A0A5K4FBD6_SCHMA Loading...

EF-hand domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FBD6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 589 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
1M36.4Very low62.1Low219 Ų21994.4 Ų94.4100%1.07948%0.484SS*.  0124.40-72.8-173.9174.100106.2H3M1-H3 PolarHBondContact O-N 2.8Å
2E36.4Very low63.6Low197 Ų19787.8 Ų87.892%0.92145%0.45SS*.  trans-57.8109.8168.3-72.4176.3164.100106.6S4E2-S4 PolarHBondContact O-N 3.38Å
3H47.8Very low64.8Low114 Ų11490 Ų9053%0.52846%0.463SS..  trans-68.288.8171.7-65.6-75000105.8M1 T5M1-H3 PolarHBondContact O-N 2.8Å; H3-T5 PolarHBondContact O-N 3.47Å
4S55Low65.9Low111 Ų11192 Ų9278%0.77648%0.475SS*.  trans-48.8110.1171.6178.20000107E2 W6E2-S4 PolarHBondContact O-N 3.38Å; S4-W6 PolarHBondContact O-N 3.49Å
5T64.5Low67.2Low64 Ų6487.9 Ų87.939%0.39345%0.451SS..  trans-63111.1176.546.40000106.4H3 N7H3-T5 PolarHBondContact O-N 3.47Å; T5-N7 PolarHBondContact O-N 3.27Å; T5-N7 VanDerWaalsContact O-N 3.16Å
6W70.9Confident68.4Low35 Ų3584.4 Ų84.413%0.13343%0.431CS..  trans-50.9122.8175.8175.960.2000109S4 P8 Y15 I537 F568 E571 S572 H575S4-W6 PolarHBondContact O-N 3.49Å; W6-P8 HydrophobicContact CD2-CB 4.48Å; W6-P8 HydrophobicContact CD2-CG 4.37Å; W6-P8 HydrophobicContact CE3-CG 4.36Å; W6-P8 HydrophobicContact CH2-CB 4.16Å; W6-P8 HydrophobicContact CH2-CG 4.29Å; W6-P8 HydrophobicContact CZ2-CB 3.79Å; W6-P8 HydrophobicContact CZ2-CG 4.3Å; W6-P8 HydrophobicContact CZ3-CG 4.33Å; W6-P8 VanDerWaalsContact O-CD 3.32Å; W6-P8 WeakPolarHBondContact O-CD 3.48Å; W6-Y15 WeakPolarHBondContact CZ2-OH 3.25Å; W6-I537 HydrophobicContact CE3-CD1 4.06Å; W6-I537 HydrophobicContact CE3-CG1 3.9Å; W6-I537 HydrophobicContact CZ3-CD1 3.77Å; W6-I537 HydrophobicContact CZ3-CG1 4.13Å; W6-F568 AromaticContact CH2-CD2 3.72Å; W6-F568 HydrophobicContact CH2-CD2 3.72Å; W6-F568 AromaticContact CH2-CE2 3.5Å; W6-F568 HydrophobicContact CH2-CE2 3.5Å; W6-F568 HydrophobicContact CZ2-CD2 4.15Å; W6-F568 HydrophobicContact CZ2-CE2 4.2Å; W6-F568 HydrophobicContact CZ3-CE2 4.06Å; W6-E571 HydrophobicContact CH2-CB 4.12Å; W6-E571 HydrophobicContact CH2-CG 4.03Å; W6-E571 HydrophobicContact CZ2-CB 3.98Å; W6-E571 VanDerWaalsContact CZ2-CD 3.48Å; W6-E571 HydrophobicContact CZ2-CG 3.57Å; W6-E571 WeakPolarHBondContact CZ2-OE1 3.32Å; W6-E571 PolarHBondContact NE1-OE1 3.22Å; W6-S572 VanDerWaalsContact CH2-OG 3.32Å; W6-S572 WeakPolarHBondContact CH2-OG 3.37Å; W6-S572 WeakPolarHBondContact CZ3-OG 3.42Å; W6-H575 AromaticContact CG-CE1 4Å
7N76.4Confident69.4Low44 Ų4479.9 Ų79.924%0.23541%0.408CS..  trans-116.586.5-178.8-173.10.9000109.9T5 I9 H541T5-N7 PolarHBondContact O-N 3.27Å; T5-N7 VanDerWaalsContact O-N 3.16Å; N7-I9 PolarHBondContact O-N 2.93Å; N7-I9 WeakPolarHBondContact OD1-CB 3.5Å; N7-I9 PolarHBondContact OD1-N 3.45Å; N7-H541 PolarHBondContact ND2-CE1 3.03Å; N7-H541 PolarHBondContact ND2-NE2 3.46Å; N7-H541 PolarHBondContact OD1-ND1 3.08Å
8P76.4Confident70.1Confident1 Ų175.7 Ų75.71%0.00639%0.387CS..G310 helixtrans-70.9-15.6-177.928.4-35.9000113.3W6 I10 H11 I12 Y15 I537 L545 F568W6-P8 HydrophobicContact CD2-CB 4.48Å; W6-P8 HydrophobicContact CD2-CG 4.37Å; W6-P8 HydrophobicContact CE3-CG 4.36Å; W6-P8 HydrophobicContact CH2-CB 4.16Å; W6-P8 HydrophobicContact CH2-CG 4.29Å; W6-P8 HydrophobicContact CZ2-CB 3.79Å; W6-P8 HydrophobicContact CZ2-CG 4.3Å; W6-P8 HydrophobicContact CZ3-CG 4.33Å; W6-P8 VanDerWaalsContact O-CD 3.32Å; W6-P8 WeakPolarHBondContact O-CD 3.48Å; P8-I10 VanDerWaalsContact C-N 3.33Å; P8-I10 PolarHBondContact O-N 3.06Å; P8-H11 CarbonylContact O-C 3.58Å; P8-H11 VanDerWaalsContact O-C 3.24Å; P8-H11 PolarHBondContact O-N 3.06Å; P8-I12 PolarHBondContact O-N 2.84Å; P8-Y15 HydrophobicContact CB-CE2 4.01Å; P8-I537 HydrophobicContact CG-CD1 4.07Å; P8-L545 HydrophobicContact CG-CD1 3.96Å; P8-L545 HydrophobicContact CG-CD2 4.23Å; P8-F568 HydrophobicContact CB-CD2 3.88Å; P8-F568 HydrophobicContact CB-CE2 3.56Å; P8-F568 HydrophobicContact CG-CD2 4.37Å; P8-F568 HydrophobicContact CG-CE2 3.55Å; P8-F568 HydrophobicContact CG-CZ 4.23Å
9I74.5Confident70.6Confident34 Ų3475.5 Ų75.517%0.17439%0.386CS..G310 helixtrans-63.8-39.8-173.2-66.8161.8000112.2N7 H11 I12 H541 E544 L545N7-I9 PolarHBondContact O-N 2.93Å; N7-I9 WeakPolarHBondContact OD1-CB 3.5Å; N7-I9 PolarHBondContact OD1-N 3.45Å; I9-H11 PolarHBondContact O-N 3.19Å; I9-I12 PolarHBondContact O-N 3.13Å; I9-H541 HydrophobicContact CD1-CB 3.4Å; I9-H541 WeakPolarHBondContact CD1-O 3.42Å; I9-H541 HydrophobicContact CG1-CB 4.49Å; I9-E544 HydrophobicContact CD1-CB 3.58Å; I9-E544 HydrophobicContact CD1-CG 4.49Å; I9-E544 VanDerWaalsContact CD1-OE2 3.25Å; I9-E544 WeakPolarHBondContact CD1-OE2 3.31Å; I9-E544 HydrophobicContact CG1-CB 4.43Å; I9-L545 HydrophobicContact CD1-CG 4.09Å; I9-L545 HydrophobicContact CG1-CD1 4.37Å; I9-L545 HydrophobicContact CG1-CD2 3.66Å; I9-L545 HydrophobicContact CG1-CG 3.59Å
10I70.1Confident70.8Confident121 Ų12175 Ų7562%0.62138%0.384SS*.G310 helixtrans-59.1-22.4179.8-56.9175.4000110.6P8P8-I10 VanDerWaalsContact C-N 3.33Å; P8-I10 PolarHBondContact O-N 3.06Å
11H74.5Confident70.9Confident98 Ų9879 Ų7945%0.45440%0.402SS..G310 helixtrans-129.624-174.8-62-47.6000112.7P8 I9 D13 N14 Y15P8-H11 CarbonylContact O-C 3.58Å; P8-H11 VanDerWaalsContact O-C 3.24Å; P8-H11 PolarHBondContact O-N 3.06Å; I9-H11 PolarHBondContact O-N 3.19Å; H11-D13 PolarHBondContact O-N 3.38Å; H11-D13 VanDerWaalsContact O-N 3.16Å; H11-N14 HydrophobicContact CB-CB 4.16Å; H11-N14 PolarHBondContact ND1-ND2 3.38Å; H11-N14 WeakPolarHBondContact O-CA 3.48Å; H11-N14 VanDerWaalsContact O-CB 3.28Å; H11-N14 WeakPolarHBondContact O-CB 3.42Å; H11-N14 PolarHBondContact O-N 3.39Å; H11-Y15 VanDerWaalsContact O-CD2 3.22Å; H11-Y15 WeakPolarHBondContact O-CD2 3.15Å; H11-Y15 PolarHBondContact O-N 2.98Å
12I80.6Confident72.6Confident16 Ų1671.1 Ų71.18%0.08236%0.362CS..G310 helixtrans-58.1-35.9-176.5-167.259.2000111.6P8 I9 N14 Y15 L545 Y565 F568P8-I12 PolarHBondContact O-N 2.84Å; I9-I12 PolarHBondContact O-N 3.13Å; I12-N14 VanDerWaalsContact C-N 3.29Å; I12-N14 PolarHBondContact O-N 3.16Å; I12-Y15 WeakPolarHBondContact O-CB 3.32Å; I12-Y15 PolarHBondContact O-N 3.01Å; I12-Y15 VanDerWaalsContact O-N 3.12Å; I12-L545 HydrophobicContact CD1-CD2 3.91Å; I12-Y565 HydrophobicContact CD1-CD1 4.08Å; I12-Y565 HydrophobicContact CD1-CE1 4.3Å; I12-Y565 HydrophobicContact CG1-CD1 4.19Å; I12-Y565 HydrophobicContact CG1-CE1 3.89Å; I12-F568 HydrophobicContact CD1-CD1 4.23Å; I12-F568 HydrophobicContact CD1-CG 4.21Å
13D79.3Confident74.3Confident116 Ų11661.8 Ų61.862%0.6232%0.319SS*.G310 helixtrans-66.3-29.1175.6-65.1-29.4000112.8H11 Y15 R16H11-D13 PolarHBondContact O-N 3.38Å; H11-D13 VanDerWaalsContact O-N 3.16Å; D13-Y15 PolarHBondContact O-N 3.06Å; D13-R16 VanDerWaalsContact O-CB 3.25Å; D13-R16 WeakPolarHBondContact O-CB 3.42Å; D13-R16 PolarHBondContact O-N 2.96Å; D13-R16 VanDerWaalsContact O-N 3.15Å
14N80.8Confident75.1Confident118 Ų11857 Ų5763%0.63130%0.298SS*.G310 helixtrans-70.5-17.8175.9-62.9-15.3000112.2H11 I12H11-N14 HydrophobicContact CB-CB 4.16Å; H11-N14 PolarHBondContact ND1-ND2 3.38Å; H11-N14 WeakPolarHBondContact O-CA 3.48Å; H11-N14 VanDerWaalsContact O-CB 3.28Å; H11-N14 WeakPolarHBondContact O-CB 3.42Å; H11-N14 PolarHBondContact O-N 3.39Å; I12-N14 VanDerWaalsContact C-N 3.29Å; I12-N14 PolarHBondContact O-N 3.16Å
15Y85.2Confident75.8Confident30 Ų3056 Ų5612%0.11828%0.284CS..G310 helixtrans-87.3-8.1174.6-69.9-73.6000113.6W6 P8 H11 I12 D13 I17 P567 F568 E571W6-Y15 WeakPolarHBondContact CZ2-OH 3.25Å; P8-Y15 HydrophobicContact CB-CE2 4.01Å; H11-Y15 VanDerWaalsContact O-CD2 3.22Å; H11-Y15 WeakPolarHBondContact O-CD2 3.15Å; H11-Y15 PolarHBondContact O-N 2.98Å; I12-Y15 WeakPolarHBondContact O-CB 3.32Å; I12-Y15 PolarHBondContact O-N 3.01Å; I12-Y15 VanDerWaalsContact O-N 3.12Å; D13-Y15 PolarHBondContact O-N 3.06Å; Y15-I17 PolarHBondContact O-N 2.78Å; Y15-P567 HydrophobicContact CD1-CB 4.03Å; Y15-P567 VanDerWaalsContact O-CD 3.32Å; Y15-P567 WeakPolarHBondContact O-CD 3.33Å; Y15-P567 WeakPolarHBondContact O-CG 3.37Å; Y15-F568 VanDerWaalsContact CD1-CA 3.45Å; Y15-F568 HydrophobicContact CD1-CB 3.76Å; Y15-F568 HydrophobicContact CD2-CB 4.17Å; Y15-F568 HydrophobicContact CD2-CD2 4.37Å; Y15-F568 HydrophobicContact CE1-CB 4.49Å; Y15-F568 HydrophobicContact CE2-CD2 4.46Å; Y15-F568 HydrophobicContact CG-CB 3.57Å; Y15-F568 HydrophobicContact CG-CG 4.46Å; Y15-E571 HydrophobicContact CE1-CB 4.34Å; Y15-E571 WeakPolarHBondContact CE1-OE2 3.31Å; Y15-E571 VanDerWaalsContact CZ-OE2 3.24Å; Y15-E571 PolarHBondContact OH-OE1 3.33Å; Y15-E571 PolarHBondContact OH-OE2 3.35Å
16R86.5Confident76.4Confident32 Ų3253.2 Ų53.212%0.12127%0.266CS..  trans-74.1127.2179.6-168.1169.9172.6-125.1-13.5109.7D13 V18 D20 E564 Y565D13-R16 VanDerWaalsContact O-CB 3.25Å; D13-R16 WeakPolarHBondContact O-CB 3.42Å; D13-R16 PolarHBondContact O-N 2.96Å; D13-R16 VanDerWaalsContact O-N 3.15Å; R16-V18 VanDerWaalsContact C-N 3.28Å; R16-V18 HydrophobicContact CG-CB 4.33Å; R16-V18 PolarHBondContact O-N 3.29Å; R16-D20 IonicContact CZ-OD1 3.55Å; R16-D20 IonicContact NH1-OD1 2.74Å; R16-D20 PolarHBondContact NH1-OD1 3.28Å; R16-D20 IonicContact NH2-OD1 2.65Å; R16-E564 WeakPolarHBondContact CA-O 3.39Å; R16-E564 WeakPolarHBondContact CD-OE1 3.11Å; R16-E564 HydrophobicContact CG-CG 3.79Å; R16-E564 IonicContact CZ-OE1 2.8Å; R16-E564 IonicContact NE-OE1 3.4Å; R16-E564 PolarHBondContact NE-OE1 2.78Å; R16-E564 IonicContact NH2-OE1 2.63Å; R16-Y565 HydrophobicContact CB-CD1 4.49Å; R16-Y565 HydrophobicContact CB-CE1 4.14Å; R16-Y565 HydrophobicContact CG-CE1 4.49Å
17I84.4Confident76.3Confident8 Ų851.9 Ų51.94%0.04126%0.262CS..SBendtrans-75.3-21.8178.867.3171.9000112.8Y15 D19 V424 A427 L428 F432 L563 E564 P567Y15-I17 PolarHBondContact O-N 2.78Å; I17-D19 PolarHBondContact O-N 2.93Å; I17-V424 HydrophobicContact CD1-CG1 4.05Å; I17-A427 HydrophobicContact CD1-CB 4.15Å; I17-A427 HydrophobicContact CG1-CB 4.02Å; I17-L428 HydrophobicContact CD1-CB 4.04Å; I17-L428 HydrophobicContact CD1-CD1 4.15Å; I17-F432 HydrophobicContact CB-CD2 4.4Å; I17-F432 HydrophobicContact CB-CE2 4.21Å; I17-F432 HydrophobicContact CG2-CD1 4.47Å; I17-F432 HydrophobicContact CG2-CE1 4.28Å; I17-F432 HydrophobicContact CG2-CE2 4.31Å; I17-F432 HydrophobicContact CG2-CZ 4.18Å; I17-L563 WeakPolarHBondContact CD1-O 2.91Å; I17-E564 PolarHBondContact N-O 3.36Å; I17-P567 HydrophobicContact CG2-CG 3.59Å
18V82.6Confident75.9Confident5 Ų553.1 Ų53.13%0.0327%0.269CS..SBendtrans-85.6112-176.9-176.90000109.1R16 D20 I23 I423 V424 A427R16-V18 VanDerWaalsContact C-N 3.28Å; R16-V18 HydrophobicContact CG-CB 4.33Å; R16-V18 PolarHBondContact O-N 3.29Å; V18-D20 PolarHBondContact O-N 3.3Å; V18-I23 HydrophobicContact CG1-CD1 3.77Å; V18-I23 HydrophobicContact CG1-CG1 3.44Å; V18-I23 VanDerWaalsContact CG1-CG1 3.44Å; V18-I423 HydrophobicContact CG1-CG2 3.7Å; V18-I423 HydrophobicContact CG2-CG2 4.05Å; V18-V424 HydrophobicContact CG2-CG2 4.28Å; V18-A427 HydrophobicContact CG2-CB 4.02Å
19D78.9Confident75.5Confident71 Ų7154.2 Ų54.238%0.3827%0.274SS..  trans-73.6120.4169.2-175.6-7.7000109.8I17 Q21 Q22 I23I17-D19 PolarHBondContact O-N 2.93Å; D19-Q21 PolarHBondContact O-N 3.32Å; D19-Q21 VanDerWaalsContact O-N 3.08Å; D19-Q21 WeakPolarHBondContact OD1-CB 3.42Å; D19-Q21 PolarHBondContact OD1-N 3.5Å; D19-Q22 HydrophobicContact CB-CB 4.27Å; D19-Q22 HydrophobicContact CB-CG 4.06Å; D19-Q22 PolarHBondContact O-N 3.38Å; D19-I23 PolarHBondContact O-N 3.39Å
20D75.1Confident75.4Confident65 Ų6552.6 Ų52.635%0.34827%0.266SS..THydrogen-bonded Turntrans-53.3-28.3176.3-93.50.6000112.7R16 V18 I23 K368R16-D20 IonicContact CZ-OD1 3.55Å; R16-D20 IonicContact NH1-OD1 2.74Å; R16-D20 PolarHBondContact NH1-OD1 3.28Å; R16-D20 IonicContact NH2-OD1 2.65Å; V18-D20 PolarHBondContact O-N 3.3Å; D20-I23 VanDerWaalsContact OD1-CD1 3.31Å; D20-I23 WeakPolarHBondContact OD1-CD1 3.46Å; D20-K368 IonicContact OD1-NZ 2.69Å; D20-K368 IonicContact OD2-NZ 3.23Å; D20-K368 PolarHBondContact OD2-NZ 3.25Å
21Q72.5Confident75.3Confident159 Ų15948.2 Ų48.274%0.74324%0.243SC*.THydrogen-bonded Turntrans-73.5-29177.4-59.3-174.27.100112.9D19D19-Q21 PolarHBondContact O-N 3.32Å; D19-Q21 VanDerWaalsContact O-N 3.08Å; D19-Q21 WeakPolarHBondContact OD1-CB 3.42Å; D19-Q21 PolarHBondContact OD1-N 3.5Å
22Q73.5Confident74.9Confident54 Ų5444 Ų4425%0.25223%0.225SC..THydrogen-bonded Turntrans-91-16.8-177.9-65-178.8-44.700113.1D19 S24 D25 Y26 E430D19-Q22 HydrophobicContact CB-CB 4.27Å; D19-Q22 HydrophobicContact CB-CG 4.06Å; D19-Q22 PolarHBondContact O-N 3.38Å; Q22-S24 PolarHBondContact O-N 2.92Å; Q22-D25 WeakPolarHBondContact O-CB 3.31Å; Q22-D25 PolarHBondContact O-N 3.45Å; Q22-Y26 HydrophobicContact CB-CD2 4.42Å; Q22-Y26 HydrophobicContact CB-CE1 4.28Å; Q22-Y26 HydrophobicContact CB-CE2 3.78Å; Q22-Y26 PolarHBondContact O-N 2.92Å; Q22-Y26 VanDerWaalsContact O-N 3.09Å; Q22-Y26 PolarHBondContact OE1-OH 3.29Å; Q22-E430 PolarHBondContact NE2-OE1 3.25Å; Q22-E430 PolarHBondContact NE2-OE2 3.39Å; Q22-E430 PolarHBondContact OE1-OE2 3.37Å
23I71.3Confident74.2Confident1 Ų144 Ų441%0.00523%0.226CC..Hα-helixtrans-50.4-45.5-179.7-69.4178000111.5V18 D19 D20 D25 Y26 E27 W367V18-I23 HydrophobicContact CG1-CD1 3.77Å; V18-I23 HydrophobicContact CG1-CG1 3.44Å; V18-I23 VanDerWaalsContact CG1-CG1 3.44Å; D19-I23 PolarHBondContact O-N 3.39Å; D20-I23 VanDerWaalsContact OD1-CD1 3.31Å; D20-I23 WeakPolarHBondContact OD1-CD1 3.46Å; I23-D25 VanDerWaalsContact C-N 3.25Å; I23-D25 PolarHBondContact O-N 3.04Å; I23-Y26 PolarHBondContact O-N 3.48Å; I23-E27 HydrophobicContact CG2-CG 4.12Å; I23-E27 WeakPolarHBondContact CG2-OE1 3.32Å; I23-E27 WeakPolarHBondContact O-CB 3.3Å; I23-E27 WeakPolarHBondContact O-CG 3.23Å; I23-E27 PolarHBondContact O-N 2.9Å; I23-W367 HydrophobicContact CD1-CB 4.45Å; I23-W367 HydrophobicContact CD1-CD2 4.42Å; I23-W367 HydrophobicContact CD1-CG 3.91Å; I23-W367 HydrophobicContact CG2-CB 3.86Å; I23-W367 HydrophobicContact CG2-CG 4.4Å
24S65.3Low73.7Confident15 Ų1540.2 Ų40.211%0.10520%0.203CC..Hα-helixtrans-62-35.6-179.555.50000112.7Q22 N28 H363Q22-S24 PolarHBondContact O-N 2.92Å; S24-N28 VanDerWaalsContact O-CB 3.27Å; S24-N28 WeakPolarHBondContact O-CB 3.46Å; S24-N28 PolarHBondContact O-N 3.49Å; S24-N28 PolarHBondContact O-ND2 2.75Å; S24-H363 WeakPolarHBondContact CB-O 3.38Å
25D69.5Low72.8Confident90 Ų9035.3 Ų35.348%0.48118%0.177SC..Hα-helixtrans-70.9-41.1179.6-65.4-16.4000110.4Q22 I23 N28 I29Q22-D25 WeakPolarHBondContact O-CB 3.31Å; Q22-D25 PolarHBondContact O-N 3.45Å; I23-D25 VanDerWaalsContact C-N 3.25Å; I23-D25 PolarHBondContact O-N 3.04Å; D25-N28 PolarHBondContact O-N 3.1Å; D25-I29 WeakPolarHBondContact O-CB 3.4Å; D25-I29 VanDerWaalsContact O-CG1 3.24Å; D25-I29 WeakPolarHBondContact O-CG1 3.42Å; D25-I29 PolarHBondContact O-N 3.26Å
26Y77.1Confident71.8Confident4 Ų436.9 Ų36.92%0.01619%0.186CC..Hα-helixtrans-64.1-46174.6-55.9-29.7000112.1Q22 I23 N28 I29 F30 I392 F422 I423 A426 A427 E430Q22-Y26 HydrophobicContact CB-CD2 4.42Å; Q22-Y26 HydrophobicContact CB-CE1 4.28Å; Q22-Y26 HydrophobicContact CB-CE2 3.78Å; Q22-Y26 PolarHBondContact O-N 2.92Å; Q22-Y26 VanDerWaalsContact O-N 3.09Å; Q22-Y26 PolarHBondContact OE1-OH 3.29Å; I23-Y26 PolarHBondContact O-N 3.48Å; Y26-N28 VanDerWaalsContact C-N 3.31Å; Y26-N28 PolarHBondContact O-N 3.19Å; Y26-I29 PolarHBondContact O-N 3.38Å; Y26-F30 WeakPolarHBondContact O-CB 3.49Å; Y26-F30 PolarHBondContact O-N 3.08Å; Y26-I392 HydrophobicContact CD1-CD1 3.84Å; Y26-I392 HydrophobicContact CD1-CG1 4.34Å; Y26-I392 HydrophobicContact CD1-CG2 4.41Å; Y26-I392 HydrophobicContact CE1-CD1 4.32Å; Y26-I392 HydrophobicContact CE1-CG2 3.9Å; Y26-F422 WeakPolarHBondContact O-CE1 3.48Å; Y26-I423 HydrophobicContact CD2-CG2 4.08Å; Y26-A426 HydrophobicContact CD1-CB 3.71Å; Y26-A426 HydrophobicContact CD2-CB 4.11Å; Y26-A426 HydrophobicContact CE1-CB 3.82Å; Y26-A426 HydrophobicContact CE2-CB 4.19Å; Y26-A426 HydrophobicContact CG-CB 3.85Å; Y26-A427 HydrophobicContact CE2-CB 4.26Å; Y26-E430 WeakPolarHBondContact CE1-OE1 3.19Å; Y26-E430 PolarHBondContact OH-OE1 3.42Å
27E69.2Low70.8Confident7 Ų737 Ų373%0.03319%0.188CC..Hα-helixtrans-59-44.2175.9-71.5178.5172.600110.8I23 F30 M31 L366 W367 I419 I423I23-E27 HydrophobicContact CG2-CG 4.12Å; I23-E27 WeakPolarHBondContact CG2-OE1 3.32Å; I23-E27 WeakPolarHBondContact O-CB 3.3Å; I23-E27 WeakPolarHBondContact O-CG 3.23Å; I23-E27 PolarHBondContact O-N 2.9Å; E27-F30 PolarHBondContact O-N 3.37Å; E27-M31 WeakPolarHBondContact O-CB 3.48Å; E27-M31 VanDerWaalsContact O-CG 3.26Å; E27-M31 WeakPolarHBondContact O-CG 3.45Å; E27-M31 PolarHBondContact O-N 3.43Å; E27-L366 VanDerWaalsContact OE1-CB 3.3Å; E27-L366 WeakPolarHBondContact OE1-CB 3.37Å; E27-L366 PolarHBondContact OE1-N 2.95Å; E27-W367 PolarHBondContact OE1-N 3.44Å; E27-I419 HydrophobicContact CB-CD1 4.39Å; E27-I419 HydrophobicContact CG-CD1 3.99Å; E27-I423 HydrophobicContact CG-CD1 3.98Å
28N66.1Low69.8Low71 Ų7138.5 Ų38.538%0.3820%0.195SC..Hα-helixtrans-63.3-43.3177.8-73.2-27.7000111.9S24 D25 Y26 M31 A32S24-N28 VanDerWaalsContact O-CB 3.27Å; S24-N28 WeakPolarHBondContact O-CB 3.46Å; S24-N28 PolarHBondContact O-N 3.49Å; S24-N28 PolarHBondContact O-ND2 2.75Å; D25-N28 PolarHBondContact O-N 3.1Å; Y26-N28 VanDerWaalsContact C-N 3.31Å; Y26-N28 PolarHBondContact O-N 3.19Å; N28-M31 PolarHBondContact O-N 3.48Å; N28-A32 WeakPolarHBondContact O-CB 3.33Å; N28-A32 PolarHBondContact O-N 2.83Å
29I69.6Low68.7Low23 Ų2340.5 Ų40.512%0.11820%0.204CC..Hα-helixtrans-66.2-43.2178.4-70.5166.6000110.7D25 Y26 A32 T33 A388 A391 I392 F422D25-I29 WeakPolarHBondContact O-CB 3.4Å; D25-I29 VanDerWaalsContact O-CG1 3.24Å; D25-I29 WeakPolarHBondContact O-CG1 3.42Å; D25-I29 PolarHBondContact O-N 3.26Å; Y26-I29 PolarHBondContact O-N 3.38Å; I29-A32 PolarHBondContact O-N 3.01Å; I29-T33 WeakPolarHBondContact O-CB 3.48Å; I29-T33 PolarHBondContact O-N 2.88Å; I29-T33 PolarHBondContact O-OG1 2.91Å; I29-A388 HydrophobicContact CG2-CB 4.01Å; I29-A388 WeakPolarHBondContact CG2-O 3.47Å; I29-A391 HydrophobicContact CD1-CB 4.43Å; I29-A391 HydrophobicContact CG2-CB 3.96Å; I29-I392 HydrophobicContact CD1-CD1 4.43Å; I29-I392 HydrophobicContact CD1-CG1 3.49Å; I29-I392 VanDerWaalsContact CD1-CG1 3.49Å; I29-I392 HydrophobicContact CG2-CD1 4.48Å; I29-I392 HydrophobicContact CG2-CG1 4.15Å; I29-F422 HydrophobicContact CG2-CZ 4.04Å
30F71.2Confident67.9Low1 Ų141 Ų410%0.00421%0.206CC..Hα-helixtrans-58-51.4175.2-179.2-92.7000110.9Y26 E27 T33 Y34 I378 L380 I419 F422Y26-F30 WeakPolarHBondContact O-CB 3.49Å; Y26-F30 PolarHBondContact O-N 3.08Å; E27-F30 PolarHBondContact O-N 3.37Å; F30-T33 PolarHBondContact O-N 3.04Å; F30-Y34 WeakPolarHBondContact O-CB 3.31Å; F30-Y34 PolarHBondContact O-N 2.83Å; F30-I378 HydrophobicContact CE1-CB 4.35Å; F30-I378 HydrophobicContact CE1-CG2 3.55Å; F30-I378 HydrophobicContact CZ-CG2 3.89Å; F30-L380 HydrophobicContact CD2-CD1 3.38Å; F30-L380 HydrophobicContact CD2-CG 3.95Å; F30-L380 HydrophobicContact CE2-CB 4.47Å; F30-L380 HydrophobicContact CE2-CD1 3.5Å; F30-L380 VanDerWaalsContact CE2-CD1 3.5Å; F30-L380 HydrophobicContact CE2-CG 3.56Å; F30-L380 HydrophobicContact CG-CD1 4.27Å; F30-L380 HydrophobicContact CZ-CD1 4.44Å; F30-L380 HydrophobicContact CZ-CG 4.11Å; F30-I419 HydrophobicContact CB-CG1 4.46Å; F30-I419 HydrophobicContact CD1-CB 4.09Å; F30-I419 HydrophobicContact CD1-CD1 3.84Å; F30-I419 HydrophobicContact CD1-CG1 3.83Å; F30-I419 HydrophobicContact CD2-CG1 4.46Å; F30-I419 HydrophobicContact CE1-CB 3.86Å; F30-I419 HydrophobicContact CE1-CD1 4.28Å; F30-I419 HydrophobicContact CE1-CG1 4.14Å; F30-I419 HydrophobicContact CE2-CB 4.37Å; F30-I419 HydrophobicContact CG-CB 4.45Å; F30-I419 HydrophobicContact CG-CD1 4.38Å; F30-I419 HydrophobicContact CG-CG1 4.01Å; F30-I419 HydrophobicContact CZ-CB 4.01Å; F30-F422 HydrophobicContact CB-CD1 3.78Å; F30-F422 HydrophobicContact CB-CE1 3.8Å; F30-F422 HydrophobicContact CB-CG 4.32Å; F30-F422 HydrophobicContact CB-CZ 4.35Å; F30-F422 HydrophobicContact CD2-CB 3.69Å; F30-F422 AromaticContact CD2-CD1 3.85Å; F30-F422 HydrophobicContact CD2-CD1 3.85Å; F30-F422 AromaticContact CD2-CD2 3.85Å; F30-F422 HydrophobicContact CD2-CD2 3.85Å; F30-F422 HydrophobicContact CD2-CE1 4.46Å; F30-F422 HydrophobicContact CD2-CE2 4.45Å; F30-F422 AromaticContact CD2-CG 3.51Å; F30-F422 HydrophobicContact CD2-CG 3.51Å; F30-F422 HydrophobicContact CE2-CB 4.03Å; F30-F422 HydrophobicContact CE2-CG 4.29Å; F30-F422 HydrophobicContact CG-CD1 4.24Å; F30-F422 HydrophobicContact CG-CG 4.34Å
31M68.8Low67.2Low28 Ų2844.3 Ų44.314%0.13822%0.215CC..Hα-helixtrans-66.6-41.2-178.8-70.6-57.5-63.200112.5E27 N28 T33 Y34 L35E27-M31 WeakPolarHBondContact O-CB 3.48Å; E27-M31 VanDerWaalsContact O-CG 3.26Å; E27-M31 WeakPolarHBondContact O-CG 3.45Å; E27-M31 PolarHBondContact O-N 3.43Å; N28-M31 PolarHBondContact O-N 3.48Å; M31-T33 VanDerWaalsContact C-N 3.33Å; M31-T33 PolarHBondContact O-N 3.24Å; M31-Y34 PolarHBondContact O-N 3.41Å; M31-L35 WeakPolarHBondContact O-CB 3.07Å; M31-L35 VanDerWaalsContact O-CG 3.25Å; M31-L35 WeakPolarHBondContact O-CG 3.37Å; M31-L35 PolarHBondContact O-N 3.49Å
32A65.6Low66.3Low9 Ų939.8 Ų39.87%0.07419%0.191CC..Hα-helixtrans-61.7-42.8175.700000111.3N28 I29 L35 I36N28-A32 WeakPolarHBondContact O-CB 3.33Å; N28-A32 PolarHBondContact O-N 2.83Å; I29-A32 PolarHBondContact O-N 3.01Å; A32-L35 PolarHBondContact O-N 2.97Å; A32-I36 WeakPolarHBondContact O-CD1 3.48Å; A32-I36 VanDerWaalsContact O-CG1 3.24Å; A32-I36 WeakPolarHBondContact O-CG1 3.47Å; A32-I36 PolarHBondContact O-N 3.27Å
33T66.9Low65.3Low17 Ų1741 Ų4110%0.10420%0.2CC..Hα-helixtrans-64.9-45.7177.6-54.90000111I29 F30 M31 L35 I36 K37 L380 D384 A388I29-T33 WeakPolarHBondContact O-CB 3.48Å; I29-T33 PolarHBondContact O-N 2.88Å; I29-T33 PolarHBondContact O-OG1 2.91Å; F30-T33 PolarHBondContact O-N 3.04Å; M31-T33 VanDerWaalsContact C-N 3.33Å; M31-T33 PolarHBondContact O-N 3.24Å; T33-L35 VanDerWaalsContact C-N 3.31Å; T33-L35 PolarHBondContact O-N 2.92Å; T33-I36 PolarHBondContact O-N 3.3Å; T33-K37 PolarHBondContact O-N 2.77Å; T33-L380 HydrophobicContact CG2-CD2 4.13Å; T33-D384 HydrophobicContact CG2-CB 3.78Å; T33-D384 WeakPolarHBondContact CG2-O 3.35Å; T33-A388 HydrophobicContact CG2-CB 3.93Å; T33-A388 WeakPolarHBondContact OG1-CB 3.36Å
34Y67Low64.4Low37 Ų3747.8 Ų47.815%0.14523%0.229CC..Hα-helixtrans-58.8-42.3175.3175.7-101.2000112.1F30 M31 K37 Q38 H350 I378F30-Y34 WeakPolarHBondContact O-CB 3.31Å; F30-Y34 PolarHBondContact O-N 2.83Å; M31-Y34 PolarHBondContact O-N 3.41Å; Y34-K37 WeakPolarHBondContact O-CB 3.43Å; Y34-K37 PolarHBondContact O-N 3.36Å; Y34-Q38 HydrophobicContact CD1-CG 4.23Å; Y34-Q38 HydrophobicContact CE1-CG 3.73Å; Y34-Q38 HydrophobicContact CE2-CG 4.14Å; Y34-Q38 VanDerWaalsContact CZ-NE2 3.3Å; Y34-Q38 WeakPolarHBondContact O-CG 3.34Å; Y34-Q38 PolarHBondContact O-N 2.75Å; Y34-Q38 PolarHBondContact OH-NE2 3.31Å; Y34-H350 AromaticContact CD1-CE1 3.9Å; Y34-H350 AromaticContact CD1-NE2 3.78Å; Y34-H350 AromaticContact CE1-CE1 3.41Å; Y34-H350 VanDerWaalsContact CE1-CE1 3.41Å; Y34-H350 WeakPolarHBondContact CE1-CE1 3.34Å; Y34-H350 AromaticContact CE1-NE2 3.49Å; Y34-H350 WeakPolarHBondContact CE1-NE2 3.47Å; Y34-I378 HydrophobicContact CD1-CD1 4.36Å; Y34-I378 HydrophobicContact CD1-CG2 4.1Å; Y34-I378 HydrophobicContact CD2-CG2 3.46Å; Y34-I378 VanDerWaalsContact CD2-CG2 3.46Å; Y34-I378 HydrophobicContact CE1-CD1 3.99Å; Y34-I378 HydrophobicContact CE1-CG1 4.47Å; Y34-I378 HydrophobicContact CE1-CG2 4.26Å; Y34-I378 HydrophobicContact CE2-CG1 4.48Å; Y34-I378 HydrophobicContact CE2-CG2 3.64Å; Y34-I378 HydrophobicContact CG-CG2 3.68Å
35L62.8Low63.3Low14 Ų1450.3 Ų50.37%0.07324%0.241CC..Hα-helixtrans-65.5-43.5177.7-76.8170.2000112.4M31 A32 T33 K37 Q38 E39 H350 I354M31-L35 WeakPolarHBondContact O-CB 3.07Å; M31-L35 VanDerWaalsContact O-CG 3.25Å; M31-L35 WeakPolarHBondContact O-CG 3.37Å; M31-L35 PolarHBondContact O-N 3.49Å; A32-L35 PolarHBondContact O-N 2.97Å; T33-L35 VanDerWaalsContact C-N 3.31Å; T33-L35 PolarHBondContact O-N 2.92Å; L35-K37 VanDerWaalsContact C-N 3.26Å; L35-K37 PolarHBondContact O-N 2.9Å; L35-Q38 PolarHBondContact O-N 3.48Å; L35-E39 WeakPolarHBondContact O-CB 3.45Å; L35-E39 PolarHBondContact O-N 3.43Å; L35-H350 VanDerWaalsContact CD2-CD2 3.5Å; L35-H350 WeakPolarHBondContact CD2-CD2 3.2Å; L35-H350 VanDerWaalsContact CD2-NE2 3.26Å; L35-H350 WeakPolarHBondContact CD2-NE2 3.24Å; L35-I354 HydrophobicContact CD1-CD1 3.96Å; L35-I354 HydrophobicContact CD2-CD1 3.98Å
36I63.3Low62.1Low63 Ų6348.7 Ų48.732%0.32324%0.237SC..Hα-helixtrans-61.4-37.9175-68.4163.8000110.4A32 T33 E39 N40A32-I36 WeakPolarHBondContact O-CD1 3.48Å; A32-I36 VanDerWaalsContact O-CG1 3.24Å; A32-I36 WeakPolarHBondContact O-CG1 3.47Å; A32-I36 PolarHBondContact O-N 3.27Å; T33-I36 PolarHBondContact O-N 3.3Å; I36-E39 WeakPolarHBondContact O-CB 3.41Å; I36-E39 PolarHBondContact O-N 3.39Å; I36-N40 VanDerWaalsContact O-CG 3.3Å; I36-N40 PolarHBondContact O-N 3.45Å; I36-N40 PolarHBondContact O-ND2 2.85Å
37K67.1Low60.4Low35 Ų3551.1 Ų51.115%0.15225%0.254CS..Hα-helixtrans-62.3-49.5173-176.9-161.5-170.9178.90111.3T33 Y34 L35 E39 N40 Y41 E381 D384T33-K37 PolarHBondContact O-N 2.77Å; Y34-K37 WeakPolarHBondContact O-CB 3.43Å; Y34-K37 PolarHBondContact O-N 3.36Å; L35-K37 VanDerWaalsContact C-N 3.26Å; L35-K37 PolarHBondContact O-N 2.9Å; K37-E39 VanDerWaalsContact C-N 3.26Å; K37-E39 PolarHBondContact O-N 3Å; K37-N40 PolarHBondContact O-N 3.33Å; K37-N40 VanDerWaalsContact O-N 3.17Å; K37-Y41 WeakPolarHBondContact O-CB 3.33Å; K37-Y41 PolarHBondContact O-N 3.5Å; K37-E381 WeakPolarHBondContact CE-OE1 2.93Å; K37-E381 VanDerWaalsContact NZ-CD 3.28Å; K37-E381 IonicContact NZ-OE1 3.9Å; K37-E381 PolarHBondContact NZ-OE1 2.87Å; K37-D384 WeakPolarHBondContact CD-OD2 3.46Å; K37-D384 WeakPolarHBondContact CE-OD2 3.48Å; K37-D384 VanDerWaalsContact CG-OD2 3.26Å; K37-D384 WeakPolarHBondContact CG-OD2 3.22Å
38Q63.5Low58.9Low39 Ų3956.1 Ų56.118%0.18228%0.278CS..Hα-helixtrans-59.2-41.8178.2-72.1-62.6-17.300110.7Y34 L35 Y41 Y42Y34-Q38 HydrophobicContact CD1-CG 4.23Å; Y34-Q38 HydrophobicContact CE1-CG 3.73Å; Y34-Q38 HydrophobicContact CE2-CG 4.14Å; Y34-Q38 VanDerWaalsContact CZ-NE2 3.3Å; Y34-Q38 WeakPolarHBondContact O-CG 3.34Å; Y34-Q38 PolarHBondContact O-N 2.75Å; Y34-Q38 PolarHBondContact OH-NE2 3.31Å; L35-Q38 PolarHBondContact O-N 3.48Å; Q38-Y41 PolarHBondContact O-N 3.29Å; Q38-Y42 HydrophobicContact CB-CD2 4.26Å; Q38-Y42 HydrophobicContact CB-CE2 4.04Å; Q38-Y42 WeakPolarHBondContact O-CB 3.3Å; Q38-Y42 WeakPolarHBondContact O-CD2 3.45Å; Q38-Y42 PolarHBondContact O-N 3.13Å
39E58.9Low57.6Low47 Ų4755.6 Ų55.622%0.2228%0.28CS..Hα-helixtrans-56.1-53.3171.7-176-177.4-178.800111.6L35 I36 K37 Y41 Y42 D43 R228L35-E39 WeakPolarHBondContact O-CB 3.45Å; L35-E39 PolarHBondContact O-N 3.43Å; I36-E39 WeakPolarHBondContact O-CB 3.41Å; I36-E39 PolarHBondContact O-N 3.39Å; K37-E39 VanDerWaalsContact C-N 3.26Å; K37-E39 PolarHBondContact O-N 3Å; E39-Y41 VanDerWaalsContact C-N 3.28Å; E39-Y41 PolarHBondContact O-N 3.47Å; E39-Y42 CarbonylContact O-C 3.55Å; E39-Y42 PolarHBondContact O-N 3.08Å; E39-Y42 VanDerWaalsContact O-N 3.12Å; E39-D43 WeakPolarHBondContact O-CB 3.44Å; E39-D43 PolarHBondContact O-N 3.18Å; E39-R228 WeakPolarHBondContact OE1-CD 2.76Å; E39-R228 IonicContact OE1-CZ 3.66Å; E39-R228 IonicContact OE1-NE 3.48Å; E39-R228 IonicContact OE1-NH1 2.67Å; E39-R228 PolarHBondContact OE1-NH1 3.35Å; E39-R228 IonicContact OE1-NH2 3.82Å
40N62Low56.2Low82 Ų8262.5 Ų62.544%0.43931%0.309SS..Hα-helixtrans-60.2-36.6178.4-72.7-32.6000112.8I36 K37 K44I36-N40 VanDerWaalsContact O-CG 3.3Å; I36-N40 PolarHBondContact O-N 3.45Å; I36-N40 PolarHBondContact O-ND2 2.85Å; K37-N40 PolarHBondContact O-N 3.33Å; K37-N40 VanDerWaalsContact O-N 3.17Å; N40-K44 WeakPolarHBondContact O-CB 3.38Å; N40-K44 VanDerWaalsContact O-CG 3.3Å; N40-K44 WeakPolarHBondContact O-CG 3.37Å; N40-K44 PolarHBondContact O-N 3.08Å
41Y59.4Low54.3Low134 Ų13470.2 Ų70.253%0.52534%0.339SS..Hα-helixtrans-67.6-43.5175.4-177.4-102000111.4K37 Q38 E39 K44 L45K37-Y41 WeakPolarHBondContact O-CB 3.33Å; K37-Y41 PolarHBondContact O-N 3.5Å; Q38-Y41 PolarHBondContact O-N 3.29Å; E39-Y41 VanDerWaalsContact C-N 3.28Å; E39-Y41 PolarHBondContact O-N 3.47Å; Y41-K44 WeakPolarHBondContact O-CB 3.5Å; Y41-K44 PolarHBondContact O-N 2.9Å; Y41-L45 HydrophobicContact CD1-CD1 3.73Å; Y41-L45 HydrophobicContact CE1-CD1 3.28Å; Y41-L45 HydrophobicContact CE1-CG 4.24Å; Y41-L45 PolarHBondContact O-N 2.95Å
42Y54.4Low52.5Low64 Ų6474.8 Ų74.825%0.25136%0.36SS..Hα-helixtrans-73.6-31.1177.8-70.9-56.7000113.3Q38 E39 L45 S46Q38-Y42 HydrophobicContact CB-CD2 4.26Å; Q38-Y42 HydrophobicContact CB-CE2 4.04Å; Q38-Y42 WeakPolarHBondContact O-CB 3.3Å; Q38-Y42 WeakPolarHBondContact O-CD2 3.45Å; Q38-Y42 PolarHBondContact O-N 3.13Å; E39-Y42 CarbonylContact O-C 3.55Å; E39-Y42 PolarHBondContact O-N 3.08Å; E39-Y42 VanDerWaalsContact O-N 3.12Å; Y42-L45 HydrophobicContact CD1-CD1 3.98Å; Y42-L45 HydrophobicContact CE1-CD1 4.36Å; Y42-L45 CarbonylContact O-C 3.2Å; Y42-L45 PolarHBondContact O-N 2.85Å; Y42-S46 WeakPolarHBondContact O-CB 3.47Å; Y42-S46 PolarHBondContact O-N 3.11Å
43D53Low51.1Low80 Ų8081.5 Ų81.543%0.42839%0.394SS..Hα-helixtrans-68.4-39.3172.6-80.2-11.5000110.6E39 S46 S47E39-D43 WeakPolarHBondContact O-CB 3.44Å; E39-D43 PolarHBondContact O-N 3.18Å; D43-S46 PolarHBondContact O-N 2.88Å; D43-S46 PolarHBondContact O-OG 3.31Å; D43-S47 WeakPolarHBondContact O-CB 3.41Å; D43-S47 PolarHBondContact O-N 3.48Å; D43-S47 PolarHBondContact O-OG 3.32Å
44K52Low49.5Very low143 Ų14386.7 Ų86.762%0.62242%0.421SS*.Hα-helixtrans-60.7-44.8168.7-79.3177.3-178.4179.10112N40 Y41 S46 S47 Q48N40-K44 WeakPolarHBondContact O-CB 3.38Å; N40-K44 VanDerWaalsContact O-CG 3.3Å; N40-K44 WeakPolarHBondContact O-CG 3.37Å; N40-K44 PolarHBondContact O-N 3.08Å; Y41-K44 WeakPolarHBondContact O-CB 3.5Å; Y41-K44 PolarHBondContact O-N 2.9Å; K44-S46 VanDerWaalsContact C-N 3.32Å; K44-S46 PolarHBondContact O-N 3.34Å; K44-S47 WeakPolarHBondContact CA-OG 3.37Å; K44-S47 PolarHBondContact O-N 3.28Å; K44-S47 PolarHBondContact O-OG 3.11Å; K44-Q48 WeakPolarHBondContact O-CB 3.48Å; K44-Q48 PolarHBondContact O-N 2.93Å
45L41.8Very low47.8Very low69 Ų6990 Ų9036%0.36144%0.441SS..Hα-helixtrans-66.2-33.3174.2-78.4167.1000112.5Y41 Y42 S49Y41-L45 HydrophobicContact CD1-CD1 3.73Å; Y41-L45 HydrophobicContact CE1-CD1 3.28Å; Y41-L45 HydrophobicContact CE1-CG 4.24Å; Y41-L45 PolarHBondContact O-N 2.95Å; Y42-L45 HydrophobicContact CD1-CD1 3.98Å; Y42-L45 HydrophobicContact CE1-CD1 4.36Å; Y42-L45 CarbonylContact O-C 3.2Å; Y42-L45 PolarHBondContact O-N 2.85Å; L45-S49 WeakPolarHBondContact O-CB 3.36Å; L45-S49 PolarHBondContact O-N 2.93Å; L45-S49 PolarHBondContact O-OG 3.24Å
46S43.8Very low46.2Very low55 Ų5595.9 Ų95.939%0.38547%0.472SS..Hα-helixtrans-71.5-38.5178.483.70000111.4Y42 D43 K44 S49 K50Y42-S46 WeakPolarHBondContact O-CB 3.47Å; Y42-S46 PolarHBondContact O-N 3.11Å; D43-S46 PolarHBondContact O-N 2.88Å; D43-S46 PolarHBondContact O-OG 3.31Å; K44-S46 VanDerWaalsContact C-N 3.32Å; K44-S46 PolarHBondContact O-N 3.34Å; S46-S49 WeakPolarHBondContact CA-OG 3.34Å; S46-S49 PolarHBondContact O-N 3.28Å; S46-S49 PolarHBondContact O-OG 3.17Å; S46-K50 PolarHBondContact O-N 3.45Å; S46-K50 VanDerWaalsContact O-N 3.08Å
47S42Very low44.9Very low55 Ų5599.4 Ų99.439%0.38549%0.49SS..Hα-helixtrans-70.6-41.7173.948.20000111.2D43 K44 K50 Y51D43-S47 WeakPolarHBondContact O-CB 3.41Å; D43-S47 PolarHBondContact O-N 3.48Å; D43-S47 PolarHBondContact O-OG 3.32Å; K44-S47 WeakPolarHBondContact CA-OG 3.37Å; K44-S47 PolarHBondContact O-N 3.28Å; K44-S47 PolarHBondContact O-OG 3.11Å; S47-K50 WeakPolarHBondContact O-CB 3.42Å; S47-K50 PolarHBondContact O-N 2.87Å; S47-K50 VanDerWaalsContact O-N 3.16Å; S47-Y51 VanDerWaalsContact O-CD2 3.24Å; S47-Y51 WeakPolarHBondContact O-CD2 3.44Å; S47-Y51 PolarHBondContact O-N 2.99Å
48Q38.5Very low43.2Very low112 Ų112104.2 Ų104.252%0.52352%0.518SS..Hα-helixtrans-64.4-38.9170.4-89.6173.9-37.900112.5K44 K50 Y51 E52K44-Q48 WeakPolarHBondContact O-CB 3.48Å; K44-Q48 PolarHBondContact O-N 2.93Å; Q48-K50 PolarHBondContact O-N 3.29Å; Q48-Y51 CarbonylContact O-C 3.32Å; Q48-Y51 WeakPolarHBondContact O-CA 3.45Å; Q48-Y51 PolarHBondContact O-N 3.02Å; Q48-E52 PolarHBondContact O-N 3.31Å
49S38.5Very low41.7Very low61 Ų61109.4 Ų109.443%0.42755%0.547SS..Hα-helixtrans-64.4-25.9175.176.20000112L45 S46 Y51 L53L45-S49 WeakPolarHBondContact O-CB 3.36Å; L45-S49 PolarHBondContact O-N 2.93Å; L45-S49 PolarHBondContact O-OG 3.24Å; S46-S49 WeakPolarHBondContact CA-OG 3.34Å; S46-S49 PolarHBondContact O-N 3.28Å; S46-S49 PolarHBondContact O-OG 3.17Å; S49-Y51 VanDerWaalsContact C-N 3.32Å; S49-L53 VanDerWaalsContact O-CB 3.3Å; S49-L53 WeakPolarHBondContact O-CB 3.26Å; S49-L53 PolarHBondContact O-N 3.17Å; S49-L53 VanDerWaalsContact O-N 3.14Å
50K39.5Very low40.2Very low167 Ų167114.2 Ų114.273%0.72657%0.574SS**Hα-helixtrans-70.5-28.2170.8-105.6-177.4178.2-179.20112.6S46 S47 Q48S46-K50 PolarHBondContact O-N 3.45Å; S46-K50 VanDerWaalsContact O-N 3.08Å; S47-K50 WeakPolarHBondContact O-CB 3.42Å; S47-K50 PolarHBondContact O-N 2.87Å; S47-K50 VanDerWaalsContact O-N 3.16Å; Q48-K50 PolarHBondContact O-N 3.29Å
51Y31.8Very low38.8Very low163 Ų163117.6 Ų117.664%0.63959%0.592SS**Hα-helixtrans-89-39.6174.5-72.4-75000112.4S47 Q48 S49 L53 L54 D55S47-Y51 VanDerWaalsContact O-CD2 3.24Å; S47-Y51 WeakPolarHBondContact O-CD2 3.44Å; S47-Y51 PolarHBondContact O-N 2.99Å; Q48-Y51 CarbonylContact O-C 3.32Å; Q48-Y51 WeakPolarHBondContact O-CA 3.45Å; Q48-Y51 PolarHBondContact O-N 3.02Å; S49-Y51 VanDerWaalsContact C-N 3.32Å; Y51-L53 VanDerWaalsContact C-N 3.27Å; Y51-L53 PolarHBondContact O-N 3.1Å; Y51-L54 CarbonylContact O-C 3.57Å; Y51-L54 WeakPolarHBondContact O-CA 3.42Å; Y51-L54 PolarHBondContact O-N 2.71Å; Y51-D55 PolarHBondContact O-N 3.31Å
52E31.4Very low37.6Very low125 Ų125119 Ų11958%0.58461%0.609SS**Hα-helixtrans-69.8-20.5177.2-77-171.816700113.8Q48 N56Q48-E52 PolarHBondContact O-N 3.31Å; E52-N56 PolarHBondContact O-ND2 3.33Å
53L35.1Very low36.4Very low150 Ų150120.2 Ų120.279%0.78563%0.627SS**Hα-helixtrans-78.4-9.6169.6-137.9124.3000112.7S49 Y51S49-L53 VanDerWaalsContact O-CB 3.3Å; S49-L53 WeakPolarHBondContact O-CB 3.26Å; S49-L53 PolarHBondContact O-N 3.17Å; S49-L53 VanDerWaalsContact O-N 3.14Å; Y51-L53 VanDerWaalsContact C-N 3.27Å; Y51-L53 PolarHBondContact O-N 3.1Å
54L33.9Very low35.4Very low126 Ų126121.6 Ų121.666%0.6664%0.642SS**Hα-helixtrans-108.8-30.7174.6-85.8153.6000112.8Y51Y51-L54 CarbonylContact O-C 3.57Å; Y51-L54 WeakPolarHBondContact O-CA 3.42Å; Y51-L54 PolarHBondContact O-N 2.71Å
55D31.3Very low34.6Very low107 Ų107119.2 Ų119.257%0.57264%0.637SS**Hα-helixtrans-91-14.2-174.9-67.6-21.6000114.1Y51 I57 N58Y51-D55 PolarHBondContact O-N 3.31Å; D55-I57 PolarHBondContact O-N 3.28Å; D55-N58 PolarHBondContact O-N 3.12Å
56N30Very low34.5Very low137 Ų137120 Ų12073%0.73364%0.644SS**THydrogen-bonded Turntrans-71.610.3169.8-83.8-50.9000114.3E52E52-N56 PolarHBondContact O-ND2 3.33Å
57I34.4Very low33.9Very low136 Ų136123.6 Ų123.670%0.69766%0.655SS**THydrogen-bonded Turntrans-97.1-15.7170.6-66.9179.7000112.4D55D55-I57 PolarHBondContact O-N 3.28Å
58N33.2Very low33.6Very low137 Ų137125 Ų12573%0.73366%0.661SS**SBendtrans-144.883.7176.3-92.8-17.3000109.7D55D55-N58 PolarHBondContact O-N 3.12Å
59D30.7Very low33.2Very low148 Ų148124 Ų12479%0.79166%0.659SS**  trans178.394.5141.7-88.1-21.5000108.4
60N28.6Very low33Very low147 Ų147125.6 Ų125.679%0.78666%0.661SS**  trans-168.392.1142.7-93.3-40000108.1D62N60-D62 PolarHBondContact O-N 2.94Å
61N31.2Very low32.5Very low154 Ų154127 Ų12782%0.82466%0.662SS**THydrogen-bonded Turntrans-44.7135.6151.4-82.3-27.8000109.3
62D33.9Very low32.6Very low164 Ų164126.2 Ų126.288%0.87766%0.664SS**THydrogen-bonded Turntrans74.424.1160.9-59.9-19.5000120.7N60N60-D62 PolarHBondContact O-N 2.94Å
63S30.1Very low32.8Very low89 Ų89126.9 Ų126.962%0.62267%0.666SS**SBendtrans-118.491.4152.977.70000110.8N65S63-N65 WeakPolarHBondContact O-CA 3.48Å; S63-N65 PolarHBondContact O-N 3.31Å
64S31.6Very low32.5Very low108 Ų108127.4 Ų127.476%0.75566%0.664SS**  trans-2.181.5166.261.80000113.8
65N35.2Very low32.2Very low94 Ų94125.9 Ų125.950%0.50366%0.664SS.*  trans-65.9138.6-172.7-166.5-2.8000107.9S63 E67 T68S63-N65 WeakPolarHBondContact O-CA 3.48Å; S63-N65 PolarHBondContact O-N 3.31Å; N65-E67 PolarHBondContact O-N 3.11Å; N65-T68 WeakPolarHBondContact O-CB 3.36Å; N65-T68 PolarHBondContact O-N 2.86Å; N65-T68 PolarHBondContact O-OG1 3.3Å
66V39.6Very low32Very low85 Ų85130.7 Ų130.752%0.51568%0.68SS.*Hα-helixtrans-56.5-23.9-176.3172.30000111.3L69 I70V66-L69 WeakPolarHBondContact O-CB 3.42Å; V66-L69 PolarHBondContact O-N 2.99Å; V66-I70 HydrophobicContact CG1-CD1 4.09Å; V66-I70 WeakPolarHBondContact O-CG1 3.29Å; V66-I70 PolarHBondContact O-N 3.31Å
67E31.9Very low32.1Very low130 Ų130130 Ų13061%0.60769%0.685SS**Hα-helixtrans-66.2-31.4171.2-87.5166.1145.900114.7N65 L69 I70 R71N65-E67 PolarHBondContact O-N 3.11Å; E67-L69 VanDerWaalsContact C-N 3.33Å; E67-I70 PolarHBondContact O-N 3.46Å; E67-R71 PolarHBondContact O-N 3.17Å
68T36.1Very low31.9Very low85 Ų85131 Ų13152%0.52169%0.692SS.*Hα-helixtrans-67.5-38.3172.7-42.30000110.7N65 R71 Q72N65-T68 WeakPolarHBondContact O-CB 3.36Å; N65-T68 PolarHBondContact O-N 2.86Å; N65-T68 PolarHBondContact O-OG1 3.3Å; T68-R71 PolarHBondContact O-N 3.08Å; T68-Q72 PolarHBondContact O-N 3.27Å; T68-Q72 VanDerWaalsContact O-N 3.1Å
69L28.3Very low31.8Very low90 Ų90132 Ų13247%0.47170%0.698SS.*Hα-helixtrans-64.9-42.6172.4-90.9159.4000111.2V66 E67 R71 Q72 F73V66-L69 WeakPolarHBondContact O-CB 3.42Å; V66-L69 PolarHBondContact O-N 2.99Å; E67-L69 VanDerWaalsContact C-N 3.33Å; L69-R71 PolarHBondContact O-N 3.44Å; L69-Q72 PolarHBondContact O-N 2.85Å; L69-F73 HydrophobicContact CD2-CE2 4.27Å; L69-F73 WeakPolarHBondContact O-CD2 3.45Å
70I34.6Very low31.8Very low95 Ų95131.7 Ų131.749%0.48770%0.696SS.*Hα-helixtrans-64.9-39.9177.9-67.7166.7000111.4V66 E67 F73V66-I70 HydrophobicContact CG1-CD1 4.09Å; V66-I70 WeakPolarHBondContact O-CG1 3.29Å; V66-I70 PolarHBondContact O-N 3.31Å; E67-I70 PolarHBondContact O-N 3.46Å; I70-F73 PolarHBondContact O-N 2.9Å
71R29.6Very low31.8Very low197 Ų197131 Ų13174%0.74369%0.692SS**Hα-helixtrans-68.3-34177.3-78.8-173-179.9-177.42.4113.4E67 T68 L69 F73 Q74E67-R71 PolarHBondContact O-N 3.17Å; T68-R71 PolarHBondContact O-N 3.08Å; L69-R71 PolarHBondContact O-N 3.44Å; R71-F73 PolarHBondContact O-N 2.95Å; R71-Q74 PolarHBondContact O-N 3.39Å
72Q33.8Very low31.8Very low146 Ų146130.5 Ų130.568%0.68269%0.69SS**Hα-helixtrans-62.6-20.6174.5-89.3-175.5-19.800113.4T68 L69T68-Q72 PolarHBondContact O-N 3.27Å; T68-Q72 VanDerWaalsContact O-N 3.1Å; L69-Q72 PolarHBondContact O-N 2.85Å
73F35Very low31.6Very low140 Ų140130 Ų13061%0.61469%0.687SS**THydrogen-bonded Turntrans-95.5-3179.8-71.4-67.1000115.2L69 I70 R71L69-F73 HydrophobicContact CD2-CE2 4.27Å; L69-F73 WeakPolarHBondContact O-CD2 3.45Å; I70-F73 PolarHBondContact O-N 2.9Å; R71-F73 PolarHBondContact O-N 2.95Å
74Q28.9Very low31.7Very low161 Ų161131.5 Ų131.575%0.75270%0.698SS**SBendtrans-984.2178.3-75.8-170.8-1700115.1R71R71-Q74 PolarHBondContact O-N 3.39Å
75S28.5Very low31.7Very low94 Ų94133 Ų13366%0.65770%0.697SS**SBendtrans-12281180-47.40000111.5
76K27.6Very low31.6Very low208 Ų208134.8 Ų134.890%0.90471%0.707SS**  trans172.852.1151.8-94.5161.9-173.4-176.60109.7
77S30.5Very low31.3Very low121 Ų121137.1 Ų137.185%0.84672%0.716SS**SBendtrans-83.7118157.3-176.30000106.5N79S77-N79 PolarHBondContact O-N 3.1Å
78N30.2Very low31.3Very low157 Ų157138 Ų13884%0.8473%0.725SS**  trans-41.9121-171.1-86.4-23.3000114.3N80N78-N80 PolarHBondContact O-N 2.97Å
79N30.9Very low31.3Very low159 Ų159139.8 Ų139.885%0.8574%0.741SS**  trans-54.7113.2143.5-102.1-14.2000108.3S77S77-N79 PolarHBondContact O-N 3.1Å
80N31.3Very low31.4Very low141 Ų141142.7 Ų142.775%0.75476%0.757SS**  trans-163.4105.8142.9-104.8-10.7000109.7N78N78-N80 PolarHBondContact O-N 2.97Å
81N29Very low31.4Very low133 Ų133143.6 Ų143.671%0.71177%0.772SS**  trans46.2109.4130.3-78.5-0.7000117.5
82N30.5Very low31.5Very low144 Ų144141.1 Ų141.177%0.7777%0.773SS**  176.1136.175.7-99.4-21000111.7S84N82-S84 PolarHBondContact O-N 3.33Å
83N29.6Very low31.3Very low154 Ų154141.4 Ų141.482%0.82478%0.779SS**  trans-18.5122.3153.8-91.6-15.2000115.7
84S32.5Very low31Very low120 Ų120138.9 Ų138.984%0.83978%0.779SS**  trans-14190.9141.9-173.60000108.7N82 N86N82-S84 PolarHBondContact O-N 3.33Å; S84-N86 PolarHBondContact O-N 3.49Å
85N31.1Very low31Very low140 Ų140137.9 Ų137.975%0.74978%0.779SS**  trans-52.3128.4153.6-90-18.7000109.1
86N32.9Very low31Very low131 Ų131140.6 Ų140.670%0.70179%0.786SS**  179.3126.1110.6-114.6-15.6000112.7S84S84-N86 PolarHBondContact O-N 3.49Å
87N34.5Very low31.1Very low134 Ų134136 Ų13672%0.71778%0.781SS**  trans54.397.8135.3-63.2-12.5000120.2
88N31.2Very low31Very low148 Ų148138 Ų13879%0.79178%0.782SS**  39.6105.7105.1-152.321.4000116.7
89S35.7Very low31.1Very low123 Ų123134.2 Ų134.286%0.8678%0.78SS**  trans-156.3108.5142-80.20000110.1
90N31Very low31Very low151 Ų151133.8 Ų133.881%0.80778%0.778SS**  trans-64121.8170.6-148.69.5000109.1
91S36Very low31.2Very low113 Ų113134.9 Ų134.979%0.7978%0.783SS**  trans-154.592.4160.4-173.60000109.7
92N30Very low31.4Very low146 Ų146135.4 Ų135.478%0.78179%0.786SS**  trans-64.3124.1152.6-81-29.7000108.3
93N31.3Very low31.6Very low151 Ų151136.4 Ų136.481%0.80779%0.791SS**  trans-167.7116130.1-119.7-10.5000113.8
94S28.2Very low31.6Very low88 Ų88136 Ų13662%0.61579%0.789SS**  57.1106.7120.7-151.10000120
95N28.9Very low31.6Very low139 Ų139137.2 Ų137.274%0.74379%0.792SS**  62.9141.4119.8-67.7-20.7000122.7
96N27.1Very low31.5Very low152 Ų152137.1 Ų137.181%0.81379%0.791SS**  trans76.7114.9153.1-66.3-13000116.7
97S30.9Very low31.6Very low112 Ų112138.9 Ų138.978%0.78380%0.801SS**  177.2148.875.1-165.20000111.7
98N28.6Very low31.3Very low162 Ų162135.8 Ų135.887%0.86680%0.801SS**  trans-19.6135.9162.9-74.9-25.3000118.2
99G31.5Very low31.1Very low78 Ų78135.5 Ų135.580%0.80480%0.799SS**  trans-151.181.2159.200000110.5
100N29.7Very low31Very low150 Ų150135.3 Ų135.380%0.80280%0.798SS**  trans-50.9132.3163.8-94.4-22000110.2
101N34.8Very low30.9Very low164 Ų164134 Ų13488%0.87779%0.791SS**  trans-144.395150.2-99.1-18.8000109.3
102N33.3Very low30.8Very low143 Ų143136.7 Ų136.777%0.76580%0.796SS**  trans-62.8134.1154.3-80.4-25.8000108.3
103N34.5Very low30.7Very low165 Ų165136.8 Ų136.888%0.88280%0.797SS**  trans-151.9104.7142-96-21.2000109.6
104N30.7Very low30.6Very low146 Ų146138.8 Ų138.878%0.78180%0.798SS**  trans-54.5134.6157.8-90.7-21.4000110
105T31.7Very low30.7Very low145 Ų145140.6 Ų140.689%0.8981%0.806SS**  trans-131.9100.3144.732.20000107.6
106N28.5Very low30.7Very low138 Ų138141.9 Ų141.974%0.73881%0.813SS**  trans-69.6139.2152.9-88.8-23.3000107.8
107D34.7Very low30.8Very low169 Ų169138.5 Ų138.590%0.90481%0.813SS**  trans171.2124.4142.9-83.5-20.8000104.5
108G29Very low30.7Very low69 Ų69140.7 Ų140.771%0.71182%0.816SS**  cis12791.337.600000106.7
109N27.6Very low30.9Very low142 Ų142141.2 Ų141.276%0.75982%0.819SS**  trans53.3114.4136.7-145.515.2000119.6
110S32.8Very low30.6Very low119 Ų119140.9 Ų140.983%0.83282%0.816SS**  trans-150.4105.5145.2-166.50000111.1
111N29.6Very low30.5Very low123 Ų123139.6 Ų139.666%0.65882%0.817SS**  trans-60.9141.9164.8-77.3-39.5000110.8
112N33.9Very low30.2Very low169 Ų169137.3 Ų137.390%0.90481%0.814SS**  trans-145.4114.5143.5-96.8-28.8000111.4
113N28.2Very low30Very low149 Ų149137.3 Ų137.380%0.79781%0.814SS**  trans-75.3169.3169.3-90-31.1000111.7
114K28.7Very low29.9Very low193 Ų193137.3 Ų137.384%0.83981%0.814SS**  trans103.4134.7163.3-66-173.4171.4174.70114
115T30.5Very low29.9Very low126 Ų126137 Ų13777%0.77381%0.812SS**  cis-166.9155.67.3100000109.5
116N28.2Very low30Very low166 Ų166137.9 Ų137.989%0.88881%0.811SS**  trans-47.5143.5170.3-68.5-26000115.3
117G29.7Very low29.9Very low80 Ų80138 Ų13883%0.82581%0.812SS**  trans-135.392.9159.600000109.8
118N28.7Very low29.7Very low159 Ų159137.9 Ų137.985%0.8581%0.81SS**  trans-64.9132.4162.3-96.8-13.1000108.7
119N33.3Very low29.6Very low172 Ų172140.8 Ų140.892%0.9281%0.809SS**  trans-141105153.6-90.4-18.4000107.9
120G24.5Very low29.3Very low71 Ų71138.7 Ų138.773%0.73280%0.804SS**  trans-99.3144.1161.200000109.6
121C27.4Very low29Very low123 Ų123137.7 Ų137.783%0.83180%0.798SS**  trans-166.498.8155.9-94.70000104
122S28.8Very low28.7Very low117 Ų117139.5 Ų139.582%0.81881%0.807SS**  70.2111.183.8-65.90000113.7
123N28.9Very low28.5Very low142 Ų142136.6 Ų136.676%0.75980%0.8SS**  trans3.1132.3150.6-82.9-9000118
124D33.6Very low28.4Very low166 Ų166136.4 Ų136.489%0.88880%0.799SS**  trans-142.6113131.2-88.2-37.1000110.3
125N29.1Very low28.5Very low138 Ų138134.6 Ų134.674%0.73880%0.799SS**  trans-65133.9156.9-79.4-33.6000107.7
126N33.8Very low28.2Very low164 Ų164132.8 Ų132.888%0.87779%0.791SS**  trans-153.8131.5142.5-98-31000112.2
127N26.4Very low28.2Very low141 Ų141130.9 Ų130.975%0.75478%0.781SS**  trans-110.6113.5-168.8179.423.5000106.2
128I32Very low28Very low167 Ų167133.1 Ų133.186%0.85677%0.774SS**  trans-140.996.8168.1-59.5-176.4000110.6
129N25.7Very low28Very low129 Ų129132.6 Ų132.669%0.6977%0.771SS**  trans-8.7141.5141.9-95.9-11000121.1
130C22.3Very low27.7Very low98 Ų98129.3 Ų129.366%0.66276%0.762SS**  69.6114.1126.3-67.30000121.9
131S25.2Very low27.7Very low99 Ų99130.1 Ų130.169%0.69276%0.756SS**  84.4136.8117.7-53.50000120.2
132N24.1Very low27.7Very low160 Ų160130.8 Ų130.886%0.85675%0.751SS**  trans72.3117.3155.6-68.9-10.5000118
133S29.4Very low27.6Very low109 Ų109131.6 Ų131.676%0.76275%0.747SS**  -178.4125.492.371.30000112.7
134N25.7Very low27.4Very low145 Ų145134.1 Ų134.178%0.77575%0.751SS**  trans4.6128135.4-59.1-18.9000118.9
135N30.5Very low26.9Very low154 Ų154131.7 Ų131.782%0.82475%0.747SS**  178.2111.3121.4-106.3-19.1000107.6
136S24.9Very low26.6Very low89 Ų89132.4 Ų132.462%0.62275%0.751SS**  67.4129.974.6-163.90000114.1
137N28Very low26.2Very low126 Ų126129.5 Ų129.567%0.67474%0.743SS**  trans94.8100.6156.4-69.4-21.4000120.4
138N26.9Very low26.1Very low126 Ų126130.5 Ų130.567%0.67475%0.749SS**  80124.6107.6-70.9-10.2000120.9
139N27Very low25.6Very low149 Ų149126.1 Ų126.180%0.79775%0.745SS**  99127.1129.9-74.3-8.4000119.8
140S28.1Very low25.5Very low103 Ų103125 Ų12572%0.7275%0.747SS**  trans106.493.5132.5-146.90000116.6
141S24.5Very low25.6Very low87 Ų87131.1 Ų131.161%0.60876%0.758SS**  21.3120124.649.60000118.4
142N26.2Very low25.6Very low137 Ų137133 Ų13373%0.73376%0.76SS**  170.1142.6100.5-95.1-28.1000113.4
143N27.1Very low25.7Very low135 Ų135132.4 Ų132.472%0.72276%0.757SS**  trans69.4105.6145.4-67.1-19.8000121.4
144K24Very low25.4Very low195 Ų195134 Ų13485%0.84876%0.757SS**  19117.6117.3-81.1174.5174.1169.90115.4
145S24.7Very low25.4Very low114 Ų114134.9 Ų134.980%0.79776%0.756SS**  168.7130.998.239.90000112.4
146N22.9Very low25.2Very low153 Ų153135.6 Ų135.682%0.81875%0.752SS**  trans28.4118.6146.1-68.2-9000119.7
147S23.9Very low25.1Very low104 Ų104138.2 Ų138.273%0.72776%0.759SS**  15513298.455.80000112.2
148N24.5Very low25Very low162 Ų162140.8 Ų140.887%0.86677%0.765SS**  trans55.372.2149-59.8-11.1000118.7
149G22.4Very low24.8Very low75 Ų75141.8 Ų141.877%0.77377%0.769SS**  trans-100.591.5157.600000109.5
150S23.1Very low24.6Very low105 Ų105142 Ų14273%0.73476%0.764SS**  43.597.295.6-154.60000112.5N152S150-N152 PolarHBondContact O-N 3.3Å
151Y24.6Very low24.4Very low226 Ų226144.2 Ų144.289%0.88677%0.768SS**  trans-52.5103.8173.1-81.1-89.8000110.1N153Y151-N153 PolarHBondContact O-N 2.91Å; Y151-N153 VanDerWaalsContact O-N 3.08Å
152N24.9Very low24.6Very low139 Ų139146 Ų14674%0.74377%0.771SS**  trans-66105.2170.6-92.7-23.1000108.8S150 N154S150-N152 PolarHBondContact O-N 3.3Å; N152-N154 PolarHBondContact O-N 3.48Å
153N26Very low24.6Very low148 Ų148146.6 Ų146.679%0.79177%0.774SS**  trans-61.6100.7162-78.7-31.3000108.2Y151 E155Y151-N153 PolarHBondContact O-N 2.91Å; Y151-N153 VanDerWaalsContact O-N 3.08Å; N153-E155 VanDerWaalsContact C-N 3.27Å; N153-E155 PolarHBondContact O-N 2.91Å
154N24.4Very low24.5Very low141 Ų141149.4 Ų149.475%0.75478%0.783SS**  trans-6488.8168-74.2-22.3000109N152 K156N152-N154 PolarHBondContact O-N 3.48Å; N154-K156 PolarHBondContact O-N 3.4Å
155E25.1Very low24.6Very low165 Ų165146.7 Ų146.777%0.77178%0.783SS**  trans-63.186.2160.7-78.2179.7156.600108N153 N157N153-E155 VanDerWaalsContact C-N 3.27Å; N153-E155 PolarHBondContact O-N 2.91Å; E155-N157 VanDerWaalsContact C-N 3.34Å; E155-N157 PolarHBondContact O-N 3.44Å
156K25.8Very low24.6Very low168 Ų168150.5 Ų150.573%0.7379%0.785SS**  trans-6797.3164-76.9-175.1176.5-178.10107.7N154 F158N154-K156 PolarHBondContact O-N 3.4Å; K156-F158 VanDerWaalsContact C-N 3.33Å; K156-F158 HydrophobicContact CB-CD2 4.22Å; K156-F158 HydrophobicContact CB-CE2 4.09Å; K156-F158 HydrophobicContact CD-CE2 4.43Å; K156-F158 PolarHBondContact O-N 3.23Å
157N23.8Very low24.7Very low145 Ų145150.9 Ų150.978%0.77579%0.786SS**  trans-61.394.5163.7-77.4-30.8000108.4E155 I159E155-N157 VanDerWaalsContact C-N 3.34Å; E155-N157 PolarHBondContact O-N 3.44Å; N157-I159 PolarHBondContact O-N 3.36Å; N157-I159 VanDerWaalsContact O-N 3.17Å
158F24.6Very low24.7Very low179 Ų179153.7 Ų153.779%0.78579%0.792SS**  trans-73.7100.7164.6-85.4-87.6000107.7K156K156-F158 VanDerWaalsContact C-N 3.33Å; K156-F158 HydrophobicContact CB-CD2 4.22Å; K156-F158 HydrophobicContact CB-CE2 4.09Å; K156-F158 HydrophobicContact CD-CE2 4.43Å; K156-F158 PolarHBondContact O-N 3.23Å
159I22.9Very low24.7Very low148 Ų148151.5 Ų151.576%0.75979%0.789SS**  trans-69.7125.2161.9-65.5174000106N157 D161N157-I159 PolarHBondContact O-N 3.36Å; N157-I159 VanDerWaalsContact O-N 3.17Å; I159-D161 PolarHBondContact O-N 2.93Å
160H23.7Very low24.7Very low152 Ų152155.1 Ų155.170%0.70479%0.79SS**  trans-64.7111.9176.7-95.2-93.6000110D162H160-D162 IonicContact CE1-OD1 3.93Å; H160-D162 IonicContact CG-OD1 3.94Å; H160-D162 IonicContact ND1-OD1 3Å; H160-D162 PolarHBondContact ND1-OD1 3Å; H160-D162 IonicContact ND1-OD2 3.93Å
161D24Very low24.7Very low150 Ų150157.6 Ų157.680%0.80280%0.795SS**  trans-9688.9157.7-84-31.9000108.4I159 N163I159-D161 PolarHBondContact O-N 2.93Å; D161-N163 PolarHBondContact O-N 3.19Å; D161-N163 VanDerWaalsContact O-N 3.13Å
162D28.2Very low24.8Very low126 Ų126156.2 Ų156.267%0.67479%0.794SS**THydrogen-bonded Turntrans-80.333.7179.6-81-11.9000113H160H160-D162 IonicContact CE1-OD1 3.93Å; H160-D162 IonicContact CG-OD1 3.94Å; H160-D162 IonicContact ND1-OD1 3Å; H160-D162 PolarHBondContact ND1-OD1 3Å; H160-D162 IonicContact ND1-OD2 3.93Å
163N26.1Very low24.7Very low149 Ų149158 Ų15880%0.79780%0.798SS**THydrogen-bonded Turntrans-113.24.8-171.3-82.9-15000117.9D161D161-N163 PolarHBondContact O-N 3.19Å; D161-N163 VanDerWaalsContact O-N 3.13Å
164E25.6Very low24.7Very low193 Ų193159.6 Ų159.690%0.90280%0.798SS**SBendtrans-107.914-179.8-93.8-171.5166.200117.1
165T24.9Very low24.5Very low138 Ų138159.7 Ų159.785%0.84779%0.793SS**  trans-12747.2172.151.20000113.3
166K25.4Very low24.4Very low194 Ų194160.6 Ų160.684%0.84380%0.795SS**  trans-114.173.2157.3-84-176.2-179.8172.10109.5
167L24.6Very low24.3Very low162 Ų162158.8 Ų158.885%0.84879%0.787SS**SBendtrans-158.1125.3155.8-104142.8000108.5
168I24.8Very low24.2Very low163 Ų163158.5 Ų158.584%0.83679%0.785SS**SBendtrans77.259.8169-34.4175.1000115.8
169S23.4Very low24.4Very low115 Ų115156.1 Ų156.180%0.80478%0.779SS**  trans-134.154155.473.10000111.4
170N22.7Very low24.5Very low152 Ų152157.5 Ų157.581%0.81378%0.776SS**SBendtrans-108.4118.5166.4-81.6-8.7000109.2
171N23.9Very low24.8Very low156 Ų156155.5 Ų155.583%0.83478%0.779SS**  trans61.275.6159.1-60.2-11000117.5
172K25.9Very low24.8Very low198 Ų198153.9 Ų153.986%0.86178%0.775SS**  trans-124.2108.4141.2-75.6-174.6179.5176.30107.7K174K172-K174 PolarHBondContact O-N 2.86Å
173E22.9Very low24.6Very low177 Ų177155.8 Ų155.883%0.82779%0.785SS**  trans-51.6100.5173.4-69.1175.3150.900109H175E173-H175 PolarHBondContact O-N 2.88Å
174K25.4Very low24.6Very low181 Ų181156.1 Ų156.179%0.78778%0.782SS**  trans-72.594.7173.7-72.5-176.7177-176.10107.3K172 F176K172-K174 PolarHBondContact O-N 2.86Å; K174-F176 VanDerWaalsContact O-CD2 3.28Å; K174-F176 WeakPolarHBondContact O-CD2 3.45Å; K174-F176 PolarHBondContact O-N 3.34Å; K174-F176 VanDerWaalsContact O-N 3.12Å
175H21.4Very low24.6Very low142 Ų142157.2 Ų157.266%0.65778%0.784SS**  trans-64.9109.9170.1-96.6-83.3000109.4E173 F177E173-H175 PolarHBondContact O-N 2.88Å; H175-F177 HydrophobicContact CB-CE2 4Å; H175-F177 HydrophobicContact CB-CZ 4.33Å; H175-F177 WeakPolarHBondContact O-CD2 3.45Å; H175-F177 PolarHBondContact O-N 3.26Å
176F22Very low24.7Very low185 Ų185157.3 Ų157.381%0.81178%0.778SS**  trans-68.9119174.6-71.9-92.6000109.9K174K174-F176 VanDerWaalsContact O-CD2 3.28Å; K174-F176 WeakPolarHBondContact O-CD2 3.45Å; K174-F176 PolarHBondContact O-N 3.34Å; K174-F176 VanDerWaalsContact O-N 3.12Å
177F24.1Very low24.6Very low130 Ų130155.2 Ų155.257%0.5778%0.775SS**  trans-105.8117.7169.6-69.6-73.6000108.9H175 F199H175-F177 HydrophobicContact CB-CE2 4Å; H175-F177 HydrophobicContact CB-CZ 4.33Å; H175-F177 WeakPolarHBondContact O-CD2 3.45Å; H175-F177 PolarHBondContact O-N 3.26Å; F177-F199 HydrophobicContact CD1-CE2 4.49Å; F177-F199 AromaticContact CD1-CZ 3.67Å; F177-F199 HydrophobicContact CD1-CZ 3.67Å; F177-F199 HydrophobicContact CE1-CE2 4.3Å; F177-F199 AromaticContact CE1-CZ 3.59Å; F177-F199 HydrophobicContact CE1-CZ 3.59Å
178I22.1Very low24.8Very low139 Ų139154.3 Ų154.371%0.71377%0.772SS**  trans-112.5112.5173.6-60173.5000106.1Y180I178-Y180 HydrophobicContact CG2-CD2 4.39Å; I178-Y180 HydrophobicContact CG2-CE2 4.48Å
179L28Very low24.9Very low128 Ų128156.5 Ų156.567%0.6778%0.775SS**  trans-130.9118.8173.7-73.5167.1000109
180Y24.6Very low25.3Very low177 Ų177157.9 Ų157.969%0.69477%0.773SS**  trans-107.5133163.1-80.9-83.1000108.5I178I178-Y180 HydrophobicContact CG2-CD2 4.39Å; I178-Y180 HydrophobicContact CG2-CE2 4.48Å
181S30.3Very low25.9Very low110 Ų110159.6 Ų159.677%0.76978%0.777SS**  trans-107.2113.1160.31780000107.1
182T23.9Very low26.5Very low117 Ų117161.7 Ų161.772%0.71878%0.778SS**  trans-157.8121.3149.944.40000108.5Q184T182-Q184 PolarHBondContact O-N 2.77Å
183N25Very low26.8Very low166 Ų166157.9 Ų157.989%0.88877%0.767SS**  trans-4799.2172-65.2-42.8000111.9
184Q25.1Very low27.3Very low155 Ų155158.7 Ų158.772%0.72477%0.768SS**  trans-136.7115.3158.9-77-170.9-11.900109.2T182 I186T182-Q184 PolarHBondContact O-N 2.77Å; Q184-I186 PolarHBondContact O-N 3.1Å; Q184-I186 VanDerWaalsContact O-N 3.12Å
185K26.5Very low27.7Very low217 Ų217156.5 Ų156.594%0.94376%0.764SS**  trans-56109.9167.7-72176.6175.6178.20108
186I26.3Very low28.2Very low140 Ų140155.5 Ų155.572%0.71876%0.76SS**  trans-127.5109.8169.7-62.6179000108.2Q184Q184-I186 PolarHBondContact O-N 3.1Å; Q184-I186 VanDerWaalsContact O-N 3.12Å
187N23.8Very low28.6Very low149 Ų149155.4 Ų155.480%0.79776%0.755SS**  trans-57137.4163.9-84.9-25.3000110.5
188N27.9Very low29Very low144 Ų144158.2 Ų158.277%0.7776%0.763SS**  trans47.5102.1153.9-68.2-15.7000118.3
189K28.8Very low29.7Very low208 Ų208156 Ų15690%0.90475%0.749SS**  -165.6112.9117-103.6168.4-175.1-1780110.3E191K189-E191 PolarHBondContact O-N 2.92Å
190N31.4Very low29.9Very low144 Ų144153 Ų15377%0.7774%0.736SS**THydrogen-bonded Turntrans-61.1113.5175.5-75.3-34.6000110.3
191E34Very low30.4Very low189 Ų189150.9 Ų150.988%0.88373%0.73SS**THydrogen-bonded Turntrans-173.2-10140.1-109.3178.6175.800113.9K189K189-E191 PolarHBondContact O-N 2.92Å
192K36.9Very low30.9Very low200 Ų200152.1 Ų152.187%0.8772%0.722SS**SBendtrans-90.96.6174.3-80.8-175.6176.6178.60116
193L32.5Very low31.4Very low118 Ų118151.9 Ų151.962%0.61872%0.715SS**THydrogen-bonded Turntrans-81.4-12.5-174.1-114.294.7000116N195 H196L193-N195 VanDerWaalsContact C-N 3.34Å; L193-N195 PolarHBondContact O-N 3.08Å; L193-H196 HydrophobicContact CG-CB 4.41Å; L193-H196 WeakPolarHBondContact O-CB 3.3Å; L193-H196 PolarHBondContact O-N 3Å; L193-H196 VanDerWaalsContact O-N 3.17Å
194K33.1Very low32.2Very low194 Ų194150.2 Ų150.284%0.84370%0.701SS**Hα-helixtrans-67.5-31.1-178.4-81.4-175.3177.3177.40113.5H196K194-H196 VanDerWaalsContact C-N 3.31Å
195N34.2Very low33Very low135 Ų135147.5 Ų147.572%0.72269%0.688SS**Hα-helixtrans-78.1-18.8175.6-70.6-6.6000112.9L193L193-N195 VanDerWaalsContact C-N 3.34Å; L193-N195 PolarHBondContact O-N 3.08Å
196H30.7Very low33.5Very low120 Ų120141.9 Ų141.956%0.55667%0.668SS**Hα-helixtrans-71.9-32.5-176.7-158.3-43.3000112.3L193 K194 T200L193-H196 HydrophobicContact CG-CB 4.41Å; L193-H196 WeakPolarHBondContact O-CB 3.3Å; L193-H196 PolarHBondContact O-N 3Å; L193-H196 VanDerWaalsContact O-N 3.17Å; K194-H196 VanDerWaalsContact C-N 3.31Å; H196-T200 PolarHBondContact O-OG1 3.28Å; H196-T200 VanDerWaalsContact O-OG1 3.04Å
197Y31.6Very low34Very low183 Ų183140.9 Ų140.972%0.71866%0.66SS**Hα-helixtrans-75.2-32.5-174.7-170.3-100.2000113.3
198Y33.3Very low34.7Very low190 Ų190138 Ų13875%0.74564%0.643SS**Hα-helixtrans-74.7-29.1179.7-137.8-87000112.2K202Y198-K202 PolarHBondContact O-N 3.39Å
199F35Very low35.1Very low91 Ų91135 Ų13540%0.39963%0.627SS.*Hα-helixtrans-77.1-46.7-174.1-110.6-84.8000114F177 K201 K202 L203F177-F199 HydrophobicContact CD1-CE2 4.49Å; F177-F199 AromaticContact CD1-CZ 3.67Å; F177-F199 HydrophobicContact CD1-CZ 3.67Å; F177-F199 HydrophobicContact CE1-CE2 4.3Å; F177-F199 AromaticContact CE1-CZ 3.59Å; F177-F199 HydrophobicContact CE1-CZ 3.59Å; F199-K201 PolarHBondContact O-N 3.32Å; F199-K202 PolarHBondContact O-N 3.04Å; F199-K202 VanDerWaalsContact O-N 3.16Å; F199-L203 PolarHBondContact O-N 2.98Å
200T33.4Very low35.2Very low67 Ų67128.2 Ų128.241%0.41160%0.6SS.*Hα-helixtrans-62.8-30.2177.2190000111.9H196 K204H196-T200 PolarHBondContact O-OG1 3.28Å; H196-T200 VanDerWaalsContact O-OG1 3.04Å; T200-K204 WeakPolarHBondContact O-CB 3.44Å; T200-K204 WeakPolarHBondContact O-CG 3.43Å; T200-K204 PolarHBondContact O-N 2.81Å
201K35.8Very low35.4Very low131 Ų131127.4 Ų127.457%0.5760%0.596SS**Hα-helixtrans-67.6-39.1176.3-162174.7-177.1179.10112F199 Q205F199-K201 PolarHBondContact O-N 3.32Å; K201-Q205 WeakPolarHBondContact O-CG 3.49Å; K201-Q205 PolarHBondContact O-N 2.96Å
202K40.3Very low35.6Very low137 Ų137125.5 Ų125.560%0.59659%0.587SS**Hα-helixtrans-80.4-34.8-178.7-146.8177.5-172.1-177.70112.9Y198 F199 Q205 L206Y198-K202 PolarHBondContact O-N 3.39Å; F199-K202 PolarHBondContact O-N 3.04Å; F199-K202 VanDerWaalsContact O-N 3.16Å; K202-Q205 WeakPolarHBondContact O-CB 3.35Å; K202-Q205 PolarHBondContact O-N 3Å; K202-L206 PolarHBondContact O-N 3.32Å
203L34.7Very low35.5Very low111 Ų111120.5 Ų120.558%0.58157%0.569SS**Hα-helixtrans-63.1-44.1169.7-90162.6000111.3F199 Q205 L206 E207F199-L203 PolarHBondContact O-N 2.98Å; L203-Q205 VanDerWaalsContact C-N 3.32Å; L203-Q205 PolarHBondContact O-N 2.79Å; L203-L206 PolarHBondContact O-N 3.49Å; L203-E207 WeakPolarHBondContact O-CB 3.47Å; L203-E207 PolarHBondContact O-N 2.96Å
204K42.1Very low35.6Very low132 Ų132120.6 Ų120.657%0.57458%0.579SS**Hα-helixtrans-62.3-38.3171.6-79.6-174.3174-171.40112.3T200 E207 I208T200-K204 WeakPolarHBondContact O-CB 3.44Å; T200-K204 WeakPolarHBondContact O-CG 3.43Å; T200-K204 PolarHBondContact O-N 2.81Å; K204-E207 PolarHBondContact O-N 3.36Å; K204-I208 VanDerWaalsContact O-CB 3.27Å; K204-I208 WeakPolarHBondContact O-CB 3.14Å; K204-I208 VanDerWaalsContact O-CD1 3.27Å; K204-I208 WeakPolarHBondContact O-CD1 3.42Å; K204-I208 WeakPolarHBondContact O-CG1 3.42Å; K204-I208 PolarHBondContact O-N 3.47Å
205Q40.9Very low36Very low98 Ų98113.9 Ų113.946%0.45855%0.552SS.*Hα-helixtrans-63.4-40.1173.2-80.7175.9-1600112.3K201 K202 L203 I208 I209K201-Q205 WeakPolarHBondContact O-CG 3.49Å; K201-Q205 PolarHBondContact O-N 2.96Å; K202-Q205 WeakPolarHBondContact O-CB 3.35Å; K202-Q205 PolarHBondContact O-N 3Å; L203-Q205 VanDerWaalsContact C-N 3.32Å; L203-Q205 PolarHBondContact O-N 2.79Å; Q205-I208 PolarHBondContact O-N 3.31Å; Q205-I209 WeakPolarHBondContact O-CB 3.41Å; Q205-I209 WeakPolarHBondContact O-CD1 3.3Å; Q205-I209 WeakPolarHBondContact O-CG1 3.24Å; Q205-I209 PolarHBondContact O-N 2.89Å
206L36.8Very low36.6Very low99 Ų99111.4 Ų111.452%0.51854%0.539SS..Hα-helixtrans-67.9-39.6176.5-113.4150.9000111.8K202 L203 I209 L210K202-L206 PolarHBondContact O-N 3.32Å; L203-L206 PolarHBondContact O-N 3.49Å; L206-I209 PolarHBondContact O-N 3.17Å; L206-L210 HydrophobicContact CD2-CD1 4.08Å; L206-L210 VanDerWaalsContact O-CB 3.28Å; L206-L210 WeakPolarHBondContact O-CB 3.29Å; L206-L210 VanDerWaalsContact O-CD1 3.3Å; L206-L210 WeakPolarHBondContact O-CD1 3.44Å; L206-L210 PolarHBondContact O-N 3Å
207E37.3Very low37.3Very low118 Ų118114.7 Ų114.755%0.55155%0.547SS*.Hα-helixtrans-65.6-39173.3-168.2177-167.400111.6L203 K204 L210 N211L203-E207 WeakPolarHBondContact O-CB 3.47Å; L203-E207 PolarHBondContact O-N 2.96Å; K204-E207 PolarHBondContact O-N 3.36Å; E207-L210 WeakPolarHBondContact O-CB 3.45Å; E207-L210 PolarHBondContact O-N 2.94Å; E207-N211 WeakPolarHBondContact O-CB 3.36Å; E207-N211 PolarHBondContact O-N 3.21Å; E207-N211 PolarHBondContact O-ND2 3.42Å
208I38.4Very low37.8Very low89 Ų89110.5 Ų110.546%0.45653%0.53SS..Hα-helixtrans-65.4-45.9173-70.4161.6000110.2K204 Q205 L210 N211 E212K204-I208 VanDerWaalsContact O-CB 3.27Å; K204-I208 WeakPolarHBondContact O-CB 3.14Å; K204-I208 VanDerWaalsContact O-CD1 3.27Å; K204-I208 WeakPolarHBondContact O-CD1 3.42Å; K204-I208 WeakPolarHBondContact O-CG1 3.42Å; K204-I208 PolarHBondContact O-N 3.47Å; Q205-I208 PolarHBondContact O-N 3.31Å; I208-L210 VanDerWaalsContact C-N 3.27Å; I208-L210 PolarHBondContact O-N 3.01Å; I208-N211 PolarHBondContact O-N 2.92Å; I208-E212 HydrophobicContact CG2-CG 4.39Å; I208-E212 WeakPolarHBondContact O-CB 3.42Å; I208-E212 WeakPolarHBondContact O-CG 3.27Å; I208-E212 PolarHBondContact O-N 3.4Å
209I37Very low38.5Very low82 Ų82103.6 Ų103.642%0.42151%0.508SS..Hα-helixtrans-63.3-35.5174.7-68.4162.9000110.7Q205 L206 E212 L213Q205-I209 WeakPolarHBondContact O-CB 3.41Å; Q205-I209 WeakPolarHBondContact O-CD1 3.3Å; Q205-I209 WeakPolarHBondContact O-CG1 3.24Å; Q205-I209 PolarHBondContact O-N 2.89Å; L206-I209 PolarHBondContact O-N 3.17Å; I209-E212 PolarHBondContact O-N 2.91Å; I209-L213 HydrophobicContact CG2-CD1 3.73Å; I209-L213 HydrophobicContact CG2-CG 4.37Å; I209-L213 WeakPolarHBondContact O-CB 3.49Å; I209-L213 WeakPolarHBondContact O-CG 3.39Å; I209-L213 PolarHBondContact O-N 2.83Å
210L30.5Very low39.2Very low64 Ų64103.2 Ų103.234%0.33551%0.507SS..Hα-helixtrans-67.9-33175.2-114.191000112.9L206 E207 I208L206-L210 HydrophobicContact CD2-CD1 4.08Å; L206-L210 VanDerWaalsContact O-CB 3.28Å; L206-L210 WeakPolarHBondContact O-CB 3.29Å; L206-L210 VanDerWaalsContact O-CD1 3.3Å; L206-L210 WeakPolarHBondContact O-CD1 3.44Å; L206-L210 PolarHBondContact O-N 3Å; E207-L210 WeakPolarHBondContact O-CB 3.45Å; E207-L210 PolarHBondContact O-N 2.94Å; I208-L210 VanDerWaalsContact C-N 3.27Å; I208-L210 PolarHBondContact O-N 3.01Å
211N35.6Very low40.1Very low128 Ų128104.4 Ų104.468%0.68451%0.507SS*.Hα-helixtrans-82.6-30.5176-74-25.6000111.6E207 I208E207-N211 WeakPolarHBondContact O-CB 3.36Å; E207-N211 PolarHBondContact O-N 3.21Å; E207-N211 PolarHBondContact O-ND2 3.42Å; I208-N211 PolarHBondContact O-N 2.92Å
212E38.2Very low40.8Very low148 Ų148100.3 Ų100.369%0.69249%0.488SS*.Hα-helixtrans-74.7-39.3175.6-79.2-179.7167.300112.2I208 I209 S214I208-E212 HydrophobicContact CG2-CG 4.39Å; I208-E212 WeakPolarHBondContact O-CB 3.42Å; I208-E212 WeakPolarHBondContact O-CG 3.27Å; I208-E212 PolarHBondContact O-N 3.4Å; I209-E212 PolarHBondContact O-N 2.91Å; E212-S214 PolarHBondContact O-N 3.03Å
213L34.9Very low41.6Very low95 Ų9596 Ų9650%0.49747%0.471SS..SBendtrans-84.196.3170.2-63.9168.9000106.9I209 L215I209-L213 HydrophobicContact CG2-CD1 3.73Å; I209-L213 HydrophobicContact CG2-CG 4.37Å; I209-L213 WeakPolarHBondContact O-CB 3.49Å; I209-L213 WeakPolarHBondContact O-CG 3.39Å; I209-L213 PolarHBondContact O-N 2.83Å; L213-L215 HydrophobicContact CB-CD1 3.97Å; L213-L215 HydrophobicContact CB-CD2 4.43Å; L213-L215 HydrophobicContact CB-CG 3.78Å; L213-L215 PolarHBondContact O-N 3.44Å
214S34.1Very low42.8Very low120 Ų12095.1 Ų95.184%0.83946%0.464SS*.  trans-61.261.6168.862.50000111.1E212 D216E212-S214 PolarHBondContact O-N 3.03Å; S214-D216 PolarHBondContact O-N 3.47Å
215L41.1Very low43.6Very low53 Ų5389.4 Ų89.428%0.27744%0.443SS..  trans-68.4129.2-175.9-76166.9000107.2L213 T219 Q220 I223L213-L215 HydrophobicContact CB-CD1 3.97Å; L213-L215 HydrophobicContact CB-CD2 4.43Å; L213-L215 HydrophobicContact CB-CG 3.78Å; L213-L215 PolarHBondContact O-N 3.44Å; L215-T219 HydrophobicContact CB-CG2 4.25Å; L215-T219 HydrophobicContact CD1-CG2 4.08Å; L215-T219 HydrophobicContact CD2-CG2 3.63Å; L215-T219 HydrophobicContact CG-CG2 4.17Å; L215-Q220 HydrophobicContact CB-CG 4.43Å; L215-I223 HydrophobicContact CD1-CD1 4.13Å
216D46.7Very low44.5Very low84 Ų8485.9 Ų85.945%0.44943%0.427SS..  trans-55.6155.4175.685.780.5000109.7S214 Y218 T219 Q220S214-D216 PolarHBondContact O-N 3.47Å; D216-Y218 PolarHBondContact O-N 3.22Å; D216-Y218 WeakPolarHBondContact OD1-CA 3.46Å; D216-Y218 WeakPolarHBondContact OD1-CB 3.22Å; D216-Y218 WeakPolarHBondContact OD1-CD2 3.35Å; D216-Y218 PolarHBondContact OD1-N 2.98Å; D216-T219 PolarHBondContact O-N 3.32Å; D216-T219 PolarHBondContact OD1-N 3Å; D216-T219 PolarHBondContact OD2-OG1 3.39Å; D216-Q220 PolarHBondContact O-N 3.4Å
217R45.8Very low45.9Very low189 Ų18986.8 Ų86.871%0.71343%0.428SS*.Hα-helixtrans-52.7-27.7-175.3-167.3-179.7-173-172.33.3113.7K221R217-K221 WeakPolarHBondContact O-CG 3.45Å; R217-K221 PolarHBondContact O-N 2.9Å; R217-K221 VanDerWaalsContact O-N 3.11Å
218Y42.9Very low47.2Very low95 Ų9587.5 Ų87.537%0.37343%0.426SS..Hα-helixtrans-76.3-40.6177.3-65.5-81.9000112.1D216 Q220 K221 Y222 A391D216-Y218 PolarHBondContact O-N 3.22Å; D216-Y218 WeakPolarHBondContact OD1-CA 3.46Å; D216-Y218 WeakPolarHBondContact OD1-CB 3.22Å; D216-Y218 WeakPolarHBondContact OD1-CD2 3.35Å; D216-Y218 PolarHBondContact OD1-N 2.98Å; Y218-Q220 VanDerWaalsContact C-N 3.26Å; Y218-Q220 PolarHBondContact O-N 3.28Å; Y218-K221 PolarHBondContact O-N 2.97Å; Y218-Y222 WeakPolarHBondContact O-CB 3.18Å; Y218-Y222 PolarHBondContact O-N 3.34Å; Y218-A391 HydrophobicContact CE1-CB 3.72Å; Y218-A391 HydrophobicContact CE2-CB 4.29Å; Y218-A391 VanDerWaalsContact CZ-CB 3.46Å; Y218-A391 WeakPolarHBondContact OH-CA 3.36Å; Y218-A391 WeakPolarHBondContact OH-CB 3.33Å
219T47.3Very low48.4Very low44 Ų4484.6 Ų84.627%0.2741%0.412SS..Hα-helixtrans-64-37175.4-55.20000111.1L215 D216 Y222 I223L215-T219 HydrophobicContact CB-CG2 4.25Å; L215-T219 HydrophobicContact CD1-CG2 4.08Å; L215-T219 HydrophobicContact CD2-CG2 3.63Å; L215-T219 HydrophobicContact CG-CG2 4.17Å; D216-T219 PolarHBondContact O-N 3.32Å; D216-T219 PolarHBondContact OD1-N 3Å; D216-T219 PolarHBondContact OD2-OG1 3.39Å; T219-Y222 WeakPolarHBondContact O-CB 3.37Å; T219-Y222 PolarHBondContact O-N 2.97Å; T219-I223 HydrophobicContact CG2-CD1 4.26Å; T219-I223 VanDerWaalsContact O-CG1 3.31Å; T219-I223 WeakPolarHBondContact O-CG1 3.33Å; T219-I223 PolarHBondContact O-N 3Å
220Q49.3Very low49.9Very low83 Ų8382.5 Ų82.539%0.38840%0.402SS..Hα-helixtrans-60.4-50.4170.5-72.7-178.5-16.200111.9L215 D216 Y218 Y222 I223 E224L215-Q220 HydrophobicContact CB-CG 4.43Å; D216-Q220 PolarHBondContact O-N 3.4Å; Y218-Q220 VanDerWaalsContact C-N 3.26Å; Y218-Q220 PolarHBondContact O-N 3.28Å; Q220-Y222 VanDerWaalsContact C-N 3.29Å; Q220-Y222 PolarHBondContact O-N 3.5Å; Q220-I223 PolarHBondContact O-N 3.48Å; Q220-I223 VanDerWaalsContact O-N 3.15Å; Q220-E224 WeakPolarHBondContact O-CG 3.28Å; Q220-E224 PolarHBondContact O-N 2.93Å
221K51.8Low51.8Low92 Ų9284.9 Ų84.940%0.441%0.414SS..Hα-helixtrans-60-36.7176.6-79.8-174.4172.7-167.20113.3R217 Y218 E224 G225R217-K221 WeakPolarHBondContact O-CG 3.45Å; R217-K221 PolarHBondContact O-N 2.9Å; R217-K221 VanDerWaalsContact O-N 3.11Å; Y218-K221 PolarHBondContact O-N 2.97Å; K221-E224 PolarHBondContact O-N 3.46Å; K221-G225 PolarHBondContact O-N 3.35Å
222Y52Low53.6Low46 Ų4681.3 Ų81.318%0.1839%0.393CS..Hα-helixtrans-62.4-46174.9165.7-95000111.2Y218 T219 Q220 G225 L226 I354Y218-Y222 WeakPolarHBondContact O-CB 3.18Å; Y218-Y222 PolarHBondContact O-N 3.34Å; T219-Y222 WeakPolarHBondContact O-CB 3.37Å; T219-Y222 PolarHBondContact O-N 2.97Å; Q220-Y222 VanDerWaalsContact C-N 3.29Å; Q220-Y222 PolarHBondContact O-N 3.5Å; Y222-G225 PolarHBondContact O-N 3.36Å; Y222-L226 HydrophobicContact CD1-CD1 3.86Å; Y222-L226 HydrophobicContact CD2-CD1 4.45Å; Y222-L226 HydrophobicContact CE1-CD1 3.26Å; Y222-L226 HydrophobicContact CE2-CD1 3.96Å; Y222-L226 HydrophobicContact CG-CD1 4.42Å; Y222-L226 PolarHBondContact O-N 3.08Å; Y222-I354 HydrophobicContact CE2-CG2 3.67Å; Y222-I354 WeakPolarHBondContact OH-CG2 3.47Å; Y222-I354 PolarHBondContact OH-O 3.47Å
223I56.1Low55.3Low47 Ų4774.9 Ų74.924%0.24136%0.364CS..Hα-helixtrans-63.8-43.1176.3-67.3167.5000110.5L215 T219 Q220 G225 L226 Q227L215-I223 HydrophobicContact CD1-CD1 4.13Å; T219-I223 HydrophobicContact CG2-CD1 4.26Å; T219-I223 VanDerWaalsContact O-CG1 3.31Å; T219-I223 WeakPolarHBondContact O-CG1 3.33Å; T219-I223 PolarHBondContact O-N 3Å; Q220-I223 PolarHBondContact O-N 3.48Å; Q220-I223 VanDerWaalsContact O-N 3.15Å; I223-G225 VanDerWaalsContact C-N 3.32Å; I223-G225 PolarHBondContact O-N 3.22Å; I223-L226 WeakPolarHBondContact O-CB 3.38Å; I223-L226 PolarHBondContact O-N 3.3Å; I223-Q227 HydrophobicContact CG2-CG 4.44Å; I223-Q227 VanDerWaalsContact O-CG 3.32Å; I223-Q227 WeakPolarHBondContact O-CG 3.24Å; I223-Q227 PolarHBondContact O-N 3.02Å
224E59.6Low57.1Low91 Ų9175.3 Ų75.343%0.42536%0.363SS..Hα-helixtrans-59.6-42.4174.6-72176.6-175.900111.7Q220 K221 Q227 R228Q220-E224 WeakPolarHBondContact O-CG 3.28Å; Q220-E224 PolarHBondContact O-N 2.93Å; K221-E224 PolarHBondContact O-N 3.46Å; E224-Q227 PolarHBondContact O-N 3.14Å; E224-R228 WeakPolarHBondContact O-CG 3.42Å; E224-R228 PolarHBondContact O-N 2.78Å
225G59Low59.1Low12 Ų1276 Ų7612%0.12435%0.351CS..Hα-helixtrans-61.2-45.9175.800000112.4K221 Y222 I223 R228 V229K221-G225 PolarHBondContact O-N 3.35Å; Y222-G225 PolarHBondContact O-N 3.36Å; I223-G225 VanDerWaalsContact C-N 3.32Å; I223-G225 PolarHBondContact O-N 3.22Å; G225-R228 PolarHBondContact O-N 3.32Å; G225-V229 WeakPolarHBondContact O-CG2 3.41Å; G225-V229 PolarHBondContact O-N 3.39Å
226L60.7Low60.8Low24 Ų2473.5 Ų73.513%0.12634%0.338CS..Hα-helixtrans-58.3-47.2173.2-98151.8000112.6Y222 I223 R228 V229 D230 I354 R355Y222-L226 HydrophobicContact CD1-CD1 3.86Å; Y222-L226 HydrophobicContact CD2-CD1 4.45Å; Y222-L226 HydrophobicContact CE1-CD1 3.26Å; Y222-L226 HydrophobicContact CE2-CD1 3.96Å; Y222-L226 HydrophobicContact CG-CD1 4.42Å; Y222-L226 PolarHBondContact O-N 3.08Å; I223-L226 WeakPolarHBondContact O-CB 3.38Å; I223-L226 PolarHBondContact O-N 3.3Å; L226-R228 VanDerWaalsContact C-N 3.28Å; L226-R228 PolarHBondContact O-N 3.03Å; L226-V229 WeakPolarHBondContact O-CB 3.42Å; L226-V229 PolarHBondContact O-N 2.85Å; L226-D230 VanDerWaalsContact O-CG 3.28Å; L226-D230 PolarHBondContact O-N 2.99Å; L226-I354 HydrophobicContact CD1-CG2 3.62Å; L226-I354 HydrophobicContact CD2-CB 4.29Å; L226-I354 HydrophobicContact CD2-CG2 3.61Å; L226-I354 HydrophobicContact CG-CG2 3.71Å; L226-R355 HydrophobicContact CD2-CG 4.16Å
227Q64.9Low62.4Low119 Ų11974.7 Ų74.756%0.55634%0.341SS*.Hα-helixtrans-60.9-38178.6-74.3175.2-5.600111.9I223 E224 D230 L231I223-Q227 HydrophobicContact CG2-CG 4.44Å; I223-Q227 VanDerWaalsContact O-CG 3.32Å; I223-Q227 WeakPolarHBondContact O-CG 3.24Å; I223-Q227 PolarHBondContact O-N 3.02Å; E224-Q227 PolarHBondContact O-N 3.14Å; Q227-D230 PolarHBondContact O-N 3.22Å; Q227-L231 WeakPolarHBondContact O-CB 3.42Å; Q227-L231 PolarHBondContact O-N 3.13Å
228R65Low64Low133 Ų13372.2 Ų72.250%0.50233%0.333SS..Hα-helixtrans-70.3-39.5176.3-70.5177.5-168.7-146.518.3112.4E39 E224 G225 L226 D230 L231 K232E39-R228 WeakPolarHBondContact OE1-CD 2.76Å; E39-R228 IonicContact OE1-CZ 3.66Å; E39-R228 IonicContact OE1-NE 3.48Å; E39-R228 IonicContact OE1-NH1 2.67Å; E39-R228 PolarHBondContact OE1-NH1 3.35Å; E39-R228 IonicContact OE1-NH2 3.82Å; E224-R228 WeakPolarHBondContact O-CG 3.42Å; E224-R228 PolarHBondContact O-N 2.78Å; G225-R228 PolarHBondContact O-N 3.32Å; L226-R228 VanDerWaalsContact C-N 3.28Å; L226-R228 PolarHBondContact O-N 3.03Å; R228-D230 VanDerWaalsContact C-N 3.32Å; R228-L231 PolarHBondContact O-N 2.78Å; R228-K232 WeakPolarHBondContact O-CB 3.48Å; R228-K232 PolarHBondContact O-N 3.46Å
229V63.4Low65.6Low27 Ų2771 Ų7116%0.16433%0.331CS..Hα-helixtrans-58.4-46.8172.8163.80000110.4G225 L226 K232 C233 I347G225-V229 WeakPolarHBondContact O-CG2 3.41Å; G225-V229 PolarHBondContact O-N 3.39Å; L226-V229 WeakPolarHBondContact O-CB 3.42Å; L226-V229 PolarHBondContact O-N 2.85Å; V229-K232 PolarHBondContact O-N 3.39Å; V229-C233 PolarHBondContact O-N 3.01Å; V229-I347 HydrophobicContact CG1-CG2 3.6Å
230D68.6Low67.3Low38 Ų3870 Ų7020%0.20332%0.324CS..Hα-helixtrans-61.1-47.7177-70.5-24.1000111.7L226 Q227 R228 K232 C233 E234 R355L226-D230 VanDerWaalsContact O-CG 3.28Å; L226-D230 PolarHBondContact O-N 2.99Å; Q227-D230 PolarHBondContact O-N 3.22Å; R228-D230 VanDerWaalsContact C-N 3.32Å; D230-K232 PolarHBondContact O-N 2.82Å; D230-C233 WeakPolarHBondContact O-CB 3.34Å; D230-C233 PolarHBondContact O-N 3.44Å; D230-C233 VanDerWaalsContact O-N 3.14Å; D230-E234 WeakPolarHBondContact O-CG 3.41Å; D230-E234 PolarHBondContact O-N 3.12Å; D230-R355 IonicContact OD1-CZ 2.89Å; D230-R355 VanDerWaalsContact OD1-CZ 3.23Å; D230-R355 IonicContact OD1-NE 3.24Å; D230-R355 IonicContact OD1-NH2 2.74Å; D230-R355 PolarHBondContact OD1-NH2 2.78Å; D230-R355 IonicContact OD2-CZ 2.74Å; D230-R355 IonicContact OD2-NE 4Å; D230-R355 IonicContact OD2-NH2 2.81Å; D230-R355 PolarHBondContact OD2-NH2 3.34Å
231L70.7Confident69Low114 Ų11472.9 Ų72.960%0.59734%0.335SS*.Hα-helixtrans-58.9-37.3176.2-172.971.9000111.9Q227 R228 E234 K235Q227-L231 WeakPolarHBondContact O-CB 3.42Å; Q227-L231 PolarHBondContact O-N 3.13Å; R228-L231 PolarHBondContact O-N 2.78Å; L231-E234 PolarHBondContact O-N 2.87Å; L231-K235 WeakPolarHBondContact O-CB 3.47Å; L231-K235 PolarHBondContact O-N 2.97Å
232K73.3Confident70.4Confident54 Ų5471.4 Ų71.424%0.23533%0.334CS..Hα-helixtrans-69.4-41.3177-169.2175.6178-159.80111.5R228 V229 D230 E234 K235 L236 E343 I347R228-K232 WeakPolarHBondContact O-CB 3.48Å; R228-K232 PolarHBondContact O-N 3.46Å; V229-K232 PolarHBondContact O-N 3.39Å; D230-K232 PolarHBondContact O-N 2.82Å; K232-E234 VanDerWaalsContact C-N 3.32Å; K232-E234 PolarHBondContact O-N 2.87Å; K232-K235 PolarHBondContact O-N 3.44Å; K232-L236 HydrophobicContact CG-CD1 4.31Å; K232-L236 WeakPolarHBondContact O-CB 3.29Å; K232-L236 WeakPolarHBondContact O-CG 3.43Å; K232-L236 PolarHBondContact O-N 3.35Å; K232-E343 VanDerWaalsContact CE-OE1 3.29Å; K232-E343 WeakPolarHBondContact CE-OE1 3.43Å; K232-E343 IonicContact NZ-OE1 3.29Å; K232-E343 PolarHBondContact NZ-OE1 2.97Å; K232-I347 HydrophobicContact CD-CD1 3.88Å; K232-I347 HydrophobicContact CG-CD1 4.28Å
233C73.2Confident71.8Confident13 Ų1371.1 Ų71.19%0.08834%0.335CS..Hα-helixtrans-58-43.9172.3-80.30000111.7V229 D230 L236 E237 I347V229-C233 PolarHBondContact O-N 3.01Å; D230-C233 WeakPolarHBondContact O-CB 3.34Å; D230-C233 PolarHBondContact O-N 3.44Å; D230-C233 VanDerWaalsContact O-N 3.14Å; C233-L236 PolarHBondContact O-N 2.99Å; C233-E237 WeakPolarHBondContact O-CB 3.48Å; C233-E237 PolarHBondContact O-N 3.41Å; C233-I347 WeakPolarHBondContact SG-CG2 3.42Å
234E74.6Confident73Confident103 Ų10374.7 Ų74.748%0.48135%0.348SS..Hα-helixtrans-63-44.2175.9-70.8-179.7175.500112.1D230 L231 K232 L236 E237 Y238D230-E234 WeakPolarHBondContact O-CG 3.41Å; D230-E234 PolarHBondContact O-N 3.12Å; L231-E234 PolarHBondContact O-N 2.87Å; K232-E234 VanDerWaalsContact C-N 3.32Å; K232-E234 PolarHBondContact O-N 2.87Å; E234-L236 PolarHBondContact O-N 3.31Å; E234-E237 WeakPolarHBondContact O-CB 3.32Å; E234-E237 PolarHBondContact O-N 3.07Å; E234-Y238 PolarHBondContact O-N 2.94Å
235K76.2Confident74.2Confident134 Ų13474.9 Ų74.958%0.58335%0.353SS*.Hα-helixtrans-61.7-43.7176-172.5-179178.2-1760111.7L231 K232 E237 Y238 M239L231-K235 WeakPolarHBondContact O-CB 3.47Å; L231-K235 PolarHBondContact O-N 2.97Å; K232-K235 PolarHBondContact O-N 3.44Å; K235-E237 VanDerWaalsContact C-N 3.31Å; K235-E237 PolarHBondContact O-N 3.33Å; K235-Y238 PolarHBondContact O-N 3.43Å; K235-M239 HydrophobicContact CG-CE 4.31Å; K235-M239 WeakPolarHBondContact O-CG 3.3Å; K235-M239 PolarHBondContact O-N 3.01Å
236L75.4Confident75.3Confident2 Ų277 Ų771%0.0136%0.363CS..Hα-helixtrans-61.2-41.3175-78.1165.2000111.1K232 C233 E234 M239 M240 L340 E343 K344 I347K232-L236 HydrophobicContact CG-CD1 4.31Å; K232-L236 WeakPolarHBondContact O-CB 3.29Å; K232-L236 WeakPolarHBondContact O-CG 3.43Å; K232-L236 PolarHBondContact O-N 3.35Å; C233-L236 PolarHBondContact O-N 2.99Å; E234-L236 PolarHBondContact O-N 3.31Å; L236-M239 HydrophobicContact CB-CE 4.5Å; L236-M239 HydrophobicContact CD2-CE 3.6Å; L236-M239 HydrophobicContact CG-CE 4.1Å; L236-M239 PolarHBondContact O-N 3.48Å; L236-M240 WeakPolarHBondContact O-CB 3.4Å; L236-M240 WeakPolarHBondContact O-CG 3.49Å; L236-M240 PolarHBondContact O-N 2.79Å; L236-L340 HydrophobicContact CD2-CD2 3.78Å; L236-E343 HydrophobicContact CD1-CG 4.13Å; L236-E343 HydrophobicContact CD2-CG 4.44Å; L236-K344 HydrophobicContact CB-CB 4.23Å; L236-K344 HydrophobicContact CD1-CB 4.14Å; L236-I347 HydrophobicContact CD1-CD1 3.59Å
237E80.5Confident76.4Confident109 Ų10977.4 Ų77.451%0.50937%0.365SS..Hα-helixtrans-63.8-41.8177.2-173156.8-176.600112.7C233 E234 K235 M240 K241 K344C233-E237 WeakPolarHBondContact O-CB 3.48Å; C233-E237 PolarHBondContact O-N 3.41Å; E234-E237 WeakPolarHBondContact O-CB 3.32Å; E234-E237 PolarHBondContact O-N 3.07Å; K235-E237 VanDerWaalsContact C-N 3.31Å; K235-E237 PolarHBondContact O-N 3.33Å; E237-M240 PolarHBondContact O-N 3.02Å; E237-K241 WeakPolarHBondContact O-CB 3.38Å; E237-K241 PolarHBondContact O-N 3.47Å; E237-K344 IonicContact OE1-NZ 2.57Å; E237-K344 IonicContact OE2-NZ 3.51Å; E237-K344 PolarHBondContact OE2-NZ 2.92Å
238Y78.9Confident77.2Confident136 Ų13675.1 Ų75.153%0.53336%0.362SS..Hα-helixtrans-61.2-45.5172.7178.4-94.9000112.3E234 K235 K241 T242E234-Y238 PolarHBondContact O-N 2.94Å; K235-Y238 PolarHBondContact O-N 3.43Å; Y238-K241 PolarHBondContact O-N 3.48Å; Y238-T242 PolarHBondContact O-N 3.39Å; Y238-T242 PolarHBondContact O-OG1 3.16Å
239M77.9Confident78.2Confident70 Ų7074.6 Ų74.635%0.34537%0.369SS..Hα-helixtrans-63.8-43177-69.8-173.8-59.600111.5K235 L236 K241 T242 M243 L340K235-M239 HydrophobicContact CG-CE 4.31Å; K235-M239 WeakPolarHBondContact O-CG 3.3Å; K235-M239 PolarHBondContact O-N 3.01Å; L236-M239 HydrophobicContact CB-CE 4.5Å; L236-M239 HydrophobicContact CD2-CE 3.6Å; L236-M239 HydrophobicContact CG-CE 4.1Å; L236-M239 PolarHBondContact O-N 3.48Å; M239-K241 VanDerWaalsContact C-N 3.34Å; M239-K241 PolarHBondContact O-N 2.8Å; M239-T242 PolarHBondContact O-N 3.29Å; M239-M243 VanDerWaalsContact O-CB 3.24Å; M239-M243 WeakPolarHBondContact O-CB 3.25Å; M239-M243 PolarHBondContact O-N 2.99Å; M239-L340 HydrophobicContact CB-CD1 4.23Å; M239-L340 HydrophobicContact CE-CD2 4.26Å
240M83Confident79.1Confident24 Ų2475.9 Ų75.912%0.11837%0.372CS..Hα-helixtrans-61.9-40.1175.7-75.5177.166.500112L236 E237 M243 K244 W337 L340 R341 K344L236-M240 WeakPolarHBondContact O-CB 3.4Å; L236-M240 WeakPolarHBondContact O-CG 3.49Å; L236-M240 PolarHBondContact O-N 2.79Å; E237-M240 PolarHBondContact O-N 3.02Å; M240-M243 PolarHBondContact O-N 3.39Å; M240-K244 VanDerWaalsContact O-CB 3.27Å; M240-K244 WeakPolarHBondContact O-CB 3.34Å; M240-K244 PolarHBondContact O-N 3.32Å; M240-W337 PolarHBondContact O-NE1 2.94Å; M240-L340 HydrophobicContact CG-CB 3.84Å; M240-R341 HydrophobicContact CE-CB 3.71Å; M240-R341 HydrophobicContact CE-CG 4.08Å; M240-R341 HydrophobicContact SD-CB 4.42Å; M240-K344 HydrophobicContact SD-CB 4.18Å; M240-K344 HydrophobicContact SD-CD 3.84Å
241K85Confident79.7Confident142 Ų14278 Ų7862%0.61738%0.382SS*.Hα-helixtrans-62.5-52.3175.4-175.2177.7179.8-178.60110.9E237 Y238 M239 M243 K244 D245E237-K241 WeakPolarHBondContact O-CB 3.38Å; E237-K241 PolarHBondContact O-N 3.47Å; Y238-K241 PolarHBondContact O-N 3.48Å; M239-K241 VanDerWaalsContact C-N 3.34Å; M239-K241 PolarHBondContact O-N 2.8Å; K241-M243 VanDerWaalsContact C-N 3.26Å; K241-M243 PolarHBondContact O-N 3.38Å; K241-K244 WeakPolarHBondContact O-CB 3.42Å; K241-K244 PolarHBondContact O-N 2.89Å; K241-K244 VanDerWaalsContact O-N 3.12Å; K241-D245 PolarHBondContact O-N 3.46Å
242T80.5Confident80.3Confident61 Ų6175.4 Ų75.437%0.37438%0.377SS..Hα-helixtrans-57.5-40.8177.7-51.80000111.9Y238 M239 D245 T246Y238-T242 PolarHBondContact O-N 3.39Å; Y238-T242 PolarHBondContact O-OG1 3.16Å; M239-T242 PolarHBondContact O-N 3.29Å; T242-D245 PolarHBondContact O-N 3.44Å; T242-T246 PolarHBondContact O-N 3.06Å; T242-T246 PolarHBondContact O-OG1 2.86Å
243M80.7Confident80.6Confident40 Ų4075.3 Ų75.320%0.19738%0.381CS..Hα-helixtrans-73.7-32.4179.5-167.1164.1-85.600112.5M239 M240 K241 T246 L247 T333 Q336 W337 L340M239-M243 VanDerWaalsContact O-CB 3.24Å; M239-M243 WeakPolarHBondContact O-CB 3.25Å; M239-M243 PolarHBondContact O-N 2.99Å; M240-M243 PolarHBondContact O-N 3.39Å; K241-M243 VanDerWaalsContact C-N 3.26Å; K241-M243 PolarHBondContact O-N 3.38Å; M243-T246 PolarHBondContact O-N 3.24Å; M243-L247 VanDerWaalsContact O-CB 3.29Å; M243-L247 WeakPolarHBondContact O-CB 3.42Å; M243-L247 PolarHBondContact O-N 3.15Å; M243-T333 HydrophobicContact CG-CG2 3.68Å; M243-Q336 HydrophobicContact CE-CB 3.87Å; M243-Q336 HydrophobicContact SD-CB 3.55Å; M243-Q336 VanDerWaalsContact SD-CB 3.55Å; M243-W337 HydrophobicContact CG-CB 4.01Å; M243-W337 HydrophobicContact SD-CB 3.92Å; M243-W337 PolarHBondContact SD-N 3.45Å; M243-L340 HydrophobicContact CE-CD1 4.37Å; M243-L340 HydrophobicContact SD-CD1 3.86Å
244K82.3Confident80.8Confident122 Ų12276.4 Ų76.453%0.5338%0.383SS..Hα-helixtrans-65.1-40.9171.7-174.2-178.4179.6-175.30111.5M240 K241 L247 S248M240-K244 VanDerWaalsContact O-CB 3.27Å; M240-K244 WeakPolarHBondContact O-CB 3.34Å; M240-K244 PolarHBondContact O-N 3.32Å; K241-K244 WeakPolarHBondContact O-CB 3.42Å; K241-K244 PolarHBondContact O-N 2.89Å; K241-K244 VanDerWaalsContact O-N 3.12Å; K244-L247 PolarHBondContact O-N 2.98Å; K244-S248 WeakPolarHBondContact O-CB 3.46Å; K244-S248 PolarHBondContact O-N 3.02Å; K244-S248 PolarHBondContact O-OG 3.28Å
245D84.7Confident81.1Confident96 Ų9675.3 Ų75.351%0.51338%0.378SS..Hα-helixtrans-65.1-44.2175.8-63.7-20.9000110.5K241 T242 L247 S248 L249K241-D245 PolarHBondContact O-N 3.46Å; T242-D245 PolarHBondContact O-N 3.44Å; D245-L247 PolarHBondContact O-N 3.42Å; D245-S248 WeakPolarHBondContact O-CB 3.38Å; D245-S248 PolarHBondContact O-N 3.13Å; D245-L249 PolarHBondContact O-N 3.14Å
246T82.8Confident81.6Confident57 Ų5775.1 Ų75.135%0.3538%0.377SS..Hα-helixtrans-60.5-44.3174.5-57.10000112T242 M243 S248 L249 K250 T333T242-T246 PolarHBondContact O-N 3.06Å; T242-T246 PolarHBondContact O-OG1 2.86Å; M243-T246 PolarHBondContact O-N 3.24Å; T246-S248 VanDerWaalsContact C-N 3.32Å; T246-S248 PolarHBondContact O-N 2.73Å; T246-L249 PolarHBondContact O-N 2.92Å; T246-K250 HydrophobicContact CG2-CD 4.21Å; T246-K250 WeakPolarHBondContact O-CB 3.48Å; T246-K250 WeakPolarHBondContact O-CG 3.24Å; T246-K250 PolarHBondContact O-N 3.38Å; T246-T333 HydrophobicContact CG2-CG2 4.31Å
247L82.3Confident81.8Confident32 Ų3276.5 Ų76.517%0.16838%0.384CS..Hα-helixtrans-61.4-42.6176.4179.562000111M243 K244 D245 L249 K250 M251 A330 T333 F334M243-L247 VanDerWaalsContact O-CB 3.29Å; M243-L247 WeakPolarHBondContact O-CB 3.42Å; M243-L247 PolarHBondContact O-N 3.15Å; K244-L247 PolarHBondContact O-N 2.98Å; D245-L247 PolarHBondContact O-N 3.42Å; L247-L249 PolarHBondContact O-N 3.33Å; L247-K250 PolarHBondContact O-N 3.21Å; L247-M251 VanDerWaalsContact O-CB 3.29Å; L247-M251 WeakPolarHBondContact O-CB 3.48Å; L247-M251 PolarHBondContact O-N 2.9Å; L247-A330 HydrophobicContact CD1-CB 4.36Å; L247-A330 VanDerWaalsContact CD1-O 3.3Å; L247-A330 WeakPolarHBondContact CD1-O 2.99Å; L247-T333 HydrophobicContact CB-CG2 3.99Å; L247-T333 HydrophobicContact CD1-CG2 4.4Å; L247-F334 HydrophobicContact CD1-CB 4.1Å; L247-F334 HydrophobicContact CD2-CB 4.33Å; L247-F334 HydrophobicContact CD2-CD2 3.94Å
248S83.1Confident81.7Confident70 Ų7073.2 Ų73.249%0.4937%0.368SS..Hα-helixtrans-61.6-44.3178.2-57.50000111.4K244 D245 T246 M251 A252K244-S248 WeakPolarHBondContact O-CB 3.46Å; K244-S248 PolarHBondContact O-N 3.02Å; K244-S248 PolarHBondContact O-OG 3.28Å; D245-S248 WeakPolarHBondContact O-CB 3.38Å; D245-S248 PolarHBondContact O-N 3.13Å; T246-S248 VanDerWaalsContact C-N 3.32Å; T246-S248 PolarHBondContact O-N 2.73Å; S248-M251 PolarHBondContact O-N 2.91Å; S248-A252 WeakPolarHBondContact O-CB 3.41Å; S248-A252 PolarHBondContact O-N 3.21Å
249L84.5Confident81.8Confident122 Ų12273.2 Ų73.264%0.63937%0.371SS*.Hα-helixtrans-63.2-44.5176-178.264.9000112.4D245 T246 L247 A252 T253D245-L249 PolarHBondContact O-N 3.14Å; T246-L249 PolarHBondContact O-N 2.92Å; L247-L249 PolarHBondContact O-N 3.33Å; L249-A252 PolarHBondContact O-N 3.48Å; L249-T253 PolarHBondContact O-N 2.88Å; L249-T253 PolarHBondContact O-OG1 3.35Å
250K82.2Confident82Confident54 Ų5474.6 Ų74.624%0.23538%0.375CS..Hα-helixtrans-65-40177.5-73.3-179.7174.5-172.40111.6T246 L247 T253 Y254 L329 A330 T333T246-K250 HydrophobicContact CG2-CD 4.21Å; T246-K250 WeakPolarHBondContact O-CB 3.48Å; T246-K250 WeakPolarHBondContact O-CG 3.24Å; T246-K250 PolarHBondContact O-N 3.38Å; L247-K250 PolarHBondContact O-N 3.21Å; K250-T253 WeakPolarHBondContact O-CB 3.41Å; K250-T253 PolarHBondContact O-N 2.95Å; K250-Y254 PolarHBondContact O-N 2.73Å; K250-L329 HydrophobicContact CD-CB 4.16Å; K250-L329 WeakPolarHBondContact CD-O 3.3Å; K250-L329 PolarHBondContact NZ-O 2.96Å; K250-A330 HydrophobicContact CB-CB 4.19Å; K250-T333 PolarHBondContact NZ-OG1 3.28Å
251M81Confident81.7Confident83 Ų8373.5 Ų73.541%0.40937%0.369SS..Hα-helixtrans-67.7-39.6177.4-160.762.4176.300111.8L247 S248 T253 Y254 Q255 A330L247-M251 VanDerWaalsContact O-CB 3.29Å; L247-M251 WeakPolarHBondContact O-CB 3.48Å; L247-M251 PolarHBondContact O-N 2.9Å; S248-M251 PolarHBondContact O-N 2.91Å; M251-T253 VanDerWaalsContact C-N 3.32Å; M251-T253 PolarHBondContact O-N 3.43Å; M251-Y254 HydrophobicContact CE-CD1 4.01Å; M251-Y254 HydrophobicContact CE-CE1 4.14Å; M251-Y254 PolarHBondContact O-N 2.92Å; M251-Y254 HydrophobicContact SD-CD1 3.88Å; M251-Q255 WeakPolarHBondContact O-CB 3.46Å; M251-Q255 VanDerWaalsContact O-CG 3.26Å; M251-Q255 WeakPolarHBondContact O-CG 3.4Å; M251-Q255 PolarHBondContact O-N 2.91Å; M251-A330 HydrophobicContact SD-CB 4.4Å
252A83.9Confident81.1Confident59 Ų5967.2 Ų67.249%0.48834%0.342SS..Hα-helixtrans-61.4-41.4173.200000111.8S248 L249 Q255 K256S248-A252 WeakPolarHBondContact O-CB 3.41Å; S248-A252 PolarHBondContact O-N 3.21Å; L249-A252 PolarHBondContact O-N 3.48Å; A252-Q255 PolarHBondContact O-N 2.98Å; A252-K256 WeakPolarHBondContact O-CB 3.43Å; A252-K256 PolarHBondContact O-N 3.28Å
253T80.2Confident81Confident53 Ų5368.9 Ų68.933%0.32535%0.349SS..Hα-helixtrans-62.5-48.2175.3-57.20000111.5L249 K250 M251 Q255 K256 H257L249-T253 PolarHBondContact O-N 2.88Å; L249-T253 PolarHBondContact O-OG1 3.35Å; K250-T253 WeakPolarHBondContact O-CB 3.41Å; K250-T253 PolarHBondContact O-N 2.95Å; M251-T253 VanDerWaalsContact C-N 3.32Å; M251-T253 PolarHBondContact O-N 3.43Å; T253-Q255 PolarHBondContact O-N 3.44Å; T253-K256 WeakPolarHBondContact O-CB 3.49Å; T253-K256 PolarHBondContact O-N 3Å; T253-H257 PolarHBondContact O-CD2 3.31Å; T253-H257 PolarHBondContact O-N 3.11Å
254Y77.8Confident80.7Confident35 Ų3569.1 Ų69.114%0.13735%0.35CS..Hα-helixtrans-55.7-49.1173.9163.5-107.4000112.1K250 M251 K256 H257 K258 M323 Q327K250-Y254 PolarHBondContact O-N 2.73Å; M251-Y254 HydrophobicContact CE-CD1 4.01Å; M251-Y254 HydrophobicContact CE-CE1 4.14Å; M251-Y254 PolarHBondContact O-N 2.92Å; M251-Y254 HydrophobicContact SD-CD1 3.88Å; Y254-K256 VanDerWaalsContact C-N 3.29Å; Y254-K256 PolarHBondContact O-N 3.03Å; Y254-H257 PolarHBondContact O-N 3.34Å; Y254-K258 WeakPolarHBondContact O-CB 3.38Å; Y254-K258 PolarHBondContact O-N 3.09Å; Y254-M323 HydrophobicContact CD2-CG 3.83Å; Y254-M323 HydrophobicContact CE2-CG 3.62Å; Y254-M323 HydrophobicContact CE2-SD 4.26Å; Y254-Q327 HydrophobicContact CD2-CB 3.74Å; Y254-Q327 HydrophobicContact CD2-CG 4.44Å; Y254-Q327 HydrophobicContact CE2-CB 3.82Å; Y254-Q327 HydrophobicContact CE2-CG 4.16Å
255Q80.9Confident80.1Confident80 Ų8063.5 Ų63.537%0.37433%0.326SS..Hα-helixtrans-61.1-38178.6-71.3-71.30.300112.1M251 A252 T253 K259M251-Q255 WeakPolarHBondContact O-CB 3.46Å; M251-Q255 VanDerWaalsContact O-CG 3.26Å; M251-Q255 WeakPolarHBondContact O-CG 3.4Å; M251-Q255 PolarHBondContact O-N 2.91Å; A252-Q255 PolarHBondContact O-N 2.98Å; T253-Q255 PolarHBondContact O-N 3.44Å; Q255-K259 WeakPolarHBondContact O-CB 2.9Å; Q255-K259 WeakPolarHBondContact O-CG 3.43Å; Q255-K259 PolarHBondContact O-N 2.9Å
256K86.1Confident79.3Confident130 Ų13061.3 Ų61.357%0.56531%0.313SS*.Hα-helixtrans-63.2-47.4175.3-177-178.7-179.3179.10111.8A252 T253 Y254 K260A252-K256 WeakPolarHBondContact O-CB 3.43Å; A252-K256 PolarHBondContact O-N 3.28Å; T253-K256 WeakPolarHBondContact O-CB 3.49Å; T253-K256 PolarHBondContact O-N 3Å; Y254-K256 VanDerWaalsContact C-N 3.29Å; Y254-K256 PolarHBondContact O-N 3.03Å; K256-K260 WeakPolarHBondContact O-CG 3.3Å; K256-K260 PolarHBondContact O-N 2.79Å; K256-K260 VanDerWaalsContact O-N 3.11Å
257H80.2Confident78.6Confident31 Ų3164.2 Ų64.214%0.14432%0.321CS..Hα-helixtrans-66.7-40.1178-71.2-66.8000112.1T253 Y254 K260 L261 Q322 M323 S326T253-H257 PolarHBondContact O-CD2 3.31Å; T253-H257 PolarHBondContact O-N 3.11Å; Y254-H257 PolarHBondContact O-N 3.34Å; H257-K260 PolarHBondContact O-N 3.35Å; H257-L261 WeakPolarHBondContact O-CB 2.89Å; H257-L261 PolarHBondContact O-N 2.78Å; H257-Q322 PolarHBondContact CE1-OE1 2.92Å; H257-Q322 PolarHBondContact ND1-OE1 2.84Å; H257-Q322 VanDerWaalsContact ND1-OE1 3.08Å; H257-M323 HydrophobicContact CB-CB 3.99Å; H257-S326 PolarHBondContact CD2-OG 2.8Å
258K77.8Confident77.9Confident40 Ų4065.8 Ų65.817%0.17433%0.326CS..Hα-helixtrans-59.3-51.3175.1-176.8178177.6-174.70111.6Y254 K260 L261 D262 M323Y254-K258 WeakPolarHBondContact O-CB 3.38Å; Y254-K258 PolarHBondContact O-N 3.09Å; K258-K260 VanDerWaalsContact C-N 3.29Å; K258-K260 PolarHBondContact O-N 3.03Å; K258-L261 WeakPolarHBondContact O-CB 3.44Å; K258-L261 PolarHBondContact O-N 2.72Å; K258-L261 VanDerWaalsContact O-N 3.11Å; K258-D262 WeakPolarHBondContact CE-OD2 3.4Å; K258-D262 WeakPolarHBondContact CG-OD2 3.11Å; K258-D262 PolarHBondContact O-N 3.24Å; K258-M323 HydrophobicContact CB-CG 4.19Å; K258-M323 HydrophobicContact CB-SD 4Å; K258-M323 HydrophobicContact CG-SD 4.06Å
259K81.6Confident76.8Confident136 Ų13663 Ų6359%0.59131%0.307SS*.Hα-helixtrans-57.6-40.6177-75.4-179.5-179.9-174.50112.5Q255 N263Q255-K259 WeakPolarHBondContact O-CB 2.9Å; Q255-K259 WeakPolarHBondContact O-CG 3.43Å; Q255-K259 PolarHBondContact O-N 2.9Å; K259-N263 WeakPolarHBondContact O-CB 3.14Å; K259-N263 PolarHBondContact O-N 3.08Å; K259-N263 PolarHBondContact O-ND2 3.02Å
260K82.4Confident75.5Confident99 Ų9966.3 Ų66.343%0.4331%0.311SS..Hα-helixtrans-62.4-46.3175.1-75.8-178.2175.4-168.20111.8K256 H257 K258 N263 E264 L319K256-K260 WeakPolarHBondContact O-CG 3.3Å; K256-K260 PolarHBondContact O-N 2.79Å; K256-K260 VanDerWaalsContact O-N 3.11Å; H257-K260 PolarHBondContact O-N 3.35Å; K258-K260 VanDerWaalsContact C-N 3.29Å; K258-K260 PolarHBondContact O-N 3.03Å; K260-N263 PolarHBondContact O-N 2.9Å; K260-E264 WeakPolarHBondContact O-CG 3.39Å; K260-E264 PolarHBondContact O-N 2.72Å; K260-E264 VanDerWaalsContact O-N 3.08Å; K260-L319 HydrophobicContact CB-CD2 4.09Å; K260-L319 HydrophobicContact CD-CD2 4.4Å
261L74.8Confident74.2Confident1 Ų170.6 Ų70.61%0.00534%0.337CS..Hα-helixtrans-61.5-49.9177.9179.967.6000111.1H257 K258 N263 E264 I265 L316 L319 Y320 M323H257-L261 WeakPolarHBondContact O-CB 2.89Å; H257-L261 PolarHBondContact O-N 2.78Å; K258-L261 WeakPolarHBondContact O-CB 3.44Å; K258-L261 PolarHBondContact O-N 2.72Å; K258-L261 VanDerWaalsContact O-N 3.11Å; L261-N263 VanDerWaalsContact C-N 3.32Å; L261-N263 PolarHBondContact O-N 2.86Å; L261-E264 PolarHBondContact O-N 3.46Å; L261-I265 HydrophobicContact CD1-CD1 4.08Å; L261-I265 HydrophobicContact CD1-CG1 4.35Å; L261-I265 HydrophobicContact CD2-CD1 4.46Å; L261-I265 HydrophobicContact CG-CD1 3.86Å; L261-I265 HydrophobicContact CG-CG1 4.45Å; L261-I265 WeakPolarHBondContact O-CG1 3.26Å; L261-I265 PolarHBondContact O-N 2.91Å; L261-L316 HydrophobicContact CD1-CD2 3.89Å; L261-L319 HydrophobicContact CB-CB 4.31Å; L261-L319 HydrophobicContact CD1-CB 3.84Å; L261-Y320 HydrophobicContact CD2-CD2 4Å; L261-M323 HydrophobicContact CD2-CE 4.01Å; L261-M323 HydrophobicContact CD2-SD 3.82Å
262D73.6Confident72.7Confident10 Ų1070.9 Ų70.95%0.05334%0.336CS..Hα-helixtrans-59.3-43.7180-68.5-25.9000110.9K258 E264 I265 I266 T295K258-D262 WeakPolarHBondContact CE-OD2 3.4Å; K258-D262 WeakPolarHBondContact CG-OD2 3.11Å; K258-D262 PolarHBondContact O-N 3.24Å; D262-E264 PolarHBondContact O-N 2.82Å; D262-I265 PolarHBondContact O-N 3.16Å; D262-I266 WeakPolarHBondContact O-CD1 3.35Å; D262-I266 VanDerWaalsContact O-CG1 3.23Å; D262-I266 WeakPolarHBondContact O-CG1 3.34Å; D262-I266 PolarHBondContact O-N 2.9Å; D262-T295 PolarHBondContact OD1-OG1 2.89Å; D262-T295 VanDerWaalsContact OD1-OG1 3.12Å
263N78.7Confident70.9Confident96 Ų9671.9 Ų71.951%0.51334%0.339SS..Hα-helixtrans-61.5-41.7176.4-73.9-14.5000112.9K259 K260 L261 I266 K267K259-N263 WeakPolarHBondContact O-CB 3.14Å; K259-N263 PolarHBondContact O-N 3.08Å; K259-N263 PolarHBondContact O-ND2 3.02Å; K260-N263 PolarHBondContact O-N 2.9Å; L261-N263 VanDerWaalsContact C-N 3.32Å; L261-N263 PolarHBondContact O-N 2.86Å; N263-I266 PolarHBondContact O-N 3.39Å; N263-K267 WeakPolarHBondContact O-CG 3.34Å; N263-K267 PolarHBondContact O-N 3.4Å
264E74.6Confident69Low45 Ų4575.9 Ų75.921%0.2136%0.356CS..Hα-helixtrans-71.2-36.5178.3-73.7-57.7129.300112.4K260 L261 D262 K267 K268 L316 L319K260-E264 WeakPolarHBondContact O-CG 3.39Å; K260-E264 PolarHBondContact O-N 2.72Å; K260-E264 VanDerWaalsContact O-N 3.08Å; L261-E264 PolarHBondContact O-N 3.46Å; D262-E264 PolarHBondContact O-N 2.82Å; E264-K267 PolarHBondContact O-N 3.38Å; E264-K267 IonicContact OE1-NZ 2.75Å; E264-K267 PolarHBondContact OE1-NZ 3.26Å; E264-K268 PolarHBondContact O-N 3.4Å; E264-L316 HydrophobicContact CB-CD2 3.66Å; E264-L319 HydrophobicContact CB-CD1 4.15Å; E264-L319 HydrophobicContact CG-CD1 3.76Å
265I68Low67.6Low5 Ų583.4 Ų83.43%0.02639%0.389CS..Hα-helixtrans-62.1-47.8172.4-68.2172.7000109.8L261 D262 K267 K268 C269 F294 L298 Y307 L316L261-I265 HydrophobicContact CD1-CD1 4.08Å; L261-I265 HydrophobicContact CD1-CG1 4.35Å; L261-I265 HydrophobicContact CD2-CD1 4.46Å; L261-I265 HydrophobicContact CG-CD1 3.86Å; L261-I265 HydrophobicContact CG-CG1 4.45Å; L261-I265 WeakPolarHBondContact O-CG1 3.26Å; L261-I265 PolarHBondContact O-N 2.91Å; D262-I265 PolarHBondContact O-N 3.16Å; I265-K267 VanDerWaalsContact C-N 3.32Å; I265-K267 PolarHBondContact O-N 2.8Å; I265-K268 PolarHBondContact O-N 2.74Å; I265-K268 VanDerWaalsContact O-N 3.16Å; I265-C269 WeakPolarHBondContact O-CB 3.36Å; I265-C269 PolarHBondContact O-N 2.96Å; I265-C269 PolarHBondContact O-SG 3.37Å; I265-F294 HydrophobicContact CG2-CE1 4.12Å; I265-L298 HydrophobicContact CG2-CD2 3.68Å; I265-Y307 HydrophobicContact CD1-CE2 4.49Å; I265-L316 HydrophobicContact CG1-CD2 3.93Å
266I67.9Low65.9Low50 Ų5086 Ų8626%0.25640%0.401SS..Hα-helixtrans-57.9-44.7177.7-69.3164.1000110.9D262 N263 K268 C269 R270 F294D262-I266 WeakPolarHBondContact O-CD1 3.35Å; D262-I266 VanDerWaalsContact O-CG1 3.23Å; D262-I266 WeakPolarHBondContact O-CG1 3.34Å; D262-I266 PolarHBondContact O-N 2.9Å; N263-I266 PolarHBondContact O-N 3.39Å; I266-K268 PolarHBondContact O-N 3.24Å; I266-C269 PolarHBondContact O-N 3.47Å; I266-R270 WeakPolarHBondContact O-CG 3.38Å; I266-R270 PolarHBondContact O-N 3.49Å; I266-F294 HydrophobicContact CD1-CE1 4.49Å; I266-F294 HydrophobicContact CG1-CD1 3.97Å; I266-F294 HydrophobicContact CG1-CE1 3.49Å; I266-F294 VanDerWaalsContact CG1-CE1 3.49Å; I266-F294 HydrophobicContact CG1-CZ 4.02Å
267K70Confident63.9Low117 Ų11781.4 Ų81.451%0.50938%0.381SS..Hα-helixtrans-59.8-44.4176.3-75.2176.6-172.1171.60112.2N263 E264 I265N263-K267 WeakPolarHBondContact O-CG 3.34Å; N263-K267 PolarHBondContact O-N 3.4Å; E264-K267 PolarHBondContact O-N 3.38Å; E264-K267 IonicContact OE1-NZ 2.75Å; E264-K267 PolarHBondContact OE1-NZ 3.26Å; I265-K267 VanDerWaalsContact C-N 3.32Å; I265-K267 PolarHBondContact O-N 2.8Å
268K66.2Low62.2Low65 Ų6586.8 Ų86.828%0.28340%0.404SS..Hα-helixtrans-66.9-43.6177.6-73.2-145.6179.8-172.60112E264 I265 I266 R270 N271 F272 T313 L316E264-K268 PolarHBondContact O-N 3.4Å; I265-K268 PolarHBondContact O-N 2.74Å; I265-K268 VanDerWaalsContact O-N 3.16Å; I266-K268 PolarHBondContact O-N 3.24Å; K268-R270 VanDerWaalsContact C-N 3.3Å; K268-R270 PolarHBondContact O-N 3.11Å; K268-N271 WeakPolarHBondContact O-CB 3.24Å; K268-N271 PolarHBondContact O-N 3.27Å; K268-F272 VanDerWaalsContact O-CD2 3.25Å; K268-F272 WeakPolarHBondContact O-CD2 3.19Å; K268-T313 PolarHBondContact NZ-OG1 3.17Å; K268-L316 HydrophobicContact CD-CD1 3.78Å; K268-L316 HydrophobicContact CG-CD1 4.42Å
269C60Low60.7Low11 Ų1192.2 Ų92.27%0.07444%0.435CS..Hα-helixtrans-61.3-35.6177.8-70.20000112.7I265 I266 N271 F272 F277I265-C269 WeakPolarHBondContact O-CB 3.36Å; I265-C269 PolarHBondContact O-N 2.96Å; I265-C269 PolarHBondContact O-SG 3.37Å; I266-C269 PolarHBondContact O-N 3.47Å; C269-N271 PolarHBondContact O-N 3.44Å; C269-F272 PolarHBondContact O-N 2.87Å; C269-F277 HydrophobicContact CB-CZ 4.27Å
270R58.5Low58.7Low192 Ų19288.6 Ų88.673%0.72542%0.422SS*.Hα-helixtrans-60.5-23.9174-76.9178.8-176.8-175.80.9113.8I266 K268I266-R270 WeakPolarHBondContact O-CG 3.38Å; I266-R270 PolarHBondContact O-N 3.49Å; K268-R270 VanDerWaalsContact C-N 3.3Å; K268-R270 PolarHBondContact O-N 3.11Å
271N54.4Low56.5Low145 Ų14586.8 Ų86.878%0.77542%0.422SS*.THydrogen-bonded Turntrans-88.7-8.8177.1-65-11.4000113K268 C269K268-N271 WeakPolarHBondContact O-CB 3.24Å; K268-N271 PolarHBondContact O-N 3.27Å; C269-N271 PolarHBondContact O-N 3.44Å
272F48.6Very low54.9Low89 Ų8995.4 Ų95.439%0.3946%0.459SS..SBendtrans-77.7140.7173.7-81.1-89.1000110K268 C269 M274 F277 I310K268-F272 VanDerWaalsContact O-CD2 3.25Å; K268-F272 WeakPolarHBondContact O-CD2 3.19Å; C269-F272 PolarHBondContact O-N 2.87Å; F272-M274 PolarHBondContact O-N 3.14Å; F272-F277 HydrophobicContact CB-CD2 4.42Å; F272-F277 HydrophobicContact CB-CE2 4.1Å; F272-I310 HydrophobicContact CE2-CD1 4.39Å; F272-I310 HydrophobicContact CZ-CD1 4.31Å; F272-I310 HydrophobicContact CZ-CG1 4.41Å
273S45.7Very low53Low79 Ų79102.6 Ų102.655%0.55249%0.492SS*.  trans-57.4127.7-175.188.30000110.2K275 E276S273-K275 PolarHBondContact O-N 3.38Å; S273-E276 PolarHBondContact O-N 2.89Å
274M40.5Very low50.8Low138 Ų138103.6 Ų103.668%0.6850%0.502SS*.THydrogen-bonded Turntrans-55.6-8.9-175.1-130.196-176.700114.6F272 E276 F277 K278F272-M274 PolarHBondContact O-N 3.14Å; M274-E276 VanDerWaalsContact C-N 3.33Å; M274-E276 PolarHBondContact O-N 2.94Å; M274-F277 PolarHBondContact O-N 3.28Å; M274-K278 PolarHBondContact O-N 2.96Å
275K49.2Very low48.9Very low192 Ų192107.2 Ų107.284%0.83553%0.527SS*.THydrogen-bonded Turntrans-66-31.1178.1-82.4-174.3175.1-179.20113S273S273-K275 PolarHBondContact O-N 3.38Å
276E46.2Very low47.1Very low136 Ų136114.3 Ų114.364%0.63657%0.565SS**THydrogen-bonded Turntrans-88.8-15.7179.2-67.9-179.816100113.3S273 M274S273-E276 PolarHBondContact O-N 2.89Å; M274-E276 VanDerWaalsContact C-N 3.33Å; M274-E276 PolarHBondContact O-N 2.94Å
277F43.1Very low45.4Very low32 Ų32115.5 Ų115.514%0.1458%0.577CS.*THydrogen-bonded Turntrans-107.63.3-173.9-84.4-81.7000114.5C269 F272 M274 D279 I280 S281 L298C269-F277 HydrophobicContact CB-CZ 4.27Å; F272-F277 HydrophobicContact CB-CD2 4.42Å; F272-F277 HydrophobicContact CB-CE2 4.1Å; M274-F277 PolarHBondContact O-N 3.28Å; F277-D279 PolarHBondContact O-N 2.84Å; F277-I280 HydrophobicContact CD1-CD1 3.6Å; F277-I280 HydrophobicContact CD1-CG1 4.21Å; F277-I280 HydrophobicContact CE1-CD1 3.79Å; F277-I280 PolarHBondContact O-N 3.12Å; F277-S281 PolarHBondContact O-N 2.92Å; F277-L298 HydrophobicContact CE1-CD1 4.5Å
278K43.5Very low43.9Very low144 Ų144115 Ų11563%0.62659%0.589SS**THydrogen-bonded Turntrans-61.6-21.1-172.7-138.9178.9-175.1-1770113.6M274 S281M274-K278 PolarHBondContact O-N 2.96Å; K278-S281 PolarHBondContact O-OG 3.43Å
279D46.8Very low42.5Very low155 Ų155117.8 Ų117.883%0.82961%0.607SS**THydrogen-bonded Turntrans-80.1-22175.9-64.2-23.6000113F277F277-D279 PolarHBondContact O-N 2.84Å
280I40.4Very low41.5Very low60 Ų60119.6 Ų119.631%0.30862%0.617SS.*THydrogen-bonded Turntrans-85.5-30.3176.8-50.7-170.4000111.3F277 K282 I301F277-I280 HydrophobicContact CD1-CD1 3.6Å; F277-I280 HydrophobicContact CD1-CG1 4.21Å; F277-I280 HydrophobicContact CE1-CD1 3.79Å; F277-I280 PolarHBondContact O-N 3.12Å; I280-K282 VanDerWaalsContact C-N 3.27Å; I280-K282 PolarHBondContact O-N 2.87Å; I280-I301 HydrophobicContact CD1-CD1 3.45Å; I280-I301 VanDerWaalsContact CD1-CD1 3.45Å; I280-I301 HydrophobicContact CG1-CD1 3.95Å
281S36.7Very low40.3Very low61 Ų61112.4 Ų112.443%0.42760%0.599SS.*THydrogen-bonded Turntrans-77-4.6-173.1690000115.2F277 K278 E283F277-S281 PolarHBondContact O-N 2.92Å; K278-S281 PolarHBondContact O-OG 3.43Å; S281-E283 VanDerWaalsContact C-N 3.33Å
282K40.8Very low39.7Very low182 Ų182112.9 Ų112.979%0.79159%0.594SS**THydrogen-bonded Turntrans-81-11.3176.6-78.6-172.7177.1179.50113.7I280 T284I280-K282 VanDerWaalsContact C-N 3.27Å; I280-K282 PolarHBondContact O-N 2.87Å; K282-T284 PolarHBondContact O-N 2.74Å
283E33.7Very low39.5Very low160 Ų160114.5 Ų114.575%0.74860%0.602SS**  trans-97.871.1171-75.9-177.9160.400110.6S281 T285S281-E283 VanDerWaalsContact C-N 3.33Å; E283-T285 VanDerWaalsContact C-N 3.25Å; E283-T285 PolarHBondContact O-N 3.46Å
284T32.6Very low39.4Very low117 Ų117112.4 Ų112.472%0.71858%0.584SS**  trans-74.373.6170.244.60000111.2K282K282-T284 PolarHBondContact O-N 2.74Å
285T35Very low39.8Very low122 Ų122106.8 Ų106.875%0.74856%0.557SS**  trans-150.874.8156.645.70000109.1E283 S287E283-T285 VanDerWaalsContact C-N 3.25Å; E283-T285 PolarHBondContact O-N 3.46Å; T285-S287 VanDerWaalsContact C-N 3.34Å; T285-S287 PolarHBondContact O-N 3.24Å
286L30.2Very low40Very low154 Ų154102.4 Ų102.481%0.80654%0.543SS*.  trans-72.282179.9-88.497.5000111.7
287S32.3Very low40.1Very low75 Ų7598.4 Ų98.452%0.52453%0.53SS..  trans-85.3156.1162.9175.70000110.7T285 D289 V290T285-S287 VanDerWaalsContact C-N 3.34Å; T285-S287 PolarHBondContact O-N 3.24Å; S287-D289 PolarHBondContact O-N 2.75Å; S287-V290 WeakPolarHBondContact O-CB 3.46Å; S287-V290 WeakPolarHBondContact O-CG2 3.16Å; S287-V290 PolarHBondContact O-N 3.34Å
288S38Very low40.4Very low107 Ų10797 Ų9775%0.74852%0.523SS*.THydrogen-bonded Turntrans-57.8-19.4-173.363.70000115.1V290S288-V290 PolarHBondContact O-N 2.83Å
289D37.1Very low40.9Very low123 Ų12393.9 Ų93.966%0.65851%0.51SS*.THydrogen-bonded Turntrans-66.9-18.1173.9-85.2-38.4000113.8S287 A291 K292S287-D289 PolarHBondContact O-N 2.75Å; D289-A291 VanDerWaalsContact C-N 3.29Å; D289-A291 PolarHBondContact O-N 3.25Å; D289-K292 PolarHBondContact O-N 2.91Å
290V37.7Very low41.3Very low48 Ų4892.1 Ų92.129%0.29151%0.505SS..Hα-helixtrans-69.5-22.5-179.4178.90000112.3S287 S288 K292 Q293 F294S287-V290 WeakPolarHBondContact O-CB 3.46Å; S287-V290 WeakPolarHBondContact O-CG2 3.16Å; S287-V290 PolarHBondContact O-N 3.34Å; S288-V290 PolarHBondContact O-N 2.83Å; V290-K292 PolarHBondContact O-N 3.42Å; V290-Q293 CarbonylContact O-C 3.57Å; V290-Q293 PolarHBondContact O-N 2.88Å; V290-Q293 VanDerWaalsContact O-N 3.1Å; V290-F294 HydrophobicContact CG1-CB 4.46Å; V290-F294 WeakPolarHBondContact O-CB 3.16Å; V290-F294 PolarHBondContact O-N 3.05Å
291A34.7Very low41.6Very low41 Ų4193.9 Ų93.934%0.33951%0.514SS..Hα-helixtrans-60.4-32.8177.200000112.4D289 T295D289-A291 VanDerWaalsContact C-N 3.29Å; D289-A291 PolarHBondContact O-N 3.25Å; A291-T295 PolarHBondContact O-OG1 3.1Å
292K40.5Very low42.5Very low156 Ų15692.1 Ų92.168%0.67850%0.5SS*.Hα-helixtrans-72.9-36.3177.9-151.5179.7-174.9-1750111.7D289 V290D289-K292 PolarHBondContact O-N 2.91Å; V290-K292 PolarHBondContact O-N 3.42Å
293Q44.2Very low43.1Very low122 Ų12284.9 Ų84.957%0.5748%0.477SS*.Hα-helixtrans-74.9-39.3174.8-68.8-179.5-6.200110.9V290 T295 N296 S297V290-Q293 CarbonylContact O-C 3.57Å; V290-Q293 PolarHBondContact O-N 2.88Å; V290-Q293 VanDerWaalsContact O-N 3.1Å; Q293-T295 PolarHBondContact O-N 3.27Å; Q293-N296 PolarHBondContact O-N 2.85Å; Q293-S297 WeakPolarHBondContact O-CB 3.12Å; Q293-S297 PolarHBondContact O-N 3.12Å; Q293-S297 PolarHBondContact O-OG 3.43Å
294F44.3Very low44Very low36 Ų3686.2 Ų86.216%0.15848%0.475CS..Hα-helixtrans-62-46.9-172.5-171.3-105.1000112.9I265 I266 V290 N296 S297 L298I265-F294 HydrophobicContact CG2-CE1 4.12Å; I266-F294 HydrophobicContact CD1-CE1 4.49Å; I266-F294 HydrophobicContact CG1-CD1 3.97Å; I266-F294 HydrophobicContact CG1-CE1 3.49Å; I266-F294 VanDerWaalsContact CG1-CE1 3.49Å; I266-F294 HydrophobicContact CG1-CZ 4.02Å; V290-F294 HydrophobicContact CG1-CB 4.46Å; V290-F294 WeakPolarHBondContact O-CB 3.16Å; V290-F294 PolarHBondContact O-N 3.05Å; F294-N296 PolarHBondContact O-N 3Å; F294-S297 PolarHBondContact O-N 3.44Å; F294-L298 HydrophobicContact CD1-CD1 3.83Å; F294-L298 HydrophobicContact CD2-CD1 4Å; F294-L298 HydrophobicContact CE1-CD1 3.38Å; F294-L298 HydrophobicContact CE2-CD1 3.57Å; F294-L298 HydrophobicContact CG-CD1 4.12Å; F294-L298 HydrophobicContact CZ-CD1 3.24Å; F294-L298 VanDerWaalsContact O-CB 3.3Å; F294-L298 WeakPolarHBondContact O-CB 3.15Å; F294-L298 PolarHBondContact O-N 3.11Å
295T49Very low45.1Very low19 Ų1989.4 Ų89.412%0.11748%0.479CS..Hα-helixtrans-66.9-38-180-32.80000112.3D262 A291 Q293 K299 Y307D262-T295 PolarHBondContact OD1-OG1 2.89Å; D262-T295 VanDerWaalsContact OD1-OG1 3.12Å; A291-T295 PolarHBondContact O-OG1 3.1Å; Q293-T295 PolarHBondContact O-N 3.27Å; T295-K299 WeakPolarHBondContact O-CG 3.5Å; T295-K299 PolarHBondContact O-N 3.36Å; T295-K299 VanDerWaalsContact O-N 3.08Å; T295-Y307 HydrophobicContact CG2-CE2 4.37Å; T295-Y307 WeakPolarHBondContact CG2-OH 3.46Å
296N52.8Low46Very low101 Ų10188.4 Ų88.454%0.5447%0.466SS..Hα-helixtrans-72-46.9177.2-77.4-9.6000110.6Q293 F294 L298 K299 T300Q293-N296 PolarHBondContact O-N 2.85Å; F294-N296 PolarHBondContact O-N 3Å; N296-L298 VanDerWaalsContact C-N 3.28Å; N296-L298 PolarHBondContact O-N 2.82Å; N296-K299 WeakPolarHBondContact O-CB 3.25Å; N296-K299 PolarHBondContact O-N 3.01Å; N296-K299 VanDerWaalsContact O-N 3.13Å; N296-T300 PolarHBondContact O-N 2.77Å; N296-T300 PolarHBondContact O-OG1 3.36Å
297S48.8Very low47.4Very low51 Ų5181.3 Ų81.336%0.35743%0.428SS..Hα-helixtrans-56.9-41.2172.9-62.70000111.4Q293 F294 T300 I301Q293-S297 WeakPolarHBondContact O-CB 3.12Å; Q293-S297 PolarHBondContact O-N 3.12Å; Q293-S297 PolarHBondContact O-OG 3.43Å; F294-S297 PolarHBondContact O-N 3.44Å; S297-T300 PolarHBondContact O-N 3.29Å; S297-I301 VanDerWaalsContact O-CB 3.32Å; S297-I301 WeakPolarHBondContact O-CB 3.37Å; S297-I301 WeakPolarHBondContact O-CD1 3.39Å; S297-I301 WeakPolarHBondContact O-CG1 3.19Å; S297-I301 PolarHBondContact O-N 3.29Å
298L49.2Very low48.6Very low2 Ų282.2 Ų82.21%0.0142%0.423CS..Hα-helixtrans-62.6-44.9174.8-118.993.5000112.4I265 F277 F294 N296 T300 I301 L302 Y307I265-L298 HydrophobicContact CG2-CD2 3.68Å; F277-L298 HydrophobicContact CE1-CD1 4.5Å; F294-L298 HydrophobicContact CD1-CD1 3.83Å; F294-L298 HydrophobicContact CD2-CD1 4Å; F294-L298 HydrophobicContact CE1-CD1 3.38Å; F294-L298 HydrophobicContact CE2-CD1 3.57Å; F294-L298 HydrophobicContact CG-CD1 4.12Å; F294-L298 HydrophobicContact CZ-CD1 3.24Å; F294-L298 VanDerWaalsContact O-CB 3.3Å; F294-L298 WeakPolarHBondContact O-CB 3.15Å; F294-L298 PolarHBondContact O-N 3.11Å; N296-L298 VanDerWaalsContact C-N 3.28Å; N296-L298 PolarHBondContact O-N 2.82Å; L298-T300 VanDerWaalsContact C-N 3.26Å; L298-T300 PolarHBondContact O-N 2.99Å; L298-I301 PolarHBondContact O-N 2.76Å; L298-L302 HydrophobicContact CB-CD1 4.37Å; L298-L302 HydrophobicContact CD2-CD1 3.52Å; L298-L302 HydrophobicContact CG-CD1 3.79Å; L298-L302 VanDerWaalsContact O-CB 3.31Å; L298-L302 WeakPolarHBondContact O-CB 3.26Å; L298-L302 PolarHBondContact O-N 2.81Å; L298-Y307 HydrophobicContact CB-CD2 4.45Å; L298-Y307 HydrophobicContact CD2-CD2 4.38Å
299K54.4Low49.6Very low80 Ų8083.3 Ų83.335%0.34842%0.416SS..Hα-helixtrans-61-38.2176.8-82.4178.4178.9176.10111.6T295 N296 G303 Y307T295-K299 WeakPolarHBondContact O-CG 3.5Å; T295-K299 PolarHBondContact O-N 3.36Å; T295-K299 VanDerWaalsContact O-N 3.08Å; N296-K299 WeakPolarHBondContact O-CB 3.25Å; N296-K299 PolarHBondContact O-N 3.01Å; N296-K299 VanDerWaalsContact O-N 3.13Å; K299-G303 CarbonylContact O-C 3.49Å; K299-G303 WeakPolarHBondContact O-CA 3.41Å; K299-G303 PolarHBondContact O-N 3.41Å; K299-Y307 HydrophobicContact CD-CE1 4.41Å; K299-Y307 HydrophobicContact CG-CD1 3.91Å; K299-Y307 HydrophobicContact CG-CD2 3.99Å; K299-Y307 HydrophobicContact CG-CE1 3.96Å; K299-Y307 HydrophobicContact CG-CE2 4.05Å; K299-Y307 HydrophobicContact CG-CG 3.92Å
300T54.8Low50.4Low117 Ų11778.7 Ų78.772%0.71839%0.391SS*.Hα-helixtrans-69.8-44.9178.1-49.20000111.1N296 S297 L298N296-T300 PolarHBondContact O-N 2.77Å; N296-T300 PolarHBondContact O-OG1 3.36Å; S297-T300 PolarHBondContact O-N 3.29Å; L298-T300 VanDerWaalsContact C-N 3.26Å; L298-T300 PolarHBondContact O-N 2.99Å
301I47.5Very low51.4Low97 Ų9776.8 Ų76.850%0.49738%0.379SS..Hα-helixtrans-76.2-46.6-173.6-67.6166.6000112.2I280 S297 L298 G303I280-I301 HydrophobicContact CD1-CD1 3.45Å; I280-I301 VanDerWaalsContact CD1-CD1 3.45Å; I280-I301 HydrophobicContact CG1-CD1 3.95Å; S297-I301 VanDerWaalsContact O-CB 3.32Å; S297-I301 WeakPolarHBondContact O-CB 3.37Å; S297-I301 WeakPolarHBondContact O-CD1 3.39Å; S297-I301 WeakPolarHBondContact O-CG1 3.19Å; S297-I301 PolarHBondContact O-N 3.29Å; L298-I301 PolarHBondContact O-N 2.76Å; I301-G303 VanDerWaalsContact C-N 3.26Å; I301-G303 PolarHBondContact O-N 2.72Å
302L55Low52.3Low24 Ų2482 Ų8213%0.12639%0.394CS..Hα-helixtrans-77.4-16.6179.6-68.3164000112.3L298 Q306 I310L298-L302 HydrophobicContact CB-CD1 4.37Å; L298-L302 HydrophobicContact CD2-CD1 3.52Å; L298-L302 HydrophobicContact CG-CD1 3.79Å; L298-L302 VanDerWaalsContact O-CB 3.31Å; L298-L302 WeakPolarHBondContact O-CB 3.26Å; L298-L302 PolarHBondContact O-N 2.81Å; L302-Q306 HydrophobicContact CB-CB 4.08Å; L302-Q306 WeakPolarHBondContact O-CB 3.49Å; L302-Q306 PolarHBondContact O-OE1 3.2Å; L302-Q306 VanDerWaalsContact O-OE1 3.13Å; L302-I310 HydrophobicContact CD1-CD1 3.84Å; L302-I310 HydrophobicContact CD2-CD1 4.35Å
303G52.7Low53.3Low30 Ų3077.1 Ų77.131%0.30938%0.377SS..Hα-helixtrans67.2154.7-163.800000112.2K299 I301 K305 Q306 Y307K299-G303 CarbonylContact O-C 3.49Å; K299-G303 WeakPolarHBondContact O-CA 3.41Å; K299-G303 PolarHBondContact O-N 3.41Å; I301-G303 VanDerWaalsContact C-N 3.26Å; I301-G303 PolarHBondContact O-N 2.72Å; G303-K305 PolarHBondContact O-N 2.9Å; G303-K305 VanDerWaalsContact O-N 3.1Å; G303-Q306 PolarHBondContact O-N 3.19Å; G303-Y307 PolarHBondContact O-N 2.75Å
304R53.5Low53.8Low188 Ų18879.5 Ų79.571%0.70939%0.386SS*.Hα-helixtrans-50.7-41.1-177-82.4-178.4172.1163.1-1.6112.6F308R304-F308 WeakPolarHBondContact O-CD2 3.25Å; R304-F308 PolarHBondContact O-N 2.92Å; R304-F308 VanDerWaalsContact O-N 3.08Å
305K55.8Low54.9Low185 Ų18582.6 Ų82.680%0.80440%0.401SS*.Hα-helixtrans-63.9-50.9-176.4-82.8-174.9177.5178.10113.3G303 F308 Q309G303-K305 PolarHBondContact O-N 2.9Å; G303-K305 VanDerWaalsContact O-N 3.1Å; K305-F308 PolarHBondContact O-N 3.49Å; K305-Q309 PolarHBondContact O-N 3.22Å
306Q53.9Low55.8Low100 Ų10081.7 Ų81.747%0.46740%0.395SS..Hα-helixtrans-72.4-35.8-177.9-66.1176.4-12.200111.5L302 G303 F308 Q309 I310L302-Q306 HydrophobicContact CB-CB 4.08Å; L302-Q306 WeakPolarHBondContact O-CB 3.49Å; L302-Q306 PolarHBondContact O-OE1 3.2Å; L302-Q306 VanDerWaalsContact O-OE1 3.13Å; G303-Q306 PolarHBondContact O-N 3.19Å; Q306-F308 VanDerWaalsContact C-N 3.3Å; Q306-F308 PolarHBondContact O-N 3.18Å; Q306-Q309 WeakPolarHBondContact O-CB 3.44Å; Q306-Q309 PolarHBondContact O-N 3.23Å; Q306-I310 WeakPolarHBondContact O-CG1 3.38Å; Q306-I310 PolarHBondContact O-N 3.29Å
307Y59.3Low56.5Low6 Ų680.8 Ų80.82%0.02439%0.388CS..Hα-helixtrans-55.7-46.5171.7178.9-97.7000111.5I265 T295 L298 K299 G303 Q309 I310 I311I265-Y307 HydrophobicContact CD1-CE2 4.49Å; T295-Y307 HydrophobicContact CG2-CE2 4.37Å; T295-Y307 WeakPolarHBondContact CG2-OH 3.46Å; L298-Y307 HydrophobicContact CB-CD2 4.45Å; L298-Y307 HydrophobicContact CD2-CD2 4.38Å; K299-Y307 HydrophobicContact CD-CE1 4.41Å; K299-Y307 HydrophobicContact CG-CD1 3.91Å; K299-Y307 HydrophobicContact CG-CD2 3.99Å; K299-Y307 HydrophobicContact CG-CE1 3.96Å; K299-Y307 HydrophobicContact CG-CE2 4.05Å; K299-Y307 HydrophobicContact CG-CG 3.92Å; G303-Y307 PolarHBondContact O-N 2.75Å; Y307-Q309 PolarHBondContact O-N 2.91Å; Y307-I310 PolarHBondContact O-N 3.37Å; Y307-I311 HydrophobicContact CD1-CD1 3.8Å; Y307-I311 HydrophobicContact CE1-CD1 3.14Å; Y307-I311 HydrophobicContact CE1-CG1 4.22Å; Y307-I311 HydrophobicContact CE2-CD1 4.25Å; Y307-I311 VanDerWaalsContact CZ-CD1 3.41Å; Y307-I311 WeakPolarHBondContact O-CG1 2.93Å; Y307-I311 PolarHBondContact O-N 2.93Å
308F58.3Low57.7Low93 Ų9381.7 Ų81.741%0.40839%0.389SS..Hα-helixtrans-67.3-31.8174.9-83.4-65.7000113.2R304 K305 Q306 I311 K312R304-F308 WeakPolarHBondContact O-CD2 3.25Å; R304-F308 PolarHBondContact O-N 2.92Å; R304-F308 VanDerWaalsContact O-N 3.08Å; K305-F308 PolarHBondContact O-N 3.49Å; Q306-F308 VanDerWaalsContact C-N 3.3Å; Q306-F308 PolarHBondContact O-N 3.18Å; F308-I311 PolarHBondContact O-N 3.26Å; F308-K312 WeakPolarHBondContact O-CB 3.22Å; F308-K312 VanDerWaalsContact O-CG 3.31Å; F308-K312 WeakPolarHBondContact O-CG 3.45Å; F308-K312 PolarHBondContact O-N 2.99Å
309Q58Low58.9Low131 Ų13182.2 Ų82.261%0.61239%0.391SS*.Hα-helixtrans-64-41.9173.1-77.4178.4-2200112.3K305 Q306 Y307 K312K305-Q309 PolarHBondContact O-N 3.22Å; Q306-Q309 WeakPolarHBondContact O-CB 3.44Å; Q306-Q309 PolarHBondContact O-N 3.23Å; Y307-Q309 PolarHBondContact O-N 2.91Å; Q309-K312 WeakPolarHBondContact O-CB 3.33Å; Q309-K312 PolarHBondContact O-N 2.96Å
310I55Low59.8Low26 Ų2681.1 Ų81.113%0.13339%0.385CS..Hα-helixtrans-65.6-43.1176.5-65.5171000110.1F272 L302 Q306 Y307 K312 T313 L316F272-I310 HydrophobicContact CE2-CD1 4.39Å; F272-I310 HydrophobicContact CZ-CD1 4.31Å; F272-I310 HydrophobicContact CZ-CG1 4.41Å; L302-I310 HydrophobicContact CD1-CD1 3.84Å; L302-I310 HydrophobicContact CD2-CD1 4.35Å; Q306-I310 WeakPolarHBondContact O-CG1 3.38Å; Q306-I310 PolarHBondContact O-N 3.29Å; Y307-I310 PolarHBondContact O-N 3.37Å; I310-K312 VanDerWaalsContact C-N 3.3Å; I310-K312 PolarHBondContact O-N 2.94Å; I310-T313 PolarHBondContact O-N 3.12Å; I310-T313 PolarHBondContact O-OG1 2.92Å; I310-L316 HydrophobicContact CG2-CD1 3.9Å; I310-L316 WeakPolarHBondContact O-CD1 3.43Å
311I57Low60.8Low7 Ų778.5 Ų78.54%0.03637%0.367CS..Hα-helixtrans-62.4-36.2175.4-70.5-176.4000111.9Y307 F308 T313 L316 E317 Y320Y307-I311 HydrophobicContact CD1-CD1 3.8Å; Y307-I311 HydrophobicContact CE1-CD1 3.14Å; Y307-I311 HydrophobicContact CE1-CG1 4.22Å; Y307-I311 HydrophobicContact CE2-CD1 4.25Å; Y307-I311 VanDerWaalsContact CZ-CD1 3.41Å; Y307-I311 WeakPolarHBondContact O-CG1 2.93Å; Y307-I311 PolarHBondContact O-N 2.93Å; F308-I311 PolarHBondContact O-N 3.26Å; I311-T313 PolarHBondContact O-N 2.92Å; I311-L316 CarbonylContact O-C 3.57Å; I311-L316 WeakPolarHBondContact O-CB 3.37Å; I311-E317 HydrophobicContact CG2-CB 4.39Å; I311-E317 WeakPolarHBondContact O-CA 3.34Å; I311-E317 WeakPolarHBondContact O-CB 3.08Å; I311-E317 PolarHBondContact O-N 2.85Å; I311-Y320 HydrophobicContact CD1-CD2 4.03Å; I311-Y320 HydrophobicContact CD1-CE2 4.48Å; I311-Y320 HydrophobicContact CD1-CG 4.37Å; I311-Y320 HydrophobicContact CG2-CG 4.32Å
312K54.3Low62.3Low152 Ų15277.1 Ų77.166%0.66136%0.359SS*.THydrogen-bonded Turntrans-62.3-2.6177.5-85.7-175.7176.9-168.50114.9F308 Q309 I310 F314F308-K312 WeakPolarHBondContact O-CB 3.22Å; F308-K312 VanDerWaalsContact O-CG 3.31Å; F308-K312 WeakPolarHBondContact O-CG 3.45Å; F308-K312 PolarHBondContact O-N 2.99Å; Q309-K312 WeakPolarHBondContact O-CB 3.33Å; Q309-K312 PolarHBondContact O-N 2.96Å; I310-K312 VanDerWaalsContact C-N 3.3Å; I310-K312 PolarHBondContact O-N 2.94Å; K312-F314 PolarHBondContact O-N 3.26Å
313T61Low63.5Low52 Ų5276.9 Ų76.932%0.31936%0.357SS..SBendtrans-67.3120.9161.659.10000108.8K268 I310 I311 H315 L316 E317K268-T313 PolarHBondContact NZ-OG1 3.17Å; I310-T313 PolarHBondContact O-N 3.12Å; I310-T313 PolarHBondContact O-OG1 2.92Å; I311-T313 PolarHBondContact O-N 2.92Å; T313-H315 PolarHBondContact O-N 3.19Å; T313-L316 PolarHBondContact O-N 3.44Å; T313-E317 PolarHBondContact O-N 2.85Å
314F55.7Low64.4Low172 Ų17276.8 Ų76.875%0.75435%0.352SS*.Hα-helixtrans-41.3-37.9-166.5-169.3-97.3000115.4K312 N318K312-F314 PolarHBondContact O-N 3.26Å; F314-N318 PolarHBondContact O-N 3.29Å
315H67.5Low65.4Low101 Ų10171.3 Ų71.347%0.46834%0.339SS..Hα-helixtrans-68.9-42.3178.2-169.951.7000114.5T313 L319T313-H315 PolarHBondContact O-N 3.19Å; H315-L319 PolarHBondContact O-N 3.4Å
316L67.3Low66.2Low0 Ų063.1 Ų63.10%031%0.305CS..Hα-helixtrans-73.3-36.2-179.6-77.4174.8000111.6L261 E264 I265 K268 I310 I311 T313 N318 L319 Y320L261-L316 HydrophobicContact CD1-CD2 3.89Å; E264-L316 HydrophobicContact CB-CD2 3.66Å; I265-L316 HydrophobicContact CG1-CD2 3.93Å; K268-L316 HydrophobicContact CD-CD1 3.78Å; K268-L316 HydrophobicContact CG-CD1 4.42Å; I310-L316 HydrophobicContact CG2-CD1 3.9Å; I310-L316 WeakPolarHBondContact O-CD1 3.43Å; I311-L316 CarbonylContact O-C 3.57Å; I311-L316 WeakPolarHBondContact O-CB 3.37Å; T313-L316 PolarHBondContact O-N 3.44Å; L316-N318 VanDerWaalsContact C-N 3.33Å; L316-N318 PolarHBondContact O-N 2.82Å; L316-L319 PolarHBondContact O-N 3.3Å; L316-Y320 WeakPolarHBondContact O-CB 3.44Å; L316-Y320 PolarHBondContact O-N 2.69Å
317E67.9Low67.3Low82 Ų8261.7 Ų61.738%0.38330%0.298SS..Hα-helixtrans-60.6-43.9175.1-176.4169.2-170.300111.2I311 T313 Y320 N321I311-E317 HydrophobicContact CG2-CB 4.39Å; I311-E317 WeakPolarHBondContact O-CA 3.34Å; I311-E317 WeakPolarHBondContact O-CB 3.08Å; I311-E317 PolarHBondContact O-N 2.85Å; T313-E317 PolarHBondContact O-N 2.85Å; E317-Y320 PolarHBondContact O-N 3.18Å; E317-N321 WeakPolarHBondContact O-CB 3.48Å; E317-N321 PolarHBondContact O-N 2.74Å; E317-N321 PolarHBondContact O-ND2 3.41Å
318N74Confident68Low70 Ų7069.6 Ų69.637%0.37433%0.328SS..Hα-helixtrans-60.8-47175.7-172.310000111.9F314 L316 Y320 N321 Q322F314-N318 PolarHBondContact O-N 3.29Å; L316-N318 VanDerWaalsContact C-N 3.33Å; L316-N318 PolarHBondContact O-N 2.82Å; N318-Y320 VanDerWaalsContact C-N 3.35Å; N318-Y320 PolarHBondContact O-N 3.02Å; N318-N321 PolarHBondContact O-N 3.47Å; N318-Q322 VanDerWaalsContact O-CG 3.31Å; N318-Q322 WeakPolarHBondContact O-CG 3.29Å; N318-Q322 PolarHBondContact O-N 2.92Å; N318-Q322 PolarHBondContact OD1-NE2 3.17Å; N318-Q322 VanDerWaalsContact OD1-NE2 3.11Å
319L75.1Confident68.7Low13 Ų1369 Ų697%0.06833%0.329CS..Hα-helixtrans-63.1-40.5177.7-73.9173.4000112.5K260 L261 E264 H315 L316 Q322 M323K260-L319 HydrophobicContact CB-CD2 4.09Å; K260-L319 HydrophobicContact CD-CD2 4.4Å; L261-L319 HydrophobicContact CB-CB 4.31Å; L261-L319 HydrophobicContact CD1-CB 3.84Å; E264-L319 HydrophobicContact CB-CD1 4.15Å; E264-L319 HydrophobicContact CG-CD1 3.76Å; H315-L319 PolarHBondContact O-N 3.4Å; L316-L319 PolarHBondContact O-N 3.3Å; L319-Q322 PolarHBondContact O-N 2.75Å; L319-M323 WeakPolarHBondContact O-CB 3.36Å; L319-M323 PolarHBondContact O-N 3.39Å
320Y73.3Confident69.6Low57 Ų5763.1 Ų63.122%0.22430%0.303CS..Hα-helixtrans-63.2-44.1175.6179.6-96.7000111.6L261 I311 L316 E317 N318 M323 S324L261-Y320 HydrophobicContact CD2-CD2 4Å; I311-Y320 HydrophobicContact CD1-CD2 4.03Å; I311-Y320 HydrophobicContact CD1-CE2 4.48Å; I311-Y320 HydrophobicContact CD1-CG 4.37Å; I311-Y320 HydrophobicContact CG2-CG 4.32Å; L316-Y320 WeakPolarHBondContact O-CB 3.44Å; L316-Y320 PolarHBondContact O-N 2.69Å; E317-Y320 PolarHBondContact O-N 3.18Å; N318-Y320 VanDerWaalsContact C-N 3.35Å; N318-Y320 PolarHBondContact O-N 3.02Å; Y320-M323 HydrophobicContact CD2-CE 3.79Å; Y320-M323 HydrophobicContact CE2-CE 3.83Å; Y320-M323 PolarHBondContact O-N 3.17Å; Y320-S324 WeakPolarHBondContact O-CB 3.32Å; Y320-S324 PolarHBondContact O-N 3.04Å
321N74.8Confident70.6Confident63 Ų6366.6 Ų66.634%0.33732%0.318SS..Hα-helixtrans-64.1-43.6177.4-71.7-19.8000111.5E317 N318 M323 S324 V325E317-N321 WeakPolarHBondContact O-CB 3.48Å; E317-N321 PolarHBondContact O-N 2.74Å; E317-N321 PolarHBondContact O-ND2 3.41Å; N318-N321 PolarHBondContact O-N 3.47Å; N321-M323 VanDerWaalsContact C-N 3.34Å; N321-M323 PolarHBondContact O-N 3.38Å; N321-S324 PolarHBondContact O-N 2.75Å; N321-V325 WeakPolarHBondContact O-CB 3.49Å; N321-V325 VanDerWaalsContact O-CG2 3.3Å; N321-V325 WeakPolarHBondContact O-CG2 3.2Å; N321-V325 PolarHBondContact O-N 3.42Å
322Q79.4Confident71.4Confident67 Ų6769.6 Ų69.631%0.31334%0.337SS..Hα-helixtrans-59.9-43.1174.5-71.3175.29.700112.4H257 N318 L319 S326H257-Q322 PolarHBondContact CE1-OE1 2.92Å; H257-Q322 PolarHBondContact ND1-OE1 2.84Å; H257-Q322 VanDerWaalsContact ND1-OE1 3.08Å; N318-Q322 VanDerWaalsContact O-CG 3.31Å; N318-Q322 WeakPolarHBondContact O-CG 3.29Å; N318-Q322 PolarHBondContact O-N 2.92Å; N318-Q322 PolarHBondContact OD1-NE2 3.17Å; N318-Q322 VanDerWaalsContact OD1-NE2 3.11Å; L319-Q322 PolarHBondContact O-N 2.75Å; Q322-S326 WeakPolarHBondContact O-CB 3.4Å; Q322-S326 PolarHBondContact O-N 2.69Å; Q322-S326 PolarHBondContact O-OG 3.43Å
323M80.5Confident72.3Confident20 Ų2062.6 Ų62.610%0.09931%0.307CS..Hα-helixtrans-62.5-48175.1-178.7-163.97100111.2Y254 H257 K258 L261 L319 Y320 N321 S326 Q327Y254-M323 HydrophobicContact CD2-CG 3.83Å; Y254-M323 HydrophobicContact CE2-CG 3.62Å; Y254-M323 HydrophobicContact CE2-SD 4.26Å; H257-M323 HydrophobicContact CB-CB 3.99Å; K258-M323 HydrophobicContact CB-CG 4.19Å; K258-M323 HydrophobicContact CB-SD 4Å; K258-M323 HydrophobicContact CG-SD 4.06Å; L261-M323 HydrophobicContact CD2-CE 4.01Å; L261-M323 HydrophobicContact CD2-SD 3.82Å; L319-M323 WeakPolarHBondContact O-CB 3.36Å; L319-M323 PolarHBondContact O-N 3.39Å; Y320-M323 HydrophobicContact CD2-CE 3.79Å; Y320-M323 HydrophobicContact CE2-CE 3.83Å; Y320-M323 PolarHBondContact O-N 3.17Å; N321-M323 VanDerWaalsContact C-N 3.34Å; N321-M323 PolarHBondContact O-N 3.38Å; M323-S326 PolarHBondContact O-N 3.33Å; M323-Q327 WeakPolarHBondContact O-CB 3.39Å; M323-Q327 PolarHBondContact O-N 2.72Å
324S71.4Confident73.1Confident27 Ų2765 Ų6519%0.18931%0.313CS..Hα-helixtrans-61.3-44.8-179.2-179.20000112.3Y320 N321 Q327 R328Y320-S324 WeakPolarHBondContact O-CB 3.32Å; Y320-S324 PolarHBondContact O-N 3.04Å; N321-S324 PolarHBondContact O-N 2.75Å; S324-Q327 PolarHBondContact O-N 3.23Å; S324-R328 WeakPolarHBondContact O-CG 3.15Å; S324-R328 PolarHBondContact O-N 3.36Å
325V74.5Confident74.1Confident73 Ų7364.3 Ų64.344%0.44231%0.31SS..Hα-helixtrans-61.6-46.6174.9171.70000110.6N321 Q327 R328 L329N321-V325 WeakPolarHBondContact O-CB 3.49Å; N321-V325 VanDerWaalsContact O-CG2 3.3Å; N321-V325 WeakPolarHBondContact O-CG2 3.2Å; N321-V325 PolarHBondContact O-N 3.42Å; V325-Q327 VanDerWaalsContact C-N 3.31Å; V325-Q327 PolarHBondContact O-N 3.23Å; V325-R328 PolarHBondContact O-N 3.16Å; V325-L329 HydrophobicContact CG1-CD1 4.02Å; V325-L329 HydrophobicContact CG1-CG 4.48Å; V325-L329 WeakPolarHBondContact O-CG 3.34Å; V325-L329 PolarHBondContact O-N 3.29Å
326S72.6Confident74.5Confident14 Ų1464.6 Ų64.610%0.09831%0.311CS..Hα-helixtrans-61.2-39.8178-58.10000112.3H257 Q322 M323 L329 A330H257-S326 PolarHBondContact CD2-OG 2.8Å; Q322-S326 WeakPolarHBondContact O-CB 3.4Å; Q322-S326 PolarHBondContact O-N 2.69Å; Q322-S326 PolarHBondContact O-OG 3.43Å; M323-S326 PolarHBondContact O-N 3.33Å; S326-L329 PolarHBondContact O-N 3.31Å; S326-A330 PolarHBondContact O-N 2.88Å
327Q75.9Confident75.1Confident69 Ų6966.2 Ų66.232%0.32232%0.317SS..Hα-helixtrans-63.3-48.7176.1-176.5-178.7-5.600111.5Y254 M323 S324 V325 L329 A330 Q331Y254-Q327 HydrophobicContact CD2-CB 3.74Å; Y254-Q327 HydrophobicContact CD2-CG 4.44Å; Y254-Q327 HydrophobicContact CE2-CB 3.82Å; Y254-Q327 HydrophobicContact CE2-CG 4.16Å; M323-Q327 WeakPolarHBondContact O-CB 3.39Å; M323-Q327 PolarHBondContact O-N 2.72Å; S324-Q327 PolarHBondContact O-N 3.23Å; V325-Q327 VanDerWaalsContact C-N 3.31Å; V325-Q327 PolarHBondContact O-N 3.23Å; Q327-L329 VanDerWaalsContact C-N 3.32Å; Q327-L329 PolarHBondContact O-N 2.97Å; Q327-A330 PolarHBondContact O-N 3.37Å; Q327-Q331 WeakPolarHBondContact O-CG 3.44Å; Q327-Q331 PolarHBondContact O-N 3.29Å
328R73.5Confident75.5Confident172 Ų17267.5 Ų67.565%0.64932%0.322SS*.Hα-helixtrans-59.2-44.1177.8-74.7-176.7-175.6-177.21111.2S324 V325 A330 Q331 T332S324-R328 WeakPolarHBondContact O-CG 3.15Å; S324-R328 PolarHBondContact O-N 3.36Å; V325-R328 PolarHBondContact O-N 3.16Å; R328-A330 VanDerWaalsContact C-N 3.33Å; R328-A330 PolarHBondContact O-N 3.35Å; R328-Q331 PolarHBondContact O-N 3.01Å; R328-T332 WeakPolarHBondContact O-CG2 3.43Å; R328-T332 PolarHBondContact O-N 2.92Å; R328-T332 PolarHBondContact O-OG1 3.34Å
329L74.9Confident75.6Confident82 Ų8271.6 Ų71.643%0.42934%0.336SS..Hα-helixtrans-63.3-36.4177.5-72.3173.5000113K250 V325 S326 Q327 T332 T333K250-L329 HydrophobicContact CD-CB 4.16Å; K250-L329 WeakPolarHBondContact CD-O 3.3Å; K250-L329 PolarHBondContact NZ-O 2.96Å; V325-L329 HydrophobicContact CG1-CD1 4.02Å; V325-L329 HydrophobicContact CG1-CG 4.48Å; V325-L329 WeakPolarHBondContact O-CG 3.34Å; V325-L329 PolarHBondContact O-N 3.29Å; S326-L329 PolarHBondContact O-N 3.31Å; Q327-L329 VanDerWaalsContact C-N 3.32Å; Q327-L329 PolarHBondContact O-N 2.97Å; L329-T332 PolarHBondContact O-OG1 3.12Å; L329-T333 PolarHBondContact O-N 3.32Å; L329-T333 PolarHBondContact O-OG1 2.96Å
330A75.8Confident75.7Confident7 Ų772.4 Ų72.46%0.05834%0.34CS..Hα-helixtrans-69.9-42.3175.200000111.4L247 K250 M251 S326 Q327 R328 T333 F334L247-A330 HydrophobicContact CD1-CB 4.36Å; L247-A330 VanDerWaalsContact CD1-O 3.3Å; L247-A330 WeakPolarHBondContact CD1-O 2.99Å; K250-A330 HydrophobicContact CB-CB 4.19Å; M251-A330 HydrophobicContact SD-CB 4.4Å; S326-A330 PolarHBondContact O-N 2.88Å; Q327-A330 PolarHBondContact O-N 3.37Å; R328-A330 VanDerWaalsContact C-N 3.33Å; R328-A330 PolarHBondContact O-N 3.35Å; A330-T333 PolarHBondContact O-N 3.4Å; A330-F334 WeakPolarHBondContact O-CB 3.33Å; A330-F334 PolarHBondContact O-N 2.63Å
331Q75.2Confident75.9Confident99 Ų9976 Ų7646%0.46335%0.353SS..Hα-helixtrans-63.2-42.8178.3-74.2176-15.200112.6Q327 R328 F334 K335Q327-Q331 WeakPolarHBondContact O-CG 3.44Å; Q327-Q331 PolarHBondContact O-N 3.29Å; R328-Q331 PolarHBondContact O-N 3.01Å; Q331-F334 PolarHBondContact O-N 3.4Å; Q331-K335 WeakPolarHBondContact O-CG 3.44Å; Q331-K335 PolarHBondContact O-N 3.4Å
332T75.2Confident75.7Confident70 Ų7077.6 Ų77.643%0.42936%0.359SS..Hα-helixtrans-63.9-44.1177.452.70000111.4R328 L329 F334 K335 Q336R328-T332 WeakPolarHBondContact O-CG2 3.43Å; R328-T332 PolarHBondContact O-N 2.92Å; R328-T332 PolarHBondContact O-OG1 3.34Å; L329-T332 PolarHBondContact O-OG1 3.12Å; T332-F334 VanDerWaalsContact C-N 3.35Å; T332-F334 PolarHBondContact O-N 2.91Å; T332-K335 PolarHBondContact O-N 3.42Å; T332-Q336 WeakPolarHBondContact O-CG 3.32Å; T332-Q336 PolarHBondContact O-N 3.05Å; T332-Q336 VanDerWaalsContact O-N 3.08Å
333T73.6Confident75.5Confident4 Ų477.3 Ų77.33%0.02536%0.358CS..Hα-helixtrans-64.3-37.5175.7-62.60000112.5M243 T246 L247 K250 L329 A330 Q336 W337M243-T333 HydrophobicContact CG-CG2 3.68Å; T246-T333 HydrophobicContact CG2-CG2 4.31Å; L247-T333 HydrophobicContact CB-CG2 3.99Å; L247-T333 HydrophobicContact CD1-CG2 4.4Å; K250-T333 PolarHBondContact NZ-OG1 3.28Å; L329-T333 PolarHBondContact O-N 3.32Å; L329-T333 PolarHBondContact O-OG1 2.96Å; A330-T333 PolarHBondContact O-N 3.4Å; T333-Q336 PolarHBondContact O-N 2.57Å; T333-W337 WeakPolarHBondContact O-CB 3.23Å; T333-W337 PolarHBondContact O-N 2.89Å
334F76.8Confident75.4Confident103 Ų10377.6 Ų77.645%0.45236%0.358SS..Hα-helixtrans-63.5-43.3174.4178.9-103.4000112.4L247 A330 Q331 T332 Q336 W337 K338L247-F334 HydrophobicContact CD1-CB 4.1Å; L247-F334 HydrophobicContact CD2-CB 4.33Å; L247-F334 HydrophobicContact CD2-CD2 3.94Å; A330-F334 WeakPolarHBondContact O-CB 3.33Å; A330-F334 PolarHBondContact O-N 2.63Å; Q331-F334 PolarHBondContact O-N 3.4Å; T332-F334 VanDerWaalsContact C-N 3.35Å; T332-F334 PolarHBondContact O-N 2.91Å; F334-Q336 PolarHBondContact O-N 3.08Å; F334-W337 HydrophobicContact CD2-CE3 4.39Å; F334-W337 HydrophobicContact CE2-CE3 4.26Å; F334-W337 HydrophobicContact CE2-CZ3 4.17Å; F334-W337 PolarHBondContact O-N 3.25Å; F334-K338 PolarHBondContact O-N 3.32Å
335K76.1Confident75.4Confident158 Ų15881.4 Ų81.469%0.68737%0.373SS*.Hα-helixtrans-60.1-44.5175.6-74.1-178.3179-175.30111.9Q331 T332 K338 K339Q331-K335 WeakPolarHBondContact O-CG 3.44Å; Q331-K335 PolarHBondContact O-N 3.4Å; T332-K335 PolarHBondContact O-N 3.42Å; K335-K338 PolarHBondContact O-N 3.25Å; K335-K339 PolarHBondContact O-N 2.95Å; K335-K339 VanDerWaalsContact O-N 3.07Å
336Q76.4Confident74.9Confident106 Ų10681.9 Ų81.950%0.49538%0.376SS..Hα-helixtrans-62.2-44.3176.8-71.6174.3-22.500111.7M243 T332 T333 F334 K338 K339 L340M243-Q336 HydrophobicContact CE-CB 3.87Å; M243-Q336 HydrophobicContact SD-CB 3.55Å; M243-Q336 VanDerWaalsContact SD-CB 3.55Å; T332-Q336 WeakPolarHBondContact O-CG 3.32Å; T332-Q336 PolarHBondContact O-N 3.05Å; T332-Q336 VanDerWaalsContact O-N 3.08Å; T333-Q336 PolarHBondContact O-N 2.57Å; F334-Q336 PolarHBondContact O-N 3.08Å; Q336-K338 VanDerWaalsContact C-N 3.32Å; Q336-K338 PolarHBondContact O-N 3.41Å; Q336-K339 PolarHBondContact O-N 2.89Å; Q336-L340 PolarHBondContact O-N 3.19Å
337W79.2Confident74.5Confident34 Ų3481.7 Ų81.713%0.12937%0.374CS..Hα-helixtrans-62.9-38.7177.4178.685.7000112.5M240 M243 T333 F334 L340 R341M240-W337 PolarHBondContact O-NE1 2.94Å; M243-W337 HydrophobicContact CG-CB 4.01Å; M243-W337 HydrophobicContact SD-CB 3.92Å; M243-W337 PolarHBondContact SD-N 3.45Å; T333-W337 WeakPolarHBondContact O-CB 3.23Å; T333-W337 PolarHBondContact O-N 2.89Å; F334-W337 HydrophobicContact CD2-CE3 4.39Å; F334-W337 HydrophobicContact CE2-CE3 4.26Å; F334-W337 HydrophobicContact CE2-CZ3 4.17Å; F334-W337 PolarHBondContact O-N 3.25Å; W337-L340 PolarHBondContact O-N 2.91Å; W337-R341 VanDerWaalsContact CZ2-NH2 3.26Å; W337-R341 PolarHBondContact O-N 3.18Å
338K76.9Confident74Confident110 Ų11081.9 Ų81.948%0.47838%0.375SS..Hα-helixtrans-62.1-44.8174.9-166.4-172.2-178.1-155.70111.5F334 K335 Q336 L340 R341 E342F334-K338 PolarHBondContact O-N 3.32Å; K335-K338 PolarHBondContact O-N 3.25Å; Q336-K338 VanDerWaalsContact C-N 3.32Å; Q336-K338 PolarHBondContact O-N 3.41Å; K338-L340 PolarHBondContact O-N 2.7Å; K338-R341 WeakPolarHBondContact O-CB 3.36Å; K338-R341 PolarHBondContact O-N 3.1Å; K338-R341 VanDerWaalsContact O-N 3.15Å; K338-E342 WeakPolarHBondContact CE-OE1 3.39Å; K338-E342 IonicContact NZ-OE1 3.77Å; K338-E342 WeakPolarHBondContact O-CG 3.32Å; K338-E342 PolarHBondContact O-N 2.67Å
339K77.4Confident73.3Confident155 Ų15577.3 Ų77.367%0.67436%0.363SS*.Hα-helixtrans-59-44.4176.6-170.3-179.4179.4-1760111.9K335 Q336 R341 E342 E343K335-K339 PolarHBondContact O-N 2.95Å; K335-K339 VanDerWaalsContact O-N 3.07Å; Q336-K339 PolarHBondContact O-N 2.89Å; K339-R341 VanDerWaalsContact C-N 3.32Å; K339-R341 PolarHBondContact O-N 2.8Å; K339-E342 PolarHBondContact O-N 3.02Å; K339-E343 PolarHBondContact O-N 3.01Å
340L75.8Confident72.4Confident30 Ų3075.1 Ų75.116%0.15735%0.351CS..Hα-helixtrans-63.5-37176-69174.2000112.6L236 M239 M240 M243 Q336 W337 K338 K344L236-L340 HydrophobicContact CD2-CD2 3.78Å; M239-L340 HydrophobicContact CB-CD1 4.23Å; M239-L340 HydrophobicContact CE-CD2 4.26Å; M240-L340 HydrophobicContact CG-CB 3.84Å; M243-L340 HydrophobicContact CE-CD1 4.37Å; M243-L340 HydrophobicContact SD-CD1 3.86Å; Q336-L340 PolarHBondContact O-N 3.19Å; W337-L340 PolarHBondContact O-N 2.91Å; K338-L340 PolarHBondContact O-N 2.7Å; L340-K344 WeakPolarHBondContact O-CB 3.26Å; L340-K344 PolarHBondContact O-N 3.05Å
341R77.3Confident71.5Confident132 Ų13275 Ų7550%0.49835%0.349SS..Hα-helixtrans-65.7-43.6176.1178-178.8-83.9-162.2-14.9111.8M240 W337 K338 K339 K344 H345M240-R341 HydrophobicContact CE-CB 3.71Å; M240-R341 HydrophobicContact CE-CG 4.08Å; M240-R341 HydrophobicContact SD-CB 4.42Å; W337-R341 VanDerWaalsContact CZ2-NH2 3.26Å; W337-R341 PolarHBondContact O-N 3.18Å; K338-R341 WeakPolarHBondContact O-CB 3.36Å; K338-R341 PolarHBondContact O-N 3.1Å; K338-R341 VanDerWaalsContact O-N 3.15Å; K339-R341 VanDerWaalsContact C-N 3.32Å; K339-R341 PolarHBondContact O-N 2.8Å; R341-K344 PolarHBondContact O-N 3.16Å; R341-H345 WeakPolarHBondContact O-CB 3.38Å; R341-H345 PolarHBondContact O-N 3.28Å
342E71.2Confident70.5Confident98 Ų9875.5 Ų75.546%0.45835%0.352SS..Hα-helixtrans-64.2-42.8176.9-71.5166.7-175.700111K338 K339 H345 T346K338-E342 WeakPolarHBondContact CE-OE1 3.39Å; K338-E342 IonicContact NZ-OE1 3.77Å; K338-E342 WeakPolarHBondContact O-CG 3.32Å; K338-E342 PolarHBondContact O-N 2.67Å; K339-E342 PolarHBondContact O-N 3.02Å; E342-H345 PolarHBondContact O-N 3.14Å; E342-T346 PolarHBondContact O-N 3.5Å; E342-T346 PolarHBondContact O-OG1 3.04Å
343E76Confident69.1Low61 Ų6177.5 Ų77.529%0.28535%0.352SS..Hα-helixtrans-59.9-49.9173-173.1-178.7171.500111.5K232 L236 K339 H345 T346 I347K232-E343 VanDerWaalsContact CE-OE1 3.29Å; K232-E343 WeakPolarHBondContact CE-OE1 3.43Å; K232-E343 IonicContact NZ-OE1 3.29Å; K232-E343 PolarHBondContact NZ-OE1 2.97Å; L236-E343 HydrophobicContact CD1-CG 4.13Å; L236-E343 HydrophobicContact CD2-CG 4.44Å; K339-E343 PolarHBondContact O-N 3.01Å; E343-H345 VanDerWaalsContact C-N 3.34Å; E343-H345 PolarHBondContact O-N 3.46Å; E343-T346 PolarHBondContact O-N 2.9Å; E343-I347 HydrophobicContact CG-CD1 3.95Å; E343-I347 WeakPolarHBondContact O-CG1 3.17Å; E343-I347 PolarHBondContact O-N 3.12Å; E343-I347 VanDerWaalsContact O-N 3.11Å
344K77.3Confident67.8Low25 Ų2578.2 Ų78.211%0.10936%0.355CS..Hα-helixtrans-57.7-46.3177.3-179.4177.5166175.30111.4L236 E237 M240 L340 R341 T346 I347 E348L236-K344 HydrophobicContact CB-CB 4.23Å; L236-K344 HydrophobicContact CD1-CB 4.14Å; E237-K344 IonicContact OE1-NZ 2.57Å; E237-K344 IonicContact OE2-NZ 3.51Å; E237-K344 PolarHBondContact OE2-NZ 2.92Å; M240-K344 HydrophobicContact SD-CB 4.18Å; M240-K344 HydrophobicContact SD-CD 3.84Å; L340-K344 WeakPolarHBondContact O-CB 3.26Å; L340-K344 PolarHBondContact O-N 3.05Å; R341-K344 PolarHBondContact O-N 3.16Å; K344-T346 VanDerWaalsContact C-N 3.32Å; K344-T346 PolarHBondContact O-N 3.48Å; K344-I347 PolarHBondContact O-N 2.81Å; K344-E348 WeakPolarHBondContact CE-OE1 3.41Å; K344-E348 HydrophobicContact CG-CG 4.17Å; K344-E348 IonicContact NZ-OE1 3.52Å; K344-E348 PolarHBondContact NZ-OE1 2.87Å; K344-E348 WeakPolarHBondContact O-CB 3.49Å; K344-E348 WeakPolarHBondContact O-CG 3.22Å; K344-E348 PolarHBondContact O-N 3.2Å
345H71.4Confident66.3Low107 Ų10778.7 Ų78.750%0.49535%0.354SS..Hα-helixtrans-61.9-40.1-179.2-176.654000112.6R341 E342 E343 I347 E348 L349R341-H345 WeakPolarHBondContact O-CB 3.38Å; R341-H345 PolarHBondContact O-N 3.28Å; E342-H345 PolarHBondContact O-N 3.14Å; E343-H345 VanDerWaalsContact C-N 3.34Å; E343-H345 PolarHBondContact O-N 3.46Å; H345-I347 VanDerWaalsContact C-N 3.34Å; H345-E348 PolarHBondContact O-N 3.15Å; H345-L349 WeakPolarHBondContact NE2-CD1 3.3Å; H345-L349 WeakPolarHBondContact O-CB 3.36Å; H345-L349 PolarHBondContact O-N 3.02Å
346T65.1Low64.4Low83 Ų8375.8 Ų75.851%0.50935%0.346SS..Hα-helixtrans-63.9-42.4178.4-50.60000110.7E342 E343 K344 H350E342-T346 PolarHBondContact O-N 3.5Å; E342-T346 PolarHBondContact O-OG1 3.04Å; E343-T346 PolarHBondContact O-N 2.9Å; K344-T346 VanDerWaalsContact C-N 3.32Å; K344-T346 PolarHBondContact O-N 3.48Å; T346-H350 PolarHBondContact O-N 2.96Å
347I64.1Low62.6Low11 Ų1177 Ų776%0.05635%0.35CS..Hα-helixtrans-70.4-41.3177-62.4167.3000111.1V229 K232 C233 L236 E343 K344 H345 H350 S351V229-I347 HydrophobicContact CG1-CG2 3.6Å; K232-I347 HydrophobicContact CD-CD1 3.88Å; K232-I347 HydrophobicContact CG-CD1 4.28Å; C233-I347 WeakPolarHBondContact SG-CG2 3.42Å; L236-I347 HydrophobicContact CD1-CD1 3.59Å; E343-I347 HydrophobicContact CG-CD1 3.95Å; E343-I347 WeakPolarHBondContact O-CG1 3.17Å; E343-I347 PolarHBondContact O-N 3.12Å; E343-I347 VanDerWaalsContact O-N 3.11Å; K344-I347 PolarHBondContact O-N 2.81Å; H345-I347 VanDerWaalsContact C-N 3.34Å; I347-H350 WeakPolarHBondContact O-CB 3.33Å; I347-H350 PolarHBondContact O-N 3.25Å; I347-S351 PolarHBondContact O-N 2.9Å
348E65.3Low60.8Low73 Ų7384.5 Ų84.534%0.34138%0.383SS..Hα-helixtrans-62.5-47.1177.2-81.5-177.5150.800111.7K344 H345 H350 S351 E352K344-E348 WeakPolarHBondContact CE-OE1 3.41Å; K344-E348 HydrophobicContact CG-CG 4.17Å; K344-E348 IonicContact NZ-OE1 3.52Å; K344-E348 PolarHBondContact NZ-OE1 2.87Å; K344-E348 WeakPolarHBondContact O-CB 3.49Å; K344-E348 WeakPolarHBondContact O-CG 3.22Å; K344-E348 PolarHBondContact O-N 3.2Å; H345-E348 PolarHBondContact O-N 3.15Å; E348-H350 PolarHBondContact O-N 2.92Å; E348-S351 WeakPolarHBondContact CA-OG 3.24Å; E348-S351 CarbonylContact O-C 3.56Å; E348-S351 PolarHBondContact O-N 3.46Å; E348-S351 VanDerWaalsContact O-N 3.11Å; E348-S351 PolarHBondContact O-OG 3.42Å; E348-E352 WeakPolarHBondContact O-CB 3.45Å; E348-E352 PolarHBondContact O-N 2.87Å
349L58.8Low58.9Low76 Ų7686.7 Ų86.740%0.39840%0.4SS..Hα-helixtrans-53.5-47.7172.8-89.3164.1000110.2H345 S351 E352 Y353H345-L349 WeakPolarHBondContact NE2-CD1 3.3Å; H345-L349 WeakPolarHBondContact O-CB 3.36Å; H345-L349 PolarHBondContact O-N 3.02Å; L349-S351 VanDerWaalsContact C-N 3.34Å; L349-S351 PolarHBondContact O-N 3.4Å; L349-E352 PolarHBondContact O-N 3.33Å; L349-Y353 HydrophobicContact CD2-CE2 4.11Å; L349-Y353 VanDerWaalsContact O-CD2 3.24Å; L349-Y353 WeakPolarHBondContact O-CD2 3.42Å; L349-Y353 PolarHBondContact O-N 3.43Å
350H55.6Low56.7Low36 Ų3685.2 Ų85.217%0.16740%0.399CS..Hα-helixtrans-60.4-44.9178-153.258.6000111.7Y34 L35 T346 I347 E348 I354Y34-H350 AromaticContact CD1-CE1 3.9Å; Y34-H350 AromaticContact CD1-NE2 3.78Å; Y34-H350 AromaticContact CE1-CE1 3.41Å; Y34-H350 VanDerWaalsContact CE1-CE1 3.41Å; Y34-H350 WeakPolarHBondContact CE1-CE1 3.34Å; Y34-H350 AromaticContact CE1-NE2 3.49Å; Y34-H350 WeakPolarHBondContact CE1-NE2 3.47Å; L35-H350 VanDerWaalsContact CD2-CD2 3.5Å; L35-H350 WeakPolarHBondContact CD2-CD2 3.2Å; L35-H350 VanDerWaalsContact CD2-NE2 3.26Å; L35-H350 WeakPolarHBondContact CD2-NE2 3.24Å; T346-H350 PolarHBondContact O-N 2.96Å; I347-H350 WeakPolarHBondContact O-CB 3.33Å; I347-H350 PolarHBondContact O-N 3.25Å; E348-H350 PolarHBondContact O-N 2.92Å; H350-I354 VanDerWaalsContact O-CD1 3.25Å; H350-I354 WeakPolarHBondContact O-CD1 3.32Å; H350-I354 WeakPolarHBondContact O-CG1 3.48Å; H350-I354 PolarHBondContact O-N 2.88Å; H350-I354 VanDerWaalsContact O-N 3.16Å
351S56.9Low54.8Low4 Ų492.8 Ų92.83%0.02843%0.431CS..Hα-helixtrans-65.8-40.8177.979.10000113.2I347 E348 L349 I354 R355I347-S351 PolarHBondContact O-N 2.9Å; E348-S351 WeakPolarHBondContact CA-OG 3.24Å; E348-S351 CarbonylContact O-C 3.56Å; E348-S351 PolarHBondContact O-N 3.46Å; E348-S351 VanDerWaalsContact O-N 3.11Å; E348-S351 PolarHBondContact O-OG 3.42Å; L349-S351 VanDerWaalsContact C-N 3.34Å; L349-S351 PolarHBondContact O-N 3.4Å; S351-I354 CarbonylContact O-C 3.51Å; S351-I354 PolarHBondContact O-N 2.81Å; S351-R355 WeakPolarHBondContact O-CB 3.3Å; S351-R355 WeakPolarHBondContact O-CG 3.43Å; S351-R355 PolarHBondContact O-N 3.37Å
352E53.7Low52.7Low110 Ų11090.4 Ų90.451%0.51443%0.427SS..Hα-helixtrans-67-42.9179.9-84.9-74.7147.500110.1E348 L349 I354 R355 L356E348-E352 WeakPolarHBondContact O-CB 3.45Å; E348-E352 PolarHBondContact O-N 2.87Å; L349-E352 PolarHBondContact O-N 3.33Å; E352-I354 VanDerWaalsContact C-N 3.28Å; E352-I354 PolarHBondContact O-N 3.5Å; E352-R355 CarbonylContact O-C 3.01Å; E352-R355 WeakPolarHBondContact O-CA 3.38Å; E352-R355 PolarHBondContact O-N 3.27Å; E352-L356 WeakPolarHBondContact O-CG 3.15Å; E352-L356 PolarHBondContact O-N 3.39Å
353Y47.3Very low51.1Low112 Ų11289.4 Ų89.444%0.43942%0.423SS..Hα-helixtrans-60.9-38.5174.2-88.7-74.7000112.3L349 L356 P372L349-Y353 HydrophobicContact CD2-CE2 4.11Å; L349-Y353 VanDerWaalsContact O-CD2 3.24Å; L349-Y353 WeakPolarHBondContact O-CD2 3.42Å; L349-Y353 PolarHBondContact O-N 3.43Å; Y353-L356 HydrophobicContact CD1-CD1 3.82Å; Y353-L356 HydrophobicContact CE1-CD1 4.19Å; Y353-L356 HydrophobicContact CG-CD1 4.49Å; Y353-P372 HydrophobicContact CE1-CG 4.28Å
354I46.2Very low49.3Very low18 Ų1891.5 Ų91.59%0.09243%0.432CS..Hα-helixtrans-69.5-36.3173.8-63.9164.9000111.1L35 Y222 L226 H350 S351 E352L35-I354 HydrophobicContact CD1-CD1 3.96Å; L35-I354 HydrophobicContact CD2-CD1 3.98Å; Y222-I354 HydrophobicContact CE2-CG2 3.67Å; Y222-I354 WeakPolarHBondContact OH-CG2 3.47Å; Y222-I354 PolarHBondContact OH-O 3.47Å; L226-I354 HydrophobicContact CD1-CG2 3.62Å; L226-I354 HydrophobicContact CD2-CB 4.29Å; L226-I354 HydrophobicContact CD2-CG2 3.61Å; L226-I354 HydrophobicContact CG-CG2 3.71Å; H350-I354 VanDerWaalsContact O-CD1 3.25Å; H350-I354 WeakPolarHBondContact O-CD1 3.32Å; H350-I354 WeakPolarHBondContact O-CG1 3.48Å; H350-I354 PolarHBondContact O-N 2.88Å; H350-I354 VanDerWaalsContact O-N 3.16Å; S351-I354 CarbonylContact O-C 3.51Å; S351-I354 PolarHBondContact O-N 2.81Å; E352-I354 VanDerWaalsContact C-N 3.28Å; E352-I354 PolarHBondContact O-N 3.5Å
355R45.4Very low47.5Very low113 Ų11391.9 Ų91.943%0.42644%0.435SS..Hα-helixtrans-84.6-2.9-179.4-75.6170.9167-164.3-5114.5L226 D230 S351 E352 K357L226-R355 HydrophobicContact CD2-CG 4.16Å; D230-R355 IonicContact OD1-CZ 2.89Å; D230-R355 VanDerWaalsContact OD1-CZ 3.23Å; D230-R355 IonicContact OD1-NE 3.24Å; D230-R355 IonicContact OD1-NH2 2.74Å; D230-R355 PolarHBondContact OD1-NH2 2.78Å; D230-R355 IonicContact OD2-CZ 2.74Å; D230-R355 IonicContact OD2-NE 4Å; D230-R355 IonicContact OD2-NH2 2.81Å; D230-R355 PolarHBondContact OD2-NH2 3.34Å; S351-R355 WeakPolarHBondContact O-CB 3.3Å; S351-R355 WeakPolarHBondContact O-CG 3.43Å; S351-R355 PolarHBondContact O-N 3.37Å; E352-R355 CarbonylContact O-C 3.01Å; E352-R355 WeakPolarHBondContact O-CA 3.38Å; E352-R355 PolarHBondContact O-N 3.27Å; R355-K357 CarbonylContact O-C 3.55Å; R355-K357 VanDerWaalsContact O-CA 3.32Å; R355-K357 WeakPolarHBondContact O-CA 3.21Å; R355-K357 PolarHBondContact O-N 2.86Å
356L35.8Very low46.1Very low97 Ų9789 Ų8951%0.50842%0.423SS..  trans-59.17.1178-87171.2000114.4E352 Y353 K358E352-L356 WeakPolarHBondContact O-CG 3.15Å; E352-L356 PolarHBondContact O-N 3.39Å; Y353-L356 HydrophobicContact CD1-CD1 3.82Å; Y353-L356 HydrophobicContact CE1-CD1 4.19Å; Y353-L356 HydrophobicContact CG-CD1 4.49Å; L356-K358 PolarHBondContact O-N 3.41Å
357K38.6Very low45Very low133 Ų13387.7 Ų87.758%0.57841%0.409SS*.THydrogen-bonded Turntrans-57.4102.3142.6-75.9-171.4177.4-177.80112.2R355 H363R355-K357 CarbonylContact O-C 3.55Å; R355-K357 VanDerWaalsContact O-CA 3.32Å; R355-K357 WeakPolarHBondContact O-CA 3.21Å; R355-K357 PolarHBondContact O-N 2.86Å; K357-H363 WeakPolarHBondContact CE-NE2 3.5Å; K357-H363 WeakPolarHBondContact CG-NE2 3.33Å
358K41.9Very low43.9Very low191 Ų19192.4 Ų92.483%0.8343%0.429SS*.THydrogen-bonded Turn-139.7-34.7119.4-118.2172.1-173.8-179.20115.6L356L356-K358 PolarHBondContact O-N 3.41Å
359N35.9Very low42.7Very low156 Ų15695.9 Ų95.983%0.83444%0.44SS*.THydrogen-bonded Turntrans-133.3-8.4-178.5-81.2-5.9000117.2
360N31.6Very low41.8Very low124 Ų12499.3 Ų99.366%0.66346%0.459SS*.  trans-113.8124.5-177-71.2-7.1000111.4I362N360-I362 HydrophobicContact CB-CG1 4.44Å; N360-I362 PolarHBondContact O-N 2.9Å
361K35.2Very low41.2Very low189 Ų18998.3 Ų98.382%0.82246%0.455SS*.  trans-63.760.8177.7-63.2175.7175.8-179.80112.4H363K361-H363 VanDerWaalsContact C-N 3.26Å
362I34.5Very low40.5Very low82 Ų82100.2 Ų100.242%0.42147%0.467SS..  trans-82.9-7172.8-57179.2000111.1N360 H364 N365N360-I362 HydrophobicContact CB-CG1 4.44Å; N360-I362 PolarHBondContact O-N 2.9Å; I362-H364 PolarHBondContact O-N 3.19Å; I362-N365 PolarHBondContact O-N 3.05Å
363H37Very low40.1Very low77 Ų77100.4 Ų100.436%0.35647%0.471SS..THydrogen-bonded Turntrans-61.64.3174.7-78.8-61.2000116.5S24 K357 K361S24-H363 WeakPolarHBondContact CB-O 3.38Å; K357-H363 WeakPolarHBondContact CE-NE2 3.5Å; K357-H363 WeakPolarHBondContact CG-NE2 3.33Å; K361-H363 VanDerWaalsContact C-N 3.26Å
364H37.7Very low39.7Very low105 Ų10599.3 Ų99.349%0.48648%0.476SS..THydrogen-bonded Turntrans-120.2-5177.9-71-29.5000115.1I362I362-H364 PolarHBondContact O-N 3.19Å
365N39.5Very low39.6Very low32 Ų3299.5 Ų99.517%0.17148%0.477CS..  trans-149.824.4-157.3-72.7-38.1000115.8I362 W367 K368 Y369I362-N365 PolarHBondContact O-N 3.05Å; N365-W367 PolarHBondContact O-N 2.91Å; N365-K368 HydrophobicContact CB-CB 3.98Å; N365-K368 HydrophobicContact CB-CG 4.2Å; N365-K368 PolarHBondContact O-N 3.03Å; N365-K368 WeakPolarHBondContact OD1-CD 3.29Å; N365-K368 WeakPolarHBondContact OD1-CE 3.13Å; N365-K368 VanDerWaalsContact OD1-CG 3.29Å; N365-K368 WeakPolarHBondContact OD1-CG 3.4Å; N365-Y369 HydrophobicContact CB-CD2 3.67Å; N365-Y369 HydrophobicContact CB-CE2 3.45Å; N365-Y369 VanDerWaalsContact CB-CE2 3.45Å; N365-Y369 WeakPolarHBondContact O-CD2 3.17Å; N365-Y369 PolarHBondContact O-N 2.94Å
366L42.7Very low39.7Very low46 Ų4698.5 Ų98.524%0.24148%0.476CS..THydrogen-bonded Turntrans-54.3-36.6169-82.7157.4000109.9E27 I371 L375E27-L366 VanDerWaalsContact OE1-CB 3.3Å; E27-L366 WeakPolarHBondContact OE1-CB 3.37Å; E27-L366 PolarHBondContact OE1-N 2.95Å; L366-I371 WeakPolarHBondContact O-CG1 3.16Å; L366-L375 HydrophobicContact CD2-CD1 3.56Å
367W41.7Very low40.5Very low56 Ų5698.5 Ų98.521%0.21248%0.48CS..THydrogen-bonded Turntrans-52.1-44.9165157.8-90.3000116.2I23 E27 N365 I423 E564I23-W367 HydrophobicContact CD1-CB 4.45Å; I23-W367 HydrophobicContact CD1-CD2 4.42Å; I23-W367 HydrophobicContact CD1-CG 3.91Å; I23-W367 HydrophobicContact CG2-CB 3.86Å; I23-W367 HydrophobicContact CG2-CG 4.4Å; E27-W367 PolarHBondContact OE1-N 3.44Å; N365-W367 PolarHBondContact O-N 2.91Å; W367-I423 HydrophobicContact CB-CD1 4.39Å; W367-I423 HydrophobicContact CE3-CD1 4.43Å; W367-I423 HydrophobicContact CE3-CG2 4.43Å; W367-E564 WeakPolarHBondContact CH2-OE1 3.01Å; W367-E564 WeakPolarHBondContact CH2-OE2 3.49Å; W367-E564 WeakPolarHBondContact CZ2-OE1 3.35Å
368K40.8Very low41.5Very low110 Ų11092.5 Ų92.548%0.47846%0.455SS..THydrogen-bonded Turntrans-83.1-22.5-175.9-60.2-164.4-177.3177.30113.3D20 N365D20-K368 IonicContact OD1-NZ 2.69Å; D20-K368 IonicContact OD2-NZ 3.23Å; D20-K368 PolarHBondContact OD2-NZ 3.25Å; N365-K368 HydrophobicContact CB-CB 3.98Å; N365-K368 HydrophobicContact CB-CG 4.2Å; N365-K368 PolarHBondContact O-N 3.03Å; N365-K368 WeakPolarHBondContact OD1-CD 3.29Å; N365-K368 WeakPolarHBondContact OD1-CE 3.13Å; N365-K368 VanDerWaalsContact OD1-CG 3.29Å; N365-K368 WeakPolarHBondContact OD1-CG 3.4Å
369Y39.7Very low42.7Very low147 Ų14786.7 Ų86.758%0.57643%0.43SS*.SBendtrans-96.1154.5-179.2-65.5-66.1000110.4N365 I371N365-Y369 HydrophobicContact CB-CD2 3.67Å; N365-Y369 HydrophobicContact CB-CE2 3.45Å; N365-Y369 VanDerWaalsContact CB-CE2 3.45Å; N365-Y369 WeakPolarHBondContact O-CD2 3.17Å; N365-Y369 PolarHBondContact O-N 2.94Å; Y369-I371 VanDerWaalsContact C-N 3.27Å; Y369-I371 PolarHBondContact O-N 3.1Å
370D40.6Very low44.1Very low147 Ų14779.3 Ų79.379%0.78639%0.391SS*.  trans-53.398.7168.2-92.8-42.5000108.1P372D370-P372 VanDerWaalsContact O-CD 3.24Å; D370-P372 WeakPolarHBondContact O-CD 2.86Å
371I43.2Very low45.7Very low16 Ų1677.8 Ų77.88%0.08238%0.38CS..  trans-50.9117.1174.3-64.6167.9000104.8L366 Y369 D373 L375 K376 I419L366-I371 WeakPolarHBondContact O-CG1 3.16Å; Y369-I371 VanDerWaalsContact C-N 3.27Å; Y369-I371 PolarHBondContact O-N 3.1Å; I371-D373 PolarHBondContact O-N 3.33Å; I371-L375 HydrophobicContact CG2-CB 3.36Å; I371-L375 HydrophobicContact CG2-CD1 4.43Å; I371-L375 HydrophobicContact CG2-CG 4.48Å; I371-K376 HydrophobicContact CB-CG 4.01Å; I371-K376 HydrophobicContact CG2-CG 3.8Å; I371-K376 WeakPolarHBondContact O-CE 3.39Å; I371-I419 HydrophobicContact CD1-CG2 3.64Å
372P41.3Very low47.1Very low43 Ų4370.6 Ų70.628%0.27935%0.352SS..  trans-47.9136.6177.5-2833.2000108.8Y353 D370 T374 L375 K376Y353-P372 HydrophobicContact CE1-CG 4.28Å; D370-P372 VanDerWaalsContact O-CD 3.24Å; D370-P372 WeakPolarHBondContact O-CD 2.86Å; P372-T374 PolarHBondContact O-N 3.16Å; P372-L375 WeakPolarHBondContact O-CA 3.3Å; P372-L375 PolarHBondContact O-N 3.4Å; P372-K376 PolarHBondContact O-N 3.5Å
373D45.6Very low48.6Very low115 Ų11570.5 Ų70.562%0.61536%0.355SS*.Hα-helixtrans-54.5-26.5-172.6-68.4-31.3000112.6I371 L375 K376 T377I371-D373 PolarHBondContact O-N 3.33Å; D373-L375 VanDerWaalsContact C-N 3.33Å; D373-L375 PolarHBondContact O-N 2.93Å; D373-K376 WeakPolarHBondContact O-CB 3.28Å; D373-K376 PolarHBondContact O-N 2.71Å; D373-K376 IonicContact OD1-NZ 2.78Å; D373-K376 PolarHBondContact OD1-NZ 3.39Å; D373-T377 PolarHBondContact O-N 2.96Å
374T39.7Very low50.3Low89 Ų8967.8 Ų67.855%0.54634%0.343SS..Hα-helixtrans-60.4-32.6170.745.90000115P372 T377P372-T374 PolarHBondContact O-N 3.16Å; T374-T377 PolarHBondContact O-OG1 2.84Å
375L42.5Very low51.9Low22 Ų2262.9 Ų62.912%0.11532%0.32CS..Hα-helixtrans-85.6-28.4174.1-65.8-174.2000111.6L366 I371 P372 D373 T377 I378L366-L375 HydrophobicContact CD2-CD1 3.56Å; I371-L375 HydrophobicContact CG2-CB 3.36Å; I371-L375 HydrophobicContact CG2-CD1 4.43Å; I371-L375 HydrophobicContact CG2-CG 4.48Å; P372-L375 WeakPolarHBondContact O-CA 3.3Å; P372-L375 PolarHBondContact O-N 3.4Å; D373-L375 VanDerWaalsContact C-N 3.33Å; D373-L375 PolarHBondContact O-N 2.93Å; L375-T377 PolarHBondContact O-N 2.84Å; L375-I378 HydrophobicContact CD2-CD1 3.33Å; L375-I378 HydrophobicContact CD2-CG1 4.26Å; L375-I378 WeakPolarHBondContact O-CB 3.36Å; L375-I378 PolarHBondContact O-N 3.25Å
376K49.1Very low53.4Low92 Ų9262.9 Ų62.940%0.432%0.319SS..Hα-helixtrans-61.5-26.7170.7-66-178.7-172.9145.80111.8I371 P372 D373 I378I371-K376 HydrophobicContact CB-CG 4.01Å; I371-K376 HydrophobicContact CG2-CG 3.8Å; I371-K376 WeakPolarHBondContact O-CE 3.39Å; P372-K376 PolarHBondContact O-N 3.5Å; D373-K376 WeakPolarHBondContact O-CB 3.28Å; D373-K376 PolarHBondContact O-N 2.71Å; D373-K376 IonicContact OD1-NZ 2.78Å; D373-K376 PolarHBondContact OD1-NZ 3.39Å; K376-I378 VanDerWaalsContact C-N 3.35Å
377T52.3Low54.8Low96 Ų9665.1 Ų65.159%0.58933%0.331SS*.THydrogen-bonded Turntrans-84.5-3172.856.50000114.2D373 T374 L375 E379D373-T377 PolarHBondContact O-N 2.96Å; T374-T377 PolarHBondContact O-OG1 2.84Å; L375-T377 PolarHBondContact O-N 2.84Å; T377-E379 WeakPolarHBondContact O-CB 3.33Å; T377-E379 WeakPolarHBondContact O-CG 3.27Å
378I58.4Low56.3Low8 Ų862.4 Ų62.44%0.04132%0.321CS..  trans-78.3127174.5-67-174.3000109F30 Y34 L375 K376F30-I378 HydrophobicContact CE1-CB 4.35Å; F30-I378 HydrophobicContact CE1-CG2 3.55Å; F30-I378 HydrophobicContact CZ-CG2 3.89Å; Y34-I378 HydrophobicContact CD1-CD1 4.36Å; Y34-I378 HydrophobicContact CD1-CG2 4.1Å; Y34-I378 HydrophobicContact CD2-CG2 3.46Å; Y34-I378 VanDerWaalsContact CD2-CG2 3.46Å; Y34-I378 HydrophobicContact CE1-CD1 3.99Å; Y34-I378 HydrophobicContact CE1-CG1 4.47Å; Y34-I378 HydrophobicContact CE1-CG2 4.26Å; Y34-I378 HydrophobicContact CE2-CG1 4.48Å; Y34-I378 HydrophobicContact CE2-CG2 3.64Å; Y34-I378 HydrophobicContact CG-CG2 3.68Å; L375-I378 HydrophobicContact CD2-CD1 3.33Å; L375-I378 HydrophobicContact CD2-CG1 4.26Å; L375-I378 WeakPolarHBondContact O-CB 3.36Å; L375-I378 PolarHBondContact O-N 3.25Å; K376-I378 VanDerWaalsContact C-N 3.35Å
379E68Low57.9Low68 Ų6857.2 Ų57.232%0.31830%0.298SS..  trans-146112-151.7-94.2-168.7168.500108T377 Y416 L417T377-E379 WeakPolarHBondContact O-CB 3.33Å; T377-E379 WeakPolarHBondContact O-CG 3.27Å; E379-Y416 HydrophobicContact CB-CD1 3.76Å; E379-Y416 HydrophobicContact CB-CD2 4.5Å; E379-Y416 HydrophobicContact CB-CG 3.63Å; E379-Y416 VanDerWaalsContact CD-CG 3.47Å; E379-Y416 HydrophobicContact CG-CD2 4.43Å; E379-Y416 HydrophobicContact CG-CG 3.86Å; E379-Y416 VanDerWaalsContact OE2-CB 3.3Å; E379-Y416 WeakPolarHBondContact OE2-CB 3.45Å; E379-Y416 WeakPolarHBondContact OE2-CD2 3.49Å; E379-L417 WeakPolarHBondContact CA-O 3.4Å
380L64.5Low59.3Low1 Ų153.3 Ų53.31%0.00528%0.284CS..BIsolated β-bridgetrans-84139.2177.5-68.8179.3000110.8F30 T33 D384 A388 L417 F422F30-L380 HydrophobicContact CD2-CD1 3.38Å; F30-L380 HydrophobicContact CD2-CG 3.95Å; F30-L380 HydrophobicContact CE2-CB 4.47Å; F30-L380 HydrophobicContact CE2-CD1 3.5Å; F30-L380 VanDerWaalsContact CE2-CD1 3.5Å; F30-L380 HydrophobicContact CE2-CG 3.56Å; F30-L380 HydrophobicContact CG-CD1 4.27Å; F30-L380 HydrophobicContact CZ-CD1 4.44Å; F30-L380 HydrophobicContact CZ-CG 4.11Å; T33-L380 HydrophobicContact CG2-CD2 4.13Å; L380-D384 HydrophobicContact CD2-CB 4.13Å; L380-A388 HydrophobicContact CD1-CB 4.48Å; L380-L417 HydrophobicContact CB-CB 4.44Å; L380-L417 PolarHBondContact N-O 3.42Å; L380-L417 VanDerWaalsContact N-O 3.12Å; L380-L417 PolarHBondContact O-N 3.41Å; L380-F422 HydrophobicContact CD1-CD2 4.2Å; L380-F422 HydrophobicContact CD1-CE2 4.32Å
381E65.7Low60.7Low92 Ų9247 Ų4743%0.4325%0.253SS..  trans-75.2160.2166.3-84.4167.9-139.300110.4K37 T383 D384 F385K37-E381 WeakPolarHBondContact CE-OE1 2.93Å; K37-E381 VanDerWaalsContact NZ-CD 3.28Å; K37-E381 IonicContact NZ-OE1 3.9Å; K37-E381 PolarHBondContact NZ-OE1 2.87Å; E381-T383 VanDerWaalsContact C-N 3.29Å; E381-T383 PolarHBondContact O-N 3.39Å; E381-D384 PolarHBondContact O-N 3.11Å; E381-D384 VanDerWaalsContact O-N 3.08Å; E381-F385 WeakPolarHBondContact O-CB 2.98Å; E381-F385 PolarHBondContact O-N 3.4Å
382V64.9Low61.9Low39 Ų3947.7 Ų47.724%0.23626%0.257CS..Hα-helixtrans-55-43.9-177176.60000112.2D384 F385 E386 T406 L409V382-D384 VanDerWaalsContact C-N 3.34Å; V382-D384 PolarHBondContact O-N 3.23Å; V382-F385 WeakPolarHBondContact O-CB 3.4Å; V382-F385 PolarHBondContact O-N 3.02Å; V382-E386 WeakPolarHBondContact O-CG 3.49Å; V382-E386 PolarHBondContact O-N 2.95Å; V382-T406 HydrophobicContact CG1-CG2 3.63Å; V382-L409 HydrophobicContact CB-CD1 4.24Å; V382-L409 HydrophobicContact CG1-CD1 3.71Å; V382-L409 HydrophobicContact CG2-CD1 3.94Å
383T66.8Low63Low79 Ų7946.3 Ų46.349%0.48525%0.247SC..Hα-helixtrans-66.1-35.6179.649.20000113E381 E386 N387E381-T383 VanDerWaalsContact C-N 3.29Å; E381-T383 PolarHBondContact O-N 3.39Å; T383-E386 WeakPolarHBondContact O-CB 3.27Å; T383-E386 PolarHBondContact O-N 3.13Å; T383-N387 PolarHBondContact O-N 3.22Å; T383-N387 PolarHBondContact O-ND2 2.77Å; T383-N387 VanDerWaalsContact O-ND2 3.13Å
384D70.7Confident63.7Low20 Ų2049.1 Ų49.111%0.10725%0.254CS..Hα-helixtrans-73.3-41.9178.4-64-38.3000110.3T33 K37 L380 E381 V382 E386 N387 A388T33-D384 HydrophobicContact CG2-CB 3.78Å; T33-D384 WeakPolarHBondContact CG2-O 3.35Å; K37-D384 WeakPolarHBondContact CD-OD2 3.46Å; K37-D384 WeakPolarHBondContact CE-OD2 3.48Å; K37-D384 VanDerWaalsContact CG-OD2 3.26Å; K37-D384 WeakPolarHBondContact CG-OD2 3.22Å; L380-D384 HydrophobicContact CD2-CB 4.13Å; E381-D384 PolarHBondContact O-N 3.11Å; E381-D384 VanDerWaalsContact O-N 3.08Å; V382-D384 VanDerWaalsContact C-N 3.34Å; V382-D384 PolarHBondContact O-N 3.23Å; D384-E386 VanDerWaalsContact C-N 3.29Å; D384-E386 PolarHBondContact O-N 2.93Å; D384-N387 WeakPolarHBondContact O-CB 3.34Å; D384-N387 PolarHBondContact O-N 3.35Å; D384-N387 VanDerWaalsContact O-N 3.11Å; D384-A388 WeakPolarHBondContact O-CB 3.49Å; D384-A388 PolarHBondContact O-N 3.4Å
385F72.9Confident64.5Low2 Ų252.4 Ų52.41%0.00926%0.256CS..Hα-helixtrans-56.8-43.3171.6174.9-97000112E381 V382 N387 A388 M389 I405 L409 L417 F422 L425E381-F385 WeakPolarHBondContact O-CB 2.98Å; E381-F385 PolarHBondContact O-N 3.4Å; V382-F385 WeakPolarHBondContact O-CB 3.4Å; V382-F385 PolarHBondContact O-N 3.02Å; F385-N387 VanDerWaalsContact C-N 3.3Å; F385-N387 PolarHBondContact O-N 3.34Å; F385-A388 PolarHBondContact O-N 2.77Å; F385-M389 HydrophobicContact CD1-CG 4.1Å; F385-M389 HydrophobicContact CD2-CE 4.45Å; F385-M389 HydrophobicContact CD2-CG 4.25Å; F385-M389 HydrophobicContact CE1-CG 3.56Å; F385-M389 HydrophobicContact CE2-CE 3.68Å; F385-M389 HydrophobicContact CE2-CG 3.74Å; F385-M389 HydrophobicContact CE2-SD 4.11Å; F385-M389 HydrophobicContact CG-CG 4.41Å; F385-M389 HydrophobicContact CZ-CE 4.01Å; F385-M389 HydrophobicContact CZ-CG 3.36Å; F385-M389 HydrophobicContact CZ-SD 3.81Å; F385-M389 WeakPolarHBondContact O-CB 3.33Å; F385-M389 WeakPolarHBondContact O-CG 3.5Å; F385-M389 PolarHBondContact O-N 2.93Å; F385-I405 HydrophobicContact CD1-CG2 3.59Å; F385-I405 HydrophobicContact CE1-CD1 4.38Å; F385-I405 HydrophobicContact CE1-CG2 3.54Å; F385-L409 HydrophobicContact CD1-CD1 3.92Å; F385-L409 HydrophobicContact CD1-CD2 4.16Å; F385-L409 HydrophobicContact CE1-CD1 4.29Å; F385-L409 HydrophobicContact CE1-CD2 3.67Å; F385-L409 HydrophobicContact CE1-CG 4.45Å; F385-L409 HydrophobicContact CZ-CD2 4.28Å; F385-L417 HydrophobicContact CB-CD1 3.8Å; F385-L417 HydrophobicContact CD1-CD1 4.32Å; F385-L417 HydrophobicContact CD2-CD1 3.78Å; F385-L417 HydrophobicContact CD2-CD2 3.82Å; F385-L417 HydrophobicContact CD2-CG 4.28Å; F385-L417 HydrophobicContact CE2-CD1 4.47Å; F385-L417 HydrophobicContact CE2-CD2 3.76Å; F385-L417 HydrophobicContact CG-CD1 3.69Å; F385-L417 HydrophobicContact CG-CD2 4.45Å; F385-L417 HydrophobicContact CZ-CD2 4.36Å; F385-F422 AromaticContact CD2-CD2 3.68Å; F385-F422 HydrophobicContact CD2-CD2 3.68Å; F385-F422 HydrophobicContact CD2-CE2 4.04Å; F385-F422 AromaticContact CE2-CD2 3.72Å; F385-F422 HydrophobicContact CE2-CD2 3.72Å; F385-F422 HydrophobicContact CE2-CE2 4.16Å; F385-L425 HydrophobicContact CE2-CB 4.44Å; F385-L425 HydrophobicContact CE2-CD1 3.88Å; F385-L425 HydrophobicContact CZ-CB 4.25Å; F385-L425 HydrophobicContact CZ-CD1 3.69Å
386E69.8Low65.1Low32 Ų3251.4 Ų51.415%0.1525%0.251CS..Hα-helixtrans-57.4-43.1174.6-76.9-173.7175.900112.4V382 T383 D384 K390 I398 I405V382-E386 WeakPolarHBondContact O-CG 3.49Å; V382-E386 PolarHBondContact O-N 2.95Å; T383-E386 WeakPolarHBondContact O-CB 3.27Å; T383-E386 PolarHBondContact O-N 3.13Å; D384-E386 VanDerWaalsContact C-N 3.29Å; D384-E386 PolarHBondContact O-N 2.93Å; E386-K390 WeakPolarHBondContact O-CB 3.31Å; E386-K390 WeakPolarHBondContact O-CG 3.31Å; E386-K390 PolarHBondContact O-N 2.75Å; E386-I398 HydrophobicContact CB-CD1 3.67Å; E386-I398 HydrophobicContact CG-CD1 3.8Å; E386-I405 HydrophobicContact CG-CB 3.63Å; E386-I405 HydrophobicContact CG-CD1 4Å; E386-I405 HydrophobicContact CG-CG1 4.18Å; E386-I405 HydrophobicContact CG-CG2 3.76Å
387N71.9Confident65.2Low93 Ų9354.4 Ų54.450%0.49726%0.264SS..Hα-helixtrans-68.4-40.2177.8-68.2-34.5000112.2T383 D384 F385 K390 A391T383-N387 PolarHBondContact O-N 3.22Å; T383-N387 PolarHBondContact O-ND2 2.77Å; T383-N387 VanDerWaalsContact O-ND2 3.13Å; D384-N387 WeakPolarHBondContact O-CB 3.34Å; D384-N387 PolarHBondContact O-N 3.35Å; D384-N387 VanDerWaalsContact O-N 3.11Å; F385-N387 VanDerWaalsContact C-N 3.3Å; F385-N387 PolarHBondContact O-N 3.34Å; N387-K390 PolarHBondContact O-N 2.78Å; N387-A391 PolarHBondContact O-N 2.86Å
388A73Confident65Low0 Ų050.6 Ų50.60%024%0.24CC..Hα-helixtrans-64.9-44.9176.800000111.5I29 T33 L380 D384 F385 K390 A391 I392 F422I29-A388 HydrophobicContact CG2-CB 4.01Å; I29-A388 WeakPolarHBondContact CG2-O 3.47Å; T33-A388 HydrophobicContact CG2-CB 3.93Å; T33-A388 WeakPolarHBondContact OG1-CB 3.36Å; L380-A388 HydrophobicContact CD1-CB 4.48Å; D384-A388 WeakPolarHBondContact O-CB 3.49Å; D384-A388 PolarHBondContact O-N 3.4Å; F385-A388 PolarHBondContact O-N 2.77Å; A388-K390 PolarHBondContact O-N 3.2Å; A388-A391 VanDerWaalsContact O-CB 3.25Å; A388-A391 WeakPolarHBondContact O-CB 3.47Å; A388-A391 PolarHBondContact O-N 2.87Å; A388-I392 PolarHBondContact O-N 3.26Å; A388-F422 HydrophobicContact CB-CE2 3.49Å; A388-F422 VanDerWaalsContact CB-CE2 3.49Å; A388-F422 HydrophobicContact CB-CZ 3.72Å
389M74.4Confident64.3Low0 Ų056.5 Ų56.50%027%0.271CS..Hα-helixtrans-62.2-42.5175.3-75.9-66.1116.700111.9F385 A391 I392 D393 L396 I405 F422 A426F385-M389 HydrophobicContact CD1-CG 4.1Å; F385-M389 HydrophobicContact CD2-CE 4.45Å; F385-M389 HydrophobicContact CD2-CG 4.25Å; F385-M389 HydrophobicContact CE1-CG 3.56Å; F385-M389 HydrophobicContact CE2-CE 3.68Å; F385-M389 HydrophobicContact CE2-CG 3.74Å; F385-M389 HydrophobicContact CE2-SD 4.11Å; F385-M389 HydrophobicContact CG-CG 4.41Å; F385-M389 HydrophobicContact CZ-CE 4.01Å; F385-M389 HydrophobicContact CZ-CG 3.36Å; F385-M389 HydrophobicContact CZ-SD 3.81Å; F385-M389 WeakPolarHBondContact O-CB 3.33Å; F385-M389 WeakPolarHBondContact O-CG 3.5Å; F385-M389 PolarHBondContact O-N 2.93Å; M389-A391 PolarHBondContact O-N 3.27Å; M389-I392 HydrophobicContact CE-CD1 3.71Å; M389-I392 PolarHBondContact O-N 2.96Å; M389-I392 VanDerWaalsContact O-N 3.11Å; M389-D393 PolarHBondContact O-N 3.18Å; M389-L396 HydrophobicContact CB-CD1 4.07Å; M389-L396 WeakPolarHBondContact O-CD1 3.5Å; M389-I405 HydrophobicContact CB-CD1 4.13Å; M389-I405 HydrophobicContact CG-CD1 4.44Å; M389-F422 HydrophobicContact CE-CD1 4.49Å; M389-F422 HydrophobicContact CE-CD2 3.56Å; M389-F422 HydrophobicContact CE-CE1 4.14Å; M389-F422 HydrophobicContact CE-CE2 3.12Å; M389-F422 HydrophobicContact CE-CG 4.23Å; M389-F422 HydrophobicContact CE-CZ 3.47Å; M389-F422 VanDerWaalsContact CE-CZ 3.47Å; M389-A426 HydrophobicContact CE-CB 3.92Å
390K71.1Confident63.4Low65 Ų6556.4 Ų56.428%0.28328%0.278SS..Hα-helixtrans-57.8-27.9173.1-82.3169.9164.9167.50113.2E386 N387 A388 D393 I398E386-K390 WeakPolarHBondContact O-CB 3.31Å; E386-K390 WeakPolarHBondContact O-CG 3.31Å; E386-K390 PolarHBondContact O-N 2.75Å; N387-K390 PolarHBondContact O-N 2.78Å; A388-K390 PolarHBondContact O-N 3.2Å; K390-D393 CarbonylContact O-C 3.24Å; K390-I398 HydrophobicContact CD-CD1 3.94Å; K390-I398 HydrophobicContact CD-CG1 4.4Å; K390-I398 VanDerWaalsContact CE-CD1 3.49Å; K390-I398 HydrophobicContact CG-CD1 3.95Å; K390-I398 HydrophobicContact CG-CG1 4.25Å
391A68.5Low62.8Low15 Ų1560.4 Ų60.412%0.12432%0.32CS..Hα-helixtrans-73-39.2176.900000112.5I29 Y218 N387 A388 M389I29-A391 HydrophobicContact CD1-CB 4.43Å; I29-A391 HydrophobicContact CG2-CB 3.96Å; Y218-A391 HydrophobicContact CE1-CB 3.72Å; Y218-A391 HydrophobicContact CE2-CB 4.29Å; Y218-A391 VanDerWaalsContact CZ-CB 3.46Å; Y218-A391 WeakPolarHBondContact OH-CA 3.36Å; Y218-A391 WeakPolarHBondContact OH-CB 3.33Å; N387-A391 PolarHBondContact O-N 2.86Å; A388-A391 VanDerWaalsContact O-CB 3.25Å; A388-A391 WeakPolarHBondContact O-CB 3.47Å; A388-A391 PolarHBondContact O-N 2.87Å; M389-A391 PolarHBondContact O-N 3.27Å
392I68.3Low62.2Low31 Ų3162.2 Ų62.216%0.15933%0.332CS..Hα-helixtrans-68.9-49.3179.5-62.3177000110Y26 I29 A388 M389 F422 A426Y26-I392 HydrophobicContact CD1-CD1 3.84Å; Y26-I392 HydrophobicContact CD1-CG1 4.34Å; Y26-I392 HydrophobicContact CD1-CG2 4.41Å; Y26-I392 HydrophobicContact CE1-CD1 4.32Å; Y26-I392 HydrophobicContact CE1-CG2 3.9Å; I29-I392 HydrophobicContact CD1-CD1 4.43Å; I29-I392 HydrophobicContact CD1-CG1 3.49Å; I29-I392 VanDerWaalsContact CD1-CG1 3.49Å; I29-I392 HydrophobicContact CG2-CD1 4.48Å; I29-I392 HydrophobicContact CG2-CG1 4.15Å; A388-I392 PolarHBondContact O-N 3.26Å; M389-I392 HydrophobicContact CE-CD1 3.71Å; M389-I392 PolarHBondContact O-N 2.96Å; M389-I392 VanDerWaalsContact O-N 3.11Å; I392-F422 HydrophobicContact CD1-CE1 3.9Å; I392-F422 HydrophobicContact CD1-CZ 3.69Å; I392-A426 HydrophobicContact CD1-CB 3.36Å
393D64.6Low61.8Low13 Ų1363.3 Ų63.37%0.0733%0.334CS..  trans-132.6105.7178.4-175.37.7000111.6M389 K390 R395 L396 I446M389-D393 PolarHBondContact O-N 3.18Å; K390-D393 CarbonylContact O-C 3.24Å; D393-R395 PolarHBondContact O-N 3.31Å; D393-R395 VanDerWaalsContact OD1-CB 3.22Å; D393-R395 WeakPolarHBondContact OD1-CB 3.24Å; D393-R395 PolarHBondContact OD1-N 2.85Å; D393-R395 IonicContact OD1-NE 3.95Å; D393-R395 PolarHBondContact OD1-NE 3.4Å; D393-L396 HydrophobicContact CB-CD1 3.76Å; D393-L396 HydrophobicContact CB-CG 3.91Å; D393-L396 WeakPolarHBondContact O-CB 3.35Å; D393-L396 PolarHBondContact O-N 2.83Å; D393-I446 WeakPolarHBondContact OD2-CG2 3.47Å
394K61.2Low61.4Low175 Ų17565.8 Ų65.876%0.76134%0.338SS*.THydrogen-bonded Turntrans-59.8-19.3176.2-63.1178-176171.10112.8L396K394-L396 VanDerWaalsContact C-N 3.34Å
395R55.1Low60.8Low157 Ų15764.9 Ų64.959%0.59233%0.333SS*.THydrogen-bonded Turntrans-81.3-12.6176-62.7174.9-79.6-160.5-3.6112.6D393 K397 I446D393-R395 PolarHBondContact O-N 3.31Å; D393-R395 VanDerWaalsContact OD1-CB 3.22Å; D393-R395 WeakPolarHBondContact OD1-CB 3.24Å; D393-R395 PolarHBondContact OD1-N 2.85Å; D393-R395 IonicContact OD1-NE 3.95Å; D393-R395 PolarHBondContact OD1-NE 3.4Å; R395-K397 PolarHBondContact O-N 2.78Å; R395-I446 HydrophobicContact CB-CB 4.21Å; R395-I446 HydrophobicContact CB-CG2 3.61Å; R395-I446 HydrophobicContact CG-CG2 4.4Å
396L56.3Low60.2Low2 Ų267 Ų671%0.0135%0.347CS..  trans-66.660.7158.5-62.5163.2000109.1M389 D393 K394 I398 A429 G447M389-L396 HydrophobicContact CB-CD1 4.07Å; M389-L396 WeakPolarHBondContact O-CD1 3.5Å; D393-L396 HydrophobicContact CB-CD1 3.76Å; D393-L396 HydrophobicContact CB-CG 3.91Å; D393-L396 WeakPolarHBondContact O-CB 3.35Å; D393-L396 PolarHBondContact O-N 2.83Å; K394-L396 VanDerWaalsContact C-N 3.34Å; L396-I398 VanDerWaalsContact C-N 3.32Å; L396-I398 PolarHBondContact O-N 3.42Å; L396-A429 HydrophobicContact CD1-CB 4.03Å; L396-G447 VanDerWaalsContact CD2-C 3.5Å
397K49.8Very low59.8Low155 Ų15568.2 Ų68.267%0.67435%0.354SS*.  trans-68.899.2164.5-73.2-170.9177.1-175.80106.2R395 D399R395-K397 PolarHBondContact O-N 2.78Å; K397-D399 PolarHBondContact O-N 3.45Å; K397-D399 VanDerWaalsContact O-N 3.09Å
398I49.9Very low59.3Low16 Ų1664 Ų648%0.08233%0.331CS..THydrogen-bonded Turntrans-64.2-4.3170.8-51.8179.3000110.7E386 K390 L396 S400 I405 T448E386-I398 HydrophobicContact CB-CD1 3.67Å; E386-I398 HydrophobicContact CG-CD1 3.8Å; K390-I398 HydrophobicContact CD-CD1 3.94Å; K390-I398 HydrophobicContact CD-CG1 4.4Å; K390-I398 VanDerWaalsContact CE-CD1 3.49Å; K390-I398 HydrophobicContact CG-CD1 3.95Å; K390-I398 HydrophobicContact CG-CG1 4.25Å; L396-I398 VanDerWaalsContact C-N 3.32Å; L396-I398 PolarHBondContact O-N 3.42Å; I398-S400 PolarHBondContact O-N 3.18Å; I398-I405 HydrophobicContact CD1-CD1 3.41Å; I398-I405 VanDerWaalsContact CD1-CD1 3.41Å; I398-I405 HydrophobicContact CD1-CG1 3.84Å; I398-I405 HydrophobicContact CG1-CD1 4.02Å; I398-I405 HydrophobicContact CG1-CG1 4.18Å; I398-T448 HydrophobicContact CB-CG2 4.25Å; I398-T448 HydrophobicContact CG1-CG2 3.72Å
399D43.4Very low58.6Low131 Ų13164.1 Ų64.170%0.70133%0.332SS*.THydrogen-bonded Turntrans-919.7-166.9-56.2-22.8000115.6K397 G401K397-D399 PolarHBondContact O-N 3.45Å; K397-D399 VanDerWaalsContact O-N 3.09Å; D399-G401 PolarHBondContact O-N 3.02Å
400S48.5Very low57.6Low67 Ų6770.8 Ų70.847%0.46936%0.363SS..SBendtrans-85.2110161.562.80000106.9I398 N402 F403I398-S400 PolarHBondContact O-N 3.18Å; S400-N402 PolarHBondContact O-N 2.87Å; S400-F403 PolarHBondContact O-N 3.37Å
401G52.1Low56.6Low85 Ų8568.4 Ų68.488%0.87635%0.353SS*.THydrogen-bonded Turntrans-57.317.2-171.700000118D399D399-G401 PolarHBondContact O-N 3.02Å
402N53.8Low55.5Low129 Ų12967.7 Ų67.769%0.6935%0.347SS*.THydrogen-bonded Turntrans-99.5-25-179.8-64.6-7.5000113.6S400S400-N402 PolarHBondContact O-N 2.87Å
403F55.9Low54.2Low62 Ų6271 Ų7127%0.27237%0.369SS..  trans-145.7111.4-176.4-69.4-82.5000111.9S400 Y452S400-F403 PolarHBondContact O-N 3.37Å; F403-Y452 HydrophobicContact CE1-CD1 4.38Å; F403-Y452 HydrophobicContact CE1-CE1 4.27Å
404K59Low53.3Low132 Ų13274 Ų7457%0.57440%0.403SS*.  trans-84.2151.6170.4-70.3179.7-178.8178.50108.9T406 D407K404-T406 WeakPolarHBondContact CB-OG1 3.35Å; K404-T406 PolarHBondContact O-N 3.03Å; K404-D407 PolarHBondContact N-OD2 2.86Å; K404-D407 WeakPolarHBondContact O-CB 3.24Å; K404-D407 PolarHBondContact O-N 3.36Å
405I58.2Low52.7Low0 Ų070.4 Ų70.40%039%0.385CS..Hα-helixtrans-57.3-33.8170.4-78.9-168.7000109.1F385 E386 M389 I398 D407 I408 L409 T448F385-I405 HydrophobicContact CD1-CG2 3.59Å; F385-I405 HydrophobicContact CE1-CD1 4.38Å; F385-I405 HydrophobicContact CE1-CG2 3.54Å; E386-I405 HydrophobicContact CG-CB 3.63Å; E386-I405 HydrophobicContact CG-CD1 4Å; E386-I405 HydrophobicContact CG-CG1 4.18Å; E386-I405 HydrophobicContact CG-CG2 3.76Å; M389-I405 HydrophobicContact CB-CD1 4.13Å; M389-I405 HydrophobicContact CG-CD1 4.44Å; I398-I405 HydrophobicContact CD1-CD1 3.41Å; I398-I405 VanDerWaalsContact CD1-CD1 3.41Å; I398-I405 HydrophobicContact CD1-CG1 3.84Å; I398-I405 HydrophobicContact CG1-CD1 4.02Å; I398-I405 HydrophobicContact CG1-CG1 4.18Å; I405-D407 PolarHBondContact O-N 3.36Å; I405-I408 HydrophobicContact CG1-CD1 4.21Å; I405-I408 CarbonylContact O-C 3.56Å; I405-I408 WeakPolarHBondContact O-CA 3.37Å; I405-I408 WeakPolarHBondContact O-CB 3.48Å; I405-I408 PolarHBondContact O-N 3.48Å; I405-L409 HydrophobicContact CG2-CD1 3.71Å; I405-L409 HydrophobicContact CG2-CD2 3.83Å; I405-L409 HydrophobicContact CG2-CG 3.52Å; I405-L409 VanDerWaalsContact O-CB 3.3Å; I405-L409 WeakPolarHBondContact O-CB 3.46Å; I405-L409 WeakPolarHBondContact O-CG 3.31Å; I405-L409 PolarHBondContact O-N 2.95Å; I405-T448 HydrophobicContact CD1-CG2 4.36Å; I405-T448 HydrophobicContact CG1-CG2 3.85Å
406T59.7Low52.8Low48 Ų4868.5 Ų68.529%0.29438%0.378SS..Hα-helixtrans-44.6-33169.4570000114.9V382 K404 L409 E410V382-T406 HydrophobicContact CG1-CG2 3.63Å; K404-T406 WeakPolarHBondContact CB-OG1 3.35Å; K404-T406 PolarHBondContact O-N 3.03Å; T406-L409 CarbonylContact O-C 3.43Å; T406-L409 WeakPolarHBondContact O-CA 3.4Å; T406-L409 PolarHBondContact O-N 2.94Å; T406-E410 PolarHBondContact O-N 3.26Å
407D61.6Low53.2Low57 Ų5768.4 Ų68.431%0.30538%0.378SS..Hα-helixtrans-81.7-34.6-177.1-47.6-28.8000111.1K404 I405 E410K404-D407 PolarHBondContact N-OD2 2.86Å; K404-D407 WeakPolarHBondContact O-CB 3.24Å; K404-D407 PolarHBondContact O-N 3.36Å; I405-D407 PolarHBondContact O-N 3.36Å; D407-E410 PolarHBondContact O-N 3.34Å
408I60.5Low54.2Low3 Ų363.2 Ų63.22%0.01536%0.358CS..Hα-helixtrans-61.5-42.2164.6-48.6-175.8000109.4I405 E410 T448 L451 Y452 I455I405-I408 HydrophobicContact CG1-CD1 4.21Å; I405-I408 CarbonylContact O-C 3.56Å; I405-I408 WeakPolarHBondContact O-CA 3.37Å; I405-I408 WeakPolarHBondContact O-CB 3.48Å; I405-I408 PolarHBondContact O-N 3.48Å; I408-E410 VanDerWaalsContact C-N 3.26Å; I408-E410 PolarHBondContact O-N 2.96Å; I408-T448 VanDerWaalsContact CD1-O 3.26Å; I408-T448 WeakPolarHBondContact CD1-O 3.4Å; I408-L451 HydrophobicContact CD1-CB 4.13Å; I408-L451 HydrophobicContact CD1-CD2 4.06Å; I408-L451 HydrophobicContact CD1-CG 4.09Å; I408-L451 HydrophobicContact CG2-CG 4.29Å; I408-Y452 HydrophobicContact CB-CD2 4.47Å; I408-Y452 HydrophobicContact CG1-CD2 4.03Å; I408-Y452 HydrophobicContact CG1-CG 4.4Å; I408-I455 HydrophobicContact CG2-CB 4.4Å; I408-I455 HydrophobicContact CG2-CD1 3.26Å; I408-I455 HydrophobicContact CG2-CG1 4.37Å
409L57.9Low55.3Low3 Ų363 Ų632%0.01636%0.356CS..G310 helixtrans-8320.7179.7-59.6-158.7000112.7V382 F385 I405 T406 I411 F412 L417V382-L409 HydrophobicContact CB-CD1 4.24Å; V382-L409 HydrophobicContact CG1-CD1 3.71Å; V382-L409 HydrophobicContact CG2-CD1 3.94Å; F385-L409 HydrophobicContact CD1-CD1 3.92Å; F385-L409 HydrophobicContact CD1-CD2 4.16Å; F385-L409 HydrophobicContact CE1-CD1 4.29Å; F385-L409 HydrophobicContact CE1-CD2 3.67Å; F385-L409 HydrophobicContact CE1-CG 4.45Å; F385-L409 HydrophobicContact CZ-CD2 4.28Å; I405-L409 HydrophobicContact CG2-CD1 3.71Å; I405-L409 HydrophobicContact CG2-CD2 3.83Å; I405-L409 HydrophobicContact CG2-CG 3.52Å; I405-L409 VanDerWaalsContact O-CB 3.3Å; I405-L409 WeakPolarHBondContact O-CB 3.46Å; I405-L409 WeakPolarHBondContact O-CG 3.31Å; I405-L409 PolarHBondContact O-N 2.95Å; T406-L409 CarbonylContact O-C 3.43Å; T406-L409 WeakPolarHBondContact O-CA 3.4Å; T406-L409 PolarHBondContact O-N 2.94Å; L409-I411 CarbonylContact O-C 3.55Å; L409-I411 PolarHBondContact O-N 3Å; L409-F412 HydrophobicContact CB-CB 4.19Å; L409-F412 HydrophobicContact CB-CD2 3.42Å; L409-F412 VanDerWaalsContact CB-CD2 3.42Å; L409-F412 HydrophobicContact CB-CE2 4.24Å; L409-F412 HydrophobicContact CB-CG 4.28Å; L409-F412 HydrophobicContact CD1-CB 4.48Å; L409-F412 HydrophobicContact CD1-CD2 3.87Å; L409-F412 HydrophobicContact CD2-CD2 3.16Å; L409-F412 HydrophobicContact CD2-CE2 3.22Å; L409-F412 HydrophobicContact CD2-CG 4.44Å; L409-F412 HydrophobicContact CG-CD2 3.53Å; L409-F412 HydrophobicContact CG-CE2 4.11Å; L409-F412 PolarHBondContact O-N 3.45Å; L409-L417 HydrophobicContact CD1-CD1 4.28Å
410E55.1Low56.8Low140 Ų14058.3 Ų58.365%0.65433%0.334SS*.G310 helixtrans-55.3-11.9162.4-85-171164.600111.3T406 D407 I408T406-E410 PolarHBondContact O-N 3.26Å; D407-E410 PolarHBondContact O-N 3.34Å; I408-E410 VanDerWaalsContact C-N 3.26Å; I408-E410 PolarHBondContact O-N 2.96Å
411I48.7Very low58.3Low16 Ų1655.2 Ų55.28%0.08231%0.312CS..G310 helixtrans-62.3-35.7162.9-49.5159.6000113.7L409 I455 F520L409-I411 CarbonylContact O-C 3.55Å; L409-I411 PolarHBondContact O-N 3Å; I411-I455 HydrophobicContact CD1-CG2 3.7Å; I411-F520 HydrophobicContact CG2-CD1 3.68Å; I411-F520 HydrophobicContact CG2-CE1 4.13Å
412F46Very low59.6Low0 Ų051.1 Ų51.10%027%0.27CS..THydrogen-bonded Turntrans-120.25.8-158.4-47.8-62.3000115.8L409 G414 W415 L417 L421 L425 F520L409-F412 HydrophobicContact CB-CB 4.19Å; L409-F412 HydrophobicContact CB-CD2 3.42Å; L409-F412 VanDerWaalsContact CB-CD2 3.42Å; L409-F412 HydrophobicContact CB-CE2 4.24Å; L409-F412 HydrophobicContact CB-CG 4.28Å; L409-F412 HydrophobicContact CD1-CB 4.48Å; L409-F412 HydrophobicContact CD1-CD2 3.87Å; L409-F412 HydrophobicContact CD2-CD2 3.16Å; L409-F412 HydrophobicContact CD2-CE2 3.22Å; L409-F412 HydrophobicContact CD2-CG 4.44Å; L409-F412 HydrophobicContact CG-CD2 3.53Å; L409-F412 HydrophobicContact CG-CE2 4.11Å; L409-F412 PolarHBondContact O-N 3.45Å; F412-G414 PolarHBondContact O-N 3.45Å; F412-W415 PolarHBondContact O-N 3.31Å; F412-L417 HydrophobicContact CD2-CD2 4.37Å; F412-L417 HydrophobicContact CE1-CD2 4.38Å; F412-L417 HydrophobicContact CE2-CD2 4.17Å; F412-L417 HydrophobicContact CG-CG 4.47Å; F412-L417 HydrophobicContact CZ-CD2 4.19Å; F412-L421 HydrophobicContact CD1-CD2 4.03Å; F412-L421 HydrophobicContact CE1-CD1 4.44Å; F412-L421 HydrophobicContact CE1-CD2 3.12Å; F412-L421 HydrophobicContact CE1-CG 4.28Å; F412-L421 HydrophobicContact CZ-CD1 4.13Å; F412-L421 HydrophobicContact CZ-CD2 3.44Å; F412-L421 VanDerWaalsContact CZ-CD2 3.44Å; F412-L421 HydrophobicContact CZ-CG 4.19Å; F412-L425 HydrophobicContact CE2-CD1 4.13Å; F412-L425 HydrophobicContact CZ-CD1 4.09Å; F412-F520 AromaticContact CD1-CE1 3.73Å; F412-F520 HydrophobicContact CD1-CE1 3.73Å; F412-F520 HydrophobicContact CD1-CZ 4.44Å; F412-F520 AromaticContact CE1-CD1 3.99Å; F412-F520 HydrophobicContact CE1-CD1 3.99Å; F412-F520 AromaticContact CE1-CE1 3.42Å; F412-F520 HydrophobicContact CE1-CE1 3.42Å; F412-F520 VanDerWaalsContact CE1-CE1 3.42Å; F412-F520 HydrophobicContact CE1-CZ 4.05Å
413T41.5Very low60.9Low100 Ų10045 Ų4561%0.61324%0.238SC*.THydrogen-bonded Turntrans-59.8113.5177.852.30000110
414G45.4Very low62.3Low76 Ų7642.1 Ų42.178%0.78423%0.225SC*.THydrogen-bonded Turntrans84.53.4-174.700000116.4F412F412-G414 PolarHBondContact O-N 3.45Å
415W48.2Very low63.4Low99 Ų9935.9 Ų35.938%0.37520%0.198SC..  trans-122.1146.7177.3-70.167.2000110.5F412 P519F412-W415 PolarHBondContact O-N 3.31Å; W415-P519 HydrophobicContact CD2-CB 4.3Å; W415-P519 HydrophobicContact CE3-CB 3.59Å; W415-P519 HydrophobicContact CE3-CG 4.36Å; W415-P519 HydrophobicContact CH2-CB 4.02Å; W415-P519 HydrophobicContact CZ3-CB 3.45Å; W415-P519 VanDerWaalsContact CZ3-CB 3.45Å; W415-P519 HydrophobicContact CZ3-CG 4.23Å
416Y56.5Low64.5Low117 Ų11735.9 Ų35.946%0.45920%0.198SC..PPolyproline II helixtrans-94.9148-176.4-58-94.3000111.5E379E379-Y416 HydrophobicContact CB-CD1 3.76Å; E379-Y416 HydrophobicContact CB-CD2 4.5Å; E379-Y416 HydrophobicContact CB-CG 3.63Å; E379-Y416 VanDerWaalsContact CD-CG 3.47Å; E379-Y416 HydrophobicContact CG-CD2 4.43Å; E379-Y416 HydrophobicContact CG-CG 3.86Å; E379-Y416 VanDerWaalsContact OE2-CB 3.3Å; E379-Y416 WeakPolarHBondContact OE2-CB 3.45Å; E379-Y416 WeakPolarHBondContact OE2-CD2 3.49Å
417L64.9Low65.6Low0 Ų033.7 Ų33.70%019%0.185CC..BIsolated β-bridgetrans-86.7116.4179.7-74.6121.4000110.9E379 L380 F385 L409 F412 L421 L425E379-L417 WeakPolarHBondContact CA-O 3.4Å; L380-L417 HydrophobicContact CB-CB 4.44Å; L380-L417 PolarHBondContact N-O 3.42Å; L380-L417 VanDerWaalsContact N-O 3.12Å; L380-L417 PolarHBondContact O-N 3.41Å; F385-L417 HydrophobicContact CB-CD1 3.8Å; F385-L417 HydrophobicContact CD1-CD1 4.32Å; F385-L417 HydrophobicContact CD2-CD1 3.78Å; F385-L417 HydrophobicContact CD2-CD2 3.82Å; F385-L417 HydrophobicContact CD2-CG 4.28Å; F385-L417 HydrophobicContact CE2-CD1 4.47Å; F385-L417 HydrophobicContact CE2-CD2 3.76Å; F385-L417 HydrophobicContact CG-CD1 3.69Å; F385-L417 HydrophobicContact CG-CD2 4.45Å; F385-L417 HydrophobicContact CZ-CD2 4.36Å; L409-L417 HydrophobicContact CD1-CD1 4.28Å; F412-L417 HydrophobicContact CD2-CD2 4.37Å; F412-L417 HydrophobicContact CE1-CD2 4.38Å; F412-L417 HydrophobicContact CE2-CD2 4.17Å; F412-L417 HydrophobicContact CG-CG 4.47Å; F412-L417 HydrophobicContact CZ-CD2 4.19Å; L417-L421 HydrophobicContact CD2-CD2 3.61Å; L417-L421 HydrophobicContact CD2-CG 4.01Å; L417-L421 HydrophobicContact CG-CD2 4.29Å; L417-L425 HydrophobicContact CD2-CD1 3.64Å
418N71Confident66.6Low47 Ų4731 Ų3125%0.25117%0.171SC..PPolyproline II helixtrans-75.4167167.374.615.4000111.2S420 L421 F422N418-S420 PolarHBondContact O-N 3.43Å; N418-S420 PolarHBondContact OD1-N 3.38Å; N418-L421 VanDerWaalsContact OD1-CB 3.3Å; N418-L421 WeakPolarHBondContact OD1-CB 3.25Å; N418-L421 PolarHBondContact OD1-N 2.92Å; N418-F422 PolarHBondContact O-N 3.31Å; N418-F422 VanDerWaalsContact O-N 3.1Å
419I72.7Confident67.4Low10 Ų1031.2 Ų31.25%0.05117%0.172CC..Hα-helixtrans-64.7-36.2-176.8-164.7168.2000113.3E27 F30 I371 F422 I423E27-I419 HydrophobicContact CB-CD1 4.39Å; E27-I419 HydrophobicContact CG-CD1 3.99Å; F30-I419 HydrophobicContact CB-CG1 4.46Å; F30-I419 HydrophobicContact CD1-CB 4.09Å; F30-I419 HydrophobicContact CD1-CD1 3.84Å; F30-I419 HydrophobicContact CD1-CG1 3.83Å; F30-I419 HydrophobicContact CD2-CG1 4.46Å; F30-I419 HydrophobicContact CE1-CB 3.86Å; F30-I419 HydrophobicContact CE1-CD1 4.28Å; F30-I419 HydrophobicContact CE1-CG1 4.14Å; F30-I419 HydrophobicContact CE2-CB 4.37Å; F30-I419 HydrophobicContact CG-CB 4.45Å; F30-I419 HydrophobicContact CG-CD1 4.38Å; F30-I419 HydrophobicContact CG-CG1 4.01Å; F30-I419 HydrophobicContact CZ-CB 4.01Å; I371-I419 HydrophobicContact CD1-CG2 3.64Å; I419-F422 WeakPolarHBondContact O-CB 3.31Å; I419-F422 PolarHBondContact O-N 3.2Å; I419-I423 HydrophobicContact CG1-CD1 4.04Å; I419-I423 HydrophobicContact CG1-CG1 4.47Å; I419-I423 WeakPolarHBondContact O-CG1 3.28Å; I419-I423 PolarHBondContact O-N 3.4Å
420S76.6Confident68.2Low33 Ų3333.5 Ų33.523%0.23118%0.183CC..Hα-helixtrans-63.1-48.3-178.2-55.10000111.5N418 F422 I423 V424N418-S420 PolarHBondContact O-N 3.43Å; N418-S420 PolarHBondContact OD1-N 3.38Å; S420-F422 VanDerWaalsContact C-N 3.34Å; S420-I423 PolarHBondContact O-N 2.89Å; S420-V424 WeakPolarHBondContact O-CG2 3.47Å; S420-V424 PolarHBondContact O-N 3.28Å
421L78.4Confident68.7Low2 Ų231.9 Ų31.91%0.0117%0.171CC..Hα-helixtrans-65.7-39.3175.8173.665.8000111.4F412 L417 N418 I423 V424 L425 F520 V560F412-L421 HydrophobicContact CD1-CD2 4.03Å; F412-L421 HydrophobicContact CE1-CD1 4.44Å; F412-L421 HydrophobicContact CE1-CD2 3.12Å; F412-L421 HydrophobicContact CE1-CG 4.28Å; F412-L421 HydrophobicContact CZ-CD1 4.13Å; F412-L421 HydrophobicContact CZ-CD2 3.44Å; F412-L421 VanDerWaalsContact CZ-CD2 3.44Å; F412-L421 HydrophobicContact CZ-CG 4.19Å; L417-L421 HydrophobicContact CD2-CD2 3.61Å; L417-L421 HydrophobicContact CD2-CG 4.01Å; L417-L421 HydrophobicContact CG-CD2 4.29Å; N418-L421 VanDerWaalsContact OD1-CB 3.3Å; N418-L421 WeakPolarHBondContact OD1-CB 3.25Å; N418-L421 PolarHBondContact OD1-N 2.92Å; L421-I423 VanDerWaalsContact C-N 3.33Å; L421-I423 PolarHBondContact O-N 3.23Å; L421-V424 PolarHBondContact O-N 2.96Å; L421-L425 HydrophobicContact CD1-CD1 3.91Å; L421-L425 HydrophobicContact CD1-CD2 4.45Å; L421-L425 HydrophobicContact CD1-CG 3.91Å; L421-L425 HydrophobicContact CD2-CD1 4.42Å; L421-L425 HydrophobicContact CG-CD1 3.81Å; L421-L425 HydrophobicContact CG-CG 4.22Å; L421-L425 WeakPolarHBondContact O-CB 3.1Å; L421-L425 VanDerWaalsContact O-CG 3.24Å; L421-L425 WeakPolarHBondContact O-CG 3.35Å; L421-L425 PolarHBondContact O-N 3.19Å; L421-F520 HydrophobicContact CD2-CE1 4Å; L421-F520 HydrophobicContact CD2-CE2 3.94Å; L421-F520 HydrophobicContact CD2-CZ 3.51Å; L421-V560 HydrophobicContact CB-CG2 4.23Å; L421-V560 HydrophobicContact CD1-CG2 4.15Å
422F79.4Confident69.4Low0 Ų033.6 Ų33.60%018%0.178CC..Hα-helixtrans-56.9-46.3176.1177.6-92000112.1Y26 I29 F30 L380 F385 A388 M389 I392 N418 I419 S420 L425 A426Y26-F422 WeakPolarHBondContact O-CE1 3.48Å; I29-F422 HydrophobicContact CG2-CZ 4.04Å; F30-F422 HydrophobicContact CB-CD1 3.78Å; F30-F422 HydrophobicContact CB-CE1 3.8Å; F30-F422 HydrophobicContact CB-CG 4.32Å; F30-F422 HydrophobicContact CB-CZ 4.35Å; F30-F422 HydrophobicContact CD2-CB 3.69Å; F30-F422 AromaticContact CD2-CD1 3.85Å; F30-F422 HydrophobicContact CD2-CD1 3.85Å; F30-F422 AromaticContact CD2-CD2 3.85Å; F30-F422 HydrophobicContact CD2-CD2 3.85Å; F30-F422 HydrophobicContact CD2-CE1 4.46Å; F30-F422 HydrophobicContact CD2-CE2 4.45Å; F30-F422 AromaticContact CD2-CG 3.51Å; F30-F422 HydrophobicContact CD2-CG 3.51Å; F30-F422 HydrophobicContact CE2-CB 4.03Å; F30-F422 HydrophobicContact CE2-CG 4.29Å; F30-F422 HydrophobicContact CG-CD1 4.24Å; F30-F422 HydrophobicContact CG-CG 4.34Å; L380-F422 HydrophobicContact CD1-CD2 4.2Å; L380-F422 HydrophobicContact CD1-CE2 4.32Å; F385-F422 AromaticContact CD2-CD2 3.68Å; F385-F422 HydrophobicContact CD2-CD2 3.68Å; F385-F422 HydrophobicContact CD2-CE2 4.04Å; F385-F422 AromaticContact CE2-CD2 3.72Å; F385-F422 HydrophobicContact CE2-CD2 3.72Å; F385-F422 HydrophobicContact CE2-CE2 4.16Å; A388-F422 HydrophobicContact CB-CE2 3.49Å; A388-F422 VanDerWaalsContact CB-CE2 3.49Å; A388-F422 HydrophobicContact CB-CZ 3.72Å; M389-F422 HydrophobicContact CE-CD1 4.49Å; M389-F422 HydrophobicContact CE-CD2 3.56Å; M389-F422 HydrophobicContact CE-CE1 4.14Å; M389-F422 HydrophobicContact CE-CE2 3.12Å; M389-F422 HydrophobicContact CE-CG 4.23Å; M389-F422 HydrophobicContact CE-CZ 3.47Å; M389-F422 VanDerWaalsContact CE-CZ 3.47Å; I392-F422 HydrophobicContact CD1-CE1 3.9Å; I392-F422 HydrophobicContact CD1-CZ 3.69Å; N418-F422 PolarHBondContact O-N 3.31Å; N418-F422 VanDerWaalsContact O-N 3.1Å; I419-F422 WeakPolarHBondContact O-CB 3.31Å; I419-F422 PolarHBondContact O-N 3.2Å; S420-F422 VanDerWaalsContact C-N 3.34Å; F422-L425 PolarHBondContact O-N 3.4Å; F422-A426 VanDerWaalsContact O-CB 3.31Å; F422-A426 WeakPolarHBondContact O-CB 3.21Å; F422-A426 PolarHBondContact O-N 3.2Å
423I81.7Confident70.2Confident1 Ų141.1 Ų41.11%0.00521%0.207CC..Hα-helixtrans-61-46.3179-72.8165.7000111V18 Y26 E27 W367 I419 S420 L421 L425 A426 A427V18-I423 HydrophobicContact CG1-CG2 3.7Å; V18-I423 HydrophobicContact CG2-CG2 4.05Å; Y26-I423 HydrophobicContact CD2-CG2 4.08Å; E27-I423 HydrophobicContact CG-CD1 3.98Å; W367-I423 HydrophobicContact CB-CD1 4.39Å; W367-I423 HydrophobicContact CE3-CD1 4.43Å; W367-I423 HydrophobicContact CE3-CG2 4.43Å; I419-I423 HydrophobicContact CG1-CD1 4.04Å; I419-I423 HydrophobicContact CG1-CG1 4.47Å; I419-I423 WeakPolarHBondContact O-CG1 3.28Å; I419-I423 PolarHBondContact O-N 3.4Å; S420-I423 PolarHBondContact O-N 2.89Å; L421-I423 VanDerWaalsContact C-N 3.33Å; L421-I423 PolarHBondContact O-N 3.23Å; I423-L425 VanDerWaalsContact C-N 3.35Å; I423-L425 PolarHBondContact O-N 3.11Å; I423-A426 WeakPolarHBondContact O-CB 3.47Å; I423-A426 PolarHBondContact O-N 2.97Å; I423-A427 WeakPolarHBondContact O-CB 3.33Å; I423-A427 PolarHBondContact O-N 3.49Å
424V84.4Confident71.3Confident0 Ų038.1 Ų38.10%020%0.196CC..Hα-helixtrans-65.3-40.1178.91730000111.1I17 V18 S420 L421 L428 V560 L563 E564I17-V424 HydrophobicContact CD1-CG1 4.05Å; V18-V424 HydrophobicContact CG2-CG2 4.28Å; S420-V424 WeakPolarHBondContact O-CG2 3.47Å; S420-V424 PolarHBondContact O-N 3.28Å; L421-V424 PolarHBondContact O-N 2.96Å; V424-L428 VanDerWaalsContact O-CB 3.24Å; V424-L428 WeakPolarHBondContact O-CB 3.43Å; V424-L428 PolarHBondContact O-N 2.96Å; V424-V560 HydrophobicContact CB-CG1 4.36Å; V424-V560 HydrophobicContact CG2-CG1 3.78Å; V424-L563 HydrophobicContact CG1-CB 3.41Å; V424-L563 VanDerWaalsContact CG1-CB 3.41Å; V424-L563 HydrophobicContact CG1-CD1 4.12Å; V424-L563 HydrophobicContact CG1-CG 4.44Å; V424-E564 HydrophobicContact CG2-CB 4.24Å
425L83.1Confident72.5Confident1 Ų134.5 Ų34.51%0.00516%0.159CC..Hα-helixtrans-67.9-37.3176.1-69.9175.5000112.5F385 F412 L417 L421 F422 I423 L428 A429 I455F385-L425 HydrophobicContact CE2-CB 4.44Å; F385-L425 HydrophobicContact CE2-CD1 3.88Å; F385-L425 HydrophobicContact CZ-CB 4.25Å; F385-L425 HydrophobicContact CZ-CD1 3.69Å; F412-L425 HydrophobicContact CE2-CD1 4.13Å; F412-L425 HydrophobicContact CZ-CD1 4.09Å; L417-L425 HydrophobicContact CD2-CD1 3.64Å; L421-L425 HydrophobicContact CD1-CD1 3.91Å; L421-L425 HydrophobicContact CD1-CD2 4.45Å; L421-L425 HydrophobicContact CD1-CG 3.91Å; L421-L425 HydrophobicContact CD2-CD1 4.42Å; L421-L425 HydrophobicContact CG-CD1 3.81Å; L421-L425 HydrophobicContact CG-CG 4.22Å; L421-L425 WeakPolarHBondContact O-CB 3.1Å; L421-L425 VanDerWaalsContact O-CG 3.24Å; L421-L425 WeakPolarHBondContact O-CG 3.35Å; L421-L425 PolarHBondContact O-N 3.19Å; F422-L425 PolarHBondContact O-N 3.4Å; I423-L425 VanDerWaalsContact C-N 3.35Å; I423-L425 PolarHBondContact O-N 3.11Å; L425-L428 PolarHBondContact O-N 2.97Å; L425-A429 WeakPolarHBondContact O-CB 3.42Å; L425-A429 PolarHBondContact O-N 3.32Å; L425-I455 HydrophobicContact CD2-CD1 3.54Å; L425-I455 HydrophobicContact CD2-CG1 4.36Å
426A81.4Confident73.5Confident0 Ų033.6 Ų33.60%016%0.158CC..Hα-helixtrans-59.5-54173.200000111Y26 M389 I392 F422 I423 L428 A429 E430Y26-A426 HydrophobicContact CD1-CB 3.71Å; Y26-A426 HydrophobicContact CD2-CB 4.11Å; Y26-A426 HydrophobicContact CE1-CB 3.82Å; Y26-A426 HydrophobicContact CE2-CB 4.19Å; Y26-A426 HydrophobicContact CG-CB 3.85Å; M389-A426 HydrophobicContact CE-CB 3.92Å; I392-A426 HydrophobicContact CD1-CB 3.36Å; F422-A426 VanDerWaalsContact O-CB 3.31Å; F422-A426 WeakPolarHBondContact O-CB 3.21Å; F422-A426 PolarHBondContact O-N 3.2Å; I423-A426 WeakPolarHBondContact O-CB 3.47Å; I423-A426 PolarHBondContact O-N 2.97Å; A426-L428 VanDerWaalsContact C-N 3.28Å; A426-L428 PolarHBondContact O-N 2.9Å; A426-A429 WeakPolarHBondContact O-CB 3.5Å; A426-A429 PolarHBondContact O-N 3.28Å; A426-E430 PolarHBondContact O-N 3.45Å
427A83Confident74.1Confident3 Ų331.1 Ų31.13%0.02516%0.158CC..Hα-helixtrans-58.9-40.2177.100000111.8I17 V18 Y26 I423 A429 E430I17-A427 HydrophobicContact CD1-CB 4.15Å; I17-A427 HydrophobicContact CG1-CB 4.02Å; V18-A427 HydrophobicContact CG2-CB 4.02Å; Y26-A427 HydrophobicContact CE2-CB 4.26Å; I423-A427 WeakPolarHBondContact O-CB 3.33Å; I423-A427 PolarHBondContact O-N 3.49Å; A427-A429 VanDerWaalsContact C-N 3.31Å; A427-A429 PolarHBondContact O-N 3.48Å; A427-E430 PolarHBondContact O-N 3.22Å
428L83.1Confident74.2Confident1 Ų133 Ų331%0.00517%0.168CC..Hα-helixtrans-69.2-28.7177.3-167.267.2000112.9I17 V424 L425 A426 E430 L435 L451 K454 I455 L563 L566I17-L428 HydrophobicContact CD1-CB 4.04Å; I17-L428 HydrophobicContact CD1-CD1 4.15Å; V424-L428 VanDerWaalsContact O-CB 3.24Å; V424-L428 WeakPolarHBondContact O-CB 3.43Å; V424-L428 PolarHBondContact O-N 2.96Å; L425-L428 PolarHBondContact O-N 2.97Å; A426-L428 VanDerWaalsContact C-N 3.28Å; A426-L428 PolarHBondContact O-N 2.9Å; L428-E430 VanDerWaalsContact C-N 3.29Å; L428-L435 HydrophobicContact CD1-CD1 3.5Å; L428-L435 VanDerWaalsContact CD1-CD1 3.5Å; L428-L451 HydrophobicContact CB-CD1 4.11Å; L428-L451 HydrophobicContact CD2-CD1 3.98Å; L428-L451 HydrophobicContact CG-CD1 3.96Å; L428-K454 HydrophobicContact CD1-CB 4.22Å; L428-K454 HydrophobicContact CD1-CD 3.98Å; L428-K454 HydrophobicContact CD2-CB 4.15Å; L428-K454 HydrophobicContact CG-CB 4.11Å; L428-K454 HydrophobicContact CG-CD 3.96Å; L428-K454 WeakPolarHBondContact O-CD 3.49Å; L428-K454 PolarHBondContact O-NZ 3.48Å; L428-I455 HydrophobicContact CD2-CD1 4.18Å; L428-I455 HydrophobicContact CD2-CG1 3.5Å; L428-L563 HydrophobicContact CD2-CD2 4.48Å; L428-L566 HydrophobicContact CD1-CD2 4.1Å
429A77.3Confident73.9Confident6 Ų631.4 Ų31.45%0.0516%0.16CC..Hα-helixtrans-70.2-30176.300000111.8L396 L425 A426 A427 L451L396-A429 HydrophobicContact CD1-CB 4.03Å; L425-A429 WeakPolarHBondContact O-CB 3.42Å; L425-A429 PolarHBondContact O-N 3.32Å; A426-A429 WeakPolarHBondContact O-CB 3.5Å; A426-A429 PolarHBondContact O-N 3.28Å; A427-A429 VanDerWaalsContact C-N 3.31Å; A427-A429 PolarHBondContact O-N 3.48Å; A429-L451 HydrophobicContact CB-CD1 4.28Å; A429-L451 HydrophobicContact CB-CD2 4.14Å
430E74.4Confident73.6Confident52 Ų5232.8 Ų32.824%0.24318%0.176CC..SBendtrans-66.6165.6174-64.1-167.1-166.700112.8Q22 Y26 A426 A427 L428 F432 K454Q22-E430 PolarHBondContact NE2-OE1 3.25Å; Q22-E430 PolarHBondContact NE2-OE2 3.39Å; Q22-E430 PolarHBondContact OE1-OE2 3.37Å; Y26-E430 WeakPolarHBondContact CE1-OE1 3.19Å; Y26-E430 PolarHBondContact OH-OE1 3.42Å; A426-E430 PolarHBondContact O-N 3.45Å; A427-E430 PolarHBondContact O-N 3.22Å; L428-E430 VanDerWaalsContact C-N 3.29Å; E430-F432 PolarHBondContact O-N 3.32Å; E430-K454 PolarHBondContact O-NZ 3.41Å
431R64.3Low73Confident106 Ų10638.5 Ų38.540%0.420%0.204SC..  trans-77.5117.1178.5-174.7177.8178.6171.7-0.9108.9H444R431-H444 PolarHBondContact NH2-ND1 3.44Å
432F63.8Low72.1Confident51 Ų5141.2 Ų41.222%0.22422%0.218CC..  trans-121.4116.2178.7-157.1-92000110.4I17 E430 G434 L435 P567I17-F432 HydrophobicContact CB-CD2 4.4Å; I17-F432 HydrophobicContact CB-CE2 4.21Å; I17-F432 HydrophobicContact CG2-CD1 4.47Å; I17-F432 HydrophobicContact CG2-CE1 4.28Å; I17-F432 HydrophobicContact CG2-CE2 4.31Å; I17-F432 HydrophobicContact CG2-CZ 4.18Å; E430-F432 PolarHBondContact O-N 3.32Å; F432-G434 VanDerWaalsContact C-N 3.29Å; F432-G434 PolarHBondContact O-N 3.43Å; F432-L435 HydrophobicContact CB-CD1 4.22Å; F432-L435 HydrophobicContact CB-CG 4.35Å; F432-L435 HydrophobicContact CD1-CG 4.07Å; F432-L435 PolarHBondContact O-N 3.32Å; F432-P567 HydrophobicContact CD1-CG 4.03Å; F432-P567 HydrophobicContact CE1-CB 4.17Å; F432-P567 HydrophobicContact CE1-CG 3.37Å; F432-P567 HydrophobicContact CZ-CG 4.05Å
433Y63.2Low70.8Confident159 Ų15941.6 Ų41.662%0.62422%0.221SC*.G310 helixtrans-63.4-33.6-178.3-68.7-82.3000112.3L435 E436Y433-L435 PolarHBondContact O-N 2.82Å; Y433-L435 VanDerWaalsContact O-N 3.07Å; Y433-E436 VanDerWaalsContact CD1-OE1 3.24Å; Y433-E436 WeakPolarHBondContact CD1-OE1 3.42Å; Y433-E436 VanDerWaalsContact O-CB 3.31Å; Y433-E436 WeakPolarHBondContact O-CB 3.26Å; Y433-E436 VanDerWaalsContact O-CG 3.28Å; Y433-E436 WeakPolarHBondContact O-CG 3.42Å; Y433-E436 PolarHBondContact O-N 2.96Å
434G64.7Low69.4Low36 Ų3647.7 Ų47.737%0.37125%0.249SC..G310 helixtrans-64.4-12.8179.300000115.2F432F432-G434 VanDerWaalsContact C-N 3.29Å; F432-G434 PolarHBondContact O-N 3.43Å
435L70Confident68Low1 Ų153.6 Ų53.61%0.00527%0.274CS..G310 helixtrans-98.25.4177.1-57.5176.3000112.9L428 F432 Y433 S437 I438 I439 K454 L566 P567L428-L435 HydrophobicContact CD1-CD1 3.5Å; L428-L435 VanDerWaalsContact CD1-CD1 3.5Å; F432-L435 HydrophobicContact CB-CD1 4.22Å; F432-L435 HydrophobicContact CB-CG 4.35Å; F432-L435 HydrophobicContact CD1-CG 4.07Å; F432-L435 PolarHBondContact O-N 3.32Å; Y433-L435 PolarHBondContact O-N 2.82Å; Y433-L435 VanDerWaalsContact O-N 3.07Å; L435-S437 VanDerWaalsContact C-N 3.25Å; L435-S437 PolarHBondContact O-N 3.41Å; L435-I438 HydrophobicContact CB-CD1 4.31Å; L435-I438 HydrophobicContact CD2-CD1 3.48Å; L435-I438 VanDerWaalsContact CD2-CD1 3.48Å; L435-I438 HydrophobicContact CG-CD1 4.47Å; L435-I438 PolarHBondContact O-N 3.02Å; L435-I438 VanDerWaalsContact O-N 3.13Å; L435-I439 HydrophobicContact CB-CD1 3.82Å; L435-I439 PolarHBondContact O-N 3.04Å; L435-K454 HydrophobicContact CD1-CD 4.06Å; L435-K454 HydrophobicContact CD1-CG 4.36Å; L435-L566 HydrophobicContact CD1-CD2 4.32Å; L435-L566 HydrophobicContact CD2-CB 4.46Å; L435-L566 HydrophobicContact CD2-CD2 3.64Å; L435-L566 HydrophobicContact CD2-CG 3.77Å; L435-P567 HydrophobicContact CD2-CG 4.26Å
436E69.9Low66.8Low79 Ų7955.5 Ų55.537%0.36928%0.284SS..Hα-helixtrans-57.6-38.9-179.1-80.1-179.4178.400113Y433 I438 G440 V443Y433-E436 VanDerWaalsContact CD1-OE1 3.24Å; Y433-E436 WeakPolarHBondContact CD1-OE1 3.42Å; Y433-E436 VanDerWaalsContact O-CB 3.31Å; Y433-E436 WeakPolarHBondContact O-CB 3.26Å; Y433-E436 VanDerWaalsContact O-CG 3.28Å; Y433-E436 WeakPolarHBondContact O-CG 3.42Å; Y433-E436 PolarHBondContact O-N 2.96Å; E436-I438 VanDerWaalsContact C-N 3.28Å; E436-I438 PolarHBondContact O-N 3.28Å; E436-G440 WeakPolarHBondContact O-CA 3.32Å; E436-G440 PolarHBondContact O-N 3.37Å; E436-V443 HydrophobicContact CB-CG2 4.14Å; E436-V443 HydrophobicContact CG-CB 4.11Å; E436-V443 HydrophobicContact CG-CG1 3.71Å; E436-V443 HydrophobicContact CG-CG2 3.73Å
437S68.9Low66Low65 Ų6556 Ų5646%0.45529%0.29SS..Hα-helixtrans-63.9-29.5178.455.80000114.2L435 V570L435-S437 VanDerWaalsContact C-N 3.25Å; L435-S437 PolarHBondContact O-N 3.41Å; S437-V570 WeakPolarHBondContact OG-CG1 3.46Å
438I67.2Low65.2Low40 Ų4056.1 Ų56.121%0.20529%0.29CS..Hα-helixtrans-85.5-42.5-176.3-54.5166.5000111.3L435 E436 K457 L566 V570L435-I438 HydrophobicContact CB-CD1 4.31Å; L435-I438 HydrophobicContact CD2-CD1 3.48Å; L435-I438 VanDerWaalsContact CD2-CD1 3.48Å; L435-I438 HydrophobicContact CG-CD1 4.47Å; L435-I438 PolarHBondContact O-N 3.02Å; L435-I438 VanDerWaalsContact O-N 3.13Å; E436-I438 VanDerWaalsContact C-N 3.28Å; E436-I438 PolarHBondContact O-N 3.28Å; I438-K457 HydrophobicContact CG2-CB 3.27Å; I438-K457 HydrophobicContact CG2-CD 4.32Å; I438-K457 HydrophobicContact CG2-CG 3.76Å; I438-L566 HydrophobicContact CD1-CG 4.49Å; I438-V570 HydrophobicContact CD1-CB 4.05Å; I438-V570 HydrophobicContact CD1-CG1 3.86Å; I438-V570 HydrophobicContact CD1-CG2 3.12Å; I438-V570 HydrophobicContact CG1-CB 4.23Å; I438-V570 HydrophobicContact CG1-CG1 3.51Å; I438-V570 HydrophobicContact CG1-CG2 3.68Å
439I64.8Low64.6Low14 Ų1459.1 Ų59.17%0.07230%0.304CS..Hα-helixtrans-93.4-18.9-169-53.5160.8000110.6L435 N442 V443 K454L435-I439 HydrophobicContact CB-CD1 3.82Å; L435-I439 PolarHBondContact O-N 3.04Å; I439-N442 HydrophobicContact CG2-CB 3.45Å; I439-N442 VanDerWaalsContact CG2-CB 3.45Å; I439-N442 PolarHBondContact O-N 3.39Å; I439-V443 HydrophobicContact CB-CG2 3.74Å; I439-V443 HydrophobicContact CD1-CG2 4.23Å; I439-V443 HydrophobicContact CG2-CG2 4.05Å; I439-K454 HydrophobicContact CD1-CD 3.87Å; I439-K454 VanDerWaalsContact CD1-CE 3.44Å; I439-K454 HydrophobicContact CD1-CG 3.25Å; I439-K454 HydrophobicContact CG1-CG 3.88Å
440G66.5Low64.5Low38 Ų3859.1 Ų59.139%0.39230%0.304SS..G310 helixtrans58.3-137.9-176.300000111.7E436 N442 V443E436-G440 WeakPolarHBondContact O-CA 3.32Å; E436-G440 PolarHBondContact O-N 3.37Å; G440-N442 PolarHBondContact O-N 2.93Å; G440-V443 WeakPolarHBondContact O-CG2 3.33Å; G440-V443 PolarHBondContact O-N 2.79Å
441N62.9Low64.7Low153 Ų15356.8 Ų56.882%0.81829%0.293SS*.G310 helixtrans-63.6-8.2-177.5-63.1-6.8000114.6V443N441-V443 VanDerWaalsContact C-N 3.29Å; N441-V443 PolarHBondContact O-N 3.41Å
442N59.8Low65.3Low59 Ų5954 Ų5432%0.31628%0.283SS..G310 helixtrans-79.6-6.7177.6-70.2-47000113.4I439 G440 H444 K445I439-N442 HydrophobicContact CG2-CB 3.45Å; I439-N442 VanDerWaalsContact CG2-CB 3.45Å; I439-N442 PolarHBondContact O-N 3.39Å; G440-N442 PolarHBondContact O-N 2.93Å; N442-H444 PolarHBondContact O-N 3.03Å; N442-K445 WeakPolarHBondContact O-CB 3.14Å; N442-K445 PolarHBondContact O-N 3.21Å
443V52.5Low66Low8 Ų853.6 Ų53.65%0.04828%0.282CS..G310 helixtrans-61.5-32.2-179-179.10000111.9E436 I439 G440 N441 K445E436-V443 HydrophobicContact CB-CG2 4.14Å; E436-V443 HydrophobicContact CG-CB 4.11Å; E436-V443 HydrophobicContact CG-CG1 3.71Å; E436-V443 HydrophobicContact CG-CG2 3.73Å; I439-V443 HydrophobicContact CB-CG2 3.74Å; I439-V443 HydrophobicContact CD1-CG2 4.23Å; I439-V443 HydrophobicContact CG2-CG2 4.05Å; G440-V443 WeakPolarHBondContact O-CG2 3.33Å; G440-V443 PolarHBondContact O-N 2.79Å; N441-V443 VanDerWaalsContact C-N 3.29Å; N441-V443 PolarHBondContact O-N 3.41Å; V443-K445 PolarHBondContact O-N 3.47Å
444H52.2Low66.9Low129 Ų12946.5 Ų46.560%0.59726%0.255SS*.G310 helixtrans-71.2-14.6178.1-55.9-44.6000113R431 N442 I446R431-H444 PolarHBondContact NH2-ND1 3.44Å; N442-H444 PolarHBondContact O-N 3.03Å; H444-I446 PolarHBondContact O-N 3.32Å
445K55.3Low67.7Low124 Ų12445 Ų4554%0.53924%0.238SC..  trans-82.1115.3172.4-64.2-179.6-178.8168.80107.3N442 V443 S450N442-K445 WeakPolarHBondContact O-CB 3.14Å; N442-K445 PolarHBondContact O-N 3.21Å; V443-K445 PolarHBondContact O-N 3.47Å; K445-S450 WeakPolarHBondContact O-CB 3.15Å; K445-S450 PolarHBondContact O-OG 3.03Å
446I58.4Low68.3Low41 Ų4150.5 Ų50.521%0.2126%0.259CS..  trans-99.6122.8168.7-61.7172.1000105.2D393 R395 H444D393-I446 WeakPolarHBondContact OD2-CG2 3.47Å; R395-I446 HydrophobicContact CB-CB 4.21Å; R395-I446 HydrophobicContact CB-CG2 3.61Å; R395-I446 HydrophobicContact CG-CG2 4.4Å; H444-I446 PolarHBondContact O-N 3.32Å
447G63.1Low69Low12 Ų1250.2 Ų50.212%0.12426%0.256CS..SBendtrans154.7173.5-171.700000113.9L396 Q449 S450 L451L396-G447 VanDerWaalsContact CD2-C 3.5Å; G447-Q449 PolarHBondContact O-N 3.07Å; G447-S450 WeakPolarHBondContact O-CB 3.42Å; G447-S450 PolarHBondContact O-N 3.17Å; G447-L451 PolarHBondContact O-N 3.28Å
448T66.5Low69.8Low4 Ų447.1 Ų47.13%0.02523%0.234CC..Hα-helixtrans-56.1-37.4-177.9490000112.2I398 I405 I408 S450 L451 Y452I398-T448 HydrophobicContact CB-CG2 4.25Å; I398-T448 HydrophobicContact CG1-CG2 3.72Å; I405-T448 HydrophobicContact CD1-CG2 4.36Å; I405-T448 HydrophobicContact CG1-CG2 3.85Å; I408-T448 VanDerWaalsContact CD1-O 3.26Å; I408-T448 WeakPolarHBondContact CD1-O 3.4Å; T448-S450 VanDerWaalsContact C-N 3.31Å; T448-S450 PolarHBondContact O-N 3.18Å; T448-L451 PolarHBondContact O-N 3.37Å; T448-Y452 VanDerWaalsContact O-CB 3.31Å; T448-Y452 WeakPolarHBondContact O-CB 3.39Å; T448-Y452 PolarHBondContact O-N 3.41Å
449Q71.7Confident70.5Confident64 Ų6447.6 Ų47.630%0.29923%0.234SC..Hα-helixtrans-64.2-34.7177.7-17361.62.600113.5G447 M453G447-Q449 PolarHBondContact O-N 3.07Å; Q449-M453 WeakPolarHBondContact O-CB 3.37Å; Q449-M453 VanDerWaalsContact O-CG 3.23Å; Q449-M453 WeakPolarHBondContact O-CG 3.38Å; Q449-M453 PolarHBondContact O-N 3.47Å
450S74Confident71.5Confident7 Ų750.3 Ų50.35%0.04925%0.246CC..Hα-helixtrans-70.9-46.8178.4-170.30000110.6K445 G447 T448 Y452 M453 K454K445-S450 WeakPolarHBondContact O-CB 3.15Å; K445-S450 PolarHBondContact O-OG 3.03Å; G447-S450 WeakPolarHBondContact O-CB 3.42Å; G447-S450 PolarHBondContact O-N 3.17Å; T448-S450 VanDerWaalsContact C-N 3.31Å; T448-S450 PolarHBondContact O-N 3.18Å; S450-Y452 VanDerWaalsContact C-N 3.33Å; S450-Y452 PolarHBondContact O-N 2.94Å; S450-M453 PolarHBondContact O-N 3.03Å; S450-K454 WeakPolarHBondContact O-CG 3.34Å; S450-K454 PolarHBondContact O-N 2.89Å
451L78.4Confident72.5Confident3 Ų349.2 Ų49.22%0.01623%0.231CC..Hα-helixtrans-60-43.6174.6-179.360.6000111.5I408 L428 A429 G447 T448 M453 K454 I455I408-L451 HydrophobicContact CD1-CB 4.13Å; I408-L451 HydrophobicContact CD1-CD2 4.06Å; I408-L451 HydrophobicContact CD1-CG 4.09Å; I408-L451 HydrophobicContact CG2-CG 4.29Å; L428-L451 HydrophobicContact CB-CD1 4.11Å; L428-L451 HydrophobicContact CD2-CD1 3.98Å; L428-L451 HydrophobicContact CG-CD1 3.96Å; A429-L451 HydrophobicContact CB-CD1 4.28Å; A429-L451 HydrophobicContact CB-CD2 4.14Å; G447-L451 PolarHBondContact O-N 3.28Å; T448-L451 PolarHBondContact O-N 3.37Å; L451-M453 PolarHBondContact O-N 3.31Å; L451-K454 PolarHBondContact O-N 3.49Å; L451-I455 HydrophobicContact CD1-CD1 3.66Å; L451-I455 HydrophobicContact CD1-CG1 4.23Å; L451-I455 HydrophobicContact CG-CD1 3.84Å; L451-I455 WeakPolarHBondContact O-CB 3.27Å; L451-I455 WeakPolarHBondContact O-CG1 3.27Å; L451-I455 PolarHBondContact O-N 3.29Å
452Y77.5Confident73.7Confident47 Ų4742 Ų4218%0.18419%0.193CC..Hα-helixtrans-53.3-52.2173177.1-104.6000111.7F403 I408 T448 S450 I455 R456F403-Y452 HydrophobicContact CE1-CD1 4.38Å; F403-Y452 HydrophobicContact CE1-CE1 4.27Å; I408-Y452 HydrophobicContact CB-CD2 4.47Å; I408-Y452 HydrophobicContact CG1-CD2 4.03Å; I408-Y452 HydrophobicContact CG1-CG 4.4Å; T448-Y452 VanDerWaalsContact O-CB 3.31Å; T448-Y452 WeakPolarHBondContact O-CB 3.39Å; T448-Y452 PolarHBondContact O-N 3.41Å; S450-Y452 VanDerWaalsContact C-N 3.33Å; S450-Y452 PolarHBondContact O-N 2.94Å; Y452-I455 PolarHBondContact O-N 2.86Å; Y452-R456 VanDerWaalsContact O-CB 3.31Å; Y452-R456 WeakPolarHBondContact O-CB 3.05Å; Y452-R456 PolarHBondContact O-N 3.44Å
453M77.7Confident74.9Confident43 Ų4342 Ų4221%0.21219%0.192CC..Hα-helixtrans-66-39.9-178.2-72.5-59.4-58.700112.3Q449 S450 L451 R456 K457Q449-M453 WeakPolarHBondContact O-CB 3.37Å; Q449-M453 VanDerWaalsContact O-CG 3.23Å; Q449-M453 WeakPolarHBondContact O-CG 3.38Å; Q449-M453 PolarHBondContact O-N 3.47Å; S450-M453 PolarHBondContact O-N 3.03Å; L451-M453 PolarHBondContact O-N 3.31Å; M453-R456 PolarHBondContact O-N 2.64Å; M453-K457 WeakPolarHBondContact O-CB 3.42Å; M453-K457 WeakPolarHBondContact O-CG 3.46Å; M453-K457 PolarHBondContact O-N 3.16Å
454K82.8Confident76.5Confident10 Ų1047.7 Ų47.74%0.04322%0.221CC..Hα-helixtrans-56.3-52.6173.6-76.2176.2-169.4-1770111.1L428 E430 L435 I439 S450 L451 K457 A458L428-K454 HydrophobicContact CD1-CB 4.22Å; L428-K454 HydrophobicContact CD1-CD 3.98Å; L428-K454 HydrophobicContact CD2-CB 4.15Å; L428-K454 HydrophobicContact CG-CB 4.11Å; L428-K454 HydrophobicContact CG-CD 3.96Å; L428-K454 WeakPolarHBondContact O-CD 3.49Å; L428-K454 PolarHBondContact O-NZ 3.48Å; E430-K454 PolarHBondContact O-NZ 3.41Å; L435-K454 HydrophobicContact CD1-CD 4.06Å; L435-K454 HydrophobicContact CD1-CG 4.36Å; I439-K454 HydrophobicContact CD1-CD 3.87Å; I439-K454 VanDerWaalsContact CD1-CE 3.44Å; I439-K454 HydrophobicContact CD1-CG 3.25Å; I439-K454 HydrophobicContact CG1-CG 3.88Å; S450-K454 WeakPolarHBondContact O-CG 3.34Å; S450-K454 PolarHBondContact O-N 2.89Å; L451-K454 PolarHBondContact O-N 3.49Å; K454-K457 PolarHBondContact O-N 3.27Å; K454-A458 VanDerWaalsContact O-CB 3.26Å; K454-A458 WeakPolarHBondContact O-CB 3.31Å; K454-A458 PolarHBondContact O-N 3.09Å
455I82.4Confident78.1Confident3 Ų342 Ų422%0.01520%0.196CC..Hα-helixtrans-66-42.3-177.6-73167.2000111I408 I411 L425 L428 L451 Y452 K457 A458 R459I408-I455 HydrophobicContact CG2-CB 4.4Å; I408-I455 HydrophobicContact CG2-CD1 3.26Å; I408-I455 HydrophobicContact CG2-CG1 4.37Å; I411-I455 HydrophobicContact CD1-CG2 3.7Å; L425-I455 HydrophobicContact CD2-CD1 3.54Å; L425-I455 HydrophobicContact CD2-CG1 4.36Å; L428-I455 HydrophobicContact CD2-CD1 4.18Å; L428-I455 HydrophobicContact CD2-CG1 3.5Å; L451-I455 HydrophobicContact CD1-CD1 3.66Å; L451-I455 HydrophobicContact CD1-CG1 4.23Å; L451-I455 HydrophobicContact CG-CD1 3.84Å; L451-I455 WeakPolarHBondContact O-CB 3.27Å; L451-I455 WeakPolarHBondContact O-CG1 3.27Å; L451-I455 PolarHBondContact O-N 3.29Å; Y452-I455 PolarHBondContact O-N 2.86Å; I455-K457 PolarHBondContact O-N 3.09Å; I455-A458 PolarHBondContact O-N 3.42Å; I455-R459 WeakPolarHBondContact O-CG 3.45Å; I455-R459 PolarHBondContact O-N 2.95Å
456R81.5Confident79.5Confident118 Ų11837.6 Ų37.645%0.44519%0.185SC..Hα-helixtrans-59.4-47.1175.5178.9179170.3154.2-0.6111.7Y452 M453 R459 E460Y452-R456 VanDerWaalsContact O-CB 3.31Å; Y452-R456 WeakPolarHBondContact O-CB 3.05Å; Y452-R456 PolarHBondContact O-N 3.44Å; M453-R456 PolarHBondContact O-N 2.64Å; R456-R459 WeakPolarHBondContact O-CB 3.43Å; R456-R459 PolarHBondContact O-N 3.46Å; R456-E460 IonicContact NE-OE1 3.63Å; R456-E460 PolarHBondContact NE-OE1 3.48Å; R456-E460 WeakPolarHBondContact O-CG 3.37Å; R456-E460 PolarHBondContact O-N 2.86Å
457K85.1Confident80.7Confident72 Ų7235.7 Ų35.731%0.31318%0.176SC..Hα-helixtrans-70-37.6179.5-72.3-70.6174.9-164.90112.9I438 M453 K454 I455 R459 E460 L461I438-K457 HydrophobicContact CG2-CB 3.27Å; I438-K457 HydrophobicContact CG2-CD 4.32Å; I438-K457 HydrophobicContact CG2-CG 3.76Å; M453-K457 WeakPolarHBondContact O-CB 3.42Å; M453-K457 WeakPolarHBondContact O-CG 3.46Å; M453-K457 PolarHBondContact O-N 3.16Å; K454-K457 PolarHBondContact O-N 3.27Å; I455-K457 PolarHBondContact O-N 3.09Å; K457-R459 VanDerWaalsContact C-N 3.26Å; K457-R459 PolarHBondContact O-N 3.11Å; K457-E460 WeakPolarHBondContact CD-OE2 3.3Å; K457-E460 IonicContact NZ-OE1 3.39Å; K457-E460 IonicContact NZ-OE2 3.95Å; K457-E460 PolarHBondContact NZ-OE2 2.82Å; K457-E460 PolarHBondContact O-N 3.47Å; K457-L461 PolarHBondContact O-N 2.81Å
458A86.1Confident81.2Confident0 Ų037 Ų370%018%0.18CC..Hα-helixtrans-58.9-4017200000111.3K454 I455 L461 F462 F562 L563 L566K454-A458 VanDerWaalsContact O-CB 3.26Å; K454-A458 WeakPolarHBondContact O-CB 3.31Å; K454-A458 PolarHBondContact O-N 3.09Å; I455-A458 PolarHBondContact O-N 3.42Å; A458-L461 PolarHBondContact O-N 3.27Å; A458-F462 VanDerWaalsContact O-CB 3.28Å; A458-F462 WeakPolarHBondContact O-CB 3.43Å; A458-F462 PolarHBondContact O-N 3.4Å; A458-F562 HydrophobicContact CB-CE1 4.2Å; A458-F562 VanDerWaalsContact O-CE1 3.31Å; A458-F562 WeakPolarHBondContact O-CE1 3.22Å; A458-L563 HydrophobicContact CB-CD2 3.56Å; A458-L566 HydrophobicContact CB-CD1 3.82Å; A458-L566 HydrophobicContact CB-CD2 3.79Å; A458-L566 HydrophobicContact CB-CG 4.49Å
459R81.6Confident81.2Confident50 Ų5038.3 Ų38.319%0.18919%0.186CC..Hα-helixtrans-65.6-45.3174.1-76.3166.6149.8-170.4-21.4113.3I455 R456 K457 L461 F462 I463 F559I455-R459 WeakPolarHBondContact O-CG 3.45Å; I455-R459 PolarHBondContact O-N 2.95Å; R456-R459 WeakPolarHBondContact O-CB 3.43Å; R456-R459 PolarHBondContact O-N 3.46Å; K457-R459 VanDerWaalsContact C-N 3.26Å; K457-R459 PolarHBondContact O-N 3.11Å; R459-L461 PolarHBondContact O-N 2.78Å; R459-F462 WeakPolarHBondContact O-CB 3.43Å; R459-F462 PolarHBondContact O-N 3.4Å; R459-I463 WeakPolarHBondContact O-CG1 3.35Å; R459-I463 PolarHBondContact O-N 2.79Å; R459-F559 HydrophobicContact CG-CE2 4.12Å; R459-F559 HydrophobicContact CG-CZ 3.79Å
460E85.2Confident80.6Confident71 Ų7139.2 Ų39.233%0.33219%0.187SC..Hα-helixtrans-55.1-46.1175.1-72.5171.4-162.600109.8R456 K457 L464R456-E460 IonicContact NE-OE1 3.63Å; R456-E460 PolarHBondContact NE-OE1 3.48Å; R456-E460 WeakPolarHBondContact O-CG 3.37Å; R456-E460 PolarHBondContact O-N 2.86Å; K457-E460 WeakPolarHBondContact CD-OE2 3.3Å; K457-E460 IonicContact NZ-OE1 3.39Å; K457-E460 IonicContact NZ-OE2 3.95Å; K457-E460 PolarHBondContact NZ-OE2 2.82Å; K457-E460 PolarHBondContact O-N 3.47Å; E460-L464 WeakPolarHBondContact O-CB 3.45Å; E460-L464 WeakPolarHBondContact O-CG 3.09Å; E460-L464 PolarHBondContact O-N 3.24Å
461L87.8Confident79.7Confident15 Ų1545.9 Ų45.98%0.07922%0.215CC..Hα-helixtrans-65.8-43.9175.8-178.159.1000112.8K457 A458 R459 I463 L464 I465 F562 L566 F569 V570 H573K457-L461 PolarHBondContact O-N 2.81Å; A458-L461 PolarHBondContact O-N 3.27Å; R459-L461 PolarHBondContact O-N 2.78Å; L461-I463 VanDerWaalsContact C-N 3.3Å; L461-I463 PolarHBondContact O-N 3.5Å; L461-L464 WeakPolarHBondContact O-CB 3.47Å; L461-L464 PolarHBondContact O-N 3.17Å; L461-L464 VanDerWaalsContact O-N 3.16Å; L461-I465 HydrophobicContact CD1-CD1 3.79Å; L461-I465 HydrophobicContact CD1-CG1 4.11Å; L461-I465 HydrophobicContact CD2-CD1 4.48Å; L461-I465 HydrophobicContact CG-CD1 3.73Å; L461-I465 HydrophobicContact CG-CG1 4.46Å; L461-I465 WeakPolarHBondContact O-CD1 3.46Å; L461-I465 VanDerWaalsContact O-CG1 3.26Å; L461-I465 WeakPolarHBondContact O-CG1 3.17Å; L461-I465 PolarHBondContact O-N 3.31Å; L461-F562 HydrophobicContact CB-CZ 4.34Å; L461-F562 HydrophobicContact CD2-CZ 4.24Å; L461-F562 HydrophobicContact CG-CZ 4.15Å; L461-L566 HydrophobicContact CD2-CD1 4.31Å; L461-F569 HydrophobicContact CD2-CB 4.03Å; L461-V570 HydrophobicContact CD2-CG2 3.66Å; L461-H573 HydrophobicContact CD1-CB 3.86Å
462F88.1Confident78.4Confident2 Ų249 Ų491%0.00923%0.23CC..Hα-helixtrans-55.6-46.8177.7-175.2-102.9000111.4A458 R459 I465 G467 I523 F559 F562A458-F462 VanDerWaalsContact O-CB 3.28Å; A458-F462 WeakPolarHBondContact O-CB 3.43Å; A458-F462 PolarHBondContact O-N 3.4Å; R459-F462 WeakPolarHBondContact O-CB 3.43Å; R459-F462 PolarHBondContact O-N 3.4Å; F462-I465 PolarHBondContact O-N 2.95Å; F462-G467 VanDerWaalsContact O-CA 3.24Å; F462-G467 WeakPolarHBondContact O-CA 3.45Å; F462-G467 PolarHBondContact O-N 2.65Å; F462-I523 HydrophobicContact CD2-CD1 3.47Å; F462-I523 VanDerWaalsContact CD2-CD1 3.47Å; F462-I523 HydrophobicContact CD2-CG1 3.86Å; F462-I523 HydrophobicContact CE1-CG1 4.39Å; F462-I523 HydrophobicContact CE2-CD1 3.38Å; F462-I523 HydrophobicContact CE2-CG1 3.4Å; F462-I523 VanDerWaalsContact CE2-CG1 3.4Å; F462-I523 HydrophobicContact CG-CD1 4.39Å; F462-I523 HydrophobicContact CZ-CD1 4.21Å; F462-I523 HydrophobicContact CZ-CG1 3.71Å; F462-F559 HydrophobicContact CB-CD2 4.32Å; F462-F559 HydrophobicContact CB-CE2 4.07Å; F462-F559 AromaticContact CD1-CD2 3.99Å; F462-F559 HydrophobicContact CD1-CD2 3.99Å; F462-F559 HydrophobicContact CD1-CE2 4.4Å; F462-F559 AromaticContact CD2-CD2 3.64Å; F462-F559 HydrophobicContact CD2-CD2 3.64Å; F462-F559 HydrophobicContact CD2-CE2 4.19Å; F462-F559 HydrophobicContact CE1-CD2 4.14Å; F462-F559 HydrophobicContact CE2-CB 4.29Å; F462-F559 AromaticContact CE2-CD2 3.78Å; F462-F559 HydrophobicContact CE2-CD2 3.78Å; F462-F559 AromaticContact CG-CD2 3.73Å; F462-F559 HydrophobicContact CG-CD2 3.73Å; F462-F559 AromaticContact CG-CE2 3.98Å; F462-F559 HydrophobicContact CG-CE2 3.98Å; F462-F559 HydrophobicContact CZ-CB 4.19Å; F462-F559 HydrophobicContact CZ-CD2 4.03Å; F462-F562 HydrophobicContact CB-CD1 4.23Å; F462-F562 HydrophobicContact CB-CE1 3.81Å; F462-F562 HydrophobicContact CB-CZ 3.96Å; F462-F562 HydrophobicContact CD2-CB 3.92Å; F462-F562 AromaticContact CD2-CD1 3.57Å; F462-F562 HydrophobicContact CD2-CD1 3.57Å; F462-F562 AromaticContact CD2-CD2 3.82Å; F462-F562 HydrophobicContact CD2-CD2 3.82Å; F462-F562 AromaticContact CD2-CE1 3.99Å; F462-F562 HydrophobicContact CD2-CE1 3.99Å; F462-F562 HydrophobicContact CD2-CE2 4.21Å; F462-F562 AromaticContact CD2-CG 3.48Å; F462-F562 HydrophobicContact CD2-CG 3.48Å; F462-F562 VanDerWaalsContact CD2-CG 3.48Å; F462-F562 HydrophobicContact CD2-CZ 4.29Å; F462-F562 HydrophobicContact CE2-CB 3.91Å; F462-F562 HydrophobicContact CE2-CD1 4.35Å; F462-F562 HydrophobicContact CE2-CD2 4.48Å; F462-F562 HydrophobicContact CE2-CG 4Å; F462-F562 HydrophobicContact CG-CD1 4.32Å; F462-F562 HydrophobicContact CG-CE1 4.38Å
463I85.5Confident77.1Confident59 Ų5951.8 Ų51.830%0.30324%0.24SC..Hα-helixtrans-66.3-42.1177.7-65.3165.7000111R459 L461 I465 G466 D469R459-I463 WeakPolarHBondContact O-CG1 3.35Å; R459-I463 PolarHBondContact O-N 2.79Å; L461-I463 VanDerWaalsContact C-N 3.3Å; L461-I463 PolarHBondContact O-N 3.5Å; I463-I465 PolarHBondContact O-N 3.42Å; I463-G466 PolarHBondContact O-N 3.12Å; I463-D469 HydrophobicContact CD1-CB 4Å; I463-D469 HydrophobicContact CG1-CB 3.99Å
464L85.6Confident75.6Confident127 Ų12754.7 Ų54.767%0.66525%0.252SS*.Hα-helixtrans-60.1-32.5178.3-77.1168000113E460 L461 G466E460-L464 WeakPolarHBondContact O-CB 3.45Å; E460-L464 WeakPolarHBondContact O-CG 3.09Å; E460-L464 PolarHBondContact O-N 3.24Å; L461-L464 WeakPolarHBondContact O-CB 3.47Å; L461-L464 PolarHBondContact O-N 3.17Å; L461-L464 VanDerWaalsContact O-N 3.16Å; L464-G466 PolarHBondContact O-N 2.85Å
465I86.4Confident73.8Confident11 Ų1159.6 Ų59.66%0.05628%0.275CS..THydrogen-bonded Turntrans-77.8-7.9178.8-62.7165000111.9L461 F462 I463 I523 L528 F531 F562 F569L461-I465 HydrophobicContact CD1-CD1 3.79Å; L461-I465 HydrophobicContact CD1-CG1 4.11Å; L461-I465 HydrophobicContact CD2-CD1 4.48Å; L461-I465 HydrophobicContact CG-CD1 3.73Å; L461-I465 HydrophobicContact CG-CG1 4.46Å; L461-I465 WeakPolarHBondContact O-CD1 3.46Å; L461-I465 VanDerWaalsContact O-CG1 3.26Å; L461-I465 WeakPolarHBondContact O-CG1 3.17Å; L461-I465 PolarHBondContact O-N 3.31Å; F462-I465 PolarHBondContact O-N 2.95Å; I463-I465 PolarHBondContact O-N 3.42Å; I465-I523 HydrophobicContact CG2-CD1 4.24Å; I465-I523 HydrophobicContact CG2-CG2 4.41Å; I465-L528 HydrophobicContact CG2-CD2 4.07Å; I465-F531 HydrophobicContact CB-CD2 4.39Å; I465-F531 HydrophobicContact CD1-CD1 4.5Å; I465-F531 HydrophobicContact CD1-CD2 4.46Å; I465-F531 HydrophobicContact CD1-CE1 4.05Å; I465-F531 HydrophobicContact CD1-CE2 4Å; I465-F531 HydrophobicContact CD1-CZ 3.78Å; I465-F531 HydrophobicContact CG1-CD1 4.45Å; I465-F531 HydrophobicContact CG1-CD2 3.72Å; I465-F531 HydrophobicContact CG1-CE1 4.34Å; I465-F531 HydrophobicContact CG1-CE2 3.58Å; I465-F531 HydrophobicContact CG1-CG 4.16Å; I465-F531 HydrophobicContact CG1-CZ 3.9Å; I465-F531 HydrophobicContact CG2-CB 3.95Å; I465-F531 HydrophobicContact CG2-CD1 4.1Å; I465-F531 HydrophobicContact CG2-CD2 4.12Å; I465-F531 HydrophobicContact CG2-CG 3.79Å; I465-F562 HydrophobicContact CD1-CE2 3.89Å; I465-F569 HydrophobicContact CD1-CB 4.25Å; I465-F569 HydrophobicContact CD1-CD1 3.87Å; I465-F569 HydrophobicContact CD1-CG 4.37Å
466G83.6Confident71.9Confident31 Ų3163.8 Ų63.832%0.3230%0.295SS..THydrogen-bonded Turntrans104.710.7-175.200000113.6I463 L464 L468I463-G466 PolarHBondContact O-N 3.12Å; L464-G466 PolarHBondContact O-N 2.85Å; G466-L468 PolarHBondContact O-N 2.67Å
467G84.5Confident69.9Low1 Ų161.5 Ų61.51%0.0130%0.297CS..  trans-66.5125.9175.600000112.1F462 D469 I523F462-G467 VanDerWaalsContact O-CA 3.24Å; F462-G467 WeakPolarHBondContact O-CA 3.45Å; F462-G467 PolarHBondContact O-N 2.65Å; G467-D469 PolarHBondContact O-N 3.18Å; G467-D469 VanDerWaalsContact O-N 3.16Å; G467-I523 VanDerWaalsContact CA-CG1 3.41Å
468L74.3Confident67.6Low40 Ų4067.7 Ų67.721%0.20932%0.32CS..BIsolated β-bridgetrans-8097.9172.7-67.4171.8000108.7G466 G521 H522G466-L468 PolarHBondContact O-N 2.67Å; L468-G521 WeakPolarHBondContact O-CA 3.28Å; L468-H522 PolarHBondContact N-O 3.11Å
469D66.6Low64.9Low30 Ų3072.6 Ų72.616%0.1635%0.349CS..  trans-68.1145.8167.4-171.84.6000109.4I463 G467 K471 Q472 Y473I463-D469 HydrophobicContact CD1-CB 4Å; I463-D469 HydrophobicContact CG1-CB 3.99Å; G467-D469 PolarHBondContact O-N 3.18Å; G467-D469 VanDerWaalsContact O-N 3.16Å; D469-K471 PolarHBondContact O-N 2.64Å; D469-K471 VanDerWaalsContact O-N 3.1Å; D469-Q472 WeakPolarHBondContact O-CA 3.24Å; D469-Q472 PolarHBondContact O-N 2.89Å; D469-Y473 PolarHBondContact O-N 3.37Å
470R57.7Low62.5Low83 Ų8379 Ų7931%0.31338%0.379SS..Hα-helixtrans-48.6-40.6177.3-177.6178.4174.6-166.80.2111.6Q472 Y473 F474R470-Q472 VanDerWaalsContact C-N 3.32Å; R470-Q472 PolarHBondContact O-N 3.31Å; R470-Y473 PolarHBondContact O-N 3.33Å; R470-F474 HydrophobicContact CG-CD2 3.47Å; R470-F474 VanDerWaalsContact CG-CD2 3.47Å; R470-F474 HydrophobicContact CG-CE2 3.54Å; R470-F474 WeakPolarHBondContact O-CD2 3.41Å; R470-F474 PolarHBondContact O-N 3.21Å
471K55.3Low59.8Low147 Ų14782.9 Ų82.964%0.63940%0.397SS*.Hα-helixtrans-60.4-42.4179.6-166.2174.9-176.7177.40111.8D469 Q475D469-K471 PolarHBondContact O-N 2.64Å; D469-K471 VanDerWaalsContact O-N 3.1Å; K471-Q475 WeakPolarHBondContact O-CB 3.19Å; K471-Q475 WeakPolarHBondContact O-CG 3.42Å; K471-Q475 PolarHBondContact O-N 2.92Å
472Q52Low57.2Low69 Ų6987.7 Ų87.732%0.32243%0.429SS..Hα-helixtrans-70.2-40.9173.9-74.8-173.8-500111.6D469 R470 F474 Q475 Q476D469-Q472 WeakPolarHBondContact O-CA 3.24Å; D469-Q472 PolarHBondContact O-N 2.89Å; R470-Q472 VanDerWaalsContact C-N 3.32Å; R470-Q472 PolarHBondContact O-N 3.31Å; Q472-F474 VanDerWaalsContact C-N 3.35Å; Q472-F474 PolarHBondContact O-N 2.97Å; Q472-Q475 PolarHBondContact O-N 3.36Å; Q472-Q476 WeakPolarHBondContact O-CB 3.48Å; Q472-Q476 VanDerWaalsContact O-CG 3.29Å; Q472-Q476 WeakPolarHBondContact O-CG 3.26Å; Q472-Q476 PolarHBondContact O-N 3.43Å
473Y48.8Very low54.5Low105 Ų10595.4 Ų95.441%0.41247%0.469SS..Hα-helixtrans-60.1-44.5177.9-166-86.1000111.9D469 R470 S477D469-Y473 PolarHBondContact O-N 3.37Å; R470-Y473 PolarHBondContact O-N 3.33Å; Y473-S477 VanDerWaalsContact O-CB 3.25Å; Y473-S477 WeakPolarHBondContact O-CB 3.49Å; Y473-S477 PolarHBondContact O-N 2.89Å; Y473-S477 PolarHBondContact O-OG 3.34Å
474F46.9Very low51.7Low105 Ų10599.5 Ų99.546%0.46149%0.49SS..Hα-helixtrans-66.3-41.4174.8-87.6-89.7000111.5R470 Q472 S477 Y478R470-F474 HydrophobicContact CG-CD2 3.47Å; R470-F474 VanDerWaalsContact CG-CD2 3.47Å; R470-F474 HydrophobicContact CG-CE2 3.54Å; R470-F474 WeakPolarHBondContact O-CD2 3.41Å; R470-F474 PolarHBondContact O-N 3.21Å; Q472-F474 VanDerWaalsContact C-N 3.35Å; Q472-F474 PolarHBondContact O-N 2.97Å; F474-S477 PolarHBondContact O-N 3.27Å; F474-Y478 WeakPolarHBondContact O-CD2 3.37Å; F474-Y478 PolarHBondContact O-N 2.91Å
475Q44.9Very low49.1Very low112 Ų112102 Ų10252%0.52350%0.495SS..Hα-helixtrans-63.8-48.2176.3-75.7174.2-23.300111.9K471 Q472 S477 Y478 V479K471-Q475 WeakPolarHBondContact O-CB 3.19Å; K471-Q475 WeakPolarHBondContact O-CG 3.42Å; K471-Q475 PolarHBondContact O-N 2.92Å; Q472-Q475 PolarHBondContact O-N 3.36Å; Q475-S477 VanDerWaalsContact C-N 3.32Å; Q475-S477 PolarHBondContact O-N 3.37Å; Q475-Y478 PolarHBondContact O-N 3.5Å; Q475-Y478 VanDerWaalsContact O-N 3.1Å; Q475-V479 WeakPolarHBondContact O-CG2 3.26Å; Q475-V479 PolarHBondContact O-N 3.09Å
476Q42.3Very low46.3Very low92 Ų92109.3 Ų109.343%0.4353%0.534SS..Hα-helixtrans-62.9-38.1177.8-71.21740.300112Q472 Y478 V479 F480Q472-Q476 WeakPolarHBondContact O-CB 3.48Å; Q472-Q476 VanDerWaalsContact O-CG 3.29Å; Q472-Q476 WeakPolarHBondContact O-CG 3.26Å; Q472-Q476 PolarHBondContact O-N 3.43Å; Q476-Y478 PolarHBondContact O-N 3.23Å; Q476-V479 PolarHBondContact O-N 3.3Å; Q476-F480 WeakPolarHBondContact O-CD2 3.2Å
477S40.5Very low43.6Very low70 Ų70118.6 Ų118.649%0.4956%0.559SS.*Hα-helixtrans-63.2-25.2175.7-61.50000113.3Y473 F474 Q475Y473-S477 VanDerWaalsContact O-CB 3.25Å; Y473-S477 WeakPolarHBondContact O-CB 3.49Å; Y473-S477 PolarHBondContact O-N 2.89Å; Y473-S477 PolarHBondContact O-OG 3.34Å; F474-S477 PolarHBondContact O-N 3.27Å; Q475-S477 VanDerWaalsContact C-N 3.32Å; Q475-S477 PolarHBondContact O-N 3.37Å
478Y35.1Very low41Very low202 Ų202123.2 Ų123.279%0.79259%0.591SS**Hα-helixtrans-96-15.1175.3-85.4-78000113.8F474 Q475 Q476F474-Y478 WeakPolarHBondContact O-CD2 3.37Å; F474-Y478 PolarHBondContact O-N 2.91Å; Q475-Y478 PolarHBondContact O-N 3.5Å; Q475-Y478 VanDerWaalsContact O-N 3.1Å; Q476-Y478 PolarHBondContact O-N 3.23Å
479V30.5Very low38.9Very low102 Ų102128.2 Ų128.262%0.61862%0.618SS**Hα-helixtrans-95.57.6-177.1179.20000112.6Q475 Q476 E481Q475-V479 WeakPolarHBondContact O-CG2 3.26Å; Q475-V479 PolarHBondContact O-N 3.09Å; Q476-V479 PolarHBondContact O-N 3.3Å; V479-E481 VanDerWaalsContact C-N 3.34Å; V479-E481 PolarHBondContact O-N 2.93Å
480F30.8Very low37.3Very low186 Ų186135.9 Ų135.982%0.81665%0.653SS**  trans-7197.4167-86.4-76.8000111.4Q476Q476-F480 WeakPolarHBondContact O-CD2 3.2Å
481E28Very low36Very low151 Ų151137.6 Ų137.671%0.70667%0.673SS**  trans-36.7148.3-176.6-64.1173.5149.800116.5V479 I483V479-E481 VanDerWaalsContact C-N 3.34Å; V479-E481 PolarHBondContact O-N 2.93Å; E481-I483 PolarHBondContact O-N 2.83Å
482P33.6Very low34.8Very low117 Ų117136.5 Ų136.576%0.7668%0.679SS**  trans-65.4103.5169.229.1-29.9000106.9I484P482-I484 PolarHBondContact O-N 2.73Å
483I30.7Very low33.7Very low164 Ų164139.5 Ų139.584%0.84170%0.697SS**  trans-62.193.1178-60.1174.3000107.5E481 K485E481-I483 PolarHBondContact O-N 2.83Å; I483-K485 PolarHBondContact O-N 2.99Å
484I28.4Very low32.9Very low145 Ų145142 Ų14274%0.74472%0.718SS**  trans-64.2105.9166.2-65.8173.3000105.3P482 L486P482-I484 PolarHBondContact O-N 2.73Å; I484-L486 PolarHBondContact O-N 3.43Å
485K30Very low32Very low180 Ų180145.1 Ų145.178%0.78374%0.738SS**  trans-16.589.7161.3-68.2172.1175.61730113.5I483 R487I483-K485 PolarHBondContact O-N 2.99Å; K485-R487 PolarHBondContact O-N 2.93Å
486L27.1Very low31.4Very low164 Ų164146.7 Ų146.786%0.85975%0.75SS**  trans-84.981.6151.1-87.6155000106.5I484 S488I484-L486 PolarHBondContact O-N 3.43Å; L486-S488 PolarHBondContact O-N 3.48Å
487R28.6Very low31.2Very low225 Ų225147.9 Ų147.985%0.84977%0.766SS**  trans-63.483.4158.2-92.1-174.3174.7-177.8-2.1106.9K485 N489K485-R487 PolarHBondContact O-N 2.93Å; R487-N489 PolarHBondContact O-N 3.02Å
488S28.7Very low30.9Very low99 Ų99151.2 Ų151.269%0.69278%0.778SS**  trans-8987.5159.753.90000107.6L486 E490L486-S488 PolarHBondContact O-N 3.48Å; S488-E490 PolarHBondContact O-N 3.26Å; S488-E490 VanDerWaalsContact O-N 3.13Å
489N30.5Very low30.7Very low145 Ų145149.2 Ų149.278%0.77578%0.781SS**  trans26.674.6143.4-58.4-16.1000117R487R487-N489 PolarHBondContact O-N 3.02Å
490E33.1Very low30.7Very low190 Ų190147.9 Ų147.989%0.88879%0.788SS**  trans-118.588152.1-75.5-171.7169.200108.9S488 T492S488-E490 PolarHBondContact O-N 3.26Å; S488-E490 VanDerWaalsContact O-N 3.13Å; E490-T492 PolarHBondContact O-N 3.06Å; E490-T492 VanDerWaalsContact O-N 3.16Å
491T29.5Very low30.8Very low119 Ų119145.3 Ų145.373%0.7378%0.783SS**  trans-62.396.3170-46.10000109.5
492T29.8Very low31.2Very low124 Ų124143.6 Ų143.676%0.76179%0.785SS**  trans-14890.7150.943.20000110.9E490E490-T492 PolarHBondContact O-N 3.06Å; E490-T492 VanDerWaalsContact O-N 3.16Å
493N30.4Very low31.4Very low133 Ų133141.5 Ų141.571%0.71178%0.777SS**  trans43.6122.2130.8-56.9-17.9000119.4
494N31Very low31.6Very low158 Ų158139.3 Ų139.385%0.84578%0.777SS**  trans77.667.2153-60.4-18.5000117.3
495L29.4Very low31.7Very low170 Ų170137.3 Ų137.389%0.8978%0.776SS**  trans-121.5103149.5-81.4155.6000108.6
496N30.9Very low31.8Very low145 Ų145135 Ų13578%0.77577%0.771SS**  trans-59.5123.8171.8-153.41000107.8N498N496-N498 PolarHBondContact O-N 3.17Å
497P37.9Very low31.8Very low116 Ų116132 Ų13275%0.75376%0.762SS**THydrogen-bonded Turntrans-77.312.4-157.4-16.131.4000117.1
498N35.2Very low31.6Very low140 Ų140130.5 Ų130.575%0.74976%0.762SS**THydrogen-bonded Turntrans-117.3-0.3-165-75.5-9.6000116.4N496N496-N498 PolarHBondContact O-N 3.17Å
499D30.8Very low31.5Very low161 Ų161136.2 Ų136.286%0.86177%0.77SS**SBendtrans-136.1110.9179.6-71.2-47.7000110.7
500G30.1Very low31.5Very low74 Ų74134.4 Ų134.476%0.76376%0.76SS**  trans142.882.7168.300000113.6
501D33.8Very low31.5Very low132 Ų132133 Ų13371%0.70675%0.751SS**  trans-37.3119.8167.1-158.9-10.1000111.8A503D501-A503 PolarHBondContact O-N 3.38Å
502P35.3Very low31.5Very low114 Ų114131.3 Ų131.374%0.7474%0.744SS**G310 helixtrans-71.615.8-171.829.3-35.3000114.1S504P502-S504 VanDerWaalsContact C-N 3.31Å; P502-S504 PolarHBondContact O-N 2.96Å
503A38.7Very low31.7Very low74 Ų74129.4 Ų129.461%0.61273%0.732SS**G310 helixtrans-74.2-15.5-179.500000114D501D501-A503 PolarHBondContact O-N 3.38Å
504S33.9Very low31.7Very low118 Ų118129.9 Ų129.983%0.82573%0.728SS**G310 helixtrans-100.64.6-168.167.60000116.8P502P502-S504 VanDerWaalsContact C-N 3.31Å; P502-S504 PolarHBondContact O-N 2.96Å
505S30.7Very low32Very low103 Ų103128.2 Ų128.272%0.7272%0.715SS**  trans-123.121.1177.5-168.50000114.8C507S505-C507 PolarHBondContact O-N 3.47Å
506I32.2Very low32.5Very low132 Ų132128.9 Ų128.968%0.67771%0.711SS**  trans-76.695169.8-59.3174.4000107.7F508I506-F508 PolarHBondContact O-N 3.41Å; I506-F508 VanDerWaalsContact O-N 3.11Å
507C27Very low33.1Very low101 Ų101125.3 Ų125.368%0.68270%0.698SS**  trans-50.8117.6167.2-70.40000109.2S505 Y509S505-C507 PolarHBondContact O-N 3.47Å; C507-Y509 PolarHBondContact O-N 2.9Å
508F25Very low33.8Very low193 Ų193121.7 Ų121.785%0.84667%0.672SS**  trans-60.690.6-178.3-75.6-100.3000111.4I506 N510I506-F508 PolarHBondContact O-N 3.41Å; I506-F508 VanDerWaalsContact O-N 3.11Å; F508-N510 PolarHBondContact O-N 3.26Å
509Y27Very low34.7Very low219 Ų219116.7 Ų116.786%0.85965%0.647SS**  trans-74.6109.2149.9-78.7-77.1000107.3C507 K511C507-Y509 PolarHBondContact O-N 2.9Å; Y509-K511 VanDerWaalsContact C-N 3.28Å; Y509-K511 PolarHBondContact O-N 3.34Å
510N29.2Very low36.1Very low106 Ų106110 Ų11057%0.56761%0.61SS**  trans-68.781.8-171.1-138.6-8.7000110.1F508 S512 T513F508-N510 PolarHBondContact O-N 3.26Å; N510-S512 PolarHBondContact O-N 3.06Å; N510-S512 PolarHBondContact OD1-OG 2.61Å; N510-S512 VanDerWaalsContact OD1-OG 3.09Å; N510-T513 PolarHBondContact O-OG1 3.16Å
511K33.7Very low38.1Very low161 Ų161106.8 Ų106.870%0.758%0.577SS**Hα-helixtrans-59.8-12.4179.7-155.1173.1-173.7175.10113.3Y509Y509-K511 VanDerWaalsContact C-N 3.28Å; Y509-K511 PolarHBondContact O-N 3.34Å
512S30.5Very low40.6Very low83 Ų83102.1 Ų102.158%0.5855%0.551SS**Hα-helixtrans-83.5-27.1-171.660.80000114.8N510N510-S512 PolarHBondContact O-N 3.06Å; N510-S512 PolarHBondContact OD1-OG 2.61Å; N510-S512 VanDerWaalsContact OD1-OG 3.09Å
513T32.7Very low43Very low84 Ų8496.7 Ų96.752%0.51552%0.516SS..Hα-helixtrans-83.3-35.7-172.8310000113.9N510N510-T513 PolarHBondContact O-OG1 3.16Å
514F31.5Very low45.3Very low143 Ų14396.4 Ų96.463%0.62750%0.502SS*.Hα-helixtrans-98.2-18-171.4-76-81.6000115.4K516F514-K516 PolarHBondContact O-N 2.69Å
515Q36.7Very low47.9Very low123 Ų12391.8 Ų91.858%0.57547%0.469SS*.THydrogen-bonded Turntrans-70.7-16.2-178.5-82.9-169.3-18.100114.4
516K39.9Very low50.6Low184 Ų18492.6 Ų92.680%0.846%0.459SS*.THydrogen-bonded Turntrans-104.1-26.8-175.9-78.9-173.5175.5-177.50115.5F514F514-K516 PolarHBondContact O-N 2.69Å
517S43.6Very low53.2Low71 Ų7188.8 Ų88.850%0.49744%0.44SS..THydrogen-bonded Turntrans-87.5-35.2-165.564.90000115P519S517-P519 VanDerWaalsContact C-CD 3.46Å; S517-P519 WeakPolarHBondContact O-CD 3.38Å
518N51.9Low56.2Low39 Ų3984 Ų8421%0.20941%0.408CS..  trans-120.872.5-172.1-73.121.6000111.9F520 G521N518-F520 PolarHBondContact O-N 2.9Å; N518-G521 PolarHBondContact O-N 3.07Å
519P53.8Low59.3Low35 Ų3577.8 Ų77.823%0.22738%0.381CS..THydrogen-bonded Turntrans-62-17.6-175.823.8-33.7000114.8W415 S517W415-P519 HydrophobicContact CD2-CB 4.3Å; W415-P519 HydrophobicContact CE3-CB 3.59Å; W415-P519 HydrophobicContact CE3-CG 4.36Å; W415-P519 HydrophobicContact CH2-CB 4.02Å; W415-P519 HydrophobicContact CZ3-CB 3.45Å; W415-P519 VanDerWaalsContact CZ3-CB 3.45Å; W415-P519 HydrophobicContact CZ3-CG 4.23Å; S517-P519 VanDerWaalsContact C-CD 3.46Å; S517-P519 WeakPolarHBondContact O-CD 3.38Å
520F60.5Low62.1Low20 Ų2071.3 Ų71.39%0.08836%0.364CS..THydrogen-bonded Turntrans-105.24.9-169.8-50.5-54.1000114.2I411 F412 L421 N518 F559 V560I411-F520 HydrophobicContact CG2-CD1 3.68Å; I411-F520 HydrophobicContact CG2-CE1 4.13Å; F412-F520 AromaticContact CD1-CE1 3.73Å; F412-F520 HydrophobicContact CD1-CE1 3.73Å; F412-F520 HydrophobicContact CD1-CZ 4.44Å; F412-F520 AromaticContact CE1-CD1 3.99Å; F412-F520 HydrophobicContact CE1-CD1 3.99Å; F412-F520 AromaticContact CE1-CE1 3.42Å; F412-F520 HydrophobicContact CE1-CE1 3.42Å; F412-F520 VanDerWaalsContact CE1-CE1 3.42Å; F412-F520 HydrophobicContact CE1-CZ 4.05Å; L421-F520 HydrophobicContact CD2-CE1 4Å; L421-F520 HydrophobicContact CD2-CE2 3.94Å; L421-F520 HydrophobicContact CD2-CZ 3.51Å; N518-F520 PolarHBondContact O-N 2.9Å; F520-F559 HydrophobicContact CB-CB 3.59Å; F520-F559 HydrophobicContact CB-CD1 4.14Å; F520-F559 HydrophobicContact CB-CG 4.26Å; F520-F559 WeakPolarHBondContact O-CB 3.3Å; F520-V560 HydrophobicContact CD2-CG2 3.79Å; F520-V560 HydrophobicContact CE2-CG2 4.11Å
521G73.6Confident65Low7 Ų767.2 Ų67.27%0.07234%0.341CS..  trans90171.1-171.500000112.7L468 N518 F559L468-G521 WeakPolarHBondContact O-CA 3.28Å; N518-G521 PolarHBondContact O-N 3.07Å; G521-F559 PolarHBondContact O-N 2.9Å
522H84.6Confident67.7Low35 Ų3559.6 Ų59.616%0.16231%0.308CS..EExtended strand (participates in β ladder)trans-151158.5-179.562.2-78.7000110.9L468 I557L468-H522 PolarHBondContact N-O 3.11Å; H522-I557 CarbonylContact C-O 3.5Å; H522-I557 VanDerWaalsContact CA-O 3.22Å; H522-I557 WeakPolarHBondContact CA-O 3.37Å; H522-I557 WeakPolarHBondContact CB-O 3.1Å
523I86.2Confident70.3Confident0 Ų056.6 Ų56.60%029%0.285CS..EExtended strand (participates in β ladder)trans-113.4133168-52.4158.5000107.4F462 I465 G467 D527 L528 T556 I557 F562F462-I523 HydrophobicContact CD2-CD1 3.47Å; F462-I523 VanDerWaalsContact CD2-CD1 3.47Å; F462-I523 HydrophobicContact CD2-CG1 3.86Å; F462-I523 HydrophobicContact CE1-CG1 4.39Å; F462-I523 HydrophobicContact CE2-CD1 3.38Å; F462-I523 HydrophobicContact CE2-CG1 3.4Å; F462-I523 VanDerWaalsContact CE2-CG1 3.4Å; F462-I523 HydrophobicContact CG-CD1 4.39Å; F462-I523 HydrophobicContact CZ-CD1 4.21Å; F462-I523 HydrophobicContact CZ-CG1 3.71Å; I465-I523 HydrophobicContact CG2-CD1 4.24Å; I465-I523 HydrophobicContact CG2-CG2 4.41Å; G467-I523 VanDerWaalsContact CA-CG1 3.41Å; I523-D527 HydrophobicContact CG2-CB 4.22Å; I523-L528 HydrophobicContact CB-CD1 4.02Å; I523-L528 HydrophobicContact CB-CG 4.17Å; I523-L528 HydrophobicContact CD1-CD2 4.22Å; I523-L528 HydrophobicContact CG2-CD1 3.92Å; I523-L528 HydrophobicContact CG2-CD2 4.18Å; I523-L528 HydrophobicContact CG2-CG 3.6Å; I523-T556 CarbonylContact O-C 3.58Å; I523-T556 VanDerWaalsContact O-CA 3.23Å; I523-T556 WeakPolarHBondContact O-CA 3.38Å; I523-I557 PolarHBondContact N-O 3.27Å; I523-I557 PolarHBondContact O-N 3.35Å; I523-F562 HydrophobicContact CD1-CD2 4.1Å
524E87.9Confident72.8Confident67 Ų6754.1 Ų54.131%0.31327%0.272SS..EExtended strand (participates in β ladder)trans-72.2142.4172.9-62.8-171-153.800111K526 D527 L528E524-K526 HydrophobicContact CB-CD 4.46Å; E524-K526 HydrophobicContact CB-CG 4.04Å; E524-K526 VanDerWaalsContact CD-NZ 3.3Å; E524-K526 PolarHBondContact O-N 2.92Å; E524-K526 VanDerWaalsContact O-N 3.12Å; E524-K526 IonicContact OE1-NZ 3.57Å; E524-K526 PolarHBondContact OE1-NZ 3.34Å; E524-K526 WeakPolarHBondContact OE2-CD 3.4Å; E524-K526 WeakPolarHBondContact OE2-CE 3.34Å; E524-K526 IonicContact OE2-NZ 3.87Å; E524-K526 PolarHBondContact OE2-NZ 2.89Å; E524-D527 PolarHBondContact O-N 2.98Å; E524-L528 PolarHBondContact O-N 2.83Å
525V87.9Confident75.4Confident22 Ų2247.3 Ų47.313%0.13324%0.243CC..Hα-helixtrans-56.3-31.7178.9160.90000112.1L528 K529 I546 D550 G555V525-L528 PolarHBondContact O-N 3.33Å; V525-K529 HydrophobicContact CG1-CD 4.33Å; V525-K529 HydrophobicContact CG1-CG 4.44Å; V525-K529 VanDerWaalsContact O-CG 3.31Å; V525-K529 WeakPolarHBondContact O-CG 3.31Å; V525-K529 PolarHBondContact O-N 3.22Å; V525-I546 HydrophobicContact CG1-CD1 4.04Å; V525-I546 HydrophobicContact CG1-CG1 4.22Å; V525-I546 HydrophobicContact CG1-CG2 3.56Å; V525-I546 HydrophobicContact CG2-CD1 4.48Å; V525-I546 HydrophobicContact CG2-CG2 4.09Å; V525-D550 HydrophobicContact CG2-CB 4.32Å; V525-G555 WeakPolarHBondContact CB-O 3.43Å; V525-G555 VanDerWaalsContact CG2-C 3.42Å; V525-G555 WeakPolarHBondContact CG2-O 3.47Å; V525-G555 PolarHBondContact N-O 3.12Å
526K86.7Confident77.7Confident119 Ų11943.5 Ų43.552%0.51723%0.226SC..Hα-helixtrans-62.7-42177.875.2-169.4-172.4-156.10111.9E524 K529 V530E524-K526 HydrophobicContact CB-CD 4.46Å; E524-K526 HydrophobicContact CB-CG 4.04Å; E524-K526 VanDerWaalsContact CD-NZ 3.3Å; E524-K526 PolarHBondContact O-N 2.92Å; E524-K526 VanDerWaalsContact O-N 3.12Å; E524-K526 IonicContact OE1-NZ 3.57Å; E524-K526 PolarHBondContact OE1-NZ 3.34Å; E524-K526 WeakPolarHBondContact OE2-CD 3.4Å; E524-K526 WeakPolarHBondContact OE2-CE 3.34Å; E524-K526 IonicContact OE2-NZ 3.87Å; E524-K526 PolarHBondContact OE2-NZ 2.89Å; K526-K529 PolarHBondContact O-N 3.38Å; K526-V530 PolarHBondContact O-N 2.99Å
527D87.6Confident79.9Confident52 Ų5234.9 Ų34.928%0.27819%0.189SC..Hα-helixtrans-73.2-37.4-178.4-57.7-41.3000110.1I523 E524 K529 V530 F531I523-D527 HydrophobicContact CG2-CB 4.22Å; E524-D527 PolarHBondContact O-N 2.98Å; D527-K529 VanDerWaalsContact C-N 3.35Å; D527-K529 PolarHBondContact O-N 3.22Å; D527-V530 PolarHBondContact O-N 3.45Å; D527-F531 PolarHBondContact O-N 2.83Å
528L90Very high81.8Confident0 Ų032.8 Ų32.80%018%0.175CC..Hα-helixtrans-61-40.6171.9-75.1154.2000112.8I465 I523 E524 V525 F531 F532 I546 I557 F569I465-L528 HydrophobicContact CG2-CD2 4.07Å; I523-L528 HydrophobicContact CB-CD1 4.02Å; I523-L528 HydrophobicContact CB-CG 4.17Å; I523-L528 HydrophobicContact CD1-CD2 4.22Å; I523-L528 HydrophobicContact CG2-CD1 3.92Å; I523-L528 HydrophobicContact CG2-CD2 4.18Å; I523-L528 HydrophobicContact CG2-CG 3.6Å; E524-L528 PolarHBondContact O-N 2.83Å; V525-L528 PolarHBondContact O-N 3.33Å; L528-F531 WeakPolarHBondContact O-CB 3.38Å; L528-F531 PolarHBondContact O-N 3.44Å; L528-F532 HydrophobicContact CB-CD2 4.44Å; L528-F532 HydrophobicContact CB-CE2 4.01Å; L528-F532 HydrophobicContact CD2-CE2 4.21Å; L528-F532 HydrophobicContact CD2-CZ 4.02Å; L528-F532 WeakPolarHBondContact O-CD2 3.23Å; L528-F532 VanDerWaalsContact O-CG 3.3Å; L528-F532 WeakPolarHBondContact O-CG 3.46Å; L528-F532 PolarHBondContact O-N 3.39Å; L528-I546 HydrophobicContact CB-CD1 3.91Å; L528-I557 HydrophobicContact CD1-CB 4.1Å; L528-I557 HydrophobicContact CD1-CD1 3.31Å; L528-I557 HydrophobicContact CD1-CG1 3.63Å; L528-I557 HydrophobicContact CD2-CD1 4.26Å; L528-I557 HydrophobicContact CG-CD1 4.38Å; L528-F569 HydrophobicContact CD2-CE1 3.65Å; L528-F569 HydrophobicContact CD2-CZ 4.24Å
529K89Confident83.3Confident64 Ų6437.8 Ų37.828%0.27820%0.197SC..Hα-helixtrans-60-47.2175.9-75.8179.6172.8-164.60111V525 K526 D527 F531 F532 H533 V542 I546V525-K529 HydrophobicContact CG1-CD 4.33Å; V525-K529 HydrophobicContact CG1-CG 4.44Å; V525-K529 VanDerWaalsContact O-CG 3.31Å; V525-K529 WeakPolarHBondContact O-CG 3.31Å; V525-K529 PolarHBondContact O-N 3.22Å; K526-K529 PolarHBondContact O-N 3.38Å; D527-K529 VanDerWaalsContact C-N 3.35Å; D527-K529 PolarHBondContact O-N 3.22Å; K529-F531 VanDerWaalsContact C-N 3.31Å; K529-F531 PolarHBondContact O-N 3.22Å; K529-F532 PolarHBondContact O-N 3Å; K529-H533 WeakPolarHBondContact O-CB 3.31Å; K529-H533 PolarHBondContact O-CD2 3.29Å; K529-H533 VanDerWaalsContact O-CG 3.3Å; K529-H533 PolarHBondContact O-N 3.48Å; K529-V542 HydrophobicContact CB-CG1 4.18Å; K529-V542 HydrophobicContact CG-CG1 3.76Å; K529-I546 HydrophobicContact CG-CD1 4.44Å; K529-I546 HydrophobicContact CG-CG1 4.12Å
530V87.2Confident84.7Confident82 Ų8240.6 Ų40.650%0.49721%0.213SC..Hα-helixtrans-57.9-46.4176.1176.20000110.5K526 D527 F532 H533 A534 V589K526-V530 PolarHBondContact O-N 2.99Å; D527-V530 PolarHBondContact O-N 3.45Å; V530-F532 PolarHBondContact O-N 2.97Å; V530-H533 PolarHBondContact O-N 3.22Å; V530-A534 WeakPolarHBondContact O-CB 3.32Å; V530-A534 PolarHBondContact O-N 2.91Å; V530-V589 HydrophobicContact CG2-CG1 4.28Å
531F89.6Confident85.9Confident21 Ų2141.2 Ų41.29%0.09222%0.216CC..Hα-helixtrans-58.8-47.2177.3175.9-102.8000112.8I465 D527 L528 K529 A534 A535 F569 S572 H573 I576I465-F531 HydrophobicContact CB-CD2 4.39Å; I465-F531 HydrophobicContact CD1-CD1 4.5Å; I465-F531 HydrophobicContact CD1-CD2 4.46Å; I465-F531 HydrophobicContact CD1-CE1 4.05Å; I465-F531 HydrophobicContact CD1-CE2 4Å; I465-F531 HydrophobicContact CD1-CZ 3.78Å; I465-F531 HydrophobicContact CG1-CD1 4.45Å; I465-F531 HydrophobicContact CG1-CD2 3.72Å; I465-F531 HydrophobicContact CG1-CE1 4.34Å; I465-F531 HydrophobicContact CG1-CE2 3.58Å; I465-F531 HydrophobicContact CG1-CG 4.16Å; I465-F531 HydrophobicContact CG1-CZ 3.9Å; I465-F531 HydrophobicContact CG2-CB 3.95Å; I465-F531 HydrophobicContact CG2-CD1 4.1Å; I465-F531 HydrophobicContact CG2-CD2 4.12Å; I465-F531 HydrophobicContact CG2-CG 3.79Å; D527-F531 PolarHBondContact O-N 2.83Å; L528-F531 WeakPolarHBondContact O-CB 3.38Å; L528-F531 PolarHBondContact O-N 3.44Å; K529-F531 VanDerWaalsContact C-N 3.31Å; K529-F531 PolarHBondContact O-N 3.22Å; F531-A534 WeakPolarHBondContact O-CB 3.41Å; F531-A534 PolarHBondContact O-N 3.06Å; F531-A535 PolarHBondContact O-N 2.74Å; F531-F569 AromaticContact CE1-CD1 3.97Å; F531-F569 HydrophobicContact CE1-CD1 3.97Å; F531-S572 VanDerWaalsContact CE1-CB 3.41Å; F531-H573 HydrophobicContact CE2-CB 4.33Å; F531-H573 HydrophobicContact CZ-CB 4.15Å; F531-I576 HydrophobicContact CD2-CD1 3.53Å; F531-I576 HydrophobicContact CE2-CD1 3.35Å; F531-I576 HydrophobicContact CG-CD1 4.38Å; F531-I576 HydrophobicContact CZ-CD1 4.09Å
532F89.7Confident86.6Confident0 Ų041 Ų410%021%0.213CC..Hα-helixtrans-69.3-35.3179.6-63.6-40.8000113.1L528 K529 V530 A534 A535 N536 I537 V542 I546 L549 F568 F569L528-F532 HydrophobicContact CB-CD2 4.44Å; L528-F532 HydrophobicContact CB-CE2 4.01Å; L528-F532 HydrophobicContact CD2-CE2 4.21Å; L528-F532 HydrophobicContact CD2-CZ 4.02Å; L528-F532 WeakPolarHBondContact O-CD2 3.23Å; L528-F532 VanDerWaalsContact O-CG 3.3Å; L528-F532 WeakPolarHBondContact O-CG 3.46Å; L528-F532 PolarHBondContact O-N 3.39Å; K529-F532 PolarHBondContact O-N 3Å; V530-F532 PolarHBondContact O-N 2.97Å; F532-A534 VanDerWaalsContact C-N 3.33Å; F532-A535 CarbonylContact O-C 3.57Å; F532-A535 WeakPolarHBondContact O-CB 3.22Å; F532-A535 PolarHBondContact O-N 3.04Å; F532-N536 PolarHBondContact O-N 3.38Å; F532-I537 HydrophobicContact CB-CB 4.43Å; F532-I537 HydrophobicContact CB-CD1 3.92Å; F532-I537 HydrophobicContact CD1-CD1 3.95Å; F532-I537 HydrophobicContact CG-CD1 4.2Å; F532-I537 WeakPolarHBondContact O-CB 3.38Å; F532-I537 PolarHBondContact O-N 3.06Å; F532-I537 VanDerWaalsContact O-N 3.14Å; F532-V542 HydrophobicContact CB-CG1 4.34Å; F532-V542 HydrophobicContact CB-CG2 3.68Å; F532-V542 HydrophobicContact CD2-CG1 4.39Å; F532-I546 HydrophobicContact CD2-CD1 4.3Å; F532-I546 HydrophobicContact CE2-CD1 3.92Å; F532-L549 HydrophobicContact CE2-CD1 4.25Å; F532-L549 HydrophobicContact CZ-CD1 3.96Å; F532-F568 HydrophobicContact CD1-CE1 4.19Å; F532-F568 AromaticContact CD1-CZ 3.86Å; F532-F568 HydrophobicContact CD1-CZ 3.86Å; F532-F568 HydrophobicContact CE1-CD1 4.36Å; F532-F568 AromaticContact CE1-CE1 3.26Å; F532-F568 HydrophobicContact CE1-CE1 3.26Å; F532-F568 AromaticContact CE1-CZ 3.4Å; F532-F568 HydrophobicContact CE1-CZ 3.4Å; F532-F568 AromaticContact CZ-CE1 3.52Å; F532-F568 HydrophobicContact CZ-CE1 3.52Å; F532-F568 AromaticContact CZ-CZ 3.99Å; F532-F568 HydrophobicContact CZ-CZ 3.99Å; F532-F569 HydrophobicContact CE1-CD1 4.31Å; F532-F569 HydrophobicContact CE1-CE1 4.01Å; F532-F569 AromaticContact CZ-CE1 3.76Å; F532-F569 HydrophobicContact CZ-CE1 3.76Å; F532-F569 HydrophobicContact CZ-CZ 4.4Å
533H86.5Confident86.7Confident21 Ų2143.8 Ų43.810%0.09723%0.226CC..Hα-helixtrans-64.6-39.2172.2-71.8-49.4000111.9K529 V530 A535 N536K529-H533 WeakPolarHBondContact O-CB 3.31Å; K529-H533 PolarHBondContact O-CD2 3.29Å; K529-H533 VanDerWaalsContact O-CG 3.3Å; K529-H533 PolarHBondContact O-N 3.48Å; V530-H533 PolarHBondContact O-N 3.22Å; H533-A535 PolarHBondContact O-N 3.15Å; H533-N536 PolarHBondContact O-N 3.26Å
534A85Confident86.6Confident31 Ų3148.1 Ų48.126%0.25625%0.246SC..Hα-helixtrans-62.8-33.5172.700000111.9V530 F531 F532 N536 I576V530-A534 WeakPolarHBondContact O-CB 3.32Å; V530-A534 PolarHBondContact O-N 2.91Å; F531-A534 WeakPolarHBondContact O-CB 3.41Å; F531-A534 PolarHBondContact O-N 3.06Å; F532-A534 VanDerWaalsContact C-N 3.33Å; A534-N536 PolarHBondContact O-N 2.86Å; A534-N536 VanDerWaalsContact O-N 3.15Å; A534-I576 HydrophobicContact CB-CD1 3.97Å; A534-I576 HydrophobicContact CB-CG1 3.98Å
535A85.9Confident86.6Confident1 Ų144.9 Ų44.91%0.00823%0.231CC..THydrogen-bonded Turntrans-74.710173.500000114.1F531 F532 H533 I537 H575 I576F531-A535 PolarHBondContact O-N 2.74Å; F532-A535 CarbonylContact O-C 3.57Å; F532-A535 WeakPolarHBondContact O-CB 3.22Å; F532-A535 PolarHBondContact O-N 3.04Å; H533-A535 PolarHBondContact O-N 3.15Å; A535-I537 VanDerWaalsContact C-N 3.27Å; A535-I537 HydrophobicContact CB-CD1 4.33Å; A535-I537 HydrophobicContact CB-CG1 4.34Å; A535-I537 PolarHBondContact O-N 3.16Å; A535-H575 HydrophobicContact CB-CB 4.44Å; A535-I576 HydrophobicContact CB-CD1 4.3Å; A535-I576 HydrophobicContact CB-CG1 3.93Å
536N84.4Confident86.6Confident43 Ų4344.3 Ų44.323%0.2323%0.228CC..THydrogen-bonded Turntrans61.530.4179.8-162.138.8000113.8F532 H533 A534 N583F532-N536 PolarHBondContact O-N 3.38Å; H533-N536 PolarHBondContact O-N 3.26Å; A534-N536 PolarHBondContact O-N 2.86Å; A534-N536 VanDerWaalsContact O-N 3.15Å; N536-N583 PolarHBondContact OD1-ND2 2.97Å; N536-N583 VanDerWaalsContact OD1-ND2 3.08Å
537I85.3Confident86.5Confident2 Ų242.4 Ų42.41%0.0123%0.226CC..  trans-81.7134.9171.9-59.2172000108.9W6 P8 F532 A535 H541 V542 L545 F568W6-I537 HydrophobicContact CE3-CD1 4.06Å; W6-I537 HydrophobicContact CE3-CG1 3.9Å; W6-I537 HydrophobicContact CZ3-CD1 3.77Å; W6-I537 HydrophobicContact CZ3-CG1 4.13Å; P8-I537 HydrophobicContact CG-CD1 4.07Å; F532-I537 HydrophobicContact CB-CB 4.43Å; F532-I537 HydrophobicContact CB-CD1 3.92Å; F532-I537 HydrophobicContact CD1-CD1 3.95Å; F532-I537 HydrophobicContact CG-CD1 4.2Å; F532-I537 WeakPolarHBondContact O-CB 3.38Å; F532-I537 PolarHBondContact O-N 3.06Å; F532-I537 VanDerWaalsContact O-N 3.14Å; A535-I537 VanDerWaalsContact C-N 3.27Å; A535-I537 HydrophobicContact CB-CD1 4.33Å; A535-I537 HydrophobicContact CB-CG1 4.34Å; A535-I537 PolarHBondContact O-N 3.16Å; I537-H541 HydrophobicContact CG2-CB 3.55Å; I537-V542 HydrophobicContact CB-CG2 3.95Å; I537-V542 HydrophobicContact CG2-CG2 3.72Å; I537-L545 HydrophobicContact CD1-CD1 3.92Å; I537-L545 HydrophobicContact CG2-CD1 3.92Å; I537-F568 HydrophobicContact CD1-CE2 4.34Å; I537-F568 HydrophobicContact CD1-CZ 4.22Å
538S83.9Confident86.3Confident28 Ų2841.7 Ų41.720%0.19623%0.225CC..  trans-63.5152.3179.786.60000111.5V540 H541 V542S538-V540 VanDerWaalsContact C-N 3.29Å; S538-V540 PolarHBondContact O-N 3.3Å; S538-H541 PolarHBondContact O-N 3.39Å; S538-H541 WeakPolarHBondContact OG-CB 3.44Å; S538-H541 PolarHBondContact OG-N 3.26Å; S538-H541 PolarHBondContact OG-ND1 2.93Å; S538-H541 VanDerWaalsContact OG-ND1 3.15Å; S538-V542 WeakPolarHBondContact O-CG2 3.25Å; S538-V542 PolarHBondContact O-N 3.12Å
539Q84.2Confident86.1Confident144 Ų14442 Ų4267%0.67323%0.227SC*.Hα-helixtrans-62.4-34.7-177.2-174.1164.50.100114.1H541 V542 Q543Q539-H541 VanDerWaalsContact C-N 3.35Å; Q539-V542 PolarHBondContact O-N 3.02Å; Q539-Q543 PolarHBondContact O-N 3.15Å
540V83.8Confident85.8Confident93 Ų9339.8 Ų39.856%0.56422%0.218SC*.Hα-helixtrans-61.1-48.4173.2179.90000109.6S538 V542 Q543 E544S538-V540 VanDerWaalsContact C-N 3.29Å; S538-V540 PolarHBondContact O-N 3.3Å; V540-V542 PolarHBondContact O-N 2.92Å; V540-Q543 PolarHBondContact O-N 2.9Å; V540-E544 PolarHBondContact O-N 3.14Å; V540-E544 VanDerWaalsContact O-N 3.16Å
541H85.6Confident85.2Confident33 Ų3342.4 Ų42.415%0.15322%0.224CC..Hα-helixtrans-67.5-38-178.8-62.8164.7000112.4N7 I9 I537 S538 Q539 Q543 E544 L545N7-H541 PolarHBondContact ND2-CE1 3.03Å; N7-H541 PolarHBondContact ND2-NE2 3.46Å; N7-H541 PolarHBondContact OD1-ND1 3.08Å; I9-H541 HydrophobicContact CD1-CB 3.4Å; I9-H541 WeakPolarHBondContact CD1-O 3.42Å; I9-H541 HydrophobicContact CG1-CB 4.49Å; I537-H541 HydrophobicContact CG2-CB 3.55Å; S538-H541 PolarHBondContact O-N 3.39Å; S538-H541 WeakPolarHBondContact OG-CB 3.44Å; S538-H541 PolarHBondContact OG-N 3.26Å; S538-H541 PolarHBondContact OG-ND1 2.93Å; S538-H541 VanDerWaalsContact OG-ND1 3.15Å; Q539-H541 VanDerWaalsContact C-N 3.35Å; H541-Q543 VanDerWaalsContact C-N 3.26Å; H541-Q543 PolarHBondContact O-N 3.47Å; H541-E544 PolarHBondContact O-N 3.36Å; H541-L545 WeakPolarHBondContact O-CB 3.45Å; H541-L545 VanDerWaalsContact O-CG 3.31Å; H541-L545 WeakPolarHBondContact O-CG 3.34Å; H541-L545 PolarHBondContact O-N 3.49Å
542V87.3Confident84.4Confident2 Ų248.7 Ų48.71%0.01225%0.251CS..Hα-helixtrans-57.5-42.6174.6172.50000110.9K529 F532 I537 S538 Q539 V540 L545 I546K529-V542 HydrophobicContact CB-CG1 4.18Å; K529-V542 HydrophobicContact CG-CG1 3.76Å; F532-V542 HydrophobicContact CB-CG1 4.34Å; F532-V542 HydrophobicContact CB-CG2 3.68Å; F532-V542 HydrophobicContact CD2-CG1 4.39Å; I537-V542 HydrophobicContact CB-CG2 3.95Å; I537-V542 HydrophobicContact CG2-CG2 3.72Å; S538-V542 WeakPolarHBondContact O-CG2 3.25Å; S538-V542 PolarHBondContact O-N 3.12Å; Q539-V542 PolarHBondContact O-N 3.02Å; V540-V542 PolarHBondContact O-N 2.92Å; V542-L545 PolarHBondContact O-N 3.22Å; V542-I546 HydrophobicContact CG1-CG1 4.38Å; V542-I546 WeakPolarHBondContact O-CB 3.25Å; V542-I546 VanDerWaalsContact O-CG1 3.27Å; V542-I546 WeakPolarHBondContact O-CG1 3.44Å; V542-I546 PolarHBondContact O-N 2.9Å
543Q86Confident83.7Confident94 Ų9456.9 Ų56.944%0.43929%0.287SS..Hα-helixtrans-69.2-37.6-178.9-169.355.94700112.5Q539 V540 H541 T547Q539-Q543 PolarHBondContact O-N 3.15Å; V540-Q543 PolarHBondContact O-N 2.9Å; H541-Q543 VanDerWaalsContact C-N 3.26Å; H541-Q543 PolarHBondContact O-N 3.47Å; Q543-T547 PolarHBondContact O-N 3.36Å; Q543-T547 VanDerWaalsContact O-N 3.09Å; Q543-T547 PolarHBondContact O-OG1 3.32Å
544E86.1Confident83.3Confident91 Ų9160.9 Ų60.943%0.42531%0.309SS..Hα-helixtrans-64.8-45.7173.3-74.1173.8-173.800111.4I9 V540 H541 I546 T547 S548I9-E544 HydrophobicContact CD1-CB 3.58Å; I9-E544 HydrophobicContact CD1-CG 4.49Å; I9-E544 VanDerWaalsContact CD1-OE2 3.25Å; I9-E544 WeakPolarHBondContact CD1-OE2 3.31Å; I9-E544 HydrophobicContact CG1-CB 4.43Å; V540-E544 PolarHBondContact O-N 3.14Å; V540-E544 VanDerWaalsContact O-N 3.16Å; H541-E544 PolarHBondContact O-N 3.36Å; E544-I546 PolarHBondContact O-N 3.47Å; E544-T547 WeakPolarHBondContact O-CB 3.49Å; E544-T547 PolarHBondContact O-N 3.17Å; E544-T547 VanDerWaalsContact O-N 3.11Å; E544-S548 PolarHBondContact O-N 3.49Å; E544-S548 PolarHBondContact O-OG 3.15Å
545L87.2Confident83.2Confident0 Ų061 Ų610%031%0.314CS..Hα-helixtrans-59.5-45.8175.8-75164.4000112.5P8 I9 I12 I537 H541 V542 T547 S548 L549 F568P8-L545 HydrophobicContact CG-CD1 3.96Å; P8-L545 HydrophobicContact CG-CD2 4.23Å; I9-L545 HydrophobicContact CD1-CG 4.09Å; I9-L545 HydrophobicContact CG1-CD1 4.37Å; I9-L545 HydrophobicContact CG1-CD2 3.66Å; I9-L545 HydrophobicContact CG1-CG 3.59Å; I12-L545 HydrophobicContact CD1-CD2 3.91Å; I537-L545 HydrophobicContact CD1-CD1 3.92Å; I537-L545 HydrophobicContact CG2-CD1 3.92Å; H541-L545 WeakPolarHBondContact O-CB 3.45Å; H541-L545 VanDerWaalsContact O-CG 3.31Å; H541-L545 WeakPolarHBondContact O-CG 3.34Å; H541-L545 PolarHBondContact O-N 3.49Å; V542-L545 PolarHBondContact O-N 3.22Å; L545-T547 PolarHBondContact O-N 2.94Å; L545-S548 CarbonylContact O-C 3.56Å; L545-S548 PolarHBondContact O-N 2.82Å; L545-S548 VanDerWaalsContact O-N 3.12Å; L545-L549 WeakPolarHBondContact O-CG 3.41Å; L545-L549 PolarHBondContact O-N 3.05Å; L545-F568 HydrophobicContact CD1-CZ 3.95Å; L545-F568 HydrophobicContact CD2-CE1 4.39Å; L545-F568 HydrophobicContact CD2-CZ 4.03Å
546I87.7Confident83.1Confident10 Ų1062.3 Ų62.35%0.05132%0.321CS..Hα-helixtrans-61.2-37.9176.6-70.4-59.6000110.7V525 L528 K529 F532 V542 E544 S548 L549 D550V525-I546 HydrophobicContact CG1-CD1 4.04Å; V525-I546 HydrophobicContact CG1-CG1 4.22Å; V525-I546 HydrophobicContact CG1-CG2 3.56Å; V525-I546 HydrophobicContact CG2-CD1 4.48Å; V525-I546 HydrophobicContact CG2-CG2 4.09Å; L528-I546 HydrophobicContact CB-CD1 3.91Å; K529-I546 HydrophobicContact CG-CD1 4.44Å; K529-I546 HydrophobicContact CG-CG1 4.12Å; F532-I546 HydrophobicContact CD2-CD1 4.3Å; F532-I546 HydrophobicContact CE2-CD1 3.92Å; V542-I546 HydrophobicContact CG1-CG1 4.38Å; V542-I546 WeakPolarHBondContact O-CB 3.25Å; V542-I546 VanDerWaalsContact O-CG1 3.27Å; V542-I546 WeakPolarHBondContact O-CG1 3.44Å; V542-I546 PolarHBondContact O-N 2.9Å; E544-I546 PolarHBondContact O-N 3.47Å; I546-S548 VanDerWaalsContact C-N 3.3Å; I546-S548 PolarHBondContact O-N 3.28Å; I546-L549 PolarHBondContact O-N 3.4Å; I546-D550 WeakPolarHBondContact O-CB 3.35Å; I546-D550 PolarHBondContact O-N 3.08Å
547T84.9Confident83.2Confident78 Ų7860.3 Ų60.348%0.47931%0.311SS..Hα-helixtrans-67.2-34.4177-53.30000111.7Q543 E544 L545Q543-T547 PolarHBondContact O-N 3.36Å; Q543-T547 VanDerWaalsContact O-N 3.09Å; Q543-T547 PolarHBondContact O-OG1 3.32Å; E544-T547 WeakPolarHBondContact O-CB 3.49Å; E544-T547 PolarHBondContact O-N 3.17Å; E544-T547 VanDerWaalsContact O-N 3.11Å; L545-T547 PolarHBondContact O-N 2.94Å
548S83.2Confident83.1Confident38 Ų3862.2 Ų62.227%0.26632%0.321SS..Hα-helixtrans-74.7-32.8174.8-62.20000113.2E544 L545 I546 H551E544-S548 PolarHBondContact O-N 3.49Å; E544-S548 PolarHBondContact O-OG 3.15Å; L545-S548 CarbonylContact O-C 3.56Å; L545-S548 PolarHBondContact O-N 2.82Å; L545-S548 VanDerWaalsContact O-N 3.12Å; I546-S548 VanDerWaalsContact C-N 3.3Å; I546-S548 PolarHBondContact O-N 3.28Å; S548-H551 PolarHBondContact O-CE1 2.9Å; S548-H551 PolarHBondContact O-ND1 2.8Å; S548-H551 PolarHBondContact O-NE2 3.44Å
549L85.4Confident83.1Confident6 Ų661.1 Ų61.13%0.03131%0.313CS..Hα-helixtrans-90.7-36.1-177.3-63.9170.7000113.1F532 L545 I546 H551 I557 Y565 F568 F569F532-L549 HydrophobicContact CE2-CD1 4.25Å; F532-L549 HydrophobicContact CZ-CD1 3.96Å; L545-L549 WeakPolarHBondContact O-CG 3.41Å; L545-L549 PolarHBondContact O-N 3.05Å; I546-L549 PolarHBondContact O-N 3.4Å; L549-H551 PolarHBondContact O-N 3.5Å; L549-I557 HydrophobicContact CB-CD1 3.41Å; L549-I557 VanDerWaalsContact CB-CD1 3.41Å; L549-I557 HydrophobicContact CB-CG1 4.24Å; L549-I557 HydrophobicContact CD1-CD1 3.82Å; L549-I557 HydrophobicContact CG-CD1 4.21Å; L549-Y565 HydrophobicContact CD2-CD1 4.43Å; L549-Y565 HydrophobicContact CD2-CD2 3.57Å; L549-Y565 HydrophobicContact CD2-CE2 3.93Å; L549-Y565 HydrophobicContact CD2-CG 3.84Å; L549-F568 HydrophobicContact CD1-CE1 4.26Å; L549-F569 HydrophobicContact CD1-CZ 4.17Å
550D84Confident83.1Confident17 Ų1754.9 Ų54.99%0.09128%0.284CS..  trans-9662.7176-175.717.2000110.8V525 I546 K552 K553 N554 G555V525-D550 HydrophobicContact CG2-CB 4.32Å; I546-D550 WeakPolarHBondContact O-CB 3.35Å; I546-D550 PolarHBondContact O-N 3.08Å; D550-K552 PolarHBondContact O-N 3.25Å; D550-K552 VanDerWaalsContact O-N 3.14Å; D550-K553 PolarHBondContact O-N 3.32Å; D550-K553 WeakPolarHBondContact OD1-CA 3.35Å; D550-K553 PolarHBondContact OD1-N 3.06Å; D550-K553 WeakPolarHBondContact OD2-CA 3.32Å; D550-N554 PolarHBondContact OD1-N 3.18Å; D550-N554 PolarHBondContact OD2-N 3.25Å; D550-G555 WeakPolarHBondContact OD2-CA 3.32Å; D550-G555 PolarHBondContact OD2-N 3.44Å
551H72.9Confident83.2Confident138 Ų13851.9 Ų51.964%0.63927%0.266SS*.THydrogen-bonded Turntrans-55.4-32.6-179.8-68.4-51.9000113.5S548 L549 K553S548-H551 PolarHBondContact O-CE1 2.9Å; S548-H551 PolarHBondContact O-ND1 2.8Å; S548-H551 PolarHBondContact O-NE2 3.44Å; L549-H551 PolarHBondContact O-N 3.5Å; H551-K553 VanDerWaalsContact C-N 3.32Å
552K73Confident83.4Confident152 Ų15250.3 Ų50.366%0.66126%0.259SS*.THydrogen-bonded Turntrans-82.9-10-179.2-66.7177.9-177.41660113D550 N554D550-K552 PolarHBondContact O-N 3.25Å; D550-K552 VanDerWaalsContact O-N 3.14Å; K552-N554 PolarHBondContact O-N 2.97Å; K552-N554 PolarHBondContact O-OD1 3.35Å
553K76.2Confident83.4Confident173 Ų17350.2 Ų50.275%0.75226%0.258SS*.  trans55.439.3-175.6-57.3-178.2179.5-1800112.2D550 H551 G555D550-K553 PolarHBondContact O-N 3.32Å; D550-K553 WeakPolarHBondContact OD1-CA 3.35Å; D550-K553 PolarHBondContact OD1-N 3.06Å; D550-K553 WeakPolarHBondContact OD2-CA 3.32Å; H551-K553 VanDerWaalsContact C-N 3.32Å; K553-G555 VanDerWaalsContact C-N 3.27Å
554N76.8Confident83.6Confident105 Ų10546.2 Ų46.256%0.56124%0.24SC*.  trans-83.5-7179.6-73.2-7.9000112.1D550 K552 T556D550-N554 PolarHBondContact OD1-N 3.18Å; D550-N554 PolarHBondContact OD2-N 3.25Å; K552-N554 PolarHBondContact O-N 2.97Å; K552-N554 PolarHBondContact O-OD1 3.35Å; N554-T556 PolarHBondContact O-N 3.29Å
555G82.7Confident83.8Confident34 Ų3442.6 Ų42.635%0.35122%0.222SC..SBendtrans777.2-174.700000113.3V525 D550 K553V525-G555 WeakPolarHBondContact CB-O 3.43Å; V525-G555 VanDerWaalsContact CG2-C 3.42Å; V525-G555 WeakPolarHBondContact CG2-O 3.47Å; V525-G555 PolarHBondContact N-O 3.12Å; D550-G555 WeakPolarHBondContact OD2-CA 3.32Å; D550-G555 PolarHBondContact OD2-N 3.44Å; K553-G555 VanDerWaalsContact C-N 3.27Å
556T85.4Confident83.9Confident27 Ų2742.6 Ų42.617%0.16622%0.222CC..EExtended strand (participates in β ladder)trans-144.9143.4-17765.40000111.1I523 N554I523-T556 CarbonylContact O-C 3.58Å; I523-T556 VanDerWaalsContact O-CA 3.23Å; I523-T556 WeakPolarHBondContact O-CA 3.38Å; N554-T556 PolarHBondContact O-N 3.29Å
557I86.1Confident83.9Confident2 Ų242.5 Ų42.51%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-100.5131.7168.7-58.7-179.8000108.3H522 I523 L528 L549 T561H522-I557 CarbonylContact C-O 3.5Å; H522-I557 VanDerWaalsContact CA-O 3.22Å; H522-I557 WeakPolarHBondContact CA-O 3.37Å; H522-I557 WeakPolarHBondContact CB-O 3.1Å; I523-I557 PolarHBondContact N-O 3.27Å; I523-I557 PolarHBondContact O-N 3.35Å; L528-I557 HydrophobicContact CD1-CB 4.1Å; L528-I557 HydrophobicContact CD1-CD1 3.31Å; L528-I557 HydrophobicContact CD1-CG1 3.63Å; L528-I557 HydrophobicContact CD2-CD1 4.26Å; L528-I557 HydrophobicContact CG-CD1 4.38Å; L549-I557 HydrophobicContact CB-CD1 3.41Å; L549-I557 VanDerWaalsContact CB-CD1 3.41Å; L549-I557 HydrophobicContact CB-CG1 4.24Å; L549-I557 HydrophobicContact CD1-CD1 3.82Å; L549-I557 HydrophobicContact CG-CD1 4.21Å; I557-T561 HydrophobicContact CG2-CG2 3.74Å
558D83.7Confident84.1Confident42 Ų4238.8 Ų38.823%0.22520%0.199CC..EExtended strand (participates in β ladder)trans-81.3165.6174.273.535.6000112.1V560 T561 F562D558-V560 PolarHBondContact O-N 2.94Å; D558-V560 WeakPolarHBondContact OD1-CA 3.5Å; D558-V560 WeakPolarHBondContact OD1-CB 3.42Å; D558-V560 PolarHBondContact OD1-N 2.75Å; D558-T561 PolarHBondContact O-N 2.83Å; D558-T561 PolarHBondContact OD1-N 3.33Å; D558-T561 PolarHBondContact OD1-OG1 3.39Å; D558-F562 PolarHBondContact O-N 2.89Å
559F83.4Confident84.5Confident5 Ų537 Ų372%0.02219%0.187CC..Hα-helixtrans-62.9-26.4-179.3-172.9-113.4000113.8R459 F462 F520 G521 F562 L563R459-F559 HydrophobicContact CG-CE2 4.12Å; R459-F559 HydrophobicContact CG-CZ 3.79Å; F462-F559 HydrophobicContact CB-CD2 4.32Å; F462-F559 HydrophobicContact CB-CE2 4.07Å; F462-F559 AromaticContact CD1-CD2 3.99Å; F462-F559 HydrophobicContact CD1-CD2 3.99Å; F462-F559 HydrophobicContact CD1-CE2 4.4Å; F462-F559 AromaticContact CD2-CD2 3.64Å; F462-F559 HydrophobicContact CD2-CD2 3.64Å; F462-F559 HydrophobicContact CD2-CE2 4.19Å; F462-F559 HydrophobicContact CE1-CD2 4.14Å; F462-F559 HydrophobicContact CE2-CB 4.29Å; F462-F559 AromaticContact CE2-CD2 3.78Å; F462-F559 HydrophobicContact CE2-CD2 3.78Å; F462-F559 AromaticContact CG-CD2 3.73Å; F462-F559 HydrophobicContact CG-CD2 3.73Å; F462-F559 AromaticContact CG-CE2 3.98Å; F462-F559 HydrophobicContact CG-CE2 3.98Å; F462-F559 HydrophobicContact CZ-CB 4.19Å; F462-F559 HydrophobicContact CZ-CD2 4.03Å; F520-F559 HydrophobicContact CB-CB 3.59Å; F520-F559 HydrophobicContact CB-CD1 4.14Å; F520-F559 HydrophobicContact CB-CG 4.26Å; F520-F559 WeakPolarHBondContact O-CB 3.3Å; G521-F559 PolarHBondContact O-N 2.9Å; F559-F562 HydrophobicContact CD2-CD1 4.01Å; F559-F562 AromaticContact CE2-CD1 3.95Å; F559-F562 HydrophobicContact CE2-CD1 3.95Å; F559-F562 HydrophobicContact CE2-CE1 4.25Å; F559-F562 PolarHBondContact O-N 3.36Å; F559-L563 HydrophobicContact CD1-CD1 3.87Å; F559-L563 HydrophobicContact CD1-CG 4.17Å; F559-L563 HydrophobicContact CE1-CD1 3.41Å; F559-L563 VanDerWaalsContact CE1-CD1 3.41Å; F559-L563 HydrophobicContact CE1-CD2 4.25Å; F559-L563 HydrophobicContact CE1-CG 3.8Å; F559-L563 HydrophobicContact CE2-CD2 4.34Å; F559-L563 HydrophobicContact CE2-CG 4.28Å; F559-L563 HydrophobicContact CZ-CD1 3.91Å; F559-L563 HydrophobicContact CZ-CD2 3.85Å; F559-L563 HydrophobicContact CZ-CG 3.84Å; F559-L563 WeakPolarHBondContact O-CB 3.25Å; F559-L563 WeakPolarHBondContact O-CG 3.35Å; F559-L563 PolarHBondContact O-N 3.26Å
560V84.4Confident84.6Confident12 Ų1237.1 Ų37.17%0.07319%0.188CC..Hα-helixtrans-71.4-47.5-179.3-176.90000109.7L421 V424 F520 D558 F562 L563 E564L421-V560 HydrophobicContact CB-CG2 4.23Å; L421-V560 HydrophobicContact CD1-CG2 4.15Å; V424-V560 HydrophobicContact CB-CG1 4.36Å; V424-V560 HydrophobicContact CG2-CG1 3.78Å; F520-V560 HydrophobicContact CD2-CG2 3.79Å; F520-V560 HydrophobicContact CE2-CG2 4.11Å; D558-V560 PolarHBondContact O-N 2.94Å; D558-V560 WeakPolarHBondContact OD1-CA 3.5Å; D558-V560 WeakPolarHBondContact OD1-CB 3.42Å; D558-V560 PolarHBondContact OD1-N 2.75Å; V560-F562 VanDerWaalsContact C-N 3.3Å; V560-F562 PolarHBondContact O-N 3.23Å; V560-L563 PolarHBondContact O-N 3.16Å; V560-E564 PolarHBondContact O-N 3.24Å
561T86.3Confident84.8Confident30 Ų3038.9 Ų38.918%0.18420%0.196CC..Hα-helixtrans-63-37.3173.6-58.20000111.4I557 D558 E564 Y565I557-T561 HydrophobicContact CG2-CG2 3.74Å; D558-T561 PolarHBondContact O-N 2.83Å; D558-T561 PolarHBondContact OD1-N 3.33Å; D558-T561 PolarHBondContact OD1-OG1 3.39Å; T561-E564 WeakPolarHBondContact O-CB 3.36Å; T561-E564 PolarHBondContact O-N 3.4Å; T561-Y565 HydrophobicContact CG2-CD2 4.32Å; T561-Y565 HydrophobicContact CG2-CE2 4.5Å; T561-Y565 WeakPolarHBondContact O-CD2 2.78Å; T561-Y565 PolarHBondContact O-N 2.72Å
562F89.1Confident85.5Confident0 Ų032.3 Ų32.30%017%0.165CC..Hα-helixtrans-59.8-47.3172.8168.3-95.7000112.3A458 L461 F462 I465 I523 D558 F559 V560 E564 Y565 L566 F569A458-F562 HydrophobicContact CB-CE1 4.2Å; A458-F562 VanDerWaalsContact O-CE1 3.31Å; A458-F562 WeakPolarHBondContact O-CE1 3.22Å; L461-F562 HydrophobicContact CB-CZ 4.34Å; L461-F562 HydrophobicContact CD2-CZ 4.24Å; L461-F562 HydrophobicContact CG-CZ 4.15Å; F462-F562 HydrophobicContact CB-CD1 4.23Å; F462-F562 HydrophobicContact CB-CE1 3.81Å; F462-F562 HydrophobicContact CB-CZ 3.96Å; F462-F562 HydrophobicContact CD2-CB 3.92Å; F462-F562 AromaticContact CD2-CD1 3.57Å; F462-F562 HydrophobicContact CD2-CD1 3.57Å; F462-F562 AromaticContact CD2-CD2 3.82Å; F462-F562 HydrophobicContact CD2-CD2 3.82Å; F462-F562 AromaticContact CD2-CE1 3.99Å; F462-F562 HydrophobicContact CD2-CE1 3.99Å; F462-F562 HydrophobicContact CD2-CE2 4.21Å; F462-F562 AromaticContact CD2-CG 3.48Å; F462-F562 HydrophobicContact CD2-CG 3.48Å; F462-F562 VanDerWaalsContact CD2-CG 3.48Å; F462-F562 HydrophobicContact CD2-CZ 4.29Å; F462-F562 HydrophobicContact CE2-CB 3.91Å; F462-F562 HydrophobicContact CE2-CD1 4.35Å; F462-F562 HydrophobicContact CE2-CD2 4.48Å; F462-F562 HydrophobicContact CE2-CG 4Å; F462-F562 HydrophobicContact CG-CD1 4.32Å; F462-F562 HydrophobicContact CG-CE1 4.38Å; I465-F562 HydrophobicContact CD1-CE2 3.89Å; I523-F562 HydrophobicContact CD1-CD2 4.1Å; D558-F562 PolarHBondContact O-N 2.89Å; F559-F562 HydrophobicContact CD2-CD1 4.01Å; F559-F562 AromaticContact CE2-CD1 3.95Å; F559-F562 HydrophobicContact CE2-CD1 3.95Å; F559-F562 HydrophobicContact CE2-CE1 4.25Å; F559-F562 PolarHBondContact O-N 3.36Å; V560-F562 VanDerWaalsContact C-N 3.3Å; V560-F562 PolarHBondContact O-N 3.23Å; F562-E564 VanDerWaalsContact C-N 3.32Å; F562-E564 PolarHBondContact O-N 3.49Å; F562-Y565 CarbonylContact O-C 3.56Å; F562-Y565 PolarHBondContact O-N 3.31Å; F562-L566 HydrophobicContact CE1-CD1 3.85Å; F562-L566 HydrophobicContact CZ-CD1 3.84Å; F562-L566 PolarHBondContact O-N 2.86Å; F562-F569 HydrophobicContact CB-CE2 4.47Å; F562-F569 HydrophobicContact CD2-CB 4.5Å; F562-F569 HydrophobicContact CD2-CD1 4.1Å; F562-F569 AromaticContact CD2-CD2 3.45Å; F562-F569 HydrophobicContact CD2-CD2 3.45Å; F562-F569 VanDerWaalsContact CD2-CD2 3.45Å; F562-F569 HydrophobicContact CD2-CE1 4.17Å; F562-F569 AromaticContact CD2-CE2 3.54Å; F562-F569 HydrophobicContact CD2-CE2 3.54Å; F562-F569 AromaticContact CD2-CG 3.75Å; F562-F569 HydrophobicContact CD2-CG 3.75Å; F562-F569 AromaticContact CD2-CZ 3.91Å; F562-F569 HydrophobicContact CD2-CZ 3.91Å; F562-F569 HydrophobicContact CE2-CB 3.77Å; F562-F569 AromaticContact CE2-CD1 3.93Å; F562-F569 HydrophobicContact CE2-CD1 3.93Å; F562-F569 AromaticContact CE2-CD2 3.59Å; F562-F569 HydrophobicContact CE2-CD2 3.59Å; F562-F569 HydrophobicContact CE2-CE1 4.44Å; F562-F569 HydrophobicContact CE2-CE2 4.15Å; F562-F569 AromaticContact CE2-CG 3.47Å; F562-F569 HydrophobicContact CE2-CG 3.47Å; F562-F569 VanDerWaalsContact CE2-CG 3.47Å; F562-F569 HydrophobicContact CG-CD2 4.34Å; F562-F569 HydrophobicContact CG-CE2 4.31Å; F562-F569 HydrophobicContact CZ-CB 4.4Å; F562-F569 HydrophobicContact CZ-CG 4.49Å
563L88.1Confident86.3Confident0 Ų027.8 Ų27.80%015%0.146CC..Hα-helixtrans-64.7-37.4179.6-78.6-178.5000112.4I17 V424 L428 A458 F559 V560 Y565 L566I17-L563 WeakPolarHBondContact CD1-O 2.91Å; V424-L563 HydrophobicContact CG1-CB 3.41Å; V424-L563 VanDerWaalsContact CG1-CB 3.41Å; V424-L563 HydrophobicContact CG1-CD1 4.12Å; V424-L563 HydrophobicContact CG1-CG 4.44Å; L428-L563 HydrophobicContact CD2-CD2 4.48Å; A458-L563 HydrophobicContact CB-CD2 3.56Å; F559-L563 HydrophobicContact CD1-CD1 3.87Å; F559-L563 HydrophobicContact CD1-CG 4.17Å; F559-L563 HydrophobicContact CE1-CD1 3.41Å; F559-L563 VanDerWaalsContact CE1-CD1 3.41Å; F559-L563 HydrophobicContact CE1-CD2 4.25Å; F559-L563 HydrophobicContact CE1-CG 3.8Å; F559-L563 HydrophobicContact CE2-CD2 4.34Å; F559-L563 HydrophobicContact CE2-CG 4.28Å; F559-L563 HydrophobicContact CZ-CD1 3.91Å; F559-L563 HydrophobicContact CZ-CD2 3.85Å; F559-L563 HydrophobicContact CZ-CG 3.84Å; F559-L563 WeakPolarHBondContact O-CB 3.25Å; F559-L563 WeakPolarHBondContact O-CG 3.35Å; F559-L563 PolarHBondContact O-N 3.26Å; V560-L563 PolarHBondContact O-N 3.16Å; L563-Y565 VanDerWaalsContact C-N 3.26Å; L563-Y565 PolarHBondContact O-N 3.04Å; L563-L566 HydrophobicContact CD2-CD2 4.41Å; L563-L566 WeakPolarHBondContact O-CB 3.22Å; L563-L566 PolarHBondContact O-N 3.08Å; L563-L566 VanDerWaalsContact O-N 3.17Å
564E88.4Confident86.8Confident10 Ų1022.4 Ų22.45%0.04712%0.124CC..Hα-helixtrans-57.3-40.5176.9175.3178-160.600112.5R16 I17 W367 V424 V560 T561 F562R16-E564 WeakPolarHBondContact CA-O 3.39Å; R16-E564 WeakPolarHBondContact CD-OE1 3.11Å; R16-E564 HydrophobicContact CG-CG 3.79Å; R16-E564 IonicContact CZ-OE1 2.8Å; R16-E564 IonicContact NE-OE1 3.4Å; R16-E564 PolarHBondContact NE-OE1 2.78Å; R16-E564 IonicContact NH2-OE1 2.63Å; I17-E564 PolarHBondContact N-O 3.36Å; W367-E564 WeakPolarHBondContact CH2-OE1 3.01Å; W367-E564 WeakPolarHBondContact CH2-OE2 3.49Å; W367-E564 WeakPolarHBondContact CZ2-OE1 3.35Å; V424-E564 HydrophobicContact CG2-CB 4.24Å; V560-E564 PolarHBondContact O-N 3.24Å; T561-E564 WeakPolarHBondContact O-CB 3.36Å; T561-E564 PolarHBondContact O-N 3.4Å; F562-E564 VanDerWaalsContact C-N 3.32Å; F562-E564 PolarHBondContact O-N 3.49Å
565Y90.3Very high87.1Confident15 Ų1519.8 Ų19.86%0.05911%0.108CC..THydrogen-bonded Turntrans-10323.7178-66.8-82.1000112.6I12 R16 L549 T561 F562 L563 P567 F568 F569I12-Y565 HydrophobicContact CD1-CD1 4.08Å; I12-Y565 HydrophobicContact CD1-CE1 4.3Å; I12-Y565 HydrophobicContact CG1-CD1 4.19Å; I12-Y565 HydrophobicContact CG1-CE1 3.89Å; R16-Y565 HydrophobicContact CB-CD1 4.49Å; R16-Y565 HydrophobicContact CB-CE1 4.14Å; R16-Y565 HydrophobicContact CG-CE1 4.49Å; L549-Y565 HydrophobicContact CD2-CD1 4.43Å; L549-Y565 HydrophobicContact CD2-CD2 3.57Å; L549-Y565 HydrophobicContact CD2-CE2 3.93Å; L549-Y565 HydrophobicContact CD2-CG 3.84Å; T561-Y565 HydrophobicContact CG2-CD2 4.32Å; T561-Y565 HydrophobicContact CG2-CE2 4.5Å; T561-Y565 WeakPolarHBondContact O-CD2 2.78Å; T561-Y565 PolarHBondContact O-N 2.72Å; F562-Y565 CarbonylContact O-C 3.56Å; F562-Y565 PolarHBondContact O-N 3.31Å; L563-Y565 VanDerWaalsContact C-N 3.26Å; L563-Y565 PolarHBondContact O-N 3.04Å; Y565-P567 VanDerWaalsContact C-CD 3.45Å; Y565-F568 WeakPolarHBondContact O-CB 3.46Å; Y565-F568 PolarHBondContact O-N 3.29Å; Y565-F569 VanDerWaalsContact O-CD2 3.28Å; Y565-F569 WeakPolarHBondContact O-CD2 3.42Å; Y565-F569 PolarHBondContact O-N 3.48Å
566L89.9Confident87.2Confident0 Ų020.2 Ų20.20%010%0.102CC..Hα-helixtrans-51.2-44.3-175.8177.963.7000114L428 L435 I438 A458 L461 F562 L563 F568 F569 V570L428-L566 HydrophobicContact CD1-CD2 4.1Å; L435-L566 HydrophobicContact CD1-CD2 4.32Å; L435-L566 HydrophobicContact CD2-CB 4.46Å; L435-L566 HydrophobicContact CD2-CD2 3.64Å; L435-L566 HydrophobicContact CD2-CG 3.77Å; I438-L566 HydrophobicContact CD1-CG 4.49Å; A458-L566 HydrophobicContact CB-CD1 3.82Å; A458-L566 HydrophobicContact CB-CD2 3.79Å; A458-L566 HydrophobicContact CB-CG 4.49Å; L461-L566 HydrophobicContact CD2-CD1 4.31Å; F562-L566 HydrophobicContact CE1-CD1 3.85Å; F562-L566 HydrophobicContact CZ-CD1 3.84Å; F562-L566 PolarHBondContact O-N 2.86Å; L563-L566 HydrophobicContact CD2-CD2 4.41Å; L563-L566 WeakPolarHBondContact O-CB 3.22Å; L563-L566 PolarHBondContact O-N 3.08Å; L563-L566 VanDerWaalsContact O-N 3.17Å; L566-F568 PolarHBondContact O-N 2.91Å; L566-F569 PolarHBondContact O-N 2.64Å; L566-V570 HydrophobicContact CD1-CG2 4.03Å; L566-V570 HydrophobicContact CG-CG2 4.24Å; L566-V570 WeakPolarHBondContact O-CG2 3.28Å; L566-V570 PolarHBondContact O-N 3.15Å
567P87.8Confident87.1Confident8 Ų823.5 Ų23.55%0.05212%0.117CC..Hα-helixtrans-54.2-38175.5-27.335.6000113.8Y15 I17 F432 L435 Y565 V570 E571Y15-P567 HydrophobicContact CD1-CB 4.03Å; Y15-P567 VanDerWaalsContact O-CD 3.32Å; Y15-P567 WeakPolarHBondContact O-CD 3.33Å; Y15-P567 WeakPolarHBondContact O-CG 3.37Å; I17-P567 HydrophobicContact CG2-CG 3.59Å; F432-P567 HydrophobicContact CD1-CG 4.03Å; F432-P567 HydrophobicContact CE1-CB 4.17Å; F432-P567 HydrophobicContact CE1-CG 3.37Å; F432-P567 HydrophobicContact CZ-CG 4.05Å; L435-P567 HydrophobicContact CD2-CG 4.26Å; Y565-P567 VanDerWaalsContact C-CD 3.45Å; P567-V570 PolarHBondContact O-N 3.3Å; P567-E571 PolarHBondContact O-N 2.85Å
568F89.7Confident86.9Confident0 Ų031.5 Ų31.50%015%0.149CC..Hα-helixtrans-65.7-44.5178.2166.4-118.5000112W6 P8 I12 Y15 F532 I537 L545 L549 Y565 L566 V570 E571 S572W6-F568 AromaticContact CH2-CD2 3.72Å; W6-F568 HydrophobicContact CH2-CD2 3.72Å; W6-F568 AromaticContact CH2-CE2 3.5Å; W6-F568 HydrophobicContact CH2-CE2 3.5Å; W6-F568 HydrophobicContact CZ2-CD2 4.15Å; W6-F568 HydrophobicContact CZ2-CE2 4.2Å; W6-F568 HydrophobicContact CZ3-CE2 4.06Å; P8-F568 HydrophobicContact CB-CD2 3.88Å; P8-F568 HydrophobicContact CB-CE2 3.56Å; P8-F568 HydrophobicContact CG-CD2 4.37Å; P8-F568 HydrophobicContact CG-CE2 3.55Å; P8-F568 HydrophobicContact CG-CZ 4.23Å; I12-F568 HydrophobicContact CD1-CD1 4.23Å; I12-F568 HydrophobicContact CD1-CG 4.21Å; Y15-F568 VanDerWaalsContact CD1-CA 3.45Å; Y15-F568 HydrophobicContact CD1-CB 3.76Å; Y15-F568 HydrophobicContact CD2-CB 4.17Å; Y15-F568 HydrophobicContact CD2-CD2 4.37Å; Y15-F568 HydrophobicContact CE1-CB 4.49Å; Y15-F568 HydrophobicContact CE2-CD2 4.46Å; Y15-F568 HydrophobicContact CG-CB 3.57Å; Y15-F568 HydrophobicContact CG-CG 4.46Å; F532-F568 HydrophobicContact CD1-CE1 4.19Å; F532-F568 AromaticContact CD1-CZ 3.86Å; F532-F568 HydrophobicContact CD1-CZ 3.86Å; F532-F568 HydrophobicContact CE1-CD1 4.36Å; F532-F568 AromaticContact CE1-CE1 3.26Å; F532-F568 HydrophobicContact CE1-CE1 3.26Å; F532-F568 AromaticContact CE1-CZ 3.4Å; F532-F568 HydrophobicContact CE1-CZ 3.4Å; F532-F568 AromaticContact CZ-CE1 3.52Å; F532-F568 HydrophobicContact CZ-CE1 3.52Å; F532-F568 AromaticContact CZ-CZ 3.99Å; F532-F568 HydrophobicContact CZ-CZ 3.99Å; I537-F568 HydrophobicContact CD1-CE2 4.34Å; I537-F568 HydrophobicContact CD1-CZ 4.22Å; L545-F568 HydrophobicContact CD1-CZ 3.95Å; L545-F568 HydrophobicContact CD2-CE1 4.39Å; L545-F568 HydrophobicContact CD2-CZ 4.03Å; L549-F568 HydrophobicContact CD1-CE1 4.26Å; Y565-F568 WeakPolarHBondContact O-CB 3.46Å; Y565-F568 PolarHBondContact O-N 3.29Å; L566-F568 PolarHBondContact O-N 2.91Å; F568-V570 PolarHBondContact O-N 3.1Å; F568-E571 PolarHBondContact O-N 3.4Å; F568-S572 WeakPolarHBondContact CE2-OG 3.32Å; F568-S572 WeakPolarHBondContact O-CB 3.02Å; F568-S572 PolarHBondContact O-N 3.49Å; F568-S572 PolarHBondContact O-OG 3.07Å
569F90.9Very high86.4Confident0 Ų033.8 Ų33.80%016%0.161CC..Hα-helixtrans-64.4-32.5177.1-70.6-73.6000112.1L461 I465 L528 F531 F532 L549 F562 Y565 L566 H573L461-F569 HydrophobicContact CD2-CB 4.03Å; I465-F569 HydrophobicContact CD1-CB 4.25Å; I465-F569 HydrophobicContact CD1-CD1 3.87Å; I465-F569 HydrophobicContact CD1-CG 4.37Å; L528-F569 HydrophobicContact CD2-CE1 3.65Å; L528-F569 HydrophobicContact CD2-CZ 4.24Å; F531-F569 AromaticContact CE1-CD1 3.97Å; F531-F569 HydrophobicContact CE1-CD1 3.97Å; F532-F569 HydrophobicContact CE1-CD1 4.31Å; F532-F569 HydrophobicContact CE1-CE1 4.01Å; F532-F569 AromaticContact CZ-CE1 3.76Å; F532-F569 HydrophobicContact CZ-CE1 3.76Å; F532-F569 HydrophobicContact CZ-CZ 4.4Å; L549-F569 HydrophobicContact CD1-CZ 4.17Å; F562-F569 HydrophobicContact CB-CE2 4.47Å; F562-F569 HydrophobicContact CD2-CB 4.5Å; F562-F569 HydrophobicContact CD2-CD1 4.1Å; F562-F569 AromaticContact CD2-CD2 3.45Å; F562-F569 HydrophobicContact CD2-CD2 3.45Å; F562-F569 VanDerWaalsContact CD2-CD2 3.45Å; F562-F569 HydrophobicContact CD2-CE1 4.17Å; F562-F569 AromaticContact CD2-CE2 3.54Å; F562-F569 HydrophobicContact CD2-CE2 3.54Å; F562-F569 AromaticContact CD2-CG 3.75Å; F562-F569 HydrophobicContact CD2-CG 3.75Å; F562-F569 AromaticContact CD2-CZ 3.91Å; F562-F569 HydrophobicContact CD2-CZ 3.91Å; F562-F569 HydrophobicContact CE2-CB 3.77Å; F562-F569 AromaticContact CE2-CD1 3.93Å; F562-F569 HydrophobicContact CE2-CD1 3.93Å; F562-F569 AromaticContact CE2-CD2 3.59Å; F562-F569 HydrophobicContact CE2-CD2 3.59Å; F562-F569 HydrophobicContact CE2-CE1 4.44Å; F562-F569 HydrophobicContact CE2-CE2 4.15Å; F562-F569 AromaticContact CE2-CG 3.47Å; F562-F569 HydrophobicContact CE2-CG 3.47Å; F562-F569 VanDerWaalsContact CE2-CG 3.47Å; F562-F569 HydrophobicContact CG-CD2 4.34Å; F562-F569 HydrophobicContact CG-CE2 4.31Å; F562-F569 HydrophobicContact CZ-CB 4.4Å; F562-F569 HydrophobicContact CZ-CG 4.49Å; Y565-F569 VanDerWaalsContact O-CD2 3.28Å; Y565-F569 WeakPolarHBondContact O-CD2 3.42Å; Y565-F569 PolarHBondContact O-N 3.48Å; L566-F569 PolarHBondContact O-N 2.64Å; F569-H573 VanDerWaalsContact O-CB 3.3Å; F569-H573 WeakPolarHBondContact O-CB 3.36Å; F569-H573 PolarHBondContact O-N 3.31Å
570V88.4Confident85.5Confident9 Ų937.1 Ų37.16%0.05518%0.183CC..Hα-helixtrans-71.8-47.1179.6171.20000110.7S437 I438 L461 L566 P567 F568 S572 H573 Q574S437-V570 WeakPolarHBondContact OG-CG1 3.46Å; I438-V570 HydrophobicContact CD1-CB 4.05Å; I438-V570 HydrophobicContact CD1-CG1 3.86Å; I438-V570 HydrophobicContact CD1-CG2 3.12Å; I438-V570 HydrophobicContact CG1-CB 4.23Å; I438-V570 HydrophobicContact CG1-CG1 3.51Å; I438-V570 HydrophobicContact CG1-CG2 3.68Å; L461-V570 HydrophobicContact CD2-CG2 3.66Å; L566-V570 HydrophobicContact CD1-CG2 4.03Å; L566-V570 HydrophobicContact CG-CG2 4.24Å; L566-V570 WeakPolarHBondContact O-CG2 3.28Å; L566-V570 PolarHBondContact O-N 3.15Å; P567-V570 PolarHBondContact O-N 3.3Å; F568-V570 PolarHBondContact O-N 3.1Å; V570-S572 VanDerWaalsContact C-N 3.33Å; V570-H573 PolarHBondContact O-N 3.33Å; V570-Q574 WeakPolarHBondContact O-CG 3.48Å; V570-Q574 PolarHBondContact O-N 3.34Å
571E86.9Confident84.2Confident55 Ų5545.2 Ų45.226%0.25721%0.214SC..Hα-helixtrans-62.3-43.1174.5-171.6169.9158.700110.7W6 Y15 P567 F568 H573 Q574 H575W6-E571 HydrophobicContact CH2-CB 4.12Å; W6-E571 HydrophobicContact CH2-CG 4.03Å; W6-E571 HydrophobicContact CZ2-CB 3.98Å; W6-E571 VanDerWaalsContact CZ2-CD 3.48Å; W6-E571 HydrophobicContact CZ2-CG 3.57Å; W6-E571 WeakPolarHBondContact CZ2-OE1 3.32Å; W6-E571 PolarHBondContact NE1-OE1 3.22Å; Y15-E571 HydrophobicContact CE1-CB 4.34Å; Y15-E571 WeakPolarHBondContact CE1-OE2 3.31Å; Y15-E571 VanDerWaalsContact CZ-OE2 3.24Å; Y15-E571 PolarHBondContact OH-OE1 3.33Å; Y15-E571 PolarHBondContact OH-OE2 3.35Å; P567-E571 PolarHBondContact O-N 2.85Å; F568-E571 PolarHBondContact O-N 3.4Å; E571-H573 VanDerWaalsContact C-N 3.31Å; E571-H573 PolarHBondContact O-N 2.98Å; E571-Q574 WeakPolarHBondContact O-CB 3.32Å; E571-Q574 PolarHBondContact O-N 2.93Å; E571-Q574 VanDerWaalsContact O-N 3.1Å; E571-H575 PolarHBondContact O-CD2 2.95Å; E571-H575 VanDerWaalsContact O-CD2 3.3Å; E571-H575 PolarHBondContact O-N 2.83Å; E571-H575 IonicContact OE1-NE2 3.12Å
572S88.5Confident82.6Confident0 Ų050 Ų500%024%0.238CC..Hα-helixtrans-56-46.1174.5-59.90000111.9W6 F531 F568 V570 Q574 H575 I576W6-S572 VanDerWaalsContact CH2-OG 3.32Å; W6-S572 WeakPolarHBondContact CH2-OG 3.37Å; W6-S572 WeakPolarHBondContact CZ3-OG 3.42Å; F531-S572 VanDerWaalsContact CE1-CB 3.41Å; F568-S572 WeakPolarHBondContact CE2-OG 3.32Å; F568-S572 WeakPolarHBondContact O-CB 3.02Å; F568-S572 PolarHBondContact O-N 3.49Å; F568-S572 PolarHBondContact O-OG 3.07Å; V570-S572 VanDerWaalsContact C-N 3.33Å; S572-Q574 PolarHBondContact O-N 3.1Å; S572-H575 WeakPolarHBondContact O-CB 3.4Å; S572-H575 PolarHBondContact O-N 3.4Å; S572-I576 WeakPolarHBondContact O-CG1 3.44Å; S572-I576 PolarHBondContact O-N 3.06Å; S572-I576 VanDerWaalsContact O-N 3.08Å
573H89.1Confident80.7Confident57 Ų5754 Ų5426%0.26426%0.259SS..Hα-helixtrans-65.2-38.1177.3179.7-97.3000112.3L461 F531 F569 V570 E571 I576 I577L461-H573 HydrophobicContact CD1-CB 3.86Å; F531-H573 HydrophobicContact CE2-CB 4.33Å; F531-H573 HydrophobicContact CZ-CB 4.15Å; F569-H573 VanDerWaalsContact O-CB 3.3Å; F569-H573 WeakPolarHBondContact O-CB 3.36Å; F569-H573 PolarHBondContact O-N 3.31Å; V570-H573 PolarHBondContact O-N 3.33Å; E571-H573 VanDerWaalsContact C-N 3.31Å; E571-H573 PolarHBondContact O-N 2.98Å; H573-I576 WeakPolarHBondContact O-CB 3.28Å; H573-I576 PolarHBondContact O-N 3.13Å; H573-I577 WeakPolarHBondContact CE1-CD1 3.31Å; H573-I577 WeakPolarHBondContact O-CG1 3.42Å; H573-I577 PolarHBondContact O-N 3.3Å; H573-I577 VanDerWaalsContact O-N 3.12Å
574Q86.1Confident79Confident59 Ų5962.5 Ų62.528%0.27630%0.296SS..Hα-helixtrans-62.9-42.3172.6-73.4178.7-37.900111.7V570 E571 S572 I576 I577 Y578V570-Q574 WeakPolarHBondContact O-CG 3.48Å; V570-Q574 PolarHBondContact O-N 3.34Å; E571-Q574 WeakPolarHBondContact O-CB 3.32Å; E571-Q574 PolarHBondContact O-N 2.93Å; E571-Q574 VanDerWaalsContact O-N 3.1Å; S572-Q574 PolarHBondContact O-N 3.1Å; Q574-I576 VanDerWaalsContact C-N 3.3Å; Q574-I576 PolarHBondContact O-N 3.25Å; Q574-I577 PolarHBondContact O-N 3.3Å; Q574-I577 VanDerWaalsContact O-N 3.1Å; Q574-Y578 HydrophobicContact CB-CD2 3.97Å; Q574-Y578 HydrophobicContact CB-CE2 3.96Å; Q574-Y578 HydrophobicContact CG-CE2 4.22Å; Q574-Y578 WeakPolarHBondContact O-CB 3.09Å; Q574-Y578 WeakPolarHBondContact O-CD2 3.49Å; Q574-Y578 PolarHBondContact O-N 3.2Å
575H83.7Confident77.2Confident50 Ų5065.2 Ų65.223%0.23131%0.311CS..Hα-helixtrans-59.7-40175.9-90-96000112.3W6 A535 E571 S572 I577 N579W6-H575 AromaticContact CG-CE1 4Å; A535-H575 HydrophobicContact CB-CB 4.44Å; E571-H575 PolarHBondContact O-CD2 2.95Å; E571-H575 VanDerWaalsContact O-CD2 3.3Å; E571-H575 PolarHBondContact O-N 2.83Å; E571-H575 IonicContact OE1-NE2 3.12Å; S572-H575 WeakPolarHBondContact O-CB 3.4Å; S572-H575 PolarHBondContact O-N 3.4Å; H575-I577 VanDerWaalsContact C-N 3.33Å; H575-I577 PolarHBondContact O-N 3.48Å; H575-N579 PolarHBondContact O-N 2.93Å
576I85.5Confident75.2Confident43 Ų4367.6 Ų67.622%0.22132%0.324CS..Hα-helixtrans-60.8-43.1173.7-65.5167.4000111F531 A534 A535 S572 H573 Q574 P580F531-I576 HydrophobicContact CD2-CD1 3.53Å; F531-I576 HydrophobicContact CE2-CD1 3.35Å; F531-I576 HydrophobicContact CG-CD1 4.38Å; F531-I576 HydrophobicContact CZ-CD1 4.09Å; A534-I576 HydrophobicContact CB-CD1 3.97Å; A534-I576 HydrophobicContact CB-CG1 3.98Å; A535-I576 HydrophobicContact CB-CD1 4.3Å; A535-I576 HydrophobicContact CB-CG1 3.93Å; S572-I576 WeakPolarHBondContact O-CG1 3.44Å; S572-I576 PolarHBondContact O-N 3.06Å; S572-I576 VanDerWaalsContact O-N 3.08Å; H573-I576 WeakPolarHBondContact O-CB 3.28Å; H573-I576 PolarHBondContact O-N 3.13Å; Q574-I576 VanDerWaalsContact C-N 3.3Å; Q574-I576 PolarHBondContact O-N 3.25Å; I576-P580 WeakPolarHBondContact O-CA 3.42Å
577I83.4Confident73.2Confident96 Ų9676.5 Ų76.549%0.49236%0.363SS..Hα-helixtrans-71.9-44.2-178.3-69.5171.7000112.4H573 Q574 H575 P580H573-I577 WeakPolarHBondContact CE1-CD1 3.31Å; H573-I577 WeakPolarHBondContact O-CG1 3.42Å; H573-I577 PolarHBondContact O-N 3.3Å; H573-I577 VanDerWaalsContact O-N 3.12Å; Q574-I577 PolarHBondContact O-N 3.3Å; Q574-I577 VanDerWaalsContact O-N 3.1Å; H575-I577 VanDerWaalsContact C-N 3.33Å; H575-I577 PolarHBondContact O-N 3.48Å; I577-P580 WeakPolarHBondContact O-CD 3.05Å
578Y80.8Confident71.3Confident170 Ų17082.8 Ų82.867%0.66740%0.396SS*.Hα-helixtrans-83-28.2-173.7-70.4-61.3000113Q574 P580Q574-Y578 HydrophobicContact CB-CD2 3.97Å; Q574-Y578 HydrophobicContact CB-CE2 3.96Å; Q574-Y578 HydrophobicContact CG-CE2 4.22Å; Q574-Y578 WeakPolarHBondContact O-CB 3.09Å; Q574-Y578 WeakPolarHBondContact O-CD2 3.49Å; Q574-Y578 PolarHBondContact O-N 3.2Å; Y578-P580 WeakPolarHBondContact O-CD 3.24Å
579N73.6Confident69Low91 Ų9188.5 Ų88.549%0.48743%0.43SS..SBendtrans-124.359.6176.3-60.5-62.4000110.9H575 Y581H575-N579 PolarHBondContact O-N 2.93Å; N579-Y581 PolarHBondContact O-N 3.36Å
580P65.8Low67.9Low75 Ų7592.9 Ų92.949%0.48745%0.452SS..  trans-68.3107.9175.830.7-30.5000106.7I576 I577 Y578I576-P580 WeakPolarHBondContact O-CA 3.42Å; I577-P580 WeakPolarHBondContact O-CD 3.05Å; Y578-P580 WeakPolarHBondContact O-CD 3.24Å
581Y55.4Low66.8Low182 Ų18297.3 Ų97.371%0.71447%0.473SS*.  trans69.4104.7172.8-49.9-85.5000117N579 I586N579-Y581 PolarHBondContact O-N 3.36Å; Y581-I586 HydrophobicContact CD1-CD1 4.16Å; Y581-I586 HydrophobicContact CE1-CD1 3.97Å
582L53.7Low65.7Low130 Ų13099.7 Ų99.768%0.68149%0.485SS*.  trans-139.70.7148.7-99.9170.6000115.2
583N48.5Very low64.3Low83 Ų83105.5 Ų105.544%0.44451%0.513SS..  trans-122.8137-178.8-96.4-32.5000114.1N536 N585N536-N583 PolarHBondContact OD1-ND2 2.97Å; N536-N583 VanDerWaalsContact OD1-ND2 3.08Å; N583-N585 PolarHBondContact O-N 2.8Å
584K53Low62.8Low180 Ų180108.6 Ų108.678%0.78353%0.529SS*.G310 helixtrans-56.6-4.7177.9-69.2178175.61780114.9I586K584-I586 PolarHBondContact O-N 2.9Å
585N49.9Very low61.2Low67 Ų67111.9 Ų111.936%0.35855%0.546SS..G310 helixtrans-72.2-27.2-170.1-69.9-13.2000114.2N583 F587 N588N583-N585 PolarHBondContact O-N 2.8Å; N585-F587 VanDerWaalsContact C-N 3.28Å; N585-F587 PolarHBondContact O-N 3.03Å; N585-N588 PolarHBondContact O-N 3.45Å
586I48.5Very low59.6Low65 Ų65116.3 Ų116.333%0.33357%0.568SS.*G310 helixtrans-65.4-32.1-179.6-69.2172.2000111.7Y581 K584 N588Y581-I586 HydrophobicContact CD1-CD1 4.16Å; Y581-I586 HydrophobicContact CE1-CD1 3.97Å; K584-I586 PolarHBondContact O-N 2.9Å; I586-N588 PolarHBondContact O-N 2.99Å
587F48.8Very low57.6Low186 Ų186121.9 Ų121.982%0.81660%0.595SS**G310 helixtrans-75.3-10179.4-70.1-75.6000114.1N585N585-F587 VanDerWaalsContact C-N 3.28Å; N585-F587 PolarHBondContact O-N 3.03Å
588N46.1Very low55.5Low141 Ų141124.1 Ų124.175%0.75460%0.604SS**G310 helixtrans-97.6-7.7179.8-78.5-7.6000113.7N585 I586N585-N588 PolarHBondContact O-N 3.45Å; I586-N588 PolarHBondContact O-N 2.99Å
589V41.6Very low53.2Low119 Ų119119.9 Ų119.972%0.72160%0.598SS**  trans-99.20175.4-175.90000108.2V530V530-V589 HydrophobicContact CG2-CG1 4.28Å

Retrieved 589 of 589 residues in 616.9 ms (Link to these results)

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