A0A077YXG5_TRITR Loading...

SAC3 GANP domain containing protein

AlphaFold DB , UniProt , Accession A0A077YXG5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,143 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
1M35Very low79.1Confident244 Ų24497.9 Ų97.9100%1.20251%0.506SS*.  0135.40-67.5168.4172.900108.3
2S51.8Low80.6Confident113 Ų11390.9 Ų90.979%0.7947%0.47SS*.PPolyproline II helixtrans-65.1140.7159.236.90000108.5I4S2-I4 PolarHBondContact O-N 3.17Å
3K66.8Low81.8Confident203 Ų20384 Ų8488%0.88343%0.434SS*.PPolyproline II helixtrans-70.7124.6171.5-71.2-174.1176.1-175.90108.2
4I75.9Confident82.8Confident118 Ų11878.4 Ų78.461%0.60541%0.406SS*.PPolyproline II helixtrans-62.1126.5168.3-58.1174.5000106.7S2 L117 C118S2-I4 PolarHBondContact O-N 3.17Å; I4-L117 WeakPolarHBondContact CG2-O 3.4Å; I4-C118 HydrophobicContact CG2-CB 4.26Å
5P82.5Confident83.5Confident48 Ų4875.2 Ų75.231%0.31239%0.388SS..PPolyproline II helixtrans-71.5146.118029.1-32.5000110.4Q116 L117P5-Q116 WeakPolarHBondContact CG-O 3.28Å; P5-L117 HydrophobicContact CB-CD2 4.45Å; P5-L117 HydrophobicContact CG-CD2 4.4Å; P5-L117 VanDerWaalsContact O-CD2 3.26Å; P5-L117 WeakPolarHBondContact O-CD2 3.18Å
6V87.2Confident84Confident78 Ų7877.8 Ų77.847%0.47340%0.396SS..  trans-115.6136.4178.8179.20000108.2Y8 P65V6-Y8 HydrophobicContact CB-CE2 4.21Å; V6-Y8 HydrophobicContact CG1-CE1 4.24Å; V6-Y8 HydrophobicContact CG1-CE2 4.17Å; V6-P65 WeakPolarHBondContact O-CA 3.4Å; V6-P65 WeakPolarHBondContact O-CB 3.38Å
7G92.2Very high84.6Confident11 Ų1175.3 Ų75.311%0.11338%0.382CS..  trans-92.1132.4174.400000112.2P65 F68 S70G7-P65 WeakPolarHBondContact CA-O 3.38Å; G7-F68 CarbonylContact C-O 3.55Å; G7-F68 WeakPolarHBondContact CA-O 3.49Å; G7-S70 WeakPolarHBondContact O-CA 3.27Å; G7-S70 WeakPolarHBondContact O-CB 3.47Å
8Y92.2Very high85.2Confident157 Ų15771.3 Ų71.362%0.61636%0.362SS*.  trans-114.9-0-179.7-65.2-79.3000114V6 D10 P65 F68V6-Y8 HydrophobicContact CB-CE2 4.21Å; V6-Y8 HydrophobicContact CG1-CE1 4.24Å; V6-Y8 HydrophobicContact CG1-CE2 4.17Å; Y8-D10 PolarHBondContact O-N 2.78Å; Y8-P65 HydrophobicContact CD2-CB 3.46Å; Y8-P65 VanDerWaalsContact CD2-CB 3.46Å; Y8-P65 HydrophobicContact CE2-CB 3.66Å; Y8-P65 PolarHBondContact N-O 3.24Å; Y8-F68 PolarHBondContact N-O 2.95Å
9C94.7Very high85.5Confident11 Ų1169.9 Ų69.97%0.07436%0.359CS..BIsolated β-bridgetrans-81.5106176178.90000110.6D11 P14 H66 F68 R69 S70C9-D11 PolarHBondContact O-N 3.18Å; C9-P14 HydrophobicContact CB-CG 4.48Å; C9-H66 WeakPolarHBondContact CB-O 3.38Å; C9-F68 WeakPolarHBondContact CB-O 3.47Å; C9-F68 PolarHBondContact N-O 3.14Å; C9-R69 HydrophobicContact CB-CG 4.46Å; C9-R69 CarbonylContact O-C 3.19Å; C9-R69 VanDerWaalsContact O-CA 3.3Å; C9-R69 WeakPolarHBondContact O-CA 3.46Å; C9-S70 PolarHBondContact O-N 2.82Å; C9-S70 PolarHBondContact O-OG 2.96Å
10D95.4Very high85.9Confident74 Ų7470.9 Ų70.940%0.39636%0.364SS..  trans-79.21.7174.7-71-20.8000113.5Y8 S70 I72 K76Y8-D10 PolarHBondContact O-N 2.78Å; D10-S70 VanDerWaalsContact OD1-CB 3.24Å; D10-S70 WeakPolarHBondContact OD1-CB 3.49Å; D10-S70 PolarHBondContact OD1-OG 3.4Å; D10-I72 HydrophobicContact CB-CB 4.44Å; D10-I72 HydrophobicContact CB-CG2 4.19Å; D10-K76 VanDerWaalsContact O-CD 3.3Å; D10-K76 WeakPolarHBondContact O-CD 3.47Å; D10-K76 VanDerWaalsContact O-CE 3.3Å; D10-K76 WeakPolarHBondContact O-CE 3.46Å; D10-K76 PolarHBondContact O-NZ 2.91Å
11D96.1Very high86.3Confident20 Ų2068 Ų6811%0.10735%0.348CS..SBendtrans-93.1169.4175.5-63.3-35.1000112.1C9 C13 R18 R69 G73 P346 A347C9-D11 PolarHBondContact O-N 3.18Å; D11-C13 VanDerWaalsContact C-N 3.31Å; D11-R18 IonicContact OD2-CZ 2.65Å; D11-R18 IonicContact OD2-NH1 3.67Å; D11-R18 PolarHBondContact OD2-NH1 2.97Å; D11-R18 IonicContact OD2-NH2 3.04Å; D11-R69 WeakPolarHBondContact O-CD 3.22Å; D11-R69 WeakPolarHBondContact O-CG 3.43Å; D11-G73 VanDerWaalsContact O-CA 3.3Å; D11-G73 WeakPolarHBondContact O-CA 3.38Å; D11-P346 WeakPolarHBondContact OD1-CA 3.38Å; D11-A347 PolarHBondContact OD1-N 3.39Å; D11-A347 PolarHBondContact OD2-N 2.93Å; D11-A347 VanDerWaalsContact OD2-N 3.07Å
12M97Very high89Confident14 Ų1460 Ų607%0.06931%0.308CS..SBendtrans-76.7-17.1175.6-58.1-165.1-52.500113.6C47 A49 I50 K51 R69 K76 A77 F80M12-C47 WeakPolarHBondContact CE-O 3.35Å; M12-A49 CarbonylContact C-O 3.52Å; M12-A49 WeakPolarHBondContact CB-O 3.43Å; M12-I50 HydrophobicContact CE-CG1 4.47Å; M12-I50 WeakPolarHBondContact O-CA 3.36Å; M12-K51 PolarHBondContact O-N 3.11Å; M12-R69 WeakPolarHBondContact O-CD 3.29Å; M12-R69 PolarHBondContact O-NH1 2.78Å; M12-K76 HydrophobicContact CG-CB 3.65Å; M12-K76 VanDerWaalsContact SD-C 3.54Å; M12-K76 HydrophobicContact SD-CB 4.14Å; M12-A77 HydrophobicContact CB-CB 4.09Å; M12-A77 HydrophobicContact CG-CB 4.13Å; M12-F80 HydrophobicContact CE-CB 3.98Å; M12-F80 HydrophobicContact CE-CD1 3.51Å; M12-F80 HydrophobicContact CE-CE1 4.31Å; M12-F80 HydrophobicContact CE-CG 3.9Å; M12-F80 HydrophobicContact SD-CB 3.47Å; M12-F80 WeakPolarHBondContact SD-CB 3.11Å; M12-F80 HydrophobicContact SD-CD1 4.06Å; M12-F80 HydrophobicContact SD-CG 4.08Å
13C97Very high90.9Very high1 Ų161.2 Ų61.21%0.00731%0.305CS..SBendtrans-149.4131.3176.2-179.40000109.1D11 E17 R18 A49D11-C13 VanDerWaalsContact C-N 3.31Å; C13-E17 PolarHBondContact SG-OE1 3.13Å; C13-E17 VanDerWaalsContact SG-OE1 3.38Å; C13-R18 HydrophobicContact CB-CG 3.78Å; C13-R18 PolarHBondContact O-NH1 3.18Å; C13-R18 VanDerWaalsContact SG-CG 3.59Å; C13-A49 HydrophobicContact CB-CB 4.02Å; C13-A49 WeakPolarHBondContact CB-O 3.46Å; C13-A49 PolarHBondContact N-O 2.97Å
14P95.3Very high92.1Very high6 Ų654.1 Ų54.14%0.03928%0.277CS..  trans-59.3141.3177.6-22.532.5000112.6C9 K16 E17 R18 K51 E67C9-P14 HydrophobicContact CB-CG 4.48Å; P14-K16 VanDerWaalsContact C-N 3.35Å; P14-K16 PolarHBondContact O-N 3.22Å; P14-E17 WeakPolarHBondContact O-CA 3.41Å; P14-E17 WeakPolarHBondContact O-CB 3.35Å; P14-E17 PolarHBondContact O-N 3.1Å; P14-R18 PolarHBondContact O-N 3.2Å; P14-K51 HydrophobicContact CG-CD 4.33Å; P14-E67 VanDerWaalsContact CG-O 3.26Å; P14-E67 WeakPolarHBondContact CG-O 3.36Å
15E93.3Very high92.8Very high30 Ų3057.2 Ų57.214%0.1428%0.281CS..Hα-helixtrans-50.5-49.9-175.5178.3176.1-143.900113.4E17 R18 C19 S348 S349 F350E15-E17 PolarHBondContact O-N 2.58Å; E15-R18 WeakPolarHBondContact O-CB 3.41Å; E15-R18 PolarHBondContact O-N 3.41Å; E15-C19 PolarHBondContact O-N 2.83Å; E15-C19 PolarHBondContact O-SG 3.06Å; E15-C19 VanDerWaalsContact O-SG 3.38Å; E15-S348 WeakPolarHBondContact OE1-CA 3.42Å; E15-S348 VanDerWaalsContact OE1-CB 3.26Å; E15-S348 WeakPolarHBondContact OE1-CB 3.31Å; E15-S348 PolarHBondContact OE1-OG 3.32Å; E15-S349 VanDerWaalsContact CD-N 3.28Å; E15-S349 PolarHBondContact OE1-N 3.39Å; E15-S349 WeakPolarHBondContact OE2-CB 3.35Å; E15-S349 PolarHBondContact OE2-N 2.99Å; E15-S349 PolarHBondContact OE2-OG 3.02Å; E15-F350 VanDerWaalsContact OE1-CD2 3.3Å; E15-F350 WeakPolarHBondContact OE1-CD2 3.42Å
16K91.2Very high93.3Very high117 Ų11757.8 Ų57.851%0.50928%0.281SS..Hα-helixtrans-52-39.5176.1176.1-176.9171.5-170.20112.4P14 L20 E67P14-K16 VanDerWaalsContact C-N 3.35Å; P14-K16 PolarHBondContact O-N 3.22Å; K16-L20 HydrophobicContact CG-CD1 4.11Å; K16-L20 WeakPolarHBondContact O-CB 3.44Å; K16-L20 WeakPolarHBondContact O-CD1 3.39Å; K16-L20 WeakPolarHBondContact O-CG 3.38Å; K16-L20 PolarHBondContact O-N 2.81Å; K16-E67 WeakPolarHBondContact CD-OE1 3.29Å; K16-E67 WeakPolarHBondContact CE-OE1 3.47Å; K16-E67 IonicContact NZ-OE1 2.71Å; K16-E67 PolarHBondContact NZ-OE1 3.35Å
17E94.4Very high93.6Very high35 Ų3556 Ų5616%0.16427%0.267CS..Hα-helixtrans-74.7-41.1177.5-165.6-171.1114.800111.2C13 P14 E15 L20 R21 K51 Y52C13-E17 PolarHBondContact SG-OE1 3.13Å; C13-E17 VanDerWaalsContact SG-OE1 3.38Å; P14-E17 WeakPolarHBondContact O-CA 3.41Å; P14-E17 WeakPolarHBondContact O-CB 3.35Å; P14-E17 PolarHBondContact O-N 3.1Å; E15-E17 PolarHBondContact O-N 2.58Å; E17-L20 PolarHBondContact O-N 2.9Å; E17-R21 HydrophobicContact CG-CG 4.13Å; E17-R21 WeakPolarHBondContact O-CB 3.5Å; E17-R21 WeakPolarHBondContact O-CG 3.38Å; E17-R21 PolarHBondContact O-N 2.96Å; E17-R21 IonicContact OE1-NH1 3.12Å; E17-K51 VanDerWaalsContact OE1-CA 3.29Å; E17-K51 WeakPolarHBondContact OE1-CA 3.33Å; E17-K51 WeakPolarHBondContact OE2-CG 3.38Å; E17-Y52 PolarHBondContact OE1-N 3.1Å
18R95Very high93.7Very high3 Ų356.8 Ų56.81%0.01127%0.272CS..Hα-helixtrans-55.9-53.4174.6-59.4-169.5-53.2-107.59.9111.3D11 C13 P14 E15 L20 R21 E22 L44 A49 A347D11-R18 IonicContact OD2-CZ 2.65Å; D11-R18 IonicContact OD2-NH1 3.67Å; D11-R18 PolarHBondContact OD2-NH1 2.97Å; D11-R18 IonicContact OD2-NH2 3.04Å; C13-R18 HydrophobicContact CB-CG 3.78Å; C13-R18 PolarHBondContact O-NH1 3.18Å; C13-R18 VanDerWaalsContact SG-CG 3.59Å; P14-R18 PolarHBondContact O-N 3.2Å; E15-R18 WeakPolarHBondContact O-CB 3.41Å; E15-R18 PolarHBondContact O-N 3.41Å; R18-L20 PolarHBondContact O-N 2.78Å; R18-R21 PolarHBondContact O-N 3.3Å; R18-R21 VanDerWaalsContact O-N 3.14Å; R18-E22 PolarHBondContact O-N 2.81Å; R18-L44 HydrophobicContact CB-CD2 4.23Å; R18-L44 WeakPolarHBondContact O-CD2 3.18Å; R18-A49 HydrophobicContact CG-CB 4.05Å; R18-A347 PolarHBondContact NH2-O 2.86Å
19C92.1Very high93.9Very high45 Ų4554.4 Ų54.430%0.30426%0.263SS..Hα-helixtrans-63.6-41.9-178.5-58.40000112.5E15 R21 L23E15-C19 PolarHBondContact O-N 2.83Å; E15-C19 PolarHBondContact O-SG 3.06Å; E15-C19 VanDerWaalsContact O-SG 3.38Å; C19-R21 VanDerWaalsContact C-N 3.32Å; C19-R21 PolarHBondContact O-N 2.76Å; C19-L23 WeakPolarHBondContact O-CB 3.33Å; C19-L23 PolarHBondContact O-N 2.77Å
20L92.5Very high94Very high89 Ų8954.7 Ų54.747%0.46626%0.263SS..Hα-helixtrans-64.6-36.8174.5-75.4171.8000112.1K16 E17 R18 N24K16-L20 HydrophobicContact CG-CD1 4.11Å; K16-L20 WeakPolarHBondContact O-CB 3.44Å; K16-L20 WeakPolarHBondContact O-CD1 3.39Å; K16-L20 WeakPolarHBondContact O-CG 3.38Å; K16-L20 PolarHBondContact O-N 2.81Å; E17-L20 PolarHBondContact O-N 2.9Å; R18-L20 PolarHBondContact O-N 2.78Å; L20-N24 WeakPolarHBondContact O-CB 3.4Å; L20-N24 PolarHBondContact O-N 3.25Å; L20-N24 PolarHBondContact O-ND2 2.76Å
21R93.9Very high94.1Very high10 Ų1051.1 Ų51.14%0.03824%0.244CC..Hα-helixtrans-73.6-37.7179.5-75.9-179.959.8-161.7-16.6112.6E17 R18 C19 R25 L26 F27 E31 I50E17-R21 HydrophobicContact CG-CG 4.13Å; E17-R21 WeakPolarHBondContact O-CB 3.5Å; E17-R21 WeakPolarHBondContact O-CG 3.38Å; E17-R21 PolarHBondContact O-N 2.96Å; E17-R21 IonicContact OE1-NH1 3.12Å; R18-R21 PolarHBondContact O-N 3.3Å; R18-R21 VanDerWaalsContact O-N 3.14Å; C19-R21 VanDerWaalsContact C-N 3.32Å; C19-R21 PolarHBondContact O-N 2.76Å; R21-R25 CarbonylContact O-C 3.54Å; R21-R25 WeakPolarHBondContact O-CA 3.36Å; R21-R25 PolarHBondContact O-N 3.47Å; R21-L26 HydrophobicContact CB-CB 4.26Å; R21-L26 HydrophobicContact CG-CB 4.18Å; R21-L26 VanDerWaalsContact CZ-O 3.31Å; R21-L26 PolarHBondContact NE-O 3.23Å; R21-L26 PolarHBondContact NH2-O 3.03Å; R21-L26 PolarHBondContact O-N 3.35Å; R21-F27 VanDerWaalsContact NH2-CA 3.35Å; R21-F27 VanDerWaalsContact NH2-CB 3.31Å; R21-E31 IonicContact CZ-OE1 3.69Å; R21-E31 IonicContact CZ-OE2 3.13Å; R21-E31 IonicContact NH1-OE1 2.77Å; R21-E31 PolarHBondContact NH1-OE1 3.24Å; R21-E31 IonicContact NH1-OE2 3.76Å; R21-E31 IonicContact NH2-OE1 2.73Å; R21-E31 PolarHBondContact NH2-OE1 2.9Å; R21-E31 IonicContact NH2-OE2 2.68Å; R21-E31 PolarHBondContact NH2-OE2 3.12Å; R21-I50 PolarHBondContact NH1-O 3.27Å
22E92.3Very high94Very high77 Ų7750.2 Ų50.236%0.3624%0.239SC..Hα-helixtrans-63.1-51.7173-175.8168.3-136.300111.1R18 N24 R25 L44 H46R18-E22 PolarHBondContact O-N 2.81Å; E22-N24 VanDerWaalsContact C-N 3.29Å; E22-N24 PolarHBondContact O-N 2.86Å; E22-R25 PolarHBondContact O-N 2.97Å; E22-L44 HydrophobicContact CB-CB 4.11Å; E22-L44 HydrophobicContact CB-CD2 3.92Å; E22-L44 HydrophobicContact CG-CB 4.15Å; E22-H46 IonicContact OE2-CE1 2.88Å; E22-H46 IonicContact OE2-NE2 3.41Å; E22-H46 PolarHBondContact OE2-NE2 3.15Å
23L92Very high93.9Very high138 Ų13851.6 Ų51.672%0.72325%0.246SC*.Hα-helixtrans-54.2-42.4178.818065.2000112.8C19C19-L23 WeakPolarHBondContact O-CB 3.33Å; C19-L23 PolarHBondContact O-N 2.77Å
24N92.8Very high93.7Very high54 Ų5455.4 Ų55.429%0.28926%0.264SS..THydrogen-bonded Turntrans-88-0.5179-69.5-86.6000113.6L20 E22 L26 Q451L20-N24 WeakPolarHBondContact O-CB 3.4Å; L20-N24 PolarHBondContact O-N 3.25Å; L20-N24 PolarHBondContact O-ND2 2.76Å; E22-N24 VanDerWaalsContact C-N 3.29Å; E22-N24 PolarHBondContact O-N 2.86Å; N24-L26 HydrophobicContact CB-CD1 4.02Å; N24-L26 HydrophobicContact CB-CG 4.01Å; N24-L26 PolarHBondContact O-N 2.97Å; N24-Q451 PolarHBondContact O-OE1 2.98Å
25R90.7Very high93.7Very high184 Ų18456.2 Ų56.269%0.69427%0.267SS*.THydrogen-bonded Turntrans53.235.9-172-61.4-179.9174.5150.72.2113.9R21 E22 F27R21-R25 CarbonylContact O-C 3.54Å; R21-R25 WeakPolarHBondContact O-CA 3.36Å; R21-R25 PolarHBondContact O-N 3.47Å; E22-R25 PolarHBondContact O-N 2.97Å; R25-F27 HydrophobicContact CB-CE1 4.43Å; R25-F27 PolarHBondContact O-N 3.01Å
26L91.7Very high93.5Very high60 Ų6058.3 Ų58.331%0.31428%0.279SS..  trans-87.374176.2-78.6174.7000111.6R21 N24R21-L26 HydrophobicContact CB-CB 4.26Å; R21-L26 HydrophobicContact CG-CB 4.18Å; R21-L26 VanDerWaalsContact CZ-O 3.31Å; R21-L26 PolarHBondContact NE-O 3.23Å; R21-L26 PolarHBondContact NH2-O 3.03Å; R21-L26 PolarHBondContact O-N 3.35Å; N24-L26 HydrophobicContact CB-CD1 4.02Å; N24-L26 HydrophobicContact CB-CG 4.01Å; N24-L26 PolarHBondContact O-N 2.97Å
27F94.3Very high93.4Very high41 Ų4157.7 Ų57.718%0.1828%0.277CS..  trans-148.4154.7172.250.5-90000113.6R21 R25 E31 L41 T43 L44R21-F27 VanDerWaalsContact NH2-CA 3.35Å; R21-F27 VanDerWaalsContact NH2-CB 3.31Å; R25-F27 HydrophobicContact CB-CE1 4.43Å; R25-F27 PolarHBondContact O-N 3.01Å; F27-E31 HydrophobicContact CB-CB 4.18Å; F27-L41 WeakPolarHBondContact CE2-O 3.39Å; F27-T43 VanDerWaalsContact CZ-C 3.49Å; F27-L44 HydrophobicContact CB-CD1 3.76Å; F27-L44 HydrophobicContact CD1-CB 4.04Å; F27-L44 HydrophobicContact CD1-CD1 4.07Å; F27-L44 HydrophobicContact CD2-CD1 4.42Å; F27-L44 HydrophobicContact CE1-CB 3.98Å; F27-L44 HydrophobicContact CG-CB 4.44Å; F27-L44 HydrophobicContact CG-CD1 3.86Å; F27-L44 HydrophobicContact CZ-CB 4.34Å
28A94.5Very high93Very high27 Ų2759 Ų5922%0.22330%0.3CS..  trans-83.5162.8176.100000110.7Y30 E31 S32 F102A28-Y30 HydrophobicContact CB-CD2 4.48Å; A28-Y30 PolarHBondContact O-N 2.78Å; A28-E31 PolarHBondContact N-OE2 3.06Å; A28-E31 PolarHBondContact O-N 2.95Å; A28-S32 PolarHBondContact O-N 2.89Å; A28-F102 HydrophobicContact CB-CD2 3.44Å; A28-F102 VanDerWaalsContact CB-CD2 3.44Å; A28-F102 HydrophobicContact CB-CE2 3.75Å; A28-F102 HydrophobicContact CB-CG 4.4Å
29Y95.3Very high92.8Very high106 Ų10660.3 Ų60.342%0.41632%0.315SS..G310 helixtrans-46.1-47.6170.3169.8-109.4000112.1E31 S32 Q34 F35 L41Y29-E31 PolarHBondContact O-N 3.43Å; Y29-S32 WeakPolarHBondContact O-CB 3.4Å; Y29-S32 PolarHBondContact O-N 3.45Å; Y29-S32 PolarHBondContact O-OG 3.01Å; Y29-Q34 HydrophobicContact CE2-CB 4.38Å; Y29-Q34 HydrophobicContact CE2-CG 4.14Å; Y29-F35 HydrophobicContact CD1-CD2 4.21Å; Y29-F35 HydrophobicContact CE1-CB 4.32Å; Y29-F35 AromaticContact CE1-CD2 3.51Å; Y29-F35 HydrophobicContact CE1-CD2 3.51Å; Y29-F35 HydrophobicContact CE1-CE2 4.26Å; Y29-F35 HydrophobicContact CE1-CG 4.25Å; Y29-F35 AromaticContact CZ-CD2 3.97Å; Y29-F35 WeakPolarHBondContact O-CB 3.44Å; Y29-L41 HydrophobicContact CD2-CD1 3.81Å
30Y97Very high92.8Very high17 Ų1762.2 Ų62.27%0.06732%0.322CS..G310 helixtrans-63.9-6.4-179.8-51.3-70.4000115.4A28 F35 F80 V85 W99 F102A28-Y30 HydrophobicContact CB-CD2 4.48Å; A28-Y30 PolarHBondContact O-N 2.78Å; Y30-F35 HydrophobicContact CD1-CD1 4.39Å; Y30-F35 HydrophobicContact CD1-CD2 4.03Å; Y30-F35 HydrophobicContact CD1-CE1 4.15Å; Y30-F35 AromaticContact CD1-CE2 3.75Å; Y30-F35 HydrophobicContact CD1-CE2 3.75Å; Y30-F35 HydrophobicContact CD1-CG 4.36Å; Y30-F35 AromaticContact CD1-CZ 3.82Å; Y30-F35 HydrophobicContact CD1-CZ 3.82Å; Y30-F35 HydrophobicContact CE1-CE2 4.22Å; Y30-F35 WeakPolarHBondContact O-CD1 3.29Å; Y30-F80 WeakPolarHBondContact O-CZ 3.28Å; Y30-V85 HydrophobicContact CD1-CG1 3.67Å; Y30-V85 HydrophobicContact CD2-CG1 4.27Å; Y30-V85 HydrophobicContact CE1-CG1 4.07Å; Y30-V85 HydrophobicContact CG-CG1 3.78Å; Y30-W99 WeakPolarHBondContact OH-CB 3.33Å; Y30-F102 HydrophobicContact CD2-CB 3.86Å; Y30-F102 AromaticContact CD2-CD1 3.7Å; Y30-F102 HydrophobicContact CD2-CD1 3.7Å; Y30-F102 HydrophobicContact CD2-CD2 4.14Å; Y30-F102 HydrophobicContact CD2-CE1 4.28Å; Y30-F102 AromaticContact CD2-CG 3.6Å; Y30-F102 HydrophobicContact CD2-CG 3.6Å; Y30-F102 HydrophobicContact CE2-CB 4.1Å; Y30-F102 HydrophobicContact CE2-CD1 4.5Å; Y30-F102 HydrophobicContact CE2-CG 4.33Å; Y30-F102 HydrophobicContact CG-CD1 4.09Å; Y30-F102 HydrophobicContact CG-CE1 4.26Å; Y30-F102 HydrophobicContact CG-CG 4.38Å
31E97Very high92.7Very high0 Ų061.8 Ų61.80%032%0.32CS..G310 helixtrans-1164.7175.9-61.4164.4127.200111.6R21 F27 A28 Y29 L44 D45 I50 F102 R106R21-E31 IonicContact CZ-OE1 3.69Å; R21-E31 IonicContact CZ-OE2 3.13Å; R21-E31 IonicContact NH1-OE1 2.77Å; R21-E31 PolarHBondContact NH1-OE1 3.24Å; R21-E31 IonicContact NH1-OE2 3.76Å; R21-E31 IonicContact NH2-OE1 2.73Å; R21-E31 PolarHBondContact NH2-OE1 2.9Å; R21-E31 IonicContact NH2-OE2 2.68Å; R21-E31 PolarHBondContact NH2-OE2 3.12Å; F27-E31 HydrophobicContact CB-CB 4.18Å; A28-E31 PolarHBondContact N-OE2 3.06Å; A28-E31 PolarHBondContact O-N 2.95Å; Y29-E31 PolarHBondContact O-N 3.43Å; E31-L44 HydrophobicContact CB-CD1 4.12Å; E31-L44 WeakPolarHBondContact O-CD1 3.36Å; E31-D45 PolarHBondContact O-N 3.26Å; E31-I50 PolarHBondContact OE1-N 3.08Å; E31-I50 VanDerWaalsContact OE1-N 3.14Å; E31-F102 HydrophobicContact CG-CE2 3.71Å; E31-F102 HydrophobicContact CG-CZ 3.83Å; E31-R106 VanDerWaalsContact CD-NH2 3.33Å; E31-R106 IonicContact OE1-CZ 3.27Å; E31-R106 IonicContact OE1-NE 2.71Å; E31-R106 PolarHBondContact OE1-NE 3.4Å; E31-R106 IonicContact OE1-NH2 3.53Å; E31-R106 PolarHBondContact OE1-NH2 2.94Å; E31-R106 IonicContact OE2-CZ 3.98Å; E31-R106 IonicContact OE2-NE 3.32Å; E31-R106 IonicContact OE2-NH2 3.49Å; E31-R106 PolarHBondContact OE2-NH2 2.91Å
32S95.8Very high92.6Very high0 Ų068.2 Ų68.20%035%0.348CS..BIsolated β-bridgetrans-93.7155.3178.269.80000112A28 Y29 Q34 F35 T43A28-S32 PolarHBondContact O-N 2.89Å; Y29-S32 WeakPolarHBondContact O-CB 3.4Å; Y29-S32 PolarHBondContact O-N 3.45Å; Y29-S32 PolarHBondContact O-OG 3.01Å; S32-Q34 PolarHBondContact O-N 3.15Å; S32-Q34 VanDerWaalsContact O-N 3.07Å; S32-F35 PolarHBondContact O-N 3.49Å; S32-T43 WeakPolarHBondContact CA-O 3.34Å
33L93.3Very high92.6Very high43 Ų4366.8 Ų66.823%0.22535%0.345CS..Hα-helixtrans-56.3-25.9174.7-68.7177.1000112.5F35 Q37 G38 G39 T43 D45L33-F35 VanDerWaalsContact C-N 3.31Å; L33-F35 PolarHBondContact O-N 2.88Å; L33-Q37 CarbonylContact O-C 3.55Å; L33-Q37 WeakPolarHBondContact O-CA 3.16Å; L33-Q37 VanDerWaalsContact O-CB 3.3Å; L33-Q37 WeakPolarHBondContact O-CB 3.39Å; L33-Q37 PolarHBondContact O-N 3.3Å; L33-Q37 VanDerWaalsContact O-N 3.16Å; L33-G38 PolarHBondContact O-N 3.37Å; L33-G39 PolarHBondContact O-N 3.3Å; L33-G39 VanDerWaalsContact O-N 3.13Å; L33-T43 HydrophobicContact CD1-CG2 3.53Å; L33-T43 HydrophobicContact CG-CG2 4.12Å; L33-T43 PolarHBondContact N-O 2.83Å; L33-D45 HydrophobicContact CD2-CB 3.81Å; L33-D45 HydrophobicContact CG-CB 4.34Å
34Q94Very high92.7Very high81 Ų8160.5 Ų60.538%0.37931%0.312SS..Hα-helixtrans-62.6-33.2177-170.3166.174.200113.6Y29 S32 L36 G38 G39 D40 L41Y29-Q34 HydrophobicContact CE2-CB 4.38Å; Y29-Q34 HydrophobicContact CE2-CG 4.14Å; S32-Q34 PolarHBondContact O-N 3.15Å; S32-Q34 VanDerWaalsContact O-N 3.07Å; Q34-L36 PolarHBondContact O-N 2.93Å; Q34-G38 PolarHBondContact O-N 2.6Å; Q34-G39 WeakPolarHBondContact CA-O 3.39Å; Q34-G39 VanDerWaalsContact CB-O 3.31Å; Q34-G39 WeakPolarHBondContact CB-O 3.48Å; Q34-D40 PolarHBondContact N-O 2.76Å; Q34-L41 HydrophobicContact CB-CB 4.35Å
35F93.9Very high92.9Very high23 Ų2358.1 Ų58.110%0.10130%0.299CS..Hα-helixtrans-64.8-45.2-166.9172.4-133.9000114Y29 Y30 S32 L33 L48 F80 V85 T88Y29-F35 HydrophobicContact CD1-CD2 4.21Å; Y29-F35 HydrophobicContact CE1-CB 4.32Å; Y29-F35 AromaticContact CE1-CD2 3.51Å; Y29-F35 HydrophobicContact CE1-CD2 3.51Å; Y29-F35 HydrophobicContact CE1-CE2 4.26Å; Y29-F35 HydrophobicContact CE1-CG 4.25Å; Y29-F35 AromaticContact CZ-CD2 3.97Å; Y29-F35 WeakPolarHBondContact O-CB 3.44Å; Y30-F35 HydrophobicContact CD1-CD1 4.39Å; Y30-F35 HydrophobicContact CD1-CD2 4.03Å; Y30-F35 HydrophobicContact CD1-CE1 4.15Å; Y30-F35 AromaticContact CD1-CE2 3.75Å; Y30-F35 HydrophobicContact CD1-CE2 3.75Å; Y30-F35 HydrophobicContact CD1-CG 4.36Å; Y30-F35 AromaticContact CD1-CZ 3.82Å; Y30-F35 HydrophobicContact CD1-CZ 3.82Å; Y30-F35 HydrophobicContact CE1-CE2 4.22Å; Y30-F35 WeakPolarHBondContact O-CD1 3.29Å; S32-F35 PolarHBondContact O-N 3.49Å; L33-F35 VanDerWaalsContact C-N 3.31Å; L33-F35 PolarHBondContact O-N 2.88Å; F35-L48 HydrophobicContact CD1-CD1 4.24Å; F35-F80 HydrophobicContact CD1-CZ 4.31Å; F35-F80 HydrophobicContact CE1-CE2 4.05Å; F35-F80 AromaticContact CE1-CZ 3.99Å; F35-F80 HydrophobicContact CE1-CZ 3.99Å; F35-V85 HydrophobicContact CE1-CG2 3.9Å; F35-V85 HydrophobicContact CZ-CG2 4.22Å; F35-T88 HydrophobicContact CE2-CG2 4.04Å; F35-T88 HydrophobicContact CZ-CG2 4.04Å
36L91Very high93.1Very high75 Ų7552 Ų5239%0.39328%0.278SS..Hα-helixtrans-118.3-24.2180-62.1-177.4000113.9Q34 L48 F80 W339Q34-L36 PolarHBondContact O-N 2.93Å; L36-L48 HydrophobicContact CB-CD1 4.44Å; L36-L48 HydrophobicContact CD1-CD1 4.2Å; L36-L48 HydrophobicContact CD1-CD2 3.92Å; L36-L48 HydrophobicContact CG-CD1 4.28Å; L36-F80 HydrophobicContact CD1-CE2 4.38Å; L36-W339 HydrophobicContact CD1-CE3 4.25Å; L36-W339 HydrophobicContact CD1-CH2 4.17Å; L36-W339 HydrophobicContact CD1-CZ3 3.49Å; L36-W339 VanDerWaalsContact CD1-CZ3 3.49Å
37Q87.2Confident93.2Very high103 Ų10349.8 Ų49.848%0.48127%0.268SS..Hα-helixtrans-99.5-10.4-178.8-43.7-170.723.200113.4L33 G39 D45 Y341L33-Q37 CarbonylContact O-C 3.55Å; L33-Q37 WeakPolarHBondContact O-CA 3.16Å; L33-Q37 VanDerWaalsContact O-CB 3.3Å; L33-Q37 WeakPolarHBondContact O-CB 3.39Å; L33-Q37 PolarHBondContact O-N 3.3Å; L33-Q37 VanDerWaalsContact O-N 3.16Å; Q37-G39 PolarHBondContact O-N 3.36Å; Q37-D45 PolarHBondContact NE2-OD2 2.96Å; Q37-Y341 PolarHBondContact NE2-OH 3.15Å
38G87.6Confident93.3Very high62 Ų6247.9 Ų47.964%0.63926%0.26SS*.  trans69.114.6-17400000114.6L33 Q34L33-G38 PolarHBondContact O-N 3.37Å; Q34-G38 PolarHBondContact O-N 2.6Å
39G90.9Very high93.4Very high32 Ų3246.6 Ų46.633%0.3325%0.249SC..  trans-75.9-159.5178.200000114.3L33 Q34 Q37L33-G39 PolarHBondContact O-N 3.3Å; L33-G39 VanDerWaalsContact O-N 3.13Å; Q34-G39 WeakPolarHBondContact CA-O 3.39Å; Q34-G39 VanDerWaalsContact CB-O 3.31Å; Q34-G39 WeakPolarHBondContact CB-O 3.48Å; Q37-G39 PolarHBondContact O-N 3.36Å
40D91.3Very high93.5Very high84 Ų8441.6 Ų41.645%0.44923%0.23SC..  trans-68.7136.7178.6-168.20000111.6Q34 K42Q34-D40 PolarHBondContact N-O 2.76Å; D40-K42 PolarHBondContact O-N 3.09Å; D40-K42 PolarHBondContact OD1-N 3.41Å
41L91.3Very high93.5Very high81 Ų8142 Ų4242%0.42423%0.232SC..THydrogen-bonded Turntrans-66.7-22.5170.2-17958.3000112.2F27 Y29 Q34F27-L41 WeakPolarHBondContact CE2-O 3.39Å; Y29-L41 HydrophobicContact CD2-CD1 3.81Å; Q34-L41 HydrophobicContact CB-CB 4.35Å
42K90.1Very high93.4Very high144 Ų14447 Ų4763%0.62625%0.251SS*.THydrogen-bonded Turntrans-95.39.2-177.4-56.8174.2-175.4167.80114.5D40D40-K42 PolarHBondContact O-N 3.09Å; D40-K42 PolarHBondContact OD1-N 3.41Å
43T93.4Very high93.3Very high48 Ų4849 Ų4929%0.29426%0.259SS..SBendtrans-116.8136.3174.6-54.30000110.5F27 S32 L33F27-T43 VanDerWaalsContact CZ-C 3.49Å; S32-T43 WeakPolarHBondContact CA-O 3.34Å; L33-T43 HydrophobicContact CD1-CG2 3.53Å; L33-T43 HydrophobicContact CG-CG2 4.12Å; L33-T43 PolarHBondContact N-O 2.83Å
44L94.7Very high93Very high5 Ų549.9 Ų49.93%0.02627%0.266CS..BIsolated β-bridgetrans-74.5126176179.962.4000109.2R18 E22 F27 E31 H46 A49R18-L44 HydrophobicContact CB-CD2 4.23Å; R18-L44 WeakPolarHBondContact O-CD2 3.18Å; E22-L44 HydrophobicContact CB-CB 4.11Å; E22-L44 HydrophobicContact CB-CD2 3.92Å; E22-L44 HydrophobicContact CG-CB 4.15Å; F27-L44 HydrophobicContact CB-CD1 3.76Å; F27-L44 HydrophobicContact CD1-CB 4.04Å; F27-L44 HydrophobicContact CD1-CD1 4.07Å; F27-L44 HydrophobicContact CD2-CD1 4.42Å; F27-L44 HydrophobicContact CE1-CB 3.98Å; F27-L44 HydrophobicContact CG-CB 4.44Å; F27-L44 HydrophobicContact CG-CD1 3.86Å; F27-L44 HydrophobicContact CZ-CB 4.34Å; E31-L44 HydrophobicContact CB-CD1 4.12Å; E31-L44 WeakPolarHBondContact O-CD1 3.36Å; L44-H46 PolarHBondContact O-N 3.43Å; L44-A49 HydrophobicContact CD1-CB 3.96Å; L44-A49 HydrophobicContact CD2-CB 4.37Å; L44-A49 HydrophobicContact CG-CB 4.37Å
45D95.1Very high92.5Very high4 Ų455.3 Ų55.32%0.02128%0.283CS..  trans-81106.6163.5-170-27.9000108.3E31 L33 Q37 C47 L48 A49 Y341E31-D45 PolarHBondContact O-N 3.26Å; L33-D45 HydrophobicContact CD2-CB 3.81Å; L33-D45 HydrophobicContact CG-CB 4.34Å; Q37-D45 PolarHBondContact NE2-OD2 2.96Å; D45-C47 PolarHBondContact O-N 2.83Å; D45-C47 WeakPolarHBondContact OD1-CA 3.46Å; D45-C47 VanDerWaalsContact OD1-CB 3.27Å; D45-C47 WeakPolarHBondContact OD1-CB 3.33Å; D45-C47 PolarHBondContact OD1-N 2.97Å; D45-L48 HydrophobicContact CB-CB 4.02Å; D45-L48 HydrophobicContact CB-CD1 3.85Å; D45-L48 HydrophobicContact CB-CG 3.84Å; D45-L48 VanDerWaalsContact CG-CG 3.5Å; D45-L48 PolarHBondContact O-N 3.11Å; D45-L48 WeakPolarHBondContact OD2-CD1 3.44Å; D45-L48 WeakPolarHBondContact OD2-CG 3.44Å; D45-A49 PolarHBondContact O-N 3.31Å; D45-Y341 PolarHBondContact OD1-OH 3.16Å; D45-Y341 PolarHBondContact OD2-OH 2.85Å
46H94.9Very high91.5Very high55 Ų5558.3 Ų58.326%0.25531%0.307SS..THydrogen-bonded Turntrans-60.8-30179.6-80.1-143.1000112.1E22 L44 L48 P346E22-H46 IonicContact OE2-CE1 2.88Å; E22-H46 IonicContact OE2-NE2 3.41Å; E22-H46 PolarHBondContact OE2-NE2 3.15Å; L44-H46 PolarHBondContact O-N 3.43Å; H46-L48 VanDerWaalsContact C-N 3.26Å; H46-L48 PolarHBondContact O-N 3.49Å; H46-P346 HydrophobicContact CB-CG 4.15Å; H46-P346 VanDerWaalsContact O-CG 3.3Å; H46-P346 WeakPolarHBondContact O-CG 3.48Å
47C95.2Very high90.4Very high15 Ų1557.8 Ų57.810%0.10131%0.314CS..THydrogen-bonded Turntrans-73.2-15.8176-64.20000113.2M12 D45 Y341 P342 P346M12-C47 WeakPolarHBondContact CE-O 3.35Å; D45-C47 PolarHBondContact O-N 2.83Å; D45-C47 WeakPolarHBondContact OD1-CA 3.46Å; D45-C47 VanDerWaalsContact OD1-CB 3.27Å; D45-C47 WeakPolarHBondContact OD1-CB 3.33Å; D45-C47 PolarHBondContact OD1-N 2.97Å; C47-Y341 HydrophobicContact CB-CE1 4.28Å; C47-Y341 HydrophobicContact CB-CE2 3.85Å; C47-Y341 VanDerWaalsContact CB-OH 3.24Å; C47-Y341 WeakPolarHBondContact CB-OH 3.27Å; C47-Y341 PolarHBondContact SG-OH 2.87Å; C47-P342 HydrophobicContact CB-CG 4.27Å; C47-P346 WeakPolarHBondContact SG-CD 3.48Å
48L96.2Very high88.9Confident0 Ų058.8 Ų58.80%034%0.34CS..THydrogen-bonded Turntrans-108.4-17.1178.4-52.3-179.8000113F35 L36 D45 H46 I50 F80 W339 Y341F35-L48 HydrophobicContact CD1-CD1 4.24Å; L36-L48 HydrophobicContact CB-CD1 4.44Å; L36-L48 HydrophobicContact CD1-CD1 4.2Å; L36-L48 HydrophobicContact CD1-CD2 3.92Å; L36-L48 HydrophobicContact CG-CD1 4.28Å; D45-L48 HydrophobicContact CB-CB 4.02Å; D45-L48 HydrophobicContact CB-CD1 3.85Å; D45-L48 HydrophobicContact CB-CG 3.84Å; D45-L48 VanDerWaalsContact CG-CG 3.5Å; D45-L48 PolarHBondContact O-N 3.11Å; D45-L48 WeakPolarHBondContact OD2-CD1 3.44Å; D45-L48 WeakPolarHBondContact OD2-CG 3.44Å; H46-L48 VanDerWaalsContact C-N 3.26Å; H46-L48 PolarHBondContact O-N 3.49Å; L48-I50 WeakPolarHBondContact O-CG1 3.37Å; L48-I50 PolarHBondContact O-N 2.85Å; L48-I50 VanDerWaalsContact O-N 3.16Å; L48-F80 HydrophobicContact CB-CE1 3.93Å; L48-F80 HydrophobicContact CB-CZ 3.86Å; L48-F80 HydrophobicContact CD1-CZ 4.5Å; L48-F80 HydrophobicContact CD2-CD2 4.37Å; L48-F80 HydrophobicContact CD2-CE1 4.37Å; L48-F80 HydrophobicContact CD2-CE2 3.75Å; L48-F80 HydrophobicContact CD2-CZ 3.77Å; L48-F80 HydrophobicContact CG-CZ 4.23Å; L48-F80 WeakPolarHBondContact O-CE1 3.35Å; L48-W339 HydrophobicContact CD2-CH2 3.46Å; L48-W339 VanDerWaalsContact CD2-CH2 3.46Å; L48-W339 HydrophobicContact CD2-CZ2 4.21Å; L48-W339 HydrophobicContact CD2-CZ3 4.21Å; L48-Y341 HydrophobicContact CD2-CD2 4.08Å; L48-Y341 HydrophobicContact CD2-CE2 3.99Å; L48-Y341 HydrophobicContact CG-CE2 4.31Å
49A96.8Very high87.6Confident1 Ų160.7 Ų60.71%0.00835%0.35CS..  trans-54.2118.7178.900000112.2M12 C13 R18 L44 D45M12-A49 CarbonylContact C-O 3.52Å; M12-A49 WeakPolarHBondContact CB-O 3.43Å; C13-A49 HydrophobicContact CB-CB 4.02Å; C13-A49 WeakPolarHBondContact CB-O 3.46Å; C13-A49 PolarHBondContact N-O 2.97Å; R18-A49 HydrophobicContact CG-CB 4.05Å; L44-A49 HydrophobicContact CD1-CB 3.96Å; L44-A49 HydrophobicContact CD2-CB 4.37Å; L44-A49 HydrophobicContact CG-CB 4.37Å; D45-A49 PolarHBondContact O-N 3.31Å
50I97.4Very high86.5Confident0 Ų063.9 Ų63.90%036%0.356CS..  trans-108.2136.5173.9-48.7179.9000109.6M12 R21 E31 L48 Y52 R69 A77 F80 L81 F102 R106M12-I50 HydrophobicContact CE-CG1 4.47Å; M12-I50 WeakPolarHBondContact O-CA 3.36Å; R21-I50 PolarHBondContact NH1-O 3.27Å; E31-I50 PolarHBondContact OE1-N 3.08Å; E31-I50 VanDerWaalsContact OE1-N 3.14Å; L48-I50 WeakPolarHBondContact O-CG1 3.37Å; L48-I50 PolarHBondContact O-N 2.85Å; L48-I50 VanDerWaalsContact O-N 3.16Å; I50-Y52 PolarHBondContact O-N 2.71Å; I50-R69 VanDerWaalsContact CG2-NH1 3.26Å; I50-A77 HydrophobicContact CG2-CB 4.14Å; I50-F80 HydrophobicContact CD1-CD1 3.52Å; I50-F80 HydrophobicContact CD1-CE1 3.95Å; I50-F80 HydrophobicContact CG1-CD1 3.69Å; I50-F80 HydrophobicContact CG1-CE1 4.04Å; I50-L81 HydrophobicContact CD1-CB 4.09Å; I50-L81 HydrophobicContact CD1-CD1 3.82Å; I50-L81 HydrophobicContact CD1-CG 4.48Å; I50-F102 HydrophobicContact CD1-CE1 4.29Å; I50-F102 HydrophobicContact CD1-CZ 4.03Å; I50-R106 HydrophobicContact CB-CB 4.33Å; I50-R106 HydrophobicContact CB-CG 4.05Å; I50-R106 HydrophobicContact CD1-CB 4.3Å; I50-R106 HydrophobicContact CD1-CG 4.34Å; I50-R106 HydrophobicContact CG2-CB 3.96Å; I50-R106 HydrophobicContact CG2-CG 4.2Å; I50-R106 WeakPolarHBondContact O-CD 2.99Å; I50-R106 PolarHBondContact O-NE 3.17Å
51K96.9Very high85.6Confident25 Ų2564.5 Ų64.511%0.10937%0.367CS..  trans-47127.5176.2-162-177.4172.8169.20113.2M12 P14 E17 E67 R106 A109 E113M12-K51 PolarHBondContact O-N 3.11Å; P14-K51 HydrophobicContact CG-CD 4.33Å; E17-K51 VanDerWaalsContact OE1-CA 3.29Å; E17-K51 WeakPolarHBondContact OE1-CA 3.33Å; E17-K51 WeakPolarHBondContact OE2-CG 3.38Å; K51-E67 PolarHBondContact NZ-O 3.25Å; K51-R106 WeakPolarHBondContact O-CD 2.92Å; K51-A109 WeakPolarHBondContact O-CB 3.44Å; K51-E113 VanDerWaalsContact CD-OE1 3.31Å; K51-E113 WeakPolarHBondContact CD-OE1 3.3Å; K51-E113 IonicContact NZ-OE1 3.84Å; K51-E113 PolarHBondContact NZ-OE1 3.49Å
52Y93.7Very high85Confident105 Ų10565.4 Ų65.441%0.41238%0.38SS..  trans-82.1145.3-175.2-173.6-82.3000112.5E17 I50 T54E17-Y52 PolarHBondContact OE1-N 3.1Å; I50-Y52 PolarHBondContact O-N 2.71Å; Y52-T54 PolarHBondContact O-N 3.11Å
53Y93.8Very high84.7Confident42 Ų4260.2 Ų60.217%0.16536%0.361CS..  trans-75.392.7176.3174.5-103000112.6R55 D105 R108 K112Y53-R55 HydrophobicContact CE1-CG 3.78Å; Y53-D105 WeakPolarHBondContact CB-OD1 3.25Å; Y53-D105 PolarHBondContact N-OD2 3.34Å; Y53-R108 HydrophobicContact CD1-CG 4.31Å; Y53-R108 HydrophobicContact CD2-CB 4.17Å; Y53-R108 HydrophobicContact CD2-CG 3.69Å; Y53-R108 HydrophobicContact CE1-CG 4.42Å; Y53-R108 HydrophobicContact CE2-CG 3.81Å; Y53-R108 HydrophobicContact CG-CB 4.18Å; Y53-R108 HydrophobicContact CG-CG 3.97Å; Y53-K112 HydrophobicContact CD2-CB 4.39Å; Y53-K112 HydrophobicContact CD2-CD 4.29Å; Y53-K112 HydrophobicContact CE2-CB 4.32Å; Y53-K112 HydrophobicContact CE2-CD 4.02Å; Y53-K112 HydrophobicContact CE2-CG 4.36Å
54T88.1Confident84.4Confident62 Ų6262 Ų6238%0.3837%0.368SS..PPolyproline II helixtrans-80.1121.5170-60.30000111Y52 K112Y52-T54 PolarHBondContact O-N 3.11Å; T54-K112 PolarHBondContact O-NZ 3.15Å
55R83Confident84.1Confident195 Ų19564.6 Ų64.674%0.73639%0.385SS*.PPolyproline II helixtrans-64.3135.1169.7-65.7-174.5-174.2-156.73.7109.8Y53 A57Y53-R55 HydrophobicContact CE1-CG 3.78Å; R55-A57 PolarHBondContact O-N 2.67Å
56S74.1Confident83.8Confident86 Ų8668.1 Ų68.160%0.60140%0.402SS*.PPolyproline II helixtrans-70.9116.3177.4-55.90000110.6K112S56-K112 VanDerWaalsContact OG-CE 3.29Å; S56-K112 WeakPolarHBondContact OG-CE 3.42Å; S56-K112 PolarHBondContact OG-NZ 2.71Å
57A68Low83.6Confident65 Ų6567.3 Ų67.354%0.53740%0.398SS..PPolyproline II helixtrans-86150.1168.700000110.4R55 A59 Q60R55-A57 PolarHBondContact O-N 2.67Å; A57-A59 PolarHBondContact O-N 3.09Å; A57-A59 VanDerWaalsContact O-N 3.08Å; A57-Q60 HydrophobicContact CB-CB 4.39Å; A57-Q60 WeakPolarHBondContact O-CB 3.33Å; A57-Q60 PolarHBondContact O-N 3.45Å
58A55.4Low83.5Confident123 Ų12366.7 Ų66.7100%1.01739%0.394SS*.THydrogen-bonded Turntrans-61.7-20.7-175.400000114.7
59A60.6Low83.5Confident103 Ų10366.7 Ų66.785%0.85139%0.394SS*.THydrogen-bonded Turntrans-103.58.1176.600000113.7A57 S61A57-A59 PolarHBondContact O-N 3.09Å; A57-A59 VanDerWaalsContact O-N 3.08Å; A59-S61 PolarHBondContact O-N 3.05Å
60Q66.9Low83.5Confident98 Ų9867.4 Ų67.446%0.45840%0.398SS..PPolyproline II helixtrans-77.4120.7-179.5-165.6169.934.500110.1A57A57-Q60 HydrophobicContact CB-CB 4.39Å; A57-Q60 WeakPolarHBondContact O-CB 3.33Å; A57-Q60 PolarHBondContact O-N 3.45Å
61S71.9Confident83.4Confident98 Ų9871.8 Ų71.869%0.68542%0.419SS*.PPolyproline II helixtrans-55.3146.7173.554.10000111.4A59A59-S61 PolarHBondContact O-N 3.05Å
62S78.5Confident83.4Confident99 Ų9975.1 Ų75.169%0.69244%0.437SS*.PPolyproline II helixtrans-52.1129.6170.1-177.30000109.6
63P84Confident83.5Confident35 Ų3570.1 Ų70.123%0.22742%0.417CS..PPolyproline II helixtrans-60.5147.7178.8-19.930.6000111.3E67 F68P63-E67 VanDerWaalsContact CA-OE2 3.27Å; P63-E67 WeakPolarHBondContact CA-OE2 3.48Å; P63-E67 HydrophobicContact CB-CB 4.12Å; P63-F68 HydrophobicContact CB-CD2 4.24Å; P63-F68 HydrophobicContact CB-CE2 3.68Å; P63-F68 HydrophobicContact CB-CZ 3.86Å; P63-F68 HydrophobicContact CG-CE1 4.49Å; P63-F68 HydrophobicContact CG-CE2 4.1Å; P63-F68 HydrophobicContact CG-CZ 3.79Å
64L87.3Confident83.7Confident85 Ų8568.5 Ų68.545%0.44541%0.411SS..PPolyproline II helixtrans-73.1155.8178.2-62.5176.6000110.8H66 E67 F68L64-H66 PolarHBondContact O-N 2.89Å; L64-H66 VanDerWaalsContact O-N 3.15Å; L64-E67 HydrophobicContact CB-CG 4.16Å; L64-E67 PolarHBondContact N-OE2 3.3Å; L64-E67 WeakPolarHBondContact O-CA 3.26Å; L64-E67 WeakPolarHBondContact O-CB 3.47Å; L64-E67 PolarHBondContact O-N 2.96Å; L64-F68 PolarHBondContact O-N 2.82Å
65P88.6Confident84.1Confident60 Ų6068 Ų6839%0.3941%0.409SS..THydrogen-bonded Turntrans-56.3-31.1179.8-29.537.9000114.9V6 G7 Y8 F68V6-P65 WeakPolarHBondContact O-CA 3.4Å; V6-P65 WeakPolarHBondContact O-CB 3.38Å; G7-P65 WeakPolarHBondContact CA-O 3.38Å; Y8-P65 HydrophobicContact CD2-CB 3.46Å; Y8-P65 VanDerWaalsContact CD2-CB 3.46Å; Y8-P65 HydrophobicContact CE2-CB 3.66Å; Y8-P65 PolarHBondContact N-O 3.24Å; P65-F68 PolarHBondContact O-N 3.4Å
66H88.8Confident84.8Confident79 Ų7963.4 Ų63.437%0.36639%0.394SS..THydrogen-bonded Turntrans-80.9-12.6173.560-122000113.9C9 L64 F68C9-H66 WeakPolarHBondContact CB-O 3.38Å; L64-H66 PolarHBondContact O-N 2.89Å; L64-H66 VanDerWaalsContact O-N 3.15Å; H66-F68 VanDerWaalsContact C-N 3.33Å
67E91.1Very high85.9Confident37 Ų3759.3 Ų59.317%0.17337%0.365CS..THydrogen-bonded Turntrans-82.7-14.8170.7-64-179.9134.400111.3P14 K16 K51 P63 L64P14-E67 VanDerWaalsContact CG-O 3.26Å; P14-E67 WeakPolarHBondContact CG-O 3.36Å; K16-E67 WeakPolarHBondContact CD-OE1 3.29Å; K16-E67 WeakPolarHBondContact CE-OE1 3.47Å; K16-E67 IonicContact NZ-OE1 2.71Å; K16-E67 PolarHBondContact NZ-OE1 3.35Å; K51-E67 PolarHBondContact NZ-O 3.25Å; P63-E67 VanDerWaalsContact CA-OE2 3.27Å; P63-E67 WeakPolarHBondContact CA-OE2 3.48Å; P63-E67 HydrophobicContact CB-CB 4.12Å; L64-E67 HydrophobicContact CB-CG 4.16Å; L64-E67 PolarHBondContact N-OE2 3.3Å; L64-E67 WeakPolarHBondContact O-CA 3.26Å; L64-E67 WeakPolarHBondContact O-CB 3.47Å; L64-E67 PolarHBondContact O-N 2.96Å
68F93.6Very high87.3Confident3 Ų356.9 Ų56.91%0.01334%0.343CS..SBendtrans-91.8136.3171.4-75-69.9000111.7G7 Y8 C9 P63 L64 P65 H66 E113 Q116 L117G7-F68 CarbonylContact C-O 3.55Å; G7-F68 WeakPolarHBondContact CA-O 3.49Å; Y8-F68 PolarHBondContact N-O 2.95Å; C9-F68 WeakPolarHBondContact CB-O 3.47Å; C9-F68 PolarHBondContact N-O 3.14Å; P63-F68 HydrophobicContact CB-CD2 4.24Å; P63-F68 HydrophobicContact CB-CE2 3.68Å; P63-F68 HydrophobicContact CB-CZ 3.86Å; P63-F68 HydrophobicContact CG-CE1 4.49Å; P63-F68 HydrophobicContact CG-CE2 4.1Å; P63-F68 HydrophobicContact CG-CZ 3.79Å; L64-F68 PolarHBondContact O-N 2.82Å; P65-F68 PolarHBondContact O-N 3.4Å; H66-F68 VanDerWaalsContact C-N 3.33Å; F68-E113 HydrophobicContact CD1-CB 4.46Å; F68-E113 HydrophobicContact CD1-CG 4.04Å; F68-E113 HydrophobicContact CE1-CG 4.4Å; F68-Q116 HydrophobicContact CE1-CB 3.62Å; F68-Q116 HydrophobicContact CE1-CG 4.32Å; F68-Q116 HydrophobicContact CZ-CB 3.85Å; F68-Q116 HydrophobicContact CZ-CG 4.49Å; F68-L117 HydrophobicContact CB-CD2 4.1Å; F68-L117 HydrophobicContact CD1-CD2 4.2Å; F68-L117 HydrophobicContact CD1-CG 4.29Å; F68-L117 HydrophobicContact CD2-CD2 4.44Å; F68-L117 HydrophobicContact CG-CD2 4.01Å
69R96.2Very high89.3Confident0 Ų054.6 Ų54.60%031%0.308CS..BIsolated β-bridgetrans-68.4140.4170.8-73.3-179.9-72.1-162.12.3111.8C9 D11 M12 I50 L74 A77 E113C9-R69 HydrophobicContact CB-CG 4.46Å; C9-R69 CarbonylContact O-C 3.19Å; C9-R69 VanDerWaalsContact O-CA 3.3Å; C9-R69 WeakPolarHBondContact O-CA 3.46Å; D11-R69 WeakPolarHBondContact O-CD 3.22Å; D11-R69 WeakPolarHBondContact O-CG 3.43Å; M12-R69 WeakPolarHBondContact O-CD 3.29Å; M12-R69 PolarHBondContact O-NH1 2.78Å; I50-R69 VanDerWaalsContact CG2-NH1 3.26Å; R69-L74 HydrophobicContact CB-CD2 4.02Å; R69-L74 HydrophobicContact CB-CG 3.83Å; R69-A77 VanDerWaalsContact NH1-CB 3.3Å; R69-E113 IonicContact CZ-OE2 3.49Å; R69-E113 PolarHBondContact N-OE1 2.88Å; R69-E113 VanDerWaalsContact N-OE1 3.08Å; R69-E113 IonicContact NE-OE2 3Å; R69-E113 PolarHBondContact NE-OE2 2.84Å; R69-E113 IonicContact NH2-OE2 3.9Å; R69-E113 PolarHBondContact NH2-OE2 2.99Å
70S95.5Very high91.1Very high15 Ų1549.7 Ų49.711%0.10527%0.267CS..  trans-73.2176.3168.172.70000110.8G7 C9 D10 I72 G73 L74G7-S70 WeakPolarHBondContact O-CA 3.27Å; G7-S70 WeakPolarHBondContact O-CB 3.47Å; C9-S70 PolarHBondContact O-N 2.82Å; C9-S70 PolarHBondContact O-OG 2.96Å; D10-S70 VanDerWaalsContact OD1-CB 3.24Å; D10-S70 WeakPolarHBondContact OD1-CB 3.49Å; D10-S70 PolarHBondContact OD1-OG 3.4Å; S70-I72 PolarHBondContact O-N 3.42Å; S70-I72 PolarHBondContact OG-N 2.88Å; S70-I72 VanDerWaalsContact OG-N 3.15Å; S70-G73 PolarHBondContact O-N 2.88Å; S70-G73 PolarHBondContact OG-N 3.33Å; S70-L74 WeakPolarHBondContact O-CB 3.26Å; S70-L74 VanDerWaalsContact O-CG 3.3Å; S70-L74 WeakPolarHBondContact O-CG 3.39Å; S70-L74 PolarHBondContact O-N 3.46Å
71E96Very high92.6Very high92 Ų9245 Ų4543%0.4325%0.246SC..Hα-helixtrans-60.3-29.6170.4-174.7155.4-168.700112.3T75 N121 C123E71-T75 VanDerWaalsContact O-CB 3.23Å; E71-T75 WeakPolarHBondContact O-CB 3.38Å; E71-T75 PolarHBondContact O-N 2.84Å; E71-T75 PolarHBondContact O-OG1 2.97Å; E71-N121 PolarHBondContact OE1-ND2 3.46Å; E71-N121 PolarHBondContact OE2-ND2 3.26Å; E71-C123 HydrophobicContact CG-CB 3.61Å; E71-C123 WeakPolarHBondContact OE1-CB 3.3Å
72I95.7Very high93.8Very high95 Ų9540.4 Ų40.449%0.48721%0.213SC..Hα-helixtrans-70.1-51173.9-61.7169.4000110.2D10 S70 L74 T75 K76D10-I72 HydrophobicContact CB-CB 4.44Å; D10-I72 HydrophobicContact CB-CG2 4.19Å; S70-I72 PolarHBondContact O-N 3.42Å; S70-I72 PolarHBondContact OG-N 2.88Å; S70-I72 VanDerWaalsContact OG-N 3.15Å; I72-L74 PolarHBondContact O-N 2.94Å; I72-T75 PolarHBondContact O-N 3.19Å; I72-T75 VanDerWaalsContact O-N 3.17Å; I72-K76 WeakPolarHBondContact O-CG 3.31Å; I72-K76 PolarHBondContact O-N 3.39Å
73G96.4Very high94.7Very high0 Ų035.9 Ų35.90%018%0.181CC..Hα-helixtrans-62.6-39.9179.600000113D11 S70 A77D11-G73 VanDerWaalsContact O-CA 3.3Å; D11-G73 WeakPolarHBondContact O-CA 3.38Å; S70-G73 PolarHBondContact O-N 2.88Å; S70-G73 PolarHBondContact OG-N 3.33Å; G73-A77 WeakPolarHBondContact O-CB 3.39Å; G73-A77 PolarHBondContact O-N 2.97Å
74L98Very high95.2Very high8 Ų835.1 Ų35.14%0.04218%0.176CC..Hα-helixtrans-63.5-42.6172.2-73.5173.3000111.8R69 S70 I72 A77 M78 M110 L117 I127R69-L74 HydrophobicContact CB-CD2 4.02Å; R69-L74 HydrophobicContact CB-CG 3.83Å; S70-L74 WeakPolarHBondContact O-CB 3.26Å; S70-L74 VanDerWaalsContact O-CG 3.3Å; S70-L74 WeakPolarHBondContact O-CG 3.39Å; S70-L74 PolarHBondContact O-N 3.46Å; I72-L74 PolarHBondContact O-N 2.94Å; L74-A77 PolarHBondContact O-N 3.43Å; L74-M78 WeakPolarHBondContact O-CB 3.3Å; L74-M78 PolarHBondContact O-N 3.17Å; L74-M110 HydrophobicContact CD2-CB 4.34Å; L74-M110 HydrophobicContact CD2-CG 4.1Å; L74-L117 HydrophobicContact CD1-CD1 4.45Å; L74-I127 HydrophobicContact CB-CD1 3.95Å; L74-I127 HydrophobicContact CD2-CD1 4.46Å
75T97Very high95.7Very high53 Ų5331 Ų3133%0.32516%0.155SC..Hα-helixtrans-67.1-42178.5-610000112.2E71 I72 M78 R79 C123E71-T75 VanDerWaalsContact O-CB 3.23Å; E71-T75 WeakPolarHBondContact O-CB 3.38Å; E71-T75 PolarHBondContact O-N 2.84Å; E71-T75 PolarHBondContact O-OG1 2.97Å; I72-T75 PolarHBondContact O-N 3.19Å; I72-T75 VanDerWaalsContact O-N 3.17Å; T75-M78 PolarHBondContact O-N 3.32Å; T75-R79 PolarHBondContact O-N 2.96Å; T75-C123 PolarHBondContact OG1-SG 3.36Å; T75-C123 VanDerWaalsContact OG1-SG 3.38Å
76K97Very high96Very high97 Ų9728.2 Ų28.242%0.42214%0.137SC..Hα-helixtrans-58-50.6172.3-71.2180-172.11690110.8D10 M12 I72 M78 R79 F80D10-K76 VanDerWaalsContact O-CD 3.3Å; D10-K76 WeakPolarHBondContact O-CD 3.47Å; D10-K76 VanDerWaalsContact O-CE 3.3Å; D10-K76 WeakPolarHBondContact O-CE 3.46Å; D10-K76 PolarHBondContact O-NZ 2.91Å; M12-K76 HydrophobicContact CG-CB 3.65Å; M12-K76 VanDerWaalsContact SD-C 3.54Å; M12-K76 HydrophobicContact SD-CB 4.14Å; I72-K76 WeakPolarHBondContact O-CG 3.31Å; I72-K76 PolarHBondContact O-N 3.39Å; K76-M78 PolarHBondContact O-N 3.46Å; K76-R79 PolarHBondContact O-N 3.29Å; K76-F80 PolarHBondContact O-N 2.89Å
77A98.1Very high96.2Very high0 Ų028.9 Ų28.90%014%0.139CC..Hα-helixtrans-61.7-41.2-179.700000112.7M12 I50 R69 G73 L74 L81 M110M12-A77 HydrophobicContact CB-CB 4.09Å; M12-A77 HydrophobicContact CG-CB 4.13Å; I50-A77 HydrophobicContact CG2-CB 4.14Å; R69-A77 VanDerWaalsContact NH1-CB 3.3Å; G73-A77 WeakPolarHBondContact O-CB 3.39Å; G73-A77 PolarHBondContact O-N 2.97Å; L74-A77 PolarHBondContact O-N 3.43Å; A77-L81 VanDerWaalsContact O-CB 3.3Å; A77-L81 WeakPolarHBondContact O-CB 3.15Å; A77-L81 PolarHBondContact O-N 3.32Å; A77-M110 HydrophobicContact CB-SD 3.88Å
78M97.8Very high96.3Very high14 Ų1429.8 Ų29.87%0.06915%0.147CC..Hα-helixtrans-61.2-47.6173.9-176.4-164.566.300111.5L74 T75 K76 L81 F82 M110 I127L74-M78 WeakPolarHBondContact O-CB 3.3Å; L74-M78 PolarHBondContact O-N 3.17Å; T75-M78 PolarHBondContact O-N 3.32Å; K76-M78 PolarHBondContact O-N 3.46Å; M78-L81 PolarHBondContact O-N 3.44Å; M78-F82 HydrophobicContact CG-CD2 3.96Å; M78-F82 WeakPolarHBondContact O-CB 3.37Å; M78-F82 PolarHBondContact O-N 3.49Å; M78-M110 HydrophobicContact CB-SD 4.3Å; M78-I127 HydrophobicContact CB-CD1 4.39Å; M78-I127 HydrophobicContact CB-CG1 3.88Å; M78-I127 HydrophobicContact CG-CG1 3.77Å; M78-I127 HydrophobicContact SD-CB 4.46Å; M78-I127 HydrophobicContact SD-CG1 3.59Å; M78-I127 VanDerWaalsContact SD-CG1 3.59Å
79R97.3Very high96.3Very high76 Ų7631.4 Ų31.429%0.28715%0.154SC..Hα-helixtrans-62.6-46.2178.7-78-168.370.3111.6-0.8111.2T75 K76 V83 D337 E338T75-R79 PolarHBondContact O-N 2.96Å; K76-R79 PolarHBondContact O-N 3.29Å; R79-V83 WeakPolarHBondContact O-CA 3.31Å; R79-V83 WeakPolarHBondContact O-CB 3.34Å; R79-V83 WeakPolarHBondContact O-CG2 3.44Å; R79-V83 PolarHBondContact O-N 3.04Å; R79-D337 IonicContact CZ-OD2 2.71Å; R79-D337 IonicContact NH1-OD2 2.76Å; R79-D337 PolarHBondContact NH1-OD2 2.85Å; R79-D337 PolarHBondContact NH2-O 3.28Å; R79-D337 IonicContact NH2-OD2 3.79Å; R79-D337 PolarHBondContact NH2-OD2 3.26Å; R79-E338 PolarHBondContact NH2-O 3.08Å
80F97.6Very high96.1Very high0 Ų032.2 Ų32.20%016%0.159CC..Iπ-helixtrans-62.1-47.6178.3179.3-129.7000111.9M12 Y30 F35 L36 L48 I50 K76 C84 V85 W339M12-F80 HydrophobicContact CE-CB 3.98Å; M12-F80 HydrophobicContact CE-CD1 3.51Å; M12-F80 HydrophobicContact CE-CE1 4.31Å; M12-F80 HydrophobicContact CE-CG 3.9Å; M12-F80 HydrophobicContact SD-CB 3.47Å; M12-F80 WeakPolarHBondContact SD-CB 3.11Å; M12-F80 HydrophobicContact SD-CD1 4.06Å; M12-F80 HydrophobicContact SD-CG 4.08Å; Y30-F80 WeakPolarHBondContact O-CZ 3.28Å; F35-F80 HydrophobicContact CD1-CZ 4.31Å; F35-F80 HydrophobicContact CE1-CE2 4.05Å; F35-F80 AromaticContact CE1-CZ 3.99Å; F35-F80 HydrophobicContact CE1-CZ 3.99Å; L36-F80 HydrophobicContact CD1-CE2 4.38Å; L48-F80 HydrophobicContact CB-CE1 3.93Å; L48-F80 HydrophobicContact CB-CZ 3.86Å; L48-F80 HydrophobicContact CD1-CZ 4.5Å; L48-F80 HydrophobicContact CD2-CD2 4.37Å; L48-F80 HydrophobicContact CD2-CE1 4.37Å; L48-F80 HydrophobicContact CD2-CE2 3.75Å; L48-F80 HydrophobicContact CD2-CZ 3.77Å; L48-F80 HydrophobicContact CG-CZ 4.23Å; L48-F80 WeakPolarHBondContact O-CE1 3.35Å; I50-F80 HydrophobicContact CD1-CD1 3.52Å; I50-F80 HydrophobicContact CD1-CE1 3.95Å; I50-F80 HydrophobicContact CG1-CD1 3.69Å; I50-F80 HydrophobicContact CG1-CE1 4.04Å; K76-F80 PolarHBondContact O-N 2.89Å; F80-C84 HydrophobicContact CD2-CB 3.62Å; F80-C84 HydrophobicContact CE2-CB 3.89Å; F80-C84 WeakPolarHBondContact O-CA 3.37Å; F80-C84 VanDerWaalsContact O-CB 3.25Å; F80-C84 WeakPolarHBondContact O-CB 3.41Å; F80-C84 PolarHBondContact O-N 3.36Å; F80-C84 VanDerWaalsContact O-N 3.14Å; F80-V85 HydrophobicContact CD2-CG2 4.32Å; F80-V85 HydrophobicContact CE1-CG2 4.04Å; F80-V85 HydrophobicContact CE2-CG2 3.76Å; F80-V85 HydrophobicContact CZ-CG2 3.58Å; F80-V85 PolarHBondContact O-N 2.95Å; F80-W339 HydrophobicContact CB-CZ2 4.11Å; F80-W339 AromaticContact CD2-CD2 3.97Å; F80-W339 HydrophobicContact CD2-CD2 3.97Å; F80-W339 AromaticContact CD2-CE2 3.55Å; F80-W339 HydrophobicContact CD2-CE3 4.32Å; F80-W339 AromaticContact CD2-CH2 3.89Å; F80-W339 HydrophobicContact CD2-CH2 3.89Å; F80-W339 AromaticContact CD2-CZ2 3.5Å; F80-W339 HydrophobicContact CD2-CZ2 3.5Å; F80-W339 VanDerWaalsContact CD2-CZ2 3.5Å; F80-W339 HydrophobicContact CD2-CZ3 4.29Å; F80-W339 HydrophobicContact CE2-CH2 4.19Å; F80-W339 HydrophobicContact CE2-CZ2 4.24Å; F80-W339 HydrophobicContact CE2-CZ3 4.45Å; F80-W339 AromaticContact CG-CZ2 3.98Å; F80-W339 HydrophobicContact CG-CZ2 3.98Å
81L98.1Very high95.8Very high0 Ų037.1 Ų37.10%019%0.194CC..Iπ-helixtrans-66.2-47.9-177.2-164.763.7000113.1I50 A77 M78 L86 F102 I103 R106 M110I50-L81 HydrophobicContact CD1-CB 4.09Å; I50-L81 HydrophobicContact CD1-CD1 3.82Å; I50-L81 HydrophobicContact CD1-CG 4.48Å; A77-L81 VanDerWaalsContact O-CB 3.3Å; A77-L81 WeakPolarHBondContact O-CB 3.15Å; A77-L81 PolarHBondContact O-N 3.32Å; M78-L81 PolarHBondContact O-N 3.44Å; L81-L86 PolarHBondContact O-N 3.04Å; L81-F102 HydrophobicContact CD1-CD1 3.85Å; L81-F102 HydrophobicContact CD1-CE1 3.48Å; L81-F102 VanDerWaalsContact CD1-CE1 3.48Å; L81-F102 HydrophobicContact CD1-CZ 4.39Å; L81-I103 HydrophobicContact CD1-CB 4.38Å; L81-I103 HydrophobicContact CD1-CG1 3.93Å; L81-I103 HydrophobicContact CD2-CG2 4.24Å; L81-I103 HydrophobicContact CG-CG1 4.35Å; L81-I103 HydrophobicContact CG-CG2 4.18Å; L81-R106 HydrophobicContact CD1-CB 4.07Å; L81-R106 HydrophobicContact CD2-CB 3.86Å; L81-M110 HydrophobicContact CD2-CE 3.62Å
82F97.6Very high95.6Very high0 Ų036.1 Ų36.10%019%0.189CC..Iπ-helixtrans-96.9-10.9-171.8-67.2-68.7000115M78 L86 I103 M110 R130 F134 I331 N332M78-F82 HydrophobicContact CG-CD2 3.96Å; M78-F82 WeakPolarHBondContact O-CB 3.37Å; M78-F82 PolarHBondContact O-N 3.49Å; F82-L86 HydrophobicContact CD1-CD2 4.44Å; F82-L86 WeakPolarHBondContact O-CB 3.4Å; F82-L86 VanDerWaalsContact O-CD2 3.3Å; F82-L86 WeakPolarHBondContact O-CD2 3.43Å; F82-I103 HydrophobicContact CE1-CG2 3.98Å; F82-M110 HydrophobicContact CE2-CE 3.99Å; F82-R130 HydrophobicContact CD1-CB 4.06Å; F82-R130 HydrophobicContact CD2-CB 3.8Å; F82-R130 HydrophobicContact CD2-CG 4.37Å; F82-R130 HydrophobicContact CE1-CB 4.06Å; F82-R130 HydrophobicContact CE2-CB 3.78Å; F82-R130 HydrophobicContact CG-CB 3.93Å; F82-R130 HydrophobicContact CG-CG 4.3Å; F82-R130 HydrophobicContact CZ-CB 3.91Å; F82-F134 HydrophobicContact CE1-CB 3.99Å; F82-F134 HydrophobicContact CE1-CG 4.32Å; F82-I331 HydrophobicContact CD1-CG2 4.09Å; F82-I331 HydrophobicContact CE1-CG2 4.45Å; F82-N332 PolarHBondContact O-ND2 2.95Å
83V96.1Very high95.4Very high5 Ų535 Ų353%0.0319%0.188CC..Iπ-helixtrans-112.6-32.4177.4-168.10000112.6R79 K87 V336 D337 W339R79-V83 WeakPolarHBondContact O-CA 3.31Å; R79-V83 WeakPolarHBondContact O-CB 3.34Å; R79-V83 WeakPolarHBondContact O-CG2 3.44Å; R79-V83 PolarHBondContact O-N 3.04Å; V83-K87 VanDerWaalsContact O-CD 3.25Å; V83-K87 WeakPolarHBondContact O-CD 3.41Å; V83-K87 VanDerWaalsContact O-CE 3.31Å; V83-K87 WeakPolarHBondContact O-CE 3.38Å; V83-K87 WeakPolarHBondContact O-CG 3.38Å; V83-V336 HydrophobicContact CG1-CB 4.45Å; V83-V336 HydrophobicContact CG1-CG2 3.88Å; V83-V336 HydrophobicContact CG2-CB 4.39Å; V83-V336 HydrophobicContact CG2-CG2 4.05Å; V83-D337 WeakPolarHBondContact CG1-O 3.3Å; V83-W339 HydrophobicContact CB-CB 4.37Å; V83-W339 HydrophobicContact CG1-CB 4.31Å
84C96Very high95.2Very high18 Ų1844.2 Ų44.212%0.12222%0.223CC..Iπ-helixtrans-92.6-70.5173.2-168.90000111.5F80 L86 K87 W339F80-C84 HydrophobicContact CD2-CB 3.62Å; F80-C84 HydrophobicContact CE2-CB 3.89Å; F80-C84 WeakPolarHBondContact O-CA 3.37Å; F80-C84 VanDerWaalsContact O-CB 3.25Å; F80-C84 WeakPolarHBondContact O-CB 3.41Å; F80-C84 PolarHBondContact O-N 3.36Å; F80-C84 VanDerWaalsContact O-N 3.14Å; C84-L86 VanDerWaalsContact C-N 3.31Å; C84-L86 PolarHBondContact O-N 3.39Å; C84-K87 PolarHBondContact O-N 2.84Å; C84-W339 HydrophobicContact CB-CB 3.85Å; C84-W339 HydrophobicContact CB-CD2 3.89Å; C84-W339 HydrophobicContact CB-CE3 4.05Å; C84-W339 HydrophobicContact CB-CG 3.8Å
85V97Very high95.1Very high0 Ų048.7 Ų48.70%024%0.244CC..G310 helixtrans-66.1-32.8-169.1-1760000112.5Y30 F35 F80 K87 T88 W99 F102 I103Y30-V85 HydrophobicContact CD1-CG1 3.67Å; Y30-V85 HydrophobicContact CD2-CG1 4.27Å; Y30-V85 HydrophobicContact CE1-CG1 4.07Å; Y30-V85 HydrophobicContact CG-CG1 3.78Å; F35-V85 HydrophobicContact CE1-CG2 3.9Å; F35-V85 HydrophobicContact CZ-CG2 4.22Å; F80-V85 HydrophobicContact CD2-CG2 4.32Å; F80-V85 HydrophobicContact CE1-CG2 4.04Å; F80-V85 HydrophobicContact CE2-CG2 3.76Å; F80-V85 HydrophobicContact CZ-CG2 3.58Å; F80-V85 PolarHBondContact O-N 2.95Å; V85-K87 VanDerWaalsContact C-N 3.28Å; V85-K87 PolarHBondContact O-N 3.39Å; V85-T88 PolarHBondContact O-N 3.23Å; V85-T88 PolarHBondContact O-OG1 3.19Å; V85-W99 PolarHBondContact O-NE1 3.28Å; V85-F102 HydrophobicContact CB-CE1 4.39Å; V85-F102 HydrophobicContact CG1-CD1 3.82Å; V85-F102 HydrophobicContact CG1-CE1 3.94Å; V85-F102 HydrophobicContact CG2-CE1 4.1Å; V85-I103 HydrophobicContact CG1-CD1 4.41Å; V85-I103 HydrophobicContact CG1-CG1 4.34Å
86L95.7Very high95Very high0 Ų046.4 Ų46.40%023%0.229CC..G310 helixtrans-61.1-33.6174.2-170.677000113.1L81 F82 C84 T88 W99 I103 F134 H327 I331L81-L86 PolarHBondContact O-N 3.04Å; F82-L86 HydrophobicContact CD1-CD2 4.44Å; F82-L86 WeakPolarHBondContact O-CB 3.4Å; F82-L86 VanDerWaalsContact O-CD2 3.3Å; F82-L86 WeakPolarHBondContact O-CD2 3.43Å; C84-L86 VanDerWaalsContact C-N 3.31Å; C84-L86 PolarHBondContact O-N 3.39Å; L86-T88 VanDerWaalsContact C-N 3.29Å; L86-T88 PolarHBondContact O-N 3.16Å; L86-W99 HydrophobicContact CD1-CH2 4.01Å; L86-W99 HydrophobicContact CD1-CZ2 3.71Å; L86-W99 HydrophobicContact CG-CZ2 4.37Å; L86-W99 WeakPolarHBondContact O-CZ2 3.41Å; L86-I103 HydrophobicContact CB-CD1 4.41Å; L86-I103 HydrophobicContact CD1-CD1 3.92Å; L86-F134 HydrophobicContact CD1-CD2 3.84Å; L86-F134 HydrophobicContact CD1-CE2 4.21Å; L86-H327 PolarHBondContact O-NE2 3.47Å; L86-I331 HydrophobicContact CD1-CD1 3.85Å; L86-I331 HydrophobicContact CD2-CB 3.78Å; L86-I331 HydrophobicContact CD2-CD1 4.04Å; L86-I331 HydrophobicContact CD2-CG2 3.74Å; L86-I331 HydrophobicContact CG-CD1 4.44Å
87K92.4Very high94.9Very high94 Ų9442.8 Ų42.841%0.40922%0.215SC..G310 helixtrans-70.4-26.2178.4-70.4-176.9-175.6-179.50112.5V83 C84 V85 E89 S328V83-K87 VanDerWaalsContact O-CD 3.25Å; V83-K87 WeakPolarHBondContact O-CD 3.41Å; V83-K87 VanDerWaalsContact O-CE 3.31Å; V83-K87 WeakPolarHBondContact O-CE 3.38Å; V83-K87 WeakPolarHBondContact O-CG 3.38Å; C84-K87 PolarHBondContact O-N 2.84Å; V85-K87 VanDerWaalsContact C-N 3.28Å; V85-K87 PolarHBondContact O-N 3.39Å; K87-E89 PolarHBondContact O-N 3.41Å; K87-E89 VanDerWaalsContact O-N 3.1Å; K87-S328 WeakPolarHBondContact CG-OG 3.36Å
88T93.3Very high94.8Very high56 Ų5651.4 Ų51.434%0.34425%0.247SC..  trans-86.842.8-177.365.80000112.6F35 V85 L86 P90F35-T88 HydrophobicContact CE2-CG2 4.04Å; F35-T88 HydrophobicContact CZ-CG2 4.04Å; V85-T88 PolarHBondContact O-N 3.23Å; V85-T88 PolarHBondContact O-OG1 3.19Å; L86-T88 VanDerWaalsContact C-N 3.29Å; L86-T88 PolarHBondContact O-N 3.16Å; T88-P90 VanDerWaalsContact O-CD 3.27Å; T88-P90 WeakPolarHBondContact O-CD 3.36Å
89E93.2Very high94.8Very high36 Ų3650.8 Ų50.817%0.16824%0.244CC..  trans-65.3117.2176.3-169.6-165.8110.100109.8K87 L96 W99 Y137 R141K87-E89 PolarHBondContact O-N 3.41Å; K87-E89 VanDerWaalsContact O-N 3.1Å; E89-L96 HydrophobicContact CG-CD1 3.47Å; E89-L96 VanDerWaalsContact CG-CD1 3.47Å; E89-W99 HydrophobicContact CB-CD2 4.48Å; E89-W99 HydrophobicContact CB-CH2 4.32Å; E89-W99 HydrophobicContact CB-CZ2 3.86Å; E89-W99 HydrophobicContact CG-CD2 4.18Å; E89-W99 HydrophobicContact CG-CE3 4.19Å; E89-W99 HydrophobicContact CG-CH2 4.03Å; E89-W99 HydrophobicContact CG-CZ2 4.03Å; E89-W99 HydrophobicContact CG-CZ3 4.12Å; E89-Y137 VanDerWaalsContact OE2-CE1 3.23Å; E89-Y137 WeakPolarHBondContact OE2-CE1 3.22Å; E89-Y137 VanDerWaalsContact OE2-CZ 3.32Å; E89-Y137 PolarHBondContact OE2-OH 2.99Å; E89-R141 IonicContact OE1-CZ 2.76Å; E89-R141 IonicContact OE1-NE 3.4Å; E89-R141 PolarHBondContact OE1-NE 3.03Å; E89-R141 IonicContact OE1-NH2 2.71Å; E89-R141 PolarHBondContact OE1-NH2 3.21Å; E89-R141 IonicContact OE2-NE 2.66Å
90P93.2Very high94.8Very high17 Ų1747.7 Ų47.711%0.1123%0.232CC..  trans-85.8144.5-174.134.3-34.5000111.7T88 E92 Q95 L96 W99T88-P90 VanDerWaalsContact O-CD 3.27Å; T88-P90 WeakPolarHBondContact O-CD 3.36Å; P90-E92 VanDerWaalsContact C-N 3.32Å; P90-E92 PolarHBondContact O-N 3.44Å; P90-Q95 HydrophobicContact CB-CB 3.72Å; P90-Q95 HydrophobicContact CG-CB 3.54Å; P90-L96 HydrophobicContact CG-CB 4.33Å; P90-W99 HydrophobicContact CG-CB 4.15Å
91S88.6Confident94.7Very high119 Ų11951.5 Ų51.583%0.83225%0.253SS*.SBendtrans-74.8-19.3178-43.50000113.8
92E92.6Very high94.7Very high70 Ų7051.8 Ų51.833%0.32725%0.254SS..SBendtrans-80.1127.4-178.6-167.2-76.7124.100111P90 R94 Q95 L96P90-E92 VanDerWaalsContact C-N 3.32Å; P90-E92 PolarHBondContact O-N 3.44Å; E92-R94 PolarHBondContact O-N 2.69Å; E92-R94 WeakPolarHBondContact OE1-CG 3.42Å; E92-R94 PolarHBondContact OE1-N 3.3Å; E92-R94 WeakPolarHBondContact OE2-CA 3.21Å; E92-R94 VanDerWaalsContact OE2-CB 3.3Å; E92-R94 WeakPolarHBondContact OE2-CB 3.39Å; E92-R94 PolarHBondContact OE2-N 2.78Å; E92-R94 VanDerWaalsContact OE2-N 3.11Å; E92-Q95 HydrophobicContact CB-CB 4.31Å; E92-Q95 HydrophobicContact CB-CG 4.37Å; E92-Q95 PolarHBondContact O-N 2.81Å; E92-Q95 WeakPolarHBondContact OE2-CG 3.43Å; E92-Q95 PolarHBondContact OE2-N 3.07Å; E92-L96 WeakPolarHBondContact O-CB 3.36Å; E92-L96 PolarHBondContact O-N 3.18Å
93P90.2Very high94.7Very high71 Ų7151.8 Ų51.846%0.46125%0.254SS..Hα-helixtrans-55.4-37.2-172.5-30.736.6000116.9L97 F145P93-L97 WeakPolarHBondContact O-CG 3.22Å; P93-L97 PolarHBondContact O-N 3.42Å; P93-F145 HydrophobicContact CB-CE1 3.9Å; P93-F145 HydrophobicContact CB-CZ 3.88Å
94R93.1Very high94.7Very high195 Ų19553.2 Ų53.274%0.73626%0.259SS*.Hα-helixtrans-76.1-39.2-179.9-56.2169.2173.2-172.5-2.1111.4E92 L96 L97 R98E92-R94 PolarHBondContact O-N 2.69Å; E92-R94 WeakPolarHBondContact OE1-CG 3.42Å; E92-R94 PolarHBondContact OE1-N 3.3Å; E92-R94 WeakPolarHBondContact OE2-CA 3.21Å; E92-R94 VanDerWaalsContact OE2-CB 3.3Å; E92-R94 WeakPolarHBondContact OE2-CB 3.39Å; E92-R94 PolarHBondContact OE2-N 2.78Å; E92-R94 VanDerWaalsContact OE2-N 3.11Å; R94-L96 VanDerWaalsContact C-N 3.31Å; R94-L97 PolarHBondContact O-N 3.38Å; R94-R98 WeakPolarHBondContact O-CG 3.4Å; R94-R98 PolarHBondContact O-N 3.36Å
95Q94.9Very high94.7Very high102 Ų10253 Ų5348%0.47726%0.257SS..Hα-helixtrans-63.2-37.8171.2-69.3174.710.700111.4P90 E92 L97 R98 W99P90-Q95 HydrophobicContact CB-CB 3.72Å; P90-Q95 HydrophobicContact CG-CB 3.54Å; E92-Q95 HydrophobicContact CB-CB 4.31Å; E92-Q95 HydrophobicContact CB-CG 4.37Å; E92-Q95 PolarHBondContact O-N 2.81Å; E92-Q95 WeakPolarHBondContact OE2-CG 3.43Å; E92-Q95 PolarHBondContact OE2-N 3.07Å; Q95-L97 VanDerWaalsContact C-N 3.34Å; Q95-L97 PolarHBondContact O-N 3.07Å; Q95-R98 PolarHBondContact O-N 2.75Å; Q95-W99 WeakPolarHBondContact O-CB 3.23Å; Q95-W99 PolarHBondContact O-N 2.9Å
96L94.7Very high94.7Very high4 Ų453.5 Ų53.52%0.02126%0.258CS..Hα-helixtrans-64.2-37.6179.2-179.560.1000112.3E89 P90 E92 R94 W99 Y100 L142 F145E89-L96 HydrophobicContact CG-CD1 3.47Å; E89-L96 VanDerWaalsContact CG-CD1 3.47Å; P90-L96 HydrophobicContact CG-CB 4.33Å; E92-L96 WeakPolarHBondContact O-CB 3.36Å; E92-L96 PolarHBondContact O-N 3.18Å; R94-L96 VanDerWaalsContact C-N 3.31Å; L96-W99 HydrophobicContact CD1-CE3 4.02Å; L96-W99 HydrophobicContact CD1-CZ3 4.42Å; L96-Y100 PolarHBondContact O-N 3.28Å; L96-Y100 VanDerWaalsContact O-N 3.09Å; L96-L142 HydrophobicContact CD1-CD2 4.31Å; L96-L142 HydrophobicContact CD2-CD2 3.91Å; L96-L142 HydrophobicContact CG-CD2 3.75Å; L96-F145 HydrophobicContact CD2-CE2 4.09Å; L96-F145 HydrophobicContact CD2-CZ 4.39Å
97L95.5Very high94.8Very high22 Ų2253.5 Ų53.512%0.11526%0.258CS..Hα-helixtrans-66.1-46.2171.3-66.7170.7000111.4P93 R94 Q95 W99 Y100 D101 F145 K149 F150P93-L97 WeakPolarHBondContact O-CG 3.22Å; P93-L97 PolarHBondContact O-N 3.42Å; R94-L97 PolarHBondContact O-N 3.38Å; Q95-L97 VanDerWaalsContact C-N 3.34Å; Q95-L97 PolarHBondContact O-N 3.07Å; L97-W99 VanDerWaalsContact C-N 3.3Å; L97-W99 PolarHBondContact O-N 2.67Å; L97-Y100 WeakPolarHBondContact O-CB 3.38Å; L97-Y100 PolarHBondContact O-N 3.46Å; L97-Y100 VanDerWaalsContact O-N 3.13Å; L97-D101 VanDerWaalsContact O-CG 3.27Å; L97-D101 PolarHBondContact O-N 3.03Å; L97-F145 HydrophobicContact CD1-CD1 4.09Å; L97-F145 HydrophobicContact CD1-CE1 3.92Å; L97-F145 HydrophobicContact CD1-CZ 4.37Å; L97-F145 HydrophobicContact CD2-CD1 4.25Å; L97-F145 HydrophobicContact CD2-CD2 3.92Å; L97-F145 HydrophobicContact CD2-CE1 4.34Å; L97-F145 HydrophobicContact CD2-CE2 4.03Å; L97-F145 HydrophobicContact CD2-CG 4.03Å; L97-F145 HydrophobicContact CD2-CZ 4.23Å; L97-F145 HydrophobicContact CG-CD1 4.43Å; L97-F145 HydrophobicContact CG-CE1 4.12Å; L97-F145 HydrophobicContact CG-CE2 4.34Å; L97-F145 HydrophobicContact CG-CZ 4.07Å; L97-K149 HydrophobicContact CD1-CB 3.91Å; L97-K149 HydrophobicContact CD1-CG 4.44Å; L97-F150 HydrophobicContact CD2-CB 4.14Å
98R95.9Very high95Very high180 Ų18051.1 Ų51.168%0.67925%0.247SC*.Hα-helixtrans-61.4-35.2176.4-70.4174.6174.1-167.9-3.1113.5R94 Q95 F102R94-R98 WeakPolarHBondContact O-CG 3.4Å; R94-R98 PolarHBondContact O-N 3.36Å; Q95-R98 PolarHBondContact O-N 2.75Å; R98-F102 WeakPolarHBondContact O-CB 3.43Å; R98-F102 PolarHBondContact O-N 2.76Å; R98-F102 VanDerWaalsContact O-N 3.12Å
99W97.1Very high95.2Very high1 Ų148.6 Ų48.60%0.00423%0.232CC..Hα-helixtrans-63.1-47.7173175.187.3000111.1Y30 V85 L86 E89 P90 Q95 L96 L97 I103 F134 Y137Y30-W99 WeakPolarHBondContact OH-CB 3.33Å; V85-W99 PolarHBondContact O-NE1 3.28Å; L86-W99 HydrophobicContact CD1-CH2 4.01Å; L86-W99 HydrophobicContact CD1-CZ2 3.71Å; L86-W99 HydrophobicContact CG-CZ2 4.37Å; L86-W99 WeakPolarHBondContact O-CZ2 3.41Å; E89-W99 HydrophobicContact CB-CD2 4.48Å; E89-W99 HydrophobicContact CB-CH2 4.32Å; E89-W99 HydrophobicContact CB-CZ2 3.86Å; E89-W99 HydrophobicContact CG-CD2 4.18Å; E89-W99 HydrophobicContact CG-CE3 4.19Å; E89-W99 HydrophobicContact CG-CH2 4.03Å; E89-W99 HydrophobicContact CG-CZ2 4.03Å; E89-W99 HydrophobicContact CG-CZ3 4.12Å; P90-W99 HydrophobicContact CG-CB 4.15Å; Q95-W99 WeakPolarHBondContact O-CB 3.23Å; Q95-W99 PolarHBondContact O-N 2.9Å; L96-W99 HydrophobicContact CD1-CE3 4.02Å; L96-W99 HydrophobicContact CD1-CZ3 4.42Å; L97-W99 VanDerWaalsContact C-N 3.3Å; L97-W99 PolarHBondContact O-N 2.67Å; W99-I103 HydrophobicContact CD2-CD1 4.05Å; W99-I103 HydrophobicContact CH2-CD1 4.38Å; W99-I103 HydrophobicContact CZ2-CD1 3.76Å; W99-I103 WeakPolarHBondContact O-CG1 3.42Å; W99-I103 PolarHBondContact O-N 2.9Å; W99-I103 VanDerWaalsContact O-N 3.16Å; W99-F134 AromaticContact CH2-CE2 3.98Å; W99-F134 HydrophobicContact CH2-CE2 3.98Å; W99-F134 HydrophobicContact CZ3-CE2 4.02Å; W99-Y137 HydrophobicContact CH2-CE1 4.12Å
100Y97.1Very high95.4Very high11 Ų1146.9 Ų46.94%0.04322%0.224CC..Hα-helixtrans-61.5-50.1174.6167.3-94000112.1L96 L97 F102 I103 W104 F134 A138 L142 F150 N155L96-Y100 PolarHBondContact O-N 3.28Å; L96-Y100 VanDerWaalsContact O-N 3.09Å; L97-Y100 WeakPolarHBondContact O-CB 3.38Å; L97-Y100 PolarHBondContact O-N 3.46Å; L97-Y100 VanDerWaalsContact O-N 3.13Å; Y100-F102 PolarHBondContact O-N 3.23Å; Y100-I103 PolarHBondContact O-N 2.89Å; Y100-W104 HydrophobicContact CE1-CB 4.07Å; Y100-W104 HydrophobicContact CE1-CG 4.19Å; Y100-W104 HydrophobicContact CE2-CB 4.22Å; Y100-W104 AromaticContact CZ-CD1 3.64Å; Y100-W104 AromaticContact CZ-CG 3.93Å; Y100-W104 WeakPolarHBondContact O-CB 3.49Å; Y100-W104 PolarHBondContact O-N 3.03Å; Y100-F134 AromaticContact CD2-CE1 3.94Å; Y100-F134 HydrophobicContact CD2-CE1 3.94Å; Y100-F134 AromaticContact CD2-CZ 3.62Å; Y100-F134 HydrophobicContact CD2-CZ 3.62Å; Y100-F134 AromaticContact CE2-CE1 3.92Å; Y100-F134 HydrophobicContact CE2-CE1 3.92Å; Y100-F134 HydrophobicContact CE2-CZ 4.09Å; Y100-A138 HydrophobicContact CD2-CB 3.67Å; Y100-A138 HydrophobicContact CE2-CB 3.64Å; Y100-L142 HydrophobicContact CD1-CD1 4.14Å; Y100-L142 HydrophobicContact CD2-CD1 3.52Å; Y100-L142 HydrophobicContact CE2-CD1 4.23Å; Y100-L142 HydrophobicContact CG-CD1 3.46Å; Y100-L142 VanDerWaalsContact CG-CD1 3.46Å; Y100-F150 HydrophobicContact CD1-CD2 4.23Å; Y100-F150 HydrophobicContact CD1-CE2 4.32Å; Y100-F150 HydrophobicContact CD2-CE2 4.36Å; Y100-F150 AromaticContact CE1-CD2 3.95Å; Y100-F150 HydrophobicContact CE1-CD2 3.95Å; Y100-F150 AromaticContact CE1-CE2 3.83Å; Y100-F150 HydrophobicContact CE1-CE2 3.83Å; Y100-F150 AromaticContact CE2-CE2 3.87Å; Y100-F150 HydrophobicContact CE2-CE2 3.87Å; Y100-F150 AromaticContact CZ-CE2 3.58Å; Y100-N155 PolarHBondContact OH-OD1 3.26Å
101D96.1Very high95.6Very high80 Ų8047.1 Ų47.143%0.42822%0.222SC..Hα-helixtrans-56.9-41-178.1-69.6-28.4000111.4L97 D105L97-D101 VanDerWaalsContact O-CG 3.27Å; L97-D101 PolarHBondContact O-N 3.03Å; D101-D105 WeakPolarHBondContact O-CB 3.32Å; D101-D105 PolarHBondContact O-N 2.97Å
102F97.6Very high95.8Very high7 Ų743.5 Ų43.53%0.03119%0.192CC..Hα-helixtrans-63.7-51.2176.4-178.7-102.3000112.6A28 Y30 E31 I50 L81 V85 R98 Y100 W104 D105 R106A28-F102 HydrophobicContact CB-CD2 3.44Å; A28-F102 VanDerWaalsContact CB-CD2 3.44Å; A28-F102 HydrophobicContact CB-CE2 3.75Å; A28-F102 HydrophobicContact CB-CG 4.4Å; Y30-F102 HydrophobicContact CD2-CB 3.86Å; Y30-F102 AromaticContact CD2-CD1 3.7Å; Y30-F102 HydrophobicContact CD2-CD1 3.7Å; Y30-F102 HydrophobicContact CD2-CD2 4.14Å; Y30-F102 HydrophobicContact CD2-CE1 4.28Å; Y30-F102 AromaticContact CD2-CG 3.6Å; Y30-F102 HydrophobicContact CD2-CG 3.6Å; Y30-F102 HydrophobicContact CE2-CB 4.1Å; Y30-F102 HydrophobicContact CE2-CD1 4.5Å; Y30-F102 HydrophobicContact CE2-CG 4.33Å; Y30-F102 HydrophobicContact CG-CD1 4.09Å; Y30-F102 HydrophobicContact CG-CE1 4.26Å; Y30-F102 HydrophobicContact CG-CG 4.38Å; E31-F102 HydrophobicContact CG-CE2 3.71Å; E31-F102 HydrophobicContact CG-CZ 3.83Å; I50-F102 HydrophobicContact CD1-CE1 4.29Å; I50-F102 HydrophobicContact CD1-CZ 4.03Å; L81-F102 HydrophobicContact CD1-CD1 3.85Å; L81-F102 HydrophobicContact CD1-CE1 3.48Å; L81-F102 VanDerWaalsContact CD1-CE1 3.48Å; L81-F102 HydrophobicContact CD1-CZ 4.39Å; V85-F102 HydrophobicContact CB-CE1 4.39Å; V85-F102 HydrophobicContact CG1-CD1 3.82Å; V85-F102 HydrophobicContact CG1-CE1 3.94Å; V85-F102 HydrophobicContact CG2-CE1 4.1Å; R98-F102 WeakPolarHBondContact O-CB 3.43Å; R98-F102 PolarHBondContact O-N 2.76Å; R98-F102 VanDerWaalsContact O-N 3.12Å; Y100-F102 PolarHBondContact O-N 3.23Å; F102-W104 VanDerWaalsContact C-N 3.35Å; F102-W104 PolarHBondContact O-N 3.36Å; F102-D105 PolarHBondContact O-N 2.83Å; F102-R106 HydrophobicContact CD2-CG 4.09Å; F102-R106 HydrophobicContact CE1-CG 4.32Å; F102-R106 HydrophobicContact CE2-CG 3.72Å; F102-R106 HydrophobicContact CZ-CG 3.86Å; F102-R106 WeakPolarHBondContact O-CG 3.13Å; F102-R106 PolarHBondContact O-N 2.87Å
103I98.1Very high96Very high0 Ų040.3 Ų40.30%018%0.177CC..Hα-helixtrans-66.8-38.7-179.8-61.6175.4000110.9L81 F82 V85 L86 W99 Y100 S107 F134L81-I103 HydrophobicContact CD1-CB 4.38Å; L81-I103 HydrophobicContact CD1-CG1 3.93Å; L81-I103 HydrophobicContact CD2-CG2 4.24Å; L81-I103 HydrophobicContact CG-CG1 4.35Å; L81-I103 HydrophobicContact CG-CG2 4.18Å; F82-I103 HydrophobicContact CE1-CG2 3.98Å; V85-I103 HydrophobicContact CG1-CD1 4.41Å; V85-I103 HydrophobicContact CG1-CG1 4.34Å; L86-I103 HydrophobicContact CB-CD1 4.41Å; L86-I103 HydrophobicContact CD1-CD1 3.92Å; W99-I103 HydrophobicContact CD2-CD1 4.05Å; W99-I103 HydrophobicContact CH2-CD1 4.38Å; W99-I103 HydrophobicContact CZ2-CD1 3.76Å; W99-I103 WeakPolarHBondContact O-CG1 3.42Å; W99-I103 PolarHBondContact O-N 2.9Å; W99-I103 VanDerWaalsContact O-N 3.16Å; Y100-I103 PolarHBondContact O-N 2.89Å; I103-S107 WeakPolarHBondContact O-CB 3.39Å; I103-S107 PolarHBondContact O-N 3.44Å; I103-S107 PolarHBondContact O-OG 2.91Å; I103-F134 HydrophobicContact CB-CE1 4.15Å; I103-F134 HydrophobicContact CB-CE2 3.91Å; I103-F134 HydrophobicContact CB-CZ 3.61Å; I103-F134 HydrophobicContact CD1-CE2 4.05Å; I103-F134 HydrophobicContact CG2-CD1 3.98Å; I103-F134 HydrophobicContact CG2-CD2 3.84Å; I103-F134 HydrophobicContact CG2-CE1 3.69Å; I103-F134 HydrophobicContact CG2-CE2 3.55Å; I103-F134 HydrophobicContact CG2-CG 4.05Å; I103-F134 HydrophobicContact CG2-CZ 3.47Å; I103-F134 VanDerWaalsContact CG2-CZ 3.47Å
104W96.3Very high96.2Very high35 Ų3537.3 Ų37.313%0.13316%0.157CC..Hα-helixtrans-60.3-48.2174.8176.692.5000112.1Y100 F102 S107 R108 H135 L154 N158Y100-W104 HydrophobicContact CE1-CB 4.07Å; Y100-W104 HydrophobicContact CE1-CG 4.19Å; Y100-W104 HydrophobicContact CE2-CB 4.22Å; Y100-W104 AromaticContact CZ-CD1 3.64Å; Y100-W104 AromaticContact CZ-CG 3.93Å; Y100-W104 WeakPolarHBondContact O-CB 3.49Å; Y100-W104 PolarHBondContact O-N 3.03Å; F102-W104 VanDerWaalsContact C-N 3.35Å; F102-W104 PolarHBondContact O-N 3.36Å; W104-S107 PolarHBondContact O-OG 3.19Å; W104-S107 VanDerWaalsContact O-OG 3.12Å; W104-R108 VanDerWaalsContact CH2-NH1 3.28Å; W104-R108 WeakPolarHBondContact O-CB 3.48Å; W104-R108 PolarHBondContact O-N 3.45Å; W104-H135 AromaticContact CD1-CE1 3.67Å; W104-L154 HydrophobicContact CH2-CD2 4.32Å; W104-L154 HydrophobicContact CZ2-CD1 4.32Å; W104-L154 HydrophobicContact CZ2-CD2 3.77Å; W104-L154 HydrophobicContact CZ2-CG 4.02Å; W104-N158 PolarHBondContact NE1-ND2 2.85Å
105D96.1Very high96.2Very high13 Ų1332.5 Ų32.57%0.0715%0.149CC..Hα-helixtrans-66.7-53.8-179.7-176.597.1000111.9Y53 D101 F102 S107 R108 A109Y53-D105 WeakPolarHBondContact CB-OD1 3.25Å; Y53-D105 PolarHBondContact N-OD2 3.34Å; D101-D105 WeakPolarHBondContact O-CB 3.32Å; D101-D105 PolarHBondContact O-N 2.97Å; F102-D105 PolarHBondContact O-N 2.83Å; D105-S107 VanDerWaalsContact C-N 3.32Å; D105-S107 PolarHBondContact O-N 3.1Å; D105-R108 CarbonylContact O-C 3.52Å; D105-R108 WeakPolarHBondContact O-CA 3.3Å; D105-R108 WeakPolarHBondContact O-CB 3.16Å; D105-R108 PolarHBondContact O-N 2.92Å; D105-A109 PolarHBondContact O-N 2.8Å
106R97.8Very high96.1Very high10 Ų1030.5 Ų30.54%0.03814%0.14CC..Hα-helixtrans-67.7-31.9-175.2-59.4-55.4-175.6-84.5-9.6112.4E31 I50 K51 L81 F102 A109 M110E31-R106 VanDerWaalsContact CD-NH2 3.33Å; E31-R106 IonicContact OE1-CZ 3.27Å; E31-R106 IonicContact OE1-NE 2.71Å; E31-R106 PolarHBondContact OE1-NE 3.4Å; E31-R106 IonicContact OE1-NH2 3.53Å; E31-R106 PolarHBondContact OE1-NH2 2.94Å; E31-R106 IonicContact OE2-CZ 3.98Å; E31-R106 IonicContact OE2-NE 3.32Å; E31-R106 IonicContact OE2-NH2 3.49Å; E31-R106 PolarHBondContact OE2-NH2 2.91Å; I50-R106 HydrophobicContact CB-CB 4.33Å; I50-R106 HydrophobicContact CB-CG 4.05Å; I50-R106 HydrophobicContact CD1-CB 4.3Å; I50-R106 HydrophobicContact CD1-CG 4.34Å; I50-R106 HydrophobicContact CG2-CB 3.96Å; I50-R106 HydrophobicContact CG2-CG 4.2Å; I50-R106 WeakPolarHBondContact O-CD 2.99Å; I50-R106 PolarHBondContact O-NE 3.17Å; K51-R106 WeakPolarHBondContact O-CD 2.92Å; L81-R106 HydrophobicContact CD1-CB 4.07Å; L81-R106 HydrophobicContact CD2-CB 3.86Å; F102-R106 HydrophobicContact CD2-CG 4.09Å; F102-R106 HydrophobicContact CE1-CG 4.32Å; F102-R106 HydrophobicContact CE2-CG 3.72Å; F102-R106 HydrophobicContact CZ-CG 3.86Å; F102-R106 WeakPolarHBondContact O-CG 3.13Å; F102-R106 PolarHBondContact O-N 2.87Å; R106-A109 WeakPolarHBondContact O-CB 3.44Å; R106-A109 PolarHBondContact O-N 3.33Å; R106-M110 PolarHBondContact O-N 3.34Å
107S97.7Very high96Very high0 Ų031.2 Ų31.20%014%0.144CC..Hα-helixtrans-71.6-35.5170.268.40000112.6I103 W104 D105 A109 M110 R111I103-S107 WeakPolarHBondContact O-CB 3.39Å; I103-S107 PolarHBondContact O-N 3.44Å; I103-S107 PolarHBondContact O-OG 2.91Å; W104-S107 PolarHBondContact O-OG 3.19Å; W104-S107 VanDerWaalsContact O-OG 3.12Å; D105-S107 VanDerWaalsContact C-N 3.32Å; D105-S107 PolarHBondContact O-N 3.1Å; S107-A109 VanDerWaalsContact C-N 3.31Å; S107-A109 PolarHBondContact O-N 3.46Å; S107-M110 PolarHBondContact O-N 3.35Å; S107-R111 WeakPolarHBondContact O-CG 3.43Å; S107-R111 PolarHBondContact O-N 2.97Å
108R96.3Very high95.8Very high44 Ų4433.6 Ų33.617%0.16616%0.161CC..Hα-helixtrans-65.2-34.1171.9-164.8177.8-171.8166.26.9111.8Y53 W104 D105 K112Y53-R108 HydrophobicContact CD1-CG 4.31Å; Y53-R108 HydrophobicContact CD2-CB 4.17Å; Y53-R108 HydrophobicContact CD2-CG 3.69Å; Y53-R108 HydrophobicContact CE1-CG 4.42Å; Y53-R108 HydrophobicContact CE2-CG 3.81Å; Y53-R108 HydrophobicContact CG-CB 4.18Å; Y53-R108 HydrophobicContact CG-CG 3.97Å; W104-R108 VanDerWaalsContact CH2-NH1 3.28Å; W104-R108 WeakPolarHBondContact O-CB 3.48Å; W104-R108 PolarHBondContact O-N 3.45Å; D105-R108 CarbonylContact O-C 3.52Å; D105-R108 WeakPolarHBondContact O-CA 3.3Å; D105-R108 WeakPolarHBondContact O-CB 3.16Å; D105-R108 PolarHBondContact O-N 2.92Å; R108-K112 WeakPolarHBondContact O-CB 3.47Å; R108-K112 PolarHBondContact O-N 2.93Å
109A96.3Very high95.6Very high3 Ų325.9 Ų25.93%0.02514%0.136CC..Hα-helixtrans-62.6-49.3171.600000111.9K51 D105 R106 S107 R111 K112 E113K51-A109 WeakPolarHBondContact O-CB 3.44Å; D105-A109 PolarHBondContact O-N 2.8Å; R106-A109 WeakPolarHBondContact O-CB 3.44Å; R106-A109 PolarHBondContact O-N 3.33Å; S107-A109 VanDerWaalsContact C-N 3.31Å; S107-A109 PolarHBondContact O-N 3.46Å; A109-R111 PolarHBondContact O-N 3.16Å; A109-K112 WeakPolarHBondContact O-CB 3.25Å; A109-K112 PolarHBondContact O-N 3.48Å; A109-E113 PolarHBondContact O-N 3.47Å; A109-E113 VanDerWaalsContact O-N 3.09Å
110M97.9Very high95.3Very high0 Ų029.4 Ų29.40%015%0.152CC..Hα-helixtrans-60-44.7175.2-70.6-174.3-69.900112.2L74 A77 M78 L81 F82 R106 S107 K112 E113 I114 I127L74-M110 HydrophobicContact CD2-CB 4.34Å; L74-M110 HydrophobicContact CD2-CG 4.1Å; A77-M110 HydrophobicContact CB-SD 3.88Å; M78-M110 HydrophobicContact CB-SD 4.3Å; L81-M110 HydrophobicContact CD2-CE 3.62Å; F82-M110 HydrophobicContact CE2-CE 3.99Å; R106-M110 PolarHBondContact O-N 3.34Å; S107-M110 PolarHBondContact O-N 3.35Å; M110-K112 VanDerWaalsContact C-N 3.33Å; M110-K112 PolarHBondContact O-N 3.11Å; M110-E113 PolarHBondContact O-N 2.68Å; M110-I114 WeakPolarHBondContact O-CG1 3.37Å; M110-I114 PolarHBondContact O-N 2.94Å; M110-I127 HydrophobicContact CB-CG2 4.03Å; M110-I127 HydrophobicContact CE-CG2 4.5Å; M110-I127 HydrophobicContact SD-CD1 4.32Å; M110-I127 HydrophobicContact SD-CG2 4.47Å
111R97.1Very high95.2Very high23 Ų2331 Ų319%0.08716%0.161CC..Hα-helixtrans-61.1-39.1176-72.8-175.6-70.2134.62.5112.8S107 A109 I114 T115 L128 H135 N158 S162S107-R111 WeakPolarHBondContact O-CG 3.43Å; S107-R111 PolarHBondContact O-N 2.97Å; A109-R111 PolarHBondContact O-N 3.16Å; R111-I114 PolarHBondContact O-N 2.94Å; R111-T115 PolarHBondContact O-N 2.93Å; R111-T115 VanDerWaalsContact O-N 3.15Å; R111-T115 PolarHBondContact O-OG1 3.12Å; R111-L128 HydrophobicContact CG-CD2 3.9Å; R111-H135 PolarHBondContact NH2-NE2 3.22Å; R111-N158 PolarHBondContact NH1-O 2.99Å; R111-N158 PolarHBondContact NH1-OD1 3.42Å; R111-N158 PolarHBondContact NH2-OD1 2.84Å; R111-S162 WeakPolarHBondContact CD-OG 3.3Å; R111-S162 PolarHBondContact NE-OG 3.3Å; R111-S162 PolarHBondContact NH1-OG 3.36Å
112K94.4Very high95.1Very high43 Ų4331.5 Ų31.519%0.18717%0.168CC..Hα-helixtrans-60.1-46.2174.3-165-163.2-178.2-177.80110.8Y53 T54 S56 R108 A109 M110 T115 Q116Y53-K112 HydrophobicContact CD2-CB 4.39Å; Y53-K112 HydrophobicContact CD2-CD 4.29Å; Y53-K112 HydrophobicContact CE2-CB 4.32Å; Y53-K112 HydrophobicContact CE2-CD 4.02Å; Y53-K112 HydrophobicContact CE2-CG 4.36Å; T54-K112 PolarHBondContact O-NZ 3.15Å; S56-K112 VanDerWaalsContact OG-CE 3.29Å; S56-K112 WeakPolarHBondContact OG-CE 3.42Å; S56-K112 PolarHBondContact OG-NZ 2.71Å; R108-K112 WeakPolarHBondContact O-CB 3.47Å; R108-K112 PolarHBondContact O-N 2.93Å; A109-K112 WeakPolarHBondContact O-CB 3.25Å; A109-K112 PolarHBondContact O-N 3.48Å; M110-K112 VanDerWaalsContact C-N 3.33Å; M110-K112 PolarHBondContact O-N 3.11Å; K112-T115 PolarHBondContact O-N 3.23Å; K112-Q116 VanDerWaalsContact CE-OE1 3.22Å; K112-Q116 WeakPolarHBondContact O-CG 3.47Å; K112-Q116 PolarHBondContact O-N 3.3Å
113E95.5Very high95Very high2 Ų231.6 Ų31.61%0.00917%0.169CC..Hα-helixtrans-65.6-42.8178.9-69.5-176.8115.700112.8K51 F68 R69 A109 M110 T115 Q116 L117K51-E113 VanDerWaalsContact CD-OE1 3.31Å; K51-E113 WeakPolarHBondContact CD-OE1 3.3Å; K51-E113 IonicContact NZ-OE1 3.84Å; K51-E113 PolarHBondContact NZ-OE1 3.49Å; F68-E113 HydrophobicContact CD1-CB 4.46Å; F68-E113 HydrophobicContact CD1-CG 4.04Å; F68-E113 HydrophobicContact CE1-CG 4.4Å; R69-E113 IonicContact CZ-OE2 3.49Å; R69-E113 PolarHBondContact N-OE1 2.88Å; R69-E113 VanDerWaalsContact N-OE1 3.08Å; R69-E113 IonicContact NE-OE2 3Å; R69-E113 PolarHBondContact NE-OE2 2.84Å; R69-E113 IonicContact NH2-OE2 3.9Å; R69-E113 PolarHBondContact NH2-OE2 2.99Å; A109-E113 PolarHBondContact O-N 3.47Å; A109-E113 VanDerWaalsContact O-N 3.09Å; M110-E113 PolarHBondContact O-N 2.68Å; E113-T115 PolarHBondContact O-N 2.94Å; E113-Q116 PolarHBondContact O-N 3.17Å; E113-Q116 VanDerWaalsContact O-N 3.08Å; E113-L117 WeakPolarHBondContact O-CB 3.47Å; E113-L117 VanDerWaalsContact O-CG 3.3Å; E113-L117 WeakPolarHBondContact O-CG 3.35Å; E113-L117 PolarHBondContact O-N 2.8Å
114I95.6Very high95Very high8 Ų831.7 Ų31.74%0.04117%0.17CC..Hα-helixtrans-53.7-43.5173.8-72.2164000110.9M110 R111 C118 A119 A124 I127 L128M110-I114 WeakPolarHBondContact O-CG1 3.37Å; M110-I114 PolarHBondContact O-N 2.94Å; R111-I114 PolarHBondContact O-N 2.94Å; I114-C118 PolarHBondContact O-N 2.72Å; I114-A119 HydrophobicContact CG2-CB 4.34Å; I114-A119 PolarHBondContact O-N 3Å; I114-A124 HydrophobicContact CD1-CB 4.19Å; I114-A124 HydrophobicContact CG1-CB 4.16Å; I114-A124 HydrophobicContact CG2-CB 3.8Å; I114-I127 HydrophobicContact CD1-CB 3.89Å; I114-I127 HydrophobicContact CD1-CD1 4.08Å; I114-I127 HydrophobicContact CD1-CG2 3.7Å; I114-L128 HydrophobicContact CD1-CG 4.43Å; I114-L128 HydrophobicContact CG2-CD1 4.35Å
115T93Very high95.1Very high94 Ų9430.6 Ų30.658%0.57717%0.167SC*.Hα-helixtrans-68.7-42.5175.8-55.80000112.4R111 K112 E113 L117 C118R111-T115 PolarHBondContact O-N 2.93Å; R111-T115 VanDerWaalsContact O-N 3.15Å; R111-T115 PolarHBondContact O-OG1 3.12Å; K112-T115 PolarHBondContact O-N 3.23Å; E113-T115 PolarHBondContact O-N 2.94Å; T115-L117 VanDerWaalsContact C-N 3.35Å; T115-L117 PolarHBondContact O-N 2.85Å; T115-C118 PolarHBondContact O-N 2.84Å
116Q92Very high95.1Very high60 Ų6031.7 Ų31.728%0.2818%0.175SC..Hα-helixtrans-69.6-30.2-179.2-71.8-174.1-9700113.4P5 F68 K112 E113 C118P5-Q116 WeakPolarHBondContact CG-O 3.28Å; F68-Q116 HydrophobicContact CE1-CB 3.62Å; F68-Q116 HydrophobicContact CE1-CG 4.32Å; F68-Q116 HydrophobicContact CZ-CB 3.85Å; F68-Q116 HydrophobicContact CZ-CG 4.49Å; K112-Q116 VanDerWaalsContact CE-OE1 3.22Å; K112-Q116 WeakPolarHBondContact O-CG 3.47Å; K112-Q116 PolarHBondContact O-N 3.3Å; E113-Q116 PolarHBondContact O-N 3.17Å; E113-Q116 VanDerWaalsContact O-N 3.08Å; Q116-C118 VanDerWaalsContact C-N 3.34Å
117L92.4Very high95.1Very high20 Ų2031.2 Ų31.211%0.10517%0.174CC..THydrogen-bonded Turntrans-85.3-3.6175.9-65171.1000113.2I4 P5 F68 L74 E113 T115 A119I4-L117 WeakPolarHBondContact CG2-O 3.4Å; P5-L117 HydrophobicContact CB-CD2 4.45Å; P5-L117 HydrophobicContact CG-CD2 4.4Å; P5-L117 VanDerWaalsContact O-CD2 3.26Å; P5-L117 WeakPolarHBondContact O-CD2 3.18Å; F68-L117 HydrophobicContact CB-CD2 4.1Å; F68-L117 HydrophobicContact CD1-CD2 4.2Å; F68-L117 HydrophobicContact CD1-CG 4.29Å; F68-L117 HydrophobicContact CD2-CD2 4.44Å; F68-L117 HydrophobicContact CG-CD2 4.01Å; L74-L117 HydrophobicContact CD1-CD1 4.45Å; E113-L117 WeakPolarHBondContact O-CB 3.47Å; E113-L117 VanDerWaalsContact O-CG 3.3Å; E113-L117 WeakPolarHBondContact O-CG 3.35Å; E113-L117 PolarHBondContact O-N 2.8Å; T115-L117 VanDerWaalsContact C-N 3.35Å; T115-L117 PolarHBondContact O-N 2.85Å; L117-A119 HydrophobicContact CB-CB 4.21Å; L117-A119 PolarHBondContact O-N 3.39Å
118C91.9Very high95.2Very high71 Ų7131.3 Ų31.348%0.4817%0.174SC..THydrogen-bonded Turntrans49.638.9-169.4-58.60000112.7I4 I114 T115 Q116 H120I4-C118 HydrophobicContact CG2-CB 4.26Å; I114-C118 PolarHBondContact O-N 2.72Å; T115-C118 PolarHBondContact O-N 2.84Å; Q116-C118 VanDerWaalsContact C-N 3.34Å; C118-H120 PolarHBondContact O-CD2 3.5Å; C118-H120 PolarHBondContact O-N 3.09Å
119A91Very high95.3Very high18 Ų1829.7 Ų29.715%0.14917%0.169CC..  trans-78.3105.5-168.300000111.8I114 L117 A124I114-A119 HydrophobicContact CG2-CB 4.34Å; I114-A119 PolarHBondContact O-N 3Å; L117-A119 HydrophobicContact CB-CB 4.21Å; L117-A119 PolarHBondContact O-N 3.39Å; A119-A124 HydrophobicContact CB-CB 4.29Å; A119-A124 WeakPolarHBondContact O-CB 3.49Å
120H92.1Very high95.4Very high75 Ų7530.7 Ų30.735%0.34717%0.172SC..  trans-111.567.1173.8-58-60.4000110.4C118 T169 M172 L173C118-H120 PolarHBondContact O-CD2 3.5Å; C118-H120 PolarHBondContact O-N 3.09Å; H120-T169 HydrophobicContact CB-CG2 4.37Å; H120-T169 PolarHBondContact ND1-OG1 3.03Å; H120-M172 HydrophobicContact CB-CB 4.04Å; H120-L173 WeakPolarHBondContact O-CD2 3.26Å
121N93.6Very high95.4Very high44 Ų4430.7 Ų30.724%0.23517%0.172CC..SBendtrans-129.5176.2-179.664.3-0.3000111.7E71 C123 A124 V125E71-N121 PolarHBondContact OE1-ND2 3.46Å; E71-N121 PolarHBondContact OE2-ND2 3.26Å; N121-C123 VanDerWaalsContact C-N 3.34Å; N121-C123 PolarHBondContact O-N 3.27Å; N121-A124 PolarHBondContact O-N 3.33Å; N121-A124 WeakPolarHBondContact OD1-CB 3.17Å; N121-A124 PolarHBondContact OD1-N 3.35Å; N121-V125 PolarHBondContact O-N 3.17Å; N121-V125 VanDerWaalsContact O-N 3.16Å
122T94.6Very high95.5Very high92 Ų9229.6 Ų29.656%0.56417%0.167SC*.Hα-helixtrans-66.7-31.1-179.348.20000113.1S126T122-S126 VanDerWaalsContact O-CB 3.31Å; T122-S126 WeakPolarHBondContact O-CB 3.35Å; T122-S126 PolarHBondContact O-N 3.24Å
123C96Very high95.6Very high9 Ų927.6 Ų27.66%0.06116%0.159CC..Hα-helixtrans-63.7-46.8171.3-1790000112E71 T75 N121 V125 S126 I127E71-C123 HydrophobicContact CG-CB 3.61Å; E71-C123 WeakPolarHBondContact OE1-CB 3.3Å; T75-C123 PolarHBondContact OG1-SG 3.36Å; T75-C123 VanDerWaalsContact OG1-SG 3.38Å; N121-C123 VanDerWaalsContact C-N 3.34Å; N121-C123 PolarHBondContact O-N 3.27Å; C123-V125 VanDerWaalsContact C-N 3.32Å; C123-V125 PolarHBondContact O-N 2.95Å; C123-S126 PolarHBondContact O-N 3.16Å; C123-S126 VanDerWaalsContact O-N 3.12Å; C123-I127 WeakPolarHBondContact O-CG1 3.48Å; C123-I127 PolarHBondContact O-N 3.32Å
124A97Very high95.7Very high1 Ų127.5 Ų27.51%0.00816%0.158CC..Hα-helixtrans-58.4-43.1176.600000112I114 A119 N121 L128I114-A124 HydrophobicContact CD1-CB 4.19Å; I114-A124 HydrophobicContact CG1-CB 4.16Å; I114-A124 HydrophobicContact CG2-CB 3.8Å; A119-A124 HydrophobicContact CB-CB 4.29Å; A119-A124 WeakPolarHBondContact O-CB 3.49Å; N121-A124 PolarHBondContact O-N 3.33Å; N121-A124 WeakPolarHBondContact OD1-CB 3.17Å; N121-A124 PolarHBondContact OD1-N 3.35Å; A124-L128 VanDerWaalsContact O-CB 3.28Å; A124-L128 WeakPolarHBondContact O-CB 3.45Å; A124-L128 WeakPolarHBondContact O-CD1 3.31Å; A124-L128 VanDerWaalsContact O-CG 3.26Å; A124-L128 WeakPolarHBondContact O-CG 3.4Å; A124-L128 PolarHBondContact O-N 2.76Å
125V98Very high95.8Very high12 Ų1227.2 Ų27.27%0.07316%0.157CC..Hα-helixtrans-57.2-54.9170.4168.10000111.1N121 C123 I127 L128 E129 L166 T169 Y170 L173N121-V125 PolarHBondContact O-N 3.17Å; N121-V125 VanDerWaalsContact O-N 3.16Å; C123-V125 VanDerWaalsContact C-N 3.32Å; C123-V125 PolarHBondContact O-N 2.95Å; V125-I127 PolarHBondContact O-N 3.02Å; V125-I127 VanDerWaalsContact O-N 3.15Å; V125-L128 PolarHBondContact O-N 2.71Å; V125-E129 HydrophobicContact CG1-CG 4.05Å; V125-E129 VanDerWaalsContact CG1-OE1 3.3Å; V125-E129 WeakPolarHBondContact CG1-OE1 3.36Å; V125-E129 WeakPolarHBondContact O-CB 3.15Å; V125-E129 WeakPolarHBondContact O-CG 3.21Å; V125-E129 PolarHBondContact O-N 2.67Å; V125-L166 HydrophobicContact CG1-CD1 4.27Å; V125-L166 HydrophobicContact CG2-CD1 4.47Å; V125-T169 HydrophobicContact CG2-CG2 3.74Å; V125-Y170 HydrophobicContact CG1-CD1 4.47Å; V125-Y170 HydrophobicContact CG1-CE1 3.63Å; V125-Y170 HydrophobicContact CG2-CD1 4.11Å; V125-Y170 HydrophobicContact CG2-CE1 4.07Å; V125-L173 HydrophobicContact CG2-CD1 3.48Å; V125-L173 VanDerWaalsContact CG2-CD1 3.48Å
126S97.1Very high96Very high36 Ų3622.9 Ų22.925%0.25213%0.13SC..Hα-helixtrans-57.5-32.8-175.7-163.40000113.4T122 C123 R130T122-S126 VanDerWaalsContact O-CB 3.31Å; T122-S126 WeakPolarHBondContact O-CB 3.35Å; T122-S126 PolarHBondContact O-N 3.24Å; C123-S126 PolarHBondContact O-N 3.16Å; C123-S126 VanDerWaalsContact O-N 3.12Å; S126-R130 WeakPolarHBondContact O-CD 3.38Å; S126-R130 WeakPolarHBondContact O-CG 3.5Å; S126-R130 PolarHBondContact O-NH1 3.24Å; S126-R130 PolarHBondContact OG-NH1 3.28Å
127I98.3Very high96.1Very high0 Ų020.8 Ų20.80%012%0.12CC..Hα-helixtrans-75.4-50.8173-67.7169.1000111.2L74 M78 M110 I114 C123 V125 E129 R130 C131L74-I127 HydrophobicContact CB-CD1 3.95Å; L74-I127 HydrophobicContact CD2-CD1 4.46Å; M78-I127 HydrophobicContact CB-CD1 4.39Å; M78-I127 HydrophobicContact CB-CG1 3.88Å; M78-I127 HydrophobicContact CG-CG1 3.77Å; M78-I127 HydrophobicContact SD-CB 4.46Å; M78-I127 HydrophobicContact SD-CG1 3.59Å; M78-I127 VanDerWaalsContact SD-CG1 3.59Å; M110-I127 HydrophobicContact CB-CG2 4.03Å; M110-I127 HydrophobicContact CE-CG2 4.5Å; M110-I127 HydrophobicContact SD-CD1 4.32Å; M110-I127 HydrophobicContact SD-CG2 4.47Å; I114-I127 HydrophobicContact CD1-CB 3.89Å; I114-I127 HydrophobicContact CD1-CD1 4.08Å; I114-I127 HydrophobicContact CD1-CG2 3.7Å; C123-I127 WeakPolarHBondContact O-CG1 3.48Å; C123-I127 PolarHBondContact O-N 3.32Å; V125-I127 PolarHBondContact O-N 3.02Å; V125-I127 VanDerWaalsContact O-N 3.15Å; I127-E129 PolarHBondContact O-N 2.78Å; I127-R130 PolarHBondContact O-N 3.22Å; I127-C131 PolarHBondContact O-N 3.04Å; I127-C131 PolarHBondContact O-SG 2.89Å
128L98.4Very high96.2Very high2 Ų219.8 Ų19.81%0.0112%0.115CC..Hα-helixtrans-63.8-38.5-176.2-78.3167.9000112.4R111 I114 A124 V125 C131 V132 L166R111-L128 HydrophobicContact CG-CD2 3.9Å; I114-L128 HydrophobicContact CD1-CG 4.43Å; I114-L128 HydrophobicContact CG2-CD1 4.35Å; A124-L128 VanDerWaalsContact O-CB 3.28Å; A124-L128 WeakPolarHBondContact O-CB 3.45Å; A124-L128 WeakPolarHBondContact O-CD1 3.31Å; A124-L128 VanDerWaalsContact O-CG 3.26Å; A124-L128 WeakPolarHBondContact O-CG 3.4Å; A124-L128 PolarHBondContact O-N 2.76Å; V125-L128 PolarHBondContact O-N 2.71Å; L128-C131 WeakPolarHBondContact O-CB 3.48Å; L128-C131 PolarHBondContact O-N 3.28Å; L128-V132 WeakPolarHBondContact O-CG2 3.25Å; L128-V132 PolarHBondContact O-N 3.38Å; L128-L166 HydrophobicContact CB-CB 4.11Å; L128-L166 HydrophobicContact CB-CD1 3.88Å; L128-L166 HydrophobicContact CB-CG 4.44Å
129E98.3Very high96.2Very high11 Ų1117.5 Ų17.55%0.05110%0.103CC..Hα-helixtrans-56.8-50.9172.5-73.9-165.1-166.500111.5V125 I127 C131 V132 R133 L166 Y170 N182 F186V125-E129 HydrophobicContact CG1-CG 4.05Å; V125-E129 VanDerWaalsContact CG1-OE1 3.3Å; V125-E129 WeakPolarHBondContact CG1-OE1 3.36Å; V125-E129 WeakPolarHBondContact O-CB 3.15Å; V125-E129 WeakPolarHBondContact O-CG 3.21Å; V125-E129 PolarHBondContact O-N 2.67Å; I127-E129 PolarHBondContact O-N 2.78Å; E129-C131 VanDerWaalsContact C-N 3.34Å; E129-C131 PolarHBondContact O-N 2.98Å; E129-V132 PolarHBondContact O-N 3.12Å; E129-R133 WeakPolarHBondContact O-CG 3.27Å; E129-R133 PolarHBondContact O-N 3.34Å; E129-R133 IonicContact OE2-CZ 3.66Å; E129-R133 IonicContact OE2-NH1 2.72Å; E129-R133 PolarHBondContact OE2-NH1 2.92Å; E129-R133 IonicContact OE2-NH2 3.46Å; E129-R133 PolarHBondContact OE2-NH2 3.32Å; E129-L166 HydrophobicContact CG-CD1 4.03Å; E129-L166 HydrophobicContact CG-CD2 3.97Å; E129-Y170 PolarHBondContact OE1-OH 2.99Å; E129-N182 PolarHBondContact OE2-ND2 2.77Å; E129-F186 HydrophobicContact CB-CE1 4.26Å; E129-F186 HydrophobicContact CB-CE2 3.93Å; E129-F186 HydrophobicContact CB-CZ 3.52Å; E129-F186 VanDerWaalsContact CD-CE2 3.43Å; E129-F186 HydrophobicContact CG-CD2 4.13Å; E129-F186 HydrophobicContact CG-CE1 4.35Å; E129-F186 HydrophobicContact CG-CE2 3.4Å; E129-F186 VanDerWaalsContact CG-CE2 3.4Å; E129-F186 HydrophobicContact CG-CZ 3.54Å
130R98.3Very high96.1Very high23 Ų2317.4 Ų17.49%0.08710%0.099CC..Hα-helixtrans-62-40.3177.7-75.9171.4173.371.88.6112.1F82 S126 I127 V132 R133 F134 N332F82-R130 HydrophobicContact CD1-CB 4.06Å; F82-R130 HydrophobicContact CD2-CB 3.8Å; F82-R130 HydrophobicContact CD2-CG 4.37Å; F82-R130 HydrophobicContact CE1-CB 4.06Å; F82-R130 HydrophobicContact CE2-CB 3.78Å; F82-R130 HydrophobicContact CG-CB 3.93Å; F82-R130 HydrophobicContact CG-CG 4.3Å; F82-R130 HydrophobicContact CZ-CB 3.91Å; S126-R130 WeakPolarHBondContact O-CD 3.38Å; S126-R130 WeakPolarHBondContact O-CG 3.5Å; S126-R130 PolarHBondContact O-NH1 3.24Å; S126-R130 PolarHBondContact OG-NH1 3.28Å; I127-R130 PolarHBondContact O-N 3.22Å; R130-V132 PolarHBondContact O-N 3.21Å; R130-R133 PolarHBondContact O-N 3.36Å; R130-F134 WeakPolarHBondContact O-CB 3.39Å; R130-F134 PolarHBondContact O-N 3.21Å; R130-N332 PolarHBondContact NE-OD1 3.01Å; R130-N332 PolarHBondContact NH2-O 3.38Å; R130-N332 VanDerWaalsContact NH2-O 3.09Å; R130-N332 PolarHBondContact NH2-OD1 2.97Å
131C98.4Very high95.9Very high0 Ų017 Ų170%09%0.094CC..Hα-helixtrans-59.4-46.5174.2-63.30000111.4I127 L128 E129 F134 H135I127-C131 PolarHBondContact O-N 3.04Å; I127-C131 PolarHBondContact O-SG 2.89Å; L128-C131 WeakPolarHBondContact O-CB 3.48Å; L128-C131 PolarHBondContact O-N 3.28Å; E129-C131 VanDerWaalsContact C-N 3.34Å; E129-C131 PolarHBondContact O-N 2.98Å; C131-F134 PolarHBondContact O-N 2.99Å; C131-H135 PolarHBondContact O-CD2 3.32Å; C131-H135 PolarHBondContact O-N 2.85Å
132V98.5Very high95.8Very high0 Ų014.9 Ų14.90%08%0.083CC..Hα-helixtrans-64.1-51177.9168.60000111.2L128 E129 R130 F134 H135 I136 L159 L163 L166 F186 Y189L128-V132 WeakPolarHBondContact O-CG2 3.25Å; L128-V132 PolarHBondContact O-N 3.38Å; E129-V132 PolarHBondContact O-N 3.12Å; R130-V132 PolarHBondContact O-N 3.21Å; V132-F134 VanDerWaalsContact C-N 3.28Å; V132-F134 PolarHBondContact O-N 3.46Å; V132-H135 PolarHBondContact O-N 2.87Å; V132-I136 HydrophobicContact CG1-CD1 3.87Å; V132-I136 HydrophobicContact CG1-CG1 4.48Å; V132-I136 WeakPolarHBondContact O-CG1 3.21Å; V132-I136 PolarHBondContact O-N 3.39Å; V132-L159 HydrophobicContact CB-CD1 4.36Å; V132-L159 HydrophobicContact CG1-CD1 3.7Å; V132-L163 HydrophobicContact CG1-CD1 4.39Å; V132-L163 HydrophobicContact CG2-CB 3.94Å; V132-L163 HydrophobicContact CG2-CD1 4.37Å; V132-L166 HydrophobicContact CG2-CD2 4.35Å; V132-F186 HydrophobicContact CB-CD1 4.03Å; V132-F186 HydrophobicContact CB-CE1 3.75Å; V132-F186 HydrophobicContact CG1-CD1 3.62Å; V132-F186 HydrophobicContact CG1-CE1 3.61Å; V132-Y189 HydrophobicContact CG1-CD2 4.1Å
133R98Very high95.3Very high2 Ų211.7 Ų11.71%0.0086%0.064CC..Hα-helixtrans-59.5-39.3178.9-63-166.6-167.399.52.2111.5E129 R130 Y137 N182 E185 F186 L246 V330 I331E129-R133 WeakPolarHBondContact O-CG 3.27Å; E129-R133 PolarHBondContact O-N 3.34Å; E129-R133 IonicContact OE2-CZ 3.66Å; E129-R133 IonicContact OE2-NH1 2.72Å; E129-R133 PolarHBondContact OE2-NH1 2.92Å; E129-R133 IonicContact OE2-NH2 3.46Å; E129-R133 PolarHBondContact OE2-NH2 3.32Å; R130-R133 PolarHBondContact O-N 3.36Å; R133-Y137 PolarHBondContact O-N 2.87Å; R133-N182 PolarHBondContact NH2-ND2 3.43Å; R133-E185 IonicContact CZ-OE1 2.75Å; R133-E185 IonicContact CZ-OE2 3.43Å; R133-E185 IonicContact NE-OE1 3.21Å; R133-E185 PolarHBondContact NE-OE1 3.46Å; R133-E185 IonicContact NE-OE2 3.24Å; R133-E185 PolarHBondContact NE-OE2 3.41Å; R133-E185 IonicContact NH2-OE1 3.37Å; R133-E185 IonicContact NH2-OE2 2.73Å; R133-E185 PolarHBondContact NH2-OE2 3.25Å; R133-F186 HydrophobicContact CG-CE1 4.05Å; R133-F186 HydrophobicContact CG-CZ 3.94Å; R133-F186 VanDerWaalsContact CZ-CZ 3.49Å; R133-L246 HydrophobicContact CB-CD1 3.7Å; R133-L246 HydrophobicContact CG-CD1 3.58Å; R133-V330 WeakPolarHBondContact CD-O 3Å; R133-I331 HydrophobicContact CB-CB 4.32Å; R133-I331 HydrophobicContact CB-CG1 4.25Å; R133-I331 HydrophobicContact CB-CG2 4.31Å; R133-I331 WeakPolarHBondContact CD-O 3.38Å; R133-I331 PolarHBondContact NH1-O 3.2Å
134F97.9Very high94.5Very high0 Ų016 Ų160%08%0.084CC..Hα-helixtrans-63.3-48.5174.1173.8-100.9000112.8F82 L86 W99 Y100 I103 R130 C131 V132 I136 Y137 A138 I331F82-F134 HydrophobicContact CE1-CB 3.99Å; F82-F134 HydrophobicContact CE1-CG 4.32Å; L86-F134 HydrophobicContact CD1-CD2 3.84Å; L86-F134 HydrophobicContact CD1-CE2 4.21Å; W99-F134 AromaticContact CH2-CE2 3.98Å; W99-F134 HydrophobicContact CH2-CE2 3.98Å; W99-F134 HydrophobicContact CZ3-CE2 4.02Å; Y100-F134 AromaticContact CD2-CE1 3.94Å; Y100-F134 HydrophobicContact CD2-CE1 3.94Å; Y100-F134 AromaticContact CD2-CZ 3.62Å; Y100-F134 HydrophobicContact CD2-CZ 3.62Å; Y100-F134 AromaticContact CE2-CE1 3.92Å; Y100-F134 HydrophobicContact CE2-CE1 3.92Å; Y100-F134 HydrophobicContact CE2-CZ 4.09Å; I103-F134 HydrophobicContact CB-CE1 4.15Å; I103-F134 HydrophobicContact CB-CE2 3.91Å; I103-F134 HydrophobicContact CB-CZ 3.61Å; I103-F134 HydrophobicContact CD1-CE2 4.05Å; I103-F134 HydrophobicContact CG2-CD1 3.98Å; I103-F134 HydrophobicContact CG2-CD2 3.84Å; I103-F134 HydrophobicContact CG2-CE1 3.69Å; I103-F134 HydrophobicContact CG2-CE2 3.55Å; I103-F134 HydrophobicContact CG2-CG 4.05Å; I103-F134 HydrophobicContact CG2-CZ 3.47Å; I103-F134 VanDerWaalsContact CG2-CZ 3.47Å; R130-F134 WeakPolarHBondContact O-CB 3.39Å; R130-F134 PolarHBondContact O-N 3.21Å; C131-F134 PolarHBondContact O-N 2.99Å; V132-F134 VanDerWaalsContact C-N 3.28Å; V132-F134 PolarHBondContact O-N 3.46Å; F134-I136 VanDerWaalsContact C-N 3.3Å; F134-I136 PolarHBondContact O-N 3.25Å; F134-Y137 PolarHBondContact O-N 3.42Å; F134-A138 HydrophobicContact CE1-CB 4.44Å; F134-A138 HydrophobicContact CZ-CB 4.36Å; F134-A138 VanDerWaalsContact O-CB 3.29Å; F134-A138 WeakPolarHBondContact O-CB 3.48Å; F134-A138 PolarHBondContact O-N 3.39Å; F134-I331 HydrophobicContact CB-CD1 4.41Å; F134-I331 HydrophobicContact CB-CG2 4.1Å; F134-I331 HydrophobicContact CD2-CD1 4.26Å
135H97.6Very high93.9Very high1 Ų117.4 Ų17.41%0.0059%0.09CC..Hα-helixtrans-65.7-32.2179.8-68.5-55.3000112.7W104 R111 C131 V132 G139 N155 L159W104-H135 AromaticContact CD1-CE1 3.67Å; R111-H135 PolarHBondContact NH2-NE2 3.22Å; C131-H135 PolarHBondContact O-CD2 3.32Å; C131-H135 PolarHBondContact O-N 2.85Å; V132-H135 PolarHBondContact O-N 2.87Å; H135-G139 PolarHBondContact O-N 3.35Å; H135-N155 PolarHBondContact ND1-OD1 3.47Å; H135-N155 PolarHBondContact O-ND2 2.88Å; H135-L159 HydrophobicContact CB-CB 3.8Å; H135-L159 HydrophobicContact CB-CD1 4.31Å
136I95.6Very high93.1Very high4 Ų422 Ų222%0.02111%0.11CC..Hα-helixtrans-63-52170.5-65.3169.7000110.4V132 F134 G139 Y140 L159 Y189 L246 C249 L250V132-I136 HydrophobicContact CG1-CD1 3.87Å; V132-I136 HydrophobicContact CG1-CG1 4.48Å; V132-I136 WeakPolarHBondContact O-CG1 3.21Å; V132-I136 PolarHBondContact O-N 3.39Å; F134-I136 VanDerWaalsContact C-N 3.3Å; F134-I136 PolarHBondContact O-N 3.25Å; I136-G139 PolarHBondContact O-N 3.02Å; I136-Y140 PolarHBondContact O-N 2.95Å; I136-L159 HydrophobicContact CD1-CD1 4.27Å; I136-L159 HydrophobicContact CG1-CD1 3.68Å; I136-L159 HydrophobicContact CG1-CD2 3.98Å; I136-Y189 HydrophobicContact CD1-CD1 3.75Å; I136-Y189 HydrophobicContact CD1-CD2 3.59Å; I136-Y189 HydrophobicContact CD1-CE1 3.99Å; I136-Y189 HydrophobicContact CD1-CE2 3.86Å; I136-Y189 HydrophobicContact CD1-CG 3.57Å; I136-L246 HydrophobicContact CB-CD2 4.19Å; I136-L246 HydrophobicContact CG2-CB 4.09Å; I136-L246 HydrophobicContact CG2-CD2 3.79Å; I136-L246 VanDerWaalsContact CG2-O 3.26Å; I136-L246 WeakPolarHBondContact CG2-O 3.32Å; I136-C249 HydrophobicContact CG2-CB 3.82Å; I136-L250 HydrophobicContact CD1-CD2 4.36Å; I136-L250 HydrophobicContact CG1-CD1 4.27Å; I136-L250 HydrophobicContact CG2-CB 3.95Å
137Y94.4Very high92.4Very high15 Ų1525.6 Ų25.66%0.05912%0.124CC..Hα-helixtrans-60.5-48.6179174.1-107.8000111.8E89 W99 R133 F134 G139 Y140 R141 F245 H327 I331E89-Y137 VanDerWaalsContact OE2-CE1 3.23Å; E89-Y137 WeakPolarHBondContact OE2-CE1 3.22Å; E89-Y137 VanDerWaalsContact OE2-CZ 3.32Å; E89-Y137 PolarHBondContact OE2-OH 2.99Å; W99-Y137 HydrophobicContact CH2-CE1 4.12Å; R133-Y137 PolarHBondContact O-N 2.87Å; F134-Y137 PolarHBondContact O-N 3.42Å; Y137-G139 PolarHBondContact O-N 3.01Å; Y137-Y140 PolarHBondContact O-N 3.48Å; Y137-R141 HydrophobicContact CD1-CB 4.29Å; Y137-R141 HydrophobicContact CD2-CB 4.45Å; Y137-R141 HydrophobicContact CE1-CB 3.9Å; Y137-R141 HydrophobicContact CE1-CG 3.88Å; Y137-R141 HydrophobicContact CE2-CB 4.07Å; Y137-R141 HydrophobicContact CE2-CG 4.4Å; Y137-R141 WeakPolarHBondContact O-CB 3.39Å; Y137-R141 PolarHBondContact O-N 3.18Å; Y137-R141 WeakPolarHBondContact OH-CD 3.42Å; Y137-F245 HydrophobicContact CD2-CE1 4Å; Y137-F245 HydrophobicContact CD2-CZ 4Å; Y137-F245 HydrophobicContact CE2-CZ 4.15Å; Y137-H327 HydrophobicContact CD1-CB 4.2Å; Y137-H327 HydrophobicContact CD2-CB 4.1Å; Y137-H327 HydrophobicContact CE1-CB 3.77Å; Y137-H327 HydrophobicContact CE2-CB 3.67Å; Y137-H327 HydrophobicContact CG-CB 4.35Å; Y137-H327 VanDerWaalsContact CZ-CB 3.48Å; Y137-H327 AromaticContact CZ-CG 3.91Å; Y137-I331 HydrophobicContact CD1-CD1 3.81Å; Y137-I331 HydrophobicContact CG-CD1 3.98Å
138A94.1Very high91.8Very high0 Ų032.8 Ų32.80%016%0.158CC..Hα-helixtrans-60.6-42.7-179.600000112.3Y100 F134 Y140 R141 L142Y100-A138 HydrophobicContact CD2-CB 3.67Å; Y100-A138 HydrophobicContact CE2-CB 3.64Å; F134-A138 HydrophobicContact CE1-CB 4.44Å; F134-A138 HydrophobicContact CZ-CB 4.36Å; F134-A138 VanDerWaalsContact O-CB 3.29Å; F134-A138 WeakPolarHBondContact O-CB 3.48Å; F134-A138 PolarHBondContact O-N 3.39Å; A138-Y140 VanDerWaalsContact C-N 3.33Å; A138-Y140 PolarHBondContact O-N 2.91Å; A138-R141 PolarHBondContact O-N 2.87Å; A138-L142 HydrophobicContact CB-CD1 4.24Å; A138-L142 VanDerWaalsContact O-CB 3.26Å; A138-L142 WeakPolarHBondContact O-CB 3.46Å; A138-L142 WeakPolarHBondContact O-CG 3.33Å; A138-L142 PolarHBondContact O-N 3.16Å
139G91.9Very high91.3Very high22 Ų2237.5 Ų37.523%0.22718%0.178CC..Hα-helixtrans-55.9-47.117600000112.1H135 I136 Y137 S143 N155H135-G139 PolarHBondContact O-N 3.35Å; I136-G139 PolarHBondContact O-N 3.02Å; Y137-G139 PolarHBondContact O-N 3.01Å; G139-S143 WeakPolarHBondContact O-CB 3.31Å; G139-S143 PolarHBondContact O-N 2.7Å; G139-N155 WeakPolarHBondContact CA-ND2 3.3Å; G139-N155 PolarHBondContact N-ND2 2.88Å
140Y89.7Confident91Very high16 Ų1637.1 Ų37.16%0.06318%0.177CC..Hα-helixtrans-67.9-53.2172.3160.5-102.6000112.2I136 Y137 A138 L142 S143 C249 H252 K320 Q321 F323I136-Y140 PolarHBondContact O-N 2.95Å; Y137-Y140 PolarHBondContact O-N 3.48Å; A138-Y140 VanDerWaalsContact C-N 3.33Å; A138-Y140 PolarHBondContact O-N 2.91Å; Y140-L142 VanDerWaalsContact C-N 3.27Å; Y140-L142 PolarHBondContact O-N 3.26Å; Y140-S143 PolarHBondContact O-N 3.42Å; Y140-S143 PolarHBondContact O-OG 3.04Å; Y140-C249 HydrophobicContact CD1-CB 4.38Å; Y140-C249 WeakPolarHBondContact CD1-SG 3.44Å; Y140-C249 HydrophobicContact CG-CB 4.04Å; Y140-H252 HydrophobicContact CD2-CB 4.26Å; Y140-H252 AromaticContact CD2-CG 3.87Å; Y140-H252 AromaticContact CD2-ND1 3.87Å; Y140-K320 HydrophobicContact CE2-CD 4.29Å; Y140-K320 HydrophobicContact CE2-CG 4.28Å; Y140-K320 WeakPolarHBondContact O-CE 3.5Å; Y140-K320 PolarHBondContact O-NZ 3.21Å; Y140-Q321 PolarHBondContact OH-O 3.42Å; Y140-F323 PolarHBondContact OH-N 2.85Å
141R89.1Confident90.6Very high66 Ų6638.2 Ų38.225%0.24918%0.184CC..Hα-helixtrans-60.7-33.3-171.7179.358176.9115.5-1.4113E89 Y137 A138 Q144 K320E89-R141 IonicContact OE1-CZ 2.76Å; E89-R141 IonicContact OE1-NE 3.4Å; E89-R141 PolarHBondContact OE1-NE 3.03Å; E89-R141 IonicContact OE1-NH2 2.71Å; E89-R141 PolarHBondContact OE1-NH2 3.21Å; E89-R141 IonicContact OE2-NE 2.66Å; Y137-R141 HydrophobicContact CD1-CB 4.29Å; Y137-R141 HydrophobicContact CD2-CB 4.45Å; Y137-R141 HydrophobicContact CE1-CB 3.9Å; Y137-R141 HydrophobicContact CE1-CG 3.88Å; Y137-R141 HydrophobicContact CE2-CB 4.07Å; Y137-R141 HydrophobicContact CE2-CG 4.4Å; Y137-R141 WeakPolarHBondContact O-CB 3.39Å; Y137-R141 PolarHBondContact O-N 3.18Å; Y137-R141 WeakPolarHBondContact OH-CD 3.42Å; A138-R141 PolarHBondContact O-N 2.87Å; R141-Q144 PolarHBondContact O-NE2 2.86Å; R141-Q144 PolarHBondContact O-OE1 2.88Å; R141-K320 PolarHBondContact O-NZ 2.86Å; R141-K320 VanDerWaalsContact O-NZ 3.12Å
142L90.1Very high90.1Very high0 Ų041.2 Ų41.20%020%0.198CC..Hα-helixtrans-104.60.4-175.3-54.1174.3000113.7L96 Y100 A138 Y140 Q144 F145 F150L96-L142 HydrophobicContact CD1-CD2 4.31Å; L96-L142 HydrophobicContact CD2-CD2 3.91Å; L96-L142 HydrophobicContact CG-CD2 3.75Å; Y100-L142 HydrophobicContact CD1-CD1 4.14Å; Y100-L142 HydrophobicContact CD2-CD1 3.52Å; Y100-L142 HydrophobicContact CE2-CD1 4.23Å; Y100-L142 HydrophobicContact CG-CD1 3.46Å; Y100-L142 VanDerWaalsContact CG-CD1 3.46Å; A138-L142 HydrophobicContact CB-CD1 4.24Å; A138-L142 VanDerWaalsContact O-CB 3.26Å; A138-L142 WeakPolarHBondContact O-CB 3.46Å; A138-L142 WeakPolarHBondContact O-CG 3.33Å; A138-L142 PolarHBondContact O-N 3.16Å; Y140-L142 VanDerWaalsContact C-N 3.27Å; Y140-L142 PolarHBondContact O-N 3.26Å; L142-Q144 PolarHBondContact O-N 3.26Å; L142-F145 HydrophobicContact CB-CD2 4.02Å; L142-F145 HydrophobicContact CD2-CD2 4Å; L142-F145 HydrophobicContact CD2-CE2 3.74Å; L142-F145 WeakPolarHBondContact O-CB 3.33Å; L142-F145 WeakPolarHBondContact O-CD2 3.2Å; L142-F145 PolarHBondContact O-N 3.35Å; L142-F150 HydrophobicContact CB-CD1 3.5Å; L142-F150 VanDerWaalsContact CB-CD1 3.5Å; L142-F150 HydrophobicContact CB-CD2 4.05Å; L142-F150 HydrophobicContact CB-CE1 3.55Å; L142-F150 HydrophobicContact CB-CE2 4.1Å; L142-F150 HydrophobicContact CB-CG 3.76Å; L142-F150 HydrophobicContact CB-CZ 3.86Å; L142-F150 HydrophobicContact CD1-CD2 3.69Å; L142-F150 HydrophobicContact CD1-CE2 3.58Å; L142-F150 HydrophobicContact CD1-CG 4.24Å; L142-F150 HydrophobicContact CD1-CZ 4.03Å; L142-F150 HydrophobicContact CG-CE2 4.47Å; L142-F150 WeakPolarHBondContact O-CD1 3.32Å
143S83.9Confident89.7Confident26 Ų2649.3 Ų49.318%0.18223%0.23CC..THydrogen-bonded Turntrans-59.2-17.2-177.7530000115.8G139 Y140 F145 Q152 K320G139-S143 WeakPolarHBondContact O-CB 3.31Å; G139-S143 PolarHBondContact O-N 2.7Å; Y140-S143 PolarHBondContact O-N 3.42Å; Y140-S143 PolarHBondContact O-OG 3.04Å; S143-F145 VanDerWaalsContact C-N 3.27Å; S143-F145 PolarHBondContact O-N 3.12Å; S143-Q152 PolarHBondContact O-NE2 3.25Å; S143-K320 WeakPolarHBondContact OG-CE 3.25Å
144Q79.4Confident89.4Confident100 Ų10051.8 Ų51.847%0.46724%0.243SC..THydrogen-bonded Turntrans-75.4-9.4171.371.8-77.2-25.300114.6R141 L142R141-Q144 PolarHBondContact O-NE2 2.86Å; R141-Q144 PolarHBondContact O-OE1 2.88Å; L142-Q144 PolarHBondContact O-N 3.26Å
145F85.3Confident89.3Confident29 Ų2952 Ų5213%0.12724%0.244CC..SBendtrans-86.3137.6177.2-70.6-76000111.2P93 L96 L97 L142 S143 K149 F150P93-F145 HydrophobicContact CB-CE1 3.9Å; P93-F145 HydrophobicContact CB-CZ 3.88Å; L96-F145 HydrophobicContact CD2-CE2 4.09Å; L96-F145 HydrophobicContact CD2-CZ 4.39Å; L97-F145 HydrophobicContact CD1-CD1 4.09Å; L97-F145 HydrophobicContact CD1-CE1 3.92Å; L97-F145 HydrophobicContact CD1-CZ 4.37Å; L97-F145 HydrophobicContact CD2-CD1 4.25Å; L97-F145 HydrophobicContact CD2-CD2 3.92Å; L97-F145 HydrophobicContact CD2-CE1 4.34Å; L97-F145 HydrophobicContact CD2-CE2 4.03Å; L97-F145 HydrophobicContact CD2-CG 4.03Å; L97-F145 HydrophobicContact CD2-CZ 4.23Å; L97-F145 HydrophobicContact CG-CD1 4.43Å; L97-F145 HydrophobicContact CG-CE1 4.12Å; L97-F145 HydrophobicContact CG-CE2 4.34Å; L97-F145 HydrophobicContact CG-CZ 4.07Å; L142-F145 HydrophobicContact CB-CD2 4.02Å; L142-F145 HydrophobicContact CD2-CD2 4Å; L142-F145 HydrophobicContact CD2-CE2 3.74Å; L142-F145 WeakPolarHBondContact O-CB 3.33Å; L142-F145 WeakPolarHBondContact O-CD2 3.2Å; L142-F145 PolarHBondContact O-N 3.35Å; S143-F145 VanDerWaalsContact C-N 3.27Å; S143-F145 PolarHBondContact O-N 3.12Å; F145-K149 HydrophobicContact CB-CB 4.3Å; F145-K149 HydrophobicContact CD1-CB 4.38Å; F145-K149 HydrophobicContact CD1-CD 4.36Å; F145-F150 HydrophobicContact CB-CB 3.79Å
146E80.6Confident89Confident108 Ų10853.3 Ų53.351%0.50526%0.255SS..  trans-56.9148.4170.9-62.7151.4-169.500111.3Q148 K149 F150E146-Q148 PolarHBondContact O-N 3.29Å; E146-K149 VanDerWaalsContact CD-NZ 3.32Å; E146-K149 WeakPolarHBondContact O-CA 3.35Å; E146-K149 PolarHBondContact O-N 3.44Å; E146-K149 IonicContact OE1-NZ 2.74Å; E146-K149 PolarHBondContact OE1-NZ 3.1Å; E146-K149 WeakPolarHBondContact OE2-CE 3.35Å; E146-K149 IonicContact OE2-NZ 2.74Å; E146-K149 PolarHBondContact OE2-NZ 2.71Å; E146-F150 PolarHBondContact O-N 2.8Å
147M82.4Confident88.9Confident112 Ų11257.3 Ų57.355%0.55227%0.274SS*.THydrogen-bonded Turntrans-53.6-29-178.6-174.7176.6178.400114.3K149 F150 Y153M147-K149 VanDerWaalsContact C-N 3.29Å; M147-K149 PolarHBondContact O-N 2.89Å; M147-F150 WeakPolarHBondContact CA-O 3.3Å; M147-F150 CarbonylContact O-C 3.57Å; M147-Y153 HydrophobicContact CE-CD2 3.79Å; M147-Y153 HydrophobicContact CE-CE2 4.26Å; M147-Y153 HydrophobicContact SD-CD2 4.2Å; M147-Y153 HydrophobicContact SD-CE2 4.17Å
148Q85.4Confident88.9Confident151 Ų15156.7 Ų56.771%0.70627%0.271SS*.THydrogen-bonded Turntrans-64.3-33.7175.3-61177.68.400112.6E146 Q455E146-Q148 PolarHBondContact O-N 3.29Å; Q148-Q455 PolarHBondContact O-NE2 3.44Å
149K89Confident89Confident101 Ų10157 Ų5744%0.43927%0.273SS..THydrogen-bonded Turntrans-93.5-35.5-177.4-69.4162.3-176.7150.10111.7L97 F145 E146 M147L97-K149 HydrophobicContact CD1-CB 3.91Å; L97-K149 HydrophobicContact CD1-CG 4.44Å; F145-K149 HydrophobicContact CB-CB 4.3Å; F145-K149 HydrophobicContact CD1-CB 4.38Å; F145-K149 HydrophobicContact CD1-CD 4.36Å; E146-K149 VanDerWaalsContact CD-NZ 3.32Å; E146-K149 WeakPolarHBondContact O-CA 3.35Å; E146-K149 PolarHBondContact O-N 3.44Å; E146-K149 IonicContact OE1-NZ 2.74Å; E146-K149 PolarHBondContact OE1-NZ 3.1Å; E146-K149 WeakPolarHBondContact OE2-CE 3.35Å; E146-K149 IonicContact OE2-NZ 2.74Å; E146-K149 PolarHBondContact OE2-NZ 2.71Å; M147-K149 VanDerWaalsContact C-N 3.29Å; M147-K149 PolarHBondContact O-N 2.89Å
150F90.7Very high89.1Confident3 Ų358.5 Ų58.51%0.01328%0.278CS..SBendtrans-143.2109.2176.6173.1-116.7000110.3L97 Y100 L142 F145 E146 M147 Q152 N155L97-F150 HydrophobicContact CD2-CB 4.14Å; Y100-F150 HydrophobicContact CD1-CD2 4.23Å; Y100-F150 HydrophobicContact CD1-CE2 4.32Å; Y100-F150 HydrophobicContact CD2-CE2 4.36Å; Y100-F150 AromaticContact CE1-CD2 3.95Å; Y100-F150 HydrophobicContact CE1-CD2 3.95Å; Y100-F150 AromaticContact CE1-CE2 3.83Å; Y100-F150 HydrophobicContact CE1-CE2 3.83Å; Y100-F150 AromaticContact CE2-CE2 3.87Å; Y100-F150 HydrophobicContact CE2-CE2 3.87Å; Y100-F150 AromaticContact CZ-CE2 3.58Å; L142-F150 HydrophobicContact CB-CD1 3.5Å; L142-F150 VanDerWaalsContact CB-CD1 3.5Å; L142-F150 HydrophobicContact CB-CD2 4.05Å; L142-F150 HydrophobicContact CB-CE1 3.55Å; L142-F150 HydrophobicContact CB-CE2 4.1Å; L142-F150 HydrophobicContact CB-CG 3.76Å; L142-F150 HydrophobicContact CB-CZ 3.86Å; L142-F150 HydrophobicContact CD1-CD2 3.69Å; L142-F150 HydrophobicContact CD1-CE2 3.58Å; L142-F150 HydrophobicContact CD1-CG 4.24Å; L142-F150 HydrophobicContact CD1-CZ 4.03Å; L142-F150 HydrophobicContact CG-CE2 4.47Å; L142-F150 WeakPolarHBondContact O-CD1 3.32Å; F145-F150 HydrophobicContact CB-CB 3.79Å; E146-F150 PolarHBondContact O-N 2.8Å; M147-F150 WeakPolarHBondContact CA-O 3.3Å; M147-F150 CarbonylContact O-C 3.57Å; F150-Q152 HydrophobicContact CD1-CG 3.76Å; F150-Q152 HydrophobicContact CE1-CB 4.39Å; F150-Q152 HydrophobicContact CE1-CG 3.75Å; F150-Q152 PolarHBondContact O-N 2.97Å; F150-Q152 VanDerWaalsContact O-N 3.13Å; F150-N155 HydrophobicContact CE2-CB 3.91Å; F150-N155 HydrophobicContact CZ-CB 3.73Å
151D90.7Very high89.2Confident46 Ų4661.1 Ų61.125%0.24629%0.293CS..  trans-78.299.2176.7-173.4-18.2000110.5Y153 L154 N155D151-Y153 VanDerWaalsContact C-N 3.26Å; D151-Y153 PolarHBondContact O-N 3.36Å; D151-Y153 WeakPolarHBondContact OD1-CA 3.49Å; D151-Y153 WeakPolarHBondContact OD1-CB 3.48Å; D151-Y153 PolarHBondContact OD1-N 3.32Å; D151-L154 HydrophobicContact CB-CB 3.8Å; D151-L154 PolarHBondContact O-N 2.89Å; D151-L154 PolarHBondContact OD1-N 2.68Å; D151-N155 PolarHBondContact O-N 2.87Å
152Q88.6Confident89.6Confident64 Ų6458 Ų5830%0.29928%0.281SS..Hα-helixtrans-61.6-33.5178.6-54.2-166.616.300112.3S143 F150 N155 A156S143-Q152 PolarHBondContact O-NE2 3.25Å; F150-Q152 HydrophobicContact CD1-CG 3.76Å; F150-Q152 HydrophobicContact CE1-CB 4.39Å; F150-Q152 HydrophobicContact CE1-CG 3.75Å; F150-Q152 PolarHBondContact O-N 2.97Å; F150-Q152 VanDerWaalsContact O-N 3.13Å; Q152-N155 PolarHBondContact O-N 3.12Å; Q152-A156 WeakPolarHBondContact O-CB 3.45Å; Q152-A156 PolarHBondContact O-N 3.07Å
153Y89.6Confident89.8Confident169 Ų16958 Ų5866%0.66328%0.281SS*.Hα-helixtrans-71.3-42.1178.2-61.3-80.3000110.9M147 D151 N155 A156 E157M147-Y153 HydrophobicContact CE-CD2 3.79Å; M147-Y153 HydrophobicContact CE-CE2 4.26Å; M147-Y153 HydrophobicContact SD-CD2 4.2Å; M147-Y153 HydrophobicContact SD-CE2 4.17Å; D151-Y153 VanDerWaalsContact C-N 3.26Å; D151-Y153 PolarHBondContact O-N 3.36Å; D151-Y153 WeakPolarHBondContact OD1-CA 3.49Å; D151-Y153 WeakPolarHBondContact OD1-CB 3.48Å; D151-Y153 PolarHBondContact OD1-N 3.32Å; Y153-N155 VanDerWaalsContact C-N 3.34Å; Y153-N155 PolarHBondContact O-N 3.36Å; Y153-A156 PolarHBondContact O-N 3.42Å; Y153-E157 WeakPolarHBondContact O-CB 3.48Å; Y153-E157 PolarHBondContact O-N 3.18Å
154L92Very high90.3Very high55 Ų5559.6 Ų59.629%0.28829%0.292SS..Hα-helixtrans-64.5-36.6175-176.561.5000112W104 D151 N158W104-L154 HydrophobicContact CH2-CD2 4.32Å; W104-L154 HydrophobicContact CZ2-CD1 4.32Å; W104-L154 HydrophobicContact CZ2-CD2 3.77Å; W104-L154 HydrophobicContact CZ2-CG 4.02Å; D151-L154 HydrophobicContact CB-CB 3.8Å; D151-L154 PolarHBondContact O-N 2.89Å; D151-L154 PolarHBondContact OD1-N 2.68Å; L154-N158 PolarHBondContact O-N 3.35Å; L154-N158 VanDerWaalsContact O-N 3.07Å; L154-N158 PolarHBondContact O-ND2 3.27Å
155N94.9Very high91Very high4 Ų457 Ų572%0.02129%0.285CS..Hα-helixtrans-67.4-42.2171.8-178.569000111.8Y100 H135 G139 F150 D151 Q152 Y153 N158 L159Y100-N155 PolarHBondContact OH-OD1 3.26Å; H135-N155 PolarHBondContact ND1-OD1 3.47Å; H135-N155 PolarHBondContact O-ND2 2.88Å; G139-N155 WeakPolarHBondContact CA-ND2 3.3Å; G139-N155 PolarHBondContact N-ND2 2.88Å; F150-N155 HydrophobicContact CE2-CB 3.91Å; F150-N155 HydrophobicContact CZ-CB 3.73Å; D151-N155 PolarHBondContact O-N 2.87Å; Q152-N155 PolarHBondContact O-N 3.12Å; Y153-N155 VanDerWaalsContact C-N 3.34Å; Y153-N155 PolarHBondContact O-N 3.36Å; N155-N158 PolarHBondContact O-N 2.92Å; N155-L159 PolarHBondContact O-N 3.24Å
156A92Very high91.6Very high28 Ų2855.6 Ų55.623%0.23128%0.278CS..Hα-helixtrans-64.5-37.2175.900000112.9Q152 Y153 L159 V160Q152-A156 WeakPolarHBondContact O-CB 3.45Å; Q152-A156 PolarHBondContact O-N 3.07Å; Y153-A156 PolarHBondContact O-N 3.42Å; A156-L159 WeakPolarHBondContact O-CB 3.41Å; A156-L159 PolarHBondContact O-N 3.05Å; A156-V160 WeakPolarHBondContact O-CG2 3.41Å; A156-V160 PolarHBondContact O-N 2.96Å
157E92.5Very high92.2Very high89 Ų8950.8 Ų50.842%0.41626%0.256SS..Hα-helixtrans-62.1-45.3171.8-166.2-137.1131.900110.7Y153 L159 V160 N161Y153-E157 WeakPolarHBondContact O-CB 3.48Å; Y153-E157 PolarHBondContact O-N 3.18Å; E157-L159 PolarHBondContact O-N 3.5Å; E157-V160 PolarHBondContact O-N 3.4Å; E157-N161 VanDerWaalsContact O-CB 3.31Å; E157-N161 WeakPolarHBondContact O-CB 3.15Å; E157-N161 PolarHBondContact O-N 2.6Å; E157-N161 PolarHBondContact O-ND2 2.74Å; E157-N161 PolarHBondContact OE1-ND2 3.02Å
158N94.5Very high92.7Very high1 Ų149.5 Ų49.51%0.00525%0.249CC..Hα-helixtrans-66.2-35177.2-84.4-85.1000113.1W104 R111 L154 N155 S162W104-N158 PolarHBondContact NE1-ND2 2.85Å; R111-N158 PolarHBondContact NH1-O 2.99Å; R111-N158 PolarHBondContact NH1-OD1 3.42Å; R111-N158 PolarHBondContact NH2-OD1 2.84Å; L154-N158 PolarHBondContact O-N 3.35Å; L154-N158 VanDerWaalsContact O-N 3.07Å; L154-N158 PolarHBondContact O-ND2 3.27Å; N155-N158 PolarHBondContact O-N 2.92Å; N158-S162 WeakPolarHBondContact O-CB 3.35Å; N158-S162 PolarHBondContact O-N 2.84Å; N158-S162 PolarHBondContact O-OG 3.29Å
159L96.2Very high93.2Very high6 Ų642.5 Ų42.53%0.03122%0.216CC..Hα-helixtrans-59.4-56.9169.5170.856.2000111.1V132 H135 I136 N155 A156 E157 N161 S162 L163 V193 L250V132-L159 HydrophobicContact CB-CD1 4.36Å; V132-L159 HydrophobicContact CG1-CD1 3.7Å; H135-L159 HydrophobicContact CB-CB 3.8Å; H135-L159 HydrophobicContact CB-CD1 4.31Å; I136-L159 HydrophobicContact CD1-CD1 4.27Å; I136-L159 HydrophobicContact CG1-CD1 3.68Å; I136-L159 HydrophobicContact CG1-CD2 3.98Å; N155-L159 PolarHBondContact O-N 3.24Å; A156-L159 WeakPolarHBondContact O-CB 3.41Å; A156-L159 PolarHBondContact O-N 3.05Å; E157-L159 PolarHBondContact O-N 3.5Å; L159-N161 PolarHBondContact O-N 3.24Å; L159-S162 PolarHBondContact O-N 3.4Å; L159-L163 VanDerWaalsContact O-CB 3.26Å; L159-L163 WeakPolarHBondContact O-CB 3.46Å; L159-L163 PolarHBondContact O-N 2.86Å; L159-V193 HydrophobicContact CD2-CG2 4.35Å; L159-L250 HydrophobicContact CD2-CD1 3.6Å
160V93.8Very high93.5Very high55 Ų5537.8 Ų37.833%0.33320%0.196SC..Hα-helixtrans-61.6-42.8-177.2171.30000111.4A156 E157 L163 C164 V193A156-V160 WeakPolarHBondContact O-CG2 3.41Å; A156-V160 PolarHBondContact O-N 2.96Å; E157-V160 PolarHBondContact O-N 3.4Å; V160-L163 PolarHBondContact O-N 2.84Å; V160-C164 WeakPolarHBondContact O-CB 3.42Å; V160-C164 PolarHBondContact O-N 2.88Å; V160-C164 PolarHBondContact O-SG 3.43Å; V160-V193 HydrophobicContact CG2-CG1 4.25Å; V160-V193 HydrophobicContact CG2-CG2 3.87Å
161N93.3Very high93.6Very high70 Ų7041 Ų4137%0.37421%0.208SC..Hα-helixtrans-62.4-47.4177.3-71-20.6000111.7E157 L159 L163 C164 S165E157-N161 VanDerWaalsContact O-CB 3.31Å; E157-N161 WeakPolarHBondContact O-CB 3.15Å; E157-N161 PolarHBondContact O-N 2.6Å; E157-N161 PolarHBondContact O-ND2 2.74Å; E157-N161 PolarHBondContact OE1-ND2 3.02Å; L159-N161 PolarHBondContact O-N 3.24Å; N161-L163 VanDerWaalsContact C-N 3.3Å; N161-L163 PolarHBondContact O-N 3.3Å; N161-C164 PolarHBondContact O-N 3.42Å; N161-S165 PolarHBondContact O-N 3.01Å; N161-S165 VanDerWaalsContact O-N 3.08Å; N161-S165 PolarHBondContact O-OG 2.83Å
162S96.5Very high93.8Very high0 Ų041.7 Ų41.70%021%0.21CC..Hα-helixtrans-61.2-40.5177.4-53.20000111.9R111 N158 L159 S165 L166R111-S162 WeakPolarHBondContact CD-OG 3.3Å; R111-S162 PolarHBondContact NE-OG 3.3Å; R111-S162 PolarHBondContact NH1-OG 3.36Å; N158-S162 WeakPolarHBondContact O-CB 3.35Å; N158-S162 PolarHBondContact O-N 2.84Å; N158-S162 PolarHBondContact O-OG 3.29Å; L159-S162 PolarHBondContact O-N 3.4Å; S162-S165 PolarHBondContact O-N 2.74Å; S162-L166 WeakPolarHBondContact O-CB 3.36Å; S162-L166 PolarHBondContact O-N 2.72Å
163L95.4Very high94.1Very high1 Ų138.8 Ų38.81%0.00520%0.197CC..Hα-helixtrans-70.6-38-178.5-175.452.5000112.3V132 L159 V160 N161 L166 L167 F186 F190 V193V132-L163 HydrophobicContact CG1-CD1 4.39Å; V132-L163 HydrophobicContact CG2-CB 3.94Å; V132-L163 HydrophobicContact CG2-CD1 4.37Å; L159-L163 VanDerWaalsContact O-CB 3.26Å; L159-L163 WeakPolarHBondContact O-CB 3.46Å; L159-L163 PolarHBondContact O-N 2.86Å; V160-L163 PolarHBondContact O-N 2.84Å; N161-L163 VanDerWaalsContact C-N 3.3Å; N161-L163 PolarHBondContact O-N 3.3Å; L163-L166 PolarHBondContact O-N 3.43Å; L163-L167 HydrophobicContact CD1-CG 4.37Å; L163-L167 WeakPolarHBondContact O-CG 3.45Å; L163-L167 PolarHBondContact O-N 3.02Å; L163-F186 HydrophobicContact CD1-CB 3.89Å; L163-F186 HydrophobicContact CD1-CD1 4.23Å; L163-F190 HydrophobicContact CD2-CB 3.91Å; L163-F190 HydrophobicContact CD2-CD2 4.34Å; L163-F190 HydrophobicContact CG-CB 4.23Å; L163-F190 HydrophobicContact CG-CD2 4.31Å; L163-V193 HydrophobicContact CD2-CG1 4.29Å
164C93.3Very high94.2Very high60 Ų6033.6 Ų33.641%0.40518%0.176SC..Hα-helixtrans-62.8-45.7171.5-73.20000111.8V160 N161 L166 L167 E168V160-C164 WeakPolarHBondContact O-CB 3.42Å; V160-C164 PolarHBondContact O-N 2.88Å; V160-C164 PolarHBondContact O-SG 3.43Å; N161-C164 PolarHBondContact O-N 3.42Å; C164-L166 VanDerWaalsContact C-N 3.31Å; C164-L166 PolarHBondContact O-N 2.8Å; C164-L167 PolarHBondContact O-N 3.4Å; C164-E168 PolarHBondContact O-N 3.04Å; C164-E168 VanDerWaalsContact O-N 3.11Å
165S95.3Very high94.2Very high45 Ų4536.1 Ų36.132%0.31519%0.19SC..Hα-helixtrans-62.8-36.4175.5-61.30000112.9N161 S162 T169N161-S165 PolarHBondContact O-N 3.01Å; N161-S165 VanDerWaalsContact O-N 3.08Å; N161-S165 PolarHBondContact O-OG 2.83Å; S162-S165 PolarHBondContact O-N 2.74Å; S165-T169 WeakPolarHBondContact O-CB 3.34Å; S165-T169 PolarHBondContact O-N 2.91Å; S165-T169 PolarHBondContact O-OG1 2.97Å
166L96.8Very high94.1Very high0 Ų041.7 Ų41.70%022%0.216CC..Hα-helixtrans-67.1-49.2177.1-178.857.4000111.9V125 L128 E129 V132 S162 L163 C164 E168 T169 Y170 F186V125-L166 HydrophobicContact CG1-CD1 4.27Å; V125-L166 HydrophobicContact CG2-CD1 4.47Å; L128-L166 HydrophobicContact CB-CB 4.11Å; L128-L166 HydrophobicContact CB-CD1 3.88Å; L128-L166 HydrophobicContact CB-CG 4.44Å; E129-L166 HydrophobicContact CG-CD1 4.03Å; E129-L166 HydrophobicContact CG-CD2 3.97Å; V132-L166 HydrophobicContact CG2-CD2 4.35Å; S162-L166 WeakPolarHBondContact O-CB 3.36Å; S162-L166 PolarHBondContact O-N 2.72Å; L163-L166 PolarHBondContact O-N 3.43Å; C164-L166 VanDerWaalsContact C-N 3.31Å; C164-L166 PolarHBondContact O-N 2.8Å; L166-E168 VanDerWaalsContact C-N 3.3Å; L166-E168 PolarHBondContact O-N 3.11Å; L166-T169 PolarHBondContact O-N 2.86Å; L166-Y170 HydrophobicContact CD1-CD1 4.28Å; L166-Y170 HydrophobicContact CD1-CD2 4.41Å; L166-Y170 HydrophobicContact CD1-CE1 3.74Å; L166-Y170 HydrophobicContact CD1-CE2 3.87Å; L166-Y170 HydrophobicContact CD2-CE2 4.09Å; L166-Y170 HydrophobicContact CG-CD2 4.15Å; L166-Y170 HydrophobicContact CG-CE1 4.41Å; L166-Y170 HydrophobicContact CG-CE2 3.6Å; L166-Y170 PolarHBondContact O-N 2.66Å; L166-F186 HydrophobicContact CD2-CB 3.94Å; L166-F186 HydrophobicContact CD2-CD1 3.4Å; L166-F186 VanDerWaalsContact CD2-CD1 3.4Å; L166-F186 HydrophobicContact CD2-CD2 3.95Å; L166-F186 HydrophobicContact CD2-CE1 3.89Å; L166-F186 HydrophobicContact CD2-CE2 4.37Å; L166-F186 HydrophobicContact CD2-CG 3.45Å; L166-F186 VanDerWaalsContact CD2-CG 3.45Å; L166-F186 HydrophobicContact CD2-CZ 4.34Å
167L94.1Very high94.1Very high7 Ų747.9 Ų47.94%0.03724%0.24CC..Hα-helixtrans-62-36.9178.4-69.9176.5000112.5L163 C164 Y170 R171 V187 F190L163-L167 HydrophobicContact CD1-CG 4.37Å; L163-L167 WeakPolarHBondContact O-CG 3.45Å; L163-L167 PolarHBondContact O-N 3.02Å; C164-L167 PolarHBondContact O-N 3.4Å; L167-Y170 HydrophobicContact CD2-CD2 4.26Å; L167-R171 WeakPolarHBondContact O-CG 3.5Å; L167-R171 PolarHBondContact O-N 2.87Å; L167-V187 HydrophobicContact CD2-CG2 3.61Å; L167-F190 HydrophobicContact CD1-CB 3.83Å; L167-F190 HydrophobicContact CD1-CD1 4.13Å; L167-F190 HydrophobicContact CD1-CD2 3.56Å; L167-F190 HydrophobicContact CD1-CE2 4.13Å; L167-F190 HydrophobicContact CD1-CG 3.55Å
168E93.2Very high94.1Very high85 Ų8546.2 Ų46.240%0.39724%0.236SC..Hα-helixtrans-71.2-37.5175.7-159.562.5-166.800111.8C164 L166 Y170 R171 M172C164-E168 PolarHBondContact O-N 3.04Å; C164-E168 VanDerWaalsContact O-N 3.11Å; L166-E168 VanDerWaalsContact C-N 3.3Å; L166-E168 PolarHBondContact O-N 3.11Å; E168-Y170 PolarHBondContact O-N 3.36Å; E168-R171 WeakPolarHBondContact O-CB 3.47Å; E168-R171 PolarHBondContact O-N 3.47Å; E168-R171 IonicContact OE2-CZ 3.32Å; E168-R171 IonicContact OE2-NH1 3.53Å; E168-R171 PolarHBondContact OE2-NH1 3.28Å; E168-M172 WeakPolarHBondContact O-CG 3.44Å; E168-M172 PolarHBondContact O-N 2.89Å
169T95.2Very high94Very high4 Ų452.4 Ų52.43%0.02527%0.273CS..Hα-helixtrans-64.7-38.6173.9-59.60000112H120 V125 S165 L166 R171 M172 L173H120-T169 HydrophobicContact CB-CG2 4.37Å; H120-T169 PolarHBondContact ND1-OG1 3.03Å; V125-T169 HydrophobicContact CG2-CG2 3.74Å; S165-T169 WeakPolarHBondContact O-CB 3.34Å; S165-T169 PolarHBondContact O-N 2.91Å; S165-T169 PolarHBondContact O-OG1 2.97Å; L166-T169 PolarHBondContact O-N 2.86Å; T169-R171 VanDerWaalsContact C-N 3.32Å; T169-R171 PolarHBondContact O-N 3.22Å; T169-M172 PolarHBondContact O-N 3.41Å; T169-L173 HydrophobicContact CG2-CD1 3.99Å; T169-L173 HydrophobicContact CG2-CG 4.48Å; T169-L173 WeakPolarHBondContact O-CB 3.41Å; T169-L173 WeakPolarHBondContact O-CG 3.4Å; T169-L173 PolarHBondContact O-N 3.18Å
170Y95.7Very high93.9Very high1 Ų153 Ų530%0.00428%0.278CS..Hα-helixtrans-62.1-36.5172.2-68.7-34.8000112.6V125 E129 L166 L167 E168 R174 C180 E183 F186V125-Y170 HydrophobicContact CG1-CD1 4.47Å; V125-Y170 HydrophobicContact CG1-CE1 3.63Å; V125-Y170 HydrophobicContact CG2-CD1 4.11Å; V125-Y170 HydrophobicContact CG2-CE1 4.07Å; E129-Y170 PolarHBondContact OE1-OH 2.99Å; L166-Y170 HydrophobicContact CD1-CD1 4.28Å; L166-Y170 HydrophobicContact CD1-CD2 4.41Å; L166-Y170 HydrophobicContact CD1-CE1 3.74Å; L166-Y170 HydrophobicContact CD1-CE2 3.87Å; L166-Y170 HydrophobicContact CD2-CE2 4.09Å; L166-Y170 HydrophobicContact CG-CD2 4.15Å; L166-Y170 HydrophobicContact CG-CE1 4.41Å; L166-Y170 HydrophobicContact CG-CE2 3.6Å; L166-Y170 PolarHBondContact O-N 2.66Å; L167-Y170 HydrophobicContact CD2-CD2 4.26Å; E168-Y170 PolarHBondContact O-N 3.36Å; Y170-R174 VanDerWaalsContact O-CB 3.26Å; Y170-R174 WeakPolarHBondContact O-CB 3.49Å; Y170-R174 PolarHBondContact O-N 3.12Å; Y170-C180 HydrophobicContact CD1-CB 3.43Å; Y170-C180 VanDerWaalsContact CD1-CB 3.43Å; Y170-C180 HydrophobicContact CE1-CB 3.47Å; Y170-C180 VanDerWaalsContact CE1-CB 3.47Å; Y170-C180 HydrophobicContact CG-CB 4.39Å; Y170-E183 WeakPolarHBondContact CB-OE1 3.38Å; Y170-E183 HydrophobicContact CD2-CB 3.84Å; Y170-E183 HydrophobicContact CD2-CG 3.54Å; Y170-E183 HydrophobicContact CE1-CB 4.46Å; Y170-E183 HydrophobicContact CE2-CB 3.76Å; Y170-E183 HydrophobicContact CE2-CG 3.86Å; Y170-E183 HydrophobicContact CG-CB 4.25Å; Y170-E183 HydrophobicContact CG-CG 4.1Å; Y170-F186 HydrophobicContact CE2-CB 4.1Å; Y170-F186 HydrophobicContact CE2-CD2 4.28Å; Y170-F186 HydrophobicContact CE2-CG 4.45Å; Y170-F186 WeakPolarHBondContact OH-CD2 3.33Å
171R93Very high93.9Very high70 Ų7058.9 Ų58.926%0.26430%0.302SS..Hα-helixtrans-65.8-50.4174.7-69.9170.9-170.6141.15.4111.7L167 E168 T169 L173 R174 D175 E207L167-R171 WeakPolarHBondContact O-CG 3.5Å; L167-R171 PolarHBondContact O-N 2.87Å; E168-R171 WeakPolarHBondContact O-CB 3.47Å; E168-R171 PolarHBondContact O-N 3.47Å; E168-R171 IonicContact OE2-CZ 3.32Å; E168-R171 IonicContact OE2-NH1 3.53Å; E168-R171 PolarHBondContact OE2-NH1 3.28Å; T169-R171 VanDerWaalsContact C-N 3.32Å; T169-R171 PolarHBondContact O-N 3.22Å; R171-L173 VanDerWaalsContact C-N 3.26Å; R171-L173 PolarHBondContact O-N 3.23Å; R171-R174 WeakPolarHBondContact O-CA 3.42Å; R171-R174 WeakPolarHBondContact O-CB 3.35Å; R171-R174 PolarHBondContact O-N 2.99Å; R171-D175 VanDerWaalsContact O-CG 3.32Å; R171-D175 PolarHBondContact O-N 3.35Å; R171-E207 IonicContact CZ-OE1 3.75Å; R171-E207 IonicContact NE-OE1 3.96Å; R171-E207 PolarHBondContact NE-OE1 3.44Å; R171-E207 IonicContact NH2-OE1 2.73Å; R171-E207 PolarHBondContact NH2-OE1 2.93Å
172M93.7Very high94Very high61 Ų6158.4 Ų58.430%0.330%0.299SS..Hα-helixtrans-57.3-40177-64.5-63.295.600112.2H120 E168 T169 Q176H120-M172 HydrophobicContact CB-CB 4.04Å; E168-M172 WeakPolarHBondContact O-CG 3.44Å; E168-M172 PolarHBondContact O-N 2.89Å; T169-M172 PolarHBondContact O-N 3.41Å; M172-Q176 VanDerWaalsContact O-CG 3.3Å; M172-Q176 WeakPolarHBondContact O-CG 3.25Å; M172-Q176 PolarHBondContact O-N 3.43Å
173L94.9Very high94Very high4 Ų458.7 Ų58.72%0.02130%0.301CS..Hα-helixtrans-70.1-37.9174.2-74.9172.7000112.7H120 V125 T169 R171 D175 Q176 Q177 V178H120-L173 WeakPolarHBondContact O-CD2 3.26Å; V125-L173 HydrophobicContact CG2-CD1 3.48Å; V125-L173 VanDerWaalsContact CG2-CD1 3.48Å; T169-L173 HydrophobicContact CG2-CD1 3.99Å; T169-L173 HydrophobicContact CG2-CG 4.48Å; T169-L173 WeakPolarHBondContact O-CB 3.41Å; T169-L173 WeakPolarHBondContact O-CG 3.4Å; T169-L173 PolarHBondContact O-N 3.18Å; R171-L173 VanDerWaalsContact C-N 3.26Å; R171-L173 PolarHBondContact O-N 3.23Å; L173-D175 VanDerWaalsContact C-N 3.35Å; L173-D175 PolarHBondContact O-N 3.48Å; L173-Q176 CarbonylContact O-C 3.57Å; L173-Q176 WeakPolarHBondContact O-CA 3.43Å; L173-Q176 WeakPolarHBondContact O-CB 3.44Å; L173-Q176 PolarHBondContact O-N 3.21Å; L173-Q177 PolarHBondContact O-N 2.9Å; L173-Q177 VanDerWaalsContact O-N 3.16Å; L173-V178 HydrophobicContact CB-CB 4.1Å; L173-V178 HydrophobicContact CD2-CB 4.05Å; L173-V178 HydrophobicContact CD2-CG1 4.16Å; L173-V178 HydrophobicContact CD2-CG2 4.26Å; L173-V178 WeakPolarHBondContact O-CB 3.26Å; L173-V178 PolarHBondContact O-N 3.18Å
174R92.6Very high94Very high59 Ų5959.7 Ų59.722%0.22331%0.309CS..Hα-helixtrans-63-40.6174.8-165.3-159.1-45-50.17.4111.8Y170 R171 Q176 Q177 E183 E207Y170-R174 VanDerWaalsContact O-CB 3.26Å; Y170-R174 WeakPolarHBondContact O-CB 3.49Å; Y170-R174 PolarHBondContact O-N 3.12Å; R171-R174 WeakPolarHBondContact O-CA 3.42Å; R171-R174 WeakPolarHBondContact O-CB 3.35Å; R171-R174 PolarHBondContact O-N 2.99Å; R174-Q176 VanDerWaalsContact C-N 3.26Å; R174-Q176 PolarHBondContact O-N 3.24Å; R174-Q177 WeakPolarHBondContact O-CA 3.45Å; R174-Q177 PolarHBondContact O-N 3.02Å; R174-Q177 PolarHBondContact O-NE2 3.02Å; R174-Q177 VanDerWaalsContact O-NE2 3.13Å; R174-E183 IonicContact CZ-OE1 3.66Å; R174-E183 IonicContact CZ-OE2 3.42Å; R174-E183 IonicContact NH1-OE1 3.7Å; R174-E183 IonicContact NH1-OE2 3.72Å; R174-E183 PolarHBondContact NH1-OE2 3.45Å; R174-E183 IonicContact NH2-OE1 2.86Å; R174-E183 PolarHBondContact NH2-OE1 2.95Å; R174-E183 IonicContact NH2-OE2 3.91Å; R174-E183 PolarHBondContact NH2-OE2 3.04Å; R174-E207 IonicContact CZ-OE2 2.72Å; R174-E207 IonicContact NH2-OE2 3.23Å; R174-E207 PolarHBondContact NH2-OE2 2.94Å
175D91.1Very high94.2Very high109 Ų10958.8 Ų58.858%0.58330%0.299SS*.Hα-helixtrans-63.2-37.8176.1-64.7-25.9000110.3R171 L173 Q177R171-D175 VanDerWaalsContact O-CG 3.32Å; R171-D175 PolarHBondContact O-N 3.35Å; L173-D175 VanDerWaalsContact C-N 3.35Å; L173-D175 PolarHBondContact O-N 3.48Å; D175-Q177 PolarHBondContact O-N 2.92Å; D175-Q177 PolarHBondContact O-NE2 3.22Å; D175-Q177 VanDerWaalsContact O-NE2 3.07Å
176Q92.6Very high94.3Very high120 Ų12056.7 Ų56.756%0.56128%0.284SS*.THydrogen-bonded Turntrans-74.37.3169.5-63.1170.820.900114.6M172 L173 R174 V178M172-Q176 VanDerWaalsContact O-CG 3.3Å; M172-Q176 WeakPolarHBondContact O-CG 3.25Å; M172-Q176 PolarHBondContact O-N 3.43Å; L173-Q176 CarbonylContact O-C 3.57Å; L173-Q176 WeakPolarHBondContact O-CA 3.43Å; L173-Q176 WeakPolarHBondContact O-CB 3.44Å; L173-Q176 PolarHBondContact O-N 3.21Å; R174-Q176 VanDerWaalsContact C-N 3.26Å; R174-Q176 PolarHBondContact O-N 3.24Å; Q176-V178 HydrophobicContact CB-CG2 4.36Å; Q176-V178 PolarHBondContact O-N 2.88Å
177Q92.1Very high94.2Very high158 Ų15856.8 Ų56.874%0.73828%0.284SS*.THydrogen-bonded Turntrans62.616.5-177.2-49.6-54.4-65.200115.8L173 R174 D175L173-Q177 PolarHBondContact O-N 2.9Å; L173-Q177 VanDerWaalsContact O-N 3.16Å; R174-Q177 WeakPolarHBondContact O-CA 3.45Å; R174-Q177 PolarHBondContact O-N 3.02Å; R174-Q177 PolarHBondContact O-NE2 3.02Å; R174-Q177 VanDerWaalsContact O-NE2 3.13Å; D175-Q177 PolarHBondContact O-N 2.92Å; D175-Q177 PolarHBondContact O-NE2 3.22Å; D175-Q177 VanDerWaalsContact O-NE2 3.07Å
178V93.4Very high94.2Very high55 Ų5556.4 Ų56.433%0.33328%0.283SS..  trans-85.8113.1176.5-179.90000110.4L173 Q176 C180L173-V178 HydrophobicContact CB-CB 4.1Å; L173-V178 HydrophobicContact CD2-CB 4.05Å; L173-V178 HydrophobicContact CD2-CG1 4.16Å; L173-V178 HydrophobicContact CD2-CG2 4.26Å; L173-V178 WeakPolarHBondContact O-CB 3.26Å; L173-V178 PolarHBondContact O-N 3.18Å; Q176-V178 HydrophobicContact CB-CG2 4.36Å; Q176-V178 PolarHBondContact O-N 2.88Å; V178-C180 PolarHBondContact O-N 3.01Å
179V91.2Very high94.4Very high130 Ų13052.5 Ų52.579%0.78826%0.264SS*.  trans-81.7115.8-178.1-179.50000111.3
180C94.4Very high94.3Very high19 Ų1953.4 Ų53.413%0.12827%0.268CS..  trans-94.5106.2177-64.40000111.1Y170 V178 N182 E183Y170-C180 HydrophobicContact CD1-CB 3.43Å; Y170-C180 VanDerWaalsContact CD1-CB 3.43Å; Y170-C180 HydrophobicContact CE1-CB 3.47Å; Y170-C180 VanDerWaalsContact CE1-CB 3.47Å; Y170-C180 HydrophobicContact CG-CB 4.39Å; V178-C180 PolarHBondContact O-N 3.01Å; C180-N182 PolarHBondContact O-N 3.17Å; C180-E183 WeakPolarHBondContact O-CB 3.35Å; C180-E183 PolarHBondContact O-N 3.29Å
181Q93.9Very high94.1Very high178 Ų17853.4 Ų53.483%0.83227%0.268SS*.THydrogen-bonded Turntrans-59.6-39.3-168.5-62.4-178.14.500114.1E183Q181-E183 VanDerWaalsContact C-N 3.32Å; Q181-E183 PolarHBondContact O-N 3.33Å
182N96.3Very high94Very high61 Ų6150.1 Ų50.133%0.32626%0.255SS..THydrogen-bonded Turntrans-84-1.6-173.7-57.7-27.4000113.8E129 R133 C180 A184 E185 F186E129-N182 PolarHBondContact OE2-ND2 2.77Å; R133-N182 PolarHBondContact NH2-ND2 3.43Å; C180-N182 PolarHBondContact O-N 3.17Å; N182-A184 PolarHBondContact O-N 3.31Å; N182-A184 VanDerWaalsContact O-N 3.08Å; N182-E185 WeakPolarHBondContact O-CA 3.2Å; N182-E185 WeakPolarHBondContact O-CB 3.49Å; N182-E185 PolarHBondContact O-N 2.89Å; N182-F186 HydrophobicContact CB-CD2 4.3Å; N182-F186 HydrophobicContact CB-CE2 3.93Å; N182-F186 WeakPolarHBondContact O-CD2 3.23Å
183E95.8Very high93.8Very high6 Ų648.3 Ų48.33%0.02825%0.248CC..Hα-helixtrans-54.2-37.9-170.9172.8168-155.900113.9Y170 R174 C180 Q181 E185 F186 V187 I211Y170-E183 WeakPolarHBondContact CB-OE1 3.38Å; Y170-E183 HydrophobicContact CD2-CB 3.84Å; Y170-E183 HydrophobicContact CD2-CG 3.54Å; Y170-E183 HydrophobicContact CE1-CB 4.46Å; Y170-E183 HydrophobicContact CE2-CB 3.76Å; Y170-E183 HydrophobicContact CE2-CG 3.86Å; Y170-E183 HydrophobicContact CG-CB 4.25Å; Y170-E183 HydrophobicContact CG-CG 4.1Å; R174-E183 IonicContact CZ-OE1 3.66Å; R174-E183 IonicContact CZ-OE2 3.42Å; R174-E183 IonicContact NH1-OE1 3.7Å; R174-E183 IonicContact NH1-OE2 3.72Å; R174-E183 PolarHBondContact NH1-OE2 3.45Å; R174-E183 IonicContact NH2-OE1 2.86Å; R174-E183 PolarHBondContact NH2-OE1 2.95Å; R174-E183 IonicContact NH2-OE2 3.91Å; R174-E183 PolarHBondContact NH2-OE2 3.04Å; C180-E183 WeakPolarHBondContact O-CB 3.35Å; C180-E183 PolarHBondContact O-N 3.29Å; Q181-E183 VanDerWaalsContact C-N 3.32Å; Q181-E183 PolarHBondContact O-N 3.33Å; E183-E185 PolarHBondContact O-N 3.22Å; E183-F186 PolarHBondContact O-N 3.1Å; E183-F186 VanDerWaalsContact O-N 3.14Å; E183-V187 HydrophobicContact CG-CG2 3.99Å; E183-V187 WeakPolarHBondContact O-CG2 3.46Å; E183-V187 PolarHBondContact O-N 2.75Å; E183-I211 HydrophobicContact CG-CD1 4.1Å; E183-I211 VanDerWaalsContact OE2-CD1 3.23Å; E183-I211 WeakPolarHBondContact OE2-CD1 3.36Å
184A96Very high93.4Very high21 Ų2148.7 Ų48.717%0.17425%0.251CS..Hα-helixtrans-57.5-33175.300000113.9N182 S188 S214 V217N182-A184 PolarHBondContact O-N 3.31Å; N182-A184 VanDerWaalsContact O-N 3.08Å; A184-S188 PolarHBondContact O-N 2.58Å; A184-S214 WeakPolarHBondContact CB-OG 3.41Å; A184-V217 WeakPolarHBondContact O-CG2 3.32Å
185E96.9Very high93.1Very high42 Ų4245.9 Ų45.920%0.19624%0.24CC..Hα-helixtrans-62.6-50.9174.9-164.9-160150.600110R133 N182 E183 S188 Y189R133-E185 IonicContact CZ-OE1 2.75Å; R133-E185 IonicContact CZ-OE2 3.43Å; R133-E185 IonicContact NE-OE1 3.21Å; R133-E185 PolarHBondContact NE-OE1 3.46Å; R133-E185 IonicContact NE-OE2 3.24Å; R133-E185 PolarHBondContact NE-OE2 3.41Å; R133-E185 IonicContact NH2-OE1 3.37Å; R133-E185 IonicContact NH2-OE2 2.73Å; R133-E185 PolarHBondContact NH2-OE2 3.25Å; N182-E185 WeakPolarHBondContact O-CA 3.2Å; N182-E185 WeakPolarHBondContact O-CB 3.49Å; N182-E185 PolarHBondContact O-N 2.89Å; E183-E185 PolarHBondContact O-N 3.22Å; E185-S188 WeakPolarHBondContact O-CA 3.21Å; E185-S188 VanDerWaalsContact O-CB 3.29Å; E185-S188 WeakPolarHBondContact O-CB 3.48Å; E185-S188 PolarHBondContact O-N 3.43Å; E185-S188 VanDerWaalsContact O-N 3.14Å; E185-S188 PolarHBondContact O-OG 3.29Å; E185-Y189 HydrophobicContact CG-CE2 3.64Å; E185-Y189 WeakPolarHBondContact CG-OH 3.43Å; E185-Y189 PolarHBondContact O-N 3.39Å; E185-Y189 VanDerWaalsContact O-N 3.15Å; E185-Y189 VanDerWaalsContact OE1-CE2 3.23Å; E185-Y189 WeakPolarHBondContact OE1-CE2 3.46Å; E185-Y189 VanDerWaalsContact OE1-CZ 3.31Å; E185-Y189 PolarHBondContact OE1-OH 2.93Å
186F97.2Very high92.1Very high0 Ų043.9 Ų43.90%023%0.233CC..Hα-helixtrans-75.4-34.9-174.7-65.6-79.3000113.5E129 V132 R133 L163 L166 Y170 N182 E183 S188 Y189 F190E129-F186 HydrophobicContact CB-CE1 4.26Å; E129-F186 HydrophobicContact CB-CE2 3.93Å; E129-F186 HydrophobicContact CB-CZ 3.52Å; E129-F186 VanDerWaalsContact CD-CE2 3.43Å; E129-F186 HydrophobicContact CG-CD2 4.13Å; E129-F186 HydrophobicContact CG-CE1 4.35Å; E129-F186 HydrophobicContact CG-CE2 3.4Å; E129-F186 VanDerWaalsContact CG-CE2 3.4Å; E129-F186 HydrophobicContact CG-CZ 3.54Å; V132-F186 HydrophobicContact CB-CD1 4.03Å; V132-F186 HydrophobicContact CB-CE1 3.75Å; V132-F186 HydrophobicContact CG1-CD1 3.62Å; V132-F186 HydrophobicContact CG1-CE1 3.61Å; R133-F186 HydrophobicContact CG-CE1 4.05Å; R133-F186 HydrophobicContact CG-CZ 3.94Å; R133-F186 VanDerWaalsContact CZ-CZ 3.49Å; L163-F186 HydrophobicContact CD1-CB 3.89Å; L163-F186 HydrophobicContact CD1-CD1 4.23Å; L166-F186 HydrophobicContact CD2-CB 3.94Å; L166-F186 HydrophobicContact CD2-CD1 3.4Å; L166-F186 VanDerWaalsContact CD2-CD1 3.4Å; L166-F186 HydrophobicContact CD2-CD2 3.95Å; L166-F186 HydrophobicContact CD2-CE1 3.89Å; L166-F186 HydrophobicContact CD2-CE2 4.37Å; L166-F186 HydrophobicContact CD2-CG 3.45Å; L166-F186 VanDerWaalsContact CD2-CG 3.45Å; L166-F186 HydrophobicContact CD2-CZ 4.34Å; Y170-F186 HydrophobicContact CE2-CB 4.1Å; Y170-F186 HydrophobicContact CE2-CD2 4.28Å; Y170-F186 HydrophobicContact CE2-CG 4.45Å; Y170-F186 WeakPolarHBondContact OH-CD2 3.33Å; N182-F186 HydrophobicContact CB-CD2 4.3Å; N182-F186 HydrophobicContact CB-CE2 3.93Å; N182-F186 WeakPolarHBondContact O-CD2 3.23Å; E183-F186 PolarHBondContact O-N 3.1Å; E183-F186 VanDerWaalsContact O-N 3.14Å; F186-S188 PolarHBondContact O-N 2.73Å; F186-Y189 AromaticContact CD1-CD2 3.68Å; F186-Y189 HydrophobicContact CD1-CD2 3.68Å; F186-Y189 AromaticContact CD1-CE2 3.99Å; F186-Y189 HydrophobicContact CD1-CE2 3.99Å; F186-Y189 HydrophobicContact CE1-CD2 4.06Å; F186-Y189 AromaticContact CE1-CE2 3.95Å; F186-Y189 HydrophobicContact CE1-CE2 3.95Å; F186-Y189 HydrophobicContact CG-CD2 4.32Å; F186-Y189 PolarHBondContact O-N 3.3Å; F186-F190 PolarHBondContact O-N 3.19Å
187V94.8Very high90.9Very high2 Ų242.2 Ų42.21%0.01223%0.231CC..Hα-helixtrans-60.5-33.9168.5175.80000110.7L167 E183 F190 I191 V205 E207 I211 V217L167-V187 HydrophobicContact CD2-CG2 3.61Å; E183-V187 HydrophobicContact CG-CG2 3.99Å; E183-V187 WeakPolarHBondContact O-CG2 3.46Å; E183-V187 PolarHBondContact O-N 2.75Å; V187-F190 PolarHBondContact O-N 3.3Å; V187-I191 HydrophobicContact CG1-CD1 4.23Å; V187-I191 WeakPolarHBondContact O-CD1 3.36Å; V187-I191 WeakPolarHBondContact O-CG1 3.34Å; V187-I191 PolarHBondContact O-N 2.85Å; V187-I191 VanDerWaalsContact O-N 3.16Å; V187-V205 HydrophobicContact CG1-CG1 4.01Å; V187-E207 HydrophobicContact CG1-CG 4.39Å; V187-E207 HydrophobicContact CG2-CG 4.07Å; V187-I211 HydrophobicContact CB-CG2 4.18Å; V187-I211 HydrophobicContact CG1-CG2 4.24Å; V187-I211 HydrophobicContact CG2-CG2 3.99Å; V187-V217 HydrophobicContact CB-CG2 3.93Å; V187-V217 HydrophobicContact CG1-CG1 4.45Å; V187-V217 HydrophobicContact CG1-CG2 3.71Å
188S95.2Very high88.9Confident0 Ų038.4 Ų38.40%022%0.219CC..Hα-helixtrans-65.9-44.3173.190.30000112.4A184 E185 F186 F190 I191 I192 A216 Q247A184-S188 PolarHBondContact O-N 2.58Å; E185-S188 WeakPolarHBondContact O-CA 3.21Å; E185-S188 VanDerWaalsContact O-CB 3.29Å; E185-S188 WeakPolarHBondContact O-CB 3.48Å; E185-S188 PolarHBondContact O-N 3.43Å; E185-S188 VanDerWaalsContact O-N 3.14Å; E185-S188 PolarHBondContact O-OG 3.29Å; F186-S188 PolarHBondContact O-N 2.73Å; S188-F190 VanDerWaalsContact C-N 3.3Å; S188-F190 PolarHBondContact O-N 2.94Å; S188-I191 PolarHBondContact O-N 3.26Å; S188-I192 VanDerWaalsContact O-CG1 3.31Å; S188-I192 WeakPolarHBondContact O-CG1 3.18Å; S188-I192 PolarHBondContact O-N 3.47Å; S188-I192 VanDerWaalsContact O-N 3.08Å; S188-A216 VanDerWaalsContact CB-O 3.23Å; S188-A216 WeakPolarHBondContact CB-O 3.33Å; S188-Q247 PolarHBondContact OG-NE2 3.22Å
189Y95.8Very high86.8Confident3 Ų337.4 Ų37.41%0.01221%0.21CC..Hα-helixtrans-62.1-37.1174.9-58-40.2000112V132 I136 E185 F186 I192 V193 L246 Q247 L250V132-Y189 HydrophobicContact CG1-CD2 4.1Å; I136-Y189 HydrophobicContact CD1-CD1 3.75Å; I136-Y189 HydrophobicContact CD1-CD2 3.59Å; I136-Y189 HydrophobicContact CD1-CE1 3.99Å; I136-Y189 HydrophobicContact CD1-CE2 3.86Å; I136-Y189 HydrophobicContact CD1-CG 3.57Å; E185-Y189 HydrophobicContact CG-CE2 3.64Å; E185-Y189 WeakPolarHBondContact CG-OH 3.43Å; E185-Y189 PolarHBondContact O-N 3.39Å; E185-Y189 VanDerWaalsContact O-N 3.15Å; E185-Y189 VanDerWaalsContact OE1-CE2 3.23Å; E185-Y189 WeakPolarHBondContact OE1-CE2 3.46Å; E185-Y189 VanDerWaalsContact OE1-CZ 3.31Å; E185-Y189 PolarHBondContact OE1-OH 2.93Å; F186-Y189 AromaticContact CD1-CD2 3.68Å; F186-Y189 HydrophobicContact CD1-CD2 3.68Å; F186-Y189 AromaticContact CD1-CE2 3.99Å; F186-Y189 HydrophobicContact CD1-CE2 3.99Å; F186-Y189 HydrophobicContact CE1-CD2 4.06Å; F186-Y189 AromaticContact CE1-CE2 3.95Å; F186-Y189 HydrophobicContact CE1-CE2 3.95Å; F186-Y189 HydrophobicContact CG-CD2 4.32Å; F186-Y189 PolarHBondContact O-N 3.3Å; Y189-I192 PolarHBondContact O-N 2.92Å; Y189-V193 PolarHBondContact O-N 3.39Å; Y189-L246 HydrophobicContact CE1-CB 3.82Å; Y189-L246 VanDerWaalsContact OH-CB 3.28Å; Y189-L246 WeakPolarHBondContact OH-CB 3.48Å; Y189-L246 WeakPolarHBondContact OH-CD1 3.46Å; Y189-Q247 HydrophobicContact CD1-CG 4.23Å; Y189-Q247 HydrophobicContact CE1-CG 3.8Å; Y189-L250 HydrophobicContact CD1-CD2 3.94Å; Y189-L250 HydrophobicContact CG-CD2 4.24Å
190F93.3Very high84.5Confident22 Ų2232.8 Ų32.810%0.09619%0.188CC..Hα-helixtrans-66.1-39179.3-179.7-98000112.5L163 L167 F186 V187 S188 S194 K204 V205L163-F190 HydrophobicContact CD2-CB 3.91Å; L163-F190 HydrophobicContact CD2-CD2 4.34Å; L163-F190 HydrophobicContact CG-CB 4.23Å; L163-F190 HydrophobicContact CG-CD2 4.31Å; L167-F190 HydrophobicContact CD1-CB 3.83Å; L167-F190 HydrophobicContact CD1-CD1 4.13Å; L167-F190 HydrophobicContact CD1-CD2 3.56Å; L167-F190 HydrophobicContact CD1-CE2 4.13Å; L167-F190 HydrophobicContact CD1-CG 3.55Å; F186-F190 PolarHBondContact O-N 3.19Å; V187-F190 PolarHBondContact O-N 3.3Å; S188-F190 VanDerWaalsContact C-N 3.3Å; S188-F190 PolarHBondContact O-N 2.94Å; F190-S194 VanDerWaalsContact O-CB 3.3Å; F190-S194 WeakPolarHBondContact O-CB 3.26Å; F190-S194 PolarHBondContact O-N 3.34Å; F190-S194 PolarHBondContact O-OG 2.91Å; F190-K204 HydrophobicContact CE1-CB 4.1Å; F190-K204 HydrophobicContact CZ-CB 4.18Å; F190-K204 HydrophobicContact CZ-CD 4.12Å; F190-V205 HydrophobicContact CD1-CG2 4.15Å; F190-V205 HydrophobicContact CE1-CG2 4.25Å
191I91.5Very high82.3Confident1 Ų132.1 Ų32.11%0.00518%0.184CC..Hα-helixtrans-65-42.8173-69.4159.3000110.7V187 S188 S194 V205 V217 A220 L221 Y224V187-I191 HydrophobicContact CG1-CD1 4.23Å; V187-I191 WeakPolarHBondContact O-CD1 3.36Å; V187-I191 WeakPolarHBondContact O-CG1 3.34Å; V187-I191 PolarHBondContact O-N 2.85Å; V187-I191 VanDerWaalsContact O-N 3.16Å; S188-I191 PolarHBondContact O-N 3.26Å; I191-S194 PolarHBondContact O-N 2.89Å; I191-V205 HydrophobicContact CD1-CG2 4.28Å; I191-V205 HydrophobicContact CG1-CG2 3.83Å; I191-V217 HydrophobicContact CD1-CG1 3.78Å; I191-A220 HydrophobicContact CB-CB 3.91Å; I191-A220 HydrophobicContact CD1-CB 4.33Å; I191-A220 HydrophobicContact CG2-CB 3.79Å; I191-L221 HydrophobicContact CD1-CD2 4.04Å; I191-L221 HydrophobicContact CD1-CG 4.22Å; I191-Y224 HydrophobicContact CG2-CD2 4.35Å
192I91.9Very high80.5Confident1 Ų126.5 Ų26.51%0.00516%0.16CC..Hα-helixtrans-68.3-48.1-178.3-67.8165.4000111.9S188 Y189 S194 L195 F219 A220 Q247 L250 L251 F254S188-I192 VanDerWaalsContact O-CG1 3.31Å; S188-I192 WeakPolarHBondContact O-CG1 3.18Å; S188-I192 PolarHBondContact O-N 3.47Å; S188-I192 VanDerWaalsContact O-N 3.08Å; Y189-I192 PolarHBondContact O-N 2.92Å; I192-S194 PolarHBondContact O-N 2.93Å; I192-S194 VanDerWaalsContact O-N 3.16Å; I192-L195 HydrophobicContact CG2-CD1 4.18Å; I192-L195 WeakPolarHBondContact O-CB 3.26Å; I192-L195 WeakPolarHBondContact O-CD1 3.42Å; I192-L195 WeakPolarHBondContact O-CG 3.28Å; I192-L195 PolarHBondContact O-N 2.9Å; I192-F219 HydrophobicContact CD1-CD1 4.39Å; I192-F219 HydrophobicContact CD1-CE1 3.96Å; I192-A220 HydrophobicContact CD1-CB 4.18Å; I192-A220 HydrophobicContact CG1-CB 3.92Å; I192-Q247 HydrophobicContact CD1-CB 4.13Å; I192-Q247 HydrophobicContact CD1-CG 3.88Å; I192-L250 HydrophobicContact CB-CD2 3.86Å; I192-L250 HydrophobicContact CB-CG 4.41Å; I192-L250 HydrophobicContact CG2-CB 4.23Å; I192-L250 HydrophobicContact CG2-CD2 3.68Å; I192-L250 HydrophobicContact CG2-CG 3.67Å; I192-L251 HydrophobicContact CG1-CD2 4.47Å; I192-L251 HydrophobicContact CG2-CD2 3.49Å; I192-L251 VanDerWaalsContact CG2-CD2 3.49Å; I192-L251 HydrophobicContact CG2-CG 3.81Å; I192-F254 HydrophobicContact CG2-CE2 4.22Å; I192-F254 WeakPolarHBondContact O-CE2 3.49Å
193V89.7Confident78.3Confident24 Ų2426.8 Ų26.815%0.14516%0.158CC..Hα-helixtrans-65.7-19.3178.779.50000112L159 V160 L163 Y189 L250L159-V193 HydrophobicContact CD2-CG2 4.35Å; V160-V193 HydrophobicContact CG2-CG1 4.25Å; V160-V193 HydrophobicContact CG2-CG2 3.87Å; L163-V193 HydrophobicContact CD2-CG1 4.29Å; Y189-V193 PolarHBondContact O-N 3.39Å; V193-L250 HydrophobicContact CB-CD1 4.48Å; V193-L250 HydrophobicContact CB-CD2 4.48Å; V193-L250 HydrophobicContact CG2-CD1 4.44Å
194S86Confident76.5Confident11 Ų1133.4 Ų33.48%0.07719%0.187CC..THydrogen-bonded Turntrans-85.56174.3-58.40000114.9F190 I191 I192 T197F190-S194 VanDerWaalsContact O-CB 3.3Å; F190-S194 WeakPolarHBondContact O-CB 3.26Å; F190-S194 PolarHBondContact O-N 3.34Å; F190-S194 PolarHBondContact O-OG 2.91Å; I191-S194 PolarHBondContact O-N 2.89Å; I192-S194 PolarHBondContact O-N 2.93Å; I192-S194 VanDerWaalsContact O-N 3.16Å; S194-T197 PolarHBondContact O-N 3.34Å; S194-T197 PolarHBondContact O-OG1 3.12Å
195L85.1Confident75Confident1 Ų133.3 Ų33.31%0.00518%0.184CC..SBendtrans-58.2-41.8179-73.9166.5000114.1I192 I223 Y224 F227 F228 L251 F254I192-L195 HydrophobicContact CG2-CD1 4.18Å; I192-L195 WeakPolarHBondContact O-CB 3.26Å; I192-L195 WeakPolarHBondContact O-CD1 3.42Å; I192-L195 WeakPolarHBondContact O-CG 3.28Å; I192-L195 PolarHBondContact O-N 2.9Å; L195-I223 HydrophobicContact CD1-CG2 3.95Å; L195-I223 HydrophobicContact CD2-CG2 4.39Å; L195-Y224 HydrophobicContact CD2-CD2 3.92Å; L195-Y224 HydrophobicContact CD2-CG 4.29Å; L195-F227 HydrophobicContact CB-CD1 4.46Å; L195-F227 HydrophobicContact CB-CE1 4.25Å; L195-F227 HydrophobicContact CB-CZ 4.42Å; L195-F227 HydrophobicContact CD2-CB 4.11Å; L195-F227 HydrophobicContact CD2-CD1 4.01Å; L195-F227 HydrophobicContact CD2-CG 4.06Å; L195-F228 VanDerWaalsContact O-CZ 3.28Å; L195-F228 WeakPolarHBondContact O-CZ 3.32Å; L195-L251 HydrophobicContact CD1-CD2 3.73Å; L195-F254 HydrophobicContact CB-CE2 4.36Å; L195-F254 HydrophobicContact CD1-CD2 3.8Å; L195-F254 HydrophobicContact CD1-CE2 4Å
196P72.1Confident74Confident66 Ų6638.6 Ų38.643%0.42921%0.206SC..SBendtrans-76.1-26.9179.7-17.232.8000114V198 F254P196-V198 PolarHBondContact O-N 3.25Å; P196-F254 HydrophobicContact CG-CD1 4.14Å; P196-F254 HydrophobicContact CG-CE1 3.36Å; P196-F254 HydrophobicContact CG-CZ 3.9Å
197T66.5Low73.4Confident85 Ų8539.2 Ų39.252%0.52121%0.209SC..SBendtrans-81.5111.3-170.535.70000111.9S194 K199 G200S194-T197 PolarHBondContact O-N 3.34Å; S194-T197 PolarHBondContact O-OG1 3.12Å; T197-K199 PolarHBondContact O-N 2.98Å; T197-G200 PolarHBondContact O-N 3.16Å
198V50.8Low73Confident79 Ų7941.5 Ų41.548%0.47923%0.225SC..THydrogen-bonded Turntrans-31.879.3-160.4-167.80000116.5P196 G200 L795P196-V198 PolarHBondContact O-N 3.25Å; V198-G200 PolarHBondContact O-N 3.28Å; V198-L795 HydrophobicContact CB-CD1 4.04Å; V198-L795 HydrophobicContact CB-CD2 4.31Å; V198-L795 HydrophobicContact CG1-CD1 3.91Å; V198-L795 HydrophobicContact CG2-CD1 4.19Å
199K49.2Very low72.6Confident34 Ų3451 Ų5115%0.14826%0.26CS..THydrogen-bonded Turntrans50.116.8-177.9-64.1-163.2173.2-162.50115.3T197 F203 Y224 F228 V728T197-K199 PolarHBondContact O-N 2.98Å; K199-F203 VanDerWaalsContact O-CD2 3.28Å; K199-F203 WeakPolarHBondContact O-CD2 3.38Å; K199-F203 VanDerWaalsContact O-CE2 3.3Å; K199-F203 WeakPolarHBondContact O-CE2 3.32Å; K199-Y224 VanDerWaalsContact C-OH 3.28Å; K199-Y224 WeakPolarHBondContact CA-OH 3.28Å; K199-Y224 PolarHBondContact O-OH 3.47Å; K199-Y224 VanDerWaalsContact O-OH 3.08Å; K199-F228 HydrophobicContact CD-CD1 4.27Å; K199-F228 HydrophobicContact CD-CE1 4.42Å; K199-F228 HydrophobicContact CG-CD1 3.94Å; K199-F228 HydrophobicContact CG-CD2 4.39Å; K199-F228 HydrophobicContact CG-CE1 3.62Å; K199-F228 HydrophobicContact CG-CE2 4.12Å; K199-F228 HydrophobicContact CG-CG 4.32Å; K199-F228 HydrophobicContact CG-CZ 3.73Å; K199-V728 HydrophobicContact CD-CG1 4.07Å
200G43.3Very low72.3Confident32 Ų3256.9 Ų56.933%0.3330%0.296SS..THydrogen-bonded Turntrans-90.5-37.5-16300000114.4T197 V198 L202 F203T197-G200 PolarHBondContact O-N 3.16Å; V198-G200 PolarHBondContact O-N 3.28Å; G200-L202 VanDerWaalsContact C-N 3.27Å; G200-L202 PolarHBondContact O-N 3.16Å; G200-F203 WeakPolarHBondContact O-CB 3.21Å; G200-F203 PolarHBondContact O-N 3.07Å
201G46.2Very low72.3Confident5 Ų556.8 Ų56.85%0.05230%0.297CS..Hα-helixtrans-57.1-37.3-174.200000113.8F203 K204 V205G201-F203 PolarHBondContact O-N 2.59Å; G201-K204 WeakPolarHBondContact O-CB 3.38Å; G201-K204 PolarHBondContact O-N 3.25Å; G201-V205 PolarHBondContact O-N 3.08Å
202L56.6Low72.3Confident60 Ų6058.9 Ų58.931%0.31431%0.307SS..Hα-helixtrans-67-21.5180-143.4159.3000112.9G200 K204 L221 Y224G200-L202 VanDerWaalsContact C-N 3.27Å; G200-L202 PolarHBondContact O-N 3.16Å; L202-K204 VanDerWaalsContact C-N 3.35Å; L202-L221 HydrophobicContact CD1-CD2 3.66Å; L202-L221 HydrophobicContact CD2-CD2 4.06Å; L202-L221 HydrophobicContact CG-CD2 3.89Å; L202-Y224 HydrophobicContact CB-CE1 4.36Å; L202-Y224 HydrophobicContact CB-CE2 4.16Å; L202-Y224 HydrophobicContact CD1-CD1 3.39Å; L202-Y224 HydrophobicContact CD1-CD2 4.1Å; L202-Y224 HydrophobicContact CD1-CE1 3.31Å; L202-Y224 HydrophobicContact CD1-CE2 4.03Å; L202-Y224 HydrophobicContact CD1-CG 3.79Å; L202-Y224 HydrophobicContact CG-CE1 4.49Å
203F51.1Low72.3Confident67 Ų6764.3 Ų64.329%0.29433%0.333SS..Hα-helixtrans-76.2-21.8171-67.1-94.1000113K199 G200 G201 R725K199-F203 VanDerWaalsContact O-CD2 3.28Å; K199-F203 WeakPolarHBondContact O-CD2 3.38Å; K199-F203 VanDerWaalsContact O-CE2 3.3Å; K199-F203 WeakPolarHBondContact O-CE2 3.32Å; G200-F203 WeakPolarHBondContact O-CB 3.21Å; G200-F203 PolarHBondContact O-N 3.07Å; G201-F203 PolarHBondContact O-N 2.59Å; F203-R725 HydrophobicContact CE1-CG 3.88Å
204K57.2Low72.6Confident145 Ų14563.9 Ų63.963%0.6333%0.331SS*.Hα-helixtrans-80.3-18.8174.5-65.1-173.9173.4-173.30113.1F190 G201 L202 K206F190-K204 HydrophobicContact CE1-CB 4.1Å; F190-K204 HydrophobicContact CZ-CB 4.18Å; F190-K204 HydrophobicContact CZ-CD 4.12Å; G201-K204 WeakPolarHBondContact O-CB 3.38Å; G201-K204 PolarHBondContact O-N 3.25Å; L202-K204 VanDerWaalsContact C-N 3.35Å; K204-K206 PolarHBondContact O-N 3.03Å
205V64.2Low73.1Confident19 Ų1968.7 Ų68.712%0.11536%0.362CS..  trans-75.988.9177.3-169.50000109.4V187 F190 I191 G201 E207 L212V187-V205 HydrophobicContact CG1-CG1 4.01Å; F190-V205 HydrophobicContact CD1-CG2 4.15Å; F190-V205 HydrophobicContact CE1-CG2 4.25Å; I191-V205 HydrophobicContact CD1-CG2 4.28Å; I191-V205 HydrophobicContact CG1-CG2 3.83Å; G201-V205 PolarHBondContact O-N 3.08Å; V205-E207 HydrophobicContact CG1-CB 4.4Å; V205-E207 HydrophobicContact CG1-CG 4.1Å; V205-L212 HydrophobicContact CG1-CD2 3.68Å
206K76.3Confident73.6Confident153 Ų15369.7 Ų69.767%0.66537%0.37SS*.  trans-96.916175.3-67.3-174.4176.8-179.10112.7K204K204-K206 PolarHBondContact O-N 3.03Å
207E84.3Confident74.7Confident13 Ų1366.6 Ų66.66%0.06135%0.35CS..  trans-72154.9-166.7-52.9-45.4140.400114R171 R174 V187 V205 I211 L212R171-E207 IonicContact CZ-OE1 3.75Å; R171-E207 IonicContact NE-OE1 3.96Å; R171-E207 PolarHBondContact NE-OE1 3.44Å; R171-E207 IonicContact NH2-OE1 2.73Å; R171-E207 PolarHBondContact NH2-OE1 2.93Å; R174-E207 IonicContact CZ-OE2 2.72Å; R174-E207 IonicContact NH2-OE2 3.23Å; R174-E207 PolarHBondContact NH2-OE2 2.94Å; V187-E207 HydrophobicContact CG1-CG 4.39Å; V187-E207 HydrophobicContact CG2-CG 4.07Å; V205-E207 HydrophobicContact CG1-CB 4.4Å; V205-E207 HydrophobicContact CG1-CG 4.1Å; E207-I211 HydrophobicContact CB-CB 4.43Å; E207-I211 HydrophobicContact CB-CG2 4.09Å; E207-L212 WeakPolarHBondContact O-CD1 3.16Å; E207-L212 WeakPolarHBondContact O-CG 3.31Å
208P86.4Confident76Confident51 Ų5168 Ų6833%0.33135%0.349SS..  trans-52.1149.9179.4-2933.8000114.7V210 I211 L212P208-V210 PolarHBondContact O-N 2.94Å; P208-V210 VanDerWaalsContact O-N 3.13Å; P208-I211 HydrophobicContact CB-CD1 4.34Å; P208-I211 HydrophobicContact CG-CD1 4.15Å; P208-I211 PolarHBondContact O-N 2.61Å; P208-L212 PolarHBondContact O-N 2.89Å; P208-L212 VanDerWaalsContact O-N 3.07Å
209R86.8Confident78.2Confident200 Ų20064.8 Ų64.876%0.75533%0.329SS*.Hα-helixtrans-52.7-38.5-179.7-69.3-168.3-172.4176.85.9113.5I211 L212 E213R209-I211 VanDerWaalsContact C-N 3.26Å; R209-I211 PolarHBondContact O-N 3.33Å; R209-L212 PolarHBondContact O-N 3.22Å; R209-E213 VanDerWaalsContact O-CB 3.3Å; R209-E213 WeakPolarHBondContact O-CB 3.28Å; R209-E213 WeakPolarHBondContact O-CG 3.33Å; R209-E213 PolarHBondContact O-N 3.11Å
210V90.5Very high80.3Confident126 Ų12663.2 Ų63.276%0.76432%0.322SS*.Hα-helixtrans-57-40.9178.3-176.50000111.6P208 S214P208-V210 PolarHBondContact O-N 2.94Å; P208-V210 VanDerWaalsContact O-N 3.13Å; V210-S214 PolarHBondContact O-N 3.08Å
211I92.6Very high82.6Confident20 Ų2064.2 Ų64.210%0.10332%0.319CS..Hα-helixtrans-75-43.6177.9-70.6151.7000110.6E183 V187 E207 P208 R209 E213 S214 V217E183-I211 HydrophobicContact CG-CD1 4.1Å; E183-I211 VanDerWaalsContact OE2-CD1 3.23Å; E183-I211 WeakPolarHBondContact OE2-CD1 3.36Å; V187-I211 HydrophobicContact CB-CG2 4.18Å; V187-I211 HydrophobicContact CG1-CG2 4.24Å; V187-I211 HydrophobicContact CG2-CG2 3.99Å; E207-I211 HydrophobicContact CB-CB 4.43Å; E207-I211 HydrophobicContact CB-CG2 4.09Å; P208-I211 HydrophobicContact CB-CD1 4.34Å; P208-I211 HydrophobicContact CG-CD1 4.15Å; P208-I211 PolarHBondContact O-N 2.61Å; R209-I211 VanDerWaalsContact C-N 3.26Å; R209-I211 PolarHBondContact O-N 3.33Å; I211-E213 PolarHBondContact O-N 3.06Å; I211-S214 VanDerWaalsContact O-CB 3.27Å; I211-S214 WeakPolarHBondContact O-CB 3.43Å; I211-S214 PolarHBondContact O-N 3.45Å; I211-S214 VanDerWaalsContact O-N 3.17Å; I211-S214 PolarHBondContact O-OG 3.41Å; I211-V217 HydrophobicContact CG2-CG2 4.27Å; I211-V217 WeakPolarHBondContact O-CB 3.3Å; I211-V217 WeakPolarHBondContact O-CG2 3.35Å
212L90.8Very high84.9Confident44 Ų4464.6 Ų64.623%0.2332%0.323CS..Hα-helixtrans-61.3-30.3175.6-64.7178.8000113.4V205 E207 P208 R209 V217V205-L212 HydrophobicContact CG1-CD2 3.68Å; E207-L212 WeakPolarHBondContact O-CD1 3.16Å; E207-L212 WeakPolarHBondContact O-CG 3.31Å; P208-L212 PolarHBondContact O-N 2.89Å; P208-L212 VanDerWaalsContact O-N 3.07Å; R209-L212 PolarHBondContact O-N 3.22Å; L212-V217 HydrophobicContact CD2-CG1 4.29Å
213E92.8Very high86.6Confident116 Ų11661.8 Ų61.854%0.54231%0.308SS..THydrogen-bonded Turntrans-92.10.7179.9-68.8-175.9-148.300113.8R209 I211 K218R209-E213 VanDerWaalsContact O-CB 3.3Å; R209-E213 WeakPolarHBondContact O-CB 3.28Å; R209-E213 WeakPolarHBondContact O-CG 3.33Å; R209-E213 PolarHBondContact O-N 3.11Å; I211-E213 PolarHBondContact O-N 3.06Å; E213-K218 WeakPolarHBondContact O-CD 2.97Å; E213-K218 WeakPolarHBondContact O-CE 3.2Å; E213-K218 PolarHBondContact O-NZ 3.42Å
214S96.1Very high88.5Confident15 Ų1559.7 Ų59.711%0.10530%0.299CS..SBendtrans-62.7153.6172.269.60000112.4A184 V210 I211 A216 V217 K218A184-S214 WeakPolarHBondContact CB-OG 3.41Å; V210-S214 PolarHBondContact O-N 3.08Å; I211-S214 VanDerWaalsContact O-CB 3.27Å; I211-S214 WeakPolarHBondContact O-CB 3.43Å; I211-S214 PolarHBondContact O-N 3.45Å; I211-S214 VanDerWaalsContact O-N 3.17Å; I211-S214 PolarHBondContact O-OG 3.41Å; S214-A216 VanDerWaalsContact C-N 3.33Å; S214-A216 PolarHBondContact O-N 3.14Å; S214-V217 PolarHBondContact O-N 3.07Å; S214-V217 WeakPolarHBondContact OG-CB 3.34Å; S214-V217 WeakPolarHBondContact OG-CG2 3.28Å; S214-V217 PolarHBondContact OG-N 3.08Å; S214-K218 VanDerWaalsContact O-CB 3.31Å; S214-K218 WeakPolarHBondContact O-CB 3.5Å; S214-K218 WeakPolarHBondContact O-CG 3.27Å; S214-K218 PolarHBondContact O-N 2.9Å
215P96.3Very high90.1Very high112 Ų11257.9 Ų57.973%0.72729%0.291SS*.Hα-helixtrans-58.7-41.8175.5-25.335.2000113.1K218 F219P215-K218 PolarHBondContact O-N 3.31Å; P215-F219 WeakPolarHBondContact O-CB 3.12Å; P215-F219 PolarHBondContact O-N 2.94Å
216A95.5Very high91.4Very high22 Ų2257 Ų5718%0.18229%0.285CS..Hα-helixtrans-63.6-45.4-178.900000112.3S188 S214 F219 A220S188-A216 VanDerWaalsContact CB-O 3.23Å; S188-A216 WeakPolarHBondContact CB-O 3.33Å; S214-A216 VanDerWaalsContact C-N 3.33Å; S214-A216 PolarHBondContact O-N 3.14Å; A216-F219 WeakPolarHBondContact O-CB 3.26Å; A216-F219 PolarHBondContact O-N 3.03Å; A216-A220 PolarHBondContact O-N 2.91Å; A216-A220 VanDerWaalsContact O-N 3.11Å
217V94.9Very high92Very high0 Ų051.2 Ų51.20%026%0.26CS..Hα-helixtrans-71.9-38.5177.4178.70000111.2A184 V187 I191 I211 L212 S214 F219 A220 L221A184-V217 WeakPolarHBondContact O-CG2 3.32Å; V187-V217 HydrophobicContact CB-CG2 3.93Å; V187-V217 HydrophobicContact CG1-CG1 4.45Å; V187-V217 HydrophobicContact CG1-CG2 3.71Å; I191-V217 HydrophobicContact CD1-CG1 3.78Å; I211-V217 HydrophobicContact CG2-CG2 4.27Å; I211-V217 WeakPolarHBondContact O-CB 3.3Å; I211-V217 WeakPolarHBondContact O-CG2 3.35Å; L212-V217 HydrophobicContact CD2-CG1 4.29Å; S214-V217 PolarHBondContact O-N 3.07Å; S214-V217 WeakPolarHBondContact OG-CB 3.34Å; S214-V217 WeakPolarHBondContact OG-CG2 3.28Å; S214-V217 PolarHBondContact OG-N 3.08Å; V217-F219 VanDerWaalsContact C-N 3.32Å; V217-F219 PolarHBondContact O-N 3.26Å; V217-A220 PolarHBondContact O-N 3.46Å; V217-L221 HydrophobicContact CG1-CD1 3.84Å; V217-L221 HydrophobicContact CG1-CG 4.09Å; V217-L221 WeakPolarHBondContact O-CB 3.29Å; V217-L221 VanDerWaalsContact O-CG 3.26Å; V217-L221 WeakPolarHBondContact O-CG 3.23Å; V217-L221 PolarHBondContact O-N 3.22Å
218K95Very high92.1Very high115 Ų11552.6 Ų52.650%0.527%0.266SS..Hα-helixtrans-58.5-40.8172.1-79.4170.7170.5152.40112.3E213 S214 P215 G222E213-K218 WeakPolarHBondContact O-CD 2.97Å; E213-K218 WeakPolarHBondContact O-CE 3.2Å; E213-K218 PolarHBondContact O-NZ 3.42Å; S214-K218 VanDerWaalsContact O-CB 3.31Å; S214-K218 WeakPolarHBondContact O-CB 3.5Å; S214-K218 WeakPolarHBondContact O-CG 3.27Å; S214-K218 PolarHBondContact O-N 2.9Å; P215-K218 PolarHBondContact O-N 3.31Å; K218-G222 PolarHBondContact O-N 3.47Å
219F95.4Very high92.2Very high12 Ų1253.7 Ų53.75%0.05327%0.269CS..Hα-helixtrans-58.9-53.3172.3167.1-90.6000111.4I192 P215 A216 V217 L221 G222 I223 R238 D242 A243 Q247 L251I192-F219 HydrophobicContact CD1-CD1 4.39Å; I192-F219 HydrophobicContact CD1-CE1 3.96Å; P215-F219 WeakPolarHBondContact O-CB 3.12Å; P215-F219 PolarHBondContact O-N 2.94Å; A216-F219 WeakPolarHBondContact O-CB 3.26Å; A216-F219 PolarHBondContact O-N 3.03Å; V217-F219 VanDerWaalsContact C-N 3.32Å; V217-F219 PolarHBondContact O-N 3.26Å; F219-L221 PolarHBondContact O-N 2.92Å; F219-G222 CarbonylContact O-C 3.56Å; F219-G222 WeakPolarHBondContact O-CA 3.36Å; F219-G222 PolarHBondContact O-N 3.43Å; F219-I223 HydrophobicContact CD1-CG1 4.22Å; F219-I223 HydrophobicContact CD2-CG1 4.42Å; F219-I223 HydrophobicContact CE1-CD1 4.45Å; F219-I223 HydrophobicContact CE1-CG1 3.66Å; F219-I223 HydrophobicContact CE2-CD1 4.08Å; F219-I223 HydrophobicContact CE2-CG1 3.92Å; F219-I223 HydrophobicContact CZ-CD1 3.8Å; F219-I223 HydrophobicContact CZ-CG1 3.49Å; F219-I223 VanDerWaalsContact CZ-CG1 3.49Å; F219-I223 PolarHBondContact O-N 3.41Å; F219-R238 HydrophobicContact CD2-CG 3.89Å; F219-R238 HydrophobicContact CE2-CG 3.75Å; F219-D242 HydrophobicContact CD2-CB 3.6Å; F219-D242 WeakPolarHBondContact CD2-O 3.26Å; F219-D242 HydrophobicContact CE2-CB 3.95Å; F219-A243 HydrophobicContact CE1-CB 4.36Å; F219-A243 VanDerWaalsContact CE2-CA 3.49Å; F219-A243 HydrophobicContact CE2-CB 3.64Å; F219-A243 HydrophobicContact CZ-CB 3.44Å; F219-A243 VanDerWaalsContact CZ-CB 3.44Å; F219-Q247 VanDerWaalsContact CD1-CD 3.43Å; F219-Q247 HydrophobicContact CD1-CG 4.32Å; F219-Q247 VanDerWaalsContact CD1-OE1 3.25Å; F219-Q247 HydrophobicContact CE1-CB 3.83Å; F219-Q247 HydrophobicContact CE1-CG 4.07Å; F219-Q247 HydrophobicContact CZ-CB 4.36Å; F219-L251 HydrophobicContact CE1-CD1 3.92Å; F219-L251 HydrophobicContact CZ-CD1 3.72Å
220A94.7Very high92.1Very high0 Ų047.8 Ų47.80%025%0.252CS..Hα-helixtrans-64.7-38-176.300000112.8I191 I192 A216 V217 G222 I223 Y224I191-A220 HydrophobicContact CB-CB 3.91Å; I191-A220 HydrophobicContact CD1-CB 4.33Å; I191-A220 HydrophobicContact CG2-CB 3.79Å; I192-A220 HydrophobicContact CD1-CB 4.18Å; I192-A220 HydrophobicContact CG1-CB 3.92Å; A216-A220 PolarHBondContact O-N 2.91Å; A216-A220 VanDerWaalsContact O-N 3.11Å; V217-A220 PolarHBondContact O-N 3.46Å; A220-G222 VanDerWaalsContact C-N 3.33Å; A220-I223 PolarHBondContact O-N 2.68Å; A220-Y224 WeakPolarHBondContact O-CB 3.45Å; A220-Y224 PolarHBondContact O-N 3.29Å
221L91.9Very high92.1Very high54 Ų5445 Ų4528%0.28323%0.233SC..Hα-helixtrans-65.2-35.5171.8-68.1173.5000112I191 L202 V217 F219 K225I191-L221 HydrophobicContact CD1-CD2 4.04Å; I191-L221 HydrophobicContact CD1-CG 4.22Å; L202-L221 HydrophobicContact CD1-CD2 3.66Å; L202-L221 HydrophobicContact CD2-CD2 4.06Å; L202-L221 HydrophobicContact CG-CD2 3.89Å; V217-L221 HydrophobicContact CG1-CD1 3.84Å; V217-L221 HydrophobicContact CG1-CG 4.09Å; V217-L221 WeakPolarHBondContact O-CB 3.29Å; V217-L221 VanDerWaalsContact O-CG 3.26Å; V217-L221 WeakPolarHBondContact O-CG 3.23Å; V217-L221 PolarHBondContact O-N 3.22Å; F219-L221 PolarHBondContact O-N 2.92Å; L221-K225 PolarHBondContact O-N 3.24Å
222G93.5Very high92Very high13 Ų1346 Ų4613%0.13424%0.236CC..Hα-helixtrans-62.9-53.217200000112.1K218 F219 A220 Y224 K225 D226K218-G222 PolarHBondContact O-N 3.47Å; F219-G222 CarbonylContact O-C 3.56Å; F219-G222 WeakPolarHBondContact O-CA 3.36Å; F219-G222 PolarHBondContact O-N 3.43Å; A220-G222 VanDerWaalsContact C-N 3.33Å; G222-Y224 VanDerWaalsContact C-N 3.3Å; G222-Y224 PolarHBondContact O-N 3.22Å; G222-K225 WeakPolarHBondContact O-CB 3.4Å; G222-K225 PolarHBondContact O-N 3.28Å; G222-D226 PolarHBondContact O-N 3.07Å
223I93Very high92.1Very high0 Ų045.5 Ų45.50%023%0.233CC..Hα-helixtrans-53.9-46.9174.4-69.4-67.5000111.1L195 F219 A220 K225 D226 F227 F235 R238 V239 L251L195-I223 HydrophobicContact CD1-CG2 3.95Å; L195-I223 HydrophobicContact CD2-CG2 4.39Å; F219-I223 HydrophobicContact CD1-CG1 4.22Å; F219-I223 HydrophobicContact CD2-CG1 4.42Å; F219-I223 HydrophobicContact CE1-CD1 4.45Å; F219-I223 HydrophobicContact CE1-CG1 3.66Å; F219-I223 HydrophobicContact CE2-CD1 4.08Å; F219-I223 HydrophobicContact CE2-CG1 3.92Å; F219-I223 HydrophobicContact CZ-CD1 3.8Å; F219-I223 HydrophobicContact CZ-CG1 3.49Å; F219-I223 VanDerWaalsContact CZ-CG1 3.49Å; F219-I223 PolarHBondContact O-N 3.41Å; A220-I223 PolarHBondContact O-N 2.68Å; I223-K225 PolarHBondContact O-N 2.95Å; I223-D226 PolarHBondContact O-N 2.9Å; I223-F227 WeakPolarHBondContact O-CB 3.38Å; I223-F227 PolarHBondContact O-N 3.05Å; I223-F235 HydrophobicContact CD1-CD2 4.3Å; I223-F235 HydrophobicContact CD1-CE2 4.42Å; I223-F235 HydrophobicContact CG2-CD2 4.08Å; I223-F235 HydrophobicContact CG2-CE2 3.69Å; I223-R238 HydrophobicContact CD1-CB 4.04Å; I223-R238 HydrophobicContact CD1-CG 3.87Å; I223-R238 HydrophobicContact CG1-CG 4.34Å; I223-V239 HydrophobicContact CD1-CG2 3.7Å; I223-L251 HydrophobicContact CD1-CD1 4.12Å; I223-L251 HydrophobicContact CG1-CD1 4.17Å; I223-L251 HydrophobicContact CG2-CD1 4.47Å; I223-L251 HydrophobicContact CG2-CD2 3.74Å
224Y90.5Very high92.1Very high24 Ų2441 Ų419%0.09422%0.216CC..Hα-helixtrans-60.3-42.8179.2-177.8-78.7000112.5I191 L195 K199 L202 A220 G222 F228I191-Y224 HydrophobicContact CG2-CD2 4.35Å; L195-Y224 HydrophobicContact CD2-CD2 3.92Å; L195-Y224 HydrophobicContact CD2-CG 4.29Å; K199-Y224 VanDerWaalsContact C-OH 3.28Å; K199-Y224 WeakPolarHBondContact CA-OH 3.28Å; K199-Y224 PolarHBondContact O-OH 3.47Å; K199-Y224 VanDerWaalsContact O-OH 3.08Å; L202-Y224 HydrophobicContact CB-CE1 4.36Å; L202-Y224 HydrophobicContact CB-CE2 4.16Å; L202-Y224 HydrophobicContact CD1-CD1 3.39Å; L202-Y224 HydrophobicContact CD1-CD2 4.1Å; L202-Y224 HydrophobicContact CD1-CE1 3.31Å; L202-Y224 HydrophobicContact CD1-CE2 4.03Å; L202-Y224 HydrophobicContact CD1-CG 3.79Å; L202-Y224 HydrophobicContact CG-CE1 4.49Å; A220-Y224 WeakPolarHBondContact O-CB 3.45Å; A220-Y224 PolarHBondContact O-N 3.29Å; G222-Y224 VanDerWaalsContact C-N 3.3Å; G222-Y224 PolarHBondContact O-N 3.22Å; Y224-F228 AromaticContact CD1-CD2 3.83Å; Y224-F228 HydrophobicContact CD1-CD2 3.83Å; Y224-F228 HydrophobicContact CD1-CE2 4.38Å; Y224-F228 HydrophobicContact CD2-CD2 4.14Å; Y224-F228 AromaticContact CD2-CE2 3.94Å; Y224-F228 HydrophobicContact CD2-CE2 3.94Å; Y224-F228 AromaticContact CE1-CD2 3.62Å; Y224-F228 HydrophobicContact CE1-CD2 3.62Å; Y224-F228 AromaticContact CE1-CE2 3.99Å; Y224-F228 HydrophobicContact CE1-CE2 3.99Å; Y224-F228 AromaticContact CE2-CD2 3.95Å; Y224-F228 HydrophobicContact CE2-CD2 3.95Å; Y224-F228 AromaticContact CE2-CE2 3.5Å; Y224-F228 HydrophobicContact CE2-CE2 3.5Å; Y224-F228 VanDerWaalsContact CE2-CE2 3.5Å; Y224-F228 HydrophobicContact CG-CD2 4.1Å; Y224-F228 HydrophobicContact CG-CE2 4.37Å; Y224-F228 AromaticContact CZ-CD2 3.7Å; Y224-F228 AromaticContact CZ-CE2 3.54Å; Y224-F228 WeakPolarHBondContact O-CB 3.31Å; Y224-F228 WeakPolarHBondContact O-CD2 3.34Å; Y224-F228 PolarHBondContact O-N 3.44Å; Y224-F228 VanDerWaalsContact O-N 3.12Å
225K90.5Very high92Very high106 Ų10640.4 Ų40.446%0.46121%0.211SC..Hα-helixtrans-59.9-55.7173.6-179.5-162.3149.6-94.10110.3L221 G222 I223 F227 F228 D229L221-K225 PolarHBondContact O-N 3.24Å; G222-K225 WeakPolarHBondContact O-CB 3.4Å; G222-K225 PolarHBondContact O-N 3.28Å; I223-K225 PolarHBondContact O-N 2.95Å; K225-F227 VanDerWaalsContact C-N 3.29Å; K225-F227 PolarHBondContact O-N 3.42Å; K225-F228 PolarHBondContact O-N 3.48Å; K225-F228 VanDerWaalsContact O-N 3.1Å; K225-D229 PolarHBondContact O-N 3.22Å
226D91.6Very high91.8Very high1 Ų135.2 Ų35.21%0.00518%0.177CC..Hα-helixtrans-64.8-36.4-170.4-58.3-24.6000111G222 I223 I230 D231 A234 F235 R238G222-D226 PolarHBondContact O-N 3.07Å; I223-D226 PolarHBondContact O-N 2.9Å; D226-I230 PolarHBondContact O-N 3.46Å; D226-I230 VanDerWaalsContact O-N 3.11Å; D226-D231 PolarHBondContact O-N 3.5Å; D226-A234 HydrophobicContact CB-CB 4.17Å; D226-F235 HydrophobicContact CB-CB 4.28Å; D226-R238 IonicContact OD1-NH2 2.84Å; D226-R238 IonicContact OD2-CZ 2.94Å; D226-R238 VanDerWaalsContact OD2-CZ 3.23Å; D226-R238 IonicContact OD2-NE 3.49Å; D226-R238 PolarHBondContact OD2-NE 2.72Å; D226-R238 IonicContact OD2-NH2 3.23Å; D226-R238 PolarHBondContact OD2-NH2 3.06Å
227F89.6Confident91.6Very high31 Ų3141.9 Ų41.914%0.13620%0.197CC..Hα-helixtrans-61-49.3169.7-176.8-94.1000113L195 I223 K225 I230 F235 L257 V258L195-F227 HydrophobicContact CB-CD1 4.46Å; L195-F227 HydrophobicContact CB-CE1 4.25Å; L195-F227 HydrophobicContact CB-CZ 4.42Å; L195-F227 HydrophobicContact CD2-CB 4.11Å; L195-F227 HydrophobicContact CD2-CD1 4.01Å; L195-F227 HydrophobicContact CD2-CG 4.06Å; I223-F227 WeakPolarHBondContact O-CB 3.38Å; I223-F227 PolarHBondContact O-N 3.05Å; K225-F227 VanDerWaalsContact C-N 3.29Å; K225-F227 PolarHBondContact O-N 3.42Å; F227-I230 PolarHBondContact O-N 2.77Å; F227-F235 HydrophobicContact CB-CD2 4.23Å; F227-F235 HydrophobicContact CB-CE2 4.36Å; F227-F235 HydrophobicContact CD2-CE2 4.12Å; F227-L257 HydrophobicContact CE2-CD2 4.1Å; F227-L257 HydrophobicContact CZ-CD2 3.92Å; F227-V258 HydrophobicContact CD2-CG2 3.64Å; F227-V258 HydrophobicContact CE2-CG2 3.74Å
228F85.7Confident91.5Very high42 Ų4244.9 Ų44.918%0.18421%0.209CC..Hα-helixtrans-79.5-15.4-177.2-84.3-62.9000115.3L195 K199 Y224 K225 R735L195-F228 VanDerWaalsContact O-CZ 3.28Å; L195-F228 WeakPolarHBondContact O-CZ 3.32Å; K199-F228 HydrophobicContact CD-CD1 4.27Å; K199-F228 HydrophobicContact CD-CE1 4.42Å; K199-F228 HydrophobicContact CG-CD1 3.94Å; K199-F228 HydrophobicContact CG-CD2 4.39Å; K199-F228 HydrophobicContact CG-CE1 3.62Å; K199-F228 HydrophobicContact CG-CE2 4.12Å; K199-F228 HydrophobicContact CG-CG 4.32Å; K199-F228 HydrophobicContact CG-CZ 3.73Å; Y224-F228 AromaticContact CD1-CD2 3.83Å; Y224-F228 HydrophobicContact CD1-CD2 3.83Å; Y224-F228 HydrophobicContact CD1-CE2 4.38Å; Y224-F228 HydrophobicContact CD2-CD2 4.14Å; Y224-F228 AromaticContact CD2-CE2 3.94Å; Y224-F228 HydrophobicContact CD2-CE2 3.94Å; Y224-F228 AromaticContact CE1-CD2 3.62Å; Y224-F228 HydrophobicContact CE1-CD2 3.62Å; Y224-F228 AromaticContact CE1-CE2 3.99Å; Y224-F228 HydrophobicContact CE1-CE2 3.99Å; Y224-F228 AromaticContact CE2-CD2 3.95Å; Y224-F228 HydrophobicContact CE2-CD2 3.95Å; Y224-F228 AromaticContact CE2-CE2 3.5Å; Y224-F228 HydrophobicContact CE2-CE2 3.5Å; Y224-F228 VanDerWaalsContact CE2-CE2 3.5Å; Y224-F228 HydrophobicContact CG-CD2 4.1Å; Y224-F228 HydrophobicContact CG-CE2 4.37Å; Y224-F228 AromaticContact CZ-CD2 3.7Å; Y224-F228 AromaticContact CZ-CE2 3.54Å; Y224-F228 WeakPolarHBondContact O-CB 3.31Å; Y224-F228 WeakPolarHBondContact O-CD2 3.34Å; Y224-F228 PolarHBondContact O-N 3.44Å; Y224-F228 VanDerWaalsContact O-N 3.12Å; K225-F228 PolarHBondContact O-N 3.48Å; K225-F228 VanDerWaalsContact O-N 3.1Å; F228-R735 PolarHBondContact O-NH1 2.93Å
229D87.3Confident91.3Very high75 Ų7540.4 Ų40.440%0.40119%0.191SC..Hα-helixtrans-91.3-6.6167.7-73.4-29.3000113K225 D231 R735K225-D229 PolarHBondContact O-N 3.22Å; D229-D231 PolarHBondContact O-N 3.1Å; D229-R735 IonicContact OD1-CZ 3.13Å; D229-R735 IonicContact OD1-NH1 3.68Å; D229-R735 IonicContact OD1-NH2 2.67Å; D229-R735 PolarHBondContact OD1-NH2 3.12Å
230I84.7Confident90.9Very high76 Ų7645.5 Ų45.539%0.3922%0.215SC..THydrogen-bonded Turntrans61.532.5-178-33.4178.4000111.5D226 F227 Y232 N261 V265D226-I230 PolarHBondContact O-N 3.46Å; D226-I230 VanDerWaalsContact O-N 3.11Å; F227-I230 PolarHBondContact O-N 2.77Å; I230-Y232 VanDerWaalsContact C-N 3.28Å; I230-Y232 HydrophobicContact CG2-CD1 4.49Å; I230-Y232 VanDerWaalsContact O-CD1 3.27Å; I230-Y232 WeakPolarHBondContact O-CD1 3.41Å; I230-Y232 PolarHBondContact O-N 3.39Å; I230-Y232 VanDerWaalsContact O-N 3.12Å; I230-N261 HydrophobicContact CG2-CB 4.44Å; I230-V265 HydrophobicContact CG2-CG2 4.24Å
231D91.8Very high90.5Very high67 Ų6754.7 Ų54.736%0.35825%0.249SC..  trans-84.876.3169.7-169.4-16.5000108.9D226 D229 I233 A234 F235D226-D231 PolarHBondContact O-N 3.5Å; D229-D231 PolarHBondContact O-N 3.1Å; D231-I233 PolarHBondContact O-N 2.91Å; D231-I233 PolarHBondContact OD1-N 3.49Å; D231-A234 HydrophobicContact CB-CB 4.06Å; D231-A234 PolarHBondContact O-N 2.92Å; D231-A234 WeakPolarHBondContact OD1-CB 3.26Å; D231-A234 PolarHBondContact OD1-N 3.33Å; D231-A234 WeakPolarHBondContact OD2-CB 3.39Å; D231-F235 WeakPolarHBondContact O-CB 3.41Å; D231-F235 PolarHBondContact O-N 3.17Å
232Y90.6Very high90.4Very high42 Ų4254.9 Ų54.917%0.16525%0.251CS..Hα-helixtrans-60.9-30.7-179.846.2-98.4000112.5I230 F235 F236 A262 V265 M266 F286I230-Y232 VanDerWaalsContact C-N 3.28Å; I230-Y232 HydrophobicContact CG2-CD1 4.49Å; I230-Y232 VanDerWaalsContact O-CD1 3.27Å; I230-Y232 WeakPolarHBondContact O-CD1 3.41Å; I230-Y232 PolarHBondContact O-N 3.39Å; I230-Y232 VanDerWaalsContact O-N 3.12Å; Y232-F235 PolarHBondContact O-N 2.99Å; Y232-F236 WeakPolarHBondContact O-CD2 3.29Å; Y232-F236 PolarHBondContact O-N 3.22Å; Y232-A262 HydrophobicContact CD1-CB 3.43Å; Y232-A262 VanDerWaalsContact CD1-CB 3.43Å; Y232-A262 HydrophobicContact CD2-CB 3.82Å; Y232-A262 HydrophobicContact CE1-CB 3.93Å; Y232-A262 HydrophobicContact CE2-CB 4.26Å; Y232-A262 HydrophobicContact CG-CB 3.36Å; Y232-V265 HydrophobicContact CE1-CG1 4.42Å; Y232-M266 HydrophobicContact CE2-SD 4.33Å; Y232-M266 WeakPolarHBondContact OH-CG 3.3Å; Y232-F286 HydrophobicContact CD2-CD1 4.43Å; Y232-F286 AromaticContact CD2-CE1 3.58Å; Y232-F286 HydrophobicContact CD2-CE1 3.58Å; Y232-F286 HydrophobicContact CD2-CZ 4.45Å; Y232-F286 AromaticContact CE2-CE1 4Å; Y232-F286 HydrophobicContact CE2-CE1 4Å; Y232-F286 HydrophobicContact CG-CE1 4.23Å
233I92.3Very high90.3Very high33 Ų3355.7 Ų55.717%0.16926%0.256CS..Hα-helixtrans-70.4-44.3177.4-59.2-59.9000110.8D231 R237 W285D231-I233 PolarHBondContact O-N 2.91Å; D231-I233 PolarHBondContact OD1-N 3.49Å; I233-R237 WeakPolarHBondContact O-CB 3.41Å; I233-R237 VanDerWaalsContact O-CG 3.26Å; I233-R237 WeakPolarHBondContact O-CG 3.4Å; I233-R237 PolarHBondContact O-N 3.31Å; I233-R237 VanDerWaalsContact O-N 3.17Å; I233-W285 HydrophobicContact CD1-CB 3.71Å; I233-W285 HydrophobicContact CD1-CD2 3.83Å; I233-W285 HydrophobicContact CD1-CE3 4.05Å; I233-W285 HydrophobicContact CD1-CG 3.69Å
234A93.3Very high90.2Very high22 Ų2258.9 Ų58.918%0.18228%0.276CS..Hα-helixtrans-64.5-41.9173.400000111.6D226 D231 R238D226-A234 HydrophobicContact CB-CB 4.17Å; D231-A234 HydrophobicContact CB-CB 4.06Å; D231-A234 PolarHBondContact O-N 2.92Å; D231-A234 WeakPolarHBondContact OD1-CB 3.26Å; D231-A234 PolarHBondContact OD1-N 3.33Å; D231-A234 WeakPolarHBondContact OD2-CB 3.39Å; A234-R238 VanDerWaalsContact O-CB 3.23Å; A234-R238 WeakPolarHBondContact O-CB 3.42Å; A234-R238 PolarHBondContact O-N 3.39Å
235F93.5Very high90.1Very high1 Ų159.3 Ų59.30%0.00428%0.278CS..Hα-helixtrans-56.5-58.3176.2179.4-83.7000111.6I223 D226 F227 D231 Y232 R237 R238 V239 L251 L255 V258I223-F235 HydrophobicContact CD1-CD2 4.3Å; I223-F235 HydrophobicContact CD1-CE2 4.42Å; I223-F235 HydrophobicContact CG2-CD2 4.08Å; I223-F235 HydrophobicContact CG2-CE2 3.69Å; D226-F235 HydrophobicContact CB-CB 4.28Å; F227-F235 HydrophobicContact CB-CD2 4.23Å; F227-F235 HydrophobicContact CB-CE2 4.36Å; F227-F235 HydrophobicContact CD2-CE2 4.12Å; D231-F235 WeakPolarHBondContact O-CB 3.41Å; D231-F235 PolarHBondContact O-N 3.17Å; Y232-F235 PolarHBondContact O-N 2.99Å; F235-R237 PolarHBondContact O-N 3.16Å; F235-R238 PolarHBondContact O-N 3.33Å; F235-R238 VanDerWaalsContact O-N 3.16Å; F235-V239 HydrophobicContact CD1-CG2 4.24Å; F235-V239 HydrophobicContact CE1-CG2 3.97Å; F235-V239 HydrophobicContact CZ-CG2 4.28Å; F235-V239 WeakPolarHBondContact O-CG2 3.42Å; F235-V239 PolarHBondContact O-N 3.29Å; F235-L251 HydrophobicContact CZ-CD2 4.39Å; F235-L255 HydrophobicContact CE1-CD2 3.76Å; F235-L255 HydrophobicContact CZ-CD2 4.2Å; F235-V258 HydrophobicContact CD1-CB 4.42Å; F235-V258 HydrophobicContact CD1-CG1 3.87Å; F235-V258 HydrophobicContact CD1-CG2 4.33Å; F235-V258 HydrophobicContact CE1-CB 4.22Å; F235-V258 HydrophobicContact CE1-CG1 4.18Å; F235-V258 HydrophobicContact CE1-CG2 3.93Å; F235-V258 HydrophobicContact CE2-CG2 4.13Å; F235-V258 HydrophobicContact CG-CG1 4.25Å; F235-V258 HydrophobicContact CZ-CG2 3.83Å
236F92.2Very high90.3Very high3 Ų354.6 Ų54.61%0.01326%0.258CS..Hα-helixtrans-65.4-39.1-175.8-80.2-66.4000113Y232 R238 V239 Q240 L255 V258 R259 W285 F286 S287Y232-F236 WeakPolarHBondContact O-CD2 3.29Å; Y232-F236 PolarHBondContact O-N 3.22Å; F236-R238 VanDerWaalsContact C-N 3.35Å; F236-R238 PolarHBondContact O-N 2.81Å; F236-V239 PolarHBondContact O-N 3.29Å; F236-Q240 WeakPolarHBondContact O-CG 3.2Å; F236-Q240 PolarHBondContact O-N 3.31Å; F236-L255 HydrophobicContact CE1-CB 4.11Å; F236-L255 HydrophobicContact CE1-CD2 3.96Å; F236-L255 HydrophobicContact CE1-CG 4.45Å; F236-L255 HydrophobicContact CZ-CB 4.37Å; F236-V258 HydrophobicContact CD2-CG1 4.41Å; F236-V258 HydrophobicContact CE2-CB 4.25Å; F236-V258 HydrophobicContact CE2-CG1 3.66Å; F236-V258 HydrophobicContact CZ-CB 4.21Å; F236-V258 HydrophobicContact CZ-CG1 4.1Å; F236-R259 HydrophobicContact CE2-CG 4.31Å; F236-R259 HydrophobicContact CZ-CG 3.89Å; F236-W285 WeakPolarHBondContact CB-O 3.43Å; F236-W285 WeakPolarHBondContact CD2-O 3.3Å; F236-F286 HydrophobicContact CD2-CB 4.35Å; F236-F286 AromaticContact CD2-CD1 3.98Å; F236-F286 HydrophobicContact CD2-CD1 3.98Å; F236-F286 WeakPolarHBondContact CE1-O 3.18Å; F236-F286 HydrophobicContact CE2-CB 4.08Å; F236-F286 AromaticContact CE2-CD1 3.92Å; F236-F286 HydrophobicContact CE2-CD1 3.92Å; F236-F286 HydrophobicContact CE2-CG 4.37Å; F236-F286 HydrophobicContact CZ-CB 4.4Å; F236-S287 WeakPolarHBondContact CD1-OG 3.32Å
237R91.1Very high90.4Very high163 Ų16354.7 Ų54.762%0.61526%0.258SS*.Hα-helixtrans-61.4-41172.4-72.5175.4-176.81612.6112.5I233 F235 Q240 R241I233-R237 WeakPolarHBondContact O-CB 3.41Å; I233-R237 VanDerWaalsContact O-CG 3.26Å; I233-R237 WeakPolarHBondContact O-CG 3.4Å; I233-R237 PolarHBondContact O-N 3.31Å; I233-R237 VanDerWaalsContact O-N 3.17Å; F235-R237 PolarHBondContact O-N 3.16Å; R237-Q240 PolarHBondContact O-N 3.38Å; R237-R241 VanDerWaalsContact O-CB 3.3Å; R237-R241 WeakPolarHBondContact O-CB 3.29Å; R237-R241 PolarHBondContact O-N 3.34Å
238R93.1Very high90.5Very high63 Ų6354 Ų5424%0.23826%0.259CS..Hα-helixtrans-65.5-42.6177.3-172.4-179.8-51.2-65.60.5110.9F219 I223 D226 A234 F235 F236 R241 D242F219-R238 HydrophobicContact CD2-CG 3.89Å; F219-R238 HydrophobicContact CE2-CG 3.75Å; I223-R238 HydrophobicContact CD1-CB 4.04Å; I223-R238 HydrophobicContact CD1-CG 3.87Å; I223-R238 HydrophobicContact CG1-CG 4.34Å; D226-R238 IonicContact OD1-NH2 2.84Å; D226-R238 IonicContact OD2-CZ 2.94Å; D226-R238 VanDerWaalsContact OD2-CZ 3.23Å; D226-R238 IonicContact OD2-NE 3.49Å; D226-R238 PolarHBondContact OD2-NE 2.72Å; D226-R238 IonicContact OD2-NH2 3.23Å; D226-R238 PolarHBondContact OD2-NH2 3.06Å; A234-R238 VanDerWaalsContact O-CB 3.23Å; A234-R238 WeakPolarHBondContact O-CB 3.42Å; A234-R238 PolarHBondContact O-N 3.39Å; F235-R238 PolarHBondContact O-N 3.33Å; F235-R238 VanDerWaalsContact O-N 3.16Å; F236-R238 VanDerWaalsContact C-N 3.35Å; F236-R238 PolarHBondContact O-N 2.81Å; R238-R241 PolarHBondContact O-N 2.92Å; R238-D242 HydrophobicContact CG-CB 4.1Å; R238-D242 IonicContact NH1-OD2 3.94Å; R238-D242 PolarHBondContact NH1-OD2 2.86Å; R238-D242 WeakPolarHBondContact O-CA 3.45Å; R238-D242 WeakPolarHBondContact O-CB 3.27Å; R238-D242 PolarHBondContact O-N 2.65Å
239V91.7Very high90.7Very high21 Ų2152.3 Ų52.313%0.12725%0.252CS..Hα-helixtrans-60.4-47.4175.11760000111.4I223 F235 F236 R241 A243 L251I223-V239 HydrophobicContact CD1-CG2 3.7Å; F235-V239 HydrophobicContact CD1-CG2 4.24Å; F235-V239 HydrophobicContact CE1-CG2 3.97Å; F235-V239 HydrophobicContact CZ-CG2 4.28Å; F235-V239 WeakPolarHBondContact O-CG2 3.42Å; F235-V239 PolarHBondContact O-N 3.29Å; F236-V239 PolarHBondContact O-N 3.29Å; V239-R241 PolarHBondContact O-N 3.16Å; V239-A243 WeakPolarHBondContact O-CB 3.5Å; V239-L251 HydrophobicContact CG2-CD1 3.97Å
240Q85.2Confident90.8Very high118 Ų11849 Ų4955%0.55123%0.234SC*.Hα-helixtrans-65.8-35.3-179.7-75.9179.4-28.800114.2F236 R237 S287F236-Q240 WeakPolarHBondContact O-CG 3.2Å; F236-Q240 PolarHBondContact O-N 3.31Å; R237-Q240 PolarHBondContact O-N 3.38Å; Q240-S287 VanDerWaalsContact CD-OG 3.24Å; Q240-S287 WeakPolarHBondContact CG-OG 3.44Å; Q240-S287 PolarHBondContact NE2-OG 3.46Å
241R87.2Confident91.2Very high193 Ų19345.4 Ų45.473%0.72822%0.215SC*.Hα-helixtrans-102.5-35.1-169.1-163.7-164.367.1-180-3.5114.5R237 R238 V239R237-R241 VanDerWaalsContact O-CB 3.3Å; R237-R241 WeakPolarHBondContact O-CB 3.29Å; R237-R241 PolarHBondContact O-N 3.34Å; R238-R241 PolarHBondContact O-N 2.92Å; V239-R241 PolarHBondContact O-N 3.16Å
242D89.6Confident90.8Very high59 Ų5943 Ų4332%0.31620%0.202SC..Hα-helixtrans-114.5-9.6-165.8-59.1-19.1000113.9F219 R238F219-D242 HydrophobicContact CD2-CB 3.6Å; F219-D242 WeakPolarHBondContact CD2-O 3.26Å; F219-D242 HydrophobicContact CE2-CB 3.95Å; R238-D242 HydrophobicContact CG-CB 4.1Å; R238-D242 IonicContact NH1-OD2 3.94Å; R238-D242 PolarHBondContact NH1-OD2 2.86Å; R238-D242 WeakPolarHBondContact O-CA 3.45Å; R238-D242 WeakPolarHBondContact O-CB 3.27Å; R238-D242 PolarHBondContact O-N 2.65Å
243A90.7Very high90.4Very high29 Ų2944 Ų4424%0.2421%0.208CC..  trans-83139.9-173.700000113F219 V239 Q247 A248F219-A243 HydrophobicContact CE1-CB 4.36Å; F219-A243 VanDerWaalsContact CE2-CA 3.49Å; F219-A243 HydrophobicContact CE2-CB 3.64Å; F219-A243 HydrophobicContact CZ-CB 3.44Å; F219-A243 VanDerWaalsContact CZ-CB 3.44Å; V239-A243 WeakPolarHBondContact O-CB 3.5Å; A243-Q247 HydrophobicContact CB-CB 4.29Å; A243-A248 HydrophobicContact CB-CB 4.4Å
244T91.1Very high90Very high67 Ų6743 Ų4341%0.41120%0.203SC..  trans-71.3159.1161.275.50000110.7L246 Q247 A248T244-L246 VanDerWaalsContact C-N 3.31Å; T244-L246 PolarHBondContact O-N 2.86Å; T244-Q247 WeakPolarHBondContact O-CB 3.26Å; T244-Q247 PolarHBondContact O-N 3Å; T244-Q247 WeakPolarHBondContact OG1-CG 3.41Å; T244-Q247 PolarHBondContact OG1-N 3.4Å; T244-A248 PolarHBondContact O-N 3.45Å
245F90.2Very high89.7Confident34 Ų3442.9 Ų42.915%0.14920%0.199CC..Hα-helixtrans-51.3-46177.2168.6-93.8000112.8Y137 A248 C249 F323 V325 V330Y137-F245 HydrophobicContact CD2-CE1 4Å; Y137-F245 HydrophobicContact CD2-CZ 4Å; Y137-F245 HydrophobicContact CE2-CZ 4.15Å; F245-A248 WeakPolarHBondContact O-CB 3.38Å; F245-A248 PolarHBondContact O-N 3.36Å; F245-C249 PolarHBondContact O-N 3.41Å; F245-C249 PolarHBondContact O-SG 3.28Å; F245-F323 HydrophobicContact CD2-CB 3.82Å; F245-F323 HydrophobicContact CE2-CB 3.65Å; F245-V325 HydrophobicContact CD2-CB 3.9Å; F245-V325 HydrophobicContact CD2-CG2 3.44Å; F245-V325 VanDerWaalsContact CD2-CG2 3.44Å; F245-V325 HydrophobicContact CE2-CB 3.81Å; F245-V325 HydrophobicContact CE2-CG2 3.71Å; F245-V325 HydrophobicContact CG-CB 4.34Å; F245-V325 HydrophobicContact CG-CG2 4.12Å; F245-V325 HydrophobicContact CZ-CB 4.21Å; F245-V330 HydrophobicContact CD1-CB 4.48Å; F245-V330 HydrophobicContact CD1-CG1 3.81Å; F245-V330 HydrophobicContact CD1-CG2 4.02Å; F245-V330 HydrophobicContact CE1-CG1 4.05Å; F245-V330 HydrophobicContact CE1-CG2 4.4Å
246L93Very high89.2Confident6 Ų643 Ų433%0.03120%0.2CC..Hα-helixtrans-70.3-33.6177.8-71.4178.2000112.9R133 I136 Y189 T244 A248 C249 L250 V330R133-L246 HydrophobicContact CB-CD1 3.7Å; R133-L246 HydrophobicContact CG-CD1 3.58Å; I136-L246 HydrophobicContact CB-CD2 4.19Å; I136-L246 HydrophobicContact CG2-CB 4.09Å; I136-L246 HydrophobicContact CG2-CD2 3.79Å; I136-L246 VanDerWaalsContact CG2-O 3.26Å; I136-L246 WeakPolarHBondContact CG2-O 3.32Å; Y189-L246 HydrophobicContact CE1-CB 3.82Å; Y189-L246 VanDerWaalsContact OH-CB 3.28Å; Y189-L246 WeakPolarHBondContact OH-CB 3.48Å; Y189-L246 WeakPolarHBondContact OH-CD1 3.46Å; T244-L246 VanDerWaalsContact C-N 3.31Å; T244-L246 PolarHBondContact O-N 2.86Å; L246-A248 VanDerWaalsContact C-N 3.33Å; L246-C249 PolarHBondContact O-N 2.99Å; L246-L250 WeakPolarHBondContact O-CB 3.26Å; L246-L250 PolarHBondContact O-N 2.63Å; L246-V330 HydrophobicContact CD1-CG1 3.58Å; L246-V330 HydrophobicContact CD2-CG1 3.62Å; L246-V330 HydrophobicContact CG-CG1 3.44Å; L246-V330 VanDerWaalsContact CG-CG1 3.44Å
247Q94Very high88.8Confident4 Ų443.3 Ų43.32%0.01920%0.202CC..Hα-helixtrans-63.6-40.9171-71.1172.4-21.600110.8S188 Y189 I192 F219 A243 T244 L250 L251S188-Q247 PolarHBondContact OG-NE2 3.22Å; Y189-Q247 HydrophobicContact CD1-CG 4.23Å; Y189-Q247 HydrophobicContact CE1-CG 3.8Å; I192-Q247 HydrophobicContact CD1-CB 4.13Å; I192-Q247 HydrophobicContact CD1-CG 3.88Å; F219-Q247 VanDerWaalsContact CD1-CD 3.43Å; F219-Q247 HydrophobicContact CD1-CG 4.32Å; F219-Q247 VanDerWaalsContact CD1-OE1 3.25Å; F219-Q247 HydrophobicContact CE1-CB 3.83Å; F219-Q247 HydrophobicContact CE1-CG 4.07Å; F219-Q247 HydrophobicContact CZ-CB 4.36Å; A243-Q247 HydrophobicContact CB-CB 4.29Å; T244-Q247 WeakPolarHBondContact O-CB 3.26Å; T244-Q247 PolarHBondContact O-N 3Å; T244-Q247 WeakPolarHBondContact OG1-CG 3.41Å; T244-Q247 PolarHBondContact OG1-N 3.4Å; Q247-L250 PolarHBondContact O-N 3.2Å; Q247-L251 VanDerWaalsContact O-CB 3.3Å; Q247-L251 WeakPolarHBondContact O-CB 3.43Å; Q247-L251 WeakPolarHBondContact O-CD1 3.23Å; Q247-L251 WeakPolarHBondContact O-CG 3.42Å; Q247-L251 PolarHBondContact O-N 2.96Å
248A91.4Very high88.7Confident17 Ų1736 Ų3614%0.1418%0.175CC..Hα-helixtrans-64.9-44.3174.200000112.2A243 T244 F245 L246 L250 L251 H252A243-A248 HydrophobicContact CB-CB 4.4Å; T244-A248 PolarHBondContact O-N 3.45Å; F245-A248 WeakPolarHBondContact O-CB 3.38Å; F245-A248 PolarHBondContact O-N 3.36Å; L246-A248 VanDerWaalsContact C-N 3.33Å; A248-L250 VanDerWaalsContact C-N 3.3Å; A248-L250 PolarHBondContact O-N 3.4Å; A248-L251 PolarHBondContact O-N 3.5Å; A248-H252 PolarHBondContact O-N 3.07Å
249C90.2Very high88.6Confident6 Ų633.3 Ų33.34%0.04117%0.165CC..Hα-helixtrans-58-40.3172.4-690000112.4I136 Y140 F245 L246 H252I136-C249 HydrophobicContact CG2-CB 3.82Å; Y140-C249 HydrophobicContact CD1-CB 4.38Å; Y140-C249 WeakPolarHBondContact CD1-SG 3.44Å; Y140-C249 HydrophobicContact CG-CB 4.04Å; F245-C249 PolarHBondContact O-N 3.41Å; F245-C249 PolarHBondContact O-SG 3.28Å; L246-C249 PolarHBondContact O-N 2.99Å; C249-H252 VanDerWaalsContact O-CB 3.25Å; C249-H252 WeakPolarHBondContact O-CB 3.42Å
250L91Very high88.3Confident5 Ų532.5 Ų32.53%0.02616%0.16CC..Hα-helixtrans-75.8-27.6179-171.560.9000113I136 L159 Y189 I192 V193 L246 Q247 A248 Q253I136-L250 HydrophobicContact CD1-CD2 4.36Å; I136-L250 HydrophobicContact CG1-CD1 4.27Å; I136-L250 HydrophobicContact CG2-CB 3.95Å; L159-L250 HydrophobicContact CD2-CD1 3.6Å; Y189-L250 HydrophobicContact CD1-CD2 3.94Å; Y189-L250 HydrophobicContact CG-CD2 4.24Å; I192-L250 HydrophobicContact CB-CD2 3.86Å; I192-L250 HydrophobicContact CB-CG 4.41Å; I192-L250 HydrophobicContact CG2-CB 4.23Å; I192-L250 HydrophobicContact CG2-CD2 3.68Å; I192-L250 HydrophobicContact CG2-CG 3.67Å; V193-L250 HydrophobicContact CB-CD1 4.48Å; V193-L250 HydrophobicContact CB-CD2 4.48Å; V193-L250 HydrophobicContact CG2-CD1 4.44Å; L246-L250 WeakPolarHBondContact O-CB 3.26Å; L246-L250 PolarHBondContact O-N 2.63Å; Q247-L250 PolarHBondContact O-N 3.2Å; A248-L250 VanDerWaalsContact C-N 3.3Å; A248-L250 PolarHBondContact O-N 3.4Å; L250-Q253 WeakPolarHBondContact O-CG 3.38Å; L250-Q253 PolarHBondContact O-NE2 2.8Å
251L91.2Very high88.4Confident0 Ų027.9 Ų27.90%014%0.139CC..Hα-helixtrans-82.9-18.9174.9-70.7166.8000113.2I192 L195 F219 I223 F235 V239 Q247 A248 Q253 F254 L255I192-L251 HydrophobicContact CG1-CD2 4.47Å; I192-L251 HydrophobicContact CG2-CD2 3.49Å; I192-L251 VanDerWaalsContact CG2-CD2 3.49Å; I192-L251 HydrophobicContact CG2-CG 3.81Å; L195-L251 HydrophobicContact CD1-CD2 3.73Å; F219-L251 HydrophobicContact CE1-CD1 3.92Å; F219-L251 HydrophobicContact CZ-CD1 3.72Å; I223-L251 HydrophobicContact CD1-CD1 4.12Å; I223-L251 HydrophobicContact CG1-CD1 4.17Å; I223-L251 HydrophobicContact CG2-CD1 4.47Å; I223-L251 HydrophobicContact CG2-CD2 3.74Å; F235-L251 HydrophobicContact CZ-CD2 4.39Å; V239-L251 HydrophobicContact CG2-CD1 3.97Å; Q247-L251 VanDerWaalsContact O-CB 3.3Å; Q247-L251 WeakPolarHBondContact O-CB 3.43Å; Q247-L251 WeakPolarHBondContact O-CD1 3.23Å; Q247-L251 WeakPolarHBondContact O-CG 3.42Å; Q247-L251 PolarHBondContact O-N 2.96Å; A248-L251 PolarHBondContact O-N 3.5Å; L251-Q253 PolarHBondContact O-N 3.05Å; L251-F254 HydrophobicContact CD2-CD2 4.2Å; L251-F254 PolarHBondContact O-N 3.36Å; L251-L255 HydrophobicContact CB-CD2 4.48Å; L251-L255 WeakPolarHBondContact O-CD2 3.34Å; L251-L255 WeakPolarHBondContact O-CG 3.44Å; L251-L255 PolarHBondContact O-N 3.21Å
252H85.2Confident88.5Confident16 Ų1618.7 Ų18.77%0.07411%0.105CC..Hα-helixtrans-49.2-45.1176.5-177.4-113.2000112.2Y140 A248 C249 F254 L255 L319Y140-H252 HydrophobicContact CD2-CB 4.26Å; Y140-H252 AromaticContact CD2-CG 3.87Å; Y140-H252 AromaticContact CD2-ND1 3.87Å; A248-H252 PolarHBondContact O-N 3.07Å; C249-H252 VanDerWaalsContact O-CB 3.25Å; C249-H252 WeakPolarHBondContact O-CB 3.42Å; H252-F254 PolarHBondContact O-N 3.12Å; H252-L255 PolarHBondContact O-N 3.46Å; H252-L319 PolarHBondContact NE2-O 2.72Å
253Q81.5Confident88.4Confident63 Ų6317 Ų1729%0.29410%0.095SC..THydrogen-bonded Turntrans-67.4-1.1177.980.8-167.9-45.600115L250 L251 P317L250-Q253 WeakPolarHBondContact O-CG 3.38Å; L250-Q253 PolarHBondContact O-NE2 2.8Å; L251-Q253 PolarHBondContact O-N 3.05Å; Q253-P317 HydrophobicContact CB-CB 4.34Å; Q253-P317 HydrophobicContact CB-CG 4.29Å; Q253-P317 VanDerWaalsContact O-CB 3.3Å; Q253-P317 WeakPolarHBondContact O-CB 3.28Å
254F84.3Confident88.1Confident14 Ų1416.3 Ų16.36%0.0619%0.088CC..THydrogen-bonded Turntrans-120.3-13.4177.7-52.3-51.9000113.3I192 L195 P196 L251 H252 L257 V258I192-F254 HydrophobicContact CG2-CE2 4.22Å; I192-F254 WeakPolarHBondContact O-CE2 3.49Å; L195-F254 HydrophobicContact CB-CE2 4.36Å; L195-F254 HydrophobicContact CD1-CD2 3.8Å; L195-F254 HydrophobicContact CD1-CE2 4Å; P196-F254 HydrophobicContact CG-CD1 4.14Å; P196-F254 HydrophobicContact CG-CE1 3.36Å; P196-F254 HydrophobicContact CG-CZ 3.9Å; L251-F254 HydrophobicContact CD2-CD2 4.2Å; L251-F254 PolarHBondContact O-N 3.36Å; H252-F254 PolarHBondContact O-N 3.12Å; F254-L257 WeakPolarHBondContact O-CB 3.45Å; F254-L257 PolarHBondContact O-N 3.02Å; F254-V258 WeakPolarHBondContact O-CG2 3.41Å; F254-V258 PolarHBondContact O-N 3.19Å
255L87.2Confident87.8Confident18 Ų1816.3 Ų16.39%0.0949%0.088CC..Hα-helixtrans-58.7-42.3-177.2-47.5-178.3000112.9F235 F236 L251 H252 V258 R259F235-L255 HydrophobicContact CE1-CD2 3.76Å; F235-L255 HydrophobicContact CZ-CD2 4.2Å; F236-L255 HydrophobicContact CE1-CB 4.11Å; F236-L255 HydrophobicContact CE1-CD2 3.96Å; F236-L255 HydrophobicContact CE1-CG 4.45Å; F236-L255 HydrophobicContact CZ-CB 4.37Å; L251-L255 HydrophobicContact CB-CD2 4.48Å; L251-L255 WeakPolarHBondContact O-CD2 3.34Å; L251-L255 WeakPolarHBondContact O-CG 3.44Å; L251-L255 PolarHBondContact O-N 3.21Å; H252-L255 PolarHBondContact O-N 3.46Å; L255-V258 PolarHBondContact O-N 2.96Å; L255-R259 WeakPolarHBondContact O-CG 3.46Å; L255-R259 PolarHBondContact O-N 2.79Å
256P83Confident87.6Confident4 Ų416.7 Ų16.73%0.0269%0.09CC..Hα-helixtrans-77.2-25.7-177.5-18.437.2000113.4T260 F297 D316 P317 A318P256-T260 WeakPolarHBondContact O-CB 3.48Å; P256-T260 PolarHBondContact O-N 2.93Å; P256-T260 PolarHBondContact O-OG1 2.81Å; P256-F297 HydrophobicContact CB-CE2 3.92Å; P256-F297 HydrophobicContact CB-CZ 4.18Å; P256-D316 WeakPolarHBondContact CB-O 3.33Å; P256-P317 HydrophobicContact CG-CB 4.41Å; P256-A318 WeakPolarHBondContact CG-O 3.21Å
257L83.9Confident87.1Confident10 Ų1018.5 Ų18.55%0.05210%0.104CC..Hα-helixtrans-61.4-48.5162.8162.962.6000110.9F227 F254 T260 N261 I313 R314 N315F227-L257 HydrophobicContact CE2-CD2 4.1Å; F227-L257 HydrophobicContact CZ-CD2 3.92Å; F254-L257 WeakPolarHBondContact O-CB 3.45Å; F254-L257 PolarHBondContact O-N 3.02Å; L257-T260 PolarHBondContact O-N 3.24Å; L257-N261 VanDerWaalsContact CD1-ND2 3.3Å; L257-N261 WeakPolarHBondContact CD1-ND2 3.25Å; L257-N261 WeakPolarHBondContact O-CB 3.17Å; L257-N261 PolarHBondContact O-N 3.1Å; L257-N261 PolarHBondContact O-ND2 2.82Å; L257-N261 PolarHBondContact O-OD1 3.44Å; L257-I313 HydrophobicContact CD1-CG2 4.31Å; L257-R314 WeakPolarHBondContact CA-O 3.45Å; L257-R314 WeakPolarHBondContact CB-O 3.37Å; L257-R314 WeakPolarHBondContact CD1-O 3.3Å; L257-N315 WeakPolarHBondContact CD1-OD1 3.44Å
258V88Confident86.4Confident10 Ų1022.7 Ų22.76%0.06113%0.129CC..Hα-helixtrans-65.3-40.9178.5179.50000111.6F227 F235 F236 F254 L255 N261 A262F227-V258 HydrophobicContact CD2-CG2 3.64Å; F227-V258 HydrophobicContact CE2-CG2 3.74Å; F235-V258 HydrophobicContact CD1-CB 4.42Å; F235-V258 HydrophobicContact CD1-CG1 3.87Å; F235-V258 HydrophobicContact CD1-CG2 4.33Å; F235-V258 HydrophobicContact CE1-CB 4.22Å; F235-V258 HydrophobicContact CE1-CG1 4.18Å; F235-V258 HydrophobicContact CE1-CG2 3.93Å; F235-V258 HydrophobicContact CE2-CG2 4.13Å; F235-V258 HydrophobicContact CG-CG1 4.25Å; F235-V258 HydrophobicContact CZ-CG2 3.83Å; F236-V258 HydrophobicContact CD2-CG1 4.41Å; F236-V258 HydrophobicContact CE2-CB 4.25Å; F236-V258 HydrophobicContact CE2-CG1 3.66Å; F236-V258 HydrophobicContact CZ-CB 4.21Å; F236-V258 HydrophobicContact CZ-CG1 4.1Å; F254-V258 WeakPolarHBondContact O-CG2 3.41Å; F254-V258 PolarHBondContact O-N 3.19Å; L255-V258 PolarHBondContact O-N 2.96Å; V258-N261 PolarHBondContact O-N 3Å; V258-A262 WeakPolarHBondContact O-CB 3.38Å; V258-A262 PolarHBondContact O-N 3.34Å
259R90.1Very high85.6Confident5 Ų524.6 Ų24.62%0.01915%0.151CC..Hα-helixtrans-56.8-52.2171.5-77.8155.2-178.9176.23.6111.7F236 L255 N261 A262 I263 F286 S287 F288 F297F236-R259 HydrophobicContact CE2-CG 4.31Å; F236-R259 HydrophobicContact CZ-CG 3.89Å; L255-R259 WeakPolarHBondContact O-CG 3.46Å; L255-R259 PolarHBondContact O-N 2.79Å; R259-N261 VanDerWaalsContact C-N 3.29Å; R259-N261 PolarHBondContact O-N 3.3Å; R259-A262 PolarHBondContact O-N 3Å; R259-I263 WeakPolarHBondContact O-CD1 3.47Å; R259-I263 WeakPolarHBondContact O-CG1 3.39Å; R259-I263 PolarHBondContact O-N 3.14Å; R259-F286 HydrophobicContact CG-CB 3.84Å; R259-F286 HydrophobicContact CG-CG 4.25Å; R259-F286 PolarHBondContact NE-O 2.78Å; R259-F286 PolarHBondContact NH2-O 3.39Å; R259-S287 VanDerWaalsContact NH2-C 3.29Å; R259-S287 PolarHBondContact NH2-O 2.86Å; R259-F288 VanDerWaalsContact CD-CZ 3.49Å; R259-F288 HydrophobicContact CG-CE2 4.23Å; R259-F288 HydrophobicContact CG-CZ 3.99Å; R259-F297 HydrophobicContact CB-CD1 4.36Å; R259-F297 HydrophobicContact CB-CE1 3.53Å; R259-F297 HydrophobicContact CB-CZ 3.79Å; R259-F297 HydrophobicContact CG-CE1 4.46Å
260T87Confident84.7Confident4 Ų428.5 Ų28.53%0.02517%0.168CC..Hα-helixtrans-58.2-43178.8-55.10000111.1P256 L257 T264 L301 P311 R314P256-T260 WeakPolarHBondContact O-CB 3.48Å; P256-T260 PolarHBondContact O-N 2.93Å; P256-T260 PolarHBondContact O-OG1 2.81Å; L257-T260 PolarHBondContact O-N 3.24Å; T260-T264 VanDerWaalsContact O-CB 3.22Å; T260-T264 WeakPolarHBondContact O-CB 3.16Å; T260-T264 PolarHBondContact O-N 3.45Å; T260-T264 PolarHBondContact O-OG1 3.13Å; T260-L301 HydrophobicContact CG2-CD2 4Å; T260-P311 HydrophobicContact CG2-CB 4.29Å; T260-R314 HydrophobicContact CG2-CB 3.95Å
261N85.8Confident83.7Confident22 Ų2237.3 Ų37.312%0.11820%0.2CC..Hα-helixtrans-66.2-41.6178.1-66.3-12.3000112.3I230 L257 V258 R259 T264 V265 I313I230-N261 HydrophobicContact CG2-CB 4.44Å; L257-N261 VanDerWaalsContact CD1-ND2 3.3Å; L257-N261 WeakPolarHBondContact CD1-ND2 3.25Å; L257-N261 WeakPolarHBondContact O-CB 3.17Å; L257-N261 PolarHBondContact O-N 3.1Å; L257-N261 PolarHBondContact O-ND2 2.82Å; L257-N261 PolarHBondContact O-OD1 3.44Å; V258-N261 PolarHBondContact O-N 3Å; R259-N261 VanDerWaalsContact C-N 3.29Å; R259-N261 PolarHBondContact O-N 3.3Å; N261-T264 PolarHBondContact O-N 3.49Å; N261-V265 WeakPolarHBondContact O-CG2 3.31Å; N261-V265 PolarHBondContact O-N 3Å; N261-I313 WeakPolarHBondContact OD1-CG1 3.27Å; N261-I313 WeakPolarHBondContact OD1-CG2 3.31Å
262A89.5Confident82.6Confident0 Ų043.7 Ų43.70%024%0.242CC..Hα-helixtrans-62.2-50.9177.200000111.8Y232 V258 R259 T264 V265 M266 F286Y232-A262 HydrophobicContact CD1-CB 3.43Å; Y232-A262 VanDerWaalsContact CD1-CB 3.43Å; Y232-A262 HydrophobicContact CD2-CB 3.82Å; Y232-A262 HydrophobicContact CE1-CB 3.93Å; Y232-A262 HydrophobicContact CE2-CB 4.26Å; Y232-A262 HydrophobicContact CG-CB 3.36Å; V258-A262 WeakPolarHBondContact O-CB 3.38Å; V258-A262 PolarHBondContact O-N 3.34Å; R259-A262 PolarHBondContact O-N 3Å; A262-T264 VanDerWaalsContact C-N 3.31Å; A262-T264 PolarHBondContact O-N 2.82Å; A262-V265 PolarHBondContact O-N 3.42Å; A262-M266 WeakPolarHBondContact O-CB 3.47Å; A262-M266 WeakPolarHBondContact O-CG 3.46Å; A262-M266 PolarHBondContact O-N 3.39Å; A262-F286 HydrophobicContact CB-CD1 4.26Å; A262-F286 HydrophobicContact CB-CE1 3.39Å; A262-F286 HydrophobicContact CB-CE2 4.4Å; A262-F286 HydrophobicContact CB-CZ 3.46Å; A262-F286 VanDerWaalsContact CB-CZ 3.46Å
263I87.7Confident81.9Confident22 Ų2254.6 Ų54.611%0.11328%0.282CS..Hα-helixtrans-60.4-42.2176.3-66.9157.4000110.5R259 V265 M266 S267 F286 F297 M298 L301R259-I263 WeakPolarHBondContact O-CD1 3.47Å; R259-I263 WeakPolarHBondContact O-CG1 3.39Å; R259-I263 PolarHBondContact O-N 3.14Å; I263-V265 PolarHBondContact O-N 3.1Å; I263-M266 PolarHBondContact O-N 3.18Å; I263-S267 WeakPolarHBondContact O-CB 3.49Å; I263-S267 PolarHBondContact O-N 3.17Å; I263-F286 HydrophobicContact CD1-CE2 4.27Å; I263-F286 HydrophobicContact CG1-CE2 3.76Å; I263-F286 HydrophobicContact CG1-CZ 4.35Å; I263-F297 HydrophobicContact CD1-CD1 3.92Å; I263-F297 HydrophobicContact CD1-CE1 3.77Å; I263-M298 HydrophobicContact CD1-SD 3.6Å; I263-M298 HydrophobicContact CG1-SD 4.03Å; I263-M298 HydrophobicContact CG2-CE 4.21Å; I263-M298 HydrophobicContact CG2-SD 4.01Å; I263-L301 HydrophobicContact CD1-CD1 3.77Å; I263-L301 HydrophobicContact CG2-CD1 4.36Å
264T84.2Confident81.5Confident16 Ų1656.3 Ų56.310%0.09829%0.293CS..Hα-helixtrans-59.1-46.7175.5-61.30000111.3T260 N261 A262 S267 V268 R310 P311T260-T264 VanDerWaalsContact O-CB 3.22Å; T260-T264 WeakPolarHBondContact O-CB 3.16Å; T260-T264 PolarHBondContact O-N 3.45Å; T260-T264 PolarHBondContact O-OG1 3.13Å; N261-T264 PolarHBondContact O-N 3.49Å; A262-T264 VanDerWaalsContact C-N 3.31Å; A262-T264 PolarHBondContact O-N 2.82Å; T264-S267 PolarHBondContact O-N 3.42Å; T264-S267 PolarHBondContact O-OG 2.88Å; T264-V268 WeakPolarHBondContact O-CG2 3.34Å; T264-R310 HydrophobicContact CG2-CG 4.05Å; T264-P311 WeakPolarHBondContact CG2-O 3.36Å
265V85.3Confident81.1Confident66 Ų6660.9 Ų60.940%0.432%0.324SS..Hα-helixtrans-65.7-43.9176.9168.80000111.8I230 Y232 N261 A262 I263 S267 V268 G269I230-V265 HydrophobicContact CG2-CG2 4.24Å; Y232-V265 HydrophobicContact CE1-CG1 4.42Å; N261-V265 WeakPolarHBondContact O-CG2 3.31Å; N261-V265 PolarHBondContact O-N 3Å; A262-V265 PolarHBondContact O-N 3.42Å; I263-V265 PolarHBondContact O-N 3.1Å; V265-S267 VanDerWaalsContact C-N 3.28Å; V265-S267 PolarHBondContact O-N 3.37Å; V265-V268 WeakPolarHBondContact O-CB 3.27Å; V265-V268 PolarHBondContact O-N 2.84Å; V265-G269 PolarHBondContact O-N 3.18Å
266M86.3Confident80.8Confident42 Ų4263.9 Ų63.921%0.20735%0.351CS..Hα-helixtrans-59.3-39.1175.9-72.4172.265.100111.5Y232 A262 I263 V268 G269 F270 V277 L282 W285 F286Y232-M266 HydrophobicContact CE2-SD 4.33Å; Y232-M266 WeakPolarHBondContact OH-CG 3.3Å; A262-M266 WeakPolarHBondContact O-CB 3.47Å; A262-M266 WeakPolarHBondContact O-CG 3.46Å; A262-M266 PolarHBondContact O-N 3.39Å; I263-M266 PolarHBondContact O-N 3.18Å; M266-V268 PolarHBondContact O-N 3.09Å; M266-V268 VanDerWaalsContact O-N 3.12Å; M266-G269 PolarHBondContact O-N 2.89Å; M266-G269 VanDerWaalsContact O-N 3.08Å; M266-F270 WeakPolarHBondContact O-CB 3.46Å; M266-F270 PolarHBondContact O-N 3.09Å; M266-V277 HydrophobicContact CE-CB 4.48Å; M266-V277 HydrophobicContact CE-CG2 3.85Å; M266-L282 HydrophobicContact CE-CD2 4.05Å; M266-W285 HydrophobicContact CE-CE3 4.39Å; M266-W285 HydrophobicContact CE-CZ3 3.98Å; M266-F286 HydrophobicContact SD-CE2 4.47Å; M266-F286 HydrophobicContact SD-CZ 3.68Å
267S81.7Confident81Confident45 Ų4565.9 Ų65.932%0.31536%0.363SS..Hα-helixtrans-64-12.117486.60000114.8I263 T264 V265 R310I263-S267 WeakPolarHBondContact O-CB 3.49Å; I263-S267 PolarHBondContact O-N 3.17Å; T264-S267 PolarHBondContact O-N 3.42Å; T264-S267 PolarHBondContact O-OG 2.88Å; V265-S267 VanDerWaalsContact C-N 3.28Å; V265-S267 PolarHBondContact O-N 3.37Å; S267-R310 PolarHBondContact O-NH2 2.91Å; S267-R310 PolarHBondContact OG-NE 2.9Å; S267-R310 VanDerWaalsContact OG-NE 3.09Å
268V79.3Confident81.3Confident91 Ų9168.6 Ų68.655%0.55238%0.382SS*.Hα-helixtrans-88.3-36.1172.1-163.30000111.3T264 V265 M266T264-V268 WeakPolarHBondContact O-CG2 3.34Å; V265-V268 WeakPolarHBondContact O-CB 3.27Å; V265-V268 PolarHBondContact O-N 2.84Å; M266-V268 PolarHBondContact O-N 3.09Å; M266-V268 VanDerWaalsContact O-N 3.12Å
269G75.6Confident81.3Confident58 Ų5870.3 Ų70.360%0.59839%0.391SS*.Hα-helixtrans-82-26.8178.800000114.1V265 M266V265-G269 PolarHBondContact O-N 3.18Å; M266-G269 PolarHBondContact O-N 2.89Å; M266-G269 VanDerWaalsContact O-N 3.08Å
270F71.7Confident81.3Confident88 Ų8875 Ų7539%0.38642%0.416SS..  trans-64.1134.5-176.8-162.5-98.9000112.2M266 L274 P275M266-F270 WeakPolarHBondContact O-CB 3.46Å; M266-F270 PolarHBondContact O-N 3.09Å; F270-L274 HydrophobicContact CE2-CB 3.93Å; F270-L274 HydrophobicContact CZ-CB 4.08Å; F270-L274 VanDerWaalsContact CZ-O 3.28Å; F270-L274 WeakPolarHBondContact CZ-O 3.42Å; F270-P275 VanDerWaalsContact CE2-O 3.29Å; F270-P275 WeakPolarHBondContact CE2-O 3.29Å
271R69.4Low81.5Confident190 Ų19076.9 Ų76.972%0.71743%0.427SS*.  trans-110.8139.5174.5-66.6-174.7178.2-1740.6109.1R273 L274R271-R273 PolarHBondContact O-N 3.13Å; R271-L274 HydrophobicContact CB-CD1 4.31Å; R271-L274 HydrophobicContact CB-CG 4.37Å; R271-L274 PolarHBondContact O-N 2.92Å
272P67.9Low81.7Confident134 Ų13476.3 Ų76.387%0.8742%0.424SS*.THydrogen-bonded Turntrans-60.72.5-177-26.134.9000117.8
273R70.9Confident81.6Confident245 Ų24576.8 Ų76.893%0.92543%0.428SS*.THydrogen-bonded Turntrans-112.41.8176.6-62-177-176156.60.6113.1R271R271-R273 PolarHBondContact O-N 3.13Å
274L72.9Confident81.6Confident99 Ų9982.5 Ų82.552%0.51845%0.454SS..SBendtrans-87.1147.3169.9-64.9174.4000108.9F270 R271F270-L274 HydrophobicContact CE2-CB 3.93Å; F270-L274 HydrophobicContact CZ-CB 4.08Å; F270-L274 VanDerWaalsContact CZ-O 3.28Å; F270-L274 WeakPolarHBondContact CZ-O 3.42Å; R271-L274 HydrophobicContact CB-CD1 4.31Å; R271-L274 HydrophobicContact CB-CG 4.37Å; R271-L274 PolarHBondContact O-N 2.92Å
275P76.6Confident81.9Confident110 Ų11086.1 Ų86.171%0.71447%0.466SS*.PPolyproline II helixtrans-62.9148.8168.228.9-34.6000110F270F270-P275 VanDerWaalsContact CE2-O 3.29Å; F270-P275 WeakPolarHBondContact CE2-O 3.29Å
276A81Confident82.1Confident80 Ų8083 Ų8366%0.66145%0.447SS*.PPolyproline II helixtrans-60.1149.3171.800000110.7P278A276-P278 WeakPolarHBondContact O-CD 3.44Å
277V86.2Confident82.1Confident46 Ų4681.2 Ų81.228%0.27944%0.439SS..PPolyproline II helixtrans-71.7125.1175.4-176.70000108.3M266 V281 L282M266-V277 HydrophobicContact CE-CB 4.48Å; M266-V277 HydrophobicContact CE-CG2 3.85Å; V277-V281 HydrophobicContact CG1-CB 3.98Å; V277-V281 HydrophobicContact CG1-CG1 3.89Å; V277-L282 HydrophobicContact CB-CD2 4.08Å; V277-L282 HydrophobicContact CB-CG 4.41Å; V277-L282 HydrophobicContact CG1-CD2 3.64Å; V277-L282 HydrophobicContact CG1-CG 3.99Å
278P90.3Very high82.2Confident68 Ų6879.7 Ų79.744%0.44243%0.427SS..PPolyproline II helixtrans-62146.3-179.7-23.333.8000112.4A276 D280 V281 L282A276-P278 WeakPolarHBondContact O-CD 3.44Å; P278-D280 PolarHBondContact O-N 3.5Å; P278-V281 HydrophobicContact CB-CG2 4.19Å; P278-V281 HydrophobicContact CG-CG2 4.26Å; P278-V281 WeakPolarHBondContact O-CB 3.2Å; P278-V281 PolarHBondContact O-N 2.96Å; P278-L282 PolarHBondContact O-N 3.37Å; P278-L282 VanDerWaalsContact O-N 3.1Å
279N88.2Confident82.2Confident46 Ų4679.3 Ų79.325%0.24642%0.422CS..Hα-helixtrans-61-31-178.9-68.8-22.7000112.8V281 L282 A283 Q295N279-V281 VanDerWaalsContact C-N 3.27Å; N279-V281 PolarHBondContact O-N 2.99Å; N279-L282 PolarHBondContact O-N 3.07Å; N279-A283 WeakPolarHBondContact O-CB 3.38Å; N279-A283 PolarHBondContact O-N 2.97Å; N279-Q295 PolarHBondContact ND2-OE1 2.94Å
280D90.2Very high82.6Confident104 Ų10479.9 Ų79.956%0.55641%0.411SS*.Hα-helixtrans-63.3-35.8175.8-33.9-63000111.6P278 Q284 S291P278-D280 PolarHBondContact O-N 3.5Å; D280-Q284 WeakPolarHBondContact O-CB 3.25Å; D280-Q284 PolarHBondContact O-N 2.92Å; D280-S291 WeakPolarHBondContact CA-OG 3.49Å; D280-S291 WeakPolarHBondContact OD1-CB 3.37Å; D280-S291 PolarHBondContact OD1-OG 3.04Å
281V91.1Very high83.4Confident42 Ų4277.2 Ų77.226%0.25540%0.403SS..Hα-helixtrans-73.6-40.1176.7-179.40000110.3V277 P278 N279 Q284 W285V277-V281 HydrophobicContact CG1-CB 3.98Å; V277-V281 HydrophobicContact CG1-CG1 3.89Å; P278-V281 HydrophobicContact CB-CG2 4.19Å; P278-V281 HydrophobicContact CG-CG2 4.26Å; P278-V281 WeakPolarHBondContact O-CB 3.2Å; P278-V281 PolarHBondContact O-N 2.96Å; N279-V281 VanDerWaalsContact C-N 3.27Å; N279-V281 PolarHBondContact O-N 2.99Å; V281-Q284 PolarHBondContact O-N 2.81Å; V281-W285 HydrophobicContact CG1-CD2 3.77Å; V281-W285 HydrophobicContact CG1-CE3 4.28Å; V281-W285 HydrophobicContact CG1-CG 4.25Å; V281-W285 HydrophobicContact CG1-CH2 4.06Å; V281-W285 HydrophobicContact CG1-CZ2 3.5Å; V281-W285 HydrophobicContact CG1-CZ3 4.41Å; V281-W285 VanDerWaalsContact O-CB 3.29Å; V281-W285 WeakPolarHBondContact O-CB 3.25Å; V281-W285 PolarHBondContact O-N 3.34Å
282L90.3Very high84.3Confident11 Ų1173.7 Ų73.76%0.05840%0.398CS..Hα-helixtrans-64.7-39.3173.2-60.7-179.8000111.7M266 V277 P278 N279 W285 F286 A294 M298M266-L282 HydrophobicContact CE-CD2 4.05Å; V277-L282 HydrophobicContact CB-CD2 4.08Å; V277-L282 HydrophobicContact CB-CG 4.41Å; V277-L282 HydrophobicContact CG1-CD2 3.64Å; V277-L282 HydrophobicContact CG1-CG 3.99Å; P278-L282 PolarHBondContact O-N 3.37Å; P278-L282 VanDerWaalsContact O-N 3.1Å; N279-L282 PolarHBondContact O-N 3.07Å; L282-W285 PolarHBondContact O-N 2.93Å; L282-F286 HydrophobicContact CB-CD2 4.4Å; L282-F286 HydrophobicContact CD2-CD2 4.47Å; L282-F286 HydrophobicContact CD2-CE2 3.88Å; L282-F286 WeakPolarHBondContact O-CB 3.31Å; L282-F286 PolarHBondContact O-N 2.86Å; L282-A294 HydrophobicContact CB-CB 4.37Å; L282-M298 HydrophobicContact CD1-CG 4.37Å
283A87.1Confident85Confident10 Ų1068.1 Ų68.18%0.08336%0.364CS..Hα-helixtrans-60.8-49.317500000111.3N279 S287 F288 A294N279-A283 WeakPolarHBondContact O-CB 3.38Å; N279-A283 PolarHBondContact O-N 2.97Å; A283-S287 WeakPolarHBondContact O-CA 3.39Å; A283-S287 PolarHBondContact O-N 3.44Å; A283-F288 HydrophobicContact CB-CB 4.2Å; A283-F288 PolarHBondContact O-N 3.21Å; A283-A294 HydrophobicContact CB-CB 4.2Å
284Q87.5Confident85.9Confident141 Ų14156.4 Ų56.466%0.65932%0.32SS*.Hα-helixtrans-61.9-45.1175.7-171-17356.800112.7D280 V281D280-Q284 WeakPolarHBondContact O-CB 3.25Å; D280-Q284 PolarHBondContact O-N 2.92Å; V281-Q284 PolarHBondContact O-N 2.81Å
285W90.2Very high86.6Confident92 Ų9255.1 Ų55.135%0.34831%0.311SS..Hα-helixtrans-74.5-29.6-174.4-72.48.5000113.9I233 F236 M266 V281 L282I233-W285 HydrophobicContact CD1-CB 3.71Å; I233-W285 HydrophobicContact CD1-CD2 3.83Å; I233-W285 HydrophobicContact CD1-CE3 4.05Å; I233-W285 HydrophobicContact CD1-CG 3.69Å; F236-W285 WeakPolarHBondContact CB-O 3.43Å; F236-W285 WeakPolarHBondContact CD2-O 3.3Å; M266-W285 HydrophobicContact CE-CE3 4.39Å; M266-W285 HydrophobicContact CE-CZ3 3.98Å; V281-W285 HydrophobicContact CG1-CD2 3.77Å; V281-W285 HydrophobicContact CG1-CE3 4.28Å; V281-W285 HydrophobicContact CG1-CG 4.25Å; V281-W285 HydrophobicContact CG1-CH2 4.06Å; V281-W285 HydrophobicContact CG1-CZ2 3.5Å; V281-W285 HydrophobicContact CG1-CZ3 4.41Å; V281-W285 VanDerWaalsContact O-CB 3.29Å; V281-W285 WeakPolarHBondContact O-CB 3.25Å; V281-W285 PolarHBondContact O-N 3.34Å; L282-W285 PolarHBondContact O-N 2.93Å
286F89.2Confident87.1Confident1 Ų152.6 Ų52.60%0.00430%0.296CS..Hα-helixtrans-11413.7-175.9-55.5-33.2000114Y232 F236 R259 A262 I263 M266 L282 F288Y232-F286 HydrophobicContact CD2-CD1 4.43Å; Y232-F286 AromaticContact CD2-CE1 3.58Å; Y232-F286 HydrophobicContact CD2-CE1 3.58Å; Y232-F286 HydrophobicContact CD2-CZ 4.45Å; Y232-F286 AromaticContact CE2-CE1 4Å; Y232-F286 HydrophobicContact CE2-CE1 4Å; Y232-F286 HydrophobicContact CG-CE1 4.23Å; F236-F286 HydrophobicContact CD2-CB 4.35Å; F236-F286 AromaticContact CD2-CD1 3.98Å; F236-F286 HydrophobicContact CD2-CD1 3.98Å; F236-F286 WeakPolarHBondContact CE1-O 3.18Å; F236-F286 HydrophobicContact CE2-CB 4.08Å; F236-F286 AromaticContact CE2-CD1 3.92Å; F236-F286 HydrophobicContact CE2-CD1 3.92Å; F236-F286 HydrophobicContact CE2-CG 4.37Å; F236-F286 HydrophobicContact CZ-CB 4.4Å; R259-F286 HydrophobicContact CG-CB 3.84Å; R259-F286 HydrophobicContact CG-CG 4.25Å; R259-F286 PolarHBondContact NE-O 2.78Å; R259-F286 PolarHBondContact NH2-O 3.39Å; A262-F286 HydrophobicContact CB-CD1 4.26Å; A262-F286 HydrophobicContact CB-CE1 3.39Å; A262-F286 HydrophobicContact CB-CE2 4.4Å; A262-F286 HydrophobicContact CB-CZ 3.46Å; A262-F286 VanDerWaalsContact CB-CZ 3.46Å; I263-F286 HydrophobicContact CD1-CE2 4.27Å; I263-F286 HydrophobicContact CG1-CE2 3.76Å; I263-F286 HydrophobicContact CG1-CZ 4.35Å; M266-F286 HydrophobicContact SD-CE2 4.47Å; M266-F286 HydrophobicContact SD-CZ 3.68Å; L282-F286 HydrophobicContact CB-CD2 4.4Å; L282-F286 HydrophobicContact CD2-CD2 4.47Å; L282-F286 HydrophobicContact CD2-CE2 3.88Å; L282-F286 WeakPolarHBondContact O-CB 3.31Å; L282-F286 PolarHBondContact O-N 2.86Å; F286-F288 VanDerWaalsContact C-N 3.31Å; F286-F288 HydrophobicContact CB-CD2 3.87Å; F286-F288 HydrophobicContact CB-CE2 3.68Å; F286-F288 HydrophobicContact CD2-CE2 4.01Å; F286-F288 HydrophobicContact CG-CE2 4.37Å; F286-F288 PolarHBondContact O-N 2.67Å
287S86.2Confident87.4Confident5 Ų549.6 Ų49.64%0.03527%0.268CS..THydrogen-bonded Turntrans52.144.4177.9-49.90000113.4F236 Q240 R259 A283 Q321F236-S287 WeakPolarHBondContact CD1-OG 3.32Å; Q240-S287 VanDerWaalsContact CD-OG 3.24Å; Q240-S287 WeakPolarHBondContact CG-OG 3.44Å; Q240-S287 PolarHBondContact NE2-OG 3.46Å; R259-S287 VanDerWaalsContact NH2-C 3.29Å; R259-S287 PolarHBondContact NH2-O 2.86Å; A283-S287 WeakPolarHBondContact O-CA 3.39Å; A283-S287 PolarHBondContact O-N 3.44Å; S287-Q321 PolarHBondContact O-NE2 3.04Å
288F85.2Confident87.4Confident13 Ų1350 Ų506%0.05727%0.267CS..  trans-76.4157.1164.6-64.8-86.7000109.6R259 A283 F286 A293 A294 F297 L319R259-F288 VanDerWaalsContact CD-CZ 3.49Å; R259-F288 HydrophobicContact CG-CE2 4.23Å; R259-F288 HydrophobicContact CG-CZ 3.99Å; A283-F288 HydrophobicContact CB-CB 4.2Å; A283-F288 PolarHBondContact O-N 3.21Å; F286-F288 VanDerWaalsContact C-N 3.31Å; F286-F288 HydrophobicContact CB-CD2 3.87Å; F286-F288 HydrophobicContact CB-CE2 3.68Å; F286-F288 HydrophobicContact CD2-CE2 4.01Å; F286-F288 HydrophobicContact CG-CE2 4.37Å; F286-F288 PolarHBondContact O-N 2.67Å; F288-A293 HydrophobicContact CB-CB 4.29Å; F288-A293 HydrophobicContact CD1-CB 4.17Å; F288-A294 HydrophobicContact CB-CB 4.35Å; F288-A294 HydrophobicContact CD2-CB 3.77Å; F288-A294 HydrophobicContact CE2-CB 4.12Å; F288-A294 HydrophobicContact CG-CB 4.06Å; F288-F297 HydrophobicContact CE1-CB 3.64Å; F288-F297 HydrophobicContact CE1-CD1 4.3Å; F288-F297 HydrophobicContact CE1-CD2 4.4Å; F288-F297 AromaticContact CE1-CG 3.86Å; F288-F297 HydrophobicContact CE1-CG 3.86Å; F288-F297 HydrophobicContact CZ-CB 3.7Å; F288-F297 AromaticContact CZ-CD1 3.68Å; F288-F297 HydrophobicContact CZ-CD1 3.68Å; F288-F297 HydrophobicContact CZ-CE1 4.47Å; F288-F297 AromaticContact CZ-CG 3.72Å; F288-F297 HydrophobicContact CZ-CG 3.72Å; F288-L319 HydrophobicContact CD1-CD1 4.15Å; F288-L319 HydrophobicContact CE1-CD1 3.7Å
289D77.8Confident87.2Confident83 Ų8350.8 Ų50.844%0.44427%0.268SS..SBendtrans-63.2-44.9177.3-58-96.1000112.1Q321D289-Q321 WeakPolarHBondContact OD1-CG 3.41Å
290D84.7Confident87Confident70 Ų7053.1 Ų53.137%0.37428%0.28SS..SBendtrans-150.1178.7176.773.31.5000112.1N292 A293 A294D290-N292 PolarHBondContact O-N 3.28Å; D290-N292 WeakPolarHBondContact OD1-CA 3.44Å; D290-N292 WeakPolarHBondContact OD1-CB 3.23Å; D290-N292 PolarHBondContact OD1-N 3.05Å; D290-N292 PolarHBondContact OD2-ND2 3.38Å; D290-A293 PolarHBondContact O-N 3.48Å; D290-A293 WeakPolarHBondContact OD1-CB 3.42Å; D290-A293 PolarHBondContact OD1-N 2.87Å; D290-A294 PolarHBondContact O-N 3.3Å
291S89Confident86.6Confident31 Ų3148.7 Ų48.722%0.21726%0.257CS..Hα-helixtrans-68.1-18.5177.4-48.60000113.3D280 Q295D280-S291 WeakPolarHBondContact CA-OG 3.49Å; D280-S291 WeakPolarHBondContact OD1-CB 3.37Å; D280-S291 PolarHBondContact OD1-OG 3.04Å; S291-Q295 WeakPolarHBondContact O-CB 3.3Å; S291-Q295 PolarHBondContact O-N 3.33Å
292N88.2Confident86Confident116 Ų11649.8 Ų49.862%0.6226%0.263SS*.Hα-helixtrans-78.9-41.5177.6-55-60000110.9D290 A294 Q295 S296D290-N292 PolarHBondContact O-N 3.28Å; D290-N292 WeakPolarHBondContact OD1-CA 3.44Å; D290-N292 WeakPolarHBondContact OD1-CB 3.23Å; D290-N292 PolarHBondContact OD1-N 3.05Å; D290-N292 PolarHBondContact OD2-ND2 3.38Å; N292-A294 VanDerWaalsContact C-N 3.32Å; N292-Q295 PolarHBondContact O-N 2.82Å; N292-S296 WeakPolarHBondContact O-CB 3.3Å; N292-S296 PolarHBondContact O-N 3.21Å
293A83.2Confident85.5Confident17 Ų1753.3 Ų53.314%0.1429%0.294CS..Hα-helixtrans-64.8-36.9172.300000111.6F288 D290 F297F288-A293 HydrophobicContact CB-CB 4.29Å; F288-A293 HydrophobicContact CD1-CB 4.17Å; D290-A293 PolarHBondContact O-N 3.48Å; D290-A293 WeakPolarHBondContact OD1-CB 3.42Å; D290-A293 PolarHBondContact OD1-N 2.87Å; A293-F297 WeakPolarHBondContact O-CB 3.39Å; A293-F297 PolarHBondContact O-N 3.32Å; A293-F297 VanDerWaalsContact O-N 3.11Å
294A87.9Confident84.7Confident0 Ų056.2 Ų56.20%031%0.311CS..Hα-helixtrans-63.6-44.817100000112.1L282 A283 F288 D290 N292 F297 M298L282-A294 HydrophobicContact CB-CB 4.37Å; A283-A294 HydrophobicContact CB-CB 4.2Å; F288-A294 HydrophobicContact CB-CB 4.35Å; F288-A294 HydrophobicContact CD2-CB 3.77Å; F288-A294 HydrophobicContact CE2-CB 4.12Å; F288-A294 HydrophobicContact CG-CB 4.06Å; D290-A294 PolarHBondContact O-N 3.3Å; N292-A294 VanDerWaalsContact C-N 3.32Å; A294-F297 PolarHBondContact O-N 3.26Å; A294-M298 WeakPolarHBondContact O-CG 3.28Å; A294-M298 PolarHBondContact O-N 2.86Å
295Q88.4Confident83.7Confident71 Ų7151.9 Ų51.933%0.33229%0.29SS..Hα-helixtrans-62.8-50.2175.6179.957.852.500111.8N279 S291 N292 F297 M298 D299N279-Q295 PolarHBondContact ND2-OE1 2.94Å; S291-Q295 WeakPolarHBondContact O-CB 3.3Å; S291-Q295 PolarHBondContact O-N 3.33Å; N292-Q295 PolarHBondContact O-N 2.82Å; Q295-F297 VanDerWaalsContact C-N 3.26Å; Q295-F297 PolarHBondContact O-N 3.01Å; Q295-M298 CarbonylContact O-C 3.58Å; Q295-M298 WeakPolarHBondContact O-CA 3.2Å; Q295-M298 WeakPolarHBondContact O-CB 3.33Å; Q295-M298 PolarHBondContact O-N 3.03Å; Q295-D299 WeakPolarHBondContact CG-OD2 3.48Å; Q295-D299 PolarHBondContact NE2-OD1 3.4Å; Q295-D299 PolarHBondContact NE2-OD2 3.5Å; Q295-D299 PolarHBondContact O-N 3.22Å
296S87.7Confident82.1Confident58 Ų5848.6 Ų48.641%0.40629%0.285SS..Hα-helixtrans-55.8-40.6178.5-170.30000111.9N292 D299 D300N292-S296 WeakPolarHBondContact O-CB 3.3Å; N292-S296 PolarHBondContact O-N 3.21Å; S296-D299 PolarHBondContact O-N 3.25Å; S296-D300 WeakPolarHBondContact O-CB 3.13Å; S296-D300 PolarHBondContact O-N 3.41Å
297F86.7Confident80.4Confident17 Ų1753.3 Ų53.38%0.07532%0.316CS..Hα-helixtrans-68.1-34.1176.7-171.1-99.5000113P256 R259 I263 F288 A293 A294 Q295 L301 L319P256-F297 HydrophobicContact CB-CE2 3.92Å; P256-F297 HydrophobicContact CB-CZ 4.18Å; R259-F297 HydrophobicContact CB-CD1 4.36Å; R259-F297 HydrophobicContact CB-CE1 3.53Å; R259-F297 HydrophobicContact CB-CZ 3.79Å; R259-F297 HydrophobicContact CG-CE1 4.46Å; I263-F297 HydrophobicContact CD1-CD1 3.92Å; I263-F297 HydrophobicContact CD1-CE1 3.77Å; F288-F297 HydrophobicContact CE1-CB 3.64Å; F288-F297 HydrophobicContact CE1-CD1 4.3Å; F288-F297 HydrophobicContact CE1-CD2 4.4Å; F288-F297 AromaticContact CE1-CG 3.86Å; F288-F297 HydrophobicContact CE1-CG 3.86Å; F288-F297 HydrophobicContact CZ-CB 3.7Å; F288-F297 AromaticContact CZ-CD1 3.68Å; F288-F297 HydrophobicContact CZ-CD1 3.68Å; F288-F297 HydrophobicContact CZ-CE1 4.47Å; F288-F297 AromaticContact CZ-CG 3.72Å; F288-F297 HydrophobicContact CZ-CG 3.72Å; A293-F297 WeakPolarHBondContact O-CB 3.39Å; A293-F297 PolarHBondContact O-N 3.32Å; A293-F297 VanDerWaalsContact O-N 3.11Å; A294-F297 PolarHBondContact O-N 3.26Å; Q295-F297 VanDerWaalsContact C-N 3.26Å; Q295-F297 PolarHBondContact O-N 3.01Å; F297-L301 HydrophobicContact CD1-CD1 3.93Å; F297-L301 HydrophobicContact CD1-CG 4.45Å; F297-L301 HydrophobicContact CE1-CD1 3.55Å; F297-L301 HydrophobicContact CE1-CG 4.14Å; F297-L301 HydrophobicContact CZ-CD1 4.24Å; F297-L301 HydrophobicContact CZ-CG 4.45Å; F297-L301 WeakPolarHBondContact O-CB 3.08Å; F297-L301 WeakPolarHBondContact O-CG 3.47Å; F297-L301 PolarHBondContact O-N 3.04Å; F297-L301 VanDerWaalsContact O-N 3.11Å; F297-L319 HydrophobicContact CB-CD1 4.04Å; F297-L319 HydrophobicContact CD2-CD1 3.73Å; F297-L319 HydrophobicContact CG-CD1 4.24Å
298M86.6Confident78.8Confident54 Ų5461.3 Ų61.327%0.26636%0.358SS..Hα-helixtrans-69.5-37.1172.8-70.8-64-59.600111.8I263 L282 A294 Q295 T302I263-M298 HydrophobicContact CD1-SD 3.6Å; I263-M298 HydrophobicContact CG1-SD 4.03Å; I263-M298 HydrophobicContact CG2-CE 4.21Å; I263-M298 HydrophobicContact CG2-SD 4.01Å; L282-M298 HydrophobicContact CD1-CG 4.37Å; A294-M298 WeakPolarHBondContact O-CG 3.28Å; A294-M298 PolarHBondContact O-N 2.86Å; Q295-M298 CarbonylContact O-C 3.58Å; Q295-M298 WeakPolarHBondContact O-CA 3.2Å; Q295-M298 WeakPolarHBondContact O-CB 3.33Å; Q295-M298 PolarHBondContact O-N 3.03Å; M298-T302 WeakPolarHBondContact O-CB 3.43Å; M298-T302 PolarHBondContact O-N 3.48Å; M298-T302 PolarHBondContact O-OG1 2.84Å
299D86.8Confident76.8Confident84 Ų8464.7 Ų64.745%0.44938%0.379SS..Hα-helixtrans-68.2-45.1175.1-68.7-38.5000111.5Q295 S296 L301 T302 A303Q295-D299 WeakPolarHBondContact CG-OD2 3.48Å; Q295-D299 PolarHBondContact NE2-OD1 3.4Å; Q295-D299 PolarHBondContact NE2-OD2 3.5Å; Q295-D299 PolarHBondContact O-N 3.22Å; S296-D299 PolarHBondContact O-N 3.25Å; D299-L301 VanDerWaalsContact C-N 3.34Å; D299-L301 PolarHBondContact O-N 3.31Å; D299-T302 CarbonylContact O-C 3.58Å; D299-T302 PolarHBondContact O-N 3.11Å; D299-T302 VanDerWaalsContact O-N 3.09Å; D299-A303 WeakPolarHBondContact O-CB 3.49Å; D299-A303 PolarHBondContact O-N 2.92Å
300D83.3Confident75.1Confident95 Ų9567.3 Ų67.351%0.50838%0.383SS..Hα-helixtrans-58.8-43.1175-76.7-32.2000112.1S296 T304S296-D300 WeakPolarHBondContact O-CB 3.13Å; S296-D300 PolarHBondContact O-N 3.41Å; D300-T304 WeakPolarHBondContact O-CB 3.27Å; D300-T304 PolarHBondContact O-N 3.39Å; D300-T304 PolarHBondContact O-OG1 2.86Å
301L80.9Confident73Confident11 Ų1164.9 Ų64.96%0.05837%0.371CS..Hα-helixtrans-63.4-42.6173.5-77.2176.5000111.7T260 I263 F297 D299 T304 F305T260-L301 HydrophobicContact CG2-CD2 4Å; I263-L301 HydrophobicContact CD1-CD1 3.77Å; I263-L301 HydrophobicContact CG2-CD1 4.36Å; F297-L301 HydrophobicContact CD1-CD1 3.93Å; F297-L301 HydrophobicContact CD1-CG 4.45Å; F297-L301 HydrophobicContact CE1-CD1 3.55Å; F297-L301 HydrophobicContact CE1-CG 4.14Å; F297-L301 HydrophobicContact CZ-CD1 4.24Å; F297-L301 HydrophobicContact CZ-CG 4.45Å; F297-L301 WeakPolarHBondContact O-CB 3.08Å; F297-L301 WeakPolarHBondContact O-CG 3.47Å; F297-L301 PolarHBondContact O-N 3.04Å; F297-L301 VanDerWaalsContact O-N 3.11Å; D299-L301 VanDerWaalsContact C-N 3.34Å; D299-L301 PolarHBondContact O-N 3.31Å; L301-T304 PolarHBondContact O-N 3.41Å; L301-F305 HydrophobicContact CD2-CD2 4.29Å; L301-F305 HydrophobicContact CD2-CE2 3.87Å; L301-F305 VanDerWaalsContact O-CD2 3.31Å; L301-F305 WeakPolarHBondContact O-CD2 3.33Å; L301-F305 PolarHBondContact O-N 3.29Å; L301-F305 VanDerWaalsContact O-N 3.07Å
302T80.2Confident70.6Confident65 Ų6566.9 Ų66.940%0.39938%0.384SS..Hα-helixtrans-68.7-36.3-179.7-56.90000111.7M298 D299 G306M298-T302 WeakPolarHBondContact O-CB 3.43Å; M298-T302 PolarHBondContact O-N 3.48Å; M298-T302 PolarHBondContact O-OG1 2.84Å; D299-T302 CarbonylContact O-C 3.58Å; D299-T302 PolarHBondContact O-N 3.11Å; D299-T302 VanDerWaalsContact O-N 3.09Å; T302-G306 CarbonylContact O-C 3.56Å; T302-G306 WeakPolarHBondContact O-CA 3.37Å; T302-G306 PolarHBondContact O-N 2.91Å
303A79.3Confident68.2Low85 Ų8567 Ų6770%0.70238%0.383SS*.Hα-helixtrans-71-38.6173.600000112.2D299D299-A303 WeakPolarHBondContact O-CB 3.49Å; D299-A303 PolarHBondContact O-N 2.92Å
304T70.6Confident65.9Low71 Ų7170.2 Ų70.244%0.43639%0.391SS..Hα-helixtrans-65.6-41.6178.1-56.10000112.1D300 L301 R314D300-T304 WeakPolarHBondContact O-CB 3.27Å; D300-T304 PolarHBondContact O-N 3.39Å; D300-T304 PolarHBondContact O-OG1 2.86Å; L301-T304 PolarHBondContact O-N 3.41Å; T304-R314 PolarHBondContact OG1-NH1 3.37Å
305F66.4Low63.2Low50 Ų5076.1 Ų76.122%0.21942%0.423CS..Hα-helixtrans-110.4-21.4-169.3-60.4-59.7000114.8L301 V309 P311 P312L301-F305 HydrophobicContact CD2-CD2 4.29Å; L301-F305 HydrophobicContact CD2-CE2 3.87Å; L301-F305 VanDerWaalsContact O-CD2 3.31Å; L301-F305 WeakPolarHBondContact O-CD2 3.33Å; L301-F305 PolarHBondContact O-N 3.29Å; L301-F305 VanDerWaalsContact O-N 3.07Å; F305-V309 HydrophobicContact CB-CB 4.41Å; F305-V309 HydrophobicContact CB-CG1 4.33Å; F305-V309 WeakPolarHBondContact O-CB 3.36Å; F305-V309 WeakPolarHBondContact O-CG1 3.45Å; F305-V309 VanDerWaalsContact O-CG2 3.28Å; F305-V309 WeakPolarHBondContact O-CG2 3.27Å; F305-P311 HydrophobicContact CD2-CB 3.63Å; F305-P311 HydrophobicContact CD2-CG 3.84Å; F305-P311 HydrophobicContact CE2-CB 3.78Å; F305-P311 HydrophobicContact CE2-CG 4.4Å; F305-P311 HydrophobicContact CG-CB 4.34Å; F305-P312 HydrophobicContact CD1-CG 4.31Å; F305-P312 HydrophobicContact CE1-CG 3.59Å; F305-P312 HydrophobicContact CZ-CG 3.83Å
306G55Low60.3Low23 Ų2376.3 Ų76.324%0.23743%0.426CS..  trans93.1153.9-177.500000113.5T302 N308 V309T302-G306 CarbonylContact O-C 3.56Å; T302-G306 WeakPolarHBondContact O-CA 3.37Å; T302-G306 PolarHBondContact O-N 2.91Å; G306-N308 PolarHBondContact O-N 3.01Å; G306-V309 WeakPolarHBondContact O-CB 3.4Å; G306-V309 PolarHBondContact O-N 2.71Å; G306-V309 VanDerWaalsContact O-N 3.15Å
307P55.4Low57.9Low101 Ų10175.6 Ų75.666%0.65642%0.42SS*.THydrogen-bonded Turntrans-62.4133.9-178.326-34.7000111.7V309P307-V309 PolarHBondContact O-N 2.95Å
308N50.8Low55.1Low172 Ų17278.3 Ų78.392%0.9245%0.446SS*.THydrogen-bonded Turntrans663.9-175.2-48.9-77.4000116.1G306G306-N308 PolarHBondContact O-N 3.01Å
309V44.7Very low52.5Low84 Ų8478.4 Ų78.451%0.50945%0.447SS..PPolyproline II helixtrans-86.3120.9171.9-177.30000108.8F305 G306 P307 P311F305-V309 HydrophobicContact CB-CB 4.41Å; F305-V309 HydrophobicContact CB-CG1 4.33Å; F305-V309 WeakPolarHBondContact O-CB 3.36Å; F305-V309 WeakPolarHBondContact O-CG1 3.45Å; F305-V309 VanDerWaalsContact O-CG2 3.28Å; F305-V309 WeakPolarHBondContact O-CG2 3.27Å; G306-V309 WeakPolarHBondContact O-CB 3.4Å; G306-V309 PolarHBondContact O-N 2.71Å; G306-V309 VanDerWaalsContact O-N 3.15Å; P307-V309 PolarHBondContact O-N 2.95Å; V309-P311 WeakPolarHBondContact O-CD 3.49Å
310R42.1Very low50.3Low138 Ų13877.5 Ų77.552%0.52144%0.439SS..PPolyproline II helixtrans-67.5123.9177.8-178.9174.8-69.4149.23.3109.9T264 S267T264-R310 HydrophobicContact CG2-CG 4.05Å; S267-R310 PolarHBondContact O-NH2 2.91Å; S267-R310 PolarHBondContact OG-NE 2.9Å; S267-R310 VanDerWaalsContact OG-NE 3.09Å
311P40.3Very low48.1Very low19 Ų1975.5 Ų75.512%0.12343%0.427CS..PPolyproline II helixtrans-57.2141.6175.9-26.735.9000112.3T260 T264 F305 V309T260-P311 HydrophobicContact CG2-CB 4.29Å; T264-P311 WeakPolarHBondContact CG2-O 3.36Å; F305-P311 HydrophobicContact CD2-CB 3.63Å; F305-P311 HydrophobicContact CD2-CG 3.84Å; F305-P311 HydrophobicContact CE2-CB 3.78Å; F305-P311 HydrophobicContact CE2-CG 4.4Å; F305-P311 HydrophobicContact CG-CB 4.34Å; V309-P311 WeakPolarHBondContact O-CD 3.49Å
312P38.7Very low46.1Very low74 Ų7479.9 Ų79.948%0.48146%0.458SS..PPolyproline II helixtrans-68.7153.1160.131.8-33.6000110.3F305 R314F305-P312 HydrophobicContact CD1-CG 4.31Å; F305-P312 HydrophobicContact CE1-CG 3.59Å; F305-P312 HydrophobicContact CZ-CG 3.83Å; P312-R314 PolarHBondContact O-N 3.08Å
313I38.1Very low44.7Very low118 Ų11881.5 Ų81.561%0.60546%0.46SS*.PPolyproline II helixtrans-56118.9166.8-71.9169.1000108.2L257 N261L257-I313 HydrophobicContact CD1-CG2 4.31Å; N261-I313 WeakPolarHBondContact OD1-CG1 3.27Å; N261-I313 WeakPolarHBondContact OD1-CG2 3.31Å
314R34.4Very low43.4Very low85 Ų8585.8 Ų85.832%0.32147%0.47SS..  trans-123.9122-164.1-169.9-173.2179.2172.5-1.9112.6L257 T260 T304 P312 D316L257-R314 WeakPolarHBondContact CA-O 3.45Å; L257-R314 WeakPolarHBondContact CB-O 3.37Å; L257-R314 WeakPolarHBondContact CD1-O 3.3Å; T260-R314 HydrophobicContact CG2-CB 3.95Å; T304-R314 PolarHBondContact OG1-NH1 3.37Å; P312-R314 PolarHBondContact O-N 3.08Å; R314-D316 HydrophobicContact CG-CB 4.27Å; R314-D316 IonicContact CZ-OD2 2.72Å; R314-D316 IonicContact NE-OD2 3.13Å; R314-D316 PolarHBondContact NE-OD2 3.03Å; R314-D316 IonicContact NH2-OD2 3.98Å; R314-D316 PolarHBondContact NH2-OD2 3.09Å; R314-D316 PolarHBondContact O-N 2.78Å
315N30.5Very low43.2Very low123 Ų12385.6 Ų85.666%0.65847%0.468SS*.  trans-8957.5-179.9-65.1-12.5000112.6L257L257-N315 WeakPolarHBondContact CD1-OD1 3.44Å
316D28.4Very low44Very low75 Ų7587.4 Ų87.440%0.40148%0.481SS..  trans-120.5140.6175.8-94.1-51.5000111.2P256 R314P256-D316 WeakPolarHBondContact CB-O 3.33Å; R314-D316 HydrophobicContact CG-CB 4.27Å; R314-D316 IonicContact CZ-OD2 2.72Å; R314-D316 IonicContact NE-OD2 3.13Å; R314-D316 PolarHBondContact NE-OD2 3.03Å; R314-D316 IonicContact NH2-OD2 3.98Å; R314-D316 PolarHBondContact NH2-OD2 3.09Å; R314-D316 PolarHBondContact O-N 2.78Å
317P36.1Very low45.5Very low44 Ų4487.7 Ų87.729%0.28648%0.475SS..  trans-120.3106.9171.434.5-20.6000115Q253 P256Q253-P317 HydrophobicContact CB-CB 4.34Å; Q253-P317 HydrophobicContact CB-CG 4.29Å; Q253-P317 VanDerWaalsContact O-CB 3.3Å; Q253-P317 WeakPolarHBondContact O-CB 3.28Å; P256-P317 HydrophobicContact CG-CB 4.41Å
318A28.8Very low47.2Very low73 Ų7383.1 Ų83.160%0.60345%0.446SS*.  trans-136.9127.5157.800000111.2P256P256-A318 WeakPolarHBondContact CG-O 3.21Å
319L31.6Very low49.1Very low57 Ų5778.3 Ų78.330%0.29842%0.42SS..  trans152.5126154.4-91166.1000109.8H252 F288 F297H252-L319 PolarHBondContact NE2-O 2.72Å; F288-L319 HydrophobicContact CD1-CD1 4.15Å; F288-L319 HydrophobicContact CE1-CD1 3.7Å; F297-L319 HydrophobicContact CB-CD1 4.04Å; F297-L319 HydrophobicContact CD2-CD1 3.73Å; F297-L319 HydrophobicContact CG-CD1 4.24Å
320K41.1Very low51.4Low65 Ų6575.7 Ų75.728%0.28340%0.404SS..  trans-107.5130.4-173.4-92.2-167.9173.7-174.90113.5Y140 R141 S143Y140-K320 HydrophobicContact CE2-CD 4.29Å; Y140-K320 HydrophobicContact CE2-CG 4.28Å; Y140-K320 WeakPolarHBondContact O-CE 3.5Å; Y140-K320 PolarHBondContact O-NZ 3.21Å; R141-K320 PolarHBondContact O-NZ 2.86Å; R141-K320 VanDerWaalsContact O-NZ 3.12Å; S143-K320 WeakPolarHBondContact OG-CE 3.25Å
321Q36.2Very low53.9Low53 Ų5369.1 Ų69.125%0.24838%0.379CS..  trans-80.8143.4143.1-93.1170.2-8.300109.6Y140 S287 D289 F323Y140-Q321 PolarHBondContact OH-O 3.42Å; S287-Q321 PolarHBondContact O-NE2 3.04Å; D289-Q321 WeakPolarHBondContact OD1-CG 3.41Å; Q321-F323 HydrophobicContact CB-CD2 4.29Å; Q321-F323 HydrophobicContact CB-CE2 3.66Å; Q321-F323 HydrophobicContact CB-CZ 4.04Å
322S39.6Very low56.6Low102 Ų10268.6 Ų68.671%0.71338%0.375SS*.  trans-98.388.9178.848.40000112.1L324S322-L324 PolarHBondContact O-N 3.41Å
323F49.9Very low59.1Low100 Ų10067.3 Ų67.344%0.43938%0.376SS..  trans-79.2104.6171.3-63-76.5000110.7Y140 F245 Q321 V325Y140-F323 PolarHBondContact OH-N 2.85Å; F245-F323 HydrophobicContact CD2-CB 3.82Å; F245-F323 HydrophobicContact CE2-CB 3.65Å; Q321-F323 HydrophobicContact CB-CD2 4.29Å; Q321-F323 HydrophobicContact CB-CE2 3.66Å; Q321-F323 HydrophobicContact CB-CZ 4.04Å; F323-V325 PolarHBondContact O-N 3.14Å
324L53.1Low61.6Low175 Ų17562.7 Ų62.792%0.91636%0.357SS*.  trans-82.5105172.2-104162.5000109.7S322S322-L324 PolarHBondContact O-N 3.41Å
325V65.5Low64.3Low66 Ų6664.5 Ų64.540%0.438%0.38SS..  trans-140.6146.8178.2-176.90000107.9F245 F323 H327 V330F245-V325 HydrophobicContact CD2-CB 3.9Å; F245-V325 HydrophobicContact CD2-CG2 3.44Å; F245-V325 VanDerWaalsContact CD2-CG2 3.44Å; F245-V325 HydrophobicContact CE2-CB 3.81Å; F245-V325 HydrophobicContact CE2-CG2 3.71Å; F245-V325 HydrophobicContact CG-CB 4.34Å; F245-V325 HydrophobicContact CG-CG2 4.12Å; F245-V325 HydrophobicContact CZ-CB 4.21Å; F323-V325 PolarHBondContact O-N 3.14Å; V325-H327 PolarHBondContact O-N 3.18Å; V325-V330 HydrophobicContact CG1-CG2 3.63Å
326D83.2Confident67.1Low89 Ų8960.9 Ų60.948%0.47636%0.362SS..  trans-60.8104.2171-179.8-15.5000110S328 L329 V330D326-S328 VanDerWaalsContact C-N 3.29Å; D326-S328 PolarHBondContact O-N 3.22Å; D326-S328 WeakPolarHBondContact OD1-CA 3.32Å; D326-S328 VanDerWaalsContact OD1-CB 3.26Å; D326-S328 WeakPolarHBondContact OD1-CB 3.17Å; D326-S328 PolarHBondContact OD1-N 3.15Å; D326-L329 HydrophobicContact CB-CB 3.9Å; D326-L329 PolarHBondContact O-N 2.92Å; D326-L329 PolarHBondContact OD1-N 3.34Å; D326-V330 WeakPolarHBondContact O-CG2 3.49Å; D326-V330 PolarHBondContact O-N 3.14Å; D326-V330 VanDerWaalsContact O-N 3.12Å
327H86.7Confident70.1Confident28 Ų2862.7 Ų62.713%0.1337%0.372CS..Hα-helixtrans-68.8-28.2-179.863.8-71.4000112.2L86 Y137 V325 I331L86-H327 PolarHBondContact O-NE2 3.47Å; Y137-H327 HydrophobicContact CD1-CB 4.2Å; Y137-H327 HydrophobicContact CD2-CB 4.1Å; Y137-H327 HydrophobicContact CE1-CB 3.77Å; Y137-H327 HydrophobicContact CE2-CB 3.67Å; Y137-H327 HydrophobicContact CG-CB 4.35Å; Y137-H327 VanDerWaalsContact CZ-CB 3.48Å; Y137-H327 AromaticContact CZ-CG 3.91Å; V325-H327 PolarHBondContact O-N 3.18Å; H327-I331 HydrophobicContact CB-CD1 4.41Å; H327-I331 VanDerWaalsContact O-CB 3.28Å; H327-I331 WeakPolarHBondContact O-CB 3.28Å; H327-I331 WeakPolarHBondContact O-CD1 3.38Å; H327-I331 WeakPolarHBondContact O-CG1 3.24Å; H327-I331 PolarHBondContact O-N 3.14Å
328S90.6Very high72.7Confident5 Ų567.6 Ų67.64%0.03539%0.391CS..Hα-helixtrans-68-47175.51720000111K87 D326 N332K87-S328 WeakPolarHBondContact CG-OG 3.36Å; D326-S328 VanDerWaalsContact C-N 3.29Å; D326-S328 PolarHBondContact O-N 3.22Å; D326-S328 WeakPolarHBondContact OD1-CA 3.32Å; D326-S328 VanDerWaalsContact OD1-CB 3.26Å; D326-S328 WeakPolarHBondContact OD1-CB 3.17Å; D326-S328 PolarHBondContact OD1-N 3.15Å; S328-N332 WeakPolarHBondContact O-CB 3.24Å; S328-N332 PolarHBondContact O-N 3.37Å; S328-N332 VanDerWaalsContact O-N 3.11Å; S328-N332 PolarHBondContact O-ND2 3.46Å
329L92Very high75.8Confident72 Ų7265.8 Ų65.838%0.37737%0.369SS..Hα-helixtrans-57.8-48.8174.4-175.775.8000111D326 G333 G334 P335D326-L329 HydrophobicContact CB-CB 3.9Å; D326-L329 PolarHBondContact O-N 2.92Å; D326-L329 PolarHBondContact OD1-N 3.34Å; L329-G333 PolarHBondContact O-N 3.16Å; L329-G334 VanDerWaalsContact CD1-C 3.5Å; L329-G334 PolarHBondContact O-N 3.2Å; L329-P335 HydrophobicContact CD1-CB 4.4Å; L329-P335 HydrophobicContact CD1-CG 3.91Å
330V92.1Very high78.7Confident28 Ų2868.4 Ų68.417%0.1739%0.387CS..Hα-helixtrans-61.1-49.8-179.5163.70000112.2R133 F245 L246 V325 D326 G333R133-V330 WeakPolarHBondContact CD-O 3Å; F245-V330 HydrophobicContact CD1-CB 4.48Å; F245-V330 HydrophobicContact CD1-CG1 3.81Å; F245-V330 HydrophobicContact CD1-CG2 4.02Å; F245-V330 HydrophobicContact CE1-CG1 4.05Å; F245-V330 HydrophobicContact CE1-CG2 4.4Å; L246-V330 HydrophobicContact CD1-CG1 3.58Å; L246-V330 HydrophobicContact CD2-CG1 3.62Å; L246-V330 HydrophobicContact CG-CG1 3.44Å; L246-V330 VanDerWaalsContact CG-CG1 3.44Å; V325-V330 HydrophobicContact CG1-CG2 3.63Å; D326-V330 WeakPolarHBondContact O-CG2 3.49Å; D326-V330 PolarHBondContact O-N 3.14Å; D326-V330 VanDerWaalsContact O-N 3.12Å; V330-G333 PolarHBondContact O-N 3.03Å; V330-G333 VanDerWaalsContact O-N 3.16Å
331I95.5Very high81.2Confident0 Ų069 Ų690%039%0.388CS..Hα-helixtrans-72.5-32.7-173.5-69.2164.9000111.5F82 L86 R133 F134 Y137 H327 G333F82-I331 HydrophobicContact CD1-CG2 4.09Å; F82-I331 HydrophobicContact CE1-CG2 4.45Å; L86-I331 HydrophobicContact CD1-CD1 3.85Å; L86-I331 HydrophobicContact CD2-CB 3.78Å; L86-I331 HydrophobicContact CD2-CD1 4.04Å; L86-I331 HydrophobicContact CD2-CG2 3.74Å; L86-I331 HydrophobicContact CG-CD1 4.44Å; R133-I331 HydrophobicContact CB-CB 4.32Å; R133-I331 HydrophobicContact CB-CG1 4.25Å; R133-I331 HydrophobicContact CB-CG2 4.31Å; R133-I331 WeakPolarHBondContact CD-O 3.38Å; R133-I331 PolarHBondContact NH1-O 3.2Å; F134-I331 HydrophobicContact CB-CD1 4.41Å; F134-I331 HydrophobicContact CB-CG2 4.1Å; F134-I331 HydrophobicContact CD2-CD1 4.26Å; Y137-I331 HydrophobicContact CD1-CD1 3.81Å; Y137-I331 HydrophobicContact CG-CD1 3.98Å; H327-I331 HydrophobicContact CB-CD1 4.41Å; H327-I331 VanDerWaalsContact O-CB 3.28Å; H327-I331 WeakPolarHBondContact O-CB 3.28Å; H327-I331 WeakPolarHBondContact O-CD1 3.38Å; H327-I331 WeakPolarHBondContact O-CG1 3.24Å; H327-I331 PolarHBondContact O-N 3.14Å; I331-G333 PolarHBondContact O-N 3.01Å
332N95.8Very high83.8Confident8 Ų868.8 Ų68.84%0.04339%0.391CS..Hα-helixtrans-73.2-12.6172.9-77.5-74.5000113.9F82 R130 S328 V336F82-N332 PolarHBondContact O-ND2 2.95Å; R130-N332 PolarHBondContact NE-OD1 3.01Å; R130-N332 PolarHBondContact NH2-O 3.38Å; R130-N332 VanDerWaalsContact NH2-O 3.09Å; R130-N332 PolarHBondContact NH2-OD1 2.97Å; S328-N332 WeakPolarHBondContact O-CB 3.24Å; S328-N332 PolarHBondContact O-N 3.37Å; S328-N332 VanDerWaalsContact O-N 3.11Å; S328-N332 PolarHBondContact O-ND2 3.46Å; N332-V336 HydrophobicContact CB-CG1 4Å; N332-V336 HydrophobicContact CB-CG2 3.92Å
333G92.3Very high85.9Confident48 Ų4871.9 Ų71.950%0.49540%0.399SS..THydrogen-bonded Turntrans78.918.1-177.300000113.9L329 V330 I331L329-G333 PolarHBondContact O-N 3.16Å; V330-G333 PolarHBondContact O-N 3.03Å; V330-G333 VanDerWaalsContact O-N 3.16Å; I331-G333 PolarHBondContact O-N 3.01Å
334G91.1Very high87.6Confident21 Ų2173.6 Ų73.622%0.21641%0.412CS..SBendtrans143.8-177.7-175.500000112.8L329L329-G334 VanDerWaalsContact CD1-C 3.5Å; L329-G334 PolarHBondContact O-N 3.2Å
335P90Very high89.3Confident123 Ų12370.4 Ų70.480%0.79940%0.402SS*.  trans-59.8143.5174.4-21.433.5000111.4L329L329-P335 HydrophobicContact CD1-CB 4.4Å; L329-P335 HydrophobicContact CD1-CG 3.91Å
336V89.9Confident90.5Very high46 Ų4668.4 Ų68.428%0.27939%0.391SS..  trans-138.1139.1176.3-82.20000108.4V83 N332V83-V336 HydrophobicContact CG1-CB 4.45Å; V83-V336 HydrophobicContact CG1-CG2 3.88Å; V83-V336 HydrophobicContact CG2-CB 4.39Å; V83-V336 HydrophobicContact CG2-CG2 4.05Å; N332-V336 HydrophobicContact CB-CG1 4Å; N332-V336 HydrophobicContact CB-CG2 3.92Å
337D91.2Very high90.8Very high114 Ų11467.4 Ų67.461%0.6140%0.395SS*.PPolyproline II helixtrans-55.9149.8176.5-6-83.2000110.5R79 V83R79-D337 IonicContact CZ-OD2 2.71Å; R79-D337 IonicContact NH1-OD2 2.76Å; R79-D337 PolarHBondContact NH1-OD2 2.85Å; R79-D337 PolarHBondContact NH2-O 3.28Å; R79-D337 IonicContact NH2-OD2 3.79Å; R79-D337 PolarHBondContact NH2-OD2 3.26Å; V83-D337 WeakPolarHBondContact CG1-O 3.3Å
338E90.2Very high90.9Very high147 Ų14768.5 Ų68.569%0.68741%0.406SS*.PPolyproline II helixtrans-56.7150.9-178.8-168140.8-12200112.2R79 V340R79-E338 PolarHBondContact NH2-O 3.08Å; E338-V340 PolarHBondContact O-N 3.28Å
339W94.1Very high90.9Very high34 Ų3469 Ų6913%0.12941%0.409CS..PPolyproline II helixtrans-82.7117.9174-17486.9000108.8L36 L48 F80 V83 C84 Y341 P342L36-W339 HydrophobicContact CD1-CE3 4.25Å; L36-W339 HydrophobicContact CD1-CH2 4.17Å; L36-W339 HydrophobicContact CD1-CZ3 3.49Å; L36-W339 VanDerWaalsContact CD1-CZ3 3.49Å; L48-W339 HydrophobicContact CD2-CH2 3.46Å; L48-W339 VanDerWaalsContact CD2-CH2 3.46Å; L48-W339 HydrophobicContact CD2-CZ2 4.21Å; L48-W339 HydrophobicContact CD2-CZ3 4.21Å; F80-W339 HydrophobicContact CB-CZ2 4.11Å; F80-W339 AromaticContact CD2-CD2 3.97Å; F80-W339 HydrophobicContact CD2-CD2 3.97Å; F80-W339 AromaticContact CD2-CE2 3.55Å; F80-W339 HydrophobicContact CD2-CE3 4.32Å; F80-W339 AromaticContact CD2-CH2 3.89Å; F80-W339 HydrophobicContact CD2-CH2 3.89Å; F80-W339 AromaticContact CD2-CZ2 3.5Å; F80-W339 HydrophobicContact CD2-CZ2 3.5Å; F80-W339 VanDerWaalsContact CD2-CZ2 3.5Å; F80-W339 HydrophobicContact CD2-CZ3 4.29Å; F80-W339 HydrophobicContact CE2-CH2 4.19Å; F80-W339 HydrophobicContact CE2-CZ2 4.24Å; F80-W339 HydrophobicContact CE2-CZ3 4.45Å; F80-W339 AromaticContact CG-CZ2 3.98Å; F80-W339 HydrophobicContact CG-CZ2 3.98Å; V83-W339 HydrophobicContact CB-CB 4.37Å; V83-W339 HydrophobicContact CG1-CB 4.31Å; C84-W339 HydrophobicContact CB-CB 3.85Å; C84-W339 HydrophobicContact CB-CD2 3.89Å; C84-W339 HydrophobicContact CB-CE3 4.05Å; C84-W339 HydrophobicContact CB-CG 3.8Å; W339-Y341 AromaticContact CH2-CD2 3.97Å; W339-Y341 HydrophobicContact CH2-CD2 3.97Å; W339-Y341 HydrophobicContact CH2-CG 4.42Å; W339-Y341 HydrophobicContact CZ3-CD2 4.15Å; W339-Y341 HydrophobicContact CZ3-CG 4.49Å; W339-P342 HydrophobicContact CZ2-CG 4.43Å
340V92.4Very high90.7Very high113 Ų11369 Ų6969%0.68541%0.407SS*.PPolyproline II helixtrans-98.1134.9177.8-176.30000108.7E338E338-V340 PolarHBondContact O-N 3.28Å
341Y92.9Very high90.5Very high77 Ų7770 Ų7030%0.30241%0.41SS..PPolyproline II helixtrans-63.4135.1176.6-177.3-84.9000111Q37 D45 C47 L48 W339 L343Q37-Y341 PolarHBondContact NE2-OH 3.15Å; D45-Y341 PolarHBondContact OD1-OH 3.16Å; D45-Y341 PolarHBondContact OD2-OH 2.85Å; C47-Y341 HydrophobicContact CB-CE1 4.28Å; C47-Y341 HydrophobicContact CB-CE2 3.85Å; C47-Y341 VanDerWaalsContact CB-OH 3.24Å; C47-Y341 WeakPolarHBondContact CB-OH 3.27Å; C47-Y341 PolarHBondContact SG-OH 2.87Å; L48-Y341 HydrophobicContact CD2-CD2 4.08Å; L48-Y341 HydrophobicContact CD2-CE2 3.99Å; L48-Y341 HydrophobicContact CG-CE2 4.31Å; W339-Y341 AromaticContact CH2-CD2 3.97Å; W339-Y341 HydrophobicContact CH2-CD2 3.97Å; W339-Y341 HydrophobicContact CH2-CG 4.42Å; W339-Y341 HydrophobicContact CZ3-CD2 4.15Å; W339-Y341 HydrophobicContact CZ3-CG 4.49Å; Y341-L343 PolarHBondContact O-N 3.42Å
342P90.8Very high90Very high48 Ų4875.9 Ų75.931%0.31245%0.452SS..PPolyproline II helixtrans-59124.3-179.5-24.834.2000113C47 W339C47-P342 HydrophobicContact CB-CG 4.27Å; W339-P342 HydrophobicContact CZ2-CG 4.43Å
343L85.3Confident89.5Confident168 Ų16878.9 Ų78.988%0.8847%0.474SS*.SBendtrans-72.5-40.1173-65.3174.9000111.5Y341Y341-L343 PolarHBondContact O-N 3.42Å
344D85.5Confident89.1Confident135 Ų13581.2 Ų81.272%0.72248%0.482SS*.SBendtrans-82.3131.5175.9-57.9-60.7000110.5
345P87.5Confident88.7Confident108 Ų10886.4 Ų86.470%0.70150%0.496SS*.PPolyproline II helixtrans-68.1149.6173.729.3-34.4000111
346P92.1Very high88.4Confident24 Ų2485.5 Ų85.516%0.15648%0.478CS..PPolyproline II helixtrans-52.5148.4175.9-28.934.2000113.4D11 H46 C47 S348D11-P346 WeakPolarHBondContact OD1-CA 3.38Å; H46-P346 HydrophobicContact CB-CG 4.15Å; H46-P346 VanDerWaalsContact O-CG 3.3Å; H46-P346 WeakPolarHBondContact O-CG 3.48Å; C47-P346 WeakPolarHBondContact SG-CD 3.48Å; P346-S348 PolarHBondContact O-N 3.12Å
347A88.8Confident88.2Confident68 Ų6886.2 Ų86.256%0.56248%0.482SS*.PPolyproline II helixtrans-57.7128.8-177.700000110.8D11 R18D11-A347 PolarHBondContact OD1-N 3.39Å; D11-A347 PolarHBondContact OD2-N 2.93Å; D11-A347 VanDerWaalsContact OD2-N 3.07Å; R18-A347 PolarHBondContact NH2-O 2.86Å
348S89.5Confident87.7Confident52 Ų5286.3 Ų86.336%0.36448%0.477SS..  trans-131.5135179.8-1770000112.9E15 P346 F350 K358E15-S348 WeakPolarHBondContact OE1-CA 3.42Å; E15-S348 VanDerWaalsContact OE1-CB 3.26Å; E15-S348 WeakPolarHBondContact OE1-CB 3.31Å; E15-S348 PolarHBondContact OE1-OG 3.32Å; P346-S348 PolarHBondContact O-N 3.12Å; S348-F350 PolarHBondContact O-N 3.13Å; S348-F350 PolarHBondContact OG-N 2.96Å; S348-K358 WeakPolarHBondContact O-CD 3.31Å
349S89.9Confident87.3Confident16 Ų1680.3 Ų80.311%0.11245%0.45CS..SBendtrans-72-11.4173.3-54.70000112.8E15 V357 K358E15-S349 VanDerWaalsContact CD-N 3.28Å; E15-S349 PolarHBondContact OE1-N 3.39Å; E15-S349 WeakPolarHBondContact OE2-CB 3.35Å; E15-S349 PolarHBondContact OE2-N 2.99Å; E15-S349 PolarHBondContact OE2-OG 3.02Å; S349-V357 PolarHBondContact O-N 3.22Å; S349-K358 PolarHBondContact O-N 3.07Å
350F88.7Confident86.4Confident72 Ų7283.6 Ų83.632%0.31648%0.475SS..BIsolated β-bridgetrans-94147.7-178.5-60.7-86.2000112.7E15 S348 S354 Y355 Y356 K358E15-F350 VanDerWaalsContact OE1-CD2 3.3Å; E15-F350 WeakPolarHBondContact OE1-CD2 3.42Å; S348-F350 PolarHBondContact O-N 3.13Å; S348-F350 PolarHBondContact OG-N 2.96Å; F350-S354 WeakPolarHBondContact CD1-O 3.19Å; F350-Y355 CarbonylContact C-O 3.44Å; F350-Y355 VanDerWaalsContact CA-O 3.26Å; F350-Y355 WeakPolarHBondContact CA-O 3.26Å; F350-Y356 HydrophobicContact CD1-CD2 4.34Å; F350-Y356 AromaticContact CE1-CD2 3.89Å; F350-Y356 HydrophobicContact CE1-CD2 3.89Å; F350-Y356 HydrophobicContact CE1-CG 4.39Å; F350-Y356 HydrophobicContact CE2-CD2 4.14Å; F350-Y356 AromaticContact CZ-CD2 3.77Å; F350-Y356 HydrophobicContact CZ-CD2 3.77Å; F350-K358 WeakPolarHBondContact O-CD 3.45Å; F350-K358 WeakPolarHBondContact O-CE 3.38Å; F350-K358 PolarHBondContact O-NZ 3.39Å
351D87.1Confident85.6Confident47 Ų4781 Ų8125%0.25146%0.46SS..  trans-82.4179.5166.274.15.6000112.8S353 S354 Y355 V357D351-S353 PolarHBondContact O-N 3.49Å; D351-S353 VanDerWaalsContact O-N 3.14Å; D351-S353 VanDerWaalsContact OD1-C 3.23Å; D351-S353 VanDerWaalsContact OD1-CA 3.27Å; D351-S353 WeakPolarHBondContact OD1-CA 3.39Å; D351-S353 WeakPolarHBondContact OD1-CB 3.49Å; D351-S353 PolarHBondContact OD1-N 3.11Å; D351-S354 PolarHBondContact O-N 3.48Å; D351-S354 VanDerWaalsContact O-N 3.11Å; D351-S354 PolarHBondContact OD1-N 2.91Å; D351-S354 VanDerWaalsContact OD1-N 3.08Å; D351-Y355 PolarHBondContact N-O 3.26Å; D351-Y355 PolarHBondContact OD1-N 3.31Å; D351-V357 HydrophobicContact CB-CG2 3.79Å
352S84.6Confident84.9Confident125 Ų12580.6 Ų80.687%0.87446%0.46SS*.THydrogen-bonded Turntrans-68.8-2.117756.70000114.2
353S86.7Confident84.4Confident71 Ų7182.7 Ų82.750%0.49746%0.461SS..THydrogen-bonded Turntrans-110.611.9175.1-42.40000111.5D351 Y355D351-S353 PolarHBondContact O-N 3.49Å; D351-S353 VanDerWaalsContact O-N 3.14Å; D351-S353 VanDerWaalsContact OD1-C 3.23Å; D351-S353 VanDerWaalsContact OD1-CA 3.27Å; D351-S353 WeakPolarHBondContact OD1-CA 3.39Å; D351-S353 WeakPolarHBondContact OD1-CB 3.49Å; D351-S353 PolarHBondContact OD1-N 3.11Å; S353-Y355 VanDerWaalsContact C-N 3.28Å; S353-Y355 PolarHBondContact O-N 3.46Å
354S82.6Confident84.1Confident97 Ų9780.6 Ų80.668%0.67844%0.443SS*.SBendtrans62.522.4-177.2-52.70000115.5F350 D351F350-S354 WeakPolarHBondContact CD1-O 3.19Å; D351-S354 PolarHBondContact O-N 3.48Å; D351-S354 VanDerWaalsContact O-N 3.11Å; D351-S354 PolarHBondContact OD1-N 2.91Å; D351-S354 VanDerWaalsContact OD1-N 3.08Å
355Y82.2Confident83.8Confident129 Ų12979.5 Ų79.551%0.50643%0.429SS..  trans-86.9133.6170.9-61.9-63.9000111.6F350 D351 S353 V357F350-Y355 CarbonylContact C-O 3.44Å; F350-Y355 VanDerWaalsContact CA-O 3.26Å; F350-Y355 WeakPolarHBondContact CA-O 3.26Å; D351-Y355 PolarHBondContact N-O 3.26Å; D351-Y355 PolarHBondContact OD1-N 3.31Å; S353-Y355 VanDerWaalsContact C-N 3.28Å; S353-Y355 PolarHBondContact O-N 3.46Å; Y355-V357 PolarHBondContact O-N 2.96Å; Y355-V357 VanDerWaalsContact O-N 3.1Å
356Y84.1Confident83.5Confident105 Ų10576.1 Ų76.141%0.41241%0.405SS..BIsolated β-bridgetrans-7595.1176.2-169.9-91.8000110.1F350 D359 F362F350-Y356 HydrophobicContact CD1-CD2 4.34Å; F350-Y356 AromaticContact CE1-CD2 3.89Å; F350-Y356 HydrophobicContact CE1-CD2 3.89Å; F350-Y356 HydrophobicContact CE1-CG 4.39Å; F350-Y356 HydrophobicContact CE2-CD2 4.14Å; F350-Y356 AromaticContact CZ-CD2 3.77Å; F350-Y356 HydrophobicContact CZ-CD2 3.77Å; Y356-D359 HydrophobicContact CE1-CB 3.71Å; Y356-D359 WeakPolarHBondContact OH-CB 3.45Å; Y356-D359 PolarHBondContact OH-OD2 3.18Å; Y356-F362 HydrophobicContact CE1-CB 4.26Å; Y356-F362 HydrophobicContact CE1-CG 4.37Å
357V85.3Confident82.9Confident60 Ų6082.6 Ų82.636%0.36443%0.433SS..  trans-136.9-3.2-171-58.80000114.8S349 D351 Y355 W363S349-V357 PolarHBondContact O-N 3.22Å; D351-V357 HydrophobicContact CB-CG2 3.79Å; Y355-V357 PolarHBondContact O-N 2.96Å; Y355-V357 VanDerWaalsContact O-N 3.1Å; V357-W363 PolarHBondContact O-NE1 3.03Å
358K81.4Confident82.5Confident117 Ų11785 Ų8551%0.50943%0.43SS..  trans-111.23.6-174.2-56.1173-178.2161.30115.3S348 S349 F350 P360S348-K358 WeakPolarHBondContact O-CD 3.31Å; S349-K358 PolarHBondContact O-N 3.07Å; F350-K358 WeakPolarHBondContact O-CD 3.45Å; F350-K358 WeakPolarHBondContact O-CE 3.38Å; F350-K358 PolarHBondContact O-NZ 3.39Å; K358-P360 WeakPolarHBondContact O-CD 3.38Å
359D81.8Confident82.3Confident21 Ų2189.2 Ų89.211%0.11244%0.442CS..  trans-75.1112.8175.5174.716.6000111.4Y356 T361 F362 W363Y356-D359 HydrophobicContact CE1-CB 3.71Å; Y356-D359 WeakPolarHBondContact OH-CB 3.45Å; Y356-D359 PolarHBondContact OH-OD2 3.18Å; D359-T361 PolarHBondContact O-N 2.89Å; D359-T361 WeakPolarHBondContact OD1-CA 3.44Å; D359-T361 WeakPolarHBondContact OD1-CB 3.34Å; D359-T361 PolarHBondContact OD1-N 3.08Å; D359-T361 PolarHBondContact OD1-OG1 3.06Å; D359-F362 HydrophobicContact CB-CB 4Å; D359-F362 WeakPolarHBondContact OD2-CB 3.39Å; D359-F362 PolarHBondContact OD2-N 3.02Å; D359-F362 VanDerWaalsContact OD2-N 3.08Å; D359-W363 PolarHBondContact O-N 3.07Å
360P74.6Confident81.7Confident102 Ų10295.4 Ų95.466%0.66247%0.474SS*.Hα-helixtrans-68.2-24.4178.5-15.531.9000112.5K358 Y364K358-P360 WeakPolarHBondContact O-CD 3.38Å; P360-Y364 VanDerWaalsContact O-CB 3.26Å; P360-Y364 WeakPolarHBondContact O-CB 3.43Å; P360-Y364 PolarHBondContact O-N 3.15Å
361T75.5Confident80.8Confident59 Ų5995.2 Ų95.236%0.36248%0.479SS..Hα-helixtrans-70.4-50.1-179.6-33.50000110.2D359 Y364 Y365D359-T361 PolarHBondContact O-N 2.89Å; D359-T361 WeakPolarHBondContact OD1-CA 3.44Å; D359-T361 WeakPolarHBondContact OD1-CB 3.34Å; D359-T361 PolarHBondContact OD1-N 3.08Å; D359-T361 PolarHBondContact OD1-OG1 3.06Å; T361-Y364 PolarHBondContact O-N 2.79Å; T361-Y365 HydrophobicContact CG2-CD2 4.11Å; T361-Y365 HydrophobicContact CG2-CE2 3.98Å; T361-Y365 VanDerWaalsContact O-CD2 3.26Å; T361-Y365 WeakPolarHBondContact O-CD2 3.47Å; T361-Y365 PolarHBondContact O-N 2.81Å
362F79.5Confident79.6Confident69 Ų69101.7 Ų101.730%0.30351%0.508SS..Hα-helixtrans-54.2-52.4172.3176.7-98.7000111.1Y356 D359 Y364 Y365 M366Y356-F362 HydrophobicContact CE1-CB 4.26Å; Y356-F362 HydrophobicContact CE1-CG 4.37Å; D359-F362 HydrophobicContact CB-CB 4Å; D359-F362 WeakPolarHBondContact OD2-CB 3.39Å; D359-F362 PolarHBondContact OD2-N 3.02Å; D359-F362 VanDerWaalsContact OD2-N 3.08Å; F362-Y364 PolarHBondContact O-N 3.41Å; F362-Y365 PolarHBondContact O-N 3.32Å; F362-Y365 VanDerWaalsContact O-N 3.13Å; F362-M366 HydrophobicContact CD1-CG 3.96Å; F362-M366 HydrophobicContact CD2-CE 4.32Å; F362-M366 HydrophobicContact CD2-CG 4.34Å; F362-M366 HydrophobicContact CE1-CG 3.58Å; F362-M366 HydrophobicContact CE1-SD 4.26Å; F362-M366 HydrophobicContact CE2-CE 3.83Å; F362-M366 HydrophobicContact CE2-CG 4Å; F362-M366 HydrophobicContact CE2-SD 3.93Å; F362-M366 HydrophobicContact CG-CG 4.32Å; F362-M366 HydrophobicContact CZ-CE 4.21Å; F362-M366 HydrophobicContact CZ-CG 3.6Å; F362-M366 HydrophobicContact CZ-SD 3.67Å; F362-M366 WeakPolarHBondContact O-CG 3.43Å; F362-M366 PolarHBondContact O-N 2.6Å
363W79.8Confident78.3Confident92 Ų92100.9 Ų100.935%0.34849%0.492SS..Hα-helixtrans-64-40-178.7-70.9124.1000113.6V357 D359 Y365 M366 Q367 I373V357-W363 PolarHBondContact O-NE1 3.03Å; D359-W363 PolarHBondContact O-N 3.07Å; W363-Y365 VanDerWaalsContact C-N 3.3Å; W363-Y365 PolarHBondContact O-N 3.49Å; W363-M366 HydrophobicContact CE3-CB 4.29Å; W363-M366 HydrophobicContact CE3-CG 4.32Å; W363-M366 PolarHBondContact O-N 2.75Å; W363-Q367 WeakPolarHBondContact O-CB 3.09Å; W363-Q367 PolarHBondContact O-N 3.2Å; W363-I373 HydrophobicContact CH2-CD1 4.22Å; W363-I373 HydrophobicContact CH2-CG2 4.33Å; W363-I373 HydrophobicContact CZ3-CD1 3.67Å; W363-I373 HydrophobicContact CZ3-CG1 4.03Å; W363-I373 HydrophobicContact CZ3-CG2 4.42Å
364Y79.8Confident76.5Confident124 Ų124101.8 Ų101.849%0.48650%0.496SS..Hα-helixtrans-56.8-43.6172.1172.6-97.7000111.8P360 T361 F362 K368P360-Y364 VanDerWaalsContact O-CB 3.26Å; P360-Y364 WeakPolarHBondContact O-CB 3.43Å; P360-Y364 PolarHBondContact O-N 3.15Å; T361-Y364 PolarHBondContact O-N 2.79Å; F362-Y364 PolarHBondContact O-N 3.41Å; Y364-K368 HydrophobicContact CE1-CD 3.66Å; Y364-K368 WeakPolarHBondContact O-CB 3.35Å; Y364-K368 PolarHBondContact O-N 2.75Å; Y364-K368 PolarHBondContact OH-NZ 2.98Å
365Y77.7Confident74.5Confident111 Ų111100.7 Ų100.744%0.43550%0.501SS..Hα-helixtrans-75.4-37.1-180-79.7-62.7000113.8T361 F362 W363 K368 F369T361-Y365 HydrophobicContact CG2-CD2 4.11Å; T361-Y365 HydrophobicContact CG2-CE2 3.98Å; T361-Y365 VanDerWaalsContact O-CD2 3.26Å; T361-Y365 WeakPolarHBondContact O-CD2 3.47Å; T361-Y365 PolarHBondContact O-N 2.81Å; F362-Y365 PolarHBondContact O-N 3.32Å; F362-Y365 VanDerWaalsContact O-N 3.13Å; W363-Y365 VanDerWaalsContact C-N 3.3Å; W363-Y365 PolarHBondContact O-N 3.49Å; Y365-K368 HydrophobicContact CD1-CD 4.46Å; Y365-K368 PolarHBondContact O-N 3.2Å; Y365-F369 AromaticContact CD1-CD2 3.98Å; Y365-F369 HydrophobicContact CD1-CD2 3.98Å; Y365-F369 AromaticContact CD1-CE2 3.52Å; Y365-F369 HydrophobicContact CD1-CE2 3.52Å; Y365-F369 HydrophobicContact CD1-CZ 4.48Å; Y365-F369 HydrophobicContact CE1-CE2 4.02Å; Y365-F369 WeakPolarHBondContact O-CD2 3.48Å; Y365-F369 PolarHBondContact O-N 2.92Å
366M81.1Confident72.7Confident38 Ų38104.7 Ų104.719%0.18752%0.515CS..Hα-helixtrans-57.4-48.8171.2-69.5-63.6101.500110.8F362 W363 N370 V371F362-M366 HydrophobicContact CD1-CG 3.96Å; F362-M366 HydrophobicContact CD2-CE 4.32Å; F362-M366 HydrophobicContact CD2-CG 4.34Å; F362-M366 HydrophobicContact CE1-CG 3.58Å; F362-M366 HydrophobicContact CE1-SD 4.26Å; F362-M366 HydrophobicContact CE2-CE 3.83Å; F362-M366 HydrophobicContact CE2-CG 4Å; F362-M366 HydrophobicContact CE2-SD 3.93Å; F362-M366 HydrophobicContact CG-CG 4.32Å; F362-M366 HydrophobicContact CZ-CE 4.21Å; F362-M366 HydrophobicContact CZ-CG 3.6Å; F362-M366 HydrophobicContact CZ-SD 3.67Å; F362-M366 WeakPolarHBondContact O-CG 3.43Å; F362-M366 PolarHBondContact O-N 2.6Å; W363-M366 HydrophobicContact CE3-CB 4.29Å; W363-M366 HydrophobicContact CE3-CG 4.32Å; W363-M366 PolarHBondContact O-N 2.75Å; M366-N370 WeakPolarHBondContact O-CA 3.47Å; M366-N370 PolarHBondContact O-N 2.93Å; M366-N370 VanDerWaalsContact O-N 3.07Å; M366-V371 HydrophobicContact CE-CB 4.33Å; M366-V371 HydrophobicContact CE-CG1 4.39Å; M366-V371 HydrophobicContact CE-CG2 4.4Å; M366-V371 PolarHBondContact O-N 2.63Å; M366-V371 HydrophobicContact SD-CB 3.96Å; M366-V371 HydrophobicContact SD-CG1 4Å
367Q80Confident70.5Confident159 Ų159104.2 Ų104.274%0.74353%0.525SS*.Hα-helixtrans-65.4-45.4177.9-170.5-178.919.900112W363 F369 N370W363-Q367 WeakPolarHBondContact O-CB 3.09Å; W363-Q367 PolarHBondContact O-N 3.2Å; Q367-F369 PolarHBondContact O-N 2.71Å; Q367-N370 PolarHBondContact O-N 3.17Å
368K80.9Confident68.3Low118 Ų118108.8 Ų108.851%0.51355%0.546SS..Hα-helixtrans-65-36.9-176.7179.6173.6-169.4166.10113.9Y364 Y365Y364-K368 HydrophobicContact CE1-CD 3.66Å; Y364-K368 WeakPolarHBondContact O-CB 3.35Å; Y364-K368 PolarHBondContact O-N 2.75Å; Y364-K368 PolarHBondContact OH-NZ 2.98Å; Y365-K368 HydrophobicContact CD1-CD 4.46Å; Y365-K368 PolarHBondContact O-N 3.2Å
369F84.5Confident66.3Low141 Ų141107.9 Ų107.962%0.61855%0.546SS*.THydrogen-bonded Turntrans-96.65.7178.1-66.9-58.3000113Y365 Q367 V371Y365-F369 AromaticContact CD1-CD2 3.98Å; Y365-F369 HydrophobicContact CD1-CD2 3.98Å; Y365-F369 AromaticContact CD1-CE2 3.52Å; Y365-F369 HydrophobicContact CD1-CE2 3.52Å; Y365-F369 HydrophobicContact CD1-CZ 4.48Å; Y365-F369 HydrophobicContact CE1-CE2 4.02Å; Y365-F369 WeakPolarHBondContact O-CD2 3.48Å; Y365-F369 PolarHBondContact O-N 2.92Å; Q367-F369 PolarHBondContact O-N 2.71Å; F369-V371 HydrophobicContact CB-CG2 3.85Å; F369-V371 PolarHBondContact O-N 2.83Å
370N76.9Confident64.5Low146 Ų146110 Ų11078%0.78156%0.561SS**THydrogen-bonded Turntrans49.442.2179.1-157.666.9000112.9M366 Q367M366-N370 WeakPolarHBondContact O-CA 3.47Å; M366-N370 PolarHBondContact O-N 2.93Å; M366-N370 VanDerWaalsContact O-N 3.07Å; Q367-N370 PolarHBondContact O-N 3.17Å
371V71.7Confident63.2Low69 Ų69109 Ų10942%0.41856%0.555SS.*PPolyproline II helixtrans-77.8123.7-178.7-178.20000108.5M366 F369 I373M366-V371 HydrophobicContact CE-CB 4.33Å; M366-V371 HydrophobicContact CE-CG1 4.39Å; M366-V371 HydrophobicContact CE-CG2 4.4Å; M366-V371 PolarHBondContact O-N 2.63Å; M366-V371 HydrophobicContact SD-CB 3.96Å; M366-V371 HydrophobicContact SD-CG1 4Å; F369-V371 HydrophobicContact CB-CG2 3.85Å; F369-V371 PolarHBondContact O-N 2.83Å; V371-I373 PolarHBondContact O-N 2.76Å
372E60.6Low61.9Low183 Ų183111.9 Ų111.986%0.85556%0.564SS**PPolyproline II helixtrans-60.1122.6172.3-68.5-168.315100109.8P374E372-P374 WeakPolarHBondContact O-CD 3.25Å
373I58.2Low60.5Low107 Ų107110.3 Ų110.355%0.54956%0.563SS.*PPolyproline II helixtrans-65120.3-178.3-54.8167.2000107.7W363 V371 G375W363-I373 HydrophobicContact CH2-CD1 4.22Å; W363-I373 HydrophobicContact CH2-CG2 4.33Å; W363-I373 HydrophobicContact CZ3-CD1 3.67Å; W363-I373 HydrophobicContact CZ3-CG1 4.03Å; W363-I373 HydrophobicContact CZ3-CG2 4.42Å; V371-I373 PolarHBondContact O-N 2.76Å; I373-G375 PolarHBondContact O-N 3.12Å; I373-G375 VanDerWaalsContact O-N 3.09Å
374P47.6Very low59Low90 Ų90109.8 Ų109.858%0.58457%0.567SS**PPolyproline II helixtrans-61.4119.1178.124-32.6000109.6E372 R376E372-P374 WeakPolarHBondContact O-CD 3.25Å; P374-R376 CarbonylContact O-C 3.59Å; P374-R376 PolarHBondContact O-N 3.49Å
375G41.3Very low57.7Low75 Ų75110.6 Ų110.677%0.77357%0.573SS**SBendtrans-63.693.1-174.300000112.4I373I373-G375 PolarHBondContact O-N 3.12Å; I373-G375 VanDerWaalsContact O-N 3.09Å
376R43.9Very low56.5Low213 Ų213114 Ų11480%0.80459%0.585SS**SBendtrans67.5140.7-162.2-57.9178.6170.2-172.2-4.6113.3P374 L378P374-R376 CarbonylContact O-C 3.59Å; P374-R376 PolarHBondContact O-N 3.49Å; R376-L378 PolarHBondContact O-N 3.34Å; R376-L378 VanDerWaalsContact O-N 3.16Å
377P39.5Very low54.9Low94 Ų94117.4 Ų117.461%0.6160%0.604SS**  trans-65.2114.8158.328.9-31.4000108.2I379P377-I379 VanDerWaalsContact C-N 3.31Å; P377-I379 PolarHBondContact O-N 3.13Å
378L37.6Very low53.5Low157 Ų157114.9 Ų114.982%0.82259%0.592SS**  trans-69.789.7170.9-75.7167.9000109.3R376 P380R376-L378 PolarHBondContact O-N 3.34Å; R376-L378 VanDerWaalsContact O-N 3.16Å; L378-P380 VanDerWaalsContact O-CD 3.25Å; L378-P380 WeakPolarHBondContact O-CD 3.37Å
379I40.6Very low52Low98 Ų98112.6 Ų112.650%0.50360%0.595SS.*  trans-64.2114.6144.4-59176.7000104.8P377 A383 L384P377-I379 VanDerWaalsContact C-N 3.31Å; P377-I379 PolarHBondContact O-N 3.13Å; I379-A383 HydrophobicContact CG2-CB 3.95Å; I379-L384 HydrophobicContact CG2-CB 4.19Å; I379-L384 HydrophobicContact CG2-CD1 4.34Å
380P44.2Very low50.2Low64 Ų64113.6 Ų113.642%0.41660%0.601SS.*  trans-59.3142173.8-20.933.5000108.9L378 E382 A383 L384L378-P380 VanDerWaalsContact O-CD 3.25Å; L378-P380 WeakPolarHBondContact O-CD 3.37Å; P380-E382 WeakPolarHBondContact CB-OE2 3.49Å; P380-E382 PolarHBondContact O-N 3.21Å; P380-A383 WeakPolarHBondContact O-CA 3.49Å; P380-A383 WeakPolarHBondContact O-CB 3.34Å; P380-A383 PolarHBondContact O-N 3.33Å; P380-L384 PolarHBondContact O-N 3.16Å
381P46.1Very low48.3Very low83 Ų83111.9 Ų111.954%0.53960%0.597SS.*Hα-helixtrans-58.6-21.6179.223-32000112.8K385P381-K385 WeakPolarHBondContact O-CB 3.26Å; P381-K385 VanDerWaalsContact O-CG 3.28Å; P381-K385 WeakPolarHBondContact O-CG 3.48Å; P381-K385 PolarHBondContact O-N 3.47Å
382E49.3Very low46.5Very low119 Ų119113.7 Ų113.756%0.55661%0.608SS**Hα-helixtrans-67.2-32.6170.1-61.269.1-149.800113.3P380 R386P380-E382 WeakPolarHBondContact CB-OE2 3.49Å; P380-E382 PolarHBondContact O-N 3.21Å; E382-R386 WeakPolarHBondContact O-CG 3.25Å; E382-R386 PolarHBondContact O-N 3.39Å
383A49.5Very low45.2Very low35 Ų35110.3 Ų110.329%0.28960%0.601SS.*Hα-helixtrans-79.3-38.5179.700000111.8I379 P380 K385 R386 L387I379-A383 HydrophobicContact CG2-CB 3.95Å; P380-A383 WeakPolarHBondContact O-CA 3.49Å; P380-A383 WeakPolarHBondContact O-CB 3.34Å; P380-A383 PolarHBondContact O-N 3.33Å; A383-K385 VanDerWaalsContact C-N 3.34Å; A383-R386 PolarHBondContact O-N 3.06Å; A383-L387 PolarHBondContact O-N 3.12Å
384L48.8Very low43.9Very low82 Ų82110.3 Ų110.343%0.42961%0.611SS.*Hα-helixtrans-61-46.7171.6-157.578000110.2I379 P380 R386 L387 E388I379-L384 HydrophobicContact CG2-CB 4.19Å; I379-L384 HydrophobicContact CG2-CD1 4.34Å; P380-L384 PolarHBondContact O-N 3.16Å; L384-R386 PolarHBondContact O-N 3.21Å; L384-L387 PolarHBondContact O-N 3.27Å; L384-L387 VanDerWaalsContact O-N 3.12Å; L384-E388 WeakPolarHBondContact O-CG 3.43Å; L384-E388 PolarHBondContact O-N 3.16Å
385K51.5Low43.2Very low141 Ų141111 Ų11161%0.61362%0.616SS**Hα-helixtrans-59.7-25.4174.6-77.6175.9177.1178.70114.7P381 A383 A389P381-K385 WeakPolarHBondContact O-CB 3.26Å; P381-K385 VanDerWaalsContact O-CG 3.28Å; P381-K385 WeakPolarHBondContact O-CG 3.48Å; P381-K385 PolarHBondContact O-N 3.47Å; A383-K385 VanDerWaalsContact C-N 3.34Å; K385-A389 WeakPolarHBondContact O-CB 3.13Å; K385-A389 PolarHBondContact O-N 2.84Å
386R52.2Low42.7Very low183 Ų183113.2 Ų113.269%0.69162%0.616SS**Hα-helixtrans-75.7-43.7173.9-77.6172.8-175.9-177.32111.6E382 A383 L384 E388 A389 E390E382-R386 WeakPolarHBondContact O-CG 3.25Å; E382-R386 PolarHBondContact O-N 3.39Å; A383-R386 PolarHBondContact O-N 3.06Å; L384-R386 PolarHBondContact O-N 3.21Å; R386-E388 VanDerWaalsContact C-N 3.32Å; R386-E388 PolarHBondContact O-N 3.34Å; R386-A389 PolarHBondContact O-N 2.79Å; R386-E390 PolarHBondContact O-N 3.29Å
387L49Very low42Very low109 Ų109112.4 Ų112.457%0.57162%0.621SS**Hα-helixtrans-64-37.7173.6-76.3158.5000111.9A383 L384 T391A383-L387 PolarHBondContact O-N 3.12Å; L384-L387 PolarHBondContact O-N 3.27Å; L384-L387 VanDerWaalsContact O-N 3.12Å; L387-T391 PolarHBondContact O-N 3.03Å; L387-T391 PolarHBondContact O-OG1 2.97Å
388E48.8Very low41.5Very low106 Ų106119 Ų11950%0.49563%0.634SS.*Hα-helixtrans-68.4-34.5172.6-68.7169.116500112.3L384 R386 T391L384-E388 WeakPolarHBondContact O-CG 3.43Å; L384-E388 PolarHBondContact O-N 3.16Å; R386-E388 VanDerWaalsContact C-N 3.32Å; R386-E388 PolarHBondContact O-N 3.34Å; E388-T391 WeakPolarHBondContact O-CA 3.38Å; E388-T391 PolarHBondContact O-N 3.47Å
389A51.2Low41.1Very low70 Ų70117.1 Ų117.158%0.57963%0.631SS**Hα-helixtrans-73.8-35.8176.300000113.4K385 R386 T391K385-A389 WeakPolarHBondContact O-CB 3.13Å; K385-A389 PolarHBondContact O-N 2.84Å; R386-A389 PolarHBondContact O-N 2.79Å; A389-T391 PolarHBondContact O-N 3.19Å
390E45.4Very low40.6Very low161 Ų161117.1 Ų117.175%0.75265%0.646SS**Hα-helixtrans-74.6-13.1170-67.6176.7178.800112.1R386R386-E390 PolarHBondContact O-N 3.29Å
391T37.8Very low39.8Very low111 Ų111119 Ų11968%0.68166%0.661SS**Hα-helixtrans-55.8-43.8170.176.60000118.5L387 E388 A389 P393L387-T391 PolarHBondContact O-N 3.03Å; L387-T391 PolarHBondContact O-OG1 2.97Å; E388-T391 WeakPolarHBondContact O-CA 3.38Å; E388-T391 PolarHBondContact O-N 3.47Å; A389-T391 PolarHBondContact O-N 3.19Å; T391-P393 WeakPolarHBondContact O-CD 3.47Å
392V33.6Very low39Very low107 Ų107121.2 Ų121.265%0.64867%0.673SS**SBendtrans-91.4119.2-161.6175.70000109.6S394V392-S394 PolarHBondContact O-N 3.31Å
393P33.5Very low38.1Very low112 Ų112123.6 Ų123.673%0.72768%0.683SS**PPolyproline II helixtrans-63.7122.9165.9-13.128.1000108.1T391T391-P393 WeakPolarHBondContact O-CD 3.47Å
394S31.5Very low37.2Very low107 Ų107130.6 Ų130.675%0.74871%0.71SS**PPolyproline II helixtrans-57130.7169.441.50000109V392V392-S394 PolarHBondContact O-N 3.31Å
395P32.5Very low36.3Very low105 Ų105130.3 Ų130.368%0.68272%0.72SS**PPolyproline II helixtrans-62.6146.2178.127.1-34.2000109.2E397P395-E397 PolarHBondContact O-N 2.8Å
396P30.2Very low35.2Very low120 Ų120131.5 Ų131.578%0.77973%0.725SS**  trans-68.2106.5179.627.7-33.6000109.6R398P396-R398 VanDerWaalsContact C-N 3.32Å; P396-R398 PolarHBondContact O-N 2.98Å
397E28.6Very low34.1Very low196 Ų196129.5 Ų129.592%0.91672%0.724SS**  trans-62.294.1167.5-69.3-169.4140.100109P395P395-E397 PolarHBondContact O-N 2.8Å
398R28.8Very low33.1Very low233 Ų233132.7 Ų132.788%0.87974%0.735SS**PPolyproline II helixtrans-78.3146.7167.4-93.4-167172.2-168-0.8110.1P396P396-R398 VanDerWaalsContact C-N 3.32Å; P396-R398 PolarHBondContact O-N 2.98Å
399P30.1Very low32Very low117 Ų117134.9 Ų134.976%0.7675%0.746SS**PPolyproline II helixtrans-90163.2-150.735.6-38.1000113.5
400A29.9Very low30.9Very low99 Ų99139.8 Ų139.882%0.81875%0.754SS**PPolyproline II helixtrans-65.5130.9156.700000110
401S28.4Very low30Very low104 Ų104135.6 Ų135.673%0.72775%0.754SS**PPolyproline II helixtrans-65.2173164.3460000110.5
402V29.2Very low29.4Very low129 Ų129136.9 Ų136.978%0.78276%0.761SS**  cis-150.9167.832.5-133.10000107.2
403E30.1Very low29.1Very low168 Ų168137.3 Ų137.379%0.78576%0.764SS**  cis-146.6157.232.9-66.3180133.600113.1
404E29.7Very low28.7Very low182 Ų182138.8 Ų138.885%0.8576%0.764SS**  trans39.7139.3144.8-63-171.7168.500122.8
405A29.8Very low28.7Very low77 Ų77139.1 Ų139.164%0.63676%0.764SS**  cis-164.6168-7.600000111.7
406K29.2Very low28.3Very low165 Ų165139.7 Ų139.772%0.71777%0.765SS**  trans30144.7143.4-65.8168.9157.4-79.40121
407E29.1Very low28.1Very low142 Ų142140.3 Ų140.366%0.66476%0.762SS**  cis-164.7163.31.9-115.9154.7179.800111.7
408E28.4Very low28Very low175 Ų175140 Ų14082%0.81876%0.757SS**  trans28.3111.6159.3-56.9-165.6147.300124.8
409E25.1Very low27.9Very low153 Ų153133.8 Ų133.872%0.71575%0.75SS**  15.7117.5119.7-154.2-164.7-109.800121.3
410K28.9Very low27.8Very low173 Ų173135.5 Ų135.575%0.75275%0.753SS**  162.7126.7118.4-87.1172.2-170.476.20115.9
411G26Very low27.7Very low73 Ų73136.5 Ų136.575%0.75375%0.754SS**  96.6121.412500000123.7
412V25.7Very low27.5Very low137 Ų137137.8 Ų137.883%0.8376%0.758SS**  trans82.499.6130.5-175.90000121.8
413V25.9Very low27.4Very low117 Ų117138.2 Ų138.271%0.70976%0.76SS**  66.8112.5128.3-179.80000122.6
414I25.8Very low27.4Very low143 Ų143135.1 Ų135.173%0.73376%0.755SS**  39.6132124.8-55.9171.2000118.4
415P31.9Very low27Very low114 Ų114133.9 Ų133.974%0.7475%0.752SS**  -150154.750.522.94.4000121.9
416V24.1Very low26.8Very low117 Ų117134.9 Ų134.971%0.70975%0.754SS**  43.4136.8123.6-175.60000124
417N25.3Very low26.7Very low133 Ų133132.1 Ų132.171%0.71176%0.756SS**  trans78158.6157.3-80.7-9.6000120.6
418K26.1Very low26.3Very low188 Ų188130.4 Ų130.482%0.81777%0.766SS**  cis177.7123.2-41.2-116.6-168.2-173.1178.20110.5
419S27.7Very low26.1Very low104 Ų104126.3 Ų126.373%0.72776%0.762SS**  trans166144.3162.149.40000108.6
420D27.2Very low26Very low153 Ų153125.2 Ų125.282%0.81877%0.768SS**  cis-150.4153-13.2-87-33.3000105.7
421S28.3Very low25.8Very low119 Ų119123.9 Ų123.983%0.83277%0.774SS**  -163.914878.455.80000113.7
422T24.3Very low25.5Very low132 Ų132127.2 Ų127.281%0.8177%0.774SS**  trans-111.5146.1172.248.10000110.8
423V26.8Very low25.2Very low137 Ų137129.2 Ų129.283%0.8377%0.772SS**  178.1147.1124.7146.40000110.1
424P29.5Very low24.9Very low104 Ų104129 Ų12968%0.67578%0.776SS**  trans-130.8-160.6-160.430.8-5.9000114.8
425I22Very low24.6Very low155 Ų155131.9 Ų131.980%0.79578%0.783SS**  trans89.9115160.4-51.7160000116.8
426S26.4Very low24.3Very low98 Ų98131.3 Ų131.369%0.68579%0.788SS**  -179.7139.8102.4-163.50000116
427S25.3Very low24.1Very low108 Ų108131.4 Ų131.476%0.75579%0.789SS**  trans43.4120.9144.462.20000123.2
428A21.7Very low24.2Very low105 Ų105135 Ų13587%0.86880%0.798SS**  trans-50.9153.616100000118
429A23.4Very low24.1Very low89 Ų89133 Ų13374%0.73680%0.796SS**  trans-158.1148.3141.200000109.9
430P24.2Very low24Very low130 Ų130134.8 Ų134.884%0.84480%0.802SS**  trans-84.8154.3-179.634.4-35.1000112.8
431V24.3Very low23.9Very low146 Ų146136.2 Ų136.289%0.88580%0.804SS**  trans-116.6140.5175.5-179.40000110.6
432L19.2Very low24.6Very low142 Ų142136 Ų13674%0.74380%0.8SS**  trans-132.9141.6-175.6-162.674.6000109.7
433F19.9Very low24.9Very low180 Ų180135.5 Ų135.579%0.78980%0.799SS**  trans75126.9167.9-70.4-60.4000122.5
434S19.1Very low24.8Very low112 Ų112133.8 Ų133.878%0.78379%0.793SS**  trans76.1159.9131.174.50000121.6
435F20.8Very low24.7Very low203 Ų203135.4 Ų135.489%0.8980%0.801SS**  trans-105.5157.7-161.5-74.2-95.7000113.3
436A23.9Very low24.9Very low102 Ų102135.1 Ų135.184%0.84380%0.801SS**  trans-124.3141.1152.400000109.4
437V21.4Very low24.8Very low119 Ų119139.9 Ų139.972%0.72181%0.809SS**  trans-99.3141.8-175.9175.10000110.9
438K26.9Very low24.7Very low210 Ų210139.9 Ų139.991%0.91381%0.809SS**  trans-137.6135.9150.5-85.7-165.1173.8-178.70111.3
439N23.1Very low24.7Very low145 Ų145142.4 Ų142.478%0.77581%0.805SS**  trans-84.8145.6-179.2-52.8-28.1000111.4
440V26Very low24.9Very low141 Ų141143 Ų14386%0.85581%0.81SS**  trans-147140.8132.5-178.40000107.5
441Q25.5Very low24.9Very low183 Ų183141.7 Ų141.786%0.85579%0.793SS**  trans-115.3146.7166.7-110.1-169.3-8.700110.5
442P43.7Very low25.1Very low114 Ų114139.9 Ų139.974%0.7478%0.783SS**  trans-104.8170.4178.340.8-35.1000113.4
443P29.4Very low25.3Very low122 Ų122141.1 Ų141.179%0.79279%0.789SS**  trans-137.3166.9137.637-24.1000111.9
444S24.5Very low25.6Very low102 Ų102136.1 Ų136.171%0.71378%0.781SS**  cis-174.4142.1-19.851.80000109.7
445T28Very low25.8Very low137 Ų137137.4 Ų137.484%0.8478%0.775SS**  trans-173.4121.2146.410.40000114.9
446L26.4Very low26Very low150 Ų150132.5 Ų132.579%0.78577%0.771SS**  trans27.1120.2141.9-55.7173.6000122.7
447F23.8Very low26Very low198 Ų198133.5 Ų133.587%0.86877%0.767SS**  trans15.3129.9140.7-59-90.1000119.5
448S24.1Very low26.2Very low108 Ų108133 Ų13376%0.75577%0.767SS**  -166.5150.366.1-166.70000115.3
449M22Very low25.9Very low158 Ų158130.7 Ų130.778%0.77876%0.764SS**  trans28.4113.3161.5-67.8-170.5168.200122.4
450A26.1Very low26Very low101 Ų101130 Ų13084%0.83577%0.765SS**  trans-148.9162.7140.400000109.6
451Q25Very low25.9Very low103 Ų103130.6 Ų130.648%0.48176%0.763SS.*  trans-135.1-176.4-172.7-56.6-178.9-40.700111.3N24N24-Q451 PolarHBondContact O-OE1 2.98Å
452P27.7Very low25.8Very low107 Ų107131.6 Ų131.670%0.69576%0.764SS**  -121.4136.7-78.334.7-21000112.3
453I23.8Very low25Very low169 Ų169129.5 Ų129.587%0.86776%0.763SS**  trans-137.2132.5176.1-62.7-178.1000111
454A25.3Very low24.9Very low74 Ų74130 Ų13061%0.61276%0.764SS**  trans65.6131.2162.100000120.7
455Q24.2Very low24.9Very low140 Ų140130 Ų13065%0.65476%0.764SS**  29.2111.9128.9-58.2159.3-38.800119Q148Q148-Q455 PolarHBondContact O-NE2 3.44Å
456A25.9Very low24.9Very low99 Ų99128.7 Ų128.782%0.81876%0.758SS**  -165.3141127.400000111.6
457T22.1Very low24.9Very low123 Ų123127.8 Ų127.876%0.75576%0.758SS**  trans-76.8157154.745.10000109.8
458P26.1Very low25Very low110 Ų110124.6 Ų124.671%0.71476%0.755SS**  trans-136107.3133.733.4-21000112.2V460P458-V460 HydrophobicContact CB-CG2 4.46Å
459N22Very low25.1Very low160 Ų160125.7 Ų125.786%0.85676%0.76SS**  trans-89.2115.7141.7-85-19.6000106.3
460V25.3Very low25.4Very low131 Ų131127 Ų12779%0.79476%0.764SS**  trans-126.7135.1165.51800000107.2P458P458-V460 HydrophobicContact CB-CG2 4.46Å
461L23.3Very low25.4Very low154 Ų154127.9 Ų127.981%0.80676%0.762SS**  trans-78154.7-165.1-73.862.9000112.4
462F24Very low25.4Very low204 Ų204130.2 Ų130.290%0.89578%0.776SS**  trans-57.4138.8149.6-61.2-91.7000108.2
463G25.6Very low25.3Very low69 Ų69130.6 Ų130.671%0.71178%0.776SS**  102.515554.500000108.1
464V27Very low25.1Very low133 Ų133131.6 Ų131.681%0.80678%0.775SS**  cis-144175.1-3.4-154.40000106.1
465S24.6Very low25.1Very low103 Ų103132.7 Ų132.772%0.7278%0.778SS**  147.2164.588.9-115.10000109
466P29.1Very low25Very low109 Ų109135.5 Ų135.571%0.70879%0.788SS**  cis-140.3154.6-43.534.3-16.5000114
467T25.9Very low25Very low130 Ų130135 Ų13580%0.79879%0.785SS**SBendtrans-146.8131.4153.146.70000111.1
468T26.8Very low25.3Very low131 Ų131135.9 Ų135.980%0.80478%0.783SS**  trans47103.915954.30000118.9
469P26.4Very low25.4Very low132 Ų132136.3 Ų136.386%0.85779%0.786SS**  trans-90134.8167.234.6-30.3000112.5
470E28.1Very low25.5Very low185 Ų185137.7 Ų137.786%0.86479%0.787SS**  trans-101.3147.5159.2-73.5-167.615100110.3I472E470-I472 PolarHBondContact O-N 3.19Å
471P25.7Very low25.7Very low120 Ų120135.9 Ų135.978%0.77979%0.786SS**  trans-80.6114-172.930.9-34.2000112.7T473P471-T473 PolarHBondContact O-N 3.04Å
472I25.4Very low25.9Very low152 Ų152133.4 Ų133.478%0.77978%0.781SS**  trans-79103.8166-60.6179.7000108.9E470 F474E470-I472 PolarHBondContact O-N 3.19Å; I472-F474 PolarHBondContact O-N 3.49Å
473T23.8Very low26Very low115 Ų115130.4 Ų130.471%0.70678%0.779SS**  trans-66.7116.4-179.9-52.70000112.1P471 S475P471-T473 PolarHBondContact O-N 3.04Å; T473-S475 PolarHBondContact O-N 3.35Å; T473-S475 VanDerWaalsContact O-N 3.1Å
474F21.7Very low26.2Very low189 Ų189132.8 Ų132.883%0.82978%0.78SS**  trans-77.189.3166.8-83-87.7000110.7I472 F476I472-F474 PolarHBondContact O-N 3.49Å; F474-F476 PolarHBondContact O-N 2.97Å
475S24.4Very low26.4Very low98 Ų98131.4 Ų131.469%0.68577%0.774SS**  trans-81.1108.8171.947.20000111.4T473 A477T473-S475 PolarHBondContact O-N 3.35Å; T473-S475 VanDerWaalsContact O-N 3.1Å; S475-A477 PolarHBondContact O-N 3.23Å
476F22.6Very low26.4Very low198 Ų198135.8 Ų135.887%0.86878%0.78SS**  trans-7181164.8-88.2-87.6000110.1F474 I478F474-F476 PolarHBondContact O-N 2.97Å; F476-I478 VanDerWaalsContact C-N 3.33Å; F476-I478 PolarHBondContact O-N 3.07Å
477A25.7Very low26.4Very low90 Ų90136.7 Ų136.774%0.74479%0.786SS**  trans-71.286.8171.800000110.3S475 P479S475-A477 PolarHBondContact O-N 3.23Å; A477-P479 WeakPolarHBondContact O-CD 3.45Å
478I27.6Very low26.6Very low141 Ų141136 Ų13672%0.72378%0.782SS**  trans-56.7128.2163.3-63170.4000107.5F476 Q480F476-I478 VanDerWaalsContact C-N 3.33Å; F476-I478 PolarHBondContact O-N 3.07Å; I478-Q480 PolarHBondContact O-N 2.81Å
479P28Very low26.5Very low118 Ų118138.8 Ų138.877%0.76679%0.785SS**  trans-61.1107.2171.5-21.633.3000109.5A477 A481A477-P479 WeakPolarHBondContact O-CD 3.45Å; P479-A481 PolarHBondContact O-N 2.96Å
480Q25Very low26.6Very low190 Ų190137.7 Ų137.789%0.88879%0.787SS**  trans-67.1101.3171.5-73.4-172-12.500108.3I478 S482I478-Q480 PolarHBondContact O-N 2.81Å; Q480-S482 PolarHBondContact O-N 3.39Å
481A28.4Very low26.5Very low93 Ų93138.5 Ų138.577%0.76978%0.783SS**  trans-56.7128.5165.300000108.3P479 V483P479-A481 PolarHBondContact O-N 2.96Å; A481-V483 PolarHBondContact O-N 2.87Å
482S28.3Very low26.7Very low101 Ų101140.6 Ų140.671%0.70679%0.786SS**  trans-56127.2-170.952.10000112.3Q480 V484Q480-S482 PolarHBondContact O-N 3.39Å; S482-V484 PolarHBondContact O-N 3.23Å
483V26.5Very low26.8Very low141 Ų141139.4 Ų139.486%0.85578%0.778SS**  trans-65.1100.5169.4177.90000108.8A481A481-V483 PolarHBondContact O-N 2.87Å
484V29.4Very low27Very low119 Ų119142.8 Ų142.872%0.72179%0.786SS**PPolyproline II helixtrans-77.5125.2165.4-179.70000107.4S482S482-V484 PolarHBondContact O-N 3.23Å
485P30.1Very low27.3Very low105 Ų105142.6 Ų142.668%0.68279%0.787SS**PPolyproline II helixtrans-70.4141.6-174.827.9-34.7000111.9P487P485-P487 WeakPolarHBondContact O-CD 3.45Å
486K26.4Very low27.2Very low194 Ų194147 Ų14784%0.84379%0.794SS**PPolyproline II helixtrans-63.2128.9163.8-83-176.6170.6-176.80109.8
487P28.9Very low27.7Very low129 Ų129143 Ų14384%0.83879%0.788SS**PPolyproline II helixtrans-74143.8154.9-7.325.5000109.4P485P485-P487 WeakPolarHBondContact O-CD 3.45Å
488T29.3Very low27.7Very low116 Ų116143.3 Ų143.371%0.71279%0.785SS**  trans-112.5123.4177.9-54.30000110.1
489E25.6Very low27.7Very low188 Ų188144.7 Ų144.788%0.87979%0.792SS**  trans44.4116.9154.6-60.4176.7163.600120.7
490A28.9Very low27.7Very low109 Ų109144.1 Ų144.190%0.90179%0.791SS**  trans-138.993.515600000110.7
491R25.8Very low27.5Very low202 Ų202144.9 Ų144.976%0.76279%0.792SS**  trans-49.8140.5178.2170.2-172.9-176.5173.5-0.4117.2E493R491-E493 HydrophobicContact CG-CG 4.02Å; R491-E493 IonicContact CZ-OE1 3.55Å; R491-E493 IonicContact NE-OE1 2.68Å; R491-E493 PolarHBondContact NE-OE1 2.8Å; R491-E493 IonicContact NH2-OE1 2.68Å; R491-E493 PolarHBondContact NH2-OE1 3.05Å
492L29.6Very low27.8Very low164 Ų164145.6 Ų145.686%0.85979%0.789SS**  trans-174.3102.6147.5-94.7170.3000105
493E26.1Very low27.8Very low127 Ų127145.2 Ų145.259%0.59379%0.786SS**  82.715164.6-68.1-161.5173.800115.2R491R491-E493 HydrophobicContact CG-CG 4.02Å; R491-E493 IonicContact CZ-OE1 3.55Å; R491-E493 IonicContact NE-OE1 2.68Å; R491-E493 PolarHBondContact NE-OE1 2.8Å; R491-E493 IonicContact NH2-OE1 2.68Å; R491-E493 PolarHBondContact NH2-OE1 3.05Å
494E28.3Very low27.9Very low187 Ų187146.6 Ų146.687%0.87478%0.783SS**  trans67.6132.7-168.7-57.4177-178.200115.2
495E28.7Very low27.6Very low184 Ų184147.6 Ų147.686%0.8678%0.784SS**  cis-150.4169.2-10.1-127.8-167171.100111.2
496K23.2Very low27.5Very low192 Ų192149.8 Ų149.884%0.83579%0.785SS**  trans-154.9131.4-178.7-136-177.2-169.3178.70111.5
497P31.5Very low27.4Very low114 Ų114148.4 Ų148.474%0.7478%0.781SS**  -145.7163.5118.727.5-8.7000113.4
498S25.5Very low27.2Very low96 Ų96147.6 Ų147.667%0.67177%0.774SS**  cis139.1140.6-19.365.70000110.3
499L28.4Very low26.9Very low169 Ų169150.5 Ų150.589%0.88578%0.779SS**  trans126.9135.2171.9-73.9161.6000110.3
500S27.4Very low26.7Very low106 Ų106146.8 Ų146.874%0.74177%0.774SS**  cis-158.5152.8-12.445.40000111.3
501F21.1Very low26.6Very low206 Ų206146 Ų14690%0.90477%0.768SS**  trans-94.2-173.7176.8-85-84.6000111.7
502P35.2Very low26.6Very low108 Ų108145.9 Ų145.970%0.70177%0.772SS**  cis-132.3-164.1-7.422.83.5000115.1
503S27.2Very low26.4Very low94 Ų94146 Ų14666%0.65777%0.766SS**  trans108.6139.7148.9-68.10000117.7
504E29.5Very low26.2Very low169 Ų169147 Ų14779%0.7977%0.771SS**  cis-144.7-99.5-4.2-142.5144.1-84.600117.5
505L23.1Very low26.1Very low140 Ų140147.6 Ų147.673%0.73377%0.774SS**  trans-143166.4-153.3-96.7163.5000116.4
506H28Very low25.9Very low151 Ų151146.1 Ų146.170%0.69977%0.77SS**  trans76.789.1161.9-70.2-62.5000123.1
507E23.7Very low26.1Very low166 Ų166144.2 Ų144.278%0.77677%0.767SS**  55.3148.795-141.8180-166.300123.6
508V24.7Very low25.7Very low112 Ų112144.9 Ų144.968%0.67977%0.77SS**  trans84.992.9160.9-163.10000122.1
509Q23Very low25.9Very low177 Ų177145.9 Ų145.983%0.82777%0.772SS**  41.5132.2127.1-52.8-174.14.200125.6
510S22.9Very low25.7Very low110 Ų110143.7 Ų143.777%0.76977%0.765SS**  106.2136.512779.90000122.1
511A25.5Very low25.8Very low93 Ų93145.6 Ų145.677%0.76977%0.773SS**  trans58149.1153.200000119.4
512K27.1Very low26.1Very low198 Ų198139.6 Ų139.686%0.86176%0.761SS**  cis-157.8-177.79-137.1167.3-172.7173.20110.5
513K23.9Very low25.7Very low167 Ų167144.4 Ų144.473%0.72677%0.767SS**  trans-39.8157.9159.1-76-179.7157.4-1420113.7
514E22.7Very low25.7Very low148 Ų148148 Ų14869%0.69278%0.779SS**  cis-163.4131.17.8-125.8156.3-16500109.1
515E26.7Very low25.6Very low199 Ų199147.1 Ų147.193%0.9377%0.774SS**  trans-161.8167.5153.9-130.9172.9-164.400114.2
516I24.3Very low25.9Very low153 Ų153147.4 Ų147.479%0.78578%0.782SS**  trans-90.1111.4-162.7-57.9160000111.5
517I27.8Very low25.9Very low152 Ų152148.1 Ų148.178%0.77979%0.785SS**  trans-134.8128.1152.2-64.3-173.6000110.1
518T23Very low25.9Very low129 Ų129150.6 Ų150.679%0.79179%0.789SS**  trans-86.6115.5173.6-44.20000109.8
519T28.6Very low26.4Very low117 Ų117151 Ų15172%0.71879%0.794SS**  trans-134.4118.4169.1-46.10000111.4
520T24.7Very low26.7Very low122 Ų122148.6 Ų148.675%0.74879%0.794SS**  trans-72.2140.717146.90000111.8
521V28.7Very low26.8Very low147 Ų147152 Ų15289%0.89180%0.795SS**  trans-124.5133.7146.6-1790000106.8
522A28.2Very low26.9Very low80 Ų80158.5 Ų158.566%0.66180%0.799SS**  trans-123.8159-173.200000111
523Y26.4Very low26.9Very low209 Ų209155.9 Ų155.982%0.8280%0.795SS**  trans-12.1141.3170.6-58.3-86.3000119.6
524D27.7Very low27.1Very low170 Ų170155.4 Ų155.491%0.90980%0.8SS**  trans-93.1138.6135.3-103.3-43.9000108.6
525E27.9Very low27.3Very low150 Ų150153.7 Ų153.770%0.70181%0.805SS**  trans-106.6154.2-175.8-61.3-176.3131.900112.3
526V29.1Very low27.4Very low146 Ų146150.8 Ų150.889%0.88580%0.8SS**  trans-106.7114.6155.7178.20000107.4
527Q27.4Very low27.7Very low166 Ų166149.9 Ų149.978%0.77680%0.801SS**PPolyproline II helixtrans-78.2143.4-164.3-65.2178.7-22.400114.1
528Y24.6Very low27.9Very low217 Ų217147.7 Ų147.785%0.85180%0.8SS**PPolyproline II helixtrans-93.4140.4153.4-80.2-99.1000109.4
529P33.6Very low28.3Very low122 Ų122147.5 Ų147.579%0.79280%0.8SS**PPolyproline II helixtrans-71.8136.8172.629.4-33.4000111.3
530P30.1Very low28.3Very low126 Ų126146.7 Ų146.782%0.81881%0.806SS**PPolyproline II helixtrans-87.1166.5-172.634.7-37.1000114.3
531K25.2Very low28.4Very low181 Ų181145 Ų14579%0.78781%0.805SS**PPolyproline II helixtrans-68158.9172.4-63.3179.3176.4-177.10112.5
532R28.1Very low28.4Very low230 Ų230146.2 Ų146.287%0.86881%0.806SS**  trans-114.4137.3144.2-72.9-173178.8-175.60.1108.6
533D26Very low28.4Very low143 Ų143146 Ų14677%0.76581%0.812SS**  trans-99.1139.5159.5-64.3-56.8000107.6
534D28.1Very low28.5Very low157 Ų157144.3 Ų144.384%0.8482%0.816SS**  trans-133.7140.1165-98.7-51.3000107.4
535S26.5Very low28.7Very low112 Ų112143.6 Ų143.678%0.78381%0.81SS**  trans-145.2132.6-176.567.20000111.4
536V29.7Very low28.6Very low137 Ų137142.6 Ų142.683%0.8382%0.815SS**  trans-171.6123.4143.5137.30000111.3
537V29.8Very low28.9Very low134 Ų134141.1 Ų141.181%0.81281%0.808SS**  trans20.9131145.9-1620000121.3
538S32.2Very low29Very low107 Ų107138.4 Ų138.475%0.74881%0.814SS**  trans-73.1176.8172.8-35.50000115
539P32.7Very low29.2Very low124 Ų124131.4 Ų131.481%0.80581%0.808SS**  -153.415596.139.1-21.1000118.9
540A27.2Very low29Very low100 Ų100134.8 Ų134.883%0.82681%0.813SS**  trans50127.1142.400000123.8
541A27.2Very low28.7Very low88 Ų88134 Ų13473%0.72781%0.81SS**  154.9141.9105.600000114.8
542D28.8Very low29.1Very low172 Ų172131 Ų13192%0.9281%0.81SS**  trans49.6130.7154.8-56.7-19.9000123.7
543G29.4Very low28.9Very low76 Ų76129.3 Ų129.378%0.78481%0.809SS**  trans16296166.600000115.4
544L28.5Very low29.1Very low172 Ų172129 Ų12990%0.90181%0.812SS**  trans-57.9158.9174.2-59.2118.2000112.1
545I30.9Very low29Very low156 Ų156131.1 Ų131.180%0.881%0.813SS**  -157.5151.452.3-72.7172.7000111.2
546T25.6Very low28.8Very low129 Ų129131.3 Ų131.379%0.79182%0.815SS**  trans-120.9157.615961.60000108.8
547P35Very low28.6Very low115 Ų115129.9 Ų129.975%0.74781%0.811SS**  -158.7171.585.941.9-22.2000118.3
548A29.6Very low29Very low108 Ų108129.1 Ų129.189%0.89381%0.809SS**  trans60.4146.1155.200000119.7
549G28.6Very low28.8Very low71 Ų71131.5 Ų131.573%0.73281%0.811SS**  cis-172.4172-4.900000108.2
550E29.3Very low28.5Very low192 Ų192132.9 Ų132.990%0.89781%0.805SS**  cis-145.4-179.81.9-65.6-171.8105.700109.9
551S25.6Very low28.5Very low109 Ų109133.9 Ų133.976%0.76279%0.792SS**  trans-159.2129.6168.5-64.10000114.2
552P32.1Very low28.6Very low119 Ų119135.9 Ų135.977%0.77379%0.791SS**  trans-116.6124.1151.827.1-11.8000110.7
553K24.8Very low28.5Very low194 Ų194134 Ų13484%0.84378%0.779SS**  6898.160.3-68.7178.4176.6168.60115.4
554V28.7Very low28.4Very low138 Ų138136.3 Ų136.384%0.83678%0.778SS**  trans-160.6123.5130.3170.10000104.5
555K26.4Very low28.4Very low200 Ų200134.1 Ų134.187%0.8777%0.772SS**  cis83.2133.238.8-81.8-158.9169.8-168.50116.6
556S22.7Very low28.2Very low116 Ų116131.9 Ų131.981%0.81177%0.77SS**  trans-71.1171168.448.40000111
557S25.6Very low28Very low108 Ų108132.2 Ų132.276%0.75577%0.772SS**  cis-166.6178.139.753.40000111.9
558P38.1Very low27.6Very low117 Ų117131.5 Ų131.576%0.7678%0.776SS**  trans-103.4174.4-16840.6-35.7000115.6
559I28.5Very low27.3Very low157 Ų157132.1 Ų132.181%0.80577%0.769SS**  trans-162.7127.4156.9-110.1154.9000113.4
560K25.6Very low27.1Very low153 Ų153135.5 Ų135.567%0.66577%0.77SS**  trans32155.4139.1-58.3173.1147.7-79.80123
561E28.5Very low27Very low122 Ų122134.4 Ų134.457%0.5777%0.765SS**  cis-122.9-145-1.9-146.577-100.400109.3I563E561-I563 HydrophobicContact CG-CD1 4.46Å; E561-I563 HydrophobicContact CG-CG1 4.2Å
562D27.6Very low27Very low130 Ų130136.5 Ų136.570%0.69577%0.767SS**  cis-136141.92.9-98.4-60.2000108.8
563I27.8Very low26.6Very low131 Ų131138.5 Ų138.567%0.67277%0.768SS**  49110.288.4-44.3-175.9000112.6E561E561-I563 HydrophobicContact CG-CD1 4.46Å; E561-I563 HydrophobicContact CG-CG1 4.2Å
564V27.2Very low27Very low126 Ų126134.3 Ų134.376%0.76476%0.76SS**  -144.8125.255.1173.70000113.6
565V27.4Very low26.8Very low126 Ų126135 Ų13576%0.76476%0.759SS**  trans31.3133.3130.1-173.80000119.5
566S26.7Very low26.7Very low108 Ų108131.9 Ų131.976%0.75576%0.756SS**  cis-164.8163.5-2.849.30000113.9
567T22.8Very low26.8Very low136 Ų136133.6 Ų133.683%0.83475%0.751SS**  trans-81.3158.5167.650.80000114.4
568A26.8Very low26.7Very low101 Ų101136.8 Ų136.884%0.83575%0.754SS**  -173.6154.5128.400000111.9
569T22.6Very low26.1Very low121 Ų121136.2 Ų136.274%0.74275%0.753SS**  trans-124.1169.4169.145.60000110.9
570D24.3Very low26.2Very low142 Ų142134.4 Ų134.476%0.75975%0.751SS**  trans102.5131.7148.6-58.3-50.3000122.5
571E26.8Very low26.2Very low169 Ų169136.9 Ų136.979%0.7976%0.762SS**  trans73.1122.6148.2-72.1-169.7164.100125.6
572L26.6Very low26.1Very low153 Ų153137.3 Ų137.380%0.80177%0.773SS**  trans76.9108.8135.2-66.5166.5000122.5
573M23.7Very low26.1Very low161 Ų161140 Ų14079%0.79378%0.778SS**  trans-46.5157.6151-80.8-93.88800113.7
574P32.8Very low26Very low106 Ų106140 Ų14069%0.68878%0.784SS**  -154.4164.653.841.9-20.6000121.2
575L23.5Very low25.8Very low153 Ų153138.9 Ų138.980%0.80178%0.782SS**  trans40120.1142.8-61.4167.8000121.2
576V26.1Very low26.1Very low133 Ų133138.7 Ų138.781%0.80678%0.784SS**  175.2154.4106.61550000111.6
577Q23.7Very low25.9Very low152 Ų152144.4 Ų144.471%0.7179%0.789SS**  trans-28.8157.4-179-74.2160.2-111.400123.4
578E24.6Very low26.1Very low175 Ų175145.9 Ų145.982%0.81878%0.783SS**  trans94.1151.4138-90.5165.2-119.400122.7
579S24.9Very low26Very low106 Ų106147 Ų14774%0.74177%0.771SS**  trans-146.3137.2-164.163.90000112.7
580P30.3Very low26.1Very low119 Ų119147.6 Ų147.677%0.77377%0.77SS**  trans-125.3135.7157.433-19.3000111.6
581K25.2Very low26.1Very low204 Ų204146.8 Ų146.889%0.88777%0.77SS**  74.1102.553.3-77.2-171.2172.41760115.9
582V27.2Very low26.1Very low132 Ų132145 Ų14580%0.877%0.77SS**  trans-151.3129158.3171.50000105.6
583K26.5Very low26Very low186 Ų186143.9 Ų143.981%0.80977%0.77SS**  cis-142-171.3-15.4-96.5167.5-173.8174.60105.1
584T26.6Very low26.4Very low131 Ų131141.4 Ų141.480%0.80477%0.766SS**  cis-146-147.914.6-34.20000109.4
585S23.4Very low26.1Very low103 Ų103142.9 Ų142.972%0.7277%0.773SS**  trans-163.8-171.1-178.563.60000108
586P33.1Very low26.2Very low122 Ų122139.2 Ų139.279%0.79276%0.764SS**  cis-138.9-163.77.341-18.9000116.7
587R22.2Very low26.2Very low227 Ų227138.3 Ų138.386%0.85776%0.759SS**  trans-110.4165.5177.1-62.1171.1167.1175.8-6.3112.4
588K26.9Very low26.4Very low167 Ų167138 Ų13873%0.72676%0.763SS**  173.4138.4129.1-95.9179.4173-79.60110
589E24.3Very low26.3Very low124 Ų124137.5 Ų137.558%0.57976%0.76SS**  63.7135.180.4-63.6160.6-14100112.3
590D25.8Very low26.4Very low134 Ų134139.8 Ų139.872%0.71776%0.763SS**  cis-166.9159.815.6-120.6-12.5000116.5
591V24.6Very low25.9Very low125 Ų125141.9 Ų141.976%0.75877%0.765SS**  trans75.4149138.8169.70000125.5
592V26.6Very low26.4Very low132 Ų132136.7 Ų136.780%0.875%0.752SS**  trans110.1131.7165.8-168.70000117.8
593V24.6Very low26.1Very low130 Ų130137.8 Ų137.879%0.78875%0.753SS**  trans-141.5146.2-179.2-157.90000110.2
594P31.3Very low25.9Very low109 Ų109134.4 Ų134.471%0.70875%0.747SS**  -142.4164.1113.338-25.3000112
595T25.7Very low25.8Very low136 Ų136136.4 Ų136.483%0.83475%0.747SS**  cis-158.8-167.4-11.925.70000105.7
596A27.3Very low25.9Very low76 Ų76141 Ų14163%0.62876%0.757SS**  cis-157.9165.31300000112.8
597T26.2Very low25.6Very low114 Ų114140.1 Ų140.170%0.69975%0.754SS**  trans13.5146143.862.60000122.4
598D26.5Very low26.1Very low146 Ų146134.7 Ų134.778%0.78175%0.748SS**  cis-164.2175.8-7.4-103-18.5000113.1
599E24Very low26.1Very low164 Ų164136 Ų13677%0.76675%0.754SS**  trans-69.1174-164.1-49.9-177121.300121.5
600L25.7Very low26.2Very low154 Ų154136.2 Ų136.281%0.80676%0.764SS**  trans92.4170.4137-87.2164.3000123.2
601M19.8Very low26.2Very low164 Ų164135.2 Ų135.281%0.80876%0.762SS**  trans-133.7-179.1-159.8-88.6-111.6-167.200108.8
602P36Very low26.4Very low95 Ų95135.2 Ų135.262%0.61776%0.762SS**  cis-141.1-163.9-34.538-17.7000114.1
603L21.6Very low26.5Very low155 Ų155133.2 Ų133.281%0.81275%0.754SS**  trans77.4123.4151-69.7170.4000122.9
604V22.2Very low26.6Very low114 Ų114134.7 Ų134.769%0.69176%0.757SS**  91.4119.6128.4167.60000122.8
605H23.2Very low26.3Very low174 Ų174134.7 Ų134.781%0.80676%0.759SS**  trans29.2135.7151-62.6-52.1000124.2
606E25.6Very low26.4Very low198 Ų198131.3 Ų131.393%0.92575%0.751SS**  -153.2163.5110.8-125.3-178.7-149.400113
607S27.2Very low26.4Very low104 Ų104136.6 Ų136.673%0.72776%0.763SS**  trans-166.6147.7178.366.40000111.7
608P33.2Very low26.3Very low114 Ų114137.2 Ų137.274%0.7476%0.762SS**  trans-151.1168.8152.837.9-20.5000118.5
609K27.5Very low26.2Very low195 Ų195135.3 Ų135.385%0.84876%0.756SS**  trans91.1135.3166.3-55.2179.2-176.8177.90115.7
610V26.4Very low26Very low128 Ų128133.8 Ų133.878%0.77676%0.758SS**  cis-169.5151.9-1.41200000107.4
611V25.7Very low25.8Very low113 Ų113132 Ų13269%0.68575%0.753SS**  cis-169.7166.7-26.173.80000109.3
612T27.7Very low26Very low125 Ų125128.8 Ų128.877%0.76775%0.746SS**  trans65.4143.8167.445.30000119.6
613S28.4Very low25.3Very low89 Ų89129.3 Ų129.362%0.62275%0.748SS**  cis-170144.8-3.443.60000114.3
614L28.2Very low25.4Very low162 Ų162129.8 Ų129.885%0.84875%0.746SS**  trans61.6158.4143.8-64.7167.6000119
615S25.1Very low25.4Very low109 Ų109129.4 Ų129.476%0.76274%0.744SS**  cis176.5150.1-28.453.10000106
616G27.6Very low25.4Very low64 Ų64128 Ų12866%0.6674%0.742SS**  cis176.2-178.6-0.900000108.4
617E26.7Very low25.2Very low188 Ų188126.9 Ų126.988%0.87974%0.737SS**  trans59.9139.9153.6-67.5168.7-160.700120.3
618D24.9Very low25Very low127 Ų127128.6 Ų128.668%0.67974%0.738SS**  cis-160.3166.9-15.7-137.4-36.2000114.3
619T23Very low24.5Very low106 Ų106128.3 Ų128.365%0.6573%0.734SS**  trans8.6126.9151.635.10000122.2
620V21.4Very low24.4Very low132 Ų132126.2 Ų126.280%0.873%0.73SS**  80.913593.4152.90000114.4
621V21.6Very low24.4Very low117 Ų117127.5 Ų127.571%0.70973%0.727SS**  cis-168.6162.1-3.194.10000112.8
622S22.1Very low24.4Very low96 Ų96127.9 Ų127.967%0.67173%0.73SS**  trans61.4151.5157.767.10000120.9
623T22.9Very low24.3Very low106 Ų106131.6 Ų131.665%0.6574%0.735SS**  cis-160.7161.7-10.112.20000111.2
624E23.3Very low24.1Very low165 Ų165130.8 Ų130.877%0.77173%0.734SS**  trans67.2147.4148.8-71.6156.5-149.500119.1
625T22.6Very low24Very low106 Ų106131.2 Ų131.265%0.6573%0.729SS**  cis-145.6156.22.2-3.90000113.1
626D21.6Very low24.1Very low144 Ų144135.5 Ų135.577%0.7773%0.734SS**  trans68.3141.3145-61-28.6000126.9
627E21.5Very low24Very low174 Ų174140.3 Ų140.381%0.81374%0.737SS**  trans81.5149.6148.9-86.6-155.417400125.9
628L24.8Very low23.8Very low141 Ų141139.2 Ų139.274%0.73873%0.734SS**  trans51.9119.7-177.9-77.976.5000118.9
629V22.2Very low23.9Very low108 Ų108141.3 Ų141.366%0.65574%0.737SS**  cis94.3135.938.9175.40000114.5H631V629-H631 VanDerWaalsContact C-N 3.34Å; V629-H631 PolarHBondContact O-N 2.88Å
630I24.8Very low23.9Very low150 Ų150141.7 Ų141.777%0.76975%0.745SS**  trans65.7-25.6165.1-78.5165.1000120V632I630-V632 PolarHBondContact O-N 3.17Å
631H25.7Very low24.1Very low155 Ų155142.2 Ų142.272%0.71874%0.742SS**THydrogen-bonded Turntrans-82.62.4-160.8-106.881.9000120V629V629-H631 VanDerWaalsContact C-N 3.34Å; V629-H631 PolarHBondContact O-N 2.88Å
632V26.9Very low24.3Very low122 Ų122146 Ų14674%0.73975%0.749SS**THydrogen-bonded Turntrans-89.7-47.2-172.7178.90000114I630 A634 K635I630-V632 PolarHBondContact O-N 3.17Å; V632-A634 PolarHBondContact O-N 3.41Å; V632-K635 VanDerWaalsContact O-CB 3.25Å; V632-K635 WeakPolarHBondContact O-CB 3.48Å; V632-K635 PolarHBondContact O-N 3.38Å
633F24.9Very low24.5Very low202 Ų202147.1 Ų147.189%0.88675%0.747SS**G310 helixtrans-72.4-26.8-172.4-116.4-92000114K635F633-K635 PolarHBondContact O-N 3.2Å
634A24Very low24.6Very low72 Ų72152 Ų15260%0.59575%0.754SS**G310 helixtrans-65.4-19.4174.100000113.4V632 F636V632-A634 PolarHBondContact O-N 3.41Å; A634-F636 PolarHBondContact O-N 2.99Å
635K27.4Very low24.8Very low172 Ų172155.9 Ų155.975%0.74876%0.761SS**G310 helixtrans-77.9-16-170-152.4166.4-174.4171.20114V632 F633V632-K635 VanDerWaalsContact O-CB 3.25Å; V632-K635 WeakPolarHBondContact O-CB 3.48Å; V632-K635 PolarHBondContact O-N 3.38Å; F633-K635 PolarHBondContact O-N 3.2Å
636F25.9Very low24.9Very low199 Ų199155.7 Ų155.787%0.87376%0.76SS**G310 helixtrans-83.5-22.6-175.5-152.9-95.3000114.1A634A634-F636 PolarHBondContact O-N 2.99Å
637F25.2Very low25.2Very low165 Ų165154.6 Ų154.672%0.72476%0.758SS**SBendtrans-96.5-10.2-175.1-148-97000114.3
638M24Very low25.5Very low165 Ų165153.4 Ų153.481%0.81375%0.753SS**SBendtrans-109.133.3-170.7-81.9-69.3-70.500114.1
639K26Very low25.7Very low170 Ų170155.2 Ų155.274%0.73976%0.755SS**  trans-14728.7179.5-136.2171.9-175.4178.80117.7
640S23.9Very low25.9Very low115 Ų115158.8 Ų158.880%0.80476%0.764SS**SBendtrans-110.635.5172.5530000114.1
641L24.7Very low26.5Very low142 Ų142156.3 Ų156.374%0.74376%0.758SS**SBendtrans-142.2117.5159.2-98.9174.2000111.1
642F25.6Very low26.7Very low196 Ų196156.2 Ų156.286%0.8676%0.763SS**  trans42.5111.4165.3-89-96.7000120.2
643L26.2Very low26.6Very low121 Ų121159.4 Ų159.463%0.63477%0.767SS**  trans-103115.4155.9-137.191.2000110.4
644R25.9Very low26.6Very low209 Ų209156.1 Ų156.179%0.78976%0.763SS**  trans55.3106.8148.5-68.9177.8177.9-176.5-2.1120.3T646R644-T646 HydrophobicContact CB-CG2 4.13Å
645R26.7Very low26.8Very low246 Ų246163.9 Ų163.993%0.92878%0.777SS**  -117.6119106-73.9-179.3174.5175.4-3.1106
646T25.2Very low26.6Very low102 Ų102164.1 Ų164.163%0.62678%0.78SS**  cis85.3124.948.262.70000114.5R644R644-T646 HydrophobicContact CB-CG2 4.13Å
647V28.6Very low26.9Very low121 Ų121159 Ų15973%0.73377%0.767SS**  trans85.3106.9164.4-178.10000117.8
648E27Very low27Very low149 Ų149158.8 Ų158.870%0.69677%0.773SS**  trans61.7149.5145.8-66175.4-164.500120.7
649K28.1Very low27Very low178 Ų178154.2 Ų154.277%0.77476%0.761SS**  cis-145.7169.54-125.4150.2-174.21510110.6
650Q28.1Very low27.2Very low183 Ų183152.2 Ų152.286%0.85576%0.763SS**  trans-91.2-170.7176.4-63.7-170.7-19.200111.9
651P37.4Very low27.3Very low98 Ų98151.9 Ų151.964%0.63676%0.756SS**  -128.6177.7-7340-24.8000112.2
652D28.3Very low27.6Very low154 Ų154150.7 Ų150.782%0.82476%0.76SS**  175.7-177.2111.4-110-41.8000113.3
653K25.2Very low27.5Very low189 Ų189149.5 Ų149.582%0.82276%0.757SS**  trans-107.3165.7-166.7-60.9175.8179.3173.50115.3
654V25.4Very low27.6Very low132 Ų132150.4 Ų150.480%0.877%0.767SS**  trans93.6137.7155.1-173.20000117.9
655R27.1Very low27.7Very low236 Ų236145.8 Ų145.889%0.89177%0.767SS**  trans80.388.8165.3-89.4171.9-179.1170.40.2120.7
656E23.2Very low27.5Very low177 Ų177140.1 Ų140.183%0.82776%0.764SS**  -51.8177.1125.9-107.1-177.5-158.200113.5
657P33.2Very low27.6Very low90 Ų90143.2 Ų143.258%0.58477%0.774SS**  cis-139.1-172.3-8.622.93.9000115.5
658L26.3Very low27.4Very low162 Ų162141.6 Ų141.685%0.84877%0.769SS**  trans72.8150.5162.2-66.2114.8000119.9
659A25.6Very low27.3Very low68 Ų68146 Ų14656%0.56278%0.779SS**  cis-173-171.3-22.500000111.1
660T29.3Very low27.1Very low128 Ų128148.3 Ų148.379%0.78578%0.783SS**  trans82.6134160.3700000119.7
661T26.8Very low27Very low109 Ų109148 Ų14867%0.66978%0.782SS**  cis-166.7152.6-29.7140000111.3
662S30Very low26.5Very low116 Ų116151.1 Ų151.181%0.81179%0.785SS**  trans136.589.9157.8540000109.3
663E23.7Very low26.6Very low172 Ų172149.8 Ų149.880%0.80478%0.784SS**  cis61104.142.7-60.4-156139.900115.8
664V28.9Very low26.7Very low140 Ų140150.6 Ų150.685%0.84878%0.784SS**  trans-141.4124.1134.41800000109.8
665S27Very low27.2Very low111 Ų111148.6 Ų148.678%0.77677%0.768SS**  trans47.8115.3161.770.60000122
666C22.3Very low27.7Very low128 Ų128140.5 Ų140.587%0.86574%0.744SS**  trans-66.2144.6166.5-52.60000115
667I27.2Very low28.3Very low166 Ų166140.4 Ų140.485%0.85174%0.741SS**  trans-131.7146.9141.6-64.7-174.2000108
668S25.7Very low28.5Very low88 Ų88141.9 Ų141.962%0.61574%0.74SS**  trans-36129.4-166.761.80000117.4R670S668-R670 PolarHBondContact O-N 2.97Å; S668-R670 VanDerWaalsContact O-N 3.12Å
669R23.7Very low29.1Very low240 Ų240138.1 Ų138.191%0.90672%0.718SS**  trans-62109.5154.2-75.3-176.5177.5176.80.7108.7
670R25.5Very low29.7Very low228 Ų228139.2 Ų139.286%0.8672%0.715SS**  trans-85.2104160.2-78.5-174.3174.8177.4-1.5108.4S668 K672S668-R670 PolarHBondContact O-N 2.97Å; S668-R670 VanDerWaalsContact O-N 3.12Å; R670-K672 PolarHBondContact O-N 3.49Å
671E25.3Very low30.1Very low177 Ų177137.3 Ų137.383%0.82770%0.699SS**  trans-60.6133.4164.6-61.7-170.5146.100108.7P673E671-P673 WeakPolarHBondContact O-CD 3.34Å
672K25.9Very low30.6Very low163 Ų163138.5 Ų138.571%0.70969%0.691SS**  trans-80120.2175.3-67.7-179.1-179.6179.30107.2R670 Y674R670-K672 PolarHBondContact O-N 3.49Å; K672-Y674 PolarHBondContact O-N 3.11Å
673P31.4Very low30.9Very low125 Ų125137.3 Ų137.381%0.81268%0.675SS**  trans-65.4112.8175.126.8-32.8000108.7E671 I675E671-P673 WeakPolarHBondContact O-CD 3.34Å; P673-I675 PolarHBondContact O-N 3.14Å
674Y28Very low31.4Very low206 Ų206132.3 Ų132.381%0.80865%0.653SS**  trans-75.7112.4167.4-79.6-91.3000107.6K672 T676K672-Y674 PolarHBondContact O-N 3.11Å; Y674-T676 PolarHBondContact O-N 3.05Å
675I35.7Very low31.7Very low91 Ų91134 Ų13447%0.46764%0.644SS.*  trans-53.1114.8171-63.9176.8000107.7P673 E679 L680P673-I675 PolarHBondContact O-N 3.14Å; I675-E679 HydrophobicContact CG2-CB 3.79Å; I675-L680 HydrophobicContact CG2-CB 4.17Å; I675-L680 HydrophobicContact CG2-CD1 4.47Å
676T36.7Very low32Very low65 Ų65132 Ų13240%0.39963%0.629SS.*  trans-67.9161.7-178.262.10000111Y674 Q678 E679 L680Y674-T676 PolarHBondContact O-N 3.05Å; T676-Q678 PolarHBondContact O-N 2.94Å; T676-E679 VanDerWaalsContact CB-OE2 3.27Å; T676-E679 WeakPolarHBondContact CB-OE2 3.48Å; T676-E679 VanDerWaalsContact CG2-OE2 3.3Å; T676-E679 WeakPolarHBondContact CG2-OE2 3.46Å; T676-E679 PolarHBondContact N-OE2 2.88Å; T676-E679 PolarHBondContact O-N 2.98Å; T676-E679 WeakPolarHBondContact OG1-CG 3.38Å; T676-E679 PolarHBondContact OG1-N 3.45Å; T676-E679 PolarHBondContact OG1-OE2 3.49Å; T676-L680 PolarHBondContact O-N 2.65Å
677K35.6Very low32.5Very low175 Ų175130 Ų13076%0.76161%0.607SS**Hα-helixtrans-56.8-32.6173.6-174.6-178.1172.8-169.80111.9L681K677-L681 HydrophobicContact CG-CD1 4.27Å; K677-L681 WeakPolarHBondContact O-CB 3.3Å; K677-L681 WeakPolarHBondContact O-CD1 3.47Å; K677-L681 VanDerWaalsContact O-CG 3.23Å; K677-L681 WeakPolarHBondContact O-CG 3.37Å; K677-L681 PolarHBondContact O-N 3.43Å; K677-L681 VanDerWaalsContact O-N 3.14Å
678Q37.6Very low32.9Very low121 Ų121127.8 Ų127.857%0.56560%0.595SS**Hα-helixtrans-69.9-48.1175-83.1159.8-70.700112T676 L680 L681 R682T676-Q678 PolarHBondContact O-N 2.94Å; Q678-L680 VanDerWaalsContact C-N 3.34Å; Q678-L680 PolarHBondContact O-N 3.33Å; Q678-L681 CarbonylContact O-C 3.6Å; Q678-L681 PolarHBondContact O-N 2.93Å; Q678-L681 VanDerWaalsContact O-N 3.1Å; Q678-R682 PolarHBondContact O-N 3.46Å
679E40.3Very low33.3Very low83 Ų83127.8 Ų127.839%0.38859%0.587SS.*Hα-helixtrans-62.2-40.6177.5-70.5161111.400112.2I675 T676 L681 R682 L683I675-E679 HydrophobicContact CG2-CB 3.79Å; T676-E679 VanDerWaalsContact CB-OE2 3.27Å; T676-E679 WeakPolarHBondContact CB-OE2 3.48Å; T676-E679 VanDerWaalsContact CG2-OE2 3.3Å; T676-E679 WeakPolarHBondContact CG2-OE2 3.46Å; T676-E679 PolarHBondContact N-OE2 2.88Å; T676-E679 PolarHBondContact O-N 2.98Å; T676-E679 WeakPolarHBondContact OG1-CG 3.38Å; T676-E679 PolarHBondContact OG1-N 3.45Å; T676-E679 PolarHBondContact OG1-OE2 3.49Å; E679-L681 VanDerWaalsContact C-N 3.29Å; E679-L681 PolarHBondContact O-N 3.05Å; E679-R682 PolarHBondContact O-N 2.85Å; E679-L683 WeakPolarHBondContact O-CG 3.41Å; E679-L683 PolarHBondContact O-N 3.22Å
680L36.2Very low33.8Very low92 Ų92119.7 Ų119.748%0.48256%0.562SS.*Hα-helixtrans-61.6-37.7174.1-165.572.7000111.6I675 T676 Q678 I684I675-L680 HydrophobicContact CG2-CB 4.17Å; I675-L680 HydrophobicContact CG2-CD1 4.47Å; T676-L680 PolarHBondContact O-N 2.65Å; Q678-L680 VanDerWaalsContact C-N 3.34Å; Q678-L680 PolarHBondContact O-N 3.33Å; L680-I684 HydrophobicContact CD1-CD1 4.39Å; L680-I684 HydrophobicContact CG-CD1 3.98Å; L680-I684 WeakPolarHBondContact O-CB 3.33Å; L680-I684 WeakPolarHBondContact O-CD1 3.49Å; L680-I684 VanDerWaalsContact O-CG1 3.26Å; L680-I684 WeakPolarHBondContact O-CG1 3.42Å; L680-I684 PolarHBondContact O-N 3.3Å; L680-I684 VanDerWaalsContact O-N 3.1Å
681L37.9Very low34.4Very low88 Ų88114.1 Ų114.146%0.46155%0.549SS..Hα-helixtrans-72.5-36.7174.8-75.7168.5000112.9K677 Q678 E679 L683 I684 R685K677-L681 HydrophobicContact CG-CD1 4.27Å; K677-L681 WeakPolarHBondContact O-CB 3.3Å; K677-L681 WeakPolarHBondContact O-CD1 3.47Å; K677-L681 VanDerWaalsContact O-CG 3.23Å; K677-L681 WeakPolarHBondContact O-CG 3.37Å; K677-L681 PolarHBondContact O-N 3.43Å; K677-L681 VanDerWaalsContact O-N 3.14Å; Q678-L681 CarbonylContact O-C 3.6Å; Q678-L681 PolarHBondContact O-N 2.93Å; Q678-L681 VanDerWaalsContact O-N 3.1Å; E679-L681 VanDerWaalsContact C-N 3.29Å; E679-L681 PolarHBondContact O-N 3.05Å; L681-L683 VanDerWaalsContact C-N 3.33Å; L681-I684 PolarHBondContact O-N 3.1Å; L681-R685 VanDerWaalsContact O-CB 3.31Å; L681-R685 WeakPolarHBondContact O-CB 3.49Å; L681-R685 PolarHBondContact O-N 2.99Å
682R37.7Very low34.9Very low134 Ų134110 Ų11051%0.50654%0.535SS..Hα-helixtrans-60.9-41.9171.6-71.3-172.2-171.7144.92.1110.8Q678 E679 P686 D967Q678-R682 PolarHBondContact O-N 3.46Å; E679-R682 PolarHBondContact O-N 2.85Å; R682-P686 WeakPolarHBondContact O-CD 3.23Å; R682-D967 IonicContact CZ-OD1 2.86Å; R682-D967 IonicContact CZ-OD2 3.79Å; R682-D967 IonicContact NE-OD1 3.41Å; R682-D967 PolarHBondContact NE-OD1 3.24Å; R682-D967 VanDerWaalsContact NE-OD1 3.12Å; R682-D967 IonicContact NE-OD2 3.86Å; R682-D967 IonicContact NH2-OD1 3.84Å; R682-D967 PolarHBondContact NH2-OD1 3.18Å; R682-D967 VanDerWaalsContact NH2-OD1 3.16Å; R682-D967 IonicContact NH2-OD2 3.06Å; R682-D967 PolarHBondContact NH2-OD2 3.17Å
683L36.4Very low35.2Very low91 Ų91106.1 Ų106.148%0.47652%0.522SS..Hα-helixtrans-66.9-35.1176.5-73.5166000113.6E679 L681E679-L683 WeakPolarHBondContact O-CG 3.41Å; E679-L683 PolarHBondContact O-N 3.22Å; L681-L683 VanDerWaalsContact C-N 3.33Å
684I34.3Very low35.4Very low66 Ų66104 Ų10434%0.33850%0.504SS..Hα-helixtrans-89.7-30.6-175.1-68.3170.7000112.9L680 L681 H687 M688L680-I684 HydrophobicContact CD1-CD1 4.39Å; L680-I684 HydrophobicContact CG-CD1 3.98Å; L680-I684 WeakPolarHBondContact O-CB 3.33Å; L680-I684 WeakPolarHBondContact O-CD1 3.49Å; L680-I684 VanDerWaalsContact O-CG1 3.26Å; L680-I684 WeakPolarHBondContact O-CG1 3.42Å; L680-I684 PolarHBondContact O-N 3.3Å; L680-I684 VanDerWaalsContact O-N 3.1Å; L681-I684 PolarHBondContact O-N 3.1Å; I684-H687 WeakPolarHBondContact O-CB 3.34Å; I684-H687 PolarHBondContact O-N 3.41Å; I684-M688 HydrophobicContact CG2-CE 3.88Å; I684-M688 HydrophobicContact CG2-CG 3.91Å; I684-M688 HydrophobicContact CG2-SD 3.91Å; I684-M688 PolarHBondContact O-N 3.4Å
685R35.1Very low36.1Very low175 Ų17595.9 Ų95.966%0.6648%0.477SS*.Hα-helixtrans-51.3-47.9-177.4-101-179.5168.3169.5-3.2114.1L681 H687 M688 L689L681-R685 VanDerWaalsContact O-CB 3.31Å; L681-R685 WeakPolarHBondContact O-CB 3.49Å; L681-R685 PolarHBondContact O-N 2.99Å; R685-H687 VanDerWaalsContact C-N 3.27Å; R685-H687 PolarHBondContact O-N 2.88Å; R685-M688 PolarHBondContact O-N 3.48Å; R685-L689 WeakPolarHBondContact O-CB 3.43Å; R685-L689 PolarHBondContact O-N 3.31Å
686P34.3Very low36.2Very low71 Ų7197.4 Ų97.446%0.46149%0.486SS..Hα-helixtrans-60.4-36178-25.135000112.9R682 L690R682-P686 WeakPolarHBondContact O-CD 3.23Å; P686-L690 WeakPolarHBondContact O-CB 3.02Å; P686-L690 PolarHBondContact O-N 2.95Å
687H32.4Very low36.3Very low84 Ų8499.2 Ų99.239%0.38950%0.497SS..Hα-helixtrans-71.7-37.5177.2-91.7-76000112.9I684 R685 N691I684-H687 WeakPolarHBondContact O-CB 3.34Å; I684-H687 PolarHBondContact O-N 3.41Å; R685-H687 VanDerWaalsContact C-N 3.27Å; R685-H687 PolarHBondContact O-N 2.88Å; H687-N691 WeakPolarHBondContact O-CB 3.44Å; H687-N691 PolarHBondContact O-N 2.65Å
688M34.7Very low36.4Very low121 Ų12192.8 Ų92.860%0.59647%0.472SS*.Hα-helixtrans-69.3-43.9173.5-75.2-174.4167.200111.9I684 R685 L690 N691 V692I684-M688 HydrophobicContact CG2-CE 3.88Å; I684-M688 HydrophobicContact CG2-CG 3.91Å; I684-M688 HydrophobicContact CG2-SD 3.91Å; I684-M688 PolarHBondContact O-N 3.4Å; R685-M688 PolarHBondContact O-N 3.48Å; M688-L690 VanDerWaalsContact C-N 3.32Å; M688-L690 PolarHBondContact O-N 3.32Å; M688-N691 PolarHBondContact O-N 3.5Å; M688-V692 WeakPolarHBondContact O-CG2 3.44Å; M688-V692 PolarHBondContact O-N 3.21Å
689L34.3Very low36.5Very low87 Ų8789.2 Ų89.246%0.45546%0.455SS..Hα-helixtrans-62.4-41.1176.7-166.472.1000111.3R685 V692 L693R685-L689 WeakPolarHBondContact O-CB 3.43Å; R685-L689 PolarHBondContact O-N 3.31Å; L689-V692 PolarHBondContact O-N 3.45Å; L689-L693 HydrophobicContact CG-CD1 4.22Å; L689-L693 WeakPolarHBondContact O-CB 3.49Å; L689-L693 WeakPolarHBondContact O-CG 3.03Å; L689-L693 PolarHBondContact O-N 3.45Å
690L35.2Very low36.6Very low71 Ų7188 Ų8837%0.37245%0.454SS..Hα-helixtrans-62.8-41.5174.2-168.672.6000111.8P686 M688 L693 L694P686-L690 WeakPolarHBondContact O-CB 3.02Å; P686-L690 PolarHBondContact O-N 2.95Å; M688-L690 VanDerWaalsContact C-N 3.32Å; M688-L690 PolarHBondContact O-N 3.32Å; L690-L693 PolarHBondContact O-N 2.85Å; L690-L694 HydrophobicContact CD1-CD1 4.42Å; L690-L694 HydrophobicContact CD2-CD1 4.4Å; L690-L694 HydrophobicContact CG-CD1 3.88Å; L690-L694 HydrophobicContact CG-CG 4.48Å; L690-L694 VanDerWaalsContact O-CB 3.26Å; L690-L694 WeakPolarHBondContact O-CB 3.45Å; L690-L694 WeakPolarHBondContact O-CG 3.45Å; L690-L694 PolarHBondContact O-N 2.96Å
691N36.6Very low36.8Very low110 Ų11086.8 Ų86.859%0.58845%0.453SS*.Hα-helixtrans-66.7-34.2175.9-77.7-5.7000112.9H687 M688 L694 S695H687-N691 WeakPolarHBondContact O-CB 3.44Å; H687-N691 PolarHBondContact O-N 2.65Å; M688-N691 PolarHBondContact O-N 3.5Å; N691-L694 CarbonylContact O-C 3.56Å; N691-L694 PolarHBondContact O-N 3.4Å; N691-S695 PolarHBondContact O-N 3.25Å
692V36.2Very low36.9Very low90 Ų9085.6 Ų85.655%0.54545%0.447SS..Hα-helixtrans-68-44.8173.5170.80000110.8M688 L689 L694 S695M688-V692 WeakPolarHBondContact O-CG2 3.44Å; M688-V692 PolarHBondContact O-N 3.21Å; L689-V692 PolarHBondContact O-N 3.45Å; V692-L694 PolarHBondContact O-N 3.35Å; V692-S695 WeakPolarHBondContact O-CB 3.37Å; V692-S695 PolarHBondContact O-N 3.49Å; V692-S695 VanDerWaalsContact O-N 3.16Å; V692-S695 PolarHBondContact O-OG 2.79Å
693L32.9Very low37Very low82 Ų8285.4 Ų85.443%0.42945%0.446SS..Hα-helixtrans-67.8-19.7175.8-69.7169.5000113.7L689 L690L689-L693 HydrophobicContact CG-CD1 4.22Å; L689-L693 WeakPolarHBondContact O-CB 3.49Å; L689-L693 WeakPolarHBondContact O-CG 3.03Å; L689-L693 PolarHBondContact O-N 3.45Å; L690-L693 PolarHBondContact O-N 2.85Å
694L36.3Very low37.2Very low82 Ų8287 Ų8743%0.42945%0.446SS..THydrogen-bonded Turntrans-98.18.6174.2-69174000113.6L690 N691 V692L690-L694 HydrophobicContact CD1-CD1 4.42Å; L690-L694 HydrophobicContact CD2-CD1 4.4Å; L690-L694 HydrophobicContact CG-CD1 3.88Å; L690-L694 HydrophobicContact CG-CG 4.48Å; L690-L694 VanDerWaalsContact O-CB 3.26Å; L690-L694 WeakPolarHBondContact O-CB 3.45Å; L690-L694 WeakPolarHBondContact O-CG 3.45Å; L690-L694 PolarHBondContact O-N 2.96Å; N691-L694 CarbonylContact O-C 3.56Å; N691-L694 PolarHBondContact O-N 3.4Å; V692-L694 PolarHBondContact O-N 3.35Å
695S41.3Very low37.5Very low35 Ų3588.8 Ų88.825%0.24546%0.455CS..SBendtrans-67.8144172.162.60000111.3N691 V692 T697 V698 E699N691-S695 PolarHBondContact O-N 3.25Å; V692-S695 WeakPolarHBondContact O-CB 3.37Å; V692-S695 PolarHBondContact O-N 3.49Å; V692-S695 VanDerWaalsContact O-N 3.16Å; V692-S695 PolarHBondContact O-OG 2.79Å; S695-T697 PolarHBondContact O-N 3.17Å; S695-T697 PolarHBondContact OG-OG1 2.92Å; S695-V698 PolarHBondContact O-N 3.38Å; S695-V698 VanDerWaalsContact OG-CG2 3.31Å; S695-V698 WeakPolarHBondContact OG-CG2 3.45Å; S695-V698 PolarHBondContact OG-N 2.96Å; S695-E699 PolarHBondContact O-N 3.04Å
696D39.2Very low37.5Very low122 Ų12281.8 Ų81.865%0.65243%0.434SS*.Hα-helixtrans-61.9-26.9180-74.6-62.3000112.9T700D696-T700 WeakPolarHBondContact O-CB 3.48Å; D696-T700 PolarHBondContact O-N 2.95Å; D696-T700 PolarHBondContact O-OG1 3.32Å
697T37.6Very low37.7Very low104 Ų10480.9 Ų80.964%0.63843%0.43SS*.Hα-helixtrans-65.2-45.5171.141.40000111.5S695 T700 S701S695-T697 PolarHBondContact O-N 3.17Å; S695-T697 PolarHBondContact OG-OG1 2.92Å; T697-T700 PolarHBondContact O-N 3.24Å; T697-S701 PolarHBondContact O-N 2.76Å; T697-S701 PolarHBondContact O-OG 2.69Å
698V37.5Very low38Very low40 Ų4081.2 Ų81.224%0.24244%0.438CS..Hα-helixtrans-70.3-37.7174.9176.50000111.7S695 T700 L702S695-V698 PolarHBondContact O-N 3.38Å; S695-V698 VanDerWaalsContact OG-CG2 3.31Å; S695-V698 WeakPolarHBondContact OG-CG2 3.45Å; S695-V698 PolarHBondContact OG-N 2.96Å; V698-T700 VanDerWaalsContact C-N 3.25Å; V698-T700 PolarHBondContact O-N 3.01Å; V698-L702 HydrophobicContact CG1-CD1 3.82Å; V698-L702 HydrophobicContact CG1-CG 4.24Å; V698-L702 VanDerWaalsContact O-CB 3.3Å; V698-L702 WeakPolarHBondContact O-CB 3.17Å; V698-L702 VanDerWaalsContact O-CG 3.28Å; V698-L702 WeakPolarHBondContact O-CG 3.24Å; V698-L702 PolarHBondContact O-N 2.68Å
699E39.9Very low38Very low45 Ų4579.2 Ų79.221%0.2143%0.432CS..Hα-helixtrans-60.8-37.6171.4-154.1-163.9106.500110.5S695 R703 R741 R745S695-E699 PolarHBondContact O-N 3.04Å; E699-R703 WeakPolarHBondContact O-CB 3.3Å; E699-R703 VanDerWaalsContact O-CG 3.27Å; E699-R703 WeakPolarHBondContact O-CG 3.33Å; E699-R703 PolarHBondContact O-N 3.46Å; E699-R703 IonicContact OE1-CZ 2.71Å; E699-R703 IonicContact OE1-NE 2.68Å; E699-R703 PolarHBondContact OE1-NE 3.33Å; E699-R703 IonicContact OE1-NH2 3.21Å; E699-R703 PolarHBondContact OE1-NH2 3.05Å; E699-R741 IonicContact OE1-CZ 3.69Å; E699-R741 IonicContact OE1-NE 3.41Å; E699-R741 PolarHBondContact OE1-NE 3.43Å; E699-R741 IonicContact OE1-NH2 3.3Å; E699-R741 PolarHBondContact OE1-NH2 3.08Å; E699-R741 IonicContact OE2-NE 3.55Å; E699-R745 IonicContact OE1-NH2 3.33Å; E699-R745 PolarHBondContact OE1-NH2 3.01Å; E699-R745 IonicContact OE2-CZ 3.75Å; E699-R745 IonicContact OE2-NE 3.9Å; E699-R745 IonicContact OE2-NH2 2.8Å; E699-R745 PolarHBondContact OE2-NH2 2.82Å
700T43.8Very low38Very low57 Ų5776.8 Ų76.835%0.3542%0.42SS..Hα-helixtrans-73.7-43.3-179.6-59.30000112.7D696 T697 V698 R703 R704D696-T700 WeakPolarHBondContact O-CB 3.48Å; D696-T700 PolarHBondContact O-N 2.95Å; D696-T700 PolarHBondContact O-OG1 3.32Å; T697-T700 PolarHBondContact O-N 3.24Å; V698-T700 VanDerWaalsContact C-N 3.25Å; V698-T700 PolarHBondContact O-N 3.01Å; T700-R703 PolarHBondContact O-N 2.81Å; T700-R704 PolarHBondContact O-N 3.37Å
701S40.2Very low38.1Very low68 Ų6879.2 Ų79.248%0.47643%0.429SS..Hα-helixtrans-63.1-42.5173.6-64.70000111.6T697 R703 R704 I705T697-S701 PolarHBondContact O-N 2.76Å; T697-S701 PolarHBondContact O-OG 2.69Å; S701-R703 PolarHBondContact O-N 2.73Å; S701-R704 PolarHBondContact O-N 3.45Å; S701-I705 WeakPolarHBondContact O-CB 3.36Å; S701-I705 VanDerWaalsContact O-CG1 3.31Å; S701-I705 WeakPolarHBondContact O-CG1 3.37Å; S701-I705 PolarHBondContact O-N 3.24Å
702L38.5Very low38.2Very low62 Ų6276.1 Ų76.133%0.32541%0.414SS..Hα-helixtrans-65.4-36.3173.8-71.2172.5000112.2V698 A706V698-L702 HydrophobicContact CG1-CD1 3.82Å; V698-L702 HydrophobicContact CG1-CG 4.24Å; V698-L702 VanDerWaalsContact O-CB 3.3Å; V698-L702 WeakPolarHBondContact O-CB 3.17Å; V698-L702 VanDerWaalsContact O-CG 3.28Å; V698-L702 WeakPolarHBondContact O-CG 3.24Å; V698-L702 PolarHBondContact O-N 2.68Å; L702-A706 WeakPolarHBondContact O-CB 3.16Å; L702-A706 PolarHBondContact O-N 3.27Å
703R40.1Very low38.3Very low130 Ų13076.4 Ų76.449%0.49141%0.409SS..Hα-helixtrans-64.2-43.9171.1-79.7-170.7-139.4159.311112.3E699 T700 S701 A706 S707E699-R703 WeakPolarHBondContact O-CB 3.3Å; E699-R703 VanDerWaalsContact O-CG 3.27Å; E699-R703 WeakPolarHBondContact O-CG 3.33Å; E699-R703 PolarHBondContact O-N 3.46Å; E699-R703 IonicContact OE1-CZ 2.71Å; E699-R703 IonicContact OE1-NE 2.68Å; E699-R703 PolarHBondContact OE1-NE 3.33Å; E699-R703 IonicContact OE1-NH2 3.21Å; E699-R703 PolarHBondContact OE1-NH2 3.05Å; T700-R703 PolarHBondContact O-N 2.81Å; S701-R703 PolarHBondContact O-N 2.73Å; R703-A706 PolarHBondContact O-N 3.24Å; R703-S707 PolarHBondContact O-N 2.98Å
704R41.9Very low38.4Very low126 Ų12680.5 Ų80.548%0.47543%0.431SS..Hα-helixtrans-65.5-48.9179.9-84.7177.7162.1-174.4-7.3111.6T700 S701 A706 S707 T708 E1025T700-R704 PolarHBondContact O-N 3.37Å; S701-R704 PolarHBondContact O-N 3.45Å; R704-A706 VanDerWaalsContact C-N 3.31Å; R704-A706 PolarHBondContact O-N 3.04Å; R704-S707 PolarHBondContact O-N 2.94Å; R704-S707 VanDerWaalsContact O-N 3.08Å; R704-T708 PolarHBondContact O-N 3.07Å; R704-T708 PolarHBondContact O-OG1 3.05Å; R704-E1025 IonicContact CZ-OE1 3.8Å; R704-E1025 IonicContact CZ-OE2 2.71Å; R704-E1025 IonicContact NH1-OE1 2.83Å; R704-E1025 PolarHBondContact NH1-OE1 3.47Å; R704-E1025 IonicContact NH1-OE2 3.78Å; R704-E1025 PolarHBondContact NH1-OE2 3.35Å; R704-E1025 IonicContact NH2-OE1 3.2Å; R704-E1025 PolarHBondContact NH2-OE1 2.7Å; R704-E1025 IonicContact NH2-OE2 3.46Å
705I38.8Very low38.4Very low102 Ų10280.7 Ų80.752%0.52343%0.432SS..Hα-helixtrans-61.2-40.1174.8-66.1166.3000110.8S701 T708 V709S701-I705 WeakPolarHBondContact O-CB 3.36Å; S701-I705 VanDerWaalsContact O-CG1 3.31Å; S701-I705 WeakPolarHBondContact O-CG1 3.37Å; S701-I705 PolarHBondContact O-N 3.24Å; I705-T708 PolarHBondContact O-OG1 3.01Å; I705-V709 HydrophobicContact CG2-CG2 4.38Å; I705-V709 WeakPolarHBondContact O-CB 3.44Å; I705-V709 VanDerWaalsContact O-CG2 3.26Å; I705-V709 WeakPolarHBondContact O-CG2 3.4Å; I705-V709 PolarHBondContact O-N 3.48Å
706A36.4Very low38.2Very low28 Ų2884.9 Ų84.923%0.23146%0.456CS..Hα-helixtrans-62.4-44.217200000111.5L702 R703 R704 V709 L710L702-A706 WeakPolarHBondContact O-CB 3.16Å; L702-A706 PolarHBondContact O-N 3.27Å; R703-A706 PolarHBondContact O-N 3.24Å; R704-A706 VanDerWaalsContact C-N 3.31Å; R704-A706 PolarHBondContact O-N 3.04Å; A706-V709 PolarHBondContact O-N 3.04Å; A706-L710 HydrophobicContact CB-CD1 4.23Å; A706-L710 WeakPolarHBondContact O-CB 3.48Å; A706-L710 VanDerWaalsContact O-CD1 3.27Å; A706-L710 WeakPolarHBondContact O-CD1 3.4Å; A706-L710 WeakPolarHBondContact O-CG 3.2Å; A706-L710 PolarHBondContact O-N 2.7Å
707S38.5Very low38.3Very low53 Ų5380.8 Ų80.837%0.37143%0.432SS..Hα-helixtrans-59.6-50.5177.7-1220000111.5R703 R704 V709 L710 E711R703-S707 PolarHBondContact O-N 2.98Å; R704-S707 PolarHBondContact O-N 2.94Å; R704-S707 VanDerWaalsContact O-N 3.08Å; S707-V709 PolarHBondContact O-N 3.48Å; S707-L710 CarbonylContact O-C 3.59Å; S707-L710 PolarHBondContact O-N 3.46Å; S707-L710 VanDerWaalsContact O-N 3.1Å; S707-E711 WeakPolarHBondContact CB-OE1 3.47Å; S707-E711 WeakPolarHBondContact O-CB 3.37Å; S707-E711 VanDerWaalsContact O-CG 3.29Å; S707-E711 WeakPolarHBondContact O-CG 3.09Å; S707-E711 PolarHBondContact O-N 2.85Å; S707-E711 PolarHBondContact OG-OE1 3.36Å
708T38.3Very low38.5Very low91 Ų9182.4 Ų82.456%0.55844%0.437SS*.Hα-helixtrans-64.1-37.2179.543.60000113.5R704 I705 L710R704-T708 PolarHBondContact O-N 3.07Å; R704-T708 PolarHBondContact O-OG1 3.05Å; I705-T708 PolarHBondContact O-OG1 3.01Å; T708-L710 VanDerWaalsContact C-N 3.32Å; T708-L710 PolarHBondContact O-N 3.01Å
709V34.7Very low38.7Very low78 Ų7883.3 Ų83.347%0.47344%0.443SS..Hα-helixtrans-72-24.2174.7173.30000112.6I705 A706 S707I705-V709 HydrophobicContact CG2-CG2 4.38Å; I705-V709 WeakPolarHBondContact O-CB 3.44Å; I705-V709 VanDerWaalsContact O-CG2 3.26Å; I705-V709 WeakPolarHBondContact O-CG2 3.4Å; I705-V709 PolarHBondContact O-N 3.48Å; A706-V709 PolarHBondContact O-N 3.04Å; S707-V709 PolarHBondContact O-N 3.48Å
710L35.2Very low38.9Very low37 Ų3791.6 Ų91.619%0.19447%0.472CS..Hα-helixtrans-93.7-21.3178-61167.6000112.9A706 S707 T708 V712 H726 T730 L733A706-L710 HydrophobicContact CB-CD1 4.23Å; A706-L710 WeakPolarHBondContact O-CB 3.48Å; A706-L710 VanDerWaalsContact O-CD1 3.27Å; A706-L710 WeakPolarHBondContact O-CD1 3.4Å; A706-L710 WeakPolarHBondContact O-CG 3.2Å; A706-L710 PolarHBondContact O-N 2.7Å; S707-L710 CarbonylContact O-C 3.59Å; S707-L710 PolarHBondContact O-N 3.46Å; S707-L710 VanDerWaalsContact O-N 3.1Å; T708-L710 VanDerWaalsContact C-N 3.32Å; T708-L710 PolarHBondContact O-N 3.01Å; L710-V712 VanDerWaalsContact C-N 3.32Å; L710-V712 PolarHBondContact O-N 3.28Å; L710-H726 PolarHBondContact O-CE1 2.99Å; L710-T730 HydrophobicContact CB-CG2 4.25Å; L710-T730 VanDerWaalsContact CD2-CA 3.46Å; L710-T730 VanDerWaalsContact CD2-CB 3.46Å; L710-T730 HydrophobicContact CD2-CG2 3.71Å; L710-T730 WeakPolarHBondContact CD2-O 3.33Å; L710-L733 HydrophobicContact CD2-CB 4.3Å; L710-L733 HydrophobicContact CD2-CD1 4.4Å
711E36.1Very low39Very low121 Ų12193.1 Ų93.157%0.56548%0.477SS*.  trans-91.419.9-178.4-74.3173.8-135.400113.7S707 H713S707-E711 WeakPolarHBondContact CB-OE1 3.47Å; S707-E711 WeakPolarHBondContact O-CB 3.37Å; S707-E711 VanDerWaalsContact O-CG 3.29Å; S707-E711 WeakPolarHBondContact O-CG 3.09Å; S707-E711 PolarHBondContact O-N 2.85Å; S707-E711 PolarHBondContact OG-OE1 3.36Å; E711-H713 PolarHBondContact O-N 3.08Å
712V39.1Very low39.1Very low46 Ų4693.4 Ų93.428%0.27947%0.471SS..THydrogen-bonded Turntrans-71.452.1168.2-163.40000110.9L710 L715 F717 H726L710-V712 VanDerWaalsContact C-N 3.32Å; L710-V712 PolarHBondContact O-N 3.28Å; V712-L715 HydrophobicContact CG1-CB 4.3Å; V712-L715 HydrophobicContact CG1-CD1 3.48Å; V712-L715 VanDerWaalsContact CG1-CD1 3.48Å; V712-L715 HydrophobicContact CG1-CG 3.61Å; V712-F717 VanDerWaalsContact O-CE2 3.28Å; V712-F717 WeakPolarHBondContact O-CE2 3.39Å; V712-H726 PolarHBondContact O-CE1 2.94Å; V712-H726 PolarHBondContact O-ND1 2.95Å
713H37.7Very low39.4Very low95 Ų9596.8 Ų96.844%0.4448%0.479SS..THydrogen-bonded Turntrans-92.7-6.4170.7-80.1-40.7000112.8E711 H726E711-H713 PolarHBondContact O-N 3.08Å; H713-H726 AromaticContact CE1-ND1 3.57Å; H713-H726 AromaticContact ND1-ND1 3.63Å
714L35.4Very low39.7Very low169 Ų16995.6 Ų95.689%0.88548%0.482SS*.  trans-91.4-6.6177.2-66.8172.9000114.2V716L714-V716 PolarHBondContact O-N 3.05Å
715L37.1Very low39.8Very low85 Ų8593.9 Ų93.945%0.44548%0.476SS..SBendtrans-64.9134.8164.3-78.5179.4000109.6V712 F717V712-L715 HydrophobicContact CG1-CB 4.3Å; V712-L715 HydrophobicContact CG1-CD1 3.48Å; V712-L715 VanDerWaalsContact CG1-CD1 3.48Å; V712-L715 HydrophobicContact CG1-CG 3.61Å; L715-F717 HydrophobicContact CB-CD2 4.39Å; L715-F717 HydrophobicContact CB-CE1 4.17Å; L715-F717 HydrophobicContact CB-CE2 3.99Å; L715-F717 HydrophobicContact CB-CZ 3.87Å; L715-F717 HydrophobicContact CD1-CE1 4.4Å; L715-F717 HydrophobicContact CD1-CZ 4.24Å; L715-F717 WeakPolarHBondContact O-CD2 3.3Å; L715-F717 PolarHBondContact O-N 3.3Å
716V36.2Very low40.1Very low124 Ų12490.3 Ų90.375%0.75246%0.457SS*.  trans-73.978.2178.8-174.10000109.8L714 N718L714-V716 PolarHBondContact O-N 3.05Å; V716-N718 PolarHBondContact O-N 3.02Å
717F42.2Very low40.7Very low36 Ų3695.9 Ų95.916%0.15847%0.472CS..  trans-70.494.7173.5-63.8-63.4000110V712 L715 T719 E722 R723 H726V712-F717 VanDerWaalsContact O-CE2 3.28Å; V712-F717 WeakPolarHBondContact O-CE2 3.39Å; L715-F717 HydrophobicContact CB-CD2 4.39Å; L715-F717 HydrophobicContact CB-CE1 4.17Å; L715-F717 HydrophobicContact CB-CE2 3.99Å; L715-F717 HydrophobicContact CB-CZ 3.87Å; L715-F717 HydrophobicContact CD1-CE1 4.4Å; L715-F717 HydrophobicContact CD1-CZ 4.24Å; L715-F717 WeakPolarHBondContact O-CD2 3.3Å; L715-F717 PolarHBondContact O-N 3.3Å; F717-T719 PolarHBondContact O-N 3.2Å; F717-E722 HydrophobicContact CB-CB 4.07Å; F717-E722 HydrophobicContact CD1-CB 3.61Å; F717-E722 HydrophobicContact CE1-CB 4.41Å; F717-E722 HydrophobicContact CG-CB 4.13Å; F717-R723 HydrophobicContact CB-CG 3.39Å; F717-R723 HydrophobicContact CD2-CG 3.86Å; F717-R723 HydrophobicContact CG-CG 3.92Å; F717-R723 PolarHBondContact O-NE 3.46Å; F717-R723 PolarHBondContact O-NH2 2.72Å; F717-H726 HydrophobicContact CE2-CB 4.37Å; F717-H726 HydrophobicContact CZ-CB 4.07Å
718N40.5Very low41.3Very low138 Ų13896.2 Ų96.274%0.73847%0.472SS*.  trans-55.5-32-178.5-73.6-30.7000112.7V716V716-N718 PolarHBondContact O-N 3.02Å
719T43.3Very low41.6Very low59 Ų5996.5 Ų96.536%0.36247%0.469SS..SBendtrans-104.9150.1175.579.10000113.2F717 I721 E722F717-T719 PolarHBondContact O-N 3.2Å; T719-I721 PolarHBondContact O-N 3.08Å; T719-I721 PolarHBondContact OG1-N 2.9Å; T719-E722 WeakPolarHBondContact CA-OE2 3.15Å; T719-E722 VanDerWaalsContact CB-OE2 3.24Å; T719-E722 WeakPolarHBondContact CB-OE2 3.31Å; T719-E722 WeakPolarHBondContact CG2-OE2 3.43Å; T719-E722 PolarHBondContact N-OE2 3.2Å; T719-E722 PolarHBondContact O-N 2.71Å; T719-E722 WeakPolarHBondContact OG1-CG 3.25Å; T719-E722 PolarHBondContact OG1-N 3.16Å; T719-E722 VanDerWaalsContact OG1-N 3.11Å; T719-E722 PolarHBondContact OG1-OE2 2.86Å
720R43.6Very low42Very low218 Ų21893.5 Ų93.582%0.82345%0.451SS*.Hα-helixtrans-63.2-22.7170-155.7174.9-169.6172.33.1112.2L724R720-L724 PolarHBondContact O-N 3.34Å
721I44.8Very low42.7Very low90 Ų9095.5 Ų95.546%0.46246%0.462SS..Hα-helixtrans-74.7-42.5-178.8-65.1172.2000111T719 R723 L724 R725T719-I721 PolarHBondContact O-N 3.08Å; T719-I721 PolarHBondContact OG1-N 2.9Å; I721-R723 PolarHBondContact O-N 3.43Å; I721-L724 WeakPolarHBondContact O-CB 3.41Å; I721-L724 PolarHBondContact O-N 3.4Å; I721-L724 VanDerWaalsContact O-N 3.16Å; I721-R725 HydrophobicContact CG2-CG 4.42Å; I721-R725 WeakPolarHBondContact O-CG 3.32Å; I721-R725 PolarHBondContact O-N 2.95Å
722E42.7Very low43.2Very low73 Ų7393.8 Ų93.834%0.34145%0.453SS..Hα-helixtrans-64.5-41.4177.9-66.8145.2148.100111.6F717 T719 L724 R725 H726F717-E722 HydrophobicContact CB-CB 4.07Å; F717-E722 HydrophobicContact CD1-CB 3.61Å; F717-E722 HydrophobicContact CE1-CB 4.41Å; F717-E722 HydrophobicContact CG-CB 4.13Å; T719-E722 WeakPolarHBondContact CA-OE2 3.15Å; T719-E722 VanDerWaalsContact CB-OE2 3.24Å; T719-E722 WeakPolarHBondContact CB-OE2 3.31Å; T719-E722 WeakPolarHBondContact CG2-OE2 3.43Å; T719-E722 PolarHBondContact N-OE2 3.2Å; T719-E722 PolarHBondContact O-N 2.71Å; T719-E722 WeakPolarHBondContact OG1-CG 3.25Å; T719-E722 PolarHBondContact OG1-N 3.16Å; T719-E722 VanDerWaalsContact OG1-N 3.11Å; T719-E722 PolarHBondContact OG1-OE2 2.86Å; E722-L724 VanDerWaalsContact C-N 3.25Å; E722-L724 PolarHBondContact O-N 3.19Å; E722-R725 PolarHBondContact O-N 3.43Å; E722-R725 VanDerWaalsContact O-N 3.16Å; E722-H726 PolarHBondContact O-N 3.02Å
723R45.3Very low43.3Very low133 Ų13394.5 Ų94.550%0.50246%0.455SS..Hα-helixtrans-58.8-37.5173.2-58.1-177.8-152.7-176.56.8112.1F717 I721 R727F717-R723 HydrophobicContact CB-CG 3.39Å; F717-R723 HydrophobicContact CD2-CG 3.86Å; F717-R723 HydrophobicContact CG-CG 3.92Å; F717-R723 PolarHBondContact O-NE 3.46Å; F717-R723 PolarHBondContact O-NH2 2.72Å; I721-R723 PolarHBondContact O-N 3.43Å; R723-R727 WeakPolarHBondContact O-CB 3.26Å; R723-R727 VanDerWaalsContact O-CG 3.29Å; R723-R727 WeakPolarHBondContact O-CG 3.28Å; R723-R727 PolarHBondContact O-N 2.96Å
724L46.9Very low43.8Very low105 Ų10598.3 Ų98.355%0.5547%0.465SS..Hα-helixtrans-69.9-45174.4-86.6162.8000111.9R720 I721 E722 H726 R727 V728R720-L724 PolarHBondContact O-N 3.34Å; I721-L724 WeakPolarHBondContact O-CB 3.41Å; I721-L724 PolarHBondContact O-N 3.4Å; I721-L724 VanDerWaalsContact O-N 3.16Å; E722-L724 VanDerWaalsContact C-N 3.25Å; E722-L724 PolarHBondContact O-N 3.19Å; L724-H726 VanDerWaalsContact C-N 3.34Å; L724-H726 PolarHBondContact O-N 3Å; L724-R727 PolarHBondContact O-N 3.07Å; L724-V728 WeakPolarHBondContact O-CG2 3.44Å; L724-V728 PolarHBondContact O-N 2.76Å
725R43.8Very low44.4Very low90 Ų9095.6 Ų95.634%0.3444%0.443SS..Hα-helixtrans-57.3-46.6175.2-71.7173176.1173.3-0.2111.2F203 I721 E722 V728 L729F203-R725 HydrophobicContact CE1-CG 3.88Å; I721-R725 HydrophobicContact CG2-CG 4.42Å; I721-R725 WeakPolarHBondContact O-CG 3.32Å; I721-R725 PolarHBondContact O-N 2.95Å; E722-R725 PolarHBondContact O-N 3.43Å; E722-R725 VanDerWaalsContact O-N 3.16Å; R725-V728 PolarHBondContact O-N 3.44Å; R725-L729 PolarHBondContact O-N 3.29Å; R725-L729 VanDerWaalsContact O-N 3.07Å
726H45.1Very low44.8Very low28 Ų2895 Ų9513%0.1345%0.445CS..Hα-helixtrans-58.9-51.8174.4-172.3-115.7000111.4L710 V712 H713 F717 E722 L724 V728 L729 T730L710-H726 PolarHBondContact O-CE1 2.99Å; V712-H726 PolarHBondContact O-CE1 2.94Å; V712-H726 PolarHBondContact O-ND1 2.95Å; H713-H726 AromaticContact CE1-ND1 3.57Å; H713-H726 AromaticContact ND1-ND1 3.63Å; F717-H726 HydrophobicContact CE2-CB 4.37Å; F717-H726 HydrophobicContact CZ-CB 4.07Å; E722-H726 PolarHBondContact O-N 3.02Å; L724-H726 VanDerWaalsContact C-N 3.34Å; L724-H726 PolarHBondContact O-N 3Å; H726-V728 VanDerWaalsContact C-N 3.26Å; H726-V728 PolarHBondContact O-N 3.31Å; H726-L729 PolarHBondContact O-N 3.16Å; H726-L729 VanDerWaalsContact O-N 3.14Å; H726-T730 VanDerWaalsContact CE1-CG2 3.5Å; H726-T730 WeakPolarHBondContact CE1-CG2 3.35Å; H726-T730 WeakPolarHBondContact NE2-CG2 3.44Å; H726-T730 WeakPolarHBondContact O-CG2 3.35Å; H726-T730 PolarHBondContact O-N 2.99Å; H726-T730 PolarHBondContact O-OG1 3.35Å; H726-T730 VanDerWaalsContact O-OG1 3.07Å
727R49.2Very low45.2Very low145 Ų14593.4 Ų93.455%0.54743%0.428SS..Hα-helixtrans-59.3-30.1177.6-76.8179.9174.5-171.2-1114.3R723 L724 T730 N731R723-R727 WeakPolarHBondContact O-CB 3.26Å; R723-R727 VanDerWaalsContact O-CG 3.29Å; R723-R727 WeakPolarHBondContact O-CG 3.28Å; R723-R727 PolarHBondContact O-N 2.96Å; L724-R727 PolarHBondContact O-N 3.07Å; R727-T730 WeakPolarHBondContact CA-OG1 3.28Å; R727-T730 PolarHBondContact O-OG1 3.02Å; R727-N731 VanDerWaalsContact O-CB 3.32Å; R727-N731 WeakPolarHBondContact O-CB 3.06Å; R727-N731 PolarHBondContact O-N 2.66Å; R727-N731 PolarHBondContact O-ND2 3.04Å
728V49.5Very low45.5Very low60 Ų6095.3 Ų95.336%0.36445%0.446SS..Hα-helixtrans-76.7-38.8176.5170.60000111.4K199 L724 R725 H726 K732K199-V728 HydrophobicContact CD-CG1 4.07Å; L724-V728 WeakPolarHBondContact O-CG2 3.44Å; L724-V728 PolarHBondContact O-N 2.76Å; R725-V728 PolarHBondContact O-N 3.44Å; H726-V728 VanDerWaalsContact C-N 3.26Å; H726-V728 PolarHBondContact O-N 3.31Å; V728-K732 WeakPolarHBondContact O-CB 3.31Å; V728-K732 PolarHBondContact O-N 3.12Å; V728-K732 VanDerWaalsContact O-N 3.08Å
729L44.3Very low46Very low97 Ų9795.8 Ų95.851%0.50844%0.443SS..Hα-helixtrans-67.4-49.8176.8-178.661.6000111.5R725 H726 N731 K732 L733R725-L729 PolarHBondContact O-N 3.29Å; R725-L729 VanDerWaalsContact O-N 3.07Å; H726-L729 PolarHBondContact O-N 3.16Å; H726-L729 VanDerWaalsContact O-N 3.14Å; L729-N731 PolarHBondContact O-N 3.41Å; L729-K732 WeakPolarHBondContact O-CB 3.48Å; L729-K732 PolarHBondContact O-N 2.87Å; L729-L733 HydrophobicContact CG-CD1 4.46Å; L729-L733 PolarHBondContact O-N 3.26Å
730T44.6Very low46Very low14 Ų1498.8 Ų98.89%0.08645%0.448CS..Hα-helixtrans-59.4-44.2179.454.90000111.8L710 H726 R727 K732 L733 R734L710-T730 HydrophobicContact CB-CG2 4.25Å; L710-T730 VanDerWaalsContact CD2-CA 3.46Å; L710-T730 VanDerWaalsContact CD2-CB 3.46Å; L710-T730 HydrophobicContact CD2-CG2 3.71Å; L710-T730 WeakPolarHBondContact CD2-O 3.33Å; H726-T730 VanDerWaalsContact CE1-CG2 3.5Å; H726-T730 WeakPolarHBondContact CE1-CG2 3.35Å; H726-T730 WeakPolarHBondContact NE2-CG2 3.44Å; H726-T730 WeakPolarHBondContact O-CG2 3.35Å; H726-T730 PolarHBondContact O-N 2.99Å; H726-T730 PolarHBondContact O-OG1 3.35Å; H726-T730 VanDerWaalsContact O-OG1 3.07Å; R727-T730 WeakPolarHBondContact CA-OG1 3.28Å; R727-T730 PolarHBondContact O-OG1 3.02Å; T730-K732 VanDerWaalsContact C-N 3.35Å; T730-K732 PolarHBondContact O-N 3.29Å; T730-L733 PolarHBondContact O-N 2.8Å; T730-R734 WeakPolarHBondContact O-CB 3.29Å; T730-R734 PolarHBondContact O-N 3.08Å
731N48.5Very low46.1Very low80 Ų8093 Ų9343%0.42843%0.426SS..Hα-helixtrans-66.3-32174.5-79.8-47.8000113.5R727 L729 R735R727-N731 VanDerWaalsContact O-CB 3.32Å; R727-N731 WeakPolarHBondContact O-CB 3.06Å; R727-N731 PolarHBondContact O-N 2.66Å; R727-N731 PolarHBondContact O-ND2 3.04Å; L729-N731 PolarHBondContact O-N 3.41Å; N731-R735 WeakPolarHBondContact O-CB 3.29Å; N731-R735 WeakPolarHBondContact O-CG 3.31Å; N731-R735 PolarHBondContact O-N 2.99Å
732K46.8Very low46.4Very low85 Ų8592.3 Ų92.337%0.3743%0.429SS..Hα-helixtrans-65.7-48.6175.6-160.4-178-176.1-169.70110.4V728 L729 T730 R735 C736V728-K732 WeakPolarHBondContact O-CB 3.31Å; V728-K732 PolarHBondContact O-N 3.12Å; V728-K732 VanDerWaalsContact O-N 3.08Å; L729-K732 WeakPolarHBondContact O-CB 3.48Å; L729-K732 PolarHBondContact O-N 2.87Å; T730-K732 VanDerWaalsContact C-N 3.35Å; T730-K732 PolarHBondContact O-N 3.29Å; K732-R735 PolarHBondContact O-N 2.98Å; K732-C736 PolarHBondContact O-N 2.94Å; K732-C736 PolarHBondContact O-SG 2.86Å; K732-C736 VanDerWaalsContact O-SG 3.34Å
733L42.3Very low46.9Very low61 Ų6193.6 Ų93.632%0.31943%0.431SS..Hα-helixtrans-59.2-47.8174.7-69.1169.8000111.6L710 L729 T730 R735 C736 F737L710-L733 HydrophobicContact CD2-CB 4.3Å; L710-L733 HydrophobicContact CD2-CD1 4.4Å; L729-L733 HydrophobicContact CG-CD1 4.46Å; L729-L733 PolarHBondContact O-N 3.26Å; T730-L733 PolarHBondContact O-N 2.8Å; L733-R735 VanDerWaalsContact C-N 3.33Å; L733-R735 PolarHBondContact O-N 3.48Å; L733-C736 PolarHBondContact O-N 3.35Å; L733-C736 VanDerWaalsContact O-N 3.12Å; L733-F737 WeakPolarHBondContact O-CD2 3.38Å; L733-F737 PolarHBondContact O-N 3.41Å
734R47.2Very low46.7Very low174 Ų17488.2 Ų88.266%0.65742%0.415SS*.Hα-helixtrans-59.6-38.4178.2-169.2174.8-178.5169.81.5112.6T730 S738T730-R734 WeakPolarHBondContact O-CB 3.29Å; T730-R734 PolarHBondContact O-N 3.08Å; R734-S738 VanDerWaalsContact O-CB 3.25Å; R734-S738 WeakPolarHBondContact O-CB 3.35Å; R734-S738 PolarHBondContact O-N 3.28Å
735R49.6Very low46.7Very low113 Ų11388.2 Ų88.243%0.42641%0.408SS..Hα-helixtrans-66.2-43.2173-75.4-175.2-170.2166.811.4111.9F228 D229 N731 K732 L733 S738 H739F228-R735 PolarHBondContact O-NH1 2.93Å; D229-R735 IonicContact OD1-CZ 3.13Å; D229-R735 IonicContact OD1-NH1 3.68Å; D229-R735 IonicContact OD1-NH2 2.67Å; D229-R735 PolarHBondContact OD1-NH2 3.12Å; N731-R735 WeakPolarHBondContact O-CB 3.29Å; N731-R735 WeakPolarHBondContact O-CG 3.31Å; N731-R735 PolarHBondContact O-N 2.99Å; K732-R735 PolarHBondContact O-N 2.98Å; L733-R735 VanDerWaalsContact C-N 3.33Å; L733-R735 PolarHBondContact O-N 3.48Å; R735-S738 WeakPolarHBondContact O-CB 3.43Å; R735-S738 PolarHBondContact O-N 2.86Å; R735-H739 PolarHBondContact O-N 2.96Å
736C44.9Very low47Very low71 Ų7190.5 Ų90.548%0.4842%0.422SS..Hα-helixtrans-61.6-50.5177.3-660000112.3K732 L733 S738 H739 W740K732-C736 PolarHBondContact O-N 2.94Å; K732-C736 PolarHBondContact O-SG 2.86Å; K732-C736 VanDerWaalsContact O-SG 3.34Å; L733-C736 PolarHBondContact O-N 3.35Å; L733-C736 VanDerWaalsContact O-N 3.12Å; C736-S738 VanDerWaalsContact C-N 3.31Å; C736-S738 PolarHBondContact O-N 2.98Å; C736-H739 PolarHBondContact O-N 3.43Å; C736-W740 PolarHBondContact O-N 2.86Å
737F45.1Very low47Very low92 Ų9292.2 Ų92.240%0.40443%0.429SS..Hα-helixtrans-61.6-37.4176.2-78.6-67.3000112.4L733 W740 R741L733-F737 WeakPolarHBondContact O-CD2 3.38Å; L733-F737 PolarHBondContact O-N 3.41Å; F737-W740 PolarHBondContact O-N 3.06Å; F737-R741 WeakPolarHBondContact O-CB 3.48Å; F737-R741 PolarHBondContact O-N 2.94Å
738S48.2Very low46.6Very low75 Ų7588.1 Ų88.152%0.52443%0.426SS..Hα-helixtrans-60.8-44.7173.7-173.50000112.2R734 R735 C736 R741 S742R734-S738 VanDerWaalsContact O-CB 3.25Å; R734-S738 WeakPolarHBondContact O-CB 3.35Å; R734-S738 PolarHBondContact O-N 3.28Å; R735-S738 WeakPolarHBondContact O-CB 3.43Å; R735-S738 PolarHBondContact O-N 2.86Å; C736-S738 VanDerWaalsContact C-N 3.31Å; C736-S738 PolarHBondContact O-N 2.98Å; S738-R741 PolarHBondContact O-N 3.3Å; S738-S742 WeakPolarHBondContact O-CB 3.26Å; S738-S742 PolarHBondContact O-N 3.21Å
739H50.5Low46.3Very low149 Ų14994.9 Ų94.969%0.6945%0.445SS*.Hα-helixtrans-64-45.7178.8-130.6130.7000111.8R735 C736 S742 W743R735-H739 PolarHBondContact O-N 2.96Å; C736-H739 PolarHBondContact O-N 3.43Å; H739-S742 PolarHBondContact O-N 3.45Å; H739-W743 WeakPolarHBondContact O-CB 3.48Å; H739-W743 PolarHBondContact O-N 3.39Å
740W43.3Very low46.3Very low121 Ų12194 Ų9446%0.45845%0.447SS..Hα-helixtrans-61.4-46.3176.7-169.979.6000111.9C736 F737 S742 W743 A744C736-W740 PolarHBondContact O-N 2.86Å; F737-W740 PolarHBondContact O-N 3.06Å; W740-S742 PolarHBondContact O-N 2.95Å; W740-W743 PolarHBondContact O-N 2.9Å; W740-A744 WeakPolarHBondContact O-CB 3.27Å; W740-A744 PolarHBondContact O-N 3.25Å
741R45.4Very low46.1Very low96 Ų9696.5 Ų96.536%0.36246%0.457SS..Hα-helixtrans-60.8-41.8176.2-171.5-177.8-166.6-150.38.2112.4E699 F737 S738 R745E699-R741 IonicContact OE1-CZ 3.69Å; E699-R741 IonicContact OE1-NE 3.41Å; E699-R741 PolarHBondContact OE1-NE 3.43Å; E699-R741 IonicContact OE1-NH2 3.3Å; E699-R741 PolarHBondContact OE1-NH2 3.08Å; E699-R741 IonicContact OE2-NE 3.55Å; F737-R741 WeakPolarHBondContact O-CB 3.48Å; F737-R741 PolarHBondContact O-N 2.94Å; S738-R741 PolarHBondContact O-N 3.3Å; R741-R745 VanDerWaalsContact NH2-NH2 3.2Å; R741-R745 WeakPolarHBondContact O-CB 3.27Å; R741-R745 WeakPolarHBondContact O-CD 3.5Å; R741-R745 WeakPolarHBondContact O-CG 3.44Å; R741-R745 PolarHBondContact O-N 3.29Å; R741-R745 VanDerWaalsContact O-N 3.1Å
742S51.7Low45.4Very low76 Ų7697.6 Ų97.653%0.53147%0.471SS..Hα-helixtrans-66.6-45.5177.6-166.50000111.5S738 H739 W740 R745 H746S738-S742 WeakPolarHBondContact O-CB 3.26Å; S738-S742 PolarHBondContact O-N 3.21Å; H739-S742 PolarHBondContact O-N 3.45Å; W740-S742 PolarHBondContact O-N 2.95Å; S742-R745 PolarHBondContact O-N 3.17Å; S742-H746 WeakPolarHBondContact O-CB 3.32Å; S742-H746 PolarHBondContact O-N 3.25Å
743W53Low44.6Very low101 Ų101102.2 Ų102.238%0.38349%0.494SS..Hα-helixtrans-62.7-46.8176.6179.389.2000112.7H739 W740 R745 H746 K747 Y781H739-W743 WeakPolarHBondContact O-CB 3.48Å; H739-W743 PolarHBondContact O-N 3.39Å; W740-W743 PolarHBondContact O-N 2.9Å; W743-R745 PolarHBondContact O-N 2.98Å; W743-H746 PolarHBondContact O-N 3.39Å; W743-K747 HydrophobicContact CH2-CD 4.05Å; W743-K747 HydrophobicContact CZ2-CD 3.71Å; W743-K747 WeakPolarHBondContact O-CB 3.32Å; W743-K747 PolarHBondContact O-N 3.44Å; W743-Y781 AromaticContact CH2-CD2 3.95Å; W743-Y781 HydrophobicContact CH2-CD2 3.95Å; W743-Y781 AromaticContact CH2-CE2 3.82Å; W743-Y781 HydrophobicContact CH2-CE2 3.82Å; W743-Y781 HydrophobicContact CZ3-CE2 4.32Å
744A40.8Very low44.1Very low19 Ų19104 Ų10416%0.15750%0.502CS..Hα-helixtrans-59.5-46.5177.600000111.2W740 K747 A748W740-A744 WeakPolarHBondContact O-CB 3.27Å; W740-A744 PolarHBondContact O-N 3.25Å; A744-K747 PolarHBondContact O-N 3.34Å; A744-A748 WeakPolarHBondContact O-CB 3.45Å; A744-A748 PolarHBondContact O-N 3.11Å
745R47.3Very low43.2Very low106 Ų106104.5 Ų104.540%0.451%0.509SS..Hα-helixtrans-64.2-40.3176.8-72.3171178.4-153.8-7.5112.6E699 R741 S742 W743 R749E699-R745 IonicContact OE1-NH2 3.33Å; E699-R745 PolarHBondContact OE1-NH2 3.01Å; E699-R745 IonicContact OE2-CZ 3.75Å; E699-R745 IonicContact OE2-NE 3.9Å; E699-R745 IonicContact OE2-NH2 2.8Å; E699-R745 PolarHBondContact OE2-NH2 2.82Å; R741-R745 VanDerWaalsContact NH2-NH2 3.2Å; R741-R745 WeakPolarHBondContact O-CB 3.27Å; R741-R745 WeakPolarHBondContact O-CD 3.5Å; R741-R745 WeakPolarHBondContact O-CG 3.44Å; R741-R745 PolarHBondContact O-N 3.29Å; R741-R745 VanDerWaalsContact O-N 3.1Å; S742-R745 PolarHBondContact O-N 3.17Å; W743-R745 PolarHBondContact O-N 2.98Å; R745-R749 WeakPolarHBondContact O-CB 3.43Å; R745-R749 VanDerWaalsContact O-CG 3.26Å; R745-R749 WeakPolarHBondContact O-CG 3.44Å; R745-R749 PolarHBondContact O-N 2.84Å
746H50.1Low42.3Very low137 Ų137106 Ų10663%0.63453%0.525SS*.Hα-helixtrans-62.9-44174.6-170.9-61.1000111.5S742 W743 R749 S750S742-H746 WeakPolarHBondContact O-CB 3.32Å; S742-H746 PolarHBondContact O-N 3.25Å; W743-H746 PolarHBondContact O-N 3.39Å; H746-R749 PolarHBondContact O-N 3.33Å; H746-S750 WeakPolarHBondContact O-CB 3.49Å; H746-S750 PolarHBondContact O-N 3.1Å; H746-S750 PolarHBondContact O-OG 3.12Å
747K44.5Very low41.3Very low64 Ų64106.8 Ų106.828%0.27853%0.529SS..Hα-helixtrans-77.8-19.4-176.6-153169.4-175.2-177.40113.6W743 A744 K751W743-K747 HydrophobicContact CH2-CD 4.05Å; W743-K747 HydrophobicContact CZ2-CD 3.71Å; W743-K747 WeakPolarHBondContact O-CB 3.32Å; W743-K747 PolarHBondContact O-N 3.44Å; A744-K747 PolarHBondContact O-N 3.34Å; K747-K751 WeakPolarHBondContact O-CG 3.4Å
748A41.7Very low40.5Very low60 Ų60112.6 Ų112.650%0.49655%0.55SS.*Hα-helixtrans-76.8-45.8165.200000111.6A744 S750 K751A744-A748 WeakPolarHBondContact O-CB 3.45Å; A744-A748 PolarHBondContact O-N 3.11Å; A748-S750 VanDerWaalsContact C-N 3.35Å; A748-S750 PolarHBondContact O-N 2.98Å; A748-K751 PolarHBondContact O-N 3.38Å; A748-K751 VanDerWaalsContact O-N 3.1Å
749R43.5Very low39.5Very low201 Ų201120 Ų12076%0.75857%0.567SS**Hα-helixtrans-63.6-36.9177.4-74.4174177.9-170.1-3112.8R745 H746 K751 S752R745-R749 WeakPolarHBondContact O-CB 3.43Å; R745-R749 VanDerWaalsContact O-CG 3.26Å; R745-R749 WeakPolarHBondContact O-CG 3.44Å; R745-R749 PolarHBondContact O-N 2.84Å; H746-R749 PolarHBondContact O-N 3.33Å; R749-K751 PolarHBondContact O-N 3.15Å; R749-K751 VanDerWaalsContact O-N 3.11Å; R749-S752 PolarHBondContact O-OG 2.91Å
750S43Very low38.5Very low78 Ų78122.7 Ų122.755%0.54557%0.571SS.*THydrogen-bonded Turntrans-77.118173.978.10000114H746 A748H746-S750 WeakPolarHBondContact O-CB 3.49Å; H746-S750 PolarHBondContact O-N 3.1Å; H746-S750 PolarHBondContact O-OG 3.12Å; A748-S750 VanDerWaalsContact C-N 3.35Å; A748-S750 PolarHBondContact O-N 2.98Å
751K41.1Very low37.9Very low68 Ų68120 Ų12030%0.29657%0.574SS.*THydrogen-bonded Turntrans-130.95.2-179.1-81.3-167166-1600114.3K747 A748 R749 E753 I754K747-K751 WeakPolarHBondContact O-CG 3.4Å; A748-K751 PolarHBondContact O-N 3.38Å; A748-K751 VanDerWaalsContact O-N 3.1Å; R749-K751 PolarHBondContact O-N 3.15Å; R749-K751 VanDerWaalsContact O-N 3.11Å; K751-E753 PolarHBondContact O-N 3.16Å; K751-E753 VanDerWaalsContact O-N 3.15Å; K751-I754 HydrophobicContact CB-CD1 4.26Å; K751-I754 HydrophobicContact CB-CG1 4.28Å; K751-I754 HydrophobicContact CD-CD1 3.69Å; K751-I754 HydrophobicContact CG-CD1 3.68Å; K751-I754 HydrophobicContact CG-CG1 4.14Å; K751-I754 PolarHBondContact O-N 2.87Å
752S32.5Very low37.3Very low102 Ų102123.5 Ų123.571%0.71360%0.595SS**THydrogen-bonded Turntrans-59.4-18.8167.648.20000113.3R749R749-S752 PolarHBondContact O-OG 2.91Å
753E30.1Very low36.6Very low183 Ų183121.9 Ų121.986%0.85559%0.586SS**THydrogen-bonded Turntrans-88-3.8173.5-62.3-169137.700114.5K751 K755K751-E753 PolarHBondContact O-N 3.16Å; K751-E753 VanDerWaalsContact O-N 3.15Å; E753-K755 PolarHBondContact O-N 3.17Å
754I33.1Very low35.9Very low98 Ų98121.3 Ų121.350%0.50360%0.595SS.*  trans-77.568166.7-50.2-170.1000108.9K751 L756K751-I754 HydrophobicContact CB-CD1 4.26Å; K751-I754 HydrophobicContact CB-CG1 4.28Å; K751-I754 HydrophobicContact CD-CD1 3.69Å; K751-I754 HydrophobicContact CG-CD1 3.68Å; K751-I754 HydrophobicContact CG-CG1 4.14Å; K751-I754 PolarHBondContact O-N 2.87Å; I754-L756 VanDerWaalsContact C-N 3.3Å; I754-L756 PolarHBondContact O-N 3.38Å
755K28.5Very low35.9Very low184 Ų184125.7 Ų125.780%0.862%0.62SS**  trans-64.397.6153.3-71.7-179.7179.71750106.6E753 P757E753-K755 PolarHBondContact O-N 3.17Å; K755-P757 WeakPolarHBondContact O-CD 3.5Å
756L29.1Very low35.4Very low144 Ų144126.6 Ų126.675%0.75463%0.629SS**  trans-54.8107.6159.1-89158.2000107I754 Y758I754-L756 VanDerWaalsContact C-N 3.3Å; I754-L756 PolarHBondContact O-N 3.38Å; L756-Y758 PolarHBondContact O-N 3.11Å; L756-Y758 VanDerWaalsContact O-N 3.07Å
757P25.3Very low34.9Very low88 Ų88122.7 Ų122.757%0.57162%0.617SS**  trans-79.2103.1-177.930.4-25.2000106.5K755 R759K755-P757 WeakPolarHBondContact O-CD 3.5Å; P757-R759 PolarHBondContact O-N 3.47Å
758Y27.1Very low34.9Very low215 Ų215125.2 Ų125.284%0.84363%0.631SS**  trans-75.651.8174.4-142.5-82.7000111.1L756L756-Y758 PolarHBondContact O-N 3.11Å; L756-Y758 VanDerWaalsContact O-N 3.07Å
759R28.3Very low35.1Very low230 Ų230125.3 Ų125.387%0.86863%0.632SS**SBendtrans-107.9146.9163.1-78-171.6170.5-167-3107.4P757 A761P757-R759 PolarHBondContact O-N 3.47Å; R759-A761 PolarHBondContact O-N 3.44Å
760R29.9Very low35.2Very low206 Ų206121.1 Ų121.178%0.77762%0.621SS**  trans-59.4126.9174.2-67.6173.6175.3162.7-3.3108.9E762R760-E762 HydrophobicContact CB-CG 3.99Å; R760-E762 PolarHBondContact O-N 3.03Å
761A30.6Very low35.3Very low65 Ų65122.2 Ų122.254%0.53762%0.617SS.*  trans-74.999.1163.100000107.4R759 A763R759-A761 PolarHBondContact O-N 3.44Å; A761-A763 VanDerWaalsContact C-N 3.27Å
762E32.1Very low35.8Very low168 Ų168125.5 Ų125.579%0.78563%0.631SS**  trans-80.3-13.1-175.8-64.7-177.1161.400112.1R760R760-E762 HydrophobicContact CB-CG 3.99Å; R760-E762 PolarHBondContact O-N 3.03Å
763A37.8Very low36.5Very low43 Ų43129.4 Ų129.436%0.35563%0.63SS.*SBendtrans-109.7130.8174.300000112.5A761 V765 E766A761-A763 VanDerWaalsContact C-N 3.27Å; A763-V765 PolarHBondContact O-N 2.68Å; A763-E766 PolarHBondContact O-N 2.94Å
764P36.8Very low37.2Very low88 Ų88124.1 Ų124.157%0.57161%0.608SS**Hα-helixtrans-68.7-19.9-179.227.7-34.9000113.9S767 M768P764-S767 WeakPolarHBondContact O-CB 3.33Å; P764-S767 PolarHBondContact O-N 2.81Å; P764-M768 PolarHBondContact O-N 2.71Å
765V41.7Very low37.8Very low112 Ų112123.9 Ų123.968%0.67961%0.605SS**Hα-helixtrans-67-39.6-179.3-176.70000111.8A763 S767 M768 A769A763-V765 PolarHBondContact O-N 2.68Å; V765-S767 VanDerWaalsContact C-N 3.32Å; V765-S767 PolarHBondContact O-N 3.32Å; V765-M768 PolarHBondContact O-N 3.4Å; V765-A769 PolarHBondContact O-N 3.35Å; V765-A769 VanDerWaalsContact O-N 3.09Å
766E37.4Very low39Very low124 Ų124118.8 Ų118.858%0.57959%0.592SS**Hα-helixtrans-67.3-35.1179.1-60.7-172.7137.900111.9A763 A769 H770A763-E766 PolarHBondContact O-N 2.94Å; E766-A769 PolarHBondContact O-N 2.9Å; E766-H770 PolarHBondContact O-N 2.9Å
767S39.8Very low39.8Very low56 Ų56115.2 Ų115.239%0.39257%0.573SS.*Hα-helixtrans-60.6-50.9174.2-171.30000111.4P764 V765 A769 H770 Q771P764-S767 WeakPolarHBondContact O-CB 3.33Å; P764-S767 PolarHBondContact O-N 2.81Å; V765-S767 VanDerWaalsContact C-N 3.32Å; V765-S767 PolarHBondContact O-N 3.32Å; S767-A769 VanDerWaalsContact C-N 3.29Å; S767-A769 PolarHBondContact O-N 3.25Å; S767-H770 PolarHBondContact O-N 3.32Å; S767-H770 VanDerWaalsContact O-N 3.16Å; S767-Q771 WeakPolarHBondContact O-CB 3.28Å; S767-Q771 PolarHBondContact O-N 3.47Å
768M43.9Very low40.6Very low117 Ų117115.2 Ų115.258%0.57657%0.568SS**Hα-helixtrans-60.5-36.8176.3-70.4-171.675.900112.7P764 V765 K772P764-M768 PolarHBondContact O-N 2.71Å; V765-M768 PolarHBondContact O-N 3.4Å; M768-K772 WeakPolarHBondContact O-CB 3.34Å; M768-K772 WeakPolarHBondContact O-CG 2.95Å; M768-K772 PolarHBondContact O-N 3.08Å
769A46.5Very low41.7Very low62 Ų62107.9 Ų107.951%0.51255%0.551SS.*Hα-helixtrans-67.5-38.9176.500000112.2V765 E766 S767 R773V765-A769 PolarHBondContact O-N 3.35Å; V765-A769 VanDerWaalsContact O-N 3.09Å; E766-A769 PolarHBondContact O-N 2.9Å; S767-A769 VanDerWaalsContact C-N 3.29Å; S767-A769 PolarHBondContact O-N 3.25Å; A769-R773 WeakPolarHBondContact O-CB 3.39Å; A769-R773 PolarHBondContact O-N 3.34Å
770H45.1Very low42.6Very low112 Ų11299.1 Ų99.152%0.51953%0.525SS..Hα-helixtrans-66.8-44.9173.3-108.966.2000112.2E766 S767 R773 L774E766-H770 PolarHBondContact O-N 2.9Å; S767-H770 PolarHBondContact O-N 3.32Å; S767-H770 VanDerWaalsContact O-N 3.16Å; H770-R773 PolarHBondContact O-N 2.76Å; H770-L774 PolarHBondContact O-N 2.83Å
771Q45.2Very low43.3Very low102 Ų10292.8 Ų92.848%0.47750%0.502SS..Hα-helixtrans-58.9-53.3178.4175.3171.4-10.500111.5S767 R773 L774 E775S767-Q771 WeakPolarHBondContact O-CB 3.28Å; S767-Q771 PolarHBondContact O-N 3.47Å; Q771-R773 PolarHBondContact O-N 3.49Å; Q771-L774 WeakPolarHBondContact O-CA 3.39Å; Q771-L774 WeakPolarHBondContact O-CB 3.47Å; Q771-L774 PolarHBondContact O-N 3.18Å; Q771-E775 HydrophobicContact CG-CG 4.35Å; Q771-E775 WeakPolarHBondContact CG-OE1 3.3Å; Q771-E775 PolarHBondContact NE2-OE1 3.03Å; Q771-E775 WeakPolarHBondContact O-CG 3.48Å; Q771-E775 PolarHBondContact O-N 3.45Å
772K51.7Low43.9Very low136 Ų13694.2 Ų94.259%0.59149%0.494SS*.Hα-helixtrans-57.1-33.9176.9-75.2-174.3173.5-1710113.3M768 E775 S776M768-K772 WeakPolarHBondContact O-CB 3.34Å; M768-K772 WeakPolarHBondContact O-CG 2.95Å; M768-K772 PolarHBondContact O-N 3.08Å; K772-E775 WeakPolarHBondContact CA-OE2 3.17Å; K772-S776 VanDerWaalsContact O-CB 3.3Å; K772-S776 WeakPolarHBondContact O-CB 3.47Å; K772-S776 PolarHBondContact O-N 3.32Å
773R47.4Very low44.7Very low184 Ų18491 Ų9169%0.69448%0.478SS*.Hα-helixtrans-72.4-32.2177.2-160.7173.7-168.71793.3112.2A769 H770 Q771 I777A769-R773 WeakPolarHBondContact O-CB 3.39Å; A769-R773 PolarHBondContact O-N 3.34Å; H770-R773 PolarHBondContact O-N 2.76Å; Q771-R773 PolarHBondContact O-N 3.49Å; R773-I777 WeakPolarHBondContact O-CD1 3.33Å; R773-I777 VanDerWaalsContact O-CG1 3.25Å; R773-I777 WeakPolarHBondContact O-CG1 3.29Å; R773-I777 PolarHBondContact O-N 3.17Å
774L43.6Very low45.1Very low73 Ų7396.4 Ų96.438%0.38249%0.49SS..Hα-helixtrans-71-48.4172.7-114.2160.9000111.5H770 Q771 S776 I777 L778H770-L774 PolarHBondContact O-N 2.83Å; Q771-L774 WeakPolarHBondContact O-CA 3.39Å; Q771-L774 WeakPolarHBondContact O-CB 3.47Å; Q771-L774 PolarHBondContact O-N 3.18Å; L774-S776 PolarHBondContact O-N 3.05Å; L774-I777 PolarHBondContact O-N 3.29Å; L774-I777 VanDerWaalsContact O-N 3.12Å; L774-L778 WeakPolarHBondContact O-CG 3.29Å; L774-L778 PolarHBondContact O-N 2.81Å
775E46.4Very low45.2Very low93 Ų9392.9 Ų92.944%0.43547%0.467SS..Hα-helixtrans-55.6-47.3175.7-69.6163.7172.600111.4Q771 K772 I777 L778 A779Q771-E775 HydrophobicContact CG-CG 4.35Å; Q771-E775 WeakPolarHBondContact CG-OE1 3.3Å; Q771-E775 PolarHBondContact NE2-OE1 3.03Å; Q771-E775 WeakPolarHBondContact O-CG 3.48Å; Q771-E775 PolarHBondContact O-N 3.45Å; K772-E775 WeakPolarHBondContact CA-OE2 3.17Å; E775-I777 VanDerWaalsContact C-N 3.33Å; E775-I777 PolarHBondContact O-N 3.02Å; E775-L778 PolarHBondContact O-N 2.88Å; E775-A779 WeakPolarHBondContact O-CB 3.44Å; E775-A779 PolarHBondContact O-N 2.83Å
776S53.7Low45.2Very low77 Ų7790.8 Ų90.854%0.53845%0.449SS..Hα-helixtrans-58.6-39.5175.6179.30000113.4K772 L774 S780K772-S776 VanDerWaalsContact O-CB 3.3Å; K772-S776 WeakPolarHBondContact O-CB 3.47Å; K772-S776 PolarHBondContact O-N 3.32Å; L774-S776 PolarHBondContact O-N 3.05Å; S776-S780 WeakPolarHBondContact O-CB 3.46Å; S776-S780 PolarHBondContact O-N 3.38Å
777I45.4Very low45.6Very low69 Ų6992.2 Ų92.235%0.35445%0.45SS..Hα-helixtrans-69.1-36.8177.8-72.2166.1000111.4R773 L774 E775 Y781R773-I777 WeakPolarHBondContact O-CD1 3.33Å; R773-I777 VanDerWaalsContact O-CG1 3.25Å; R773-I777 WeakPolarHBondContact O-CG1 3.29Å; R773-I777 PolarHBondContact O-N 3.17Å; L774-I777 PolarHBondContact O-N 3.29Å; L774-I777 VanDerWaalsContact O-N 3.12Å; E775-I777 VanDerWaalsContact C-N 3.33Å; E775-I777 PolarHBondContact O-N 3.02Å; I777-Y781 PolarHBondContact O-N 3.48Å
778L42.8Very low45.7Very low88 Ų8894 Ų9446%0.46145%0.453SS..Hα-helixtrans-72.3-43.5177.3-68.3170.4000111.7L774 E775 S780 Y781 R782L774-L778 WeakPolarHBondContact O-CG 3.29Å; L774-L778 PolarHBondContact O-N 2.81Å; E775-L778 PolarHBondContact O-N 2.88Å; L778-S780 VanDerWaalsContact C-N 3.33Å; L778-S780 PolarHBondContact O-N 2.87Å; L778-Y781 WeakPolarHBondContact O-CA 3.22Å; L778-Y781 WeakPolarHBondContact O-CB 3.46Å; L778-Y781 PolarHBondContact O-N 2.93Å; L778-R782 PolarHBondContact O-N 3.14Å
779A49.2Very low45.4Very low60 Ų6090.7 Ų90.750%0.49644%0.435SS..Hα-helixtrans-59.1-42.9173.400000112E775 Y781 R782 Q783E775-A779 WeakPolarHBondContact O-CB 3.44Å; E775-A779 PolarHBondContact O-N 2.83Å; A779-Y781 PolarHBondContact O-N 3.39Å; A779-R782 PolarHBondContact O-N 3.48Å; A779-Q783 PolarHBondContact O-N 3.32Å
780S48.2Very low45.1Very low46 Ų4693.3 Ų93.332%0.32244%0.437SS..Hα-helixtrans-66.6-20.9174.1177.70000113.8S776 L778S776-S780 WeakPolarHBondContact O-CB 3.46Å; S776-S780 PolarHBondContact O-N 3.38Å; L778-S780 VanDerWaalsContact C-N 3.33Å; L778-S780 PolarHBondContact O-N 2.87Å
781Y43.8Very low44.8Very low73 Ų7391.2 Ų91.229%0.28644%0.435SS..Hα-helixtrans-80.8-46.4172.7-173.8-84.9000111.2W743 I777 L778 A779 R784 T785 L832W743-Y781 AromaticContact CH2-CD2 3.95Å; W743-Y781 HydrophobicContact CH2-CD2 3.95Å; W743-Y781 AromaticContact CH2-CE2 3.82Å; W743-Y781 HydrophobicContact CH2-CE2 3.82Å; W743-Y781 HydrophobicContact CZ3-CE2 4.32Å; I777-Y781 PolarHBondContact O-N 3.48Å; L778-Y781 WeakPolarHBondContact O-CA 3.22Å; L778-Y781 WeakPolarHBondContact O-CB 3.46Å; L778-Y781 PolarHBondContact O-N 2.93Å; A779-Y781 PolarHBondContact O-N 3.39Å; Y781-R784 PolarHBondContact O-N 3.02Å; Y781-T785 PolarHBondContact O-N 3.47Å; Y781-T785 PolarHBondContact O-OG1 3.25Å; Y781-L832 HydrophobicContact CE1-CD2 3.9Å; Y781-L832 WeakPolarHBondContact OH-CD2 3.27Å
782R44.1Very low44.3Very low96 Ų9691.8 Ų91.836%0.36243%0.432SS..Hα-helixtrans-54.9-58175-176.8-180-68.5-165.32.9110.7L778 A779 R784 T785 E786 E835L778-R782 PolarHBondContact O-N 3.14Å; A779-R782 PolarHBondContact O-N 3.48Å; R782-R784 VanDerWaalsContact C-N 3.26Å; R782-R784 PolarHBondContact O-N 3.37Å; R782-R784 VanDerWaalsContact O-N 3.09Å; R782-T785 WeakPolarHBondContact O-CA 3.11Å; R782-T785 WeakPolarHBondContact O-CB 3.33Å; R782-T785 PolarHBondContact O-N 3.08Å; R782-E786 WeakPolarHBondContact CD-OE1 3.46Å; R782-E786 HydrophobicContact CG-CG 4.26Å; R782-E786 WeakPolarHBondContact CG-OE1 3.39Å; R782-E786 WeakPolarHBondContact O-CG 3.3Å; R782-E786 PolarHBondContact O-N 3.38Å; R782-E835 IonicContact CZ-OE1 2.71Å; R782-E835 IonicContact CZ-OE2 2.7Å; R782-E835 IonicContact NH1-OE2 3.55Å; R782-E835 PolarHBondContact NH1-OE2 2.86Å; R782-E835 IonicContact NH2-OE1 3.48Å; R782-E835 PolarHBondContact NH2-OE1 2.86Å; R782-E835 IonicContact NH2-OE2 3.35Å; R782-E835 PolarHBondContact NH2-OE2 3.38Å
783Q47.9Very low43.5Very low99 Ų9990.5 Ų90.546%0.46344%0.436SS..Hα-helixtrans-58.3-30.1-177.2-167.6-17564.400115A779 E786 R787A779-Q783 PolarHBondContact O-N 3.32Å; Q783-E786 VanDerWaalsContact CA-OE2 3.25Å; Q783-E786 WeakPolarHBondContact CA-OE2 3.45Å; Q783-R787 WeakPolarHBondContact O-CG 3.16Å; Q783-R787 PolarHBondContact O-N 3.04Å
784R46.2Very low42.4Very low158 Ų15886.3 Ų86.360%0.59643%0.433SS*.Hα-helixtrans-85.8-15.4176.9-81.2-177.2168.1150-4.2113.7Y781 R782Y781-R784 PolarHBondContact O-N 3.02Å; R782-R784 VanDerWaalsContact C-N 3.26Å; R782-R784 PolarHBondContact O-N 3.37Å; R782-R784 VanDerWaalsContact O-N 3.09Å
785T39.7Very low41.7Very low14 Ų1486.6 Ų86.69%0.08643%0.434CS..Hα-helixtrans-87.6-42173.5-52.30000110.1Y781 R782 M788 F789 L832Y781-T785 PolarHBondContact O-N 3.47Å; Y781-T785 PolarHBondContact O-OG1 3.25Å; R782-T785 WeakPolarHBondContact O-CA 3.11Å; R782-T785 WeakPolarHBondContact O-CB 3.33Å; R782-T785 PolarHBondContact O-N 3.08Å; T785-M788 WeakPolarHBondContact O-CA 3.2Å; T785-M788 VanDerWaalsContact O-CB 3.3Å; T785-M788 WeakPolarHBondContact O-CB 3.48Å; T785-M788 PolarHBondContact O-N 3.27Å; T785-F789 HydrophobicContact CG2-CD2 3.98Å; T785-F789 HydrophobicContact CG2-CE2 3.89Å; T785-F789 WeakPolarHBondContact O-CD2 3.33Å; T785-F789 PolarHBondContact O-N 3.44Å; T785-F789 VanDerWaalsContact O-N 3.07Å; T785-L832 HydrophobicContact CG2-CB 3.91Å; T785-L832 HydrophobicContact CG2-CD1 3.8Å; T785-L832 HydrophobicContact CG2-CG 4.3Å
786E41.8Very low41.2Very low68 Ų6888.6 Ų88.632%0.31845%0.448SS..Hα-helixtrans-49.7-60.2169.6-70.3166.9163.200110.5R782 Q783 M788 F789 E790 H833R782-E786 WeakPolarHBondContact CD-OE1 3.46Å; R782-E786 HydrophobicContact CG-CG 4.26Å; R782-E786 WeakPolarHBondContact CG-OE1 3.39Å; R782-E786 WeakPolarHBondContact O-CG 3.3Å; R782-E786 PolarHBondContact O-N 3.38Å; Q783-E786 VanDerWaalsContact CA-OE2 3.25Å; Q783-E786 WeakPolarHBondContact CA-OE2 3.45Å; E786-M788 PolarHBondContact O-N 3.13Å; E786-F789 PolarHBondContact O-N 2.99Å; E786-E790 WeakPolarHBondContact O-CB 3.03Å; E786-E790 VanDerWaalsContact O-CG 3.31Å; E786-E790 WeakPolarHBondContact O-CG 3.33Å; E786-E790 PolarHBondContact O-N 2.88Å; E786-H833 WeakPolarHBondContact CG-CE1 3.29Å; E786-H833 IonicContact OE1-CE1 3.16Å; E786-H833 PolarHBondContact OE1-CE1 2.86Å
787R45.6Very low40.2Very low154 Ų15491.9 Ų91.958%0.58145%0.449SS*.Hα-helixtrans-57.7-18.6176.9-69.4178.8-172.4-173.95.4115.2Q783 E790Q783-R787 WeakPolarHBondContact O-CG 3.16Å; Q783-R787 PolarHBondContact O-N 3.04Å; R787-E790 VanDerWaalsContact CA-OE2 3.27Å; R787-E790 WeakPolarHBondContact CA-OE2 3.38Å; R787-E790 WeakPolarHBondContact CG-OE2 3.41Å
788M40.7Very low39.6Very low94 Ų9493.7 Ų93.746%0.46346%0.456SS..Hα-helixtrans-81.2-45.3174.5-155.5-178.8-48.400110.6T785 E786 S791T785-M788 WeakPolarHBondContact O-CA 3.2Å; T785-M788 VanDerWaalsContact O-CB 3.3Å; T785-M788 WeakPolarHBondContact O-CB 3.48Å; T785-M788 PolarHBondContact O-N 3.27Å; E786-M788 PolarHBondContact O-N 3.13Å; M788-S791 PolarHBondContact O-N 2.93Å; M788-S791 PolarHBondContact O-OG 2.87Å
789F38.2Very low39.2Very low47 Ų4792.2 Ų92.221%0.20645%0.451CS..Hα-helixtrans-72.6-37.4175.8-77.3-77.6000113.1T785 E786 S791 W792 T793 A829 L832T785-F789 HydrophobicContact CG2-CD2 3.98Å; T785-F789 HydrophobicContact CG2-CE2 3.89Å; T785-F789 WeakPolarHBondContact O-CD2 3.33Å; T785-F789 PolarHBondContact O-N 3.44Å; T785-F789 VanDerWaalsContact O-N 3.07Å; E786-F789 PolarHBondContact O-N 2.99Å; F789-S791 PolarHBondContact O-N 3.46Å; F789-S791 VanDerWaalsContact O-N 3.17Å; F789-W792 HydrophobicContact CD1-CE3 4.5Å; F789-W792 HydrophobicContact CE1-CE3 4.45Å; F789-W792 WeakPolarHBondContact O-CA 3.33Å; F789-W792 WeakPolarHBondContact O-CB 3.47Å; F789-W792 PolarHBondContact O-N 3.5Å; F789-T793 PolarHBondContact O-N 3Å; F789-T793 PolarHBondContact O-OG1 2.83Å; F789-A829 HydrophobicContact CD1-CB 4.3Å; F789-A829 HydrophobicContact CE1-CB 3.73Å; F789-A829 HydrophobicContact CE2-CB 4.44Å; F789-A829 HydrophobicContact CZ-CB 3.81Å; F789-L832 HydrophobicContact CE2-CD1 4.04Å; F789-L832 HydrophobicContact CZ-CD1 4.49Å
790E40.7Very low38.3Very low117 Ų11793.1 Ų93.155%0.54745%0.448SS..THydrogen-bonded Turntrans-57-26169.2-70.5171.7163.900112.5E786 R787 W792 P794E786-E790 WeakPolarHBondContact O-CB 3.03Å; E786-E790 VanDerWaalsContact O-CG 3.31Å; E786-E790 WeakPolarHBondContact O-CG 3.33Å; E786-E790 PolarHBondContact O-N 2.88Å; R787-E790 VanDerWaalsContact CA-OE2 3.27Å; R787-E790 WeakPolarHBondContact CA-OE2 3.38Å; R787-E790 WeakPolarHBondContact CG-OE2 3.41Å; E790-W792 VanDerWaalsContact C-N 3.31Å; E790-P794 WeakPolarHBondContact O-CD 3.45Å; E790-P794 WeakPolarHBondContact O-CG 3.4Å
791S39.4Very low37.5Very low67 Ų6793.6 Ų93.647%0.46945%0.45SS..THydrogen-bonded Turntrans-84.1-4.6174.879.70000113.9M788 F789M788-S791 PolarHBondContact O-N 2.93Å; M788-S791 PolarHBondContact O-OG 2.87Å; F789-S791 PolarHBondContact O-N 3.46Å; F789-S791 VanDerWaalsContact O-N 3.17Å
792W33.9Very low37Very low114 Ų11495.3 Ų95.343%0.43246%0.461SS..THydrogen-bonded Turntrans-112.3-31.8-177.5-69.617.9000112.9F789 E790 L825F789-W792 HydrophobicContact CD1-CE3 4.5Å; F789-W792 HydrophobicContact CE1-CE3 4.45Å; F789-W792 WeakPolarHBondContact O-CA 3.33Å; F789-W792 WeakPolarHBondContact O-CB 3.47Å; F789-W792 PolarHBondContact O-N 3.5Å; E790-W792 VanDerWaalsContact C-N 3.31Å; W792-L825 HydrophobicContact CH2-CD2 4.28Å; W792-L825 HydrophobicContact CZ3-CD1 4.02Å; W792-L825 HydrophobicContact CZ3-CD2 3.93Å; W792-L825 HydrophobicContact CZ3-CG 4.36Å
793T33.8Very low36.5Very low110 Ų11093.3 Ų93.368%0.67546%0.459SS*.THydrogen-bonded Turntrans-67.8-32.5179.947.10000115.8F789 L795F789-T793 PolarHBondContact O-N 3Å; F789-T793 PolarHBondContact O-OG1 2.83Å; T793-L795 PolarHBondContact O-N 2.91Å; T793-L795 VanDerWaalsContact O-N 3.08Å
794P24.8Very low35.7Very low96 Ų9694.8 Ų94.862%0.62347%0.47SS*.THydrogen-bonded Turntrans-73.92.1-179.6-17.232.3000114.7E790E790-P794 WeakPolarHBondContact O-CD 3.45Å; E790-P794 WeakPolarHBondContact O-CG 3.4Å
795L29.5Very low34.7Very low78 Ų7893.3 Ų93.341%0.40848%0.478SS..SBendtrans-100.692.5-178.7-80.9165.9000111.1V198 T793 W797V198-L795 HydrophobicContact CB-CD1 4.04Å; V198-L795 HydrophobicContact CB-CD2 4.31Å; V198-L795 HydrophobicContact CG1-CD1 3.91Å; V198-L795 HydrophobicContact CG2-CD1 4.19Å; T793-L795 PolarHBondContact O-N 2.91Å; T793-L795 VanDerWaalsContact O-N 3.08Å; L795-W797 VanDerWaalsContact O-CD1 3.25Å; L795-W797 PolarHBondContact O-N 2.89Å
796N35.9Very low34.1Very low135 Ų13595.9 Ų95.972%0.72251%0.507SS*.  trans-34.5105.5163.9-75.1-20.6000112.3P799N796-P799 HydrophobicContact CB-CG 3.98Å; N796-P799 WeakPolarHBondContact O-CD 3.42Å
797W32.2Very low33.4Very low147 Ų147100.8 Ų100.856%0.55753%0.53SS*.SBendtrans-79-26171.5-75.193.4000112.3L795 L800 C801L795-W797 VanDerWaalsContact O-CD1 3.25Å; L795-W797 PolarHBondContact O-N 2.89Å; W797-L800 HydrophobicContact CE3-CD2 3.71Å; W797-L800 HydrophobicContact CZ3-CD2 3.6Å; W797-L800 WeakPolarHBondContact O-CB 3.35Å; W797-L800 PolarHBondContact O-N 3.15Å; W797-C801 PolarHBondContact O-N 2.85Å; W797-C801 VanDerWaalsContact O-N 3.17Å
798E32.8Very low32.5Very low107 Ų10799.6 Ų99.650%0.554%0.542SS..Hα-helixtrans-54.4-46.9-178-149.9-169.7147.200113.1L800 C801 Q802 K861E798-L800 VanDerWaalsContact C-N 3.29Å; E798-L800 PolarHBondContact O-N 2.95Å; E798-C801 PolarHBondContact O-N 3.23Å; E798-Q802 VanDerWaalsContact O-CG 3.32Å; E798-Q802 WeakPolarHBondContact O-CG 3.48Å; E798-Q802 PolarHBondContact O-N 3.28Å; E798-Q802 PolarHBondContact OE1-NE2 2.99Å; E798-Q802 VanDerWaalsContact OE1-NE2 3.17Å; E798-K861 IonicContact OE1-NZ 3.41Å; E798-K861 PolarHBondContact OE1-NZ 3.42Å
799P34.5Very low31.7Very low57 Ų5799.8 Ų99.837%0.3755%0.552SS.*Hα-helixtrans-68.4-24.3176.8-19.734.4000113.7N796 T803N796-P799 HydrophobicContact CB-CG 3.98Å; N796-P799 WeakPolarHBondContact O-CD 3.42Å; P799-T803 VanDerWaalsContact O-CB 3.29Å; P799-T803 WeakPolarHBondContact O-CB 3.14Å; P799-T803 PolarHBondContact O-N 3.1Å; P799-T803 PolarHBondContact O-OG1 2.92Å
800L31.4Very low31Very low79 Ų79102.8 Ų102.841%0.41459%0.586SS.*Hα-helixtrans-71.3-42.4176.6-164.975.3000110.2W797 E798 T803W797-L800 HydrophobicContact CE3-CD2 3.71Å; W797-L800 HydrophobicContact CZ3-CD2 3.6Å; W797-L800 WeakPolarHBondContact O-CB 3.35Å; W797-L800 PolarHBondContact O-N 3.15Å; E798-L800 VanDerWaalsContact C-N 3.29Å; E798-L800 PolarHBondContact O-N 2.95Å; L800-T803 PolarHBondContact O-N 2.75Å
801C30.7Very low30.1Very low55 Ų55104.6 Ų104.637%0.37260%0.596SS.*Hα-helixtrans-65.1-46.4172.4-61.80000111.6W797 E798 T803 L804 V805W797-C801 PolarHBondContact O-N 2.85Å; W797-C801 VanDerWaalsContact O-N 3.17Å; E798-C801 PolarHBondContact O-N 3.23Å; C801-T803 PolarHBondContact O-N 2.79Å; C801-L804 WeakPolarHBondContact O-CB 3.43Å; C801-L804 PolarHBondContact O-N 2.93Å; C801-V805 PolarHBondContact O-N 2.83Å
802Q32.7Very low29.2Very low110 Ų110108 Ų10851%0.51461%0.614SS.*Hα-helixtrans-61.8-30.5176-691696.900112.7E798 L804 V805E798-Q802 VanDerWaalsContact O-CG 3.32Å; E798-Q802 WeakPolarHBondContact O-CG 3.48Å; E798-Q802 PolarHBondContact O-N 3.28Å; E798-Q802 PolarHBondContact OE1-NE2 2.99Å; E798-Q802 VanDerWaalsContact OE1-NE2 3.17Å; Q802-L804 PolarHBondContact O-N 2.75Å; Q802-V805 CarbonylContact O-C 3.54Å; Q802-V805 PolarHBondContact O-N 3.34Å
803T35Very low28.6Very low54 Ų54108 Ų10833%0.33162%0.622SS.*THydrogen-bonded Turntrans-71.7-15.2176.5-60.20000113.2P799 L800 C801P799-T803 VanDerWaalsContact O-CB 3.29Å; P799-T803 WeakPolarHBondContact O-CB 3.14Å; P799-T803 PolarHBondContact O-N 3.1Å; P799-T803 PolarHBondContact O-OG1 2.92Å; L800-T803 PolarHBondContact O-N 2.75Å; C801-T803 PolarHBondContact O-N 2.79Å
804L29.2Very low28.1Very low130 Ų130108.6 Ų108.668%0.68162%0.62SS**THydrogen-bonded Turntrans-90.1-14.9171.9-69.9166.9000113.3C801 Q802C801-L804 WeakPolarHBondContact O-CB 3.43Å; C801-L804 PolarHBondContact O-N 2.93Å; Q802-L804 PolarHBondContact O-N 2.75Å
805V26.9Very low28.1Very low127 Ų127110.2 Ų110.277%0.7762%0.622SS**SBendtrans-12383.5-176.9-173.40000109.4C801 Q802C801-V805 PolarHBondContact O-N 2.83Å; Q802-V805 CarbonylContact O-C 3.54Å; Q802-V805 PolarHBondContact O-N 3.34Å
806G26.1Very low27.9Very low67 Ų67114.2 Ų114.269%0.69163%0.632SS**  trans-123.3123-175.700000113.6
807Q27.4Very low28.1Very low172 Ų172112.5 Ų112.580%0.80462%0.62SS**  trans73130.2-179.8-63.4-65.2-11.100116.7S809Q807-S809 PolarHBondContact O-N 2.72Å
808P26.7Very low28.2Very low129 Ų129109 Ų10984%0.83862%0.615SS**  trans-93.472.3-173.437.9-35.1000112.6
809S23.5Very low28.2Very low97 Ų97106.8 Ų106.868%0.67861%0.608SS**SBendtrans-140.995.4176.7400000113.4Q807 M811Q807-S809 PolarHBondContact O-N 2.72Å; S809-M811 PolarHBondContact O-N 3.23Å
810A23.4Very low28.2Very low110 Ų110107.7 Ų107.791%0.90962%0.615SS**SBendtrans5449.8156.800000118.5
811M21.8Very low28.4Very low156 Ų156108 Ų10877%0.76862%0.617SS**  trans-144114.1155.7-144.6176.3-165.900112.6S809 I813S809-M811 PolarHBondContact O-N 3.23Å; M811-I813 VanDerWaalsContact C-N 3.25Å; M811-I813 HydrophobicContact CG-CD1 4.3Å; M811-I813 HydrophobicContact CG-CG1 4.31Å; M811-I813 PolarHBondContact O-N 2.73Å; M811-I813 HydrophobicContact SD-CD1 3.95Å
812T21.7Very low28.7Very low137 Ų137110.5 Ų110.584%0.8462%0.623SS**  trans-82.356.2-169.9-37.50000113.2L814T812-L814 PolarHBondContact O-N 2.9Å; T812-L814 VanDerWaalsContact O-N 3.15Å
813I21.5Very low28.9Very low116 Ų116108.4 Ų108.460%0.59561%0.612SS**  trans-84.487.5178.3-64.1178.2000109.4M811 I815M811-I813 VanDerWaalsContact C-N 3.25Å; M811-I813 HydrophobicContact CG-CD1 4.3Å; M811-I813 HydrophobicContact CG-CG1 4.31Å; M811-I813 PolarHBondContact O-N 2.73Å; M811-I813 HydrophobicContact SD-CD1 3.95Å; I813-I815 HydrophobicContact CG2-CD1 3.86Å; I813-I815 HydrophobicContact CG2-CG1 3.85Å; I813-I815 PolarHBondContact O-N 3.06Å; I813-I815 VanDerWaalsContact O-N 3.08Å
814L23Very low29.1Very low122 Ų122110.1 Ų110.164%0.63962%0.615SS**  trans-84.566.2-174.2-159.591000112.7T812 R816T812-L814 PolarHBondContact O-N 2.9Å; T812-L814 VanDerWaalsContact O-N 3.15Å; L814-R816 HydrophobicContact CD2-CG 4.16Å; L814-R816 HydrophobicContact CG-CG 4.38Å; L814-R816 PolarHBondContact O-N 3.14Å
815I24.8Very low29.4Very low130 Ų130106.2 Ų106.267%0.66760%0.595SS**  trans-69101.7176.3-64.6165.9000109.6I813I813-I815 HydrophobicContact CG2-CD1 3.86Å; I813-I815 HydrophobicContact CG2-CG1 3.85Å; I813-I815 PolarHBondContact O-N 3.06Å; I813-I815 VanDerWaalsContact O-N 3.08Å
816R25.5Very low30.1Very low161 Ų161104.7 Ų104.761%0.60858%0.575SS**  trans-95.7-6.4-176.5-98.9-178.2163171-6.6115.5L814 N855L814-R816 HydrophobicContact CD2-CG 4.16Å; L814-R816 HydrophobicContact CG-CG 4.38Å; L814-R816 PolarHBondContact O-N 3.14Å; R816-N855 PolarHBondContact NH2-OD1 2.74Å
817E38.5Very low30.7Very low100 Ų100105.1 Ų105.147%0.46756%0.556SS.*  trans-123.652.1-152.5-58.5-171.3153.600115
818T34.2Very low31.1Very low74 Ų7498.9 Ų98.945%0.45453%0.531SS..SBendtrans-74.4-17.7162.445.90000113C820 Q822T818-C820 PolarHBondContact O-N 3Å; T818-Q822 PolarHBondContact O-N 2.98Å
819T34.3Very low31.5Very low59 Ų5994 Ų9436%0.36250%0.502SS..Hα-helixtrans-61.3-42.8-172.148.50000113.9L821 Q822 F823T819-L821 VanDerWaalsContact C-N 3.35Å; T819-L821 PolarHBondContact O-N 2.74Å; T819-Q822 PolarHBondContact O-N 3.38Å; T819-F823 VanDerWaalsContact O-CB 3.28Å; T819-F823 WeakPolarHBondContact O-CB 3.3Å; T819-F823 PolarHBondContact O-N 3.16Å
820C33.8Very low32.2Very low76 Ų7691.3 Ų91.351%0.51448%0.479SS..Hα-helixtrans-61.7-38.6-175.5-66.40000113.3T818 F824T818-C820 PolarHBondContact O-N 3Å; C820-F824 PolarHBondContact O-N 3.16Å
821L35.2Very low32.8Very low87 Ų8791.4 Ų91.446%0.45546%0.464SS..Hα-helixtrans-73.4-40.9177.8-171.367.7000111.2T819 F824 L825T819-L821 VanDerWaalsContact C-N 3.35Å; T819-L821 PolarHBondContact O-N 2.74Å; L821-F824 PolarHBondContact O-N 3.38Å; L821-L825 HydrophobicContact CG-CD1 4.35Å; L821-L825 WeakPolarHBondContact O-CG 3.3Å; L821-L825 PolarHBondContact O-N 3.22Å
822Q36.6Very low33.3Very low107 Ų10786.8 Ų86.850%0.544%0.442SS..Hα-helixtrans-59.6-48.5173.6-70.5176.1-42.300110.8T818 T819 F824 L825 W826T818-Q822 PolarHBondContact O-N 2.98Å; T819-Q822 PolarHBondContact O-N 3.38Å; Q822-F824 PolarHBondContact O-N 3.16Å; Q822-L825 PolarHBondContact O-N 2.81Å; Q822-W826 WeakPolarHBondContact O-CB 3.47Å; Q822-W826 PolarHBondContact O-N 2.87Å
823F37.4Very low33.9Very low66 Ų6682.3 Ų82.329%0.28941%0.412SS..Hα-helixtrans-57.8-43179.9-172.7-98.5000112.8T819 R827 I847T819-F823 VanDerWaalsContact O-CB 3.28Å; T819-F823 WeakPolarHBondContact O-CB 3.3Å; T819-F823 PolarHBondContact O-N 3.16Å; F823-R827 WeakPolarHBondContact O-CB 3.3Å; F823-R827 PolarHBondContact O-N 3.26Å; F823-I847 HydrophobicContact CD2-CG2 4.39Å; F823-I847 HydrophobicContact CE2-CG2 3.93Å
824F38.7Very low34.6Very low89 Ų8981.8 Ų81.839%0.3942%0.416SS..Hα-helixtrans-62.6-45.9175.6178-102.6000112.4C820 L821 Q822 R827 C828C820-F824 PolarHBondContact O-N 3.16Å; L821-F824 PolarHBondContact O-N 3.38Å; Q822-F824 PolarHBondContact O-N 3.16Å; F824-R827 PolarHBondContact O-N 3.14Å; F824-C828 PolarHBondContact O-N 3.22Å; F824-C828 VanDerWaalsContact O-N 3.1Å; F824-C828 PolarHBondContact O-SG 3.44Å
825L37.4Very low35.3Very low49 Ų4982.6 Ų82.626%0.25742%0.416SS..Hα-helixtrans-72.8-34.7-178.1-59.1177.4000112.2W792 L821 Q822 C828 A829W792-L825 HydrophobicContact CH2-CD2 4.28Å; W792-L825 HydrophobicContact CZ3-CD1 4.02Å; W792-L825 HydrophobicContact CZ3-CD2 3.93Å; W792-L825 HydrophobicContact CZ3-CG 4.36Å; L821-L825 HydrophobicContact CG-CD1 4.35Å; L821-L825 WeakPolarHBondContact O-CG 3.3Å; L821-L825 PolarHBondContact O-N 3.22Å; Q822-L825 PolarHBondContact O-N 2.81Å; L825-C828 WeakPolarHBondContact O-CB 3.33Å; L825-C828 PolarHBondContact O-N 3.2Å; L825-A829 PolarHBondContact O-N 3Å
826W41.3Very low35.7Very low94 Ų9477.7 Ų77.736%0.35640%0.398SS..Hα-helixtrans-64.8-40.6171.6-120.383.8000112Q822 C828 A829 L830 L840 H843 I847Q822-W826 WeakPolarHBondContact O-CB 3.47Å; Q822-W826 PolarHBondContact O-N 2.87Å; W826-C828 VanDerWaalsContact C-N 3.28Å; W826-C828 PolarHBondContact O-N 3.44Å; W826-A829 PolarHBondContact O-N 2.91Å; W826-L830 HydrophobicContact CE3-CD1 3.62Å; W826-L830 HydrophobicContact CE3-CD2 4.49Å; W826-L830 HydrophobicContact CE3-CG 3.92Å; W826-L830 HydrophobicContact CZ3-CD1 3.96Å; W826-L830 HydrophobicContact CZ3-CD2 4.16Å; W826-L830 HydrophobicContact CZ3-CG 4.1Å; W826-L830 PolarHBondContact O-N 3.31Å; W826-L840 HydrophobicContact CE3-CD2 4.46Å; W826-L840 HydrophobicContact CH2-CD2 3.42Å; W826-L840 VanDerWaalsContact CH2-CD2 3.42Å; W826-L840 HydrophobicContact CH2-CG 3.73Å; W826-L840 HydrophobicContact CZ2-CD2 4.31Å; W826-L840 HydrophobicContact CZ2-CG 4.43Å; W826-L840 HydrophobicContact CZ3-CD2 3.51Å; W826-L840 HydrophobicContact CZ3-CG 4.32Å; W826-H843 HydrophobicContact CH2-CB 3.72Å; W826-H843 HydrophobicContact CZ3-CB 4.39Å; W826-I847 HydrophobicContact CD2-CD1 4.06Å; W826-I847 HydrophobicContact CE3-CD1 3.41Å; W826-I847 VanDerWaalsContact CE3-CD1 3.41Å; W826-I847 HydrophobicContact CH2-CD1 3.97Å; W826-I847 HydrophobicContact CZ3-CD1 3.36Å
827R37.8Very low36.3Very low77 Ų7773.3 Ų73.329%0.29139%0.392SS..Hα-helixtrans-60.6-37.6171.8-110.4-179.7-177.5163.89.3112.2F823 F824 L831F823-R827 WeakPolarHBondContact O-CB 3.3Å; F823-R827 PolarHBondContact O-N 3.26Å; F824-R827 PolarHBondContact O-N 3.14Å; R827-L831 WeakPolarHBondContact O-CB 3.42Å; R827-L831 WeakPolarHBondContact O-CD1 3.41Å; R827-L831 VanDerWaalsContact O-CG 3.25Å; R827-L831 WeakPolarHBondContact O-CG 3.36Å; R827-L831 PolarHBondContact O-N 2.8Å; R827-L831 VanDerWaalsContact O-N 3.11Å
828C35.5Very low36.4Very low41 Ų4171.4 Ų71.428%0.27738%0.382SS..Hα-helixtrans-66.4-41.9174.3-650000111.9F824 L825 W826 L831 L832F824-C828 PolarHBondContact O-N 3.22Å; F824-C828 VanDerWaalsContact O-N 3.1Å; F824-C828 PolarHBondContact O-SG 3.44Å; L825-C828 WeakPolarHBondContact O-CB 3.33Å; L825-C828 PolarHBondContact O-N 3.2Å; W826-C828 VanDerWaalsContact C-N 3.28Å; W826-C828 PolarHBondContact O-N 3.44Å; C828-L831 PolarHBondContact O-N 2.94Å; C828-L832 WeakPolarHBondContact O-CB 3.26Å; C828-L832 VanDerWaalsContact O-CD1 3.25Å; C828-L832 WeakPolarHBondContact O-CD1 3.06Å; C828-L832 WeakPolarHBondContact O-CG 3.23Å; C828-L832 PolarHBondContact O-N 2.86Å
829A36.1Very low36.7Very low27 Ų2768.7 Ų68.722%0.22337%0.366CS..Hα-helixtrans-60.2-52.2176.500000111.9F789 L825 W826 L831 L832 H833F789-A829 HydrophobicContact CD1-CB 4.3Å; F789-A829 HydrophobicContact CE1-CB 3.73Å; F789-A829 HydrophobicContact CE2-CB 4.44Å; F789-A829 HydrophobicContact CZ-CB 3.81Å; L825-A829 PolarHBondContact O-N 3Å; W826-A829 PolarHBondContact O-N 2.91Å; A829-L831 PolarHBondContact O-N 3.2Å; A829-L832 PolarHBondContact O-N 3.49Å; A829-H833 PolarHBondContact O-N 3Å
830L36.9Very low37Very low39 Ų3968.6 Ų68.620%0.20436%0.363CS..Hα-helixtrans-56.4-44.2177.6-77.1163.5000113.1W826 L832 H833 L840 W844W826-L830 HydrophobicContact CE3-CD1 3.62Å; W826-L830 HydrophobicContact CE3-CD2 4.49Å; W826-L830 HydrophobicContact CE3-CG 3.92Å; W826-L830 HydrophobicContact CZ3-CD1 3.96Å; W826-L830 HydrophobicContact CZ3-CD2 4.16Å; W826-L830 HydrophobicContact CZ3-CG 4.1Å; W826-L830 PolarHBondContact O-N 3.31Å; L830-L832 PolarHBondContact O-N 3.47Å; L830-H833 PolarHBondContact O-N 3.39Å; L830-L840 HydrophobicContact CD2-CD2 3.63Å; L830-L840 HydrophobicContact CG-CD2 4.41Å; L830-W844 HydrophobicContact CD2-CB 4.28Å; L830-W844 HydrophobicContact CD2-CG 4.39Å
831L37.6Very low37.6Very low113 Ų11366 Ų6659%0.59234%0.344SS*.Hα-helixtrans-68.4-11.8179-74.9170.6000113.8R827 C828 A829R827-L831 WeakPolarHBondContact O-CB 3.42Å; R827-L831 WeakPolarHBondContact O-CD1 3.41Å; R827-L831 VanDerWaalsContact O-CG 3.25Å; R827-L831 WeakPolarHBondContact O-CG 3.36Å; R827-L831 PolarHBondContact O-N 2.8Å; R827-L831 VanDerWaalsContact O-N 3.11Å; C828-L831 PolarHBondContact O-N 2.94Å; A829-L831 PolarHBondContact O-N 3.2Å
832L31.8Very low37.9Very low59 Ų5962.3 Ų62.331%0.30933%0.326SS..Hα-helixtrans-110.3-18.3-178.8-65.7168.1000113Y781 T785 F789 C828 A829 L830Y781-L832 HydrophobicContact CE1-CD2 3.9Å; Y781-L832 WeakPolarHBondContact OH-CD2 3.27Å; T785-L832 HydrophobicContact CG2-CB 3.91Å; T785-L832 HydrophobicContact CG2-CD1 3.8Å; T785-L832 HydrophobicContact CG2-CG 4.3Å; F789-L832 HydrophobicContact CE2-CD1 4.04Å; F789-L832 HydrophobicContact CZ-CD1 4.49Å; C828-L832 WeakPolarHBondContact O-CB 3.26Å; C828-L832 VanDerWaalsContact O-CD1 3.25Å; C828-L832 WeakPolarHBondContact O-CD1 3.06Å; C828-L832 WeakPolarHBondContact O-CG 3.23Å; C828-L832 PolarHBondContact O-N 2.86Å; A829-L832 PolarHBondContact O-N 3.49Å; L830-L832 PolarHBondContact O-N 3.47Å
833H33.8Very low38.2Very low42 Ų4259 Ų5919%0.19431%0.31CS..  trans-130.275.4-178.6-82.1-86.5000113.1E786 A829 L830 E835 G836E786-H833 WeakPolarHBondContact CG-CE1 3.29Å; E786-H833 IonicContact OE1-CE1 3.16Å; E786-H833 PolarHBondContact OE1-CE1 2.86Å; A829-H833 PolarHBondContact O-N 3Å; L830-H833 PolarHBondContact O-N 3.39Å; H833-E835 PolarHBondContact O-N 3.35Å; H833-G836 PolarHBondContact O-N 2.87Å
834P36.9Very low38.8Very low105 Ų10556.9 Ų56.968%0.68230%0.3SS*.THydrogen-bonded Turntrans-71-4.1176.731-37.1000114.7
835E37Very low39Very low139 Ų13953 Ų5365%0.6528%0.284SS*.THydrogen-bonded Turntrans-120.812.8179.2-68.9160-131.500111.7R782 H833 S837R782-E835 IonicContact CZ-OE1 2.71Å; R782-E835 IonicContact CZ-OE2 2.7Å; R782-E835 IonicContact NH1-OE2 3.55Å; R782-E835 PolarHBondContact NH1-OE2 2.86Å; R782-E835 IonicContact NH2-OE1 3.48Å; R782-E835 PolarHBondContact NH2-OE1 2.86Å; R782-E835 IonicContact NH2-OE2 3.35Å; R782-E835 PolarHBondContact NH2-OE2 3.38Å; H833-E835 PolarHBondContact O-N 3.35Å; E835-S837 PolarHBondContact O-N 3.17Å
836G34.5Very low39.4Very low27 Ų2751.8 Ų51.828%0.27828%0.278SS..SBendtrans-8999.9-171.800000114H833 L840H833-G836 PolarHBondContact O-N 2.87Å; G836-L840 WeakPolarHBondContact O-CB 3.19Å; G836-L840 WeakPolarHBondContact O-CD1 3.22Å
837S37.3Very low39.6Very low70 Ų7048.5 Ų48.549%0.4927%0.267SS..  trans63.9138.4173.5-178.40000117.3E835 S839 L840E835-S837 PolarHBondContact O-N 3.17Å; S837-S839 PolarHBondContact OG-N 2.79Å; S837-S839 PolarHBondContact OG-OG 3.18Å; S837-L840 VanDerWaalsContact O-CB 3.29Å; S837-L840 WeakPolarHBondContact O-CB 3.32Å; S837-L840 PolarHBondContact O-N 3.25Å
838K39.6Very low39.8Very low60 Ų6046.7 Ų46.726%0.26126%0.262SS..SBendtrans-70-39.3176.3-69173.2-178.8173.90113L840 I841 D895K838-L840 PolarHBondContact O-N 2.94Å; K838-L840 VanDerWaalsContact O-N 3.16Å; K838-I841 WeakPolarHBondContact O-CB 3.37Å; K838-I841 PolarHBondContact O-N 3.42Å; K838-I841 VanDerWaalsContact O-N 3.16Å; K838-D895 VanDerWaalsContact CB-OD2 3.25Å; K838-D895 WeakPolarHBondContact CB-OD2 3.46Å; K838-D895 WeakPolarHBondContact CD-OD2 3.32Å
839S40.8Very low40.2Very low16 Ų1645.9 Ų45.911%0.11226%0.255CS..Hα-helixtrans-64.6-19.2175.566.60000113.1S837 H843 E865 S866S837-S839 PolarHBondContact OG-N 2.79Å; S837-S839 PolarHBondContact OG-OG 3.18Å; S839-H843 PolarHBondContact O-N 2.68Å; S839-H843 PolarHBondContact O-ND1 3.15Å; S839-H843 VanDerWaalsContact O-ND1 3.07Å; S839-E865 PolarHBondContact OG-O 3.21Å; S839-S866 WeakPolarHBondContact CB-O 3.43Å
840L42.2Very low40.2Very low57 Ų5745.9 Ų45.930%0.29826%0.257SS..Hα-helixtrans-76.5-23.1179.1-125.3139.4000112.5W826 L830 G836 S837 K838 W844W826-L840 HydrophobicContact CE3-CD2 4.46Å; W826-L840 HydrophobicContact CH2-CD2 3.42Å; W826-L840 VanDerWaalsContact CH2-CD2 3.42Å; W826-L840 HydrophobicContact CH2-CG 3.73Å; W826-L840 HydrophobicContact CZ2-CD2 4.31Å; W826-L840 HydrophobicContact CZ2-CG 4.43Å; W826-L840 HydrophobicContact CZ3-CD2 3.51Å; W826-L840 HydrophobicContact CZ3-CG 4.32Å; L830-L840 HydrophobicContact CD2-CD2 3.63Å; L830-L840 HydrophobicContact CG-CD2 4.41Å; G836-L840 WeakPolarHBondContact O-CB 3.19Å; G836-L840 WeakPolarHBondContact O-CD1 3.22Å; S837-L840 VanDerWaalsContact O-CB 3.29Å; S837-L840 WeakPolarHBondContact O-CB 3.32Å; S837-L840 PolarHBondContact O-N 3.25Å; K838-L840 PolarHBondContact O-N 2.94Å; K838-L840 VanDerWaalsContact O-N 3.16Å; L840-W844 WeakPolarHBondContact O-CB 3.38Å; L840-W844 PolarHBondContact O-N 3.18Å
841I45.3Very low40.2Very low23 Ų2345.5 Ų45.512%0.11826%0.255CS..Hα-helixtrans-66.2-49.1173.4-57.4179.2000110.3K838 W844 A845 F968K838-I841 WeakPolarHBondContact O-CB 3.37Å; K838-I841 PolarHBondContact O-N 3.42Å; K838-I841 VanDerWaalsContact O-N 3.16Å; I841-W844 WeakPolarHBondContact O-CB 3.44Å; I841-W844 PolarHBondContact O-N 3.47Å; I841-A845 PolarHBondContact O-N 3.1Å; I841-F968 HydrophobicContact CG1-CE2 4.18Å; I841-F968 HydrophobicContact CG2-CE2 4.06Å
842A42.1Very low40.1Very low8 Ų843.5 Ų43.57%0.06625%0.245CC..Hα-helixtrans-72.5-35.3-178.500000112.3A845 L846 A893 I923A842-A845 PolarHBondContact O-N 3.07Å; A842-L846 WeakPolarHBondContact O-CG 3.37Å; A842-L846 PolarHBondContact O-N 3.48Å; A842-L846 VanDerWaalsContact O-N 3.13Å; A842-A893 HydrophobicContact CB-CB 3.48Å; A842-A893 VanDerWaalsContact CB-CB 3.48Å; A842-I923 HydrophobicContact CB-CG2 4.49Å
843H43.3Very low40.2Very low38 Ų3845.5 Ų45.518%0.17626%0.263CS..Hα-helixtrans-59.4-44.9165.3-86.385.9000111.9W826 S839 A845 L846 I847 S868W826-H843 HydrophobicContact CH2-CB 3.72Å; W826-H843 HydrophobicContact CZ3-CB 4.39Å; S839-H843 PolarHBondContact O-N 2.68Å; S839-H843 PolarHBondContact O-ND1 3.15Å; S839-H843 VanDerWaalsContact O-ND1 3.07Å; H843-A845 VanDerWaalsContact C-N 3.29Å; H843-A845 PolarHBondContact O-N 2.98Å; H843-L846 PolarHBondContact O-N 3.09Å; H843-I847 WeakPolarHBondContact O-CB 3.45Å; H843-I847 WeakPolarHBondContact O-CD1 3.46Å; H843-I847 WeakPolarHBondContact O-CG1 3.44Å; H843-I847 PolarHBondContact O-N 3.29Å; H843-S868 PolarHBondContact CE1-OG 2.96Å; H843-S868 VanDerWaalsContact CE1-OG 3.26Å
844W48.4Very low40Very low22 Ų2245.2 Ų45.28%0.08327%0.266CS..Hα-helixtrans-58.9-39178.4170.390.8000112.5L830 L840 I841 I847 Q848 F968 R972L830-W844 HydrophobicContact CD2-CB 4.28Å; L830-W844 HydrophobicContact CD2-CG 4.39Å; L840-W844 WeakPolarHBondContact O-CB 3.38Å; L840-W844 PolarHBondContact O-N 3.18Å; I841-W844 WeakPolarHBondContact O-CB 3.44Å; I841-W844 PolarHBondContact O-N 3.47Å; W844-I847 PolarHBondContact O-N 3.07Å; W844-Q848 HydrophobicContact CD2-CG 4.05Å; W844-Q848 HydrophobicContact CE3-CG 4.44Å; W844-Q848 HydrophobicContact CH2-CG 3.77Å; W844-Q848 HydrophobicContact CZ2-CG 3.36Å; W844-Q848 HydrophobicContact CZ3-CG 4.31Å; W844-Q848 WeakPolarHBondContact O-CG 3.3Å; W844-Q848 PolarHBondContact O-N 3.35Å; W844-Q848 PolarHBondContact O-NE2 2.96Å; W844-Q848 VanDerWaalsContact O-NE2 3.07Å; W844-F968 HydrophobicContact CD2-CE1 4.19Å; W844-F968 AromaticContact CD2-CZ 3.9Å; W844-F968 HydrophobicContact CD2-CZ 3.9Å; W844-F968 HydrophobicContact CE3-CE1 4.32Å; W844-F968 AromaticContact CE3-CZ 3.86Å; W844-F968 HydrophobicContact CE3-CZ 3.86Å; W844-F968 HydrophobicContact CG-CZ 4.41Å; W844-F968 HydrophobicContact CH2-CE1 4.41Å; W844-F968 HydrophobicContact CZ2-CE1 4.2Å; W844-F968 HydrophobicContact CZ3-CE1 4.44Å; W844-F968 HydrophobicContact CZ3-CZ 4.28Å; W844-R972 HydrophobicContact CH2-CB 4.35Å; W844-R972 HydrophobicContact CH2-CG 3.78Å
845A44.4Very low39.5Very low6 Ų644.4 Ų44.45%0.0526%0.256CS..Hα-helixtrans-62.9-53.9174.400000111.4I841 A842 H843 I847 Q848 L849I841-A845 PolarHBondContact O-N 3.1Å; A842-A845 PolarHBondContact O-N 3.07Å; H843-A845 VanDerWaalsContact C-N 3.29Å; H843-A845 PolarHBondContact O-N 2.98Å; A845-I847 PolarHBondContact O-N 2.96Å; A845-I847 VanDerWaalsContact O-N 3.1Å; A845-Q848 PolarHBondContact O-N 2.76Å; A845-L849 WeakPolarHBondContact O-CG 3.45Å; A845-L849 PolarHBondContact O-N 3.02Å
846L45.5Very low39.2Very low24 Ų2442.7 Ų42.713%0.12625%0.248CC..Hα-helixtrans-53.7-33.2175.3-69.2170.3000112.8A842 H843 L851 I891A842-L846 WeakPolarHBondContact O-CG 3.37Å; A842-L846 PolarHBondContact O-N 3.48Å; A842-L846 VanDerWaalsContact O-N 3.13Å; H843-L846 PolarHBondContact O-N 3.09Å; L846-L851 HydrophobicContact CD2-CD1 4.05Å; L846-I891 HydrophobicContact CD2-CB 3.95Å; L846-I891 HydrophobicContact CD2-CD1 4.12Å; L846-I891 HydrophobicContact CD2-CG2 3.82Å
847I44.4Very low39Very low25 Ų2544.4 Ų44.413%0.12825%0.25CS..Hα-helixtrans-74.2-37.8176.1-66.1163.5000112.3F823 W826 H843 W844 A845 G850 L852F823-I847 HydrophobicContact CD2-CG2 4.39Å; F823-I847 HydrophobicContact CE2-CG2 3.93Å; W826-I847 HydrophobicContact CD2-CD1 4.06Å; W826-I847 HydrophobicContact CE3-CD1 3.41Å; W826-I847 VanDerWaalsContact CE3-CD1 3.41Å; W826-I847 HydrophobicContact CH2-CD1 3.97Å; W826-I847 HydrophobicContact CZ3-CD1 3.36Å; H843-I847 WeakPolarHBondContact O-CB 3.45Å; H843-I847 WeakPolarHBondContact O-CD1 3.46Å; H843-I847 WeakPolarHBondContact O-CG1 3.44Å; H843-I847 PolarHBondContact O-N 3.29Å; W844-I847 PolarHBondContact O-N 3.07Å; A845-I847 PolarHBondContact O-N 2.96Å; A845-I847 VanDerWaalsContact O-N 3.1Å; I847-G850 PolarHBondContact O-N 3.46Å; I847-L852 HydrophobicContact CB-CD1 4.45Å; I847-L852 HydrophobicContact CG1-CD1 3.78Å; I847-L852 HydrophobicContact CG2-CD1 4.35Å
848Q42.8Very low38.7Very low39 Ų3945.3 Ų45.318%0.18225%0.252CS..Hα-helixtrans-72.3-33.4178.5-65.6-22.5-86.600112.3W844 A845 G850W844-Q848 HydrophobicContact CD2-CG 4.05Å; W844-Q848 HydrophobicContact CE3-CG 4.44Å; W844-Q848 HydrophobicContact CH2-CG 3.77Å; W844-Q848 HydrophobicContact CZ2-CG 3.36Å; W844-Q848 HydrophobicContact CZ3-CG 4.31Å; W844-Q848 WeakPolarHBondContact O-CG 3.3Å; W844-Q848 PolarHBondContact O-N 3.35Å; W844-Q848 PolarHBondContact O-NE2 2.96Å; W844-Q848 VanDerWaalsContact O-NE2 3.07Å; A845-Q848 PolarHBondContact O-N 2.76Å; Q848-G850 PolarHBondContact O-N 3.4Å
849L43Very low38.2Very low25 Ų2550.3 Ų50.313%0.13127%0.271CS..THydrogen-bonded Turntrans-66.7-2.8176.4-62.3173.9000113.9A845 L851 I891 I979 Y992A845-L849 WeakPolarHBondContact O-CG 3.45Å; A845-L849 PolarHBondContact O-N 3.02Å; L849-L851 HydrophobicContact CB-CD1 3.87Å; L849-L851 HydrophobicContact CB-CG 3.78Å; L849-L851 HydrophobicContact CD1-CD1 3.84Å; L849-L851 PolarHBondContact O-N 3Å; L849-I891 HydrophobicContact CD1-CD1 3.98Å; L849-I979 HydrophobicContact CD1-CD1 4.31Å; L849-I979 HydrophobicContact CD1-CG2 3.97Å; L849-I979 HydrophobicContact CD2-CB 4.43Å; L849-I979 HydrophobicContact CD2-CD1 4.48Å; L849-I979 HydrophobicContact CD2-CG2 3.64Å; L849-I979 HydrophobicContact CG-CG2 4.46Å; L849-Y992 WeakPolarHBondContact CD2-OH 3.43Å
850G36.4Very low37.7Very low26 Ų2655.4 Ų55.427%0.26829%0.288SS..THydrogen-bonded Turntrans735.117900000114.9I847 Q848 L852 S853I847-G850 PolarHBondContact O-N 3.46Å; Q848-G850 PolarHBondContact O-N 3.4Å; G850-L852 PolarHBondContact O-N 2.97Å; G850-L852 VanDerWaalsContact O-N 3.12Å; G850-S853 WeakPolarHBondContact O-CB 3.48Å; G850-S853 PolarHBondContact O-N 2.89Å; G850-S853 PolarHBondContact O-OG 3.17Å
851L38.1Very low36.9Very low31 Ų3160.4 Ų60.416%0.16231%0.308CS..G310 helixtrans-65.7-15.9-173.5-61.3174.5000113.9L846 L849 S853 C854 V872 I891L846-L851 HydrophobicContact CD2-CD1 4.05Å; L849-L851 HydrophobicContact CB-CD1 3.87Å; L849-L851 HydrophobicContact CB-CG 3.78Å; L849-L851 HydrophobicContact CD1-CD1 3.84Å; L849-L851 PolarHBondContact O-N 3Å; L851-S853 PolarHBondContact O-N 3.45Å; L851-S853 VanDerWaalsContact O-N 3.1Å; L851-C854 WeakPolarHBondContact O-CB 3.08Å; L851-C854 PolarHBondContact O-N 2.88Å; L851-V872 HydrophobicContact CD1-CG2 3.86Å; L851-V872 HydrophobicContact CD2-CB 4.5Å; L851-V872 HydrophobicContact CD2-CG1 3.9Å; L851-V872 HydrophobicContact CD2-CG2 3.84Å; L851-V872 HydrophobicContact CG-CG2 4.47Å; L851-I891 HydrophobicContact CD1-CD1 3.68Å
852L35.3Very low36.1Very low72 Ų7267 Ų6738%0.37734%0.343SS..G310 helixtrans-61-7.9165.1-90.3171.9000114.7I847 G850 I857I847-L852 HydrophobicContact CB-CD1 4.45Å; I847-L852 HydrophobicContact CG1-CD1 3.78Å; I847-L852 HydrophobicContact CG2-CD1 4.35Å; G850-L852 PolarHBondContact O-N 2.97Å; G850-L852 VanDerWaalsContact O-N 3.12Å; L852-I857 HydrophobicContact CD2-CD1 3.78Å; L852-I857 HydrophobicContact CG-CD1 4.25Å
853S32.9Very low35.5Very low100 Ų10069 Ų6970%0.69936%0.356SS*.G310 helixtrans-93.5-5.6172.665.60000114G850 L851G850-S853 WeakPolarHBondContact O-CB 3.48Å; G850-S853 PolarHBondContact O-N 2.89Å; G850-S853 PolarHBondContact O-OG 3.17Å; L851-S853 PolarHBondContact O-N 3.45Å; L851-S853 VanDerWaalsContact O-N 3.1Å
854C28.9Very low34.9Very low37 Ų3771.3 Ų71.325%0.2538%0.375CS..SBendtrans-73.2136.7167.1-62.20000109.5L851 E856L851-C854 WeakPolarHBondContact O-CB 3.08Å; L851-C854 PolarHBondContact O-N 2.88Å; C854-E856 PolarHBondContact O-N 2.71Å
855N26.5Very low34.3Very low88 Ų8879.2 Ų79.247%0.47141%0.413SS..SBendtrans-66.9-10.6-169-69.1-71.1000115.2R816 Y875R816-N855 PolarHBondContact NH2-OD1 2.74Å; N855-Y875 PolarHBondContact ND2-OH 3.18Å
856E31.8Very low33.8Very low103 Ų10380.6 Ų80.648%0.48142%0.421SS..  trans-139.272.3-165.4-67.1175.9141.400112.3C854 V858C854-E856 PolarHBondContact O-N 2.71Å; E856-V858 PolarHBondContact O-N 3.38Å
857I30.7Very low33.7Very low63 Ų6381.7 Ų81.732%0.32342%0.424SS..  trans-83.599.7156.7-60.1-170.1000107.8L852 Y859L852-I857 HydrophobicContact CD2-CD1 3.78Å; L852-I857 HydrophobicContact CG-CD1 4.25Å; I857-Y859 HydrophobicContact CB-CE2 4.37Å; I857-Y859 HydrophobicContact CG2-CD2 3.96Å; I857-Y859 HydrophobicContact CG2-CE2 3.66Å; I857-Y859 PolarHBondContact O-N 2.67Å; I857-Y859 VanDerWaalsContact O-N 3.12Å
858V29.7Very low33.9Very low88 Ų8881.3 Ų81.353%0.53342%0.424SS..  trans-79.392.2177.5-176.20000109.6E856 Y860E856-V858 PolarHBondContact O-N 3.38Å; V858-Y860 HydrophobicContact CB-CD2 4.49Å; V858-Y860 HydrophobicContact CB-CE2 4.25Å; V858-Y860 HydrophobicContact CG1-CD2 3.88Å; V858-Y860 HydrophobicContact CG1-CE2 3.7Å; V858-Y860 HydrophobicContact CG1-CG 4.5Å; V858-Y860 PolarHBondContact O-N 2.9Å
859Y30.6Very low34.1Very low166 Ų16681 Ų8165%0.65142%0.423SS*.  trans-65.899.9165-73.4-89000109.3I857 K861I857-Y859 HydrophobicContact CB-CE2 4.37Å; I857-Y859 HydrophobicContact CG2-CD2 3.96Å; I857-Y859 HydrophobicContact CG2-CE2 3.66Å; I857-Y859 PolarHBondContact O-N 2.67Å; I857-Y859 VanDerWaalsContact O-N 3.12Å; Y859-K861 PolarHBondContact O-N 3.3Å
860Y29.5Very low34.2Very low122 Ų12280.3 Ų80.348%0.47842%0.422SS..  trans-63.4124.1175-85.8-91.6000110.3V858 N862 L910V858-Y860 HydrophobicContact CB-CD2 4.49Å; V858-Y860 HydrophobicContact CB-CE2 4.25Å; V858-Y860 HydrophobicContact CG1-CD2 3.88Å; V858-Y860 HydrophobicContact CG1-CE2 3.7Å; V858-Y860 HydrophobicContact CG1-CG 4.5Å; V858-Y860 PolarHBondContact O-N 2.9Å; Y860-N862 PolarHBondContact O-N 2.95Å; Y860-L910 HydrophobicContact CE2-CD1 4.39Å
861K25.7Very low34.3Very low163 Ų16380.7 Ų80.771%0.70942%0.419SS*.THydrogen-bonded Turntrans-71.28.6-150.6-161165.3-177.2162.60116.8E798 Y859E798-K861 IonicContact OE1-NZ 3.41Å; E798-K861 PolarHBondContact OE1-NZ 3.42Å; Y859-K861 PolarHBondContact O-N 3.3Å
862N28.5Very low34.5Very low160 Ų16080 Ų8086%0.85642%0.415SS*.THydrogen-bonded Turntrans-139.97.7-171.6-77.1-44000115.5Y860Y860-N862 PolarHBondContact O-N 2.95Å
863C28.9Very low34.7Very low50 Ų5077.8 Ų77.834%0.33840%0.404SS..  trans-87.6138.6179.7-84.30000113.1R867C863-R867 HydrophobicContact CB-CB 4.41Å
864P30.3Very low34.7Very low88 Ų8877.6 Ų77.657%0.57140%0.395SS*.  trans-74.1171.7172.332.6-35.4000112.3S866 R867P864-S866 PolarHBondContact O-N 2.8Å; P864-R867 PolarHBondContact O-N 3.46Å
865E37Very low34.7Very low188 Ų18882 Ų8288%0.87941%0.407SS*.THydrogen-bonded Turntrans-64.26.8-162.2-53.8-178.7152.200117.3S839S839-E865 PolarHBondContact OG-O 3.21Å
866S33.7Very low34.7Very low34 Ų3483.5 Ų83.524%0.23842%0.42CS..THydrogen-bonded Turntrans-91-27.3176.756.60000114.6S839 P864 D898S839-S866 WeakPolarHBondContact CB-O 3.43Å; P864-S866 PolarHBondContact O-N 2.8Å; S866-D898 WeakPolarHBondContact CB-OD2 3.25Å; S866-D898 PolarHBondContact OG-OD1 3.1Å; S866-D898 PolarHBondContact OG-OD2 3.42Å
867R42.7Very low34.4Very low47 Ų4784.6 Ų84.618%0.17743%0.433CS..  trans-105.7137.1-161.1-61.2175.6-169.3-160-3.7114.3C863 P864 D898 D899 M903C863-R867 HydrophobicContact CB-CB 4.41Å; P864-R867 PolarHBondContact O-N 3.46Å; R867-D898 WeakPolarHBondContact CG-OD1 3.35Å; R867-D898 IonicContact CZ-OD1 2.83Å; R867-D898 VanDerWaalsContact CZ-OD1 3.32Å; R867-D898 IonicContact NE-OD1 2.6Å; R867-D898 PolarHBondContact NE-OD1 3.36Å; R867-D898 IonicContact NH2-OD1 2.67Å; R867-D898 PolarHBondContact NH2-OD1 3.29Å; R867-D899 VanDerWaalsContact NH2-N 3.19Å; R867-M903 HydrophobicContact CB-SD 4.43Å; R867-M903 HydrophobicContact CG-CE 4.23Å; R867-M903 HydrophobicContact CG-SD 4.06Å
868S49.3Very low34.3Very low17 Ų1785.3 Ų85.312%0.11944%0.438CS..EExtended strand (participates in β ladder)trans-147.8120.2167.944.20000112.9H843 A893H843-S868 PolarHBondContact CE1-OG 2.96Å; H843-S868 VanDerWaalsContact CE1-OG 3.26Å; S868-A893 WeakPolarHBondContact O-CB 3.48Å; S868-A893 PolarHBondContact O-N 3.07Å
869I46.5Very low34.2Very low33 Ų3393 Ų9317%0.16946%0.457CS..EExtended strand (participates in β ladder)trans-99.3113.9165.4-56.8178000107V871 I890 L892 E906I869-V871 HydrophobicContact CG2-CG2 4.44Å; I869-I890 HydrophobicContact CG2-CG2 4.02Å; I869-L892 HydrophobicContact CD1-CD1 4.19Å; I869-L892 HydrophobicContact CG1-CD1 4.12Å; I869-L892 HydrophobicContact CG1-CG 4.2Å; I869-E906 HydrophobicContact CD1-CB 4.05Å
870G44.3Very low34.2Very low10 Ų1091.3 Ų91.310%0.10346%0.46CS..EExtended strand (participates in β ladder)trans-95.9137.517200000110.9I891G870-I891 PolarHBondContact N-O 3.42Å; G870-I891 PolarHBondContact O-N 3.23Å
871V39.5Very low34.2Very low34 Ų3488.2 Ų88.221%0.20647%0.465CS..EExtended strand (participates in β ladder)trans-120.5130.4-179.6-1770000109.3I869 P887 L910I869-V871 HydrophobicContact CG2-CG2 4.44Å; V871-P887 HydrophobicContact CG1-CB 3.53Å; V871-P887 HydrophobicContact CG1-CG 4.16Å; V871-L910 HydrophobicContact CG2-CD1 4.25Å; V871-L910 HydrophobicContact CG2-CD2 4.13Å
872V42.6Very low34.3Very low16 Ų1684.9 Ų84.910%0.09746%0.458CS..EExtended strand (participates in β ladder)trans-112.496.7-175-171.40000109.6L851 D888 C889 I891L851-V872 HydrophobicContact CD1-CG2 3.86Å; L851-V872 HydrophobicContact CD2-CB 4.5Å; L851-V872 HydrophobicContact CD2-CG1 3.9Å; L851-V872 HydrophobicContact CD2-CG2 3.84Å; L851-V872 HydrophobicContact CG-CG2 4.47Å; V872-D888 PolarHBondContact O-N 2.81Å; V872-C889 WeakPolarHBondContact CA-O 3.39Å; V872-C889 HydrophobicContact CB-CB 4.12Å; V872-C889 WeakPolarHBondContact CB-O 3.15Å; V872-C889 PolarHBondContact N-O 2.89Å; V872-C889 PolarHBondContact O-N 3.29Å; V872-I891 HydrophobicContact CG2-CD1 4.22Å; V872-I891 HydrophobicContact CG2-CG1 4.36Å
873N39.4Very low34.5Very low26 Ų2686.5 Ų86.514%0.13946%0.457CS..  trans-89.3111.2177-69.1-14.4000110.4V885 P887N873-V885 HydrophobicContact CB-CG1 4.19Å; N873-V885 WeakPolarHBondContact ND2-CG1 3.2Å; N873-P887 VanDerWaalsContact OD1-CA 3.25Å; N873-P887 WeakPolarHBondContact OD1-CA 3.41Å; N873-P887 VanDerWaalsContact OD1-CB 3.29Å; N873-P887 WeakPolarHBondContact OD1-CB 3.47Å
874N33.2Very low34.8Very low96 Ų9690.7 Ų90.751%0.51348%0.476SS..  trans-79117.6163-78.6-33.4000109.1V876 D888N874-V876 VanDerWaalsContact C-N 3.27Å; N874-V876 HydrophobicContact CB-CG2 4.47Å; N874-V876 PolarHBondContact O-N 3.2Å; N874-D888 HydrophobicContact CB-CB 4.43Å; N874-D888 WeakPolarHBondContact CB-OD2 3.45Å; N874-D888 PolarHBondContact ND2-OD2 3.5Å
875Y27.6Very low35.5Very low129 Ų12989.9 Ų89.951%0.50647%0.47SS..  trans-74.878.7172.8-73.4-73000111.2N855 V877 V885N855-Y875 PolarHBondContact ND2-OH 3.18Å; Y875-V877 PolarHBondContact O-N 3.03Å; Y875-V885 HydrophobicContact CE1-CG2 4.37Å
876V27.8Very low35.8Very low121 Ų12182.1 Ų82.173%0.73344%0.436SS*.  trans-7797.6166-176.10000108.3N874 D878N874-V876 VanDerWaalsContact C-N 3.27Å; N874-V876 HydrophobicContact CB-CG2 4.47Å; N874-V876 PolarHBondContact O-N 3.2Å; V876-D878 PolarHBondContact O-N 3.48Å; V876-D878 VanDerWaalsContact O-N 3.16Å
877V25.4Very low36.8Very low125 Ų12581.3 Ų81.376%0.75843%0.43SS*.  trans-72.2105.4172.6-179.80000108.7Y875Y875-V877 PolarHBondContact O-N 3.03Å
878D28Very low37.5Very low79 Ų7982.1 Ų82.142%0.42244%0.438SS..  trans-64.6148.8168.5-177.838.4000110.7V876 N880 G881V876-D878 PolarHBondContact O-N 3.48Å; V876-D878 VanDerWaalsContact O-N 3.16Å; D878-N880 PolarHBondContact O-N 3.01Å; D878-N880 WeakPolarHBondContact OD2-CB 3.38Å; D878-N880 PolarHBondContact OD2-ND2 3.19Å; D878-G881 PolarHBondContact O-N 3.24Å; D878-G881 VanDerWaalsContact O-N 3.11Å
879R27.9Very low38.1Very low250 Ų25081.5 Ų81.594%0.94343%0.433SS*.THydrogen-bonded Turntrans-61.8-15.6-176.5-69.4-176.7172.9-174.2-1.7113.6
880N30.3Very low39Very low130 Ų13079.9 Ų79.970%0.69543%0.425SS*.THydrogen-bonded Turntrans-92.7-1.4-179.4-56.2-54.8000114.1D878 T882D878-N880 PolarHBondContact O-N 3.01Å; D878-N880 WeakPolarHBondContact OD2-CB 3.38Å; D878-N880 PolarHBondContact OD2-ND2 3.19Å; N880-T882 VanDerWaalsContact C-N 3.3Å; N880-T882 PolarHBondContact O-N 3.45Å
881G28.8Very low39.9Very low57 Ų5779.7 Ų79.759%0.58842%0.422SS*.  trans77.8-1.2168.200000117D878D878-G881 PolarHBondContact O-N 3.24Å; D878-G881 VanDerWaalsContact O-N 3.11Å
882T28.5Very low41.3Very low92 Ų9278.1 Ų78.156%0.56441%0.412SS*.  trans-73.6122.6170.842.30000110.9N880 D884N880-T882 VanDerWaalsContact C-N 3.3Å; N880-T882 PolarHBondContact O-N 3.45Å; T882-D884 PolarHBondContact O-N 3.16Å
883K32.2Very low42.3Very low195 Ų19577.4 Ų77.485%0.84841%0.408SS*.  trans-89.169.8-178.1-66.2-177.7-179.4176.70112.2
884D34.9Very low43.4Very low137 Ų13776.5 Ų76.573%0.73340%0.403SS*.  trans-78.2124.5164.6-71.6-36.1000109.5T882T882-D884 PolarHBondContact O-N 3.16Å
885V45.2Very low44.9Very low71 Ų7173 Ų7343%0.4338%0.384SS..  trans-114.180.9-175.3-173.20000109.1N873 Y875N873-V885 HydrophobicContact CB-CG1 4.19Å; N873-V885 WeakPolarHBondContact ND2-CG1 3.2Å; Y875-V885 HydrophobicContact CE1-CG2 4.37Å
886S44.2Very low46.8Very low26 Ų2669 Ų6918%0.18237%0.371CS..  trans-88.1132.5167.758.50000110.2
887P53.8Low48.5Very low16 Ų1667.4 Ų67.410%0.10437%0.371CS..  trans-66.2141.4173.224.4-30.7000111.8V871 N873 C914 V918V871-P887 HydrophobicContact CG1-CB 3.53Å; V871-P887 HydrophobicContact CG1-CG 4.16Å; N873-P887 VanDerWaalsContact OD1-CA 3.25Å; N873-P887 WeakPolarHBondContact OD1-CA 3.41Å; N873-P887 VanDerWaalsContact OD1-CB 3.29Å; N873-P887 WeakPolarHBondContact OD1-CB 3.47Å; P887-C914 WeakPolarHBondContact CG-SG 3.3Å; P887-V918 HydrophobicContact CG-CG1 4.28Å; P887-V918 WeakPolarHBondContact O-CG1 3.34Å
888D58Low50.3Low64 Ų6462.1 Ų62.134%0.34234%0.339SS..SBendtrans-89-30.2173.5-93.3-3.6000111.3V872 N874 Q919V872-D888 PolarHBondContact O-N 2.81Å; N874-D888 HydrophobicContact CB-CB 4.43Å; N874-D888 WeakPolarHBondContact CB-OD2 3.45Å; N874-D888 PolarHBondContact ND2-OD2 3.5Å; D888-Q919 WeakPolarHBondContact O-CB 3.24Å; D888-Q919 PolarHBondContact O-N 3.24Å
889C61Low52.3Low4 Ų461 Ų613%0.02733%0.333CS..EExtended strand (participates in β ladder)trans-146.2144.9-178.9-177.40000112V872 Q919V872-C889 WeakPolarHBondContact CA-O 3.39Å; V872-C889 HydrophobicContact CB-CB 4.12Å; V872-C889 WeakPolarHBondContact CB-O 3.15Å; V872-C889 PolarHBondContact N-O 2.89Å; V872-C889 PolarHBondContact O-N 3.29Å; C889-Q919 CarbonylContact C-O 3.55Å; C889-Q919 WeakPolarHBondContact CA-O 3.34Å; C889-Q919 HydrophobicContact CB-CB 3.97Å
890I66.3Low54.5Low0 Ų050 Ų500%029%0.292CS..EExtended strand (participates in β ladder)trans-120.4133.9173.6-61.6169.2000107.6I869 L907 L910 V911 V918 Q919 L920 L921I869-I890 HydrophobicContact CG2-CG2 4.02Å; I890-L907 HydrophobicContact CD1-CD1 4.36Å; I890-L907 HydrophobicContact CG2-CD1 4.41Å; I890-L910 HydrophobicContact CD1-CD2 3.46Å; I890-L910 VanDerWaalsContact CD1-CD2 3.46Å; I890-L910 HydrophobicContact CG1-CD2 4.1Å; I890-V911 HydrophobicContact CD1-CG2 3.45Å; I890-V911 VanDerWaalsContact CD1-CG2 3.45Å; I890-V918 HydrophobicContact CD1-CG2 3.64Å; I890-V918 HydrophobicContact CG1-CG2 4.2Å; I890-Q919 PolarHBondContact N-O 3.08Å; I890-L920 HydrophobicContact CB-CD1 4.01Å; I890-L920 HydrophobicContact CG2-CD1 3.88Å; I890-L920 WeakPolarHBondContact O-CA 3.43Å; I890-L921 PolarHBondContact O-N 3.15Å
891I63.8Low56.4Low6 Ų647.5 Ų47.53%0.03129%0.285CS..EExtended strand (participates in β ladder)trans-117115174.2-53.7-179.8000107.9L846 L849 L851 G870 V872 L921 I923L846-I891 HydrophobicContact CD2-CB 3.95Å; L846-I891 HydrophobicContact CD2-CD1 4.12Å; L846-I891 HydrophobicContact CD2-CG2 3.82Å; L849-I891 HydrophobicContact CD1-CD1 3.98Å; L851-I891 HydrophobicContact CD1-CD1 3.68Å; G870-I891 PolarHBondContact N-O 3.42Å; G870-I891 PolarHBondContact O-N 3.23Å; V872-I891 HydrophobicContact CG2-CD1 4.22Å; V872-I891 HydrophobicContact CG2-CG1 4.36Å; I891-L921 CarbonylContact C-O 3.42Å; I891-L921 WeakPolarHBondContact CA-O 3.33Å; I891-L921 HydrophobicContact CG1-CB 4.33Å; I891-L921 HydrophobicContact CG2-CD2 4.29Å; I891-I923 HydrophobicContact CG2-CD1 4.16Å
892L67.6Low58.3Low0 Ų050 Ų500%028%0.279CS..EExtended strand (participates in β ladder)trans-111.5111.9-173.4-169.1145000109.6I869 M894 M903 L907 L920 L921 V922 I923I869-L892 HydrophobicContact CD1-CD1 4.19Å; I869-L892 HydrophobicContact CG1-CD1 4.12Å; I869-L892 HydrophobicContact CG1-CG 4.2Å; L892-M894 HydrophobicContact CD2-CE 3.36Å; L892-M903 HydrophobicContact CD2-CE 4.01Å; L892-L907 HydrophobicContact CD1-CB 4.25Å; L892-L907 HydrophobicContact CD1-CD1 4.12Å; L892-L907 HydrophobicContact CD1-CD2 4.31Å; L892-L907 HydrophobicContact CD1-CG 4.46Å; L892-L920 HydrophobicContact CB-CD1 4.3Å; L892-L921 PolarHBondContact N-O 3.34Å; L892-V922 HydrophobicContact CD2-CG1 4.13Å; L892-V922 WeakPolarHBondContact O-CA 3.38Å; L892-I923 PolarHBondContact O-N 3.48Å
893A63.7Low60.1Low2 Ų245.6 Ų45.62%0.01725%0.253CS..EExtended strand (participates in β ladder)trans-104.8129.6-175.500000111.5A842 S868A842-A893 HydrophobicContact CB-CB 3.48Å; A842-A893 VanDerWaalsContact CB-CB 3.48Å; S868-A893 WeakPolarHBondContact O-CB 3.48Å; S868-A893 PolarHBondContact O-N 3.07Å
894M64.1Low62.1Low6 Ų637.2 Ų37.23%0.0322%0.22CC..EExtended strand (participates in β ladder)trans-143.1154.2-178.366.1173.269.700112.8L892 D898 M903 V922 I923 V924 S925 I938 L942L892-M894 HydrophobicContact CD2-CE 3.36Å; M894-D898 HydrophobicContact CB-CB 4.46Å; M894-M903 HydrophobicContact CB-CE 3.66Å; M894-M903 HydrophobicContact CE-CE 4.45Å; M894-V922 HydrophobicContact CE-CG1 3.87Å; M894-I923 PolarHBondContact N-O 3.27Å; M894-V924 HydrophobicContact CG-CB 4.21Å; M894-V924 HydrophobicContact CG-CG1 4.13Å; M894-V924 HydrophobicContact CG-CG2 3.89Å; M894-V924 WeakPolarHBondContact O-CA 3.21Å; M894-V924 HydrophobicContact SD-CG1 4.33Å; M894-V924 HydrophobicContact SD-CG2 3.89Å; M894-S925 PolarHBondContact O-N 3.07Å; M894-I938 HydrophobicContact SD-CG2 4.38Å; M894-L942 HydrophobicContact CE-CD1 4.17Å; M894-L942 HydrophobicContact CE-CD2 4.28Å
895D63Low64Low22 Ų2237 Ų3712%0.11821%0.214CC..EExtended strand (participates in β ladder)trans-85.6150.7157.4-165.5-65.2000108.9K838 A897 D898K838-D895 VanDerWaalsContact CB-OD2 3.25Å; K838-D895 WeakPolarHBondContact CB-OD2 3.46Å; K838-D895 WeakPolarHBondContact CD-OD2 3.32Å; D895-A897 PolarHBondContact O-N 3.43Å; D895-A897 VanDerWaalsContact O-N 3.11Å; D895-A897 WeakPolarHBondContact OD1-CB 3.15Å; D895-A897 PolarHBondContact OD1-N 3.4Å; D895-D898 PolarHBondContact N-OD2 2.94Å; D895-D898 WeakPolarHBondContact O-CB 3.29Å; D895-D898 PolarHBondContact O-N 3.24Å
896I67.7Low65Low45 Ų4536.4 Ų36.423%0.23121%0.207CC..THydrogen-bonded Turntrans-56.5-22.8171-167178.4000112.6D898 V924 S925 P933I896-D898 VanDerWaalsContact C-N 3.33Å; I896-V924 HydrophobicContact CB-CG1 4.38Å; I896-S925 PolarHBondContact N-O 2.92Å; I896-P933 HydrophobicContact CD1-CB 4.43Å; I896-P933 HydrophobicContact CD1-CG 3.84Å; I896-P933 HydrophobicContact CG1-CG 4.29Å
897A63.8Low66.4Low88 Ų8835.2 Ų35.273%0.72720%0.198SC*.THydrogen-bonded Turntrans-80.1-2.8174.800000115D895D895-A897 PolarHBondContact O-N 3.43Å; D895-A897 VanDerWaalsContact O-N 3.11Å; D895-A897 WeakPolarHBondContact OD1-CB 3.15Å; D895-A897 PolarHBondContact OD1-N 3.4Å
898D62.8Low67.5Low15 Ų1539.5 Ų39.58%0.0822%0.217CC..SBendtrans-77.6150178.8-89.3-57.5000114S866 R867 M894 D895 I896 I900S866-D898 WeakPolarHBondContact CB-OD2 3.25Å; S866-D898 PolarHBondContact OG-OD1 3.1Å; S866-D898 PolarHBondContact OG-OD2 3.42Å; R867-D898 WeakPolarHBondContact CG-OD1 3.35Å; R867-D898 IonicContact CZ-OD1 2.83Å; R867-D898 VanDerWaalsContact CZ-OD1 3.32Å; R867-D898 IonicContact NE-OD1 2.6Å; R867-D898 PolarHBondContact NE-OD1 3.36Å; R867-D898 IonicContact NH2-OD1 2.67Å; R867-D898 PolarHBondContact NH2-OD1 3.29Å; M894-D898 HydrophobicContact CB-CB 4.46Å; D895-D898 PolarHBondContact N-OD2 2.94Å; D895-D898 WeakPolarHBondContact O-CB 3.29Å; D895-D898 PolarHBondContact O-N 3.24Å; I896-D898 VanDerWaalsContact C-N 3.33Å; D898-I900 PolarHBondContact O-N 3.27Å
899D71.2Confident68.1Low56 Ų5641.6 Ų41.630%0.29923%0.228SC..  trans-7391.2175.6-179-17.9000110.4R867 S901 K902 M903R867-D899 VanDerWaalsContact NH2-N 3.19Å; D899-S901 PolarHBondContact O-N 3.02Å; D899-S901 PolarHBondContact OD1-N 3.07Å; D899-K902 PolarHBondContact O-N 3.25Å; D899-K902 PolarHBondContact OD1-N 2.86Å; D899-K902 WeakPolarHBondContact OD2-CD 3.43Å; D899-K902 WeakPolarHBondContact OD2-CG 3.29Å; D899-K902 IonicContact OD2-NZ 2.79Å; D899-K902 PolarHBondContact OD2-NZ 2.61Å; D899-M903 PolarHBondContact O-N 3.19Å
900I73.7Confident68.2Low17 Ų1742.6 Ų42.69%0.08723%0.233CC..Hα-helixtrans-57.8-34.6-177.7-47.7177.9000111.4D898 K902 M903 A904 Y937 I938 L942D898-I900 PolarHBondContact O-N 3.27Å; I900-K902 VanDerWaalsContact C-N 3.31Å; I900-K902 PolarHBondContact O-N 3.44Å; I900-M903 WeakPolarHBondContact O-CB 3.45Å; I900-M903 PolarHBondContact O-N 2.77Å; I900-M903 VanDerWaalsContact O-N 3.09Å; I900-A904 PolarHBondContact O-N 2.79Å; I900-Y937 HydrophobicContact CD1-CD1 4.27Å; I900-Y937 HydrophobicContact CD1-CE1 3.71Å; I900-I938 HydrophobicContact CD1-CD1 3.7Å; I900-L942 HydrophobicContact CG2-CD2 3.84Å; I900-L942 HydrophobicContact CG2-CG 3.94Å
901S71Confident68.5Low78 Ų7842.7 Ų42.755%0.54523%0.233SC..Hα-helixtrans-65.2-32.4-179.2-600000112.9D899 Q905D899-S901 PolarHBondContact O-N 3.02Å; D899-S901 PolarHBondContact OD1-N 3.07Å; S901-Q905 WeakPolarHBondContact O-CG 3.42Å; S901-Q905 PolarHBondContact O-N 2.84Å
902K67.3Low69Low109 Ų10945.3 Ų45.347%0.47425%0.252SS..Hα-helixtrans-71.2-41.9169.4-70.9-173.2178.887.50112.1D899 I900 A904 Q905 E906D899-K902 PolarHBondContact O-N 3.25Å; D899-K902 PolarHBondContact OD1-N 2.86Å; D899-K902 WeakPolarHBondContact OD2-CD 3.43Å; D899-K902 WeakPolarHBondContact OD2-CG 3.29Å; D899-K902 IonicContact OD2-NZ 2.79Å; D899-K902 PolarHBondContact OD2-NZ 2.61Å; I900-K902 VanDerWaalsContact C-N 3.31Å; I900-K902 PolarHBondContact O-N 3.44Å; K902-A904 VanDerWaalsContact C-N 3.27Å; K902-A904 PolarHBondContact O-N 3.45Å; K902-Q905 PolarHBondContact O-N 2.86Å; K902-Q905 VanDerWaalsContact O-N 3.17Å; K902-E906 PolarHBondContact O-N 3.43Å; K902-E906 VanDerWaalsContact O-N 3.1Å
903M66.1Low68.8Low0 Ų050.6 Ų50.60%028%0.284CS..Hα-helixtrans-61-37.2178.2-61.1-76.4-103.400111.7R867 L892 M894 D899 I900 E906 L907 L942R867-M903 HydrophobicContact CB-SD 4.43Å; R867-M903 HydrophobicContact CG-CE 4.23Å; R867-M903 HydrophobicContact CG-SD 4.06Å; L892-M903 HydrophobicContact CD2-CE 4.01Å; M894-M903 HydrophobicContact CB-CE 3.66Å; M894-M903 HydrophobicContact CE-CE 4.45Å; D899-M903 PolarHBondContact O-N 3.19Å; I900-M903 WeakPolarHBondContact O-CB 3.45Å; I900-M903 PolarHBondContact O-N 2.77Å; I900-M903 VanDerWaalsContact O-N 3.09Å; M903-E906 PolarHBondContact O-N 2.97Å; M903-L907 VanDerWaalsContact O-CB 3.3Å; M903-L907 WeakPolarHBondContact O-CB 3.43Å; M903-L907 PolarHBondContact O-N 3.32Å; M903-L942 HydrophobicContact CB-CD2 4.17Å
904A75.4Confident68.9Low19 Ų1951.3 Ų51.316%0.15729%0.289CS..Hα-helixtrans-63.4-41.4174.900000112.7I900 K902 Q908 G941I900-A904 PolarHBondContact O-N 2.79Å; K902-A904 VanDerWaalsContact C-N 3.27Å; K902-A904 PolarHBondContact O-N 3.45Å; A904-Q908 WeakPolarHBondContact O-CB 3.3Å; A904-Q908 PolarHBondContact O-N 3.14Å; A904-G941 WeakPolarHBondContact CB-O 3.47Å
905Q75Confident68.9Low132 Ų13257 Ų5762%0.61732%0.324SS*.Hα-helixtrans-66.6-42.5177.3-69.51746.500112S901 K902 Q908 L909S901-Q905 WeakPolarHBondContact O-CG 3.42Å; S901-Q905 PolarHBondContact O-N 2.84Å; K902-Q905 PolarHBondContact O-N 2.86Å; K902-Q905 VanDerWaalsContact O-N 3.17Å; Q905-Q908 PolarHBondContact O-N 3.39Å; Q905-L909 WeakPolarHBondContact O-CB 3.36Å; Q905-L909 PolarHBondContact O-N 3.48Å
906E64.6Low69.3Low60 Ų6064.5 Ų64.528%0.2835%0.351SS..Hα-helixtrans-66.2-42.9176.5-69.5-176.6172.100111.8I869 K902 M903 L909 L910I869-E906 HydrophobicContact CD1-CB 4.05Å; K902-E906 PolarHBondContact O-N 3.43Å; K902-E906 VanDerWaalsContact O-N 3.1Å; M903-E906 PolarHBondContact O-N 2.97Å; E906-L909 PolarHBondContact O-N 2.83Å; E906-L910 WeakPolarHBondContact O-CB 3.31Å; E906-L910 PolarHBondContact O-N 3.27Å
907L73.9Confident69.6Low0 Ų065.4 Ų65.40%036%0.359CS..Hα-helixtrans-61.9-45.8174.2-178.865.1000111.5I890 L892 M903 L909 L910 V911 L920 F954I890-L907 HydrophobicContact CD1-CD1 4.36Å; I890-L907 HydrophobicContact CG2-CD1 4.41Å; L892-L907 HydrophobicContact CD1-CB 4.25Å; L892-L907 HydrophobicContact CD1-CD1 4.12Å; L892-L907 HydrophobicContact CD1-CD2 4.31Å; L892-L907 HydrophobicContact CD1-CG 4.46Å; M903-L907 VanDerWaalsContact O-CB 3.3Å; M903-L907 WeakPolarHBondContact O-CB 3.43Å; M903-L907 PolarHBondContact O-N 3.32Å; L907-L909 PolarHBondContact O-N 3.01Å; L907-L910 PolarHBondContact O-N 3.44Å; L907-V911 HydrophobicContact CD1-CG2 3.87Å; L907-V911 HydrophobicContact CG-CG2 4.45Å; L907-V911 WeakPolarHBondContact O-CG2 3.37Å; L907-V911 PolarHBondContact O-N 2.88Å; L907-L920 HydrophobicContact CD1-CD1 4.14Å; L907-L920 HydrophobicContact CD2-CD2 4.01Å; L907-F954 HydrophobicContact CD1-CE1 4.33Å; L907-F954 HydrophobicContact CD1-CZ 4.09Å; L907-F954 HydrophobicContact CD2-CZ 4.06Å; L907-F954 HydrophobicContact CG-CZ 4.08Å
908Q77.4Confident70Confident106 Ų10661.3 Ų61.350%0.49533%0.325SS..Hα-helixtrans-63.5-40.5179.1-175.8171.355.400111.9A904 Q905 S912 Y949A904-Q908 WeakPolarHBondContact O-CB 3.3Å; A904-Q908 PolarHBondContact O-N 3.14Å; Q905-Q908 PolarHBondContact O-N 3.39Å; Q908-S912 VanDerWaalsContact O-CB 3.26Å; Q908-S912 WeakPolarHBondContact O-CB 3.41Å; Q908-S912 PolarHBondContact O-N 2.88Å; Q908-Y949 WeakPolarHBondContact CA-OH 3.36Å; Q908-Y949 HydrophobicContact CB-CE2 4.48Å; Q908-Y949 HydrophobicContact CG-CE2 4.02Å
909L69.8Low70.6Confident108 Ų10861.7 Ų61.757%0.56533%0.327SS*.Hα-helixtrans-61.6-49173.4-176.767.5000111Q905 E906 L907 S912Q905-L909 WeakPolarHBondContact O-CB 3.36Å; Q905-L909 PolarHBondContact O-N 3.48Å; E906-L909 PolarHBondContact O-N 2.83Å; L907-L909 PolarHBondContact O-N 3.01Å; L909-S912 PolarHBondContact O-N 3.41Å; L909-S912 PolarHBondContact O-OG 2.95Å
910L64.4Low70.9Confident26 Ų2659 Ų5914%0.13631%0.313CS..Hα-helixtrans-61.6-50-177.5-167.2116000111.8Y860 V871 I890 E906 L907 S912 T913Y860-L910 HydrophobicContact CE2-CD1 4.39Å; V871-L910 HydrophobicContact CG2-CD1 4.25Å; V871-L910 HydrophobicContact CG2-CD2 4.13Å; I890-L910 HydrophobicContact CD1-CD2 3.46Å; I890-L910 VanDerWaalsContact CD1-CD2 3.46Å; I890-L910 HydrophobicContact CG1-CD2 4.1Å; E906-L910 WeakPolarHBondContact O-CB 3.31Å; E906-L910 PolarHBondContact O-N 3.27Å; L907-L910 PolarHBondContact O-N 3.44Å; L910-S912 VanDerWaalsContact C-N 3.29Å; L910-S912 PolarHBondContact O-N 2.99Å; L910-T913 PolarHBondContact O-N 3.02Å; L910-T913 PolarHBondContact O-OG1 3.38Å
911V72.8Confident70.9Confident1 Ų158.3 Ų58.31%0.00631%0.309CS..Hα-helixtrans-78.2-15-176.5-1600000112.5I890 L907 T913 C914 V918 Y953 F954I890-V911 HydrophobicContact CD1-CG2 3.45Å; I890-V911 VanDerWaalsContact CD1-CG2 3.45Å; L907-V911 HydrophobicContact CD1-CG2 3.87Å; L907-V911 HydrophobicContact CG-CG2 4.45Å; L907-V911 WeakPolarHBondContact O-CG2 3.37Å; L907-V911 PolarHBondContact O-N 2.88Å; V911-T913 PolarHBondContact O-N 3.43Å; V911-C914 HydrophobicContact CG1-CB 3.99Å; V911-C914 WeakPolarHBondContact O-CB 3.3Å; V911-C914 PolarHBondContact O-N 2.8Å; V911-C914 VanDerWaalsContact O-N 3.12Å; V911-V918 HydrophobicContact CG1-CG2 3.92Å; V911-V918 HydrophobicContact CG2-CG2 4.4Å; V911-Y953 HydrophobicContact CB-CD1 4.41Å; V911-Y953 HydrophobicContact CG1-CD1 3.92Å; V911-Y953 HydrophobicContact CG1-CG 4.21Å; V911-Y953 WeakPolarHBondContact CG1-O 3.34Å; V911-Y953 WeakPolarHBondContact O-CD1 3.4Å; V911-F954 HydrophobicContact CB-CZ 4.32Å; V911-F954 HydrophobicContact CG1-CE1 4.25Å; V911-F954 HydrophobicContact CG1-CZ 4.35Å; V911-F954 HydrophobicContact CG2-CE1 3.81Å; V911-F954 HydrophobicContact CG2-CZ 3.81Å
912S72.9Confident71.1Confident62 Ų6254.7 Ų54.743%0.43428%0.283SS..Hα-helixtrans-62.8-20.8166.978.80000113.9Q908 L909 L910Q908-S912 VanDerWaalsContact O-CB 3.26Å; Q908-S912 WeakPolarHBondContact O-CB 3.41Å; Q908-S912 PolarHBondContact O-N 2.88Å; L909-S912 PolarHBondContact O-N 3.41Å; L909-S912 PolarHBondContact O-OG 2.95Å; L910-S912 VanDerWaalsContact C-N 3.29Å; L910-S912 PolarHBondContact O-N 2.99Å
913T64.3Low71.2Confident110 Ų11049.9 Ų49.968%0.67526%0.263SS*.THydrogen-bonded Turntrans-91.6-4.9175.6690000113.7L910 V911L910-T913 PolarHBondContact O-N 3.02Å; L910-T913 PolarHBondContact O-OG1 3.38Å; V911-T913 PolarHBondContact O-N 3.43Å
914C64.7Low71.5Confident18 Ų1849.9 Ų49.912%0.12226%0.263CS..  trans-81.6125-178.9-65.50000111.8P887 V911 R916 V918P887-C914 WeakPolarHBondContact CG-SG 3.3Å; V911-C914 HydrophobicContact CG1-CB 3.99Å; V911-C914 WeakPolarHBondContact O-CB 3.3Å; V911-C914 PolarHBondContact O-N 2.8Å; V911-C914 VanDerWaalsContact O-N 3.12Å; C914-R916 PolarHBondContact O-N 3.26Å; C914-V918 HydrophobicContact CB-CG1 3.88Å
915V64.6Low71Confident124 Ų12449.2 Ų49.275%0.75226%0.257SS*.SBendtrans-73.4-13180-170.10000112.7
916R72Confident70.6Confident181 Ų18143 Ų4368%0.68323%0.228SC*.SBendtrans-143.7156.3-177.2-62.6-179.2-177.3160.83.3111.1C914 V918C914-R916 PolarHBondContact O-N 3.26Å; R916-V918 VanDerWaalsContact O-CG1 3.31Å; R916-V918 WeakPolarHBondContact O-CG1 3.42Å; R916-V918 PolarHBondContact O-N 3.07Å
917P74.6Confident70.2Confident63 Ų6341.3 Ų41.341%0.40922%0.223SC..PPolyproline II helixtrans-68.9122.7177.5-17.731.3000112.8Y953 S955P917-Y953 CarbonylContact C-O 3.5Å; P917-Y953 WeakPolarHBondContact CA-O 3.48Å; P917-S955 WeakPolarHBondContact O-CB 3.09Å; P917-S955 PolarHBondContact O-OG 3.32Å; P917-S955 VanDerWaalsContact O-OG 3.06Å
918V72.1Confident69.3Low3 Ų342.5 Ų42.52%0.01824%0.235CC..EExtended strand (participates in β ladder)trans-97.8163.2-168.1-49.70000112.5P887 I890 V911 C914 R916 Y953 F954 S955P887-V918 HydrophobicContact CG-CG1 4.28Å; P887-V918 WeakPolarHBondContact O-CG1 3.34Å; I890-V918 HydrophobicContact CD1-CG2 3.64Å; I890-V918 HydrophobicContact CG1-CG2 4.2Å; V911-V918 HydrophobicContact CG1-CG2 3.92Å; V911-V918 HydrophobicContact CG2-CG2 4.4Å; C914-V918 HydrophobicContact CB-CG1 3.88Å; R916-V918 VanDerWaalsContact O-CG1 3.31Å; R916-V918 WeakPolarHBondContact O-CG1 3.42Å; R916-V918 PolarHBondContact O-N 3.07Å; V918-Y953 PolarHBondContact N-O 3.19Å; V918-F954 HydrophobicContact CG2-CD1 3.72Å; V918-F954 HydrophobicContact CG2-CE1 3.89Å; V918-F954 CarbonylContact O-C 3.55Å; V918-F954 WeakPolarHBondContact O-CA 3.34Å; V918-S955 PolarHBondContact O-N 3.22Å; V918-S955 PolarHBondContact O-OG 3.13Å
919Q74.3Confident68.2Low23 Ų2345 Ų4511%0.10725%0.252CS..EExtended strand (participates in β ladder)trans-81.6143.8170.5-63.2171.42500109.8D888 C889 I890 V956 F982D888-Q919 WeakPolarHBondContact O-CB 3.24Å; D888-Q919 PolarHBondContact O-N 3.24Å; C889-Q919 CarbonylContact C-O 3.55Å; C889-Q919 WeakPolarHBondContact CA-O 3.34Å; C889-Q919 HydrophobicContact CB-CB 3.97Å; I890-Q919 PolarHBondContact N-O 3.08Å; Q919-V956 WeakPolarHBondContact CA-O 3.42Å; Q919-V956 HydrophobicContact CG-CB 4.39Å; Q919-V956 HydrophobicContact CG-CG2 4.21Å; Q919-F982 HydrophobicContact CB-CE1 3.87Å; Q919-F982 HydrophobicContact CB-CZ 3.97Å
920L78.6Confident67.4Low0 Ų045 Ų450%025%0.249CC..EExtended strand (participates in β ladder)trans-128.6120.3176.9178.565.8000110.8I890 L892 L907 V922 L944 F954 V956 C957 R958 F982I890-L920 HydrophobicContact CB-CD1 4.01Å; I890-L920 HydrophobicContact CG2-CD1 3.88Å; I890-L920 WeakPolarHBondContact O-CA 3.43Å; L892-L920 HydrophobicContact CB-CD1 4.3Å; L907-L920 HydrophobicContact CD1-CD1 4.14Å; L907-L920 HydrophobicContact CD2-CD2 4.01Å; L920-V922 HydrophobicContact CD1-CG2 4.34Å; L920-V922 HydrophobicContact CD2-CG2 4.18Å; L920-V922 HydrophobicContact CG-CG2 4.03Å; L920-L944 HydrophobicContact CD2-CD1 3.86Å; L920-L944 HydrophobicContact CD2-CD2 3.98Å; L920-F954 HydrophobicContact CB-CD1 3.61Å; L920-F954 HydrophobicContact CB-CE1 3.81Å; L920-F954 HydrophobicContact CB-CG 4.44Å; L920-F954 HydrophobicContact CD1-CE1 4.41Å; L920-F954 HydrophobicContact CD2-CD1 4.18Å; L920-F954 HydrophobicContact CD2-CE1 3.8Å; L920-F954 HydrophobicContact CD2-CZ 4.01Å; L920-F954 HydrophobicContact CG-CD1 4.45Å; L920-F954 HydrophobicContact CG-CE1 4.22Å; L920-V956 PolarHBondContact N-O 3.04Å; L920-C957 CarbonylContact O-C 3.55Å; L920-C957 VanDerWaalsContact O-CA 3.25Å; L920-C957 WeakPolarHBondContact O-CA 3.46Å; L920-R958 PolarHBondContact O-N 3.26Å; L920-F982 VanDerWaalsContact O-CZ 3.29Å; L920-F982 WeakPolarHBondContact O-CZ 3.35Å
921L72.5Confident67.2Low2 Ų248.8 Ų48.81%0.0128%0.275CS..EExtended strand (participates in β ladder)trans-109.6127.3168-176.666.7000109.1I890 I891 L892 I923 R958 I960 I979 F982I890-L921 PolarHBondContact O-N 3.15Å; I891-L921 CarbonylContact C-O 3.42Å; I891-L921 WeakPolarHBondContact CA-O 3.33Å; I891-L921 HydrophobicContact CG1-CB 4.33Å; I891-L921 HydrophobicContact CG2-CD2 4.29Å; L892-L921 PolarHBondContact N-O 3.34Å; L921-I923 HydrophobicContact CD2-CD1 4.33Å; L921-I923 HydrophobicContact CD2-CG1 4.42Å; L921-I923 HydrophobicContact CG-CG1 4.36Å; L921-R958 HydrophobicContact CD1-CB 3.74Å; L921-I960 HydrophobicContact CD1-CD1 3.84Å; L921-I960 HydrophobicContact CD1-CG1 4.04Å; L921-I979 HydrophobicContact CD2-CG1 3.85Å; L921-F982 HydrophobicContact CB-CD1 4.17Å; L921-F982 HydrophobicContact CB-CE1 3.85Å; L921-F982 HydrophobicContact CB-CZ 4.38Å
922V75.6Confident66.7Low2 Ų251.5 Ų51.51%0.01229%0.293CS..EExtended strand (participates in β ladder)trans-111.8129174.7-173.60000109.2L892 M894 L920 V924 L942 R958 L959 I960L892-V922 HydrophobicContact CD2-CG1 4.13Å; L892-V922 WeakPolarHBondContact O-CA 3.38Å; M894-V922 HydrophobicContact CE-CG1 3.87Å; L920-V922 HydrophobicContact CD1-CG2 4.34Å; L920-V922 HydrophobicContact CD2-CG2 4.18Å; L920-V922 HydrophobicContact CG-CG2 4.03Å; V922-V924 HydrophobicContact CG1-CG2 3.99Å; V922-L942 HydrophobicContact CG1-CD1 4.27Å; V922-L942 HydrophobicContact CG2-CD1 3.99Å; V922-R958 PolarHBondContact N-O 3.05Å; V922-L959 HydrophobicContact CB-CD1 3.65Å; V922-L959 HydrophobicContact CB-CG 4.13Å; V922-L959 HydrophobicContact CG1-CD1 3.9Å; V922-L959 HydrophobicContact CG1-CG 4.4Å; V922-L959 HydrophobicContact CG2-CD1 4.07Å; V922-L959 CarbonylContact O-C 3.49Å; V922-L959 WeakPolarHBondContact O-CA 3.34Å; V922-I960 PolarHBondContact O-N 3.3Å
923I70.5Confident66.4Low8 Ų849.8 Ų49.84%0.04128%0.28CS..EExtended strand (participates in β ladder)trans-116.1116.7176.4-55.6177.3000108.1A842 I891 L892 M894 L921 L975A842-I923 HydrophobicContact CB-CG2 4.49Å; I891-I923 HydrophobicContact CG2-CD1 4.16Å; L892-I923 PolarHBondContact O-N 3.48Å; M894-I923 PolarHBondContact N-O 3.27Å; L921-I923 HydrophobicContact CD2-CD1 4.33Å; L921-I923 HydrophobicContact CD2-CG1 4.42Å; L921-I923 HydrophobicContact CG-CG1 4.36Å; I923-L975 HydrophobicContact CD1-CD2 4.42Å
924V71.3Confident66.8Low0 Ų051.1 Ų51.10%028%0.279CS..EExtended strand (participates in β ladder)trans-110.9119.5-177.5-171.80000109.3M894 I896 V922 I938 L959 I960 F961 S962M894-V924 HydrophobicContact CG-CB 4.21Å; M894-V924 HydrophobicContact CG-CG1 4.13Å; M894-V924 HydrophobicContact CG-CG2 3.89Å; M894-V924 WeakPolarHBondContact O-CA 3.21Å; M894-V924 HydrophobicContact SD-CG1 4.33Å; M894-V924 HydrophobicContact SD-CG2 3.89Å; I896-V924 HydrophobicContact CB-CG1 4.38Å; V922-V924 HydrophobicContact CG1-CG2 3.99Å; V924-I938 HydrophobicContact CG2-CG2 4.36Å; V924-L959 HydrophobicContact CG2-CD2 4.16Å; V924-L959 HydrophobicContact CG2-CG 4.39Å; V924-I960 PolarHBondContact N-O 3.42Å; V924-F961 HydrophobicContact CB-CD1 3.73Å; V924-F961 HydrophobicContact CB-CE1 3.97Å; V924-F961 HydrophobicContact CG1-CD1 4.02Å; V924-F961 HydrophobicContact CG1-CE1 4.04Å; V924-F961 HydrophobicContact CG2-CD1 4.36Å; V924-F961 HydrophobicContact CG2-CE1 4.21Å; V924-F961 WeakPolarHBondContact O-CA 3.44Å; V924-S962 PolarHBondContact O-N 2.97Å
925S66Low67.1Low5 Ų555.8 Ų55.84%0.03530%0.299CS..EExtended strand (participates in β ladder)trans-88.3130.2172.9-166.30000111.2M894 I896M894-S925 PolarHBondContact O-N 3.07Å; I896-S925 PolarHBondContact N-O 2.92Å
926C64.8Low67.6Low1 Ų155.3 Ų55.31%0.00729%0.289CS..EExtended strand (participates in β ladder)trans-120.9143.8179.7-63.50000110.5S962 R963 S964C926-S962 PolarHBondContact N-O 3.45Å; C926-R963 HydrophobicContact CB-CG 4.21Å; C926-R963 WeakPolarHBondContact O-CA 3.4Å; C926-S964 PolarHBondContact O-N 3.32Å
927S57.5Low67.9Low25 Ų2553.6 Ų53.618%0.17528%0.284CS..  trans-67.4138.316334.90000111D929 Q930S927-D929 PolarHBondContact O-N 2.83Å; S927-Q930 PolarHBondContact O-N 2.73Å; S927-Q930 VanDerWaalsContact O-N 3.17Å
928G54.8Low67.8Low25 Ų2550.7 Ų50.726%0.25827%0.265SS..THydrogen-bonded Turntrans-58.8-32.2176.800000114.4Q930 D965G928-Q930 PolarHBondContact O-N 3.28Å; G928-Q930 VanDerWaalsContact O-N 3.1Å; G928-D965 VanDerWaalsContact CA-CG 3.44Å; G928-D965 VanDerWaalsContact CA-OD2 3.29Å; G928-D965 WeakPolarHBondContact CA-OD2 3.19Å; G928-D965 PolarHBondContact N-OD1 3.02Å; G928-D965 PolarHBondContact N-OD2 3.27Å; G928-D965 VanDerWaalsContact N-OD2 3.1Å
929D53.8Low68.2Low158 Ų15851.8 Ų51.885%0.84527%0.272SS*.THydrogen-bonded Turntrans-61.8-11.7176.5-78.3-29.2000115S927S927-D929 PolarHBondContact O-N 2.83Å
930Q53.4Low68.5Low109 Ų10954.9 Ų54.951%0.50929%0.289SS..SBendtrans-119.1145177.9-67.7-168.5-8.400112S927 G928 R963S927-Q930 PolarHBondContact O-N 2.73Å; S927-Q930 VanDerWaalsContact O-N 3.17Å; G928-Q930 PolarHBondContact O-N 3.28Å; G928-Q930 VanDerWaalsContact O-N 3.1Å; Q930-R963 PolarHBondContact O-NH2 2.77Å
931P60.5Low68.5Low104 Ų10456.1 Ų56.168%0.67530%0.302SS*.PPolyproline II helixtrans-60.5149.716828.6-34.5000109.8
932P62.4Low68.9Low59 Ų5956.1 Ų56.138%0.38330%0.302SS..PPolyproline II helixtrans-59.2141.7170-1630.4000109.3F961P932-F961 HydrophobicContact CB-CD1 4.46Å; P932-F961 HydrophobicContact CB-CD2 4.44Å; P932-F961 HydrophobicContact CB-CG 4.34Å
933P66.5Low69.1Low25 Ų2557.5 Ų57.516%0.16232%0.317CS..PPolyproline II helixtrans-66151.6172.931-33.7000108.8I896 E935 Y937 I938 F961I896-P933 HydrophobicContact CD1-CB 4.43Å; I896-P933 HydrophobicContact CD1-CG 3.84Å; I896-P933 HydrophobicContact CG1-CG 4.29Å; P933-E935 PolarHBondContact O-N 2.71Å; P933-Y937 HydrophobicContact CB-CD1 4.18Å; P933-I938 HydrophobicContact CG-CD1 4.06Å; P933-I938 HydrophobicContact CG-CG1 4.17Å; P933-F961 HydrophobicContact CG-CE1 3.68Å; P933-F961 HydrophobicContact CG-CZ 4.08Å; P933-F961 WeakPolarHBondContact O-CZ 3.41Å
934E72.1Confident69.5Low139 Ų13957.3 Ų57.365%0.6532%0.316SS*.PPolyproline II helixtrans-56.3138.4174-65.1-174.2164.800110.1M936 Y937E934-M936 PolarHBondContact O-N 3.08Å; E934-Y937 WeakPolarHBondContact O-CB 3.49Å; E934-Y937 PolarHBondContact O-N 2.68Å
935E71.6Confident69.7Low116 Ų11660 Ų6054%0.54234%0.338SS..Hα-helixtrans-54.8-31.3178.1-172.9-178.6176.300111.5P933 Y937 I938 T939 L959P933-E935 PolarHBondContact O-N 2.71Å; E935-Y937 VanDerWaalsContact C-N 3.29Å; E935-Y937 PolarHBondContact O-N 2.92Å; E935-I938 PolarHBondContact O-N 3.07Å; E935-T939 HydrophobicContact CG-CG2 4.2Å; E935-T939 WeakPolarHBondContact O-CB 3.2Å; E935-T939 WeakPolarHBondContact O-CG2 3.34Å; E935-T939 PolarHBondContact O-N 3.4Å; E935-T939 PolarHBondContact O-OG1 3.2Å; E935-L959 HydrophobicContact CG-CD2 4.37Å
936M73.7Confident70.4Confident113 Ų11363.4 Ų63.456%0.55736%0.356SS*.Hα-helixtrans-60.2-31.7174-167.8172.765.500113.2E934 T939 N940E934-M936 PolarHBondContact O-N 3.08Å; M936-T939 VanDerWaalsContact CA-OG1 3.31Å; M936-T939 WeakPolarHBondContact CA-OG1 3.48Å; M936-T939 PolarHBondContact O-OG1 3.26Å; M936-N940 WeakPolarHBondContact O-CB 3.26Å; M936-N940 PolarHBondContact O-N 3.07Å; M936-N940 PolarHBondContact O-ND2 3.29Å; M936-N940 VanDerWaalsContact O-ND2 3.12Å
937Y78.3Confident71Confident146 Ų14669.2 Ų69.257%0.57339%0.387SS*.Hα-helixtrans-68.7-48.8177179.6-105.6000111.8I900 P933 E934 E935 G941I900-Y937 HydrophobicContact CD1-CD1 4.27Å; I900-Y937 HydrophobicContact CD1-CE1 3.71Å; P933-Y937 HydrophobicContact CB-CD1 4.18Å; E934-Y937 WeakPolarHBondContact O-CB 3.49Å; E934-Y937 PolarHBondContact O-N 2.68Å; E935-Y937 VanDerWaalsContact C-N 3.29Å; E935-Y937 PolarHBondContact O-N 2.92Å; Y937-G941 PolarHBondContact O-N 3.3Å
938I74.4Confident71.9Confident1 Ų174.1 Ų74.11%0.00541%0.411CS..Hα-helixtrans-69.7-40.6-179.7-51.3-63.5000110.8M894 I900 V924 P933 E935 G941 L942 L959 F961M894-I938 HydrophobicContact SD-CG2 4.38Å; I900-I938 HydrophobicContact CD1-CD1 3.7Å; V924-I938 HydrophobicContact CG2-CG2 4.36Å; P933-I938 HydrophobicContact CG-CD1 4.06Å; P933-I938 HydrophobicContact CG-CG1 4.17Å; E935-I938 PolarHBondContact O-N 3.07Å; I938-G941 PolarHBondContact O-N 2.9Å; I938-L942 HydrophobicContact CG2-CD1 4.06Å; I938-L942 WeakPolarHBondContact O-CB 3.11Å; I938-L942 WeakPolarHBondContact O-CG 3.43Å; I938-L942 PolarHBondContact O-N 3.3Å; I938-L959 HydrophobicContact CB-CD1 4.22Å; I938-L959 HydrophobicContact CB-CD2 4.08Å; I938-L959 HydrophobicContact CG1-CD2 4.21Å; I938-L959 HydrophobicContact CG2-CD1 3.71Å; I938-L959 HydrophobicContact CG2-CD2 4.2Å; I938-F961 HydrophobicContact CG1-CE1 4.3Å; I938-F961 HydrophobicContact CG1-CZ 4.3Å
939T79.3Confident73Confident26 Ų2673.9 Ų73.916%0.1640%0.402CS..Hα-helixtrans-69.3-40178.750.90000112.8E935 M936 G943 L944E935-T939 HydrophobicContact CG-CG2 4.2Å; E935-T939 WeakPolarHBondContact O-CB 3.2Å; E935-T939 WeakPolarHBondContact O-CG2 3.34Å; E935-T939 PolarHBondContact O-N 3.4Å; E935-T939 PolarHBondContact O-OG1 3.2Å; M936-T939 VanDerWaalsContact CA-OG1 3.31Å; M936-T939 WeakPolarHBondContact CA-OG1 3.48Å; M936-T939 PolarHBondContact O-OG1 3.26Å; T939-G943 PolarHBondContact O-N 2.83Å; T939-L944 PolarHBondContact O-N 3.27Å
940N80.8Confident74.1Confident88 Ų8871.1 Ų71.147%0.47138%0.38SS..Hα-helixtrans-60.9-46.9168.7-77.1-23.6000111.3M936 L942 G943 A945M936-N940 WeakPolarHBondContact O-CB 3.26Å; M936-N940 PolarHBondContact O-N 3.07Å; M936-N940 PolarHBondContact O-ND2 3.29Å; M936-N940 VanDerWaalsContact O-ND2 3.12Å; N940-L942 VanDerWaalsContact C-N 3.29Å; N940-L942 PolarHBondContact O-N 3.37Å; N940-G943 PolarHBondContact O-N 3.49Å; N940-A945 WeakPolarHBondContact OD1-CB 3.3Å
941G79.5Confident75.2Confident27 Ų2768.5 Ų68.528%0.27838%0.382SS..Hα-helixtrans-61.6-33.5-178.300000114A904 Y937 I938A904-G941 WeakPolarHBondContact CB-O 3.47Å; Y937-G941 PolarHBondContact O-N 3.3Å; I938-G941 PolarHBondContact O-N 2.9Å
942L79.7Confident76.1Confident1 Ų169.9 Ų69.91%0.00538%0.378CS..THydrogen-bonded Turntrans-86.82.8174-67.8175.9000114.1M894 I900 M903 V922 I938 N940 L944M894-L942 HydrophobicContact CE-CD1 4.17Å; M894-L942 HydrophobicContact CE-CD2 4.28Å; I900-L942 HydrophobicContact CG2-CD2 3.84Å; I900-L942 HydrophobicContact CG2-CG 3.94Å; M903-L942 HydrophobicContact CB-CD2 4.17Å; V922-L942 HydrophobicContact CG1-CD1 4.27Å; V922-L942 HydrophobicContact CG2-CD1 3.99Å; I938-L942 HydrophobicContact CG2-CD1 4.06Å; I938-L942 WeakPolarHBondContact O-CB 3.11Å; I938-L942 WeakPolarHBondContact O-CG 3.43Å; I938-L942 PolarHBondContact O-N 3.3Å; N940-L942 VanDerWaalsContact C-N 3.29Å; N940-L942 PolarHBondContact O-N 3.37Å; L942-L944 HydrophobicContact CB-CD1 4Å; L942-L944 HydrophobicContact CB-CG 3.92Å; L942-L944 HydrophobicContact CD1-CD1 4.14Å; L942-L944 PolarHBondContact O-N 3.28Å
943G79.4Confident76.9Confident31 Ų3169.3 Ų69.332%0.3237%0.368SS..THydrogen-bonded Turntrans725.5-177.200000115.1T939 N940 A945 D946 Y949T939-G943 PolarHBondContact O-N 2.83Å; N940-G943 PolarHBondContact O-N 3.49Å; G943-A945 PolarHBondContact O-N 2.96Å; G943-A945 VanDerWaalsContact O-N 3.13Å; G943-D946 PolarHBondContact O-N 3.08Å; G943-Y949 WeakPolarHBondContact O-CD1 3.43Å
944L79.9Confident77.6Confident5 Ų568.6 Ų68.63%0.02636%0.363CS..THydrogen-bonded Turntrans-72-2.5-176.2-61.9174.7000114.1L920 T939 L942 Y949 R950 F954L920-L944 HydrophobicContact CD2-CD1 3.86Å; L920-L944 HydrophobicContact CD2-CD2 3.98Å; T939-L944 PolarHBondContact O-N 3.27Å; L942-L944 HydrophobicContact CB-CD1 4Å; L942-L944 HydrophobicContact CB-CG 3.92Å; L942-L944 HydrophobicContact CD1-CD1 4.14Å; L942-L944 PolarHBondContact O-N 3.28Å; L944-Y949 HydrophobicContact CD2-CE1 4.32Å; L944-R950 WeakPolarHBondContact O-CD 3.46Å; L944-F954 HydrophobicContact CD2-CD2 3.89Å; L944-F954 HydrophobicContact CD2-CE2 3.68Å; L944-F954 HydrophobicContact CD2-CZ 4.38Å
945A76.3Confident78Confident55 Ų5564.7 Ų64.746%0.45535%0.351SS..THydrogen-bonded Turntrans-88.7-11.1175.600000114.1N940 G943 D947N940-A945 WeakPolarHBondContact OD1-CB 3.3Å; G943-A945 PolarHBondContact O-N 2.96Å; G943-A945 VanDerWaalsContact O-N 3.13Å; A945-D947 PolarHBondContact O-N 3.28Å
946D80.5Confident78.3Confident78 Ų7861.3 Ų61.342%0.41734%0.338SS..  trans-81.9109.3163.1170.727.4000108.9G943 N948 Y949 R950G943-D946 PolarHBondContact O-N 3.08Å; D946-N948 PolarHBondContact O-N 3.27Å; D946-N948 WeakPolarHBondContact OD1-CB 3.47Å; D946-N948 PolarHBondContact OD1-N 3.12Å; D946-N948 PolarHBondContact OD1-ND2 3.12Å; D946-Y949 PolarHBondContact O-N 3.05Å; D946-Y949 VanDerWaalsContact O-N 3.16Å; D946-Y949 WeakPolarHBondContact OD2-CB 3.26Å; D946-Y949 PolarHBondContact OD2-N 3.1Å; D946-R950 WeakPolarHBondContact O-CB 3.33Å; D946-R950 PolarHBondContact O-N 3.21Å
947D75.8Confident78.4Confident122 Ų12257 Ų5765%0.65232%0.319SS*.Hα-helixtrans-59.2-25.5177.7-78-39.5000112.9A945 G951A945-D947 PolarHBondContact O-N 3.28Å; D947-G951 WeakPolarHBondContact O-CA 3.49Å; D947-G951 PolarHBondContact O-N 3.17Å
948N76.4Confident78.2Confident128 Ų12854.5 Ų54.568%0.68431%0.308SS*.Hα-helixtrans-71.1-48.2175.2-55.4-83.8000110.8D946 K952D946-N948 PolarHBondContact O-N 3.27Å; D946-N948 WeakPolarHBondContact OD1-CB 3.47Å; D946-N948 PolarHBondContact OD1-N 3.12Å; D946-N948 PolarHBondContact OD1-ND2 3.12Å; N948-K952 WeakPolarHBondContact O-CB 3.37Å; N948-K952 PolarHBondContact O-N 2.72Å
949Y79Confident78.3Confident21 Ų2155.8 Ų55.88%0.08232%0.315CS..Hα-helixtrans-60-50172.2179.8-110.1000111.3Q908 G943 L944 D946 K952 Y953 F954Q908-Y949 WeakPolarHBondContact CA-OH 3.36Å; Q908-Y949 HydrophobicContact CB-CE2 4.48Å; Q908-Y949 HydrophobicContact CG-CE2 4.02Å; G943-Y949 WeakPolarHBondContact O-CD1 3.43Å; L944-Y949 HydrophobicContact CD2-CE1 4.32Å; D946-Y949 PolarHBondContact O-N 3.05Å; D946-Y949 VanDerWaalsContact O-N 3.16Å; D946-Y949 WeakPolarHBondContact OD2-CB 3.26Å; D946-Y949 PolarHBondContact OD2-N 3.1Å; Y949-K952 PolarHBondContact O-N 2.94Å; Y949-Y953 AromaticContact CD2-CD2 3.38Å; Y949-Y953 HydrophobicContact CD2-CD2 3.38Å; Y949-Y953 AromaticContact CD2-CE2 3.68Å; Y949-Y953 HydrophobicContact CD2-CE2 3.68Å; Y949-Y953 AromaticContact CE2-CD2 3.47Å; Y949-Y953 HydrophobicContact CE2-CD2 3.47Å; Y949-Y953 VanDerWaalsContact CE2-CD2 3.47Å; Y949-Y953 AromaticContact CE2-CE2 3.82Å; Y949-Y953 HydrophobicContact CE2-CE2 3.82Å; Y949-Y953 HydrophobicContact CE2-CG 4.31Å; Y949-Y953 HydrophobicContact CG-CD2 4.25Å; Y949-Y953 WeakPolarHBondContact O-CB 3.43Å; Y949-Y953 WeakPolarHBondContact O-CD2 3.49Å; Y949-Y953 PolarHBondContact O-N 3.15Å; Y949-Y953 VanDerWaalsContact O-N 3.13Å; Y949-F954 AromaticContact CE1-CE2 3.91Å; Y949-F954 HydrophobicContact CE1-CE2 3.91Å
950R77.6Confident77.9Confident99 Ų9955 Ų5537%0.37431%0.309SS..Hα-helixtrans-59.8-53.9-178.9-169.3-176.7-174.4168.51111.8L944 D946 K952 Y953 F954L944-R950 WeakPolarHBondContact O-CD 3.46Å; D946-R950 WeakPolarHBondContact O-CB 3.33Å; D946-R950 PolarHBondContact O-N 3.21Å; R950-K952 PolarHBondContact O-N 3.14Å; R950-Y953 PolarHBondContact O-N 2.5Å; R950-F954 WeakPolarHBondContact O-CA 3.26Å; R950-F954 PolarHBondContact O-N 3.25Å
951G75Confident77.3Confident54 Ų5453.8 Ų53.856%0.55730%0.3SS*.Hα-helixtrans-70.6-26.4-176.900000114.5D947D947-G951 WeakPolarHBondContact O-CA 3.49Å; D947-G951 PolarHBondContact O-N 3.17Å
952K80.7Confident76.5Confident133 Ų13352.7 Ų52.758%0.57829%0.288SS*.Hα-helixtrans-74.3-38.6175-179.1-179176.6-162.80112.6N948 Y949 R950N948-K952 WeakPolarHBondContact O-CB 3.37Å; N948-K952 PolarHBondContact O-N 2.72Å; Y949-K952 PolarHBondContact O-N 2.94Å; R950-K952 PolarHBondContact O-N 3.14Å
953Y78.6Confident75.5Confident47 Ų4756.8 Ų56.818%0.18430%0.304CS..Hα-helixtrans-109.4-20.1-167.6-70.5-64.8000114.6V911 P917 V918 Y949 R950V911-Y953 HydrophobicContact CB-CD1 4.41Å; V911-Y953 HydrophobicContact CG1-CD1 3.92Å; V911-Y953 HydrophobicContact CG1-CG 4.21Å; V911-Y953 WeakPolarHBondContact CG1-O 3.34Å; V911-Y953 WeakPolarHBondContact O-CD1 3.4Å; P917-Y953 CarbonylContact C-O 3.5Å; P917-Y953 WeakPolarHBondContact CA-O 3.48Å; V918-Y953 PolarHBondContact N-O 3.19Å; Y949-Y953 AromaticContact CD2-CD2 3.38Å; Y949-Y953 HydrophobicContact CD2-CD2 3.38Å; Y949-Y953 AromaticContact CD2-CE2 3.68Å; Y949-Y953 HydrophobicContact CD2-CE2 3.68Å; Y949-Y953 AromaticContact CE2-CD2 3.47Å; Y949-Y953 HydrophobicContact CE2-CD2 3.47Å; Y949-Y953 VanDerWaalsContact CE2-CD2 3.47Å; Y949-Y953 AromaticContact CE2-CE2 3.82Å; Y949-Y953 HydrophobicContact CE2-CE2 3.82Å; Y949-Y953 HydrophobicContact CE2-CG 4.31Å; Y949-Y953 HydrophobicContact CG-CD2 4.25Å; Y949-Y953 WeakPolarHBondContact O-CB 3.43Å; Y949-Y953 WeakPolarHBondContact O-CD2 3.49Å; Y949-Y953 PolarHBondContact O-N 3.15Å; Y949-Y953 VanDerWaalsContact O-N 3.13Å; R950-Y953 PolarHBondContact O-N 2.5Å
954F82Confident74Confident10 Ų1057.8 Ų57.84%0.04431%0.306CS..EExtended strand (participates in β ladder)trans-129.6136.2-176.2-55.5-77.7000113.6L907 V911 V918 L920 L944 Y949 R950 C957L907-F954 HydrophobicContact CD1-CE1 4.33Å; L907-F954 HydrophobicContact CD1-CZ 4.09Å; L907-F954 HydrophobicContact CD2-CZ 4.06Å; L907-F954 HydrophobicContact CG-CZ 4.08Å; V911-F954 HydrophobicContact CB-CZ 4.32Å; V911-F954 HydrophobicContact CG1-CE1 4.25Å; V911-F954 HydrophobicContact CG1-CZ 4.35Å; V911-F954 HydrophobicContact CG2-CE1 3.81Å; V911-F954 HydrophobicContact CG2-CZ 3.81Å; V918-F954 HydrophobicContact CG2-CD1 3.72Å; V918-F954 HydrophobicContact CG2-CE1 3.89Å; V918-F954 CarbonylContact O-C 3.55Å; V918-F954 WeakPolarHBondContact O-CA 3.34Å; L920-F954 HydrophobicContact CB-CD1 3.61Å; L920-F954 HydrophobicContact CB-CE1 3.81Å; L920-F954 HydrophobicContact CB-CG 4.44Å; L920-F954 HydrophobicContact CD1-CE1 4.41Å; L920-F954 HydrophobicContact CD2-CD1 4.18Å; L920-F954 HydrophobicContact CD2-CE1 3.8Å; L920-F954 HydrophobicContact CD2-CZ 4.01Å; L920-F954 HydrophobicContact CG-CD1 4.45Å; L920-F954 HydrophobicContact CG-CE1 4.22Å; L944-F954 HydrophobicContact CD2-CD2 3.89Å; L944-F954 HydrophobicContact CD2-CE2 3.68Å; L944-F954 HydrophobicContact CD2-CZ 4.38Å; Y949-F954 AromaticContact CE1-CE2 3.91Å; Y949-F954 HydrophobicContact CE1-CE2 3.91Å; R950-F954 WeakPolarHBondContact O-CA 3.26Å; R950-F954 PolarHBondContact O-N 3.25Å; F954-C957 VanDerWaalsContact CB-SG 3.59Å
955S78.5Confident72.3Confident57 Ų5761.8 Ų61.840%0.39933%0.327SS..EExtended strand (participates in β ladder)trans-93.9-23.117654.70000113.8P917 V918P917-S955 WeakPolarHBondContact O-CB 3.09Å; P917-S955 PolarHBondContact O-OG 3.32Å; P917-S955 VanDerWaalsContact O-OG 3.06Å; V918-S955 PolarHBondContact O-N 3.22Å; V918-S955 PolarHBondContact O-OG 3.13Å
956V77.9Confident70.5Confident45 Ų4565.2 Ų65.227%0.27334%0.337SS..EExtended strand (participates in β ladder)trans-153.4138.9168.2-163.20000108.2Q919 L920 F982Q919-V956 WeakPolarHBondContact CA-O 3.42Å; Q919-V956 HydrophobicContact CG-CB 4.39Å; Q919-V956 HydrophobicContact CG-CG2 4.21Å; L920-V956 PolarHBondContact N-O 3.04Å; V956-F982 HydrophobicContact CB-CE2 3.99Å; V956-F982 HydrophobicContact CB-CZ 4.24Å; V956-F982 HydrophobicContact CG1-CD2 4.46Å; V956-F982 HydrophobicContact CG1-CE2 3.65Å; V956-F982 HydrophobicContact CG1-CZ 4.37Å
957C76.7Confident68.5Low23 Ų2364.3 Ų64.316%0.15533%0.332CS..EExtended strand (participates in β ladder)trans-120.1138165.5-46.70000109.8L920 F954L920-C957 CarbonylContact O-C 3.55Å; L920-C957 VanDerWaalsContact O-CA 3.25Å; L920-C957 WeakPolarHBondContact O-CA 3.46Å; F954-C957 VanDerWaalsContact CB-SG 3.59Å
958R75.1Confident66.8Low94 Ų9462.8 Ų62.836%0.35532%0.32SS..EExtended strand (participates in β ladder)trans-129.4150.6164.6-85.6-162.8-166.7-160.513.4110.8L920 L921 V922 E978 F982L920-R958 PolarHBondContact O-N 3.26Å; L921-R958 HydrophobicContact CD1-CB 3.74Å; V922-R958 PolarHBondContact N-O 3.05Å; R958-E978 IonicContact NH1-OE1 3.11Å; R958-E978 PolarHBondContact NH1-OE1 3.02Å; R958-F982 HydrophobicContact CB-CD2 4.07Å; R958-F982 HydrophobicContact CB-CE2 3.83Å; R958-F982 HydrophobicContact CG-CD2 3.73Å; R958-F982 HydrophobicContact CG-CE2 3.73Å
959L75.7Confident65Low27 Ų2759.8 Ų59.814%0.14131%0.309CS..EExtended strand (participates in β ladder)trans-119.3135.9171.4-143.7102.1000109.1V922 V924 E935 I938 F961V922-L959 HydrophobicContact CB-CD1 3.65Å; V922-L959 HydrophobicContact CB-CG 4.13Å; V922-L959 HydrophobicContact CG1-CD1 3.9Å; V922-L959 HydrophobicContact CG1-CG 4.4Å; V922-L959 HydrophobicContact CG2-CD1 4.07Å; V922-L959 CarbonylContact O-C 3.49Å; V922-L959 WeakPolarHBondContact O-CA 3.34Å; V924-L959 HydrophobicContact CG2-CD2 4.16Å; V924-L959 HydrophobicContact CG2-CG 4.39Å; E935-L959 HydrophobicContact CG-CD2 4.37Å; I938-L959 HydrophobicContact CB-CD1 4.22Å; I938-L959 HydrophobicContact CB-CD2 4.08Å; I938-L959 HydrophobicContact CG1-CD2 4.21Å; I938-L959 HydrophobicContact CG2-CD1 3.71Å; I938-L959 HydrophobicContact CG2-CD2 4.2Å; L959-F961 HydrophobicContact CD2-CD2 4.42Å; L959-F961 HydrophobicContact CD2-CE1 3.95Å; L959-F961 HydrophobicContact CD2-CE2 3.68Å; L959-F961 HydrophobicContact CD2-CZ 3.41Å; L959-F961 VanDerWaalsContact CD2-CZ 3.41Å
960I70.2Confident63Low9 Ų965.2 Ų65.25%0.04634%0.335CS..EExtended strand (participates in β ladder)trans-126.1132.8175.1-55.8-177.5000108.6L921 V922 V924 L975 E978L921-I960 HydrophobicContact CD1-CD1 3.84Å; L921-I960 HydrophobicContact CD1-CG1 4.04Å; V922-I960 PolarHBondContact O-N 3.3Å; V924-I960 PolarHBondContact N-O 3.42Å; I960-L975 HydrophobicContact CD1-CD2 4.25Å; I960-L975 HydrophobicContact CG2-CD2 3.92Å; I960-E978 HydrophobicContact CD1-CB 3.94Å
961F68.1Low61.5Low64 Ų6462.4 Ų62.428%0.28133%0.326SS..EExtended strand (participates in β ladder)trans-104.1129.2171.5-65.8-75.4000110.3V924 P932 P933 I938 L959V924-F961 HydrophobicContact CB-CD1 3.73Å; V924-F961 HydrophobicContact CB-CE1 3.97Å; V924-F961 HydrophobicContact CG1-CD1 4.02Å; V924-F961 HydrophobicContact CG1-CE1 4.04Å; V924-F961 HydrophobicContact CG2-CD1 4.36Å; V924-F961 HydrophobicContact CG2-CE1 4.21Å; V924-F961 WeakPolarHBondContact O-CA 3.44Å; P932-F961 HydrophobicContact CB-CD1 4.46Å; P932-F961 HydrophobicContact CB-CD2 4.44Å; P932-F961 HydrophobicContact CB-CG 4.34Å; P933-F961 HydrophobicContact CG-CE1 3.68Å; P933-F961 HydrophobicContact CG-CZ 4.08Å; P933-F961 WeakPolarHBondContact O-CZ 3.41Å; I938-F961 HydrophobicContact CG1-CE1 4.3Å; I938-F961 HydrophobicContact CG1-CZ 4.3Å; L959-F961 HydrophobicContact CD2-CD2 4.42Å; L959-F961 HydrophobicContact CD2-CE1 3.95Å; L959-F961 HydrophobicContact CD2-CE2 3.68Å; L959-F961 HydrophobicContact CD2-CZ 3.41Å; L959-F961 VanDerWaalsContact CD2-CZ 3.41Å
962S63.8Low60Low4 Ų464.7 Ų64.73%0.02832%0.318CS..EExtended strand (participates in β ladder)trans-113.9138.5171.1159.50000109.8V924 C926 E971V924-S962 PolarHBondContact O-N 2.97Å; C926-S962 PolarHBondContact N-O 3.45Å; S962-E971 WeakPolarHBondContact CB-OE2 3.4Å; S962-E971 PolarHBondContact OG-OE2 3.18Å
963R57.7Low58.2Low87 Ų8762.1 Ų62.133%0.32831%0.314SS..EExtended strand (participates in β ladder)trans-116.6110.8-179.8-78.8173.1132.2-171.4-10.3109.6C926 Q930 D965 E971C926-R963 HydrophobicContact CB-CG 4.21Å; C926-R963 WeakPolarHBondContact O-CA 3.4Å; Q930-R963 PolarHBondContact O-NH2 2.77Å; R963-D965 PolarHBondContact O-N 2.73Å; R963-E971 PolarHBondContact N-OE1 2.96Å; R963-E971 PolarHBondContact N-OE2 3.38Å
964S49.3Very low56.8Low51 Ų5165.3 Ų65.336%0.35733%0.332SS..THydrogen-bonded Turntrans-617.8-170.549.20000117.5C926C926-S964 PolarHBondContact O-N 3.32Å
965D43.6Very low55.3Low89 Ų8965.4 Ų65.448%0.47633%0.333SS..THydrogen-bonded Turntrans-122.2-4.3-156.4-58.849.4000112.3G928 R963G928-D965 VanDerWaalsContact CA-CG 3.44Å; G928-D965 VanDerWaalsContact CA-OD2 3.29Å; G928-D965 WeakPolarHBondContact CA-OD2 3.19Å; G928-D965 PolarHBondContact N-OD1 3.02Å; G928-D965 PolarHBondContact N-OD2 3.27Å; G928-D965 VanDerWaalsContact N-OD2 3.1Å; R963-D965 PolarHBondContact O-N 2.73Å
966L38.5Very low53.7Low128 Ų12864.4 Ų64.467%0.6732%0.323SS*.SBendtrans-105.9167175-72.8168.1000111.7F968L966-F968 PolarHBondContact O-N 2.79Å
967D39.3Very low52.4Low58 Ų5869.2 Ų69.231%0.3134%0.342SS..  trans-59.1111.8-178.8-102.9-26.4000110.1R682 S969 E970R682-D967 IonicContact CZ-OD1 2.86Å; R682-D967 IonicContact CZ-OD2 3.79Å; R682-D967 IonicContact NE-OD1 3.41Å; R682-D967 PolarHBondContact NE-OD1 3.24Å; R682-D967 VanDerWaalsContact NE-OD1 3.12Å; R682-D967 IonicContact NE-OD2 3.86Å; R682-D967 IonicContact NH2-OD1 3.84Å; R682-D967 PolarHBondContact NH2-OD1 3.18Å; R682-D967 VanDerWaalsContact NH2-OD1 3.16Å; R682-D967 IonicContact NH2-OD2 3.06Å; R682-D967 PolarHBondContact NH2-OD2 3.17Å; D967-S969 PolarHBondContact O-N 2.75Å; D967-E970 PolarHBondContact O-N 2.9Å
968F39.6Very low51.3Low90 Ų9070.6 Ų70.640%0.39535%0.346SS..Hα-helixtrans-54.3-5.5-177.7-165.3-95.2000115.2I841 W844 L966 R972I841-F968 HydrophobicContact CG1-CE2 4.18Å; I841-F968 HydrophobicContact CG2-CE2 4.06Å; W844-F968 HydrophobicContact CD2-CE1 4.19Å; W844-F968 AromaticContact CD2-CZ 3.9Å; W844-F968 HydrophobicContact CD2-CZ 3.9Å; W844-F968 HydrophobicContact CE3-CE1 4.32Å; W844-F968 AromaticContact CE3-CZ 3.86Å; W844-F968 HydrophobicContact CE3-CZ 3.86Å; W844-F968 HydrophobicContact CG-CZ 4.41Å; W844-F968 HydrophobicContact CH2-CE1 4.41Å; W844-F968 HydrophobicContact CZ2-CE1 4.2Å; W844-F968 HydrophobicContact CZ3-CE1 4.44Å; W844-F968 HydrophobicContact CZ3-CZ 4.28Å; L966-F968 PolarHBondContact O-N 2.79Å; F968-R972 VanDerWaalsContact O-CB 3.22Å; F968-R972 WeakPolarHBondContact O-CB 3.36Å
969S37.4Very low50.2Low65 Ų6566.3 Ų66.346%0.45533%0.33SS..Hα-helixtrans-78.1-29.8170.245.10000114.6D967 T973D967-S969 PolarHBondContact O-N 2.75Å; S969-T973 PolarHBondContact O-OG1 2.97Å
970E38.4Very low48.9Very low136 Ų13667.3 Ų67.364%0.63634%0.339SS*.Hα-helixtrans-87-47.8-175.7-69.2-174.5165.100112D967 R972 T973 M974D967-E970 PolarHBondContact O-N 2.9Å; E970-R972 PolarHBondContact O-N 2.93Å; E970-T973 PolarHBondContact O-N 3.33Å; E970-T973 VanDerWaalsContact O-N 3.14Å; E970-T973 PolarHBondContact O-OG1 3.11Å; E970-M974 PolarHBondContact O-N 2.88Å
971E44.8Very low48Very low40 Ų4069.4 Ų69.419%0.18736%0.363CS..Hα-helixtrans-56.3-36.3172.7-68-148.2144.500111.7S962 R963 M974 L975S962-E971 WeakPolarHBondContact CB-OE2 3.4Å; S962-E971 PolarHBondContact OG-OE2 3.18Å; R963-E971 PolarHBondContact N-OE1 2.96Å; R963-E971 PolarHBondContact N-OE2 3.38Å; E971-M974 PolarHBondContact O-N 2.9Å; E971-L975 WeakPolarHBondContact O-CB 3.37Å; E971-L975 PolarHBondContact O-N 3Å
972R44.5Very low47.3Very low101 Ų10166.9 Ų66.938%0.38135%0.352SS..Hα-helixtrans-56.8-50.9175.8168.2166.6-173.31783.2112.4W844 F968 E970 M974 L975 D976W844-R972 HydrophobicContact CH2-CB 4.35Å; W844-R972 HydrophobicContact CH2-CG 3.78Å; F968-R972 VanDerWaalsContact O-CB 3.22Å; F968-R972 WeakPolarHBondContact O-CB 3.36Å; E970-R972 PolarHBondContact O-N 2.93Å; R972-M974 VanDerWaalsContact C-N 3.3Å; R972-M974 PolarHBondContact O-N 3.26Å; R972-L975 PolarHBondContact O-N 2.98Å; R972-D976 WeakPolarHBondContact CG-OD2 3.21Å; R972-D976 IonicContact NE-OD2 2.78Å; R972-D976 PolarHBondContact NE-OD2 2.74Å; R972-D976 WeakPolarHBondContact O-CB 3.27Å; R972-D976 VanDerWaalsContact O-CG 3.27Å; R972-D976 PolarHBondContact O-N 3.28Å
973T42.6Very low46.6Very low79 Ų7969.5 Ų69.549%0.48537%0.365SS..Hα-helixtrans-61.9-38.9178.620.90000111.9S969 E970 E977S969-T973 PolarHBondContact O-OG1 2.97Å; E970-T973 PolarHBondContact O-N 3.33Å; E970-T973 VanDerWaalsContact O-N 3.14Å; E970-T973 PolarHBondContact O-OG1 3.11Å; T973-E977 WeakPolarHBondContact O-CB 3.39Å; T973-E977 WeakPolarHBondContact O-CG 3.26Å; T973-E977 PolarHBondContact O-N 3.24Å
974M48.6Very low45.9Very low115 Ų11573.1 Ų73.157%0.56738%0.379SS*.Hα-helixtrans-67.1-44177.6-175.2176.6170.700112.1E970 E971 R972 E977 E978E970-M974 PolarHBondContact O-N 2.88Å; E971-M974 PolarHBondContact O-N 2.9Å; R972-M974 VanDerWaalsContact C-N 3.3Å; R972-M974 PolarHBondContact O-N 3.26Å; M974-E977 PolarHBondContact O-N 2.78Å; M974-E978 HydrophobicContact CG-CG 4.47Å; M974-E978 WeakPolarHBondContact O-CB 3.4Å; M974-E978 WeakPolarHBondContact O-CG 3.33Å; M974-E978 PolarHBondContact O-N 2.78Å
975L50.6Low45.2Very low12 Ų1278.2 Ų78.26%0.06340%0.397CS..Hα-helixtrans-63-46.6174.7-83.7158.3000111.8I923 I960 E971 R972 E977 E978 I979I923-L975 HydrophobicContact CD1-CD2 4.42Å; I960-L975 HydrophobicContact CD1-CD2 4.25Å; I960-L975 HydrophobicContact CG2-CD2 3.92Å; E971-L975 WeakPolarHBondContact O-CB 3.37Å; E971-L975 PolarHBondContact O-N 3Å; R972-L975 PolarHBondContact O-N 2.98Å; L975-E977 VanDerWaalsContact C-N 3.32Å; L975-E977 PolarHBondContact O-N 2.86Å; L975-E978 PolarHBondContact O-N 2.91Å; L975-I979 HydrophobicContact CB-CD1 4.44Å; L975-I979 HydrophobicContact CD2-CD1 4.25Å; L975-I979 WeakPolarHBondContact O-CB 3.49Å; L975-I979 VanDerWaalsContact O-CD1 3.29Å; L975-I979 WeakPolarHBondContact O-CD1 3.44Å; L975-I979 WeakPolarHBondContact O-CG1 3.46Å; L975-I979 PolarHBondContact O-N 2.58Å
976D46Very low44.4Very low35 Ų3579.2 Ų79.219%0.18741%0.408CS..Hα-helixtrans-58.7-42.9177.3-73.5-25.1000110.2R972 C980R972-D976 WeakPolarHBondContact CG-OD2 3.21Å; R972-D976 IonicContact NE-OD2 2.78Å; R972-D976 PolarHBondContact NE-OD2 2.74Å; R972-D976 WeakPolarHBondContact O-CB 3.27Å; R972-D976 VanDerWaalsContact O-CG 3.27Å; R972-D976 PolarHBondContact O-N 3.28Å; D976-C980 WeakPolarHBondContact O-CB 3.48Å; D976-C980 PolarHBondContact O-N 3.2Å; D976-C980 PolarHBondContact O-SG 2.91Å; D976-C980 VanDerWaalsContact O-SG 3.34Å
977E51.1Low44.1Very low147 Ų14776.8 Ų76.869%0.68740%0.399SS*.Hα-helixtrans-69.5-47.8176.7-76.4-176-178.300113.9T973 M974 L975 I979 C980 G981T973-E977 WeakPolarHBondContact O-CB 3.39Å; T973-E977 WeakPolarHBondContact O-CG 3.26Å; T973-E977 PolarHBondContact O-N 3.24Å; M974-E977 PolarHBondContact O-N 2.78Å; L975-E977 VanDerWaalsContact C-N 3.32Å; L975-E977 PolarHBondContact O-N 2.86Å; E977-I979 PolarHBondContact O-N 3.3Å; E977-C980 PolarHBondContact O-N 3.19Å; E977-G981 PolarHBondContact O-N 2.88Å
978E52.8Low43.6Very low51 Ų5178.1 Ų78.124%0.23841%0.412CS..Hα-helixtrans-65.1-37.9-178.2-76.7-141.498.100112.7R958 I960 M974 L975 G981 F982R958-E978 IonicContact NH1-OE1 3.11Å; R958-E978 PolarHBondContact NH1-OE1 3.02Å; I960-E978 HydrophobicContact CD1-CB 3.94Å; M974-E978 HydrophobicContact CG-CG 4.47Å; M974-E978 WeakPolarHBondContact O-CB 3.4Å; M974-E978 WeakPolarHBondContact O-CG 3.33Å; M974-E978 PolarHBondContact O-N 2.78Å; L975-E978 PolarHBondContact O-N 2.91Å; E978-G981 CarbonylContact O-C 3.57Å; E978-G981 PolarHBondContact O-N 2.96Å; E978-F982 WeakPolarHBondContact O-CB 3.17Å; E978-F982 PolarHBondContact O-N 3.45Å
979I51.1Low42.9Very low4 Ų481.6 Ų81.62%0.02144%0.435CS..Hα-helixtrans-70.6-41.6178.9-62.7164.6000110.3L849 L921 L975 E977 G981 F982 L983L849-I979 HydrophobicContact CD1-CD1 4.31Å; L849-I979 HydrophobicContact CD1-CG2 3.97Å; L849-I979 HydrophobicContact CD2-CB 4.43Å; L849-I979 HydrophobicContact CD2-CD1 4.48Å; L849-I979 HydrophobicContact CD2-CG2 3.64Å; L849-I979 HydrophobicContact CG-CG2 4.46Å; L921-I979 HydrophobicContact CD2-CG1 3.85Å; L975-I979 HydrophobicContact CB-CD1 4.44Å; L975-I979 HydrophobicContact CD2-CD1 4.25Å; L975-I979 WeakPolarHBondContact O-CB 3.49Å; L975-I979 VanDerWaalsContact O-CD1 3.29Å; L975-I979 WeakPolarHBondContact O-CD1 3.44Å; L975-I979 WeakPolarHBondContact O-CG1 3.46Å; L975-I979 PolarHBondContact O-N 2.58Å; E977-I979 PolarHBondContact O-N 3.3Å; I979-G981 VanDerWaalsContact C-N 3.27Å; I979-G981 PolarHBondContact O-N 2.89Å; I979-F982 PolarHBondContact O-N 3.39Å; I979-F982 VanDerWaalsContact O-N 3.12Å; I979-L983 HydrophobicContact CG2-CD1 4.36Å; I979-L983 PolarHBondContact O-N 3.39Å
980C48.4Very low42.3Very low48 Ų4883.1 Ų83.132%0.32445%0.445SS..Hα-helixtrans-64.4-29.7172.1-76.70000113.1D976 E977D976-C980 WeakPolarHBondContact O-CB 3.48Å; D976-C980 PolarHBondContact O-N 3.2Å; D976-C980 PolarHBondContact O-SG 2.91Å; D976-C980 VanDerWaalsContact O-SG 3.34Å; E977-C980 PolarHBondContact O-N 3.19Å
981G52.6Low41.8Very low53 Ų5377.7 Ų77.755%0.54642%0.421SS..Hα-helixtrans-79.1-12.5172.100000115.1E977 E978 I979E977-G981 PolarHBondContact O-N 2.88Å; E978-G981 CarbonylContact O-C 3.57Å; E978-G981 PolarHBondContact O-N 2.96Å; I979-G981 VanDerWaalsContact C-N 3.27Å; I979-G981 PolarHBondContact O-N 2.89Å
982F53.1Low41.1Very low12 Ų1279.4 Ų79.45%0.05343%0.427CS..Hα-helixtrans-91.2-41.5178-171.1-110.3000112.2Q919 L920 L921 V956 R958 E978 I979 R984Q919-F982 HydrophobicContact CB-CE1 3.87Å; Q919-F982 HydrophobicContact CB-CZ 3.97Å; L920-F982 VanDerWaalsContact O-CZ 3.29Å; L920-F982 WeakPolarHBondContact O-CZ 3.35Å; L921-F982 HydrophobicContact CB-CD1 4.17Å; L921-F982 HydrophobicContact CB-CE1 3.85Å; L921-F982 HydrophobicContact CB-CZ 4.38Å; V956-F982 HydrophobicContact CB-CE2 3.99Å; V956-F982 HydrophobicContact CB-CZ 4.24Å; V956-F982 HydrophobicContact CG1-CD2 4.46Å; V956-F982 HydrophobicContact CG1-CE2 3.65Å; V956-F982 HydrophobicContact CG1-CZ 4.37Å; R958-F982 HydrophobicContact CB-CD2 4.07Å; R958-F982 HydrophobicContact CB-CE2 3.83Å; R958-F982 HydrophobicContact CG-CD2 3.73Å; R958-F982 HydrophobicContact CG-CE2 3.73Å; E978-F982 WeakPolarHBondContact O-CB 3.17Å; E978-F982 PolarHBondContact O-N 3.45Å; I979-F982 PolarHBondContact O-N 3.39Å; I979-F982 VanDerWaalsContact O-N 3.12Å; F982-R984 PolarHBondContact O-N 3.48Å
983L49.2Very low40.3Very low58 Ų5880.9 Ų80.930%0.30444%0.438SS..SBendtrans-70.7113.4177.1-63.6173000110.2I979 H985I979-L983 HydrophobicContact CG2-CD1 4.36Å; I979-L983 PolarHBondContact O-N 3.39Å; L983-H985 PolarHBondContact O-N 2.83Å
984R42Very low39.7Very low164 Ų16479.1 Ų79.162%0.61942%0.424SS*.SBendtrans-64.15.7-168.1-65-170.4-176.9-164.62.1117.3F982F982-R984 PolarHBondContact O-N 3.48Å
985H35.4Very low38.8Very low157 Ų15776.8 Ų76.873%0.72741%0.413SS*.SBendtrans-128.3123.7169.3-72.1-57.1000109.8L983 V987L983-H985 PolarHBondContact O-N 2.83Å; H985-V987 PolarHBondContact O-N 2.85Å
986P27.5Very low37.8Very low110 Ų11082.6 Ų82.671%0.71443%0.434SS*.  trans-67.9110.5-179.827.7-33.6000109.9S988P986-S988 PolarHBondContact O-N 3.31Å; P986-S988 VanDerWaalsContact O-N 3.14Å
987V31.2Very low37.1Very low78 Ų7881.9 Ų81.947%0.47344%0.435SS..  trans-66111.3167-167.40000106.4H985H985-V987 PolarHBondContact O-N 2.85Å
988S29Very low36.3Very low86 Ų8680.6 Ų80.660%0.60143%0.425SS*.  trans-58.2148.7-159.156.10000114.1P986 C990 S991P986-S988 PolarHBondContact O-N 3.31Å; P986-S988 VanDerWaalsContact O-N 3.14Å; S988-C990 PolarHBondContact O-N 3.02Å; S988-S991 VanDerWaalsContact O-CB 3.26Å; S988-S991 WeakPolarHBondContact O-CB 3.44Å; S988-S991 PolarHBondContact O-N 2.8Å; S988-S991 PolarHBondContact O-OG 3.18Å
989N24.5Very low35.3Very low162 Ų16281.2 Ų81.287%0.86644%0.435SS*.THydrogen-bonded Turntrans-6412.4-161.2-66.74.9000117.7
990C25.8Very low34.6Very low98 Ų9887 Ų8766%0.66247%0.466SS*.THydrogen-bonded Turntrans-115.98.8175.6-58.90000113.5S988S988-C990 PolarHBondContact O-N 3.02Å
991S27.4Very low33.9Very low21 Ų2186.6 Ų86.615%0.14746%0.459CS..  trans-92.6-23.1-157.448.70000117.5S988 F994 L995S988-S991 VanDerWaalsContact O-CB 3.26Å; S988-S991 WeakPolarHBondContact O-CB 3.44Å; S988-S991 PolarHBondContact O-N 2.8Å; S988-S991 PolarHBondContact O-OG 3.18Å; S991-F994 CarbonylContact O-C 3.55Å; S991-F994 WeakPolarHBondContact O-CA 3.45Å; S991-F994 WeakPolarHBondContact O-CB 3.27Å; S991-F994 PolarHBondContact O-N 3.4Å; S991-F994 VanDerWaalsContact O-N 3.1Å; S991-L995 PolarHBondContact O-N 3Å
992Y29.9Very low33.1Very low76 Ų7685.6 Ų85.630%0.29844%0.444SS..Hα-helixtrans-77.4-43.1-168.1-94.2-80.8000116L849 F994L849-Y992 WeakPolarHBondContact CD2-OH 3.43Å; Y992-F994 PolarHBondContact O-N 3.12Å
993E28.5Very low32.4Very low132 Ų13286 Ų8662%0.61745%0.451SS*.Hα-helixtrans-66.1-21.4164.9-83.2-64110.800110.8R996E993-R996 WeakPolarHBondContact O-CB 3.33Å; E993-R996 VanDerWaalsContact OE1-CD 3.25Å; E993-R996 WeakPolarHBondContact OE1-CD 3.36Å; E993-R996 IonicContact OE1-CZ 2.71Å; E993-R996 IonicContact OE1-NE 2.76Å; E993-R996 IonicContact OE1-NH1 3.21Å; E993-R996 PolarHBondContact OE1-NH1 3.4Å; E993-R996 IonicContact OE2-CZ 2.85Å; E993-R996 IonicContact OE2-NH1 2.83Å; E993-R996 PolarHBondContact OE2-NH1 3.07Å
994F29.2Very low31.7Very low43 Ų4385.3 Ų85.319%0.18945%0.454CS..Hα-helixtrans-76.7-44.1-179.1-137.7-81.8000113.7S991 Y992 R996 G997 Y998 I1043S991-F994 CarbonylContact O-C 3.55Å; S991-F994 WeakPolarHBondContact O-CA 3.45Å; S991-F994 WeakPolarHBondContact O-CB 3.27Å; S991-F994 PolarHBondContact O-N 3.4Å; S991-F994 VanDerWaalsContact O-N 3.1Å; Y992-F994 PolarHBondContact O-N 3.12Å; F994-R996 PolarHBondContact O-N 2.98Å; F994-R996 VanDerWaalsContact O-N 3.11Å; F994-G997 PolarHBondContact O-N 2.92Å; F994-Y998 VanDerWaalsContact O-CB 3.31Å; F994-Y998 WeakPolarHBondContact O-CB 3.44Å; F994-Y998 PolarHBondContact O-N 2.99Å; F994-I1043 HydrophobicContact CD1-CD1 4.14Å; F994-I1043 HydrophobicContact CD1-CG1 4.32Å; F994-I1043 HydrophobicContact CD1-CG2 4.21Å; F994-I1043 HydrophobicContact CD2-CD1 3.69Å; F994-I1043 HydrophobicContact CE1-CB 4.35Å; F994-I1043 HydrophobicContact CE1-CD1 3.96Å; F994-I1043 HydrophobicContact CE1-CG1 4.14Å; F994-I1043 HydrophobicContact CE1-CG2 3.31Å; F994-I1043 HydrophobicContact CE2-CD1 3.5Å; F994-I1043 VanDerWaalsContact CE2-CD1 3.5Å; F994-I1043 HydrophobicContact CE2-CG2 4.45Å; F994-I1043 HydrophobicContact CG-CD1 4.04Å; F994-I1043 HydrophobicContact CZ-CB 4.43Å; F994-I1043 HydrophobicContact CZ-CD1 3.67Å; F994-I1043 HydrophobicContact CZ-CG1 4.28Å; F994-I1043 HydrophobicContact CZ-CG2 3.5Å; F994-I1043 VanDerWaalsContact CZ-CG2 3.5Å
995L28.8Very low31.4Very low66 Ų6680.6 Ų80.635%0.34644%0.438SS..Hα-helixtrans-54.4-29.9171.4-82.5164.1000112.7S991 G997 S999S991-L995 PolarHBondContact O-N 3Å; L995-G997 PolarHBondContact O-N 3.21Å; L995-S999 PolarHBondContact O-N 2.89Å; L995-S999 PolarHBondContact O-OG 3.2Å
996R30.7Very low31.4Very low133 Ų13381.5 Ų81.550%0.50244%0.435SS..Hα-helixtrans-60.5-29.4177.2-147.3178.1-176.4-174.34.5113.8E993 F994E993-R996 WeakPolarHBondContact O-CB 3.33Å; E993-R996 VanDerWaalsContact OE1-CD 3.25Å; E993-R996 WeakPolarHBondContact OE1-CD 3.36Å; E993-R996 IonicContact OE1-CZ 2.71Å; E993-R996 IonicContact OE1-NE 2.76Å; E993-R996 IonicContact OE1-NH1 3.21Å; E993-R996 PolarHBondContact OE1-NH1 3.4Å; E993-R996 IonicContact OE2-CZ 2.85Å; E993-R996 IonicContact OE2-NH1 2.83Å; E993-R996 PolarHBondContact OE2-NH1 3.07Å; F994-R996 PolarHBondContact O-N 2.98Å; F994-R996 VanDerWaalsContact O-N 3.11Å
997G31.1Very low31.8Very low20 Ų2081.4 Ų81.421%0.20642%0.422CS..Hα-helixtrans-105.1-38.8172.600000113.3F994 L995 S999 L1000 I1001F994-G997 PolarHBondContact O-N 2.92Å; L995-G997 PolarHBondContact O-N 3.21Å; G997-S999 VanDerWaalsContact C-N 3.31Å; G997-S999 PolarHBondContact O-N 3.12Å; G997-L1000 WeakPolarHBondContact O-CB 3.29Å; G997-L1000 PolarHBondContact O-N 3.41Å; G997-L1000 VanDerWaalsContact O-N 3.08Å; G997-I1001 WeakPolarHBondContact O-CB 3.35Å; G997-I1001 VanDerWaalsContact O-CG1 3.29Å; G997-I1001 WeakPolarHBondContact O-CG1 3.2Å; G997-I1001 PolarHBondContact O-N 3.2Å
998Y33.4Very low32Very low120 Ų12081.3 Ų81.347%0.47142%0.415SS..Hα-helixtrans-55.8-41.2-175.2-173.4-95.9000113.2F994 I1001 C1002F994-Y998 VanDerWaalsContact O-CB 3.31Å; F994-Y998 WeakPolarHBondContact O-CB 3.44Å; F994-Y998 PolarHBondContact O-N 2.99Å; Y998-I1001 PolarHBondContact O-N 2.99Å; Y998-C1002 VanDerWaalsContact CZ-SG 3.55Å; Y998-C1002 VanDerWaalsContact O-CB 3.27Å; Y998-C1002 WeakPolarHBondContact O-CB 3.25Å; Y998-C1002 PolarHBondContact O-N 2.88Å; Y998-C1002 PolarHBondContact O-SG 3.49Å
999S33.5Very low32.3Very low64 Ų6482.5 Ų82.545%0.44841%0.414SS..Hα-helixtrans-62.1-44.4176.2490000113L995 G997 G1003L995-S999 PolarHBondContact O-N 2.89Å; L995-S999 PolarHBondContact O-OG 3.2Å; G997-S999 VanDerWaalsContact C-N 3.31Å; G997-S999 PolarHBondContact O-N 3.12Å; S999-G1003 PolarHBondContact O-N 3.08Å
1000L34.9Very low32.9Very low127 Ų12781.2 Ų81.267%0.66541%0.408SS*.Hα-helixtrans-66.7-41.2176.8-167.575.3000111.7G997 A1004G997-L1000 WeakPolarHBondContact O-CB 3.29Å; G997-L1000 PolarHBondContact O-N 3.41Å; G997-L1000 VanDerWaalsContact O-N 3.08Å; L1000-A1004 WeakPolarHBondContact O-CB 3.28Å; L1000-A1004 PolarHBondContact O-N 2.98Å
1001I34.6Very low33.3Very low38 Ų3880.1 Ų80.120%0.19540%0.395CS..Hα-helixtrans-72.4-45.4-177.3-69.9167.4000111.1G997 Y998 A1004 F1005 V1026 L1030G997-I1001 WeakPolarHBondContact O-CB 3.35Å; G997-I1001 VanDerWaalsContact O-CG1 3.29Å; G997-I1001 WeakPolarHBondContact O-CG1 3.2Å; G997-I1001 PolarHBondContact O-N 3.2Å; Y998-I1001 PolarHBondContact O-N 2.99Å; I1001-A1004 PolarHBondContact O-N 3.42Å; I1001-F1005 HydrophobicContact CG2-CD2 3.62Å; I1001-F1005 HydrophobicContact CG2-CE2 3.61Å; I1001-F1005 VanDerWaalsContact O-CD2 3.27Å; I1001-F1005 WeakPolarHBondContact O-CD2 3.43Å; I1001-F1005 PolarHBondContact O-N 3.34Å; I1001-V1026 HydrophobicContact CD1-CG1 4.23Å; I1001-V1026 HydrophobicContact CG1-CG1 4.39Å; I1001-L1030 HydrophobicContact CD1-CD1 4Å
1002C36.8Very low33.5Very low32 Ų3288.2 Ų88.222%0.21643%0.428CS..Hα-helixtrans-71.2-29.4176.1-71.50000112.9Y998 R1006Y998-C1002 VanDerWaalsContact CZ-SG 3.55Å; Y998-C1002 VanDerWaalsContact O-CB 3.27Å; Y998-C1002 WeakPolarHBondContact O-CB 3.25Å; Y998-C1002 PolarHBondContact O-N 2.88Å; Y998-C1002 PolarHBondContact O-SG 3.49Å; C1002-R1006 WeakPolarHBondContact O-CB 3.35Å; C1002-R1006 VanDerWaalsContact O-CG 3.28Å; C1002-R1006 WeakPolarHBondContact O-CG 3.37Å; C1002-R1006 PolarHBondContact O-N 3.18Å
1003G37.1Very low33.8Very low21 Ų2194 Ų9422%0.21646%0.457CS..Hα-helixtrans-61.2-51.2167.300000111.2S999 F1005 R1006 Y1007S999-G1003 PolarHBondContact O-N 3.08Å; G1003-F1005 PolarHBondContact O-N 3.32Å; G1003-R1006 PolarHBondContact O-N 3.11Å; G1003-Y1007 WeakPolarHBondContact O-CB 3.49Å; G1003-Y1007 PolarHBondContact O-N 3.27Å
1004A34.2Very low34.2Very low44 Ų4491.4 Ų91.436%0.36445%0.45SS..Hα-helixtrans-58.2-49.117600000112.5L1000 I1001 Y1007 F1008L1000-A1004 WeakPolarHBondContact O-CB 3.28Å; L1000-A1004 PolarHBondContact O-N 2.98Å; I1001-A1004 PolarHBondContact O-N 3.42Å; A1004-Y1007 WeakPolarHBondContact O-CB 3.41Å; A1004-Y1007 PolarHBondContact O-N 3.08Å; A1004-F1008 HydrophobicContact CB-CE2 4.37Å; A1004-F1008 WeakPolarHBondContact O-CD2 3.41Å; A1004-F1008 PolarHBondContact O-N 2.6Å
1005F35.6Very low34.4Very low64 Ų6493.5 Ų93.528%0.28147%0.468SS..Hα-helixtrans-64.3-42179.9-81.2-62.7000113.3I1001 G1003 Y1007 F1008 D1009 V1048I1001-F1005 HydrophobicContact CG2-CD2 3.62Å; I1001-F1005 HydrophobicContact CG2-CE2 3.61Å; I1001-F1005 VanDerWaalsContact O-CD2 3.27Å; I1001-F1005 WeakPolarHBondContact O-CD2 3.43Å; I1001-F1005 PolarHBondContact O-N 3.34Å; G1003-F1005 PolarHBondContact O-N 3.32Å; F1005-Y1007 VanDerWaalsContact C-N 3.27Å; F1005-Y1007 PolarHBondContact O-N 2.82Å; F1005-F1008 CarbonylContact O-C 3.56Å; F1005-F1008 WeakPolarHBondContact O-CA 3.33Å; F1005-F1008 PolarHBondContact O-N 2.85Å; F1005-D1009 PolarHBondContact O-N 2.94Å; F1005-V1048 HydrophobicContact CE1-CG1 4.4Å; F1005-V1048 HydrophobicContact CZ-CG1 4.15Å
1006R36Very low34.8Very low176 Ų17695 Ų9566%0.66448%0.482SS*.Hα-helixtrans-65.7-29.6175.2-73.5176.5179.5174.52.2113C1002 G1003 N1010C1002-R1006 WeakPolarHBondContact O-CB 3.35Å; C1002-R1006 VanDerWaalsContact O-CG 3.28Å; C1002-R1006 WeakPolarHBondContact O-CG 3.37Å; C1002-R1006 PolarHBondContact O-N 3.18Å; G1003-R1006 PolarHBondContact O-N 3.11Å; R1006-N1010 PolarHBondContact O-ND2 2.74Å
1007Y35Very low35.2Very low109 Ų10994.2 Ų94.243%0.42749%0.492SS..Hα-helixtrans-68.8-37.6171-171.7-94000111.3G1003 A1004 F1005 N1010 L1011G1003-Y1007 WeakPolarHBondContact O-CB 3.49Å; G1003-Y1007 PolarHBondContact O-N 3.27Å; A1004-Y1007 WeakPolarHBondContact O-CB 3.41Å; A1004-Y1007 PolarHBondContact O-N 3.08Å; F1005-Y1007 VanDerWaalsContact C-N 3.27Å; F1005-Y1007 PolarHBondContact O-N 2.82Å; Y1007-N1010 PolarHBondContact O-N 2.83Å; Y1007-L1011 HydrophobicContact CD1-CD1 3.76Å; Y1007-L1011 HydrophobicContact CE1-CD1 3.48Å; Y1007-L1011 VanDerWaalsContact CE1-CD1 3.48Å
1008F36.8Very low35.6Very low75 Ų75102.7 Ų102.733%0.32952%0.519SS..Hα-helixtrans-72.6-32.7175.1-70.2-58000114.5A1004 F1005 N1010 L1011 L1022A1004-F1008 HydrophobicContact CB-CE2 4.37Å; A1004-F1008 WeakPolarHBondContact O-CD2 3.41Å; A1004-F1008 PolarHBondContact O-N 2.6Å; F1005-F1008 CarbonylContact O-C 3.56Å; F1005-F1008 WeakPolarHBondContact O-CA 3.33Å; F1005-F1008 PolarHBondContact O-N 2.85Å; F1008-N1010 PolarHBondContact O-N 3.14Å; F1008-L1011 HydrophobicContact CD1-CD1 4.2Å; F1008-L1011 PolarHBondContact O-N 3.4Å; F1008-L1022 HydrophobicContact CE2-CD2 4.41Å; F1008-L1022 HydrophobicContact CZ-CD2 4.28Å
1009D35.7Very low35.8Very low111 Ų11199 Ų9959%0.59451%0.509SS*.THydrogen-bonded Turntrans-56.8-23.5174-73.7-33.8000112.8F1005F1005-D1009 PolarHBondContact O-N 2.94Å
1010N36.2Very low36.1Very low136 Ų13699.7 Ų99.773%0.72751%0.506SS*.THydrogen-bonded Turntrans-96.81.6178.6-68.5-83.2000113.7R1006 Y1007 F1008R1006-N1010 PolarHBondContact O-ND2 2.74Å; Y1007-N1010 PolarHBondContact O-N 2.83Å; F1008-N1010 PolarHBondContact O-N 3.14Å
1011L34.8Very low36.6Very low74 Ų7495.4 Ų95.439%0.38749%0.492SS..  trans-10859.5-175.6-86.2168.3000113.2Y1007 F1008 E1013Y1007-L1011 HydrophobicContact CD1-CD1 3.76Å; Y1007-L1011 HydrophobicContact CE1-CD1 3.48Å; Y1007-L1011 VanDerWaalsContact CE1-CD1 3.48Å; F1008-L1011 HydrophobicContact CD1-CD1 4.2Å; F1008-L1011 PolarHBondContact O-N 3.4Å; L1011-E1013 VanDerWaalsContact C-N 3.26Å; L1011-E1013 PolarHBondContact O-N 2.94Å
1012F30.7Very low36.9Very low192 Ų19297.8 Ų97.884%0.84251%0.505SS*.THydrogen-bonded Turntrans-66.681.1163.9-81.3-89.6000111.3
1013E36.6Very low37.2Very low196 Ų19697.1 Ų97.192%0.91650%0.5SS*.THydrogen-bonded Turntrans-176.4-7.2154-108.9168.4-150.300114.6L1011L1011-E1013 VanDerWaalsContact C-N 3.26Å; L1011-E1013 PolarHBondContact O-N 2.94Å
1014V36.7Very low37.7Very low78 Ų78100.3 Ų100.347%0.47351%0.508SS..SBendtrans-85.8134.9-175.7-173.40000112.3
1015P34.2Very low38.2Very low87 Ų87101.4 Ų101.457%0.56551%0.506SS*.  trans-63137.1179.6-24.734.7000114.1V1017 Y1018P1015-V1017 PolarHBondContact O-N 2.85Å; P1015-V1017 VanDerWaalsContact O-N 3.07Å; P1015-Y1018 PolarHBondContact O-N 2.61Å
1016P36.8Very low38.6Very low97 Ų97101.4 Ų101.463%0.6351%0.511SS*.Hα-helixtrans-65.7-18.9-169.724-34.6000115Y1018 V1019 M1020P1016-Y1018 VanDerWaalsContact C-N 3.32Å; P1016-Y1018 PolarHBondContact O-N 2.9Å; P1016-V1019 PolarHBondContact O-N 2.67Å; P1016-M1020 WeakPolarHBondContact O-CG 3.44Å; P1016-M1020 PolarHBondContact O-N 2.9Å
1017V39.2Very low39Very low117 Ų11794.3 Ų94.371%0.70949%0.486SS*.Hα-helixtrans-61.4-37.9-178.9-176.10000112.2P1015 G1021P1015-V1017 PolarHBondContact O-N 2.85Å; P1015-V1017 VanDerWaalsContact O-N 3.07Å; V1017-G1021 PolarHBondContact O-N 2.82Å
1018Y38.5Very low39.6Very low198 Ų19890 Ų9078%0.77647%0.472SS*.Hα-helixtrans-71.6-36177-104.3-88.1000112.3P1015 P1016 G1021 L1022P1015-Y1018 PolarHBondContact O-N 2.61Å; P1016-Y1018 VanDerWaalsContact C-N 3.32Å; P1016-Y1018 PolarHBondContact O-N 2.9Å; Y1018-G1021 PolarHBondContact O-N 2.82Å; Y1018-L1022 PolarHBondContact O-N 2.86Å; Y1018-L1022 VanDerWaalsContact O-N 3.16Å
1019V38.1Very low40Very low42 Ų4289.4 Ų89.426%0.25548%0.48SS..Hα-helixtrans-66-44.7176.4-174.90000110.2P1016 G1021 L1022 C1023P1016-V1019 PolarHBondContact O-N 2.67Å; V1019-G1021 VanDerWaalsContact C-N 3.34Å; V1019-G1021 PolarHBondContact O-N 3.15Å; V1019-L1022 PolarHBondContact O-N 2.79Å; V1019-C1023 WeakPolarHBondContact O-CB 3.41Å; V1019-C1023 PolarHBondContact O-N 3.26Å; V1019-C1023 PolarHBondContact O-SG 2.82Å
1020M40.1Very low40.1Very low80 Ų8086.3 Ų86.339%0.39446%0.464SS..Hα-helixtrans-55.2-46.4175.1-69-90.9-81.200112P1016 F1024 I1052 W1072P1016-M1020 WeakPolarHBondContact O-CG 3.44Å; P1016-M1020 PolarHBondContact O-N 2.9Å; M1020-F1024 VanDerWaalsContact O-CB 3.26Å; M1020-F1024 WeakPolarHBondContact O-CB 3.46Å; M1020-F1024 PolarHBondContact O-N 3.38Å; M1020-I1052 HydrophobicContact SD-CG2 3.52Å; M1020-I1052 VanDerWaalsContact SD-CG2 3.52Å; M1020-W1072 HydrophobicContact CE-CE3 3.66Å; M1020-W1072 HydrophobicContact CE-CZ3 3.78Å; M1020-W1072 HydrophobicContact SD-CE3 4.49Å; M1020-W1072 HydrophobicContact SD-CZ3 4.02Å
1021G44.3Very low40.5Very low36 Ų3680.2 Ų80.237%0.37143%0.431SS..Hα-helixtrans-64.3-42.2178.900000113.6V1017 Y1018 V1019 F1024 E1025V1017-G1021 PolarHBondContact O-N 2.82Å; Y1018-G1021 PolarHBondContact O-N 2.82Å; V1019-G1021 VanDerWaalsContact C-N 3.34Å; V1019-G1021 PolarHBondContact O-N 3.15Å; G1021-F1024 PolarHBondContact O-N 2.84Å; G1021-E1025 PolarHBondContact O-N 2.89Å
1022L42.2Very low41Very low89 Ų8982.6 Ų82.647%0.46644%0.444SS..Hα-helixtrans-68.6-42.5178.8-148.282.7000111.8F1008 Y1018 V1019 F1024 V1026F1008-L1022 HydrophobicContact CE2-CD2 4.41Å; F1008-L1022 HydrophobicContact CZ-CD2 4.28Å; Y1018-L1022 PolarHBondContact O-N 2.86Å; Y1018-L1022 VanDerWaalsContact O-N 3.16Å; V1019-L1022 PolarHBondContact O-N 2.79Å; L1022-F1024 VanDerWaalsContact C-N 3.32Å; L1022-F1024 PolarHBondContact O-N 2.82Å; L1022-V1026 WeakPolarHBondContact O-CG2 3.5Å; L1022-V1026 PolarHBondContact O-N 3.16Å; L1022-V1026 VanDerWaalsContact O-N 3.12Å
1023C42.4Very low41.3Very low18 Ų1879.2 Ų79.212%0.12244%0.439CS..Hα-helixtrans-62.3-39.3173.8-70.20000111.9V1019 L1027V1019-C1023 WeakPolarHBondContact O-CB 3.41Å; V1019-C1023 PolarHBondContact O-N 3.26Å; V1019-C1023 PolarHBondContact O-SG 2.82Å; C1023-L1027 VanDerWaalsContact O-CB 3.31Å; C1023-L1027 WeakPolarHBondContact O-CB 3.34Å; C1023-L1027 WeakPolarHBondContact O-CD1 3.44Å; C1023-L1027 VanDerWaalsContact O-CG 3.25Å; C1023-L1027 WeakPolarHBondContact O-CG 3.39Å; C1023-L1027 PolarHBondContact O-N 3.18Å
1024F46.9Very low41.4Very low87 Ų8772 Ų7238%0.38241%0.409SS..Hα-helixtrans-62.2-51.6176.5173.7-109.2000112.1M1020 G1021 L1022 V1026 L1027 C1028 W1066 I1069M1020-F1024 VanDerWaalsContact O-CB 3.26Å; M1020-F1024 WeakPolarHBondContact O-CB 3.46Å; M1020-F1024 PolarHBondContact O-N 3.38Å; G1021-F1024 PolarHBondContact O-N 2.84Å; L1022-F1024 VanDerWaalsContact C-N 3.32Å; L1022-F1024 PolarHBondContact O-N 2.82Å; F1024-V1026 VanDerWaalsContact C-N 3.34Å; F1024-V1026 PolarHBondContact O-N 3.39Å; F1024-L1027 PolarHBondContact O-N 3.2Å; F1024-C1028 VanDerWaalsContact CE2-SG 3.51Å; F1024-C1028 WeakPolarHBondContact O-CB 3.29Å; F1024-C1028 PolarHBondContact O-N 2.75Å; F1024-C1028 PolarHBondContact O-SG 3.22Å; F1024-W1066 HydrophobicContact CE2-CH2 4.5Å; F1024-W1066 HydrophobicContact CE2-CZ3 4.38Å; F1024-W1066 HydrophobicContact CZ-CZ3 4.49Å; F1024-I1069 HydrophobicContact CD2-CD1 4.12Å; F1024-I1069 HydrophobicContact CD2-CG2 4.34Å; F1024-I1069 HydrophobicContact CE2-CD1 4.21Å; F1024-I1069 HydrophobicContact CE2-CG2 3.87Å
1025E45.7Very low41.7Very low68 Ų6876.1 Ų76.132%0.31843%0.428SS..Hα-helixtrans-61.1-40.4178.4-73.6-162.8152.300112.5R704 G1021 A1029R704-E1025 IonicContact CZ-OE1 3.8Å; R704-E1025 IonicContact CZ-OE2 2.71Å; R704-E1025 IonicContact NH1-OE1 2.83Å; R704-E1025 PolarHBondContact NH1-OE1 3.47Å; R704-E1025 IonicContact NH1-OE2 3.78Å; R704-E1025 PolarHBondContact NH1-OE2 3.35Å; R704-E1025 IonicContact NH2-OE1 3.2Å; R704-E1025 PolarHBondContact NH2-OE1 2.7Å; R704-E1025 IonicContact NH2-OE2 3.46Å; G1021-E1025 PolarHBondContact O-N 2.89Å; E1025-A1029 VanDerWaalsContact O-CB 3.27Å; E1025-A1029 WeakPolarHBondContact O-CB 3.2Å; E1025-A1029 PolarHBondContact O-N 3.19Å
1026V43.1Very low42Very low63 Ų6375.9 Ų75.938%0.38243%0.425SS..Hα-helixtrans-68.2-42178.3173.10000111.7I1001 L1022 F1024 A1029 L1030I1001-V1026 HydrophobicContact CD1-CG1 4.23Å; I1001-V1026 HydrophobicContact CG1-CG1 4.39Å; L1022-V1026 WeakPolarHBondContact O-CG2 3.5Å; L1022-V1026 PolarHBondContact O-N 3.16Å; L1022-V1026 VanDerWaalsContact O-N 3.12Å; F1024-V1026 VanDerWaalsContact C-N 3.34Å; F1024-V1026 PolarHBondContact O-N 3.39Å; V1026-A1029 PolarHBondContact O-N 3.17Å; V1026-L1030 HydrophobicContact CG1-CD1 4.15Å; V1026-L1030 WeakPolarHBondContact O-CG 3.4Å; V1026-L1030 PolarHBondContact O-N 3.3Å
1027L45.7Very low42.4Very low28 Ų2872.7 Ų72.715%0.14740%0.401CS..Hα-helixtrans-66-40.5176.5-74.6167.8000111.9C1023 F1024 L1030 L1031 V1044 I1052C1023-L1027 VanDerWaalsContact O-CB 3.31Å; C1023-L1027 WeakPolarHBondContact O-CB 3.34Å; C1023-L1027 WeakPolarHBondContact O-CD1 3.44Å; C1023-L1027 VanDerWaalsContact O-CG 3.25Å; C1023-L1027 WeakPolarHBondContact O-CG 3.39Å; C1023-L1027 PolarHBondContact O-N 3.18Å; F1024-L1027 PolarHBondContact O-N 3.2Å; L1027-L1030 PolarHBondContact O-N 3.38Å; L1027-L1031 WeakPolarHBondContact O-CB 3.22Å; L1027-L1031 WeakPolarHBondContact O-CD1 3.25Å; L1027-L1031 VanDerWaalsContact O-CG 3.27Å; L1027-L1031 WeakPolarHBondContact O-CG 3.3Å; L1027-L1031 PolarHBondContact O-N 3.39Å; L1027-V1044 HydrophobicContact CD2-CG2 4.14Å; L1027-I1052 HydrophobicContact CD1-CD1 4.39Å
1028C48.1Very low42.6Very low19 Ų1973.1 Ų73.113%0.12840%0.395CS..Hα-helixtrans-64.2-43.7173.2-74.10000112.1F1024 L1030 L1031 D1032F1024-C1028 VanDerWaalsContact CE2-SG 3.51Å; F1024-C1028 WeakPolarHBondContact O-CB 3.29Å; F1024-C1028 PolarHBondContact O-N 2.75Å; F1024-C1028 PolarHBondContact O-SG 3.22Å; C1028-L1030 VanDerWaalsContact C-N 3.3Å; C1028-L1030 PolarHBondContact O-N 2.84Å; C1028-L1031 PolarHBondContact O-N 3.36Å; C1028-L1031 VanDerWaalsContact O-N 3.14Å; C1028-D1032 PolarHBondContact O-N 3.19Å
1029A43.7Very low42.8Very low61 Ų6165.9 Ų65.950%0.50437%0.37SS..Hα-helixtrans-64.5-31.5178.200000113.4E1025 V1026 V1033E1025-A1029 VanDerWaalsContact O-CB 3.27Å; E1025-A1029 WeakPolarHBondContact O-CB 3.2Å; E1025-A1029 PolarHBondContact O-N 3.19Å; V1026-A1029 PolarHBondContact O-N 3.17Å; A1029-V1033 WeakPolarHBondContact O-CG2 3.1Å
1030L38.5Very low43Very low47 Ų4764.6 Ų64.625%0.24636%0.362CS..Hα-helixtrans-69.3-45.4170.1-71.3164.6000111.2I1001 V1026 L1027 C1028 D1032 V1033 T1034I1001-L1030 HydrophobicContact CD1-CD1 4Å; V1026-L1030 HydrophobicContact CG1-CD1 4.15Å; V1026-L1030 WeakPolarHBondContact O-CG 3.4Å; V1026-L1030 PolarHBondContact O-N 3.3Å; L1027-L1030 PolarHBondContact O-N 3.38Å; C1028-L1030 VanDerWaalsContact C-N 3.3Å; C1028-L1030 PolarHBondContact O-N 2.84Å; L1030-D1032 VanDerWaalsContact C-N 3.32Å; L1030-D1032 PolarHBondContact O-N 3.07Å; L1030-V1033 PolarHBondContact O-N 2.94Å; L1030-T1034 PolarHBondContact O-N 3.21Å; L1030-T1034 PolarHBondContact O-OG1 2.97Å
1031L45.4Very low43.2Very low7 Ų761.3 Ų61.34%0.03735%0.349CS..Hα-helixtrans-71.5-18.2-176.6-76170.2000115.5L1027 C1028 F1037 V1040 F1065L1027-L1031 WeakPolarHBondContact O-CB 3.22Å; L1027-L1031 WeakPolarHBondContact O-CD1 3.25Å; L1027-L1031 VanDerWaalsContact O-CG 3.27Å; L1027-L1031 WeakPolarHBondContact O-CG 3.3Å; L1027-L1031 PolarHBondContact O-N 3.39Å; C1028-L1031 PolarHBondContact O-N 3.36Å; C1028-L1031 VanDerWaalsContact O-N 3.14Å; L1031-F1037 HydrophobicContact CD1-CE2 3.95Å; L1031-F1037 HydrophobicContact CD2-CD2 3.58Å; L1031-F1037 HydrophobicContact CD2-CE2 3.36Å; L1031-F1037 HydrophobicContact CD2-CZ 4.26Å; L1031-F1037 HydrophobicContact CG-CE2 4.31Å; L1031-V1040 HydrophobicContact CD2-CB 4.44Å; L1031-V1040 HydrophobicContact CD2-CG1 4.46Å; L1031-V1040 HydrophobicContact CD2-CG2 3.84Å; L1031-F1065 HydrophobicContact CD1-CD1 3.86Å; L1031-F1065 HydrophobicContact CD1-CE1 3.22Å; L1031-F1065 HydrophobicContact CD1-CZ 3.76Å
1032D44.4Very low43.1Very low125 Ų12567.5 Ų67.567%0.66836%0.361SS*.THydrogen-bonded Turntrans-88.9-2.3169.1-76.6-23000113C1028 L1030 R1062C1028-D1032 PolarHBondContact O-N 3.19Å; L1030-D1032 VanDerWaalsContact C-N 3.32Å; L1030-D1032 PolarHBondContact O-N 3.07Å; D1032-R1062 IonicContact OD1-NH2 2.81Å; D1032-R1062 PolarHBondContact OD1-NH2 2.73Å
1033V37.4Very low42.8Very low121 Ų12166 Ų6673%0.73335%0.353SS*.THydrogen-bonded Turntrans-109-24.8175.5174.30000112.5A1029 L1030A1029-V1033 WeakPolarHBondContact O-CG2 3.1Å; L1030-V1033 PolarHBondContact O-N 2.94Å
1034T39.2Very low42.9Very low45 Ų4566.3 Ų66.328%0.27635%0.354SS..  trans-109.1114.5178.759.80000112.5L1030 V1036L1030-T1034 PolarHBondContact O-N 3.21Å; L1030-T1034 PolarHBondContact O-OG1 2.97Å; T1034-V1036 PolarHBondContact O-N 3.25Å
1035D41.5Very low42.8Very low164 Ų16464.7 Ų64.788%0.87735%0.354SS*.SBendtrans-68.3-19.1175.8-76.2-48.2000113.8
1036V41.1Very low42.9Very low82 Ų8264.9 Ų64.950%0.49736%0.361SS..  trans-96.8111-177.5-174.90000110.9T1034 D1039T1034-V1036 PolarHBondContact O-N 3.25Å; V1036-D1039 WeakPolarHBondContact CG1-OD2 3.5Å
1037F44.9Very low43Very low30 Ų3068.1 Ų68.113%0.13238%0.375CS..Hα-helixtrans-78.8-30.7-175-161.1-87.1000114.1L1031 D1039 V1040 L1059 R1062 F1065L1031-F1037 HydrophobicContact CD1-CE2 3.95Å; L1031-F1037 HydrophobicContact CD2-CD2 3.58Å; L1031-F1037 HydrophobicContact CD2-CE2 3.36Å; L1031-F1037 HydrophobicContact CD2-CZ 4.26Å; L1031-F1037 HydrophobicContact CG-CE2 4.31Å; F1037-D1039 VanDerWaalsContact C-N 3.34Å; F1037-D1039 PolarHBondContact O-N 3.09Å; F1037-V1040 PolarHBondContact O-N 3.36Å; F1037-L1059 HydrophobicContact CE1-CD2 4.35Å; F1037-L1059 WeakPolarHBondContact CE1-O 3.41Å; F1037-R1062 HydrophobicContact CD2-CB 3.73Å; F1037-R1062 HydrophobicContact CD2-CG 4.08Å; F1037-R1062 HydrophobicContact CE2-CB 4.11Å; F1037-R1062 HydrophobicContact CE2-CG 4.25Å; F1037-R1062 HydrophobicContact CG-CB 4.17Å; F1037-F1065 HydrophobicContact CE1-CB 3.95Å; F1037-F1065 HydrophobicContact CE2-CB 4.22Å; F1037-F1065 HydrophobicContact CE2-CD1 4.1Å; F1037-F1065 HydrophobicContact CE2-CG 4.32Å; F1037-F1065 HydrophobicContact CZ-CB 3.34Å; F1037-F1065 AromaticContact CZ-CD1 3.81Å; F1037-F1065 HydrophobicContact CZ-CD1 3.81Å; F1037-F1065 HydrophobicContact CZ-CD2 4.3Å; F1037-F1065 AromaticContact CZ-CG 3.58Å; F1037-F1065 HydrophobicContact CZ-CG 3.58Å
1038E42.7Very low43Very low125 Ų12568.4 Ų68.458%0.58438%0.378SS*.Hα-helixtrans-62.3-37.9-174.7-66.9-157.4150.100113.5V1040 G1041 R1042E1038-V1040 VanDerWaalsContact C-N 3.31Å; E1038-V1040 PolarHBondContact O-N 3.32Å; E1038-G1041 PolarHBondContact O-N 3.1Å; E1038-G1041 VanDerWaalsContact O-N 3.14Å; E1038-R1042 PolarHBondContact O-N 3.1Å; E1038-R1042 IonicContact OE2-CZ 3.54Å; E1038-R1042 IonicContact OE2-NH1 3.38Å; E1038-R1042 IonicContact OE2-NH2 3.99Å; E1038-R1042 PolarHBondContact OE2-NH2 3.46Å
1039D44.2Very low43Very low46 Ų4667.8 Ų67.825%0.24637%0.373CS..Hα-helixtrans-69.1-30.5-173.6-68.3-41.1000112.1V1036 F1037 G1041 R1042 I1043V1036-D1039 WeakPolarHBondContact CG1-OD2 3.5Å; F1037-D1039 VanDerWaalsContact C-N 3.34Å; F1037-D1039 PolarHBondContact O-N 3.09Å; D1039-G1041 PolarHBondContact O-N 2.92Å; D1039-R1042 CarbonylContact O-C 3.54Å; D1039-R1042 WeakPolarHBondContact O-CA 3.42Å; D1039-R1042 WeakPolarHBondContact O-CB 3.38Å; D1039-R1042 PolarHBondContact O-N 3.17Å; D1039-R1042 IonicContact OD1-CZ 2.9Å; D1039-R1042 IonicContact OD1-NH1 3Å; D1039-R1042 PolarHBondContact OD1-NH1 2.86Å; D1039-I1043 HydrophobicContact CB-CD1 4.17Å; D1039-I1043 VanDerWaalsContact O-CB 3.32Å; D1039-I1043 WeakPolarHBondContact O-CB 3.41Å; D1039-I1043 WeakPolarHBondContact O-CD1 3.26Å; D1039-I1043 VanDerWaalsContact O-CG1 3.32Å; D1039-I1043 WeakPolarHBondContact O-CG1 3.14Å; D1039-I1043 PolarHBondContact O-N 3.36Å
1040V41.8Very low43.3Very low15 Ų1571.7 Ų71.79%0.09138%0.381CS..Hα-helixtrans-58.9-35.9174.2-177.60000111.2L1031 F1037 E1038 R1042 I1043 V1044L1031-V1040 HydrophobicContact CD2-CB 4.44Å; L1031-V1040 HydrophobicContact CD2-CG1 4.46Å; L1031-V1040 HydrophobicContact CD2-CG2 3.84Å; F1037-V1040 PolarHBondContact O-N 3.36Å; E1038-V1040 VanDerWaalsContact C-N 3.31Å; E1038-V1040 PolarHBondContact O-N 3.32Å; V1040-R1042 VanDerWaalsContact C-N 3.32Å; V1040-R1042 PolarHBondContact O-N 2.87Å; V1040-I1043 PolarHBondContact O-N 2.95Å; V1040-V1044 HydrophobicContact CG1-CG2 4.17Å; V1040-V1044 WeakPolarHBondContact O-CG2 3.33Å; V1040-V1044 PolarHBondContact O-N 2.98Å; V1040-V1044 VanDerWaalsContact O-N 3.08Å
1041G43.5Very low43.6Very low12 Ų1278.4 Ų78.412%0.12441%0.409CS..Hα-helixtrans-73.5-17.4174.500000115.1E1038 D1039 Q1056E1038-G1041 PolarHBondContact O-N 3.1Å; E1038-G1041 VanDerWaalsContact O-N 3.14Å; D1039-G1041 PolarHBondContact O-N 2.92Å; G1041-Q1056 PolarHBondContact O-NE2 3.49Å
1042R42.3Very low43.5Very low166 Ų16679.7 Ų79.763%0.62642%0.415SS*.Hα-helixtrans-89.1-28.4171.5-60.2176.3179.5130.87.9112.1E1038 D1039 V1040E1038-R1042 PolarHBondContact O-N 3.1Å; E1038-R1042 IonicContact OE2-CZ 3.54Å; E1038-R1042 IonicContact OE2-NH1 3.38Å; E1038-R1042 IonicContact OE2-NH2 3.99Å; E1038-R1042 PolarHBondContact OE2-NH2 3.46Å; D1039-R1042 CarbonylContact O-C 3.54Å; D1039-R1042 WeakPolarHBondContact O-CA 3.42Å; D1039-R1042 WeakPolarHBondContact O-CB 3.38Å; D1039-R1042 PolarHBondContact O-N 3.17Å; D1039-R1042 IonicContact OD1-CZ 2.9Å; D1039-R1042 IonicContact OD1-NH1 3Å; D1039-R1042 PolarHBondContact OD1-NH1 2.86Å; V1040-R1042 VanDerWaalsContact C-N 3.32Å; V1040-R1042 PolarHBondContact O-N 2.87Å
1043I37.1Very low43.6Very low58 Ų5876.2 Ų76.230%0.29741%0.41SS..Hα-helixtrans-82.6-46.2-175-82.5157.9000113F994 D1039 V1040 S1045F994-I1043 HydrophobicContact CD1-CD1 4.14Å; F994-I1043 HydrophobicContact CD1-CG1 4.32Å; F994-I1043 HydrophobicContact CD1-CG2 4.21Å; F994-I1043 HydrophobicContact CD2-CD1 3.69Å; F994-I1043 HydrophobicContact CE1-CB 4.35Å; F994-I1043 HydrophobicContact CE1-CD1 3.96Å; F994-I1043 HydrophobicContact CE1-CG1 4.14Å; F994-I1043 HydrophobicContact CE1-CG2 3.31Å; F994-I1043 HydrophobicContact CE2-CD1 3.5Å; F994-I1043 VanDerWaalsContact CE2-CD1 3.5Å; F994-I1043 HydrophobicContact CE2-CG2 4.45Å; F994-I1043 HydrophobicContact CG-CD1 4.04Å; F994-I1043 HydrophobicContact CZ-CB 4.43Å; F994-I1043 HydrophobicContact CZ-CD1 3.67Å; F994-I1043 HydrophobicContact CZ-CG1 4.28Å; F994-I1043 HydrophobicContact CZ-CG2 3.5Å; F994-I1043 VanDerWaalsContact CZ-CG2 3.5Å; D1039-I1043 HydrophobicContact CB-CD1 4.17Å; D1039-I1043 VanDerWaalsContact O-CB 3.32Å; D1039-I1043 WeakPolarHBondContact O-CB 3.41Å; D1039-I1043 WeakPolarHBondContact O-CD1 3.26Å; D1039-I1043 VanDerWaalsContact O-CG1 3.32Å; D1039-I1043 WeakPolarHBondContact O-CG1 3.14Å; D1039-I1043 PolarHBondContact O-N 3.36Å; V1040-I1043 PolarHBondContact O-N 2.95Å; I1043-S1045 PolarHBondContact O-N 2.92Å
1044V43.9Very low44.2Very low23 Ų2370.9 Ų70.914%0.13938%0.377CS..SBendtrans-76.9119.9-176.3-174.50000108.5L1027 V1040 V1048 L1049L1027-V1044 HydrophobicContact CD2-CG2 4.14Å; V1040-V1044 HydrophobicContact CG1-CG2 4.17Å; V1040-V1044 WeakPolarHBondContact O-CG2 3.33Å; V1040-V1044 PolarHBondContact O-N 2.98Å; V1040-V1044 VanDerWaalsContact O-N 3.08Å; V1044-V1048 HydrophobicContact CG1-CB 4.01Å; V1044-V1048 HydrophobicContact CG1-CG1 3.75Å; V1044-L1049 HydrophobicContact CB-CD1 4.5Å; V1044-L1049 HydrophobicContact CB-CD2 4.06Å; V1044-L1049 HydrophobicContact CB-CG 4.16Å; V1044-L1049 HydrophobicContact CG1-CD2 3.68Å; V1044-L1049 HydrophobicContact CG1-CG 3.79Å
1045S45.6Very low44.8Very low54 Ų5477.4 Ų77.438%0.37840%0.396SS..  trans-49.6136-178.1174.80000111.7I1043 L1047 V1048 L1049I1043-S1045 PolarHBondContact O-N 2.92Å; S1045-L1047 PolarHBondContact O-N 2.81Å; S1045-L1047 VanDerWaalsContact O-N 3.15Å; S1045-L1047 PolarHBondContact OG-N 3.27Å; S1045-V1048 WeakPolarHBondContact O-CA 3.17Å; S1045-V1048 WeakPolarHBondContact O-CB 3.33Å; S1045-V1048 PolarHBondContact O-N 3.08Å; S1045-L1049 PolarHBondContact O-N 3.27Å
1046P47.1Very low45.3Very low72 Ų7273.8 Ų73.847%0.46837%0.374SS..Hα-helixtrans-55.4-34.1176.8-2432.6000112.6L1049 Q1050P1046-L1049 PolarHBondContact O-N 3.46Å; P1046-Q1050 WeakPolarHBondContact O-CB 3.49Å; P1046-Q1050 PolarHBondContact O-N 2.84Å
1047L45.2Very low45.9Very low130 Ų13074.2 Ų74.268%0.68137%0.374SS*.Hα-helixtrans-63.7-42.9173.3-89.2159.3000112.4S1045 Q1050 F1051S1045-L1047 PolarHBondContact O-N 2.81Å; S1045-L1047 VanDerWaalsContact O-N 3.15Å; S1045-L1047 PolarHBondContact OG-N 3.27Å; L1047-Q1050 PolarHBondContact O-N 2.81Å; L1047-F1051 VanDerWaalsContact O-CB 3.3Å; L1047-F1051 WeakPolarHBondContact O-CB 3.31Å; L1047-F1051 PolarHBondContact O-N 3.33Å
1048V45.4Very low46.2Very low34 Ų3480.1 Ų80.121%0.20640%0.395CS..Hα-helixtrans-63.4-51176.11710000109.5F1005 V1044 S1045 Q1050 F1051 I1052F1005-V1048 HydrophobicContact CE1-CG1 4.4Å; F1005-V1048 HydrophobicContact CZ-CG1 4.15Å; V1044-V1048 HydrophobicContact CG1-CB 4.01Å; V1044-V1048 HydrophobicContact CG1-CG1 3.75Å; S1045-V1048 WeakPolarHBondContact O-CA 3.17Å; S1045-V1048 WeakPolarHBondContact O-CB 3.33Å; S1045-V1048 PolarHBondContact O-N 3.08Å; V1048-Q1050 VanDerWaalsContact C-N 3.32Å; V1048-Q1050 PolarHBondContact O-N 2.81Å; V1048-F1051 WeakPolarHBondContact O-CB 3.25Å; V1048-F1051 PolarHBondContact O-N 2.8Å; V1048-F1051 VanDerWaalsContact O-N 3.08Å; V1048-I1052 HydrophobicContact CG1-CD1 4.29Å; V1048-I1052 HydrophobicContact CG1-CG1 4.44Å; V1048-I1052 WeakPolarHBondContact O-CG1 3.04Å; V1048-I1052 PolarHBondContact O-N 2.97Å
1049L48.3Very low46.6Very low6 Ų675 Ų753%0.03137%0.371CS..Hα-helixtrans-55.2-46.6177.3-66.3175000111.9V1044 S1045 P1046 F1051 I1052 G1053 I1054 Q1056 L1059V1044-L1049 HydrophobicContact CB-CD1 4.5Å; V1044-L1049 HydrophobicContact CB-CD2 4.06Å; V1044-L1049 HydrophobicContact CB-CG 4.16Å; V1044-L1049 HydrophobicContact CG1-CD2 3.68Å; V1044-L1049 HydrophobicContact CG1-CG 3.79Å; S1045-L1049 PolarHBondContact O-N 3.27Å; P1046-L1049 PolarHBondContact O-N 3.46Å; L1049-F1051 VanDerWaalsContact C-N 3.34Å; L1049-F1051 PolarHBondContact O-N 3.44Å; L1049-I1052 PolarHBondContact O-N 2.96Å; L1049-G1053 PolarHBondContact O-N 2.94Å; L1049-I1054 CarbonylContact C-O 3.54Å; L1049-I1054 HydrophobicContact CB-CB 4.45Å; L1049-I1054 WeakPolarHBondContact CB-O 3.31Å; L1049-I1054 HydrophobicContact CD2-CB 4.42Å; L1049-I1054 HydrophobicContact CD2-CG2 4.44Å; L1049-I1054 PolarHBondContact O-N 3.47Å; L1049-I1054 VanDerWaalsContact O-O 3.1Å; L1049-Q1056 HydrophobicContact CD1-CB 4.09Å; L1049-Q1056 HydrophobicContact CD1-CG 3.83Å; L1049-L1059 HydrophobicContact CD1-CD1 3.56Å; L1049-L1059 HydrophobicContact CD2-CD1 3.91Å; L1049-L1059 HydrophobicContact CG-CD1 4.41Å
1050Q50.7Low46.6Very low143 Ų14380.1 Ų80.167%0.66840%0.398SS*.Hα-helixtrans-62.1-38.4176.6-177.11772.300112.5P1046 L1047 V1048 G1053P1046-Q1050 WeakPolarHBondContact O-CB 3.49Å; P1046-Q1050 PolarHBondContact O-N 2.84Å; L1047-Q1050 PolarHBondContact O-N 2.81Å; V1048-Q1050 VanDerWaalsContact C-N 3.32Å; V1048-Q1050 PolarHBondContact O-N 2.81Å; Q1050-G1053 PolarHBondContact O-N 3.4Å; Q1050-G1053 VanDerWaalsContact O-N 3.08Å
1051F42.9Very low47.3Very low188 Ų18881.7 Ų81.783%0.82541%0.41SS*.Hα-helixtrans-67.7-33.8177.8-158.3-84.1000112.4L1047 V1048 L1049 G1053L1047-F1051 VanDerWaalsContact O-CB 3.3Å; L1047-F1051 WeakPolarHBondContact O-CB 3.31Å; L1047-F1051 PolarHBondContact O-N 3.33Å; V1048-F1051 WeakPolarHBondContact O-CB 3.25Å; V1048-F1051 PolarHBondContact O-N 2.8Å; V1048-F1051 VanDerWaalsContact O-N 3.08Å; L1049-F1051 VanDerWaalsContact C-N 3.34Å; L1049-F1051 PolarHBondContact O-N 3.44Å; F1051-G1053 VanDerWaalsContact C-N 3.32Å
1052I44.8Very low47.6Very low34 Ų3486.7 Ų86.717%0.17443%0.425CS..Hα-helixtrans-77.6-18.5170.5-12.2-173000112.3M1020 L1027 V1048 L1049 W1072M1020-I1052 HydrophobicContact SD-CG2 3.52Å; M1020-I1052 VanDerWaalsContact SD-CG2 3.52Å; L1027-I1052 HydrophobicContact CD1-CD1 4.39Å; V1048-I1052 HydrophobicContact CG1-CD1 4.29Å; V1048-I1052 HydrophobicContact CG1-CG1 4.44Å; V1048-I1052 WeakPolarHBondContact O-CG1 3.04Å; V1048-I1052 PolarHBondContact O-N 2.97Å; L1049-I1052 PolarHBondContact O-N 2.96Å; I1052-W1072 HydrophobicContact CB-CH2 3.79Å; I1052-W1072 HydrophobicContact CB-CZ3 4.39Å; I1052-W1072 HydrophobicContact CG2-CH2 3.51Å; I1052-W1072 HydrophobicContact CG2-CZ3 3.61Å; I1052-W1072 WeakPolarHBondContact O-CH2 3.41Å; I1052-W1072 VanDerWaalsContact O-CZ2 3.24Å; I1052-W1072 WeakPolarHBondContact O-CZ2 3.13Å
1053G47Very low48.1Very low53 Ų5387.6 Ų87.655%0.54643%0.433SS..THydrogen-bonded Turntrans96.112.5-177.700000115.1L1049 Q1050 F1051L1049-G1053 PolarHBondContact O-N 2.94Å; Q1050-G1053 PolarHBondContact O-N 3.4Å; Q1050-G1053 VanDerWaalsContact O-N 3.08Å; F1051-G1053 VanDerWaalsContact C-N 3.32Å
1054I49.8Very low49.1Very low8 Ų886.4 Ų86.44%0.04143%0.43CS..  trans-90.8122.4174-57.5179.7000108.7L1049 L1059 F1065 T1068 W1072L1049-I1054 CarbonylContact C-O 3.54Å; L1049-I1054 HydrophobicContact CB-CB 4.45Å; L1049-I1054 WeakPolarHBondContact CB-O 3.31Å; L1049-I1054 HydrophobicContact CD2-CB 4.42Å; L1049-I1054 HydrophobicContact CD2-CG2 4.44Å; L1049-I1054 PolarHBondContact O-N 3.47Å; L1049-I1054 VanDerWaalsContact O-O 3.1Å; I1054-L1059 HydrophobicContact CG2-CG 4.36Å; I1054-F1065 HydrophobicContact CD1-CE2 4.3Å; I1054-T1068 HydrophobicContact CG1-CG2 4.41Å; I1054-W1072 HydrophobicContact CD1-CH2 3.88Å; I1054-W1072 HydrophobicContact CD1-CZ2 4.18Å; I1054-W1072 HydrophobicContact CG1-CH2 3.54Å; I1054-W1072 HydrophobicContact CG1-CZ2 3.44Å; I1054-W1072 VanDerWaalsContact CG1-CZ2 3.44Å
1055R50.7Low49.7Very low182 Ų18285.6 Ų85.669%0.68743%0.425SS*.  trans-77.2136.9163.9-70.1-173.5174.5-171.9-1.5109.8D1057 R1058R1055-D1057 WeakPolarHBondContact CB-OD1 3.47Å; R1055-D1057 PolarHBondContact O-N 2.92Å; R1055-R1058 PolarHBondContact O-N 3.17Å
1056Q51.2Low50.1Low88 Ų8887.6 Ų87.641%0.41142%0.424SS..G310 helixtrans-62-26.3-176.5-161.517115.600112.8G1041 L1049 R1058 L1059G1041-Q1056 PolarHBondContact O-NE2 3.49Å; L1049-Q1056 HydrophobicContact CD1-CB 4.09Å; L1049-Q1056 HydrophobicContact CD1-CG 3.83Å; Q1056-R1058 PolarHBondContact O-N 3.4Å; Q1056-L1059 PolarHBondContact O-N 2.75Å
1057D54.7Low50.6Low92 Ų9287 Ų8749%0.49243%0.425SS..G310 helixtrans-63.9-13.317367-5.3000114.6R1055 L1060R1055-D1057 WeakPolarHBondContact CB-OD1 3.47Å; R1055-D1057 PolarHBondContact O-N 2.92Å; D1057-L1060 WeakPolarHBondContact O-CD1 3.26Å; D1057-L1060 WeakPolarHBondContact O-CG 3.37Å
1058R50.7Low51.1Low153 Ų15381.6 Ų81.658%0.57740%0.398SS*.G310 helixtrans-95.1-3177.7-66-163.7170.7-152.6-4.3114.8R1055 Q1056 L1060 S1064R1055-R1058 PolarHBondContact O-N 3.17Å; Q1056-R1058 PolarHBondContact O-N 3.4Å; R1058-L1060 PolarHBondContact O-N 3.2Å; R1058-S1064 VanDerWaalsContact O-CB 3.32Å; R1058-S1064 WeakPolarHBondContact O-CB 3.36Å; R1058-S1064 PolarHBondContact O-OG 2.91Å
1059L51Low51.2Low17 Ų1780.8 Ų80.89%0.08939%0.392CS..  trans-82.714.1179-71.6169.5000114.4F1037 L1049 I1054 Q1056 S1061 F1065F1037-L1059 HydrophobicContact CE1-CD2 4.35Å; F1037-L1059 WeakPolarHBondContact CE1-O 3.41Å; L1049-L1059 HydrophobicContact CD1-CD1 3.56Å; L1049-L1059 HydrophobicContact CD2-CD1 3.91Å; L1049-L1059 HydrophobicContact CG-CD1 4.41Å; I1054-L1059 HydrophobicContact CG2-CG 4.36Å; Q1056-L1059 PolarHBondContact O-N 2.75Å; L1059-S1061 PolarHBondContact O-N 2.88Å; L1059-F1065 HydrophobicContact CD2-CB 4.25Å; L1059-F1065 HydrophobicContact CD2-CD2 3.46Å; L1059-F1065 VanDerWaalsContact CD2-CD2 3.46Å; L1059-F1065 HydrophobicContact CD2-CE2 4.14Å; L1059-F1065 HydrophobicContact CD2-CG 4.22Å
1060L45.7Very low51.3Low154 Ų15484.2 Ų84.281%0.80641%0.413SS*.SBendtrans-60.4-14.3-175.6-65.4168.6000115.9D1057 R1058D1057-L1060 WeakPolarHBondContact O-CD1 3.26Å; D1057-L1060 WeakPolarHBondContact O-CG 3.37Å; R1058-L1060 PolarHBondContact O-N 3.2Å
1061S55.5Low51.2Low49 Ų4981.2 Ų81.234%0.34341%0.408SS..SBendtrans-163.4162172.764.60000113.1L1059 K1063 S1064 F1065L1059-S1061 PolarHBondContact O-N 2.88Å; S1061-K1063 PolarHBondContact O-N 3.24Å; S1061-K1063 VanDerWaalsContact O-N 3.15Å; S1061-K1063 PolarHBondContact OG-N 3.03Å; S1061-S1064 PolarHBondContact N-OG 3.16Å; S1061-S1064 PolarHBondContact O-N 3.11Å; S1061-S1064 PolarHBondContact O-OG 3.02Å; S1061-S1064 VanDerWaalsContact O-OG 3.08Å; S1061-S1064 PolarHBondContact OG-N 3.26Å; S1061-S1064 PolarHBondContact OG-OG 2.8Å; S1061-F1065 PolarHBondContact O-N 3.1Å
1062R49.6Very low51.2Low117 Ų11776.7 Ų76.744%0.44239%0.386SS..Hα-helixtrans-51-36.8167.4-167.8171.3-176.3147.48.1111.5D1032 F1037 W1066D1032-R1062 IonicContact OD1-NH2 2.81Å; D1032-R1062 PolarHBondContact OD1-NH2 2.73Å; F1037-R1062 HydrophobicContact CD2-CB 3.73Å; F1037-R1062 HydrophobicContact CD2-CG 4.08Å; F1037-R1062 HydrophobicContact CE2-CB 4.11Å; F1037-R1062 HydrophobicContact CE2-CG 4.25Å; F1037-R1062 HydrophobicContact CG-CB 4.17Å; R1062-W1066 PolarHBondContact O-N 3.12Å
1063K54.2Low50.9Low184 Ų18480.6 Ų80.680%0.841%0.406SS*.Hα-helixtrans-67-45.1175.5-90.3-178.1174.3175.50113.3S1061 A1067S1061-K1063 PolarHBondContact O-N 3.24Å; S1061-K1063 VanDerWaalsContact O-N 3.15Å; S1061-K1063 PolarHBondContact OG-N 3.03Å; K1063-A1067 VanDerWaalsContact O-CB 3.28Å; K1063-A1067 WeakPolarHBondContact O-CB 3.26Å; K1063-A1067 PolarHBondContact O-N 2.88Å
1064S57.2Low50.4Low33 Ų3383.5 Ų83.523%0.23142%0.416CS..Hα-helixtrans-72.4-32.6-176.862.90000112.6R1058 S1061 T1068R1058-S1064 VanDerWaalsContact O-CB 3.32Å; R1058-S1064 WeakPolarHBondContact O-CB 3.36Å; R1058-S1064 PolarHBondContact O-OG 2.91Å; S1061-S1064 PolarHBondContact N-OG 3.16Å; S1061-S1064 PolarHBondContact O-N 3.11Å; S1061-S1064 PolarHBondContact O-OG 3.02Å; S1061-S1064 VanDerWaalsContact O-OG 3.08Å; S1061-S1064 PolarHBondContact OG-N 3.26Å; S1061-S1064 PolarHBondContact OG-OG 2.8Å; S1064-T1068 WeakPolarHBondContact O-CB 3.46Å; S1064-T1068 PolarHBondContact O-N 2.99Å; S1064-T1068 PolarHBondContact O-OG1 2.86Å
1065F55.4Low49.5Very low7 Ų789.4 Ų89.43%0.03145%0.452CS..Hα-helixtrans-65.6-52.3171.1176.7-107.8000112.3L1031 F1037 I1054 L1059 S1061 A1067 T1068 I1069L1031-F1065 HydrophobicContact CD1-CD1 3.86Å; L1031-F1065 HydrophobicContact CD1-CE1 3.22Å; L1031-F1065 HydrophobicContact CD1-CZ 3.76Å; F1037-F1065 HydrophobicContact CE1-CB 3.95Å; F1037-F1065 HydrophobicContact CE2-CB 4.22Å; F1037-F1065 HydrophobicContact CE2-CD1 4.1Å; F1037-F1065 HydrophobicContact CE2-CG 4.32Å; F1037-F1065 HydrophobicContact CZ-CB 3.34Å; F1037-F1065 AromaticContact CZ-CD1 3.81Å; F1037-F1065 HydrophobicContact CZ-CD1 3.81Å; F1037-F1065 HydrophobicContact CZ-CD2 4.3Å; F1037-F1065 AromaticContact CZ-CG 3.58Å; F1037-F1065 HydrophobicContact CZ-CG 3.58Å; I1054-F1065 HydrophobicContact CD1-CE2 4.3Å; L1059-F1065 HydrophobicContact CD2-CB 4.25Å; L1059-F1065 HydrophobicContact CD2-CD2 3.46Å; L1059-F1065 VanDerWaalsContact CD2-CD2 3.46Å; L1059-F1065 HydrophobicContact CD2-CE2 4.14Å; L1059-F1065 HydrophobicContact CD2-CG 4.22Å; S1061-F1065 PolarHBondContact O-N 3.1Å; F1065-A1067 VanDerWaalsContact C-N 3.28Å; F1065-A1067 PolarHBondContact O-N 3.43Å; F1065-T1068 WeakPolarHBondContact O-CB 3.46Å; F1065-T1068 PolarHBondContact O-N 3.33Å; F1065-I1069 HydrophobicContact CD1-CD1 4.15Å; F1065-I1069 HydrophobicContact CD2-CD1 4.36Å; F1065-I1069 HydrophobicContact CE1-CD1 3.49Å; F1065-I1069 VanDerWaalsContact CE1-CD1 3.49Å; F1065-I1069 HydrophobicContact CE2-CD1 3.76Å; F1065-I1069 HydrophobicContact CE2-CG1 4.39Å; F1065-I1069 HydrophobicContact CZ-CD1 3.3Å; F1065-I1069 HydrophobicContact CZ-CG1 4.37Å; F1065-I1069 PolarHBondContact O-N 3.34Å
1066W54.9Low48.4Very low96 Ų9683.1 Ų83.136%0.36444%0.444SS..Hα-helixtrans-61.8-35.1176.8-82.8106.1000112.2F1024 R1062 T1070F1024-W1066 HydrophobicContact CE2-CH2 4.5Å; F1024-W1066 HydrophobicContact CE2-CZ3 4.38Å; F1024-W1066 HydrophobicContact CZ-CZ3 4.49Å; R1062-W1066 PolarHBondContact O-N 3.12Å; W1066-T1070 VanDerWaalsContact O-CB 3.26Å; W1066-T1070 WeakPolarHBondContact O-CB 3.34Å; W1066-T1070 PolarHBondContact O-N 2.97Å; W1066-T1070 PolarHBondContact O-OG1 3.4Å
1067A58Low47.3Very low59 Ų5991.5 Ų91.549%0.48847%0.472SS..Hα-helixtrans-64.9-39.9171.200000112.7K1063 F1065 T1070 S1071K1063-A1067 VanDerWaalsContact O-CB 3.28Å; K1063-A1067 WeakPolarHBondContact O-CB 3.26Å; K1063-A1067 PolarHBondContact O-N 2.88Å; F1065-A1067 VanDerWaalsContact C-N 3.28Å; F1065-A1067 PolarHBondContact O-N 3.43Å; A1067-T1070 PolarHBondContact O-N 3.13Å; A1067-S1071 PolarHBondContact O-N 2.95Å
1068T54.8Low46Very low16 Ų1693.8 Ų93.810%0.09848%0.484CS..Hα-helixtrans-65.8-46.4177.3-58.80000111.1I1054 S1064 F1065 T1070 S1071I1054-T1068 HydrophobicContact CG1-CG2 4.41Å; S1064-T1068 WeakPolarHBondContact O-CB 3.46Å; S1064-T1068 PolarHBondContact O-N 2.99Å; S1064-T1068 PolarHBondContact O-OG1 2.86Å; F1065-T1068 WeakPolarHBondContact O-CB 3.46Å; F1065-T1068 PolarHBondContact O-N 3.33Å; T1068-T1070 PolarHBondContact O-N 3.44Å; T1068-S1071 WeakPolarHBondContact O-CB 3.46Å; T1068-S1071 PolarHBondContact O-N 3.27Å; T1068-S1071 PolarHBondContact O-OG 3.13Å
1069I48Very low44.8Very low17 Ų1790.3 Ų90.39%0.08750%0.495CS..Hα-helixtrans-62.8-42.3173.8-76-178.6000111.7F1024 F1065 S1071 W1072F1024-I1069 HydrophobicContact CD2-CD1 4.12Å; F1024-I1069 HydrophobicContact CD2-CG2 4.34Å; F1024-I1069 HydrophobicContact CE2-CD1 4.21Å; F1024-I1069 HydrophobicContact CE2-CG2 3.87Å; F1065-I1069 HydrophobicContact CD1-CD1 4.15Å; F1065-I1069 HydrophobicContact CD2-CD1 4.36Å; F1065-I1069 HydrophobicContact CE1-CD1 3.49Å; F1065-I1069 VanDerWaalsContact CE1-CD1 3.49Å; F1065-I1069 HydrophobicContact CE2-CD1 3.76Å; F1065-I1069 HydrophobicContact CE2-CG1 4.39Å; F1065-I1069 HydrophobicContact CZ-CD1 3.3Å; F1065-I1069 HydrophobicContact CZ-CG1 4.37Å; F1065-I1069 PolarHBondContact O-N 3.34Å; I1069-S1071 PolarHBondContact O-N 3.28Å; I1069-W1072 WeakPolarHBondContact O-CB 3.37Å; I1069-W1072 PolarHBondContact O-N 2.86Å
1070T50.4Low43.6Very low78 Ų7899.5 Ų99.548%0.47953%0.534SS..Hα-helixtrans-63.3-30.6177.5-54.40000111.5W1066 A1067 T1068 W1072 L1073W1066-T1070 VanDerWaalsContact O-CB 3.26Å; W1066-T1070 WeakPolarHBondContact O-CB 3.34Å; W1066-T1070 PolarHBondContact O-N 2.97Å; W1066-T1070 PolarHBondContact O-OG1 3.4Å; A1067-T1070 PolarHBondContact O-N 3.13Å; T1068-T1070 PolarHBondContact O-N 3.44Å; T1070-W1072 PolarHBondContact O-N 3.02Å; T1070-L1073 PolarHBondContact O-N 2.85Å
1071S49.5Very low42.6Very low80 Ų8095.8 Ų95.856%0.55952%0.521SS*.THydrogen-bonded Turntrans-70-12.4174.179.70000114.5A1067 T1068 I1069A1067-S1071 PolarHBondContact O-N 2.95Å; T1068-S1071 WeakPolarHBondContact O-CB 3.46Å; T1068-S1071 PolarHBondContact O-N 3.27Å; T1068-S1071 PolarHBondContact O-OG 3.13Å; I1069-S1071 PolarHBondContact O-N 3.28Å
1072W41.9Very low41.3Very low94 Ų9499.4 Ų99.436%0.35654%0.541SS..THydrogen-bonded Turntrans-92.7-18.5175.5-65.31.9000113.7M1020 I1052 I1054 I1069 T1070 P1074M1020-W1072 HydrophobicContact CE-CE3 3.66Å; M1020-W1072 HydrophobicContact CE-CZ3 3.78Å; M1020-W1072 HydrophobicContact SD-CE3 4.49Å; M1020-W1072 HydrophobicContact SD-CZ3 4.02Å; I1052-W1072 HydrophobicContact CB-CH2 3.79Å; I1052-W1072 HydrophobicContact CB-CZ3 4.39Å; I1052-W1072 HydrophobicContact CG2-CH2 3.51Å; I1052-W1072 HydrophobicContact CG2-CZ3 3.61Å; I1052-W1072 WeakPolarHBondContact O-CH2 3.41Å; I1052-W1072 VanDerWaalsContact O-CZ2 3.24Å; I1052-W1072 WeakPolarHBondContact O-CZ2 3.13Å; I1054-W1072 HydrophobicContact CD1-CH2 3.88Å; I1054-W1072 HydrophobicContact CD1-CZ2 4.18Å; I1054-W1072 HydrophobicContact CG1-CH2 3.54Å; I1054-W1072 HydrophobicContact CG1-CZ2 3.44Å; I1054-W1072 VanDerWaalsContact CG1-CZ2 3.44Å; I1069-W1072 WeakPolarHBondContact O-CB 3.37Å; I1069-W1072 PolarHBondContact O-N 2.86Å; T1070-W1072 PolarHBondContact O-N 3.02Å; W1072-P1074 VanDerWaalsContact O-CD 3.3Å; W1072-P1074 WeakPolarHBondContact O-CD 3.43Å
1073L38.4Very low40.1Very low115 Ų115103.9 Ų103.960%0.60256%0.564SS**SBendtrans-72117.5159.6-7792.6000107T1070 T1075T1070-L1073 PolarHBondContact O-N 2.85Å; L1073-T1075 PolarHBondContact O-N 3.07Å
1074P36.2Very low38.7Very low115 Ų11599.5 Ų99.575%0.74756%0.556SS**  trans-70.395.7-176.127.8-34.2000110.4W1072 G1076W1072-P1074 VanDerWaalsContact O-CD 3.3Å; W1072-P1074 WeakPolarHBondContact O-CD 3.43Å; P1074-G1076 PolarHBondContact O-N 3.39Å
1075T31.6Very low37.2Very low131 Ų131103.8 Ų103.880%0.80459%0.586SS**  trans-7263.6169.256.80000110.2L1073L1073-T1075 PolarHBondContact O-N 3.07Å
1076G26.9Very low35.7Very low51 Ų51107 Ų10753%0.52662%0.622SS.*SBendtrans-160.8147.9-17300000112.4P1074 L1078P1074-G1076 PolarHBondContact O-N 3.39Å; G1076-L1078 VanDerWaalsContact C-N 3.3Å; G1076-L1078 PolarHBondContact O-N 3.42Å
1077R28.4Very low34.2Very low263 Ų263114.2 Ų114.299%0.99265%0.649SS**THydrogen-bonded Turntrans-74.468.5-171.6-63.5177.9178.6172.7-1.1113.3
1078L27.2Very low32.8Very low141 Ų141117.9 Ų117.974%0.73867%0.665SS**THydrogen-bonded Turntrans-140.2-3.7178.8-103.7158.1000115.8G1076 K1080G1076-L1078 VanDerWaalsContact C-N 3.3Å; G1076-L1078 PolarHBondContact O-N 3.42Å; L1078-K1080 PolarHBondContact O-N 2.97Å
1079G26.9Very low31.4Very low79 Ų79127 Ų12781%0.81470%0.703SS**THydrogen-bonded Turntrans-72.446.6-177.300000116.5
1080K26Very low30.3Very low210 Ų210131.3 Ų131.391%0.91373%0.727SS**THydrogen-bonded Turntrans-126.67.2179.8-109.1-170.2178.7-172.70115.5L1078L1078-K1080 PolarHBondContact O-N 2.97Å
1081S24.5Very low29.2Very low76 Ų76136.7 Ų136.753%0.53174%0.744SS.*SBendtrans-125.81.5-169.950.90000116.2
1082V26.7Very low28.2Very low126 Ų126135.8 Ų135.876%0.76474%0.737SS**SBendtrans-90.1-9.4-177-176.10000113.1
1083F25.8Very low27.7Very low211 Ų211138 Ų13893%0.92576%0.755SS**SBendtrans-119.654.7178.5-76.5-77.7000112.6
1084S23.5Very low27.3Very low91 Ų91139.5 Ų139.564%0.63676%0.763SS**  trans-154.170178.163.10000115.9
1085S26Very low27Very low123 Ų123141.7 Ų141.786%0.8676%0.763SS**SBendtrans-159.7101.9151.147.90000114.4
1086G23.1Very low26.9Very low75 Ų75142.2 Ų142.277%0.77376%0.761SS**  trans56.968.5138.200000121.2
1087R25.4Very low26.9Very low248 Ų248146 Ų14694%0.93677%0.768SS**  -161.6131.8127.6-104.8157.5-154.4-149.25111.9F1089R1087-F1089 PolarHBondContact O-N 2.67Å
1088V26.7Very low26.8Very low136 Ų136139.6 Ų139.682%0.82475%0.754SS**  trans-35.4118.7-172.8-179.50000115D1090V1088-D1090 PolarHBondContact O-N 3.37Å
1089F25.5Very low26.9Very low206 Ų206136.6 Ų136.690%0.90474%0.744SS**  trans-69.4115.1151.6-104.3-91.5000107.9R1087R1087-F1089 PolarHBondContact O-N 2.67Å
1090D25.9Very low26.9Very low108 Ų108140.2 Ų140.258%0.57875%0.745SS**  trans-71.7133.2172-175.612.7000110V1088 S1092V1088-D1090 PolarHBondContact O-N 3.37Å; D1090-S1092 PolarHBondContact O-N 3.23Å; D1090-S1092 PolarHBondContact OD1-N 3.12Å; D1090-S1092 WeakPolarHBondContact OD2-CB 3.38Å; D1090-S1092 PolarHBondContact OD2-OG 2.97Å
1091K27.8Very low27Very low192 Ų192135.5 Ų135.584%0.83574%0.738SS**G310 helixtrans-77.1-7.2-177.6-72.2-176.1174.2-178.50113.1L1093K1091-L1093 VanDerWaalsContact C-N 3.3Å; K1091-L1093 PolarHBondContact O-N 3.32Å
1092S28.5Very low27.3Very low60 Ų60137.5 Ų137.542%0.4274%0.741SS.*G310 helixtrans-56.8-37.5176.558.80000113.8D1090 L1094 H1095D1090-S1092 PolarHBondContact O-N 3.23Å; D1090-S1092 PolarHBondContact OD1-N 3.12Å; D1090-S1092 WeakPolarHBondContact OD2-CB 3.38Å; D1090-S1092 PolarHBondContact OD2-OG 2.97Å; S1092-L1094 PolarHBondContact O-N 3.42Å; S1092-L1094 VanDerWaalsContact O-N 3.15Å; S1092-H1095 VanDerWaalsContact O-CB 3.29Å; S1092-H1095 WeakPolarHBondContact O-CB 3.5Å; S1092-H1095 PolarHBondContact O-N 3.06Å
1093L30.4Very low27.7Very low140 Ų140138.2 Ų138.273%0.73374%0.741SS**G310 helixtrans-74.3-8.3-168.1-139.2131000114.9K1091K1091-L1093 VanDerWaalsContact C-N 3.3Å; K1091-L1093 PolarHBondContact O-N 3.32Å
1094L30.1Very low28.2Very low147 Ų147137.7 Ų137.777%0.7774%0.741SS**G310 helixtrans-90.1-7.8169.5-85.2164.3000113.3S1092S1092-L1094 PolarHBondContact O-N 3.42Å; S1092-L1094 VanDerWaalsContact O-N 3.15Å
1095H29.1Very low28.6Very low162 Ų162140.6 Ų140.675%0.7575%0.75SS**SBendtrans-87.1-16.2-179.8-158.8-58000113.1S1092S1092-H1095 VanDerWaalsContact O-CB 3.29Å; S1092-H1095 WeakPolarHBondContact O-CB 3.5Å; S1092-H1095 PolarHBondContact O-N 3.06Å
1096D29.8Very low29Very low141 Ų141137.8 Ų137.875%0.75473%0.73SS**SBendtrans-81.8-13.1178.6-79.7-23000113.7N1098D1096-N1098 VanDerWaalsContact C-N 3.26Å; D1096-N1098 PolarHBondContact O-N 2.82Å
1097L28Very low29.3Very low130 Ų130142.9 Ų142.968%0.68173%0.731SS**SBendtrans-83.771.5170.6-68.3176.2000110.2C1099L1097-C1099 PolarHBondContact O-N 2.85Å
1098N26Very low29.7Very low130 Ų130139.5 Ų139.570%0.69572%0.718SS**  trans-65.285.3-177.1-176.13.3000112.6D1096D1096-N1098 VanDerWaalsContact C-N 3.26Å; D1096-N1098 PolarHBondContact O-N 2.82Å
1099C29.7Very low29.8Very low77 Ų77137.2 Ų137.252%0.5271%0.705SS.*  trans-124.158.9-176.3-66.60000111.3L1097 S1101 I1102L1097-C1099 PolarHBondContact O-N 2.85Å; C1099-S1101 PolarHBondContact O-N 3.09Å; C1099-I1102 HydrophobicContact CB-CD1 4.08Å
1100N26.6Very low30Very low156 Ų156133.9 Ų133.983%0.83470%0.695SS**  trans-69.737.6-177.4-72.9-18.3000115
1101S27.9Very low30.3Very low110 Ų110133.2 Ų133.277%0.76969%0.69SS**  trans-161.864.7-179.764.30000112.6C1099C1099-S1101 PolarHBondContact O-N 3.09Å
1102I31.6Very low30.6Very low119 Ų119127.8 Ų127.861%0.6168%0.676SS**  trans-132.5124.4171.8-56.3-179.3000108.8C1099C1099-I1102 HydrophobicContact CB-CD1 4.08Å
1103N34.2Very low30.8Very low141 Ų141131.5 Ų131.575%0.75470%0.697SS**  trans-83.5156.4177.1-92.8-16.6000111.7N1105N1103-N1105 PolarHBondContact O-N 3.33Å
1104E35.6Very low30.8Very low200 Ų200133.4 Ų133.494%0.93570%0.702SS**THydrogen-bonded Turntrans-63.3-8-174-57.5-176.513900115.5
1105N32.5Very low31.2Very low152 Ų152129.3 Ų129.381%0.81369%0.685SS**THydrogen-bonded Turntrans-92.64.2-174.9-76.3-27.3000115.4N1103 K1107N1103-N1105 PolarHBondContact O-N 3.33Å; N1105-K1107 PolarHBondContact O-N 3.46Å; N1105-K1107 VanDerWaalsContact O-N 3.14Å
1106S34.8Very low31.3Very low64 Ų64126.1 Ų126.145%0.44870%0.696SS.*  trans-71.1103.8-179.7-65.90000112.9
1107K28.4Very low31.5Very low182 Ų182126.3 Ų126.379%0.79169%0.69SS**  trans-79.4134.1173.8-72.5-178.8178.3174.60112N1105N1105-K1107 PolarHBondContact O-N 3.46Å; N1105-K1107 VanDerWaalsContact O-N 3.14Å
1108W34.7Very low32.1Very low177 Ų177129.8 Ų129.867%0.6769%0.694SS**  trans-102.2141.5174.9-58.176.1000110.2V1140W1108-V1140 HydrophobicContact CE3-CG2 3.62Å; W1108-V1140 HydrophobicContact CZ3-CG2 3.47Å; W1108-V1140 VanDerWaalsContact CZ3-CG2 3.47Å
1109V28.6Very low32.7Very low88 Ų88130.7 Ų130.753%0.53370%0.696SS.*BIsolated β-bridgetrans-119.3119.2176.2179.90000109.4I1111V1109-I1111 HydrophobicContact CG1-CG1 4.21Å
1110I29.1Very low33.2Very low136 Ų136131 Ų13170%0.69770%0.699SS**  trans-98114.4174.5-59.1173.1000107.8I1142I1110-I1142 HydrophobicContact CG2-CD1 4.18Å
1111I32.5Very low34.1Very low94 Ų94127.1 Ų127.148%0.48268%0.678SS.*  trans-89.6112.2179.8-58179.5000109.1V1109 L1139V1109-I1111 HydrophobicContact CG1-CG1 4.21Å; I1111-L1139 HydrophobicContact CD1-CD2 3.94Å
1112S34.3Very low34.9Very low77 Ų77125.6 Ų125.654%0.53866%0.658SS.*  trans-80.8138.3172.6178.70000111Q1114S1112-Q1114 PolarHBondContact O-N 3.21Å; S1112-Q1114 VanDerWaalsContact O-N 3.16Å
1113T32.7Very low35.4Very low139 Ų139124.2 Ų124.285%0.85365%0.652SS**THydrogen-bonded Turntrans-77.27.6-175.247.60000114.9S1115T1113-S1115 VanDerWaalsContact C-N 3.27Å; T1113-S1115 PolarHBondContact O-N 2.95Å
1114Q31.5Very low36.1Very low179 Ų179124 Ų12484%0.83665%0.646SS**THydrogen-bonded Turntrans-75.93.6-174.5-71.6-170-23.500116.1S1112S1112-Q1114 PolarHBondContact O-N 3.21Å; S1112-Q1114 VanDerWaalsContact O-N 3.16Å
1115S37.7Very low36.6Very low61 Ų61120.4 Ų120.443%0.42763%0.629SS.*SBendtrans-107117.8174.671.80000112.4T1113 K1117T1113-S1115 VanDerWaalsContact C-N 3.27Å; T1113-S1115 PolarHBondContact O-N 2.95Å; S1115-K1117 PolarHBondContact O-N 2.83Å
1116G31.2Very low37.1Very low95 Ų95116.8 Ų116.898%0.97961%0.61SS**  trans-73.246.4-178.900000116.2
1117K34.6Very low37.3Very low145 Ų145123.4 Ų123.463%0.6363%0.625SS**SBendtrans-107.2154.1170.5-70.8-175.3175.8-1760109.9S1115S1115-K1117 PolarHBondContact O-N 2.83Å
1118R39.9Very low38Very low203 Ų203118.5 Ų118.577%0.76661%0.613SS**  trans-72.5144-179.2-70.3179.4165.7-176.3-3.8109.7C1120 D1121R1118-C1120 PolarHBondContact O-N 3.05Å; R1118-D1121 WeakPolarHBondContact CB-OD2 3.34Å; R1118-D1121 PolarHBondContact N-OD2 3.16Å; R1118-D1121 WeakPolarHBondContact O-CB 3.4Å; R1118-D1121 PolarHBondContact O-N 3.18Å
1119M39Very low38.3Very low149 Ų149113.5 Ų113.573%0.73461%0.606SS**Hα-helixtrans-57.2-33.2-178.7-174.1169.26300112.6D1121 L1123M1119-D1121 VanDerWaalsContact C-N 3.3Å; M1119-D1121 PolarHBondContact O-N 2.84Å; M1119-L1123 HydrophobicContact CG-CD1 3.92Å; M1119-L1123 HydrophobicContact CG-CG 4.4Å; M1119-L1123 WeakPolarHBondContact O-CB 3.5Å; M1119-L1123 VanDerWaalsContact O-CG 3.31Å; M1119-L1123 WeakPolarHBondContact O-CG 3.35Å; M1119-L1123 PolarHBondContact O-N 3.07Å
1120C40Very low38.8Very low85 Ų85112.6 Ų112.657%0.57461%0.607SS**Hα-helixtrans-59.7-36.8174-62.70000113.3R1118 L1123 Q1124R1118-C1120 PolarHBondContact O-N 3.05Å; C1120-L1123 PolarHBondContact O-N 3.07Å; C1120-Q1124 WeakPolarHBondContact O-CB 3.44Å; C1120-Q1124 WeakPolarHBondContact O-CG 3.5Å; C1120-Q1124 PolarHBondContact O-N 3.42Å
1121D45.3Very low39.1Very low73 Ų73112.9 Ų112.939%0.3961%0.61SS.*Hα-helixtrans-68-45.8-175.7-43.9-26.1000109.8R1118 M1119 Q1124 Q1125R1118-D1121 WeakPolarHBondContact CB-OD2 3.34Å; R1118-D1121 PolarHBondContact N-OD2 3.16Å; R1118-D1121 WeakPolarHBondContact O-CB 3.4Å; R1118-D1121 PolarHBondContact O-N 3.18Å; M1119-D1121 VanDerWaalsContact C-N 3.3Å; M1119-D1121 PolarHBondContact O-N 2.84Å; D1121-Q1124 PolarHBondContact O-N 3.02Å; D1121-Q1125 WeakPolarHBondContact O-CB 3.48Å; D1121-Q1125 PolarHBondContact O-N 3.42Å
1122H45.6Very low39.2Very low78 Ų78115.9 Ų115.936%0.36163%0.626SS.*Hα-helixtrans-64.6-41.2174.1-105114.8000112.2Q1125 L1126H1122-Q1125 PolarHBondContact O-N 3.44Å; H1122-L1126 WeakPolarHBondContact O-CB 3.5Å; H1122-L1126 WeakPolarHBondContact O-CG 3.38Å; H1122-L1126 PolarHBondContact O-N 3.13Å
1123L41.6Very low39.1Very low90 Ų90115.2 Ų115.247%0.47163%0.632SS.*Hα-helixtrans-67.1-34.4177.2-72.5171.6000112.3M1119 C1120 R1127M1119-L1123 HydrophobicContact CG-CD1 3.92Å; M1119-L1123 HydrophobicContact CG-CG 4.4Å; M1119-L1123 WeakPolarHBondContact O-CB 3.5Å; M1119-L1123 VanDerWaalsContact O-CG 3.31Å; M1119-L1123 WeakPolarHBondContact O-CG 3.35Å; M1119-L1123 PolarHBondContact O-N 3.07Å; C1120-L1123 PolarHBondContact O-N 3.07Å; L1123-R1127 WeakPolarHBondContact O-CB 3.04Å; L1123-R1127 PolarHBondContact O-N 2.89Å
1124Q47.8Very low39Very low137 Ų137114.7 Ų114.764%0.6463%0.629SS**Hα-helixtrans-68.6-43.5170.7-78.4-174.1-45.200111.7C1120 D1121 L1126 R1127 S1128C1120-Q1124 WeakPolarHBondContact O-CB 3.44Å; C1120-Q1124 WeakPolarHBondContact O-CG 3.5Å; C1120-Q1124 PolarHBondContact O-N 3.42Å; D1121-Q1124 PolarHBondContact O-N 3.02Å; Q1124-L1126 PolarHBondContact O-N 3.46Å; Q1124-R1127 CarbonylContact O-C 3.33Å; Q1124-R1127 PolarHBondContact O-N 3.24Å; Q1124-R1127 VanDerWaalsContact O-N 3.15Å; Q1124-S1128 PolarHBondContact O-N 2.96Å; Q1124-S1128 PolarHBondContact O-OG 2.95Å
1125Q47.7Very low39.2Very low124 Ų124114.2 Ų114.258%0.57963%0.627SS**Hα-helixtrans-67.6-35-179-163.8168.316.100113D1121 H1122 S1128 S1129D1121-Q1125 WeakPolarHBondContact O-CB 3.48Å; D1121-Q1125 PolarHBondContact O-N 3.42Å; H1122-Q1125 PolarHBondContact O-N 3.44Å; Q1125-S1128 WeakPolarHBondContact CA-OG 3.09Å; Q1125-S1128 PolarHBondContact O-OG 2.83Å; Q1125-S1129 PolarHBondContact O-N 2.96Å; Q1125-S1129 PolarHBondContact O-OG 3.22Å
1126L42.7Very low39Very low76 Ų76118.5 Ų118.540%0.39865%0.645SS.*Hα-helixtrans-68.4-41.3168.8-74.9166.4000111.6H1122 Q1124 S1128 S1129 A1130H1122-L1126 WeakPolarHBondContact O-CB 3.5Å; H1122-L1126 WeakPolarHBondContact O-CG 3.38Å; H1122-L1126 PolarHBondContact O-N 3.13Å; Q1124-L1126 PolarHBondContact O-N 3.46Å; L1126-S1128 VanDerWaalsContact C-N 3.32Å; L1126-S1128 PolarHBondContact O-N 3.48Å; L1126-S1129 WeakPolarHBondContact CA-OG 3.32Å; L1126-S1129 PolarHBondContact O-N 3.05Å; L1126-S1129 PolarHBondContact O-OG 3.45Å; L1126-S1129 VanDerWaalsContact O-OG 3.13Å; L1126-A1130 WeakPolarHBondContact O-CB 3.42Å; L1126-A1130 PolarHBondContact O-N 3.32Å
1127R38.5Very low39.1Very low203 Ų203119.2 Ų119.277%0.76663%0.625SS**Hα-helixtrans-67.5-28.5177.5-172.6174.5-176.3174.92.2113.5L1123 Q1124L1123-R1127 WeakPolarHBondContact O-CB 3.04Å; L1123-R1127 PolarHBondContact O-N 2.89Å; Q1124-R1127 CarbonylContact O-C 3.33Å; Q1124-R1127 PolarHBondContact O-N 3.24Å; Q1124-R1127 VanDerWaalsContact O-N 3.15Å
1128S43.1Very low39Very low79 Ų79119.1 Ų119.155%0.55263%0.625SS**Hα-helixtrans-79.5-20173.254.40000113.8Q1124 Q1125 L1126Q1124-S1128 PolarHBondContact O-N 2.96Å; Q1124-S1128 PolarHBondContact O-OG 2.95Å; Q1125-S1128 WeakPolarHBondContact CA-OG 3.09Å; Q1125-S1128 PolarHBondContact O-OG 2.83Å; L1126-S1128 VanDerWaalsContact C-N 3.32Å; L1126-S1128 PolarHBondContact O-N 3.48Å
1129S40.4Very low38.6Very low73 Ų73114.6 Ų114.651%0.5162%0.615SS.*Hα-helixtrans-95.3-23.9176.242.90000113.3Q1125 L1126 L1131Q1125-S1129 PolarHBondContact O-N 2.96Å; Q1125-S1129 PolarHBondContact O-OG 3.22Å; L1126-S1129 WeakPolarHBondContact CA-OG 3.32Å; L1126-S1129 PolarHBondContact O-N 3.05Å; L1126-S1129 PolarHBondContact O-OG 3.45Å; L1126-S1129 VanDerWaalsContact O-OG 3.13Å; S1129-L1131 PolarHBondContact O-N 2.97Å
1130A40Very low38.1Very low69 Ų69111 Ų11157%0.5760%0.601SS**THydrogen-bonded Turntrans-77.113.8172.800000114.7L1126L1126-A1130 WeakPolarHBondContact O-CB 3.42Å; L1126-A1130 PolarHBondContact O-N 3.32Å
1131L35.9Very low37.5Very low142 Ų142115 Ų11574%0.74361%0.612SS**THydrogen-bonded Turntrans-90.1-21177.3-89.6162.6000113.4S1129 G1133S1129-L1131 PolarHBondContact O-N 2.97Å; L1131-G1133 PolarHBondContact O-N 3.32Å
1132D33.4Very low36.7Very low156 Ų156117.4 Ų117.483%0.83462%0.623SS**SBendtrans-80.990.8166.6-70.4-36.6000108.8T1134D1132-T1134 PolarHBondContact O-N 2.71Å
1133G33Very low35.9Very low64 Ų64120.8 Ų120.866%0.6665%0.649SS**  trans-72.1112.1-165.700000114.7L1131L1131-G1133 PolarHBondContact O-N 3.32Å
1134T30.6Very low35.7Very low128 Ų128122.4 Ų122.479%0.78566%0.658SS**  trans-175.260.9146.520.30000112.2D1132D1132-T1134 PolarHBondContact O-N 2.71Å
1135Q35Very low35Very low169 Ų169121.6 Ų121.679%0.7966%0.659SS**  trans-165130.3166.5-113.7139.8103.600113.4
1136D33.1Very low34.3Very low150 Ų150121.4 Ų121.480%0.80266%0.664SS**  trans-84.6119.9167.7-74.3-49.7000110.2F1138D1136-F1138 HydrophobicContact CB-CE2 4.31Å
1137I33.3Very low33.8Very low110 Ų110124.1 Ų124.156%0.56468%0.679SS**  trans-108.3112.7-179.9-58.7177.1000109.6
1138F33.4Very low33.5Very low144 Ų144119.2 Ų119.263%0.63267%0.674SS**  trans-89.7111.5172.9-73-88.5000110.8D1136D1136-F1138 HydrophobicContact CB-CE2 4.31Å
1139L30.2Very low32.9Very low107 Ų107121.9 Ų121.956%0.5668%0.682SS**BIsolated β-bridgetrans-81.2115173.3-92158.6000110.7I1111I1111-L1139 HydrophobicContact CD1-CD2 3.94Å
1140V29.5Very low32.4Very low73 Ų73125.4 Ų125.444%0.44269%0.694SS.*  trans-91.9108.8165.9-179.90000108.3W1108 I1142W1108-V1140 HydrophobicContact CE3-CG2 3.62Å; W1108-V1140 HydrophobicContact CZ3-CG2 3.47Å; W1108-V1140 VanDerWaalsContact CZ3-CG2 3.47Å; V1140-I1142 HydrophobicContact CG1-CG1 4.13Å; V1140-I1142 PolarHBondContact O-N 2.68Å
1141Q28.2Very low31.8Very low170 Ų170129.7 Ų129.779%0.79470%0.704SS**  trans-77.3102.5167.6-172.2-178.7-4.900108.7V1143Q1141-V1143 HydrophobicContact CG-CG2 3.84Å
1142I27Very low31.4Very low124 Ų124128.7 Ų128.764%0.63670%0.7SS**  trans-81121.4159.8-56.4178.2000106.3I1110 V1140I1110-I1142 HydrophobicContact CG2-CD1 4.18Å; V1140-I1142 HydrophobicContact CG1-CG1 4.13Å; V1140-I1142 PolarHBondContact O-N 2.68Å
1143V30.4Very low31.3Very low149 Ų149126.2 Ų126.290%0.90369%0.688SS**  trans-104.90167.3-175.60000107.2Q1141Q1141-V1143 HydrophobicContact CG-CG2 3.84Å

Retrieved 1,143 of 1,143 residues in 571.4 ms (Link to these results)

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