A0A087X3Q9_POEFO Loading...

Condensin-2 complex subunit H2

AlphaFold DB , UniProt , Accession A0A087X3Q9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 549 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
1M40.8Very low60.1Low243 Ų24388.8 Ų88.8100%1.19745%0.454SS*.  0910-71.6-179.5169.300106.2
2E42.3Very low60.8Low178 Ų17887.6 Ų87.683%0.83245%0.449SS*.  trans-57.8136.2160.9-81170.3154.100107.1T4E2-T4 PolarHBondContact O-N 3.28Å
3S54.9Low61.2Low70 Ų7090.6 Ų90.649%0.4946%0.46SS..  trans-51.2127.9179.244.70000110E5 S6S3-E5 PolarHBondContact O-N 3.11Å; S3-S6 PolarHBondContact O-N 3.25Å; S3-S6 PolarHBondContact O-OG 3.42Å; S3-S6 PolarHBondContact OG-OG 3Å
4T56.5Low61.3Low49 Ų4990.4 Ų90.430%0.30147%0.468SS..Hα-helixtrans-52.2-26.2175.149.80000112.8E2 S6 E55E2-T4 PolarHBondContact O-N 3.28Å; T4-S6 VanDerWaalsContact C-N 3.33Å; T4-S6 PolarHBondContact O-N 2.94Å; T4-E55 HydrophobicContact CG2-CB 4.22Å; T4-E55 HydrophobicContact CG2-CG 4.16Å
5E56.4Low61.2Low139 Ų13987.6 Ų87.665%0.6545%0.453SS*.Hα-helixtrans-65.1-27172.3-69.2-175.7161.400114.4S3 S9S3-E5 PolarHBondContact O-N 3.11Å; E5-S9 VanDerWaalsContact O-CA 3.29Å; E5-S9 WeakPolarHBondContact O-CA 3.44Å; E5-S9 WeakPolarHBondContact O-CB 3.4Å; E5-S9 PolarHBondContact O-N 2.64Å
6S61.8Low61Low55 Ų5595.5 Ų95.539%0.38548%0.475SS..Hα-helixtrans-80.4-39.4179.661.40000112.3S3 T4 S9S3-S6 PolarHBondContact O-N 3.25Å; S3-S6 PolarHBondContact O-OG 3.42Å; S3-S6 PolarHBondContact OG-OG 3Å; T4-S6 VanDerWaalsContact C-N 3.33Å; T4-S6 PolarHBondContact O-N 2.94Å; S6-S9 WeakPolarHBondContact O-CB 3.4Å; S6-S9 PolarHBondContact O-N 3.04Å; S6-S9 PolarHBondContact O-OG 2.76Å
7R67.3Low60.8Low118 Ų11896.2 Ų96.245%0.44548%0.477SS..Hα-helixtrans-61.8-50.7179.6-173.7-175.8-87.7-166.2-23.9111.2H10 E36 E55R7-H10 PolarHBondContact O-CE1 2.92Å; R7-H10 VanDerWaalsContact O-CE1 3.27Å; R7-H10 PolarHBondContact O-ND1 3.21Å; R7-H10 VanDerWaalsContact O-ND1 3.12Å; R7-E36 IonicContact CZ-OE1 2.99Å; R7-E36 VanDerWaalsContact CZ-OE1 3.26Å; R7-E36 IonicContact CZ-OE2 2.83Å; R7-E36 VanDerWaalsContact NH1-CD 3.35Å; R7-E36 IonicContact NH1-OE1 3.43Å; R7-E36 PolarHBondContact NH1-OE1 3.4Å; R7-E36 IonicContact NH1-OE2 2.8Å; R7-E36 PolarHBondContact NH1-OE2 2.79Å; R7-E36 IonicContact NH2-OE1 3.26Å; R7-E36 PolarHBondContact NH2-OE1 2.68Å; R7-E36 IonicContact NH2-OE2 3.83Å; R7-E55 IonicContact NH1-OE1 3.33Å; R7-E55 PolarHBondContact NH1-OE1 2.98Å
8Y71.4Confident60.5Low8 Ų895.5 Ų95.53%0.03147%0.474CS..THydrogen-bonded Turntrans-9918.6-179-52.8-63.7000113.7H10 L11 L12 E55 L59Y8-H10 PolarHBondContact O-N 3.43Å; Y8-H10 VanDerWaalsContact O-N 3.15Å; Y8-L11 HydrophobicContact CD1-CD1 3.77Å; Y8-L11 HydrophobicContact CG-CD1 4.27Å; Y8-L11 WeakPolarHBondContact O-CB 3.27Å; Y8-L11 PolarHBondContact O-N 3.35Å; Y8-L12 WeakPolarHBondContact O-CG 3.25Å; Y8-L12 PolarHBondContact O-N 3.27Å; Y8-E55 HydrophobicContact CD2-CG 4.26Å; Y8-E55 HydrophobicContact CE2-CG 3.53Å; Y8-E55 WeakPolarHBondContact CE2-OE1 3.18Å; Y8-E55 PolarHBondContact OH-OE1 3.45Å; Y8-L59 HydrophobicContact CD1-CD1 3.74Å; Y8-L59 HydrophobicContact CE1-CD1 3.62Å; Y8-L59 HydrophobicContact CE1-CD2 4.39Å; Y8-L59 HydrophobicContact CE1-CG 4.48Å; Y8-L59 HydrophobicContact CG-CD1 4.46Å
9S68.1Low60.5Low49 Ų4996.4 Ų96.434%0.34349%0.486SS..Hα-helixtrans-54.3-36.3178.857.20000112.3E5 S6 L11 L12 Q13E5-S9 VanDerWaalsContact O-CA 3.29Å; E5-S9 WeakPolarHBondContact O-CA 3.44Å; E5-S9 WeakPolarHBondContact O-CB 3.4Å; E5-S9 PolarHBondContact O-N 2.64Å; S6-S9 WeakPolarHBondContact O-CB 3.4Å; S6-S9 PolarHBondContact O-N 3.04Å; S6-S9 PolarHBondContact O-OG 2.76Å; S9-L11 VanDerWaalsContact C-N 3.3Å; S9-L11 PolarHBondContact O-N 2.83Å; S9-L12 PolarHBondContact O-N 3.37Å; S9-Q13 WeakPolarHBondContact O-CG 3.48Å; S9-Q13 PolarHBondContact O-N 3.07Å; S9-Q13 VanDerWaalsContact O-N 3.15Å
10H71.5Confident60.6Low55 Ų5597.2 Ų97.226%0.25549%0.486SS..Hα-helixtrans-68.6-25.4178.765.8-88.6000113.1R7 Y8 E29R7-H10 PolarHBondContact O-CE1 2.92Å; R7-H10 VanDerWaalsContact O-CE1 3.27Å; R7-H10 PolarHBondContact O-ND1 3.21Å; R7-H10 VanDerWaalsContact O-ND1 3.12Å; Y8-H10 PolarHBondContact O-N 3.43Å; Y8-H10 VanDerWaalsContact O-N 3.15Å; H10-E29 IonicContact CE1-OE1 2.66Å; H10-E29 IonicContact CE1-OE2 3.82Å; H10-E29 IonicContact NE2-OE1 3.96Å; H10-E29 IonicContact NE2-OE2 3.79Å
11L70.8Confident60.8Low13 Ų1393.4 Ų93.47%0.06847%0.467CS..Hα-helixtrans-82.3-23.6174.1-57.1177.8000112.9Y8 S9 I24 L59 I66Y8-L11 HydrophobicContact CD1-CD1 3.77Å; Y8-L11 HydrophobicContact CG-CD1 4.27Å; Y8-L11 WeakPolarHBondContact O-CB 3.27Å; Y8-L11 PolarHBondContact O-N 3.35Å; S9-L11 VanDerWaalsContact C-N 3.3Å; S9-L11 PolarHBondContact O-N 2.83Å; L11-I24 HydrophobicContact CD2-CG2 3.9Å; L11-L59 HydrophobicContact CD1-CD1 3.49Å; L11-L59 VanDerWaalsContact CD1-CD1 3.49Å; L11-I66 HydrophobicContact CB-CD1 4.33Å; L11-I66 HydrophobicContact CD2-CD1 3.42Å; L11-I66 VanDerWaalsContact CD2-CD1 3.42Å; L11-I66 HydrophobicContact CG-CD1 4.49Å
12L67.9Low62Low74 Ų7488 Ų8839%0.38743%0.434SS..Hα-helixtrans-95.3-9.8-176.6-61.9176.1000113.4Y8 S9 L58Y8-L12 WeakPolarHBondContact O-CG 3.25Å; Y8-L12 PolarHBondContact O-N 3.27Å; S9-L12 PolarHBondContact O-N 3.37Å; L12-L58 HydrophobicContact CD1-CD2 4.49Å; L12-L58 HydrophobicContact CD2-CD2 4.05Å
13Q66.4Low63.2Low127 Ų12786.7 Ų86.759%0.59343%0.427SS*.SBendtrans-63.4134.5179.9-84.3177.726.400111.4S9 I15S9-Q13 WeakPolarHBondContact O-CG 3.48Å; S9-Q13 PolarHBondContact O-N 3.07Å; S9-Q13 VanDerWaalsContact O-N 3.15Å; Q13-I15 PolarHBondContact O-N 3.44Å
14P61.7Low64.2Low88 Ų8884.5 Ų84.557%0.57141%0.41SS*.  trans-55.7130.6173.5-21.630.8000109.5R16P14-R16 VanDerWaalsContact C-N 3.29Å; P14-R16 HydrophobicContact CB-CG 4.46Å; P14-R16 WeakPolarHBondContact O-CG 3.46Å; P14-R16 PolarHBondContact O-N 2.95Å
15I59.8Low65.2Low48 Ų4886.6 Ų86.625%0.24642%0.419CS..  trans-73.287.9-171.5-67.6174.9000109Q13 L18 N21 K69Q13-I15 PolarHBondContact O-N 3.44Å; I15-L18 HydrophobicContact CG2-CD1 4.17Å; I15-N21 WeakPolarHBondContact CG2-ND2 3.36Å; I15-K69 HydrophobicContact CB-CD 4.48Å; I15-K69 HydrophobicContact CD1-CD 3.28Å; I15-K69 HydrophobicContact CG1-CD 4.38Å; I15-K69 HydrophobicContact CG2-CD 4.13Å
16R58.4Low66.5Low214 Ų21480.8 Ų80.881%0.80839%0.394SS*.  trans-96.7-31-176.1-72.9175.3179.6-176.31.5112.4P14P14-R16 VanDerWaalsContact C-N 3.29Å; P14-R16 HydrophobicContact CB-CG 4.46Å; P14-R16 WeakPolarHBondContact O-CG 3.46Å; P14-R16 PolarHBondContact O-N 2.95Å
17E57.2Low67.6Low108 Ų10881.5 Ų81.551%0.50540%0.402SS..  trans-134.9110.5-178.3-72.7176.4-168.900110.3T19 K20E17-T19 VanDerWaalsContact C-N 3.33Å; E17-T19 PolarHBondContact O-N 2.85Å; E17-K20 HydrophobicContact CB-CD 4.31Å; E17-K20 PolarHBondContact O-N 3.25Å; E17-K20 VanDerWaalsContact OE2-CD 3.32Å; E17-K20 WeakPolarHBondContact OE2-CD 3.35Å; E17-K20 WeakPolarHBondContact OE2-CE 3.4Å; E17-K20 IonicContact OE2-NZ 2.96Å; E17-K20 PolarHBondContact OE2-NZ 3.47Å
18L56.1Low68.4Low83 Ų8378 Ų7844%0.43540%0.396SS..Hα-helixtrans-69.3-25.8-172.6-89.469.4000114I15 N21 L73I15-L18 HydrophobicContact CG2-CD1 4.17Å; L18-N21 PolarHBondContact O-N 2.93Å; L18-L73 HydrophobicContact CB-CD1 4.12Å; L18-L73 HydrophobicContact CD2-CD1 3.68Å; L18-L73 HydrophobicContact CD2-CD2 3.32Å; L18-L73 HydrophobicContact CD2-CG 3.89Å; L18-L73 HydrophobicContact CG-CD1 3.96Å; L18-L73 HydrophobicContact CG-CD2 4.45Å
19T60.4Low68.9Low112 Ų11280.2 Ų80.269%0.68741%0.407SS*.Hα-helixtrans-70.2-35.5-179.8-45.90000111.9E17 N21 W22E17-T19 VanDerWaalsContact C-N 3.33Å; E17-T19 PolarHBondContact O-N 2.85Å; T19-N21 VanDerWaalsContact C-N 3.25Å; T19-N21 PolarHBondContact O-N 2.8Å; T19-W22 PolarHBondContact O-N 2.9Å
20K62.9Low69.7Low113 Ų11380.8 Ų80.849%0.49141%0.406SS..Hα-helixtrans-70.3-20.2176.9-68.5178.1175.5162.70113.1E17 W22 E23E17-K20 HydrophobicContact CB-CD 4.31Å; E17-K20 PolarHBondContact O-N 3.25Å; E17-K20 VanDerWaalsContact OE2-CD 3.32Å; E17-K20 WeakPolarHBondContact OE2-CD 3.35Å; E17-K20 WeakPolarHBondContact OE2-CE 3.4Å; E17-K20 IonicContact OE2-NZ 2.96Å; E17-K20 PolarHBondContact OE2-NZ 3.47Å; K20-W22 VanDerWaalsContact C-N 3.35Å; K20-E23 WeakPolarHBondContact O-CB 3.38Å; K20-E23 PolarHBondContact O-N 3.49Å
21N63.4Low70.4Confident18 Ų1881.8 Ų81.810%0.09641%0.413CS..Hα-helixtrans-73.6-25.6175.5-72.3-20.2000113.2I15 L18 T19 I24 K70I15-N21 WeakPolarHBondContact CG2-ND2 3.36Å; L18-N21 PolarHBondContact O-N 2.93Å; T19-N21 VanDerWaalsContact C-N 3.25Å; T19-N21 PolarHBondContact O-N 2.8Å; N21-I24 PolarHBondContact O-N 3.19Å; N21-K70 WeakPolarHBondContact O-CE 3.43Å; N21-K70 PolarHBondContact O-NZ 2.79Å
22W66.5Low71.1Confident129 Ų12985 Ų8549%0.48943%0.43SS..Hα-helixtrans-70.8-25.7173.1-77.596000112T19 K20 I24 L73T19-W22 PolarHBondContact O-N 2.9Å; K20-W22 VanDerWaalsContact C-N 3.35Å; W22-I24 VanDerWaalsContact C-N 3.29Å; W22-L73 HydrophobicContact CZ2-CB 4.34Å
23E66.9Low71.9Confident150 Ų15082.8 Ų82.870%0.70142%0.417SS*.SBendtrans-75.2-19.1176.6-58.9172.5175.700112.4K20 D25K20-E23 WeakPolarHBondContact O-CB 3.38Å; K20-E23 PolarHBondContact O-N 3.49Å; E23-D25 PolarHBondContact O-N 2.95Å
24I76.1Confident72.7Confident25 Ų2581.5 Ų81.513%0.12841%0.413CS..  trans-79.7109.1176.4-57.2171.3000108.9L11 N21 W22 V26 I66 K70L11-I24 HydrophobicContact CD2-CG2 3.9Å; N21-I24 PolarHBondContact O-N 3.19Å; W22-I24 VanDerWaalsContact C-N 3.29Å; I24-V26 HydrophobicContact CG2-CG2 4.2Å; I24-V26 PolarHBondContact O-N 3.3Å; I24-V26 VanDerWaalsContact O-N 3.15Å; I24-I66 HydrophobicContact CD1-CD1 4.18Å; I24-I66 HydrophobicContact CG2-CD1 4.43Å; I24-K70 PolarHBondContact O-NZ 3.21Å
25D78.4Confident73.8Confident92 Ų9282.2 Ų82.249%0.49241%0.409SS..  trans-81.689.7172.9-169.40.4000110.7E23 A27 S28 E29E23-D25 PolarHBondContact O-N 2.95Å; D25-A27 PolarHBondContact O-N 2.9Å; D25-A27 WeakPolarHBondContact OD1-CB 3.44Å; D25-A27 PolarHBondContact OD1-N 3.37Å; D25-S28 WeakPolarHBondContact CB-OG 3.49Å; D25-S28 PolarHBondContact O-N 3.42Å; D25-S28 PolarHBondContact O-OG 2.88Å; D25-S28 PolarHBondContact OD1-N 2.75Å; D25-E29 WeakPolarHBondContact O-CG 3.27Å; D25-E29 PolarHBondContact O-N 3.19Å
26V83.1Confident74.8Confident18 Ų1883.2 Ų83.211%0.10941%0.413CS..Hα-helixtrans-62.6-26178.2-178.10000111.4I24 L30 S63 I66I24-V26 HydrophobicContact CG2-CG2 4.2Å; I24-V26 PolarHBondContact O-N 3.3Å; I24-V26 VanDerWaalsContact O-N 3.15Å; V26-L30 HydrophobicContact CG1-CD1 3.88Å; V26-L30 HydrophobicContact CG1-CG 4.29Å; V26-L30 WeakPolarHBondContact O-CB 3.33Å; V26-L30 VanDerWaalsContact O-CG 3.24Å; V26-L30 WeakPolarHBondContact O-CG 3.28Å; V26-L30 PolarHBondContact O-N 3.43Å; V26-S63 VanDerWaalsContact CG1-CB 3.46Å; V26-I66 HydrophobicContact CG2-CB 4.24Å; V26-I66 HydrophobicContact CG2-CG2 3.76Å
27A84.6Confident75.8Confident69 Ų6975.4 Ų75.457%0.5739%0.387SS*.Hα-helixtrans-73.9-42.3-178.300000111.4D25 N31D25-A27 PolarHBondContact O-N 2.9Å; D25-A27 WeakPolarHBondContact OD1-CB 3.44Å; D25-A27 PolarHBondContact OD1-N 3.37Å; A27-N31 VanDerWaalsContact O-CB 3.3Å; A27-N31 WeakPolarHBondContact O-CB 3.38Å; A27-N31 PolarHBondContact O-N 2.78Å
28S83.9Confident76.7Confident44 Ų4476.6 Ų76.631%0.30840%0.397SS..Hα-helixtrans-65-46.9175.564.50000111.5D25 L30 N31 D32D25-S28 WeakPolarHBondContact CB-OG 3.49Å; D25-S28 PolarHBondContact O-N 3.42Å; D25-S28 PolarHBondContact O-OG 2.88Å; D25-S28 PolarHBondContact OD1-N 2.75Å; S28-L30 VanDerWaalsContact C-N 3.31Å; S28-L30 PolarHBondContact O-N 3.25Å; S28-N31 PolarHBondContact O-N 3.5Å; S28-N31 VanDerWaalsContact O-N 3.09Å; S28-D32 WeakPolarHBondContact O-CB 3.29Å; S28-D32 PolarHBondContact O-N 3.03Å
29E82.2Confident77.5Confident56 Ų5680.5 Ų80.526%0.26241%0.413SS..Hα-helixtrans-62.2-35.2-179.3-67.2-77.9158.100113.1H10 D25 Y33H10-E29 IonicContact CE1-OE1 2.66Å; H10-E29 IonicContact CE1-OE2 3.82Å; H10-E29 IonicContact NE2-OE1 3.96Å; H10-E29 IonicContact NE2-OE2 3.79Å; D25-E29 WeakPolarHBondContact O-CG 3.27Å; D25-E29 PolarHBondContact O-N 3.19Å; E29-Y33 PolarHBondContact O-N 2.96Å
30L85.8Confident77.7Confident61 Ų6178.9 Ų78.932%0.31940%0.398SS..Hα-helixtrans-74.2-36.9174.2-72.7174.4000112.2V26 S28 Y33 L34 L59V26-L30 HydrophobicContact CG1-CD1 3.88Å; V26-L30 HydrophobicContact CG1-CG 4.29Å; V26-L30 WeakPolarHBondContact O-CB 3.33Å; V26-L30 VanDerWaalsContact O-CG 3.24Å; V26-L30 WeakPolarHBondContact O-CG 3.28Å; V26-L30 PolarHBondContact O-N 3.43Å; S28-L30 VanDerWaalsContact C-N 3.31Å; S28-L30 PolarHBondContact O-N 3.25Å; L30-Y33 PolarHBondContact O-N 3.28Å; L30-L34 WeakPolarHBondContact O-CG 3.4Å; L30-L34 PolarHBondContact O-N 3.33Å; L30-L59 HydrophobicContact CD2-CD1 4.34Å; L30-L59 HydrophobicContact CD2-CD2 4.14Å; L30-L59 HydrophobicContact CD2-CG 3.96Å
31N86.6Confident77.1Confident76 Ų7678 Ų7841%0.40641%0.406SS..Hα-helixtrans-66.9-44.7177.4-174.479.1000111.2A27 S28 Y33 L34 E35A27-N31 VanDerWaalsContact O-CB 3.3Å; A27-N31 WeakPolarHBondContact O-CB 3.38Å; A27-N31 PolarHBondContact O-N 2.78Å; S28-N31 PolarHBondContact O-N 3.5Å; S28-N31 VanDerWaalsContact O-N 3.09Å; N31-Y33 VanDerWaalsContact C-N 3.25Å; N31-Y33 PolarHBondContact O-N 3.48Å; N31-L34 WeakPolarHBondContact O-CB 3.44Å; N31-L34 PolarHBondContact O-N 2.86Å; N31-E35 PolarHBondContact ND2-OE1 2.96Å; N31-E35 WeakPolarHBondContact O-CG 3.21Å; N31-E35 PolarHBondContact O-N 3.08Å
32D85.3Confident76.7Confident80 Ų8084.7 Ų84.743%0.42844%0.439SS..Hα-helixtrans-58.5-39.5176.4-64.4-9.5000110.9S28 E35 E36S28-D32 WeakPolarHBondContact O-CB 3.29Å; S28-D32 PolarHBondContact O-N 3.03Å; D32-E35 PolarHBondContact O-N 3.4Å; D32-E36 WeakPolarHBondContact O-CG 3.26Å; D32-E36 PolarHBondContact O-N 3.44Å
33Y84.2Confident75.7Confident27 Ų2782 Ų8211%0.10644%0.437CS..Hα-helixtrans-70.1-36174.9-172.7-106.4000113.4E29 L30 N31 E35 E36 L37 E55 A56 L59E29-Y33 PolarHBondContact O-N 2.96Å; L30-Y33 PolarHBondContact O-N 3.28Å; N31-Y33 VanDerWaalsContact C-N 3.25Å; N31-Y33 PolarHBondContact O-N 3.48Å; Y33-E35 VanDerWaalsContact C-N 3.35Å; Y33-E36 PolarHBondContact O-N 3.26Å; Y33-L37 HydrophobicContact CD1-CD1 3.85Å; Y33-L37 HydrophobicContact CD1-CG 4.21Å; Y33-L37 HydrophobicContact CE1-CD1 3.55Å; Y33-L37 HydrophobicContact CE1-CD2 4.25Å; Y33-L37 HydrophobicContact CE1-CG 3.91Å; Y33-L37 VanDerWaalsContact O-CG 3.32Å; Y33-L37 WeakPolarHBondContact O-CG 3.49Å; Y33-L37 PolarHBondContact O-N 3.13Å; Y33-E55 HydrophobicContact CE2-CG 4.36Å; Y33-A56 HydrophobicContact CE1-CB 4.24Å; Y33-A56 WeakPolarHBondContact OH-CB 3.38Å; Y33-L59 VanDerWaalsContact CB-CD2 3.49Å; Y33-L59 HydrophobicContact CD1-CD2 3.51Å; Y33-L59 HydrophobicContact CD2-CD2 3.87Å; Y33-L59 HydrophobicContact CE1-CD2 4.17Å; Y33-L59 HydrophobicContact CE2-CD2 4.49Å; Y33-L59 HydrophobicContact CG-CD2 3.32Å
34L84.1Confident75Confident100 Ų10084.9 Ų84.952%0.52445%0.448SS..Hα-helixtrans-66.2-38.6174.3-72.7171.3000111.4L30 N31 L37 D38L30-L34 WeakPolarHBondContact O-CG 3.4Å; L30-L34 PolarHBondContact O-N 3.33Å; N31-L34 WeakPolarHBondContact O-CB 3.44Å; N31-L34 PolarHBondContact O-N 2.86Å; L34-L37 HydrophobicContact CD2-CD1 4.34Å; L34-L37 WeakPolarHBondContact O-CB 3.35Å; L34-L37 PolarHBondContact O-N 2.92Å; L34-D38 PolarHBondContact O-N 3.26Å
35E85Confident73.7Confident104 Ų10489.8 Ų89.849%0.48648%0.475SS..Hα-helixtrans-63.6-42.9173-70.2177.9-170.100111.2N31 D32 Y33 L37 D38 E39N31-E35 PolarHBondContact ND2-OE1 2.96Å; N31-E35 WeakPolarHBondContact O-CG 3.21Å; N31-E35 PolarHBondContact O-N 3.08Å; D32-E35 PolarHBondContact O-N 3.4Å; Y33-E35 VanDerWaalsContact C-N 3.35Å; E35-L37 VanDerWaalsContact C-N 3.29Å; E35-L37 PolarHBondContact O-N 3.05Å; E35-D38 PolarHBondContact O-N 3Å; E35-E39 WeakPolarHBondContact O-CG 3.3Å; E35-E39 PolarHBondContact O-N 2.87Å
36E80.3Confident72.5Confident68 Ų6889.3 Ų89.332%0.31849%0.491SS..Hα-helixtrans-59.3-38.8172.1-74.4-173.7171.700111.9R7 D32 Y33 E39 M40R7-E36 IonicContact CZ-OE1 2.99Å; R7-E36 VanDerWaalsContact CZ-OE1 3.26Å; R7-E36 IonicContact CZ-OE2 2.83Å; R7-E36 VanDerWaalsContact NH1-CD 3.35Å; R7-E36 IonicContact NH1-OE1 3.43Å; R7-E36 PolarHBondContact NH1-OE1 3.4Å; R7-E36 IonicContact NH1-OE2 2.8Å; R7-E36 PolarHBondContact NH1-OE2 2.79Å; R7-E36 IonicContact NH2-OE1 3.26Å; R7-E36 PolarHBondContact NH2-OE1 2.68Å; R7-E36 IonicContact NH2-OE2 3.83Å; D32-E36 WeakPolarHBondContact O-CG 3.26Å; D32-E36 PolarHBondContact O-N 3.44Å; Y33-E36 PolarHBondContact O-N 3.26Å; E36-E39 PolarHBondContact O-N 2.91Å; E36-M40 VanDerWaalsContact O-CG 3.26Å; E36-M40 WeakPolarHBondContact O-CG 3.43Å; E36-M40 PolarHBondContact O-N 2.89Å
37L79.1Confident71.1Confident51 Ų5190.8 Ų90.827%0.26751%0.51SS..Hα-helixtrans-68.1-35.7176.8-73.9176.7000113.1Y33 L34 E35 M40 L51Y33-L37 HydrophobicContact CD1-CD1 3.85Å; Y33-L37 HydrophobicContact CD1-CG 4.21Å; Y33-L37 HydrophobicContact CE1-CD1 3.55Å; Y33-L37 HydrophobicContact CE1-CD2 4.25Å; Y33-L37 HydrophobicContact CE1-CG 3.91Å; Y33-L37 VanDerWaalsContact O-CG 3.32Å; Y33-L37 WeakPolarHBondContact O-CG 3.49Å; Y33-L37 PolarHBondContact O-N 3.13Å; L34-L37 HydrophobicContact CD2-CD1 4.34Å; L34-L37 WeakPolarHBondContact O-CB 3.35Å; L34-L37 PolarHBondContact O-N 2.92Å; E35-L37 VanDerWaalsContact C-N 3.29Å; E35-L37 PolarHBondContact O-N 3.05Å; L37-M40 WeakPolarHBondContact O-CB 3.22Å; L37-M40 PolarHBondContact O-N 2.8Å; L37-L51 HydrophobicContact CD2-CD2 3.39Å
38D76Confident69.6Low133 Ų13398.8 Ų98.871%0.71153%0.525SS*.Hα-helixtrans-71.4-34.1176.4-80.2-13.2000111.7L34 E35 M40L34-D38 PolarHBondContact O-N 3.26Å; E35-D38 PolarHBondContact O-N 3Å; D38-M40 VanDerWaalsContact C-N 3.31Å
39E72.5Confident68.3Low164 Ų164100.6 Ų100.677%0.76654%0.535SS*.Hα-helixtrans-70-26.8171.5-70.9-174.3176.200112.8E35 E36 C41E35-E39 WeakPolarHBondContact O-CG 3.3Å; E35-E39 PolarHBondContact O-N 2.87Å; E36-E39 PolarHBondContact O-N 2.91Å; E39-C41 PolarHBondContact O-N 3.39Å
40M65.7Low67.2Low79 Ų79108 Ų10839%0.38956%0.56SS.*  trans-73.660.8172.4-72.7-177.671.200111.9E36 L37 D38 I42 L51E36-M40 VanDerWaalsContact O-CG 3.26Å; E36-M40 WeakPolarHBondContact O-CG 3.43Å; E36-M40 PolarHBondContact O-N 2.89Å; L37-M40 WeakPolarHBondContact O-CB 3.22Å; L37-M40 PolarHBondContact O-N 2.8Å; D38-M40 VanDerWaalsContact C-N 3.31Å; M40-I42 PolarHBondContact O-N 3.13Å; M40-L51 HydrophobicContact CE-CD2 4.23Å
41C50.3Low66.3Low95 Ų95109.1 Ų109.164%0.64257%0.566SS**  trans-57.9126.2169-75.30000110.3E39 T43E39-C41 PolarHBondContact O-N 3.39Å; C41-T43 VanDerWaalsContact C-N 3.35Å; C41-T43 PolarHBondContact O-N 2.99Å
42I54.9Low65.8Low157 Ų157108.5 Ų108.581%0.80556%0.563SS**  trans-58.391.2178.2-57.7166.4000109.2M40M40-I42 PolarHBondContact O-N 3.13Å
43T45.3Very low65.7Low73 Ų73112.1 Ų112.145%0.44858%0.575SS.*  trans-78.8130.8171.749.60000109.1C41 D45 T49C41-T43 VanDerWaalsContact C-N 3.35Å; C41-T43 PolarHBondContact O-N 2.99Å; T43-D45 PolarHBondContact O-N 3.34Å; T43-T49 PolarHBondContact OG1-OG1 3.39Å
44F51Low65.5Low211 Ų211113.9 Ų113.993%0.92560%0.595SS**  trans-68.230.7171.8-92.4-94.6000112.6G46F44-G46 PolarHBondContact O-N 3.23Å; F44-G46 VanDerWaalsContact O-N 3.17Å
45D50.6Low65.3Low128 Ų128110.2 Ų110.268%0.68458%0.575SS**SBendtrans-90.142.5-176.9-104.5-0.3000112T43 G47T43-D45 PolarHBondContact O-N 3.34Å; D45-G47 VanDerWaalsContact C-N 3.32Å; D45-G47 PolarHBondContact O-N 3.32Å
46G51.7Low65.2Low82 Ų82106.1 Ų106.185%0.84556%0.559SS**THydrogen-bonded Turntrans65.228.2170.900000115.4F44F44-G46 PolarHBondContact O-N 3.23Å; F44-G46 VanDerWaalsContact O-N 3.17Å
47G54.1Low65.3Low48 Ų48105.4 Ų105.450%0.49557%0.565SS.*THydrogen-bonded Turntrans79.431.4168.500000115.7D45 R50D45-G47 VanDerWaalsContact C-N 3.32Å; D45-G47 PolarHBondContact O-N 3.32Å; G47-R50 WeakPolarHBondContact O-CD 3.41Å; G47-R50 VanDerWaalsContact O-CG 3.31Å; G47-R50 WeakPolarHBondContact O-CG 3.19Å
48R54.1Low65.5Low237 Ų237105.6 Ų105.689%0.89457%0.566SS**SBendtrans-80.6-29.9174.4-110.2170175126.2-2.5114.1
49T56.7Low65.9Low82 Ų8299.3 Ų99.350%0.50353%0.533SS..SBendtrans-99.476.6173.142.40000109.5T43T43-T49 PolarHBondContact OG1-OG1 3.39Å
50R58.9Low66.6Low211 Ų21196.4 Ų96.480%0.79652%0.521SS*.  trans-87.8123.8172.4-65175.273.5174.52.3107.6G47 N52G47-R50 WeakPolarHBondContact O-CD 3.41Å; G47-R50 VanDerWaalsContact O-CG 3.31Å; G47-R50 WeakPolarHBondContact O-CG 3.19Å; R50-N52 PolarHBondContact O-N 3.45Å
51L67Low67.6Low85 Ų8599 Ų9945%0.44553%0.532SS..  trans-42.4125.2169.9-71.2161.1000109.9L37 M40 F53L37-L51 HydrophobicContact CD2-CD2 3.39Å; M40-L51 HydrophobicContact CE-CD2 4.23Å; L51-F53 HydrophobicContact CB-CE2 4.27Å; L51-F53 HydrophobicContact CB-CZ 4.24Å; L51-F53 WeakPolarHBondContact O-CD2 3.35Å; L51-F53 PolarHBondContact O-N 2.84Å
52N76Confident69.2Low63 Ų6394.7 Ų94.734%0.33750%0.504SS..  trans-80.883.4-177.7-172-2.6000110.2R50 A54 E55 A56R50-N52 PolarHBondContact O-N 3.45Å; N52-A54 PolarHBondContact O-N 2.9Å; N52-A54 PolarHBondContact OD1-N 3.15Å; N52-E55 HydrophobicContact CB-CB 3.98Å; N52-E55 VanDerWaalsContact CG-CB 3.47Å; N52-E55 VanDerWaalsContact ND2-CB 3.34Å; N52-E55 WeakPolarHBondContact ND2-CB 3.36Å; N52-E55 PolarHBondContact ND2-OE2 2.81Å; N52-E55 PolarHBondContact O-N 3.38Å; N52-E55 VanDerWaalsContact O-N 3.16Å; N52-E55 PolarHBondContact OD1-N 3.25Å; N52-A56 PolarHBondContact O-N 3.27Å
53F81.4Confident70.7Confident156 Ų15687.6 Ų87.668%0.68447%0.469SS*.Hα-helixtrans-60.6-27.1179.9-67.6-73000113.7L51 A57L51-F53 HydrophobicContact CB-CE2 4.27Å; L51-F53 HydrophobicContact CB-CZ 4.24Å; L51-F53 WeakPolarHBondContact O-CD2 3.35Å; L51-F53 PolarHBondContact O-N 2.84Å; F53-A57 WeakPolarHBondContact O-CB 3.4Å; F53-A57 PolarHBondContact O-N 2.72Å
54A80.6Confident72.7Confident64 Ų6487.7 Ų87.753%0.52947%0.469SS..Hα-helixtrans-69.4-40.2177.300000111.4N52 L58N52-A54 PolarHBondContact O-N 2.9Å; N52-A54 PolarHBondContact OD1-N 3.15Å; A54-L58 WeakPolarHBondContact O-CG 3.23Å; A54-L58 PolarHBondContact O-N 2.82Å; A54-L58 VanDerWaalsContact O-N 3.1Å
55E79.4Confident74.3Confident23 Ų2380.4 Ų80.411%0.10744%0.444CS..Hα-helixtrans-68.2-45.3174.3-175.1175.8177.500111.7T4 R7 Y8 Y33 N52 A57 L58 L59T4-E55 HydrophobicContact CG2-CB 4.22Å; T4-E55 HydrophobicContact CG2-CG 4.16Å; R7-E55 IonicContact NH1-OE1 3.33Å; R7-E55 PolarHBondContact NH1-OE1 2.98Å; Y8-E55 HydrophobicContact CD2-CG 4.26Å; Y8-E55 HydrophobicContact CE2-CG 3.53Å; Y8-E55 WeakPolarHBondContact CE2-OE1 3.18Å; Y8-E55 PolarHBondContact OH-OE1 3.45Å; Y33-E55 HydrophobicContact CE2-CG 4.36Å; N52-E55 HydrophobicContact CB-CB 3.98Å; N52-E55 VanDerWaalsContact CG-CB 3.47Å; N52-E55 VanDerWaalsContact ND2-CB 3.34Å; N52-E55 WeakPolarHBondContact ND2-CB 3.36Å; N52-E55 PolarHBondContact ND2-OE2 2.81Å; N52-E55 PolarHBondContact O-N 3.38Å; N52-E55 VanDerWaalsContact O-N 3.16Å; N52-E55 PolarHBondContact OD1-N 3.25Å; E55-A57 VanDerWaalsContact C-N 3.32Å; E55-A57 PolarHBondContact O-N 3.01Å; E55-L58 PolarHBondContact O-N 3.45Å; E55-L59 WeakPolarHBondContact O-CB 3.41Å; E55-L59 PolarHBondContact O-N 3.34Å
56A82.8Confident75.9Confident18 Ų1874.5 Ų74.515%0.14941%0.412CS..Hα-helixtrans-57.4-44.8174.800000111.8Y33 N52 L59 I60Y33-A56 HydrophobicContact CE1-CB 4.24Å; Y33-A56 WeakPolarHBondContact OH-CB 3.38Å; N52-A56 PolarHBondContact O-N 3.27Å; A56-L59 PolarHBondContact O-N 2.89Å; A56-I60 WeakPolarHBondContact O-CB 3.41Å; A56-I60 WeakPolarHBondContact O-CD1 3.39Å; A56-I60 WeakPolarHBondContact O-CG1 3.29Å; A56-I60 PolarHBondContact O-N 2.84Å
57A83.4Confident77.5Confident54 Ų5477.8 Ų77.845%0.44640%0.4SS..Hα-helixtrans-63.9-43.2179.100000112F53 E55 Q61F53-A57 WeakPolarHBondContact O-CB 3.4Å; F53-A57 PolarHBondContact O-N 2.72Å; E55-A57 VanDerWaalsContact C-N 3.32Å; E55-A57 PolarHBondContact O-N 3.01Å; A57-Q61 WeakPolarHBondContact O-CB 3.42Å; A57-Q61 PolarHBondContact O-N 3.13Å
58L82.5Confident79.1Confident54 Ų5478.1 Ų78.128%0.28340%0.395SS..Hα-helixtrans-64.8-42.3177.1-75.9169.8000112L12 A54 E55 Q61 G62L12-L58 HydrophobicContact CD1-CD2 4.49Å; L12-L58 HydrophobicContact CD2-CD2 4.05Å; A54-L58 WeakPolarHBondContact O-CG 3.23Å; A54-L58 PolarHBondContact O-N 2.82Å; A54-L58 VanDerWaalsContact O-N 3.1Å; E55-L58 PolarHBondContact O-N 3.45Å; L58-Q61 PolarHBondContact O-N 2.84Å; L58-G62 PolarHBondContact O-N 3.13Å
59L83.9Confident80.5Confident2 Ų270.2 Ų70.21%0.0137%0.367CS..Hα-helixtrans-63.7-47.4177.7-179.960.8000111.4Y8 L11 L30 Y33 E55 A56 Q61 G62 S63Y8-L59 HydrophobicContact CD1-CD1 3.74Å; Y8-L59 HydrophobicContact CE1-CD1 3.62Å; Y8-L59 HydrophobicContact CE1-CD2 4.39Å; Y8-L59 HydrophobicContact CE1-CG 4.48Å; Y8-L59 HydrophobicContact CG-CD1 4.46Å; L11-L59 HydrophobicContact CD1-CD1 3.49Å; L11-L59 VanDerWaalsContact CD1-CD1 3.49Å; L30-L59 HydrophobicContact CD2-CD1 4.34Å; L30-L59 HydrophobicContact CD2-CD2 4.14Å; L30-L59 HydrophobicContact CD2-CG 3.96Å; Y33-L59 VanDerWaalsContact CB-CD2 3.49Å; Y33-L59 HydrophobicContact CD1-CD2 3.51Å; Y33-L59 HydrophobicContact CD2-CD2 3.87Å; Y33-L59 HydrophobicContact CE1-CD2 4.17Å; Y33-L59 HydrophobicContact CE2-CD2 4.49Å; Y33-L59 HydrophobicContact CG-CD2 3.32Å; E55-L59 WeakPolarHBondContact O-CB 3.41Å; E55-L59 PolarHBondContact O-N 3.34Å; A56-L59 PolarHBondContact O-N 2.89Å; L59-Q61 PolarHBondContact O-N 2.91Å; L59-G62 PolarHBondContact O-N 3.16Å; L59-S63 VanDerWaalsContact O-CB 3.25Å; L59-S63 WeakPolarHBondContact O-CB 3.4Å; L59-S63 PolarHBondContact O-N 3.42Å; L59-S63 PolarHBondContact O-OG 3.36Å
60I88.6Confident81.9Confident102 Ų10268.2 Ų68.252%0.52335%0.351SS..Hα-helixtrans-62.8-44.2177.5-69.5167.3000110.7A56 S63 T64A56-I60 WeakPolarHBondContact O-CB 3.41Å; A56-I60 WeakPolarHBondContact O-CD1 3.39Å; A56-I60 WeakPolarHBondContact O-CG1 3.29Å; A56-I60 PolarHBondContact O-N 2.84Å; I60-S63 WeakPolarHBondContact CA-OG 3.27Å; I60-S63 PolarHBondContact O-OG 3.32Å; I60-T64 VanDerWaalsContact O-CB 3.24Å; I60-T64 WeakPolarHBondContact O-CB 3.32Å; I60-T64 PolarHBondContact O-N 2.95Å; I60-T64 PolarHBondContact O-OG1 3.36Å
61Q86.8Confident83.3Confident134 Ų13461.5 Ų61.563%0.62633%0.334SS*.Hα-helixtrans-64.1-46.3179.3-177-175.7-29.200111.7A57 L58 L59 C65A57-Q61 WeakPolarHBondContact O-CB 3.42Å; A57-Q61 PolarHBondContact O-N 3.13Å; L58-Q61 PolarHBondContact O-N 2.84Å; L59-Q61 PolarHBondContact O-N 2.91Å; Q61-C65 WeakPolarHBondContact O-CB 3.45Å; Q61-C65 PolarHBondContact O-N 2.83Å; Q61-C65 VanDerWaalsContact O-N 3.12Å
62G83.3Confident84.3Confident5 Ų563.4 Ų63.45%0.05234%0.34CS..Hα-helixtrans-64.6-50.1179.300000112.3L58 L59 T64 C65 I66L58-G62 PolarHBondContact O-N 3.13Å; L59-G62 PolarHBondContact O-N 3.16Å; G62-T64 PolarHBondContact O-N 3.29Å; G62-C65 PolarHBondContact O-N 3.44Å; G62-I66 WeakPolarHBondContact O-CG1 3.45Å; G62-I66 PolarHBondContact O-N 2.87Å
63S86.8Confident84.6Confident8 Ų862.4 Ų62.46%0.05634%0.335CS..Hα-helixtrans-60.1-45178.755.20000112.5V26 L59 I60 C65 I66 Y67V26-S63 VanDerWaalsContact CG1-CB 3.46Å; L59-S63 VanDerWaalsContact O-CB 3.25Å; L59-S63 WeakPolarHBondContact O-CB 3.4Å; L59-S63 PolarHBondContact O-N 3.42Å; L59-S63 PolarHBondContact O-OG 3.36Å; I60-S63 WeakPolarHBondContact CA-OG 3.27Å; I60-S63 PolarHBondContact O-OG 3.32Å; S63-C65 PolarHBondContact O-N 2.84Å; S63-I66 PolarHBondContact O-N 3.05Å; S63-Y67 WeakPolarHBondContact O-CB 3.39Å; S63-Y67 PolarHBondContact O-N 3.37Å
64T88Confident84.9Confident75 Ų7559.4 Ų59.446%0.4633%0.325SS..Hα-helixtrans-63.2-43.1178.1-55.80000111.5I60 G62 I66 Y67 S68I60-T64 VanDerWaalsContact O-CB 3.24Å; I60-T64 WeakPolarHBondContact O-CB 3.32Å; I60-T64 PolarHBondContact O-N 2.95Å; I60-T64 PolarHBondContact O-OG1 3.36Å; G62-T64 PolarHBondContact O-N 3.29Å; T64-I66 PolarHBondContact O-N 2.87Å; T64-Y67 PolarHBondContact O-N 3.43Å; T64-S68 PolarHBondContact O-N 3.43Å; T64-S68 PolarHBondContact O-OG 2.77Å; T64-S68 VanDerWaalsContact O-OG 3.06Å
65C83.8Confident85.4Confident58 Ų5861.5 Ų61.539%0.39232%0.324SS..Hα-helixtrans-61.6-42.5178-176.50000112.2Q61 G62 S63 K69Q61-C65 WeakPolarHBondContact O-CB 3.45Å; Q61-C65 PolarHBondContact O-N 2.83Å; Q61-C65 VanDerWaalsContact O-N 3.12Å; G62-C65 PolarHBondContact O-N 3.44Å; S63-C65 PolarHBondContact O-N 2.84Å; C65-K69 PolarHBondContact O-N 2.83Å
66I83.6Confident85.9Confident3 Ų363.6 Ų63.62%0.01534%0.341CS..Hα-helixtrans-69.2-43.7178.1-65.5169.4000110.6L11 I24 V26 G62 S63 T64 K69 K70L11-I66 HydrophobicContact CB-CD1 4.33Å; L11-I66 HydrophobicContact CD2-CD1 3.42Å; L11-I66 VanDerWaalsContact CD2-CD1 3.42Å; L11-I66 HydrophobicContact CG-CD1 4.49Å; I24-I66 HydrophobicContact CD1-CD1 4.18Å; I24-I66 HydrophobicContact CG2-CD1 4.43Å; V26-I66 HydrophobicContact CG2-CB 4.24Å; V26-I66 HydrophobicContact CG2-CG2 3.76Å; G62-I66 WeakPolarHBondContact O-CG1 3.45Å; G62-I66 PolarHBondContact O-N 2.87Å; S63-I66 PolarHBondContact O-N 3.05Å; T64-I66 PolarHBondContact O-N 2.87Å; I66-K69 PolarHBondContact O-N 3.45Å; I66-K70 HydrophobicContact CG2-CD 4.42Å; I66-K70 HydrophobicContact CG2-CG 4.45Å; I66-K70 WeakPolarHBondContact O-CG 3.19Å; I66-K70 PolarHBondContact O-N 3.24Å
67Y86.4Confident86.2Confident151 Ų15167.1 Ų67.159%0.59236%0.357SS*.Hα-helixtrans-59.3-49.1178.4179.5-97.6000112S63 T64 K69 K70 V71S63-Y67 WeakPolarHBondContact O-CB 3.39Å; S63-Y67 PolarHBondContact O-N 3.37Å; T64-Y67 PolarHBondContact O-N 3.43Å; Y67-K69 PolarHBondContact O-N 2.9Å; Y67-K70 WeakPolarHBondContact O-CB 3.25Å; Y67-K70 PolarHBondContact O-N 3.3Å; Y67-V71 HydrophobicContact CD1-CG2 4.23Å; Y67-V71 HydrophobicContact CE1-CG2 3.77Å; Y67-V71 HydrophobicContact CE2-CG2 4.31Å; Y67-V71 WeakPolarHBondContact O-CG2 3.27Å; Y67-V71 PolarHBondContact O-N 2.89Å
68S87.4Confident86.7Confident55 Ų5568.1 Ų68.139%0.38536%0.357SS..Hα-helixtrans-55.2-42177.4-63.10000112T64 V71 E72T64-S68 PolarHBondContact O-N 3.43Å; T64-S68 PolarHBondContact O-OG 2.77Å; T64-S68 VanDerWaalsContact O-OG 3.06Å; S68-V71 PolarHBondContact O-N 3.08Å; S68-E72 WeakPolarHBondContact O-CG 3.26Å; S68-E72 PolarHBondContact O-N 3.49Å
69K83.3Confident87Confident72 Ų7271 Ų7131%0.31337%0.368SS..Hα-helixtrans-70.6-35.8177.7-75.4171.8172-172.30113.3I15 C65 I66 Y67 V71 E72 L73I15-K69 HydrophobicContact CB-CD 4.48Å; I15-K69 HydrophobicContact CD1-CD 3.28Å; I15-K69 HydrophobicContact CG1-CD 4.38Å; I15-K69 HydrophobicContact CG2-CD 4.13Å; C65-K69 PolarHBondContact O-N 2.83Å; I66-K69 PolarHBondContact O-N 3.45Å; Y67-K69 PolarHBondContact O-N 2.9Å; K69-V71 VanDerWaalsContact C-N 3.29Å; K69-V71 PolarHBondContact O-N 3.12Å; K69-E72 PolarHBondContact O-N 3.26Å; K69-L73 WeakPolarHBondContact O-CB 3.36Å; K69-L73 VanDerWaalsContact O-CG 3.28Å; K69-L73 WeakPolarHBondContact O-CG 3.32Å; K69-L73 PolarHBondContact O-N 2.84Å
70K86Confident87.4Confident39 Ų3977.2 Ų77.217%0.1740%0.396CS..Hα-helixtrans-60.8-41.1172-74.3-174.2178.3-170.40110.9N21 I24 I66 Y67 L73 L74N21-K70 WeakPolarHBondContact O-CE 3.43Å; N21-K70 PolarHBondContact O-NZ 2.79Å; I24-K70 PolarHBondContact O-NZ 3.21Å; I66-K70 HydrophobicContact CG2-CD 4.42Å; I66-K70 HydrophobicContact CG2-CG 4.45Å; I66-K70 WeakPolarHBondContact O-CG 3.19Å; I66-K70 PolarHBondContact O-N 3.24Å; Y67-K70 WeakPolarHBondContact O-CB 3.25Å; Y67-K70 PolarHBondContact O-N 3.3Å; K70-L73 PolarHBondContact O-N 3.16Å; K70-L74 WeakPolarHBondContact O-CB 3.22Å; K70-L74 PolarHBondContact O-N 3.38Å
71V89.2Confident87.5Confident71 Ų7175.4 Ų75.443%0.4339%0.39SS..Hα-helixtrans-66.3-47.3176.81750000111.6Y67 S68 K69 L73 L74 H75Y67-V71 HydrophobicContact CD1-CG2 4.23Å; Y67-V71 HydrophobicContact CE1-CG2 3.77Å; Y67-V71 HydrophobicContact CE2-CG2 4.31Å; Y67-V71 WeakPolarHBondContact O-CG2 3.27Å; Y67-V71 PolarHBondContact O-N 2.89Å; S68-V71 PolarHBondContact O-N 3.08Å; K69-V71 VanDerWaalsContact C-N 3.29Å; K69-V71 PolarHBondContact O-N 3.12Å; V71-L73 PolarHBondContact O-N 3.4Å; V71-L74 PolarHBondContact O-N 2.95Å; V71-H75 WeakPolarHBondContact O-CB 3.49Å; V71-H75 PolarHBondContact O-N 2.81Å
72E86.4Confident87.8Confident124 Ų12473.8 Ų73.858%0.57939%0.385SS*.Hα-helixtrans-58.1-37.4175.7-74.3175-175.400112.2S68 K69 S76S68-E72 WeakPolarHBondContact O-CG 3.26Å; S68-E72 PolarHBondContact O-N 3.49Å; K69-E72 PolarHBondContact O-N 3.26Å; E72-S76 WeakPolarHBondContact O-CB 3.46Å; E72-S76 PolarHBondContact O-N 2.86Å; E72-S76 PolarHBondContact O-OG 2.82Å
73L83.9Confident88.1Confident43 Ų4379.1 Ų79.123%0.22541%0.409CS..Hα-helixtrans-70.9-45.4177.2-79169.4000113.1L18 W22 K69 K70 V71 H75 S76 L77L18-L73 HydrophobicContact CB-CD1 4.12Å; L18-L73 HydrophobicContact CD2-CD1 3.68Å; L18-L73 HydrophobicContact CD2-CD2 3.32Å; L18-L73 HydrophobicContact CD2-CG 3.89Å; L18-L73 HydrophobicContact CG-CD1 3.96Å; L18-L73 HydrophobicContact CG-CD2 4.45Å; W22-L73 HydrophobicContact CZ2-CB 4.34Å; K69-L73 WeakPolarHBondContact O-CB 3.36Å; K69-L73 VanDerWaalsContact O-CG 3.28Å; K69-L73 WeakPolarHBondContact O-CG 3.32Å; K69-L73 PolarHBondContact O-N 2.84Å; K70-L73 PolarHBondContact O-N 3.16Å; V71-L73 PolarHBondContact O-N 3.4Å; L73-H75 VanDerWaalsContact C-N 3.27Å; L73-H75 PolarHBondContact O-N 3.43Å; L73-S76 PolarHBondContact O-N 3.31Å; L73-L77 VanDerWaalsContact O-CB 3.31Å; L73-L77 WeakPolarHBondContact O-CB 3.46Å; L73-L77 PolarHBondContact O-N 3.4Å
74L87.8Confident88.3Confident92 Ų9285.3 Ų85.348%0.48244%0.435SS..Hα-helixtrans-59.2-45.1175.8-177.965.1000110.2K70 V71 S76 L77 V78K70-L74 WeakPolarHBondContact O-CB 3.22Å; K70-L74 PolarHBondContact O-N 3.38Å; V71-L74 PolarHBondContact O-N 2.95Å; L74-S76 PolarHBondContact O-N 2.91Å; L74-L77 PolarHBondContact O-N 2.88Å; L74-V78 HydrophobicContact CD1-CG2 4.47Å; L74-V78 WeakPolarHBondContact O-CB 3.3Å; L74-V78 VanDerWaalsContact O-CG2 3.25Å; L74-V78 WeakPolarHBondContact O-CG2 3.48Å; L74-V78 PolarHBondContact O-N 3.44Å
75H90.1Very high88.5Confident109 Ų10986.8 Ų86.851%0.50544%0.439SS..Hα-helixtrans-56.7-52.5174.2179.4-84.8000110.7V71 L73 L77 V78 F79V71-H75 WeakPolarHBondContact O-CB 3.49Å; V71-H75 PolarHBondContact O-N 2.81Å; L73-H75 VanDerWaalsContact C-N 3.27Å; L73-H75 PolarHBondContact O-N 3.43Å; H75-L77 VanDerWaalsContact C-N 3.32Å; H75-L77 PolarHBondContact O-N 2.78Å; H75-V78 PolarHBondContact O-N 3.43Å; H75-F79 AromaticContact CD2-CE2 3.65Å; H75-F79 AromaticContact CE1-CD2 3.39Å; H75-F79 WeakPolarHBondContact CE1-CD2 3.48Å; H75-F79 AromaticContact CE1-CE2 3.25Å; H75-F79 WeakPolarHBondContact CE1-CE2 3.24Å; H75-F79 AromaticContact ND1-CD2 3.62Å; H75-F79 AromaticContact ND1-CE2 3.89Å; H75-F79 AromaticContact NE2-CD2 3.67Å; H75-F79 AromaticContact NE2-CE2 3.09Å; H75-F79 WeakPolarHBondContact NE2-CE2 3.39Å; H75-F79 AromaticContact NE2-CZ 3.95Å; H75-F79 VanDerWaalsContact O-CD2 3.28Å; H75-F79 WeakPolarHBondContact O-CD2 3.29Å; H75-F79 PolarHBondContact O-N 2.97Å
76S89.4Confident88.6Confident66 Ų6685.9 Ų85.946%0.46243%0.434SS..Hα-helixtrans-59-41178.9-57.90000112.7E72 L73 L74 F79 Q80E72-S76 WeakPolarHBondContact O-CB 3.46Å; E72-S76 PolarHBondContact O-N 2.86Å; E72-S76 PolarHBondContact O-OG 2.82Å; L73-S76 PolarHBondContact O-N 3.31Å; L74-S76 PolarHBondContact O-N 2.91Å; S76-F79 PolarHBondContact O-N 3.23Å; S76-Q80 WeakPolarHBondContact O-CB 3.33Å; S76-Q80 PolarHBondContact O-N 3.25Å
77L89.5Confident88.8Confident92 Ų9288.3 Ų88.348%0.48245%0.446SS..Hα-helixtrans-65.5-42.4177.3-177.765.4000111.8L73 L74 H75 F79 Q80 T81L73-L77 VanDerWaalsContact O-CB 3.31Å; L73-L77 WeakPolarHBondContact O-CB 3.46Å; L73-L77 PolarHBondContact O-N 3.4Å; L74-L77 PolarHBondContact O-N 2.88Å; H75-L77 VanDerWaalsContact C-N 3.32Å; H75-L77 PolarHBondContact O-N 2.78Å; L77-F79 VanDerWaalsContact C-N 3.35Å; L77-Q80 PolarHBondContact O-N 2.95Å; L77-T81 HydrophobicContact CD1-CG2 4.4Å; L77-T81 WeakPolarHBondContact O-CB 3.49Å; L77-T81 VanDerWaalsContact O-CG2 3.3Å; L77-T81 WeakPolarHBondContact O-CG2 3.43Å; L77-T81 PolarHBondContact O-N 2.91Å; L77-T81 PolarHBondContact O-OG1 2.85Å
78V93.3Very high88.4Confident75 Ų7585.5 Ų85.546%0.45544%0.442SS..Hα-helixtrans-62.6-43.7175.3170.30000110.5L74 H75 T81 L82L74-V78 HydrophobicContact CD1-CG2 4.47Å; L74-V78 WeakPolarHBondContact O-CB 3.3Å; L74-V78 VanDerWaalsContact O-CG2 3.25Å; L74-V78 WeakPolarHBondContact O-CG2 3.48Å; L74-V78 PolarHBondContact O-N 3.44Å; H75-V78 PolarHBondContact O-N 3.43Å; V78-T81 WeakPolarHBondContact CA-OG1 3.35Å; V78-T81 PolarHBondContact O-N 2.99Å; V78-T81 PolarHBondContact O-OG1 3.45Å; V78-L82 VanDerWaalsContact O-CB 3.24Å; V78-L82 WeakPolarHBondContact O-CB 3.22Å; V78-L82 PolarHBondContact O-N 3.04Å
79F90Very high88.1Confident116 Ų11688.8 Ų88.851%0.50945%0.449SS..Hα-helixtrans-66.1-40.9176.8-87.8-86.3000112.4H75 S76 L77 L82 E83H75-F79 AromaticContact CD2-CE2 3.65Å; H75-F79 AromaticContact CE1-CD2 3.39Å; H75-F79 WeakPolarHBondContact CE1-CD2 3.48Å; H75-F79 AromaticContact CE1-CE2 3.25Å; H75-F79 WeakPolarHBondContact CE1-CE2 3.24Å; H75-F79 AromaticContact ND1-CD2 3.62Å; H75-F79 AromaticContact ND1-CE2 3.89Å; H75-F79 AromaticContact NE2-CD2 3.67Å; H75-F79 AromaticContact NE2-CE2 3.09Å; H75-F79 WeakPolarHBondContact NE2-CE2 3.39Å; H75-F79 AromaticContact NE2-CZ 3.95Å; H75-F79 VanDerWaalsContact O-CD2 3.28Å; H75-F79 WeakPolarHBondContact O-CD2 3.29Å; H75-F79 PolarHBondContact O-N 2.97Å; S76-F79 PolarHBondContact O-N 3.23Å; L77-F79 VanDerWaalsContact C-N 3.35Å; F79-L82 PolarHBondContact O-N 3.4Å; F79-E83 WeakPolarHBondContact O-CB 3.49Å; F79-E83 PolarHBondContact O-N 3.11Å
80Q91.9Very high88.1Confident131 Ų13191.5 Ų91.561%0.61246%0.461SS*.Hα-helixtrans-66.3-40177.6-171178.212.100112.1S76 L77 E83 F84S76-Q80 WeakPolarHBondContact O-CB 3.33Å; S76-Q80 PolarHBondContact O-N 3.25Å; L77-Q80 PolarHBondContact O-N 2.95Å; Q80-E83 PolarHBondContact O-N 3.07Å; Q80-F84 WeakPolarHBondContact O-CB 3.39Å; Q80-F84 PolarHBondContact O-N 3.02Å
81T90.9Very high87.8Confident65 Ų6598 Ų9840%0.39948%0.484SS..Hα-helixtrans-68.7-39.3175.150.40000111.6L77 V78 F84 I85L77-T81 HydrophobicContact CD1-CG2 4.4Å; L77-T81 WeakPolarHBondContact O-CB 3.49Å; L77-T81 VanDerWaalsContact O-CG2 3.3Å; L77-T81 WeakPolarHBondContact O-CG2 3.43Å; L77-T81 PolarHBondContact O-N 2.91Å; L77-T81 PolarHBondContact O-OG1 2.85Å; V78-T81 WeakPolarHBondContact CA-OG1 3.35Å; V78-T81 PolarHBondContact O-N 2.99Å; V78-T81 PolarHBondContact O-OG1 3.45Å; T81-F84 PolarHBondContact O-N 3.43Å; T81-I85 WeakPolarHBondContact O-CB 3.48Å; T81-I85 WeakPolarHBondContact O-CD1 3.25Å; T81-I85 WeakPolarHBondContact O-CG1 3.43Å; T81-I85 PolarHBondContact O-N 3.35Å
82L92.4Very high87Confident99 Ų9997.9 Ų97.952%0.51849%0.486SS..Hα-helixtrans-63.4-42.1173.7-172.4149.2000111.6V78 F79 I85 S86V78-L82 VanDerWaalsContact O-CB 3.24Å; V78-L82 WeakPolarHBondContact O-CB 3.22Å; V78-L82 PolarHBondContact O-N 3.04Å; F79-L82 PolarHBondContact O-N 3.4Å; L82-I85 PolarHBondContact O-N 2.84Å; L82-S86 VanDerWaalsContact O-CB 3.29Å; L82-S86 WeakPolarHBondContact O-CB 3.38Å; L82-S86 PolarHBondContact O-N 3.21Å
83E90.1Very high86.4Confident117 Ų117101.2 Ų101.255%0.54749%0.494SS..Hα-helixtrans-62.4-46.1174.4-171.6171.3-155.100110.7F79 Q80 I85 S86 D87F79-E83 WeakPolarHBondContact O-CB 3.49Å; F79-E83 PolarHBondContact O-N 3.11Å; Q80-E83 PolarHBondContact O-N 3.07Å; E83-I85 PolarHBondContact O-N 2.99Å; E83-S86 PolarHBondContact O-N 3.36Å; E83-S86 VanDerWaalsContact O-N 3.16Å; E83-S86 PolarHBondContact O-OG 3.38Å; E83-D87 WeakPolarHBondContact O-CB 3.38Å; E83-D87 PolarHBondContact O-N 2.97Å
84F90.4Very high85.8Confident139 Ų139101.5 Ų101.561%0.6150%0.502SS*.Hα-helixtrans-59.3-44.2175.9-176.3-98.3000112.4Q80 T81 D87 N88Q80-F84 WeakPolarHBondContact O-CB 3.39Å; Q80-F84 PolarHBondContact O-N 3.02Å; T81-F84 PolarHBondContact O-N 3.43Å; F84-D87 PolarHBondContact O-N 3.16Å; F84-N88 VanDerWaalsContact O-CB 3.26Å; F84-N88 WeakPolarHBondContact O-CB 3.31Å; F84-N88 PolarHBondContact O-N 3.32Å
85I92.1Very high84.8Confident106 Ų10699.7 Ų99.754%0.54450%0.501SS..Hα-helixtrans-64.4-43.6175.5-67.9163.7000110.3T81 L82 E83 D87 N88 K89T81-I85 WeakPolarHBondContact O-CB 3.48Å; T81-I85 WeakPolarHBondContact O-CD1 3.25Å; T81-I85 WeakPolarHBondContact O-CG1 3.43Å; T81-I85 PolarHBondContact O-N 3.35Å; L82-I85 PolarHBondContact O-N 2.84Å; E83-I85 PolarHBondContact O-N 2.99Å; I85-D87 VanDerWaalsContact C-N 3.32Å; I85-D87 PolarHBondContact O-N 2.98Å; I85-N88 PolarHBondContact O-N 2.8Å; I85-K89 WeakPolarHBondContact O-CB 3.4Å; I85-K89 PolarHBondContact O-N 3.37Å
86S87.1Confident83.4Confident39 Ų3997.7 Ų97.727%0.27350%0.503SS..Hα-helixtrans-63.8-38.2178.985.20000112.2L82 E83 K89 K90L82-S86 VanDerWaalsContact O-CB 3.29Å; L82-S86 WeakPolarHBondContact O-CB 3.38Å; L82-S86 PolarHBondContact O-N 3.21Å; E83-S86 PolarHBondContact O-N 3.36Å; E83-S86 VanDerWaalsContact O-N 3.16Å; E83-S86 PolarHBondContact O-OG 3.38Å; S86-K89 PolarHBondContact O-N 2.91Å; S86-K90 WeakPolarHBondContact O-CG 3.4Å; S86-K90 PolarHBondContact O-N 3.46Å
87D86.4Confident81.9Confident53 Ų5398.7 Ų98.728%0.28352%0.515SS..Hα-helixtrans-77-34.4179.1-79.4-7.3000111.6E83 F84 I85 K89 K90 R91E83-D87 WeakPolarHBondContact O-CB 3.38Å; E83-D87 PolarHBondContact O-N 2.97Å; F84-D87 PolarHBondContact O-N 3.16Å; I85-D87 VanDerWaalsContact C-N 3.32Å; I85-D87 PolarHBondContact O-N 2.98Å; D87-K89 VanDerWaalsContact C-N 3.31Å; D87-K90 PolarHBondContact O-N 2.84Å; D87-K90 IonicContact OD1-NZ 2.82Å; D87-K90 PolarHBondContact OD1-NZ 3.47Å; D87-R91 WeakPolarHBondContact O-CB 3.42Å; D87-R91 WeakPolarHBondContact O-CG 3.3Å; D87-R91 PolarHBondContact O-N 2.87Å
88N78.9Confident80.3Confident92 Ų92102.4 Ų102.449%0.49253%0.53SS..Hα-helixtrans-67-34.7171-152.512.5000111.3F84 I85 R91 S92F84-N88 VanDerWaalsContact O-CB 3.26Å; F84-N88 WeakPolarHBondContact O-CB 3.31Å; F84-N88 PolarHBondContact O-N 3.32Å; I85-N88 PolarHBondContact O-N 2.8Å; N88-R91 PolarHBondContact O-N 3.37Å; N88-S92 WeakPolarHBondContact O-CB 3.47Å; N88-S92 PolarHBondContact O-N 2.94Å; N88-S92 PolarHBondContact O-OG 2.88Å
89K81.7Confident78.3Confident124 Ų124106.4 Ų106.454%0.53954%0.544SS..Hα-helixtrans-65.9-41.3170.3-172172-177.3168.80112.2I85 S86 D87 S92 R93I85-K89 WeakPolarHBondContact O-CB 3.4Å; I85-K89 PolarHBondContact O-N 3.37Å; S86-K89 PolarHBondContact O-N 2.91Å; D87-K89 VanDerWaalsContact C-N 3.31Å; K89-S92 WeakPolarHBondContact CA-OG 3.36Å; K89-S92 PolarHBondContact O-OG 2.87Å; K89-R93 VanDerWaalsContact O-CB 3.23Å; K89-R93 WeakPolarHBondContact O-CB 3.38Å; K89-R93 PolarHBondContact O-N 2.69Å
90K82.3Confident76.1Confident129 Ų129104.2 Ų104.256%0.56155%0.554SS**Hα-helixtrans-65.4-41.3173.9-70.2170.1-155151.40111.7S86 D87 A94S86-K90 WeakPolarHBondContact O-CG 3.4Å; S86-K90 PolarHBondContact O-N 3.46Å; D87-K90 PolarHBondContact O-N 2.84Å; D87-K90 IonicContact OD1-NZ 2.82Å; D87-K90 PolarHBondContact OD1-NZ 3.47Å; K90-A94 VanDerWaalsContact O-CB 3.27Å; K90-A94 WeakPolarHBondContact O-CB 3.25Å; K90-A94 PolarHBondContact O-N 2.94Å
91R79.8Confident73.9Confident177 Ų177103.3 Ų103.367%0.66857%0.569SS**Hα-helixtrans-68.4-42.4178.2-75.3176.6-175.9171.24112.5D87 N88 A94 A95D87-R91 WeakPolarHBondContact O-CB 3.42Å; D87-R91 WeakPolarHBondContact O-CG 3.3Å; D87-R91 PolarHBondContact O-N 2.87Å; N88-R91 PolarHBondContact O-N 3.37Å; R91-A94 PolarHBondContact O-N 3.05Å; R91-A95 WeakPolarHBondContact O-CB 3.3Å; R91-A95 PolarHBondContact O-N 3.31Å
92S71.9Confident71.6Confident67 Ų67104.9 Ų104.947%0.46959%0.588SS.*Hα-helixtrans-65.3-40.8174.354.40000112N88 K89 A95 A96N88-S92 WeakPolarHBondContact O-CB 3.47Å; N88-S92 PolarHBondContact O-N 2.94Å; N88-S92 PolarHBondContact O-OG 2.88Å; K89-S92 WeakPolarHBondContact CA-OG 3.36Å; K89-S92 PolarHBondContact O-OG 2.87Å; S92-A95 PolarHBondContact O-N 2.84Å; S92-A96 WeakPolarHBondContact O-CB 3.33Å; S92-A96 PolarHBondContact O-N 3.48Å
93R75Confident69.2Low195 Ų195104.7 Ų104.774%0.73660%0.601SS**Hα-helixtrans-67.3-35.8175.1-159.1173.6-172.2172.93.4112.7K89 A97K89-R93 VanDerWaalsContact O-CB 3.23Å; K89-R93 WeakPolarHBondContact O-CB 3.38Å; K89-R93 PolarHBondContact O-N 2.69Å; R93-A97 PolarHBondContact O-N 3.4Å; R93-A97 VanDerWaalsContact O-N 3.13Å
94A70.4Confident66.9Low49 Ų49104 Ų10441%0.40562%0.615SS.*Hα-helixtrans-68.8-39173.100000112.3K90 R91 A97 Q98K90-A94 VanDerWaalsContact O-CB 3.27Å; K90-A94 WeakPolarHBondContact O-CB 3.25Å; K90-A94 PolarHBondContact O-N 2.94Å; R91-A94 PolarHBondContact O-N 3.05Å; A94-A97 PolarHBondContact O-N 3.13Å; A94-Q98 PolarHBondContact O-N 3.1Å; A94-Q98 PolarHBondContact O-OE1 3.5Å
95A66.5Low64.5Low54 Ų54104.6 Ų104.645%0.44663%0.625SS.*Hα-helixtrans-66.9-39.117500000112.4R91 S92 A97 Q98 Q99R91-A95 WeakPolarHBondContact O-CB 3.3Å; R91-A95 PolarHBondContact O-N 3.31Å; S92-A95 PolarHBondContact O-N 2.84Å; A95-A97 VanDerWaalsContact C-N 3.3Å; A95-A97 PolarHBondContact O-N 3.16Å; A95-Q98 PolarHBondContact O-N 2.97Å; A95-Q99 PolarHBondContact O-N 2.88Å
96A60.7Low62.3Low67 Ų67108.6 Ų108.655%0.55464%0.641SS**Hα-helixtrans-67.4-27.2174.300000113.1S92 Q98 Q99S92-A96 WeakPolarHBondContact O-CB 3.33Å; S92-A96 PolarHBondContact O-N 3.48Å; A96-Q98 VanDerWaalsContact C-N 3.31Å; A96-Q99 VanDerWaalsContact O-O 3.09Å
97A58.1Low60.1Low87 Ų87111.6 Ų111.672%0.71966%0.658SS**Hα-helixtrans-76.9-16.2174.800000113.5R93 A94 A95R93-A97 PolarHBondContact O-N 3.4Å; R93-A97 VanDerWaalsContact O-N 3.13Å; A94-A97 PolarHBondContact O-N 3.13Å; A95-A97 VanDerWaalsContact C-N 3.3Å; A95-A97 PolarHBondContact O-N 3.16Å
98Q56.5Low58Low169 Ų169117.7 Ų117.779%0.7969%0.685SS**Hα-helixtrans-97.8-10.9178.6-101.2149.7-23.700114.1A94 A95 A96A94-Q98 PolarHBondContact O-N 3.1Å; A94-Q98 PolarHBondContact O-OE1 3.5Å; A95-Q98 PolarHBondContact O-N 2.97Å; A96-Q98 VanDerWaalsContact C-N 3.31Å
99Q50Low56.1Low159 Ų159121.8 Ų121.874%0.74370%0.701SS**SBendtrans-107.1107.2168.5-77.7166.7-3.500108.3A95 A96A95-Q99 PolarHBondContact O-N 2.88Å; A96-Q99 VanDerWaalsContact O-O 3.09Å
100G44.8Very low54.2Low71 Ų71123.3 Ų123.373%0.73271%0.71SS**  trans-51.3142-176.500000113.5A102G100-A102 PolarHBondContact O-N 3.38Å; G100-A102 VanDerWaalsContact O-N 3.08Å
101A46.4Very low52.2Low112 Ų112120.5 Ų120.593%0.92671%0.711SS**SBendtrans-22.797174.900000115.8
102A42.6Very low50.5Low97 Ų97119.7 Ų119.780%0.80272%0.715SS**  trans-162.955.3161.800000111.7G100G100-A102 PolarHBondContact O-N 3.38Å; G100-A102 VanDerWaalsContact O-N 3.08Å
103A41.5Very low49.2Very low95 Ų95123.3 Ų123.379%0.78573%0.729SS**  trans-175.674.1161.300000109.6
104A41Very low47.9Very low102 Ų102119.4 Ų119.484%0.84372%0.722SS**  trans-111.351.1178.400000110.9
105D41.3Very low46.5Very low152 Ų152120.3 Ų120.381%0.81373%0.729SS**SBendtrans-144.319.3-179.9-154.130.5000115.8
106Q44.4Very low45.8Very low190 Ų190123.1 Ų123.189%0.88874%0.741SS**SBendtrans-141.113.9178.1-66.9-170.51.300116
107T41.8Very low44.8Very low103 Ų103128.4 Ų128.463%0.63275%0.752SS**  trans-113.613.4-171.55.10000115.7
108E42.1Very low44.2Very low180 Ų180128.9 Ų128.984%0.84175%0.746SS**SBendtrans-86.6-16.3179.8-64.7-169163.600113.8
109Q38.8Very low43.7Very low179 Ų179126.9 Ų126.984%0.83675%0.748SS**SBendtrans-90.7-14.3-175.5-97.6159.2-26.100116.2
110E41.5Very low43.2Very low156 Ų156126.9 Ų126.973%0.72975%0.752SS**SBendtrans-97.5-4.6179.1-67.9-173.6164.900113.6
111A40.8Very low43Very low70 Ų70132.7 Ų132.758%0.57976%0.76SS**SBendtrans-81.3-24.6-178.200000113.4
112E44.9Very low42.5Very low159 Ų159135 Ų13574%0.74376%0.756SS**SBendtrans-78-32.6-175.4-69.2-171.2153.200113.2L114E112-L114 VanDerWaalsContact C-N 3.27Å; E112-L114 PolarHBondContact O-N 3.02Å
113D43.2Very low42.1Very low144 Ų144138.1 Ų138.177%0.7776%0.759SS**THydrogen-bonded Turntrans-73.4-13.6-177.4-91.7-11.5000114.3
114L47.5Very low42Very low112 Ų112142.8 Ų142.859%0.58677%0.765SS**THydrogen-bonded Turntrans-105.70.2-175.6-97.3128.8000115E112 V116E112-L114 VanDerWaalsContact C-N 3.27Å; E112-L114 PolarHBondContact O-N 3.02Å; L114-V116 PolarHBondContact O-N 3.29Å
115A42.9Very low41.8Very low68 Ų68143.3 Ų143.356%0.56276%0.762SS**G310 helixtrans-73.3-6.417300000113.5F117 T118A115-F117 VanDerWaalsContact C-N 3.3Å; A115-F117 PolarHBondContact O-N 3.3Å; A115-T118 PolarHBondContact O-OG1 3.33Å
116V50.5Low41.4Very low114 Ų114141 Ų14169%0.69176%0.764SS**G310 helixtrans-72.7-16.5-176.7177.60000113.7L114L114-V116 PolarHBondContact O-N 3.29Å
117F39.6Very low40.7Very low177 Ų177139 Ų13978%0.77677%0.765SS**G310 helixtrans-110.513.9-172.7-75.3-78.6000116A115A115-F117 VanDerWaalsContact C-N 3.3Å; A115-F117 PolarHBondContact O-N 3.3Å
118T46.1Very low40.2Very low98 Ų98139.2 Ų139.260%0.60177%0.771SS**SBendtrans-98.1121.3171.842.70000111.2A115 L120A115-T118 PolarHBondContact O-OG1 3.33Å; T118-L120 PolarHBondContact O-N 2.96Å
119P45.4Very low40.2Very low127 Ų127136.4 Ų136.483%0.82577%0.768SS**PPolyproline II helixtrans-63120.6172.8-18.330.8000110.3
120L39.2Very low39.8Very low159 Ų159139.9 Ų139.983%0.83277%0.774SS**PPolyproline II helixtrans-78.4117.9174.9-80147.6000109.5T118T118-L120 PolarHBondContact O-N 2.96Å
121E41.6Very low39.5Very low193 Ų193138.5 Ų138.590%0.90278%0.776SS**PPolyproline II helixtrans-76.8121.1162-68.6-176.4159.800107.6
122L36.8Very low39Very low159 Ų159143.5 Ų143.583%0.83279%0.787SS**  trans-89.2115.7178.8-73161.2000108.8E124L122-E124 PolarHBondContact O-N 3.21Å
123D32.3Very low39.1Very low164 Ų164140 Ų14088%0.87778%0.778SS**  trans-78112.9168.3-91-27.3000109.6
124E40.5Very low39Very low193 Ų193141.5 Ų141.590%0.90278%0.78SS**  trans-85.1105.8169.1-70.5-176.9154.100109.5L122L122-E124 PolarHBondContact O-N 3.21Å
125S36.3Very low38.5Very low113 Ų113142 Ų14279%0.7979%0.788SS**  trans-153.2143.9160.755.50000113.6
126A32.9Very low38.5Very low103 Ų103147.2 Ų147.285%0.85181%0.807SS**  trans91.783.2166.500000118.4
127T30Very low37.9Very low149 Ų149148.4 Ų148.491%0.91481%0.808SS**  trans-87.9132151.4-38.60000109.1
128S31.9Very low38.3Very low106 Ų106145.3 Ų145.374%0.74181%0.808SS**  trans-108.4148.1168.863.90000110.1
129P41.8Very low38.1Very low122 Ų122145.8 Ų145.879%0.79281%0.811SS**  trans-96.7127.7-177.334.7-27.5000110.8
130R30.1Very low38.1Very low252 Ų252145.2 Ų145.295%0.95180%0.804SS**  trans-142.9113.4156.3-78.5-164.4166.3163.5-3.9110.9
131T34.4Very low38.6Very low127 Ų127143.2 Ų143.278%0.77980%0.801SS**  trans-70.5132.4165.1-55.60000109.8
132E31.3Very low38.9Very low175 Ų175140.4 Ų140.482%0.81879%0.792SS**  trans-163149.9133.6-84.2-44.9136.100108.7
133P46.8Very low39.5Very low85 Ų85136.4 Ų136.455%0.55278%0.775SS**  trans-100.7164.4-157.338.2-35000115.5
134H41.3Very low40.8Very low175 Ų175132.8 Ų132.881%0.8176%0.76SS**  trans89.378.9163-51.3-61.6000118.3
135T37Very low41.4Very low122 Ų122129.7 Ų129.775%0.74875%0.746SS**SBendtrans-147.3140.7141.9-11.20000107.1I137T135-I137 WeakPolarHBondContact O-CG1 3.37Å; T135-I137 PolarHBondContact O-N 3.42Å
136D43.2Very low42.3Very low179 Ų179127.5 Ų127.596%0.95774%0.735SS**  trans-63.995.5179.7-74.6-34.4000110.2
137I37.2Very low43.3Very low138 Ų138128.6 Ų128.671%0.70873%0.725SS**  trans-84.7118.6177.1-65155.8000107.1T135 V139T135-I137 WeakPolarHBondContact O-CG1 3.37Å; T135-I137 PolarHBondContact O-N 3.42Å; I137-V139 VanDerWaalsContact C-N 3.34Å; I137-V139 PolarHBondContact O-N 2.89Å
138S49.2Very low44.9Very low113 Ų113125.7 Ų125.779%0.7970%0.704SS**  trans-59.598.1163.3173.70000108.4V140S138-V140 PolarHBondContact O-N 3.21Å; S138-V140 VanDerWaalsContact O-N 3.08Å
139V41.7Very low46.1Very low108 Ų108126 Ų12666%0.65570%0.703SS**  trans-66.7108.4180-176.50000108.1I137I137-V139 VanDerWaalsContact C-N 3.34Å; I137-V139 PolarHBondContact O-N 2.89Å
140V44.5Very low46.9Very low114 Ų114122.3 Ų122.369%0.69168%0.679SS**  trans-58.9125.6165.7177.70000106.7S138 L142S138-V140 PolarHBondContact O-N 3.21Å; S138-V140 VanDerWaalsContact O-N 3.08Å; V140-L142 PolarHBondContact O-N 2.82Å
141P50.2Low48.2Very low118 Ų118117 Ų11777%0.76667%0.665SS**  trans-59.1110.9179.320-28.8000108.7
142L48.1Very low49.4Very low134 Ų134116.2 Ų116.270%0.70266%0.66SS**PPolyproline II helixtrans-63.4142.6174-80.1110.1000108.8V140V140-L142 PolarHBondContact O-N 2.82Å
143P48.9Very low50.7Low75 Ų75115 Ų11549%0.48766%0.655SS.*PPolyproline II helixtrans-55.2139.4171.924.3-32.4000108.8E145 L147P143-E145 PolarHBondContact O-N 2.91Å; P143-L147 HydrophobicContact CB-CB 4.5Å; P143-L147 HydrophobicContact CB-CD1 4.37Å
144P59.3Low51.3Low87 Ų87114 Ų11457%0.56564%0.643SS**PPolyproline II helixtrans-52.5136.1179.620.2-31.8000109.3A146 L147P144-A146 PolarHBondContact O-N 2.96Å; P144-L147 HydrophobicContact CG-CD1 3.96Å; P144-L147 HydrophobicContact CG-CG 4.24Å; P144-L147 PolarHBondContact O-N 2.85Å
145E53.8Low52.1Low129 Ų129109 Ų10960%0.60362%0.618SS**G310 helixtrans-51-21.8-173.6-162.8177.2166.400113.6P143 L147 I148 A194P143-E145 PolarHBondContact O-N 2.91Å; E145-L147 PolarHBondContact O-N 3.03Å; E145-I148 PolarHBondContact O-N 3.31Å; E145-I148 VanDerWaalsContact O-N 3.16Å; E145-A194 HydrophobicContact CB-CB 4.48Å; E145-A194 VanDerWaalsContact CD-CB 3.45Å; E145-A194 HydrophobicContact CG-CB 4.28Å; E145-A194 WeakPolarHBondContact OE2-CB 3.43Å
146A55.1Low53.1Low66 Ų66109.3 Ų109.355%0.54562%0.616SS.*G310 helixtrans-63.6-15.8171.400000115.5P144 R175P144-A146 PolarHBondContact O-N 2.96Å; A146-R175 VanDerWaalsContact CB-NH2 3.3Å
147L53Low54Low126 Ų126107.5 Ų107.566%0.6660%0.599SS**G310 helixtrans-99.4-4.8176.9-62.9178.5000112.5P143 P144 E145P143-L147 HydrophobicContact CB-CB 4.5Å; P143-L147 HydrophobicContact CB-CD1 4.37Å; P144-L147 HydrophobicContact CG-CD1 3.96Å; P144-L147 HydrophobicContact CG-CG 4.24Å; P144-L147 PolarHBondContact O-N 2.85Å; E145-L147 PolarHBondContact O-N 3.03Å
148I64.6Low55.2Low89 Ų89105 Ų10546%0.45659%0.587SS.*SBendtrans-93118.1175.8-55.5175.8000107E145 P150E145-I148 PolarHBondContact O-N 3.31Å; E145-I148 VanDerWaalsContact O-N 3.16Å; I148-P150 WeakPolarHBondContact O-CD 3.19Å
149P57.1Low56.3Low112 Ų112102.6 Ų102.673%0.72757%0.568SS**PPolyproline II helixtrans-59.6123.7177.2-20.631.5000109.9E151P149-E151 PolarHBondContact O-N 2.63Å
150P58.2Low57.7Low44 Ų44100.4 Ų100.429%0.28655%0.553SS.*PPolyproline II helixtrans-67.1136.5-17919.9-26000110.9I148 K155I148-P150 WeakPolarHBondContact O-CD 3.19Å; P150-K155 WeakPolarHBondContact O-CE 3.29Å
151E58.5Low59.2Low140 Ų14099.8 Ų99.865%0.65455%0.545SS*.PPolyproline II helixtrans-56.8142.9178.6-70.7-17717100111.4P149 Q153 E154 K155P149-E151 PolarHBondContact O-N 2.63Å; E151-Q153 PolarHBondContact O-N 2.89Å; E151-E154 HydrophobicContact CB-CG 4.48Å; E151-E154 PolarHBondContact O-N 3.44Å; E151-K155 PolarHBondContact O-N 3.3Å
152T59.5Low60.3Low111 Ų11196.2 Ų96.268%0.68152%0.522SS*.Hα-helixtrans-57.4-26.8-174.149.90000113.6N156T152-N156 PolarHBondContact O-ND2 3.27Å
153Q58Low61.6Low151 Ų15197.6 Ų97.671%0.70654%0.536SS*.Hα-helixtrans-75.8-29.3177.5-58.4-172.917.400113E151E151-Q153 PolarHBondContact O-N 2.89Å
154E59.4Low62.6Low64 Ų6497.1 Ų97.130%0.29955%0.545SS..Hα-helixtrans-77.3-29.3177.9-62-150.6133.600112.8E151 N156 K157 K172E151-E154 HydrophobicContact CB-CG 4.48Å; E151-E154 PolarHBondContact O-N 3.44Å; E154-N156 PolarHBondContact O-N 2.92Å; E154-K157 PolarHBondContact O-N 3.2Å; E154-K157 IonicContact OE1-NZ 3.91Å; E154-K172 IonicContact OE1-NZ 3.6Å; E154-K172 IonicContact OE2-NZ 2.63Å; E154-K172 PolarHBondContact OE2-NZ 3.5Å
155K58.2Low63.2Low68 Ų6895.7 Ų95.730%0.29655%0.545SS..Hα-helixtrans-60.2-29.7176.1-67.9-170.9172.8-156.50112.4P150 E151 K157 S170 D173P150-K155 WeakPolarHBondContact O-CE 3.29Å; E151-K155 PolarHBondContact O-N 3.3Å; K155-K157 VanDerWaalsContact C-N 3.32Å; K155-K157 PolarHBondContact O-N 3.3Å; K155-S170 WeakPolarHBondContact CA-OG 3.41Å; K155-S170 WeakPolarHBondContact O-CB 3.31Å; K155-S170 PolarHBondContact O-OG 3.22Å; K155-D173 WeakPolarHBondContact CE-OD1 3.41Å; K155-D173 IonicContact NZ-OD1 3.95Å; K155-D173 PolarHBondContact NZ-OD1 3.33Å; K155-D173 VanDerWaalsContact NZ-OD1 3.08Å
156N57.5Low64.3Low130 Ų13095.9 Ų95.970%0.69555%0.546SS*.THydrogen-bonded Turntrans-80.9-9.1-177.3-62.3-19000113.9T152 E154T152-N156 PolarHBondContact O-ND2 3.27Å; E154-N156 PolarHBondContact O-N 2.92Å
157K61.2Low65.3Low141 Ų14197.5 Ų97.561%0.61355%0.549SS*.THydrogen-bonded Turntrans-73.4-25.8-176.2-66.6178.2-178.3170.80113E154 K155E154-K157 PolarHBondContact O-N 3.2Å; E154-K157 IonicContact OE1-NZ 3.91Å; K155-K157 VanDerWaalsContact C-N 3.32Å; K155-K157 PolarHBondContact O-N 3.3Å
158L64.2Low66.1Low86 Ų8697 Ų9745%0.4555%0.547SS..SBendtrans-142.480.2-178.5-66.6171000110.9Q171L158-Q171 HydrophobicContact CB-CB 4.03Å; L158-Q171 PolarHBondContact O-N 2.91Å
159P71.9Confident66.2Low61 Ų6194.5 Ų94.540%0.39654%0.537SS..EExtended strand (participates in β ladder)trans-74.4130.3177.328.9-31.9000111.2I161 V167P159-I161 HydrophobicContact CB-CG1 4.48Å; P159-V167 HydrophobicContact CB-CG1 3.55Å; P159-V167 HydrophobicContact CB-CG2 4.16Å
160L71.2Confident66.9Low63 Ų6389.5 Ų89.533%0.3350%0.504SS..EExtended strand (participates in β ladder)trans-80.5123.8164.4-64.5176.8000108.5L168 C169 Q171 F174L160-L168 PolarHBondContact O-N 3.21Å; L160-C169 WeakPolarHBondContact CB-O 3.22Å; L160-C169 PolarHBondContact N-O 2.81Å; L160-Q171 HydrophobicContact CD2-CB 4.18Å; L160-Q171 HydrophobicContact CD2-CG 4.43Å; L160-Q171 HydrophobicContact CG-CB 4.22Å; L160-F174 HydrophobicContact CD1-CD2 3.79Å; L160-F174 HydrophobicContact CD1-CE2 4.05Å
161I76.3Confident67.3Low101 Ų10189.5 Ų89.552%0.51850%0.5SS..EExtended strand (participates in β ladder)trans-112133.8-173.4-45.6-179.8000108.5P159 G165 E166 V167P159-I161 HydrophobicContact CB-CG1 4.48Å; I161-G165 WeakPolarHBondContact CG2-O 3.35Å; I161-E166 CarbonylContact C-O 3.55Å; I161-E166 WeakPolarHBondContact CA-O 3.49Å; I161-E166 WeakPolarHBondContact CG2-O 3.26Å; I161-V167 HydrophobicContact CG1-CG2 4.37Å
162S72.8Confident67.7Low43 Ų4387.5 Ų87.530%0.30149%0.489SS..  trans-59.5155.9169.4-178.80000110.6G164 G165 E166S162-G164 PolarHBondContact O-N 3.47Å; S162-G164 PolarHBondContact OG-N 3.39Å; S162-G165 PolarHBondContact O-N 3.28Å; S162-E166 WeakPolarHBondContact CB-O 3.49Å; S162-E166 PolarHBondContact N-O 3.45Å
163V74.8Confident68.1Low163 Ų16385.6 Ų85.699%0.98848%0.475SS*.THydrogen-bonded Turntrans-57.9-23171.2-173.90000111.4G165V163-G165 VanDerWaalsContact C-N 3.34Å
164G70.8Confident68.5Low65 Ų6583.4 Ų83.467%0.6746%0.464SS*.THydrogen-bonded Turntrans-82.94.7172.300000115.9S162S162-G164 PolarHBondContact O-N 3.47Å; S162-G164 PolarHBondContact OG-N 3.39Å
165G72.1Confident68.7Low56 Ų5689.3 Ų89.358%0.57748%0.483SS*.SBendtrans84.71.4177.100000115.8I161 S162 V163I161-G165 WeakPolarHBondContact CG2-O 3.35Å; S162-G165 PolarHBondContact O-N 3.28Å; V163-G165 VanDerWaalsContact C-N 3.34Å
166E76.9Confident68.9Low133 Ų13389 Ų8962%0.62149%0.486SS*.  trans-84.3133.9178-62.8177.4173.400111.4I161 S162 L168I161-E166 CarbonylContact C-O 3.55Å; I161-E166 WeakPolarHBondContact CA-O 3.49Å; I161-E166 WeakPolarHBondContact CG2-O 3.26Å; S162-E166 WeakPolarHBondContact CB-O 3.49Å; S162-E166 PolarHBondContact N-O 3.45Å; E166-L168 PolarHBondContact O-N 3.3Å
167V75.2Confident69.3Low100 Ų10086 Ų8661%0.60647%0.471SS*.EExtended strand (participates in β ladder)trans-75.8112.2175.9178.50000109.2P159 I161P159-V167 HydrophobicContact CB-CG1 3.55Å; P159-V167 HydrophobicContact CB-CG2 4.16Å; I161-V167 HydrophobicContact CG1-CG2 4.37Å
168L69Low69.1Low116 Ų11681.9 Ų81.961%0.60746%0.455SS*.EExtended strand (participates in β ladder)trans-86.4-41.7-175.9-65.9175.2000112.1L160 E166L160-L168 PolarHBondContact O-N 3.21Å; E166-L168 PolarHBondContact O-N 3.3Å
169C66.6Low69.2Low37 Ų3784.5 Ų84.525%0.2546%0.463CS..EExtended strand (participates in β ladder)trans-171.9169.9-170.445.10000112.2L160 F174L160-C169 WeakPolarHBondContact CB-O 3.22Å; L160-C169 PolarHBondContact N-O 2.81Å; C169-F174 HydrophobicContact CB-CE2 3.6Å; C169-F174 HydrophobicContact CB-CZ 4.05Å; C169-F174 WeakPolarHBondContact SG-CE2 3.09Å
170S72.6Confident68.7Low6 Ų685.1 Ų85.14%0.04246%0.463CS..EExtended strand (participates in β ladder)trans-84.2145.1172.2-171.70000110.9K155 K172 D173K155-S170 WeakPolarHBondContact CA-OG 3.41Å; K155-S170 WeakPolarHBondContact O-CB 3.31Å; K155-S170 PolarHBondContact O-OG 3.22Å; S170-K172 PolarHBondContact O-N 3.49Å; S170-K172 PolarHBondContact OG-N 3.49Å; S170-D173 VanDerWaalsContact CB-OD2 3.3Å; S170-D173 WeakPolarHBondContact CB-OD2 3.25Å; S170-D173 PolarHBondContact N-OD2 3.47Å; S170-D173 WeakPolarHBondContact O-CB 3.39Å; S170-D173 PolarHBondContact O-N 2.98Å
171Q67.4Low68.2Low44 Ų4487.8 Ų87.821%0.20648%0.484CS..G310 helixtrans-58-30.9172.6-172.7179.9700112.1L158 L160 D173 F174L158-Q171 HydrophobicContact CB-CB 4.03Å; L158-Q171 PolarHBondContact O-N 2.91Å; L160-Q171 HydrophobicContact CD2-CB 4.18Å; L160-Q171 HydrophobicContact CD2-CG 4.43Å; L160-Q171 HydrophobicContact CG-CB 4.22Å; Q171-D173 PolarHBondContact O-N 3.44Å; Q171-F174 PolarHBondContact O-N 2.8Å
172K65.8Low67.7Low98 Ų9884.1 Ų84.143%0.42647%0.471SS..G310 helixtrans-68.5-16177.5-69-166.2177.5-161.90114E154 S170 F174E154-K172 IonicContact OE1-NZ 3.6Å; E154-K172 IonicContact OE2-NZ 2.63Å; E154-K172 PolarHBondContact OE2-NZ 3.5Å; S170-K172 PolarHBondContact O-N 3.49Å; S170-K172 PolarHBondContact OG-N 3.49Å; K172-F174 PolarHBondContact O-N 2.83Å
173D68.4Low66.7Low71 Ų7187.5 Ų87.538%0.3849%0.492SS..G310 helixtrans-76.6-10.2177.2-61.3-45.3000111.8K155 S170 Q171K155-D173 WeakPolarHBondContact CE-OD1 3.41Å; K155-D173 IonicContact NZ-OD1 3.95Å; K155-D173 PolarHBondContact NZ-OD1 3.33Å; K155-D173 VanDerWaalsContact NZ-OD1 3.08Å; S170-D173 VanDerWaalsContact CB-OD2 3.3Å; S170-D173 WeakPolarHBondContact CB-OD2 3.25Å; S170-D173 PolarHBondContact N-OD2 3.47Å; S170-D173 WeakPolarHBondContact O-CB 3.39Å; S170-D173 PolarHBondContact O-N 2.98Å; Q171-D173 PolarHBondContact O-N 3.44Å
174F67.2Low65.8Low106 Ų10686.6 Ų86.647%0.46548%0.481SS..SBendtrans-126.4142-177.9-54.7-88000112.3L160 C169 Q171 K172 V176L160-F174 HydrophobicContact CD1-CD2 3.79Å; L160-F174 HydrophobicContact CD1-CE2 4.05Å; C169-F174 HydrophobicContact CB-CE2 3.6Å; C169-F174 HydrophobicContact CB-CZ 4.05Å; C169-F174 WeakPolarHBondContact SG-CE2 3.09Å; Q171-F174 PolarHBondContact O-N 2.8Å; K172-F174 PolarHBondContact O-N 2.83Å; F174-V176 HydrophobicContact CB-CG2 3.61Å; F174-V176 PolarHBondContact O-N 3.23Å
175R62.5Low65.5Low188 Ų18891.6 Ų91.671%0.70949%0.493SS*.  trans-83.293.2163.9-67.2-174.3177.5-162.8-0.1108.4A146A146-R175 VanDerWaalsContact CB-NH2 3.3Å
176V63.1Low64.9Low60 Ų6094.5 Ų94.536%0.36450%0.495SS..PPolyproline II helixtrans-102.2136.8178.7-166.50000109.2F174 L178F174-V176 HydrophobicContact CB-CG2 3.61Å; F174-V176 PolarHBondContact O-N 3.23Å; V176-L178 PolarHBondContact O-N 3.27Å
177N64.4Low64.3Low69 Ų6993.8 Ų93.837%0.36949%0.494SS..EExtended strand (participates in β ladder)trans-73.2124.4169.6-67.7-26.9000108.4F179 L189N177-F179 WeakPolarHBondContact O-CD2 3.28Å; N177-F179 WeakPolarHBondContact O-CE2 3.35Å; N177-L189 HydrophobicContact CB-CD2 4.28Å
178L57.7Low63.6Low54 Ų5492.6 Ų92.628%0.28349%0.487SS..EExtended strand (participates in β ladder)trans-77.7128.1171.7-88.3150.8000108.9V176 M190 Q192V176-L178 PolarHBondContact O-N 3.27Å; L178-M190 PolarHBondContact N-O 2.82Å; L178-M190 PolarHBondContact O-N 3.08Å; L178-Q192 HydrophobicContact CD1-CB 4.21Å; L178-Q192 HydrophobicContact CD1-CG 3.93Å
179F65.6Low63.2Low140 Ų14091.7 Ų91.761%0.61448%0.482SS*.EExtended strand (participates in β ladder)trans-94106.2175.2-61.3-89.7000108.1N177 I187 L189N177-F179 WeakPolarHBondContact O-CD2 3.28Å; N177-F179 WeakPolarHBondContact O-CE2 3.35Å; F179-I187 HydrophobicContact CD1-CG2 3.85Å; F179-L189 HydrophobicContact CD1-CD2 3.46Å; F179-L189 VanDerWaalsContact CD1-CD2 3.46Å; F179-L189 HydrophobicContact CE1-CD2 3.36Å; F179-L189 HydrophobicContact CG-CD2 4.32Å; F179-L189 HydrophobicContact CZ-CD2 4.15Å
180L62.3Low62.8Low75 Ų7594.7 Ų94.739%0.39349%0.493SS..EExtended strand (participates in β ladder)trans-105.6118.7170.2-74.2153.7000107.8G182 V188 M190L180-G182 PolarHBondContact O-N 2.83Å; L180-V188 PolarHBondContact N-O 2.79Å; L180-V188 PolarHBondContact O-N 2.68Å; L180-M190 HydrophobicContact CD1-CE 3.23Å
181P60.9Low61.9Low118 Ų11899.4 Ų99.477%0.76652%0.517SS*.EExtended strand (participates in β ladder)trans-67.9113171.527.2-30.1000108.1
182G65.1Low61.3Low24 Ų24100 Ų10025%0.24752%0.52CS..  trans-78.9164.2170.400000111.2L180 L186L180-G182 PolarHBondContact O-N 2.83Å; G182-L186 PolarHBondContact N-O 3.16Å
183P53.3Low60.6Low114 Ų11498.9 Ų98.974%0.7453%0.525SS*.THydrogen-bonded Turntrans-58.9142.7164.426.8-31.3000109.4
184D54.3Low59.6Low145 Ų14597.4 Ų97.478%0.77552%0.523SS*.THydrogen-bonded Turntrans7541.8-179.5-50.3-31.7000117.3L186D184-L186 PolarHBondContact O-N 3.24Å
185D65Low58.3Low170 Ų17095.6 Ų95.691%0.90953%0.527SS*.SBendtrans56.813.3175.5-75-22.5000114.9
186L59Low57.3Low117 Ų11788.9 Ų88.961%0.61351%0.512SS*.  trans-84.6123.4177.7-70167.6000110.1G182 D184G182-L186 PolarHBondContact N-O 3.16Å; D184-L186 PolarHBondContact O-N 3.24Å
187I65.4Low56.4Low117 Ų11788.6 Ų88.660%0.651%0.513SS*.EExtended strand (participates in β ladder)trans-92.6110.6176.4-58.7175.1000108.5F179 L189F179-I187 HydrophobicContact CD1-CG2 3.85Å; I187-L189 HydrophobicContact CG2-CD2 3.97Å; I187-L189 HydrophobicContact CG2-CG 4.34Å
188V60.7Low55.2Low76 Ų7695 Ų9546%0.46153%0.532SS..EExtended strand (participates in β ladder)trans-88.1115.3172.8-176.80000108.6L180 M190L180-V188 PolarHBondContact N-O 2.79Å; L180-V188 PolarHBondContact O-N 2.68Å; V188-M190 HydrophobicContact CG1-CG 4.05Å
189L60.2Low54.3Low97 Ų9799.8 Ų99.851%0.50855%0.55SS.*EExtended strand (participates in β ladder)trans-92.5110.2175.3-62.6173.7000109.1N177 F179 I187N177-L189 HydrophobicContact CB-CD2 4.28Å; F179-L189 HydrophobicContact CD1-CD2 3.46Å; F179-L189 VanDerWaalsContact CD1-CD2 3.46Å; F179-L189 HydrophobicContact CE1-CD2 3.36Å; F179-L189 HydrophobicContact CG-CD2 4.32Å; F179-L189 HydrophobicContact CZ-CD2 4.15Å; I187-L189 HydrophobicContact CG2-CD2 3.97Å; I187-L189 HydrophobicContact CG2-CG 4.34Å
190M57.6Low53.3Low100 Ų10097.8 Ų97.849%0.49355%0.545SS..EExtended strand (participates in β ladder)trans-106.2130.2172.8-67.6-160.9-75.100110.9L178 L180 V188 Q192L178-M190 PolarHBondContact N-O 2.82Å; L178-M190 PolarHBondContact O-N 3.08Å; L180-M190 HydrophobicContact CD1-CE 3.23Å; V188-M190 HydrophobicContact CG1-CG 4.05Å; M190-Q192 PolarHBondContact O-N 2.97Å
191L53.7Low52.4Low104 Ų104101.1 Ų101.155%0.54556%0.563SS.*EExtended strand (participates in β ladder)trans-76.6120171.6-170.671.4000108.5S193L191-S193 VanDerWaalsContact C-N 3.33Å; L191-S193 PolarHBondContact O-N 3.16Å
192Q54.9Low51.1Low56 Ų56101.4 Ų101.426%0.26256%0.558SS.*  trans-70.388.5-179.9-156.2171.515.900109.9L178 M190L178-Q192 HydrophobicContact CD1-CB 4.21Å; L178-Q192 HydrophobicContact CD1-CG 3.93Å; M190-Q192 PolarHBondContact O-N 2.97Å
193S50.5Low49.9Very low75 Ų75106 Ų10652%0.52457%0.573SS.*  trans-75.8143.9161.3176.30000108.5L191 A195 A196L191-S193 VanDerWaalsContact C-N 3.33Å; L191-S193 PolarHBondContact O-N 3.16Å; S193-A195 PolarHBondContact O-N 3.12Å; S193-A196 WeakPolarHBondContact O-CB 3.31Å; S193-A196 PolarHBondContact O-N 3.29Å
194A47.7Very low49Very low41 Ų41104.9 Ų104.934%0.33957%0.568SS.*THydrogen-bonded Turntrans-52.3-26.9-179.900000113.3E145 A196 S197E145-A194 HydrophobicContact CB-CB 4.48Å; E145-A194 VanDerWaalsContact CD-CB 3.45Å; E145-A194 HydrophobicContact CG-CB 4.28Å; E145-A194 WeakPolarHBondContact OE2-CB 3.43Å; A194-A196 PolarHBondContact O-N 2.95Å; A194-S197 PolarHBondContact O-N 3.37Å; A194-S197 PolarHBondContact O-OG 3.18Å
195A40.4Very low48Very low67 Ų67101.8 Ų101.855%0.55456%0.563SS**THydrogen-bonded Turntrans-66.5-30.7173.800000114.3S193 S197S193-A195 PolarHBondContact O-N 3.12Å; A195-S197 VanDerWaalsContact C-N 3.32Å; A195-S197 PolarHBondContact O-N 3.08Å
196A40.7Very low46.4Very low47 Ų4796.8 Ų96.839%0.38855%0.545SS..Hα-helixtrans-74.5-21.7-178.700000113S193 A194 R198 F199S193-A196 WeakPolarHBondContact O-CB 3.31Å; S193-A196 PolarHBondContact O-N 3.29Å; A194-A196 PolarHBondContact O-N 2.95Å; A196-R198 PolarHBondContact O-N 3.33Å; A196-F199 PolarHBondContact O-N 2.89Å
197S44.1Very low45.1Very low55 Ų5595.3 Ų95.339%0.38555%0.549SS..Hα-helixtrans-62.5-29.6176.9-20.20000112.8A194 A195 F199A194-S197 PolarHBondContact O-N 3.37Å; A194-S197 PolarHBondContact O-OG 3.18Å; A195-S197 VanDerWaalsContact C-N 3.32Å; A195-S197 PolarHBondContact O-N 3.08Å; S197-F199 VanDerWaalsContact C-N 3.34Å
198R40.5Very low43.4Very low204 Ų20499 Ų9977%0.7756%0.564SS**Hα-helixtrans-74.2-29-180-55.6-179.988113-1.9111.5A196A196-R198 PolarHBondContact O-N 3.33Å
199F39Very low42Very low153 Ų153100 Ų10067%0.67158%0.575SS**Hα-helixtrans-72.9-26.1-179.1-112-85.8000113.9A196 S197 Q203A196-F199 PolarHBondContact O-N 2.89Å; S197-F199 VanDerWaalsContact C-N 3.34Å; F199-Q203 PolarHBondContact O-NE2 3.48Å
200L43.9Very low40.5Very low98 Ų98100.3 Ų100.351%0.51359%0.591SS.*Hα-helixtrans-86.2-25.8-179.7-68.4179.2000113.4D202L200-D202 VanDerWaalsContact C-N 3.33Å
201L43Very low39.2Very low146 Ų146102 Ų10276%0.76461%0.607SS**Hα-helixtrans-75.6-25.9176.3-144.879.8000112S204L201-S204 PolarHBondContact O-OG 3.14Å
202D34.6Very low38Very low124 Ų124103.5 Ų103.566%0.66362%0.62SS**Hα-helixtrans-84.3-27-177.9-141.118.7000112.6L200 A205L200-D202 VanDerWaalsContact C-N 3.33Å; D202-A205 PolarHBondContact O-N 3.14Å
203Q39.3Very low36.5Very low119 Ų119109.5 Ų109.556%0.55665%0.646SS**Hα-helixtrans-77.6-20.5179.3-77.4-17759.500114.2F199 A205F199-Q203 PolarHBondContact O-NE2 3.48Å; Q203-A205 VanDerWaalsContact C-N 3.31Å
204S34.1Very low35.3Very low92 Ų92112.7 Ų112.764%0.64366%0.657SS**Hα-helixtrans-76.3-20174.467.20000112.9L201L201-S204 PolarHBondContact O-OG 3.14Å
205A32.9Very low34.7Very low79 Ų79115.2 Ų115.265%0.65367%0.67SS**Hα-helixtrans-86.8-24.4174.800000112.9D202 Q203D202-A205 PolarHBondContact O-N 3.14Å; Q203-A205 VanDerWaalsContact C-N 3.31Å
206A31.5Very low34Very low66 Ų66119.6 Ų119.655%0.54568%0.684SS.*Hα-helixtrans-91.2-8.4-17600000114.6E208A206-E208 PolarHBondContact O-N 2.88Å
207A31.4Very low33.5Very low85 Ų85126 Ų12670%0.70271%0.706SS**THydrogen-bonded Turntrans-84.21.2-174.700000115.3
208E30.4Very low32.8Very low195 Ų195127.9 Ų127.991%0.91173%0.725SS**THydrogen-bonded Turntrans-92.74.2174.7-74.7-157.1158.700114.7A206A206-E208 PolarHBondContact O-N 2.88Å
209S32.2Very low32.2Very low98 Ų98122.9 Ų122.969%0.68573%0.727SS**SBendtrans-14585.7178.665.10000113.5
210A27.2Very low31.6Very low103 Ų103119.6 Ų119.685%0.85174%0.737SS**  trans170.7101.5133.300000110.6
211V30.5Very low30.7Very low136 Ų136118.4 Ų118.482%0.82475%0.748SS**  trans-82128.4157.4175.20000107.2
212T28.2Very low30.1Very low134 Ų134117.4 Ų117.482%0.82275%0.753SS**  175.9127.7124.134.30000112.8
213F23.7Very low29.7Very low182 Ų182115.3 Ų115.380%0.79875%0.753SS**  trans-43.6157.7155.3-110.1-129.7000113.3
214D26.1Very low29.2Very low143 Ų143118 Ų11877%0.76577%0.766SS**  -164.2161.256.6-120.4-44.5000112.8
215P34.9Very low28.9Very low93 Ų93119.4 Ų119.460%0.60477%0.766SS**  trans-113.6158.6-179.939-24.2000115.1
216D26.1Very low28.4Very low159 Ų159123.4 Ų123.485%0.8577%0.769SS**  trans171.5144149.9-102.3-19.8000106.7
217E29.5Very low28.2Very low181 Ų181127.4 Ų127.485%0.84678%0.781SS**  cis-162.8149.331.8-148.1178.6175.600110.7
218A29.3Very low28.2Very low95 Ų95129 Ų12979%0.78578%0.784SS**  trans-51.9171.716800000115
219A28.7Very low28.1Very low99 Ų99126.6 Ų126.682%0.81878%0.782SS**  cis-178.5165-3.300000108.8
220G25.9Very low27.7Very low84 Ų84130.5 Ų130.587%0.86679%0.79SS**  trans95.4134.1148.300000116.1
221G26.1Very low27.7Very low74 Ų74135.1 Ų135.176%0.76379%0.794SS**  cis173.11561.300000110.5
222S28.8Very low27.5Very low124 Ų124136.3 Ų136.387%0.86779%0.79SS**  trans46.6114.5148.8-125.90000119.9
223A27.4Very low27.5Very low80 Ų80136.4 Ų136.466%0.66179%0.785SS**  93.6116.766.300000114.4
224E28.7Very low27.6Very low175 Ų175133.7 Ų133.782%0.81878%0.779SS**  trans76.7118.7139.4-52.7-76146.700121.5
225D27.1Very low27.6Very low122 Ų122134.3 Ų134.365%0.65278%0.781SS**  119.5144.4113.3-128.3-8000123.1
226F22.6Very low27.1Very low164 Ų164138.4 Ų138.472%0.71979%0.792SS**  trans86.998.8160-72.1-76.6000126
227L26.5Very low27.7Very low150 Ų150135.6 Ų135.679%0.78578%0.782SS**  34.7-176.5122.4-49.6178.9000124
228P33.2Very low27.4Very low118 Ų118133.6 Ų133.677%0.76678%0.778SS**  -123.4-179.4-108.534.4-10.1000114.5
229V26.8Very low27.2Very low145 Ų145137.1 Ų137.188%0.87978%0.782SS**  trans-132.5126.9172.81720000111.1
230Q25.4Very low27.2Very low180 Ų180140.6 Ų140.684%0.84178%0.782SS**  trans-85.7155166.9-75.8158.7-58.800110.8
231E26.7Very low27.3Very low200 Ų200145.4 Ų145.494%0.93578%0.782SS**  trans-135.4125.4160.6-136.2170.4-158.900109
232E25Very low27.3Very low161 Ų161150.2 Ų150.275%0.75278%0.784SS**  trans-115.3172.4178.1-97-173.6170.300110.1
233L28.8Very low27.2Very low136 Ų136152.4 Ų152.471%0.71278%0.784SS**  trans97129.4159.2-48.5-176.3000114.8
234N25.1Very low27.1Very low125 Ų125155.1 Ų155.167%0.66878%0.783SS**  cis178.9164.410.6-117.7-9.5000113
235L26.4Very low26.9Very low156 Ų156157.1 Ų157.182%0.81778%0.783SS**  trans102.4124.3142.3-100.277.5000122.9
236E24.9Very low27Very low178 Ų178160.1 Ų160.183%0.83279%0.793SS**  trans-87-154.2-172.2-44.1-172.1129.600114.9
237P38.3Very low27.1Very low100 Ų100161.2 Ų161.265%0.64980%0.801SS**  cis-144.4179.4-4.230.3-3.9000120.3
238D23.7Very low27.1Very low140 Ų140160.7 Ų160.775%0.74980%0.804SS**  trans73.9121147.1-71.1-12.7000124
239L25.3Very low26.7Very low168 Ų168161.9 Ų161.988%0.8880%0.802SS**  -171.2132.6107.5-143.482.4000112.8
240E28.4Very low26.8Very low172 Ų172158.7 Ų158.780%0.80480%0.799SS**  trans-76.8152.1168.2-87.3146.914000114
241E29.1Very low26.9Very low185 Ų185158.9 Ų158.986%0.86480%0.8SS**  trans-158.7129.8142.8-116.2178.1-166.500113.6
242H25.3Very low26.9Very low176 Ų176152.3 Ų152.382%0.81579%0.787SS**  trans-86.4140.5169.6-97.354.9000110.7
243I26.9Very low27.2Very low169 Ų169156.8 Ų156.887%0.86780%0.797SS**  trans-142.2127.7148.6-58.9-176.9000111.5
244E24.6Very low27.3Very low138 Ų138158 Ų15865%0.64580%0.803SS**  trans-81.6162173.1-83-171.2173.600114.7
245R24.8Very low27.5Very low217 Ų217160.4 Ų160.482%0.81981%0.814SS**  trans73.9122.4148.6-74.7161.7-169.8-141.3-6.7120.2
246Q28.3Very low27.7Very low185 Ų185164.2 Ų164.286%0.86482%0.817SS**  -167.3122.5104.6-119.2173.3-32.900113.5
247Q26.2Very low27.8Very low186 Ų186165.1 Ų165.187%0.86982%0.821SS**  trans-78.5147.9157.8-75.5171.4-9.200109.7
248V26.2Very low27.4Very low140 Ų140165.2 Ų165.285%0.84883%0.83SS**  trans-133.2130.3156.7177.40000110.2
249L24.4Very low27.7Very low142 Ų142163.4 Ų163.474%0.74384%0.835SS**  trans-88.6143.7-178.8-138.7137.3000109.3E251L249-E251 HydrophobicContact CD2-CG 3.84Å
250G29.1Very low28Very low79 Ų79160.2 Ų160.281%0.81483%0.832SS**  trans-144.7100.9171.500000110.6
251E28.2Very low28Very low183 Ų183163.4 Ų163.486%0.85584%0.837SS**  trans-75.7149.3179.9-68.1179.313300113.4L249L249-E251 HydrophobicContact CD2-CG 3.84Å
252G26.8Very low28.1Very low63 Ų63164.1 Ų164.165%0.64984%0.841SS**  113.9104.2129.400000117.6
253R31.2Very low28.3Very low255 Ų255164.8 Ų164.896%0.96284%0.844SS**  -168.5117.5124.7-99.9164.6-153.5-129.77.4111.2
254L30Very low28.8Very low161 Ų161165.6 Ų165.684%0.84384%0.844SS**  trans-73.6138.9174.2-80.271.5000111.7
255I30.4Very low29.3Very low176 Ų176168.5 Ų168.590%0.90386%0.858SS**  trans-138.5138.6143.5-59.4-176.2000108.8
256R29.8Very low29.9Very low235 Ų235167 Ų16789%0.88786%0.86SS**  trans-73.8150.7-163.6-69.9174.2167.4167.2-4.5115.2
257H27.2Very low30.8Very low198 Ų198166.7 Ų166.792%0.91786%0.859SS**  trans-55.9146.4173.1-73.6-94.3000115.6
258A30.4Very low31.7Very low101 Ų101163.6 Ų163.684%0.83585%0.854SS**  trans-123.2148153.100000109.4
259A29Very low32.6Very low102 Ų102162.8 Ų162.884%0.84385%0.852SS**  trans-61.5134.9-155.700000118.2
260A30.7Very low33.9Very low101 Ų101160.1 Ų160.184%0.83585%0.851SS**  trans25104.8141.700000119.3
261R28.8Very low34.8Very low240 Ų240161.6 Ų161.691%0.90686%0.855SS**  trans-120.4133.7139.3-97.9178.9170.5164.9-3107.4E263R261-E263 PolarHBondContact O-N 3.09Å
262Q31Very low36Very low200 Ų200158.3 Ų158.394%0.93585%0.847SS**PPolyproline II helixtrans-56.1123.5179.9-70168.1-42.800109.7
263E30.5Very low37.4Very low189 Ų189158.5 Ų158.588%0.88384%0.839SS**PPolyproline II helixtrans-79.6119.8167.9-69.8171.4165.400107.3R261R261-E263 PolarHBondContact O-N 3.09Å
264E36.5Very low38.6Very low187 Ų187153.3 Ų153.387%0.87483%0.83SS**PPolyproline II helixtrans-81.1121.5154.9-73.2-177.6160.400106.1E266E264-E266 PolarHBondContact O-N 3.35Å; E264-E266 VanDerWaalsContact O-N 3.15Å
265E35.2Very low39.5Very low198 Ų198154.8 Ų154.893%0.92582%0.824SS**  trans-64106.8169.5-85.4178.7139.800108.9
266E38.8Very low40.6Very low187 Ų187150.2 Ų150.287%0.87481%0.805SS**PPolyproline II helixtrans-91.1116.2158.2-85.4-169.4151.300108.5E264E264-E266 PolarHBondContact O-N 3.35Å; E264-E266 VanDerWaalsContact O-N 3.15Å
267E46.6Very low41.8Very low178 Ų178146.2 Ų146.283%0.83280%0.8SS**PPolyproline II helixtrans-57.2140.9165.1-74.1-171.2148.600110.2
268P44.2Very low43.1Very low120 Ų120143.6 Ų143.678%0.77979%0.788SS**PPolyproline II helixtrans-66.3132.4174.627.5-32.4000109.9A270P268-A270 PolarHBondContact O-N 3.08Å
269P46.5Very low44.4Very low124 Ų124142.9 Ų142.981%0.80577%0.77SS**PPolyproline II helixtrans-65.7136.8173.326.8-32000109.5A271P269-A271 PolarHBondContact O-N 3.28Å
270A51Low45.7Very low86 Ų86143.4 Ų143.471%0.71177%0.765SS**PPolyproline II helixtrans-51.4139.3175.300000110.8P268 V272P268-A270 PolarHBondContact O-N 3.08Å; A270-V272 PolarHBondContact O-N 3.23Å
271A46.9Very low46.9Very low109 Ų109148.7 Ų148.790%0.90177%0.765SS**  trans-61.297.8178.700000110.5P269 S273P269-A271 PolarHBondContact O-N 3.28Å; A271-S273 PolarHBondContact O-N 2.71Å
272V54.9Low48.4Very low115 Ų115139.4 Ų139.470%0.69774%0.739SS**  trans-77.7116.7170.3-1770000107.2A270 N274 T276A270-V272 PolarHBondContact O-N 3.23Å; V272-N274 PolarHBondContact O-N 2.87Å; V272-T276 WeakPolarHBondContact CG1-OG1 3.17Å
273S55.6Low49.6Very low67 Ų67134.8 Ų134.847%0.46974%0.736SS.*  trans-59.2132176.4178.30000110.2A271 W275 T276A271-S273 PolarHBondContact O-N 2.71Å; S273-W275 PolarHBondContact O-N 3.39Å; S273-T276 PolarHBondContact O-N 2.78Å; S273-T276 VanDerWaalsContact O-N 3.1Å; S273-T276 PolarHBondContact O-OG1 3.44Å
274N56.5Low50.9Low146 Ų146133.5 Ų133.578%0.78173%0.734SS**THydrogen-bonded Turntrans-58.7-6.2177.2-76-31.6000114.2V272V272-N274 PolarHBondContact O-N 2.87Å
275W49.4Very low51.5Low191 Ų191127.9 Ų127.972%0.72373%0.726SS**THydrogen-bonded Turntrans-98.4-9.3-179-59.2100.8000114.4S273 L277 H278S273-W275 PolarHBondContact O-N 3.39Å; W275-L277 PolarHBondContact O-N 3.31Å; W275-L277 VanDerWaalsContact O-N 3.1Å; W275-H278 PolarHBondContact O-N 2.96Å
276T53.1Low52.3Low80 Ų80121.8 Ų121.849%0.49172%0.717SS.*THydrogen-bonded Turntrans-63.6-16.1177.526.10000114V272 S273V272-T276 WeakPolarHBondContact CG1-OG1 3.17Å; S273-T276 PolarHBondContact O-N 2.78Å; S273-T276 VanDerWaalsContact O-N 3.1Å; S273-T276 PolarHBondContact O-OG1 3.44Å
277L55.1Low52.7Low152 Ų152121 Ų12180%0.79672%0.719SS**THydrogen-bonded Turntrans-86.8-4176.1-65.9171.9000113.7W275W275-L277 PolarHBondContact O-N 3.31Å; W275-L277 VanDerWaalsContact O-N 3.1Å
278H53.4Low53Low142 Ų142123.4 Ų123.466%0.65772%0.72SS**SBendtrans-116.87.9-176.3-69.9-58.3000113.7W275 P280W275-H278 PolarHBondContact O-N 2.96Å; H278-P280 WeakPolarHBondContact O-CD 3.16Å
279D58.3Low53.6Low86 Ų86123.6 Ų123.646%0.4672%0.721SS.*  trans-84.4113.8174.7-176.8-2.1000110.6Y281 A282D279-Y281 PolarHBondContact O-N 3.48Å; D279-Y281 PolarHBondContact OD1-N 2.99Å; D279-A282 HydrophobicContact CB-CB 4.03Å; D279-A282 PolarHBondContact O-N 2.93Å
280P56.7Low53.9Low114 Ų114126 Ų12674%0.7473%0.726SS**THydrogen-bonded Turntrans-69.2-8.9-179.627.7-32.9000114.2H278H278-P280 WeakPolarHBondContact O-CD 3.16Å
281Y56.4Low54.1Low212 Ų212128.2 Ų128.283%0.83173%0.731SS**THydrogen-bonded Turntrans-109.51.9177.8-60.3-79.5000113.7D279 A283D279-Y281 PolarHBondContact O-N 3.48Å; D279-Y281 PolarHBondContact OD1-N 2.99Å; Y281-A283 PolarHBondContact O-N 3.07Å
282A59.8Low54.3Low44 Ų44129.3 Ų129.336%0.36473%0.729SS.*SBendtrans-68.3116.5173.300000110.1D279 L284D279-A282 HydrophobicContact CB-CB 4.03Å; D279-A282 PolarHBondContact O-N 2.93Å; A282-L284 PolarHBondContact O-N 3.24Å
283A56.3Low54.5Low104 Ų104126.8 Ų126.886%0.8673%0.727SS**  trans-68.291.8178.500000110.5Y281 G285Y281-A283 PolarHBondContact O-N 3.07Å; A283-G285 PolarHBondContact O-N 3.4Å
284L56.6Low54.3Low161 Ų161135.2 Ų135.284%0.84375%0.748SS**  trans-66.7101.6172-76.8157.9000109.2A282A282-L284 PolarHBondContact O-N 3.24Å
285G50.9Low53.8Low69 Ų69134.2 Ų134.271%0.71175%0.751SS**PPolyproline II helixtrans-59.2136.7165.100000110.3A283A283-G285 PolarHBondContact O-N 3.4Å
286G50.4Low53.5Low71 Ų71135.7 Ų135.773%0.73276%0.758SS**PPolyproline II helixtrans-50.9149.7-165.900000116.8R288G286-R288 PolarHBondContact O-N 2.96Å
287D47.4Very low53.2Low170 Ų170143.6 Ų143.691%0.90978%0.779SS**PPolyproline II helixtrans-46.4118.8-175.1-71.4-24.2000113.6
288R52.8Low52.9Low229 Ų229140.9 Ų140.986%0.86477%0.768SS**PPolyproline II helixtrans-84.8136.9166.1-62.9-175.2-172.1-170.53.3109.2G286 L290G286-R288 PolarHBondContact O-N 2.96Å; R288-L290 PolarHBondContact O-N 2.77Å
289P56.8Low52.5Low124 Ų124139.2 Ų139.281%0.80577%0.77SS**PPolyproline II helixtrans-64.9130.5178.124.6-31.6000111.3T291P289-T291 PolarHBondContact O-N 2.89Å
290L53.7Low51.6Low174 Ų174143.5 Ų143.591%0.91179%0.793SS**PPolyproline II helixtrans-64.1127.6-177.1-63.4167.9000111.6R288R288-L290 PolarHBondContact O-N 2.77Å
291T54.3Low51.6Low133 Ų133141.9 Ų141.982%0.81680%0.797SS**PPolyproline II helixtrans-96.1130.1170.147.50000110.3P289 G293P289-T291 PolarHBondContact O-N 2.89Å; T291-G293 PolarHBondContact O-N 3.06Å
292P52.2Low51.3Low131 Ų131138.1 Ų138.185%0.85179%0.79SS**PPolyproline II helixtrans-74119.4-178.528-32.7000111.3
293G58.1Low50.5Low63 Ų63143.5 Ų143.565%0.64981%0.813SS**PPolyproline II helixtrans-75.4161.4169.600000113T291 C295T291-G293 PolarHBondContact O-N 3.06Å; G293-C295 PolarHBondContact O-N 3.31Å
294R52Low50.2Low244 Ų244146.1 Ų146.192%0.92181%0.813SS**PPolyproline II helixtrans-71.1120.1179.2-77-177.1176.4-154.10.2111.3
295C45.3Very low49.8Very low124 Ų124142.3 Ų142.384%0.83881%0.812SS**PPolyproline II helixtrans-79.4135.2173.6-57.30000111.8G293G293-C295 PolarHBondContact O-N 3.31Å
296Y44.9Very low49.3Very low222 Ų222141.8 Ų141.887%0.87181%0.807SS**PPolyproline II helixtrans-68.6145.7176.1-45.5-87.1000111.2
297R46.4Very low49.2Very low247 Ų247148.7 Ų148.793%0.93282%0.817SS**PPolyproline II helixtrans-65.8140-174.7-72.8-172.4-178.4-173.60.9112.4
298V48.3Very low49.4Very low94 Ų94150.5 Ų150.557%0.5781%0.811SS**PPolyproline II helixtrans-64.3140.7170.1179.90000109.6L302V298-L302 HydrophobicContact CG1-CB 3.72Å; V298-L302 HydrophobicContact CG1-CD1 4.2Å
299P45.5Very low49.3Very low107 Ų107150.2 Ų150.270%0.69582%0.816SS**PPolyproline II helixtrans-55.9143.5176.6-25.134.2000113.2G301P299-G301 PolarHBondContact O-N 2.84Å
300D39.5Very low49.1Very low177 Ų177154.5 Ų154.595%0.94782%0.816SS**THydrogen-bonded Turntrans-59.5117.8-177-74.3-33.2000111.4
301G55.3Low48.7Very low79 Ų79156 Ų15681%0.81482%0.815SS**THydrogen-bonded Turntrans138.5-12.6-177.500000115P299P299-G301 PolarHBondContact O-N 2.84Å
302L51.4Low48.2Very low133 Ų133161.3 Ų161.370%0.69682%0.82SS**  trans-11525.6178.8-88.7161000113.3V298 D304V298-L302 HydrophobicContact CG1-CB 3.72Å; V298-L302 HydrophobicContact CG1-CD1 4.2Å; L302-D304 PolarHBondContact O-N 3.09Å
303D42.2Very low47.8Very low158 Ų158160.2 Ų160.285%0.84582%0.815SS**  trans-88.799.4177.2-152.611.7000109.9G305D303-G305 PolarHBondContact O-N 3.31Å
304D49.4Very low47.5Very low159 Ų159163.5 Ų163.585%0.8582%0.823SS**  trans-71.561.4175.7-85.4-38.2000111.3L302 G306L302-D304 PolarHBondContact O-N 3.09Å; D304-G306 PolarHBondContact O-N 3.03Å
305G48.8Very low47.6Very low80 Ų80159.8 Ų159.883%0.82582%0.82SS**  trans-75.167.1171.500000112D303D303-G305 PolarHBondContact O-N 3.31Å
306G41.5Very low48.4Very low58 Ų58160.2 Ų160.260%0.59881%0.81SS**  trans-150.5111.2-18000000113.3D304 R308D304-G306 PolarHBondContact O-N 3.03Å; G306-R308 VanDerWaalsContact C-N 3.31Å; G306-R308 PolarHBondContact O-N 3.3Å
307K47.1Very low49.4Very low217 Ų217155.2 Ų155.294%0.94380%0.798SS**  trans-5779.4179.6-61.5179.8-178.2178.70113.2
308R51.5Low50.2Low208 Ų208150 Ų15079%0.78578%0.783SS**  trans-139.6110162.7-71.8-174.6172.9164.8-3.3108.4G306 R310G306-R308 VanDerWaalsContact C-N 3.31Å; G306-R308 PolarHBondContact O-N 3.3Å; R308-R310 VanDerWaalsContact C-N 3.32Å; R308-R310 PolarHBondContact O-N 3.44Å
309K50.6Low50.6Low222 Ų222154.8 Ų154.897%0.96579%0.79SS**  trans-59.195.6165.1-87.4-174.6174.1179.70108.1
310R52.4Low51.5Low215 Ų215152.1 Ų152.181%0.81177%0.774SS**  trans-91.3128.6156.3-72.2-176.6175.1176.3-1.2107R308 R312R308-R310 VanDerWaalsContact C-N 3.32Å; R308-R310 PolarHBondContact O-N 3.44Å; R310-R312 PolarHBondContact O-N 3.42Å
311K45.7Very low53.1Low206 Ų206150.3 Ų150.390%0.89675%0.754SS**  trans-52.9125.8175.8-74.2177.5176.1178.90107.5S313K311-S313 PolarHBondContact O-N 3.07Å
312R43.5Very low53.4Low243 Ų243151.4 Ų151.492%0.91774%0.737SS**  trans-57.1108.9167.5-74-178.5171.5-179.6-4106.8R310 V314R310-R312 PolarHBondContact O-N 3.42Å; R312-V314 PolarHBondContact O-N 3.25Å
313S45Very low53.8Low108 Ų108153.1 Ų153.176%0.75573%0.734SS**  trans-66.3115.3162.349.70000106K311 L315K311-S313 PolarHBondContact O-N 3.07Å; S313-L315 PolarHBondContact O-N 3.18Å; S313-L315 VanDerWaalsContact O-N 3.12Å
314V51.7Low54.6Low132 Ų132147.9 Ų147.980%0.872%0.718SS**PPolyproline II helixtrans-50.5120.7166.3177.40000106.2R312 Q316R312-V314 PolarHBondContact O-N 3.25Å; V314-Q316 PolarHBondContact O-N 2.98Å; V314-Q316 VanDerWaalsContact O-N 3.08Å
315L53.6Low55Low166 Ų166143 Ų14387%0.86970%0.699SS**PPolyproline II helixtrans-53119.4172.2-92.8150.8000106.7S313 D317S313-L315 PolarHBondContact O-N 3.18Å; S313-L315 VanDerWaalsContact O-N 3.12Å; L315-D317 PolarHBondContact O-N 2.7Å
316Q62.8Low55Low134 Ų134146.2 Ų146.263%0.62669%0.691SS**PPolyproline II helixtrans-58.9140.2174.5-74.6-146.325.400108.8V314 F318 S320 W321V314-Q316 PolarHBondContact O-N 2.98Å; V314-Q316 VanDerWaalsContact O-N 3.08Å; Q316-F318 PolarHBondContact O-N 3.15Å; Q316-S320 PolarHBondContact OE1-OG 3.32Å; Q316-W321 HydrophobicContact CB-CB 4.24Å
317D65.3Low55.5Low116 Ų116149.5 Ų149.562%0.6269%0.691SS**PPolyproline II helixtrans-55.9136.4175.4-169.49.6000108.7L315 R319 S320 W321L315-D317 PolarHBondContact O-N 2.7Å; D317-R319 PolarHBondContact O-N 3.41Å; D317-S320 WeakPolarHBondContact O-CA 3.35Å; D317-S320 PolarHBondContact O-N 3.37Å; D317-S320 PolarHBondContact O-OG 3.43Å; D317-S320 VanDerWaalsContact O-OG 3.09Å; D317-W321 PolarHBondContact O-N 3.33Å
318F63.3Low55.8Low139 Ų139143.7 Ų143.761%0.6168%0.675SS**Hα-helixtrans-54.1-34.8-171.9175.4-99.4000111.2Q316 W321 F322Q316-F318 PolarHBondContact O-N 3.15Å; F318-W321 HydrophobicContact CD2-CE3 4.1Å; F318-W321 HydrophobicContact CD2-CZ3 4.23Å; F318-W321 HydrophobicContact CE2-CE3 4.14Å; F318-W321 AromaticContact CE2-CZ3 3.83Å; F318-W321 HydrophobicContact CE2-CZ3 3.83Å; F318-F322 HydrophobicContact CZ-CD2 4.33Å; F318-F322 WeakPolarHBondContact O-CB 3.4Å; F318-F322 PolarHBondContact O-N 3.35Å
319R56.3Low55.9Low194 Ų194139.6 Ų139.673%0.73268%0.675SS**Hα-helixtrans-69.3-35.1174.8-76.7-177.3161.2153-3.6114.3D317 R323D317-R319 PolarHBondContact O-N 3.41Å; R319-R323 WeakPolarHBondContact O-CB 3.4Å; R319-R323 PolarHBondContact O-N 3.48Å
320S65.5Low56.1Low51 Ų51133.3 Ų133.336%0.35765%0.649SS.*Hα-helixtrans-74.9-38.2177.581.50000111.3Q316 D317 G324Q316-S320 PolarHBondContact OE1-OG 3.32Å; D317-S320 WeakPolarHBondContact O-CA 3.35Å; D317-S320 PolarHBondContact O-N 3.37Å; D317-S320 PolarHBondContact O-OG 3.43Å; D317-S320 VanDerWaalsContact O-OG 3.09Å; S320-G324 PolarHBondContact O-N 3.29Å
321W71.9Confident56.4Low139 Ų139126.6 Ų126.653%0.52763%0.634SS.*Hα-helixtrans-67.3-45.6172.6172.378.5000111.8Q316 D317 F318 R323 G324 A325Q316-W321 HydrophobicContact CB-CB 4.24Å; D317-W321 PolarHBondContact O-N 3.33Å; F318-W321 HydrophobicContact CD2-CE3 4.1Å; F318-W321 HydrophobicContact CD2-CZ3 4.23Å; F318-W321 HydrophobicContact CE2-CE3 4.14Å; F318-W321 AromaticContact CE2-CZ3 3.83Å; F318-W321 HydrophobicContact CE2-CZ3 3.83Å; W321-R323 PolarHBondContact O-N 3.4Å; W321-G324 PolarHBondContact O-N 3.03Å; W321-A325 VanDerWaalsContact O-CB 3.26Å; W321-A325 WeakPolarHBondContact O-CB 3.33Å; W321-A325 PolarHBondContact O-N 3.3Å
322F62.9Low56.9Low102 Ų102123 Ų12345%0.44762%0.618SS.*Hα-helixtrans-61.6-44.7178.7-174.7-92.6000111.5F318 F326F318-F322 HydrophobicContact CZ-CD2 4.33Å; F318-F322 WeakPolarHBondContact O-CB 3.4Å; F318-F322 PolarHBondContact O-N 3.35Å; F322-F326 HydrophobicContact CD2-CD2 4.17Å; F322-F326 HydrophobicContact CD2-CE2 4.38Å; F322-F326 HydrophobicContact CE2-CD2 4.17Å; F322-F326 HydrophobicContact CE2-CE2 4.32Å; F322-F326 PolarHBondContact O-N 3.46Å; F322-F326 VanDerWaalsContact O-N 3.16Å
323R58.7Low57.8Low168 Ų168112.5 Ų112.563%0.63458%0.58SS**Hα-helixtrans-65.7-45.2171.8-79.2-155.2-76.3-152.3-1.8112.1R319 W321 A325 F326 Q327R319-R323 WeakPolarHBondContact O-CB 3.4Å; R319-R323 PolarHBondContact O-N 3.48Å; W321-R323 PolarHBondContact O-N 3.4Å; R323-A325 VanDerWaalsContact C-N 3.26Å; R323-A325 PolarHBondContact O-N 2.92Å; R323-F326 PolarHBondContact O-N 3.2Å; R323-Q327 CarbonylContact O-C 3.11Å; R323-Q327 VanDerWaalsContact O-CA 3.28Å; R323-Q327 WeakPolarHBondContact O-CA 3.31Å; R323-Q327 PolarHBondContact O-N 3.24Å
324G58.3Low58.6Low49 Ų49113.2 Ų113.251%0.50557%0.569SS.*Hα-helixtrans-63.1-28.1179.300000114.7S320 W321S320-G324 PolarHBondContact O-N 3.29Å; W321-G324 PolarHBondContact O-N 3.03Å
325A58.2Low59.1Low56 Ų56110.8 Ų110.846%0.46356%0.555SS.*Hα-helixtrans-86.1-30.9-179.900000113.6W321 R323W321-A325 VanDerWaalsContact O-CB 3.26Å; W321-A325 WeakPolarHBondContact O-CB 3.33Å; W321-A325 PolarHBondContact O-N 3.3Å; R323-A325 VanDerWaalsContact C-N 3.26Å; R323-A325 PolarHBondContact O-N 2.92Å
326F49.5Very low59.5Low148 Ų148104.4 Ų104.465%0.64953%0.529SS*.Hα-helixtrans-116.3-13.5-174.1-69.5-82.8000114.8F322 R323F322-F326 HydrophobicContact CD2-CD2 4.17Å; F322-F326 HydrophobicContact CD2-CE2 4.38Å; F322-F326 HydrophobicContact CE2-CD2 4.17Å; F322-F326 HydrophobicContact CE2-CE2 4.32Å; F322-F326 PolarHBondContact O-N 3.46Å; F322-F326 VanDerWaalsContact O-N 3.16Å; R323-F326 PolarHBondContact O-N 3.2Å
327Q52.2Low59.6Low127 Ų127100.3 Ų100.359%0.59351%0.514SS*.SBendtrans-140.781.7173.7-89.9-176.3-3200109.4R323R323-Q327 CarbonylContact O-C 3.11Å; R323-Q327 VanDerWaalsContact O-CA 3.28Å; R323-Q327 WeakPolarHBondContact O-CA 3.31Å; R323-Q327 PolarHBondContact O-N 3.24Å
328P53.1Low59.2Low94 Ų9499.8 Ų99.861%0.6152%0.52SS*.  trans-56.4137.9174.323.7-31.7000109.4E330P328-E330 PolarHBondContact O-N 3.07Å
329P53.4Low59.3Low122 Ų12299.4 Ų99.479%0.79252%0.518SS*.  trans-61.6111.9-179.723.8-31.8000109.1
330E55.3Low59.7Low91 Ų9193 Ų9343%0.42550%0.501SS..PPolyproline II helixtrans-66134.5176.9-68.6-163.4-17600109.7P328 K332 N343P328-E330 PolarHBondContact O-N 3.07Å; E330-K332 PolarHBondContact O-N 3.42Å; E330-N343 WeakPolarHBondContact OE2-CB 3.42Å; E330-N343 PolarHBondContact OE2-ND2 3.14Å
331P57.8Low59.8Low74 Ų7496.5 Ų96.548%0.48152%0.516SS..PPolyproline II helixtrans-69.6131.2-177.431.5-36.2000109.8L333 L380P331-L333 PolarHBondContact O-N 3.26Å; P331-L380 HydrophobicContact CB-CD1 3.54Å; P331-L380 HydrophobicContact CB-CD2 3.98Å; P331-L380 HydrophobicContact CB-CG 3.95Å; P331-L380 HydrophobicContact CG-CD1 3.93Å
332K57.5Low59.8Low129 Ų12993.4 Ų93.456%0.56151%0.509SS*.PPolyproline II helixtrans-67.2124.4-179.6-64.6-179.5179.8-1780110.1E330 E381E330-K332 PolarHBondContact O-N 3.42Å; K332-E381 HydrophobicContact CB-CB 4.21Å; K332-E381 PolarHBondContact O-N 3.41Å
333L61.5Low60.3Low23 Ų2389 Ų8912%0.1249%0.49CS..BIsolated β-bridgetrans-85.1134.5171.6-61.6-178.2000109.4P331 V335 N343 Y346 L347 L378 L380P331-L333 PolarHBondContact O-N 3.26Å; L333-V335 PolarHBondContact O-N 2.6Å; L333-N343 WeakPolarHBondContact CD1-OD1 3.47Å; L333-N343 WeakPolarHBondContact CG-OD1 3.49Å; L333-Y346 HydrophobicContact CD1-CD1 3.51Å; L333-Y346 HydrophobicContact CD1-CE1 3.61Å; L333-L347 HydrophobicContact CD1-CD2 4.23Å; L333-L378 HydrophobicContact CD1-CD2 4.11Å; L333-L378 HydrophobicContact CD2-CD2 3.97Å; L333-L380 HydrophobicContact CD2-CD1 3.96Å
334K61.6Low61Low123 Ų12387.4 Ų87.454%0.53549%0.486SS..SBendtrans-63.6-29175.2-70.4-174.5-177.3176.90112.9Q379 L380 E381K334-Q379 HydrophobicContact CB-CB 4.24Å; K334-Q379 WeakPolarHBondContact CB-O 3.5Å; K334-Q379 HydrophobicContact CD-CB 4Å; K334-Q379 HydrophobicContact CG-CB 4.37Å; K334-Q379 WeakPolarHBondContact CG-O 3.41Å; K334-Q379 PolarHBondContact N-O 3.06Å; K334-L380 WeakPolarHBondContact CE-O 3.2Å; K334-E381 HydrophobicContact CG-CB 4.09Å
335V62.3Low61.8Low81 Ų8189 Ų8949%0.49148%0.482SS..SBendtrans-122.682.2176.2-173.70000106.6L333 Y346L333-V335 PolarHBondContact O-N 2.6Å; V335-Y346 VanDerWaalsContact O-CE1 3.23Å; V335-Y346 WeakPolarHBondContact O-CE1 3.28Å; V335-Y346 PolarHBondContact O-OH 2.84Å
336G61.3Low62.7Low33 Ų3387.3 Ų87.334%0.3446%0.464SS..SBendtrans-154.1169-179.100000110.8
337P65.1Low64Low48 Ų4883.9 Ų83.931%0.31245%0.452SS..  trans-56.4146.4175.822.6-31.2000110.6F339 L342 Y346P337-F339 PolarHBondContact O-N 3.21Å; P337-L342 HydrophobicContact CB-CB 3.98Å; P337-L342 HydrophobicContact CG-CB 3.83Å; P337-Y346 VanDerWaalsContact CD-CB 3.48Å
338S58.3Low65.1Low104 Ų10487 Ų8773%0.72746%0.458SS*.SBendtrans-59-19.2-174.7650000113.9
339F65.6Low66.3Low132 Ų13285.1 Ų85.158%0.57945%0.445SS*.SBendtrans-106.2124.6178.6-61-75.6000110.9P337 D341 L342P337-F339 PolarHBondContact O-N 3.21Å; F339-D341 PolarHBondContact O-N 3.39Å; F339-L342 HydrophobicContact CB-CD1 4.16Å; F339-L342 HydrophobicContact CB-CG 4.21Å; F339-L342 HydrophobicContact CD2-CD1 4.24Å; F339-L342 PolarHBondContact O-N 2.98Å
340P64.5Low67.5Low58 Ų5880 Ų8038%0.37741%0.411SS..G310 helixtrans-57.3-33.5176.9-23.833000113.1L342 N343P340-L342 PolarHBondContact O-N 2.96Å; P340-L342 VanDerWaalsContact O-N 3.12Å; P340-N343 WeakPolarHBondContact O-CB 3.42Å; P340-N343 PolarHBondContact O-N 3.26Å
341D65.9Low68.5Low126 Ų12682.7 Ų82.767%0.67442%0.417SS*.G310 helixtrans-66.4-14.6179.6-62.5-5.5000113.2F339 Y344F339-D341 PolarHBondContact O-N 3.39Å; D341-Y344 WeakPolarHBondContact O-CD1 3.42Å; D341-Y344 WeakPolarHBondContact O-CE1 3.39Å
342L73.4Confident69.6Low73 Ų7382.8 Ų82.838%0.38241%0.413SS..G310 helixtrans-98.41.2175.8-60.8178.3000112.7P337 F339 P340 Y344 L345 Y346P337-L342 HydrophobicContact CB-CB 3.98Å; P337-L342 HydrophobicContact CG-CB 3.83Å; F339-L342 HydrophobicContact CB-CD1 4.16Å; F339-L342 HydrophobicContact CB-CG 4.21Å; F339-L342 HydrophobicContact CD2-CD1 4.24Å; F339-L342 PolarHBondContact O-N 2.98Å; P340-L342 PolarHBondContact O-N 2.96Å; P340-L342 VanDerWaalsContact O-N 3.12Å; L342-Y344 VanDerWaalsContact C-N 3.28Å; L342-Y344 PolarHBondContact O-N 3.3Å; L342-L345 WeakPolarHBondContact O-CB 3.36Å; L342-L345 PolarHBondContact O-N 3.34Å; L342-L345 VanDerWaalsContact O-N 3.09Å; L342-Y346 PolarHBondContact O-N 2.91Å
343N72.9Confident70.6Confident9 Ų980.4 Ų80.45%0.04840%0.403CS..Hα-helixtrans-63.5-34-177.5-169.442.7000112E330 L333 P340 L345 Y346 L347E330-N343 WeakPolarHBondContact OE2-CB 3.42Å; E330-N343 PolarHBondContact OE2-ND2 3.14Å; L333-N343 WeakPolarHBondContact CD1-OD1 3.47Å; L333-N343 WeakPolarHBondContact CG-OD1 3.49Å; P340-N343 WeakPolarHBondContact O-CB 3.42Å; P340-N343 PolarHBondContact O-N 3.26Å; N343-L345 VanDerWaalsContact C-N 3.26Å; N343-L345 PolarHBondContact O-N 3.09Å; N343-Y346 WeakPolarHBondContact O-CB 3.46Å; N343-Y346 PolarHBondContact O-N 3.36Å; N343-Y346 VanDerWaalsContact O-N 3.14Å; N343-L347 WeakPolarHBondContact O-CG 3.16Å; N343-L347 PolarHBondContact O-N 3.2Å
344Y73.8Confident71.6Confident136 Ų13679.4 Ų79.453%0.53340%0.398SS..Hα-helixtrans-58.1-37.4173.280.8-90.1000112.6D341 L342 L347 R348D341-Y344 WeakPolarHBondContact O-CD1 3.42Å; D341-Y344 WeakPolarHBondContact O-CE1 3.39Å; L342-Y344 VanDerWaalsContact C-N 3.28Å; L342-Y344 PolarHBondContact O-N 3.3Å; Y344-L347 PolarHBondContact O-N 3.04Å; Y344-R348 WeakPolarHBondContact O-CB 3.37Å; Y344-R348 PolarHBondContact O-N 2.98Å
345L73.5Confident72.5Confident82 Ų8279.6 Ų79.643%0.42940%0.395SS..Hα-helixtrans-71.5-38.5178.7-16967.1000110.6L342 N343 R348 T349L342-L345 WeakPolarHBondContact O-CB 3.36Å; L342-L345 PolarHBondContact O-N 3.34Å; L342-L345 VanDerWaalsContact O-N 3.09Å; N343-L345 VanDerWaalsContact C-N 3.26Å; N343-L345 PolarHBondContact O-N 3.09Å; L345-R348 WeakPolarHBondContact O-CB 3.47Å; L345-R348 PolarHBondContact O-N 3.29Å; L345-T349 PolarHBondContact O-N 3.49Å; L345-T349 VanDerWaalsContact O-N 3.16Å
346Y78.4Confident73.3Confident21 Ų2184.9 Ų84.98%0.08241%0.406CS..Hα-helixtrans-62.3-47.4173.1-179.4-99.1000111.8L333 V335 P337 L342 N343 R348 T349 L350 F377L333-Y346 HydrophobicContact CD1-CD1 3.51Å; L333-Y346 HydrophobicContact CD1-CE1 3.61Å; V335-Y346 VanDerWaalsContact O-CE1 3.23Å; V335-Y346 WeakPolarHBondContact O-CE1 3.28Å; V335-Y346 PolarHBondContact O-OH 2.84Å; P337-Y346 VanDerWaalsContact CD-CB 3.48Å; L342-Y346 PolarHBondContact O-N 2.91Å; N343-Y346 WeakPolarHBondContact O-CB 3.46Å; N343-Y346 PolarHBondContact O-N 3.36Å; N343-Y346 VanDerWaalsContact O-N 3.14Å; Y346-R348 VanDerWaalsContact C-N 3.28Å; Y346-R348 PolarHBondContact O-N 3.44Å; Y346-T349 PolarHBondContact O-N 2.88Å; Y346-T349 VanDerWaalsContact O-N 3.12Å; Y346-T349 PolarHBondContact O-OG1 3.47Å; Y346-L350 HydrophobicContact CE1-CD1 4.49Å; Y346-L350 PolarHBondContact O-N 3.39Å; Y346-F377 PolarHBondContact OH-O 3.35Å
347L77.1Confident74Confident75 Ų7587 Ų8739%0.39341%0.407SS..Hα-helixtrans-61-34.9176.1-68.8172.8000112.4L333 N343 Y344 L350 L378L333-L347 HydrophobicContact CD1-CD2 4.23Å; N343-L347 WeakPolarHBondContact O-CG 3.16Å; N343-L347 PolarHBondContact O-N 3.2Å; Y344-L347 PolarHBondContact O-N 3.04Å; L347-L350 HydrophobicContact CD2-CD2 4.17Å; L347-L350 WeakPolarHBondContact O-CB 3.45Å; L347-L350 PolarHBondContact O-N 3.39Å; L347-L378 HydrophobicContact CD2-CD2 3.62Å
348R74.8Confident74.7Confident194 Ų19488.7 Ų88.773%0.73241%0.408SS*.Hα-helixtrans-62-43.8173.2-173.7179.2176.7-178.2-1111.9Y344 L345 Y346 L350Y344-R348 WeakPolarHBondContact O-CB 3.37Å; Y344-R348 PolarHBondContact O-N 2.98Å; L345-R348 WeakPolarHBondContact O-CB 3.47Å; L345-R348 PolarHBondContact O-N 3.29Å; Y346-R348 VanDerWaalsContact C-N 3.28Å; Y346-R348 PolarHBondContact O-N 3.44Å; R348-L350 VanDerWaalsContact C-N 3.34Å
349T79.1Confident75.6Confident54 Ų5488 Ų8833%0.33140%0.399SS..Hα-helixtrans-79.6-14.2179.365.90000114.1L345 Y346 R351 D352 K353L345-T349 PolarHBondContact O-N 3.49Å; L345-T349 VanDerWaalsContact O-N 3.16Å; Y346-T349 PolarHBondContact O-N 2.88Å; Y346-T349 VanDerWaalsContact O-N 3.12Å; Y346-T349 PolarHBondContact O-OG1 3.47Å; T349-R351 VanDerWaalsContact C-N 3.3Å; T349-R351 PolarHBondContact O-N 3.09Å; T349-D352 PolarHBondContact O-N 3.27Å; T349-K353 PolarHBondContact O-N 3Å; T349-K353 VanDerWaalsContact O-N 3.08Å
350L78.6Confident76.2Confident14 Ų1485.8 Ų85.87%0.07339%0.393CS..Hα-helixtrans-60.6-38.6-175.5-179.964.8000112.5Y346 L347 R348 D352 K353 V354 F377 L378Y346-L350 HydrophobicContact CE1-CD1 4.49Å; Y346-L350 PolarHBondContact O-N 3.39Å; L347-L350 HydrophobicContact CD2-CD2 4.17Å; L347-L350 WeakPolarHBondContact O-CB 3.45Å; L347-L350 PolarHBondContact O-N 3.39Å; R348-L350 VanDerWaalsContact C-N 3.34Å; L350-D352 VanDerWaalsContact C-N 3.26Å; L350-D352 PolarHBondContact O-N 2.64Å; L350-K353 PolarHBondContact O-N 3.39Å; L350-V354 HydrophobicContact CD1-CG2 4.26Å; L350-V354 HydrophobicContact CG-CG2 4.39Å; L350-V354 WeakPolarHBondContact O-CB 3.3Å; L350-V354 VanDerWaalsContact O-CG2 3.31Å; L350-V354 WeakPolarHBondContact O-CG2 3.48Å; L350-V354 PolarHBondContact O-N 2.94Å; L350-F377 HydrophobicContact CD1-CB 3.3Å; L350-F377 HydrophobicContact CD1-CD1 4.44Å; L350-F377 HydrophobicContact CD1-CD2 4.09Å; L350-F377 HydrophobicContact CD1-CG 3.73Å; L350-L378 HydrophobicContact CD2-CD1 3.99Å; L350-L378 HydrophobicContact CD2-CD2 3.61Å; L350-L378 HydrophobicContact CD2-CG 3.75Å
351R76.3Confident76.9Confident148 Ų14883.8 Ų83.856%0.55838%0.38SS*.Hα-helixtrans-59.5-40.3178.8-169.6-179.9-175-1751.5111.3T349 R355T349-R351 VanDerWaalsContact C-N 3.3Å; T349-R351 PolarHBondContact O-N 3.09Å; R351-R355 WeakPolarHBondContact O-CB 2.96Å; R351-R355 VanDerWaalsContact O-CG 3.26Å; R351-R355 WeakPolarHBondContact O-CG 3.42Å; R351-R355 PolarHBondContact O-N 3.44Å
352D80.1Confident77.3Confident75 Ų7585.9 Ų85.940%0.40138%0.378SS..Hα-helixtrans-76.5-36.1-179.4-59.2-35.1000111.6T349 L350 R355 R356T349-D352 PolarHBondContact O-N 3.27Å; L350-D352 VanDerWaalsContact C-N 3.26Å; L350-D352 PolarHBondContact O-N 2.64Å; D352-R355 PolarHBondContact O-N 3.17Å; D352-R355 IonicContact OD1-NH1 2.69Å; D352-R356 VanDerWaalsContact O-CG 3.31Å; D352-R356 WeakPolarHBondContact O-CG 3.45Å; D352-R356 PolarHBondContact O-N 3.06Å
353K78.9Confident77.6Confident80 Ų8087.4 Ų87.435%0.34839%0.391SS..Hα-helixtrans-61.4-44.9171.4-69.7179-179.7178.70112T349 L350 R355 R356 Q357 F377T349-K353 PolarHBondContact O-N 3Å; T349-K353 VanDerWaalsContact O-N 3.08Å; L350-K353 PolarHBondContact O-N 3.39Å; K353-R355 VanDerWaalsContact C-N 3.34Å; K353-R355 PolarHBondContact O-N 3.28Å; K353-R356 PolarHBondContact O-N 2.68Å; K353-Q357 WeakPolarHBondContact O-CB 3.41Å; K353-Q357 PolarHBondContact O-N 3.03Å; K353-F377 HydrophobicContact CB-CZ 4.4Å
354V81.2Confident77.8Confident2 Ų293 Ų931%0.01242%0.421CS..Hα-helixtrans-63.5-39.9175.7170.20000111.2L350 R358 E370 L373 R374 F377L350-V354 HydrophobicContact CD1-CG2 4.26Å; L350-V354 HydrophobicContact CG-CG2 4.39Å; L350-V354 WeakPolarHBondContact O-CB 3.3Å; L350-V354 VanDerWaalsContact O-CG2 3.31Å; L350-V354 WeakPolarHBondContact O-CG2 3.48Å; L350-V354 PolarHBondContact O-N 2.94Å; V354-R358 VanDerWaalsContact O-CB 3.22Å; V354-R358 WeakPolarHBondContact O-CB 3.45Å; V354-R358 PolarHBondContact O-N 3.12Å; V354-E370 HydrophobicContact CG1-CG 4.03Å; V354-L373 HydrophobicContact CG1-CB 4.03Å; V354-R374 HydrophobicContact CG1-CG 4.22Å; V354-R374 HydrophobicContact CG2-CG 3.82Å; V354-F377 HydrophobicContact CG2-CD2 3.74Å; V354-F377 HydrophobicContact CG2-CE2 4.02Å
355R80.7Confident77.5Confident126 Ų12689.7 Ų89.748%0.47543%0.428SS..Hα-helixtrans-62.9-48.4175.1-77.3168.9170.9-175.1-8.6112.1R351 D352 K353 R358 T359R351-R355 WeakPolarHBondContact O-CB 2.96Å; R351-R355 VanDerWaalsContact O-CG 3.26Å; R351-R355 WeakPolarHBondContact O-CG 3.42Å; R351-R355 PolarHBondContact O-N 3.44Å; D352-R355 PolarHBondContact O-N 3.17Å; D352-R355 IonicContact OD1-NH1 2.69Å; K353-R355 VanDerWaalsContact C-N 3.34Å; K353-R355 PolarHBondContact O-N 3.28Å; R355-R358 PolarHBondContact O-N 3Å; R355-T359 PolarHBondContact O-N 2.7Å; R355-T359 PolarHBondContact O-OG1 2.89Å; R355-T359 VanDerWaalsContact O-OG1 3.07Å
356R79.9Confident77.4Confident193 Ų19389.4 Ų89.473%0.72843%0.429SS*.Hα-helixtrans-59.8-47.6177-71.4176-170.6-1732.5111.4D352 K353 R358 T359 L360D352-R356 VanDerWaalsContact O-CG 3.31Å; D352-R356 WeakPolarHBondContact O-CG 3.45Å; D352-R356 PolarHBondContact O-N 3.06Å; K353-R356 PolarHBondContact O-N 2.68Å; R356-R358 VanDerWaalsContact C-N 3.32Å; R356-R358 PolarHBondContact O-N 2.98Å; R356-T359 PolarHBondContact O-N 3.38Å; R356-L360 PolarHBondContact O-N 3.34Å
357Q76.1Confident76.9Confident76 Ų7694.9 Ų94.936%0.35546%0.464SS..Hα-helixtrans-64.5-37179-163.869.1600111.9K353 L360 C361 L373 F377K353-Q357 WeakPolarHBondContact O-CB 3.41Å; K353-Q357 PolarHBondContact O-N 3.03Å; Q357-L360 PolarHBondContact O-N 3.26Å; Q357-C361 WeakPolarHBondContact O-CB 3.39Å; Q357-C361 PolarHBondContact O-N 3.48Å; Q357-C361 PolarHBondContact O-SG 3.31Å; Q357-L373 HydrophobicContact CB-CD2 3.97Å; Q357-L373 HydrophobicContact CG-CD2 3.43Å; Q357-L373 VanDerWaalsContact CG-CD2 3.43Å; Q357-F377 HydrophobicContact CB-CE2 4.36Å; Q357-F377 HydrophobicContact CB-CZ 4.34Å; Q357-F377 HydrophobicContact CG-CZ 4.43Å
358R79.9Confident76.4Confident85 Ų8594.8 Ų94.832%0.32146%0.463SS..Hα-helixtrans-64.3-40.6174.4-175.7-179.7-179.3172.62.9112.2V354 R355 R356 R362 E370 L373V354-R358 VanDerWaalsContact O-CB 3.22Å; V354-R358 WeakPolarHBondContact O-CB 3.45Å; V354-R358 PolarHBondContact O-N 3.12Å; R355-R358 PolarHBondContact O-N 3Å; R356-R358 VanDerWaalsContact C-N 3.32Å; R356-R358 PolarHBondContact O-N 2.98Å; R358-R362 WeakPolarHBondContact O-CB 3.43Å; R358-R362 VanDerWaalsContact O-CG 3.31Å; R358-R362 WeakPolarHBondContact O-CG 3.49Å; R358-R362 PolarHBondContact O-N 3.07Å; R358-E370 IonicContact NH1-OE2 3.08Å; R358-E370 PolarHBondContact NH1-OE2 3.34Å; R358-L373 HydrophobicContact CB-CD1 3.85Å; R358-L373 HydrophobicContact CG-CD1 4.41Å
359T76.6Confident76.4Confident89 Ų8988.9 Ų88.955%0.54645%0.448SS..Hα-helixtrans-65.8-40.4175.5-54.10000111.1R355 R356 R362 T363R355-T359 PolarHBondContact O-N 2.7Å; R355-T359 PolarHBondContact O-OG1 2.89Å; R355-T359 VanDerWaalsContact O-OG1 3.07Å; R356-T359 PolarHBondContact O-N 3.38Å; T359-R362 PolarHBondContact O-N 3.46Å; T359-T363 WeakPolarHBondContact O-CG2 3.4Å; T359-T363 PolarHBondContact O-N 3.47Å; T359-T363 PolarHBondContact O-OG1 3.01Å
360L79.1Confident75.9Confident85 Ų8589.3 Ų89.345%0.44545%0.446SS..Hα-helixtrans-64.3-46.7174.2-168.782.4000112.1R356 Q357 R362 T363 L364R356-L360 PolarHBondContact O-N 3.34Å; Q357-L360 PolarHBondContact O-N 3.26Å; L360-R362 VanDerWaalsContact C-N 3.3Å; L360-R362 PolarHBondContact O-N 3Å; L360-T363 VanDerWaalsContact CA-OG1 3.3Å; L360-T363 WeakPolarHBondContact CA-OG1 3.18Å; L360-T363 PolarHBondContact O-N 3.22Å; L360-T363 PolarHBondContact O-OG1 2.97Å; L360-L364 HydrophobicContact CD2-CD1 4.37Å; L360-L364 HydrophobicContact CG-CD1 4.02Å; L360-L364 WeakPolarHBondContact O-CB 3.39Å; L360-L364 WeakPolarHBondContact O-CG 3.4Å; L360-L364 PolarHBondContact O-N 3.38Å
361C78.6Confident75.6Confident17 Ų1794.8 Ų94.812%0.11547%0.472CS..Hα-helixtrans-63.3-37.4177.6-67.90000111.6Q357 L364 G365 V366Q357-C361 WeakPolarHBondContact O-CB 3.39Å; Q357-C361 PolarHBondContact O-N 3.48Å; Q357-C361 PolarHBondContact O-SG 3.31Å; C361-L364 CarbonylContact O-C 3.25Å; C361-L364 PolarHBondContact O-N 3.22Å; C361-G365 PolarHBondContact O-N 3.39Å; C361-G365 VanDerWaalsContact O-N 3.16Å; C361-V366 CarbonylContact C-O 3.59Å; C361-V366 VanDerWaalsContact C-O 3.25Å; C361-V366 HydrophobicContact CB-CB 4.43Å; C361-V366 WeakPolarHBondContact CB-O 3.3Å; C361-V366 CarbonylContact O-C 3.55Å; C361-V366 PolarHBondContact O-N 3.35Å
362R74.9Confident75.5Confident169 Ų16991.6 Ų91.664%0.63846%0.463SS*.Hα-helixtrans-63.7-40.2173.6-80.8178.3171.7-174.9-4.8113.1R358 T359 L360 L364 G365R358-R362 WeakPolarHBondContact O-CB 3.43Å; R358-R362 VanDerWaalsContact O-CG 3.31Å; R358-R362 WeakPolarHBondContact O-CG 3.49Å; R358-R362 PolarHBondContact O-N 3.07Å; T359-R362 PolarHBondContact O-N 3.46Å; L360-R362 VanDerWaalsContact C-N 3.3Å; L360-R362 PolarHBondContact O-N 3Å; R362-L364 VanDerWaalsContact C-N 3.33Å; R362-G365 PolarHBondContact O-N 3.46Å
363T78.4Confident75.2Confident106 Ų10688.4 Ų88.465%0.6545%0.446SS*.Hα-helixtrans-71.7-29.3178.145.20000112.2T359 L360 G365T359-T363 WeakPolarHBondContact O-CG2 3.4Å; T359-T363 PolarHBondContact O-N 3.47Å; T359-T363 PolarHBondContact O-OG1 3.01Å; L360-T363 VanDerWaalsContact CA-OG1 3.3Å; L360-T363 WeakPolarHBondContact CA-OG1 3.18Å; L360-T363 PolarHBondContact O-N 3.22Å; L360-T363 PolarHBondContact O-OG1 2.97Å; T363-G365 VanDerWaalsContact C-N 3.34Å
364L78.2Confident74.9Confident127 Ų12789.6 Ų89.667%0.66545%0.448SS*.THydrogen-bonded Turntrans-87.15.7174.3-66170.8000114.2L360 C361 R362 V366L360-L364 HydrophobicContact CD2-CD1 4.37Å; L360-L364 HydrophobicContact CG-CD1 4.02Å; L360-L364 WeakPolarHBondContact O-CB 3.39Å; L360-L364 WeakPolarHBondContact O-CG 3.4Å; L360-L364 PolarHBondContact O-N 3.38Å; C361-L364 CarbonylContact O-C 3.25Å; C361-L364 PolarHBondContact O-N 3.22Å; R362-L364 VanDerWaalsContact C-N 3.33Å; L364-V366 VanDerWaalsContact C-N 3.27Å; L364-V366 PolarHBondContact O-N 2.97Å
365G67.3Low74.5Confident66 Ų6698 Ų9868%0.6848%0.48SS*.THydrogen-bonded Turntrans73.110.6178.200000115.5C361 R362 T363C361-G365 PolarHBondContact O-N 3.39Å; C361-G365 VanDerWaalsContact O-N 3.16Å; R362-G365 PolarHBondContact O-N 3.46Å; T363-G365 VanDerWaalsContact C-N 3.34Å
366V72.3Confident74Confident76 Ų7695.5 Ų95.546%0.46148%0.479SS..  trans-96.9115.6178.5-175.30000109.7C361 L364 M368C361-V366 CarbonylContact C-O 3.59Å; C361-V366 VanDerWaalsContact C-O 3.25Å; C361-V366 HydrophobicContact CB-CB 4.43Å; C361-V366 WeakPolarHBondContact CB-O 3.3Å; C361-V366 CarbonylContact O-C 3.55Å; C361-V366 PolarHBondContact O-N 3.35Å; L364-V366 VanDerWaalsContact C-N 3.27Å; L364-V366 PolarHBondContact O-N 2.97Å; V366-M368 HydrophobicContact CG1-CG 3.98Å; V366-M368 HydrophobicContact CG1-SD 4.13Å; V366-M368 PolarHBondContact O-N 2.99Å
367V67.1Low73.5Confident135 Ų13588.2 Ų88.282%0.81845%0.452SS*.  trans-89.693.6176.9-175.40000109.5
368M66.9Low72.8Confident74 Ų7487.6 Ų87.637%0.36545%0.451SS..  trans-95.4139.6167.2-64.2-54.6-56.200110.3V366 E372 L373V366-M368 HydrophobicContact CG1-CG 3.98Å; V366-M368 HydrophobicContact CG1-SD 4.13Å; V366-M368 PolarHBondContact O-N 2.99Å; M368-E372 HydrophobicContact CE-CB 3.64Å; M368-E372 HydrophobicContact CE-CG 4.22Å; M368-E372 WeakPolarHBondContact CE-OE2 3.47Å; M368-L373 HydrophobicContact CB-CD1 4.17Å; M368-L373 HydrophobicContact CB-CG 4.02Å
369T74.3Confident72Confident69 Ų6988.3 Ų88.342%0.42346%0.458SS..  trans-74.8154.3172.766.40000110.9E371 E372 L373T369-E371 PolarHBondContact O-N 3.27Å; T369-E372 WeakPolarHBondContact CB-OE2 3.33Å; T369-E372 PolarHBondContact N-OE2 2.66Å; T369-E372 PolarHBondContact O-N 3.46Å; T369-E372 WeakPolarHBondContact OG1-CB 3.46Å; T369-E372 WeakPolarHBondContact OG1-CG 3.41Å; T369-E372 PolarHBondContact OG1-N 3.02Å; T369-E372 PolarHBondContact OG1-OE2 2.84Å; T369-L373 PolarHBondContact O-N 3.04Å; T369-L373 VanDerWaalsContact O-N 3.08Å
370E69.5Low70.8Confident63 Ų6388.5 Ų88.529%0.29446%0.455SS..Hα-helixtrans-62.7-30.3-179.5-176.8166.1177.600112.3V354 R358 R374V354-E370 HydrophobicContact CG1-CG 4.03Å; R358-E370 IonicContact NH1-OE2 3.08Å; R358-E370 PolarHBondContact NH1-OE2 3.34Å; E370-R374 WeakPolarHBondContact O-CB 3.12Å; E370-R374 WeakPolarHBondContact O-CG 3.5Å; E370-R374 PolarHBondContact O-N 3.48Å; E370-R374 IonicContact OE1-CZ 2.82Å; E370-R374 IonicContact OE1-NE 3.82Å; E370-R374 IonicContact OE1-NH2 3.67Å; E370-R374 PolarHBondContact OE1-NH2 3.45Å
371E71.2Confident69.1Low129 Ų12990 Ų9060%0.60346%0.46SS*.Hα-helixtrans-71.7-39.3177-62.7178.3-170.300112.1T369 R374 R375T369-E371 PolarHBondContact O-N 3.27Å; E371-R374 PolarHBondContact O-N 2.76Å; E371-R375 WeakPolarHBondContact O-CB 3.21Å; E371-R375 WeakPolarHBondContact O-CG 3.42Å; E371-R375 PolarHBondContact O-N 3.48Å
372E75.3Confident67.3Low81 Ų8197.6 Ų97.638%0.37949%0.494SS..Hα-helixtrans-66.5-43.7175.2-72.2159.216400111.3M368 T369 R375 T376M368-E372 HydrophobicContact CE-CB 3.64Å; M368-E372 HydrophobicContact CE-CG 4.22Å; M368-E372 WeakPolarHBondContact CE-OE2 3.47Å; T369-E372 WeakPolarHBondContact CB-OE2 3.33Å; T369-E372 PolarHBondContact N-OE2 2.66Å; T369-E372 PolarHBondContact O-N 3.46Å; T369-E372 WeakPolarHBondContact OG1-CB 3.46Å; T369-E372 WeakPolarHBondContact OG1-CG 3.41Å; T369-E372 PolarHBondContact OG1-N 3.02Å; T369-E372 PolarHBondContact OG1-OE2 2.84Å; E372-R375 PolarHBondContact O-N 3Å; E372-T376 WeakPolarHBondContact O-CG2 3.49Å; E372-T376 PolarHBondContact O-N 3.07Å
373L72.9Confident65.2Low8 Ų894.3 Ų94.34%0.04250%0.503CS..Hα-helixtrans-60.2-46.9173.9-78.9164.9000111.2V354 Q357 R358 M368 T369 R375 T376 F377V354-L373 HydrophobicContact CG1-CB 4.03Å; Q357-L373 HydrophobicContact CB-CD2 3.97Å; Q357-L373 HydrophobicContact CG-CD2 3.43Å; Q357-L373 VanDerWaalsContact CG-CD2 3.43Å; R358-L373 HydrophobicContact CB-CD1 3.85Å; R358-L373 HydrophobicContact CG-CD1 4.41Å; M368-L373 HydrophobicContact CB-CD1 4.17Å; M368-L373 HydrophobicContact CB-CG 4.02Å; T369-L373 PolarHBondContact O-N 3.04Å; T369-L373 VanDerWaalsContact O-N 3.08Å; L373-R375 VanDerWaalsContact C-N 3.33Å; L373-R375 PolarHBondContact O-N 2.87Å; L373-T376 PolarHBondContact O-N 3.39Å; L373-T376 PolarHBondContact O-OG1 3.44Å; L373-F377 WeakPolarHBondContact O-CD2 3.46Å; L373-F377 PolarHBondContact O-N 3.31Å
374R71.6Confident62.8Low106 Ų10692.5 Ų92.540%0.451%0.505SS..Hα-helixtrans-60.6-40.6176.4-74.9170.1-177.6-176.61112.6V354 E370 E371 T376 F377 L378V354-R374 HydrophobicContact CG1-CG 4.22Å; V354-R374 HydrophobicContact CG2-CG 3.82Å; E370-R374 WeakPolarHBondContact O-CB 3.12Å; E370-R374 WeakPolarHBondContact O-CG 3.5Å; E370-R374 PolarHBondContact O-N 3.48Å; E370-R374 IonicContact OE1-CZ 2.82Å; E370-R374 IonicContact OE1-NE 3.82Å; E370-R374 IonicContact OE1-NH2 3.67Å; E370-R374 PolarHBondContact OE1-NH2 3.45Å; E371-R374 PolarHBondContact O-N 2.76Å; R374-T376 VanDerWaalsContact C-N 3.33Å; R374-T376 PolarHBondContact O-N 3.25Å; R374-F377 PolarHBondContact O-N 3.29Å; R374-L378 HydrophobicContact CB-CD1 4.5Å; R374-L378 WeakPolarHBondContact O-CB 3.34Å; R374-L378 WeakPolarHBondContact O-CG 3.34Å; R374-L378 PolarHBondContact O-N 2.87Å; R374-L378 VanDerWaalsContact O-N 3.09Å
375R73.1Confident60.8Low179 Ų17992.4 Ų92.468%0.67551%0.512SS*.Hα-helixtrans-64.4-34.9176-77.5178.1179.7157.74.3112.7E371 E372 L373 F377 L378E371-R375 WeakPolarHBondContact O-CB 3.21Å; E371-R375 WeakPolarHBondContact O-CG 3.42Å; E371-R375 PolarHBondContact O-N 3.48Å; E372-R375 PolarHBondContact O-N 3Å; L373-R375 VanDerWaalsContact C-N 3.33Å; L373-R375 PolarHBondContact O-N 2.87Å; R375-F377 VanDerWaalsContact C-N 3.27Å; R375-F377 PolarHBondContact O-N 2.95Å; R375-L378 PolarHBondContact O-N 3.16Å
376T71.6Confident58.8Low73 Ų7397.4 Ų97.445%0.44852%0.518SS..Hα-helixtrans-63.5-33.617666.40000112.8E372 L373 R374E372-T376 WeakPolarHBondContact O-CG2 3.49Å; E372-T376 PolarHBondContact O-N 3.07Å; L373-T376 PolarHBondContact O-N 3.39Å; L373-T376 PolarHBondContact O-OG1 3.44Å; R374-T376 VanDerWaalsContact C-N 3.33Å; R374-T376 PolarHBondContact O-N 3.25Å
377F69.6Low56.8Low40 Ų40102.2 Ų102.218%0.17554%0.535CS..Hα-helixtrans-88.5-18.5179.6-70.7-70000114.9Y346 L350 K353 V354 Q357 L373 R374 R375Y346-F377 PolarHBondContact OH-O 3.35Å; L350-F377 HydrophobicContact CD1-CB 3.3Å; L350-F377 HydrophobicContact CD1-CD1 4.44Å; L350-F377 HydrophobicContact CD1-CD2 4.09Å; L350-F377 HydrophobicContact CD1-CG 3.73Å; K353-F377 HydrophobicContact CB-CZ 4.4Å; V354-F377 HydrophobicContact CG2-CD2 3.74Å; V354-F377 HydrophobicContact CG2-CE2 4.02Å; Q357-F377 HydrophobicContact CB-CE2 4.36Å; Q357-F377 HydrophobicContact CB-CZ 4.34Å; Q357-F377 HydrophobicContact CG-CZ 4.43Å; L373-F377 WeakPolarHBondContact O-CD2 3.46Å; L373-F377 PolarHBondContact O-N 3.31Å; R374-F377 PolarHBondContact O-N 3.29Å; R375-F377 VanDerWaalsContact C-N 3.27Å; R375-F377 PolarHBondContact O-N 2.95Å
378L61.1Low54.8Low63 Ų63103.8 Ų103.833%0.3354%0.538SS..  trans-104.913.7-172.5-73.9173.3000114.5L333 L347 L350 R374 R375 L380L333-L378 HydrophobicContact CD1-CD2 4.11Å; L333-L378 HydrophobicContact CD2-CD2 3.97Å; L347-L378 HydrophobicContact CD2-CD2 3.62Å; L350-L378 HydrophobicContact CD2-CD1 3.99Å; L350-L378 HydrophobicContact CD2-CD2 3.61Å; L350-L378 HydrophobicContact CD2-CG 3.75Å; R374-L378 HydrophobicContact CB-CD1 4.5Å; R374-L378 WeakPolarHBondContact O-CB 3.34Å; R374-L378 WeakPolarHBondContact O-CG 3.34Å; R374-L378 PolarHBondContact O-N 2.87Å; R374-L378 VanDerWaalsContact O-N 3.09Å; R375-L378 PolarHBondContact O-N 3.16Å; L378-L380 PolarHBondContact O-N 3.14Å
379Q62.9Low52.7Low99 Ų99103.9 Ų103.946%0.46356%0.558SS.*  trans-52.7115.6-177.8-63.6-175.718.700111K334K334-Q379 HydrophobicContact CB-CB 4.24Å; K334-Q379 WeakPolarHBondContact CB-O 3.5Å; K334-Q379 HydrophobicContact CD-CB 4Å; K334-Q379 HydrophobicContact CG-CB 4.37Å; K334-Q379 WeakPolarHBondContact CG-O 3.41Å; K334-Q379 PolarHBondContact N-O 3.06Å
380L51.9Low50.4Low93 Ų93105.8 Ų105.849%0.48758%0.581SS.*BIsolated β-bridgetrans-78137.2-178.4-137.564.3000109.8P331 L333 K334 L378 E382P331-L380 HydrophobicContact CB-CD1 3.54Å; P331-L380 HydrophobicContact CB-CD2 3.98Å; P331-L380 HydrophobicContact CB-CG 3.95Å; P331-L380 HydrophobicContact CG-CD1 3.93Å; L333-L380 HydrophobicContact CD2-CD1 3.96Å; K334-L380 WeakPolarHBondContact CE-O 3.2Å; L378-L380 PolarHBondContact O-N 3.14Å; L380-E382 PolarHBondContact O-N 3.18Å; L380-E382 VanDerWaalsContact O-N 3.1Å
381E42Very low48.1Very low118 Ų118106.2 Ų106.255%0.55160%0.602SS**  trans-75.697.5175.3-165.9171.1-167.100110.1K332 K334 A383K332-E381 HydrophobicContact CB-CB 4.21Å; K332-E381 PolarHBondContact O-N 3.41Å; K334-E381 HydrophobicContact CG-CB 4.09Å; E381-A383 PolarHBondContact O-N 3.21Å
382E40.8Very low46.5Very low175 Ų175105.9 Ų105.982%0.81861%0.611SS**  trans-73111.5169.3-72.9-176160.500109.8L380 G384L380-E382 PolarHBondContact O-N 3.18Å; L380-E382 VanDerWaalsContact O-N 3.1Å; E382-G384 PolarHBondContact O-N 2.94Å
383A31.8Very low44.3Very low100 Ų100107.5 Ų107.583%0.82663%0.626SS**  trans-69.7107.8162.100000108.5E381E381-A383 PolarHBondContact O-N 3.21Å
384G27.3Very low42.2Very low68 Ų68115 Ų11570%0.70166%0.661SS**  trans-73.1178.2-173.400000115.8E382E382-G384 PolarHBondContact O-N 2.94Å
385P35.8Very low40Very low125 Ų125116.1 Ų116.181%0.81268%0.675SS**  -130.3157.8127.634.6-22.8000114
386Q26.8Very low37.8Very low172 Ų172113.9 Ų113.980%0.80468%0.681SS**  trans-38.9144.1-177.8-83.590.3-9.200117.9
387Q29.9Very low35.9Very low176 Ų176116.6 Ų116.682%0.82270%0.698SS**  -177.7129.398.4-94.9179.224.200114.8
388L24.3Very low34.2Very low168 Ų168120.4 Ų120.488%0.8873%0.726SS**  trans25.7131.2146.7-78.291.2000122.4
389G23.5Very low32.6Very low77 Ų77121.7 Ų121.779%0.79475%0.746SS**  trans151.199.3132.600000118.3
390A25.3Very low31Very low109 Ų109125.9 Ų125.990%0.90177%0.765SS**  trans72.4120.2149.400000121.1
391G21.4Very low29.9Very low72 Ų72129.7 Ų129.774%0.74279%0.785SS**  trans-90-154.2160.500000112.3
392P38.5Very low29.6Very low121 Ų121132.6 Ų132.679%0.78680%0.804SS**  cis-137.8-171.5-13.629.6-5000114.6
393V27.8Very low28.9Very low115 Ų115127.8 Ų127.870%0.69780%0.801SS**  trans90.5112.3152.9-154.60000119.4
394H29.3Very low28.7Very low167 Ų167126.9 Ų126.977%0.77380%0.802SS**  -179.7151.288.6-123.6-29000113.2
395D25.3Very low28.8Very low129 Ų129131 Ų13169%0.6981%0.808SS**  trans-51.7155.9175.3-53.1-78.1000115.6
396V26.8Very low28.7Very low131 Ų131129.4 Ų129.479%0.79480%0.799SS**  -176.4112.21151700000108.5P398V396-P398 HydrophobicContact CG1-CG 4.47Å
397T32.4Very low28.9Very low131 Ų131128.5 Ų128.580%0.80480%0.8SS**  trans-72.9145.4152.5360000109.9
398P32.3Very low28.8Very low120 Ų120126.9 Ų126.978%0.77980%0.797SS**  -140.7125.4119.115.66.4000113.8V396V396-P398 HydrophobicContact CG1-CG 4.47Å
399A28.5Very low29.1Very low89 Ų89123.1 Ų123.174%0.73678%0.784SS**  trans-76.4168.2144.800000109.5
400E29Very low29.5Very low188 Ų188127 Ų12788%0.87979%0.787SS**  trans94.399.6170.5-57.9-172.2157.600117.4
401L29.8Very low29.8Very low173 Ų173126.6 Ų126.691%0.90678%0.784SS**  -154.699.6115.3-128.4141.3000110.6
402L34.3Very low30.2Very low179 Ų179132.3 Ų132.394%0.93779%0.791SS**  trans-103.5145.7160-82.5169.1000108.5
403G27.5Very low29.9Very low73 Ų73135.1 Ų135.175%0.75380%0.799SS**  trans135.497.9171.600000109
404G27.7Very low30.1Very low82 Ų82137.5 Ų137.585%0.84581%0.808SS**  106.6148.176.800000106.5
405D28.6Very low30Very low155 Ų155132.6 Ų132.683%0.82980%0.802SS**  cis-157.8168.2-3.8-160.1-0.9000105.1
406S34.1Very low30.2Very low90 Ų90134.5 Ų134.563%0.62981%0.811SS**  trans-7137.2164.259.10000120.3
407D30.2Very low30.5Very low153 Ų153134 Ų13482%0.81881%0.811SS**  163.2154.885.3-146.31.7000112.4
408D27.9Very low30.5Very low142 Ų142132.2 Ų132.276%0.75981%0.809SS**  trans79.5158.5151.1-14116000122.5
409S31.5Very low30.5Very low89 Ų89136 Ų13662%0.62282%0.816SS**  trans-121.4175.4-134.348.90000113.8
410D30.2Very low30.5Very low158 Ų158141.3 Ų141.385%0.84582%0.824SS**  trans56.3120.3161.7-80.2-10.3000120.9
411A32.4Very low30.7Very low101 Ų101144.4 Ų144.484%0.83583%0.827SS**  trans-156.9106.4138.800000110.9
412E30.5Very low30.7Very low193 Ų193138.9 Ų138.990%0.90281%0.812SS**  trans-54.6148158.6-67.1-173.3124.800111.5
413L32.6Very low31.2Very low180 Ų180135.9 Ų135.994%0.94280%0.803SS**  trans-110.5106.8172.4-167.380.8000108.5
414D31.4Very low31.5Very low165 Ų165139.9 Ų139.988%0.88281%0.807SS**  trans-116.3146.9169.7-159.511.4000110.5
415G27.7Very low31.9Very low64 Ų64141.7 Ų141.766%0.6681%0.807SS**  trans139.180.1167.600000116.2
416L28.3Very low32.2Very low168 Ų168139.5 Ų139.588%0.8881%0.811SS**  trans-120.8145.6144-76.1179.5000109.9
417P33.1Very low32.2Very low122 Ų122138 Ų13879%0.79280%0.8SS**  trans-86.6145.5-164.425.1-14.5000112.8
418A32.3Very low32.9Very low93 Ų93136 Ų13677%0.76980%0.795SS**  trans-75.8129.8170.300000111.1
419E33.6Very low33.7Very low198 Ų198135.2 Ų135.293%0.92579%0.787SS**  trans-174.5101.2144.6-107177.7-160.100109.9
420F27.9Very low34.4Very low202 Ų202134.8 Ų134.889%0.88679%0.789SS**  -176.2115.5128.6-160.4-107.9000109.4
421R33.8Very low35.2Very low252 Ų252134.8 Ų134.895%0.95178%0.784SS**  trans-109.4124.4172.7-176.2172.9-170.3159.64.3108.9
422G28.3Very low36.1Very low57 Ų57138.2 Ų138.259%0.58878%0.775SS**  trans-170.9144.216600000110.2
423P44.6Very low37.3Very low116 Ų116135.8 Ų135.875%0.75377%0.769SS**  trans-106.6167.4-139.638.4-30.6000115.5
424D35.6Very low38.7Very low157 Ų157134.4 Ų134.484%0.8476%0.762SS**  trans79.586159.9-57.3-19.2000119.2
425S34.9Very low40.5Very low121 Ų121129.7 Ų129.785%0.84674%0.737SS**  trans-143.8111.7134.247.90000109.1S427S425-S427 PolarHBondContact O-N 2.9Å
426A35.5Very low43.2Very low109 Ų109130.7 Ų130.790%0.90173%0.73SS**  trans-59.7119.6-176.100000111.3
427S34.6Very low45.6Very low57 Ų57131.4 Ų131.440%0.39972%0.722SS.*  trans-71.6141.5172.3-179.60000110.7S425 E429S425-S427 PolarHBondContact O-N 2.9Å; S427-E429 WeakPolarHBondContact CB-OE2 3.32Å; S427-E429 PolarHBondContact O-N 3.33Å; S427-E429 WeakPolarHBondContact OG-CB 3.33Å; S427-E429 WeakPolarHBondContact OG-CG 3.24Å; S427-E429 PolarHBondContact OG-N 3.09Å; S427-E429 PolarHBondContact OG-OE2 3.09Å
428P44.4Very low48Very low111 Ų111131.6 Ų131.672%0.72171%0.713SS**THydrogen-bonded Turntrans-75.727.3172.236.5-36.2000111.9
429E45Very low50.6Low126 Ų126131.7 Ų131.759%0.58970%0.697SS**THydrogen-bonded Turntrans-88.9-22.8178.4-75.7165.6153.900111.9S427 Q431 R432S427-E429 WeakPolarHBondContact CB-OE2 3.32Å; S427-E429 PolarHBondContact O-N 3.33Å; S427-E429 WeakPolarHBondContact OG-CB 3.33Å; S427-E429 WeakPolarHBondContact OG-CG 3.24Å; S427-E429 PolarHBondContact OG-N 3.09Å; S427-E429 PolarHBondContact OG-OE2 3.09Å; E429-Q431 PolarHBondContact O-N 3.4Å; E429-Q431 VanDerWaalsContact O-N 3.11Å; E429-R432 PolarHBondContact O-N 3.42Å
430A44.8Very low53.2Low81 Ų81126.3 Ų126.367%0.66967%0.674SS**THydrogen-bonded Turntrans-72.6-3.2-176.500000115.1
431Q48.8Very low56Low158 Ų158119.5 Ų119.574%0.73865%0.649SS**THydrogen-bonded Turntrans-105.51.7175.3-97.5143.5-26.900113.9E429E429-Q431 PolarHBondContact O-N 3.4Å; E429-Q431 VanDerWaalsContact O-N 3.11Å
432R51.3Low58.6Low172 Ų172113.2 Ų113.265%0.64963%0.629SS**SBendtrans-84.5-19.8173.7-74.2-177.4174.1171.60.6113.2E429E429-R432 PolarHBondContact O-N 3.42Å
433D55Low61.5Low143 Ų143114 Ų11477%0.76562%0.619SS**THydrogen-bonded Turntrans-87.5-10.3-170.6-68.3-16.2000114.4
434D62Low63.4Low151 Ų151117 Ų11781%0.80762%0.615SS**THydrogen-bonded Turntrans-102.32.5177-77.6-18.2000113.8
435L69.5Low66Low66 Ų66113.4 Ų113.435%0.34660%0.599SS.*  trans-82.3126.3-179.8-69.1163.6000110.3E439L435-E439 HydrophobicContact CB-CB 4.39Å; L435-E439 HydrophobicContact CD2-CB 4.1Å
436T83.1Confident68.5Low84 Ų84113.8 Ų113.852%0.51559%0.587SS.*  trans-61.5148.1174.6-46.30000109E438 E439 L440T436-E438 HydrophobicContact CG2-CB 4.42Å; T436-E438 PolarHBondContact O-N 2.99Å; T436-E439 PolarHBondContact N-OE2 3.49Å; T436-E439 WeakPolarHBondContact O-CA 3.5Å; T436-E439 WeakPolarHBondContact O-CB 3.41Å; T436-E439 PolarHBondContact O-N 3.49Å; T436-E439 PolarHBondContact OG1-OE2 3.35Å; T436-L440 PolarHBondContact O-N 3.03Å
437Y78.7Confident70.8Confident184 Ų184113 Ų11372%0.72257%0.565SS**Hα-helixtrans-48.7-39.6178.3177.2-99.4000112.7E439 L440 V441Y437-E439 VanDerWaalsContact C-N 3.34Å; Y437-E439 PolarHBondContact O-N 2.94Å; Y437-L440 PolarHBondContact O-N 2.93Å; Y437-V441 HydrophobicContact CD1-CG2 4.13Å; Y437-V441 HydrophobicContact CD2-CG2 4.43Å; Y437-V441 HydrophobicContact CE1-CG2 3.74Å; Y437-V441 HydrophobicContact CE2-CG2 4.07Å; Y437-V441 HydrophobicContact CG-CG2 4.46Å; Y437-V441 WeakPolarHBondContact O-CB 3.25Å; Y437-V441 VanDerWaalsContact O-CG2 3.25Å; Y437-V441 WeakPolarHBondContact O-CG2 3.46Å; Y437-V441 PolarHBondContact O-N 2.91Å
438E84.8Confident73.2Confident126 Ų126116 Ų11659%0.58958%0.576SS**Hα-helixtrans-55.7-42172.2-73.5-91.2152.300113.6T436 K442T436-E438 HydrophobicContact CG2-CB 4.42Å; T436-E438 PolarHBondContact O-N 2.99Å; E438-K442 VanDerWaalsContact O-CG 3.27Å; E438-K442 WeakPolarHBondContact O-CG 3.25Å; E438-K442 PolarHBondContact O-N 2.99Å
439E85.6Confident75.1Confident94 Ų94113.7 Ų113.744%0.43956%0.56SS.*Hα-helixtrans-76.2-36.1-179.2-64.6172.3147.100111.3L435 T436 Y437 K442 L443L435-E439 HydrophobicContact CB-CB 4.39Å; L435-E439 HydrophobicContact CD2-CB 4.1Å; T436-E439 PolarHBondContact N-OE2 3.49Å; T436-E439 WeakPolarHBondContact O-CA 3.5Å; T436-E439 WeakPolarHBondContact O-CB 3.41Å; T436-E439 PolarHBondContact O-N 3.49Å; T436-E439 PolarHBondContact OG1-OE2 3.35Å; Y437-E439 VanDerWaalsContact C-N 3.34Å; Y437-E439 PolarHBondContact O-N 2.94Å; E439-K442 PolarHBondContact O-N 3.36Å; E439-L443 WeakPolarHBondContact O-CB 3.06Å; E439-L443 PolarHBondContact O-N 3.36Å
440L88.1Confident76.9Confident85 Ų85112.1 Ų112.145%0.44556%0.558SS.*Hα-helixtrans-67.3-40.7174.5-171.166.2000111.7T436 Y437 L443 R444T436-L440 PolarHBondContact O-N 3.03Å; Y437-L440 PolarHBondContact O-N 2.93Å; L440-L443 PolarHBondContact O-N 3.22Å; L440-R444 WeakPolarHBondContact O-CB 3.4Å; L440-R444 PolarHBondContact O-N 3.28Å
441V87.6Confident78.4Confident59 Ų59115.1 Ų115.136%0.35856%0.558SS.*Hα-helixtrans-64.3-44.8175170.50000110.5Y437 L443 R444 V445Y437-V441 HydrophobicContact CD1-CG2 4.13Å; Y437-V441 HydrophobicContact CD2-CG2 4.43Å; Y437-V441 HydrophobicContact CE1-CG2 3.74Å; Y437-V441 HydrophobicContact CE2-CG2 4.07Å; Y437-V441 HydrophobicContact CG-CG2 4.46Å; Y437-V441 WeakPolarHBondContact O-CB 3.25Å; Y437-V441 VanDerWaalsContact O-CG2 3.25Å; Y437-V441 WeakPolarHBondContact O-CG2 3.46Å; Y437-V441 PolarHBondContact O-N 2.91Å; V441-L443 PolarHBondContact O-N 3.48Å; V441-R444 PolarHBondContact O-N 2.86Å; V441-V445 HydrophobicContact CG1-CG2 4.25Å; V441-V445 WeakPolarHBondContact O-CB 3.24Å; V441-V445 VanDerWaalsContact O-CG2 3.27Å; V441-V445 WeakPolarHBondContact O-CG2 3.46Å; V441-V445 PolarHBondContact O-N 3.42Å
442K89.4Confident79.6Confident121 Ų121110 Ų11053%0.52654%0.54SS..Hα-helixtrans-58.7-47.5175.4-76.6171.9-173.3172.90111.7E438 E439 R444 V445 E446E438-K442 VanDerWaalsContact O-CG 3.27Å; E438-K442 WeakPolarHBondContact O-CG 3.25Å; E438-K442 PolarHBondContact O-N 2.99Å; E439-K442 PolarHBondContact O-N 3.36Å; K442-R444 VanDerWaalsContact C-N 3.3Å; K442-R444 PolarHBondContact O-N 3.35Å; K442-V445 PolarHBondContact O-N 2.99Å; K442-E446 WeakPolarHBondContact O-CB 3.44Å; K442-E446 WeakPolarHBondContact O-CG 3.42Å; K442-E446 PolarHBondContact O-N 3.11Å
443L88.7Confident80.3Confident73 Ų73107.1 Ų107.138%0.38253%0.534SS..Hα-helixtrans-63.4-36.6179.2-168.1142.9000112E439 L440 V441 Q447E439-L443 WeakPolarHBondContact O-CB 3.06Å; E439-L443 PolarHBondContact O-N 3.36Å; L440-L443 PolarHBondContact O-N 3.22Å; V441-L443 PolarHBondContact O-N 3.48Å; L443-Q447 HydrophobicContact CD2-CG 4.44Å; L443-Q447 WeakPolarHBondContact O-CB 3.32Å; L443-Q447 VanDerWaalsContact O-CG 3.28Å; L443-Q447 WeakPolarHBondContact O-CG 3.47Å; L443-Q447 PolarHBondContact O-N 2.95Å
444R83.2Confident80.7Confident179 Ų179102.1 Ų102.168%0.67552%0.516SS*.Hα-helixtrans-72.9-37.7176.8-163.867.6176.5-163.8-0.2112.7L440 V441 K442 Q447 L448L440-R444 WeakPolarHBondContact O-CB 3.4Å; L440-R444 PolarHBondContact O-N 3.28Å; V441-R444 PolarHBondContact O-N 2.86Å; K442-R444 VanDerWaalsContact C-N 3.3Å; K442-R444 PolarHBondContact O-N 3.35Å; R444-Q447 PolarHBondContact O-N 3.5Å; R444-L448 WeakPolarHBondContact O-CB 3.44Å; R444-L448 PolarHBondContact O-N 3.27Å
445V90.9Very high80.6Confident82 Ų82104.8 Ų104.850%0.49752%0.516SS..Hα-helixtrans-66.8-43174170.50000110.3V441 K442 L448 V449V441-V445 HydrophobicContact CG1-CG2 4.25Å; V441-V445 WeakPolarHBondContact O-CB 3.24Å; V441-V445 VanDerWaalsContact O-CG2 3.27Å; V441-V445 WeakPolarHBondContact O-CG2 3.46Å; V441-V445 PolarHBondContact O-N 3.42Å; K442-V445 PolarHBondContact O-N 2.99Å; V445-L448 PolarHBondContact O-N 2.98Å; V445-V449 HydrophobicContact CG1-CG2 4.36Å; V445-V449 WeakPolarHBondContact O-CB 3.39Å; V445-V449 VanDerWaalsContact O-CG2 3.29Å; V445-V449 WeakPolarHBondContact O-CG2 3.23Å; V445-V449 PolarHBondContact O-N 3.43Å
446E87.9Confident79.9Confident129 Ų129106.4 Ų106.460%0.60353%0.529SS*.Hα-helixtrans-62.1-43.8174.7-75.8176.2-176.500111.5K442 L448 V449 V450K442-E446 WeakPolarHBondContact O-CB 3.44Å; K442-E446 WeakPolarHBondContact O-CG 3.42Å; K442-E446 PolarHBondContact O-N 3.11Å; E446-L448 VanDerWaalsContact C-N 3.32Å; E446-L448 PolarHBondContact O-N 3.26Å; E446-V449 PolarHBondContact O-N 3.32Å; E446-V450 WeakPolarHBondContact O-CB 3.28Å; E446-V450 VanDerWaalsContact O-CG2 3.26Å; E446-V450 WeakPolarHBondContact O-CG2 3.32Å; E446-V450 PolarHBondContact O-N 3.5Å
447Q84Confident78.8Confident92 Ų92109.3 Ų109.343%0.4354%0.537SS..Hα-helixtrans-61-39.5172.6-79.3177-9.200112.6L443 R444 H451L443-Q447 HydrophobicContact CD2-CG 4.44Å; L443-Q447 WeakPolarHBondContact O-CB 3.32Å; L443-Q447 VanDerWaalsContact O-CG 3.28Å; L443-Q447 WeakPolarHBondContact O-CG 3.47Å; L443-Q447 PolarHBondContact O-N 2.95Å; R444-Q447 PolarHBondContact O-N 3.5Å; Q447-H451 WeakPolarHBondContact O-CB 3.44Å; Q447-H451 PolarHBondContact O-N 3.46Å
448L84.6Confident77.9Confident121 Ų121104.1 Ų104.163%0.63452%0.519SS*.Hα-helixtrans-69-39.3177-175.4131.8000111.8R444 V445 E446 H451 S452R444-L448 WeakPolarHBondContact O-CB 3.44Å; R444-L448 PolarHBondContact O-N 3.27Å; V445-L448 PolarHBondContact O-N 2.98Å; E446-L448 VanDerWaalsContact C-N 3.32Å; E446-L448 PolarHBondContact O-N 3.26Å; L448-H451 PolarHBondContact O-N 2.92Å; L448-S452 WeakPolarHBondContact O-CB 3.43Å; L448-S452 PolarHBondContact O-N 2.91Å; L448-S452 PolarHBondContact O-OG 2.91Å
449V83.8Confident77.6Confident62 Ų62101.3 Ų101.338%0.37651%0.513SS..Hα-helixtrans-63.4-47.4174.3169.60000110V445 E446 H451 S452 Q453V445-V449 HydrophobicContact CG1-CG2 4.36Å; V445-V449 WeakPolarHBondContact O-CB 3.39Å; V445-V449 VanDerWaalsContact O-CG2 3.29Å; V445-V449 WeakPolarHBondContact O-CG2 3.23Å; V445-V449 PolarHBondContact O-N 3.43Å; E446-V449 PolarHBondContact O-N 3.32Å; V449-H451 PolarHBondContact O-N 2.93Å; V449-S452 WeakPolarHBondContact CA-OG 3.39Å; V449-S452 PolarHBondContact O-N 3.45Å; V449-S452 PolarHBondContact O-OG 3.24Å; V449-Q453 VanDerWaalsContact O-CG 3.3Å; V449-Q453 WeakPolarHBondContact O-CG 3.26Å; V449-Q453 PolarHBondContact O-N 3.24Å
450V82.8Confident77.1Confident93 Ų9399.9 Ų99.956%0.56452%0.518SS*.Hα-helixtrans-64.2-41178172.20000111.8E446 Q453E446-V450 WeakPolarHBondContact O-CB 3.28Å; E446-V450 VanDerWaalsContact O-CG2 3.26Å; E446-V450 WeakPolarHBondContact O-CG2 3.32Å; E446-V450 PolarHBondContact O-N 3.5Å; V450-Q453 PolarHBondContact O-N 3.25Å
451H76.5Confident76.8Confident144 Ų144101 Ų10167%0.66752%0.523SS*.Hα-helixtrans-64.9-41.6171.9-93.9-168000112.1Q447 L448 V449 Q453 G454 Y455Q447-H451 WeakPolarHBondContact O-CB 3.44Å; Q447-H451 PolarHBondContact O-N 3.46Å; L448-H451 PolarHBondContact O-N 2.92Å; V449-H451 PolarHBondContact O-N 2.93Å; H451-Q453 VanDerWaalsContact C-N 3.26Å; H451-Q453 PolarHBondContact O-N 2.83Å; H451-G454 PolarHBondContact O-N 2.99Å; H451-Y455 WeakPolarHBondContact O-CD2 3.27Å
452S73.3Confident76.6Confident51 Ų51100.1 Ų100.136%0.35752%0.52SS..Hα-helixtrans-65.9-29.2178.674.90000112.6L448 V449 G454 Y455 T456L448-S452 WeakPolarHBondContact O-CB 3.43Å; L448-S452 PolarHBondContact O-N 2.91Å; L448-S452 PolarHBondContact O-OG 2.91Å; V449-S452 WeakPolarHBondContact CA-OG 3.39Å; V449-S452 PolarHBondContact O-N 3.45Å; V449-S452 PolarHBondContact O-OG 3.24Å; S452-G454 PolarHBondContact O-N 2.9Å; S452-Y455 WeakPolarHBondContact O-CA 3.44Å; S452-Y455 PolarHBondContact O-N 3.41Å; S452-T456 PolarHBondContact O-N 2.83Å; S452-T456 PolarHBondContact O-OG1 3.07Å
453Q67.7Low76.4Confident111 Ų111100.7 Ų100.752%0.51952%0.519SS..Hα-helixtrans-61.5-30.9177-79.5174.212.700112.8V449 V450 H451 Y455 T456 Q457V449-Q453 VanDerWaalsContact O-CG 3.3Å; V449-Q453 WeakPolarHBondContact O-CG 3.26Å; V449-Q453 PolarHBondContact O-N 3.24Å; V450-Q453 PolarHBondContact O-N 3.25Å; H451-Q453 VanDerWaalsContact C-N 3.26Å; H451-Q453 PolarHBondContact O-N 2.83Å; Q453-Y455 VanDerWaalsContact C-N 3.32Å; Q453-T456 VanDerWaalsContact CA-OG1 3.22Å; Q453-T456 WeakPolarHBondContact CA-OG1 3.28Å; Q453-T456 PolarHBondContact O-N 2.8Å; Q453-T456 PolarHBondContact O-OG1 3.43Å; Q453-T456 VanDerWaalsContact O-OG1 3.05Å; Q453-Q457 PolarHBondContact O-N 3.12Å
454G63.3Low76.6Confident38 Ų38105 Ų10539%0.39253%0.53SS..Hα-helixtrans-66.3-30.117200000113.7H451 S452 Q457H451-G454 PolarHBondContact O-N 2.99Å; S452-G454 PolarHBondContact O-N 2.9Å; G454-Q457 WeakPolarHBondContact O-CG 3.45Å
455Y58.7Low77Confident206 Ų20699.3 Ų99.381%0.80852%0.515SS*.Hα-helixtrans-86.6-22.5176.9-61.7-85.1000113.1H451 S452 Q453H451-Y455 WeakPolarHBondContact O-CD2 3.27Å; S452-Y455 WeakPolarHBondContact O-CA 3.44Å; S452-Y455 PolarHBondContact O-N 3.41Å; Q453-Y455 VanDerWaalsContact C-N 3.32Å
456T56.2Low77Confident100 Ų100101.2 Ų101.261%0.61351%0.513SS*.THydrogen-bonded Turntrans-85.210.816949.90000113.3S452 Q453 E458S452-T456 PolarHBondContact O-N 2.83Å; S452-T456 PolarHBondContact O-OG1 3.07Å; Q453-T456 VanDerWaalsContact CA-OG1 3.22Å; Q453-T456 WeakPolarHBondContact CA-OG1 3.28Å; Q453-T456 PolarHBondContact O-N 2.8Å; Q453-T456 PolarHBondContact O-OG1 3.43Å; Q453-T456 VanDerWaalsContact O-OG1 3.05Å; T456-E458 PolarHBondContact O-N 3.35Å
457Q59.8Low77.3Confident145 Ų14599.2 Ų99.268%0.67851%0.507SS*.SBendtrans-63.2108.8166.6-70.5-171.54300107.6Q453 G454 S459Q453-Q457 PolarHBondContact O-N 3.12Å; G454-Q457 WeakPolarHBondContact O-CG 3.45Å; Q457-S459 PolarHBondContact O-N 3.43Å
458E59.7Low77.8Confident75 Ų75102.1 Ų102.135%0.3551%0.514SS..  trans-50104.9176.9-67.5-176.9166.600108.9T456 S462 R463 R466T456-E458 PolarHBondContact O-N 3.35Å; E458-S462 VanDerWaalsContact CA-OG 3.29Å; E458-S462 WeakPolarHBondContact CA-OG 3.32Å; E458-S462 WeakPolarHBondContact CB-OG 3.48Å; E458-R463 HydrophobicContact CB-CG 4Å; E458-R463 PolarHBondContact O-NE 2.85Å; E458-R463 VanDerWaalsContact O-NE 3.13Å; E458-R463 PolarHBondContact O-NH2 3.06Å; E458-R463 WeakPolarHBondContact OE2-CG 3.14Å; E458-R466 IonicContact OE1-CZ 3.13Å; E458-R466 IonicContact OE1-NH1 2.68Å; E458-R466 PolarHBondContact OE1-NH1 3.22Å; E458-R466 IonicContact OE1-NH2 2.79Å; E458-R466 PolarHBondContact OE1-NH2 2.99Å; E458-R466 IonicContact OE2-NH1 3.65Å
459S77.8Confident78.2Confident67 Ų6799.5 Ų99.547%0.46950%0.498SS..  trans-53.1146.4177700000108.3Q457 L461 S462 R463Q457-S459 PolarHBondContact O-N 3.43Å; S459-L461 CarbonylContact O-C 3.59Å; S459-L461 PolarHBondContact O-N 3.15Å; S459-S462 PolarHBondContact N-OG 2.88Å; S459-S462 PolarHBondContact O-N 3.19Å; S459-S462 PolarHBondContact O-OG 3.46Å; S459-S462 PolarHBondContact OG-N 3.46Å; S459-S462 VanDerWaalsContact OG-N 3.13Å; S459-R463 PolarHBondContact O-N 3.36Å; S459-R463 VanDerWaalsContact O-N 3.16Å
460A75.3Confident78.7Confident64 Ų64101 Ų10153%0.52951%0.505SS..Hα-helixtrans-56.9-16.7177.800000112.9R464A460-R464 WeakPolarHBondContact O-CG 3.28Å; A460-R464 PolarHBondContact O-NE 2.94Å
461L81.4Confident79.3Confident108 Ų108103.7 Ų103.757%0.56551%0.509SS*.Hα-helixtrans-76.1-48.6169-176.363.3000111.9S459 R463 R464 V465S459-L461 CarbonylContact O-C 3.59Å; S459-L461 PolarHBondContact O-N 3.15Å; L461-R463 VanDerWaalsContact C-N 3.31Å; L461-R463 PolarHBondContact O-N 3.35Å; L461-R464 PolarHBondContact O-N 2.77Å; L461-R464 VanDerWaalsContact O-N 3.13Å; L461-V465 HydrophobicContact CD1-CG2 4.29Å; L461-V465 HydrophobicContact CG-CG2 4.32Å; L461-V465 VanDerWaalsContact O-CG2 3.32Å; L461-V465 WeakPolarHBondContact O-CG2 3.11Å; L461-V465 PolarHBondContact O-N 3.15Å
462S84.2Confident80.1Confident42 Ų4299.9 Ų99.929%0.29449%0.492SS..Hα-helixtrans-59.2-38.4178.967.70000113.2E458 S459 V465 R466E458-S462 VanDerWaalsContact CA-OG 3.29Å; E458-S462 WeakPolarHBondContact CA-OG 3.32Å; E458-S462 WeakPolarHBondContact CB-OG 3.48Å; S459-S462 PolarHBondContact N-OG 2.88Å; S459-S462 PolarHBondContact O-N 3.19Å; S459-S462 PolarHBondContact O-OG 3.46Å; S459-S462 PolarHBondContact OG-N 3.46Å; S459-S462 VanDerWaalsContact OG-N 3.13Å; S462-V465 PolarHBondContact O-N 2.78Å; S462-R466 WeakPolarHBondContact O-CB 2.99Å; S462-R466 PolarHBondContact O-N 3.32Å
463R85.8Confident81.1Confident133 Ų133104.8 Ų104.850%0.50250%0.503SS..Hα-helixtrans-63.5-45.9173.3-81.5-179.5-100.1166.8-9.5112E458 S459 L461 V465 R466 D467E458-R463 HydrophobicContact CB-CG 4Å; E458-R463 PolarHBondContact O-NE 2.85Å; E458-R463 VanDerWaalsContact O-NE 3.13Å; E458-R463 PolarHBondContact O-NH2 3.06Å; E458-R463 WeakPolarHBondContact OE2-CG 3.14Å; S459-R463 PolarHBondContact O-N 3.36Å; S459-R463 VanDerWaalsContact O-N 3.16Å; L461-R463 VanDerWaalsContact C-N 3.31Å; L461-R463 PolarHBondContact O-N 3.35Å; R463-V465 VanDerWaalsContact C-N 3.34Å; R463-V465 PolarHBondContact O-N 3.46Å; R463-R466 PolarHBondContact O-N 3.02Å; R463-D467 WeakPolarHBondContact O-CB 3.23Å; R463-D467 PolarHBondContact O-N 2.92Å
464R91.3Very high82.3Confident164 Ų164102.7 Ų102.762%0.61950%0.499SS*.Hα-helixtrans-64.7-37.5176.6-79.3-174.4-74.9164.4-6.6113A460 L461 W468A460-R464 WeakPolarHBondContact O-CG 3.28Å; A460-R464 PolarHBondContact O-NE 2.94Å; L461-R464 PolarHBondContact O-N 2.77Å; L461-R464 VanDerWaalsContact O-N 3.13Å; R464-W468 VanDerWaalsContact O-CB 3.3Å; R464-W468 WeakPolarHBondContact O-CB 3.01Å; R464-W468 PolarHBondContact O-N 2.97Å
465V92.8Very high83.6Confident59 Ų59106 Ų10636%0.35851%0.505SS..Hα-helixtrans-65.5-44.9175.3171.80000109.7L461 S462 R463 W468 E469L461-V465 HydrophobicContact CD1-CG2 4.29Å; L461-V465 HydrophobicContact CG-CG2 4.32Å; L461-V465 VanDerWaalsContact O-CG2 3.32Å; L461-V465 WeakPolarHBondContact O-CG2 3.11Å; L461-V465 PolarHBondContact O-N 3.15Å; S462-V465 PolarHBondContact O-N 2.78Å; R463-V465 VanDerWaalsContact C-N 3.34Å; R463-V465 PolarHBondContact O-N 3.46Å; V465-W468 PolarHBondContact O-N 3.35Å; V465-E469 HydrophobicContact CG1-CG 4.37Å; V465-E469 WeakPolarHBondContact CG1-OE1 3.45Å; V465-E469 WeakPolarHBondContact O-CB 3.36Å; V465-E469 WeakPolarHBondContact O-CG 3.31Å; V465-E469 PolarHBondContact O-N 3.09Å
466R90.7Very high85.1Confident121 Ų121101 Ų10146%0.45749%0.491SS..Hα-helixtrans-62.1-46.6175.1-166.8-179.3-66.6163.64.7112.1E458 S462 R463 W468 E469 D470E458-R466 IonicContact OE1-CZ 3.13Å; E458-R466 IonicContact OE1-NH1 2.68Å; E458-R466 PolarHBondContact OE1-NH1 3.22Å; E458-R466 IonicContact OE1-NH2 2.79Å; E458-R466 PolarHBondContact OE1-NH2 2.99Å; E458-R466 IonicContact OE2-NH1 3.65Å; S462-R466 WeakPolarHBondContact O-CB 2.99Å; S462-R466 PolarHBondContact O-N 3.32Å; R463-R466 PolarHBondContact O-N 3.02Å; R466-W468 PolarHBondContact O-N 3.49Å; R466-E469 PolarHBondContact O-N 2.83Å; R466-E469 VanDerWaalsContact O-N 3.15Å; R466-D470 WeakPolarHBondContact O-CB 3.42Å; R466-D470 VanDerWaalsContact O-CG 3.24Å; R466-D470 PolarHBondContact O-N 3.16Å
467D93.9Very high86.7Confident88 Ų8898.4 Ų98.447%0.47148%0.48SS..Hα-helixtrans-60.1-32.8176.1-67.5-21.3000112.4R463 K471R463-D467 WeakPolarHBondContact O-CB 3.23Å; R463-D467 PolarHBondContact O-N 2.92Å; D467-K471 WeakPolarHBondContact O-CD 3.42Å; D467-K471 WeakPolarHBondContact O-CG 3.45Å; D467-K471 PolarHBondContact O-N 2.97Å
468W93.9Very high87.9Confident153 Ų15396.1 Ų96.158%0.5847%0.472SS*.Hα-helixtrans-75.8-43.7175173.682.3000111.6R464 V465 R466 D470 K471 I472R464-W468 VanDerWaalsContact O-CB 3.3Å; R464-W468 WeakPolarHBondContact O-CB 3.01Å; R464-W468 PolarHBondContact O-N 2.97Å; V465-W468 PolarHBondContact O-N 3.35Å; R466-W468 PolarHBondContact O-N 3.49Å; W468-D470 VanDerWaalsContact C-N 3.31Å; W468-D470 PolarHBondContact O-N 3.31Å; W468-K471 WeakPolarHBondContact O-CB 3.47Å; W468-K471 PolarHBondContact O-N 2.66Å; W468-K471 VanDerWaalsContact O-N 3.12Å; W468-I472 HydrophobicContact CD2-CG1 4.14Å; W468-I472 HydrophobicContact CG-CG1 4.4Å; W468-I472 HydrophobicContact CZ2-CB 4.42Å; W468-I472 HydrophobicContact CZ2-CG1 3.86Å; W468-I472 HydrophobicContact CZ2-CG2 4.41Å; W468-I472 WeakPolarHBondContact O-CG1 3.43Å; W468-I472 PolarHBondContact O-N 3.05Å
469E93.9Very high89Confident65 Ų6598 Ų9830%0.30448%0.481SS..Hα-helixtrans-59.4-43.3174.9-76.9-178-159.500111.2V465 R466 K471 I472 R473V465-E469 HydrophobicContact CG1-CG 4.37Å; V465-E469 WeakPolarHBondContact CG1-OE1 3.45Å; V465-E469 WeakPolarHBondContact O-CB 3.36Å; V465-E469 WeakPolarHBondContact O-CG 3.31Å; V465-E469 PolarHBondContact O-N 3.09Å; R466-E469 PolarHBondContact O-N 2.83Å; R466-E469 VanDerWaalsContact O-N 3.15Å; E469-K471 PolarHBondContact O-N 3.37Å; E469-I472 PolarHBondContact O-N 3.01Å; E469-R473 VanDerWaalsContact O-CB 3.27Å; E469-R473 WeakPolarHBondContact O-CB 3.35Å; E469-R473 VanDerWaalsContact O-CG 3.25Å; E469-R473 WeakPolarHBondContact O-CG 3.48Å; E469-R473 PolarHBondContact O-N 3.44Å; E469-R473 IonicContact OE2-CZ 3.64Å; E469-R473 IonicContact OE2-NE 3.87Å; E469-R473 IonicContact OE2-NH2 2.77Å; E469-R473 PolarHBondContact OE2-NH2 3.17Å
470D94.4Very high89.4Confident94 Ų94102.6 Ų102.650%0.50350%0.495SS..Hα-helixtrans-64.3-28.4177.9-70.5-19.1000112R466 W468 P474R466-D470 WeakPolarHBondContact O-CB 3.42Å; R466-D470 VanDerWaalsContact O-CG 3.24Å; R466-D470 PolarHBondContact O-N 3.16Å; W468-D470 VanDerWaalsContact C-N 3.31Å; W468-D470 PolarHBondContact O-N 3.31Å; D470-P474 WeakPolarHBondContact O-CD 3.32Å
471K94.1Very high89.9Confident149 Ų149106.2 Ų106.265%0.64851%0.505SS*.Hα-helixtrans-80.3-38.7173.9-72.5169.6-171.5173.80113D467 W468 E469 P474D467-K471 WeakPolarHBondContact O-CD 3.42Å; D467-K471 WeakPolarHBondContact O-CG 3.45Å; D467-K471 PolarHBondContact O-N 2.97Å; W468-K471 WeakPolarHBondContact O-CB 3.47Å; W468-K471 PolarHBondContact O-N 2.66Å; W468-K471 VanDerWaalsContact O-N 3.12Å; E469-K471 PolarHBondContact O-N 3.37Å; K471-P474 WeakPolarHBondContact O-CG 3.5Å
472I94.6Very high89.8Confident64 Ų64106.5 Ų106.533%0.32850%0.499SS..Hα-helixtrans-86.7-35.9-173.4-68.9-60.7000112.7W468 E469 E475 L476W468-I472 HydrophobicContact CD2-CG1 4.14Å; W468-I472 HydrophobicContact CG-CG1 4.4Å; W468-I472 HydrophobicContact CZ2-CB 4.42Å; W468-I472 HydrophobicContact CZ2-CG1 3.86Å; W468-I472 HydrophobicContact CZ2-CG2 4.41Å; W468-I472 WeakPolarHBondContact O-CG1 3.43Å; W468-I472 PolarHBondContact O-N 3.05Å; E469-I472 PolarHBondContact O-N 3.01Å; I472-E475 PolarHBondContact O-N 3.12Å; I472-E475 VanDerWaalsContact O-N 3.11Å; I472-L476 WeakPolarHBondContact O-CB 3.21Å; I472-L476 PolarHBondContact O-N 3.06Å
473R93.4Very high89.6Confident154 Ų154108.8 Ų108.858%0.58151%0.513SS*.Hα-helixtrans-50.7-46.9178.3-80.8-179.9-168.3-175.87.8114.2E469 L476 A477E469-R473 VanDerWaalsContact O-CB 3.27Å; E469-R473 WeakPolarHBondContact O-CB 3.35Å; E469-R473 VanDerWaalsContact O-CG 3.25Å; E469-R473 WeakPolarHBondContact O-CG 3.48Å; E469-R473 PolarHBondContact O-N 3.44Å; E469-R473 IonicContact OE2-CZ 3.64Å; E469-R473 IonicContact OE2-NE 3.87Å; E469-R473 IonicContact OE2-NH2 2.77Å; E469-R473 PolarHBondContact OE2-NH2 3.17Å; R473-L476 PolarHBondContact O-N 3.25Å; R473-A477 WeakPolarHBondContact O-CB 3.35Å; R473-A477 PolarHBondContact O-N 3.29Å
474P93.3Very high89.5Confident68 Ų68108.2 Ų108.244%0.44253%0.526SS..Hα-helixtrans-66.2-39.1178.424.9-33.9000112.4D470 K471 L478D470-P474 WeakPolarHBondContact O-CD 3.32Å; K471-P474 WeakPolarHBondContact O-CG 3.5Å; P474-L478 WeakPolarHBondContact O-CB 3.33Å; P474-L478 VanDerWaalsContact O-CG 3.25Å; P474-L478 WeakPolarHBondContact O-CG 3.26Å; P474-L478 PolarHBondContact O-N 2.8Å
475E90.1Very high89.2Confident107 Ų107104.2 Ų104.250%0.551%0.514SS..Hα-helixtrans-66.1-38.2176.6-69.8-65.3157.900112.1I472 L478 Q479I472-E475 PolarHBondContact O-N 3.12Å; I472-E475 VanDerWaalsContact O-N 3.11Å; E475-L478 PolarHBondContact O-N 3.01Å; E475-Q479 WeakPolarHBondContact O-CG 3.46Å; E475-Q479 PolarHBondContact O-N 3.02Å; E475-Q479 VanDerWaalsContact O-N 3.1Å
476L90.3Very high89Confident100 Ų100105.3 Ų105.352%0.52452%0.517SS..Hα-helixtrans-69.2-43.8178.7-153.476.7000111.1I472 R473 L478 Q479 E480I472-L476 WeakPolarHBondContact O-CB 3.21Å; I472-L476 PolarHBondContact O-N 3.06Å; R473-L476 PolarHBondContact O-N 3.25Å; L476-L478 VanDerWaalsContact C-N 3.32Å; L476-L478 PolarHBondContact O-N 2.92Å; L476-Q479 PolarHBondContact O-N 3.36Å; L476-E480 WeakPolarHBondContact O-CB 3.39Å; L476-E480 PolarHBondContact O-N 2.82Å
477A90.1Very high88.8Confident46 Ų46101.8 Ų101.838%0.3851%0.507SS..Hα-helixtrans-60.3-42.7173.900000111.4R473 Q479 E480 D481R473-A477 WeakPolarHBondContact O-CB 3.35Å; R473-A477 PolarHBondContact O-N 3.29Å; A477-Q479 PolarHBondContact O-N 2.96Å; A477-E480 PolarHBondContact O-N 3.1Å; A477-D481 WeakPolarHBondContact O-CB 3.38Å; A477-D481 PolarHBondContact O-N 2.83Å
478L86Confident88.3Confident97 Ų97103.5 Ų103.551%0.50851%0.512SS..Hα-helixtrans-65-19.3174.5-75.3175.7000114.1P474 E475 L476 R482P474-L478 WeakPolarHBondContact O-CB 3.33Å; P474-L478 VanDerWaalsContact O-CG 3.25Å; P474-L478 WeakPolarHBondContact O-CG 3.26Å; P474-L478 PolarHBondContact O-N 2.8Å; E475-L478 PolarHBondContact O-N 3.01Å; L476-L478 VanDerWaalsContact C-N 3.32Å; L476-L478 PolarHBondContact O-N 2.92Å; L478-R482 WeakPolarHBondContact O-CG 3.32Å; L478-R482 PolarHBondContact O-NE 3.38Å
479Q82Confident88Confident115 Ų11598.5 Ų98.554%0.53750%0.503SS..Hα-helixtrans-90.8-36.1173.2-73.4-175.37.200112.2E475 L476 A477 R482E475-Q479 WeakPolarHBondContact O-CG 3.46Å; E475-Q479 PolarHBondContact O-N 3.02Å; E475-Q479 VanDerWaalsContact O-N 3.1Å; L476-Q479 PolarHBondContact O-N 3.36Å; A477-Q479 PolarHBondContact O-N 2.96Å; Q479-R482 VanDerWaalsContact O-CB 3.29Å; Q479-R482 WeakPolarHBondContact O-CB 3.47Å; Q479-R482 PolarHBondContact O-N 3.16Å; Q479-R482 VanDerWaalsContact O-N 3.16Å
480E85.3Confident87.8Confident163 Ų16396.7 Ų96.776%0.76249%0.494SS*.Hα-helixtrans-68.1-35.8177.3-169.9169.9-166.500112L476 A477 R482L476-E480 WeakPolarHBondContact O-CB 3.39Å; L476-E480 PolarHBondContact O-N 2.82Å; A477-E480 PolarHBondContact O-N 3.1Å; E480-R482 PolarHBondContact O-N 3.21Å; E480-R482 VanDerWaalsContact O-N 3.13Å
481D86.3Confident87.4Confident140 Ų14092.6 Ų92.675%0.74947%0.473SS*.THydrogen-bonded Turntrans-65.9-9.9172.2-80.2-13.7000113.2A477A477-D481 WeakPolarHBondContact O-CB 3.38Å; A477-D481 PolarHBondContact O-N 2.83Å
482R79.6Confident86.9Confident114 Ų11492.1 Ų92.143%0.4347%0.474SS..SBendtrans-80.6139.1-176-60.8-176.3-178.1-172.2-3.6111.2L478 Q479 E480L478-R482 WeakPolarHBondContact O-CG 3.32Å; L478-R482 PolarHBondContact O-NE 3.38Å; Q479-R482 VanDerWaalsContact O-CB 3.29Å; Q479-R482 WeakPolarHBondContact O-CB 3.47Å; Q479-R482 PolarHBondContact O-N 3.16Å; Q479-R482 VanDerWaalsContact O-N 3.16Å; E480-R482 PolarHBondContact O-N 3.21Å; E480-R482 VanDerWaalsContact O-N 3.13Å
483P80.4Confident86.5Confident90 Ų9094 Ų9458%0.58448%0.477SS*.PPolyproline II helixtrans-64.4145.2174.226.9-33.4000110.6
484P82.3Confident86.2Confident121 Ų12187.2 Ų87.279%0.78645%0.452SS*.PPolyproline II helixtrans-58.4143.8176.625-33.7000110.6D486P484-D486 PolarHBondContact O-N 3.1Å
485F86Confident85.7Confident81 Ų8187.7 Ų87.736%0.35545%0.453SS..  trans-77.7108.7177.9174-115.2000110.5I487 Y490 K521 L524F485-I487 HydrophobicContact CE1-CB 3.96Å; F485-I487 HydrophobicContact CE1-CD1 4.12Å; F485-I487 HydrophobicContact CE1-CG1 4.09Å; F485-I487 HydrophobicContact CZ-CB 4.01Å; F485-I487 HydrophobicContact CZ-CD1 4.25Å; F485-I487 HydrophobicContact CZ-CG1 3.88Å; F485-Y490 AromaticContact CD2-CD2 3.89Å; F485-Y490 HydrophobicContact CD2-CD2 3.89Å; F485-Y490 AromaticContact CD2-CE2 3.89Å; F485-Y490 HydrophobicContact CD2-CE2 3.89Å; F485-Y490 AromaticContact CE2-CD2 3.83Å; F485-Y490 HydrophobicContact CE2-CD2 3.83Å; F485-Y490 HydrophobicContact CE2-CE2 4.24Å; F485-Y490 HydrophobicContact CE2-CG 4.14Å; F485-K521 HydrophobicContact CD2-CB 4.02Å; F485-K521 HydrophobicContact CD2-CD 3.85Å; F485-K521 HydrophobicContact CD2-CG 3.74Å; F485-K521 HydrophobicContact CE2-CB 3.69Å; F485-K521 HydrophobicContact CE2-CD 4.38Å; F485-K521 HydrophobicContact CE2-CG 3.88Å; F485-L524 HydrophobicContact CE1-CD2 3.78Å; F485-L524 HydrophobicContact CZ-CD2 3.95Å; F485-L524 HydrophobicContact CZ-CG 4.49Å
486D87.4Confident85.5Confident82 Ų8287.5 Ų87.544%0.43946%0.459SS..  trans-102.4104172.3-178.4-5.1000111.1P484 H488 A489 Y490P484-D486 PolarHBondContact O-N 3.1Å; D486-H488 PolarHBondContact O-N 3.44Å; D486-H488 VanDerWaalsContact O-N 3.16Å; D486-H488 IonicContact OD1-CD2 3.99Å; D486-H488 PolarHBondContact OD1-N 3.24Å; D486-A489 HydrophobicContact CB-CB 3.99Å; D486-A489 PolarHBondContact O-N 2.98Å; D486-A489 PolarHBondContact OD1-N 3.47Å; D486-Y490 VanDerWaalsContact O-CD2 3.26Å; D486-Y490 WeakPolarHBondContact O-CD2 3.39Å; D486-Y490 PolarHBondContact O-N 3.25Å; D486-Y490 VanDerWaalsContact O-N 3.14Å
487I86.6Confident85.1Confident47 Ų4785.3 Ų85.324%0.24145%0.447CS..Hα-helixtrans-60.6-28.5-176.5-156.7158.8000113.2F485 G491 A525 Q528F485-I487 HydrophobicContact CE1-CB 3.96Å; F485-I487 HydrophobicContact CE1-CD1 4.12Å; F485-I487 HydrophobicContact CE1-CG1 4.09Å; F485-I487 HydrophobicContact CZ-CB 4.01Å; F485-I487 HydrophobicContact CZ-CD1 4.25Å; F485-I487 HydrophobicContact CZ-CG1 3.88Å; I487-G491 PolarHBondContact O-N 2.9Å; I487-A525 HydrophobicContact CG1-CB 4.24Å; I487-Q528 HydrophobicContact CD1-CB 3.8Å; I487-Q528 HydrophobicContact CD1-CG 3.86Å; I487-Q528 HydrophobicContact CG1-CB 4.24Å; I487-Q528 HydrophobicContact CG1-CG 4.31Å
488H85.3Confident84.6Confident124 Ų12485.9 Ų85.957%0.57444%0.443SS*.Hα-helixtrans-78.2-44.4-178.8-63.7-69.1000111.3D486 Y490 G491 E492D486-H488 PolarHBondContact O-N 3.44Å; D486-H488 VanDerWaalsContact O-N 3.16Å; D486-H488 IonicContact OD1-CD2 3.99Å; D486-H488 PolarHBondContact OD1-N 3.24Å; H488-Y490 VanDerWaalsContact C-N 3.31Å; H488-Y490 PolarHBondContact O-N 2.91Å; H488-G491 CarbonylContact O-C 3.56Å; H488-G491 WeakPolarHBondContact O-CA 3.29Å; H488-G491 PolarHBondContact O-N 3.3Å; H488-E492 PolarHBondContact O-N 3.29Å
489A86.9Confident84.4Confident48 Ų4883.9 Ų83.940%0.39745%0.446SS..Hα-helixtrans-60-40.9174.600000112.1D486 E492 R493D486-A489 HydrophobicContact CB-CB 3.99Å; D486-A489 PolarHBondContact O-N 2.98Å; D486-A489 PolarHBondContact OD1-N 3.47Å; A489-E492 PolarHBondContact O-N 2.78Å; A489-R493 WeakPolarHBondContact O-CB 3.42Å; A489-R493 PolarHBondContact O-N 3.27Å
490Y88.8Confident84Confident27 Ų2781.5 Ų81.511%0.10645%0.446CS..Hα-helixtrans-67.8-35.8173.8-82-91.7000112.2F485 D486 H488 R493 I494 E518 K521 L522F485-Y490 AromaticContact CD2-CD2 3.89Å; F485-Y490 HydrophobicContact CD2-CD2 3.89Å; F485-Y490 AromaticContact CD2-CE2 3.89Å; F485-Y490 HydrophobicContact CD2-CE2 3.89Å; F485-Y490 AromaticContact CE2-CD2 3.83Å; F485-Y490 HydrophobicContact CE2-CD2 3.83Å; F485-Y490 HydrophobicContact CE2-CE2 4.24Å; F485-Y490 HydrophobicContact CE2-CG 4.14Å; D486-Y490 VanDerWaalsContact O-CD2 3.26Å; D486-Y490 WeakPolarHBondContact O-CD2 3.39Å; D486-Y490 PolarHBondContact O-N 3.25Å; D486-Y490 VanDerWaalsContact O-N 3.14Å; H488-Y490 VanDerWaalsContact C-N 3.31Å; H488-Y490 PolarHBondContact O-N 2.91Å; Y490-R493 PolarHBondContact O-N 3.17Å; Y490-I494 WeakPolarHBondContact O-CD1 3.4Å; Y490-I494 VanDerWaalsContact O-CG1 3.28Å; Y490-I494 WeakPolarHBondContact O-CG1 3.45Å; Y490-I494 PolarHBondContact O-N 3.25Å; Y490-I494 VanDerWaalsContact O-N 3.09Å; Y490-E518 WeakPolarHBondContact CE1-OE2 3.42Å; Y490-E518 VanDerWaalsContact CZ-OE2 3.3Å; Y490-E518 PolarHBondContact OH-OE1 2.79Å; Y490-E518 VanDerWaalsContact OH-OE1 3.06Å; Y490-E518 PolarHBondContact OH-OE2 2.97Å; Y490-K521 HydrophobicContact CD1-CB 4.24Å; Y490-K521 HydrophobicContact CE1-CB 3.98Å; Y490-K521 HydrophobicContact CE1-CD 4.24Å; Y490-K521 HydrophobicContact CE2-CD 4.31Å; Y490-K521 WeakPolarHBondContact OH-CD 3.42Å; Y490-L522 HydrophobicContact CD1-CD2 3.72Å; Y490-L522 HydrophobicContact CD1-CG 3.95Å; Y490-L522 HydrophobicContact CE1-CG 4.42Å
491G86.3Confident83.4Confident7 Ų781.2 Ų81.27%0.07246%0.455CS..Hα-helixtrans-60.6-48.5172.100000112.7I487 H488 R493 I494 V495I487-G491 PolarHBondContact O-N 2.9Å; H488-G491 CarbonylContact O-C 3.56Å; H488-G491 WeakPolarHBondContact O-CA 3.29Å; H488-G491 PolarHBondContact O-N 3.3Å; G491-R493 VanDerWaalsContact C-N 3.32Å; G491-R493 PolarHBondContact O-N 3.39Å; G491-I494 WeakPolarHBondContact O-CB 3.33Å; G491-I494 PolarHBondContact O-N 3.28Å; G491-I494 VanDerWaalsContact O-N 3.09Å; G491-V495 WeakPolarHBondContact O-CG2 3.38Å; G491-V495 PolarHBondContact O-N 2.92Å
492E85.1Confident82.5Confident139 Ų13978.2 Ų78.265%0.6546%0.457SS*.Hα-helixtrans-61.6-39.5175.6-72.3-177.2-178.900112.1H488 A489 I494 V495 T496H488-E492 PolarHBondContact O-N 3.29Å; A489-E492 PolarHBondContact O-N 2.78Å; E492-I494 PolarHBondContact O-N 3.49Å; E492-V495 PolarHBondContact O-N 3.46Å; E492-T496 WeakPolarHBondContact O-CB 3.32Å; E492-T496 VanDerWaalsContact O-CG2 3.28Å; E492-T496 WeakPolarHBondContact O-CG2 3.41Å; E492-T496 PolarHBondContact O-N 2.93Å; E492-T496 PolarHBondContact O-OG1 3.46Å
493R85.9Confident82.1Confident104 Ų10476.1 Ų76.139%0.39246%0.459SS..Hα-helixtrans-60.6-34.7174.3-166.8174-179.9-167.6-1.5112.2A489 Y490 G491 T496 Q497A489-R493 WeakPolarHBondContact O-CB 3.42Å; A489-R493 PolarHBondContact O-N 3.27Å; Y490-R493 PolarHBondContact O-N 3.17Å; G491-R493 VanDerWaalsContact C-N 3.32Å; G491-R493 PolarHBondContact O-N 3.39Å; R493-T496 WeakPolarHBondContact CA-OG1 3.44Å; R493-T496 PolarHBondContact O-OG1 2.99Å; R493-Q497 WeakPolarHBondContact O-CB 3.43Å; R493-Q497 VanDerWaalsContact O-CG 3.27Å; R493-Q497 WeakPolarHBondContact O-CG 3.19Å; R493-Q497 PolarHBondContact O-N 3.28Å
494I85.9Confident81.8Confident12 Ų1283.6 Ų83.66%0.06248%0.476CS..Hα-helixtrans-72.2-45.1175-66158.5000110.5Y490 G491 E492 T496 Q497 L498 L522 A525Y490-I494 WeakPolarHBondContact O-CD1 3.4Å; Y490-I494 VanDerWaalsContact O-CG1 3.28Å; Y490-I494 WeakPolarHBondContact O-CG1 3.45Å; Y490-I494 PolarHBondContact O-N 3.25Å; Y490-I494 VanDerWaalsContact O-N 3.09Å; G491-I494 WeakPolarHBondContact O-CB 3.33Å; G491-I494 PolarHBondContact O-N 3.28Å; G491-I494 VanDerWaalsContact O-N 3.09Å; E492-I494 PolarHBondContact O-N 3.49Å; I494-T496 PolarHBondContact O-N 3.25Å; I494-Q497 PolarHBondContact O-N 3.39Å; I494-L498 HydrophobicContact CG2-CD1 3.93Å; I494-L498 HydrophobicContact CG2-CG 4.44Å; I494-L498 WeakPolarHBondContact O-CG 3.36Å; I494-L498 PolarHBondContact O-N 2.85Å; I494-L522 HydrophobicContact CD1-CB 4.49Å; I494-L522 HydrophobicContact CD1-CD2 3.91Å; I494-L522 VanDerWaalsContact CD1-O 3.28Å; I494-L522 WeakPolarHBondContact CD1-O 3.4Å; I494-L522 HydrophobicContact CG1-CD2 3.59Å; I494-A525 HydrophobicContact CD1-CB 3.9Å
495V83.3Confident81.6Confident77 Ų7784.8 Ų84.847%0.46746%0.464SS..Hα-helixtrans-61.5-45.3179174.90000111.2G491 E492 Q497 L498 G499 L529G491-V495 WeakPolarHBondContact O-CG2 3.38Å; G491-V495 PolarHBondContact O-N 2.92Å; E492-V495 PolarHBondContact O-N 3.46Å; V495-Q497 VanDerWaalsContact C-N 3.32Å; V495-Q497 PolarHBondContact O-N 2.99Å; V495-L498 PolarHBondContact O-N 3.33Å; V495-L498 VanDerWaalsContact O-N 3.16Å; V495-G499 PolarHBondContact O-N 3.33Å; V495-L529 HydrophobicContact CG2-CD1 3.6Å
496T85.1Confident81.4Confident103 Ų10384.5 Ų84.563%0.63247%0.472SS*.Hα-helixtrans-62.1-37.6175.7530000112.3E492 R493 I494 G499E492-T496 WeakPolarHBondContact O-CB 3.32Å; E492-T496 VanDerWaalsContact O-CG2 3.28Å; E492-T496 WeakPolarHBondContact O-CG2 3.41Å; E492-T496 PolarHBondContact O-N 2.93Å; E492-T496 PolarHBondContact O-OG1 3.46Å; R493-T496 WeakPolarHBondContact CA-OG1 3.44Å; R493-T496 PolarHBondContact O-OG1 2.99Å; I494-T496 PolarHBondContact O-N 3.25Å; T496-G499 PolarHBondContact O-N 2.76Å
497Q82.4Confident81.1Confident55 Ų5584.4 Ų84.426%0.25747%0.468SS..Hα-helixtrans-71.3-29.2174.3-76.7-166.520.700114R493 I494 V495 G499 R505 I510R493-Q497 WeakPolarHBondContact O-CB 3.43Å; R493-Q497 VanDerWaalsContact O-CG 3.27Å; R493-Q497 WeakPolarHBondContact O-CG 3.19Å; R493-Q497 PolarHBondContact O-N 3.28Å; I494-Q497 PolarHBondContact O-N 3.39Å; V495-Q497 VanDerWaalsContact C-N 3.32Å; V495-Q497 PolarHBondContact O-N 2.99Å; Q497-G499 VanDerWaalsContact C-N 3.31Å; Q497-R505 WeakPolarHBondContact O-CD 3.2Å; Q497-R505 PolarHBondContact O-NE 3.17Å; Q497-R505 VanDerWaalsContact O-NE 3.09Å; Q497-R505 PolarHBondContact O-NH1 3.25Å; Q497-I510 VanDerWaalsContact OE1-CA 3.29Å; Q497-I510 PolarHBondContact OE1-O 2.87Å
498L80.3Confident80.9Confident57 Ų5785.8 Ų85.830%0.29849%0.487SS..Hα-helixtrans-71.6-29.6172.6-71.4167.6000111.5I494 V495 A500 R505 I510I494-L498 HydrophobicContact CG2-CD1 3.93Å; I494-L498 HydrophobicContact CG2-CG 4.44Å; I494-L498 WeakPolarHBondContact O-CG 3.36Å; I494-L498 PolarHBondContact O-N 2.85Å; V495-L498 PolarHBondContact O-N 3.33Å; V495-L498 VanDerWaalsContact O-N 3.16Å; L498-A500 PolarHBondContact O-N 3.16Å; L498-R505 HydrophobicContact CD2-CB 4.04Å; L498-R505 HydrophobicContact CD2-CG 4.35Å; L498-I510 HydrophobicContact CD2-CD1 3.99Å; L498-I510 HydrophobicContact CG-CD1 4.39Å
499G80.9Confident80.7Confident56 Ų5683.3 Ų83.358%0.57748%0.484SS*.  trans84.4-9217100000112.2V495 T496 Q497V495-G499 PolarHBondContact O-N 3.33Å; T496-G499 PolarHBondContact O-N 2.76Å; Q497-G499 VanDerWaalsContact C-N 3.31Å
500A73.8Confident80.4Confident64 Ų6481.7 Ų81.753%0.52947%0.468SS..SBendtrans-111.6154.7-174.700000112.6L498 G502 C503L498-A500 PolarHBondContact O-N 3.16Å; A500-G502 PolarHBondContact O-N 3.4Å; A500-C503 WeakPolarHBondContact O-CB 3.21Å; A500-C503 PolarHBondContact O-N 3.26Å
501V72.6Confident80.2Confident157 Ų15781.4 Ų81.495%0.95247%0.469SS*.THydrogen-bonded Turntrans-61.5128.9177.2-175.60000109.7
502G67.2Low79.9Confident77 Ų7791.7 Ų91.779%0.79451%0.506SS*.THydrogen-bonded Turntrans94-8-179.400000115.3A500A500-G502 PolarHBondContact O-N 3.4Å
503C72.1Confident79.8Confident70 Ų7088.9 Ų88.947%0.47351%0.514SS..  trans-79.6134.6173.6-64.90000111.6A500A500-C503 WeakPolarHBondContact O-CB 3.21Å; A500-C503 PolarHBondContact O-N 3.26Å
504R73.3Confident79.7Confident248 Ų24886.2 Ų86.294%0.93651%0.507SS*.  trans-104.1129.2174.1-64.2-176.2-178.9-168.2-0.2109.9
505R78Confident79.7Confident145 Ų14591.5 Ų91.555%0.54754%0.536SS..  trans-126.7146.3170.7-61.1-170.4177.2-150.7-3.2109.6Q497 L498 I510Q497-R505 WeakPolarHBondContact O-CD 3.2Å; Q497-R505 PolarHBondContact O-NE 3.17Å; Q497-R505 VanDerWaalsContact O-NE 3.09Å; Q497-R505 PolarHBondContact O-NH1 3.25Å; L498-R505 HydrophobicContact CD2-CB 4.04Å; L498-R505 HydrophobicContact CD2-CG 4.35Å; R505-I510 HydrophobicContact CB-CD1 4.31Å; R505-I510 HydrophobicContact CB-CG1 4.46Å
506S82.1Confident79.8Confident75 Ų7594.4 Ų94.452%0.52455%0.548SS..  trans-74.6139.517360.30000110A508 S509 I510S506-A508 PolarHBondContact O-N 3.38Å; S506-S509 VanDerWaalsContact O-CB 3.31Å; S506-S509 WeakPolarHBondContact O-CB 3.34Å; S506-S509 PolarHBondContact O-N 2.87Å; S506-S509 WeakPolarHBondContact OG-CB 3.5Å; S506-S509 PolarHBondContact OG-N 3.48Å; S506-I510 PolarHBondContact O-N 2.87Å
507F81.5Confident79.7Confident80 Ų8094.8 Ų94.835%0.35154%0.544SS..Hα-helixtrans-57.7-36.4176.7-176.3-102.6000111.9S509 I510 V511 L523F507-S509 PolarHBondContact O-N 2.98Å; F507-I510 WeakPolarHBondContact O-CB 3.21Å; F507-I510 PolarHBondContact O-N 3.3Å; F507-I510 VanDerWaalsContact O-N 3.11Å; F507-V511 HydrophobicContact CD1-CG2 4.03Å; F507-V511 HydrophobicContact CD2-CG2 4.24Å; F507-V511 HydrophobicContact CE1-CB 4.44Å; F507-V511 HydrophobicContact CE1-CG2 3.58Å; F507-V511 HydrophobicContact CE2-CG2 3.81Å; F507-V511 HydrophobicContact CG-CG2 4.34Å; F507-V511 HydrophobicContact CZ-CG2 3.45Å; F507-V511 VanDerWaalsContact CZ-CG2 3.45Å; F507-V511 WeakPolarHBondContact O-CG2 3.35Å; F507-V511 PolarHBondContact O-N 3.38Å; F507-L523 HydrophobicContact CE1-CB 4.43Å; F507-L523 HydrophobicContact CE1-CD1 4.18Å; F507-L523 HydrophobicContact CE2-CB 4.47Å; F507-L523 HydrophobicContact CE2-CD1 4.31Å; F507-L523 HydrophobicContact CZ-CB 3.75Å; F507-L523 HydrophobicContact CZ-CD1 3.92Å; F507-L523 HydrophobicContact CZ-CG 4.43Å
508A81.9Confident79.9Confident77 Ų7794 Ų9464%0.63654%0.54SS*.Hα-helixtrans-61.5-26.5174.600000113.9S506 R512S506-A508 PolarHBondContact O-N 3.38Å; A508-R512 WeakPolarHBondContact O-CB 3.49Å; A508-R512 PolarHBondContact O-N 3.24Å
509S81.5Confident80.1Confident72 Ų7292.1 Ų92.150%0.50353%0.534SS..Hα-helixtrans-77.1-36.1175-171.80000111.8S506 F507S506-S509 VanDerWaalsContact O-CB 3.31Å; S506-S509 WeakPolarHBondContact O-CB 3.34Å; S506-S509 PolarHBondContact O-N 2.87Å; S506-S509 WeakPolarHBondContact OG-CB 3.5Å; S506-S509 PolarHBondContact OG-N 3.48Å; F507-S509 PolarHBondContact O-N 2.98Å
510I80.9Confident80.4Confident14 Ų1493.2 Ų93.27%0.07253%0.532CS..Hα-helixtrans-69.2-38178.1-66.6173.2000110.9Q497 L498 R505 S506 F507Q497-I510 VanDerWaalsContact OE1-CA 3.29Å; Q497-I510 PolarHBondContact OE1-O 2.87Å; L498-I510 HydrophobicContact CD2-CD1 3.99Å; L498-I510 HydrophobicContact CG-CD1 4.39Å; R505-I510 HydrophobicContact CB-CD1 4.31Å; R505-I510 HydrophobicContact CB-CG1 4.46Å; S506-I510 PolarHBondContact O-N 2.87Å; F507-I510 WeakPolarHBondContact O-CB 3.21Å; F507-I510 PolarHBondContact O-N 3.3Å; F507-I510 VanDerWaalsContact O-N 3.11Å
511V84.4Confident81.1Confident21 Ų2192 Ų9213%0.12751%0.514CS..SBendtrans-93.4-0.9-174.9179.30000113.2F507 G513 L514 A519 L522F507-V511 HydrophobicContact CD1-CG2 4.03Å; F507-V511 HydrophobicContact CD2-CG2 4.24Å; F507-V511 HydrophobicContact CE1-CB 4.44Å; F507-V511 HydrophobicContact CE1-CG2 3.58Å; F507-V511 HydrophobicContact CE2-CG2 3.81Å; F507-V511 HydrophobicContact CG-CG2 4.34Å; F507-V511 HydrophobicContact CZ-CG2 3.45Å; F507-V511 VanDerWaalsContact CZ-CG2 3.45Å; F507-V511 WeakPolarHBondContact O-CG2 3.35Å; F507-V511 PolarHBondContact O-N 3.38Å; V511-G513 PolarHBondContact O-N 3.04Å; V511-G513 VanDerWaalsContact O-N 3.14Å; V511-L514 HydrophobicContact CG1-CB 4.46Å; V511-L514 PolarHBondContact O-N 3.48Å; V511-L514 VanDerWaalsContact O-N 3.14Å; V511-A519 HydrophobicContact CG1-CB 3.27Å; V511-L522 HydrophobicContact CG2-CD1 4.17Å
512R80.8Confident81.8Confident223 Ų22384.6 Ų84.684%0.84247%0.469SS*.THydrogen-bonded Turntrans-61.8119.3-175.9-170.4-179.3174.2105.80.6111.2A508A508-R512 WeakPolarHBondContact O-CB 3.49Å; A508-R512 PolarHBondContact O-N 3.24Å
513G82.3Confident82.8Confident79 Ų7984.8 Ų84.881%0.81445%0.452SS*.THydrogen-bonded Turntrans86.810.8177.800000114.8V511V511-G513 PolarHBondContact O-N 3.04Å; V511-G513 VanDerWaalsContact O-N 3.14Å
514L83.1Confident83.6Confident49 Ų4985.9 Ų85.926%0.25745%0.452SS..  trans-97.7151.7171.8-61.5177.6000111.1V511 E518 L522V511-L514 HydrophobicContact CG1-CB 4.46Å; V511-L514 PolarHBondContact O-N 3.48Å; V511-L514 VanDerWaalsContact O-N 3.14Å; L514-E518 HydrophobicContact CB-CB 4.17Å; L514-L522 HydrophobicContact CD1-CD1 3.21Å
515D85.9Confident84.3Confident123 Ų12374.1 Ų74.166%0.65841%0.408SS*.  trans-63.4153174.3-67.6-24.9000111.5M517 E518 A519D515-M517 PolarHBondContact O-N 2.82Å; D515-M517 VanDerWaalsContact O-N 3.09Å; D515-E518 HydrophobicContact CB-CG 4.47Å; D515-E518 PolarHBondContact O-N 2.83Å; D515-A519 PolarHBondContact O-N 2.86Å
516N85.5Confident84.7Confident138 Ų13868.4 Ų68.474%0.73839%0.391SS*.Hα-helixtrans-53.6-35.4-179.7-68-19.5000112.8A519 C520N516-A519 WeakPolarHBondContact O-CB 3.41Å; N516-C520 PolarHBondContact O-N 3.29Å; N516-C520 PolarHBondContact O-SG 2.98Å
517M83.3Confident84.9Confident110 Ų11069.3 Ų69.354%0.54239%0.389SS..Hα-helixtrans-71.2-40.3178.1-62.4-57.8-67.100112.2D515 A519 C520 K521D515-M517 PolarHBondContact O-N 2.82Å; D515-M517 VanDerWaalsContact O-N 3.09Å; M517-A519 VanDerWaalsContact C-N 3.33Å; M517-C520 PolarHBondContact O-N 3.21Å; M517-K521 WeakPolarHBondContact O-CG 3.48Å; M517-K521 PolarHBondContact O-N 2.81Å
518E85.7Confident85.1Confident38 Ų3869.4 Ų69.418%0.17839%0.39CS..Hα-helixtrans-68.3-35.6176-69.8-62.812500111.2Y490 L514 D515 K521 L522Y490-E518 WeakPolarHBondContact CE1-OE2 3.42Å; Y490-E518 VanDerWaalsContact CZ-OE2 3.3Å; Y490-E518 PolarHBondContact OH-OE1 2.79Å; Y490-E518 VanDerWaalsContact OH-OE1 3.06Å; Y490-E518 PolarHBondContact OH-OE2 2.97Å; L514-E518 HydrophobicContact CB-CB 4.17Å; D515-E518 HydrophobicContact CB-CG 4.47Å; D515-E518 PolarHBondContact O-N 2.83Å; E518-K521 PolarHBondContact O-N 3.01Å; E518-K521 IonicContact OE1-NZ 3.73Å; E518-K521 PolarHBondContact OE1-NZ 3.43Å; E518-L522 WeakPolarHBondContact O-CB 3.27Å; E518-L522 WeakPolarHBondContact O-CG 3.31Å; E518-L522 PolarHBondContact O-N 2.74Å
519A86.1Confident85Confident19 Ų1968.6 Ų68.616%0.15738%0.375CS..Hα-helixtrans-58.9-46.6170.100000112.1V511 D515 N516 M517 L522 L523V511-A519 HydrophobicContact CG1-CB 3.27Å; D515-A519 PolarHBondContact O-N 2.86Å; N516-A519 WeakPolarHBondContact O-CB 3.41Å; M517-A519 VanDerWaalsContact C-N 3.33Å; A519-L522 PolarHBondContact O-N 3.09Å; A519-L523 WeakPolarHBondContact O-CB 3.38Å; A519-L523 PolarHBondContact O-N 2.82Å
520C87.1Confident84.9Confident79 Ų7968.7 Ų68.753%0.53437%0.372SS..Hα-helixtrans-64.5-41.3177-70.20000112.4N516 M517 L523 L524N516-C520 PolarHBondContact O-N 3.29Å; N516-C520 PolarHBondContact O-SG 2.98Å; M517-C520 PolarHBondContact O-N 3.21Å; C520-L523 WeakPolarHBondContact O-CB 3.28Å; C520-L523 PolarHBondContact O-N 3Å; C520-L524 PolarHBondContact O-N 3.44Å
521K88.7Confident84.8Confident39 Ų3972.1 Ų72.117%0.1739%0.391CS..Hα-helixtrans-61.9-43.9175.3-73.9175.7-175.6175.50112.1F485 Y490 M517 E518 L523 L524 A525F485-K521 HydrophobicContact CD2-CB 4.02Å; F485-K521 HydrophobicContact CD2-CD 3.85Å; F485-K521 HydrophobicContact CD2-CG 3.74Å; F485-K521 HydrophobicContact CE2-CB 3.69Å; F485-K521 HydrophobicContact CE2-CD 4.38Å; F485-K521 HydrophobicContact CE2-CG 3.88Å; Y490-K521 HydrophobicContact CD1-CB 4.24Å; Y490-K521 HydrophobicContact CE1-CB 3.98Å; Y490-K521 HydrophobicContact CE1-CD 4.24Å; Y490-K521 HydrophobicContact CE2-CD 4.31Å; Y490-K521 WeakPolarHBondContact OH-CD 3.42Å; M517-K521 WeakPolarHBondContact O-CG 3.48Å; M517-K521 PolarHBondContact O-N 2.81Å; E518-K521 PolarHBondContact O-N 3.01Å; E518-K521 IonicContact OE1-NZ 3.73Å; E518-K521 PolarHBondContact OE1-NZ 3.43Å; K521-L523 VanDerWaalsContact C-N 3.35Å; K521-L524 PolarHBondContact O-N 3.44Å; K521-A525 WeakPolarHBondContact O-CB 3.3Å; K521-A525 PolarHBondContact O-N 2.81Å
522L86.2Confident84.1Confident0 Ų074.9 Ų74.90%041%0.405CS..Hα-helixtrans-65.1-38.1174.9-76168.3000112.1Y490 I494 V511 L514 E518 A519 A525 S526Y490-L522 HydrophobicContact CD1-CD2 3.72Å; Y490-L522 HydrophobicContact CD1-CG 3.95Å; Y490-L522 HydrophobicContact CE1-CG 4.42Å; I494-L522 HydrophobicContact CD1-CB 4.49Å; I494-L522 HydrophobicContact CD1-CD2 3.91Å; I494-L522 VanDerWaalsContact CD1-O 3.28Å; I494-L522 WeakPolarHBondContact CD1-O 3.4Å; I494-L522 HydrophobicContact CG1-CD2 3.59Å; V511-L522 HydrophobicContact CG2-CD1 4.17Å; L514-L522 HydrophobicContact CD1-CD1 3.21Å; E518-L522 WeakPolarHBondContact O-CB 3.27Å; E518-L522 WeakPolarHBondContact O-CG 3.31Å; E518-L522 PolarHBondContact O-N 2.74Å; A519-L522 PolarHBondContact O-N 3.09Å; L522-A525 PolarHBondContact O-N 3.32Å; L522-S526 VanDerWaalsContact O-CB 3.32Å; L522-S526 WeakPolarHBondContact O-CB 3.31Å; L522-S526 PolarHBondContact O-N 2.97Å; L522-S526 PolarHBondContact O-OG 3.44Å
523L87.6Confident83.4Confident81 Ų8169 Ų6942%0.42439%0.39SS..Hα-helixtrans-61.7-47.5174.4-176.164.5000110.7F507 A519 C520 K521 A525 S526 L527F507-L523 HydrophobicContact CE1-CB 4.43Å; F507-L523 HydrophobicContact CE1-CD1 4.18Å; F507-L523 HydrophobicContact CE2-CB 4.47Å; F507-L523 HydrophobicContact CE2-CD1 4.31Å; F507-L523 HydrophobicContact CZ-CB 3.75Å; F507-L523 HydrophobicContact CZ-CD1 3.92Å; F507-L523 HydrophobicContact CZ-CG 4.43Å; A519-L523 WeakPolarHBondContact O-CB 3.38Å; A519-L523 PolarHBondContact O-N 2.82Å; C520-L523 WeakPolarHBondContact O-CB 3.28Å; C520-L523 PolarHBondContact O-N 3Å; K521-L523 VanDerWaalsContact C-N 3.35Å; L523-A525 PolarHBondContact O-N 2.85Å; L523-S526 PolarHBondContact O-N 2.88Å; L523-S526 PolarHBondContact O-OG 3.12Å; L523-L527 HydrophobicContact CG-CD1 4.43Å; L523-L527 WeakPolarHBondContact O-CG 3.19Å; L523-L527 PolarHBondContact O-N 3.16Å
524L89.2Confident82.3Confident93 Ų9372.8 Ų72.849%0.48738%0.384SS..Hα-helixtrans-61.8-45.2178.7-172.966.4000112F485 C520 K521 S526 L527 Q528F485-L524 HydrophobicContact CE1-CD2 3.78Å; F485-L524 HydrophobicContact CZ-CD2 3.95Å; F485-L524 HydrophobicContact CZ-CG 4.49Å; C520-L524 PolarHBondContact O-N 3.44Å; K521-L524 PolarHBondContact O-N 3.44Å; L524-S526 VanDerWaalsContact C-N 3.31Å; L524-S526 PolarHBondContact O-N 3.49Å; L524-L527 PolarHBondContact O-N 3.46Å; L524-Q528 PolarHBondContact O-N 2.87Å
525A89.3Confident81.1Confident1 Ų176.1 Ų76.11%0.00840%0.401CS..Hα-helixtrans-62.9-37.5175.100000111.9I487 I494 K521 L522 L523 Q528 L529I487-A525 HydrophobicContact CG1-CB 4.24Å; I494-A525 HydrophobicContact CD1-CB 3.9Å; K521-A525 WeakPolarHBondContact O-CB 3.3Å; K521-A525 PolarHBondContact O-N 2.81Å; L522-A525 PolarHBondContact O-N 3.32Å; L523-A525 PolarHBondContact O-N 2.85Å; A525-Q528 PolarHBondContact O-N 3.33Å; A525-L529 WeakPolarHBondContact O-CB 3.46Å; A525-L529 PolarHBondContact O-N 2.97Å
526S85.9Confident79.8Confident26 Ų2674.1 Ų74.118%0.18239%0.39CS..Hα-helixtrans-65.1-40.2176.177.60000112.6L522 L523 L524 L529 V530L522-S526 VanDerWaalsContact O-CB 3.32Å; L522-S526 WeakPolarHBondContact O-CB 3.31Å; L522-S526 PolarHBondContact O-N 2.97Å; L522-S526 PolarHBondContact O-OG 3.44Å; L523-S526 PolarHBondContact O-N 2.88Å; L523-S526 PolarHBondContact O-OG 3.12Å; L524-S526 VanDerWaalsContact C-N 3.31Å; L524-S526 PolarHBondContact O-N 3.49Å; S526-L529 PolarHBondContact O-N 3.1Å; S526-V530 WeakPolarHBondContact O-CG2 3.49Å; S526-V530 PolarHBondContact O-N 3.08Å
527L86.9Confident78.6Confident93 Ų9372.8 Ų72.849%0.48738%0.383SS..Hα-helixtrans-65.1-42.5175.9-70.5169.8000111L523 L524 L529 V530 N531L523-L527 HydrophobicContact CG-CD1 4.43Å; L523-L527 WeakPolarHBondContact O-CG 3.19Å; L523-L527 PolarHBondContact O-N 3.16Å; L524-L527 PolarHBondContact O-N 3.46Å; L527-L529 VanDerWaalsContact C-N 3.31Å; L527-L529 PolarHBondContact O-N 3.04Å; L527-V530 PolarHBondContact O-N 3.24Å; L527-N531 PolarHBondContact O-N 2.97Å
528Q84.7Confident77.5Confident82 Ų8271 Ų7138%0.38338%0.379SS..Hα-helixtrans-63.7-39.8176.4-174.966-11.300111.7I487 L524 A525 V530 N531 L532I487-Q528 HydrophobicContact CD1-CB 3.8Å; I487-Q528 HydrophobicContact CD1-CG 3.86Å; I487-Q528 HydrophobicContact CG1-CB 4.24Å; I487-Q528 HydrophobicContact CG1-CG 4.31Å; L524-Q528 PolarHBondContact O-N 2.87Å; A525-Q528 PolarHBondContact O-N 3.33Å; Q528-V530 VanDerWaalsContact C-N 3.33Å; Q528-V530 PolarHBondContact O-N 2.94Å; Q528-N531 PolarHBondContact O-N 3.48Å; Q528-L532 VanDerWaalsContact O-CB 3.27Å; Q528-L532 WeakPolarHBondContact O-CB 3.46Å; Q528-L532 PolarHBondContact O-N 3.25Å
529L81Confident76.1Confident60 Ų6074.3 Ų74.331%0.31440%0.397SS..Hα-helixtrans-63.2-40.2177.1-158.4149.4000111.4V495 A525 S526 L527 L532 L533V495-L529 HydrophobicContact CG2-CD1 3.6Å; A525-L529 WeakPolarHBondContact O-CB 3.46Å; A525-L529 PolarHBondContact O-N 2.97Å; S526-L529 PolarHBondContact O-N 3.1Å; L527-L529 VanDerWaalsContact C-N 3.31Å; L527-L529 PolarHBondContact O-N 3.04Å; L529-L532 PolarHBondContact O-N 2.86Å; L529-L533 VanDerWaalsContact O-CB 3.31Å; L529-L533 WeakPolarHBondContact O-CB 3.42Å; L529-L533 PolarHBondContact O-N 2.83Å
530V79.3Confident74.7Confident74 Ų7478.2 Ų78.245%0.44842%0.415SS..Hα-helixtrans-63.5-44.3174.1173.50000111.4S526 L527 Q528 L533 F534S526-V530 WeakPolarHBondContact O-CG2 3.49Å; S526-V530 PolarHBondContact O-N 3.08Å; L527-V530 PolarHBondContact O-N 3.24Å; Q528-V530 VanDerWaalsContact C-N 3.33Å; Q528-V530 PolarHBondContact O-N 2.94Å; V530-L533 PolarHBondContact O-N 3.31Å; V530-F534 HydrophobicContact CG1-CD2 3.92Å; V530-F534 HydrophobicContact CG1-CE2 4.29Å; V530-F534 WeakPolarHBondContact O-CB 3.26Å; V530-F534 PolarHBondContact O-N 3.2Å
531N77.4Confident73.4Confident86 Ų8681.3 Ų81.346%0.4642%0.42SS..Hα-helixtrans-64.7-43.3178.4-71.6-18.1000112.2L527 Q528 L533 F534 L535L527-N531 PolarHBondContact O-N 2.97Å; Q528-N531 PolarHBondContact O-N 3.48Å; N531-L533 VanDerWaalsContact C-N 3.32Å; N531-F534 PolarHBondContact O-N 2.87Å; N531-L535 WeakPolarHBondContact O-CB 3.07Å; N531-L535 WeakPolarHBondContact O-CG 3.5Å; N531-L535 PolarHBondContact O-N 2.72Å
532L70.7Confident71.9Confident79 Ų7984.6 Ų84.641%0.41444%0.438SS..Hα-helixtrans-64.5-40.8178.4-155.9131000110.1Q528 L529 L536Q528-L532 VanDerWaalsContact O-CB 3.27Å; Q528-L532 WeakPolarHBondContact O-CB 3.46Å; Q528-L532 PolarHBondContact O-N 3.25Å; L529-L532 PolarHBondContact O-N 2.86Å; L532-L536 HydrophobicContact CD2-CD1 3.28Å; L532-L536 HydrophobicContact CG-CD1 3.69Å; L532-L536 WeakPolarHBondContact O-CB 3.49Å; L532-L536 PolarHBondContact O-N 3.45Å
533L64.6Low70.6Confident101 Ų10189.8 Ų89.853%0.52947%0.466SS..Hα-helixtrans-66.6-41.6174.5-151.999.1000112.2L529 V530 N531 L535 L537L529-L533 VanDerWaalsContact O-CB 3.31Å; L529-L533 WeakPolarHBondContact O-CB 3.42Å; L529-L533 PolarHBondContact O-N 2.83Å; V530-L533 PolarHBondContact O-N 3.31Å; N531-L533 VanDerWaalsContact C-N 3.32Å; L533-L535 VanDerWaalsContact C-N 3.35Å; L533-L535 PolarHBondContact O-N 3.1Å; L533-L537 HydrophobicContact CD1-CD1 4.45Å; L533-L537 HydrophobicContact CD2-CD1 3.94Å; L533-L537 HydrophobicContact CG-CD1 3.75Å; L533-L537 VanDerWaalsContact O-CB 3.3Å; L533-L537 WeakPolarHBondContact O-CB 3.07Å; L533-L537 PolarHBondContact O-N 3.22Å
534F60Low69.3Low157 Ų15790.6 Ų90.669%0.68947%0.47SS*.Hα-helixtrans-67.3-32.2178.9-106.6-85000113.5V530 N531 P538V530-F534 HydrophobicContact CG1-CD2 3.92Å; V530-F534 HydrophobicContact CG1-CE2 4.29Å; V530-F534 WeakPolarHBondContact O-CB 3.26Å; V530-F534 PolarHBondContact O-N 3.2Å; N531-F534 PolarHBondContact O-N 2.87Å; F534-P538 WeakPolarHBondContact O-CD 3.25Å; F534-P538 VanDerWaalsContact O-CG 3.25Å; F534-P538 WeakPolarHBondContact O-CG 3.01Å
535L57.6Low67.7Low120 Ų12090.5 Ų90.563%0.62847%0.469SS*.Hα-helixtrans-84.7-37.7177.1-74165.2000112.1N531 L533 P538 L539N531-L535 WeakPolarHBondContact O-CB 3.07Å; N531-L535 WeakPolarHBondContact O-CG 3.5Å; N531-L535 PolarHBondContact O-N 2.72Å; L533-L535 VanDerWaalsContact C-N 3.35Å; L533-L535 PolarHBondContact O-N 3.1Å; L535-P538 WeakPolarHBondContact O-CD 3.45Å; L535-P538 WeakPolarHBondContact O-CG 3.46Å; L535-L539 WeakPolarHBondContact O-CD1 3.49Å
536L58.1Low66.2Low80 Ų8095.9 Ų95.942%0.41950%0.497SS..Hα-helixtrans-82.1-31.5-179.2-78.1158.2000113.7L532 L539 L540L532-L536 HydrophobicContact CD2-CD1 3.28Å; L532-L536 HydrophobicContact CG-CD1 3.69Å; L532-L536 WeakPolarHBondContact O-CB 3.49Å; L532-L536 PolarHBondContact O-N 3.45Å; L536-L539 PolarHBondContact O-N 3.42Å; L536-L540 WeakPolarHBondContact O-CA 3.48Å; L536-L540 WeakPolarHBondContact O-CB 3.31Å; L536-L540 PolarHBondContact O-N 3.19Å
537L62Low64.8Low111 Ų111101.2 Ų101.258%0.58152%0.523SS*.Hα-helixtrans-54.8-50.2176-122.893000112.9L533 F541L533-L537 HydrophobicContact CD1-CD1 4.45Å; L533-L537 HydrophobicContact CD2-CD1 3.94Å; L533-L537 HydrophobicContact CG-CD1 3.75Å; L533-L537 VanDerWaalsContact O-CB 3.3Å; L533-L537 WeakPolarHBondContact O-CB 3.07Å; L533-L537 PolarHBondContact O-N 3.22Å; L537-F541 WeakPolarHBondContact O-CB 3.19Å; L537-F541 PolarHBondContact O-N 2.73Å
538P59.4Low63.1Low73 Ų73103.9 Ų103.947%0.47454%0.537SS..Hα-helixtrans-70.2-36.1179.324.9-31.6000112F534 L535 L542F534-P538 WeakPolarHBondContact O-CD 3.25Å; F534-P538 VanDerWaalsContact O-CG 3.25Å; F534-P538 WeakPolarHBondContact O-CG 3.01Å; L535-P538 WeakPolarHBondContact O-CD 3.45Å; L535-P538 WeakPolarHBondContact O-CG 3.46Å; P538-L542 WeakPolarHBondContact O-CB 3.14Å; P538-L542 PolarHBondContact O-N 2.94Å
539L56Low61.3Low106 Ų106108.8 Ų108.856%0.55556%0.564SS**Hα-helixtrans-67.8-42.3176.6-85.4166.1000112.5L535 L536 L542 L543L535-L539 WeakPolarHBondContact O-CD1 3.49Å; L536-L539 PolarHBondContact O-N 3.42Å; L539-L542 PolarHBondContact O-N 2.81Å; L539-L543 WeakPolarHBondContact O-CB 3.16Å; L539-L543 PolarHBondContact O-N 3.04Å
540L57.4Low60.3Low102 Ų102111.2 Ų111.253%0.53458%0.577SS.*Hα-helixtrans-72-36.5178.9-151.5162.5000109.8L536 L543 L544L536-L540 WeakPolarHBondContact O-CA 3.48Å; L536-L540 WeakPolarHBondContact O-CB 3.31Å; L536-L540 PolarHBondContact O-N 3.19Å; L540-L543 PolarHBondContact O-N 3.38Å; L540-L544 HydrophobicContact CD2-CD1 3.78Å; L540-L544 VanDerWaalsContact O-CB 3.31Å; L540-L544 WeakPolarHBondContact O-CB 3.44Å; L540-L544 PolarHBondContact O-N 3.3Å
541F58.4Low59.3Low144 Ų144113.2 Ų113.263%0.63258%0.583SS**Hα-helixtrans-62.1-44169-171.2-98.6000111.7L537 L544 L545L537-F541 WeakPolarHBondContact O-CB 3.19Å; L537-F541 PolarHBondContact O-N 2.73Å; F541-L544 PolarHBondContact O-N 3.43Å; F541-L545 HydrophobicContact CD1-CD1 4.17Å; F541-L545 HydrophobicContact CE1-CD1 3.56Å; F541-L545 HydrophobicContact CZ-CD1 3.94Å; F541-L545 WeakPolarHBondContact O-CB 3.32Å; F541-L545 PolarHBondContact O-N 3.39Å
542L58.3Low58.3Low107 Ų107114.7 Ų114.756%0.5659%0.59SS**Hα-helixtrans-69.6-32.8179.1-160.5135.5000112.2P538 L539 L546P538-L542 WeakPolarHBondContact O-CB 3.14Å; P538-L542 PolarHBondContact O-N 2.94Å; L539-L542 PolarHBondContact O-N 2.81Å; L542-L546 HydrophobicContact CD2-CD1 3.88Å; L542-L546 WeakPolarHBondContact O-CB 3.39Å; L542-L546 PolarHBondContact O-N 3.39Å
543L59Low57.6Low109 Ų109116.8 Ų116.857%0.57160%0.601SS**Hα-helixtrans-76.8-35.6175.7-157.7145.5000111.9L539 L540 L546 L547L539-L543 WeakPolarHBondContact O-CB 3.16Å; L539-L543 PolarHBondContact O-N 3.04Å; L540-L543 PolarHBondContact O-N 3.38Å; L543-L546 PolarHBondContact O-N 3.48Å; L543-L547 HydrophobicContact CD2-CD1 3.82Å; L543-L547 WeakPolarHBondContact O-CB 3.34Å; L543-L547 PolarHBondContact O-N 2.86Å
544L59.5Low57.2Low99 Ų99117.8 Ų117.852%0.51861%0.605SS.*Hα-helixtrans-65.8-38.8168.3-112.6150.5000111.4L540 F541 L546 L547 L548L540-L544 HydrophobicContact CD2-CD1 3.78Å; L540-L544 VanDerWaalsContact O-CB 3.31Å; L540-L544 WeakPolarHBondContact O-CB 3.44Å; L540-L544 PolarHBondContact O-N 3.3Å; F541-L544 PolarHBondContact O-N 3.43Å; L544-L546 VanDerWaalsContact C-N 3.34Å; L544-L547 PolarHBondContact O-N 3.5Å; L544-L548 WeakPolarHBondContact O-CB 3.33Å; L544-L548 PolarHBondContact O-N 3.15Å; L544-L548 VanDerWaalsContact O-N 3.16Å
545L56.6Low57Low90 Ų90115.1 Ų115.147%0.47160%0.599SS.*Hα-helixtrans-68.9-34.2176.6-139.4127.6000111.7F541 L548 I549F541-L545 HydrophobicContact CD1-CD1 4.17Å; F541-L545 HydrophobicContact CE1-CD1 3.56Å; F541-L545 HydrophobicContact CZ-CD1 3.94Å; F541-L545 WeakPolarHBondContact O-CB 3.32Å; F541-L545 PolarHBondContact O-N 3.39Å; L545-L548 PolarHBondContact O-N 3.32Å; L545-I549 HydrophobicContact CD2-CD1 4.38Å; L545-I549 WeakPolarHBondContact O-CG1 3.37Å; L545-I549 PolarHBondContact O-N 3.32Å
546L57.8Low56.9Low114 Ų114114.8 Ų114.860%0.59760%0.597SS**Hα-helixtrans-73.1-26.1173.2-94159000113.9L542 L543 L544L542-L546 HydrophobicContact CD2-CD1 3.88Å; L542-L546 WeakPolarHBondContact O-CB 3.39Å; L542-L546 PolarHBondContact O-N 3.39Å; L543-L546 PolarHBondContact O-N 3.48Å; L544-L546 VanDerWaalsContact C-N 3.34Å
547L57.1Low56.9Low138 Ų138117.5 Ų117.572%0.72361%0.611SS**Hα-helixtrans-83.8-12.7173.6-86.8162.9000113.2L543 L544L543-L547 HydrophobicContact CD2-CD1 3.82Å; L543-L547 WeakPolarHBondContact O-CB 3.34Å; L543-L547 PolarHBondContact O-N 2.86Å; L544-L547 PolarHBondContact O-N 3.5Å
548L50Low56.4Low150 Ų150118 Ų11879%0.78561%0.614SS**  trans-101-1.2179.7-137.7115.6000113.2L544 L545L544-L548 WeakPolarHBondContact O-CB 3.33Å; L544-L548 PolarHBondContact O-N 3.15Å; L544-L548 VanDerWaalsContact O-N 3.16Å; L545-L548 PolarHBondContact O-N 3.32Å
549I47.7Very low56.2Low184 Ų184122.1 Ų122.194%0.94463%0.626SS**  trans-103.30167.9-62.7167.5000107L545L545-I549 HydrophobicContact CD2-CD1 4.38Å; L545-I549 WeakPolarHBondContact O-CG1 3.37Å; L545-I549 PolarHBondContact O-N 3.32Å

Retrieved 549 of 549 residues in 535.9 ms (Link to these results)