A0A087YE25_POEFO Loading...

NGFI-A binding protein 2 (EGR1 binding protein 2)

AlphaFold DB , UniProt , Accession A0A087YE25, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 407 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
1M63.3Low84.8Confident172 Ų17287.9 Ų87.985%0.84745%0.445SS*.  0840-57-47.4172.100108.3E26M1-E26 VanDerWaalsContact C-OE1 3.29Å; M1-E26 WeakPolarHBondContact CA-OE1 3.46Å; M1-E26 PolarHBondContact N-OE1 2.9Å
2S72.4Confident85.6Confident39 Ų3980.6 Ų80.627%0.27341%0.408SS..PPolyproline II helixtrans-56.6153.8163.753.80000110.8Y25 E26S2-Y25 WeakPolarHBondContact OG-CE1 3.48Å; S2-E26 WeakPolarHBondContact CB-OE2 3.49Å; S2-E26 PolarHBondContact N-OE1 3.22Å; S2-E26 PolarHBondContact OG-OE2 3.14Å
3L79.4Confident86.3Confident145 Ų14579.2 Ų79.276%0.75940%0.395SS*.PPolyproline II helixtrans-95.7140.5167.8-69.2109.1000108.9R5L3-R5 WeakPolarHBondContact O-CG 3.43Å; L3-R5 PolarHBondContact O-N 2.98Å
4P85.7Confident86.8Confident41 Ų4177.8 Ų77.827%0.26638%0.383SS..PPolyproline II helixtrans-61.4131.4-179.623.5-33.5000112.3E9 L10 Y13 Y25P4-E9 WeakPolarHBondContact CA-OE2 3.15Å; P4-E9 HydrophobicContact CB-CB 3.82Å; P4-L10 HydrophobicContact CB-CB 4.01Å; P4-L10 HydrophobicContact CB-CD1 4.39Å; P4-L10 HydrophobicContact CG-CB 4.36Å; P4-L10 HydrophobicContact CG-CD1 3.8Å; P4-Y13 HydrophobicContact CG-CG 4.45Å; P4-Y25 VanDerWaalsContact CA-OH 3.23Å; P4-Y25 WeakPolarHBondContact CA-OH 3.38Å; P4-Y25 WeakPolarHBondContact CB-OH 3.49Å
5R86.3Confident87.4Confident217 Ų21772.6 Ų72.682%0.81936%0.358SS*.  trans-105.8-39.6-176.1-51.1176.6176.4-177.7-1.6112.4L3 E9L3-R5 WeakPolarHBondContact O-CG 3.43Å; L3-R5 PolarHBondContact O-N 2.98Å; R5-E9 WeakPolarHBondContact CB-OE1 3.4Å; R5-E9 PolarHBondContact N-OE2 3.08Å
6T90.4Very high87.9Confident62 Ų6268.1 Ų68.138%0.3834%0.335SS..SBendtrans-94.5169.2174.775.60000112.2G8 E9 L10 D34T6-G8 PolarHBondContact OG1-N 2.86Å; T6-E9 PolarHBondContact N-OE1 3.22Å; T6-E9 WeakPolarHBondContact OG1-CB 3.42Å; T6-E9 WeakPolarHBondContact OG1-CG 3.4Å; T6-E9 PolarHBondContact OG1-N 2.81Å; T6-L10 PolarHBondContact O-N 3.02Å; T6-L10 VanDerWaalsContact O-N 3.14Å; T6-D34 PolarHBondContact OG1-OD2 2.81Å
7L87.2Confident88.3Confident122 Ų12267.1 Ų67.164%0.63933%0.33SS*.Hα-helixtrans-67.2-37.6170.9-179.360.2000111.7L10 Q11L7-L10 PolarHBondContact O-N 2.87Å; L7-Q11 VanDerWaalsContact O-CG 3.3Å; L7-Q11 WeakPolarHBondContact O-CG 3.34Å; L7-Q11 PolarHBondContact O-N 3.05Å
8G90.5Very high88.5Confident15 Ų1569.9 Ų69.916%0.15534%0.336CS..Hα-helixtrans-62.2-53.1174.600000111.4T6 L10 Q11 L12 D34T6-G8 PolarHBondContact OG1-N 2.86Å; G8-L10 PolarHBondContact O-N 3.04Å; G8-L10 VanDerWaalsContact O-N 3.15Å; G8-Q11 PolarHBondContact O-N 3.25Å; G8-L12 WeakPolarHBondContact O-CB 3.24Å; G8-L12 PolarHBondContact O-N 2.98Å; G8-D34 CarbonylContact C-O 3.03Å; G8-D34 WeakPolarHBondContact CA-O 3.44Å
9E93.7Very high88.8Confident21 Ų2166.8 Ų66.810%0.09832%0.323CS..Hα-helixtrans-49-43.7173-79.5-178.7-125.300112.2P4 R5 T6 Y13 Y25 I29 D34P4-E9 WeakPolarHBondContact CA-OE2 3.15Å; P4-E9 HydrophobicContact CB-CB 3.82Å; R5-E9 WeakPolarHBondContact CB-OE1 3.4Å; R5-E9 PolarHBondContact N-OE2 3.08Å; T6-E9 PolarHBondContact N-OE1 3.22Å; T6-E9 WeakPolarHBondContact OG1-CB 3.42Å; T6-E9 WeakPolarHBondContact OG1-CG 3.4Å; T6-E9 PolarHBondContact OG1-N 2.81Å; E9-Y13 WeakPolarHBondContact O-CB 3.48Å; E9-Y13 PolarHBondContact O-N 3.05Å; E9-Y25 PolarHBondContact OE2-OH 2.98Å; E9-I29 HydrophobicContact CB-CD1 4.38Å; E9-I29 HydrophobicContact CG-CD1 3.71Å; E9-I29 HydrophobicContact CG-CG1 4.25Å; E9-I29 HydrophobicContact CG-CG2 4.38Å; E9-D34 HydrophobicContact CG-CB 4.08Å; E9-D34 PolarHBondContact N-OD2 3.38Å
10L91.3Very high89.2Confident72 Ų7269.9 Ų69.938%0.37734%0.342SS..Hα-helixtrans-69.8-41.5178.5-179.961.3000112.6P4 T6 L7 G8 Y13 R14P4-L10 HydrophobicContact CB-CB 4.01Å; P4-L10 HydrophobicContact CB-CD1 4.39Å; P4-L10 HydrophobicContact CG-CB 4.36Å; P4-L10 HydrophobicContact CG-CD1 3.8Å; T6-L10 PolarHBondContact O-N 3.02Å; T6-L10 VanDerWaalsContact O-N 3.14Å; L7-L10 PolarHBondContact O-N 2.87Å; G8-L10 PolarHBondContact O-N 3.04Å; G8-L10 VanDerWaalsContact O-N 3.15Å; L10-Y13 PolarHBondContact O-N 3.08Å; L10-R14 VanDerWaalsContact O-CG 3.26Å; L10-R14 WeakPolarHBondContact O-CG 3.36Å; L10-R14 PolarHBondContact O-N 2.98Å
11Q92.4Very high89.6Confident61 Ų6166.7 Ų66.729%0.28533%0.326SS..Hα-helixtrans-62.9-47.6175.5-71.6174.411.900110.7L7 G8 Y13 R14 V15 V36L7-Q11 VanDerWaalsContact O-CG 3.3Å; L7-Q11 WeakPolarHBondContact O-CG 3.34Å; L7-Q11 PolarHBondContact O-N 3.05Å; G8-Q11 PolarHBondContact O-N 3.25Å; Q11-Y13 PolarHBondContact O-N 2.9Å; Q11-R14 WeakPolarHBondContact O-CB 3.41Å; Q11-R14 PolarHBondContact O-N 2.77Å; Q11-R14 VanDerWaalsContact O-N 3.16Å; Q11-V15 WeakPolarHBondContact O-CG2 3.33Å; Q11-V15 PolarHBondContact O-N 3.36Å; Q11-V36 HydrophobicContact CB-CB 4.47Å; Q11-V36 HydrophobicContact CB-CG2 3.74Å
12L95.1Very high91.1Very high0 Ų060.6 Ų60.60%030%0.296CS..Hα-helixtrans-60.4-47176.5-176.981.6000111G8 R14 V15 L16 Y25 F28 I29 G33 V36 L39G8-L12 WeakPolarHBondContact O-CB 3.24Å; G8-L12 PolarHBondContact O-N 2.98Å; L12-R14 PolarHBondContact O-N 3.27Å; L12-V15 PolarHBondContact O-N 3.08Å; L12-V15 VanDerWaalsContact O-N 3.1Å; L12-L16 HydrophobicContact CD1-CD1 4.35Å; L12-L16 HydrophobicContact CD1-CG 4.48Å; L12-L16 HydrophobicContact CD2-CD1 4.08Å; L12-L16 HydrophobicContact CG-CD1 3.89Å; L12-L16 HydrophobicContact CG-CG 4.29Å; L12-L16 WeakPolarHBondContact O-CB 3.36Å; L12-L16 WeakPolarHBondContact O-CG 3.37Å; L12-L16 PolarHBondContact O-N 3.26Å; L12-Y25 HydrophobicContact CD2-CD2 4.07Å; L12-Y25 HydrophobicContact CD2-CE2 4.27Å; L12-F28 HydrophobicContact CD1-CD1 4.5Å; L12-F28 HydrophobicContact CD2-CB 3.57Å; L12-F28 HydrophobicContact CD2-CG 4.19Å; L12-I29 HydrophobicContact CD2-CD1 3.52Å; L12-I29 HydrophobicContact CD2-CG1 4.44Å; L12-G33 WeakPolarHBondContact CD2-O 3.5Å; L12-V36 HydrophobicContact CB-CG2 3.85Å; L12-V36 HydrophobicContact CD1-CG2 4.3Å; L12-V36 VanDerWaalsContact N-CG2 3.33Å; L12-L39 HydrophobicContact CD1-CD1 3.65Å
13Y94.7Very high92.2Very high62 Ų6262.5 Ų62.524%0.24332%0.315CS..Hα-helixtrans-54.6-42.6175.9-177.1-86.1000111P4 E9 L10 Q11 Q17 L22 Y25P4-Y13 HydrophobicContact CG-CG 4.45Å; E9-Y13 WeakPolarHBondContact O-CB 3.48Å; E9-Y13 PolarHBondContact O-N 3.05Å; L10-Y13 PolarHBondContact O-N 3.08Å; Q11-Y13 PolarHBondContact O-N 2.9Å; Y13-Q17 WeakPolarHBondContact O-CB 3.31Å; Y13-Q17 PolarHBondContact O-N 3.21Å; Y13-L22 HydrophobicContact CD1-CD2 4.45Å; Y13-L22 HydrophobicContact CD2-CD2 3.73Å; Y13-L22 HydrophobicContact CE1-CD2 4.32Å; Y13-L22 HydrophobicContact CE2-CD1 4.48Å; Y13-L22 HydrophobicContact CE2-CD2 3.59Å; Y13-L22 HydrophobicContact CG-CD2 4.16Å; Y13-Y25 AromaticContact CD2-CD1 3.88Å; Y13-Y25 HydrophobicContact CD2-CD1 3.88Å; Y13-Y25 HydrophobicContact CD2-CD2 4.1Å; Y13-Y25 AromaticContact CD2-CE1 3.83Å; Y13-Y25 HydrophobicContact CD2-CE1 3.83Å; Y13-Y25 HydrophobicContact CD2-CE2 4.08Å; Y13-Y25 HydrophobicContact CD2-CG 4.02Å; Y13-Y25 AromaticContact CD2-CZ 3.96Å; Y13-Y25 HydrophobicContact CE2-CD1 4.38Å; Y13-Y25 HydrophobicContact CE2-CE1 4.49Å; Y13-Y25 HydrophobicContact CG-CE2 4.47Å
14R93.3Very high93Very high60 Ų6056.7 Ų56.723%0.22628%0.283CS..Hα-helixtrans-68.6-38.1176.6-69.2-70.4-170.1-141.9-1.7113.1L10 Q11 L12 R18 F80L10-R14 VanDerWaalsContact O-CG 3.26Å; L10-R14 WeakPolarHBondContact O-CG 3.36Å; L10-R14 PolarHBondContact O-N 2.98Å; Q11-R14 WeakPolarHBondContact O-CB 3.41Å; Q11-R14 PolarHBondContact O-N 2.77Å; Q11-R14 VanDerWaalsContact O-N 3.16Å; L12-R14 PolarHBondContact O-N 3.27Å; R14-R18 WeakPolarHBondContact O-CB 3.33Å; R14-R18 PolarHBondContact O-N 2.73Å; R14-F80 HydrophobicContact CB-CB 4.18Å; R14-F80 HydrophobicContact CB-CD1 4.29Å; R14-F80 WeakPolarHBondContact CG-O 2.87Å
15V95.3Very high93.5Very high0 Ų054.9 Ų54.90%027%0.271CS..Hα-helixtrans-63.6-50174.2170.60000110.8Q11 L12 Q17 R18 A19 V36 L66 A69 L70 W73 F80Q11-V15 WeakPolarHBondContact O-CG2 3.33Å; Q11-V15 PolarHBondContact O-N 3.36Å; L12-V15 PolarHBondContact O-N 3.08Å; L12-V15 VanDerWaalsContact O-N 3.1Å; V15-Q17 PolarHBondContact O-N 3.46Å; V15-R18 PolarHBondContact O-N 2.84Å; V15-A19 WeakPolarHBondContact O-CB 3.44Å; V15-A19 PolarHBondContact O-N 2.61Å; V15-V36 HydrophobicContact CG2-CG1 3.94Å; V15-L66 HydrophobicContact CG1-CD1 3.9Å; V15-A69 HydrophobicContact CG1-CB 3.84Å; V15-L70 HydrophobicContact CG1-CD2 4.08Å; V15-L70 HydrophobicContact CG1-CG 4.41Å; V15-W73 HydrophobicContact CG2-CB 4.02Å; V15-W73 HydrophobicContact CG2-CG 3.92Å; V15-F80 HydrophobicContact CB-CE1 4.5Å; V15-F80 HydrophobicContact CG2-CD1 3.96Å; V15-F80 HydrophobicContact CG2-CE1 3.94Å
16L95.6Very high93.9Very high0 Ų047.9 Ų47.90%025%0.248CC..Hα-helixtrans-66.1-36.1177.6-66.6175.5000112.1L12 A19 N20 L21 L22 Y25 F28 L66L12-L16 HydrophobicContact CD1-CD1 4.35Å; L12-L16 HydrophobicContact CD1-CG 4.48Å; L12-L16 HydrophobicContact CD2-CD1 4.08Å; L12-L16 HydrophobicContact CG-CD1 3.89Å; L12-L16 HydrophobicContact CG-CG 4.29Å; L12-L16 WeakPolarHBondContact O-CB 3.36Å; L12-L16 WeakPolarHBondContact O-CG 3.37Å; L12-L16 PolarHBondContact O-N 3.26Å; L16-A19 PolarHBondContact O-N 2.91Å; L16-N20 PolarHBondContact O-N 3.48Å; L16-L21 HydrophobicContact CB-CB 4.45Å; L16-L21 HydrophobicContact CD2-CB 3.75Å; L16-L21 HydrophobicContact CD2-CD1 4.45Å; L16-L21 PolarHBondContact O-N 3.47Å; L16-L22 HydrophobicContact CB-CD2 4.12Å; L16-Y25 HydrophobicContact CD1-CD2 4.19Å; L16-F28 HydrophobicContact CD1-CD2 3.97Å; L16-F28 HydrophobicContact CD1-CE2 4.5Å; L16-F28 HydrophobicContact CD2-CD2 4.39Å; L16-F28 HydrophobicContact CD2-CE2 4.11Å; L16-L66 HydrophobicContact CD2-CD1 4.07Å
17Q94.1Very high94.1Very high51 Ų5147.7 Ų47.724%0.23825%0.246CC..Hα-helixtrans-59.6-48.8171.5-174172.632.300111.1Y13 V15 A19 N20 L22Y13-Q17 WeakPolarHBondContact O-CB 3.31Å; Y13-Q17 PolarHBondContact O-N 3.21Å; V15-Q17 PolarHBondContact O-N 3.46Å; Q17-A19 VanDerWaalsContact C-N 3.33Å; Q17-A19 PolarHBondContact O-N 3Å; Q17-N20 PolarHBondContact O-N 2.88Å; Q17-N20 VanDerWaalsContact O-N 3.14Å; Q17-L22 HydrophobicContact CB-CD1 4.09Å; Q17-L22 HydrophobicContact CB-CD2 4.09Å; Q17-L22 HydrophobicContact CB-CG 4.19Å; Q17-L22 HydrophobicContact CG-CD1 4.13Å
18R91.9Very high94.5Very high119 Ų11942 Ų4245%0.44922%0.216SC..Hα-helixtrans-69.7-29-179.8-150.7-176.7-158.1107.8-6.7113R14 V15 N20 L79 F80R14-R18 WeakPolarHBondContact O-CB 3.33Å; R14-R18 PolarHBondContact O-N 2.73Å; V15-R18 PolarHBondContact O-N 2.84Å; R18-N20 VanDerWaalsContact C-N 3.31Å; R18-L79 PolarHBondContact NH1-O 3.42Å; R18-F80 HydrophobicContact CB-CD1 4.5Å; R18-F80 HydrophobicContact CB-CE1 3.9Å; R18-F80 VanDerWaalsContact CD-CZ 3.42Å; R18-F80 HydrophobicContact CG-CE1 4.27Å
19A95.4Very high94.8Very high11 Ų1143.3 Ų43.39%0.09122%0.219CC..Hα-helixtrans-77.3-13172.900000113.9V15 L16 Q17 L21 R65 A69V15-A19 WeakPolarHBondContact O-CB 3.44Å; V15-A19 PolarHBondContact O-N 2.61Å; L16-A19 PolarHBondContact O-N 2.91Å; Q17-A19 VanDerWaalsContact C-N 3.33Å; Q17-A19 PolarHBondContact O-N 3Å; A19-L21 HydrophobicContact CB-CB 4.16Å; A19-L21 HydrophobicContact CB-CD1 3.68Å; A19-L21 HydrophobicContact CB-CG 3.8Å; A19-R65 PolarHBondContact O-NH1 2.87Å; A19-A69 HydrophobicContact CB-CB 3.82Å
20N95.9Very high94.8Very high128 Ų12849.8 Ų49.868%0.68425%0.25SC*.THydrogen-bonded Turntrans55.650.9-164.8-17129.2000112.8L16 Q17 R18 R65L16-N20 PolarHBondContact O-N 3.48Å; Q17-N20 PolarHBondContact O-N 2.88Å; Q17-N20 VanDerWaalsContact O-N 3.14Å; R18-N20 VanDerWaalsContact C-N 3.31Å; N20-R65 PolarHBondContact O-NH1 3.42Å
21L96.9Very high94.9Very high3 Ų351.3 Ų51.32%0.01626%0.255CS..  trans-126.418-177.5-67.2176.9000113L16 A19 A23 Y24 M56 H62 R65 L66L16-L21 HydrophobicContact CB-CB 4.45Å; L16-L21 HydrophobicContact CD2-CB 3.75Å; L16-L21 HydrophobicContact CD2-CD1 4.45Å; L16-L21 PolarHBondContact O-N 3.47Å; A19-L21 HydrophobicContact CB-CB 4.16Å; A19-L21 HydrophobicContact CB-CD1 3.68Å; A19-L21 HydrophobicContact CB-CG 3.8Å; L21-A23 PolarHBondContact O-N 2.75Å; L21-Y24 HydrophobicContact CB-CD2 4.34Å; L21-Y24 HydrophobicContact CD2-CD2 4.27Å; L21-Y24 HydrophobicContact CD2-CE2 4.3Å; L21-Y24 WeakPolarHBondContact O-CB 3.11Å; L21-Y24 PolarHBondContact O-N 3.48Å; L21-M56 HydrophobicContact CD1-CE 4.49Å; L21-M56 HydrophobicContact CD1-SD 4.21Å; L21-M56 HydrophobicContact CD2-SD 4.36Å; L21-H62 HydrophobicContact CD2-CB 3.85Å; L21-R65 HydrophobicContact CD1-CB 4.17Å; L21-L66 HydrophobicContact CD1-CB 3.83Å
22L95.4Very high95Very high43 Ų4350.8 Ų50.823%0.22527%0.266CS..G310 helixtrans-56-21.4-178.5-74.6175.2000115Y13 L16 Q17 Y24 Y25Y13-L22 HydrophobicContact CD1-CD2 4.45Å; Y13-L22 HydrophobicContact CD2-CD2 3.73Å; Y13-L22 HydrophobicContact CE1-CD2 4.32Å; Y13-L22 HydrophobicContact CE2-CD1 4.48Å; Y13-L22 HydrophobicContact CE2-CD2 3.59Å; Y13-L22 HydrophobicContact CG-CD2 4.16Å; L16-L22 HydrophobicContact CB-CD2 4.12Å; Q17-L22 HydrophobicContact CB-CD1 4.09Å; Q17-L22 HydrophobicContact CB-CD2 4.09Å; Q17-L22 HydrophobicContact CB-CG 4.19Å; Q17-L22 HydrophobicContact CG-CD1 4.13Å; L22-Y24 PolarHBondContact O-N 2.7Å; L22-Y24 VanDerWaalsContact O-N 3.13Å; L22-Y25 VanDerWaalsContact O-CB 3.28Å; L22-Y25 WeakPolarHBondContact O-CB 3.45Å; L22-Y25 PolarHBondContact O-N 2.65Å
23A95.3Very high94.9Very high80 Ų8051.5 Ų51.566%0.66127%0.273SS*.G310 helixtrans-58.9-19.9171.900000113.9L21L21-A23 PolarHBondContact O-N 2.75Å
24Y96.3Very high94.8Very high23 Ų2350.9 Ų50.99%0.0927%0.274CS..G310 helixtrans-97-4.3177.3-65.9-82.3000113.8L21 L22 E26 T27 F28 V54 M56 K59 H62L21-Y24 HydrophobicContact CB-CD2 4.34Å; L21-Y24 HydrophobicContact CD2-CD2 4.27Å; L21-Y24 HydrophobicContact CD2-CE2 4.3Å; L21-Y24 WeakPolarHBondContact O-CB 3.11Å; L21-Y24 PolarHBondContact O-N 3.48Å; L22-Y24 PolarHBondContact O-N 2.7Å; L22-Y24 VanDerWaalsContact O-N 3.13Å; Y24-E26 PolarHBondContact O-N 3.48Å; Y24-T27 WeakPolarHBondContact CA-OG1 3.36Å; Y24-T27 PolarHBondContact O-N 3.18Å; Y24-T27 VanDerWaalsContact O-N 3.14Å; Y24-T27 PolarHBondContact O-OG1 3.2Å; Y24-F28 WeakPolarHBondContact O-CD2 3.22Å; Y24-F28 PolarHBondContact O-N 3.25Å; Y24-V54 WeakPolarHBondContact CD1-O 3.13Å; Y24-M56 HydrophobicContact CD1-CG 3.53Å; Y24-M56 HydrophobicContact CD1-SD 4.14Å; Y24-M56 HydrophobicContact CD2-CG 4.19Å; Y24-M56 HydrophobicContact CD2-SD 3.79Å; Y24-M56 HydrophobicContact CE1-CG 3.33Å; Y24-M56 HydrophobicContact CE1-SD 4.23Å; Y24-M56 HydrophobicContact CE2-CG 4.04Å; Y24-M56 HydrophobicContact CE2-SD 3.92Å; Y24-M56 HydrophobicContact CG-CG 3.94Å; Y24-M56 HydrophobicContact CG-SD 3.9Å; Y24-K59 WeakPolarHBondContact OH-CD 3.34Å; Y24-K59 PolarHBondContact OH-NZ 3.29Å; Y24-H62 AromaticContact CE2-CE1 3.92Å; Y24-H62 AromaticContact CE2-ND1 3.31Å; Y24-H62 VanDerWaalsContact CE2-ND1 3.31Å; Y24-H62 WeakPolarHBondContact CE2-ND1 3.27Å; Y24-H62 AromaticContact CZ-ND1 3.61Å; Y24-H62 PolarHBondContact OH-ND1 3.31Å
25Y95.9Very high94.8Very high2 Ų251.8 Ų51.81%0.00828%0.284CS..Hα-helixtrans-58.4-50.7-174.6174.3-116.6000111.5S2 P4 E9 L12 Y13 L16 L22 T27 F28 I29S2-Y25 WeakPolarHBondContact OG-CE1 3.48Å; P4-Y25 VanDerWaalsContact CA-OH 3.23Å; P4-Y25 WeakPolarHBondContact CA-OH 3.38Å; P4-Y25 WeakPolarHBondContact CB-OH 3.49Å; E9-Y25 PolarHBondContact OE2-OH 2.98Å; L12-Y25 HydrophobicContact CD2-CD2 4.07Å; L12-Y25 HydrophobicContact CD2-CE2 4.27Å; Y13-Y25 AromaticContact CD2-CD1 3.88Å; Y13-Y25 HydrophobicContact CD2-CD1 3.88Å; Y13-Y25 HydrophobicContact CD2-CD2 4.1Å; Y13-Y25 AromaticContact CD2-CE1 3.83Å; Y13-Y25 HydrophobicContact CD2-CE1 3.83Å; Y13-Y25 HydrophobicContact CD2-CE2 4.08Å; Y13-Y25 HydrophobicContact CD2-CG 4.02Å; Y13-Y25 AromaticContact CD2-CZ 3.96Å; Y13-Y25 HydrophobicContact CE2-CD1 4.38Å; Y13-Y25 HydrophobicContact CE2-CE1 4.49Å; Y13-Y25 HydrophobicContact CG-CE2 4.47Å; L16-Y25 HydrophobicContact CD1-CD2 4.19Å; L22-Y25 VanDerWaalsContact O-CB 3.28Å; L22-Y25 WeakPolarHBondContact O-CB 3.45Å; L22-Y25 PolarHBondContact O-N 2.65Å; Y25-T27 VanDerWaalsContact C-N 3.27Å; Y25-T27 PolarHBondContact O-N 2.53Å; Y25-F28 PolarHBondContact O-N 3.34Å; Y25-I29 HydrophobicContact CD2-CD1 4.36Å; Y25-I29 HydrophobicContact CD2-CG1 4.01Å; Y25-I29 HydrophobicContact CE1-CG1 4.44Å; Y25-I29 HydrophobicContact CE2-CD1 3.78Å; Y25-I29 HydrophobicContact CE2-CG1 3.55Å; Y25-I29 WeakPolarHBondContact O-CG1 3.45Å; Y25-I29 PolarHBondContact O-N 2.85Å
26E94.6Very high94.7Very high71 Ų7151.8 Ų51.833%0.33228%0.284SS..Hα-helixtrans-56.3-40176.6-50.3-76.5-160.200112M1 S2 Y24 I29 Q30M1-E26 VanDerWaalsContact C-OE1 3.29Å; M1-E26 WeakPolarHBondContact CA-OE1 3.46Å; M1-E26 PolarHBondContact N-OE1 2.9Å; S2-E26 WeakPolarHBondContact CB-OE2 3.49Å; S2-E26 PolarHBondContact N-OE1 3.22Å; S2-E26 PolarHBondContact OG-OE2 3.14Å; Y24-E26 PolarHBondContact O-N 3.48Å; E26-I29 PolarHBondContact O-N 3.13Å; E26-Q30 WeakPolarHBondContact O-CB 3.15Å; E26-Q30 PolarHBondContact O-N 2.68Å
27T95.9Very high94.5Very high58 Ų5856.7 Ų56.736%0.35631%0.306SS..Hα-helixtrans-76.1-25.5-178.451.40000113.7Y24 Y25 Q31Y24-T27 WeakPolarHBondContact CA-OG1 3.36Å; Y24-T27 PolarHBondContact O-N 3.18Å; Y24-T27 VanDerWaalsContact O-N 3.14Å; Y24-T27 PolarHBondContact O-OG1 3.2Å; Y25-T27 VanDerWaalsContact C-N 3.27Å; Y25-T27 PolarHBondContact O-N 2.53Å; T27-Q31 WeakPolarHBondContact O-CG 3.36Å
28F96Very high94.5Very high1 Ų160.4 Ų60.40%0.00432%0.324CS..Hα-helixtrans-72.7-47.3168.4-86.8-83000110.6L12 L16 Y24 Y25 Q30 Q31 G32 G33 L39 I50 M51 V54 M56 L66L12-F28 HydrophobicContact CD1-CD1 4.5Å; L12-F28 HydrophobicContact CD2-CB 3.57Å; L12-F28 HydrophobicContact CD2-CG 4.19Å; L16-F28 HydrophobicContact CD1-CD2 3.97Å; L16-F28 HydrophobicContact CD1-CE2 4.5Å; L16-F28 HydrophobicContact CD2-CD2 4.39Å; L16-F28 HydrophobicContact CD2-CE2 4.11Å; Y24-F28 WeakPolarHBondContact O-CD2 3.22Å; Y24-F28 PolarHBondContact O-N 3.25Å; Y25-F28 PolarHBondContact O-N 3.34Å; F28-Q30 PolarHBondContact O-N 3.31Å; F28-Q31 CarbonylContact O-C 3.44Å; F28-Q31 PolarHBondContact O-N 3.04Å; F28-G32 PolarHBondContact O-N 3.29Å; F28-G33 PolarHBondContact O-N 2.9Å; F28-L39 HydrophobicContact CD1-CD1 4.24Å; F28-L39 HydrophobicContact CE1-CD1 4.08Å; F28-L39 HydrophobicContact CE1-CD2 4.13Å; F28-I50 HydrophobicContact CE1-CG2 4.12Å; F28-M51 HydrophobicContact CE1-CE 4.37Å; F28-M51 HydrophobicContact CZ-CE 4.06Å; F28-V54 HydrophobicContact CD1-CG1 3.97Å; F28-V54 HydrophobicContact CD2-CG1 4.4Å; F28-V54 HydrophobicContact CE1-CG1 4.05Å; F28-V54 HydrophobicContact CE1-CG2 4.3Å; F28-V54 HydrophobicContact CE2-CB 4.38Å; F28-V54 HydrophobicContact CE2-CG1 4.47Å; F28-V54 HydrophobicContact CE2-CG2 3.93Å; F28-V54 HydrophobicContact CG-CG1 4.15Å; F28-V54 HydrophobicContact CZ-CB 4.45Å; F28-V54 HydrophobicContact CZ-CG1 4.29Å; F28-V54 HydrophobicContact CZ-CG2 3.77Å; F28-M56 HydrophobicContact CE2-CE 4.29Å; F28-M56 HydrophobicContact CZ-CE 4.23Å; F28-L66 HydrophobicContact CE2-CD2 4.38Å; F28-L66 HydrophobicContact CZ-CD2 3.68Å
29I95.2Very high94.6Very high43 Ų4355.1 Ų55.122%0.22130%0.304CS..Hα-helixtrans-64.9-39.8-178.6-57.9-43000111.6E9 L12 Y25 E26 Q31 G32 D34E9-I29 HydrophobicContact CB-CD1 4.38Å; E9-I29 HydrophobicContact CG-CD1 3.71Å; E9-I29 HydrophobicContact CG-CG1 4.25Å; E9-I29 HydrophobicContact CG-CG2 4.38Å; L12-I29 HydrophobicContact CD2-CD1 3.52Å; L12-I29 HydrophobicContact CD2-CG1 4.44Å; Y25-I29 HydrophobicContact CD2-CD1 4.36Å; Y25-I29 HydrophobicContact CD2-CG1 4.01Å; Y25-I29 HydrophobicContact CE1-CG1 4.44Å; Y25-I29 HydrophobicContact CE2-CD1 3.78Å; Y25-I29 HydrophobicContact CE2-CG1 3.55Å; Y25-I29 WeakPolarHBondContact O-CG1 3.45Å; Y25-I29 PolarHBondContact O-N 2.85Å; E26-I29 PolarHBondContact O-N 3.13Å; I29-Q31 PolarHBondContact O-N 2.78Å; I29-Q31 VanDerWaalsContact O-N 3.12Å; I29-G32 PolarHBondContact O-N 3.24Å; I29-G32 VanDerWaalsContact O-N 3.16Å; I29-D34 HydrophobicContact CD1-CB 3.7Å
30Q94.9Very high94.6Very high157 Ų15756.8 Ų56.873%0.73432%0.315SS*.THydrogen-bonded Turntrans-60.9-20.2175-176.156.886.800113.5E26 F28E26-Q30 WeakPolarHBondContact O-CB 3.15Å; E26-Q30 PolarHBondContact O-N 2.68Å; F28-Q30 PolarHBondContact O-N 3.31Å
31Q93.7Very high94.5Very high104 Ų10457.3 Ų57.349%0.48631%0.313SS..THydrogen-bonded Turntrans-108.911.1-178-60-74.224.500112.7T27 F28 I29 G33 L53T27-Q31 WeakPolarHBondContact O-CG 3.36Å; F28-Q31 CarbonylContact O-C 3.44Å; F28-Q31 PolarHBondContact O-N 3.04Å; I29-Q31 PolarHBondContact O-N 2.78Å; I29-Q31 VanDerWaalsContact O-N 3.12Å; Q31-G33 PolarHBondContact O-N 3.17Å; Q31-L53 HydrophobicContact CB-CD2 3.69Å; Q31-L53 VanDerWaalsContact CD-CD2 3.46Å; Q31-L53 HydrophobicContact CG-CD2 3.5Å; Q31-L53 HydrophobicContact CG-CG 4.5Å
32G92.9Very high94.4Very high50 Ų5058.3 Ų58.352%0.51532%0.322SS..THydrogen-bonded Turntrans7114-179.100000115F28 I29 D34F28-G32 PolarHBondContact O-N 3.29Å; I29-G32 PolarHBondContact O-N 3.24Å; I29-G32 VanDerWaalsContact O-N 3.16Å; G32-D34 PolarHBondContact O-N 3.33Å
33G92.9Very high94.3Very high15 Ų1558.6 Ų58.616%0.15533%0.331CS..THydrogen-bonded Turntrans-82.242.1-17900000114L12 F28 Q31L12-G33 WeakPolarHBondContact CD2-O 3.5Å; F28-G33 PolarHBondContact O-N 2.9Å; Q31-G33 PolarHBondContact O-N 3.17Å
34D92.9Very high94.2Very high50 Ų5061.7 Ų61.727%0.26733%0.332SS..THydrogen-bonded Turntrans-90.9-12.3-179.683-61.1000114.3T6 G8 E9 I29 G32 V36T6-D34 PolarHBondContact OG1-OD2 2.81Å; G8-D34 CarbonylContact C-O 3.03Å; G8-D34 WeakPolarHBondContact CA-O 3.44Å; E9-D34 HydrophobicContact CG-CB 4.08Å; E9-D34 PolarHBondContact N-OD2 3.38Å; I29-D34 HydrophobicContact CD1-CB 3.7Å; G32-D34 PolarHBondContact O-N 3.33Å; D34-V36 PolarHBondContact O-N 3.24Å
35D93.4Very high94.1Very high79 Ų7968.6 Ų68.642%0.42236%0.364SS..  trans-79.2107.8169.7-163.7-47.4000111.7Q37 Q38 L39D35-Q37 WeakPolarHBondContact OD1-CA 3.4Å; D35-Q37 WeakPolarHBondContact OD1-CB 3.28Å; D35-Q37 PolarHBondContact OD1-N 3.04Å; D35-Q38 HydrophobicContact CB-CB 3.99Å; D35-Q38 PolarHBondContact OD1-N 3.34Å; D35-L39 WeakPolarHBondContact O-CG 3.47Å; D35-L39 PolarHBondContact O-N 2.76Å
36V93Very high94.1Very high0 Ų073.6 Ų73.60%039%0.388CS..THydrogen-bonded Turntrans-74.6-26.8179-176.50000112.2Q11 L12 V15 D34 C40 L70 W73Q11-V36 HydrophobicContact CB-CB 4.47Å; Q11-V36 HydrophobicContact CB-CG2 3.74Å; L12-V36 HydrophobicContact CB-CG2 3.85Å; L12-V36 HydrophobicContact CD1-CG2 4.3Å; L12-V36 VanDerWaalsContact N-CG2 3.33Å; V15-V36 HydrophobicContact CG2-CG1 3.94Å; D34-V36 PolarHBondContact O-N 3.24Å; V36-C40 PolarHBondContact O-N 3.49Å; V36-C40 PolarHBondContact O-SG 2.85Å; V36-L70 HydrophobicContact CG1-CD2 3.9Å; V36-W73 HydrophobicContact CB-CH2 4.11Å; V36-W73 HydrophobicContact CB-CZ2 4.02Å; V36-W73 HydrophobicContact CB-CZ3 4.4Å; V36-W73 HydrophobicContact CG1-CD2 3.56Å; V36-W73 HydrophobicContact CG1-CE3 3.68Å; V36-W73 HydrophobicContact CG1-CG 4.12Å; V36-W73 HydrophobicContact CG1-CH2 4.04Å; V36-W73 HydrophobicContact CG1-CZ2 3.93Å; V36-W73 HydrophobicContact CG1-CZ3 3.91Å
37Q92.2Very high94.1Very high102 Ų10271 Ų7148%0.47738%0.376SS..THydrogen-bonded Turntrans-72.5-44.9177.3-176.8171.2-17.800110.5D35 L39 C40 E41 W73D35-Q37 WeakPolarHBondContact OD1-CA 3.4Å; D35-Q37 WeakPolarHBondContact OD1-CB 3.28Å; D35-Q37 PolarHBondContact OD1-N 3.04Å; Q37-L39 VanDerWaalsContact C-N 3.28Å; Q37-L39 PolarHBondContact O-N 2.92Å; Q37-C40 CarbonylContact O-C 3.5Å; Q37-C40 WeakPolarHBondContact O-CA 3.28Å; Q37-C40 WeakPolarHBondContact O-CB 3.09Å; Q37-C40 PolarHBondContact O-N 3.15Å; Q37-E41 HydrophobicContact CG-CG 4.37Å; Q37-E41 VanDerWaalsContact CG-OE1 3.24Å; Q37-E41 WeakPolarHBondContact CG-OE1 3.36Å; Q37-E41 PolarHBondContact NE2-OE1 3.03Å; Q37-E41 PolarHBondContact O-N 3.44Å; Q37-W73 HydrophobicContact CB-CH2 4.2Å; Q37-W73 HydrophobicContact CB-CZ3 4.42Å
38Q94.2Very high94Very high129 Ų12972.6 Ų72.660%0.60338%0.381SS*.Hα-helixtrans-57.1-42.5172.5-169.1-179.13.400111.2D35 C40 E41 A42D35-Q38 HydrophobicContact CB-CB 3.99Å; D35-Q38 PolarHBondContact OD1-N 3.34Å; Q38-C40 PolarHBondContact O-N 3.35Å; Q38-E41 PolarHBondContact O-N 2.9Å; Q38-A42 WeakPolarHBondContact O-CB 3Å; Q38-A42 PolarHBondContact O-N 3.32Å
39L94.7Very high94Very high8 Ų879.1 Ų79.14%0.04241%0.412CS..Hα-helixtrans-65.1-17.3173.6-70.7172.6000114.5L12 F28 D35 Q37 I50 L70L12-L39 HydrophobicContact CD1-CD1 3.65Å; F28-L39 HydrophobicContact CD1-CD1 4.24Å; F28-L39 HydrophobicContact CE1-CD1 4.08Å; F28-L39 HydrophobicContact CE1-CD2 4.13Å; D35-L39 WeakPolarHBondContact O-CG 3.47Å; D35-L39 PolarHBondContact O-N 2.76Å; Q37-L39 VanDerWaalsContact C-N 3.28Å; Q37-L39 PolarHBondContact O-N 2.92Å; L39-I50 HydrophobicContact CD2-CD1 4.19Å; L39-I50 HydrophobicContact CD2-CG2 4Å; L39-L70 HydrophobicContact CB-CD1 4.36Å; L39-L70 HydrophobicContact CB-CD2 4.06Å; L39-L70 WeakPolarHBondContact O-CD1 3.48Å
40C94.3Very high94Very high47 Ų4779.1 Ų79.132%0.31841%0.412SS..Hα-helixtrans-91.2-27.2173-66.10000113.5V36 Q37 Q38V36-C40 PolarHBondContact O-N 3.49Å; V36-C40 PolarHBondContact O-SG 2.85Å; Q37-C40 CarbonylContact O-C 3.5Å; Q37-C40 WeakPolarHBondContact O-CA 3.28Å; Q37-C40 WeakPolarHBondContact O-CB 3.09Å; Q37-C40 PolarHBondContact O-N 3.15Å; Q38-C40 PolarHBondContact O-N 3.35Å
41E94.3Very high94Very high138 Ų13871.7 Ų71.765%0.64538%0.377SS*.Hα-helixtrans-97.9-18.6-173.7-69.4176.2-174.500113.6Q37 Q38Q37-E41 HydrophobicContact CG-CG 4.37Å; Q37-E41 VanDerWaalsContact CG-OE1 3.24Å; Q37-E41 WeakPolarHBondContact CG-OE1 3.36Å; Q37-E41 PolarHBondContact NE2-OE1 3.03Å; Q37-E41 PolarHBondContact O-N 3.44Å; Q38-E41 PolarHBondContact O-N 2.9Å
42A94.9Very high94.1Very high25 Ų2569.6 Ų69.621%0.20738%0.378CS..  trans-53139.9177.700000113.8Q38 E46 F47Q38-A42 WeakPolarHBondContact O-CB 3Å; Q38-A42 PolarHBondContact O-N 3.32Å; A42-E46 WeakPolarHBondContact CA-OE2 3.4Å; A42-E46 HydrophobicContact CB-CB 4.23Å; A42-F47 HydrophobicContact CB-CB 4.45Å
43A93.4Very high94.3Very high49 Ų4971.4 Ų71.441%0.40538%0.375SS..  trans-64.6162.6173.700000111.8E45 E46 F47A43-E45 PolarHBondContact O-N 3.36Å; A43-E46 HydrophobicContact CB-CG 4.24Å; A43-E46 PolarHBondContact N-OE2 2.59Å; A43-E46 PolarHBondContact O-N 3.44Å; A43-F47 WeakPolarHBondContact O-CB 3.22Å; A43-F47 PolarHBondContact O-N 3.02Å
44E92.9Very high94.4Very high145 Ų14571 Ų7168%0.67837%0.37SS*.Hα-helixtrans-60.6-34.3-178.2-177.1158.2-145.800112.4L48E44-L48 HydrophobicContact CG-CD1 4.02Å; E44-L48 HydrophobicContact CG-CG 4.47Å; E44-L48 WeakPolarHBondContact O-CB 3.49Å; E44-L48 WeakPolarHBondContact O-CD1 3.5Å; E44-L48 WeakPolarHBondContact O-CG 3.47Å; E44-L48 PolarHBondContact O-N 3.14Å
45E94.3Very high94.5Very high167 Ų16770.5 Ų70.578%0.7838%0.376SS*.Hα-helixtrans-67.4-54.2177.4-66.5165.5-174.800111.6A43 F47 L48 E49A43-E45 PolarHBondContact O-N 3.36Å; E45-F47 VanDerWaalsContact C-N 3.32Å; E45-F47 PolarHBondContact O-N 3.27Å; E45-L48 PolarHBondContact O-N 3.43Å; E45-E49 PolarHBondContact O-N 3.05Å
46E94.8Very high94.6Very high108 Ų10866.7 Ų66.751%0.50536%0.356SS..Hα-helixtrans-57.6-44.4175.2-59.2174.6135.900111.4A42 A43 L48 E49 I50A42-E46 WeakPolarHBondContact CA-OE2 3.4Å; A42-E46 HydrophobicContact CB-CB 4.23Å; A43-E46 HydrophobicContact CB-CG 4.24Å; A43-E46 PolarHBondContact N-OE2 2.59Å; A43-E46 PolarHBondContact O-N 3.44Å; E46-L48 VanDerWaalsContact C-N 3.35Å; E46-L48 PolarHBondContact O-N 2.77Å; E46-E49 PolarHBondContact O-N 2.9Å; E46-I50 VanDerWaalsContact O-CG1 3.27Å; E46-I50 WeakPolarHBondContact O-CG1 3.23Å; E46-I50 PolarHBondContact O-N 3.47Å
47F94.8Very high94.6Very high16 Ų1669 Ų697%0.0738%0.375CS..Hα-helixtrans-63.2-40.8178.4-177.7-94.4000111.3A42 A43 E45 I50 M51 V63 Q67 L70A42-F47 HydrophobicContact CB-CB 4.45Å; A43-F47 WeakPolarHBondContact O-CB 3.22Å; A43-F47 PolarHBondContact O-N 3.02Å; E45-F47 VanDerWaalsContact C-N 3.32Å; E45-F47 PolarHBondContact O-N 3.27Å; F47-I50 PolarHBondContact O-N 3.14Å; F47-M51 HydrophobicContact CD1-CG 3.94Å; F47-M51 HydrophobicContact CD2-CE 4.26Å; F47-M51 HydrophobicContact CE1-CE 4.36Å; F47-M51 HydrophobicContact CE1-CG 3.58Å; F47-M51 HydrophobicContact CE1-SD 3.99Å; F47-M51 HydrophobicContact CE2-CE 3.79Å; F47-M51 HydrophobicContact CE2-SD 4.31Å; F47-M51 HydrophobicContact CZ-CE 3.84Å; F47-M51 HydrophobicContact CZ-CG 3.96Å; F47-M51 HydrophobicContact CZ-SD 3.72Å; F47-M51 WeakPolarHBondContact O-CB 3.32Å; F47-M51 VanDerWaalsContact O-CG 3.22Å; F47-M51 WeakPolarHBondContact O-CG 3.35Å; F47-M51 PolarHBondContact O-N 2.93Å; F47-V63 HydrophobicContact CE1-CG1 3.73Å; F47-V63 HydrophobicContact CZ-CG1 4.31Å; F47-Q67 HydrophobicContact CE1-CG 3.73Å; F47-Q67 HydrophobicContact CZ-CG 3.6Å; F47-L70 HydrophobicContact CE2-CD1 4Å
48L94Very high94.7Very high91 Ų9170 Ų7048%0.47639%0.388SS..Hα-helixtrans-66.6-38.1175.7-76.8169.3000112.5E44 E45 E46 M51 A52E44-L48 HydrophobicContact CG-CD1 4.02Å; E44-L48 HydrophobicContact CG-CG 4.47Å; E44-L48 WeakPolarHBondContact O-CB 3.49Å; E44-L48 WeakPolarHBondContact O-CD1 3.5Å; E44-L48 WeakPolarHBondContact O-CG 3.47Å; E44-L48 PolarHBondContact O-N 3.14Å; E45-L48 PolarHBondContact O-N 3.43Å; E46-L48 VanDerWaalsContact C-N 3.35Å; E46-L48 PolarHBondContact O-N 2.77Å; L48-M51 PolarHBondContact O-N 2.99Å; L48-A52 PolarHBondContact O-N 3.37Å
49E95.6Very high94.8Very high138 Ų13868.6 Ų68.665%0.64538%0.38SS*.Hα-helixtrans-61.2-50.7172.5-177.3172.4-165.800111E45 E46 M51 A52 L53E45-E49 PolarHBondContact O-N 3.05Å; E46-E49 PolarHBondContact O-N 2.9Å; E49-M51 VanDerWaalsContact C-N 3.29Å; E49-M51 PolarHBondContact O-N 3.13Å; E49-A52 WeakPolarHBondContact O-CB 3.33Å; E49-A52 PolarHBondContact O-N 2.73Å; E49-L53 VanDerWaalsContact O-CB 3.31Å; E49-L53 WeakPolarHBondContact O-CB 3.28Å; E49-L53 PolarHBondContact O-N 2.99Å
50I95.4Very high94.8Very high44 Ų4472.4 Ų72.423%0.22641%0.405CS..Hα-helixtrans-56.8-44.1175.1-63.3163.5000110.2F28 L39 E46 F47 A52 L53 V54F28-I50 HydrophobicContact CE1-CG2 4.12Å; L39-I50 HydrophobicContact CD2-CD1 4.19Å; L39-I50 HydrophobicContact CD2-CG2 4Å; E46-I50 VanDerWaalsContact O-CG1 3.27Å; E46-I50 WeakPolarHBondContact O-CG1 3.23Å; E46-I50 PolarHBondContact O-N 3.47Å; F47-I50 PolarHBondContact O-N 3.14Å; I50-A52 VanDerWaalsContact C-N 3.3Å; I50-A52 PolarHBondContact O-N 3.01Å; I50-L53 PolarHBondContact O-N 2.91Å; I50-V54 HydrophobicContact CG2-CG1 4.46Å; I50-V54 WeakPolarHBondContact O-CG2 3.43Å; I50-V54 PolarHBondContact O-N 3.01Å
51M96Very high94.9Very high0 Ų076.6 Ų76.60%042%0.424CS..Hα-helixtrans-62.6-34.1177.2-71.4-47.591.400112.8F28 F47 L48 E49 M56 A57 V63 L66F28-M51 HydrophobicContact CE1-CE 4.37Å; F28-M51 HydrophobicContact CZ-CE 4.06Å; F47-M51 HydrophobicContact CD1-CG 3.94Å; F47-M51 HydrophobicContact CD2-CE 4.26Å; F47-M51 HydrophobicContact CE1-CE 4.36Å; F47-M51 HydrophobicContact CE1-CG 3.58Å; F47-M51 HydrophobicContact CE1-SD 3.99Å; F47-M51 HydrophobicContact CE2-CE 3.79Å; F47-M51 HydrophobicContact CE2-SD 4.31Å; F47-M51 HydrophobicContact CZ-CE 3.84Å; F47-M51 HydrophobicContact CZ-CG 3.96Å; F47-M51 HydrophobicContact CZ-SD 3.72Å; F47-M51 WeakPolarHBondContact O-CB 3.32Å; F47-M51 VanDerWaalsContact O-CG 3.22Å; F47-M51 WeakPolarHBondContact O-CG 3.35Å; F47-M51 PolarHBondContact O-N 2.93Å; L48-M51 PolarHBondContact O-N 2.99Å; E49-M51 VanDerWaalsContact C-N 3.29Å; E49-M51 PolarHBondContact O-N 3.13Å; M51-M56 HydrophobicContact CE-CE 4.34Å; M51-M56 CarbonylContact O-C 3.26Å; M51-M56 WeakPolarHBondContact O-CA 3.19Å; M51-M56 PolarHBondContact O-N 3.04Å; M51-M56 HydrophobicContact SD-CB 4.28Å; M51-M56 HydrophobicContact SD-CE 3.4Å; M51-M56 WeakPolarHBondContact SD-CE 3.36Å; M51-A57 HydrophobicContact CB-CB 4.34Å; M51-A57 PolarHBondContact O-N 3.34Å; M51-V63 HydrophobicContact CB-CG2 4.38Å; M51-V63 HydrophobicContact CG-CG1 4.01Å; M51-V63 HydrophobicContact CG-CG2 4.03Å; M51-V63 HydrophobicContact SD-CG1 4.3Å; M51-V63 HydrophobicContact SD-CG2 4.21Å; M51-L66 HydrophobicContact CE-CD2 3.81Å; M51-L66 HydrophobicContact SD-CD2 3.96Å
52A95.6Very high95Very high60 Ų6072.1 Ų72.150%0.49640%0.403SS..Hα-helixtrans-70.6-48.1175.200000110.9L48 E49 I50 V54 G55 A57L48-A52 PolarHBondContact O-N 3.37Å; E49-A52 WeakPolarHBondContact O-CB 3.33Å; E49-A52 PolarHBondContact O-N 2.73Å; I50-A52 VanDerWaalsContact C-N 3.3Å; I50-A52 PolarHBondContact O-N 3.01Å; A52-V54 PolarHBondContact O-N 3.45Å; A52-G55 PolarHBondContact O-N 3.48Å; A52-A57 HydrophobicContact CB-CB 4.03Å
53L96Very high95.1Very high88 Ų8871.7 Ų71.746%0.46140%0.397SS..Hα-helixtrans-65.4-29.5-176.7176.2143.9000113.9Q31 E49 I50Q31-L53 HydrophobicContact CB-CD2 3.69Å; Q31-L53 VanDerWaalsContact CD-CD2 3.46Å; Q31-L53 HydrophobicContact CG-CD2 3.5Å; Q31-L53 HydrophobicContact CG-CG 4.5Å; E49-L53 VanDerWaalsContact O-CB 3.31Å; E49-L53 WeakPolarHBondContact O-CB 3.28Å; E49-L53 PolarHBondContact O-N 2.99Å; I50-L53 PolarHBondContact O-N 2.91Å
54V95.8Very high95.2Very high7 Ų777.3 Ų77.34%0.04241%0.408CS..THydrogen-bonded Turntrans-91.16.6169.5-52.20000114.2Y24 F28 I50 A52 M56Y24-V54 WeakPolarHBondContact CD1-O 3.13Å; F28-V54 HydrophobicContact CD1-CG1 3.97Å; F28-V54 HydrophobicContact CD2-CG1 4.4Å; F28-V54 HydrophobicContact CE1-CG1 4.05Å; F28-V54 HydrophobicContact CE1-CG2 4.3Å; F28-V54 HydrophobicContact CE2-CB 4.38Å; F28-V54 HydrophobicContact CE2-CG1 4.47Å; F28-V54 HydrophobicContact CE2-CG2 3.93Å; F28-V54 HydrophobicContact CG-CG1 4.15Å; F28-V54 HydrophobicContact CZ-CB 4.45Å; F28-V54 HydrophobicContact CZ-CG1 4.29Å; F28-V54 HydrophobicContact CZ-CG2 3.77Å; I50-V54 HydrophobicContact CG2-CG1 4.46Å; I50-V54 WeakPolarHBondContact O-CG2 3.43Å; I50-V54 PolarHBondContact O-N 3.01Å; A52-V54 PolarHBondContact O-N 3.45Å; V54-M56 HydrophobicContact CG2-CB 4.2Å; V54-M56 HydrophobicContact CG2-CG 4.06Å
55G94.6Very high95.5Very high39 Ų3974.3 Ų74.340%0.40239%0.391SS..THydrogen-bonded Turntrans70.830176.800000115.3A52A52-G55 PolarHBondContact O-N 3.48Å
56M95.5Very high95.6Very high0 Ų066.4 Ų66.40%035%0.353CS..  trans-106-21175.5-74-145.8-49.400115.2L21 Y24 F28 M51 V54 T58 K59 H62 V63 L66L21-M56 HydrophobicContact CD1-CE 4.49Å; L21-M56 HydrophobicContact CD1-SD 4.21Å; L21-M56 HydrophobicContact CD2-SD 4.36Å; Y24-M56 HydrophobicContact CD1-CG 3.53Å; Y24-M56 HydrophobicContact CD1-SD 4.14Å; Y24-M56 HydrophobicContact CD2-CG 4.19Å; Y24-M56 HydrophobicContact CD2-SD 3.79Å; Y24-M56 HydrophobicContact CE1-CG 3.33Å; Y24-M56 HydrophobicContact CE1-SD 4.23Å; Y24-M56 HydrophobicContact CE2-CG 4.04Å; Y24-M56 HydrophobicContact CE2-SD 3.92Å; Y24-M56 HydrophobicContact CG-CG 3.94Å; Y24-M56 HydrophobicContact CG-SD 3.9Å; F28-M56 HydrophobicContact CE2-CE 4.29Å; F28-M56 HydrophobicContact CZ-CE 4.23Å; M51-M56 HydrophobicContact CE-CE 4.34Å; M51-M56 CarbonylContact O-C 3.26Å; M51-M56 WeakPolarHBondContact O-CA 3.19Å; M51-M56 PolarHBondContact O-N 3.04Å; M51-M56 HydrophobicContact SD-CB 4.28Å; M51-M56 HydrophobicContact SD-CE 3.4Å; M51-M56 WeakPolarHBondContact SD-CE 3.36Å; V54-M56 HydrophobicContact CG2-CB 4.2Å; V54-M56 HydrophobicContact CG2-CG 4.06Å; M56-T58 VanDerWaalsContact C-N 3.26Å; M56-T58 PolarHBondContact O-N 2.99Å; M56-K59 CarbonylContact O-C 3.45Å; M56-K59 WeakPolarHBondContact O-CA 3.43Å; M56-K59 PolarHBondContact O-N 3.08Å; M56-H62 HydrophobicContact CG-CB 4.42Å; M56-H62 HydrophobicContact SD-CB 3.7Å; M56-V63 HydrophobicContact CB-CG2 4.26Å; M56-V63 WeakPolarHBondContact O-CG2 3.46Å; M56-L66 HydrophobicContact CE-CB 4.03Å; M56-L66 HydrophobicContact CE-CD2 3.54Å; M56-L66 HydrophobicContact CE-CG 4.41Å
57A93.1Very high95.6Very high47 Ų4763.3 Ų63.339%0.38834%0.339SS..THydrogen-bonded Turntrans-55.7-38.6-176.400000113.3M51 A52 K59M51-A57 HydrophobicContact CB-CB 4.34Å; M51-A57 PolarHBondContact O-N 3.34Å; A52-A57 HydrophobicContact CB-CB 4.03Å; A57-K59 PolarHBondContact O-N 3.25Å; A57-K59 VanDerWaalsContact O-N 3.12Å
58T94.9Very high95.7Very high123 Ų12367.6 Ų67.676%0.75536%0.358SS*.THydrogen-bonded Turntrans-69.4-3.717656.20000114.3M56M56-T58 VanDerWaalsContact C-N 3.26Å; M56-T58 PolarHBondContact O-N 2.99Å
59K96.4Very high95.8Very high100 Ų10063.5 Ų63.544%0.43534%0.337SS..  trans-128.377.6-176.7-63.1178.9-167171.20109.9Y24 M56 A57 L61 H62 V63Y24-K59 WeakPolarHBondContact OH-CD 3.34Å; Y24-K59 PolarHBondContact OH-NZ 3.29Å; M56-K59 CarbonylContact O-C 3.45Å; M56-K59 WeakPolarHBondContact O-CA 3.43Å; M56-K59 PolarHBondContact O-N 3.08Å; A57-K59 PolarHBondContact O-N 3.25Å; A57-K59 VanDerWaalsContact O-N 3.12Å; K59-L61 PolarHBondContact O-N 3.23Å; K59-L61 VanDerWaalsContact O-N 3.08Å; K59-H62 HydrophobicContact CB-CB 4.08Å; K59-H62 WeakPolarHBondContact O-CA 3.32Å; K59-H62 VanDerWaalsContact O-CB 3.32Å; K59-H62 WeakPolarHBondContact O-CB 3.24Å; K59-H62 PolarHBondContact O-N 2.91Å; K59-V63 PolarHBondContact O-N 3.36Å
60P93.3Very high95.8Very high88 Ų8857.2 Ų57.257%0.57131%0.308SS*.Hα-helixtrans-58.5-29.2-17420.6-33.1000114H62 V63 R64P60-H62 PolarHBondContact O-N 3.32Å; P60-V63 PolarHBondContact O-N 3.34Å; P60-R64 WeakPolarHBondContact O-CB 3.49Å; P60-R64 VanDerWaalsContact O-CG 3.32Å; P60-R64 WeakPolarHBondContact O-CG 3.49Å; P60-R64 PolarHBondContact O-N 3.06Å
61L97.1Very high95.7Very high136 Ų13663 Ų6371%0.71233%0.327SS*.Hα-helixtrans-69.7-15.6173.5-64.4-179.1000114.1K59 R65K59-L61 PolarHBondContact O-N 3.23Å; K59-L61 VanDerWaalsContact O-N 3.08Å; L61-R65 VanDerWaalsContact O-CG 3.28Å; L61-R65 WeakPolarHBondContact O-CG 3.17Å; L61-R65 PolarHBondContact O-NE 3.33Å
62H96.9Very high95.6Very high44 Ų4465.8 Ų65.820%0.20434%0.341CS..Hα-helixtrans-85.4-48.1172.8-67.9-157.7000109.3L21 Y24 M56 K59 P60 R64 R65 L66L21-H62 HydrophobicContact CD2-CB 3.85Å; Y24-H62 AromaticContact CE2-CE1 3.92Å; Y24-H62 AromaticContact CE2-ND1 3.31Å; Y24-H62 VanDerWaalsContact CE2-ND1 3.31Å; Y24-H62 WeakPolarHBondContact CE2-ND1 3.27Å; Y24-H62 AromaticContact CZ-ND1 3.61Å; Y24-H62 PolarHBondContact OH-ND1 3.31Å; M56-H62 HydrophobicContact CG-CB 4.42Å; M56-H62 HydrophobicContact SD-CB 3.7Å; K59-H62 HydrophobicContact CB-CB 4.08Å; K59-H62 WeakPolarHBondContact O-CA 3.32Å; K59-H62 VanDerWaalsContact O-CB 3.32Å; K59-H62 WeakPolarHBondContact O-CB 3.24Å; K59-H62 PolarHBondContact O-N 2.91Å; P60-H62 PolarHBondContact O-N 3.32Å; H62-R64 VanDerWaalsContact C-N 3.34Å; H62-R64 PolarHBondContact O-N 2.83Å; H62-R65 PolarHBondContact CD2-NH2 3.22Å; H62-R65 PolarHBondContact NE2-NH2 3.04Å; H62-R65 WeakPolarHBondContact O-CA 3.36Å; H62-R65 WeakPolarHBondContact O-CB 3.49Å; H62-R65 PolarHBondContact O-N 3.06Å; H62-L66 PolarHBondContact O-N 3.08Å
63V96.3Very high95.5Very high15 Ų1564 Ų649%0.09132%0.322CS..Hα-helixtrans-52.5-49.8172.1-175.30000111.2F47 M51 M56 K59 P60 R65 L66 Q67F47-V63 HydrophobicContact CE1-CG1 3.73Å; F47-V63 HydrophobicContact CZ-CG1 4.31Å; M51-V63 HydrophobicContact CB-CG2 4.38Å; M51-V63 HydrophobicContact CG-CG1 4.01Å; M51-V63 HydrophobicContact CG-CG2 4.03Å; M51-V63 HydrophobicContact SD-CG1 4.3Å; M51-V63 HydrophobicContact SD-CG2 4.21Å; M56-V63 HydrophobicContact CB-CG2 4.26Å; M56-V63 WeakPolarHBondContact O-CG2 3.46Å; K59-V63 PolarHBondContact O-N 3.36Å; P60-V63 PolarHBondContact O-N 3.34Å; V63-R65 VanDerWaalsContact C-N 3.28Å; V63-R65 PolarHBondContact O-N 3.12Å; V63-L66 PolarHBondContact O-N 2.99Å; V63-Q67 HydrophobicContact CG1-CG 4.28Å; V63-Q67 WeakPolarHBondContact O-CB 3.36Å; V63-Q67 WeakPolarHBondContact O-CG 3.05Å; V63-Q67 PolarHBondContact O-N 3Å
64R96.8Very high95.3Very high168 Ų16862.6 Ų62.663%0.63432%0.323SS*.Hα-helixtrans-63.3-27.8176.9-69.1-59.3-170.1-157.73114P60 H62 K68P60-R64 WeakPolarHBondContact O-CB 3.49Å; P60-R64 VanDerWaalsContact O-CG 3.32Å; P60-R64 WeakPolarHBondContact O-CG 3.49Å; P60-R64 PolarHBondContact O-N 3.06Å; H62-R64 VanDerWaalsContact C-N 3.34Å; H62-R64 PolarHBondContact O-N 2.83Å; R64-K68 PolarHBondContact O-N 3.42Å
65R97.5Very high95.1Very high82 Ų8266.4 Ų66.431%0.30936%0.355SS..Hα-helixtrans-75.5-42.6173.9-77.8-172.8-64.8143.7-12.2111.6A19 N20 L21 L61 H62 V63 K68 A69A19-R65 PolarHBondContact O-NH1 2.87Å; N20-R65 PolarHBondContact O-NH1 3.42Å; L21-R65 HydrophobicContact CD1-CB 4.17Å; L61-R65 VanDerWaalsContact O-CG 3.28Å; L61-R65 WeakPolarHBondContact O-CG 3.17Å; L61-R65 PolarHBondContact O-NE 3.33Å; H62-R65 PolarHBondContact CD2-NH2 3.22Å; H62-R65 PolarHBondContact NE2-NH2 3.04Å; H62-R65 WeakPolarHBondContact O-CA 3.36Å; H62-R65 WeakPolarHBondContact O-CB 3.49Å; H62-R65 PolarHBondContact O-N 3.06Å; V63-R65 VanDerWaalsContact C-N 3.28Å; V63-R65 PolarHBondContact O-N 3.12Å; R65-K68 PolarHBondContact O-N 3.41Å; R65-A69 PolarHBondContact O-N 2.71Å
66L96.8Very high94.8Very high0 Ų067.9 Ų67.90%035%0.354CS..Hα-helixtrans-64-49.8174.2-17861.3000111.2V15 L16 L21 F28 M51 M56 H62 V63 K68 A69 L70V15-L66 HydrophobicContact CG1-CD1 3.9Å; L16-L66 HydrophobicContact CD2-CD1 4.07Å; L21-L66 HydrophobicContact CD1-CB 3.83Å; F28-L66 HydrophobicContact CE2-CD2 4.38Å; F28-L66 HydrophobicContact CZ-CD2 3.68Å; M51-L66 HydrophobicContact CE-CD2 3.81Å; M51-L66 HydrophobicContact SD-CD2 3.96Å; M56-L66 HydrophobicContact CE-CB 4.03Å; M56-L66 HydrophobicContact CE-CD2 3.54Å; M56-L66 HydrophobicContact CE-CG 4.41Å; H62-L66 PolarHBondContact O-N 3.08Å; V63-L66 PolarHBondContact O-N 2.99Å; L66-K68 PolarHBondContact O-N 3.29Å; L66-A69 PolarHBondContact O-N 2.71Å; L66-L70 HydrophobicContact CD1-CD1 3.99Å; L66-L70 HydrophobicContact CD1-CD2 4.32Å; L66-L70 HydrophobicContact CD1-CG 3.85Å; L66-L70 HydrophobicContact CD2-CD1 4.24Å; L66-L70 HydrophobicContact CG-CD1 3.68Å; L66-L70 HydrophobicContact CG-CG 4.06Å; L66-L70 WeakPolarHBondContact O-CG 3.15Å; L66-L70 PolarHBondContact O-N 3.42Å
67Q95.9Very high94.2Very high43 Ų4371 Ų7120%0.20137%0.374CS..Hα-helixtrans-55.9-24.9174.8-75.5-176.6-2300113.5F47 V63 R71F47-Q67 HydrophobicContact CE1-CG 3.73Å; F47-Q67 HydrophobicContact CZ-CG 3.6Å; V63-Q67 HydrophobicContact CG1-CG 4.28Å; V63-Q67 WeakPolarHBondContact O-CB 3.36Å; V63-Q67 WeakPolarHBondContact O-CG 3.05Å; V63-Q67 PolarHBondContact O-N 3Å; Q67-R71 PolarHBondContact O-NE 3.28Å; Q67-R71 PolarHBondContact O-NH2 2.87Å
68K95.9Very high93.7Very high107 Ų10771.4 Ų71.447%0.46538%0.378SS..Hα-helixtrans-80-48170.4-163.1-155.5178.7-610111.4R64 R65 L66 L70 R71 D72R64-K68 PolarHBondContact O-N 3.42Å; R65-K68 PolarHBondContact O-N 3.41Å; L66-K68 PolarHBondContact O-N 3.29Å; K68-L70 VanDerWaalsContact C-N 3.34Å; K68-L70 PolarHBondContact O-N 2.98Å; K68-R71 PolarHBondContact O-N 3.16Å; K68-D72 IonicContact NZ-OD1 3.27Å; K68-D72 PolarHBondContact NZ-OD1 3.31Å; K68-D72 IonicContact NZ-OD2 3.06Å; K68-D72 PolarHBondContact NZ-OD2 3.42Å; K68-D72 WeakPolarHBondContact O-CB 3.31Å; K68-D72 VanDerWaalsContact O-CG 3.23Å; K68-D72 PolarHBondContact O-N 3.15Å
69A95.8Very high92.7Very high4 Ų469.3 Ų69.33%0.03336%0.361CS..Hα-helixtrans-64.6-35.7-177.100000113.1V15 A19 R65 L66 D72 W73V15-A69 HydrophobicContact CG1-CB 3.84Å; A19-A69 HydrophobicContact CB-CB 3.82Å; R65-A69 PolarHBondContact O-N 2.71Å; L66-A69 PolarHBondContact O-N 2.71Å; A69-D72 PolarHBondContact O-N 3.03Å; A69-W73 WeakPolarHBondContact O-CB 3.3Å; A69-W73 PolarHBondContact O-N 3.04Å
70L95.6Very high91.7Very high7 Ų764.9 Ų64.94%0.03734%0.342CS..Hα-helixtrans-63.7-47.3172.8-70.6170.1000111.7V15 V36 L39 F47 L66 K68 D72 W73 A74V15-L70 HydrophobicContact CG1-CD2 4.08Å; V15-L70 HydrophobicContact CG1-CG 4.41Å; V36-L70 HydrophobicContact CG1-CD2 3.9Å; L39-L70 HydrophobicContact CB-CD1 4.36Å; L39-L70 HydrophobicContact CB-CD2 4.06Å; L39-L70 WeakPolarHBondContact O-CD1 3.48Å; F47-L70 HydrophobicContact CE2-CD1 4Å; L66-L70 HydrophobicContact CD1-CD1 3.99Å; L66-L70 HydrophobicContact CD1-CD2 4.32Å; L66-L70 HydrophobicContact CD1-CG 3.85Å; L66-L70 HydrophobicContact CD2-CD1 4.24Å; L66-L70 HydrophobicContact CG-CD1 3.68Å; L66-L70 HydrophobicContact CG-CG 4.06Å; L66-L70 WeakPolarHBondContact O-CG 3.15Å; L66-L70 PolarHBondContact O-N 3.42Å; K68-L70 VanDerWaalsContact C-N 3.34Å; K68-L70 PolarHBondContact O-N 2.98Å; L70-D72 PolarHBondContact O-N 2.83Å; L70-W73 WeakPolarHBondContact O-CB 3.48Å; L70-W73 PolarHBondContact O-N 3.33Å; L70-W73 VanDerWaalsContact O-N 3.13Å; L70-A74 PolarHBondContact O-N 3.18Å
71R94.7Very high90.6Very high165 Ų16565.2 Ų65.262%0.62335%0.346SS*.Hα-helixtrans-65.6-37174.7-74.1-179.9-65.5143.91.1113.2Q67 K68 W73 A75Q67-R71 PolarHBondContact O-NE 3.28Å; Q67-R71 PolarHBondContact O-NH2 2.87Å; K68-R71 PolarHBondContact O-N 3.16Å; R71-W73 VanDerWaalsContact C-N 3.26Å; R71-W73 PolarHBondContact O-N 2.91Å; R71-A75 VanDerWaalsContact O-CB 3.24Å; R71-A75 WeakPolarHBondContact O-CB 3.45Å; R71-A75 PolarHBondContact O-N 3.48Å
72D93.2Very high88.9Confident58 Ų5865 Ų6531%0.3134%0.342SS..Hα-helixtrans-63.1-34.7172.7-70-9.2000111.3K68 A69 L70 N76 F80K68-D72 IonicContact NZ-OD1 3.27Å; K68-D72 PolarHBondContact NZ-OD1 3.31Å; K68-D72 IonicContact NZ-OD2 3.06Å; K68-D72 PolarHBondContact NZ-OD2 3.42Å; K68-D72 WeakPolarHBondContact O-CB 3.31Å; K68-D72 VanDerWaalsContact O-CG 3.23Å; K68-D72 PolarHBondContact O-N 3.15Å; A69-D72 PolarHBondContact O-N 3.03Å; L70-D72 PolarHBondContact O-N 2.83Å; D72-N76 PolarHBondContact O-N 2.96Å; D72-F80 HydrophobicContact CB-CE2 4.36Å; D72-F80 HydrophobicContact CB-CZ 4.05Å
73W93.7Very high86.9Confident23 Ų2368.4 Ų68.49%0.08737%0.368CS..Hα-helixtrans-73.4-52.6176.5178.894.1000111.6V15 V36 Q37 A69 L70 R71 A75 N76 P77 F80V15-W73 HydrophobicContact CG2-CB 4.02Å; V15-W73 HydrophobicContact CG2-CG 3.92Å; V36-W73 HydrophobicContact CB-CH2 4.11Å; V36-W73 HydrophobicContact CB-CZ2 4.02Å; V36-W73 HydrophobicContact CB-CZ3 4.4Å; V36-W73 HydrophobicContact CG1-CD2 3.56Å; V36-W73 HydrophobicContact CG1-CE3 3.68Å; V36-W73 HydrophobicContact CG1-CG 4.12Å; V36-W73 HydrophobicContact CG1-CH2 4.04Å; V36-W73 HydrophobicContact CG1-CZ2 3.93Å; V36-W73 HydrophobicContact CG1-CZ3 3.91Å; Q37-W73 HydrophobicContact CB-CH2 4.2Å; Q37-W73 HydrophobicContact CB-CZ3 4.42Å; A69-W73 WeakPolarHBondContact O-CB 3.3Å; A69-W73 PolarHBondContact O-N 3.04Å; L70-W73 WeakPolarHBondContact O-CB 3.48Å; L70-W73 PolarHBondContact O-N 3.33Å; L70-W73 VanDerWaalsContact O-N 3.13Å; R71-W73 VanDerWaalsContact C-N 3.26Å; R71-W73 PolarHBondContact O-N 2.91Å; W73-A75 PolarHBondContact O-N 2.88Å; W73-N76 CarbonylContact O-C 3.59Å; W73-N76 PolarHBondContact O-N 3.04Å; W73-P77 HydrophobicContact CZ2-CB 4.42Å; W73-P77 WeakPolarHBondContact O-CA 3.3Å; W73-P77 WeakPolarHBondContact O-CD 3.42Å; W73-P77 WeakPolarHBondContact O-CG 3.25Å; W73-F80 VanDerWaalsContact CA-CE2 3.4Å; W73-F80 HydrophobicContact CB-CD2 4.11Å; W73-F80 HydrophobicContact CB-CE1 4.31Å; W73-F80 HydrophobicContact CB-CE2 3.76Å; W73-F80 HydrophobicContact CB-CZ 3.85Å; W73-F80 AromaticContact CD1-CD2 3.77Å; W73-F80 AromaticContact CD1-CG 3.68Å; W73-F80 HydrophobicContact CG-CD2 4.3Å; W73-F80 HydrophobicContact CG-CE2 4.43Å
74A91.8Very high84.9Confident59 Ų5970.5 Ų70.549%0.48838%0.38SS..Hα-helixtrans-58.7-35178.900000112.3L70L70-A74 PolarHBondContact O-N 3.18Å
75A91.4Very high82.3Confident87 Ų8767 Ų6772%0.71939%0.387SS*.Hα-helixtrans-70.5-26.6174.700000114R71 W73R71-A75 VanDerWaalsContact O-CB 3.24Å; R71-A75 WeakPolarHBondContact O-CB 3.45Å; R71-A75 PolarHBondContact O-N 3.48Å; W73-A75 PolarHBondContact O-N 2.88Å
76N88.2Confident79.4Confident69 Ų6969.9 Ų69.937%0.36941%0.409SS..  trans-16488.5174.8-167.7-28.5000112.5D72 W73 A78 L79D72-N76 PolarHBondContact O-N 2.96Å; W73-N76 CarbonylContact O-C 3.59Å; W73-N76 PolarHBondContact O-N 3.04Å; N76-A78 PolarHBondContact O-N 2.76Å; N76-A78 PolarHBondContact OD1-N 2.79Å; N76-L79 HydrophobicContact CB-CD1 3.86Å; N76-L79 HydrophobicContact CB-CG 3.93Å; N76-L79 WeakPolarHBondContact O-CB 3.32Å; N76-L79 PolarHBondContact O-N 2.97Å; N76-L79 VanDerWaalsContact O-N 3.13Å
77P83.4Confident76.8Confident66 Ų6675.7 Ų75.743%0.42944%0.444SS..THydrogen-bonded Turntrans-62.4-28.2-177.4-26.435.6000113.5W73 L79 F80W73-P77 HydrophobicContact CZ2-CB 4.42Å; W73-P77 WeakPolarHBondContact O-CA 3.3Å; W73-P77 WeakPolarHBondContact O-CD 3.42Å; W73-P77 WeakPolarHBondContact O-CG 3.25Å; P77-L79 PolarHBondContact O-N 3.21Å; P77-F80 PolarHBondContact O-N 2.76Å
78A82Confident74Confident56 Ų5679.6 Ų79.646%0.46347%0.473SS..Hα-helixtrans-67-14.6179.200000113.8N76 F80 S81N76-A78 PolarHBondContact O-N 2.76Å; N76-A78 PolarHBondContact OD1-N 2.79Å; A78-F80 PolarHBondContact O-N 3.46Å; A78-S81 PolarHBondContact O-OG 3.39Å
79L75Confident71.3Confident78 Ų7882.8 Ų82.841%0.40849%0.494SS..Hα-helixtrans-71.8-12.5170.6-65.5-179.9000113.4R18 N76 P77R18-L79 PolarHBondContact NH1-O 3.42Å; N76-L79 HydrophobicContact CB-CD1 3.86Å; N76-L79 HydrophobicContact CB-CG 3.93Å; N76-L79 WeakPolarHBondContact O-CB 3.32Å; N76-L79 PolarHBondContact O-N 2.97Å; N76-L79 VanDerWaalsContact O-N 3.13Å; P77-L79 PolarHBondContact O-N 3.21Å
80F75.3Confident68.3Low8 Ų886.4 Ų86.44%0.03553%0.533CS..Hα-helixtrans-107.9-15.3-176.1-67.1-108000113.2R14 V15 R18 D72 W73 P77 A78R14-F80 HydrophobicContact CB-CB 4.18Å; R14-F80 HydrophobicContact CB-CD1 4.29Å; R14-F80 WeakPolarHBondContact CG-O 2.87Å; V15-F80 HydrophobicContact CB-CE1 4.5Å; V15-F80 HydrophobicContact CG2-CD1 3.96Å; V15-F80 HydrophobicContact CG2-CE1 3.94Å; R18-F80 HydrophobicContact CB-CD1 4.5Å; R18-F80 HydrophobicContact CB-CE1 3.9Å; R18-F80 VanDerWaalsContact CD-CZ 3.42Å; R18-F80 HydrophobicContact CG-CE1 4.27Å; D72-F80 HydrophobicContact CB-CE2 4.36Å; D72-F80 HydrophobicContact CB-CZ 4.05Å; W73-F80 VanDerWaalsContact CA-CE2 3.4Å; W73-F80 HydrophobicContact CB-CD2 4.11Å; W73-F80 HydrophobicContact CB-CE1 4.31Å; W73-F80 HydrophobicContact CB-CE2 3.76Å; W73-F80 HydrophobicContact CB-CZ 3.85Å; W73-F80 AromaticContact CD1-CD2 3.77Å; W73-F80 AromaticContact CD1-CG 3.68Å; W73-F80 HydrophobicContact CG-CD2 4.3Å; W73-F80 HydrophobicContact CG-CE2 4.43Å; P77-F80 PolarHBondContact O-N 2.76Å; A78-F80 PolarHBondContact O-N 3.46Å
81S68.7Low65.2Low94 Ų9489.6 Ų89.666%0.65757%0.567SS**Hα-helixtrans-80-21.5173.258.60000113.7A78A78-S81 PolarHBondContact O-OG 3.39Å
82Q62.3Low62.4Low132 Ų13289.2 Ų89.262%0.61758%0.575SS**SBendtrans-68143.6176.7-66.1-168.51.700112.1V84Q82-V84 PolarHBondContact O-N 3.15Å
83P55.2Low59.8Low116 Ų11692.1 Ų92.175%0.75360%0.598SS**  trans-63.2107.9172.3-19.231.8000110.7A85P83-A85 PolarHBondContact O-N 3.14Å
84V53.5Low56.9Low58 Ų5897.9 Ų97.935%0.35263%0.629SS.*PPolyproline II helixtrans-64.8121.3165.2-69.80000108.2Q82 N86Q82-V84 PolarHBondContact O-N 3.15Å; V84-N86 PolarHBondContact O-N 2.92Å
85A41.8Very low54Low94 Ų94103.3 Ų103.378%0.77764%0.642SS**PPolyproline II helixtrans-60.3125.5179.300000109.6P83 V87P83-A85 PolarHBondContact O-N 3.14Å; A85-V87 PolarHBondContact O-N 3.37Å; A85-V87 VanDerWaalsContact O-N 3.14Å
86N37Very low51.1Low143 Ų143108.2 Ų108.277%0.76565%0.647SS**PPolyproline II helixtrans-60.7118.4-178.7-88.3-1.5000110.4V84 P88V84-N86 PolarHBondContact O-N 2.92Å; N86-P88 WeakPolarHBondContact O-CD 3.36Å
87V41.9Very low48.4Very low123 Ų123110.8 Ų110.875%0.74567%0.665SS**PPolyproline II helixtrans-74122.9159.1178.30000107.2A85 L89A85-V87 PolarHBondContact O-N 3.37Å; A85-V87 VanDerWaalsContact O-N 3.14Å; V87-L89 PolarHBondContact O-N 3.49Å
88P38.3Very low45.6Very low124 Ų124116.4 Ų116.481%0.80569%0.686SS**PPolyproline II helixtrans-62.7122175.5-2334.9000111N86N86-P88 WeakPolarHBondContact O-CD 3.36Å
89L39.4Very low43Very low174 Ų174117.3 Ų117.391%0.91170%0.701SS**PPolyproline II helixtrans-102.3124.8172.6-88.4163.8000109.5V87V87-L89 PolarHBondContact O-N 3.49Å
90G32.4Very low40.8Very low81 Ų81120.4 Ų120.484%0.83572%0.723SS**  trans103125.9174.200000113.8
91G30.7Very low38.5Very low73 Ų73123.2 Ų123.275%0.75375%0.754SS**  trans170.849.4-176.300000112.7P93G91-P93 WeakPolarHBondContact O-CD 3.37Å
92I36.2Very low36.7Very low157 Ų157124.1 Ų124.181%0.80576%0.76SS**  trans-74.4123.8177.4-51.3170.8000108.1L94I92-L94 PolarHBondContact O-N 3.35Å
93P38Very low35.1Very low120 Ų120124 Ų12478%0.77978%0.775SS**  trans-77.487.4176.931.2-33.7000110.4G91G91-P93 WeakPolarHBondContact O-CD 3.37Å
94L33.2Very low33.8Very low144 Ų144121.9 Ų121.975%0.75477%0.773SS**  trans-86.7147.8168.4-16366000110.4I92I92-L94 PolarHBondContact O-N 3.35Å
95F29.9Very low32.8Very low173 Ų173124.8 Ų124.876%0.75980%0.796SS**  trans-104.4176.2-164.229.3-104.5000113.4
96K29.8Very low32.4Very low190 Ų190125.3 Ų125.383%0.82680%0.8SS**  trans87.4121.2-179.7-122168.3178.5178.30113.8
97V32.6Very low31.9Very low123 Ų123122.4 Ų122.475%0.74581%0.805SS**  cis69.212345.1178.60000110
98E24.5Very low31.2Very low183 Ų183119.6 Ų119.686%0.85580%0.8SS**  cis-167161.81.7163-179.9155.200108.6
99G27.4Very low31Very low76 Ų76120.6 Ų120.678%0.78479%0.794SS**  trans170.886.9177.300000119.1
100T28.3Very low30.8Very low143 Ų143121.6 Ų121.688%0.87779%0.786SS**  trans-25.4140.5163.5-50.10000120.3
101G27.9Very low31Very low66 Ų66126.8 Ų126.868%0.6879%0.785SS**  trans138.9101.5159.800000113.3
102S29.6Very low30.9Very low113 Ų113127.5 Ų127.579%0.7978%0.784SS**  75.9116.972.7-68.40000115.1
103S30.3Very low30.7Very low131 Ų131128 Ų12892%0.91679%0.787SS**  trans56.5159.5171.253.30000118.1
104G27.8Very low30.4Very low70 Ų70127.5 Ų127.572%0.72279%0.787SS**  cis161.3110.8-12.700000114.2
105S30.7Very low30.3Very low120 Ų120128.4 Ų128.484%0.83979%0.792SS**  trans49.5111.5153.6-127.80000122.3
106A33.8Very low30.4Very low104 Ų104124 Ų12486%0.8680%0.796SS**  70.7145.7118.600000123.8
107G27.3Very low30.4Very low83 Ų83124.1 Ų124.186%0.85680%0.799SS**  trans166.6125.9159.700000110.9
108G27.3Very low31.2Very low63 Ų63123.7 Ų123.765%0.64980%0.799SS**  cis-150.2-165.8-8.200000110.4
109H33.3Very low31.3Very low146 Ų146118.9 Ų118.968%0.67680%0.799SS**  cis-157.6142.431.6-79.2-35.5000114
110R36.3Very low31.6Very low195 Ų195120.8 Ų120.874%0.73680%0.8SS**  trans49125.6133.6-51.1-178.3-57.1-116.27118.6
111K35.4Very low32.2Very low190 Ų190120 Ų12083%0.82680%0.797SS**  cis-146.71395.7-56.9-177.3179.6178.30106.6
112A30Very low32.2Very low88 Ų88122.2 Ų122.273%0.72780%0.801SS**  46.5125.679.800000113.7
113L31.3Very low32Very low168 Ų168123.3 Ų123.388%0.8879%0.793SS**  cis-122.3-158.611.7-63.8170.4000110.5
114S31.3Very low31.9Very low109 Ų109124.9 Ų124.976%0.76278%0.779SS**  cis-159.8-163.510.6-156.50000113.2
115N31.8Very low32Very low163 Ų163128.1 Ų128.187%0.87278%0.776SS**  trans-52.1150.9-177.2-77.45.1000118.1
116G30.9Very low31.9Very low81 Ų81127.5 Ų127.584%0.83576%0.763SS**  trans142.286.2142.600000118.4
117Q30.3Very low32Very low191 Ų191131.1 Ų131.189%0.89375%0.754SS**  trans-108.7167.5158.8-117.3-169.7-74.400109
118P50.2Low32.2Very low115 Ų115131.1 Ų131.175%0.74775%0.746SS**  cis-128.1168.5-15.539.6-25.5000113.4
119G26.9Very low32.4Very low82 Ų82132.8 Ų132.885%0.84575%0.747SS**  trans-176.9129.3168.300000114.8
120S33.6Very low32.2Very low115 Ų115133.7 Ų133.780%0.80476%0.756SS**  trans-128.5134161.9-177.60000105.9
121P39.7Very low32Very low126 Ų126130.5 Ų130.582%0.81876%0.758SS**  -143.217897.638.7-23.4000115.2
122C27.5Very low32.6Very low113 Ų113126 Ų12676%0.76475%0.748SS**  trans-63.3153.8173.5-170.40000113.3
123E25.9Very low32.6Very low136 Ų136130 Ų13064%0.63675%0.754SS**  -175.7140.6125.9-93.1-97.475.600112.6
124R29.3Very low32.4Very low164 Ų164132.1 Ų132.162%0.61975%0.752SS**  trans58.8112.1152.7-149.1153.1-80100.521.3119.3
125E28.6Very low32.3Very low138 Ų138132.6 Ų132.665%0.64576%0.755SS**  66.6139.777.7-134.6168.610.200112R127E125-R127 IonicContact OE2-NH1 3.08Å; E125-R127 PolarHBondContact OE2-NH1 2.83Å; E125-R127 VanDerWaalsContact OE2-NH1 3.08Å
126D29.8Very low32.1Very low107 Ų107128.5 Ų128.557%0.57275%0.751SS**  cis-151.6156.130.3-167.6-150.8000115
127R34.8Very low32.2Very low180 Ų180129.9 Ų129.968%0.67975%0.748SS**  trans23.7173.7151.7-76.8162.6-17492.4-6.8121.5E125E125-R127 IonicContact OE2-NH1 3.08Å; E125-R127 PolarHBondContact OE2-NH1 2.83Å; E125-R127 VanDerWaalsContact OE2-NH1 3.08Å
128A32.5Very low32.7Very low83 Ų83126.7 Ų126.769%0.68674%0.744SS**  cis-134.6139.2600000109.5
129C30.1Very low32.2Very low98 Ų98132.4 Ų132.466%0.66275%0.751SS**  71.614973.7-56.90000112.7
130L31Very low32.6Very low166 Ų166133.8 Ų133.887%0.86975%0.747SS**  cis-137160.226-72.5157.9000113.9
131T30.6Very low33.1Very low127 Ų127134.6 Ų134.678%0.77975%0.75SS**  trans-95.2-164.2161.857.40000109
132P49Very low32.8Very low96 Ų96134.1 Ų134.162%0.62375%0.748SS**  cis-129.7-171.2-15.335.4-15.4000112.9
133M29.9Very low33.2Very low172 Ų172133.9 Ų133.985%0.84775%0.748SS**  178.9176.3117.3-95.9-56.1174.800116.1
134Y27.1Very low33.6Very low212 Ų212137.1 Ų137.183%0.83176%0.763SS**  trans-84.6155.9-160.1-121.8-130000117
135S29.2Very low33.7Very low120 Ų120133.9 Ų133.984%0.83977%0.771SS**  trans64.7131.2142.1-159.90000121.1
136G28.4Very low34Very low76 Ų76132.8 Ų132.878%0.78478%0.779SS**  trans178.991.9169.200000113.4
137S32.6Very low34.4Very low110 Ų110133.7 Ų133.777%0.76979%0.791SS**  trans-109.7118.6175.8-178.10000110.7R139S137-R139 PolarHBondContact O-N 3.12Å
138P40.6Very low34.7Very low124 Ų124133 Ų13381%0.80580%0.795SS**PPolyproline II helixtrans-74.1116.7175.129.3-31.8000110.2
139R38.5Very low35.3Very low236 Ų236134 Ų13489%0.89179%0.794SS**PPolyproline II helixtrans-70150.6170.7-77.9-179.7169.6178.3-2.6110.9S137S137-R139 PolarHBondContact O-N 3.12Å
140S37Very low35.8Very low110 Ų110135 Ų13577%0.76980%0.8SS**PPolyproline II helixtrans-58142.1163.4-41.70000111.3
141P42.7Very low35.9Very low133 Ų133134 Ų13486%0.86480%0.795SS**PPolyproline II helixtrans-60.1145.2157.8-18.331.9000110
142C34.5Very low36.2Very low115 Ų115133.7 Ų133.778%0.77779%0.794SS**  trans-124.3139.5174.5-165.70000108.7
143S35.9Very low35.7Very low109 Ų109137.6 Ų137.676%0.76280%0.803SS**  trans47.2107.5166.7-58.40000118.6
144Q34.4Very low35.8Very low203 Ų203140.9 Ų140.995%0.94981%0.808SS**  trans-121.1163.3136.5-81.1-161.9-16.600109.8
145A31.4Very low36.1Very low96 Ų96140.1 Ų140.179%0.79380%0.803SS**PPolyproline II helixtrans-81.2159.1-157.200000114.8
146S34.1Very low36.1Very low115 Ų115140.2 Ų140.280%0.80479%0.791SS**PPolyproline II helixtrans-65.2138164-53.60000110.8
147P38.7Very low36.3Very low126 Ų126145.3 Ų145.382%0.81879%0.791SS**PPolyproline II helixtrans-63.7139159.9-18.932.6000110.7
148Q40.9Very low36.3Very low165 Ų165148 Ų14877%0.77180%0.796SS**PPolyproline II helixtrans-84.5141.8171.9-175.9-179.1-29.700109.6
149P44.2Very low36.3Very low104 Ų104147.5 Ų147.568%0.67580%0.796SS**PPolyproline II helixtrans-70.1151.9171.930.6-35.4000111.3
150P41.7Very low37Very low120 Ų120141.5 Ų141.578%0.77979%0.787SS**PPolyproline II helixtrans-79.3137.9-179.231.8-34.5000112.6
151D33.3Very low36.7Very low144 Ų144144 Ų14477%0.7779%0.788SS**PPolyproline II helixtrans-77.6133.6166.7-77.9-74.1000111.3
152T36Very low36.2Very low122 Ų122142.6 Ų142.675%0.74877%0.774SS**  trans-133.698.4166.457.20000111.8
153H38.3Very low36.7Very low177 Ų177142.7 Ų142.782%0.81977%0.773SS**  trans34.7101.4146.8-57.5-84.1000118.9
154Y32.6Very low36.5Very low242 Ų242144.2 Ų144.295%0.94977%0.768SS**  -138.1138.6120.3-134.6-93.4000110.1
155R33.2Very low36.5Very low195 Ų195146.9 Ų146.974%0.73677%0.769SS**  trans-135.9161.9-172.4179.4-177.4140.3134.911.1109.4
156E28.3Very low36.7Very low122 Ų122150.5 Ų150.557%0.5778%0.775SS**  trans97.9132.6160.1-132.579.9-129.800116.5
157K33.8Very low36.7Very low184 Ų184150.5 Ų150.580%0.877%0.774SS**  trans73.6122.5168.5-42.8-169.3-171.6-166.70113.8
158L33.3Very low37.3Very low166 Ų166150 Ų15087%0.86977%0.771SS**  cis-137.1166.217-66.9165.8000113
159S38.8Very low37Very low114 Ų114149.5 Ų149.580%0.79777%0.774SS**  trans-151.5-178171.5-46.30000107.7
160P53.7Low37.4Very low109 Ų109149.5 Ų149.571%0.70877%0.774SS**  cis-113.1-166.4-17.638.3-20.9000110.1
161M31.9Very low37Very low162 Ų162151.9 Ų151.980%0.79878%0.78SS**  cis-163.4-164.439.2-149.269.6138.900106
162D32.2Very low36.9Very low104 Ų104147.9 Ų147.956%0.55677%0.773SS**  cis-159.5142.62.6-15814.8000110.4H164D162-H164 IonicContact OD1-NE2 3.83Å; D162-H164 IonicContact OD2-CD2 3.62Å; D162-H164 IonicContact OD2-CE1 3.72Å; D162-H164 IonicContact OD2-NE2 2.75Å; D162-H164 PolarHBondContact OD2-NE2 3.06Å
163P44.1Very low36.7Very low117 Ų117150.7 Ų150.776%0.7678%0.783SS**  trans-119.8115.9-178.636.4-21.9000114.9
164H32.6Very low36.3Very low141 Ų141145.3 Ų145.365%0.65378%0.776SS**  trans-117.4103178.1-66.5-78.8000113.4D162D162-H164 IonicContact OD1-NE2 3.83Å; D162-H164 IonicContact OD2-CD2 3.62Å; D162-H164 IonicContact OD2-CE1 3.72Å; D162-H164 IonicContact OD2-NE2 2.75Å; D162-H164 PolarHBondContact OD2-NE2 3.06Å
165W33.6Very low36.2Very low259 Ų259138.5 Ų138.598%0.98177%0.77SS**  trans-142.8130.6155.2-81.5104.6000108.6
166L36.5Very low36.2Very low173 Ų173136.8 Ų136.891%0.90677%0.774SS**PPolyproline II helixtrans-94.6152-167.3-69.7167.5000113.3
167S32.5Very low36.4Very low114 Ų114135 Ų13580%0.79778%0.78SS**PPolyproline II helixtrans-76.2160.1175.2-67.20000113.4
168P51.2Low36.4Very low116 Ų116131.5 Ų131.575%0.75378%0.78SS**PPolyproline II helixtrans-91.7168.717638.8-36.9000113.3
169D35.8Very low36.2Very low155 Ų155127.8 Ų127.883%0.82977%0.773SS**  trans-164.5-177.2140.9-119.4-25.7000111.5
170P53.2Low35.7Very low104 Ų104128.5 Ų128.568%0.67578%0.778SS**  trans-133.1-179.1-132.544.8-26.3000117.1
171D33.4Very low34.5Very low169 Ų169126.9 Ų126.990%0.90478%0.78SS**  trans173.4157.9145.2-96.8-30000108.3
172G30.6Very low34.6Very low61 Ų61123.4 Ų123.463%0.62978%0.777SS**  cis172.8153.3-4.400000110.4
173N32Very low34.5Very low180 Ų180127.3 Ų127.396%0.96379%0.792SS**  trans64.1146.4-176.5-67.8-25.9000118
174G29.8Very low33.9Very low65 Ų65131 Ų13167%0.6780%0.8SS**  cis163.8157.7-10.600000114.1
175A30.6Very low33.8Very low99 Ų99130.9 Ų130.982%0.81880%0.799SS**  trans65.3152.4169.300000118.6
176L33.1Very low34.4Very low158 Ų158123.4 Ų123.483%0.82778%0.784SS**  cis-167.7140.1-24.9-136.4162.3000109.2
177A32.4Very low34Very low84 Ų84122 Ų12269%0.69477%0.773SS**  trans60.2173.9161.800000118.5
178S32.5Very low34Very low112 Ų112122.2 Ų122.278%0.78377%0.774SS**  -170.6151.6-50.3-880000109.4
179A30.3Very low34.6Very low88 Ų88122.3 Ų122.373%0.72778%0.775SS**  trans63114152.800000121.8
180S28.6Very low35.3Very low129 Ų129120.1 Ų120.190%0.90277%0.769SS**  67.3131.4121.6-52.10000123.7
181G27.8Very low34.3Very low74 Ų74122.4 Ų122.476%0.76377%0.774SS**  trans132.8141.5135.500000117.9
182A33.6Very low34.3Very low89 Ų89122 Ų12274%0.73677%0.772SS**  trans48121.7156.700000119.5
183E30.7Very low34.3Very low186 Ų186125.2 Ų125.287%0.86979%0.785SS**  68.4104.769.3-68.2-175.1110.600115.1
184E30.8Very low34.3Very low196 Ų196121.6 Ų121.692%0.91678%0.779SS**  177.3161.9119.4-95.5-166.481.300112.4
185E31.6Very low34.2Very low137 Ų137122 Ų12264%0.6478%0.783SS**  trans-103.7-157.6167.7-129.9-135.3114.300108.1H187E185-H187 IonicContact OE1-CE1 2.85Å; E185-H187 PolarHBondContact OE1-CE1 3.04Å; E185-H187 IonicContact OE1-CG 3.85Å; E185-H187 PolarHBondContact OE1-N 2.92Å; E185-H187 IonicContact OE1-ND1 2.63Å; E185-H187 PolarHBondContact OE1-ND1 3.26Å; E185-H187 IonicContact OE2-CE1 3.48Å; E185-H187 PolarHBondContact OE2-CE1 3.16Å; E185-H187 IonicContact OE2-ND1 2.78Å; E185-H187 PolarHBondContact OE2-ND1 3.45Å
186P45.3Very low35.4Very low102 Ų102123.2 Ų123.266%0.66278%0.783SS**  cis-137163.73.528-2.4000119.5
187H27.8Very low36.5Very low145 Ų145122 Ų12267%0.67178%0.784SS**  trans48.9115136.2-54.1-2.3000123.8E185E185-H187 IonicContact OE1-CE1 2.85Å; E185-H187 PolarHBondContact OE1-CE1 3.04Å; E185-H187 IonicContact OE1-CG 3.85Å; E185-H187 PolarHBondContact OE1-N 2.92Å; E185-H187 IonicContact OE1-ND1 2.63Å; E185-H187 PolarHBondContact OE1-ND1 3.26Å; E185-H187 IonicContact OE2-CE1 3.48Å; E185-H187 PolarHBondContact OE2-CE1 3.16Å; E185-H187 IonicContact OE2-ND1 2.78Å; E185-H187 PolarHBondContact OE2-ND1 3.45Å
188S33.4Very low36.4Very low117 Ų117121.5 Ų121.582%0.81879%0.788SS**  21.7165.6126-56.80000125.6
189P62.5Low37.4Very low119 Ų119122.1 Ų122.177%0.77379%0.789SS**  cis-120.1-100-10.931.1-7.3000113.2
190P51.6Low37.5Very low108 Ų108123 Ų12370%0.70179%0.79SS**  cis-130.6136.6-15.537.4-17.2000118.6
191L32Very low37.9Very low152 Ų152122.8 Ų122.880%0.79678%0.783SS**  trans50.6120.4137.8-55.3-179.3000126.6
192L33.8Very low38.2Very low161 Ų161124.4 Ų124.484%0.84378%0.783SS**  66126.1127.6-59.3174.2000124.8
193S29.4Very low38.8Very low129 Ų129126 Ų12690%0.90279%0.786SS**  trans-162.7178.2132.4-160.70000111.7
194A32.3Very low39.2Very low103 Ų103123.4 Ų123.485%0.85178%0.782SS**  trans-140.9164.3-163.700000116.4
195G28.4Very low39.7Very low73 Ų73119.9 Ų119.975%0.75378%0.777SS**  trans146129.9163.100000117.6
196P56.4Low40.1Very low125 Ų125119.4 Ų119.481%0.81279%0.788SS**  trans-112.4-162170.144.6-35.3000111.3
197P54.6Low39.6Very low132 Ų132118.6 Ų118.686%0.85779%0.79SS**  cis-129.1-176.2-14.941.3-25.1000114.6
198G31.7Very low39.8Very low74 Ų74117.7 Ų117.776%0.76380%0.8SS**  trans-175.3144.9167.800000115.5
199P53.4Low40Very low126 Ų126121.8 Ų121.882%0.81880%0.803SS**  trans-126.2154.2-17041.6-29.3000118.3
200S32.3Very low39Very low106 Ų106119.5 Ų119.574%0.74180%0.795SS**  trans-170.8119.9157.7-80.30000108.9
201T35.5Very low38.3Very low125 Ų125120.5 Ų120.577%0.76780%0.801SS**  52.5126.386.462.60000114
202S34.8Very low38.8Very low108 Ų108118.8 Ų118.876%0.75580%0.797SS**  cis-169.7-172.26.8-82.50000108.4
203P45.9Very low39.1Very low122 Ų122116.3 Ų116.379%0.79279%0.788SS**  cis-120.7-178.6-31.236.8-21.2000112.6
204V40.6Very low39.6Very low131 Ų131118 Ų11879%0.79479%0.786SS**  trans-131.3135.4168-1760000109.8
205P39.9Very low40.4Very low123 Ų123115.9 Ų115.980%0.79977%0.766SS**  trans-82.8116.2173.931.8-31.9000111.5
206S40.4Very low41.1Very low126 Ų126115.3 Ų115.388%0.88175%0.754SS**  trans-75.4125.6169.1-640000110.9
207A35.1Very low41.2Very low86 Ų86112.9 Ų112.971%0.71173%0.729SS**  trans-114.3137.9164.800000109.4F209A207-F209 PolarHBondContact O-N 3.17Å
208S32.4Very low40.9Very low125 Ų125113.5 Ų113.587%0.87473%0.732SS**  trans-68128.9-166.2-54.30000113.8A210S208-A210 PolarHBondContact O-N 3.25Å
209F36.8Very low41.9Very low203 Ų203111.5 Ų111.589%0.8971%0.712SS**  trans-7395.7168.6-68.4-81.5000111A207A207-F209 PolarHBondContact O-N 3.17Å
210A41.6Very low42.2Very low71 Ų71107.7 Ų107.759%0.58770%0.695SS**  trans-66.8151.1146.900000108.7S208 V212S208-A210 PolarHBondContact O-N 3.25Å; A210-V212 PolarHBondContact O-N 2.87Å
211P37.3Very low44.2Very low129 Ų129108.8 Ų108.884%0.83869%0.689SS**  trans-68.497.8178.528.1-34000110.2T213P211-T213 PolarHBondContact O-N 3.5Å; P211-T213 VanDerWaalsContact O-N 3.11Å
212V41.8Very low46.5Very low116 Ų116103.8 Ų103.870%0.70366%0.657SS**  trans-62.3112.9170.9176.10000107.9A210 L214A210-V212 PolarHBondContact O-N 2.87Å; V212-L214 PolarHBondContact O-N 3.49Å
213T41.2Very low49.1Very low109 Ų109102.2 Ų102.267%0.66964%0.64SS**  trans-62.3109.1166.939.80000108.1P211 S215P211-T213 PolarHBondContact O-N 3.5Å; P211-T213 VanDerWaalsContact O-N 3.11Å; T213-S215 VanDerWaalsContact C-N 3.26Å; T213-S215 PolarHBondContact O-N 3.03Å
214L39.3Very low51.1Low164 Ų164101.6 Ų101.686%0.85963%0.627SS**  trans-6880.8-176.7-75.8167.7000111V212 A216V212-L214 PolarHBondContact O-N 3.49Å; L214-A216 PolarHBondContact O-N 3.16Å
215S48.3Very low53.5Low60 Ų6099.9 Ų99.942%0.4261%0.61SS.*  trans-65.4127167.476.10000108.7T213 W217T213-S215 VanDerWaalsContact C-N 3.26Å; T213-S215 PolarHBondContact O-N 3.03Å; S215-W217 PolarHBondContact O-N 3.28Å
216A44.4Very low55.9Low61 Ų6194.9 Ų94.950%0.50458%0.578SS.*SBendtrans-72.420.5-171.700000114.7L214L214-A216 PolarHBondContact O-N 3.16Å
217W58.4Low58.4Low74 Ų7489.9 Ų89.928%0.2854%0.544SS..  trans-130.6109.6-157.8-53.4133.4000113.5S215 G219 R281 L285S215-W217 PolarHBondContact O-N 3.28Å; W217-G219 VanDerWaalsContact C-N 3.33Å; W217-G219 PolarHBondContact O-N 2.97Å; W217-R281 HydrophobicContact CH2-CB 3.77Å; W217-R281 HydrophobicContact CZ2-CB 3.74Å; W217-R281 HydrophobicContact CZ2-CG 4.2Å; W217-L285 HydrophobicContact CH2-CD2 3.68Å; W217-L285 HydrophobicContact CH2-CG 4.13Å; W217-L285 HydrophobicContact CZ2-CD2 4.48Å; W217-L285 HydrophobicContact CZ3-CD1 4.1Å; W217-L285 HydrophobicContact CZ3-CD2 3.74Å; W217-L285 HydrophobicContact CZ3-CG 4.15Å
218P47.3Very low61.2Low144 Ų14492.2 Ų92.294%0.93553%0.534SS*.SBendtrans-69.485.4166.9-20.234.2000111.8
219G52.4Low64.1Low32 Ų3287.2 Ų87.233%0.3350%0.501SS..SBendtrans12610116700000114.9W217W217-G219 VanDerWaalsContact C-N 3.33Å; W217-G219 PolarHBondContact O-N 2.97Å
220G60.9Low66.9Low46 Ų4677.6 Ų77.647%0.47446%0.458SS..  trans8098.4168.400000114.3L305G220-L305 WeakPolarHBondContact O-CD1 3.47Å; G220-L305 WeakPolarHBondContact O-CD2 3.44Å
221Q73.9Confident69.5Low129 Ų12976.1 Ų76.160%0.60344%0.442SS*.PPolyproline II helixtrans-69.6141.5160.8-164.9177-14.200108.6
222L84.5Confident72.2Confident20 Ų2074.9 Ų74.911%0.10543%0.425CS..PPolyproline II helixtrans-65.1146.9165.9-74.6172.4000109.4T226 A227 L305 I306 E309L222-T226 HydrophobicContact CD2-CG2 4.33Å; L222-A227 HydrophobicContact CB-CB 4.47Å; L222-L305 HydrophobicContact CD2-CB 3.61Å; L222-L305 HydrophobicContact CD2-CD1 4.48Å; L222-L305 HydrophobicContact CG-CB 4.01Å; L222-I306 HydrophobicContact CD1-CG1 4.44Å; L222-I306 HydrophobicContact CD2-CG1 3.86Å; L222-E309 HydrophobicContact CD1-CB 3.73Å; L222-E309 HydrophobicContact CD1-CG 4.19Å
223D88.9Confident74.8Confident75 Ų7569.7 Ų69.740%0.40139%0.394SS..PPolyproline II helixtrans-59.5142.1167.858.7-75.4000110.3E225 T226 A227 H302D223-E225 PolarHBondContact O-N 2.8Å; D223-E225 VanDerWaalsContact O-N 3.14Å; D223-T226 VanDerWaalsContact CG-CB 3.48Å; D223-T226 VanDerWaalsContact CG-OG1 3.23Å; D223-T226 PolarHBondContact O-N 3.48Å; D223-T226 VanDerWaalsContact O-N 3.1Å; D223-T226 VanDerWaalsContact OD1-CB 3.28Å; D223-T226 WeakPolarHBondContact OD1-CB 3.44Å; D223-T226 PolarHBondContact OD1-OG1 2.91Å; D223-T226 VanDerWaalsContact OD1-OG1 3.07Å; D223-T226 WeakPolarHBondContact OD2-CB 3.33Å; D223-T226 PolarHBondContact OD2-N 2.8Å; D223-T226 PolarHBondContact OD2-OG1 3.26Å; D223-A227 PolarHBondContact O-N 2.99Å; D223-H302 IonicContact OD1-CE1 3.89Å; D223-H302 PolarHBondContact OD1-CE1 3.36Å
224E88.6Confident77.5Confident110 Ų11064.5 Ų64.551%0.51436%0.362SS..Hα-helixtrans-62.1-25.7-171.4-175.638-125.800111.9R228E224-R228 VanDerWaalsContact C-NH2 3.28Å; E224-R228 WeakPolarHBondContact O-CG 3.35Å; E224-R228 VanDerWaalsContact O-CZ 3.23Å; E224-R228 PolarHBondContact O-N 2.81Å; E224-R228 PolarHBondContact O-NE 2.8Å; E224-R228 PolarHBondContact O-NH2 3.41Å; E224-R228 WeakPolarHBondContact OE1-CD 3.43Å; E224-R228 WeakPolarHBondContact OE1-CG 3.42Å; E224-R228 IonicContact OE1-CZ 3.17Å; E224-R228 IonicContact OE1-NE 2.76Å; E224-R228 PolarHBondContact OE1-NE 3.06Å
225E89.9Confident80.2Confident94 Ų9460.1 Ų60.144%0.43934%0.337SS..Hα-helixtrans-72.8-47.9173.2-170.2-179.3160.600112.5D223 A227 R228 A229 K346D223-E225 PolarHBondContact O-N 2.8Å; D223-E225 VanDerWaalsContact O-N 3.14Å; E225-A227 VanDerWaalsContact C-N 3.32Å; E225-A227 PolarHBondContact O-N 2.84Å; E225-R228 PolarHBondContact O-N 3.1Å; E225-A229 WeakPolarHBondContact O-CB 3.19Å; E225-A229 PolarHBondContact O-N 3.14Å; E225-K346 WeakPolarHBondContact OE1-CD 3.32Å; E225-K346 IonicContact OE1-NZ 2.79Å; E225-K346 PolarHBondContact OE1-NZ 3.49Å
226T90.9Very high82.4Confident19 Ų1963.2 Ų63.212%0.11734%0.34CS..Hα-helixtrans-63.8-38.5175.8-64.40000111.2L222 D223 A229 V230 I306L222-T226 HydrophobicContact CD2-CG2 4.33Å; D223-T226 VanDerWaalsContact CG-CB 3.48Å; D223-T226 VanDerWaalsContact CG-OG1 3.23Å; D223-T226 PolarHBondContact O-N 3.48Å; D223-T226 VanDerWaalsContact O-N 3.1Å; D223-T226 VanDerWaalsContact OD1-CB 3.28Å; D223-T226 WeakPolarHBondContact OD1-CB 3.44Å; D223-T226 PolarHBondContact OD1-OG1 2.91Å; D223-T226 VanDerWaalsContact OD1-OG1 3.07Å; D223-T226 WeakPolarHBondContact OD2-CB 3.33Å; D223-T226 PolarHBondContact OD2-N 2.8Å; D223-T226 PolarHBondContact OD2-OG1 3.26Å; T226-A229 PolarHBondContact O-N 3.45Å; T226-V230 HydrophobicContact CG2-CG2 4.37Å; T226-V230 WeakPolarHBondContact O-CB 3.26Å; T226-V230 VanDerWaalsContact O-CG2 3.29Å; T226-V230 WeakPolarHBondContact O-CG2 3.38Å; T226-V230 PolarHBondContact O-N 3.17Å; T226-I306 HydrophobicContact CG2-CD1 3.82Å; T226-I306 HydrophobicContact CG2-CG1 3.69Å
227A92.5Very high84.7Confident21 Ų2161 Ų6117%0.17432%0.319CS..Hα-helixtrans-56.8-52.2172.900000111.2L222 D223 E225 A229 V230 V231L222-A227 HydrophobicContact CB-CB 4.47Å; D223-A227 PolarHBondContact O-N 2.99Å; E225-A227 VanDerWaalsContact C-N 3.32Å; E225-A227 PolarHBondContact O-N 2.84Å; A227-A229 PolarHBondContact O-N 3.09Å; A227-V230 WeakPolarHBondContact O-CB 3.33Å; A227-V230 PolarHBondContact O-N 3.15Å; A227-V231 WeakPolarHBondContact O-CG2 3.35Å; A227-V231 PolarHBondContact O-N 3.2Å
228R93.3Very high86.4Confident135 Ų13559.7 Ų59.751%0.50932%0.315SS..Hα-helixtrans-59.3-42.6174.5-78.8176.1-82.2115.5-2.6112.8E224 E225 V230 V231 E232E224-R228 VanDerWaalsContact C-NH2 3.28Å; E224-R228 WeakPolarHBondContact O-CG 3.35Å; E224-R228 VanDerWaalsContact O-CZ 3.23Å; E224-R228 PolarHBondContact O-N 2.81Å; E224-R228 PolarHBondContact O-NE 2.8Å; E224-R228 PolarHBondContact O-NH2 3.41Å; E224-R228 WeakPolarHBondContact OE1-CD 3.43Å; E224-R228 WeakPolarHBondContact OE1-CG 3.42Å; E224-R228 IonicContact OE1-CZ 3.17Å; E224-R228 IonicContact OE1-NE 2.76Å; E224-R228 PolarHBondContact OE1-NE 3.06Å; E225-R228 PolarHBondContact O-N 3.1Å; R228-V230 VanDerWaalsContact C-N 3.31Å; R228-V230 PolarHBondContact O-N 2.95Å; R228-V231 PolarHBondContact O-N 2.79Å; R228-E232 WeakPolarHBondContact O-CB 3.47Å; R228-E232 PolarHBondContact O-N 2.93Å
229A93.5Very high88.5Confident20 Ų2062.5 Ų62.517%0.16531%0.307CS..Hα-helixtrans-65.8-30.8177.400000113.2E225 T226 A227 S233E225-A229 WeakPolarHBondContact O-CB 3.19Å; E225-A229 PolarHBondContact O-N 3.14Å; T226-A229 PolarHBondContact O-N 3.45Å; A227-A229 PolarHBondContact O-N 3.09Å; A229-S233 WeakPolarHBondContact O-CB 3.5Å; A229-S233 PolarHBondContact O-N 3.2Å; A229-S233 PolarHBondContact O-OG 3.27Å
230V96.3Very high90.4Very high0 Ų066 Ų660%032%0.322CS..Hα-helixtrans-67.6-51.5171.8164.90000110.4T226 A227 R228 E232 S233 V234 I306 E309 A310 V335 C339T226-V230 HydrophobicContact CG2-CG2 4.37Å; T226-V230 WeakPolarHBondContact O-CB 3.26Å; T226-V230 VanDerWaalsContact O-CG2 3.29Å; T226-V230 WeakPolarHBondContact O-CG2 3.38Å; T226-V230 PolarHBondContact O-N 3.17Å; A227-V230 WeakPolarHBondContact O-CB 3.33Å; A227-V230 PolarHBondContact O-N 3.15Å; R228-V230 VanDerWaalsContact C-N 3.31Å; R228-V230 PolarHBondContact O-N 2.95Å; V230-E232 PolarHBondContact O-N 2.77Å; V230-S233 PolarHBondContact O-N 3.46Å; V230-S233 VanDerWaalsContact O-N 3.15Å; V230-V234 HydrophobicContact CG1-CG2 4.34Å; V230-V234 WeakPolarHBondContact O-CB 3.5Å; V230-V234 VanDerWaalsContact O-CG2 3.3Å; V230-V234 WeakPolarHBondContact O-CG2 3.08Å; V230-V234 PolarHBondContact O-N 3.07Å; V230-I306 HydrophobicContact CG2-CG2 3.75Å; V230-E309 HydrophobicContact CG1-CB 4.44Å; V230-E309 HydrophobicContact CG1-CG 4.07Å; V230-A310 HydrophobicContact CG1-CB 3.93Å; V230-V335 HydrophobicContact CB-CG1 4.42Å; V230-V335 HydrophobicContact CG1-CG1 4.14Å; V230-V335 HydrophobicContact CG2-CG1 4.27Å; V230-C339 VanDerWaalsContact CG2-SG 3.56Å
231V95.5Very high91.5Very high41 Ų4166 Ų6625%0.24831%0.31CS..Hα-helixtrans-56.3-50.6178.31790000110.6A227 R228 S233 V234 E235 Q313A227-V231 WeakPolarHBondContact O-CG2 3.35Å; A227-V231 PolarHBondContact O-N 3.2Å; R228-V231 PolarHBondContact O-N 2.79Å; V231-S233 VanDerWaalsContact C-N 3.27Å; V231-S233 PolarHBondContact O-N 2.89Å; V231-V234 WeakPolarHBondContact O-CB 3.38Å; V231-V234 PolarHBondContact O-N 3.07Å; V231-V234 VanDerWaalsContact O-N 3.16Å; V231-E235 WeakPolarHBondContact O-CG 3.35Å; V231-E235 PolarHBondContact O-N 3.01Å; V231-Q313 HydrophobicContact CG2-CG 4.24Å
232E95.1Very high92.1Very high103 Ų10365.1 Ų65.148%0.48132%0.316SS..Hα-helixtrans-66.2-28.1-179.2-158.7-146.8-166.600112.6R228 V230 R236R228-E232 WeakPolarHBondContact O-CB 3.47Å; R228-E232 PolarHBondContact O-N 2.93Å; V230-E232 PolarHBondContact O-N 2.77Å; E232-R236 WeakPolarHBondContact O-CG 3.31Å; E232-R236 PolarHBondContact O-N 3Å; E232-R236 PolarHBondContact O-NH1 3.44Å; E232-R236 IonicContact OE1-CZ 2.71Å; E232-R236 IonicContact OE1-NH1 3.13Å; E232-R236 IonicContact OE1-NH2 2.71Å; E232-R236 PolarHBondContact OE1-NH2 2.95Å; E232-R236 IonicContact OE2-CZ 3.55Å; E232-R236 IonicContact OE2-NH1 3.77Å; E232-R236 PolarHBondContact OE2-NH1 3.39Å; E232-R236 IonicContact OE2-NH2 3.39Å; E232-R236 PolarHBondContact OE2-NH2 2.99Å
233S96Very high92Very high7 Ų774.4 Ų74.45%0.04935%0.35CS..Hα-helixtrans-76.4-36.2172.9-70.40000113A229 V230 V231 L237A229-S233 WeakPolarHBondContact O-CB 3.5Å; A229-S233 PolarHBondContact O-N 3.2Å; A229-S233 PolarHBondContact O-OG 3.27Å; V230-S233 PolarHBondContact O-N 3.46Å; V230-S233 VanDerWaalsContact O-N 3.15Å; V231-S233 VanDerWaalsContact C-N 3.27Å; V231-S233 PolarHBondContact O-N 2.89Å; S233-L237 PolarHBondContact O-N 2.93Å
234V97.2Very high91.8Very high0 Ų072 Ų720%034%0.338CS..Hα-helixtrans-64.2-48.4173.4165.30000109.8V230 V231 R236 L237 Y238 A310 Q313 F314 V335V230-V234 HydrophobicContact CG1-CG2 4.34Å; V230-V234 WeakPolarHBondContact O-CB 3.5Å; V230-V234 VanDerWaalsContact O-CG2 3.3Å; V230-V234 WeakPolarHBondContact O-CG2 3.08Å; V230-V234 PolarHBondContact O-N 3.07Å; V231-V234 WeakPolarHBondContact O-CB 3.38Å; V231-V234 PolarHBondContact O-N 3.07Å; V231-V234 VanDerWaalsContact O-N 3.16Å; V234-R236 PolarHBondContact O-N 3Å; V234-L237 PolarHBondContact O-N 3.45Å; V234-Y238 VanDerWaalsContact O-CB 3.28Å; V234-Y238 WeakPolarHBondContact O-CB 3.43Å; V234-Y238 PolarHBondContact O-N 2.89Å; V234-A310 HydrophobicContact CG2-CB 4.31Å; V234-Q313 HydrophobicContact CB-CB 4.26Å; V234-Q313 HydrophobicContact CG1-CB 3.97Å; V234-Q313 HydrophobicContact CG2-CB 3.89Å; V234-F314 HydrophobicContact CB-CE1 4.34Å; V234-F314 HydrophobicContact CB-CZ 4.17Å; V234-F314 HydrophobicContact CG1-CD1 3.84Å; V234-F314 HydrophobicContact CG1-CE1 3.74Å; V234-F314 HydrophobicContact CG1-CE2 4.49Å; V234-F314 HydrophobicContact CG1-CG 4.23Å; V234-F314 HydrophobicContact CG1-CZ 4.04Å; V234-F314 HydrophobicContact CG2-CD2 4.23Å; V234-F314 HydrophobicContact CG2-CE1 4.43Å; V234-F314 HydrophobicContact CG2-CE2 3.81Å; V234-F314 HydrophobicContact CG2-CZ 3.89Å; V234-V335 HydrophobicContact CG2-CG1 4.32Å; V234-V335 HydrophobicContact CG2-CG2 3.89Å
235E95.3Very high91.7Very high72 Ų7270.5 Ų70.534%0.33633%0.334SS..Hα-helixtrans-63.3-45.3-178.5-71.1-160.1170.200113.2V231 L237 Y238 R239 R317V231-E235 WeakPolarHBondContact O-CG 3.35Å; V231-E235 PolarHBondContact O-N 3.01Å; E235-L237 VanDerWaalsContact C-N 3.25Å; E235-L237 PolarHBondContact O-N 3.3Å; E235-Y238 PolarHBondContact O-N 2.95Å; E235-R239 WeakPolarHBondContact O-CG 3.49Å; E235-R239 PolarHBondContact O-N 3.35Å; E235-R239 IonicContact OE2-NH2 3.99Å; E235-R317 IonicContact OE1-CZ 3.48Å; E235-R317 IonicContact OE1-NE 3.86Å; E235-R317 IonicContact OE1-NH2 2.65Å; E235-R317 PolarHBondContact OE1-NH2 3.11Å
236R94.9Very high91.5Very high125 Ų12570.2 Ų70.247%0.47234%0.341SS..Hα-helixtrans-59-37.7174.7-72.7-173.7-162.997.3-19.1112.2E232 V234E232-R236 WeakPolarHBondContact O-CG 3.31Å; E232-R236 PolarHBondContact O-N 3Å; E232-R236 PolarHBondContact O-NH1 3.44Å; E232-R236 IonicContact OE1-CZ 2.71Å; E232-R236 IonicContact OE1-NH1 3.13Å; E232-R236 IonicContact OE1-NH2 2.71Å; E232-R236 PolarHBondContact OE1-NH2 2.95Å; E232-R236 IonicContact OE2-CZ 3.55Å; E232-R236 IonicContact OE2-NH1 3.77Å; E232-R236 PolarHBondContact OE2-NH1 3.39Å; E232-R236 IonicContact OE2-NH2 3.39Å; E232-R236 PolarHBondContact OE2-NH2 2.99Å; V234-R236 PolarHBondContact O-N 3Å
237L94.1Very high91.4Very high13 Ų1373.2 Ų73.27%0.06836%0.359CS..Hα-helixtrans-74.4-44.6177.7-166.765.9000111.3S233 V234 E235 R239 T240 L241 F314 L331 Q334S233-L237 PolarHBondContact O-N 2.93Å; V234-L237 PolarHBondContact O-N 3.45Å; E235-L237 VanDerWaalsContact C-N 3.25Å; E235-L237 PolarHBondContact O-N 3.3Å; L237-R239 VanDerWaalsContact C-N 3.29Å; L237-R239 PolarHBondContact O-N 3.15Å; L237-T240 WeakPolarHBondContact O-CA 3.4Å; L237-T240 PolarHBondContact O-N 2.93Å; L237-T240 PolarHBondContact O-OG1 2.91Å; L237-L241 PolarHBondContact O-N 3.18Å; L237-F314 HydrophobicContact CB-CE1 4.46Å; L237-F314 HydrophobicContact CB-CZ 4.25Å; L237-F314 HydrophobicContact CD2-CE1 4.36Å; L237-F314 HydrophobicContact CD2-CZ 3.74Å; L237-F314 HydrophobicContact CG-CZ 4.43Å; L237-L331 HydrophobicContact CD2-CB 4.43Å; L237-L331 HydrophobicContact CD2-CD2 3.75Å; L237-L331 HydrophobicContact CG-CD2 4.48Å; L237-Q334 HydrophobicContact CD2-CB 4.45Å; L237-Q334 HydrophobicContact CD2-CG 4.5Å
238Y93.3Very high91.2Very high47 Ų4776 Ų7618%0.18437%0.368CS..Hα-helixtrans-61.2-34.6-178.2-171.2-109.6000112.8V234 E235 T240 L241 F314 R317 D318V234-Y238 VanDerWaalsContact O-CB 3.28Å; V234-Y238 WeakPolarHBondContact O-CB 3.43Å; V234-Y238 PolarHBondContact O-N 2.89Å; E235-Y238 PolarHBondContact O-N 2.95Å; Y238-T240 PolarHBondContact O-N 3.41Å; Y238-T240 VanDerWaalsContact O-N 3.08Å; Y238-L241 HydrophobicContact CD2-CD1 4.2Å; Y238-L241 PolarHBondContact O-N 3.33Å; Y238-L241 VanDerWaalsContact O-N 3.13Å; Y238-F314 HydrophobicContact CD2-CD1 4.47Å; Y238-R317 HydrophobicContact CD1-CB 4.09Å; Y238-R317 HydrophobicContact CD2-CB 4.34Å; Y238-R317 HydrophobicContact CE1-CB 3.81Å; Y238-R317 HydrophobicContact CE2-CB 4.12Å; Y238-R317 HydrophobicContact CG-CB 4.35Å; Y238-R317 PolarHBondContact OH-O 3.45Å; Y238-D318 HydrophobicContact CE2-CB 3.92Å
239R92.4Very high91.1Very high204 Ų20470.3 Ų70.377%0.7735%0.349SS*.THydrogen-bonded Turntrans-60.2-14.4171-71.1176.5-164.7-1566.3114.4E235 L237E235-R239 WeakPolarHBondContact O-CG 3.49Å; E235-R239 PolarHBondContact O-N 3.35Å; E235-R239 IonicContact OE2-NH2 3.99Å; L237-R239 VanDerWaalsContact C-N 3.29Å; L237-R239 PolarHBondContact O-N 3.15Å
240T90.8Very high90.9Very high106 Ų10676.4 Ų76.465%0.6537%0.371SS*.THydrogen-bonded Turntrans-108.4-0.5178.264.70000114L237 Y238L237-T240 WeakPolarHBondContact O-CA 3.4Å; L237-T240 PolarHBondContact O-N 2.93Å; L237-T240 PolarHBondContact O-OG1 2.91Å; Y238-T240 PolarHBondContact O-N 3.41Å; Y238-T240 VanDerWaalsContact O-N 3.08Å
241L85.3Confident90.7Very high44 Ų4478.6 Ų78.623%0.2339%0.385CS..SBendtrans-92.4144.6179.9-64.6177.6000111.8L237 Y238 F314 L331L237-L241 PolarHBondContact O-N 3.18Å; Y238-L241 HydrophobicContact CD2-CD1 4.2Å; Y238-L241 PolarHBondContact O-N 3.33Å; Y238-L241 VanDerWaalsContact O-N 3.13Å; L241-F314 HydrophobicContact CD1-CE1 4.32Å; L241-L331 HydrophobicContact CD1-CD1 3.72Å; L241-L331 HydrophobicContact CD1-CD2 3.95Å; L241-L331 HydrophobicContact CD1-CG 4.49Å; L241-L331 HydrophobicContact CD2-CD2 3.9Å
242P85.3Confident90.4Very high112 Ų11279.1 Ų79.173%0.72739%0.386SS*.PPolyproline II helixtrans-57.4140.3163.6-21.333.3000110.9
243R82.3Confident90.2Very high215 Ų21575.6 Ų75.681%0.81137%0.37SS*.PPolyproline II helixtrans-79138172.3-66.8-177.9176.8-132.31.9110
244S84.9Confident90Very high23 Ų2384.6 Ų84.616%0.16140%0.403CS..PPolyproline II helixtrans-62.9136.3173.4-61.30000112.5D318 A320 R324S244-D318 WeakPolarHBondContact CB-OD2 3.32Å; S244-D318 VanDerWaalsContact OG-CG 3.31Å; S244-D318 PolarHBondContact OG-OD1 2.92Å; S244-D318 PolarHBondContact OG-OD2 3.28Å; S244-A320 WeakPolarHBondContact OG-CB 3.36Å; S244-R324 PolarHBondContact OG-NH2 2.93Å
245D86.6Confident89.7Confident80 Ų8091.7 Ų91.743%0.42844%0.438SS..PPolyproline II helixtrans-78.3127.6169173.110.9000110.2T247 E248 V249D245-T247 PolarHBondContact O-N 3Å; D245-T247 WeakPolarHBondContact OD1-CB 3.42Å; D245-T247 PolarHBondContact OD1-N 3.18Å; D245-T247 PolarHBondContact OD1-OG1 3.32Å; D245-T247 WeakPolarHBondContact OD2-CB 3.41Å; D245-T247 PolarHBondContact OD2-OG1 3.43Å; D245-E248 HydrophobicContact CB-CB 4.24Å; D245-E248 WeakPolarHBondContact O-CB 3.38Å; D245-E248 PolarHBondContact O-N 2.94Å; D245-V249 PolarHBondContact O-N 2.83Å; D245-V249 VanDerWaalsContact O-N 3.08Å
246P86.9Confident89.5Confident88 Ų8892 Ų9257%0.57144%0.442SS*.Hα-helixtrans-50.3-26.2169.6-28.736.4000115K250P246-K250 WeakPolarHBondContact O-CB 3.2Å; P246-K250 WeakPolarHBondContact O-CD 3.37Å; P246-K250 VanDerWaalsContact O-CG 3.24Å; P246-K250 WeakPolarHBondContact O-CG 3.49Å; P246-K250 PolarHBondContact O-N 3.34Å
247T88.1Confident89.5Confident82 Ų8293.8 Ų93.850%0.50345%0.453SS..Hα-helixtrans-74.2-39.4176.3-36.50000112.2D245 T251D245-T247 PolarHBondContact O-N 3Å; D245-T247 WeakPolarHBondContact OD1-CB 3.42Å; D245-T247 PolarHBondContact OD1-N 3.18Å; D245-T247 PolarHBondContact OD1-OG1 3.32Å; D245-T247 WeakPolarHBondContact OD2-CB 3.41Å; D245-T247 PolarHBondContact OD2-OG1 3.43Å; T247-T251 WeakPolarHBondContact O-CB 3.44Å; T247-T251 PolarHBondContact O-N 3.48Å; T247-T251 PolarHBondContact O-OG1 3.35Å
248E88.3Confident89.4Confident78 Ų78100.2 Ų100.236%0.36448%0.481SS..Hα-helixtrans-61.8-48.3170.7-169.1-161.1159.400109.9D245 K250 T251 L252D245-E248 HydrophobicContact CB-CB 4.24Å; D245-E248 WeakPolarHBondContact O-CB 3.38Å; D245-E248 PolarHBondContact O-N 2.94Å; E248-K250 PolarHBondContact O-N 2.98Å; E248-T251 CarbonylContact O-C 3.56Å; E248-T251 WeakPolarHBondContact O-CA 3.34Å; E248-T251 WeakPolarHBondContact O-CB 3.21Å; E248-T251 PolarHBondContact O-N 3.17Å; E248-L252 HydrophobicContact CG-CD1 4.12Å; E248-L252 HydrophobicContact CG-CG 4.35Å; E248-L252 WeakPolarHBondContact O-CG 3.46Å; E248-L252 PolarHBondContact O-N 3.34Å
249V90.4Very high89.2Confident17 Ų17100.2 Ų100.210%0.10348%0.483CS..Hα-helixtrans-57.1-47.4178.51760000111.7D245 T251 L252 L253 F267 A320 L323D245-V249 PolarHBondContact O-N 2.83Å; D245-V249 VanDerWaalsContact O-N 3.08Å; V249-T251 VanDerWaalsContact C-N 3.27Å; V249-T251 PolarHBondContact O-N 2.85Å; V249-L252 PolarHBondContact O-N 3.47Å; V249-L253 HydrophobicContact CG1-CD1 3.95Å; V249-L253 WeakPolarHBondContact O-CB 3.27Å; V249-L253 VanDerWaalsContact O-CG 3.27Å; V249-L253 WeakPolarHBondContact O-CG 3.19Å; V249-L253 PolarHBondContact O-N 3.47Å; V249-F267 HydrophobicContact CG1-CD1 3.55Å; V249-F267 HydrophobicContact CG1-CE1 3.44Å; V249-F267 VanDerWaalsContact CG1-CE1 3.44Å; V249-F267 HydrophobicContact CG1-CG 4.39Å; V249-F267 HydrophobicContact CG1-CZ 4.22Å; V249-A320 HydrophobicContact CG2-CB 3.57Å; V249-L323 HydrophobicContact CG1-CD1 4.27Å
250K90.3Very high89.3Confident147 Ų14792.1 Ų92.164%0.63946%0.46SS*.Hα-helixtrans-58.5-38.7173.9-75.2167.6-176.5175.10112P246 E248 R254P246-K250 WeakPolarHBondContact O-CB 3.2Å; P246-K250 WeakPolarHBondContact O-CD 3.37Å; P246-K250 VanDerWaalsContact O-CG 3.24Å; P246-K250 WeakPolarHBondContact O-CG 3.49Å; P246-K250 PolarHBondContact O-N 3.34Å; E248-K250 PolarHBondContact O-N 2.98Å; K250-R254 WeakPolarHBondContact O-CB 3.3Å; K250-R254 PolarHBondContact O-N 3.39Å
251T91.2Very high89.4Confident47 Ų4795.2 Ų95.229%0.28846%0.464SS..Hα-helixtrans-70.7-45.7180-61.60000111.9T247 E248 V249 L253 R254 M255T247-T251 WeakPolarHBondContact O-CB 3.44Å; T247-T251 PolarHBondContact O-N 3.48Å; T247-T251 PolarHBondContact O-OG1 3.35Å; E248-T251 CarbonylContact O-C 3.56Å; E248-T251 WeakPolarHBondContact O-CA 3.34Å; E248-T251 WeakPolarHBondContact O-CB 3.21Å; E248-T251 PolarHBondContact O-N 3.17Å; V249-T251 VanDerWaalsContact C-N 3.27Å; V249-T251 PolarHBondContact O-N 2.85Å; T251-L253 PolarHBondContact O-N 3.01Å; T251-R254 PolarHBondContact O-N 2.95Å; T251-M255 HydrophobicContact CG2-SD 3.86Å; T251-M255 WeakPolarHBondContact O-CG 3.12Å; T251-M255 PolarHBondContact O-N 2.64Å
252L89.1Confident89.8Confident52 Ų5295.1 Ų95.127%0.27247%0.466SS..Hα-helixtrans-60-42.5175-70.2173000111.9E248 V249 N256 L323 R324E248-L252 HydrophobicContact CG-CD1 4.12Å; E248-L252 HydrophobicContact CG-CG 4.35Å; E248-L252 WeakPolarHBondContact O-CG 3.46Å; E248-L252 PolarHBondContact O-N 3.34Å; V249-L252 PolarHBondContact O-N 3.47Å; L252-N256 WeakPolarHBondContact O-CB 3.35Å; L252-N256 PolarHBondContact O-N 3.32Å; L252-L323 HydrophobicContact CB-CD1 3.81Å; L252-L323 HydrophobicContact CD1-CB 4.31Å; L252-L323 HydrophobicContact CD1-CD1 4.3Å; L252-R324 HydrophobicContact CD1-CG 4.22Å
253L91.8Very high90.2Very high28 Ų2890 Ų9015%0.14743%0.432CS..Hα-helixtrans-63.8-44.5174.1-70.5167.5000111.7V249 T251 M255 N256 A260 F267 L323V249-L253 HydrophobicContact CG1-CD1 3.95Å; V249-L253 WeakPolarHBondContact O-CB 3.27Å; V249-L253 VanDerWaalsContact O-CG 3.27Å; V249-L253 WeakPolarHBondContact O-CG 3.19Å; V249-L253 PolarHBondContact O-N 3.47Å; T251-L253 PolarHBondContact O-N 3.01Å; L253-M255 PolarHBondContact O-N 3.09Å; L253-N256 CarbonylContact O-C 3.58Å; L253-N256 PolarHBondContact O-N 3.37Å; L253-A260 HydrophobicContact CB-CB 4.15Å; L253-A260 HydrophobicContact CD2-CB 4.01Å; L253-A260 VanDerWaalsContact O-CB 3.31Å; L253-A260 WeakPolarHBondContact O-CB 3.22Å; L253-F267 HydrophobicContact CD1-CD2 4.16Å; L253-F267 HydrophobicContact CD1-CG 4.22Å; L253-F267 HydrophobicContact CD2-CD2 4.28Å; L253-F267 HydrophobicContact CD2-CE2 4.21Å; L253-L323 HydrophobicContact CD2-CD1 4.04Å; L253-L323 HydrophobicContact CD2-CD2 3.88Å; L253-L323 HydrophobicContact CG-CD1 3.91Å
254R91.8Very high90.7Very high196 Ų19680 Ų8074%0.7440%0.396SS*.Hα-helixtrans-61.8-42.1177.6-179.7175.562.3177.4-3.3112.3K250 T251K250-R254 WeakPolarHBondContact O-CB 3.3Å; K250-R254 PolarHBondContact O-N 3.39Å; T251-R254 PolarHBondContact O-N 2.95Å
255M91.6Very high91.1Very high149 Ų14981.3 Ų81.373%0.73440%0.399SS*.Hα-helixtrans-71.4-44.1178-69.5171.568.600111.7T251 L253 K257T251-M255 HydrophobicContact CG2-SD 3.86Å; T251-M255 WeakPolarHBondContact O-CG 3.12Å; T251-M255 PolarHBondContact O-N 2.64Å; L253-M255 PolarHBondContact O-N 3.09Å; M255-K257 PolarHBondContact O-N 2.94Å
256N91.2Very high91.5Very high78 Ų7877.5 Ų77.542%0.41738%0.379SS..  trans-98.474.7-177.6-162.2-34.2000111.9L252 L253 K258 M259 A260L252-N256 WeakPolarHBondContact O-CB 3.35Å; L252-N256 PolarHBondContact O-N 3.32Å; L253-N256 CarbonylContact O-C 3.58Å; L253-N256 PolarHBondContact O-N 3.37Å; N256-K258 PolarHBondContact O-N 3.16Å; N256-K258 PolarHBondContact OD1-N 2.75Å; N256-M259 HydrophobicContact CB-CB 4.15Å; N256-M259 HydrophobicContact CB-CG 4.32Å; N256-M259 VanDerWaalsContact CG-CG 3.46Å; N256-M259 WeakPolarHBondContact ND2-CG 3.28Å; N256-M259 PolarHBondContact O-N 3.39Å; N256-M259 WeakPolarHBondContact OD1-CG 3.44Å; N256-M259 PolarHBondContact OD1-N 2.93Å; N256-A260 PolarHBondContact O-N 2.86Å
257K93.4Very high91.7Very high163 Ų16375.9 Ų75.971%0.70936%0.363SS*.Hα-helixtrans-56.3-19.9179-165.7170.3-174.8173.50114.2M255 K261M255-K257 PolarHBondContact O-N 2.94Å; K257-K261 WeakPolarHBondContact O-CG 3.41Å; K257-K261 PolarHBondContact O-N 2.71Å
258K91.9Very high91.8Very high148 Ų14881.2 Ų81.264%0.64337%0.374SS*.Hα-helixtrans-73.3-56.2169.7-173.5-179.8179-177.60110.4N256 A260 K261 T262N256-K258 PolarHBondContact O-N 3.16Å; N256-K258 PolarHBondContact OD1-N 2.75Å; K258-A260 VanDerWaalsContact C-N 3.3Å; K258-A260 PolarHBondContact O-N 2.82Å; K258-K261 WeakPolarHBondContact O-CB 3.29Å; K258-K261 PolarHBondContact O-N 3.27Å; K258-T262 PolarHBondContact O-N 3.42Å; K258-T262 PolarHBondContact O-OG1 3.48Å; K258-T262 VanDerWaalsContact O-OG1 3.07Å
259M90.8Very high91.8Very high47 Ų4779.7 Ų79.723%0.23237%0.367CS..Hα-helixtrans-60.6-36.8178.1-65.1-66.691.600112.5N256 K261 T262 V263 L323N256-M259 HydrophobicContact CB-CB 4.15Å; N256-M259 HydrophobicContact CB-CG 4.32Å; N256-M259 VanDerWaalsContact CG-CG 3.46Å; N256-M259 WeakPolarHBondContact ND2-CG 3.28Å; N256-M259 PolarHBondContact O-N 3.39Å; N256-M259 WeakPolarHBondContact OD1-CG 3.44Å; N256-M259 PolarHBondContact OD1-N 2.93Å; M259-K261 VanDerWaalsContact C-N 3.27Å; M259-K261 PolarHBondContact O-N 2.86Å; M259-T262 HydrophobicContact CE-CG2 4.39Å; M259-T262 PolarHBondContact O-N 2.76Å; M259-V263 HydrophobicContact CB-CG2 4.41Å; M259-V263 VanDerWaalsContact O-CG2 3.24Å; M259-V263 WeakPolarHBondContact O-CG2 3.37Å; M259-V263 PolarHBondContact O-N 2.74Å; M259-L323 HydrophobicContact CB-CD2 3.87Å
260A92.9Very high91.5Very high34 Ų3480.6 Ų80.628%0.28138%0.381SS..Hα-helixtrans-64-27.6174.300000114.3L253 N256 K258 G264L253-A260 HydrophobicContact CB-CB 4.15Å; L253-A260 HydrophobicContact CD2-CB 4.01Å; L253-A260 VanDerWaalsContact O-CB 3.31Å; L253-A260 WeakPolarHBondContact O-CB 3.22Å; N256-A260 PolarHBondContact O-N 2.86Å; K258-A260 VanDerWaalsContact C-N 3.3Å; K258-A260 PolarHBondContact O-N 2.82Å; A260-G264 VanDerWaalsContact O-CA 3.32Å; A260-G264 WeakPolarHBondContact O-CA 3.37Å; A260-G264 PolarHBondContact O-N 3.18Å
261K94.3Very high90.8Very high172 Ų17279.2 Ų79.275%0.74839%0.389SS*.Hα-helixtrans-78.5-34168.8-74.7-174.7173.9-164.20112.8K257 K258 M259K257-K261 WeakPolarHBondContact O-CG 3.41Å; K257-K261 PolarHBondContact O-N 2.71Å; K258-K261 WeakPolarHBondContact O-CB 3.29Å; K258-K261 PolarHBondContact O-N 3.27Å; M259-K261 VanDerWaalsContact C-N 3.27Å; M259-K261 PolarHBondContact O-N 2.86Å
262T92.3Very high90Very high42 Ų4286 Ų8626%0.25842%0.418SS..Hα-helixtrans-84.8-37.6-172-57.60000114.1K258 M259 H265 Y283K258-T262 PolarHBondContact O-N 3.42Å; K258-T262 PolarHBondContact O-OG1 3.48Å; K258-T262 VanDerWaalsContact O-OG1 3.07Å; M259-T262 HydrophobicContact CE-CG2 4.39Å; M259-T262 PolarHBondContact O-N 2.76Å; T262-H265 PolarHBondContact O-CE1 2.59Å; T262-Y283 HydrophobicContact CG2-CD1 3.85Å; T262-Y283 HydrophobicContact CG2-CE1 3.34Å; T262-Y283 WeakPolarHBondContact O-CE1 3.28Å; T262-Y283 PolarHBondContact O-OH 3.23Å
263V94.4Very high89.8Confident4 Ų487.3 Ų87.32%0.02443%0.425CS..THydrogen-bonded Turntrans-127.7-1.4-178.2-660000113.7M259 H265 I266 F267 Y283 L323M259-V263 HydrophobicContact CB-CG2 4.41Å; M259-V263 VanDerWaalsContact O-CG2 3.24Å; M259-V263 WeakPolarHBondContact O-CG2 3.37Å; M259-V263 PolarHBondContact O-N 2.74Å; V263-H265 PolarHBondContact O-N 3.31Å; V263-H265 VanDerWaalsContact O-N 3.12Å; V263-I266 HydrophobicContact CB-CD1 4.1Å; V263-I266 HydrophobicContact CG1-CD1 4.17Å; V263-I266 WeakPolarHBondContact O-CB 3.44Å; V263-I266 PolarHBondContact O-N 3.17Å; V263-F267 HydrophobicContact CG2-CE2 4.11Å; V263-F267 WeakPolarHBondContact O-CD2 3.45Å; V263-Y283 HydrophobicContact CG1-CD1 3.77Å; V263-Y283 HydrophobicContact CG1-CD2 3.98Å; V263-Y283 HydrophobicContact CG1-CE1 4.38Å; V263-Y283 HydrophobicContact CG1-CG 3.55Å; V263-L323 HydrophobicContact CG2-CD2 3.78Å
264G93.1Very high89.4Confident5 Ų589.3 Ų89.35%0.05245%0.445CS..THydrogen-bonded Turntrans-64.5-18.3-172.200000115.4A260 R268A260-G264 VanDerWaalsContact O-CA 3.32Å; A260-G264 WeakPolarHBondContact O-CA 3.37Å; A260-G264 PolarHBondContact O-N 3.18Å; G264-R268 VanDerWaalsContact C-NH1 3.35Å; G264-R268 PolarHBondContact O-NH1 3.05Å
265H93.9Very high89.2Confident50 Ų5085 Ų8523%0.23144%0.437CS..THydrogen-bonded Turntrans-74.6-31.3173.159.8-58.3000113T262 V263 F267 R268 M269 E279T262-H265 PolarHBondContact O-CE1 2.59Å; V263-H265 PolarHBondContact O-N 3.31Å; V263-H265 VanDerWaalsContact O-N 3.12Å; H265-F267 PolarHBondContact O-N 2.96Å; H265-R268 CarbonylContact O-C 3.09Å; H265-R268 WeakPolarHBondContact O-CA 3.39Å; H265-R268 WeakPolarHBondContact O-CB 3.35Å; H265-R268 PolarHBondContact O-N 2.95Å; H265-M269 PolarHBondContact O-N 3.34Å; H265-E279 IonicContact CD2-OE2 3.67Å; H265-E279 IonicContact CE1-OE2 3.62Å; H265-E279 IonicContact NE2-OE2 2.76Å; H265-E279 PolarHBondContact NE2-OE2 3.29Å
266I94.1Very high89.2Confident0 Ų079.1 Ų79.10%041%0.407CS..THydrogen-bonded Turntrans-59.5-37.3176.8-58.7174.7000110.7V263 R268 M269 K276 E279 I280 Y283 L322V263-I266 HydrophobicContact CB-CD1 4.1Å; V263-I266 HydrophobicContact CG1-CD1 4.17Å; V263-I266 WeakPolarHBondContact O-CB 3.44Å; V263-I266 PolarHBondContact O-N 3.17Å; I266-R268 PolarHBondContact O-N 3.33Å; I266-M269 HydrophobicContact CB-CE 4.32Å; I266-M269 HydrophobicContact CG1-CE 3.94Å; I266-M269 PolarHBondContact O-N 2.85Å; I266-K276 HydrophobicContact CG2-CG 4.09Å; I266-K276 WeakPolarHBondContact O-CE 3.48Å; I266-K276 PolarHBondContact O-NZ 2.74Å; I266-K276 VanDerWaalsContact O-NZ 3.15Å; I266-E279 HydrophobicContact CD1-CB 4.03Å; I266-E279 HydrophobicContact CG1-CB 4.07Å; I266-I280 HydrophobicContact CG2-CD1 4.09Å; I266-I280 HydrophobicContact CG2-CG1 3.55Å; I266-Y283 HydrophobicContact CD1-CD2 3.78Å; I266-Y283 HydrophobicContact CD1-CE2 4.45Å; I266-L322 HydrophobicContact CD1-CD1 3.85Å; I266-L322 HydrophobicContact CG2-CD1 4.19Å
267F91.9Very high89.2Confident54 Ų5479.5 Ų79.524%0.23741%0.407CS..THydrogen-bonded Turntrans-71.2-5.7174.2-61.3-87.3000114.3V249 L253 V263 H265 N319 L323V249-F267 HydrophobicContact CG1-CD1 3.55Å; V249-F267 HydrophobicContact CG1-CE1 3.44Å; V249-F267 VanDerWaalsContact CG1-CE1 3.44Å; V249-F267 HydrophobicContact CG1-CG 4.39Å; V249-F267 HydrophobicContact CG1-CZ 4.22Å; L253-F267 HydrophobicContact CD1-CD2 4.16Å; L253-F267 HydrophobicContact CD1-CG 4.22Å; L253-F267 HydrophobicContact CD2-CD2 4.28Å; L253-F267 HydrophobicContact CD2-CE2 4.21Å; V263-F267 HydrophobicContact CG2-CE2 4.11Å; V263-F267 WeakPolarHBondContact O-CD2 3.45Å; H265-F267 PolarHBondContact O-N 2.96Å; F267-N319 HydrophobicContact CD1-CB 4Å; F267-N319 HydrophobicContact CE1-CB 3.58Å; F267-N319 HydrophobicContact CZ-CB 4.15Å; F267-N319 WeakPolarHBondContact CZ-O 3.42Å; F267-L323 HydrophobicContact CE2-CD1 4.4Å; F267-L323 HydrophobicContact CE2-CD2 4.34Å; F267-L323 HydrophobicContact CE2-CG 4.37Å; F267-L323 HydrophobicContact CZ-CD1 3.93Å; F267-L323 HydrophobicContact CZ-CD2 4.44Å; F267-L323 HydrophobicContact CZ-CG 3.98Å
268R88.8Confident89.2Confident194 Ų19477.5 Ų77.573%0.73240%0.4SS*.THydrogen-bonded Turntrans-111-19.2175.6-59.7-169.8-61.6-89.66.7113.7G264 H265 I266G264-R268 VanDerWaalsContact C-NH1 3.35Å; G264-R268 PolarHBondContact O-NH1 3.05Å; H265-R268 CarbonylContact O-C 3.09Å; H265-R268 WeakPolarHBondContact O-CA 3.39Å; H265-R268 WeakPolarHBondContact O-CB 3.35Å; H265-R268 PolarHBondContact O-N 2.95Å; I266-R268 PolarHBondContact O-N 3.33Å
269M88.6Confident89.3Confident46 Ų4672.3 Ų72.323%0.22738%0.378CS..SBendtrans-72149.3173.6-67.8-170.6-72.400111.2H265 I266 K276 E279H265-M269 PolarHBondContact O-N 3.34Å; I266-M269 HydrophobicContact CB-CE 4.32Å; I266-M269 HydrophobicContact CG1-CE 3.94Å; I266-M269 PolarHBondContact O-N 2.85Å; M269-K276 HydrophobicContact CB-CB 4.04Å; M269-K276 HydrophobicContact CB-CD 3.88Å; M269-K276 HydrophobicContact CB-CG 4.09Å; M269-K276 HydrophobicContact CE-CB 4.04Å; M269-K276 HydrophobicContact CE-CG 4.14Å; M269-K276 PolarHBondContact O-NZ 2.83Å; M269-K276 HydrophobicContact SD-CB 4.35Å; M269-E279 HydrophobicContact CE-CB 4.11Å; M269-E279 HydrophobicContact CE-CG 4.22Å
270G84.6Confident89.5Confident37 Ų3770.3 Ų70.338%0.38137%0.368SS..  trans-66.7160.1-179.800000112.9Q272 D273 K276G270-Q272 PolarHBondContact O-N 2.93Å; G270-D273 WeakPolarHBondContact CA-OD2 3.42Å; G270-D273 PolarHBondContact N-OD2 3.01Å; G270-K276 WeakPolarHBondContact O-CD 3.3Å
271S75.3Confident89.6Confident118 Ų11870.5 Ų70.583%0.82536%0.362SS*.THydrogen-bonded Turntrans-76.4-1.5-177.251.60000115
272Q74.6Confident89.5Confident189 Ų18966.4 Ų66.488%0.88334%0.344SS*.THydrogen-bonded Turntrans-123.16.4178-62.3-174.95.900113G270 A274G270-Q272 PolarHBondContact O-N 2.93Å; Q272-A274 PolarHBondContact O-N 3.18Å
273D84.1Confident89.6Confident79 Ų7966.5 Ų66.542%0.42234%0.34SS..  trans-71.6118.9175.6-71.5-42.5000110.2G270 N275 K276G270-D273 WeakPolarHBondContact CA-OD2 3.42Å; G270-D273 PolarHBondContact N-OD2 3.01Å; D273-N275 VanDerWaalsContact C-N 3.26Å; D273-N275 PolarHBondContact O-N 3.02Å; D273-K276 HydrophobicContact CB-CB 3.95Å; D273-K276 WeakPolarHBondContact O-CA 3.46Å; D273-K276 VanDerWaalsContact O-CB 3.22Å; D273-K276 WeakPolarHBondContact O-CB 3.12Å; D273-K276 PolarHBondContact O-N 3.36Å
274A83.4Confident89.7Confident70 Ų7066.3 Ų66.358%0.57934%0.339SS*.Hα-helixtrans-56.7-41.7174.800000111.8Q272 K276 E277 E278Q272-A274 PolarHBondContact O-N 3.18Å; A274-K276 PolarHBondContact O-N 3.13Å; A274-E277 PolarHBondContact O-N 2.9Å; A274-E278 PolarHBondContact O-N 2.97Å
275N88.1Confident89.8Confident107 Ų10766.9 Ų66.957%0.57234%0.341SS*.Hα-helixtrans-55.1-25.4174.1-57.42.6000113.1D273 E279D273-N275 VanDerWaalsContact C-N 3.26Å; D273-N275 PolarHBondContact O-N 3.02Å; N275-E279 WeakPolarHBondContact O-CG 3.5Å; N275-E279 PolarHBondContact O-N 3.18Å
276K92.1Very high89.8Confident24 Ų2465.8 Ų65.810%0.10434%0.336CS..Hα-helixtrans-76.4-39175.7-175179.4-176.2162.40111.9I266 M269 G270 D273 A274 I280 N319I266-K276 HydrophobicContact CG2-CG 4.09Å; I266-K276 WeakPolarHBondContact O-CE 3.48Å; I266-K276 PolarHBondContact O-NZ 2.74Å; I266-K276 VanDerWaalsContact O-NZ 3.15Å; M269-K276 HydrophobicContact CB-CB 4.04Å; M269-K276 HydrophobicContact CB-CD 3.88Å; M269-K276 HydrophobicContact CB-CG 4.09Å; M269-K276 HydrophobicContact CE-CB 4.04Å; M269-K276 HydrophobicContact CE-CG 4.14Å; M269-K276 PolarHBondContact O-NZ 2.83Å; M269-K276 HydrophobicContact SD-CB 4.35Å; G270-K276 WeakPolarHBondContact O-CD 3.3Å; D273-K276 HydrophobicContact CB-CB 3.95Å; D273-K276 WeakPolarHBondContact O-CA 3.46Å; D273-K276 VanDerWaalsContact O-CB 3.22Å; D273-K276 WeakPolarHBondContact O-CB 3.12Å; D273-K276 PolarHBondContact O-N 3.36Å; A274-K276 PolarHBondContact O-N 3.13Å; K276-I280 HydrophobicContact CD-CD1 4.44Å; K276-I280 HydrophobicContact CG-CD1 3.83Å; K276-I280 HydrophobicContact CG-CG1 4.34Å; K276-I280 VanDerWaalsContact O-CB 3.31Å; K276-I280 WeakPolarHBondContact O-CB 3.34Å; K276-I280 WeakPolarHBondContact O-CD1 3.4Å; K276-I280 WeakPolarHBondContact O-CG1 3.4Å; K276-I280 PolarHBondContact O-N 3.37Å; K276-N319 VanDerWaalsContact CE-OD1 3.28Å; K276-N319 WeakPolarHBondContact CE-OD1 3.46Å
277E91.3Very high89.7Confident86 Ų8669 Ų6940%0.40235%0.349SS..Hα-helixtrans-62.5-44.3173.4174.2164.2172.700110.8A274 E279 I280 R281 M316A274-E277 PolarHBondContact O-N 2.9Å; E277-E279 PolarHBondContact O-N 3.31Å; E277-I280 PolarHBondContact O-N 2.94Å; E277-R281 HydrophobicContact CG-CG 4.27Å; E277-R281 WeakPolarHBondContact O-CB 3.47Å; E277-R281 VanDerWaalsContact O-CG 3.32Å; E277-R281 WeakPolarHBondContact O-CG 3.31Å; E277-R281 PolarHBondContact O-N 2.96Å; E277-R281 IonicContact OE1-CZ 2.73Å; E277-R281 IonicContact OE1-NE 2.76Å; E277-R281 PolarHBondContact OE1-NE 2.86Å; E277-R281 IonicContact OE1-NH2 3.72Å; E277-R281 PolarHBondContact OE1-NH2 3.39Å; E277-M316 HydrophobicContact CB-SD 4.42Å; E277-M316 HydrophobicContact CG-SD 3.58Å; E277-M316 VanDerWaalsContact CG-SD 3.58Å
278E92Very high89.5Confident121 Ų12168.6 Ų68.657%0.56536%0.359SS*.Hα-helixtrans-58.4-48.9177.3-66.2-176.2173.300112.4A274 R281 K282A274-E278 PolarHBondContact O-N 2.97Å; E278-R281 PolarHBondContact O-N 3.01Å; E278-K282 VanDerWaalsContact O-CB 3.28Å; E278-K282 WeakPolarHBondContact O-CB 3.44Å; E278-K282 PolarHBondContact O-N 3.34Å
279E94.4Very high89.4Confident39 Ų3962.8 Ų62.818%0.18234%0.337CS..Hα-helixtrans-67-39.8177.1-70-78.899.400111.5H265 I266 M269 N275 E277 R281 K282 Y283H265-E279 IonicContact CD2-OE2 3.67Å; H265-E279 IonicContact CE1-OE2 3.62Å; H265-E279 IonicContact NE2-OE2 2.76Å; H265-E279 PolarHBondContact NE2-OE2 3.29Å; I266-E279 HydrophobicContact CD1-CB 4.03Å; I266-E279 HydrophobicContact CG1-CB 4.07Å; M269-E279 HydrophobicContact CE-CB 4.11Å; M269-E279 HydrophobicContact CE-CG 4.22Å; N275-E279 WeakPolarHBondContact O-CG 3.5Å; N275-E279 PolarHBondContact O-N 3.18Å; E277-E279 PolarHBondContact O-N 3.31Å; E279-R281 PolarHBondContact O-N 2.63Å; E279-K282 PolarHBondContact O-N 3.42Å; E279-K282 WeakPolarHBondContact OE1-CD 3.42Å; E279-K282 WeakPolarHBondContact OE1-CE 3.46Å; E279-K282 IonicContact OE1-NZ 3.66Å; E279-K282 PolarHBondContact OE1-NZ 2.8Å; E279-Y283 WeakPolarHBondContact O-CD2 3.46Å; E279-Y283 PolarHBondContact O-N 3.33Å; E279-Y283 WeakPolarHBondContact OE2-CE2 3.49Å
280I94.9Very high89.2Confident6 Ų666.3 Ų66.33%0.03135%0.352CS..Hα-helixtrans-56.5-51.7173.4-76.4168.3000110.3I266 K276 E277 K282 Y283 S284 C315 M316 N319 L322I266-I280 HydrophobicContact CG2-CD1 4.09Å; I266-I280 HydrophobicContact CG2-CG1 3.55Å; K276-I280 HydrophobicContact CD-CD1 4.44Å; K276-I280 HydrophobicContact CG-CD1 3.83Å; K276-I280 HydrophobicContact CG-CG1 4.34Å; K276-I280 VanDerWaalsContact O-CB 3.31Å; K276-I280 WeakPolarHBondContact O-CB 3.34Å; K276-I280 WeakPolarHBondContact O-CD1 3.4Å; K276-I280 WeakPolarHBondContact O-CG1 3.4Å; K276-I280 PolarHBondContact O-N 3.37Å; E277-I280 PolarHBondContact O-N 2.94Å; I280-K282 PolarHBondContact O-N 3.04Å; I280-Y283 PolarHBondContact O-N 2.85Å; I280-S284 VanDerWaalsContact O-CB 3.22Å; I280-S284 WeakPolarHBondContact O-CB 3.49Å; I280-S284 PolarHBondContact O-N 2.93Å; I280-S284 PolarHBondContact O-OG 2.99Å; I280-C315 HydrophobicContact CG2-CB 3.56Å; I280-M316 HydrophobicContact CD1-CG 4.42Å; I280-M316 HydrophobicContact CG2-CG 3.77Å; I280-N319 WeakPolarHBondContact CD1-OD1 3.43Å; I280-L322 HydrophobicContact CG1-CD1 4.49Å
281R94.8Very high88.8Confident38 Ų3868.3 Ų68.314%0.14335%0.353CS..Hα-helixtrans-55.1-52.5178.1-78.8177.7177.5-74.6-3.4110.9W217 E277 E278 E279 Y283 S284 E309 A312W217-R281 HydrophobicContact CH2-CB 3.77Å; W217-R281 HydrophobicContact CZ2-CB 3.74Å; W217-R281 HydrophobicContact CZ2-CG 4.2Å; E277-R281 HydrophobicContact CG-CG 4.27Å; E277-R281 WeakPolarHBondContact O-CB 3.47Å; E277-R281 VanDerWaalsContact O-CG 3.32Å; E277-R281 WeakPolarHBondContact O-CG 3.31Å; E277-R281 PolarHBondContact O-N 2.96Å; E277-R281 IonicContact OE1-CZ 2.73Å; E277-R281 IonicContact OE1-NE 2.76Å; E277-R281 PolarHBondContact OE1-NE 2.86Å; E277-R281 IonicContact OE1-NH2 3.72Å; E277-R281 PolarHBondContact OE1-NH2 3.39Å; E278-R281 PolarHBondContact O-N 3.01Å; E279-R281 PolarHBondContact O-N 2.63Å; R281-Y283 VanDerWaalsContact C-N 3.35Å; R281-Y283 PolarHBondContact O-N 3.2Å; R281-S284 PolarHBondContact O-N 3.28Å; R281-S284 PolarHBondContact O-OG 3.28Å; R281-E309 IonicContact CZ-OE2 3.54Å; R281-E309 IonicContact NH1-OE1 3.38Å; R281-E309 IonicContact NH1-OE2 3.21Å; R281-E309 PolarHBondContact NH1-OE2 2.99Å; R281-E309 IonicContact NH2-OE1 2.66Å; R281-A312 HydrophobicContact CG-CB 3.95Å
282K93.2Very high88.7Confident86 Ų8665 Ų6537%0.37433%0.331SS..Hα-helixtrans-55.9-41.5179.6177.8-175.4178.8179.70113.5E278 E279 I280 F290E278-K282 VanDerWaalsContact O-CB 3.28Å; E278-K282 WeakPolarHBondContact O-CB 3.44Å; E278-K282 PolarHBondContact O-N 3.34Å; E279-K282 PolarHBondContact O-N 3.42Å; E279-K282 WeakPolarHBondContact OE1-CD 3.42Å; E279-K282 WeakPolarHBondContact OE1-CE 3.46Å; E279-K282 IonicContact OE1-NZ 3.66Å; E279-K282 PolarHBondContact OE1-NZ 2.8Å; I280-K282 PolarHBondContact O-N 3.04Å; K282-F290 HydrophobicContact CG-CD1 4.41Å; K282-F290 HydrophobicContact CG-CE1 4.12Å
283Y95.1Very high88.3Confident44 Ų4465.2 Ų65.217%0.17333%0.329CS..Hα-helixtrans-90.4-19.8-179.6-69.9-74.2000114.6T262 V263 I266 E279 I280 R281 L285 F290 R325T262-Y283 HydrophobicContact CG2-CD1 3.85Å; T262-Y283 HydrophobicContact CG2-CE1 3.34Å; T262-Y283 WeakPolarHBondContact O-CE1 3.28Å; T262-Y283 PolarHBondContact O-OH 3.23Å; V263-Y283 HydrophobicContact CG1-CD1 3.77Å; V263-Y283 HydrophobicContact CG1-CD2 3.98Å; V263-Y283 HydrophobicContact CG1-CE1 4.38Å; V263-Y283 HydrophobicContact CG1-CG 3.55Å; I266-Y283 HydrophobicContact CD1-CD2 3.78Å; I266-Y283 HydrophobicContact CD1-CE2 4.45Å; E279-Y283 WeakPolarHBondContact O-CD2 3.46Å; E279-Y283 PolarHBondContact O-N 3.33Å; E279-Y283 WeakPolarHBondContact OE2-CE2 3.49Å; I280-Y283 PolarHBondContact O-N 2.85Å; R281-Y283 VanDerWaalsContact C-N 3.35Å; R281-Y283 PolarHBondContact O-N 3.2Å; Y283-L285 VanDerWaalsContact C-N 3.28Å; Y283-L285 PolarHBondContact O-N 3.08Å; Y283-F290 HydrophobicContact CD1-CE1 4.12Å; Y283-F290 AromaticContact CD1-CZ 3.88Å; Y283-F290 HydrophobicContact CD1-CZ 3.88Å; Y283-F290 HydrophobicContact CE1-CE1 4.17Å; Y283-F290 AromaticContact CE1-CZ 3.56Å; Y283-F290 HydrophobicContact CE1-CZ 3.56Å; Y283-R325 PolarHBondContact O-NH2 3.43Å
284S96.2Very high87.4Confident0 Ų071.7 Ų71.70%035%0.347CS..Hα-helixtrans-72.4-19.4176.267.50000113.4I280 R281 I286 A312I280-S284 VanDerWaalsContact O-CB 3.22Å; I280-S284 WeakPolarHBondContact O-CB 3.49Å; I280-S284 PolarHBondContact O-N 2.93Å; I280-S284 PolarHBondContact O-OG 2.99Å; R281-S284 PolarHBondContact O-N 3.28Å; R281-S284 PolarHBondContact O-OG 3.28Å; S284-I286 PolarHBondContact O-N 3.28Å; S284-A312 WeakPolarHBondContact OG-CA 3.5Å; S284-A312 PolarHBondContact OG-N 3.1Å
285L94.1Very high86.3Confident17 Ų1775.8 Ų75.89%0.08935%0.348CS..  trans-42.2127179.5-72178.2000112.7W217 Y283 R289 N308 R325W217-L285 HydrophobicContact CH2-CD2 3.68Å; W217-L285 HydrophobicContact CH2-CG 4.13Å; W217-L285 HydrophobicContact CZ2-CD2 4.48Å; W217-L285 HydrophobicContact CZ3-CD1 4.1Å; W217-L285 HydrophobicContact CZ3-CD2 3.74Å; W217-L285 HydrophobicContact CZ3-CG 4.15Å; Y283-L285 VanDerWaalsContact C-N 3.28Å; Y283-L285 PolarHBondContact O-N 3.08Å; L285-R289 HydrophobicContact CB-CG 3.96Å; L285-R289 VanDerWaalsContact O-CD 3.26Å; L285-R289 WeakPolarHBondContact O-CD 3.44Å; L285-R289 VanDerWaalsContact O-CG 3.3Å; L285-R289 WeakPolarHBondContact O-CG 3.38Å; L285-R289 PolarHBondContact O-NE 2.79Å; L285-N308 HydrophobicContact CD2-CB 4.23Å; L285-N308 WeakPolarHBondContact CD2-ND2 3.32Å; L285-R325 PolarHBondContact O-NH1 2.94Å; L285-R325 PolarHBondContact O-NH2 3.23Å
286I94.4Very high84.9Confident26 Ų2678.9 Ų78.913%0.13336%0.359CS..SBendtrans-95.5-50.8172.2-58.6-55.8000109.2S284 R289 I307 N308 A311 L328 F329S284-I286 PolarHBondContact O-N 3.28Å; I286-R289 WeakPolarHBondContact O-CD 3.41Å; I286-R289 WeakPolarHBondContact O-CG 3.32Å; I286-I307 HydrophobicContact CB-CG2 3.93Å; I286-I307 HydrophobicContact CG1-CG2 3.87Å; I286-I307 HydrophobicContact CG2-CG2 4.03Å; I286-N308 PolarHBondContact N-OD1 3.37Å; I286-A311 HydrophobicContact CD1-CB 4.44Å; I286-A311 HydrophobicContact CG1-CB 3.98Å; I286-L328 HydrophobicContact CD1-CD2 4.34Å; I286-L328 HydrophobicContact CD1-CG 4.4Å; I286-F329 HydrophobicContact CD1-CB 4.3Å; I286-F329 HydrophobicContact CG1-CD2 4.48Å; I286-F329 HydrophobicContact CG2-CD2 3.5Å; I286-F329 VanDerWaalsContact CG2-CD2 3.5Å; I286-F329 HydrophobicContact CG2-CE2 3.78Å; I286-F329 HydrophobicContact CG2-CG 4.47Å
287Y92.1Very high83.7Confident69 Ų6981.9 Ų81.927%0.27140%0.396SS..SBendtrans-106.1156.3176.8-61.4-85.1000110.3R289 E304 I307 N308 F329Y287-R289 VanDerWaalsContact C-N 3.26Å; Y287-R289 PolarHBondContact O-N 3.12Å; Y287-E304 HydrophobicContact CD1-CB 4.45Å; Y287-E304 HydrophobicContact CD1-CG 3.7Å; Y287-E304 VanDerWaalsContact CD1-OE1 3.24Å; Y287-E304 WeakPolarHBondContact CD1-OE1 3.37Å; Y287-E304 HydrophobicContact CD2-CB 3.92Å; Y287-E304 HydrophobicContact CD2-CG 3.85Å; Y287-E304 HydrophobicContact CE1-CG 4.04Å; Y287-E304 HydrophobicContact CE2-CG 4.17Å; Y287-E304 HydrophobicContact CG-CB 3.85Å; Y287-E304 HydrophobicContact CG-CG 3.6Å; Y287-I307 HydrophobicContact CD2-CB 4.32Å; Y287-I307 HydrophobicContact CD2-CG2 4.08Å; Y287-I307 HydrophobicContact CE2-CB 4.11Å; Y287-I307 HydrophobicContact CE2-CD1 3.86Å; Y287-I307 HydrophobicContact CE2-CG2 3.82Å; Y287-N308 PolarHBondContact N-OD1 2.88Å; Y287-N308 PolarHBondContact O-ND2 3.49Å; Y287-F329 HydrophobicContact CE2-CE2 4.28Å
288G87.9Confident83Confident44 Ų4484.2 Ų84.245%0.45441%0.405SS..SBendtrans66.821.6-178.800000115F290G288-F290 PolarHBondContact O-N 2.88Å
289R86.6Confident82.6Confident73 Ų7386.1 Ų86.128%0.27541%0.414SS..  trans-65.5129.2-173.6-60.8-177.466.8-145.7-10.5112.8L285 I286 Y287 D291 S292L285-R289 HydrophobicContact CB-CG 3.96Å; L285-R289 VanDerWaalsContact O-CD 3.26Å; L285-R289 WeakPolarHBondContact O-CD 3.44Å; L285-R289 VanDerWaalsContact O-CG 3.3Å; L285-R289 WeakPolarHBondContact O-CG 3.38Å; L285-R289 PolarHBondContact O-NE 2.79Å; I286-R289 WeakPolarHBondContact O-CD 3.41Å; I286-R289 WeakPolarHBondContact O-CG 3.32Å; Y287-R289 VanDerWaalsContact C-N 3.26Å; Y287-R289 PolarHBondContact O-N 3.12Å; R289-D291 WeakPolarHBondContact CB-OD1 3.26Å; R289-D291 IonicContact CZ-OD1 2.64Å; R289-D291 IonicContact CZ-OD2 3.8Å; R289-D291 IonicContact NE-OD1 2.59Å; R289-D291 PolarHBondContact NE-OD1 2.73Å; R289-D291 IonicContact NH1-OD1 3.54Å; R289-D291 IonicContact NH1-OD2 2.74Å; R289-D291 IonicContact NH2-OD1 2.71Å; R289-D291 PolarHBondContact NH2-OD1 2.89Å; R289-D291 IonicContact NH2-OD2 3.59Å; R289-D291 PolarHBondContact NH2-OD2 3.28Å; R289-D291 PolarHBondContact O-N 2.78Å; R289-S292 VanDerWaalsContact O-CB 3.27Å; R289-S292 WeakPolarHBondContact O-CB 3.43Å; R289-S292 PolarHBondContact O-N 3.47Å
290F83.1Confident82.4Confident120 Ų12086.5 Ų86.553%0.52642%0.417SS..THydrogen-bonded Turntrans-61.2-22.5178.369.3-91.6000114.6K282 Y283 G288 S292K282-F290 HydrophobicContact CG-CD1 4.41Å; K282-F290 HydrophobicContact CG-CE1 4.12Å; Y283-F290 HydrophobicContact CD1-CE1 4.12Å; Y283-F290 AromaticContact CD1-CZ 3.88Å; Y283-F290 HydrophobicContact CD1-CZ 3.88Å; Y283-F290 HydrophobicContact CE1-CE1 4.17Å; Y283-F290 AromaticContact CE1-CZ 3.56Å; Y283-F290 HydrophobicContact CE1-CZ 3.56Å; G288-F290 PolarHBondContact O-N 2.88Å; F290-S292 PolarHBondContact O-N 3.21Å
291D76.3Confident82.2Confident78 Ų7889.4 Ų89.442%0.41744%0.435SS..THydrogen-bonded Turntrans-83.28.3174.666.4-46.4000113.6R289R289-D291 WeakPolarHBondContact CB-OD1 3.26Å; R289-D291 IonicContact CZ-OD1 2.64Å; R289-D291 IonicContact CZ-OD2 3.8Å; R289-D291 IonicContact NE-OD1 2.59Å; R289-D291 PolarHBondContact NE-OD1 2.73Å; R289-D291 IonicContact NH1-OD1 3.54Å; R289-D291 IonicContact NH1-OD2 2.74Å; R289-D291 IonicContact NH2-OD1 2.71Å; R289-D291 PolarHBondContact NH2-OD1 2.89Å; R289-D291 IonicContact NH2-OD2 3.59Å; R289-D291 PolarHBondContact NH2-OD2 3.28Å; R289-D291 PolarHBondContact O-N 2.78Å
292S73.9Confident82.1Confident50 Ų5092.3 Ų92.335%0.3545%0.45SS..  trans-109.295-179.4-162.60000112.8R289 F290 R294 R295R289-S292 VanDerWaalsContact O-CB 3.27Å; R289-S292 WeakPolarHBondContact O-CB 3.43Å; R289-S292 PolarHBondContact O-N 3.47Å; F290-S292 PolarHBondContact O-N 3.21Å; S292-R294 PolarHBondContact O-N 3.15Å; S292-R295 PolarHBondContact O-N 3.12Å
293K65.4Low82.2Confident193 Ų19391.9 Ų91.984%0.83945%0.45SS*.THydrogen-bonded Turntrans-64.632.2177.4-59-164.5172.9-159.40115.9
294R65.1Low82.1Confident215 Ų21591.3 Ų91.381%0.81145%0.448SS*.THydrogen-bonded Turntrans-144.914.3-177.2-56.7-169.5-169.2-1407.1113.5S292S292-R294 PolarHBondContact O-N 3.15Å
295R60.8Low82Confident156 Ų15692.5 Ų92.559%0.58945%0.454SS*.  trans-140.23.6-169.6-72.1-64.7177.5-104.310.9115.5S292 G297 K298S292-R295 PolarHBondContact O-N 3.12Å; R295-G297 PolarHBondContact O-N 3.4Å; R295-K298 PolarHBondContact O-N 3.07Å
296E59.2Low82.1Confident172 Ų17292 Ų9280%0.80445%0.452SS*.THydrogen-bonded Turntrans-63.8122.2176.7-63.5165.9-106.300109.1
297G66.6Low82.2Confident87 Ų8790.7 Ų90.790%0.89745%0.445SS*.THydrogen-bonded Turntrans95.4-8.7178.300000117.9R295R295-G297 PolarHBondContact O-N 3.4Å
298K77.4Confident82.4Confident134 Ų13487.8 Ų87.858%0.58343%0.434SS*.PPolyproline II helixtrans-86.1120.7174.1-163.1-156.2169.3-163.20111.2R295R295-K298 PolarHBondContact O-N 3.07Å
299Q83.8Confident82.8Confident162 Ų16287.1 Ų87.176%0.75742%0.42SS*.PPolyproline II helixtrans-58141.5168.3-66.9-177-300111.4
300L88.9Confident83.3Confident46 Ų4683.7 Ų83.724%0.24141%0.406CS..PPolyproline II helixtrans-78.3137.6176.7-64.2-179.8000110.5E304 L305 N308L300-E304 HydrophobicContact CB-CB 4.2Å; L300-E304 HydrophobicContact CD2-CB 4.23Å; L300-L305 HydrophobicContact CB-CD2 3.86Å; L300-L305 HydrophobicContact CB-CG 3.94Å; L300-L305 HydrophobicContact CD1-CD2 3.84Å; L300-L305 HydrophobicContact CG-CD2 4.48Å; L300-N308 WeakPolarHBondContact CD1-ND2 3.42Å
301T92.1Very high84.1Confident68 Ų6878 Ų7842%0.41738%0.381SS..PPolyproline II helixtrans-69.6155.5169.860.40000110.8H303 E304 L305T301-H303 PolarHBondContact O-N 2.91Å; T301-H303 VanDerWaalsContact O-N 3.1Å; T301-E304 WeakPolarHBondContact CB-OE2 3.46Å; T301-E304 WeakPolarHBondContact CG2-OE2 3.42Å; T301-E304 PolarHBondContact N-OE2 3.27Å; T301-E304 WeakPolarHBondContact O-CA 3.3Å; T301-E304 WeakPolarHBondContact O-CB 3.44Å; T301-E304 PolarHBondContact O-N 3.18Å; T301-E304 VanDerWaalsContact OG1-CG 3.28Å; T301-E304 WeakPolarHBondContact OG1-CG 3.42Å; T301-E304 PolarHBondContact OG1-N 3.1Å; T301-E304 PolarHBondContact OG1-OE2 3.41Å; T301-L305 PolarHBondContact O-N 2.99Å
302H91.7Very high85Confident98 Ų9874.2 Ų74.245%0.45436%0.361SS..Hα-helixtrans-51.7-34.6175.9177.286.3000113D223 L305 I306D223-H302 IonicContact OD1-CE1 3.89Å; D223-H302 PolarHBondContact OD1-CE1 3.36Å; H302-L305 PolarHBondContact O-N 3.48Å; H302-I306 WeakPolarHBondContact NE2-CD1 3.3Å; H302-I306 VanDerWaalsContact O-CG1 3.32Å; H302-I306 WeakPolarHBondContact O-CG1 3.46Å; H302-I306 PolarHBondContact O-N 3Å
303H94.3Very high86.1Confident78 Ų7872.8 Ų72.836%0.36135%0.349SS..Hα-helixtrans-69.2-38.9174.2-169.969.3000113.5T301 I306 I307T301-H303 PolarHBondContact O-N 2.91Å; T301-H303 VanDerWaalsContact O-N 3.1Å; H303-I306 PolarHBondContact O-N 2.95Å; H303-I307 WeakPolarHBondContact O-CG1 3.33Å; H303-I307 PolarHBondContact O-N 2.88Å
304E94.4Very high87.6Confident31 Ų3163.6 Ų63.615%0.14531%0.309CS..Hα-helixtrans-68.1-37.2175.1-68.8167.7117.300111.2Y287 L300 T301 I307 N308Y287-E304 HydrophobicContact CD1-CB 4.45Å; Y287-E304 HydrophobicContact CD1-CG 3.7Å; Y287-E304 VanDerWaalsContact CD1-OE1 3.24Å; Y287-E304 WeakPolarHBondContact CD1-OE1 3.37Å; Y287-E304 HydrophobicContact CD2-CB 3.92Å; Y287-E304 HydrophobicContact CD2-CG 3.85Å; Y287-E304 HydrophobicContact CE1-CG 4.04Å; Y287-E304 HydrophobicContact CE2-CG 4.17Å; Y287-E304 HydrophobicContact CG-CB 3.85Å; Y287-E304 HydrophobicContact CG-CG 3.6Å; L300-E304 HydrophobicContact CB-CB 4.2Å; L300-E304 HydrophobicContact CD2-CB 4.23Å; T301-E304 WeakPolarHBondContact CB-OE2 3.46Å; T301-E304 WeakPolarHBondContact CG2-OE2 3.42Å; T301-E304 PolarHBondContact N-OE2 3.27Å; T301-E304 WeakPolarHBondContact O-CA 3.3Å; T301-E304 WeakPolarHBondContact O-CB 3.44Å; T301-E304 PolarHBondContact O-N 3.18Å; T301-E304 VanDerWaalsContact OG1-CG 3.28Å; T301-E304 WeakPolarHBondContact OG1-CG 3.42Å; T301-E304 PolarHBondContact OG1-N 3.1Å; T301-E304 PolarHBondContact OG1-OE2 3.41Å; E304-I307 PolarHBondContact O-N 2.99Å; E304-N308 WeakPolarHBondContact O-CB 3.45Å; E304-N308 PolarHBondContact O-N 3.38Å
305L93.8Very high89.1Confident25 Ų2553.4 Ų53.413%0.13127%0.271CS..Hα-helixtrans-62-48.9172.2-68.7173.4000111.7G220 L222 L300 T301 H302 I307 N308 E309G220-L305 WeakPolarHBondContact O-CD1 3.47Å; G220-L305 WeakPolarHBondContact O-CD2 3.44Å; L222-L305 HydrophobicContact CD2-CB 3.61Å; L222-L305 HydrophobicContact CD2-CD1 4.48Å; L222-L305 HydrophobicContact CG-CB 4.01Å; L300-L305 HydrophobicContact CB-CD2 3.86Å; L300-L305 HydrophobicContact CB-CG 3.94Å; L300-L305 HydrophobicContact CD1-CD2 3.84Å; L300-L305 HydrophobicContact CG-CD2 4.48Å; T301-L305 PolarHBondContact O-N 2.99Å; H302-L305 PolarHBondContact O-N 3.48Å; L305-I307 VanDerWaalsContact C-N 3.31Å; L305-I307 PolarHBondContact O-N 2.94Å; L305-N308 PolarHBondContact O-N 2.95Å; L305-E309 PolarHBondContact O-N 3.32Å
306I95.6Very high90.7Very high6 Ų648.3 Ų48.33%0.03125%0.254CS..Hα-helixtrans-57.1-43.8175.3-69.9165.4000111.3L222 T226 V230 H302 H303 A310 A336 C339L222-I306 HydrophobicContact CD1-CG1 4.44Å; L222-I306 HydrophobicContact CD2-CG1 3.86Å; T226-I306 HydrophobicContact CG2-CD1 3.82Å; T226-I306 HydrophobicContact CG2-CG1 3.69Å; V230-I306 HydrophobicContact CG2-CG2 3.75Å; H302-I306 WeakPolarHBondContact NE2-CD1 3.3Å; H302-I306 VanDerWaalsContact O-CG1 3.32Å; H302-I306 WeakPolarHBondContact O-CG1 3.46Å; H302-I306 PolarHBondContact O-N 3Å; H303-I306 PolarHBondContact O-N 2.95Å; I306-A310 WeakPolarHBondContact O-CB 3.27Å; I306-A310 PolarHBondContact O-N 3.35Å; I306-A336 HydrophobicContact CB-CB 4.45Å; I306-A336 HydrophobicContact CG2-CB 3.67Å; I306-C339 HydrophobicContact CD1-CB 4.41Å; I306-C339 HydrophobicContact CG2-CB 4.41Å
307I96.9Very high92.2Very high0 Ų043.4 Ų43.40%023%0.228CC..Hα-helixtrans-66.2-39.7179-71.5174.4000111.4I286 Y287 H303 E304 L305 A311 F329 A332 R333 A336I286-I307 HydrophobicContact CB-CG2 3.93Å; I286-I307 HydrophobicContact CG1-CG2 3.87Å; I286-I307 HydrophobicContact CG2-CG2 4.03Å; Y287-I307 HydrophobicContact CD2-CB 4.32Å; Y287-I307 HydrophobicContact CD2-CG2 4.08Å; Y287-I307 HydrophobicContact CE2-CB 4.11Å; Y287-I307 HydrophobicContact CE2-CD1 3.86Å; Y287-I307 HydrophobicContact CE2-CG2 3.82Å; H303-I307 WeakPolarHBondContact O-CG1 3.33Å; H303-I307 PolarHBondContact O-N 2.88Å; E304-I307 PolarHBondContact O-N 2.99Å; L305-I307 VanDerWaalsContact C-N 3.31Å; L305-I307 PolarHBondContact O-N 2.94Å; I307-A311 VanDerWaalsContact O-CB 3.27Å; I307-A311 WeakPolarHBondContact O-CB 3.36Å; I307-A311 PolarHBondContact O-N 3.07Å; I307-F329 HydrophobicContact CG2-CD2 4.5Å; I307-A332 HydrophobicContact CG2-CB 3.93Å; I307-R333 HydrophobicContact CD1-CB 4.42Å; I307-R333 HydrophobicContact CD1-CG 4.41Å; I307-A336 HydrophobicContact CD1-CB 4.23Å; I307-A336 HydrophobicContact CG1-CB 3.59Å
308N96.5Very high93.5Very high8 Ų840.1 Ų40.14%0.04319%0.19CC..Hα-helixtrans-67.2-43.8178.2-82-9.7000112.3L285 I286 Y287 L300 E304 L305 A311 A312L285-N308 HydrophobicContact CD2-CB 4.23Å; L285-N308 WeakPolarHBondContact CD2-ND2 3.32Å; I286-N308 PolarHBondContact N-OD1 3.37Å; Y287-N308 PolarHBondContact N-OD1 2.88Å; Y287-N308 PolarHBondContact O-ND2 3.49Å; L300-N308 WeakPolarHBondContact CD1-ND2 3.42Å; E304-N308 WeakPolarHBondContact O-CB 3.45Å; E304-N308 PolarHBondContact O-N 3.38Å; L305-N308 PolarHBondContact O-N 2.95Å; N308-A311 PolarHBondContact O-N 2.68Å; N308-A312 PolarHBondContact O-N 2.89Å
309E96.3Very high94.3Very high30 Ų3035.5 Ų35.514%0.1417%0.172CC..Hα-helixtrans-66.9-43.6175.9-177.757.3-154.300111.4L222 V230 R281 L305 A311 A312 Q313L222-E309 HydrophobicContact CD1-CB 3.73Å; L222-E309 HydrophobicContact CD1-CG 4.19Å; V230-E309 HydrophobicContact CG1-CB 4.44Å; V230-E309 HydrophobicContact CG1-CG 4.07Å; R281-E309 IonicContact CZ-OE2 3.54Å; R281-E309 IonicContact NH1-OE1 3.38Å; R281-E309 IonicContact NH1-OE2 3.21Å; R281-E309 PolarHBondContact NH1-OE2 2.99Å; R281-E309 IonicContact NH2-OE1 2.66Å; L305-E309 PolarHBondContact O-N 3.32Å; E309-A311 VanDerWaalsContact C-N 3.27Å; E309-A311 PolarHBondContact O-N 2.82Å; E309-A312 PolarHBondContact O-N 2.85Å; E309-Q313 HydrophobicContact CG-CG 4.25Å; E309-Q313 WeakPolarHBondContact O-CB 3.09Å; E309-Q313 VanDerWaalsContact O-CG 3.25Å; E309-Q313 WeakPolarHBondContact O-CG 3.49Å; E309-Q313 PolarHBondContact O-N 3.39Å; E309-Q313 VanDerWaalsContact OE1-CG 3.3Å; E309-Q313 WeakPolarHBondContact OE1-CG 3.38Å; E309-Q313 PolarHBondContact OE1-NE2 3.18Å
310A97.9Very high94.7Very high0 Ų027.9 Ų27.90%014%0.136CC..Hα-helixtrans-58.8-40.2174.800000111.7V230 V234 I306 Q313 F314 A332 V335V230-A310 HydrophobicContact CG1-CB 3.93Å; V234-A310 HydrophobicContact CG2-CB 4.31Å; I306-A310 WeakPolarHBondContact O-CB 3.27Å; I306-A310 PolarHBondContact O-N 3.35Å; A310-Q313 PolarHBondContact O-N 2.79Å; A310-F314 WeakPolarHBondContact O-CD2 3.33Å; A310-F314 PolarHBondContact O-N 2.94Å; A310-A332 HydrophobicContact CB-CB 4.01Å; A310-V335 HydrophobicContact CB-CB 3.93Å; A310-V335 HydrophobicContact CB-CG1 3.8Å
311A98.1Very high95.1Very high0 Ų025.8 Ų25.80%013%0.125CC..Hα-helixtrans-65-42.2175.900000112.5I286 I307 N308 E309 F314 C315 L328 A332I286-A311 HydrophobicContact CD1-CB 4.44Å; I286-A311 HydrophobicContact CG1-CB 3.98Å; I307-A311 VanDerWaalsContact O-CB 3.27Å; I307-A311 WeakPolarHBondContact O-CB 3.36Å; I307-A311 PolarHBondContact O-N 3.07Å; N308-A311 PolarHBondContact O-N 2.68Å; E309-A311 VanDerWaalsContact C-N 3.27Å; E309-A311 PolarHBondContact O-N 2.82Å; A311-F314 PolarHBondContact O-N 3.19Å; A311-C315 PolarHBondContact O-N 3.18Å; A311-C315 PolarHBondContact O-SG 2.99Å; A311-C315 VanDerWaalsContact O-SG 3.42Å; A311-L328 HydrophobicContact CB-CD1 3.97Å; A311-L328 HydrophobicContact CB-CD2 4.35Å; A311-L328 HydrophobicContact CB-CG 4.13Å; A311-A332 HydrophobicContact CB-CB 4.15Å
312A96.9Very high95.2Very high0 Ų022.9 Ų22.90%011%0.107CC..Hα-helixtrans-60.8-48.3173.400000111.5R281 S284 N308 E309 F314 C315 M316R281-A312 HydrophobicContact CG-CB 3.95Å; S284-A312 WeakPolarHBondContact OG-CA 3.5Å; S284-A312 PolarHBondContact OG-N 3.1Å; N308-A312 PolarHBondContact O-N 2.89Å; E309-A312 PolarHBondContact O-N 2.85Å; A312-F314 VanDerWaalsContact C-N 3.27Å; A312-F314 PolarHBondContact O-N 3.46Å; A312-C315 PolarHBondContact O-N 3.35Å; A312-C315 VanDerWaalsContact O-N 3.08Å; A312-M316 WeakPolarHBondContact O-CG 3.28Å; A312-M316 PolarHBondContact O-N 3.49Å
313Q97Very high95.3Very high20 Ų2019.7 Ų19.79%0.0939%0.094CC..Hα-helixtrans-62-30.4179.6-69.6-70.6-18.300113.6V231 V234 E309 A310 M316 R317V231-Q313 HydrophobicContact CG2-CG 4.24Å; V234-Q313 HydrophobicContact CB-CB 4.26Å; V234-Q313 HydrophobicContact CG1-CB 3.97Å; V234-Q313 HydrophobicContact CG2-CB 3.89Å; E309-Q313 HydrophobicContact CG-CG 4.25Å; E309-Q313 WeakPolarHBondContact O-CB 3.09Å; E309-Q313 VanDerWaalsContact O-CG 3.25Å; E309-Q313 WeakPolarHBondContact O-CG 3.49Å; E309-Q313 PolarHBondContact O-N 3.39Å; E309-Q313 VanDerWaalsContact OE1-CG 3.3Å; E309-Q313 WeakPolarHBondContact OE1-CG 3.38Å; E309-Q313 PolarHBondContact OE1-NE2 3.18Å; A310-Q313 PolarHBondContact O-N 2.79Å; Q313-M316 HydrophobicContact CB-CE 4.49Å; Q313-M316 VanDerWaalsContact CD-CE 3.44Å; Q313-M316 HydrophobicContact CG-CE 4.11Å; Q313-R317 PolarHBondContact O-NH1 3.05Å
314F97.2Very high95.3Very high0 Ų018.2 Ų18.20%09%0.085CC..Hα-helixtrans-71.7-49.7168.1-79.9-59.3000112V234 L237 Y238 L241 A310 A311 A312 M316 R317 D318 L321 L328 L331 V335V234-F314 HydrophobicContact CB-CE1 4.34Å; V234-F314 HydrophobicContact CB-CZ 4.17Å; V234-F314 HydrophobicContact CG1-CD1 3.84Å; V234-F314 HydrophobicContact CG1-CE1 3.74Å; V234-F314 HydrophobicContact CG1-CE2 4.49Å; V234-F314 HydrophobicContact CG1-CG 4.23Å; V234-F314 HydrophobicContact CG1-CZ 4.04Å; V234-F314 HydrophobicContact CG2-CD2 4.23Å; V234-F314 HydrophobicContact CG2-CE1 4.43Å; V234-F314 HydrophobicContact CG2-CE2 3.81Å; V234-F314 HydrophobicContact CG2-CZ 3.89Å; L237-F314 HydrophobicContact CB-CE1 4.46Å; L237-F314 HydrophobicContact CB-CZ 4.25Å; L237-F314 HydrophobicContact CD2-CE1 4.36Å; L237-F314 HydrophobicContact CD2-CZ 3.74Å; L237-F314 HydrophobicContact CG-CZ 4.43Å; Y238-F314 HydrophobicContact CD2-CD1 4.47Å; L241-F314 HydrophobicContact CD1-CE1 4.32Å; A310-F314 WeakPolarHBondContact O-CD2 3.33Å; A310-F314 PolarHBondContact O-N 2.94Å; A311-F314 PolarHBondContact O-N 3.19Å; A312-F314 VanDerWaalsContact C-N 3.27Å; A312-F314 PolarHBondContact O-N 3.46Å; F314-M316 VanDerWaalsContact C-N 3.3Å; F314-M316 PolarHBondContact O-N 3.14Å; F314-R317 PolarHBondContact O-N 2.76Å; F314-D318 PolarHBondContact O-N 2.89Å; F314-L321 HydrophobicContact CB-CD1 3.84Å; F314-L321 HydrophobicContact CG-CD1 4.46Å; F314-L328 HydrophobicContact CB-CD1 3.86Å; F314-L331 HydrophobicContact CD2-CB 4Å; F314-L331 HydrophobicContact CE2-CB 3.7Å; F314-L331 HydrophobicContact CZ-CB 4.03Å; F314-V335 HydrophobicContact CE2-CG2 3.71Å; F314-V335 HydrophobicContact CZ-CG2 3.79Å
315C95.8Very high95.2Very high0 Ų020 Ų200%09%0.09CC..Hα-helixtrans-66.2-27.4-177.5-69.60000114.2I280 A311 A312 R317 D318 N319 L322 L328I280-C315 HydrophobicContact CG2-CB 3.56Å; A311-C315 PolarHBondContact O-N 3.18Å; A311-C315 PolarHBondContact O-SG 2.99Å; A311-C315 VanDerWaalsContact O-SG 3.42Å; A312-C315 PolarHBondContact O-N 3.35Å; A312-C315 VanDerWaalsContact O-N 3.08Å; C315-R317 VanDerWaalsContact C-N 3.32Å; C315-D318 WeakPolarHBondContact CA-O 3.34Å; C315-D318 CarbonylContact O-C 3.49Å; C315-D318 VanDerWaalsContact O-C 3.26Å; C315-N319 WeakPolarHBondContact O-CA 3.35Å; C315-N319 PolarHBondContact O-N 2.78Å; C315-L322 HydrophobicContact CB-CD2 4.01Å; C315-L322 HydrophobicContact CB-CG 4.12Å; C315-L328 VanDerWaalsContact SG-CD2 3.56Å
316M93.4Very high95.3Very high49 Ų4924.6 Ų24.624%0.24112%0.119CC..Hα-helixtrans-68.2-30.8171.2-70.9-172.4-69.400112.6E277 I280 A312 Q313 F314E277-M316 HydrophobicContact CB-SD 4.42Å; E277-M316 HydrophobicContact CG-SD 3.58Å; E277-M316 VanDerWaalsContact CG-SD 3.58Å; I280-M316 HydrophobicContact CD1-CG 4.42Å; I280-M316 HydrophobicContact CG2-CG 3.77Å; A312-M316 WeakPolarHBondContact O-CG 3.28Å; A312-M316 PolarHBondContact O-N 3.49Å; Q313-M316 HydrophobicContact CB-CE 4.49Å; Q313-M316 VanDerWaalsContact CD-CE 3.44Å; Q313-M316 HydrophobicContact CG-CE 4.11Å; F314-M316 VanDerWaalsContact C-N 3.3Å; F314-M316 PolarHBondContact O-N 3.14Å
317R92.3Very high95.3Very high70 Ų7027.7 Ų27.726%0.26413%0.133SC..Hα-helixtrans-87.2-33.6177.4-70175.7178.172.40.8112.6E235 Y238 Q313 F314 C315E235-R317 IonicContact OE1-CZ 3.48Å; E235-R317 IonicContact OE1-NE 3.86Å; E235-R317 IonicContact OE1-NH2 2.65Å; E235-R317 PolarHBondContact OE1-NH2 3.11Å; Y238-R317 HydrophobicContact CD1-CB 4.09Å; Y238-R317 HydrophobicContact CD2-CB 4.34Å; Y238-R317 HydrophobicContact CE1-CB 3.81Å; Y238-R317 HydrophobicContact CE2-CB 4.12Å; Y238-R317 HydrophobicContact CG-CB 4.35Å; Y238-R317 PolarHBondContact OH-O 3.45Å; Q313-R317 PolarHBondContact O-NH1 3.05Å; F314-R317 PolarHBondContact O-N 2.76Å; C315-R317 VanDerWaalsContact C-N 3.32Å
318D93.1Very high95.4Very high18 Ų1827.8 Ų27.810%0.09613%0.134CC..  trans-140.8103.8171.2-172-6.8000112.3Y238 S244 F314 C315 A320 L321 R324Y238-D318 HydrophobicContact CE2-CB 3.92Å; S244-D318 WeakPolarHBondContact CB-OD2 3.32Å; S244-D318 VanDerWaalsContact OG-CG 3.31Å; S244-D318 PolarHBondContact OG-OD1 2.92Å; S244-D318 PolarHBondContact OG-OD2 3.28Å; F314-D318 PolarHBondContact O-N 2.89Å; C315-D318 WeakPolarHBondContact CA-O 3.34Å; C315-D318 CarbonylContact O-C 3.49Å; C315-D318 VanDerWaalsContact O-C 3.26Å; D318-A320 PolarHBondContact O-N 3.07Å; D318-A320 VanDerWaalsContact O-N 3.14Å; D318-A320 WeakPolarHBondContact OD1-CB 3.12Å; D318-A320 PolarHBondContact OD1-N 3.34Å; D318-L321 HydrophobicContact CB-CD1 4.18Å; D318-L321 HydrophobicContact CB-CG 4.35Å; D318-L321 PolarHBondContact O-N 3.29Å; D318-R324 IonicContact OD2-NH2 3.96Å; D318-R324 PolarHBondContact OD2-NH2 3.46Å
319N93.4Very high95.4Very high37 Ų3730.4 Ų30.420%0.19815%0.145CC..G310 helixtrans-57.8-27.2178.7-63.4-95.9000112.8F267 K276 I280 C315 L321 L322F267-N319 HydrophobicContact CD1-CB 4Å; F267-N319 HydrophobicContact CE1-CB 3.58Å; F267-N319 HydrophobicContact CZ-CB 4.15Å; F267-N319 WeakPolarHBondContact CZ-O 3.42Å; K276-N319 VanDerWaalsContact CE-OD1 3.28Å; K276-N319 WeakPolarHBondContact CE-OD1 3.46Å; I280-N319 WeakPolarHBondContact CD1-OD1 3.43Å; C315-N319 WeakPolarHBondContact O-CA 3.35Å; C315-N319 PolarHBondContact O-N 2.78Å; N319-L321 PolarHBondContact O-N 3.17Å; N319-L322 WeakPolarHBondContact O-CB 3.27Å; N319-L322 WeakPolarHBondContact O-CG 3.47Å; N319-L322 PolarHBondContact O-N 3.1Å
320A94.1Very high95.5Very high1 Ų132 Ų321%0.00816%0.159CC..G310 helixtrans-63.1-24.6-178.200000113.2S244 V249 D318 L322 L323 R324S244-A320 WeakPolarHBondContact OG-CB 3.36Å; V249-A320 HydrophobicContact CG2-CB 3.57Å; D318-A320 PolarHBondContact O-N 3.07Å; D318-A320 VanDerWaalsContact O-N 3.14Å; D318-A320 WeakPolarHBondContact OD1-CB 3.12Å; D318-A320 PolarHBondContact OD1-N 3.34Å; A320-L322 PolarHBondContact O-N 2.86Å; A320-L323 WeakPolarHBondContact O-CA 3.34Å; A320-L323 WeakPolarHBondContact O-CB 3.22Å; A320-L323 PolarHBondContact O-N 3.19Å; A320-R324 PolarHBondContact O-N 2.94Å
321L95.3Very high95.5Very high2 Ų232.6 Ų32.61%0.0116%0.162CC..G310 helixtrans-65.6-19.3179-66.8172.3000112.9F314 D318 N319 L323 R324 E327 L328 L331F314-L321 HydrophobicContact CB-CD1 3.84Å; F314-L321 HydrophobicContact CG-CD1 4.46Å; D318-L321 HydrophobicContact CB-CD1 4.18Å; D318-L321 HydrophobicContact CB-CG 4.35Å; D318-L321 PolarHBondContact O-N 3.29Å; N319-L321 PolarHBondContact O-N 3.17Å; L321-L323 PolarHBondContact O-N 3.29Å; L321-R324 HydrophobicContact CD2-CB 4.46Å; L321-R324 CarbonylContact O-C 3.46Å; L321-R324 PolarHBondContact O-N 3.28Å; L321-E327 HydrophobicContact CD2-CG 4.33Å; L321-L328 HydrophobicContact CB-CB 4.36Å; L321-L328 HydrophobicContact CB-CD1 4.13Å; L321-L331 HydrophobicContact CD1-CD1 4.25Å; L321-L331 HydrophobicContact CD2-CD1 4.25Å
322L95.1Very high95.5Very high7 Ų732.6 Ų32.64%0.03716%0.162CC..G310 helixtrans-60.8-28.7167.9-66.2172.5000112.5I266 I280 C315 N319 A320I266-L322 HydrophobicContact CD1-CD1 3.85Å; I266-L322 HydrophobicContact CG2-CD1 4.19Å; I280-L322 HydrophobicContact CG1-CD1 4.49Å; C315-L322 HydrophobicContact CB-CD2 4.01Å; C315-L322 HydrophobicContact CB-CG 4.12Å; N319-L322 WeakPolarHBondContact O-CB 3.27Å; N319-L322 WeakPolarHBondContact O-CG 3.47Å; N319-L322 PolarHBondContact O-N 3.1Å; A320-L322 PolarHBondContact O-N 2.86Å
323L93.9Very high95.5Very high32 Ų3238.5 Ų38.517%0.16818%0.184CC..THydrogen-bonded Turntrans-87.3-33.6175.7-50.8176.2000111.2V249 L252 L253 M259 V263 F267 A320 L321 R325V249-L323 HydrophobicContact CG1-CD1 4.27Å; L252-L323 HydrophobicContact CB-CD1 3.81Å; L252-L323 HydrophobicContact CD1-CB 4.31Å; L252-L323 HydrophobicContact CD1-CD1 4.3Å; L253-L323 HydrophobicContact CD2-CD1 4.04Å; L253-L323 HydrophobicContact CD2-CD2 3.88Å; L253-L323 HydrophobicContact CG-CD1 3.91Å; M259-L323 HydrophobicContact CB-CD2 3.87Å; V263-L323 HydrophobicContact CG2-CD2 3.78Å; F267-L323 HydrophobicContact CE2-CD1 4.4Å; F267-L323 HydrophobicContact CE2-CD2 4.34Å; F267-L323 HydrophobicContact CE2-CG 4.37Å; F267-L323 HydrophobicContact CZ-CD1 3.93Å; F267-L323 HydrophobicContact CZ-CD2 4.44Å; F267-L323 HydrophobicContact CZ-CG 3.98Å; A320-L323 WeakPolarHBondContact O-CA 3.34Å; A320-L323 WeakPolarHBondContact O-CB 3.22Å; A320-L323 PolarHBondContact O-N 3.19Å; L321-L323 PolarHBondContact O-N 3.29Å; L323-R325 PolarHBondContact O-N 3.34Å
324R94.1Very high95.5Very high47 Ų4741.1 Ų41.118%0.17720%0.197CC..  trans-94.151.1-176.7-59-173-73.6136.9-2.8112.4S244 L252 D318 A320 L321 V326 E327 L328S244-R324 PolarHBondContact OG-NH2 2.93Å; L252-R324 HydrophobicContact CD1-CG 4.22Å; D318-R324 IonicContact OD2-NH2 3.96Å; D318-R324 PolarHBondContact OD2-NH2 3.46Å; A320-R324 PolarHBondContact O-N 2.94Å; L321-R324 HydrophobicContact CD2-CB 4.46Å; L321-R324 CarbonylContact O-C 3.46Å; L321-R324 PolarHBondContact O-N 3.28Å; R324-V326 VanDerWaalsContact C-N 3.29Å; R324-V326 PolarHBondContact O-N 3.46Å; R324-V326 VanDerWaalsContact O-N 3.08Å; R324-E327 HydrophobicContact CB-CB 4.29Å; R324-E327 IonicContact CZ-OE1 3Å; R324-E327 IonicContact CZ-OE2 3.59Å; R324-E327 IonicContact NE-OE2 3.51Å; R324-E327 IonicContact NH1-OE1 2.79Å; R324-E327 PolarHBondContact NH1-OE1 2.87Å; R324-E327 IonicContact NH1-OE2 2.7Å; R324-E327 PolarHBondContact NH1-OE2 3.13Å; R324-E327 IonicContact NH2-OE1 3.33Å; R324-E327 WeakPolarHBondContact O-CB 3.46Å; R324-E327 PolarHBondContact O-N 2.82Å; R324-L328 PolarHBondContact O-N 3.46Å
325R93.6Very high95.5Very high69 Ų6941.1 Ų41.126%0.2620%0.197SC..Hα-helixtrans-54.3-31.5-170.3177.9167.5-82.5-87.7-0.3116.1Y283 L285 L323 F329Y283-R325 PolarHBondContact O-NH2 3.43Å; L285-R325 PolarHBondContact O-NH1 2.94Å; L285-R325 PolarHBondContact O-NH2 3.23Å; L323-R325 PolarHBondContact O-N 3.34Å; R325-F329 WeakPolarHBondContact O-CB 3.27Å; R325-F329 PolarHBondContact O-N 3.48Å
326V95.6Very high95.5Very high121 Ų12141.1 Ų41.173%0.73320%0.197SC*.Hα-helixtrans-69.8-38.1177.7179.10000111.5R324 S330R324-V326 VanDerWaalsContact C-N 3.29Å; R324-V326 PolarHBondContact O-N 3.46Å; R324-V326 VanDerWaalsContact O-N 3.08Å; V326-S330 PolarHBondContact O-N 2.98Å; V326-S330 PolarHBondContact O-OG 2.83Å
327E95.7Very high95.6Very high71 Ų7145.7 Ų45.733%0.33221%0.211SC..Hα-helixtrans-72-48.5176.2-174.8-175.4153.100110.6L321 R324 F329 S330 L331L321-E327 HydrophobicContact CD2-CG 4.33Å; R324-E327 HydrophobicContact CB-CB 4.29Å; R324-E327 IonicContact CZ-OE1 3Å; R324-E327 IonicContact CZ-OE2 3.59Å; R324-E327 IonicContact NE-OE2 3.51Å; R324-E327 IonicContact NH1-OE1 2.79Å; R324-E327 PolarHBondContact NH1-OE1 2.87Å; R324-E327 IonicContact NH1-OE2 2.7Å; R324-E327 PolarHBondContact NH1-OE2 3.13Å; R324-E327 IonicContact NH2-OE1 3.33Å; R324-E327 WeakPolarHBondContact O-CB 3.46Å; R324-E327 PolarHBondContact O-N 2.82Å; E327-F329 VanDerWaalsContact C-N 3.29Å; E327-F329 PolarHBondContact O-N 3.33Å; E327-S330 WeakPolarHBondContact O-CA 3.46Å; E327-S330 WeakPolarHBondContact O-CB 3.46Å; E327-S330 PolarHBondContact O-N 3.18Å; E327-L331 HydrophobicContact CG-CD1 4.17Å; E327-L331 HydrophobicContact CG-CG 4.46Å; E327-L331 WeakPolarHBondContact O-CG 3.48Å; E327-L331 PolarHBondContact O-N 3.33Å
328L97.2Very high95.6Very high1 Ų145.7 Ų45.71%0.00521%0.213CC..Hα-helixtrans-50.8-47173.8178.661.7000112.2I286 A311 F314 C315 L321 R324 S330 L331 A332I286-L328 HydrophobicContact CD1-CD2 4.34Å; I286-L328 HydrophobicContact CD1-CG 4.4Å; A311-L328 HydrophobicContact CB-CD1 3.97Å; A311-L328 HydrophobicContact CB-CD2 4.35Å; A311-L328 HydrophobicContact CB-CG 4.13Å; F314-L328 HydrophobicContact CB-CD1 3.86Å; C315-L328 VanDerWaalsContact SG-CD2 3.56Å; L321-L328 HydrophobicContact CB-CB 4.36Å; L321-L328 HydrophobicContact CB-CD1 4.13Å; R324-L328 PolarHBondContact O-N 3.46Å; L328-S330 VanDerWaalsContact C-N 3.33Å; L328-S330 PolarHBondContact O-N 2.96Å; L328-L331 PolarHBondContact O-N 3.06Å; L328-A332 VanDerWaalsContact O-CB 3.3Å; L328-A332 WeakPolarHBondContact O-CB 3.24Å; L328-A332 PolarHBondContact O-N 3.46Å
329F97.9Very high95.5Very high64 Ų6445.1 Ų45.128%0.28121%0.211SC..Hα-helixtrans-62.3-39.4175.8178.1-127.3000112.7I286 Y287 I307 R325 E327 R333I286-F329 HydrophobicContact CD1-CB 4.3Å; I286-F329 HydrophobicContact CG1-CD2 4.48Å; I286-F329 HydrophobicContact CG2-CD2 3.5Å; I286-F329 VanDerWaalsContact CG2-CD2 3.5Å; I286-F329 HydrophobicContact CG2-CE2 3.78Å; I286-F329 HydrophobicContact CG2-CG 4.47Å; Y287-F329 HydrophobicContact CE2-CE2 4.28Å; I307-F329 HydrophobicContact CG2-CD2 4.5Å; R325-F329 WeakPolarHBondContact O-CB 3.27Å; R325-F329 PolarHBondContact O-N 3.48Å; E327-F329 VanDerWaalsContact C-N 3.29Å; E327-F329 PolarHBondContact O-N 3.33Å; F329-R333 WeakPolarHBondContact O-CB 3.28Å; F329-R333 PolarHBondContact O-N 2.87Å
330S97.7Very high95.2Very high62 Ų6245.8 Ų45.843%0.43422%0.221SC..Hα-helixtrans-67.1-42.4179.5-590000112V326 E327 L328 Q334V326-S330 PolarHBondContact O-N 2.98Å; V326-S330 PolarHBondContact O-OG 2.83Å; E327-S330 WeakPolarHBondContact O-CA 3.46Å; E327-S330 WeakPolarHBondContact O-CB 3.46Å; E327-S330 PolarHBondContact O-N 3.18Å; L328-S330 VanDerWaalsContact C-N 3.33Å; L328-S330 PolarHBondContact O-N 2.96Å; S330-Q334 PolarHBondContact O-N 2.78Å
331L97.6Very high94.7Very high13 Ų1352.9 Ų52.97%0.06825%0.249CC..Hα-helixtrans-66.2-49.6175.7-64.4173.2000111.6L237 L241 F314 L321 E327 L328 R333 Q334 V335L237-L331 HydrophobicContact CD2-CB 4.43Å; L237-L331 HydrophobicContact CD2-CD2 3.75Å; L237-L331 HydrophobicContact CG-CD2 4.48Å; L241-L331 HydrophobicContact CD1-CD1 3.72Å; L241-L331 HydrophobicContact CD1-CD2 3.95Å; L241-L331 HydrophobicContact CD1-CG 4.49Å; L241-L331 HydrophobicContact CD2-CD2 3.9Å; F314-L331 HydrophobicContact CD2-CB 4Å; F314-L331 HydrophobicContact CE2-CB 3.7Å; F314-L331 HydrophobicContact CZ-CB 4.03Å; L321-L331 HydrophobicContact CD1-CD1 4.25Å; L321-L331 HydrophobicContact CD2-CD1 4.25Å; E327-L331 HydrophobicContact CG-CD1 4.17Å; E327-L331 HydrophobicContact CG-CG 4.46Å; E327-L331 WeakPolarHBondContact O-CG 3.48Å; E327-L331 PolarHBondContact O-N 3.33Å; L328-L331 PolarHBondContact O-N 3.06Å; L331-R333 VanDerWaalsContact C-N 3.33Å; L331-R333 PolarHBondContact O-N 3.29Å; L331-Q334 WeakPolarHBondContact O-CA 3.44Å; L331-Q334 WeakPolarHBondContact O-CB 3.45Å; L331-Q334 PolarHBondContact O-N 3.35Å; L331-V335 PolarHBondContact O-N 2.85Å
332A98.1Very high93.9Very high0 Ų055.4 Ų55.40%026%0.264CS..Hα-helixtrans-61.1-40.1177.900000112I307 A310 A311 L328 Q334 V335 A336I307-A332 HydrophobicContact CG2-CB 3.93Å; A310-A332 HydrophobicContact CB-CB 4.01Å; A311-A332 HydrophobicContact CB-CB 4.15Å; L328-A332 VanDerWaalsContact O-CB 3.3Å; L328-A332 WeakPolarHBondContact O-CB 3.24Å; L328-A332 PolarHBondContact O-N 3.46Å; A332-Q334 VanDerWaalsContact C-N 3.31Å; A332-Q334 PolarHBondContact O-N 2.66Å; A332-V335 PolarHBondContact O-N 3.33Å; A332-A336 PolarHBondContact O-N 3.45Å
333R97.8Very high93Very high124 Ų12457.2 Ų57.247%0.46828%0.277SS..Hα-helixtrans-69.6-24.8173.4-167174.9-175.6-168.91.7113.1I307 F329 L331 R337I307-R333 HydrophobicContact CD1-CB 4.42Å; I307-R333 HydrophobicContact CD1-CG 4.41Å; F329-R333 WeakPolarHBondContact O-CB 3.28Å; F329-R333 PolarHBondContact O-N 2.87Å; L331-R333 VanDerWaalsContact C-N 3.33Å; L331-R333 PolarHBondContact O-N 3.29Å; R333-R337 WeakPolarHBondContact O-CG 3.39Å; R333-R337 PolarHBondContact O-N 3.44Å; R333-R337 PolarHBondContact O-NE 3.5Å
334Q96.6Very high92Very high75 Ų7560 Ų6035%0.3530%0.296SS..Hα-helixtrans-70.5-42.7169.9-170.1178.4300111.4L237 S330 L331 A332 R337 K338L237-Q334 HydrophobicContact CD2-CB 4.45Å; L237-Q334 HydrophobicContact CD2-CG 4.5Å; S330-Q334 PolarHBondContact O-N 2.78Å; L331-Q334 WeakPolarHBondContact O-CA 3.44Å; L331-Q334 WeakPolarHBondContact O-CB 3.45Å; L331-Q334 PolarHBondContact O-N 3.35Å; A332-Q334 VanDerWaalsContact C-N 3.31Å; A332-Q334 PolarHBondContact O-N 2.66Å; Q334-R337 PolarHBondContact O-N 2.99Å; Q334-K338 PolarHBondContact O-N 3.48Å; Q334-K338 VanDerWaalsContact O-N 3.15Å
335V97.2Very high90.9Very high0 Ų061 Ų610%030%0.304CS..Hα-helixtrans-61-48.3172.71710000110.9V230 V234 A310 F314 L331 A332 R337 K338 C339V230-V335 HydrophobicContact CB-CG1 4.42Å; V230-V335 HydrophobicContact CG1-CG1 4.14Å; V230-V335 HydrophobicContact CG2-CG1 4.27Å; V234-V335 HydrophobicContact CG2-CG1 4.32Å; V234-V335 HydrophobicContact CG2-CG2 3.89Å; A310-V335 HydrophobicContact CB-CB 3.93Å; A310-V335 HydrophobicContact CB-CG1 3.8Å; F314-V335 HydrophobicContact CE2-CG2 3.71Å; F314-V335 HydrophobicContact CZ-CG2 3.79Å; L331-V335 PolarHBondContact O-N 2.85Å; A332-V335 PolarHBondContact O-N 3.33Å; V335-R337 VanDerWaalsContact C-N 3.25Å; V335-R337 PolarHBondContact O-N 3.4Å; V335-K338 WeakPolarHBondContact O-CA 3.24Å; V335-K338 WeakPolarHBondContact O-CB 3.38Å; V335-K338 PolarHBondContact O-N 2.92Å; V335-C339 PolarHBondContact O-N 3.01Å; V335-C339 PolarHBondContact O-SG 3.19Å; V335-C339 VanDerWaalsContact O-SG 3.33Å
336A96Very high89.8Confident0 Ų062.5 Ų62.50%031%0.313CS..Hα-helixtrans-58.4-34.3179.700000114I306 I307 A332 A340I306-A336 HydrophobicContact CB-CB 4.45Å; I306-A336 HydrophobicContact CG2-CB 3.67Å; I307-A336 HydrophobicContact CD1-CB 4.23Å; I307-A336 HydrophobicContact CG1-CB 3.59Å; A332-A336 PolarHBondContact O-N 3.45Å; A336-A340 WeakPolarHBondContact O-CB 3.37Å; A336-A340 PolarHBondContact O-N 3.43Å; A336-A340 VanDerWaalsContact O-N 3.12Å
337R94.8Very high88.3Confident146 Ų14662.1 Ų62.155%0.55130%0.303SS*.Hα-helixtrans-70.1-37.4172.4-75.6173.9-70-171.62.6112.8R333 Q334 V335 Y341R333-R337 WeakPolarHBondContact O-CG 3.39Å; R333-R337 PolarHBondContact O-N 3.44Å; R333-R337 PolarHBondContact O-NE 3.5Å; Q334-R337 PolarHBondContact O-N 2.99Å; V335-R337 VanDerWaalsContact C-N 3.25Å; V335-R337 PolarHBondContact O-N 3.4Å; R337-Y341 PolarHBondContact O-N 2.9Å; R337-Y341 VanDerWaalsContact O-N 3.15Å
338K91.9Very high86.7Confident70 Ų7061.8 Ų61.830%0.30431%0.312SS..Hα-helixtrans-62.7-50.5173.2-70.5179.6178.4-177.80110.6Q334 V335 A340 Y341 T342Q334-K338 PolarHBondContact O-N 3.48Å; Q334-K338 VanDerWaalsContact O-N 3.15Å; V335-K338 WeakPolarHBondContact O-CA 3.24Å; V335-K338 WeakPolarHBondContact O-CB 3.38Å; V335-K338 PolarHBondContact O-N 2.92Å; K338-A340 VanDerWaalsContact C-N 3.35Å; K338-A340 PolarHBondContact O-N 3.1Å; K338-Y341 PolarHBondContact O-N 3.35Å; K338-Y341 VanDerWaalsContact O-N 3.16Å; K338-T342 PolarHBondContact O-N 2.96Å; K338-T342 PolarHBondContact O-OG1 3.34Å; K338-T342 VanDerWaalsContact O-OG1 3.09Å
339C91Very high84.8Confident6 Ų670.1 Ų70.14%0.04134%0.344CS..Hα-helixtrans-57.7-45-179.9-61.10000112.1V230 I306 V335 T342 S343V230-C339 VanDerWaalsContact CG2-SG 3.56Å; I306-C339 HydrophobicContact CD1-CB 4.41Å; I306-C339 HydrophobicContact CG2-CB 4.41Å; V335-C339 PolarHBondContact O-N 3.01Å; V335-C339 PolarHBondContact O-SG 3.19Å; V335-C339 VanDerWaalsContact O-SG 3.33Å; C339-T342 WeakPolarHBondContact CA-OG1 3.43Å; C339-T342 PolarHBondContact O-N 2.8Å; C339-T342 PolarHBondContact O-OG1 3.15Å; C339-S343 WeakPolarHBondContact O-CB 3.41Å; C339-S343 PolarHBondContact O-N 3.36Å
340A88Confident83Confident50 Ų5070 Ų7041%0.41335%0.35SS..Hα-helixtrans-59.4-47175.100000112.4A336 K338 S343 T344A336-A340 WeakPolarHBondContact O-CB 3.37Å; A336-A340 PolarHBondContact O-N 3.43Å; A336-A340 VanDerWaalsContact O-N 3.12Å; K338-A340 VanDerWaalsContact C-N 3.35Å; K338-A340 PolarHBondContact O-N 3.1Å; A340-S343 PolarHBondContact O-N 3.35Å; A340-T344 PolarHBondContact O-N 3.38Å; A340-T344 PolarHBondContact O-OG1 2.99Å
341Y84.2Confident80.8Confident151 Ų15172.4 Ų72.459%0.59236%0.359SS*.Hα-helixtrans-65.4-41.5177.9-179.5-98.5000113R337 K338 S343 T344 L345R337-Y341 PolarHBondContact O-N 2.9Å; R337-Y341 VanDerWaalsContact O-N 3.15Å; K338-Y341 PolarHBondContact O-N 3.35Å; K338-Y341 VanDerWaalsContact O-N 3.16Å; Y341-S343 VanDerWaalsContact C-N 3.31Å; Y341-S343 PolarHBondContact O-N 2.9Å; Y341-T344 PolarHBondContact O-OG1 3.05Å; Y341-T344 VanDerWaalsContact O-OG1 3.1Å; Y341-L345 HydrophobicContact CE1-CD2 4.14Å; Y341-L345 VanDerWaalsContact O-CB 3.3Å; Y341-L345 WeakPolarHBondContact O-CB 3.42Å; Y341-L345 PolarHBondContact O-N 3.48Å
342T78.1Confident78.8Confident55 Ų5575 Ų7534%0.33738%0.382SS..Hα-helixtrans-67.3-33.5175.9500000112.1K338 C339 K346K338-T342 PolarHBondContact O-N 2.96Å; K338-T342 PolarHBondContact O-OG1 3.34Å; K338-T342 VanDerWaalsContact O-OG1 3.09Å; C339-T342 WeakPolarHBondContact CA-OG1 3.43Å; C339-T342 PolarHBondContact O-N 2.8Å; C339-T342 PolarHBondContact O-OG1 3.15Å; T342-K346 WeakPolarHBondContact O-CB 3.46Å; T342-K346 VanDerWaalsContact O-CG 3.27Å; T342-K346 WeakPolarHBondContact O-CG 3.16Å; T342-K346 PolarHBondContact O-N 3.02Å
343S75.3Confident76.5Confident44 Ų4481 Ų8131%0.30841%0.414SS..Hα-helixtrans-66.1-51.9174.9-1770000110.8C339 A340 Y341 L345 K346 H347C339-S343 WeakPolarHBondContact O-CB 3.41Å; C339-S343 PolarHBondContact O-N 3.36Å; A340-S343 PolarHBondContact O-N 3.35Å; Y341-S343 VanDerWaalsContact C-N 3.31Å; Y341-S343 PolarHBondContact O-N 2.9Å; S343-L345 VanDerWaalsContact C-N 3.32Å; S343-L345 PolarHBondContact O-N 3.28Å; S343-K346 PolarHBondContact O-N 3.27Å; S343-H347 PolarHBondContact O-N 3.47Å; S343-H347 PolarHBondContact O-ND1 3.21Å; S343-H347 PolarHBondContact OG-CE1 2.81Å; S343-H347 PolarHBondContact OG-ND1 2.89Å
344T73.3Confident74.2Confident91 Ų9182.1 Ų82.156%0.55843%0.425SS*.Hα-helixtrans-61.8-38.2178.452.80000112.6A340 Y341 H347 A348A340-T344 PolarHBondContact O-N 3.38Å; A340-T344 PolarHBondContact O-OG1 2.99Å; Y341-T344 PolarHBondContact O-OG1 3.05Å; Y341-T344 VanDerWaalsContact O-OG1 3.1Å; T344-H347 PolarHBondContact O-N 2.76Å; T344-A348 WeakPolarHBondContact O-CB 3.19Å; T344-A348 PolarHBondContact O-N 2.96Å
345L71.9Confident71.7Confident67 Ų6783.1 Ų83.135%0.35144%0.44SS..Hα-helixtrans-68.6-34.4176.4-174.962.6000113.2Y341 S343 R349Y341-L345 HydrophobicContact CE1-CD2 4.14Å; Y341-L345 VanDerWaalsContact O-CB 3.3Å; Y341-L345 WeakPolarHBondContact O-CB 3.42Å; Y341-L345 PolarHBondContact O-N 3.48Å; S343-L345 VanDerWaalsContact C-N 3.32Å; S343-L345 PolarHBondContact O-N 3.28Å; L345-R349 WeakPolarHBondContact O-CG 3.24Å; L345-R349 PolarHBondContact O-N 2.68Å
346K70.5Confident69Low102 Ų10287 Ų8744%0.44347%0.467SS..Hα-helixtrans-67-49.7172.4-80.5175.9173.8-175.90111.3E225 T342 S343 A348 R349 S350E225-K346 WeakPolarHBondContact OE1-CD 3.32Å; E225-K346 IonicContact OE1-NZ 2.79Å; E225-K346 PolarHBondContact OE1-NZ 3.49Å; T342-K346 WeakPolarHBondContact O-CB 3.46Å; T342-K346 VanDerWaalsContact O-CG 3.27Å; T342-K346 WeakPolarHBondContact O-CG 3.16Å; T342-K346 PolarHBondContact O-N 3.02Å; S343-K346 PolarHBondContact O-N 3.27Å; K346-A348 VanDerWaalsContact C-N 3.3Å; K346-A348 PolarHBondContact O-N 3.21Å; K346-R349 PolarHBondContact O-N 3.23Å; K346-S350 PolarHBondContact O-N 3.24Å; K346-S350 PolarHBondContact O-OG 3.01Å
347H63.1Low66.4Low112 Ų11289.5 Ų89.552%0.51949%0.493SS..Hα-helixtrans-60.8-37.7178.9-72.882.4000112.1S343 T344 R349 S350 N351S343-H347 PolarHBondContact O-N 3.47Å; S343-H347 PolarHBondContact O-ND1 3.21Å; S343-H347 PolarHBondContact OG-CE1 2.81Å; S343-H347 PolarHBondContact OG-ND1 2.89Å; T344-H347 PolarHBondContact O-N 2.76Å; H347-R349 VanDerWaalsContact C-N 3.25Å; H347-R349 PolarHBondContact O-N 3.05Å; H347-S350 PolarHBondContact O-OG 2.97Å; H347-N351 PolarHBondContact O-N 3.46Å; H347-N351 VanDerWaalsContact O-N 3.15Å; H347-N351 PolarHBondContact O-ND2 2.69Å
348A61.7Low64Low65 Ų6590.4 Ų90.454%0.53751%0.508SS..Hα-helixtrans-63-3017400000113.2T344 K346T344-A348 WeakPolarHBondContact O-CB 3.19Å; T344-A348 PolarHBondContact O-N 2.96Å; K346-A348 VanDerWaalsContact C-N 3.3Å; K346-A348 PolarHBondContact O-N 3.21Å
349R58.7Low61.4Low176 Ų17692.1 Ų92.166%0.66453%0.529SS*.Hα-helixtrans-83.2-40.9177.4-70.7175.7178-165.4-3.1112.6L345 K346 H347 N351 A352 D353L345-R349 WeakPolarHBondContact O-CG 3.24Å; L345-R349 PolarHBondContact O-N 2.68Å; K346-R349 PolarHBondContact O-N 3.23Å; H347-R349 VanDerWaalsContact C-N 3.25Å; H347-R349 PolarHBondContact O-N 3.05Å; R349-N351 VanDerWaalsContact C-N 3.34Å; R349-N351 PolarHBondContact O-N 3.4Å; R349-A352 WeakPolarHBondContact O-CB 3.39Å; R349-A352 PolarHBondContact O-N 2.84Å; R349-D353 PolarHBondContact O-N 3.36Å
350S58.7Low59.3Low60 Ų60100.2 Ų100.242%0.4257%0.566SS.*Hα-helixtrans-66.7-33.7178.360.30000112.9K346 H347 A352 D353 E354K346-S350 PolarHBondContact O-N 3.24Å; K346-S350 PolarHBondContact O-OG 3.01Å; H347-S350 PolarHBondContact O-OG 2.97Å; S350-A352 VanDerWaalsContact C-N 3.32Å; S350-A352 PolarHBondContact O-N 2.87Å; S350-D353 PolarHBondContact O-N 3.47Å; S350-E354 PolarHBondContact O-N 3.06Å
351N52.9Low56.9Low113 Ų113107.8 Ų107.860%0.60459%0.59SS**Hα-helixtrans-67.2-30.7173.4-80.7-91.6000112.8H347 R349 S355H347-N351 PolarHBondContact O-N 3.46Å; H347-N351 VanDerWaalsContact O-N 3.15Å; H347-N351 PolarHBondContact O-ND2 2.69Å; R349-N351 VanDerWaalsContact C-N 3.34Å; R349-N351 PolarHBondContact O-N 3.4Å; N351-S355 PolarHBondContact O-N 2.75Å
352A55.2Low54.6Low69 Ų69111.6 Ų111.657%0.5760%0.603SS**Hα-helixtrans-71.4-32.9173.700000112.1R349 S350R349-A352 WeakPolarHBondContact O-CB 3.39Å; R349-A352 PolarHBondContact O-N 2.84Å; S350-A352 VanDerWaalsContact C-N 3.32Å; S350-A352 PolarHBondContact O-N 2.87Å
353D49.9Very low52.7Low125 Ų125113.6 Ų113.667%0.66863%0.625SS**Hα-helixtrans-73.9-47.6180-144.631.8000111.5R349 S350 S355 S356R349-D353 PolarHBondContact O-N 3.36Å; S350-D353 PolarHBondContact O-N 3.47Å; D353-S355 VanDerWaalsContact C-N 3.25Å; D353-S355 PolarHBondContact O-N 3.27Å; D353-S356 WeakPolarHBondContact O-CB 3.37Å; D353-S356 PolarHBondContact O-N 3.48Å; D353-S356 PolarHBondContact O-OG 3.31Å
354E48.6Very low50.8Low148 Ų148122.2 Ų122.269%0.69265%0.651SS**Hα-helixtrans-55.4-38.4172.7-96.9-81.787.800112.5S350 S356 G357S350-E354 PolarHBondContact O-N 3.06Å; E354-S356 PolarHBondContact O-N 2.78Å; E354-G357 PolarHBondContact O-N 2.75Å
355S43.9Very low48.8Very low95 Ų95126 Ų12666%0.66466%0.662SS**Hα-helixtrans-62.6-13.2177.2-170.60000114.1N351 D353N351-S355 PolarHBondContact O-N 2.75Å; D353-S355 VanDerWaalsContact C-N 3.25Å; D353-S355 PolarHBondContact O-N 3.27Å
356S42.5Very low47Very low82 Ų82130.5 Ų130.557%0.57368%0.681SS**Hα-helixtrans-89.3-19.6174.1780000113.8D353 E354 L358D353-S356 WeakPolarHBondContact O-CB 3.37Å; D353-S356 PolarHBondContact O-N 3.48Å; D353-S356 PolarHBondContact O-OG 3.31Å; E354-S356 PolarHBondContact O-N 2.78Å; S356-L358 PolarHBondContact O-N 2.96Å
357G40.6Very low45Very low53 Ų53131.8 Ų131.855%0.54670%0.697SS.*Hα-helixtrans-76.2-23.9-16900000115.6E354E354-G357 PolarHBondContact O-N 2.75Å
358L44.1Very low43.4Very low164 Ų164133.3 Ų133.386%0.85971%0.708SS**THydrogen-bonded Turntrans-910.3-170.3-69.9174.1000115.3S356S356-L358 PolarHBondContact O-N 2.96Å
359S37.3Very low41.8Very low107 Ų107136 Ų13675%0.74872%0.718SS**  trans-106.839.7-174.3-59.30000114.9
360Q46Very low40.3Very low175 Ų175132.9 Ų132.982%0.81872%0.722SS**  trans-129.473.5178.1-71.7-160.4-900115.8
361K38.8Very low38.9Very low209 Ų209138.1 Ų138.191%0.90974%0.74SS**  trans-172.8143.4146.7-104.8152.9-173169.60108
362R35.2Very low37.8Very low231 Ų231137 Ų13787%0.87274%0.741SS**  cis-152116.618.5174.6-175.6-172.9155.8-1110.5
363A38.8Very low36.6Very low98 Ų98138.7 Ų138.781%0.8175%0.749SS**  trans-104.2128.5167.500000110.9
364R35.3Very low35.7Very low225 Ų225139.6 Ų139.685%0.84975%0.753SS**  trans-151.288.7165-74-62.4-177.2134.8-2.5105.5
365H31.7Very low34.9Very low170 Ų170140.3 Ų140.379%0.78776%0.761SS**  92144.481.8-162.8-85.5000111.5
366E34.4Very low34.2Very low162 Ų162138.7 Ų138.776%0.75776%0.759SS**  trans-76.6167.1-158.7-49.9166.4119.100114.9
367V27.6Very low33.8Very low128 Ų128140.8 Ų140.878%0.77677%0.768SS**  trans-173122.8136.4133.90000113.6
368I29.6Very low33.5Very low145 Ų145147.1 Ų147.174%0.74478%0.783SS**  trans69.4111.1140.6-64179.9000123
369V27.2Very low32.9Very low122 Ų122142.7 Ų142.774%0.73978%0.777SS**  63.3114125.7-178.20000123.2
370S28.7Very low32.9Very low109 Ų109142.7 Ų142.776%0.76278%0.777SS**  trans60.9162136.3-59.20000125.2
371E27.8Very low32.5Very low170 Ų170143.6 Ų143.679%0.79478%0.781SS**  trans87.298.7159.5-68.1-116.659.900120.2
372S29.7Very low32.2Very low90 Ų90136.9 Ų136.963%0.62977%0.772SS**  79.8116.2113.5-61.30000122.6
373S30.4Very low32.3Very low105 Ų105130.5 Ų130.573%0.73477%0.768SS**  98.4120.4123.3-71.80000123.5
374L32.4Very low32.1Very low144 Ų144131 Ų13175%0.75476%0.762SS**  trans89.9122.7135.8-66.2165000123.3
375L31.7Very low32.3Very low163 Ų163127.3 Ų127.385%0.85375%0.754SS**  trans63.8144.4141.7-59.6166.8000119.7
376G27.6Very low32.4Very low60 Ų60128.4 Ų128.462%0.61975%0.751SS**  cis-154.2165.8-0.500000111.1
377V35.8Very low32.8Very low127 Ų127124.7 Ų124.777%0.7775%0.748SS**  67.8120.479.9176.80000111.3
378E33Very low33.5Very low186 Ų186126 Ų12687%0.86975%0.751SS**  cis-159.9161.615.2-146.7164.8-152.600114.5
379G31.7Very low34.3Very low70 Ų70127.4 Ų127.472%0.72275%0.754SS**  trans81.4153148.900000120.6
380S37.8Very low34.7Very low107 Ų107127.9 Ų127.975%0.74875%0.753SS**  cis-166147.5-17.5-136.90000113.8
381E37.1Very low35.6Very low194 Ų194127.5 Ų127.591%0.90775%0.75SS**  trans58.1143.6159.4-39.8-163.1129.900120.1
382G32.7Very low36.3Very low69 Ų69127.3 Ų127.371%0.71175%0.754SS**  cis-148.1154.5-4.100000110.7
383A36.5Very low37Very low97 Ų97128.7 Ų128.780%0.80276%0.763SS**  80.8126.271.400000113.8
384T35.4Very low37.6Very low109 Ų109128.6 Ų128.667%0.66977%0.769SS**  cis-173.7140.2-16.64.10000110.1
385Q39.8Very low38.2Very low146 Ų146130 Ų13068%0.68277%0.771SS**  trans56.5164.1140.4-68.3167.510.500119.8
386R34.7Very low38.6Very low193 Ų193127.2 Ų127.273%0.72877%0.766SS**  cis-135.9162.8-2.6-97.4116.9-160.2-82.51.1107.4
387A42.7Very low39.1Very low84 Ų84131.8 Ų131.869%0.69478%0.775SS**  cis80.192.320.600000116.8
388D41.3Very low39.3Very low157 Ų157132.3 Ų132.384%0.8477%0.774SS**  trans-164.8157.7160.7-77.2-48.9000107.6
389E45.7Very low39.4Very low173 Ų173128.8 Ų128.881%0.80877%0.768SS**  cis-169.6172.1-41.9-107.9-70.46900107.2
390D36.7Very low40Very low133 Ų133131.4 Ų131.471%0.71177%0.77SS**  trans85.2127.8151.3-145.3-118.6000124.3
391S48.1Very low40.3Very low101 Ų101131.7 Ų131.771%0.70677%0.772SS**  trans88.3149.3143-86.30000125.4
392L41.6Very low40.5Very low166 Ų166130.6 Ų130.687%0.86977%0.771SS**  trans-126.7160.6-169.6-61.7163000110.2
393S44.3Very low40.7Very low118 Ų118130.1 Ų130.183%0.82577%0.767SS**  trans-164.2149.9140.8-88.50000111.6
394A42.8Very low40.7Very low103 Ų103133.8 Ų133.885%0.85177%0.773SS**  trans-152.6111.3-179.800000111.9
395E45.4Very low41.1Very low174 Ų174132.8 Ų132.881%0.81378%0.776SS**  trans-152.4131.2169.956.3-162106.900107
396S39.4Very low41.9Very low105 Ų105131.7 Ų131.773%0.73478%0.781SS**  cis106.9126.810.3-162.10000114
397L39.8Very low42.5Very low155 Ų155134.5 Ų134.581%0.81280%0.802SS**  trans69.5159.4175.7-51.1-179.3000117.5
398D37.9Very low42.5Very low139 Ų139137 Ų13774%0.74381%0.807SS**  cis-165.6161.3-48.9-147.3-44000108.7
399C36.8Very low42.6Very low111 Ų111135.9 Ų135.975%0.7581%0.805SS**  trans62.6162.9173.4-112.90000115.7
400V42.8Very low42.4Very low126 Ų126133.9 Ų133.976%0.76481%0.805SS**  cis-130.5140.414.2174.40000111.1
401S44.9Very low42.8Very low112 Ų112133.9 Ų133.978%0.78381%0.811SS**  trans-92.3125.9167.1-69.20000111.9
402L41.1Very low42.4Very low171 Ų171136 Ų13690%0.89582%0.817SS**  trans-179.8128155.3-98.9152.5000107.3
403G37.9Very low42.5Very low60 Ų60134 Ų13462%0.61981%0.814SS**  cis125.796.8-1.900000111.6
404N36.1Very low42.4Very low173 Ų173135.1 Ų135.193%0.92581%0.813SS**  trans-165.3132.1154.4-1279.1000114.6
405A43.3Very low42.3Very low89 Ų89137.6 Ų137.674%0.73681%0.81SS**  trans-166160.4155.700000106.9
406P57.2Low42.1Very low122 Ų122134.6 Ų134.679%0.79281%0.81SS**  cis-119.8-174.1-6.541.6-29.2000112
407H47.7Very low42.3Very low252 Ų252137.3 Ų137.3100%1.16782%0.817SS**  -150.70128.1-141.3-49.1000112.2

Retrieved 407 of 407 residues in 415.8 ms (Link to these results)

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