A0A096N5D2_PAPAN Loading...

Receptor expression-enhancing protein

Plays an essential role in heart function and development by regulating the organization and function of the sarcoplasmic reticulum in cardiomyocytes.

AlphaFold DB (Q00765), UniProt , Accession A0A096N5D2, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 189 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
1M49.5Very low64.4Low130 Ų130103.5 Ų103.564%0.6451%0.512SS*.  0109.10-86.5-178.6-16900108.5M5 R6 L39M1-M5 HydrophobicContact CB-SD 4.48Å; M1-M5 HydrophobicContact CG-CG 4.2Å; M1-M5 HydrophobicContact CG-SD 3.81Å; M1-R6 HydrophobicContact CB-CG 3.98Å; M1-R6 HydrophobicContact SD-CG 3.92Å; M1-L39 HydrophobicContact CE-CD2 4.49Å
2S62.4Low64.6Low78 Ų78101.4 Ų101.455%0.54550%0.498SS..  trans-58.3150.916851.60000109.6A4 M5 R6S2-A4 PolarHBondContact O-N 3.27Å; S2-A4 VanDerWaalsContact O-N 3.14Å; S2-M5 WeakPolarHBondContact O-CB 3.34Å; S2-M5 PolarHBondContact O-N 3.36Å; S2-R6 PolarHBondContact O-N 3.3Å
3A69.7Low64.4Low72 Ų7294.6 Ų94.660%0.59547%0.465SS*.Hα-helixtrans-50.7-40.6-179.800000112.1M5 R6 E7A3-M5 VanDerWaalsContact C-N 3.3Å; A3-M5 PolarHBondContact O-N 3.19Å; A3-R6 PolarHBondContact O-N 3.2Å; A3-R6 VanDerWaalsContact O-N 3.13Å; A3-E7 PolarHBondContact O-N 3.39Å
4A66.9Low64.3Low57 Ų5795.8 Ų95.847%0.47147%0.469SS..Hα-helixtrans-59.1-34.6175.100000114.3S2 R8S2-A4 PolarHBondContact O-N 3.27Å; S2-A4 VanDerWaalsContact O-N 3.14Å; A4-R8 WeakPolarHBondContact O-CB 3.48Å; A4-R8 VanDerWaalsContact O-CG 3.31Å; A4-R8 WeakPolarHBondContact O-CG 3.28Å; A4-R8 PolarHBondContact O-N 3.42Å; A4-R8 VanDerWaalsContact O-N 3.1Å
5M58Low64.4Low108 Ų10896 Ų9653%0.53247%0.468SS..Hα-helixtrans-72.4-37.1177.3-174.7175.3-80.600111.3M1 S2 A3 F9M1-M5 HydrophobicContact CB-SD 4.48Å; M1-M5 HydrophobicContact CG-CG 4.2Å; M1-M5 HydrophobicContact CG-SD 3.81Å; S2-M5 WeakPolarHBondContact O-CB 3.34Å; S2-M5 PolarHBondContact O-N 3.36Å; A3-M5 VanDerWaalsContact C-N 3.3Å; A3-M5 PolarHBondContact O-N 3.19Å; M5-F9 WeakPolarHBondContact O-CB 3.28Å; M5-F9 PolarHBondContact O-N 3.07Å
6R64.4Low64Low152 Ų152102.4 Ų102.457%0.57449%0.493SS*.Hα-helixtrans-65-48.1174-70.6178.8176.1-104.32.9110.9M1 S2 A3 R8 F9 D10M1-R6 HydrophobicContact CB-CG 3.98Å; M1-R6 HydrophobicContact SD-CG 3.92Å; S2-R6 PolarHBondContact O-N 3.3Å; A3-R6 PolarHBondContact O-N 3.2Å; A3-R6 VanDerWaalsContact O-N 3.13Å; R6-R8 VanDerWaalsContact C-N 3.32Å; R6-R8 PolarHBondContact O-N 3.14Å; R6-F9 PolarHBondContact O-N 3.03Å; R6-F9 VanDerWaalsContact O-N 3.17Å; R6-D10 WeakPolarHBondContact O-CB 3.48Å; R6-D10 PolarHBondContact O-N 2.96Å
7E69.7Low64.1Low124 Ų12498.6 Ų98.658%0.57948%0.476SS*.Hα-helixtrans-60.6-39.6178.9-72.8178.9-18000112.9A3 R11A3-E7 PolarHBondContact O-N 3.39Å; E7-R11 VanDerWaalsContact O-CB 3.3Å; E7-R11 WeakPolarHBondContact O-CB 3.39Å; E7-R11 PolarHBondContact O-N 3.19Å
8R67.2Low64.1Low129 Ų12999.2 Ų99.249%0.48749%0.491SS..Hα-helixtrans-66-44.2175-77.5179.7176.9-160.90112A4 R6 R11 F12 S128A4-R8 WeakPolarHBondContact O-CB 3.48Å; A4-R8 VanDerWaalsContact O-CG 3.31Å; A4-R8 WeakPolarHBondContact O-CG 3.28Å; A4-R8 PolarHBondContact O-N 3.42Å; A4-R8 VanDerWaalsContact O-N 3.1Å; R6-R8 VanDerWaalsContact C-N 3.32Å; R6-R8 PolarHBondContact O-N 3.14Å; R8-R11 PolarHBondContact O-N 3.42Å; R8-F12 WeakPolarHBondContact O-CB 3.41Å; R8-F12 PolarHBondContact O-N 3.34Å; R8-S128 PolarHBondContact NH1-OG 3.09Å
9F66.3Low64.3Low52 Ų52101.3 Ų101.323%0.22850%0.501CS..Hα-helixtrans-62.6-46.5177.2-174.3-110.2000110.7M5 R6 R11 F12 L13 A38 I42M5-F9 WeakPolarHBondContact O-CB 3.28Å; M5-F9 PolarHBondContact O-N 3.07Å; R6-F9 PolarHBondContact O-N 3.03Å; R6-F9 VanDerWaalsContact O-N 3.17Å; F9-R11 VanDerWaalsContact C-N 3.34Å; F9-R11 PolarHBondContact O-N 3.47Å; F9-F12 PolarHBondContact O-N 2.97Å; F9-L13 HydrophobicContact CD1-CD1 3.78Å; F9-L13 HydrophobicContact CD1-CG 4.3Å; F9-L13 HydrophobicContact CE1-CD1 3.41Å; F9-L13 VanDerWaalsContact CE1-CD1 3.41Å; F9-L13 HydrophobicContact CE1-CG 4.1Å; F9-L13 HydrophobicContact CZ-CD1 3.91Å; F9-L13 HydrophobicContact CZ-CD2 4.26Å; F9-L13 HydrophobicContact CZ-CG 4.23Å; F9-L13 VanDerWaalsContact O-CG 3.32Å; F9-L13 WeakPolarHBondContact O-CG 3.37Å; F9-L13 PolarHBondContact O-N 3.28Å; F9-A38 HydrophobicContact CE1-CB 4.33Å; F9-A38 HydrophobicContact CZ-CB 4.04Å; F9-I42 HydrophobicContact CE2-CD1 4.12Å; F9-I42 HydrophobicContact CZ-CD1 3.86Å
10D65.5Low64.6Low57 Ų5797 Ų9731%0.30548%0.48SS..Hα-helixtrans-61.8-41.3176.3-73.8-27.9000111.4R6 F12 L13 H14 S35R6-D10 WeakPolarHBondContact O-CB 3.48Å; R6-D10 PolarHBondContact O-N 2.96Å; D10-F12 PolarHBondContact O-N 2.99Å; D10-L13 PolarHBondContact O-N 3.42Å; D10-H14 WeakPolarHBondContact O-CB 3.35Å; D10-H14 PolarHBondContact O-CD2 2.93Å; D10-H14 PolarHBondContact O-N 2.94Å; D10-S35 PolarHBondContact OD1-OG 3.46Å
11R69.3Low65.1Low180 Ų18097 Ų9768%0.67948%0.482SS*.Hα-helixtrans-60.2-44.6174.8-169.2-176.9-61.1174.50.2112.1E7 R8 F9 L13 H14 E15E7-R11 VanDerWaalsContact O-CB 3.3Å; E7-R11 WeakPolarHBondContact O-CB 3.39Å; E7-R11 PolarHBondContact O-N 3.19Å; R8-R11 PolarHBondContact O-N 3.42Å; F9-R11 VanDerWaalsContact C-N 3.34Å; F9-R11 PolarHBondContact O-N 3.47Å; R11-L13 VanDerWaalsContact C-N 3.32Å; R11-L13 PolarHBondContact O-N 3.46Å; R11-H14 CarbonylContact O-C 3.58Å; R11-H14 PolarHBondContact O-N 3.5Å; R11-H14 VanDerWaalsContact O-N 3.12Å; R11-E15 PolarHBondContact O-N 3.3Å; R11-E15 VanDerWaalsContact O-N 3.14Å
12F66.8Low66.4Low78 Ų7895.6 Ų95.634%0.34248%0.477SS..Hα-helixtrans-64.2-37.5176.5-174.7-101.9000112R8 F9 D10 H14 E15 P127R8-F12 WeakPolarHBondContact O-CB 3.41Å; R8-F12 PolarHBondContact O-N 3.34Å; F9-F12 PolarHBondContact O-N 2.97Å; D10-F12 PolarHBondContact O-N 2.99Å; F12-H14 PolarHBondContact O-N 3.45Å; F12-E15 PolarHBondContact O-N 2.99Å; F12-P127 HydrophobicContact CD2-CG 3.86Å; F12-P127 HydrophobicContact CE2-CG 3.84Å
13L61.6Low67.1Low13 Ų1392.7 Ų92.77%0.06846%0.455CS..Hα-helixtrans-70.6-15.8174.1-68.3-175.4000114F9 D10 R11 T20 L23 R34 A38F9-L13 HydrophobicContact CD1-CD1 3.78Å; F9-L13 HydrophobicContact CD1-CG 4.3Å; F9-L13 HydrophobicContact CE1-CD1 3.41Å; F9-L13 VanDerWaalsContact CE1-CD1 3.41Å; F9-L13 HydrophobicContact CE1-CG 4.1Å; F9-L13 HydrophobicContact CZ-CD1 3.91Å; F9-L13 HydrophobicContact CZ-CD2 4.26Å; F9-L13 HydrophobicContact CZ-CG 4.23Å; F9-L13 VanDerWaalsContact O-CG 3.32Å; F9-L13 WeakPolarHBondContact O-CG 3.37Å; F9-L13 PolarHBondContact O-N 3.28Å; D10-L13 PolarHBondContact O-N 3.42Å; R11-L13 VanDerWaalsContact C-N 3.32Å; R11-L13 PolarHBondContact O-N 3.46Å; L13-T20 WeakPolarHBondContact O-CB 3.46Å; L13-T20 WeakPolarHBondContact O-CG2 3.3Å; L13-L23 HydrophobicContact CD2-CD1 3.67Å; L13-R34 HydrophobicContact CB-CG 4.31Å; L13-R34 HydrophobicContact CD1-CG 4.11Å; L13-A38 HydrophobicContact CD1-CB 3.82Å; L13-A38 HydrophobicContact CD2-CB 3.87Å
14H62.6Low67.3Low111 Ų11191.2 Ų91.251%0.51444%0.443SS..THydrogen-bonded Turntrans-100-5.2177-86.3-76.4000113.6D10 R11 F12 R34D10-H14 WeakPolarHBondContact O-CB 3.35Å; D10-H14 PolarHBondContact O-CD2 2.93Å; D10-H14 PolarHBondContact O-N 2.94Å; R11-H14 CarbonylContact O-C 3.58Å; R11-H14 PolarHBondContact O-N 3.5Å; R11-H14 VanDerWaalsContact O-N 3.12Å; F12-H14 PolarHBondContact O-N 3.45Å; H14-R34 PolarHBondContact CD2-NE 3.4Å; H14-R34 PolarHBondContact CE1-NE 2.88Å; H14-R34 PolarHBondContact CE1-NH1 3.12Å; H14-R34 VanDerWaalsContact CE1-NH1 3.27Å; H14-R34 PolarHBondContact CE1-NH2 2.82Å; H14-R34 PolarHBondContact ND1-NH1 2.96Å; H14-R34 PolarHBondContact NE2-NE 2.92Å; H14-R34 PolarHBondContact NE2-NH2 3.39Å
15E66.1Low68Low99 Ų9995.9 Ų95.946%0.46345%0.452SS..SBendtrans-78127.3179.5-167.3167.8-158.700110.3R11 F12 N17 T20R11-E15 PolarHBondContact O-N 3.3Å; R11-E15 VanDerWaalsContact O-N 3.14Å; F12-E15 PolarHBondContact O-N 2.99Å; E15-N17 VanDerWaalsContact C-N 3.35Å; E15-N17 PolarHBondContact O-N 3Å; E15-N17 PolarHBondContact O-ND2 3.43Å; E15-T20 WeakPolarHBondContact O-CB 3.26Å; E15-T20 WeakPolarHBondContact O-CG2 3.34Å; E15-T20 PolarHBondContact O-OG1 3.21Å
16K58.3Low69Low198 Ų19893.6 Ų93.686%0.86144%0.442SS*.SBendtrans-61.288.4-172.2-70.7-172.7178.7-177.70112.7
17N65Low69.9Low38 Ų3888.6 Ų88.620%0.20343%0.425CS..SBendtrans-130155.8177.4-69.6-53.1000110.2E15 M19 T20 D21E15-N17 VanDerWaalsContact C-N 3.35Å; E15-N17 PolarHBondContact O-N 3Å; E15-N17 PolarHBondContact O-ND2 3.43Å; N17-M19 PolarHBondContact O-N 3.4Å; N17-M19 VanDerWaalsContact O-N 3.12Å; N17-T20 HydrophobicContact CB-CG2 4.32Å; N17-T20 PolarHBondContact N-OG1 2.98Å; N17-T20 WeakPolarHBondContact O-CA 3.47Å; N17-T20 PolarHBondContact O-N 3.29Å; N17-T20 PolarHBondContact O-OG1 3.29Å; N17-D21 PolarHBondContact O-N 3.42Å
18C65.4Low70.5Confident110 Ų11087 Ų8774%0.74343%0.433SS*.Hα-helixtrans-51.9-39.3178.2-179.80000112.5D21 L22C18-D21 PolarHBondContact O-N 2.87Å; C18-L22 PolarHBondContact O-N 2.97Å
19M67.2Low71.3Confident139 Ų13989.6 Ų89.669%0.68545%0.448SS*.Hα-helixtrans-59.5-44.4173-80.7-83.1168.600112.3N17 L22 L23N17-M19 PolarHBondContact O-N 3.4Å; N17-M19 VanDerWaalsContact O-N 3.12Å; M19-L22 PolarHBondContact O-N 2.93Å; M19-L23 WeakPolarHBondContact O-CG 3.37Å; M19-L23 PolarHBondContact O-N 3.37Å
20T69.6Low72Confident15 Ų1590.9 Ų90.99%0.09246%0.46CS..Hα-helixtrans-71.9-32.5-179.764.70000112.8L13 E15 N17 L22 L23 A24L13-T20 WeakPolarHBondContact O-CB 3.46Å; L13-T20 WeakPolarHBondContact O-CG2 3.3Å; E15-T20 WeakPolarHBondContact O-CB 3.26Å; E15-T20 WeakPolarHBondContact O-CG2 3.34Å; E15-T20 PolarHBondContact O-OG1 3.21Å; N17-T20 HydrophobicContact CB-CG2 4.32Å; N17-T20 PolarHBondContact N-OG1 2.98Å; N17-T20 WeakPolarHBondContact O-CA 3.47Å; N17-T20 PolarHBondContact O-N 3.29Å; N17-T20 PolarHBondContact O-OG1 3.29Å; T20-L22 VanDerWaalsContact C-N 3.33Å; T20-L23 PolarHBondContact O-N 2.88Å; T20-A24 VanDerWaalsContact O-CB 3.24Å; T20-A24 WeakPolarHBondContact O-CB 3.41Å; T20-A24 PolarHBondContact O-N 2.89Å
21D76.5Confident72.6Confident96 Ų9691.5 Ų91.551%0.51348%0.48SS..Hα-helixtrans-66.8-38.6172.9-76.1-25.6000111.1N17 C18 A24 K25N17-D21 PolarHBondContact O-N 3.42Å; C18-D21 PolarHBondContact O-N 2.87Å; D21-A24 PolarHBondContact O-N 3.4Å; D21-K25 WeakPolarHBondContact O-CB 3.43Å; D21-K25 WeakPolarHBondContact O-CG 3.44Å; D21-K25 PolarHBondContact O-N 2.74Å
22L76.7Confident73Confident102 Ų10286.1 Ų86.153%0.53447%0.467SS..Hα-helixtrans-67.2-43.4174.7-166.3126.1000111.1C18 M19 T20 A24 K25 L26C18-L22 PolarHBondContact O-N 2.97Å; M19-L22 PolarHBondContact O-N 2.93Å; T20-L22 VanDerWaalsContact C-N 3.33Å; L22-A24 VanDerWaalsContact C-N 3.34Å; L22-A24 PolarHBondContact O-N 2.77Å; L22-K25 PolarHBondContact O-N 2.95Å; L22-L26 HydrophobicContact CD2-CD1 3.87Å; L22-L26 WeakPolarHBondContact O-CG 3.38Å; L22-L26 PolarHBondContact O-N 2.86Å
23L75.5Confident73.7Confident17 Ų1787.2 Ų87.29%0.08948%0.477CS..Hα-helixtrans-62.8-39.1173.8-72.4172.8000112.1L13 M19 T20 L26 E27 I37 A38L13-L23 HydrophobicContact CD2-CD1 3.67Å; M19-L23 WeakPolarHBondContact O-CG 3.37Å; M19-L23 PolarHBondContact O-N 3.37Å; T20-L23 PolarHBondContact O-N 2.88Å; L23-L26 PolarHBondContact O-N 3.41Å; L23-E27 WeakPolarHBondContact O-CB 3.33Å; L23-E27 PolarHBondContact O-N 2.85Å; L23-I37 HydrophobicContact CD2-CB 4.24Å; L23-I37 HydrophobicContact CD2-CG2 3.7Å; L23-A38 HydrophobicContact CD1-CB 4.21Å; L23-A38 HydrophobicContact CD2-CB 4.37Å
24A75.5Confident74.5Confident40 Ų4089 Ų8933%0.33148%0.483SS..Hα-helixtrans-67-38.5176.100000111.9T20 D21 L22 L26 E27 A28T20-A24 VanDerWaalsContact O-CB 3.24Å; T20-A24 WeakPolarHBondContact O-CB 3.41Å; T20-A24 PolarHBondContact O-N 2.89Å; D21-A24 PolarHBondContact O-N 3.4Å; L22-A24 VanDerWaalsContact C-N 3.34Å; L22-A24 PolarHBondContact O-N 2.77Å; A24-L26 VanDerWaalsContact C-N 3.34Å; A24-E27 PolarHBondContact O-N 3.34Å; A24-A28 VanDerWaalsContact O-CB 3.32Å; A24-A28 WeakPolarHBondContact O-CB 3.37Å; A24-A28 PolarHBondContact O-N 3.46Å
25K80.7Confident75.1Confident156 Ų15685 Ų8568%0.67847%0.467SS*.Hα-helixtrans-63.9-39.2171.6-76.9175.7-177.8176.30112D21 L22 K29D21-K25 WeakPolarHBondContact O-CB 3.43Å; D21-K25 WeakPolarHBondContact O-CG 3.44Å; D21-K25 PolarHBondContact O-N 2.74Å; L22-K25 PolarHBondContact O-N 2.95Å; K25-K29 WeakPolarHBondContact O-CB 3.22Å; K25-K29 PolarHBondContact O-N 3.42Å
26L79.6Confident75.8Confident60 Ų6086.9 Ų86.931%0.31447%0.474SS..Hα-helixtrans-69.7-41.9175.7-69.7173.6000111.6L22 L23 A24 K29 T30 I37L22-L26 HydrophobicContact CD2-CD1 3.87Å; L22-L26 WeakPolarHBondContact O-CG 3.38Å; L22-L26 PolarHBondContact O-N 2.86Å; L23-L26 PolarHBondContact O-N 3.41Å; A24-L26 VanDerWaalsContact C-N 3.34Å; L26-K29 PolarHBondContact O-N 3.19Å; L26-T30 WeakPolarHBondContact O-CB 3.45Å; L26-T30 WeakPolarHBondContact O-CG2 3.45Å; L26-T30 PolarHBondContact O-N 2.98Å; L26-T30 PolarHBondContact O-OG1 2.75Å; L26-I37 HydrophobicContact CB-CD1 3.93Å; L26-I37 HydrophobicContact CB-CG2 4.28Å; L26-I37 HydrophobicContact CD1-CG2 3.94Å
27E82.2Confident76.8Confident46 Ų4678.6 Ų78.622%0.21544%0.439CS..Hα-helixtrans-57-49.3172.7178.3177.6-168.400110.2L23 A24 K29 T30 G31 R34 I37L23-E27 WeakPolarHBondContact O-CB 3.33Å; L23-E27 PolarHBondContact O-N 2.85Å; A24-E27 PolarHBondContact O-N 3.34Å; E27-K29 VanDerWaalsContact C-N 3.3Å; E27-K29 PolarHBondContact O-N 3.41Å; E27-T30 PolarHBondContact O-N 2.97Å; E27-G31 WeakPolarHBondContact O-CA 3.31Å; E27-G31 PolarHBondContact O-N 2.87Å; E27-R34 IonicContact OE1-CZ 2.56Å; E27-R34 IonicContact OE1-NH2 3.4Å; E27-R34 PolarHBondContact OE1-NH2 2.92Å; E27-R34 IonicContact OE2-CZ 3.19Å; E27-R34 IonicContact OE2-NH1 3.89Å; E27-R34 PolarHBondContact OE2-NH1 3.4Å; E27-R34 VanDerWaalsContact OE2-NH1 3.15Å; E27-R34 IonicContact OE2-NH2 2.6Å; E27-I37 HydrophobicContact CB-CD1 4.46Å
28A82.6Confident77.4Confident90 Ų9077.1 Ų77.174%0.74443%0.431SS*.Hα-helixtrans-63.1-33.1178.300000113.4A24A24-A28 VanDerWaalsContact O-CB 3.32Å; A24-A28 WeakPolarHBondContact O-CB 3.37Å; A24-A28 PolarHBondContact O-N 3.46Å
29K84.4Confident78.1Confident184 Ų18475.6 Ų75.680%0.842%0.416SS*.Hα-helixtrans-85.3-34.3-178.3-168.2173.5-177.8-178.70113.5K25 L26 E27K25-K29 WeakPolarHBondContact O-CB 3.22Å; K25-K29 PolarHBondContact O-N 3.42Å; L26-K29 PolarHBondContact O-N 3.19Å; E27-K29 VanDerWaalsContact C-N 3.3Å; E27-K29 PolarHBondContact O-N 3.41Å
30T81Confident78.9Confident79 Ų7971.1 Ų71.149%0.48541%0.405SS..Hα-helixtrans-100.2-19.3-174.162.30000113.3L26 E27 V32L26-T30 WeakPolarHBondContact O-CB 3.45Å; L26-T30 WeakPolarHBondContact O-CG2 3.45Å; L26-T30 PolarHBondContact O-N 2.98Å; L26-T30 PolarHBondContact O-OG1 2.75Å; E27-T30 PolarHBondContact O-N 2.97Å; T30-V32 PolarHBondContact O-N 2.94Å; T30-V32 PolarHBondContact OG1-N 3.49Å
31G78.5Confident79.4Confident71 Ų7173.8 Ų73.873%0.73242%0.421SS*.  trans70.35.3-172.800000113.9E27E27-G31 WeakPolarHBondContact O-CA 3.31Å; E27-G31 PolarHBondContact O-N 2.87Å
32V78.1Confident79.6Confident67 Ų6773.4 Ų73.441%0.40642%0.418SS..  trans-92.2135.3-179.5-179.30000109.3T30 R34 F36 I37T30-V32 PolarHBondContact O-N 2.94Å; T30-V32 PolarHBondContact OG1-N 3.49Å; V32-R34 PolarHBondContact O-N 3.48Å; V32-F36 HydrophobicContact CG1-CB 3.88Å; V32-I37 HydrophobicContact CB-CD1 4.23Å; V32-I37 HydrophobicContact CB-CG1 4.11Å; V32-I37 HydrophobicContact CG1-CG1 4.02Å; V32-I37 WeakPolarHBondContact O-CD1 3.38Å
33N81.2Confident79.9Confident101 Ų10170.4 Ų70.454%0.5441%0.412SS..  trans-54.2137.7178.5-68.6-62.5000111.6S35 F36 I37N33-S35 PolarHBondContact O-N 3.08Å; N33-F36 HydrophobicContact CB-CD2 4.13Å; N33-F36 PolarHBondContact O-N 3.28Å; N33-I37 PolarHBondContact O-N 2.94Å
34R77.1Confident80.2Confident51 Ų5175.3 Ų75.319%0.19244%0.437CS..Hα-helixtrans-45.7-38179.576.1-175.8100-104.8-22.6113.7L13 H14 E27 V32 I37 A38L13-R34 HydrophobicContact CB-CG 4.31Å; L13-R34 HydrophobicContact CD1-CG 4.11Å; H14-R34 PolarHBondContact CD2-NE 3.4Å; H14-R34 PolarHBondContact CE1-NE 2.88Å; H14-R34 PolarHBondContact CE1-NH1 3.12Å; H14-R34 VanDerWaalsContact CE1-NH1 3.27Å; H14-R34 PolarHBondContact CE1-NH2 2.82Å; H14-R34 PolarHBondContact ND1-NH1 2.96Å; H14-R34 PolarHBondContact NE2-NE 2.92Å; H14-R34 PolarHBondContact NE2-NH2 3.39Å; E27-R34 IonicContact OE1-CZ 2.56Å; E27-R34 IonicContact OE1-NH2 3.4Å; E27-R34 PolarHBondContact OE1-NH2 2.92Å; E27-R34 IonicContact OE2-CZ 3.19Å; E27-R34 IonicContact OE2-NH1 3.89Å; E27-R34 PolarHBondContact OE2-NH1 3.4Å; E27-R34 VanDerWaalsContact OE2-NH1 3.15Å; E27-R34 IonicContact OE2-NH2 2.6Å; V32-R34 PolarHBondContact O-N 3.48Å; R34-I37 PolarHBondContact O-N 2.82Å; R34-A38 WeakPolarHBondContact O-CB 3.23Å; R34-A38 PolarHBondContact O-N 3.49Å
35S75.5Confident80.3Confident27 Ų2775.6 Ų75.619%0.18944%0.435CS..Hα-helixtrans-70-35.7-174.1-39.90000111.7D10 N33 L39D10-S35 PolarHBondContact OD1-OG 3.46Å; N33-S35 PolarHBondContact O-N 3.08Å; S35-L39 WeakPolarHBondContact O-CB 3.37Å; S35-L39 WeakPolarHBondContact O-CG 3.36Å; S35-L39 PolarHBondContact O-N 3.36Å
36F80.6Confident80Confident137 Ų13769.3 Ų69.360%0.60141%0.412SS*.Hα-helixtrans-72.8-38.9174.3-73.4-72.2000111.8V32 N33 L39 G40V32-F36 HydrophobicContact CG1-CB 3.88Å; N33-F36 HydrophobicContact CB-CD2 4.13Å; N33-F36 PolarHBondContact O-N 3.28Å; F36-L39 PolarHBondContact O-N 2.9Å; F36-G40 PolarHBondContact O-N 3.47Å
37I79.6Confident79.9Confident25 Ų2571.3 Ų71.313%0.12842%0.423CS..Hα-helixtrans-61.5-48.6174.4-59175.9000109.4L23 L26 E27 V32 N33 R34 L39 G40 V41L23-I37 HydrophobicContact CD2-CB 4.24Å; L23-I37 HydrophobicContact CD2-CG2 3.7Å; L26-I37 HydrophobicContact CB-CD1 3.93Å; L26-I37 HydrophobicContact CB-CG2 4.28Å; L26-I37 HydrophobicContact CD1-CG2 3.94Å; E27-I37 HydrophobicContact CB-CD1 4.46Å; V32-I37 HydrophobicContact CB-CD1 4.23Å; V32-I37 HydrophobicContact CB-CG1 4.11Å; V32-I37 HydrophobicContact CG1-CG1 4.02Å; V32-I37 WeakPolarHBondContact O-CD1 3.38Å; N33-I37 PolarHBondContact O-N 2.94Å; R34-I37 PolarHBondContact O-N 2.82Å; I37-L39 PolarHBondContact O-N 3.31Å; I37-G40 PolarHBondContact O-N 3.48Å; I37-G40 VanDerWaalsContact O-N 3.16Å; I37-V41 HydrophobicContact CG2-CG2 4.34Å; I37-V41 WeakPolarHBondContact O-CG2 3.47Å; I37-V41 PolarHBondContact O-N 2.86Å
38A78.1Confident79.7Confident6 Ų674.2 Ų74.25%0.0543%0.433CS..Hα-helixtrans-58.8-45.6177.300000111.7F9 L13 L23 R34 G40 V41 I42F9-A38 HydrophobicContact CE1-CB 4.33Å; F9-A38 HydrophobicContact CZ-CB 4.04Å; L13-A38 HydrophobicContact CD1-CB 3.82Å; L13-A38 HydrophobicContact CD2-CB 3.87Å; L23-A38 HydrophobicContact CD1-CB 4.21Å; L23-A38 HydrophobicContact CD2-CB 4.37Å; R34-A38 WeakPolarHBondContact O-CB 3.23Å; R34-A38 PolarHBondContact O-N 3.49Å; A38-G40 VanDerWaalsContact C-N 3.34Å; A38-G40 PolarHBondContact O-N 3.24Å; A38-V41 PolarHBondContact O-N 2.94Å; A38-I42 WeakPolarHBondContact O-CB 3.49Å; A38-I42 WeakPolarHBondContact O-CD1 3.26Å; A38-I42 WeakPolarHBondContact O-CG1 3.23Å; A38-I42 PolarHBondContact O-N 3.24Å
39L80Confident79Confident79 Ų7970.3 Ų70.341%0.41440%0.399SS..Hα-helixtrans-62.9-39.2175.6-74.8171.5000112.5M1 S35 F36 I37 I42 G43M1-L39 HydrophobicContact CE-CD2 4.49Å; S35-L39 WeakPolarHBondContact O-CB 3.37Å; S35-L39 WeakPolarHBondContact O-CG 3.36Å; S35-L39 PolarHBondContact O-N 3.36Å; F36-L39 PolarHBondContact O-N 2.9Å; I37-L39 PolarHBondContact O-N 3.31Å; L39-I42 PolarHBondContact O-N 2.99Å; L39-G43 PolarHBondContact O-N 3.15Å
40G83.2Confident78.3Confident44 Ų4463.8 Ų63.845%0.45437%0.374SS..Hα-helixtrans-64.2-45.317500000112.2F36 I37 A38 G43 L44F36-G40 PolarHBondContact O-N 3.47Å; I37-G40 PolarHBondContact O-N 3.48Å; I37-G40 VanDerWaalsContact O-N 3.16Å; A38-G40 VanDerWaalsContact C-N 3.34Å; A38-G40 PolarHBondContact O-N 3.24Å; G40-G43 PolarHBondContact O-N 3.33Å; G40-L44 WeakPolarHBondContact O-CB 3.29Å; G40-L44 PolarHBondContact O-N 3.11Å
41V81.9Confident77.6Confident71 Ų7167.6 Ų67.643%0.4339%0.385SS..Hα-helixtrans-62.2-46.8174.8172.60000110.7I37 A38 G43 L44 V45I37-V41 HydrophobicContact CG2-CG2 4.34Å; I37-V41 WeakPolarHBondContact O-CG2 3.47Å; I37-V41 PolarHBondContact O-N 2.86Å; A38-V41 PolarHBondContact O-N 2.94Å; V41-G43 VanDerWaalsContact C-N 3.31Å; V41-G43 PolarHBondContact O-N 2.92Å; V41-L44 PolarHBondContact O-N 3.13Å; V41-V45 HydrophobicContact CG1-CG2 4.29Å; V41-V45 WeakPolarHBondContact O-CB 3.49Å; V41-V45 VanDerWaalsContact O-CG2 3.24Å; V41-V45 WeakPolarHBondContact O-CG2 3.25Å; V41-V45 PolarHBondContact O-N 3.17Å
42I80.8Confident77Confident89 Ų8965.2 Ų65.246%0.45636%0.36SS..Hα-helixtrans-60.1-43.1176.3-69.9163.8000110.5F9 A38 L39 V45 A46F9-I42 HydrophobicContact CE2-CD1 4.12Å; F9-I42 HydrophobicContact CZ-CD1 3.86Å; A38-I42 WeakPolarHBondContact O-CB 3.49Å; A38-I42 WeakPolarHBondContact O-CD1 3.26Å; A38-I42 WeakPolarHBondContact O-CG1 3.23Å; A38-I42 PolarHBondContact O-N 3.24Å; L39-I42 PolarHBondContact O-N 2.99Å; I42-V45 PolarHBondContact O-N 3.49Å; I42-A46 VanDerWaalsContact O-CB 3.24Å; I42-A46 WeakPolarHBondContact O-CB 3.43Å; I42-A46 PolarHBondContact O-N 3.49Å
43G81.6Confident76.4Confident39 Ų3973 Ų7340%0.40238%0.383SS..Hα-helixtrans-64.5-42.3177.100000112.8L39 G40 V41 A46 L47L39-G43 PolarHBondContact O-N 3.15Å; G40-G43 PolarHBondContact O-N 3.33Å; V41-G43 VanDerWaalsContact C-N 3.31Å; V41-G43 PolarHBondContact O-N 2.92Å; G43-A46 PolarHBondContact O-N 3.19Å; G43-L47 WeakPolarHBondContact O-CB 3.08Å; G43-L47 PolarHBondContact O-N 2.83Å
44L82.1Confident75.9Confident119 Ų11970 Ų7062%0.62338%0.377SS*.Hα-helixtrans-67.5-43.1176.8-156.7173.8000110.7G40 V41 L47 Y48G40-L44 WeakPolarHBondContact O-CB 3.29Å; G40-L44 PolarHBondContact O-N 3.11Å; V41-L44 PolarHBondContact O-N 3.13Å; L44-L47 PolarHBondContact O-N 3.46Å; L44-Y48 WeakPolarHBondContact O-CB 3.26Å; L44-Y48 PolarHBondContact O-N 3.45Å
45V78.2Confident75.7Confident46 Ų4667.9 Ų67.928%0.27937%0.37SS..Hα-helixtrans-61.4-44.9173.2170.20000110.4V41 I42 L47 Y48 L49 L58V41-V45 HydrophobicContact CG1-CG2 4.29Å; V41-V45 WeakPolarHBondContact O-CB 3.49Å; V41-V45 VanDerWaalsContact O-CG2 3.24Å; V41-V45 WeakPolarHBondContact O-CG2 3.25Å; V41-V45 PolarHBondContact O-N 3.17Å; I42-V45 PolarHBondContact O-N 3.49Å; V45-L47 VanDerWaalsContact C-N 3.33Å; V45-L47 PolarHBondContact O-N 2.93Å; V45-Y48 CarbonylContact O-C 3.56Å; V45-Y48 PolarHBondContact O-N 3.34Å; V45-L49 HydrophobicContact CG1-CD1 4.02Å; V45-L49 HydrophobicContact CG1-CG 4.26Å; V45-L49 WeakPolarHBondContact O-CB 3.24Å; V45-L49 VanDerWaalsContact O-CG 3.22Å; V45-L49 WeakPolarHBondContact O-CG 3.43Å; V45-L49 PolarHBondContact O-N 2.78Å; V45-L58 HydrophobicContact CG1-CD2 4.12Å
46A74.4Confident75.5Confident25 Ų2568.3 Ų68.321%0.20737%0.373CS..Hα-helixtrans-61.8-41.2176.700000111.8I42 G43 L49 V50I42-A46 VanDerWaalsContact O-CB 3.24Å; I42-A46 WeakPolarHBondContact O-CB 3.43Å; I42-A46 PolarHBondContact O-N 3.49Å; G43-A46 PolarHBondContact O-N 3.19Å; A46-L49 PolarHBondContact O-N 2.89Å; A46-V50 WeakPolarHBondContact O-CG2 3.23Å; A46-V50 PolarHBondContact O-N 3.06Å
47L77.3Confident75.3Confident101 Ų10167.3 Ų67.353%0.52937%0.373SS..Hα-helixtrans-63.9-45.4174.6-168.973.1000111.1G43 L44 V45 L49 V50 F51G43-L47 WeakPolarHBondContact O-CB 3.08Å; G43-L47 PolarHBondContact O-N 2.83Å; L44-L47 PolarHBondContact O-N 3.46Å; V45-L47 VanDerWaalsContact C-N 3.33Å; V45-L47 PolarHBondContact O-N 2.93Å; L47-L49 VanDerWaalsContact C-N 3.3Å; L47-L49 PolarHBondContact O-N 2.64Å; L47-V50 PolarHBondContact O-N 3.43Å; L47-V50 VanDerWaalsContact O-N 3.09Å; L47-F51 HydrophobicContact CD1-CD2 3.68Å; L47-F51 HydrophobicContact CD1-CE2 3.46Å; L47-F51 VanDerWaalsContact CD1-CE2 3.46Å; L47-F51 HydrophobicContact CG-CD2 3.94Å; L47-F51 HydrophobicContact CG-CE2 4.24Å; L47-F51 VanDerWaalsContact O-CD2 3.3Å; L47-F51 WeakPolarHBondContact O-CD2 3.18Å; L47-F51 PolarHBondContact O-N 3.42Å
48Y76.9Confident75.2Confident108 Ų10868.8 Ų68.842%0.42438%0.381SS..Hα-helixtrans-63.3-35.9175.7-179.4-98.1000112L44 V45 V50 F51 G52 Y53 L58L44-Y48 WeakPolarHBondContact O-CB 3.26Å; L44-Y48 PolarHBondContact O-N 3.45Å; V45-Y48 CarbonylContact O-C 3.56Å; V45-Y48 PolarHBondContact O-N 3.34Å; Y48-V50 PolarHBondContact O-N 3.47Å; Y48-F51 PolarHBondContact O-N 3.07Å; Y48-G52 WeakPolarHBondContact O-CA 3.19Å; Y48-G52 PolarHBondContact O-N 2.82Å; Y48-Y53 PolarHBondContact OH-O 3.34Å; Y48-L58 HydrophobicContact CD1-CD2 4.1Å; Y48-L58 HydrophobicContact CE1-CD2 4.33Å
49L69.8Low75.1Confident7 Ų768.6 Ų68.64%0.03738%0.379CS..Hα-helixtrans-66.5-23.9174.8-74173.9000112.8V45 A46 L47 A55 L58 C118V45-L49 HydrophobicContact CG1-CD1 4.02Å; V45-L49 HydrophobicContact CG1-CG 4.26Å; V45-L49 WeakPolarHBondContact O-CB 3.24Å; V45-L49 VanDerWaalsContact O-CG 3.22Å; V45-L49 WeakPolarHBondContact O-CG 3.43Å; V45-L49 PolarHBondContact O-N 2.78Å; A46-L49 PolarHBondContact O-N 2.89Å; L47-L49 VanDerWaalsContact C-N 3.3Å; L47-L49 PolarHBondContact O-N 2.64Å; L49-A55 HydrophobicContact CB-CB 4.48Å; L49-A55 HydrophobicContact CD2-CB 3.72Å; L49-A55 WeakPolarHBondContact O-CB 3.39Å; L49-L58 HydrophobicContact CD2-CD2 4.09Å; L49-C118 HydrophobicContact CD1-CB 3.72Å
50V68.3Low75.1Confident47 Ų4767.2 Ų67.229%0.28537%0.372SS..Hα-helixtrans-86.3-41177.6175.10000111.4A46 L47 Y48A46-V50 WeakPolarHBondContact O-CG2 3.23Å; A46-V50 PolarHBondContact O-N 3.06Å; L47-V50 PolarHBondContact O-N 3.43Å; L47-V50 VanDerWaalsContact O-N 3.09Å; Y48-V50 PolarHBondContact O-N 3.47Å
51F67.4Low75Confident160 Ų16070.1 Ų70.170%0.70238%0.377SS*.Hα-helixtrans-106.4-15.9-170.9-67.4-75.8000114.9L47 Y48L47-F51 HydrophobicContact CD1-CD2 3.68Å; L47-F51 HydrophobicContact CD1-CE2 3.46Å; L47-F51 VanDerWaalsContact CD1-CE2 3.46Å; L47-F51 HydrophobicContact CG-CD2 3.94Å; L47-F51 HydrophobicContact CG-CE2 4.24Å; L47-F51 VanDerWaalsContact O-CD2 3.3Å; L47-F51 WeakPolarHBondContact O-CD2 3.18Å; L47-F51 PolarHBondContact O-N 3.42Å; Y48-F51 PolarHBondContact O-N 3.07Å
52G66.2Low74.9Confident20 Ų2069.6 Ų69.621%0.20637%0.371CS..  trans-91.5131.6-169.500000113.9Y48 G54 A55Y48-G52 WeakPolarHBondContact O-CA 3.19Å; Y48-G52 PolarHBondContact O-N 2.82Å; G52-G54 PolarHBondContact O-N 3.2Å; G52-A55 PolarHBondContact O-N 3.32Å
53Y64.4Low74.9Confident230 Ų23065.4 Ų65.490%0.90235%0.35SS*.THydrogen-bonded Turntrans-61.8121.3160.6-70.2-86.4000109Y48Y48-Y53 PolarHBondContact OH-O 3.34Å
54G70.2Confident75Confident39 Ų3969 Ų6940%0.40236%0.355SS..THydrogen-bonded Turntrans108.76.9-179.400000115.8G52 S56 L57 L58G52-G54 PolarHBondContact O-N 3.2Å; G54-S56 PolarHBondContact O-N 3.21Å; G54-L57 PolarHBondContact O-N 3.02Å; G54-L58 PolarHBondContact O-N 2.88Å
55A73Confident75.1Confident6 Ų664.8 Ų64.85%0.0534%0.341CS..Hα-helixtrans-51.7-40175.500000113.3L49 G52 L58 C59 Y114L49-A55 HydrophobicContact CB-CB 4.48Å; L49-A55 HydrophobicContact CD2-CB 3.72Å; L49-A55 WeakPolarHBondContact O-CB 3.39Å; G52-A55 PolarHBondContact O-N 3.32Å; A55-L58 PolarHBondContact O-N 3.44Å; A55-C59 WeakPolarHBondContact O-CB 3.48Å; A55-C59 PolarHBondContact O-N 2.85Å; A55-Y114 HydrophobicContact CB-CD1 4.38Å; A55-Y114 HydrophobicContact CB-CD2 4.22Å; A55-Y114 HydrophobicContact CB-CG 4.02Å
56S71.6Confident75.2Confident36 Ų3665.9 Ų65.925%0.25234%0.34SS..Hα-helixtrans-60.6-46.4175.9-175.20000112.4G54 C59 N60G54-S56 PolarHBondContact O-N 3.21Å; S56-C59 PolarHBondContact O-N 2.83Å; S56-N60 WeakPolarHBondContact O-CB 3.49Å; S56-N60 PolarHBondContact O-N 2.79Å; S56-N60 PolarHBondContact O-ND2 2.76Å
57L76.8Confident75.6Confident116 Ų11664.7 Ų64.761%0.60733%0.33SS*.Hα-helixtrans-64.5-46.4179.5-176.569.2000111.2G54 C59 N60 L61G54-L57 PolarHBondContact O-N 3.02Å; L57-C59 VanDerWaalsContact C-N 3.34Å; L57-C59 PolarHBondContact O-N 3.36Å; L57-N60 PolarHBondContact O-N 2.96Å; L57-L61 HydrophobicContact CD1-CD1 4.38Å; L57-L61 HydrophobicContact CD1-CG 4.37Å; L57-L61 HydrophobicContact CD2-CD1 4.49Å; L57-L61 HydrophobicContact CG-CD1 3.97Å; L57-L61 HydrophobicContact CG-CG 4.34Å; L57-L61 WeakPolarHBondContact O-CB 3.43Å; L57-L61 VanDerWaalsContact O-CG 3.24Å; L57-L61 WeakPolarHBondContact O-CG 3.41Å; L57-L61 PolarHBondContact O-N 2.77Å
58L76.1Confident76Confident56 Ų5660.8 Ų60.829%0.29331%0.313SS..Hα-helixtrans-60.1-46.5178-170.384.6000111.1V45 Y48 L49 G54 A55 L61 I62V45-L58 HydrophobicContact CG1-CD2 4.12Å; Y48-L58 HydrophobicContact CD1-CD2 4.1Å; Y48-L58 HydrophobicContact CE1-CD2 4.33Å; L49-L58 HydrophobicContact CD2-CD2 4.09Å; G54-L58 PolarHBondContact O-N 2.88Å; A55-L58 PolarHBondContact O-N 3.44Å; L58-L61 PolarHBondContact O-N 3.46Å; L58-I62 HydrophobicContact CD2-CD1 4.27Å; L58-I62 HydrophobicContact CG-CD1 3.96Å; L58-I62 VanDerWaalsContact O-CG1 3.32Å; L58-I62 WeakPolarHBondContact O-CG1 3.5Å; L58-I62 PolarHBondContact O-N 2.83Å
59C76.7Confident76.3Confident2 Ų261.8 Ų61.81%0.01432%0.317CS..Hα-helixtrans-61.9-44.2179-170.90000111.5A55 S56 L57 I62 G63A55-C59 WeakPolarHBondContact O-CB 3.48Å; A55-C59 PolarHBondContact O-N 2.85Å; S56-C59 PolarHBondContact O-N 2.83Å; L57-C59 VanDerWaalsContact C-N 3.34Å; L57-C59 PolarHBondContact O-N 3.36Å; C59-I62 PolarHBondContact O-N 2.84Å; C59-G63 PolarHBondContact O-N 3.47Å
60N80Confident76.8Confident50 Ų5062.9 Ų62.927%0.26732%0.322SS..Hα-helixtrans-65.7-41175.8-72.1-18.1000111.9S56 L57 G63 F64 K117S56-N60 WeakPolarHBondContact O-CB 3.49Å; S56-N60 PolarHBondContact O-N 2.79Å; S56-N60 PolarHBondContact O-ND2 2.76Å; L57-N60 PolarHBondContact O-N 2.96Å; N60-G63 PolarHBondContact O-N 3.13Å; N60-F64 WeakPolarHBondContact O-CA 3.46Å; N60-F64 WeakPolarHBondContact O-CB 3.47Å; N60-F64 PolarHBondContact O-N 3.43Å; N60-K117 PolarHBondContact OD1-NZ 3.46Å
61L81.6Confident77.5Confident106 Ų10661 Ų6156%0.55531%0.312SS*.Hα-helixtrans-65.1-39.7177.1-75.1174000112.2L57 L58 G65L57-L61 HydrophobicContact CD1-CD1 4.38Å; L57-L61 HydrophobicContact CD1-CG 4.37Å; L57-L61 HydrophobicContact CD2-CD1 4.49Å; L57-L61 HydrophobicContact CG-CD1 3.97Å; L57-L61 HydrophobicContact CG-CG 4.34Å; L57-L61 WeakPolarHBondContact O-CB 3.43Å; L57-L61 VanDerWaalsContact O-CG 3.24Å; L57-L61 WeakPolarHBondContact O-CG 3.41Å; L57-L61 PolarHBondContact O-N 2.77Å; L58-L61 PolarHBondContact O-N 3.46Å; L61-G65 VanDerWaalsContact O-CA 3.23Å; L61-G65 WeakPolarHBondContact O-CA 3.35Å; L61-G65 PolarHBondContact O-N 3.31Å
62I79.7Confident78.3Confident60 Ų6058.3 Ų58.331%0.30830%0.303SS..Hα-helixtrans-70.4-46.6176.1-67.4169.2000110.3L58 C59 F64 P67 L122 M125L58-I62 HydrophobicContact CD2-CD1 4.27Å; L58-I62 HydrophobicContact CG-CD1 3.96Å; L58-I62 VanDerWaalsContact O-CG1 3.32Å; L58-I62 WeakPolarHBondContact O-CG1 3.5Å; L58-I62 PolarHBondContact O-N 2.83Å; C59-I62 PolarHBondContact O-N 2.84Å; I62-F64 VanDerWaalsContact C-N 3.33Å; I62-F64 PolarHBondContact O-N 2.92Å; I62-P67 WeakPolarHBondContact O-CD 3.49Å; I62-L122 HydrophobicContact CG2-CD2 4.44Å; I62-M125 HydrophobicContact CG2-CE 4.26Å
63G79.6Confident79Confident1 Ų163 Ų631%0.0132%0.318CS..Hα-helixtrans-67.6-29.4-179.900000113.9C59 N60 P67 Y89C59-G63 PolarHBondContact O-N 3.47Å; N60-G63 PolarHBondContact O-N 3.13Å; G63-P67 WeakPolarHBondContact O-CD 3.47Å; G63-P67 VanDerWaalsContact O-CG 3.25Å; G63-P67 WeakPolarHBondContact O-CG 3.23Å; G63-Y89 PolarHBondContact O-OH 3.33Å
64F85.1Confident79.7Confident113 Ų11352.2 Ų52.250%0.49628%0.277SS..Hα-helixtrans-97-50.9178.7-175-94.5000111.9N60 I62 A68 W90 Y93N60-F64 WeakPolarHBondContact O-CA 3.46Å; N60-F64 WeakPolarHBondContact O-CB 3.47Å; N60-F64 PolarHBondContact O-N 3.43Å; I62-F64 VanDerWaalsContact C-N 3.33Å; I62-F64 PolarHBondContact O-N 2.92Å; F64-A68 HydrophobicContact CE1-CB 4.4Å; F64-A68 WeakPolarHBondContact O-CB 3.05Å; F64-A68 PolarHBondContact O-N 2.81Å; F64-W90 AromaticContact CD2-CH2 3.66Å; F64-W90 HydrophobicContact CD2-CH2 3.66Å; F64-W90 AromaticContact CD2-CZ3 3.59Å; F64-W90 HydrophobicContact CD2-CZ3 3.59Å; F64-W90 AromaticContact CE2-CH2 3.68Å; F64-W90 HydrophobicContact CE2-CH2 3.68Å; F64-W90 AromaticContact CE2-CZ3 3.64Å; F64-W90 HydrophobicContact CE2-CZ3 3.64Å; F64-W90 HydrophobicContact CG-CH2 4.33Å; F64-W90 HydrophobicContact CZ-CH2 4.37Å; F64-Y93 HydrophobicContact CD2-CE1 4.44Å
65G83.4Confident80.3Confident32 Ų3256 Ų5633%0.3329%0.286SS..Hα-helixtrans-69-44.6-167.700000114L61 Y69L61-G65 VanDerWaalsContact O-CA 3.23Å; L61-G65 WeakPolarHBondContact O-CA 3.35Å; L61-G65 PolarHBondContact O-N 3.31Å; G65-Y69 WeakPolarHBondContact O-CB 3.41Å; G65-Y69 PolarHBondContact O-N 2.88Å
66Y80.7Confident80.8Confident68 Ų6863.2 Ų63.227%0.26732%0.319SS..Hα-helixtrans-67.3-51.7178.7174.6-96.2000111.7A68 Y69 I70 M125Y66-A68 VanDerWaalsContact C-N 3.31Å; Y66-A68 PolarHBondContact O-N 3.34Å; Y66-Y69 PolarHBondContact O-N 3.46Å; Y66-I70 HydrophobicContact CD2-CG1 4.45Å; Y66-I70 HydrophobicContact CE1-CG1 4.09Å; Y66-I70 HydrophobicContact CE2-CD1 4.13Å; Y66-I70 HydrophobicContact CE2-CG1 4.02Å; Y66-I70 WeakPolarHBondContact O-CG1 3.4Å; Y66-I70 PolarHBondContact O-N 3.19Å; Y66-M125 HydrophobicContact CD1-SD 3.98Å; Y66-M125 HydrophobicContact CE1-SD 4.41Å
67P82.7Confident81Confident0 Ų063.3 Ų63.30%032%0.32CS..Hα-helixtrans-58.8-37.4173.5-30.941.9000113.9I62 G63 I70 S71 W86 Y89 W90 M125I62-P67 WeakPolarHBondContact O-CD 3.49Å; G63-P67 WeakPolarHBondContact O-CD 3.47Å; G63-P67 VanDerWaalsContact O-CG 3.25Å; G63-P67 WeakPolarHBondContact O-CG 3.23Å; P67-I70 PolarHBondContact O-N 3.43Å; P67-S71 WeakPolarHBondContact O-CB 3.35Å; P67-S71 PolarHBondContact O-N 3.38Å; P67-S71 PolarHBondContact O-OG 3.46Å; P67-W86 HydrophobicContact CB-CE3 4.11Å; P67-W86 HydrophobicContact CB-CZ3 3.7Å; P67-W86 HydrophobicContact CG-CZ3 4.24Å; P67-Y89 HydrophobicContact CB-CD1 3.83Å; P67-Y89 HydrophobicContact CB-CE1 3.37Å; P67-Y89 HydrophobicContact CG-CD1 4.34Å; P67-Y89 HydrophobicContact CG-CE1 3.54Å; P67-Y89 HydrophobicContact CG-CE2 4.48Å; P67-W90 HydrophobicContact CB-CZ2 4.26Å; P67-M125 HydrophobicContact CG-CB 4.48Å; P67-M125 HydrophobicContact CG-CE 4.47Å
68A85.2Confident80.9Confident20 Ų2063.6 Ų63.617%0.16533%0.328CS..Hα-helixtrans-61.5-4617500000112.1F64 Y66 I70 S71 I72 W90F64-A68 HydrophobicContact CE1-CB 4.4Å; F64-A68 WeakPolarHBondContact O-CB 3.05Å; F64-A68 PolarHBondContact O-N 2.81Å; Y66-A68 VanDerWaalsContact C-N 3.31Å; Y66-A68 PolarHBondContact O-N 3.34Å; A68-I70 PolarHBondContact O-N 3.33Å; A68-S71 PolarHBondContact O-N 3.34Å; A68-I72 VanDerWaalsContact O-CG1 3.26Å; A68-I72 WeakPolarHBondContact O-CG1 3.32Å; A68-I72 PolarHBondContact O-N 3.4Å; A68-W90 HydrophobicContact CB-CH2 4.11Å; A68-W90 HydrophobicContact CB-CZ2 4Å
69Y83.3Confident80.7Confident129 Ų12966 Ų6651%0.50634%0.342SS..Hα-helixtrans-61.3-45.6177.3177.2-102.1000112.4G65 Y66 I72 K73G65-Y69 WeakPolarHBondContact O-CB 3.41Å; G65-Y69 PolarHBondContact O-N 2.88Å; Y66-Y69 PolarHBondContact O-N 3.46Å; Y69-I72 PolarHBondContact O-N 2.77Å; Y69-K73 HydrophobicContact CD1-CD 4.49Å; Y69-K73 HydrophobicContact CE1-CD 3.76Å; Y69-K73 PolarHBondContact O-N 3.32Å; Y69-K73 VanDerWaalsContact O-N 3.13Å; Y69-K73 WeakPolarHBondContact OH-CE 3.22Å; Y69-K73 PolarHBondContact OH-NZ 3.47Å; Y69-K73 VanDerWaalsContact OH-NZ 3.11Å
70I79.8Confident80.4Confident29 Ų2973.6 Ų73.615%0.14937%0.374CS..Hα-helixtrans-70.7-35.5178.8-53-67.1000111.3Y66 P67 A68 I72 K73 A74 W86Y66-I70 HydrophobicContact CD2-CG1 4.45Å; Y66-I70 HydrophobicContact CE1-CG1 4.09Å; Y66-I70 HydrophobicContact CE2-CD1 4.13Å; Y66-I70 HydrophobicContact CE2-CG1 4.02Å; Y66-I70 WeakPolarHBondContact O-CG1 3.4Å; Y66-I70 PolarHBondContact O-N 3.19Å; P67-I70 PolarHBondContact O-N 3.43Å; A68-I70 PolarHBondContact O-N 3.33Å; I70-I72 PolarHBondContact O-N 2.96Å; I70-K73 CarbonylContact O-C 3.47Å; I70-K73 WeakPolarHBondContact O-CB 3.34Å; I70-K73 PolarHBondContact O-N 3.21Å; I70-A74 PolarHBondContact O-N 3.37Å; I70-W86 HydrophobicContact CB-CH2 3.91Å; I70-W86 HydrophobicContact CB-CZ2 3.58Å; I70-W86 HydrophobicContact CG1-CH2 4.39Å; I70-W86 HydrophobicContact CG1-CZ2 4.33Å; I70-W86 VanDerWaalsContact CG2-CE2 3.47Å; I70-W86 HydrophobicContact CG2-CH2 4Å; I70-W86 HydrophobicContact CG2-CZ2 3.17Å
71S84.1Confident79.8Confident9 Ų979.6 Ų79.66%0.06340%0.401CS..Hα-helixtrans-62.2-42.6174.9-59.60000111.5P67 A68 K73 A74 I75 W90P67-S71 WeakPolarHBondContact O-CB 3.35Å; P67-S71 PolarHBondContact O-N 3.38Å; P67-S71 PolarHBondContact O-OG 3.46Å; A68-S71 PolarHBondContact O-N 3.34Å; S71-K73 VanDerWaalsContact C-N 3.3Å; S71-K73 PolarHBondContact O-N 2.56Å; S71-A74 PolarHBondContact O-N 3.16Å; S71-I75 WeakPolarHBondContact O-CD1 3.17Å; S71-I75 VanDerWaalsContact O-CG1 3.23Å; S71-I75 WeakPolarHBondContact O-CG1 3.44Å; S71-I75 PolarHBondContact O-N 3.28Å; S71-W90 PolarHBondContact OG-NE1 3.01Å
72I83.9Confident79.2Confident103 Ų10378 Ų7853%0.52839%0.393SS..Hα-helixtrans-60.7-43.2174.3-68.9163.6000110.2A68 Y69 I70 A74 I75 E76A68-I72 VanDerWaalsContact O-CG1 3.26Å; A68-I72 WeakPolarHBondContact O-CG1 3.32Å; A68-I72 PolarHBondContact O-N 3.4Å; Y69-I72 PolarHBondContact O-N 2.77Å; I70-I72 PolarHBondContact O-N 2.96Å; I72-A74 VanDerWaalsContact C-N 3.33Å; I72-A74 PolarHBondContact O-N 3.48Å; I72-I75 PolarHBondContact O-N 3.05Å; I72-E76 WeakPolarHBondContact O-CG 3.49Å; I72-E76 PolarHBondContact O-N 3.04Å; I72-E76 VanDerWaalsContact O-N 3.08Å
73K80.5Confident79.1Confident118 Ų11877.5 Ų77.551%0.51339%0.391SS..Hα-helixtrans-63.3-36.6175-82.2-172.4147.5179.10113.5Y69 I70 S71 S77Y69-K73 HydrophobicContact CD1-CD 4.49Å; Y69-K73 HydrophobicContact CE1-CD 3.76Å; Y69-K73 PolarHBondContact O-N 3.32Å; Y69-K73 VanDerWaalsContact O-N 3.13Å; Y69-K73 WeakPolarHBondContact OH-CE 3.22Å; Y69-K73 PolarHBondContact OH-NZ 3.47Å; Y69-K73 VanDerWaalsContact OH-NZ 3.11Å; I70-K73 CarbonylContact O-C 3.47Å; I70-K73 WeakPolarHBondContact O-CB 3.34Å; I70-K73 PolarHBondContact O-N 3.21Å; S71-K73 VanDerWaalsContact C-N 3.3Å; S71-K73 PolarHBondContact O-N 2.56Å; K73-S77 WeakPolarHBondContact O-CB 3.2Å; K73-S77 PolarHBondContact O-N 3.29Å; K73-S77 VanDerWaalsContact O-N 3.15Å
74A80Confident79Confident4 Ų482 Ų823%0.03342%0.419CS..Hα-helixtrans-66.5-44.9175.900000110.9I70 S71 I72 E76 S77 D82I70-A74 PolarHBondContact O-N 3.37Å; S71-A74 PolarHBondContact O-N 3.16Å; I72-A74 VanDerWaalsContact C-N 3.33Å; I72-A74 PolarHBondContact O-N 3.48Å; A74-E76 VanDerWaalsContact C-N 3.3Å; A74-E76 PolarHBondContact O-N 3.49Å; A74-S77 VanDerWaalsContact O-CB 3.25Å; A74-S77 WeakPolarHBondContact O-CB 3.04Å; A74-S77 PolarHBondContact O-N 3.16Å; A74-D82 HydrophobicContact CB-CB 3.91Å
75I82.2Confident78.7Confident119 Ų11980 Ų8061%0.6141%0.41SS*.Hα-helixtrans-60.6-38.2177.7-68.1163000112.1S71 I72 S77S71-I75 WeakPolarHBondContact O-CD1 3.17Å; S71-I75 VanDerWaalsContact O-CG1 3.23Å; S71-I75 WeakPolarHBondContact O-CG1 3.44Å; S71-I75 PolarHBondContact O-N 3.28Å; I72-I75 PolarHBondContact O-N 3.05Å; I75-S77 VanDerWaalsContact C-N 3.3Å
76E83Confident78.7Confident157 Ų15779.7 Ų79.773%0.73440%0.399SS*.THydrogen-bonded Turntrans-80.8-10.2177.5-65.9-66.5157.600113.1I72 A74I72-E76 WeakPolarHBondContact O-CG 3.49Å; I72-E76 PolarHBondContact O-N 3.04Å; I72-E76 VanDerWaalsContact O-N 3.08Å; A74-E76 VanDerWaalsContact C-N 3.3Å; A74-E76 PolarHBondContact O-N 3.49Å
77S77.4Confident78.8Confident38 Ų3882 Ų8227%0.26642%0.416SS..SBendtrans-81.7142.2178.1-176.70000110.4K73 A74 I75 N79K73-S77 WeakPolarHBondContact O-CB 3.2Å; K73-S77 PolarHBondContact O-N 3.29Å; K73-S77 VanDerWaalsContact O-N 3.15Å; A74-S77 VanDerWaalsContact O-CB 3.25Å; A74-S77 WeakPolarHBondContact O-CB 3.04Å; A74-S77 PolarHBondContact O-N 3.16Å; I75-S77 VanDerWaalsContact C-N 3.3Å; S77-N79 PolarHBondContact O-N 2.81Å; S77-N79 PolarHBondContact OG-N 3.37Å
78P74.2Confident78.9Confident122 Ų12283 Ų8379%0.79242%0.421SS*.SBendtrans-66.3-18.1172.625.7-32.9000113.2
79N71.4Confident79Confident107 Ų10782.1 Ų82.157%0.57241%0.414SS*.  trans-87.8110.3-179.2-66.5-29.7000111S77 E81S77-N79 PolarHBondContact O-N 2.81Å; S77-N79 PolarHBondContact OG-N 3.37Å; N79-E81 VanDerWaalsContact C-N 3.34Å; N79-E81 PolarHBondContact O-N 3.3Å
80K70.7Confident79.2Confident160 Ų16079.2 Ų79.270%0.69640%0.402SS*.THydrogen-bonded Turntrans-82.5-3-177.9-61.1-169.9176.7-174.30115.4D82 D83K80-D82 PolarHBondContact O-N 3.45Å; K80-D83 WeakPolarHBondContact O-CB 3.38Å; K80-D83 PolarHBondContact O-N 3.34Å
81E66.2Low79.6Confident176 Ų17680.5 Ų80.582%0.82241%0.411SS*.Hα-helixtrans-64.3-34.3-179.4-66.3-174.1173.800111.1N79 D83N79-E81 VanDerWaalsContact C-N 3.34Å; N79-E81 PolarHBondContact O-N 3.3Å; E81-D83 PolarHBondContact O-N 3.31Å
82D69.8Low79.7Confident74 Ų7480.3 Ų80.340%0.39641%0.41SS..Hα-helixtrans-71.4-29.1179.3-65-29.8000112.5A74 K80 T84 Q85 W86A74-D82 HydrophobicContact CB-CB 3.91Å; K80-D82 PolarHBondContact O-N 3.45Å; D82-T84 VanDerWaalsContact C-N 3.33Å; D82-T84 PolarHBondContact O-N 3.15Å; D82-Q85 PolarHBondContact O-N 3.46Å; D82-W86 PolarHBondContact O-N 3.38Å; D82-W86 VanDerWaalsContact O-N 3.15Å
83D77.4Confident79.9Confident48 Ų4876.8 Ų76.826%0.25739%0.39SS..Hα-helixtrans-60.7-41.4-176.8-65.9-23.2000112.2K80 E81 Q85 W86 L87K80-D83 WeakPolarHBondContact O-CB 3.38Å; K80-D83 PolarHBondContact O-N 3.34Å; E81-D83 PolarHBondContact O-N 3.31Å; D83-Q85 VanDerWaalsContact C-N 3.3Å; D83-Q85 PolarHBondContact O-N 3.4Å; D83-W86 PolarHBondContact O-N 3.16Å; D83-L87 VanDerWaalsContact O-CB 3.31Å; D83-L87 WeakPolarHBondContact O-CB 3.31Å; D83-L87 PolarHBondContact O-N 3.49Å
84T78.2Confident80.2Confident97 Ų9772.6 Ų72.660%0.59538%0.381SS*.Hα-helixtrans-65.9-37.2-178.2-57.80000110.9D82 T88D82-T84 VanDerWaalsContact C-N 3.33Å; D82-T84 PolarHBondContact O-N 3.15Å; T84-T88 WeakPolarHBondContact O-CB 3.2Å; T84-T88 PolarHBondContact O-N 2.96Å; T84-T88 PolarHBondContact O-OG1 3.21Å
85Q79Confident80.6Confident69 Ų6975.9 Ų75.932%0.32240%0.4SS..Hα-helixtrans-67.3-46.5178.5-178.7176.9-27.400111D82 D83 T88 Y89 N131D82-Q85 PolarHBondContact O-N 3.46Å; D83-Q85 VanDerWaalsContact C-N 3.3Å; D83-Q85 PolarHBondContact O-N 3.4Å; Q85-T88 WeakPolarHBondContact O-CB 3.04Å; Q85-T88 PolarHBondContact O-N 2.74Å; Q85-Y89 PolarHBondContact O-N 2.9Å; Q85-N131 PolarHBondContact NE2-ND2 2.87Å
86W82.5Confident80.8Confident27 Ų2772 Ų7210%0.10238%0.379CS..Hα-helixtrans-67.5-39.3178.3-69112.1000112P67 I70 D82 D83 T88 Y89 W90P67-W86 HydrophobicContact CB-CE3 4.11Å; P67-W86 HydrophobicContact CB-CZ3 3.7Å; P67-W86 HydrophobicContact CG-CZ3 4.24Å; I70-W86 HydrophobicContact CB-CH2 3.91Å; I70-W86 HydrophobicContact CB-CZ2 3.58Å; I70-W86 HydrophobicContact CG1-CH2 4.39Å; I70-W86 HydrophobicContact CG1-CZ2 4.33Å; I70-W86 VanDerWaalsContact CG2-CE2 3.47Å; I70-W86 HydrophobicContact CG2-CH2 4Å; I70-W86 HydrophobicContact CG2-CZ2 3.17Å; D82-W86 PolarHBondContact O-N 3.38Å; D82-W86 VanDerWaalsContact O-N 3.15Å; D83-W86 PolarHBondContact O-N 3.16Å; W86-T88 VanDerWaalsContact C-N 3.32Å; W86-T88 PolarHBondContact O-N 3.43Å; W86-Y89 HydrophobicContact CE3-CD1 4.45Å; W86-Y89 HydrophobicContact CE3-CG 4.5Å; W86-Y89 WeakPolarHBondContact O-CA 3.5Å; W86-Y89 VanDerWaalsContact O-CB 3.32Å; W86-Y89 WeakPolarHBondContact O-CB 3.32Å; W86-Y89 PolarHBondContact O-N 3.4Å; W86-Y89 VanDerWaalsContact O-N 3.16Å; W86-W90 PolarHBondContact O-N 2.93Å
87L83.7Confident80.9Confident117 Ų11766.2 Ų66.261%0.61336%0.356SS*.Hα-helixtrans-62.7-41.5174.8-169.564.4000111.5D83 Y89 W90 V91D83-L87 VanDerWaalsContact O-CB 3.31Å; D83-L87 WeakPolarHBondContact O-CB 3.31Å; D83-L87 PolarHBondContact O-N 3.49Å; L87-Y89 VanDerWaalsContact C-N 3.31Å; L87-Y89 PolarHBondContact O-N 3.34Å; L87-W90 PolarHBondContact O-N 3.42Å; L87-V91 WeakPolarHBondContact O-CG2 3.49Å; L87-V91 PolarHBondContact O-N 2.87Å
88T85.4Confident81.3Confident19 Ų1969.9 Ų69.912%0.11737%0.371CS..Hα-helixtrans-60.4-43173.9-580000111T84 Q85 W86 V91 V92 Y137T84-T88 WeakPolarHBondContact O-CB 3.2Å; T84-T88 PolarHBondContact O-N 2.96Å; T84-T88 PolarHBondContact O-OG1 3.21Å; Q85-T88 WeakPolarHBondContact O-CB 3.04Å; Q85-T88 PolarHBondContact O-N 2.74Å; W86-T88 VanDerWaalsContact C-N 3.32Å; W86-T88 PolarHBondContact O-N 3.43Å; T88-V91 PolarHBondContact O-N 2.71Å; T88-V92 VanDerWaalsContact O-CG2 3.26Å; T88-V92 WeakPolarHBondContact O-CG2 3.5Å; T88-V92 PolarHBondContact O-N 2.92Å; T88-Y137 HydrophobicContact CG2-CD1 4.22Å; T88-Y137 HydrophobicContact CG2-CD2 4.24Å; T88-Y137 HydrophobicContact CG2-CG 3.74Å
89Y85.7Confident81.8Confident3 Ų366.2 Ų66.21%0.01235%0.351CS..Hα-helixtrans-57.6-49.8173.3175.4-93.3000111.7G63 P67 Q85 W86 L87 V91 V92 Y93 C124 M125 A133G63-Y89 PolarHBondContact O-OH 3.33Å; P67-Y89 HydrophobicContact CB-CD1 3.83Å; P67-Y89 HydrophobicContact CB-CE1 3.37Å; P67-Y89 HydrophobicContact CG-CD1 4.34Å; P67-Y89 HydrophobicContact CG-CE1 3.54Å; P67-Y89 HydrophobicContact CG-CE2 4.48Å; Q85-Y89 PolarHBondContact O-N 2.9Å; W86-Y89 HydrophobicContact CE3-CD1 4.45Å; W86-Y89 HydrophobicContact CE3-CG 4.5Å; W86-Y89 WeakPolarHBondContact O-CA 3.5Å; W86-Y89 VanDerWaalsContact O-CB 3.32Å; W86-Y89 WeakPolarHBondContact O-CB 3.32Å; W86-Y89 PolarHBondContact O-N 3.4Å; W86-Y89 VanDerWaalsContact O-N 3.16Å; L87-Y89 VanDerWaalsContact C-N 3.31Å; L87-Y89 PolarHBondContact O-N 3.34Å; Y89-V91 VanDerWaalsContact C-N 3.34Å; Y89-V91 PolarHBondContact O-N 2.75Å; Y89-V92 PolarHBondContact O-N 3.42Å; Y89-Y93 HydrophobicContact CE1-CD2 4.31Å; Y89-Y93 HydrophobicContact CE1-CG 4.4Å; Y89-Y93 VanDerWaalsContact O-CB 3.26Å; Y89-Y93 WeakPolarHBondContact O-CB 3.31Å; Y89-Y93 PolarHBondContact O-N 2.95Å; Y89-C124 HydrophobicContact CD2-CB 4.09Å; Y89-C124 WeakPolarHBondContact CD2-O 3.33Å; Y89-C124 HydrophobicContact CE2-CB 3.85Å; Y89-M125 HydrophobicContact CE2-CB 4.06Å; Y89-A133 HydrophobicContact CD2-CB 4.37Å
90W88.8Confident82.4Confident68 Ų6861.8 Ų61.826%0.25833%0.327SS..Hα-helixtrans-62-39.1-179.8-74.5114.9000113.1F64 P67 A68 S71 W86 L87 Y93 G94F64-W90 AromaticContact CD2-CH2 3.66Å; F64-W90 HydrophobicContact CD2-CH2 3.66Å; F64-W90 AromaticContact CD2-CZ3 3.59Å; F64-W90 HydrophobicContact CD2-CZ3 3.59Å; F64-W90 AromaticContact CE2-CH2 3.68Å; F64-W90 HydrophobicContact CE2-CH2 3.68Å; F64-W90 AromaticContact CE2-CZ3 3.64Å; F64-W90 HydrophobicContact CE2-CZ3 3.64Å; F64-W90 HydrophobicContact CG-CH2 4.33Å; F64-W90 HydrophobicContact CZ-CH2 4.37Å; P67-W90 HydrophobicContact CB-CZ2 4.26Å; A68-W90 HydrophobicContact CB-CH2 4.11Å; A68-W90 HydrophobicContact CB-CZ2 4Å; S71-W90 PolarHBondContact OG-NE1 3.01Å; W86-W90 PolarHBondContact O-N 2.93Å; L87-W90 PolarHBondContact O-N 3.42Å; W90-Y93 HydrophobicContact CE3-CD1 4.24Å; W90-Y93 HydrophobicContact CZ3-CD1 4.21Å; W90-Y93 PolarHBondContact O-N 3.23Å; W90-G94 PolarHBondContact O-N 3.45Å
91V86.8Confident82.8Confident55 Ų5560.7 Ų60.733%0.33332%0.322SS..Hα-helixtrans-64.3-45.2175.8172.40000110.7L87 T88 Y89 G94 V95 Y137 I141L87-V91 WeakPolarHBondContact O-CG2 3.49Å; L87-V91 PolarHBondContact O-N 2.87Å; T88-V91 PolarHBondContact O-N 2.71Å; Y89-V91 VanDerWaalsContact C-N 3.34Å; Y89-V91 PolarHBondContact O-N 2.75Å; V91-G94 PolarHBondContact O-N 3.27Å; V91-V95 WeakPolarHBondContact O-CG2 3.34Å; V91-V95 PolarHBondContact O-N 3.44Å; V91-Y137 HydrophobicContact CG1-CD2 4.11Å; V91-Y137 HydrophobicContact CG1-CE2 4.13Å; V91-I141 HydrophobicContact CG1-CD1 4Å; V91-I141 HydrophobicContact CG1-CG2 3.9Å
92V87.3Confident83.6Confident5 Ų558 Ų583%0.0331%0.308CS..Hα-helixtrans-66.5-41.8177.3173.90000111.2T88 Y89 V95 F96 A133 L136 I141T88-V92 VanDerWaalsContact O-CG2 3.26Å; T88-V92 WeakPolarHBondContact O-CG2 3.5Å; T88-V92 PolarHBondContact O-N 2.92Å; Y89-V92 PolarHBondContact O-N 3.42Å; V92-V95 PolarHBondContact O-N 2.97Å; V92-F96 WeakPolarHBondContact O-CB 3.45Å; V92-F96 PolarHBondContact O-N 2.83Å; V92-A133 HydrophobicContact CB-CB 4.18Å; V92-A133 HydrophobicContact CG1-CB 4.44Å; V92-A133 HydrophobicContact CG2-CB 4.02Å; V92-A133 VanDerWaalsContact CG2-O 3.25Å; V92-A133 WeakPolarHBondContact CG2-O 3.11Å; V92-L136 HydrophobicContact CG1-CB 4.09Å; V92-L136 HydrophobicContact CG1-CD1 3.63Å; V92-L136 HydrophobicContact CG2-CB 4.17Å; V92-I141 HydrophobicContact CB-CD1 4.21Å; V92-I141 HydrophobicContact CG2-CD1 3.54Å
93Y87.3Confident84Confident29 Ų2956.4 Ų56.411%0.11430%0.303CS..Hα-helixtrans-59.1-46.8175.5-177.2-92.9000110.5F64 Y89 W90 F96 S97 L121F64-Y93 HydrophobicContact CD2-CE1 4.44Å; Y89-Y93 HydrophobicContact CE1-CD2 4.31Å; Y89-Y93 HydrophobicContact CE1-CG 4.4Å; Y89-Y93 VanDerWaalsContact O-CB 3.26Å; Y89-Y93 WeakPolarHBondContact O-CB 3.31Å; Y89-Y93 PolarHBondContact O-N 2.95Å; W90-Y93 HydrophobicContact CE3-CD1 4.24Å; W90-Y93 HydrophobicContact CZ3-CD1 4.21Å; W90-Y93 PolarHBondContact O-N 3.23Å; Y93-F96 CarbonylContact O-C 3.57Å; Y93-F96 PolarHBondContact O-N 3.07Å; Y93-S97 WeakPolarHBondContact CE1-OG 3.34Å; Y93-S97 WeakPolarHBondContact O-CB 3.43Å; Y93-S97 PolarHBondContact O-N 2.67Å; Y93-S97 PolarHBondContact O-OG 3.12Å; Y93-L121 HydrophobicContact CD2-CD2 3.68Å; Y93-L121 HydrophobicContact CE2-CD1 4.46Å; Y93-L121 HydrophobicContact CE2-CD2 3.82Å
94G87.9Confident83.9Confident31 Ų3156 Ų5632%0.3230%0.301SS..Hα-helixtrans-61.5-46.2177.200000113.2W90 V91 F96 S97 I98W90-G94 PolarHBondContact O-N 3.45Å; V91-G94 PolarHBondContact O-N 3.27Å; G94-F96 VanDerWaalsContact C-N 3.32Å; G94-F96 PolarHBondContact O-N 3.22Å; G94-S97 PolarHBondContact O-N 3.05Å; G94-I98 WeakPolarHBondContact O-CG1 3.48Å; G94-I98 PolarHBondContact O-N 3.4Å; G94-I98 VanDerWaalsContact O-N 3.13Å
95V87Confident83.9Confident72 Ų7256.1 Ų56.144%0.43630%0.297SS..Hα-helixtrans-61.8-43174.8171.40000110.9V91 V92 I98 A99 I141V91-V95 WeakPolarHBondContact O-CG2 3.34Å; V91-V95 PolarHBondContact O-N 3.44Å; V92-V95 PolarHBondContact O-N 2.97Å; V95-I98 PolarHBondContact O-N 2.81Å; V95-A99 PolarHBondContact O-N 3.06Å; V95-I141 HydrophobicContact CB-CD1 4.24Å; V95-I141 HydrophobicContact CG2-CD1 3.95Å; V95-I141 HydrophobicContact CG2-CG1 4.34Å
96F87Confident83.8Confident38 Ų3859.8 Ų59.817%0.16731%0.312CS..Hα-helixtrans-63.9-43.6177.2-179.9-102000111.5V92 Y93 G94 I98 A99 E100 K117 F120 L121V92-F96 WeakPolarHBondContact O-CB 3.45Å; V92-F96 PolarHBondContact O-N 2.83Å; Y93-F96 CarbonylContact O-C 3.57Å; Y93-F96 PolarHBondContact O-N 3.07Å; G94-F96 VanDerWaalsContact C-N 3.32Å; G94-F96 PolarHBondContact O-N 3.22Å; F96-I98 VanDerWaalsContact C-N 3.28Å; F96-I98 PolarHBondContact O-N 3.18Å; F96-A99 CarbonylContact O-C 3.44Å; F96-A99 PolarHBondContact O-N 3.42Å; F96-A99 VanDerWaalsContact O-N 3.11Å; F96-E100 HydrophobicContact CE1-CB 4.32Å; F96-E100 HydrophobicContact CE1-CG 4.41Å; F96-E100 WeakPolarHBondContact O-CA 3.43Å; F96-E100 WeakPolarHBondContact O-CB 3.26Å; F96-E100 PolarHBondContact O-N 2.75Å; F96-K117 HydrophobicContact CE1-CG 3.93Å; F96-K117 HydrophobicContact CZ-CG 3.97Å; F96-F120 HydrophobicContact CB-CE1 4.16Å; F96-F120 HydrophobicContact CD1-CD1 4.35Å; F96-F120 HydrophobicContact CD1-CE1 4.2Å; F96-F120 AromaticContact CD2-CD1 3.75Å; F96-F120 HydrophobicContact CD2-CD1 3.75Å; F96-F120 AromaticContact CD2-CE1 3.22Å; F96-F120 HydrophobicContact CD2-CE1 3.22Å; F96-F120 AromaticContact CD2-CZ 3.85Å; F96-F120 HydrophobicContact CD2-CZ 3.85Å; F96-F120 HydrophobicContact CE1-CD1 4.19Å; F96-F120 HydrophobicContact CE1-CE1 4.45Å; F96-F120 AromaticContact CE2-CD1 3.55Å; F96-F120 HydrophobicContact CE2-CD1 3.55Å; F96-F120 AromaticContact CE2-CE1 3.53Å; F96-F120 HydrophobicContact CE2-CE1 3.53Å; F96-F120 HydrophobicContact CE2-CG 4.29Å; F96-F120 HydrophobicContact CE2-CZ 4.23Å; F96-F120 HydrophobicContact CG-CD1 4.14Å; F96-F120 AromaticContact CG-CE1 3.59Å; F96-F120 HydrophobicContact CG-CE1 3.59Å; F96-F120 HydrophobicContact CG-CZ 4.49Å; F96-F120 AromaticContact CZ-CD1 3.78Å; F96-F120 HydrophobicContact CZ-CD1 3.78Å; F96-F120 HydrophobicContact CZ-CE1 4.14Å; F96-L121 HydrophobicContact CD1-CD2 4.02Å; F96-L121 HydrophobicContact CE1-CD2 4.15Å; F96-L121 HydrophobicContact CE1-CG 4.33Å
97S85.4Confident83.4Confident36 Ų3662 Ų6225%0.25233%0.326SS..Hα-helixtrans-60.5-37177.3-65.60000112.4Y93 G94 E100 F101Y93-S97 WeakPolarHBondContact CE1-OG 3.34Å; Y93-S97 WeakPolarHBondContact O-CB 3.43Å; Y93-S97 PolarHBondContact O-N 2.67Å; Y93-S97 PolarHBondContact O-OG 3.12Å; G94-S97 PolarHBondContact O-N 3.05Å; S97-E100 WeakPolarHBondContact O-CB 3.25Å; S97-E100 PolarHBondContact O-N 3.04Å; S97-F101 PolarHBondContact O-N 3.4Å
98I85.7Confident82.7Confident114 Ų11459.8 Ų59.859%0.58532%0.32SS*.Hα-helixtrans-66.4-46.9173.7-64.3167000110.2G94 V95 F96 E100 F101 F102G94-I98 WeakPolarHBondContact O-CG1 3.48Å; G94-I98 PolarHBondContact O-N 3.4Å; G94-I98 VanDerWaalsContact O-N 3.13Å; V95-I98 PolarHBondContact O-N 2.81Å; F96-I98 VanDerWaalsContact C-N 3.28Å; F96-I98 PolarHBondContact O-N 3.18Å; I98-E100 VanDerWaalsContact C-N 3.27Å; I98-E100 PolarHBondContact O-N 3Å; I98-F101 WeakPolarHBondContact O-CB 3.33Å; I98-F101 PolarHBondContact O-N 3.21Å; I98-F102 HydrophobicContact CG2-CE2 4.2Å; I98-F102 WeakPolarHBondContact O-CD2 3.26Å
99A85Confident82.2Confident46 Ų4668.7 Ų68.738%0.3835%0.351SS..Hα-helixtrans-65.2-33.117700000112.6V95 F96 F102 S103V95-A99 PolarHBondContact O-N 3.06Å; F96-A99 CarbonylContact O-C 3.44Å; F96-A99 PolarHBondContact O-N 3.42Å; F96-A99 VanDerWaalsContact O-N 3.11Å; A99-F102 PolarHBondContact O-N 3.49Å; A99-S103 WeakPolarHBondContact O-CB 3.2Å; A99-S103 PolarHBondContact O-N 3.35Å; A99-S103 PolarHBondContact O-OG 3.04Å
100E83.1Confident81.8Confident14 Ų1472.5 Ų72.57%0.06537%0.368CS..Hα-helixtrans-65-43.4176.9-170.2-151.315300110F96 S97 I98 F102 S103 D104 Y113 K117F96-E100 HydrophobicContact CE1-CB 4.32Å; F96-E100 HydrophobicContact CE1-CG 4.41Å; F96-E100 WeakPolarHBondContact O-CA 3.43Å; F96-E100 WeakPolarHBondContact O-CB 3.26Å; F96-E100 PolarHBondContact O-N 2.75Å; S97-E100 WeakPolarHBondContact O-CB 3.25Å; S97-E100 PolarHBondContact O-N 3.04Å; I98-E100 VanDerWaalsContact C-N 3.27Å; I98-E100 PolarHBondContact O-N 3Å; E100-F102 PolarHBondContact O-N 2.9Å; E100-F102 VanDerWaalsContact O-N 3.16Å; E100-S103 CarbonylContact O-C 3.51Å; E100-S103 WeakPolarHBondContact O-CA 3.42Å; E100-S103 WeakPolarHBondContact O-CB 3.3Å; E100-S103 PolarHBondContact O-N 2.94Å; E100-D104 WeakPolarHBondContact O-CB 3.34Å; E100-D104 PolarHBondContact O-N 3.27Å; E100-Y113 VanDerWaalsContact CG-OH 3.27Å; E100-Y113 WeakPolarHBondContact CG-OH 3.37Å; E100-K117 HydrophobicContact CG-CD 4.28Å; E100-K117 WeakPolarHBondContact OE1-CE 3.47Å; E100-K117 IonicContact OE1-NZ 3.92Å; E100-K117 PolarHBondContact OE1-NZ 3.32Å; E100-K117 WeakPolarHBondContact OE2-CE 3.32Å; E100-K117 IonicContact OE2-NZ 3.15Å; E100-K117 PolarHBondContact OE2-NZ 3.32Å
101F80.1Confident80.9Confident136 Ų13672.6 Ų72.660%0.59638%0.377SS*.Hα-helixtrans-52.2-42.3176.4-177.7-98.2000112.2S97 I98 I105S97-F101 PolarHBondContact O-N 3.4Å; I98-F101 WeakPolarHBondContact O-CB 3.33Å; I98-F101 PolarHBondContact O-N 3.21Å; F101-I105 HydrophobicContact CD1-CD1 4.22Å; F101-I105 HydrophobicContact CE1-CD1 3.9Å; F101-I105 HydrophobicContact CZ-CD1 4.32Å; F101-I105 WeakPolarHBondContact O-CD1 3.46Å; F101-I105 VanDerWaalsContact O-CG1 3.31Å; F101-I105 WeakPolarHBondContact O-CG1 3.32Å
102F81.7Confident80.4Confident120 Ų12075.2 Ų75.253%0.52638%0.384SS..Hα-helixtrans-71.1-41.5173.4-63.8-78.3000112.3I98 A99 E100 D104 I105 F106I98-F102 HydrophobicContact CG2-CE2 4.2Å; I98-F102 WeakPolarHBondContact O-CD2 3.26Å; A99-F102 PolarHBondContact O-N 3.49Å; E100-F102 PolarHBondContact O-N 2.9Å; E100-F102 VanDerWaalsContact O-N 3.16Å; F102-D104 PolarHBondContact O-N 3.24Å; F102-I105 PolarHBondContact O-N 3.05Å; F102-F106 WeakPolarHBondContact O-CD2 3.18Å; F102-F106 PolarHBondContact O-N 2.78Å
103S78.8Confident79.9Confident40 Ų4075.8 Ų75.828%0.2839%0.386SS..Hα-helixtrans-65.1-38.2-178.9-57.80000112.3A99 E100 I105 F106 L107 Y113A99-S103 WeakPolarHBondContact O-CB 3.2Å; A99-S103 PolarHBondContact O-N 3.35Å; A99-S103 PolarHBondContact O-OG 3.04Å; E100-S103 CarbonylContact O-C 3.51Å; E100-S103 WeakPolarHBondContact O-CA 3.42Å; E100-S103 WeakPolarHBondContact O-CB 3.3Å; E100-S103 PolarHBondContact O-N 2.94Å; S103-I105 VanDerWaalsContact C-N 3.31Å; S103-I105 PolarHBondContact O-N 3.44Å; S103-F106 PolarHBondContact O-N 2.75Å; S103-L107 WeakPolarHBondContact O-CA 3.18Å; S103-L107 WeakPolarHBondContact O-CB 3.47Å; S103-L107 PolarHBondContact O-N 2.87Å; S103-Y113 WeakPolarHBondContact CB-OH 3.25Å
104D76.2Confident79.2Confident39 Ų3977 Ų7721%0.20939%0.391CS..Hα-helixtrans-61.4-40.1175.8-92.3-13.9000111.2E100 F102 F106 S108 Y113E100-D104 WeakPolarHBondContact O-CB 3.34Å; E100-D104 PolarHBondContact O-N 3.27Å; F102-D104 PolarHBondContact O-N 3.24Å; D104-F106 VanDerWaalsContact C-N 3.28Å; D104-F106 PolarHBondContact O-N 2.8Å; D104-S108 WeakPolarHBondContact O-CB 3.22Å; D104-S108 PolarHBondContact O-N 3.4Å; D104-S108 VanDerWaalsContact O-N 3.16Å; D104-S108 PolarHBondContact O-OG 2.67Å; D104-Y113 WeakPolarHBondContact OD1-CE1 3.41Å; D104-Y113 PolarHBondContact OD1-OH 3.11Å
105I76.8Confident78.6Confident101 Ų10180 Ų8052%0.51840%0.398SS..Hα-helixtrans-61.1-39.1177.2-65.8165.2000110.9F101 F102 S103F101-I105 HydrophobicContact CD1-CD1 4.22Å; F101-I105 HydrophobicContact CE1-CD1 3.9Å; F101-I105 HydrophobicContact CZ-CD1 4.32Å; F101-I105 WeakPolarHBondContact O-CD1 3.46Å; F101-I105 VanDerWaalsContact O-CG1 3.31Å; F101-I105 WeakPolarHBondContact O-CG1 3.32Å; F102-I105 PolarHBondContact O-N 3.05Å; S103-I105 VanDerWaalsContact C-N 3.31Å; S103-I105 PolarHBondContact O-N 3.44Å
106F77.4Confident78.2Confident146 Ų14682 Ų8264%0.6441%0.406SS*.Hα-helixtrans-96.4-29.2-175.3-65.8-68.9000115.1F102 S103 D104 W109F102-F106 WeakPolarHBondContact O-CD2 3.18Å; F102-F106 PolarHBondContact O-N 2.78Å; S103-F106 PolarHBondContact O-N 2.75Å; D104-F106 VanDerWaalsContact C-N 3.28Å; D104-F106 PolarHBondContact O-N 2.8Å; F106-W109 PolarHBondContact O-NE1 3.25Å; F106-W109 VanDerWaalsContact O-NE1 3.13Å
107L74.8Confident77.9Confident74 Ų7480.5 Ų80.539%0.38740%0.399SS..Hα-helixtrans-115.31-168.2-58.9176000113.3S103 W109 F110 Y113S103-L107 WeakPolarHBondContact O-CA 3.18Å; S103-L107 WeakPolarHBondContact O-CB 3.47Å; S103-L107 PolarHBondContact O-N 2.87Å; L107-W109 PolarHBondContact O-N 2.72Å; L107-W109 VanDerWaalsContact O-N 3.09Å; L107-F110 WeakPolarHBondContact O-CB 3.24Å; L107-F110 PolarHBondContact O-N 2.89Å; L107-Y113 HydrophobicContact CB-CD2 3.55Å; L107-Y113 HydrophobicContact CB-CE2 3.94Å; L107-Y113 HydrophobicContact CB-CG 4.08Å; L107-Y113 HydrophobicContact CD1-CD2 3.83Å; L107-Y113 HydrophobicContact CD1-CE2 3.88Å; L107-Y113 HydrophobicContact CG-CD2 4.35Å
108S69.3Low77.6Confident70 Ų7079.3 Ų79.349%0.4939%0.39SS..THydrogen-bonded Turntrans-55.9-25.7175.544.60000114.1D104 F110D104-S108 WeakPolarHBondContact O-CB 3.22Å; D104-S108 PolarHBondContact O-N 3.4Å; D104-S108 VanDerWaalsContact O-N 3.16Å; D104-S108 PolarHBondContact O-OG 2.67Å; S108-F110 VanDerWaalsContact C-N 3.32Å
109W74.5Confident77.4Confident206 Ų20675.6 Ų75.678%0.7838%0.381SS*.THydrogen-bonded Turntrans-78.8-13.3176.274.3-80.5000113.7F106 L107F106-W109 PolarHBondContact O-NE1 3.25Å; F106-W109 VanDerWaalsContact O-NE1 3.13Å; L107-W109 PolarHBondContact O-N 2.72Å; L107-W109 VanDerWaalsContact O-N 3.09Å
110F77.1Confident77.3Confident82 Ų8275.9 Ų75.936%0.3637%0.373SS..  trans-87.7118.8-175.2-170.7-106.1000111.4L107 S108 F112 Y113L107-F110 WeakPolarHBondContact O-CB 3.24Å; L107-F110 PolarHBondContact O-N 2.89Å; S108-F110 VanDerWaalsContact C-N 3.32Å; F110-F112 VanDerWaalsContact C-N 3.27Å; F110-F112 HydrophobicContact CD1-CB 4.14Å; F110-F112 HydrophobicContact CE1-CB 3.67Å; F110-F112 HydrophobicContact CE1-CD2 4.01Å; F110-F112 HydrophobicContact CE1-CG 4.35Å; F110-F112 HydrophobicContact CZ-CB 4.44Å; F110-F112 AromaticContact CZ-CD2 3.95Å; F110-F112 HydrophobicContact CZ-CD2 3.95Å; F110-F112 PolarHBondContact O-N 2.84Å; F110-F112 VanDerWaalsContact O-N 3.12Å; F110-Y113 VanDerWaalsContact O-CB 3.27Å; F110-Y113 WeakPolarHBondContact O-CB 3.41Å; F110-Y113 PolarHBondContact O-N 2.98Å
111P69.9Low77.2Confident70 Ų7075.4 Ų75.446%0.45537%0.371SS..THydrogen-bonded Turntrans-66.5-21.7-167.624.4-34.4000114.8
112F75.7Confident77.3Confident110 Ų11072.8 Ų72.848%0.48236%0.363SS..THydrogen-bonded Turntrans-95.80.3178.6-55.8-75.6000113.7F110 Y114 M115 L116F110-F112 VanDerWaalsContact C-N 3.27Å; F110-F112 HydrophobicContact CD1-CB 4.14Å; F110-F112 HydrophobicContact CE1-CB 3.67Å; F110-F112 HydrophobicContact CE1-CD2 4.01Å; F110-F112 HydrophobicContact CE1-CG 4.35Å; F110-F112 HydrophobicContact CZ-CB 4.44Å; F110-F112 AromaticContact CZ-CD2 3.95Å; F110-F112 HydrophobicContact CZ-CD2 3.95Å; F110-F112 PolarHBondContact O-N 2.84Å; F110-F112 VanDerWaalsContact O-N 3.12Å; F112-Y114 PolarHBondContact O-N 3.3Å; F112-M115 HydrophobicContact CD1-SD 4.43Å; F112-M115 PolarHBondContact O-N 2.76Å; F112-L116 WeakPolarHBondContact O-CG 3.27Å; F112-L116 PolarHBondContact O-N 3.09Å
113Y76.8Confident77.3Confident18 Ų1872.3 Ų72.37%0.07136%0.358CS..Hα-helixtrans-59.3-49.5-176174.7-99.6000111.9E100 S103 D104 L107 F110 M115 L116 K117E100-Y113 VanDerWaalsContact CG-OH 3.27Å; E100-Y113 WeakPolarHBondContact CG-OH 3.37Å; S103-Y113 WeakPolarHBondContact CB-OH 3.25Å; D104-Y113 WeakPolarHBondContact OD1-CE1 3.41Å; D104-Y113 PolarHBondContact OD1-OH 3.11Å; L107-Y113 HydrophobicContact CB-CD2 3.55Å; L107-Y113 HydrophobicContact CB-CE2 3.94Å; L107-Y113 HydrophobicContact CB-CG 4.08Å; L107-Y113 HydrophobicContact CD1-CD2 3.83Å; L107-Y113 HydrophobicContact CD1-CE2 3.88Å; L107-Y113 HydrophobicContact CG-CD2 4.35Å; F110-Y113 VanDerWaalsContact O-CB 3.27Å; F110-Y113 WeakPolarHBondContact O-CB 3.41Å; F110-Y113 PolarHBondContact O-N 2.98Å; Y113-M115 VanDerWaalsContact C-N 3.3Å; Y113-M115 PolarHBondContact O-N 3.34Å; Y113-L116 PolarHBondContact O-N 3.19Å; Y113-K117 HydrophobicContact CE1-CD 4.45Å; Y113-K117 WeakPolarHBondContact O-CB 3.37Å; Y113-K117 PolarHBondContact O-N 3.42Å
114Y72.8Confident77.3Confident53 Ų5370.5 Ų70.521%0.20835%0.345CS..Hα-helixtrans-65.9-32179.4-68.8-69.7000113.2A55 F112 C118A55-Y114 HydrophobicContact CB-CD1 4.38Å; A55-Y114 HydrophobicContact CB-CD2 4.22Å; A55-Y114 HydrophobicContact CB-CG 4.02Å; F112-Y114 PolarHBondContact O-N 3.3Å; Y114-C118 VanDerWaalsContact O-CB 3.25Å; Y114-C118 WeakPolarHBondContact O-CB 3.44Å; Y114-C118 PolarHBondContact O-N 2.79Å
115M75.6Confident77.2Confident94 Ų9469.6 Ų69.646%0.46334%0.34SS..Hα-helixtrans-66.9-43.9174.4179.8178.1152.700111F112 Y113 G119F112-M115 HydrophobicContact CD1-SD 4.43Å; F112-M115 PolarHBondContact O-N 2.76Å; Y113-M115 VanDerWaalsContact C-N 3.3Å; Y113-M115 PolarHBondContact O-N 3.34Å; M115-G119 PolarHBondContact O-N 3.46Å
116L79.5Confident77Confident116 Ų11666.2 Ų66.261%0.60733%0.327SS*.Hα-helixtrans-64.8-43.7174.7-69.9175.5000111.5F112 Y113 G119 F120F112-L116 WeakPolarHBondContact O-CG 3.27Å; F112-L116 PolarHBondContact O-N 3.09Å; Y113-L116 PolarHBondContact O-N 3.19Å; L116-G119 PolarHBondContact O-N 3.09Å; L116-F120 VanDerWaalsContact O-CB 3.24Å; L116-F120 WeakPolarHBondContact O-CB 3.48Å; L116-F120 PolarHBondContact O-N 2.9Å
117K79.6Confident76.4Confident5 Ų562.9 Ų62.92%0.02232%0.32CS..Hα-helixtrans-57.6-50.8175.4-178.4-175.8170.3-167.90111.2N60 F96 E100 Y113 F120 L121N60-K117 PolarHBondContact OD1-NZ 3.46Å; F96-K117 HydrophobicContact CE1-CG 3.93Å; F96-K117 HydrophobicContact CZ-CG 3.97Å; E100-K117 HydrophobicContact CG-CD 4.28Å; E100-K117 WeakPolarHBondContact OE1-CE 3.47Å; E100-K117 IonicContact OE1-NZ 3.92Å; E100-K117 PolarHBondContact OE1-NZ 3.32Å; E100-K117 WeakPolarHBondContact OE2-CE 3.32Å; E100-K117 IonicContact OE2-NZ 3.15Å; E100-K117 PolarHBondContact OE2-NZ 3.32Å; Y113-K117 HydrophobicContact CE1-CD 4.45Å; Y113-K117 WeakPolarHBondContact O-CB 3.37Å; Y113-K117 PolarHBondContact O-N 3.42Å; K117-F120 PolarHBondContact O-N 2.71Å; K117-L121 HydrophobicContact CG-CD1 4.31Å; K117-L121 WeakPolarHBondContact O-CG 3.41Å; K117-L121 PolarHBondContact O-N 3.49Å
118C78.9Confident75.8Confident11 Ų1161 Ų617%0.07431%0.313CS..Hα-helixtrans-62.8-46.6179-172.60000111L49 Y114 F120 L121 L122L49-C118 HydrophobicContact CD1-CB 3.72Å; Y114-C118 VanDerWaalsContact O-CB 3.25Å; Y114-C118 WeakPolarHBondContact O-CB 3.44Å; Y114-C118 PolarHBondContact O-N 2.79Å; C118-F120 VanDerWaalsContact C-N 3.28Å; C118-F120 PolarHBondContact O-N 3.5Å; C118-L121 PolarHBondContact O-N 3.01Å; C118-L122 VanDerWaalsContact O-CB 3.32Å; C118-L122 WeakPolarHBondContact O-CB 3.49Å; C118-L122 WeakPolarHBondContact O-CG 3.34Å; C118-L122 PolarHBondContact O-N 3.2Å
119G82Confident75.3Confident37 Ų3762.8 Ų62.838%0.38132%0.323SS..Hα-helixtrans-58.9-39.2176.100000113M115 L116 W123M115-G119 PolarHBondContact O-N 3.46Å; L116-G119 PolarHBondContact O-N 3.09Å; G119-W123 VanDerWaalsContact O-CB 3.29Å; G119-W123 WeakPolarHBondContact O-CB 3.3Å; G119-W123 PolarHBondContact O-N 3.14Å
120F83.3Confident74.8Confident52 Ų5256.7 Ų56.723%0.22831%0.312CS..Hα-helixtrans-66.5-46.5176177.7-94.1000112.3F96 L116 K117 C118 L122 W123 C124 L136F96-F120 HydrophobicContact CB-CE1 4.16Å; F96-F120 HydrophobicContact CD1-CD1 4.35Å; F96-F120 HydrophobicContact CD1-CE1 4.2Å; F96-F120 AromaticContact CD2-CD1 3.75Å; F96-F120 HydrophobicContact CD2-CD1 3.75Å; F96-F120 AromaticContact CD2-CE1 3.22Å; F96-F120 HydrophobicContact CD2-CE1 3.22Å; F96-F120 AromaticContact CD2-CZ 3.85Å; F96-F120 HydrophobicContact CD2-CZ 3.85Å; F96-F120 HydrophobicContact CE1-CD1 4.19Å; F96-F120 HydrophobicContact CE1-CE1 4.45Å; F96-F120 AromaticContact CE2-CD1 3.55Å; F96-F120 HydrophobicContact CE2-CD1 3.55Å; F96-F120 AromaticContact CE2-CE1 3.53Å; F96-F120 HydrophobicContact CE2-CE1 3.53Å; F96-F120 HydrophobicContact CE2-CG 4.29Å; F96-F120 HydrophobicContact CE2-CZ 4.23Å; F96-F120 HydrophobicContact CG-CD1 4.14Å; F96-F120 AromaticContact CG-CE1 3.59Å; F96-F120 HydrophobicContact CG-CE1 3.59Å; F96-F120 HydrophobicContact CG-CZ 4.49Å; F96-F120 AromaticContact CZ-CD1 3.78Å; F96-F120 HydrophobicContact CZ-CD1 3.78Å; F96-F120 HydrophobicContact CZ-CE1 4.14Å; L116-F120 VanDerWaalsContact O-CB 3.24Å; L116-F120 WeakPolarHBondContact O-CB 3.48Å; L116-F120 PolarHBondContact O-N 2.9Å; K117-F120 PolarHBondContact O-N 2.71Å; C118-F120 VanDerWaalsContact C-N 3.28Å; C118-F120 PolarHBondContact O-N 3.5Å; F120-L122 VanDerWaalsContact C-N 3.34Å; F120-L122 PolarHBondContact O-N 3.38Å; F120-W123 HydrophobicContact CD2-CE3 4.12Å; F120-W123 HydrophobicContact CD2-CZ3 4.38Å; F120-W123 HydrophobicContact CE2-CE3 4.35Å; F120-W123 HydrophobicContact CE2-CZ3 4.25Å; F120-W123 PolarHBondContact O-N 3.36Å; F120-C124 PolarHBondContact O-N 3.42Å; F120-C124 PolarHBondContact O-SG 2.94Å; F120-L136 HydrophobicContact CE1-CD1 4.36Å; F120-L136 HydrophobicContact CE2-CD1 3.67Å; F120-L136 HydrophobicContact CZ-CD1 3.3Å
121L81.2Confident74.6Confident4 Ų453.1 Ų53.12%0.02130%0.297CS..Hα-helixtrans-63.5-41.1176.3-71.1176.1000111.6Y93 F96 K117 C118 W123 C124 M125Y93-L121 HydrophobicContact CD2-CD2 3.68Å; Y93-L121 HydrophobicContact CE2-CD1 4.46Å; Y93-L121 HydrophobicContact CE2-CD2 3.82Å; F96-L121 HydrophobicContact CD1-CD2 4.02Å; F96-L121 HydrophobicContact CE1-CD2 4.15Å; F96-L121 HydrophobicContact CE1-CG 4.33Å; K117-L121 HydrophobicContact CG-CD1 4.31Å; K117-L121 WeakPolarHBondContact O-CG 3.41Å; K117-L121 PolarHBondContact O-N 3.49Å; C118-L121 PolarHBondContact O-N 3.01Å; L121-W123 VanDerWaalsContact C-N 3.33Å; L121-W123 PolarHBondContact O-N 3.49Å; L121-C124 PolarHBondContact O-N 3.46Å; L121-M125 PolarHBondContact O-N 2.84Å
122L80.8Confident75.1Confident80 Ų8049.8 Ų49.842%0.41928%0.275SS..Hα-helixtrans-61.4-41.1173.7-73174.3000111.5I62 C118 F120 C124 M125 A126I62-L122 HydrophobicContact CG2-CD2 4.44Å; C118-L122 VanDerWaalsContact O-CB 3.32Å; C118-L122 WeakPolarHBondContact O-CB 3.49Å; C118-L122 WeakPolarHBondContact O-CG 3.34Å; C118-L122 PolarHBondContact O-N 3.2Å; F120-L122 VanDerWaalsContact C-N 3.34Å; F120-L122 PolarHBondContact O-N 3.38Å; L122-C124 VanDerWaalsContact C-N 3.33Å; L122-M125 HydrophobicContact CD2-CE 3.91Å; L122-M125 HydrophobicContact CD2-SD 3.75Å; L122-M125 VanDerWaalsContact O-CG 3.23Å; L122-M125 WeakPolarHBondContact O-CG 3.43Å; L122-M125 PolarHBondContact O-N 3.13Å; L122-A126 PolarHBondContact O-N 3.37Å; L122-A126 VanDerWaalsContact O-N 3.09Å
123W82.1Confident75.3Confident111 Ų11144.6 Ų44.642%0.4225%0.252SS..Hα-helixtrans-67.2-34.1175.717848.3000112.7G119 F120 L121 G132 L135G119-W123 VanDerWaalsContact O-CB 3.29Å; G119-W123 WeakPolarHBondContact O-CB 3.3Å; G119-W123 PolarHBondContact O-N 3.14Å; F120-W123 HydrophobicContact CD2-CE3 4.12Å; F120-W123 HydrophobicContact CD2-CZ3 4.38Å; F120-W123 HydrophobicContact CE2-CE3 4.35Å; F120-W123 HydrophobicContact CE2-CZ3 4.25Å; F120-W123 PolarHBondContact O-N 3.36Å; L121-W123 VanDerWaalsContact C-N 3.33Å; L121-W123 PolarHBondContact O-N 3.49Å; W123-G132 PolarHBondContact O-N 3.33Å; W123-L135 HydrophobicContact CH2-CD2 4.01Å; W123-L135 HydrophobicContact CZ2-CD2 4.15Å
124C80Confident75.6Confident2 Ų247.5 Ų47.51%0.01427%0.266CS..Hα-helixtrans-74.4-26.7175.4-66.60000113.3Y89 F120 L121 L122 N131 A133Y89-C124 HydrophobicContact CD2-CB 4.09Å; Y89-C124 WeakPolarHBondContact CD2-O 3.33Å; Y89-C124 HydrophobicContact CE2-CB 3.85Å; F120-C124 PolarHBondContact O-N 3.42Å; F120-C124 PolarHBondContact O-SG 2.94Å; L121-C124 PolarHBondContact O-N 3.46Å; L122-C124 VanDerWaalsContact C-N 3.33Å; C124-N131 PolarHBondContact O-ND2 2.87Å; C124-N131 PolarHBondContact O-OD1 3.44Å; C124-A133 HydrophobicContact CB-CB 4.27Å
125M73.8Confident76.1Confident19 Ų1948.9 Ų48.99%0.09428%0.277CS..Hα-helixtrans-88.4-12.4174.971178.372.300113.3I62 Y66 P67 Y89 L121 L122 P127I62-M125 HydrophobicContact CG2-CE 4.26Å; Y66-M125 HydrophobicContact CD1-SD 3.98Å; Y66-M125 HydrophobicContact CE1-SD 4.41Å; P67-M125 HydrophobicContact CG-CB 4.48Å; P67-M125 HydrophobicContact CG-CE 4.47Å; Y89-M125 HydrophobicContact CE2-CB 4.06Å; L121-M125 PolarHBondContact O-N 2.84Å; L122-M125 HydrophobicContact CD2-CE 3.91Å; L122-M125 HydrophobicContact CD2-SD 3.75Å; L122-M125 VanDerWaalsContact O-CG 3.23Å; L122-M125 WeakPolarHBondContact O-CG 3.43Å; L122-M125 PolarHBondContact O-N 3.13Å; M125-P127 WeakPolarHBondContact O-CD 3.37Å
126A72.5Confident76.7Confident31 Ų3146 Ų4626%0.25626%0.264SS..  trans-63.9124.7-175.100000111.1L122 S128 N131L122-A126 PolarHBondContact O-N 3.37Å; L122-A126 VanDerWaalsContact O-N 3.09Å; A126-S128 PolarHBondContact O-N 2.77Å; A126-N131 PolarHBondContact O-ND2 3.45Å
127P64Low76.9Confident76 Ų7644.3 Ų44.349%0.49425%0.25SC..  trans-76.666.9178.732.5-35.6000110.6F12 M125F12-P127 HydrophobicContact CD2-CG 3.86Å; F12-P127 HydrophobicContact CE2-CG 3.84Å; M125-P127 WeakPolarHBondContact O-CD 3.37Å
128S62.2Low77.2Confident33 Ų3350 Ų5023%0.23128%0.275CS..SBendtrans-118148.9-179.3173.40000109.6R8 A126 S130 N131R8-S128 PolarHBondContact NH1-OG 3.09Å; A126-S128 PolarHBondContact O-N 2.77Å; S128-S130 CarbonylContact O-C 3.59Å; S128-S130 PolarHBondContact O-N 3.38Å; S128-S130 PolarHBondContact OG-N 2.75Å; S128-N131 WeakPolarHBondContact O-CB 3.17Å; S128-N131 PolarHBondContact O-N 3.36Å
129P58.8Low77.5Confident108 Ų10858.6 Ų58.670%0.70131%0.305SS*.THydrogen-bonded Turntrans-57-13.6171.6-22.331.5000114
130S63.9Low77.7Confident79 Ų7961.5 Ų61.555%0.55231%0.311SS*.THydrogen-bonded Turntrans-113.450171.5-48.40000109.8S128 G132S128-S130 CarbonylContact O-C 3.59Å; S128-S130 PolarHBondContact O-N 3.38Å; S128-S130 PolarHBondContact OG-N 2.75Å; S130-G132 PolarHBondContact O-N 3.37Å
131N74.1Confident77.8Confident7 Ų760.1 Ų60.14%0.03731%0.306CS..  trans-59.3124.7176.1-175.3-32.3000107.9Q85 C124 A126 S128 A133 E134 L135Q85-N131 PolarHBondContact NE2-ND2 2.87Å; C124-N131 PolarHBondContact O-ND2 2.87Å; C124-N131 PolarHBondContact O-OD1 3.44Å; A126-N131 PolarHBondContact O-ND2 3.45Å; S128-N131 WeakPolarHBondContact O-CB 3.17Å; S128-N131 PolarHBondContact O-N 3.36Å; N131-A133 PolarHBondContact O-N 2.82Å; N131-A133 VanDerWaalsContact OD1-CB 3.31Å; N131-A133 WeakPolarHBondContact OD1-CB 3.39Å; N131-A133 PolarHBondContact OD1-N 3.11Å; N131-E134 HydrophobicContact CB-CB 4.22Å; N131-E134 PolarHBondContact O-N 3.33Å; N131-E134 VanDerWaalsContact O-N 3.11Å; N131-L135 PolarHBondContact O-N 3.5Å
132G78.8Confident78Confident0 Ų066.5 Ų66.50%033%0.329CS..Hα-helixtrans-55.4-35.7-179.500000112.1W123 S130 L135 L136W123-G132 PolarHBondContact O-N 3.33Å; S130-G132 PolarHBondContact O-N 3.37Å; G132-L135 PolarHBondContact O-N 2.87Å; G132-L136 WeakPolarHBondContact O-CB 3.21Å; G132-L136 WeakPolarHBondContact O-CD1 3.12Å; G132-L136 VanDerWaalsContact O-CG 3.25Å; G132-L136 WeakPolarHBondContact O-CG 3.42Å; G132-L136 PolarHBondContact O-N 3.18Å
133A80.7Confident78.3Confident1 Ų165.8 Ų65.81%0.00833%0.33CS..Hα-helixtrans-64.1-48.7176.600000111.9Y89 V92 C124 N131 L135 L136 Y137Y89-A133 HydrophobicContact CD2-CB 4.37Å; V92-A133 HydrophobicContact CB-CB 4.18Å; V92-A133 HydrophobicContact CG1-CB 4.44Å; V92-A133 HydrophobicContact CG2-CB 4.02Å; V92-A133 VanDerWaalsContact CG2-O 3.25Å; V92-A133 WeakPolarHBondContact CG2-O 3.11Å; C124-A133 HydrophobicContact CB-CB 4.27Å; N131-A133 PolarHBondContact O-N 2.82Å; N131-A133 VanDerWaalsContact OD1-CB 3.31Å; N131-A133 WeakPolarHBondContact OD1-CB 3.39Å; N131-A133 PolarHBondContact OD1-N 3.11Å; A133-L135 VanDerWaalsContact C-N 3.31Å; A133-L135 PolarHBondContact O-N 3.2Å; A133-L136 PolarHBondContact O-N 3.4Å; A133-Y137 VanDerWaalsContact O-CB 3.24Å; A133-Y137 WeakPolarHBondContact O-CB 3.33Å; A133-Y137 PolarHBondContact O-N 2.78Å
134E82.6Confident78.5Confident78 Ų7866.7 Ų66.736%0.36434%0.337SS..Hα-helixtrans-63.1-39.4179.7-168.1-174.9166.200111.9N131 Y137 K138N131-E134 HydrophobicContact CB-CB 4.22Å; N131-E134 PolarHBondContact O-N 3.33Å; N131-E134 VanDerWaalsContact O-N 3.11Å; E134-Y137 PolarHBondContact O-N 3.41Å; E134-K138 HydrophobicContact CG-CD 4.13Å; E134-K138 WeakPolarHBondContact O-CB 3.04Å; E134-K138 WeakPolarHBondContact O-CG 3.47Å; E134-K138 PolarHBondContact O-N 3.48Å; E134-K138 VanDerWaalsContact OE1-CE 3.26Å; E134-K138 WeakPolarHBondContact OE1-CE 3.45Å; E134-K138 IonicContact OE1-NZ 2.74Å; E134-K138 PolarHBondContact OE1-NZ 2.85Å
135L84.8Confident78.7Confident82 Ų8270.8 Ų70.843%0.42936%0.355SS..Hα-helixtrans-64-47.6177-177.165000111.7W123 N131 G132 A133 Y137 K138 R139W123-L135 HydrophobicContact CH2-CD2 4.01Å; W123-L135 HydrophobicContact CZ2-CD2 4.15Å; N131-L135 PolarHBondContact O-N 3.5Å; G132-L135 PolarHBondContact O-N 2.87Å; A133-L135 VanDerWaalsContact C-N 3.31Å; A133-L135 PolarHBondContact O-N 3.2Å; L135-Y137 VanDerWaalsContact C-N 3.34Å; L135-K138 PolarHBondContact O-N 2.87Å; L135-R139 WeakPolarHBondContact O-CB 3.31Å; L135-R139 PolarHBondContact O-N 3.5Å
136L86.2Confident79.2Confident35 Ų3574.1 Ų74.118%0.18337%0.372CS..Hα-helixtrans-65-40.9178.1-74.2164.9000111.6V92 F120 G132 A133 R139 I140 I141V92-L136 HydrophobicContact CG1-CB 4.09Å; V92-L136 HydrophobicContact CG1-CD1 3.63Å; V92-L136 HydrophobicContact CG2-CB 4.17Å; F120-L136 HydrophobicContact CE1-CD1 4.36Å; F120-L136 HydrophobicContact CE2-CD1 3.67Å; F120-L136 HydrophobicContact CZ-CD1 3.3Å; G132-L136 WeakPolarHBondContact O-CB 3.21Å; G132-L136 WeakPolarHBondContact O-CD1 3.12Å; G132-L136 VanDerWaalsContact O-CG 3.25Å; G132-L136 WeakPolarHBondContact O-CG 3.42Å; G132-L136 PolarHBondContact O-N 3.18Å; A133-L136 PolarHBondContact O-N 3.4Å; L136-R139 PolarHBondContact O-N 2.79Å; L136-I140 HydrophobicContact CD2-CD1 3.66Å; L136-I140 WeakPolarHBondContact O-CA 3.24Å; L136-I140 WeakPolarHBondContact O-CB 3.45Å; L136-I140 PolarHBondContact O-N 3.23Å; L136-I141 PolarHBondContact O-N 3.19Å
137Y85.2Confident79.8Confident79 Ų7980.1 Ų80.131%0.3139%0.393SS..Iπ-helixtrans-60.9-52.9176.5-177-98.6000111T88 V91 A133 E134 L135 R139 I141 R142T88-Y137 HydrophobicContact CG2-CD1 4.22Å; T88-Y137 HydrophobicContact CG2-CD2 4.24Å; T88-Y137 HydrophobicContact CG2-CG 3.74Å; V91-Y137 HydrophobicContact CG1-CD2 4.11Å; V91-Y137 HydrophobicContact CG1-CE2 4.13Å; A133-Y137 VanDerWaalsContact O-CB 3.24Å; A133-Y137 WeakPolarHBondContact O-CB 3.33Å; A133-Y137 PolarHBondContact O-N 2.78Å; E134-Y137 PolarHBondContact O-N 3.41Å; L135-Y137 VanDerWaalsContact C-N 3.34Å; Y137-R139 VanDerWaalsContact C-N 3.35Å; Y137-R139 PolarHBondContact O-N 3.14Å; Y137-I141 HydrophobicContact CD2-CB 3.99Å; Y137-I141 HydrophobicContact CD2-CD1 4.3Å; Y137-I141 HydrophobicContact CD2-CG2 4.03Å; Y137-I141 HydrophobicContact CE2-CG2 4.16Å; Y137-I141 PolarHBondContact O-N 3.32Å; Y137-R142 HydrophobicContact CE1-CB 4.38Å; Y137-R142 WeakPolarHBondContact O-CB 3.43Å; Y137-R142 PolarHBondContact O-N 3.25Å
138K84.8Confident80.9Confident126 Ų12678.4 Ų78.455%0.54838%0.378SS..Iπ-helixtrans-65-36-179.2-74.7178.3173174.30113E134 L135 P143E134-K138 HydrophobicContact CG-CD 4.13Å; E134-K138 WeakPolarHBondContact O-CB 3.04Å; E134-K138 WeakPolarHBondContact O-CG 3.47Å; E134-K138 PolarHBondContact O-N 3.48Å; E134-K138 VanDerWaalsContact OE1-CE 3.26Å; E134-K138 WeakPolarHBondContact OE1-CE 3.45Å; E134-K138 IonicContact OE1-NZ 2.74Å; E134-K138 PolarHBondContact OE1-NZ 2.85Å; L135-K138 PolarHBondContact O-N 2.87Å; K138-P143 WeakPolarHBondContact O-CD 3.32Å
139R86.2Confident81.9Confident190 Ų19080.6 Ų80.672%0.71738%0.384SS*.Iπ-helixtrans-91.3-33.5-171.2-164.9170.7-154.3162.75.4114.6L135 L136 Y137 P143L135-R139 WeakPolarHBondContact O-CB 3.31Å; L135-R139 PolarHBondContact O-N 3.5Å; L136-R139 PolarHBondContact O-N 2.79Å; Y137-R139 VanDerWaalsContact C-N 3.35Å; Y137-R139 PolarHBondContact O-N 3.14Å; R139-P143 VanDerWaalsContact O-CG 3.23Å; R139-P143 WeakPolarHBondContact O-CG 3.23Å
140I86.2Confident82.9Confident98 Ų9879.6 Ų79.650%0.50338%0.38SS..Iπ-helixtrans-117.2-56.9-172.8-54.6-178.4000110.2L136 P143 F144L136-I140 HydrophobicContact CD2-CD1 3.66Å; L136-I140 WeakPolarHBondContact O-CA 3.24Å; L136-I140 WeakPolarHBondContact O-CB 3.45Å; L136-I140 PolarHBondContact O-N 3.23Å; I140-P143 WeakPolarHBondContact O-CD 3.24Å; I140-P143 WeakPolarHBondContact O-CG 3.25Å; I140-F144 VanDerWaalsContact O-CB 3.32Å; I140-F144 WeakPolarHBondContact O-CB 3.5Å; I140-F144 PolarHBondContact O-N 3.43Å
141I85.2Confident84Confident23 Ų2381.3 Ų81.312%0.11838%0.379CS..Iπ-helixtrans-70.6-50.5-168.7-53.5179.9000110.9V91 V92 V95 L136 Y137 F144 F145V91-I141 HydrophobicContact CG1-CD1 4Å; V91-I141 HydrophobicContact CG1-CG2 3.9Å; V92-I141 HydrophobicContact CB-CD1 4.21Å; V92-I141 HydrophobicContact CG2-CD1 3.54Å; V95-I141 HydrophobicContact CB-CD1 4.24Å; V95-I141 HydrophobicContact CG2-CD1 3.95Å; V95-I141 HydrophobicContact CG2-CG1 4.34Å; L136-I141 PolarHBondContact O-N 3.19Å; Y137-I141 HydrophobicContact CD2-CB 3.99Å; Y137-I141 HydrophobicContact CD2-CD1 4.3Å; Y137-I141 HydrophobicContact CD2-CG2 4.03Å; Y137-I141 HydrophobicContact CE2-CG2 4.16Å; Y137-I141 PolarHBondContact O-N 3.32Å; I141-F144 PolarHBondContact O-N 2.78Å; I141-F145 VanDerWaalsContact O-CB 3.3Å; I141-F145 WeakPolarHBondContact O-CB 3.32Å; I141-F145 PolarHBondContact O-N 2.88Å
142R85.2Confident84.4Confident138 Ų13885 Ų8552%0.52140%0.398SS..Hα-helixtrans-57-51.2-179.8-176.7175.3-175.9-98.8-1.2113.3Y137 F144 F145 L146Y137-R142 HydrophobicContact CE1-CB 4.38Å; Y137-R142 WeakPolarHBondContact O-CB 3.43Å; Y137-R142 PolarHBondContact O-N 3.25Å; R142-F144 VanDerWaalsContact C-N 3.32Å; R142-F144 PolarHBondContact O-N 3.5Å; R142-F145 PolarHBondContact O-N 3.22Å; R142-L146 HydrophobicContact CG-CD1 3.93Å; R142-L146 HydrophobicContact CG-CG 4.42Å; R142-L146 WeakPolarHBondContact O-CB 3.37Å; R142-L146 WeakPolarHBondContact O-CG 3.38Å; R142-L146 PolarHBondContact O-N 3.37Å
143P86.9Confident84.9Confident65 Ų6589.6 Ų89.642%0.42242%0.422SS..Hα-helixtrans-66.7-33.417823.3-31.7000112.7K138 R139 I140 K147K138-P143 WeakPolarHBondContact O-CD 3.32Å; R139-P143 VanDerWaalsContact O-CG 3.23Å; R139-P143 WeakPolarHBondContact O-CG 3.23Å; I140-P143 WeakPolarHBondContact O-CD 3.24Å; I140-P143 WeakPolarHBondContact O-CG 3.25Å; P143-K147 VanDerWaalsContact O-CB 3.23Å; P143-K147 WeakPolarHBondContact O-CB 3.32Å; P143-K147 PolarHBondContact O-N 2.97Å; P143-K147 VanDerWaalsContact O-N 3.14Å
144F86.2Confident85.2Confident131 Ų13192.1 Ų92.158%0.57544%0.44SS*.Hα-helixtrans-68.5-43.7175.6-170.5-93.2000111.7I140 I141 R142 K147 H148I140-F144 VanDerWaalsContact O-CB 3.32Å; I140-F144 WeakPolarHBondContact O-CB 3.5Å; I140-F144 PolarHBondContact O-N 3.43Å; I141-F144 PolarHBondContact O-N 2.78Å; R142-F144 VanDerWaalsContact C-N 3.32Å; R142-F144 PolarHBondContact O-N 3.5Å; F144-K147 PolarHBondContact O-N 3.22Å; F144-H148 AromaticContact CD1-ND1 4Å; F144-H148 AromaticContact CD2-CE1 3.7Å; F144-H148 AromaticContact CD2-ND1 3.86Å; F144-H148 AromaticContact CE1-ND1 3.91Å; F144-H148 AromaticContact CE2-CE1 3.39Å; F144-H148 WeakPolarHBondContact CE2-CE1 3.36Å; F144-H148 AromaticContact CE2-ND1 3.77Å; F144-H148 AromaticContact CG-ND1 3.98Å; F144-H148 AromaticContact CZ-CE1 3.72Å; F144-H148 AromaticContact CZ-ND1 3.79Å; F144-H148 PolarHBondContact O-N 3.23Å; F144-H148 PolarHBondContact O-ND1 2.91Å
145F84.8Confident85.6Confident87 Ų8792.2 Ų92.238%0.38245%0.446SS..Hα-helixtrans-61.6-54.2176.9-176-94.9000110.9I141 R142 K147 H148 E149 M152I141-F145 VanDerWaalsContact O-CB 3.3Å; I141-F145 WeakPolarHBondContact O-CB 3.32Å; I141-F145 PolarHBondContact O-N 2.88Å; R142-F145 PolarHBondContact O-N 3.22Å; F145-K147 PolarHBondContact O-N 2.83Å; F145-H148 CarbonylContact O-C 3.57Å; F145-H148 PolarHBondContact O-N 3.5Å; F145-E149 HydrophobicContact CE1-CB 4.44Å; F145-E149 HydrophobicContact CE1-CG 4.1Å; F145-E149 HydrophobicContact CZ-CG 4.38Å; F145-E149 WeakPolarHBondContact O-CA 3.23Å; F145-E149 WeakPolarHBondContact O-CB 3.32Å; F145-E149 PolarHBondContact O-N 2.67Å; F145-M152 HydrophobicContact CD2-CE 4.25Å; F145-M152 HydrophobicContact CD2-SD 3.96Å; F145-M152 HydrophobicContact CE2-CE 4.02Å; F145-M152 HydrophobicContact CE2-SD 4.11Å
146L84.4Confident85.9Confident90 Ų9092.7 Ų92.747%0.47145%0.452SS..Hα-helixtrans-61-30.3-180-69.1174.3000113.2R142R142-L146 HydrophobicContact CG-CD1 3.93Å; R142-L146 HydrophobicContact CG-CG 4.42Å; R142-L146 WeakPolarHBondContact O-CB 3.37Å; R142-L146 WeakPolarHBondContact O-CG 3.38Å; R142-L146 PolarHBondContact O-N 3.37Å
147K85.3Confident86.2Confident156 Ų15697.3 Ų97.368%0.67847%0.47SS*.Hα-helixtrans-72.2-29.4176.3-176.1175.5178.5-176.40112.8P143 F144 F145P143-K147 VanDerWaalsContact O-CB 3.23Å; P143-K147 WeakPolarHBondContact O-CB 3.32Å; P143-K147 PolarHBondContact O-N 2.97Å; P143-K147 VanDerWaalsContact O-N 3.14Å; F144-K147 PolarHBondContact O-N 3.22Å; F145-K147 PolarHBondContact O-N 2.83Å
148H85.7Confident86.6Confident41 Ų4197.9 Ų97.919%0.1948%0.479CS..Hα-helixtrans-1164.6-174.4-57.490.6000113.4F144 F145 S150 Q151 M152F144-H148 AromaticContact CD1-ND1 4Å; F144-H148 AromaticContact CD2-CE1 3.7Å; F144-H148 AromaticContact CD2-ND1 3.86Å; F144-H148 AromaticContact CE1-ND1 3.91Å; F144-H148 AromaticContact CE2-CE1 3.39Å; F144-H148 WeakPolarHBondContact CE2-CE1 3.36Å; F144-H148 AromaticContact CE2-ND1 3.77Å; F144-H148 AromaticContact CG-ND1 3.98Å; F144-H148 AromaticContact CZ-CE1 3.72Å; F144-H148 AromaticContact CZ-ND1 3.79Å; F144-H148 PolarHBondContact O-N 3.23Å; F144-H148 PolarHBondContact O-ND1 2.91Å; F145-H148 CarbonylContact O-C 3.57Å; F145-H148 PolarHBondContact O-N 3.5Å; H148-S150 VanDerWaalsContact C-N 3.3Å; H148-S150 PolarHBondContact O-N 3.16Å; H148-Q151 CarbonylContact O-C 3.59Å; H148-Q151 WeakPolarHBondContact O-CA 3.25Å; H148-Q151 WeakPolarHBondContact O-CB 3.39Å; H148-Q151 PolarHBondContact O-N 3.43Å; H148-M152 HydrophobicContact CB-CG 4.47Å; H148-M152 WeakPolarHBondContact O-CG 3.39Å; H148-M152 PolarHBondContact O-N 2.82Å
149E84.3Confident87.1Confident78 Ų7897.1 Ų97.136%0.36448%0.48SS..Hα-helixtrans-52-48.5-177.1-176.3177.7179.400111.2F145 Q151 M152 D153F145-E149 HydrophobicContact CE1-CB 4.44Å; F145-E149 HydrophobicContact CE1-CG 4.1Å; F145-E149 HydrophobicContact CZ-CG 4.38Å; F145-E149 WeakPolarHBondContact O-CA 3.23Å; F145-E149 WeakPolarHBondContact O-CB 3.32Å; F145-E149 PolarHBondContact O-N 2.67Å; E149-Q151 VanDerWaalsContact C-N 3.31Å; E149-Q151 PolarHBondContact O-N 3.37Å; E149-M152 PolarHBondContact O-N 2.84Å; E149-D153 WeakPolarHBondContact O-CB 3.4Å; E149-D153 PolarHBondContact O-N 3.35Å
150S80.3Confident87.4Confident88 Ų8895.3 Ų95.362%0.61548%0.477SS*.Hα-helixtrans-63-34.3177.960.30000113.8H148 S154H148-S150 VanDerWaalsContact C-N 3.3Å; H148-S150 PolarHBondContact O-N 3.16Å; S150-S154 WeakPolarHBondContact O-CB 3.4Å; S150-S154 PolarHBondContact O-N 3.37Å; S150-S154 PolarHBondContact O-OG 2.83Å
151Q85.6Confident87.8Confident114 Ų11494.3 Ų94.353%0.53347%0.473SS..Hα-helixtrans-75.5-38.6176.5-62.1-179.727.200111.2H148 E149 S154 V155H148-Q151 CarbonylContact O-C 3.59Å; H148-Q151 WeakPolarHBondContact O-CA 3.25Å; H148-Q151 WeakPolarHBondContact O-CB 3.39Å; H148-Q151 PolarHBondContact O-N 3.43Å; E149-Q151 VanDerWaalsContact C-N 3.31Å; E149-Q151 PolarHBondContact O-N 3.37Å; Q151-S154 WeakPolarHBondContact CA-OG 3.34Å; Q151-S154 PolarHBondContact O-N 3.25Å; Q151-S154 PolarHBondContact O-OG 2.93Å; Q151-V155 WeakPolarHBondContact O-CB 3.33Å; Q151-V155 VanDerWaalsContact O-CG2 3.26Å; Q151-V155 WeakPolarHBondContact O-CG2 3.15Å; Q151-V155 PolarHBondContact O-N 3.29Å
152M83.6Confident88.2Confident86 Ų8699.9 Ų99.942%0.42450%0.496SS..Hα-helixtrans-64.9-44.8175.6-71.4-176.761.600110.4F145 H148 E149 S154 V155 V156F145-M152 HydrophobicContact CD2-CE 4.25Å; F145-M152 HydrophobicContact CD2-SD 3.96Å; F145-M152 HydrophobicContact CE2-CE 4.02Å; F145-M152 HydrophobicContact CE2-SD 4.11Å; H148-M152 HydrophobicContact CB-CG 4.47Å; H148-M152 WeakPolarHBondContact O-CG 3.39Å; H148-M152 PolarHBondContact O-N 2.82Å; E149-M152 PolarHBondContact O-N 2.84Å; M152-S154 VanDerWaalsContact C-N 3.35Å; M152-S154 PolarHBondContact O-N 3.34Å; M152-V155 PolarHBondContact O-N 3.48Å; M152-V156 WeakPolarHBondContact O-CB 3.36Å; M152-V156 VanDerWaalsContact O-CG2 3.29Å; M152-V156 WeakPolarHBondContact O-CG2 3.42Å; M152-V156 PolarHBondContact O-N 3.46Å
153D87.9Confident88.7Confident95 Ų9596.2 Ų96.251%0.50850%0.496SS..Hα-helixtrans-62.8-40.5176.3-74.5-14.4000111.8E149 V156 K157E149-D153 WeakPolarHBondContact O-CB 3.4Å; E149-D153 PolarHBondContact O-N 3.35Å; D153-V156 PolarHBondContact O-N 2.88Å; D153-K157 VanDerWaalsContact O-CB 3.23Å; D153-K157 WeakPolarHBondContact O-CB 3.21Å; D153-K157 PolarHBondContact O-N 2.8Å
154S88.8Confident89.1Confident54 Ų5499.5 Ų99.538%0.37850%0.503SS..Hα-helixtrans-64.7-42.9174.665.30000111.7S150 Q151 M152 K157 D158S150-S154 WeakPolarHBondContact O-CB 3.4Å; S150-S154 PolarHBondContact O-N 3.37Å; S150-S154 PolarHBondContact O-OG 2.83Å; Q151-S154 WeakPolarHBondContact CA-OG 3.34Å; Q151-S154 PolarHBondContact O-N 3.25Å; Q151-S154 PolarHBondContact O-OG 2.93Å; M152-S154 VanDerWaalsContact C-N 3.35Å; M152-S154 PolarHBondContact O-N 3.34Å; S154-K157 PolarHBondContact O-N 3.47Å; S154-D158 WeakPolarHBondContact O-CB 3.24Å; S154-D158 PolarHBondContact O-N 2.85Å
155V91Very high89.5Confident81 Ų8199.8 Ų99.849%0.49151%0.506SS..Hα-helixtrans-64-44177.3169.20000111.2Q151 M152 K157 D158 L159Q151-V155 WeakPolarHBondContact O-CB 3.33Å; Q151-V155 VanDerWaalsContact O-CG2 3.26Å; Q151-V155 WeakPolarHBondContact O-CG2 3.15Å; Q151-V155 PolarHBondContact O-N 3.29Å; M152-V155 PolarHBondContact O-N 3.48Å; V155-K157 VanDerWaalsContact C-N 3.32Å; V155-K157 PolarHBondContact O-N 3.29Å; V155-D158 PolarHBondContact O-N 3.38Å; V155-L159 HydrophobicContact CG1-CD1 3.97Å; V155-L159 HydrophobicContact CG1-CG 4.4Å; V155-L159 WeakPolarHBondContact O-CB 3.37Å; V155-L159 VanDerWaalsContact O-CG 3.23Å; V155-L159 WeakPolarHBondContact O-CG 3.33Å; V155-L159 PolarHBondContact O-N 3.43Å
156V91.3Very high89.9Confident92 Ų9299.5 Ų99.556%0.55851%0.512SS*.Hα-helixtrans-62.3-42.1177170.20000110.6M152 D153 K160M152-V156 WeakPolarHBondContact O-CB 3.36Å; M152-V156 VanDerWaalsContact O-CG2 3.29Å; M152-V156 WeakPolarHBondContact O-CG2 3.42Å; M152-V156 PolarHBondContact O-N 3.46Å; D153-V156 PolarHBondContact O-N 2.88Å; V156-K160 WeakPolarHBondContact O-CB 3.24Å; V156-K160 PolarHBondContact O-N 2.82Å
157K92.1Very high90.5Very high132 Ų13297.6 Ų97.657%0.57451%0.509SS*.Hα-helixtrans-64.8-47.8176.6-173.9-178.7176.1-1730111.8D153 S154 V155 L159 K160 D161D153-K157 VanDerWaalsContact O-CB 3.23Å; D153-K157 WeakPolarHBondContact O-CB 3.21Å; D153-K157 PolarHBondContact O-N 2.8Å; S154-K157 PolarHBondContact O-N 3.47Å; V155-K157 VanDerWaalsContact C-N 3.32Å; V155-K157 PolarHBondContact O-N 3.29Å; K157-L159 VanDerWaalsContact C-N 3.31Å; K157-L159 PolarHBondContact O-N 2.85Å; K157-K160 WeakPolarHBondContact O-CB 3.21Å; K157-K160 PolarHBondContact O-N 3.31Å; K157-K160 VanDerWaalsContact O-N 3.12Å; K157-D161 WeakPolarHBondContact O-CB 3.27Å; K157-D161 PolarHBondContact O-N 2.8Å
158D93.6Very high90.9Very high90 Ų9094.5 Ų94.548%0.48150%0.5SS..Hα-helixtrans-60.9-40.4178.4-71.2-12.2000111.5S154 V155 D161 K162S154-D158 WeakPolarHBondContact O-CB 3.24Å; S154-D158 PolarHBondContact O-N 2.85Å; V155-D158 PolarHBondContact O-N 3.38Å; D158-D161 PolarHBondContact O-N 3.25Å; D158-K162 WeakPolarHBondContact O-CB 3.38Å; D158-K162 VanDerWaalsContact O-CG 3.31Å; D158-K162 WeakPolarHBondContact O-CG 3.26Å; D158-K162 PolarHBondContact O-N 2.85Å
159L93.8Very high91.4Very high110 Ų11095 Ų9558%0.57651%0.512SS*.Hα-helixtrans-64.2-43.2174.2-73.5172.8000111.7V155 K157 A163V155-L159 HydrophobicContact CG1-CD1 3.97Å; V155-L159 HydrophobicContact CG1-CG 4.4Å; V155-L159 WeakPolarHBondContact O-CB 3.37Å; V155-L159 VanDerWaalsContact O-CG 3.23Å; V155-L159 WeakPolarHBondContact O-CG 3.33Å; V155-L159 PolarHBondContact O-N 3.43Å; K157-L159 VanDerWaalsContact C-N 3.31Å; K157-L159 PolarHBondContact O-N 2.85Å; L159-A163 WeakPolarHBondContact O-CB 3.38Å; L159-A163 PolarHBondContact O-N 3.21Å
160K93.6Very high91.9Very high152 Ų15296.6 Ų96.666%0.66152%0.521SS*.Hα-helixtrans-63.7-43.4176.7-177.6-179.8179.3179.40111.8V156 K157 A163 K164V156-K160 WeakPolarHBondContact O-CB 3.24Å; V156-K160 PolarHBondContact O-N 2.82Å; K157-K160 WeakPolarHBondContact O-CB 3.21Å; K157-K160 PolarHBondContact O-N 3.31Å; K157-K160 VanDerWaalsContact O-N 3.12Å; K160-A163 PolarHBondContact O-N 2.83Å; K160-K164 WeakPolarHBondContact O-CB 3.37Å; K160-K164 PolarHBondContact O-N 2.98Å
161D94.5Very high92.6Very high77 Ų7795.7 Ų95.741%0.41251%0.512SS..Hα-helixtrans-68.2-44.1-179.5-71.5-18000110.6K157 D158 A163 K164 E165K157-D161 WeakPolarHBondContact O-CB 3.27Å; K157-D161 PolarHBondContact O-N 2.8Å; D158-D161 PolarHBondContact O-N 3.25Å; D161-A163 PolarHBondContact O-N 3.36Å; D161-K164 PolarHBondContact O-N 3.07Å; D161-E165 WeakPolarHBondContact O-CB 3.45Å; D161-E165 PolarHBondContact O-N 2.87Å
162K94.3Very high93Very high140 Ų14096.4 Ų96.461%0.60951%0.514SS*.Hα-helixtrans-61.6-41.3172.1-76.6-178.6178.7-174.60112.9D158 K164 E165 T166D158-K162 WeakPolarHBondContact O-CB 3.38Å; D158-K162 VanDerWaalsContact O-CG 3.31Å; D158-K162 WeakPolarHBondContact O-CG 3.26Å; D158-K162 PolarHBondContact O-N 2.85Å; K162-K164 VanDerWaalsContact C-N 3.33Å; K162-E165 PolarHBondContact O-N 2.6Å; K162-T166 WeakPolarHBondContact O-CB 3.32Å; K162-T166 PolarHBondContact O-N 3.34Å; K162-T166 PolarHBondContact O-OG1 2.96Å
163A94.5Very high93.5Very high62 Ų6297.4 Ų97.451%0.51252%0.517SS..Hα-helixtrans-63.3-41.717700000111.2L159 K160 D161 T166 A167L159-A163 WeakPolarHBondContact O-CB 3.38Å; L159-A163 PolarHBondContact O-N 3.21Å; K160-A163 PolarHBondContact O-N 2.83Å; D161-A163 PolarHBondContact O-N 3.36Å; A163-T166 PolarHBondContact O-N 3.35Å; A163-A167 WeakPolarHBondContact O-CB 3.48Å; A163-A167 PolarHBondContact O-N 3.15Å
164K95.1Very high93.8Very high133 Ų13395.3 Ų95.358%0.57851%0.513SS*.Hα-helixtrans-66.2-45.9176.1-173.1-179.5175.7-173.10112K160 D161 K162 T166 A167 D168K160-K164 WeakPolarHBondContact O-CB 3.37Å; K160-K164 PolarHBondContact O-N 2.98Å; D161-K164 PolarHBondContact O-N 3.07Å; K162-K164 VanDerWaalsContact C-N 3.33Å; K164-T166 VanDerWaalsContact C-N 3.3Å; K164-T166 PolarHBondContact O-N 3.12Å; K164-A167 PolarHBondContact O-N 2.92Å; K164-D168 WeakPolarHBondContact O-CB 3.12Å; K164-D168 PolarHBondContact O-N 3.27Å
165E94.8Very high94.1Very high137 Ų13799.6 Ų99.664%0.6453%0.525SS*.Hα-helixtrans-58.8-43.4176.3-174.5-178.3-178.100111.4D161 K162 D168 A169D161-E165 WeakPolarHBondContact O-CB 3.45Å; D161-E165 PolarHBondContact O-N 2.87Å; K162-E165 PolarHBondContact O-N 2.6Å; E165-D168 PolarHBondContact O-N 3.35Å; E165-A169 WeakPolarHBondContact O-CB 3.49Å; E165-A169 PolarHBondContact O-N 2.95Å
166T94.3Very high94.2Very high82 Ų82100.2 Ų100.250%0.50352%0.521SS..Hα-helixtrans-62.5-44.3176.1-54.70000111.2K162 A163 K164 A169 I170K162-T166 WeakPolarHBondContact O-CB 3.32Å; K162-T166 PolarHBondContact O-N 3.34Å; K162-T166 PolarHBondContact O-OG1 2.96Å; A163-T166 PolarHBondContact O-N 3.35Å; K164-T166 VanDerWaalsContact C-N 3.3Å; K164-T166 PolarHBondContact O-N 3.12Å; T166-A169 PolarHBondContact O-N 3.18Å; T166-I170 HydrophobicContact CG2-CD1 3.99Å; T166-I170 VanDerWaalsContact O-CG1 3.26Å; T166-I170 WeakPolarHBondContact O-CG1 3.23Å; T166-I170 PolarHBondContact O-N 3.48Å
167A95.4Very high94.3Very high49 Ų4998.2 Ų98.241%0.40551%0.514SS..Hα-helixtrans-63.7-40.9176.700000112.5A163 K164 T171A163-A167 WeakPolarHBondContact O-CB 3.48Å; A163-A167 PolarHBondContact O-N 3.15Å; K164-A167 PolarHBondContact O-N 2.92Å; A167-T171 WeakPolarHBondContact O-CB 3.34Å; A167-T171 PolarHBondContact O-N 3.12Å; A167-T171 PolarHBondContact O-OG1 3.22Å
168D95.2Very high94.3Very high92 Ų9295.7 Ų95.749%0.49251%0.509SS..Hα-helixtrans-67.6-40177.3-74.2-25.6000111.4K164 E165 T171 K172K164-D168 WeakPolarHBondContact O-CB 3.12Å; K164-D168 PolarHBondContact O-N 3.27Å; E165-D168 PolarHBondContact O-N 3.35Å; D168-T171 PolarHBondContact O-N 3.02Å; D168-K172 WeakPolarHBondContact O-CB 3.32Å; D168-K172 PolarHBondContact O-N 2.9Å
169A94.8Very high94.2Very high52 Ų5296 Ų9643%0.4351%0.514SS..Hα-helixtrans-63.2-47.717500000111.7E165 T166 T171 K172 E173E165-A169 WeakPolarHBondContact O-CB 3.49Å; E165-A169 PolarHBondContact O-N 2.95Å; T166-A169 PolarHBondContact O-N 3.18Å; A169-T171 VanDerWaalsContact C-N 3.31Å; A169-T171 PolarHBondContact O-N 3.49Å; A169-K172 PolarHBondContact O-N 3.46Å; A169-E173 WeakPolarHBondContact O-CG 3.29Å; A169-E173 PolarHBondContact O-N 2.96Å
170I95.2Very high94Very high111 Ų11195.9 Ų95.957%0.56952%0.515SS*.Hα-helixtrans-58.9-45175.2-68.8166.9000110.4T166 K172 E173 A174T166-I170 HydrophobicContact CG2-CD1 3.99Å; T166-I170 VanDerWaalsContact O-CG1 3.26Å; T166-I170 WeakPolarHBondContact O-CG1 3.23Å; T166-I170 PolarHBondContact O-N 3.48Å; I170-K172 VanDerWaalsContact C-N 3.32Å; I170-K172 PolarHBondContact O-N 3.22Å; I170-E173 PolarHBondContact O-N 3.14Å; I170-A174 VanDerWaalsContact O-CB 3.3Å; I170-A174 WeakPolarHBondContact O-CB 3.22Å; I170-A174 PolarHBondContact O-N 2.8Å
171T95Very high93.8Very high69 Ų6994.2 Ų94.242%0.42351%0.512SS..Hα-helixtrans-62.9-39.1178.8-58.60000111.8A167 D168 A169 K175A167-T171 WeakPolarHBondContact O-CB 3.34Å; A167-T171 PolarHBondContact O-N 3.12Å; A167-T171 PolarHBondContact O-OG1 3.22Å; D168-T171 PolarHBondContact O-N 3.02Å; A169-T171 VanDerWaalsContact C-N 3.31Å; A169-T171 PolarHBondContact O-N 3.49Å; T171-K175 WeakPolarHBondContact O-CB 3.39Å; T171-K175 WeakPolarHBondContact O-CG 3.46Å; T171-K175 PolarHBondContact O-N 2.98Å
172K94.6Very high93.4Very high129 Ų12995.5 Ų95.556%0.56152%0.518SS*.Hα-helixtrans-68.8-43.7178.4-172.1177.3-178.5179.20111.9D168 A169 I170 K175 K176D168-K172 WeakPolarHBondContact O-CB 3.32Å; D168-K172 PolarHBondContact O-N 2.9Å; A169-K172 PolarHBondContact O-N 3.46Å; I170-K172 VanDerWaalsContact C-N 3.32Å; I170-K172 PolarHBondContact O-N 3.22Å; K172-K175 PolarHBondContact O-N 3.06Å; K172-K176 WeakPolarHBondContact O-CG 3.3Å; K172-K176 PolarHBondContact O-N 3.47Å
173E94.1Very high92.9Very high107 Ų10790.6 Ų90.650%0.551%0.508SS..Hα-helixtrans-67.2-39.2176.4-67.5-52.3128.300111.6A169 I170 K176 A177A169-E173 WeakPolarHBondContact O-CG 3.29Å; A169-E173 PolarHBondContact O-N 2.96Å; I170-E173 PolarHBondContact O-N 3.14Å; E173-K176 PolarHBondContact O-N 2.91Å; E173-K176 IonicContact OE1-NZ 3.34Å; E173-K176 PolarHBondContact OE1-NZ 3.43Å; E173-K176 IonicContact OE2-NZ 3.55Å; E173-A177 WeakPolarHBondContact O-CB 3.46Å; E173-A177 PolarHBondContact O-N 2.94Å
174A94Very high92.2Very high51 Ų5194 Ų9442%0.42151%0.513SS..Hα-helixtrans-59.6-47.8172.100000111.7I170 K176 A177 T178I170-A174 VanDerWaalsContact O-CB 3.3Å; I170-A174 WeakPolarHBondContact O-CB 3.22Å; I170-A174 PolarHBondContact O-N 2.8Å; A174-K176 PolarHBondContact O-N 3.28Å; A174-A177 PolarHBondContact O-N 3.35Å; A174-T178 PolarHBondContact O-N 3.48Å; A174-T178 PolarHBondContact O-OG1 3.34Å
175K94.5Very high91.3Very high144 Ų14494 Ų9463%0.62652%0.515SS*.Hα-helixtrans-59.4-43.5175.6-78.3-179.9179.5-178.90112.3T171 K172 T178 V179T171-K175 WeakPolarHBondContact O-CB 3.39Å; T171-K175 WeakPolarHBondContact O-CG 3.46Å; T171-K175 PolarHBondContact O-N 2.98Å; K172-K175 PolarHBondContact O-N 3.06Å; K175-T178 PolarHBondContact O-N 3.44Å; K175-V179 VanDerWaalsContact O-CG2 3.28Å; K175-V179 WeakPolarHBondContact O-CG2 3.31Å; K175-V179 PolarHBondContact O-N 3.27Å
176K93.6Very high90.2Very high94 Ų9495.9 Ų95.941%0.40952%0.521SS..Hα-helixtrans-62.8-45.3176.6-75.2176-176.6170.40111.8K172 E173 A174 T178 V179 N180K172-K176 WeakPolarHBondContact O-CG 3.3Å; K172-K176 PolarHBondContact O-N 3.47Å; E173-K176 PolarHBondContact O-N 2.91Å; E173-K176 IonicContact OE1-NZ 3.34Å; E173-K176 PolarHBondContact OE1-NZ 3.43Å; E173-K176 IonicContact OE2-NZ 3.55Å; A174-K176 PolarHBondContact O-N 3.28Å; K176-T178 PolarHBondContact O-N 2.99Å; K176-V179 PolarHBondContact O-N 3.33Å; K176-N180 VanDerWaalsContact O-CG 3.29Å; K176-N180 PolarHBondContact O-N 2.85Å
177A93.5Very high89Confident49 Ų49101 Ų10141%0.40554%0.536SS..Hα-helixtrans-60.1-46.2177.500000111.1E173 A174 V179 N180 L181E173-A177 WeakPolarHBondContact O-CB 3.46Å; E173-A177 PolarHBondContact O-N 2.94Å; A174-A177 PolarHBondContact O-N 3.35Å; A177-V179 PolarHBondContact O-N 3.02Å; A177-N180 PolarHBondContact O-N 3.38Å; A177-L181 VanDerWaalsContact O-CG 3.28Å; A177-L181 WeakPolarHBondContact O-CG 3.46Å; A177-L181 PolarHBondContact O-N 2.97Å
178T92.5Very high87.6Confident79 Ų79103.8 Ų103.849%0.48555%0.553SS.*Hα-helixtrans-60.6-43.1175.8-53.10000112.3A174 K175 K176 L181 L182A174-T178 PolarHBondContact O-N 3.48Å; A174-T178 PolarHBondContact O-OG1 3.34Å; K175-T178 PolarHBondContact O-N 3.44Å; K176-T178 PolarHBondContact O-N 2.99Å; T178-L181 PolarHBondContact O-N 2.83Å; T178-L182 HydrophobicContact CG2-CD1 4.12Å; T178-L182 WeakPolarHBondContact O-CG 3.36Å; T178-L182 PolarHBondContact O-N 3.36Å
179V91.3Very high85.9Confident96 Ų96107.7 Ų107.758%0.58258%0.581SS**Hα-helixtrans-64.4-41.1177.8169.80000111.6K175 K176 A177 L182 G183K175-V179 VanDerWaalsContact O-CG2 3.28Å; K175-V179 WeakPolarHBondContact O-CG2 3.31Å; K175-V179 PolarHBondContact O-N 3.27Å; K176-V179 PolarHBondContact O-N 3.33Å; A177-V179 PolarHBondContact O-N 3.02Å; V179-L182 PolarHBondContact O-N 2.8Å; V179-G183 PolarHBondContact O-N 3.04Å
180N89.7Confident85.5Confident109 Ų109110.5 Ų110.558%0.58359%0.588SS**Hα-helixtrans-64.2-44.3177.5-71.4-12.2000111.4K176 A177 G183 E184K176-N180 VanDerWaalsContact O-CG 3.29Å; K176-N180 PolarHBondContact O-N 2.85Å; A177-N180 PolarHBondContact O-N 3.38Å; N180-G183 PolarHBondContact O-N 3.17Å; N180-E184 WeakPolarHBondContact O-CG 3.41Å; N180-E184 PolarHBondContact O-N 3.35Å
181L88.4Confident84.9Confident116 Ų116110.5 Ų110.561%0.60759%0.589SS**Hα-helixtrans-60.8-45.5176.7-69.1171000112.1A177 T178 G183 E184 E185A177-L181 VanDerWaalsContact O-CG 3.28Å; A177-L181 WeakPolarHBondContact O-CG 3.46Å; A177-L181 PolarHBondContact O-N 2.97Å; T178-L181 PolarHBondContact O-N 2.83Å; L181-G183 VanDerWaalsContact C-N 3.3Å; L181-G183 PolarHBondContact O-N 3.1Å; L181-E184 PolarHBondContact O-N 2.88Å; L181-E185 PolarHBondContact O-N 2.94Å
182L85.9Confident84.4Confident104 Ų104112.8 Ų112.855%0.54560%0.598SS.*Hα-helixtrans-64.9-33.4176.2-70.7170.8000112.6T178 V179 K186T178-L182 HydrophobicContact CG2-CD1 4.12Å; T178-L182 WeakPolarHBondContact O-CG 3.36Å; T178-L182 PolarHBondContact O-N 3.36Å; V179-L182 PolarHBondContact O-N 2.8Å; L182-K186 PolarHBondContact O-N 2.97Å
183G83.6Confident83.8Confident37 Ų37111.8 Ų111.838%0.38160%0.601SS.*Hα-helixtrans-70.6-36.2176.700000113.2V179 N180 L181 K187V179-G183 PolarHBondContact O-N 3.04Å; N180-G183 PolarHBondContact O-N 3.17Å; L181-G183 VanDerWaalsContact C-N 3.3Å; L181-G183 PolarHBondContact O-N 3.1Å; G183-K187 PolarHBondContact O-N 3.29Å
184E80.9Confident83.1Confident135 Ų135112.1 Ų112.163%0.63161%0.607SS**Hα-helixtrans-69.9-41.1174.4-72-172.5140.700111.7N180 L181 K186 K187 S188N180-E184 WeakPolarHBondContact O-CG 3.41Å; N180-E184 PolarHBondContact O-N 3.35Å; L181-E184 PolarHBondContact O-N 2.88Å; E184-K186 VanDerWaalsContact C-N 3.3Å; E184-K186 PolarHBondContact O-N 3.13Å; E184-K187 PolarHBondContact O-N 3.14Å; E184-K187 VanDerWaalsContact O-N 3.14Å; E184-S188 PolarHBondContact O-N 3.28Å
185E75Confident82.4Confident133 Ų133116.2 Ų116.262%0.62162%0.619SS**Hα-helixtrans-59.4-41.7177.1-140.8-173.6-174.900111.9L181 K187 S188 T189L181-E185 PolarHBondContact O-N 2.94Å; E185-K187 VanDerWaalsContact C-N 3.31Å; E185-K187 PolarHBondContact O-N 3.37Å; E185-S188 PolarHBondContact O-N 2.68Å; E185-T189 PolarHBondContact O-OG1 2.86Å
186K71.8Confident81.6Confident176 Ų176114.2 Ų114.277%0.76562%0.619SS**Hα-helixtrans-71.8-19.8179.2-158.2-179.1-178.9-176.40114L182 E184L182-K186 PolarHBondContact O-N 2.97Å; E184-K186 VanDerWaalsContact C-N 3.3Å; E184-K186 PolarHBondContact O-N 3.13Å
187K70.3Confident80.6Confident188 Ų188115.8 Ų115.882%0.81764%0.635SS**Hα-helixtrans-87.1-21.2174.3-78.3-174.7179.4-179.80113G183 E184 E185G183-K187 PolarHBondContact O-N 3.29Å; E184-K187 PolarHBondContact O-N 3.14Å; E184-K187 VanDerWaalsContact O-N 3.14Å; E185-K187 VanDerWaalsContact C-N 3.31Å; E185-K187 PolarHBondContact O-N 3.37Å
188S65.6Low79.6Confident109 Ų109121.3 Ų121.376%0.76265%0.654SS**Hα-helixtrans-90-6.3-179.4-168.60000114E184 E185E184-S188 PolarHBondContact O-N 3.28Å; E185-S188 PolarHBondContact O-N 2.68Å
189T59.7Low78.4Confident174 Ų174125.2 Ų125.2100%1.06767%0.669SS**  trans-108.20177.4-46.90000110E185E185-T189 PolarHBondContact O-OG1 2.86Å

Retrieved 189 of 189 residues in 341.7 ms (Link to these results)