A0A077Z8R4_TRITR Loading...

Nuclear factor of kappa light polypeptide gene en hancer in B-cells inhibitor-like 2

AlphaFold DB , UniProt , Accession A0A077Z8R4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 999 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
1M79.4Confident82.1Confident152 Ų15283.1 Ų83.175%0.74944%0.44SS*.  0-80.80-65.2176.370.100111.2K3 M4 L5 L17M1-K3 PolarHBondContact O-N 2.71Å; M1-M4 WeakPolarHBondContact O-CA 3.09Å; M1-M4 VanDerWaalsContact O-CB 3.32Å; M1-M4 WeakPolarHBondContact O-CB 3.43Å; M1-M4 PolarHBondContact O-N 3.14Å; M1-L5 PolarHBondContact O-N 3.07Å; M1-L5 VanDerWaalsContact O-N 3.14Å; M1-L17 HydrophobicContact CB-CD2 3.42Å; M1-L17 VanDerWaalsContact CB-CD2 3.42Å; M1-L17 HydrophobicContact CE-CD1 4.48Å; M1-L17 HydrophobicContact CE-CD2 4.1Å
2L82Confident82.6Confident38 Ų3888.5 Ų88.520%0.19946%0.461CS..Hα-helixtrans-39.6-58.5-177-72.4174.4000115.6M4 L5 I6 A14 L17 A18 V44L2-M4 PolarHBondContact O-N 2.8Å; L2-M4 VanDerWaalsContact O-N 3.13Å; L2-L5 PolarHBondContact O-N 3.12Å; L2-L5 VanDerWaalsContact O-N 3.09Å; L2-I6 WeakPolarHBondContact O-CG1 3.29Å; L2-I6 PolarHBondContact O-N 3.27Å; L2-A14 WeakPolarHBondContact CD2-O 3.48Å; L2-L17 HydrophobicContact CD2-CB 3.9Å; L2-L17 HydrophobicContact CD2-CD2 3.88Å; L2-L17 HydrophobicContact CD2-CG 3.92Å; L2-L17 HydrophobicContact CG-CD2 3.9Å; L2-L17 HydrophobicContact CG-CG 4.18Å; L2-A18 HydrophobicContact CD2-CB 3.96Å; L2-V44 HydrophobicContact CD2-CG2 4.47Å
3K78.7Confident83.1Confident167 Ų16790.5 Ų90.573%0.72647%0.466SS*.Hα-helixtrans-57.1-27.7178.1-69.9-169175-171.70114.8M1 G7M1-K3 PolarHBondContact O-N 2.71Å; K3-G7 PolarHBondContact O-N 3.36Å
4M82.6Confident83.7Confident113 Ų11384 Ų8456%0.55743%0.433SS*.Hα-helixtrans-78.4-42.5176.6-47.7-173.5-37.200110.8M1 L2 G7 Y8M1-M4 WeakPolarHBondContact O-CA 3.09Å; M1-M4 VanDerWaalsContact O-CB 3.32Å; M1-M4 WeakPolarHBondContact O-CB 3.43Å; M1-M4 PolarHBondContact O-N 3.14Å; L2-M4 PolarHBondContact O-N 2.8Å; L2-M4 VanDerWaalsContact O-N 3.13Å; M4-G7 CarbonylContact O-C 3.27Å; M4-G7 PolarHBondContact O-N 3.34Å; M4-Y8 HydrophobicContact CB-CD2 4.47Å; M4-Y8 HydrophobicContact CB-CE2 4.36Å; M4-Y8 WeakPolarHBondContact O-CD2 3.47Å; M4-Y8 PolarHBondContact O-N 2.99Å
5L84.4Confident84.2Confident25 Ų2579.1 Ų79.113%0.13141%0.41CS..Hα-helixtrans-63.5-43.9178-64.6169.7000110.9M1 L2 G7 Y8 G9 D10 Q13 A14 L17M1-L5 PolarHBondContact O-N 3.07Å; M1-L5 VanDerWaalsContact O-N 3.14Å; L2-L5 PolarHBondContact O-N 3.12Å; L2-L5 VanDerWaalsContact O-N 3.09Å; L5-G7 PolarHBondContact O-N 2.77Å; L5-Y8 PolarHBondContact O-N 2.86Å; L5-G9 PolarHBondContact O-N 2.95Å; L5-G9 VanDerWaalsContact O-N 3.15Å; L5-D10 HydrophobicContact CD2-CB 4.35Å; L5-D10 PolarHBondContact O-N 3.35Å; L5-Q13 HydrophobicContact CD1-CB 3.95Å; L5-Q13 HydrophobicContact CD2-CB 4.03Å; L5-A14 HydrophobicContact CB-CB 3.86Å; L5-L17 HydrophobicContact CD1-CD2 4.01Å
6I80.9Confident84.7Confident44 Ų4477.8 Ų77.823%0.22641%0.409CS..Hα-helixtrans-56.8-47.8170.6-65.5162.4000110.8L2 Y8 G9 F11 A14 V44 T47L2-I6 WeakPolarHBondContact O-CG1 3.29Å; L2-I6 PolarHBondContact O-N 3.27Å; I6-Y8 VanDerWaalsContact C-N 3.28Å; I6-Y8 PolarHBondContact O-N 3.4Å; I6-G9 PolarHBondContact O-N 2.67Å; I6-F11 HydrophobicContact CG2-CE1 4.29Å; I6-A14 HydrophobicContact CG1-CB 4.15Å; I6-V44 HydrophobicContact CD1-CG2 3.99Å; I6-V44 HydrophobicContact CG1-CG2 4.33Å; I6-T47 HydrophobicContact CG2-CG2 3.89Å
7G76.2Confident85.1Confident68 Ų6875.4 Ų75.470%0.70140%0.397SS*.Hα-helixtrans-67-22.4178.800000115K3 M4 L5K3-G7 PolarHBondContact O-N 3.36Å; M4-G7 CarbonylContact O-C 3.27Å; M4-G7 PolarHBondContact O-N 3.34Å; L5-G7 PolarHBondContact O-N 2.77Å
8Y83.1Confident85.5Confident195 Ų19571.2 Ų71.277%0.76538%0.375SS*.THydrogen-bonded Turntrans-89.6-1.8171.3-72-55.5000113.5M4 L5 I6 D10M4-Y8 HydrophobicContact CB-CD2 4.47Å; M4-Y8 HydrophobicContact CB-CE2 4.36Å; M4-Y8 WeakPolarHBondContact O-CD2 3.47Å; M4-Y8 PolarHBondContact O-N 2.99Å; L5-Y8 PolarHBondContact O-N 2.86Å; I6-Y8 VanDerWaalsContact C-N 3.28Å; I6-Y8 PolarHBondContact O-N 3.4Å; Y8-D10 PolarHBondContact O-N 3.41Å
9G80.3Confident85.8Confident41 Ų4169.9 Ų69.942%0.42337%0.37SS..THydrogen-bonded Turntrans7211-174.200000114.7L5 I6 F11L5-G9 PolarHBondContact O-N 2.95Å; L5-G9 VanDerWaalsContact O-N 3.15Å; I6-G9 PolarHBondContact O-N 2.67Å; G9-F11 VanDerWaalsContact C-N 3.27Å; G9-F11 WeakPolarHBondContact O-CD2 3.34Å; G9-F11 PolarHBondContact O-N 3.01Å
10D87.2Confident86.1Confident52 Ų5271.2 Ų71.228%0.27837%0.374SS..  trans-84.773.6177.5-163.3-36.3000110.3L5 Y8 E12 Q13 A14L5-D10 HydrophobicContact CD2-CB 4.35Å; L5-D10 PolarHBondContact O-N 3.35Å; Y8-D10 PolarHBondContact O-N 3.41Å; D10-E12 VanDerWaalsContact C-N 3.3Å; D10-E12 PolarHBondContact O-N 2.87Å; D10-Q13 VanDerWaalsContact OD1-CB 3.26Å; D10-Q13 WeakPolarHBondContact OD1-CB 3.41Å; D10-Q13 WeakPolarHBondContact OD1-CG 3.31Å; D10-Q13 PolarHBondContact OD1-N 2.9Å; D10-Q13 PolarHBondContact OD2-NE2 3.29Å; D10-A14 VanDerWaalsContact O-CB 3.28Å; D10-A14 WeakPolarHBondContact O-CB 3.39Å; D10-A14 PolarHBondContact O-N 3.11Å
11F87.9Confident86.3Confident19 Ų1971.1 Ų71.18%0.08337%0.374CS..Hα-helixtrans-71.4-23.7-177.8-60.4-69.8000113.2I6 G9 A15 T47 W48 T51I6-F11 HydrophobicContact CG2-CE1 4.29Å; G9-F11 VanDerWaalsContact C-N 3.27Å; G9-F11 WeakPolarHBondContact O-CD2 3.34Å; G9-F11 PolarHBondContact O-N 3.01Å; F11-A15 WeakPolarHBondContact O-CB 3.49Å; F11-A15 PolarHBondContact O-N 2.95Å; F11-T47 HydrophobicContact CE1-CG2 3.89Å; F11-T47 HydrophobicContact CZ-CG2 4.24Å; F11-W48 HydrophobicContact CB-CB 4.02Å; F11-W48 HydrophobicContact CB-CD2 3.36Å; F11-W48 HydrophobicContact CB-CE3 3.61Å; F11-W48 HydrophobicContact CB-CG 3.56Å; F11-W48 HydrophobicContact CB-CH2 4.49Å; F11-W48 HydrophobicContact CB-CZ2 4.3Å; F11-W48 HydrophobicContact CB-CZ3 4.17Å; F11-W48 HydrophobicContact CD1-CB 3.81Å; F11-W48 HydrophobicContact CD1-CG 4.22Å; F11-W48 HydrophobicContact CD2-CB 4.33Å; F11-W48 AromaticContact CD2-CD1 3.76Å; F11-W48 HydrophobicContact CD2-CG 4.01Å; F11-W48 HydrophobicContact CE1-CB 4.4Å; F11-W48 HydrophobicContact CG-CB 3.78Å; F11-W48 AromaticContact CG-CD1 3.9Å; F11-W48 HydrophobicContact CG-CD2 4.05Å; F11-W48 AromaticContact CG-CG 3.66Å; F11-W48 HydrophobicContact CG-CG 3.66Å; F11-T51 HydrophobicContact CE2-CG2 4.1Å; F11-T51 WeakPolarHBondContact CE2-OG1 3.27Å; F11-T51 HydrophobicContact CZ-CG2 3.77Å; F11-T51 WeakPolarHBondContact CZ-OG1 3.2Å
12E88.7Confident86.8Confident148 Ų14867.6 Ų67.669%0.69235%0.352SS*.Hα-helixtrans-69.5-50.8175.8-64.1-161.9149.800111.2D10 A14 A15 S16 W48D10-E12 VanDerWaalsContact C-N 3.3Å; D10-E12 PolarHBondContact O-N 2.87Å; E12-A14 VanDerWaalsContact C-N 3.33Å; E12-A14 PolarHBondContact O-N 3.21Å; E12-A15 PolarHBondContact O-N 3.32Å; E12-S16 PolarHBondContact O-N 3.35Å; E12-W48 HydrophobicContact CG-CH2 3.9Å; E12-W48 HydrophobicContact CG-CZ2 4.22Å
13Q89.5Confident87.2Confident114 Ų11468.3 Ų68.353%0.53336%0.363SS..Hα-helixtrans-66.2-36.6174.4-67.4-171.260.600111.6L5 D10 A15 S16 L17L5-Q13 HydrophobicContact CD1-CB 3.95Å; L5-Q13 HydrophobicContact CD2-CB 4.03Å; D10-Q13 VanDerWaalsContact OD1-CB 3.26Å; D10-Q13 WeakPolarHBondContact OD1-CB 3.41Å; D10-Q13 WeakPolarHBondContact OD1-CG 3.31Å; D10-Q13 PolarHBondContact OD1-N 2.9Å; D10-Q13 PolarHBondContact OD2-NE2 3.29Å; Q13-A15 VanDerWaalsContact C-N 3.33Å; Q13-A15 PolarHBondContact O-N 3.19Å; Q13-S16 PolarHBondContact O-N 3.35Å; Q13-L17 WeakPolarHBondContact O-CB 3.23Å; Q13-L17 PolarHBondContact O-N 3.4Å
14A91.4Very high87.7Confident0 Ų065.4 Ų65.40%036%0.355CS..Hα-helixtrans-61.3-41.6174.700000111.8L2 L5 I6 D10 E12 A18 V44L2-A14 WeakPolarHBondContact CD2-O 3.48Å; L5-A14 HydrophobicContact CB-CB 3.86Å; I6-A14 HydrophobicContact CG1-CB 4.15Å; D10-A14 VanDerWaalsContact O-CB 3.28Å; D10-A14 WeakPolarHBondContact O-CB 3.39Å; D10-A14 PolarHBondContact O-N 3.11Å; E12-A14 VanDerWaalsContact C-N 3.33Å; E12-A14 PolarHBondContact O-N 3.21Å; A14-A18 VanDerWaalsContact O-CB 3.28Å; A14-A18 WeakPolarHBondContact O-CB 3.4Å; A14-A18 PolarHBondContact O-N 3.44Å; A14-V44 HydrophobicContact CB-CG1 3.87Å; A14-V44 HydrophobicContact CB-CG2 4.18Å
15A91.3Very high88Confident10 Ų1060.4 Ų60.48%0.08333%0.331CS..Hα-helixtrans-68.6-43.817800000112.1F11 E12 Q13 A18 T19 V44 Y45 W48F11-A15 WeakPolarHBondContact O-CB 3.49Å; F11-A15 PolarHBondContact O-N 2.95Å; E12-A15 PolarHBondContact O-N 3.32Å; Q13-A15 VanDerWaalsContact C-N 3.33Å; Q13-A15 PolarHBondContact O-N 3.19Å; A15-A18 PolarHBondContact O-N 3.48Å; A15-T19 WeakPolarHBondContact O-CG2 3.4Å; A15-T19 PolarHBondContact O-N 3.22Å; A15-T19 PolarHBondContact O-OG1 2.7Å; A15-V44 HydrophobicContact CB-CG1 4.11Å; A15-Y45 HydrophobicContact CB-CE1 4.07Å; A15-W48 HydrophobicContact CB-CZ3 4.21Å
16S92.2Very high88.1Confident58 Ų5863.5 Ų63.541%0.40635%0.351SS..Hα-helixtrans-56.3-55.4175.3-1680000110.5E12 Q13 A18 T19 E20E12-S16 PolarHBondContact O-N 3.35Å; Q13-S16 PolarHBondContact O-N 3.35Å; S16-A18 VanDerWaalsContact C-N 3.27Å; S16-A18 PolarHBondContact O-N 2.87Å; S16-T19 CarbonylContact O-C 3.53Å; S16-T19 WeakPolarHBondContact O-CA 3.45Å; S16-T19 PolarHBondContact O-N 3.42Å; S16-T19 PolarHBondContact O-OG1 3.47Å; S16-E20 WeakPolarHBondContact O-CG 3.3Å; S16-E20 PolarHBondContact O-N 2.72Å; S16-E20 PolarHBondContact OG-OE1 3.37Å
17L91.7Very high88.3Confident38 Ų3869 Ų6920%0.19938%0.376CS..Hα-helixtrans-61.2-33.5-178.8-177.264.6000113.1M1 L2 L5 Q13 N21M1-L17 HydrophobicContact CB-CD2 3.42Å; M1-L17 VanDerWaalsContact CB-CD2 3.42Å; M1-L17 HydrophobicContact CE-CD1 4.48Å; M1-L17 HydrophobicContact CE-CD2 4.1Å; L2-L17 HydrophobicContact CD2-CB 3.9Å; L2-L17 HydrophobicContact CD2-CD2 3.88Å; L2-L17 HydrophobicContact CD2-CG 3.92Å; L2-L17 HydrophobicContact CG-CD2 3.9Å; L2-L17 HydrophobicContact CG-CG 4.18Å; L5-L17 HydrophobicContact CD1-CD2 4.01Å; Q13-L17 WeakPolarHBondContact O-CB 3.23Å; Q13-L17 PolarHBondContact O-N 3.4Å; L17-N21 WeakPolarHBondContact O-CB 3.36Å; L17-N21 PolarHBondContact O-N 2.61Å
18A91.3Very high88.5Confident0 Ų068.2 Ų68.20%036%0.36CS..Hα-helixtrans-70.3-37.2174.500000111.7L2 A14 A15 S16 R22 L41 V44L2-A18 HydrophobicContact CD2-CB 3.96Å; A14-A18 VanDerWaalsContact O-CB 3.28Å; A14-A18 WeakPolarHBondContact O-CB 3.4Å; A14-A18 PolarHBondContact O-N 3.44Å; A15-A18 PolarHBondContact O-N 3.48Å; S16-A18 VanDerWaalsContact C-N 3.27Å; S16-A18 PolarHBondContact O-N 2.87Å; A18-R22 WeakPolarHBondContact O-CB 3.16Å; A18-R22 PolarHBondContact O-N 2.84Å; A18-L41 HydrophobicContact CB-CB 4.21Å; A18-L41 HydrophobicContact CB-CD1 3.64Å; A18-V44 HydrophobicContact CB-CG2 4.23Å
19T91.6Very high88.1Confident46 Ų4666.8 Ų66.828%0.28236%0.36SS..Hα-helixtrans-69.5-34.6173.356.50000113.7A15 S16 R22 A23 L41A15-T19 WeakPolarHBondContact O-CG2 3.4Å; A15-T19 PolarHBondContact O-N 3.22Å; A15-T19 PolarHBondContact O-OG1 2.7Å; S16-T19 CarbonylContact O-C 3.53Å; S16-T19 WeakPolarHBondContact O-CA 3.45Å; S16-T19 PolarHBondContact O-N 3.42Å; S16-T19 PolarHBondContact O-OG1 3.47Å; T19-R22 PolarHBondContact O-N 2.96Å; T19-A23 PolarHBondContact O-N 3.46Å; T19-L41 HydrophobicContact CG2-CD1 3.86Å; T19-L41 HydrophobicContact CG2-CD2 4.03Å
20E91.7Very high88.2Confident96 Ų9667.7 Ų67.745%0.44936%0.355SS..Hα-helixtrans-64.6-49171.9-70.7159.3-135.200111.1S16 R22 A23 I24S16-E20 WeakPolarHBondContact O-CG 3.3Å; S16-E20 PolarHBondContact O-N 2.72Å; S16-E20 PolarHBondContact OG-OE1 3.37Å; E20-R22 PolarHBondContact O-N 2.68Å; E20-A23 WeakPolarHBondContact O-CB 3.1Å; E20-A23 PolarHBondContact O-N 3.27Å; E20-I24 WeakPolarHBondContact O-CG1 3.41Å; E20-I24 PolarHBondContact O-N 3.38Å; E20-I24 VanDerWaalsContact O-N 3.14Å
21N89.7Confident87.9Confident69 Ų6967.6 Ų67.637%0.36935%0.354SS..Hα-helixtrans-57.3-37.6174.3-175.556.3000112L17 A25L17-N21 WeakPolarHBondContact O-CB 3.36Å; L17-N21 PolarHBondContact O-N 2.61Å; N21-A25 WeakPolarHBondContact O-CB 3.41Å; N21-A25 PolarHBondContact O-N 2.86Å
22R90Very high87.6Confident78 Ų7868.4 Ų68.429%0.29436%0.361SS..Hα-helixtrans-66.7-37.6174.3-174.6-178.161.2178.6-4.9113.2A18 T19 E20 A25 V26 A37 E38A18-R22 WeakPolarHBondContact O-CB 3.16Å; A18-R22 PolarHBondContact O-N 2.84Å; T19-R22 PolarHBondContact O-N 2.96Å; E20-R22 PolarHBondContact O-N 2.68Å; R22-A25 PolarHBondContact O-N 3.08Å; R22-V26 WeakPolarHBondContact O-CG2 3.25Å; R22-V26 PolarHBondContact O-N 3.03Å; R22-A37 HydrophobicContact CB-CB 4.02Å; R22-A37 HydrophobicContact CG-CB 4.35Å; R22-E38 WeakPolarHBondContact CD-OE1 3.35Å; R22-E38 HydrophobicContact CG-CG 4.45Å; R22-E38 IonicContact CZ-OE1 3.1Å; R22-E38 IonicContact NE-OE1 2.41Å; R22-E38 IonicContact NH1-OE1 2.87Å; R22-E38 PolarHBondContact NH1-OE1 2.87Å; R22-E38 IonicContact NH1-OE2 3.99Å; R22-E38 PolarHBondContact NH1-OE2 3.12Å
23A90.5Very high87.4Confident53 Ų5364.7 Ų64.744%0.43835%0.346SS..Hα-helixtrans-61.4-48.9175.300000110.8T19 E20 A25 V26 E27T19-A23 PolarHBondContact O-N 3.46Å; E20-A23 WeakPolarHBondContact O-CB 3.1Å; E20-A23 PolarHBondContact O-N 3.27Å; A23-A25 VanDerWaalsContact C-N 3.3Å; A23-A25 PolarHBondContact O-N 2.94Å; A23-V26 PolarHBondContact O-N 2.79Å; A23-V26 VanDerWaalsContact O-N 3.15Å; A23-E27 PolarHBondContact O-N 2.85Å; A23-E27 VanDerWaalsContact O-N 3.15Å
24I90Very high87.3Confident107 Ų10761.2 Ų61.255%0.54933%0.329SS..Hα-helixtrans-59.7-40.7175.9-60.3165.5000111.1E20 V26 E27 S28E20-I24 WeakPolarHBondContact O-CG1 3.41Å; E20-I24 PolarHBondContact O-N 3.38Å; E20-I24 VanDerWaalsContact O-N 3.14Å; I24-V26 VanDerWaalsContact C-N 3.34Å; I24-V26 PolarHBondContact O-N 3.41Å; I24-E27 PolarHBondContact O-N 3.32Å; I24-S28 PolarHBondContact O-N 3.49Å; I24-S28 VanDerWaalsContact O-N 3.09Å
25A87.9Confident87Confident7 Ų761.6 Ų61.66%0.05833%0.331CS..Hα-helixtrans-64.3-36177.600000113.1N21 R22 A23 S28 N33 K34 A37N21-A25 WeakPolarHBondContact O-CB 3.41Å; N21-A25 PolarHBondContact O-N 2.86Å; R22-A25 PolarHBondContact O-N 3.08Å; A23-A25 VanDerWaalsContact C-N 3.3Å; A23-A25 PolarHBondContact O-N 2.94Å; A25-S28 PolarHBondContact O-N 3Å; A25-S28 PolarHBondContact O-OG 3.46Å; A25-N33 HydrophobicContact CB-CB 4.16Å; A25-N33 WeakPolarHBondContact CB-O 3.18Å; A25-K34 WeakPolarHBondContact O-CG 3.48Å; A25-A37 HydrophobicContact CB-CB 3.68Å
26V86.5Confident86.7Confident91 Ų9164.4 Ų64.455%0.55234%0.344SS*.Hα-helixtrans-65.6-41.9174168.80000111.3R22 A23 I24 S28R22-V26 WeakPolarHBondContact O-CG2 3.25Å; R22-V26 PolarHBondContact O-N 3.03Å; A23-V26 PolarHBondContact O-N 2.79Å; A23-V26 VanDerWaalsContact O-N 3.15Å; I24-V26 VanDerWaalsContact C-N 3.34Å; I24-V26 PolarHBondContact O-N 3.41Å; V26-S28 VanDerWaalsContact C-N 3.27Å; V26-S28 PolarHBondContact O-N 3.04Å
27E86.5Confident86.6Confident159 Ų15961.7 Ų61.774%0.74333%0.326SS*.Hα-helixtrans-64.1-28.8175.6-67.4177174.700113.1A23 I24 E29A23-E27 PolarHBondContact O-N 2.85Å; A23-E27 VanDerWaalsContact O-N 3.15Å; I24-E27 PolarHBondContact O-N 3.32Å; E27-E29 PolarHBondContact O-N 2.74Å; E27-E29 VanDerWaalsContact O-N 3.1Å
28S79Confident86.6Confident51 Ų5160.9 Ų60.936%0.35732%0.321SS..THydrogen-bonded Turntrans-71.7-0.8-176.476.30000115.9I24 A25 V26 N30 N33I24-S28 PolarHBondContact O-N 3.49Å; I24-S28 VanDerWaalsContact O-N 3.09Å; A25-S28 PolarHBondContact O-N 3Å; A25-S28 PolarHBondContact O-OG 3.46Å; V26-S28 VanDerWaalsContact C-N 3.27Å; V26-S28 PolarHBondContact O-N 3.04Å; S28-N30 PolarHBondContact O-N 2.93Å; S28-N33 WeakPolarHBondContact OG-CB 3.29Å; S28-N33 PolarHBondContact OG-ND2 3.42Å
29E75.2Confident86.5Confident166 Ų16662.5 Ų62.578%0.77633%0.328SS*.  trans52.8-17-171.2-65.9-162.8155.700117.1E27 D31 K34E27-E29 PolarHBondContact O-N 2.74Å; E27-E29 VanDerWaalsContact O-N 3.1Å; E29-D31 PolarHBondContact O-N 2.9Å; E29-K34 VanDerWaalsContact C-CE 3.42Å; E29-K34 WeakPolarHBondContact O-CE 3.48Å; E29-K34 PolarHBondContact O-NZ 3.44Å
30N82.7Confident86.4Confident59 Ų5961.4 Ų61.432%0.31632%0.324SS..  trans-77.9115.4-179.1-177.917.8000112.8S28 T32 N33 K34S28-N30 PolarHBondContact O-N 2.93Å; N30-T32 PolarHBondContact O-N 3.24Å; N30-T32 PolarHBondContact OD1-N 3.33Å; N30-T32 PolarHBondContact OD1-OG1 3.47Å; N30-N33 HydrophobicContact CB-CB 4.38Å; N30-N33 PolarHBondContact ND2-OD1 3.24Å; N30-N33 VanDerWaalsContact ND2-OD1 3.16Å; N30-N33 WeakPolarHBondContact O-CB 3.29Å; N30-N33 PolarHBondContact O-N 3.18Å; N30-N33 VanDerWaalsContact O-N 3.08Å; N30-K34 WeakPolarHBondContact O-CG 3.24Å; N30-K34 PolarHBondContact O-N 3Å
31D81.7Confident86.5Confident50 Ų5056.9 Ų56.927%0.26730%0.303SS..Hα-helixtrans-62.1-27.6-179.8-43.4-65.6000114E29 N33 K34 Q35 K82E29-D31 PolarHBondContact O-N 2.9Å; D31-N33 VanDerWaalsContact C-N 3.35Å; D31-K34 PolarHBondContact O-N 2.88Å; D31-K34 IonicContact OD1-NZ 3.61Å; D31-K34 PolarHBondContact OD1-NZ 3.21Å; D31-Q35 WeakPolarHBondContact O-CB 3.4Å; D31-Q35 PolarHBondContact O-N 3.45Å; D31-K82 IonicContact OD2-NZ 3.23Å; D31-K82 PolarHBondContact OD2-NZ 2.97Å
32T80.3Confident86.6Confident37 Ų3753.6 Ų53.623%0.22729%0.285CS..Hα-helixtrans-62.3-43.7174.1-50.60000110.7N30 Q35 D36 R90N30-T32 PolarHBondContact O-N 3.24Å; N30-T32 PolarHBondContact OD1-N 3.33Å; N30-T32 PolarHBondContact OD1-OG1 3.47Å; T32-Q35 WeakPolarHBondContact O-CB 3.49Å; T32-Q35 PolarHBondContact O-N 3.43Å; T32-D36 PolarHBondContact O-N 3.17Å; T32-R90 VanDerWaalsContact CG2-CZ 3.47Å; T32-R90 VanDerWaalsContact CG2-NH2 3.35Å
33N84.4Confident86.6Confident70 Ų7053.5 Ų53.537%0.37429%0.288SS..Hα-helixtrans-64.5-43.2174.6-62.7-7.4000111.1A25 S28 N30 D31 Q35 D36 A37A25-N33 HydrophobicContact CB-CB 4.16Å; A25-N33 WeakPolarHBondContact CB-O 3.18Å; S28-N33 WeakPolarHBondContact OG-CB 3.29Å; S28-N33 PolarHBondContact OG-ND2 3.42Å; N30-N33 HydrophobicContact CB-CB 4.38Å; N30-N33 PolarHBondContact ND2-OD1 3.24Å; N30-N33 VanDerWaalsContact ND2-OD1 3.16Å; N30-N33 WeakPolarHBondContact O-CB 3.29Å; N30-N33 PolarHBondContact O-N 3.18Å; N30-N33 VanDerWaalsContact O-N 3.08Å; D31-N33 VanDerWaalsContact C-N 3.35Å; N33-Q35 VanDerWaalsContact C-N 3.3Å; N33-Q35 PolarHBondContact O-N 3.17Å; N33-D36 PolarHBondContact O-N 3.42Å; N33-A37 WeakPolarHBondContact O-CB 3.43Å; N33-A37 PolarHBondContact O-N 2.99Å
34K87.5Confident86.6Confident41 Ų4151 Ų5118%0.17827%0.268CS..Hα-helixtrans-61-40.7178.2-60.3171-149.1159.60111.1A25 E29 N30 D31 E38 L78A25-K34 WeakPolarHBondContact O-CG 3.48Å; E29-K34 VanDerWaalsContact C-CE 3.42Å; E29-K34 WeakPolarHBondContact O-CE 3.48Å; E29-K34 PolarHBondContact O-NZ 3.44Å; N30-K34 WeakPolarHBondContact O-CG 3.24Å; N30-K34 PolarHBondContact O-N 3Å; D31-K34 PolarHBondContact O-N 2.88Å; D31-K34 IonicContact OD1-NZ 3.61Å; D31-K34 PolarHBondContact OD1-NZ 3.21Å; K34-E38 PolarHBondContact O-N 3.13Å; K34-E38 VanDerWaalsContact O-N 3.1Å; K34-L78 HydrophobicContact CB-CD1 3.75Å
35Q85.6Confident86.7Confident8 Ų847.4 Ų47.44%0.03725%0.247CC..Hα-helixtrans-64.5-51.7176-177.6-16817.900111D31 T32 N33 A37 E38 H39 A75 L78 C79D31-Q35 WeakPolarHBondContact O-CB 3.4Å; D31-Q35 PolarHBondContact O-N 3.45Å; T32-Q35 WeakPolarHBondContact O-CB 3.49Å; T32-Q35 PolarHBondContact O-N 3.43Å; N33-Q35 VanDerWaalsContact C-N 3.3Å; N33-Q35 PolarHBondContact O-N 3.17Å; Q35-A37 PolarHBondContact O-N 3.18Å; Q35-E38 PolarHBondContact O-N 2.98Å; Q35-H39 WeakPolarHBondContact O-CB 3.42Å; Q35-H39 PolarHBondContact O-N 2.75Å; Q35-A75 HydrophobicContact CG-CB 4.17Å; Q35-L78 HydrophobicContact CB-CB 4.11Å; Q35-L78 HydrophobicContact CB-CD1 4.35Å; Q35-C79 PolarHBondContact NE2-SG 3.43Å
36D85.4Confident86.8Confident68 Ų6847.9 Ų47.936%0.36425%0.248SC..Hα-helixtrans-62-33.7-178.3-72.9-25000111.7T32 N33 A40 R90T32-D36 PolarHBondContact O-N 3.17Å; N33-D36 PolarHBondContact O-N 3.42Å; D36-A40 VanDerWaalsContact O-CB 3.28Å; D36-A40 WeakPolarHBondContact O-CB 3.32Å; D36-A40 PolarHBondContact O-N 2.75Å; D36-R90 VanDerWaalsContact CG-NH1 3.3Å; D36-R90 IonicContact OD1-CZ 3.73Å; D36-R90 IonicContact OD1-NH1 3.82Å; D36-R90 PolarHBondContact OD1-NH1 3.42Å; D36-R90 IonicContact OD1-NH2 3.97Å; D36-R90 PolarHBondContact OD1-NH2 3.18Å; D36-R90 IonicContact OD2-CZ 2.69Å; D36-R90 IonicContact OD2-NH1 2.79Å; D36-R90 PolarHBondContact OD2-NH1 3.12Å; D36-R90 IonicContact OD2-NH2 2.78Å; D36-R90 PolarHBondContact OD2-NH2 3.32Å
37A90.4Very high86.8Confident1 Ų145.6 Ų45.61%0.00824%0.235CC..Hα-helixtrans-72.1-40.7174.400000113.8R22 A25 N33 Q35 L41R22-A37 HydrophobicContact CB-CB 4.02Å; R22-A37 HydrophobicContact CG-CB 4.35Å; A25-A37 HydrophobicContact CB-CB 3.68Å; N33-A37 WeakPolarHBondContact O-CB 3.43Å; N33-A37 PolarHBondContact O-N 2.99Å; Q35-A37 PolarHBondContact O-N 3.18Å; A37-L41 WeakPolarHBondContact O-CB 3.47Å; A37-L41 PolarHBondContact O-N 3.41Å
38E91.5Very high86.9Confident22 Ų2239.5 Ų39.510%0.10321%0.205CC..Hα-helixtrans-70.6-33.8173.8-75-76.3-162.400112.1R22 K34 Q35 L41 G42 S71 K74 A75R22-E38 WeakPolarHBondContact CD-OE1 3.35Å; R22-E38 HydrophobicContact CG-CG 4.45Å; R22-E38 IonicContact CZ-OE1 3.1Å; R22-E38 IonicContact NE-OE1 2.41Å; R22-E38 IonicContact NH1-OE1 2.87Å; R22-E38 PolarHBondContact NH1-OE1 2.87Å; R22-E38 IonicContact NH1-OE2 3.99Å; R22-E38 PolarHBondContact NH1-OE2 3.12Å; K34-E38 PolarHBondContact O-N 3.13Å; K34-E38 VanDerWaalsContact O-N 3.1Å; Q35-E38 PolarHBondContact O-N 2.98Å; E38-L41 PolarHBondContact O-N 3.32Å; E38-G42 PolarHBondContact O-N 3.44Å; E38-S71 WeakPolarHBondContact O-CB 3.31Å; E38-S71 PolarHBondContact OE2-OG 3.39Å; E38-K74 HydrophobicContact CG-CB 4.36Å; E38-K74 HydrophobicContact CG-CG 4.01Å; E38-A75 HydrophobicContact CB-CB 4.08Å
39H88.9Confident87.2Confident33 Ų3337.1 Ų37.115%0.15319%0.188CC..Hα-helixtrans-65.7-45.6173.3-173-127.2000111.3Q35 L41 G42 Q43 F72 A75Q35-H39 WeakPolarHBondContact O-CB 3.42Å; Q35-H39 PolarHBondContact O-N 2.75Å; H39-L41 VanDerWaalsContact C-N 3.35Å; H39-L41 PolarHBondContact O-N 3.37Å; H39-G42 PolarHBondContact O-N 2.99Å; H39-Q43 PolarHBondContact CE1-NE2 3.05Å; H39-Q43 VanDerWaalsContact CE1-NE2 3.34Å; H39-Q43 WeakPolarHBondContact O-CG 3.49Å; H39-Q43 PolarHBondContact O-N 3.46Å; H39-F72 AromaticContact CD2-CD1 3.74Å; H39-F72 AromaticContact CD2-CE1 3.55Å; H39-A75 HydrophobicContact CB-CB 4.36Å
40A90Very high87.3Confident23 Ų2331.9 Ų31.919%0.1917%0.165CC..Hα-helixtrans-62-39.1174.700000112.8D36 Q43 V44D36-A40 VanDerWaalsContact O-CB 3.28Å; D36-A40 WeakPolarHBondContact O-CB 3.32Å; D36-A40 PolarHBondContact O-N 2.75Å; A40-Q43 PolarHBondContact O-N 3.31Å; A40-V44 WeakPolarHBondContact O-CG2 3.44Å; A40-V44 PolarHBondContact O-N 3.08Å; A40-V44 VanDerWaalsContact O-N 3.1Å
41L92.8Very high87.1Confident1 Ų132.5 Ų32.51%0.00517%0.17CC..Hα-helixtrans-67.2-39.5175.1-177.761.3000112A18 T19 A37 E38 H39 V44 Y45A18-L41 HydrophobicContact CB-CB 4.21Å; A18-L41 HydrophobicContact CB-CD1 3.64Å; T19-L41 HydrophobicContact CG2-CD1 3.86Å; T19-L41 HydrophobicContact CG2-CD2 4.03Å; A37-L41 WeakPolarHBondContact O-CB 3.47Å; A37-L41 PolarHBondContact O-N 3.41Å; E38-L41 PolarHBondContact O-N 3.32Å; H39-L41 VanDerWaalsContact C-N 3.35Å; H39-L41 PolarHBondContact O-N 3.37Å; L41-V44 PolarHBondContact O-N 2.77Å; L41-Y45 HydrophobicContact CD1-CD2 4.14Å; L41-Y45 HydrophobicContact CD1-CE2 3.51Å; L41-Y45 HydrophobicContact CD2-CE2 4.3Å; L41-Y45 HydrophobicContact CG-CD2 4.12Å; L41-Y45 HydrophobicContact CG-CE2 3.69Å; L41-Y45 VanDerWaalsContact O-CD2 3.27Å; L41-Y45 WeakPolarHBondContact O-CD2 3.43Å; L41-Y45 PolarHBondContact O-N 3.08Å
42G91.5Very high86.6Confident0 Ų031 Ų310%016%0.162CC..Hα-helixtrans-60.4-44172.400000112.3E38 H39 Y45 M46 A68E38-G42 PolarHBondContact O-N 3.44Å; H39-G42 PolarHBondContact O-N 2.99Å; G42-Y45 PolarHBondContact O-N 3.47Å; G42-M46 WeakPolarHBondContact O-CB 3.22Å; G42-M46 PolarHBondContact O-N 3.32Å; G42-A68 WeakPolarHBondContact O-CB 3.23Å
43Q90Very high85.4Confident77 Ų7733.8 Ų33.836%0.3618%0.179SC..Hα-helixtrans-60.6-44.5175.9-75.3-176.9-14.700112.6H39 A40 Y45 M46 T47 F72H39-Q43 PolarHBondContact CE1-NE2 3.05Å; H39-Q43 VanDerWaalsContact CE1-NE2 3.34Å; H39-Q43 WeakPolarHBondContact O-CG 3.49Å; H39-Q43 PolarHBondContact O-N 3.46Å; A40-Q43 PolarHBondContact O-N 3.31Å; Q43-Y45 VanDerWaalsContact C-N 3.34Å; Q43-Y45 PolarHBondContact O-N 3.07Å; Q43-M46 PolarHBondContact O-N 3.12Å; Q43-T47 PolarHBondContact O-N 3.38Å; Q43-T47 PolarHBondContact O-OG1 3.25Å; Q43-F72 HydrophobicContact CG-CE1 4.22Å; Q43-F72 HydrophobicContact CG-CZ 4.23Å
44V91.5Very high83.8Confident1 Ų139.4 Ų39.41%0.00620%0.203CC..Hα-helixtrans-56.5-48.3175.9171.30000111.1L2 I6 A14 A15 A18 A40 L41 W48L2-V44 HydrophobicContact CD2-CG2 4.47Å; I6-V44 HydrophobicContact CD1-CG2 3.99Å; I6-V44 HydrophobicContact CG1-CG2 4.33Å; A14-V44 HydrophobicContact CB-CG1 3.87Å; A14-V44 HydrophobicContact CB-CG2 4.18Å; A15-V44 HydrophobicContact CB-CG1 4.11Å; A18-V44 HydrophobicContact CB-CG2 4.23Å; A40-V44 WeakPolarHBondContact O-CG2 3.44Å; A40-V44 PolarHBondContact O-N 3.08Å; A40-V44 VanDerWaalsContact O-N 3.1Å; L41-V44 PolarHBondContact O-N 2.77Å; V44-W48 WeakPolarHBondContact O-CB 3.19Å; V44-W48 PolarHBondContact O-N 3.47Å
45Y91.7Very high81.9Confident30 Ų3041 Ų4112%0.11822%0.216CC..Hα-helixtrans-69.5-31.7179.2-68.6-48.9000113.3A15 L41 G42 Q43 W48 A49 Y64 K67A15-Y45 HydrophobicContact CB-CE1 4.07Å; L41-Y45 HydrophobicContact CD1-CD2 4.14Å; L41-Y45 HydrophobicContact CD1-CE2 3.51Å; L41-Y45 HydrophobicContact CD2-CE2 4.3Å; L41-Y45 HydrophobicContact CG-CD2 4.12Å; L41-Y45 HydrophobicContact CG-CE2 3.69Å; L41-Y45 VanDerWaalsContact O-CD2 3.27Å; L41-Y45 WeakPolarHBondContact O-CD2 3.43Å; L41-Y45 PolarHBondContact O-N 3.08Å; G42-Y45 PolarHBondContact O-N 3.47Å; Q43-Y45 VanDerWaalsContact C-N 3.34Å; Q43-Y45 PolarHBondContact O-N 3.07Å; Y45-W48 HydrophobicContact CD1-CE3 4.06Å; Y45-W48 HydrophobicContact CD1-CZ3 4.49Å; Y45-W48 HydrophobicContact CE1-CE3 4.31Å; Y45-W48 HydrophobicContact CE1-CZ3 4.29Å; Y45-A49 WeakPolarHBondContact O-CB 3.44Å; Y45-A49 PolarHBondContact O-N 3.32Å; Y45-Y64 AromaticContact CD1-CD1 3.73Å; Y45-Y64 HydrophobicContact CD1-CD1 3.73Å; Y45-Y64 HydrophobicContact CD1-CE1 4.3Å; Y45-Y64 HydrophobicContact CE1-CD1 4.2Å; Y45-Y64 HydrophobicContact CE1-CE1 4.37Å; Y45-K67 HydrophobicContact CD1-CB 4.18Å; Y45-K67 HydrophobicContact CD1-CD 3.94Å; Y45-K67 HydrophobicContact CD2-CB 3.65Å; Y45-K67 HydrophobicContact CE1-CB 4.5Å; Y45-K67 HydrophobicContact CE1-CD 3.73Å; Y45-K67 HydrophobicContact CE2-CB 3.99Å; Y45-K67 HydrophobicContact CE2-CD 4.36Å; Y45-K67 HydrophobicContact CG-CB 3.73Å; Y45-K67 HydrophobicContact CG-CD 4.35Å
46M89Confident80.2Confident17 Ų1747.8 Ų47.88%0.08424%0.241CC..Hα-helixtrans-66.9-49.6174.9-174.4176.781.700111.3G42 Q43 W48 A49 M50 A68 F72 N97 L101G42-M46 WeakPolarHBondContact O-CB 3.22Å; G42-M46 PolarHBondContact O-N 3.32Å; Q43-M46 PolarHBondContact O-N 3.12Å; M46-W48 VanDerWaalsContact C-N 3.31Å; M46-W48 PolarHBondContact O-N 3.23Å; M46-A49 WeakPolarHBondContact O-CB 3.37Å; M46-A49 PolarHBondContact O-N 3.2Å; M46-A49 VanDerWaalsContact O-N 3.15Å; M46-M50 HydrophobicContact CE-CE 3.83Å; M46-M50 HydrophobicContact CE-SD 4.22Å; M46-M50 HydrophobicContact CG-CE 3.61Å; M46-M50 HydrophobicContact CG-SD 3.9Å; M46-M50 VanDerWaalsContact O-CG 3.32Å; M46-M50 WeakPolarHBondContact O-CG 3.4Å; M46-M50 PolarHBondContact O-N 2.94Å; M46-M50 HydrophobicContact SD-CE 3.78Å; M46-A68 HydrophobicContact CB-CB 4.11Å; M46-F72 HydrophobicContact CB-CE2 4.26Å; M46-F72 HydrophobicContact CB-CZ 4.38Å; M46-F72 HydrophobicContact SD-CE2 4.12Å; M46-F72 HydrophobicContact SD-CZ 4.36Å; M46-N97 WeakPolarHBondContact CE-OD1 3.22Å; M46-N97 HydrophobicContact SD-CB 4.22Å; M46-L101 HydrophobicContact CB-CD2 4.34Å; M46-L101 HydrophobicContact CG-CD2 3.78Å; M46-L101 HydrophobicContact CG-CG 4.45Å; M46-L101 HydrophobicContact SD-CD2 4.3Å; M46-L101 HydrophobicContact SD-CG 4.36Å
47T86.9Confident79Confident43 Ų4346.8 Ų46.826%0.26424%0.236SC..Hα-helixtrans-64.9-35.7178.4-50.40000112I6 F11 Q43 M50 T51I6-T47 HydrophobicContact CG2-CG2 3.89Å; F11-T47 HydrophobicContact CE1-CG2 3.89Å; F11-T47 HydrophobicContact CZ-CG2 4.24Å; Q43-T47 PolarHBondContact O-N 3.38Å; Q43-T47 PolarHBondContact O-OG1 3.25Å; T47-M50 PolarHBondContact O-N 3.18Å; T47-T51 PolarHBondContact O-N 2.88Å; T47-T51 PolarHBondContact O-OG1 3.28Å
48W88.9Confident77.7Confident31 Ų3151.2 Ų51.212%0.11726%0.255CS..Hα-helixtrans-61.4-46.5171.4-165.9-3.2000111.2F11 E12 A15 V44 Y45 M46 M50 T51 L52 Y64F11-W48 HydrophobicContact CB-CB 4.02Å; F11-W48 HydrophobicContact CB-CD2 3.36Å; F11-W48 HydrophobicContact CB-CE3 3.61Å; F11-W48 HydrophobicContact CB-CG 3.56Å; F11-W48 HydrophobicContact CB-CH2 4.49Å; F11-W48 HydrophobicContact CB-CZ2 4.3Å; F11-W48 HydrophobicContact CB-CZ3 4.17Å; F11-W48 HydrophobicContact CD1-CB 3.81Å; F11-W48 HydrophobicContact CD1-CG 4.22Å; F11-W48 HydrophobicContact CD2-CB 4.33Å; F11-W48 AromaticContact CD2-CD1 3.76Å; F11-W48 HydrophobicContact CD2-CG 4.01Å; F11-W48 HydrophobicContact CE1-CB 4.4Å; F11-W48 HydrophobicContact CG-CB 3.78Å; F11-W48 AromaticContact CG-CD1 3.9Å; F11-W48 HydrophobicContact CG-CD2 4.05Å; F11-W48 AromaticContact CG-CG 3.66Å; F11-W48 HydrophobicContact CG-CG 3.66Å; E12-W48 HydrophobicContact CG-CH2 3.9Å; E12-W48 HydrophobicContact CG-CZ2 4.22Å; A15-W48 HydrophobicContact CB-CZ3 4.21Å; V44-W48 WeakPolarHBondContact O-CB 3.19Å; V44-W48 PolarHBondContact O-N 3.47Å; Y45-W48 HydrophobicContact CD1-CE3 4.06Å; Y45-W48 HydrophobicContact CD1-CZ3 4.49Å; Y45-W48 HydrophobicContact CE1-CE3 4.31Å; Y45-W48 HydrophobicContact CE1-CZ3 4.29Å; M46-W48 VanDerWaalsContact C-N 3.31Å; M46-W48 PolarHBondContact O-N 3.23Å; W48-M50 VanDerWaalsContact C-N 3.29Å; W48-M50 PolarHBondContact O-N 2.98Å; W48-T51 PolarHBondContact O-N 3.37Å; W48-T51 PolarHBondContact O-OG1 3.12Å; W48-L52 WeakPolarHBondContact O-CD1 3.3Å; W48-L52 VanDerWaalsContact O-CG 3.29Å; W48-L52 WeakPolarHBondContact O-CG 3.25Å; W48-L52 PolarHBondContact O-N 3.21Å; W48-L52 VanDerWaalsContact O-N 3.14Å; W48-Y64 AromaticContact CD2-CD1 3.94Å; W48-Y64 HydrophobicContact CD2-CD1 3.94Å; W48-Y64 HydrophobicContact CD2-CD2 4.16Å; W48-Y64 AromaticContact CD2-CE1 3.77Å; W48-Y64 HydrophobicContact CD2-CE1 3.77Å; W48-Y64 AromaticContact CD2-CE2 3.94Å; W48-Y64 HydrophobicContact CD2-CE2 3.94Å; W48-Y64 HydrophobicContact CD2-CG 4.18Å; W48-Y64 AromaticContact CD2-CZ 3.83Å; W48-Y64 AromaticContact CE2-CE1 3.98Å; W48-Y64 AromaticContact CE2-CE2 3.61Å; W48-Y64 AromaticContact CE2-CZ 3.55Å; W48-Y64 AromaticContact CE3-CD1 3.73Å; W48-Y64 HydrophobicContact CE3-CD1 3.73Å; W48-Y64 AromaticContact CE3-CE1 3.46Å; W48-Y64 HydrophobicContact CE3-CE1 3.46Å; W48-Y64 VanDerWaalsContact CE3-CE1 3.46Å; W48-Y64 HydrophobicContact CE3-CE2 4.48Å; W48-Y64 HydrophobicContact CE3-CG 4.42Å; W48-Y64 AromaticContact CE3-CZ 3.94Å; W48-Y64 HydrophobicContact CG-CD1 4.48Å; W48-Y64 HydrophobicContact CG-CD2 4.25Å; W48-Y64 HydrophobicContact CG-CE2 4.4Å; W48-Y64 HydrophobicContact CG-CG 4.31Å; W48-Y64 AromaticContact CH2-CE1 3.65Å; W48-Y64 HydrophobicContact CH2-CE1 3.65Å; W48-Y64 HydrophobicContact CH2-CE2 4.42Å; W48-Y64 AromaticContact CH2-CZ 3.54Å; W48-Y64 WeakPolarHBondContact CH2-OH 3.41Å; W48-Y64 AromaticContact CZ2-CE1 3.94Å; W48-Y64 HydrophobicContact CZ2-CE1 3.94Å; W48-Y64 AromaticContact CZ2-CE2 3.88Å; W48-Y64 HydrophobicContact CZ2-CE2 3.88Å; W48-Y64 AromaticContact CZ2-CZ 3.41Å; W48-Y64 VanDerWaalsContact CZ2-CZ 3.41Å; W48-Y64 VanDerWaalsContact CZ2-OH 3.27Å; W48-Y64 WeakPolarHBondContact CZ2-OH 3.38Å; W48-Y64 HydrophobicContact CZ3-CD1 4.14Å; W48-Y64 AromaticContact CZ3-CE1 3.41Å; W48-Y64 HydrophobicContact CZ3-CE1 3.41Å; W48-Y64 VanDerWaalsContact CZ3-CE1 3.41Å; W48-Y64 AromaticContact CZ3-CZ 3.81Å; W48-Y64 AromaticContact NE1-CE2 3.84Å
49A85.1Confident76.6Confident1 Ų157.7 Ų57.71%0.00829%0.285CS..Hα-helixtrans-63.6-31.4175.700000113.9Y45 M46 K61 V65Y45-A49 WeakPolarHBondContact O-CB 3.44Å; Y45-A49 PolarHBondContact O-N 3.32Å; M46-A49 WeakPolarHBondContact O-CB 3.37Å; M46-A49 PolarHBondContact O-N 3.2Å; M46-A49 VanDerWaalsContact O-N 3.15Å; A49-K61 HydrophobicContact CB-CG 4.45Å; A49-K61 VanDerWaalsContact O-CE 3.26Å; A49-K61 WeakPolarHBondContact O-CE 3.2Å; A49-K61 WeakPolarHBondContact O-CG 3.5Å; A49-V65 HydrophobicContact CB-CG2 3.76Å
50M78.6Confident75.9Confident57 Ų5758.5 Ų58.528%0.28129%0.289SS..Hα-helixtrans-71.9-42.5175.5-72.1163.8166.600112M46 T47 W48 L52 V53 I100M46-M50 HydrophobicContact CE-CE 3.83Å; M46-M50 HydrophobicContact CE-SD 4.22Å; M46-M50 HydrophobicContact CG-CE 3.61Å; M46-M50 HydrophobicContact CG-SD 3.9Å; M46-M50 VanDerWaalsContact O-CG 3.32Å; M46-M50 WeakPolarHBondContact O-CG 3.4Å; M46-M50 PolarHBondContact O-N 2.94Å; M46-M50 HydrophobicContact SD-CE 3.78Å; T47-M50 PolarHBondContact O-N 3.18Å; W48-M50 VanDerWaalsContact C-N 3.29Å; W48-M50 PolarHBondContact O-N 2.98Å; M50-L52 VanDerWaalsContact C-N 3.3Å; M50-L52 PolarHBondContact O-N 3.22Å; M50-V53 WeakPolarHBondContact O-CB 3.42Å; M50-V53 WeakPolarHBondContact O-CG2 3.29Å; M50-V53 PolarHBondContact O-N 3.04Å; M50-I100 HydrophobicContact CE-CG2 3.42Å; M50-I100 VanDerWaalsContact CE-CG2 3.42Å
51T77.7Confident75.2Confident71 Ų7159.6 Ų59.644%0.43629%0.29SS..Hα-helixtrans-70.4-23.2177.747.70000113.7F11 T47 W48 V53F11-T51 HydrophobicContact CE2-CG2 4.1Å; F11-T51 WeakPolarHBondContact CE2-OG1 3.27Å; F11-T51 HydrophobicContact CZ-CG2 3.77Å; F11-T51 WeakPolarHBondContact CZ-OG1 3.2Å; T47-T51 PolarHBondContact O-N 2.88Å; T47-T51 PolarHBondContact O-OG1 3.28Å; W48-T51 PolarHBondContact O-N 3.37Å; W48-T51 PolarHBondContact O-OG1 3.12Å; T51-V53 PolarHBondContact O-N 3Å; T51-V53 VanDerWaalsContact O-N 3.09Å
52L71.5Confident74.4Confident19 Ų1965.1 Ų65.110%0.09931%0.314CS..G310 helixtrans-70.64.8174-73.1165.1000114.8W48 M50 E54 V55 E60 K61 Y64W48-L52 WeakPolarHBondContact O-CD1 3.3Å; W48-L52 VanDerWaalsContact O-CG 3.29Å; W48-L52 WeakPolarHBondContact O-CG 3.25Å; W48-L52 PolarHBondContact O-N 3.21Å; W48-L52 VanDerWaalsContact O-N 3.14Å; M50-L52 VanDerWaalsContact C-N 3.3Å; M50-L52 PolarHBondContact O-N 3.22Å; L52-E54 PolarHBondContact O-N 2.82Å; L52-V55 HydrophobicContact CD2-CB 4.35Å; L52-V55 HydrophobicContact CD2-CG2 3.82Å; L52-V55 PolarHBondContact O-N 2.96Å; L52-V55 VanDerWaalsContact O-N 3.1Å; L52-E60 HydrophobicContact CD1-CG 3.89Å; L52-K61 HydrophobicContact CB-CB 4.39Å; L52-Y64 HydrophobicContact CD1-CD2 3.42Å; L52-Y64 VanDerWaalsContact CD1-CD2 3.42Å; L52-Y64 HydrophobicContact CD1-CE2 3.86Å; L52-Y64 HydrophobicContact CD1-CG 4.49Å
53V54.3Low74.1Confident95 Ų9569.6 Ų69.658%0.57633%0.333SS*.G310 helixtrans-58.5-29.9174.7163.30000113.1M50 T51 V55 K61M50-V53 WeakPolarHBondContact O-CB 3.42Å; M50-V53 WeakPolarHBondContact O-CG2 3.29Å; M50-V53 PolarHBondContact O-N 3.04Å; T51-V53 PolarHBondContact O-N 3Å; T51-V53 VanDerWaalsContact O-N 3.09Å; V53-V55 VanDerWaalsContact C-N 3.28Å; V53-V55 PolarHBondContact O-N 3.1Å; V53-K61 VanDerWaalsContact CG2-NZ 3.25Å
54E50.4Low73.9Confident189 Ų18966.5 Ų66.588%0.88332%0.318SS*.G310 helixtrans-77.3-10.1177.5-60.5-170154.600114L52L52-E54 PolarHBondContact O-N 2.82Å
55V47.3Very low73.5Confident74 Ų7466.7 Ų66.745%0.44832%0.319SS..SBendtrans-100136.9-173.2-167.20000110.4L52 V53 D57L52-V55 HydrophobicContact CD2-CB 4.35Å; L52-V55 HydrophobicContact CD2-CG2 3.82Å; L52-V55 PolarHBondContact O-N 2.96Å; L52-V55 VanDerWaalsContact O-N 3.1Å; V53-V55 VanDerWaalsContact C-N 3.28Å; V53-V55 PolarHBondContact O-N 3.1Å; V55-D57 HydrophobicContact CG1-CB 3.86Å; V55-D57 PolarHBondContact O-N 2.9Å
56R51.4Low73.1Confident150 Ų15070.9 Ų70.957%0.56634%0.34SS*.SBendtrans-60.1-6.4173.5-70.6-176.8173.2-122.4-2.1114K58 D327R56-K58 PolarHBondContact O-N 3.18Å; R56-D327 IonicContact CZ-OD1 2.91Å; R56-D327 VanDerWaalsContact CZ-OD1 3.24Å; R56-D327 IonicContact NH1-OD1 3.31Å; R56-D327 PolarHBondContact NH1-OD1 2.84Å; R56-D327 IonicContact NH2-OD1 2.7Å; R56-D327 PolarHBondContact NH2-OD1 3.16Å
57D60Low73.2Confident48 Ų4873.6 Ų73.626%0.25735%0.351SS..  trans-89.779.3-171.5-157.2-31000112.7V55 E59 E60 K61V55-D57 HydrophobicContact CG1-CB 3.86Å; V55-D57 PolarHBondContact O-N 2.9Å; D57-E59 PolarHBondContact O-N 3.09Å; D57-E59 PolarHBondContact OD1-N 3.26Å; D57-E60 HydrophobicContact CB-CB 3.98Å; D57-E60 VanDerWaalsContact CG-CB 3.46Å; D57-E60 PolarHBondContact O-N 3.25Å; D57-E60 WeakPolarHBondContact OD1-CB 3.42Å; D57-E60 PolarHBondContact OD1-N 3.25Å; D57-K61 PolarHBondContact O-N 3.15Å
58K62.8Low73.3Confident94 Ų9471.5 Ų71.541%0.40934%0.339SS..Hα-helixtrans-62.3-29173.7-68.3176.6178.7173.50112.8R56 K62 E295 Y297R56-K58 PolarHBondContact O-N 3.18Å; K58-K62 WeakPolarHBondContact O-CB 3.45Å; K58-K62 PolarHBondContact O-N 2.85Å; K58-E295 IonicContact NZ-OE1 2.7Å; K58-Y297 VanDerWaalsContact NZ-CZ 3.32Å; K58-Y297 PolarHBondContact NZ-OH 2.98Å
59E68.4Low73.1Confident157 Ų15773.7 Ų73.773%0.73435%0.349SS*.Hα-helixtrans-70-43176.8-64-147.7136.300110.6D57 K62 K63D57-E59 PolarHBondContact O-N 3.09Å; D57-E59 PolarHBondContact OD1-N 3.26Å; E59-K62 PolarHBondContact O-N 2.89Å; E59-K63 WeakPolarHBondContact O-CB 3.46Å; E59-K63 PolarHBondContact O-N 3.36Å
60E73.6Confident73.4Confident50 Ų5081.4 Ų81.423%0.23438%0.382CS..Hα-helixtrans-65.4-43.7175.8-179.6141.8-108.900112.1L52 D57 K62 K63 Y64L52-E60 HydrophobicContact CD1-CG 3.89Å; D57-E60 HydrophobicContact CB-CB 3.98Å; D57-E60 VanDerWaalsContact CG-CB 3.46Å; D57-E60 PolarHBondContact O-N 3.25Å; D57-E60 WeakPolarHBondContact OD1-CB 3.42Å; D57-E60 PolarHBondContact OD1-N 3.25Å; E60-K62 PolarHBondContact O-N 3.2Å; E60-K63 HydrophobicContact CG-CD 4.34Å; E60-K63 WeakPolarHBondContact O-CB 3.2Å; E60-K63 PolarHBondContact O-N 3.25Å; E60-K63 IonicContact OE1-NZ 3.89Å; E60-K63 PolarHBondContact OE1-NZ 2.88Å; E60-Y64 HydrophobicContact CG-CD2 3.73Å; E60-Y64 HydrophobicContact CG-CE2 3.32Å; E60-Y64 WeakPolarHBondContact O-CD2 3.36Å; E60-Y64 PolarHBondContact O-N 3.03Å; E60-Y64 VanDerWaalsContact OE1-CE2 3.3Å; E60-Y64 WeakPolarHBondContact OE1-CE2 3.41Å; E60-Y64 PolarHBondContact OE1-OH 3.49Å
61K75.4Confident73.9Confident47 Ų4779 Ų7920%0.20437%0.372CS..Hα-helixtrans-56.7-48.6171.7-178169.8-179-179.40111.4A49 L52 V53 D57 K63 Y64 V65A49-K61 HydrophobicContact CB-CG 4.45Å; A49-K61 VanDerWaalsContact O-CE 3.26Å; A49-K61 WeakPolarHBondContact O-CE 3.2Å; A49-K61 WeakPolarHBondContact O-CG 3.5Å; L52-K61 HydrophobicContact CB-CB 4.39Å; V53-K61 VanDerWaalsContact CG2-NZ 3.25Å; D57-K61 PolarHBondContact O-N 3.15Å; K61-K63 PolarHBondContact O-N 3.35Å; K61-Y64 PolarHBondContact O-N 3.49Å; K61-V65 WeakPolarHBondContact O-CG2 3.17Å; K61-V65 PolarHBondContact O-N 3.19Å
62K76.2Confident74.5Confident117 Ų11775.7 Ų75.751%0.50935%0.351SS..Hα-helixtrans-61.7-40.1178.7-175.2176.8-178.4178.70112.6K58 E59 E60 V65 Q66K58-K62 WeakPolarHBondContact O-CB 3.45Å; K58-K62 PolarHBondContact O-N 2.85Å; E59-K62 PolarHBondContact O-N 2.89Å; E60-K62 PolarHBondContact O-N 3.2Å; K62-V65 PolarHBondContact O-N 3.5Å; K62-Q66 WeakPolarHBondContact O-CB 3.38Å; K62-Q66 VanDerWaalsContact O-CG 3.29Å; K62-Q66 WeakPolarHBondContact O-CG 3.23Å; K62-Q66 PolarHBondContact O-N 2.79Å
63K84.7Confident75.1Confident93 Ų9376.9 Ų76.940%0.40436%0.361SS..Hα-helixtrans-59-41.8174159.5-162.4177.7-169.40112E59 E60 K61 K67E59-K63 WeakPolarHBondContact O-CB 3.46Å; E59-K63 PolarHBondContact O-N 3.36Å; E60-K63 HydrophobicContact CG-CD 4.34Å; E60-K63 WeakPolarHBondContact O-CB 3.2Å; E60-K63 PolarHBondContact O-N 3.25Å; E60-K63 IonicContact OE1-NZ 3.89Å; E60-K63 PolarHBondContact OE1-NZ 2.88Å; K61-K63 PolarHBondContact O-N 3.35Å; K63-K67 WeakPolarHBondContact O-CG 3.29Å; K63-K67 PolarHBondContact O-N 3.05Å
64Y86.4Confident76.7Confident13 Ų1376.9 Ų76.95%0.05135%0.353CS..Hα-helixtrans-78.1-36.1175.6-67.1-64000113.3Y45 W48 L52 E60 K61 Q66 K67 A68Y45-Y64 AromaticContact CD1-CD1 3.73Å; Y45-Y64 HydrophobicContact CD1-CD1 3.73Å; Y45-Y64 HydrophobicContact CD1-CE1 4.3Å; Y45-Y64 HydrophobicContact CE1-CD1 4.2Å; Y45-Y64 HydrophobicContact CE1-CE1 4.37Å; W48-Y64 AromaticContact CD2-CD1 3.94Å; W48-Y64 HydrophobicContact CD2-CD1 3.94Å; W48-Y64 HydrophobicContact CD2-CD2 4.16Å; W48-Y64 AromaticContact CD2-CE1 3.77Å; W48-Y64 HydrophobicContact CD2-CE1 3.77Å; W48-Y64 AromaticContact CD2-CE2 3.94Å; W48-Y64 HydrophobicContact CD2-CE2 3.94Å; W48-Y64 HydrophobicContact CD2-CG 4.18Å; W48-Y64 AromaticContact CD2-CZ 3.83Å; W48-Y64 AromaticContact CE2-CE1 3.98Å; W48-Y64 AromaticContact CE2-CE2 3.61Å; W48-Y64 AromaticContact CE2-CZ 3.55Å; W48-Y64 AromaticContact CE3-CD1 3.73Å; W48-Y64 HydrophobicContact CE3-CD1 3.73Å; W48-Y64 AromaticContact CE3-CE1 3.46Å; W48-Y64 HydrophobicContact CE3-CE1 3.46Å; W48-Y64 VanDerWaalsContact CE3-CE1 3.46Å; W48-Y64 HydrophobicContact CE3-CE2 4.48Å; W48-Y64 HydrophobicContact CE3-CG 4.42Å; W48-Y64 AromaticContact CE3-CZ 3.94Å; W48-Y64 HydrophobicContact CG-CD1 4.48Å; W48-Y64 HydrophobicContact CG-CD2 4.25Å; W48-Y64 HydrophobicContact CG-CE2 4.4Å; W48-Y64 HydrophobicContact CG-CG 4.31Å; W48-Y64 AromaticContact CH2-CE1 3.65Å; W48-Y64 HydrophobicContact CH2-CE1 3.65Å; W48-Y64 HydrophobicContact CH2-CE2 4.42Å; W48-Y64 AromaticContact CH2-CZ 3.54Å; W48-Y64 WeakPolarHBondContact CH2-OH 3.41Å; W48-Y64 AromaticContact CZ2-CE1 3.94Å; W48-Y64 HydrophobicContact CZ2-CE1 3.94Å; W48-Y64 AromaticContact CZ2-CE2 3.88Å; W48-Y64 HydrophobicContact CZ2-CE2 3.88Å; W48-Y64 AromaticContact CZ2-CZ 3.41Å; W48-Y64 VanDerWaalsContact CZ2-CZ 3.41Å; W48-Y64 VanDerWaalsContact CZ2-OH 3.27Å; W48-Y64 WeakPolarHBondContact CZ2-OH 3.38Å; W48-Y64 HydrophobicContact CZ3-CD1 4.14Å; W48-Y64 AromaticContact CZ3-CE1 3.41Å; W48-Y64 HydrophobicContact CZ3-CE1 3.41Å; W48-Y64 VanDerWaalsContact CZ3-CE1 3.41Å; W48-Y64 AromaticContact CZ3-CZ 3.81Å; W48-Y64 AromaticContact NE1-CE2 3.84Å; L52-Y64 HydrophobicContact CD1-CD2 3.42Å; L52-Y64 VanDerWaalsContact CD1-CD2 3.42Å; L52-Y64 HydrophobicContact CD1-CE2 3.86Å; L52-Y64 HydrophobicContact CD1-CG 4.49Å; E60-Y64 HydrophobicContact CG-CD2 3.73Å; E60-Y64 HydrophobicContact CG-CE2 3.32Å; E60-Y64 WeakPolarHBondContact O-CD2 3.36Å; E60-Y64 PolarHBondContact O-N 3.03Å; E60-Y64 VanDerWaalsContact OE1-CE2 3.3Å; E60-Y64 WeakPolarHBondContact OE1-CE2 3.41Å; E60-Y64 PolarHBondContact OE1-OH 3.49Å; K61-Y64 PolarHBondContact O-N 3.49Å; Y64-Q66 VanDerWaalsContact C-N 3.32Å; Y64-Q66 PolarHBondContact O-N 3Å; Y64-K67 HydrophobicContact CD1-CD 3.69Å; Y64-K67 HydrophobicContact CE1-CD 4.03Å; Y64-K67 VanDerWaalsContact CE1-NZ 3.29Å; Y64-K67 PolarHBondContact O-N 3.39Å; Y64-A68 WeakPolarHBondContact O-CB 3.4Å; Y64-A68 PolarHBondContact O-N 3Å
65V83Confident78.5Confident4 Ų467.9 Ų67.92%0.02431%0.311CS..Hα-helixtrans-55.4-46.7168.6165.90000111.3A49 K61 K62 K67 A68 F69 L101 L105A49-V65 HydrophobicContact CB-CG2 3.76Å; K61-V65 WeakPolarHBondContact O-CG2 3.17Å; K61-V65 PolarHBondContact O-N 3.19Å; K62-V65 PolarHBondContact O-N 3.5Å; V65-K67 PolarHBondContact O-N 3.06Å; V65-A68 PolarHBondContact O-N 3.39Å; V65-F69 WeakPolarHBondContact O-CB 3.48Å; V65-F69 PolarHBondContact O-N 2.89Å; V65-L101 HydrophobicContact CB-CD2 4.42Å; V65-L101 HydrophobicContact CG1-CB 4.46Å; V65-L101 HydrophobicContact CG1-CD2 4.13Å; V65-L101 HydrophobicContact CG2-CD2 4.17Å; V65-L105 HydrophobicContact CG1-CD1 3.78Å; V65-L105 HydrophobicContact CG1-CD2 3.78Å; V65-L105 HydrophobicContact CG1-CG 3.76Å
66Q84.3Confident80.2Confident118 Ų11867.4 Ų67.455%0.55131%0.305SS*.Hα-helixtrans-64.8-36.1178.1-74.9176.2-13.500113K62 Y64 K70K62-Q66 WeakPolarHBondContact O-CB 3.38Å; K62-Q66 VanDerWaalsContact O-CG 3.29Å; K62-Q66 WeakPolarHBondContact O-CG 3.23Å; K62-Q66 PolarHBondContact O-N 2.79Å; Y64-Q66 VanDerWaalsContact C-N 3.32Å; Y64-Q66 PolarHBondContact O-N 3Å; Q66-K70 WeakPolarHBondContact O-CB 3.48Å; Q66-K70 PolarHBondContact O-N 3.04Å
67K90.4Very high81.8Confident74 Ų7463.3 Ų63.332%0.32230%0.299SS..Hα-helixtrans-65.2-45.4172.2-75.2170.5170.5-173.80111.7Y45 K63 Y64 V65 K70 S71Y45-K67 HydrophobicContact CD1-CB 4.18Å; Y45-K67 HydrophobicContact CD1-CD 3.94Å; Y45-K67 HydrophobicContact CD2-CB 3.65Å; Y45-K67 HydrophobicContact CE1-CB 4.5Å; Y45-K67 HydrophobicContact CE1-CD 3.73Å; Y45-K67 HydrophobicContact CE2-CB 3.99Å; Y45-K67 HydrophobicContact CE2-CD 4.36Å; Y45-K67 HydrophobicContact CG-CB 3.73Å; Y45-K67 HydrophobicContact CG-CD 4.35Å; K63-K67 WeakPolarHBondContact O-CG 3.29Å; K63-K67 PolarHBondContact O-N 3.05Å; Y64-K67 HydrophobicContact CD1-CD 3.69Å; Y64-K67 HydrophobicContact CE1-CD 4.03Å; Y64-K67 VanDerWaalsContact CE1-NZ 3.29Å; Y64-K67 PolarHBondContact O-N 3.39Å; V65-K67 PolarHBondContact O-N 3.06Å; K67-K70 PolarHBondContact O-N 3.02Å; K67-S71 PolarHBondContact O-N 3.29Å; K67-S71 VanDerWaalsContact O-N 3.08Å
68A89.4Confident82.9Confident0 Ų062.7 Ų62.70%030%0.296CS..Hα-helixtrans-60-51.2177.400000111.2G42 M46 Y64 V65 K70 S71 F72 L101G42-A68 WeakPolarHBondContact O-CB 3.23Å; M46-A68 HydrophobicContact CB-CB 4.11Å; Y64-A68 WeakPolarHBondContact O-CB 3.4Å; Y64-A68 PolarHBondContact O-N 3Å; V65-A68 PolarHBondContact O-N 3.39Å; A68-K70 VanDerWaalsContact C-N 3.34Å; A68-K70 PolarHBondContact O-N 2.93Å; A68-S71 PolarHBondContact O-N 3.09Å; A68-F72 HydrophobicContact CB-CD2 4.45Å; A68-F72 HydrophobicContact CB-CE2 4.15Å; A68-F72 VanDerWaalsContact O-CD2 3.25Å; A68-F72 WeakPolarHBondContact O-CD2 3.39Å; A68-F72 WeakPolarHBondContact O-CG 3.35Å; A68-F72 PolarHBondContact O-N 2.71Å; A68-L101 HydrophobicContact CB-CD1 3.77Å; A68-L101 HydrophobicContact CB-CD2 4.18Å
69F85Confident83.4Confident77 Ų7758.7 Ų58.734%0.33828%0.28SS..Hα-helixtrans-54.5-48.6176.4-168-79.1000111.3V65 S71 F72 S73 I98 L101V65-F69 WeakPolarHBondContact O-CB 3.48Å; V65-F69 PolarHBondContact O-N 2.89Å; F69-S71 PolarHBondContact O-N 3.15Å; F69-F72 PolarHBondContact O-N 3.25Å; F69-S73 WeakPolarHBondContact CD1-OG 3.23Å; F69-S73 WeakPolarHBondContact CE1-OG 3.37Å; F69-S73 PolarHBondContact O-N 3Å; F69-S73 PolarHBondContact O-OG 3.21Å; F69-I98 HydrophobicContact CD2-CG2 4.41Å; F69-I98 HydrophobicContact CE2-CG2 3.89Å; F69-L101 HydrophobicContact CB-CD1 4.1Å
70K89.7Confident82.9Confident162 Ų16254.6 Ų54.670%0.70427%0.273SS*.Hα-helixtrans-59.4-42178.6-177.8173.9179.6174.80113Q66 K67 A68 K74Q66-K70 WeakPolarHBondContact O-CB 3.48Å; Q66-K70 PolarHBondContact O-N 3.04Å; K67-K70 PolarHBondContact O-N 3.02Å; A68-K70 VanDerWaalsContact C-N 3.34Å; A68-K70 PolarHBondContact O-N 2.93Å; K70-K74 WeakPolarHBondContact O-CB 3.26Å; K70-K74 PolarHBondContact O-N 3.02Å; K70-K74 VanDerWaalsContact O-N 3.09Å
71S90.8Very high81.9Confident8 Ų860.6 Ų60.66%0.05630%0.3CS..Hα-helixtrans-69.2-40.2176-85.80000112E38 K67 A68 F69 K74 A75E38-S71 WeakPolarHBondContact O-CB 3.31Å; E38-S71 PolarHBondContact OE2-OG 3.39Å; K67-S71 PolarHBondContact O-N 3.29Å; K67-S71 VanDerWaalsContact O-N 3.08Å; A68-S71 PolarHBondContact O-N 3.09Å; F69-S71 PolarHBondContact O-N 3.15Å; S71-K74 PolarHBondContact O-N 3.14Å; S71-A75 PolarHBondContact O-N 3.33Å
72F89.6Confident80.9Confident0 Ų063.2 Ų63.20%031%0.312CS..Hα-helixtrans-65.4-43.6175-66.8-39.6000113H39 Q43 M46 A68 F69 K74 A75 M76 V94 N97 I98 L101H39-F72 AromaticContact CD2-CD1 3.74Å; H39-F72 AromaticContact CD2-CE1 3.55Å; Q43-F72 HydrophobicContact CG-CE1 4.22Å; Q43-F72 HydrophobicContact CG-CZ 4.23Å; M46-F72 HydrophobicContact CB-CE2 4.26Å; M46-F72 HydrophobicContact CB-CZ 4.38Å; M46-F72 HydrophobicContact SD-CE2 4.12Å; M46-F72 HydrophobicContact SD-CZ 4.36Å; A68-F72 HydrophobicContact CB-CD2 4.45Å; A68-F72 HydrophobicContact CB-CE2 4.15Å; A68-F72 VanDerWaalsContact O-CD2 3.25Å; A68-F72 WeakPolarHBondContact O-CD2 3.39Å; A68-F72 WeakPolarHBondContact O-CG 3.35Å; A68-F72 PolarHBondContact O-N 2.71Å; F69-F72 PolarHBondContact O-N 3.25Å; F72-K74 PolarHBondContact O-N 3.46Å; F72-A75 PolarHBondContact O-N 3.14Å; F72-M76 PolarHBondContact O-N 2.93Å; F72-V94 HydrophobicContact CB-CG1 4.08Å; F72-V94 WeakPolarHBondContact O-CG1 3.14Å; F72-N97 HydrophobicContact CD2-CB 4.09Å; F72-N97 HydrophobicContact CE1-CB 4.1Å; F72-N97 HydrophobicContact CE2-CB 3.62Å; F72-N97 HydrophobicContact CZ-CB 3.61Å; F72-I98 HydrophobicContact CB-CD1 3.9Å; F72-I98 HydrophobicContact CB-CG1 3.78Å; F72-I98 HydrophobicContact CD2-CG1 4.34Å; F72-I98 HydrophobicContact CG-CG1 4.43Å; F72-L101 HydrophobicContact CD2-CD1 3.66Å; F72-L101 HydrophobicContact CE2-CD1 3.81Å
73S85Confident79.7Confident45 Ų4564.4 Ų64.432%0.31532%0.324SS..Hα-helixtrans-59.2-36.4171.4-52.20000111.9F69 M76 S77F69-S73 WeakPolarHBondContact CD1-OG 3.23Å; F69-S73 WeakPolarHBondContact CE1-OG 3.37Å; F69-S73 PolarHBondContact O-N 3Å; F69-S73 PolarHBondContact O-OG 3.21Å; S73-M76 PolarHBondContact O-N 3.31Å; S73-S77 PolarHBondContact O-N 2.95Å
74K88Confident78.3Confident94 Ų9470.2 Ų70.241%0.40934%0.343SS..Hα-helixtrans-71-40.2176.5-173.763.8-149.2148.20112.1E38 K70 S71 F72 S77E38-K74 HydrophobicContact CG-CB 4.36Å; E38-K74 HydrophobicContact CG-CG 4.01Å; K70-K74 WeakPolarHBondContact O-CB 3.26Å; K70-K74 PolarHBondContact O-N 3.02Å; K70-K74 VanDerWaalsContact O-N 3.09Å; S71-K74 PolarHBondContact O-N 3.14Å; F72-K74 PolarHBondContact O-N 3.46Å; K74-S77 WeakPolarHBondContact CE-OG 3.44Å; K74-S77 PolarHBondContact NZ-OG 3.06Å; K74-S77 PolarHBondContact O-N 2.81Å; K74-S77 PolarHBondContact O-OG 2.98Å
75A86.9Confident76.9Confident0 Ų077.3 Ų77.30%038%0.377CS..Hα-helixtrans-58.5-46.5171.300000111.3Q35 E38 H39 S71 F72 S77 L78 C79 V94Q35-A75 HydrophobicContact CG-CB 4.17Å; E38-A75 HydrophobicContact CB-CB 4.08Å; H39-A75 HydrophobicContact CB-CB 4.36Å; S71-A75 PolarHBondContact O-N 3.33Å; F72-A75 PolarHBondContact O-N 3.14Å; A75-S77 VanDerWaalsContact C-N 3.3Å; A75-S77 PolarHBondContact O-N 3.37Å; A75-L78 WeakPolarHBondContact O-CB 3.08Å; A75-L78 PolarHBondContact O-N 2.97Å; A75-C79 PolarHBondContact O-SG 3.13Å; A75-V94 HydrophobicContact CB-CG2 4.18Å
76M83.7Confident75.9Confident65 Ų6581.5 Ų81.532%0.3240%0.399SS..Hα-helixtrans-57.4-41176.1-164.6-173.9-67.200112.4F72 S73 L78 C79 V94 L95 I98F72-M76 PolarHBondContact O-N 2.93Å; S73-M76 PolarHBondContact O-N 3.31Å; M76-L78 PolarHBondContact O-N 3.08Å; M76-L78 VanDerWaalsContact O-N 3.13Å; M76-C79 WeakPolarHBondContact O-CB 3.29Å; M76-C79 PolarHBondContact O-N 3.17Å; M76-C79 PolarHBondContact O-SG 2.59Å; M76-C79 VanDerWaalsContact O-SG 3.36Å; M76-V94 HydrophobicContact CB-CG1 4.04Å; M76-V94 HydrophobicContact CE-CG1 3.98Å; M76-L95 HydrophobicContact CE-CD2 3.55Å; M76-L95 HydrophobicContact CE-CG 4.18Å; M76-I98 HydrophobicContact CE-CD1 3.53Å
77S84.5Confident75.2Confident64 Ų6477.1 Ų77.145%0.44838%0.38SS..THydrogen-bonded Turntrans-65.6-12.7178.275.70000115S73 K74 A75S73-S77 PolarHBondContact O-N 2.95Å; K74-S77 WeakPolarHBondContact CE-OG 3.44Å; K74-S77 PolarHBondContact NZ-OG 3.06Å; K74-S77 PolarHBondContact O-N 2.81Å; K74-S77 PolarHBondContact O-OG 2.98Å; A75-S77 VanDerWaalsContact C-N 3.3Å; A75-S77 PolarHBondContact O-N 3.37Å
78L82.9Confident74.5Confident35 Ų3574.5 Ų74.518%0.18337%0.371CS..THydrogen-bonded Turntrans-95.2-9.1179.4-66.5164.7000112.7K34 Q35 A75 M76 A80K34-L78 HydrophobicContact CB-CD1 3.75Å; Q35-L78 HydrophobicContact CB-CB 4.11Å; Q35-L78 HydrophobicContact CB-CD1 4.35Å; A75-L78 WeakPolarHBondContact O-CB 3.08Å; A75-L78 PolarHBondContact O-N 2.97Å; M76-L78 PolarHBondContact O-N 3.08Å; M76-L78 VanDerWaalsContact O-N 3.13Å; L78-A80 VanDerWaalsContact C-N 3.33Å; L78-A80 PolarHBondContact O-N 3.07Å
79C72.6Confident74.1Confident10 Ų1079.2 Ų79.27%0.06839%0.389CS..  trans-72-21.4-178.4-59.50000114.6Q35 A75 M76 H81 V87 V91Q35-C79 PolarHBondContact NE2-SG 3.43Å; A75-C79 PolarHBondContact O-SG 3.13Å; M76-C79 WeakPolarHBondContact O-CB 3.29Å; M76-C79 PolarHBondContact O-N 3.17Å; M76-C79 PolarHBondContact O-SG 2.59Å; M76-C79 VanDerWaalsContact O-SG 3.36Å; C79-H81 PolarHBondContact O-N 2.86Å; C79-V87 HydrophobicContact CB-CG1 4.04Å; C79-V91 HydrophobicContact CB-CG2 3.65Å; C79-V91 WeakPolarHBondContact SG-CG2 3.17Å
80A57.9Low73.8Confident71 Ų7177.9 Ų77.959%0.58738%0.382SS*.THydrogen-bonded Turntrans-69.3-0.3-151.300000117.9L78L78-A80 VanDerWaalsContact C-N 3.33Å; L78-A80 PolarHBondContact O-N 3.07Å
81H53.1Low73.5Confident175 Ų17571.3 Ų71.381%0.8136%0.355SS*.THydrogen-bonded Turntrans-139.610.4-161.9-62.5-40.8000116.5C79C79-H81 PolarHBondContact O-N 2.86Å
82K54.4Low73.3Confident102 Ų10270.9 Ų70.944%0.44335%0.353SS..SBendtrans-135.6173.6-174.6-68.1175.2179.4160.20112.2D31 W84 V87D31-K82 IonicContact OD2-NZ 3.23Å; D31-K82 PolarHBondContact OD2-NZ 2.97Å; K82-W84 PolarHBondContact O-N 3Å; K82-V87 HydrophobicContact CB-CG2 4.47Å; K82-V87 WeakPolarHBondContact O-CG2 3.41Å
83N52.1Low73.1Confident143 Ų14372.2 Ų72.277%0.76536%0.364SS*.  trans-45.6124.1-166-98.2-12.2000115H85 D86 V87N83-H85 PolarHBondContact O-N 2.75Å; N83-D86 PolarHBondContact O-N 2.77Å; N83-V87 WeakPolarHBondContact O-CB 3.45Å; N83-V87 WeakPolarHBondContact O-CG2 3.34Å; N83-V87 PolarHBondContact O-N 2.96Å
84W54.4Low73.2Confident215 Ų21570.1 Ų70.181%0.81435%0.349SS*.Hα-helixtrans-49.4-45.9-172-78.284.8000114.8K82 V87 S88K82-W84 PolarHBondContact O-N 3Å; W84-V87 PolarHBondContact O-N 2.83Å; W84-S88 PolarHBondContact O-N 2.81Å; W84-S88 PolarHBondContact O-OG 3.26Å
85H57.1Low73.2Confident162 Ų16266.3 Ų66.375%0.7533%0.333SS*.Hα-helixtrans-65.8-50.1-174.1-71.7-8.6000114.2N83 V87 S88 Y89N83-H85 PolarHBondContact O-N 2.75Å; H85-V87 VanDerWaalsContact C-N 3.28Å; H85-V87 PolarHBondContact O-N 2.95Å; H85-S88 PolarHBondContact O-N 3.11Å; H85-Y89 WeakPolarHBondContact O-CD2 3.45Å; H85-Y89 PolarHBondContact O-N 3.17Å
86D62.6Low73.3Confident91 Ų9167.6 Ų67.649%0.48734%0.34SS..Hα-helixtrans-66-36.1176.3-175.449.1000110.8N83 S88 Y89 R90N83-D86 PolarHBondContact O-N 2.77Å; D86-S88 PolarHBondContact O-N 3.17Å; D86-Y89 PolarHBondContact O-N 3.32Å; D86-R90 WeakPolarHBondContact O-CD 2.98Å; D86-R90 WeakPolarHBondContact O-CG 3.03Å; D86-R90 PolarHBondContact O-N 3.17Å; D86-R90 VanDerWaalsContact O-N 3.15Å; D86-R90 IonicContact OD1-NE 3.39Å; D86-R90 PolarHBondContact OD1-NE 3.44Å; D86-R90 WeakPolarHBondContact OD2-CD 3.36Å; D86-R90 IonicContact OD2-CZ 2.71Å; D86-R90 IonicContact OD2-NE 3.75Å; D86-R90 PolarHBondContact OD2-NE 3.04Å
87V69.7Low73.6Confident27 Ų2765.1 Ų65.116%0.16433%0.328CS..Hα-helixtrans-61.6-42.8175169.60000112.2C79 K82 N83 W84 H85 Y89 R90 V91C79-V87 HydrophobicContact CB-CG1 4.04Å; K82-V87 HydrophobicContact CB-CG2 4.47Å; K82-V87 WeakPolarHBondContact O-CG2 3.41Å; N83-V87 WeakPolarHBondContact O-CB 3.45Å; N83-V87 WeakPolarHBondContact O-CG2 3.34Å; N83-V87 PolarHBondContact O-N 2.96Å; W84-V87 PolarHBondContact O-N 2.83Å; H85-V87 VanDerWaalsContact C-N 3.28Å; H85-V87 PolarHBondContact O-N 2.95Å; V87-Y89 PolarHBondContact O-N 2.96Å; V87-R90 PolarHBondContact O-N 2.69Å; V87-V91 HydrophobicContact CG1-CG2 3.79Å; V87-V91 WeakPolarHBondContact O-CB 3.36Å; V87-V91 VanDerWaalsContact O-CG2 3.23Å; V87-V91 WeakPolarHBondContact O-CG2 3.34Å; V87-V91 PolarHBondContact O-N 2.7Å
88S75.8Confident73.8Confident19 Ų1962.3 Ų62.313%0.13331%0.308CS..Hα-helixtrans-56.9-47.8177.2-74.10000112.5W84 H85 D86 R90 V91 A92 L121W84-S88 PolarHBondContact O-N 2.81Å; W84-S88 PolarHBondContact O-OG 3.26Å; H85-S88 PolarHBondContact O-N 3.11Å; D86-S88 PolarHBondContact O-N 3.17Å; S88-R90 VanDerWaalsContact C-N 3.33Å; S88-R90 PolarHBondContact O-N 3.12Å; S88-V91 PolarHBondContact O-N 2.59Å; S88-A92 VanDerWaalsContact O-CB 3.28Å; S88-A92 WeakPolarHBondContact O-CB 3.47Å; S88-A92 PolarHBondContact O-N 3.33Å; S88-L121 WeakPolarHBondContact CB-O 3.4Å
89Y81.3Confident74.1Confident98 Ų9860.6 Ų60.638%0.38430%0.299SS..Hα-helixtrans-61.6-42.5178.6-82.4-107.7000111.9H85 D86 V87 A93 V122 E124H85-Y89 WeakPolarHBondContact O-CD2 3.45Å; H85-Y89 PolarHBondContact O-N 3.17Å; D86-Y89 PolarHBondContact O-N 3.32Å; V87-Y89 PolarHBondContact O-N 2.96Å; Y89-A93 WeakPolarHBondContact O-CB 3.46Å; Y89-A93 PolarHBondContact O-N 2.97Å; Y89-A93 VanDerWaalsContact O-N 3.12Å; Y89-V122 HydrophobicContact CD1-CG1 3.96Å; Y89-V122 HydrophobicContact CD2-CG1 3.97Å; Y89-V122 HydrophobicContact CD2-CG2 4.22Å; Y89-V122 HydrophobicContact CE1-CG1 3.55Å; Y89-V122 HydrophobicContact CE2-CG1 3.54Å; Y89-V122 HydrophobicContact CG-CG1 4.16Å; Y89-V122 HydrophobicContact CG-CG2 4.32Å; Y89-E124 WeakPolarHBondContact CE2-OE1 3.02Å; Y89-E124 WeakPolarHBondContact OH-CG 3.35Å; Y89-E124 PolarHBondContact OH-OE1 3.07Å
90R77.3Confident74.8Confident49 Ų4961.5 Ų61.519%0.18530%0.303CS..Hα-helixtrans-69.1-40.6178.9-66.4163.9159.7-78.2-16.8112.4T32 D36 D86 V87 S88 V94T32-R90 VanDerWaalsContact CG2-CZ 3.47Å; T32-R90 VanDerWaalsContact CG2-NH2 3.35Å; D36-R90 VanDerWaalsContact CG-NH1 3.3Å; D36-R90 IonicContact OD1-CZ 3.73Å; D36-R90 IonicContact OD1-NH1 3.82Å; D36-R90 PolarHBondContact OD1-NH1 3.42Å; D36-R90 IonicContact OD1-NH2 3.97Å; D36-R90 PolarHBondContact OD1-NH2 3.18Å; D36-R90 IonicContact OD2-CZ 2.69Å; D36-R90 IonicContact OD2-NH1 2.79Å; D36-R90 PolarHBondContact OD2-NH1 3.12Å; D36-R90 IonicContact OD2-NH2 2.78Å; D36-R90 PolarHBondContact OD2-NH2 3.32Å; D86-R90 WeakPolarHBondContact O-CD 2.98Å; D86-R90 WeakPolarHBondContact O-CG 3.03Å; D86-R90 PolarHBondContact O-N 3.17Å; D86-R90 VanDerWaalsContact O-N 3.15Å; D86-R90 IonicContact OD1-NE 3.39Å; D86-R90 PolarHBondContact OD1-NE 3.44Å; D86-R90 WeakPolarHBondContact OD2-CD 3.36Å; D86-R90 IonicContact OD2-CZ 2.71Å; D86-R90 IonicContact OD2-NE 3.75Å; D86-R90 PolarHBondContact OD2-NE 3.04Å; V87-R90 PolarHBondContact O-N 2.69Å; S88-R90 VanDerWaalsContact C-N 3.33Å; S88-R90 PolarHBondContact O-N 3.12Å; R90-V94 WeakPolarHBondContact O-CG2 3.38Å; R90-V94 PolarHBondContact O-N 3.19Å
91V83.7Confident76.2Confident24 Ų2458.1 Ų58.115%0.14528%0.275CS..Hα-helixtrans-69.1-47.1177.8173.60000110.7C79 V87 S88 A93 V94 L95 L121C79-V91 HydrophobicContact CB-CG2 3.65Å; C79-V91 WeakPolarHBondContact SG-CG2 3.17Å; V87-V91 HydrophobicContact CG1-CG2 3.79Å; V87-V91 WeakPolarHBondContact O-CB 3.36Å; V87-V91 VanDerWaalsContact O-CG2 3.23Å; V87-V91 WeakPolarHBondContact O-CG2 3.34Å; V87-V91 PolarHBondContact O-N 2.7Å; S88-V91 PolarHBondContact O-N 2.59Å; V91-A93 VanDerWaalsContact C-N 3.31Å; V91-A93 PolarHBondContact O-N 3.35Å; V91-V94 WeakPolarHBondContact O-CA 3.07Å; V91-V94 PolarHBondContact O-N 3.42Å; V91-L95 HydrophobicContact CG1-CD1 3.82Å; V91-L95 HydrophobicContact CG1-CG 4.2Å; V91-L95 WeakPolarHBondContact O-CG 3.39Å; V91-L95 PolarHBondContact O-N 3.36Å; V91-L121 HydrophobicContact CB-CD1 4Å; V91-L121 HydrophobicContact CG1-CD1 3.49Å; V91-L121 VanDerWaalsContact CG1-CD1 3.49Å
92A86.8Confident77.7Confident0 Ų049.9 Ų49.90%024%0.237CC..Hα-helixtrans-59.1-41.5177.300000112S88 V94 L95 D96 A118 L121 V122 L128S88-A92 VanDerWaalsContact O-CB 3.28Å; S88-A92 WeakPolarHBondContact O-CB 3.47Å; S88-A92 PolarHBondContact O-N 3.33Å; A92-V94 VanDerWaalsContact C-N 3.3Å; A92-V94 PolarHBondContact O-N 2.57Å; A92-L95 PolarHBondContact O-N 3.28Å; A92-D96 VanDerWaalsContact O-CB 3.28Å; A92-D96 WeakPolarHBondContact O-CB 2.94Å; A92-D96 PolarHBondContact O-N 3.27Å; A92-A118 HydrophobicContact CB-CB 4.17Å; A92-A118 WeakPolarHBondContact CB-O 3.21Å; A92-L121 HydrophobicContact CB-CB 4.13Å; A92-L121 HydrophobicContact CB-CD1 4.44Å; A92-V122 HydrophobicContact CB-CB 4.46Å; A92-V122 HydrophobicContact CB-CG2 3.51Å; A92-L128 HydrophobicContact CB-CD1 3.99Å
93A86.2Confident79Confident28 Ų2845.9 Ų45.923%0.23122%0.22CC..Hα-helixtrans-62.8-34173.500000113Y89 V91 N97Y89-A93 WeakPolarHBondContact O-CB 3.46Å; Y89-A93 PolarHBondContact O-N 2.97Å; Y89-A93 VanDerWaalsContact O-N 3.12Å; V91-A93 VanDerWaalsContact C-N 3.31Å; V91-A93 PolarHBondContact O-N 3.35Å; A93-N97 PolarHBondContact O-N 2.73Å; A93-N97 PolarHBondContact O-ND2 3.2Å
94V86.2Confident80.2Confident1 Ų142.9 Ų42.91%0.00620%0.202CC..Hα-helixtrans-73.4-40175.1171.80000111.5F72 A75 M76 R90 V91 A92 N97 I98F72-V94 HydrophobicContact CB-CG1 4.08Å; F72-V94 WeakPolarHBondContact O-CG1 3.14Å; A75-V94 HydrophobicContact CB-CG2 4.18Å; M76-V94 HydrophobicContact CB-CG1 4.04Å; M76-V94 HydrophobicContact CE-CG1 3.98Å; R90-V94 WeakPolarHBondContact O-CG2 3.38Å; R90-V94 PolarHBondContact O-N 3.19Å; V91-V94 WeakPolarHBondContact O-CA 3.07Å; V91-V94 PolarHBondContact O-N 3.42Å; A92-V94 VanDerWaalsContact C-N 3.3Å; A92-V94 PolarHBondContact O-N 2.57Å; V94-N97 PolarHBondContact O-N 3.1Å; V94-I98 HydrophobicContact CG1-CD1 3.97Å; V94-I98 WeakPolarHBondContact O-CG1 3.01Å; V94-I98 PolarHBondContact O-N 2.97Å
95L88.6Confident81.3Confident13 Ų1335.7 Ų35.77%0.06818%0.179CC..Hα-helixtrans-64.4-45.2176.1-71.5169.2000112.1M76 V91 A92 N97 I98 G99 N114 K117 A118 L121M76-L95 HydrophobicContact CE-CD2 3.55Å; M76-L95 HydrophobicContact CE-CG 4.18Å; V91-L95 HydrophobicContact CG1-CD1 3.82Å; V91-L95 HydrophobicContact CG1-CG 4.2Å; V91-L95 WeakPolarHBondContact O-CG 3.39Å; V91-L95 PolarHBondContact O-N 3.36Å; A92-L95 PolarHBondContact O-N 3.28Å; L95-N97 PolarHBondContact O-N 2.79Å; L95-I98 CarbonylContact O-C 3.11Å; L95-I98 WeakPolarHBondContact O-CA 3.26Å; L95-I98 PolarHBondContact O-N 3.46Å; L95-I98 VanDerWaalsContact O-N 3.08Å; L95-G99 PolarHBondContact O-N 2.97Å; L95-N114 HydrophobicContact CD2-CB 4.48Å; L95-N114 WeakPolarHBondContact CD2-OD1 3.46Å; L95-K117 HydrophobicContact CD1-CB 3.92Å; L95-A118 HydrophobicContact CB-CB 3.98Å; L95-L121 HydrophobicContact CD1-CD1 3.7Å
96D89.4Confident82.3Confident27 Ų2731.9 Ų31.914%0.14416%0.16CC..Hα-helixtrans-54.1-49.3174.5174.266.1000111.7A92 I98 G99 I100 F115A92-D96 VanDerWaalsContact O-CB 3.28Å; A92-D96 WeakPolarHBondContact O-CB 2.94Å; A92-D96 PolarHBondContact O-N 3.27Å; D96-I98 VanDerWaalsContact C-N 3.33Å; D96-I98 PolarHBondContact O-N 2.88Å; D96-G99 PolarHBondContact O-N 2.89Å; D96-G99 VanDerWaalsContact O-N 3.16Å; D96-I100 WeakPolarHBondContact O-CG1 3.34Å; D96-I100 PolarHBondContact O-N 2.67Å; D96-F115 WeakPolarHBondContact O-CE1 3.41Å
97N89.9Confident83.3Confident13 Ų1331 Ų317%0.0715%0.153CC..Hα-helixtrans-64.3-35.4176.4-77.6-106.1000112.2M46 F72 A93 V94 L95 L101M46-N97 WeakPolarHBondContact CE-OD1 3.22Å; M46-N97 HydrophobicContact SD-CB 4.22Å; F72-N97 HydrophobicContact CD2-CB 4.09Å; F72-N97 HydrophobicContact CE1-CB 4.1Å; F72-N97 HydrophobicContact CE2-CB 3.62Å; F72-N97 HydrophobicContact CZ-CB 3.61Å; A93-N97 PolarHBondContact O-N 2.73Å; A93-N97 PolarHBondContact O-ND2 3.2Å; V94-N97 PolarHBondContact O-N 3.1Å; L95-N97 PolarHBondContact O-N 2.79Å; N97-L101 WeakPolarHBondContact O-CG 2.91Å; N97-L101 PolarHBondContact O-N 3.19Å; N97-L101 VanDerWaalsContact O-N 3.15Å
98I88.3Confident84.1Confident5 Ų532.4 Ų32.43%0.02616%0.156CC..Hα-helixtrans-69.3-37.4174-72.9167.9000111.4F69 F72 M76 V94 L95 D96 L101 N102F69-I98 HydrophobicContact CD2-CG2 4.41Å; F69-I98 HydrophobicContact CE2-CG2 3.89Å; F72-I98 HydrophobicContact CB-CD1 3.9Å; F72-I98 HydrophobicContact CB-CG1 3.78Å; F72-I98 HydrophobicContact CD2-CG1 4.34Å; F72-I98 HydrophobicContact CG-CG1 4.43Å; M76-I98 HydrophobicContact CE-CD1 3.53Å; V94-I98 HydrophobicContact CG1-CD1 3.97Å; V94-I98 WeakPolarHBondContact O-CG1 3.01Å; V94-I98 PolarHBondContact O-N 2.97Å; L95-I98 CarbonylContact O-C 3.11Å; L95-I98 WeakPolarHBondContact O-CA 3.26Å; L95-I98 PolarHBondContact O-N 3.46Å; L95-I98 VanDerWaalsContact O-N 3.08Å; D96-I98 VanDerWaalsContact C-N 3.33Å; D96-I98 PolarHBondContact O-N 2.88Å; I98-L101 PolarHBondContact O-N 3.5Å; I98-N102 WeakPolarHBondContact O-CB 2.77Å; I98-N102 PolarHBondContact O-N 3.39Å; I98-N102 PolarHBondContact O-ND2 3.3Å
99G89.1Confident84.6Confident0 Ų035.2 Ų35.20%017%0.169CC..Hα-helixtrans-58.2-47.717400000111.8L95 D96 L101 N102 N103 A111L95-G99 PolarHBondContact O-N 2.97Å; D96-G99 PolarHBondContact O-N 2.89Å; D96-G99 VanDerWaalsContact O-N 3.16Å; G99-L101 PolarHBondContact O-N 3.16Å; G99-N102 WeakPolarHBondContact O-CB 2.88Å; G99-N102 PolarHBondContact O-N 2.98Å; G99-N102 VanDerWaalsContact O-N 3.16Å; G99-N103 PolarHBondContact O-N 3.27Å; G99-A111 WeakPolarHBondContact O-CB 3.27Å
100I87.7Confident84.9Confident28 Ų2835.2 Ų35.214%0.14417%0.171CC..Hα-helixtrans-62.9-41.6177.6-61.3163.7000111.1M50 D96 N102 N103 H104 F115 E135M50-I100 HydrophobicContact CE-CG2 3.42Å; M50-I100 VanDerWaalsContact CE-CG2 3.42Å; D96-I100 WeakPolarHBondContact O-CG1 3.34Å; D96-I100 PolarHBondContact O-N 2.67Å; I100-N102 PolarHBondContact O-N 3.32Å; I100-N103 PolarHBondContact O-N 3.29Å; I100-H104 PolarHBondContact O-N 2.99Å; I100-F115 HydrophobicContact CG1-CE1 3.98Å; I100-F115 HydrophobicContact CG1-CZ 3.81Å; I100-F115 VanDerWaalsContact N-CZ 3.3Å; I100-E135 HydrophobicContact CG1-CG 4.37Å
101L85.7Confident85.6Confident1 Ų132.9 Ų32.91%0.00516%0.162CC..Hα-helixtrans-62.6-40.6173.8-69.5178.4000112.3M46 V65 A68 F69 F72 N97 I98 G99 H104 L105M46-L101 HydrophobicContact CB-CD2 4.34Å; M46-L101 HydrophobicContact CG-CD2 3.78Å; M46-L101 HydrophobicContact CG-CG 4.45Å; M46-L101 HydrophobicContact SD-CD2 4.3Å; M46-L101 HydrophobicContact SD-CG 4.36Å; V65-L101 HydrophobicContact CB-CD2 4.42Å; V65-L101 HydrophobicContact CG1-CB 4.46Å; V65-L101 HydrophobicContact CG1-CD2 4.13Å; V65-L101 HydrophobicContact CG2-CD2 4.17Å; A68-L101 HydrophobicContact CB-CD1 3.77Å; A68-L101 HydrophobicContact CB-CD2 4.18Å; F69-L101 HydrophobicContact CB-CD1 4.1Å; F72-L101 HydrophobicContact CD2-CD1 3.66Å; F72-L101 HydrophobicContact CE2-CD1 3.81Å; N97-L101 WeakPolarHBondContact O-CG 2.91Å; N97-L101 PolarHBondContact O-N 3.19Å; N97-L101 VanDerWaalsContact O-N 3.15Å; I98-L101 PolarHBondContact O-N 3.5Å; G99-L101 PolarHBondContact O-N 3.16Å; L101-H104 PolarHBondContact O-N 3.11Å; L101-L105 WeakPolarHBondContact O-CG 3.09Å; L101-L105 PolarHBondContact O-N 2.99Å
102N85.4Confident86Confident2 Ų232 Ų321%0.01116%0.157CC..Hα-helixtrans-65.2-40.5176.5-68.2-19.9000111.3I98 G99 I100 L105 K106 E107 K110 A111I98-N102 WeakPolarHBondContact O-CB 2.77Å; I98-N102 PolarHBondContact O-N 3.39Å; I98-N102 PolarHBondContact O-ND2 3.3Å; G99-N102 WeakPolarHBondContact O-CB 2.88Å; G99-N102 PolarHBondContact O-N 2.98Å; G99-N102 VanDerWaalsContact O-N 3.16Å; I100-N102 PolarHBondContact O-N 3.32Å; N102-L105 CarbonylContact O-C 3.43Å; N102-L105 PolarHBondContact O-N 3.26Å; N102-L105 VanDerWaalsContact O-N 3.12Å; N102-K106 PolarHBondContact O-N 3.26Å; N102-K106 VanDerWaalsContact O-N 3.12Å; N102-E107 HydrophobicContact CB-CB 4.34Å; N102-E107 PolarHBondContact O-N 2.95Å; N102-K110 HydrophobicContact CB-CB 4.43Å; N102-K110 PolarHBondContact ND2-O 2.97Å; N102-A111 HydrophobicContact CB-CB 3.71Å
103N81.5Confident86.2Confident17 Ų1736.1 Ų36.19%0.09118%0.176CC..Hα-helixtrans-59-45.7171.9-93.5-4.5000111.3G99 I100 L105 K106 Y108 A111 E135 A139G99-N103 PolarHBondContact O-N 3.27Å; I100-N103 PolarHBondContact O-N 3.29Å; N103-L105 VanDerWaalsContact C-N 3.27Å; N103-L105 PolarHBondContact O-N 3.16Å; N103-K106 PolarHBondContact O-N 3.03Å; N103-Y108 WeakPolarHBondContact OD1-CD1 3.4Å; N103-A111 HydrophobicContact CB-CB 4.33Å; N103-A111 WeakPolarHBondContact OD1-CB 3.4Å; N103-E135 PolarHBondContact ND2-O 3.08Å; N103-E135 PolarHBondContact ND2-OE2 2.93Å; N103-A139 WeakPolarHBondContact OD1-CB 3.09Å
104H77.4Confident86.4Confident81 Ų8136 Ų3638%0.37517%0.172SC..Hα-helixtrans-65.9-22.8174.3-73.9-33.3000114.6I100 L101 K106I100-H104 PolarHBondContact O-N 2.99Å; L101-H104 PolarHBondContact O-N 3.11Å; H104-K106 VanDerWaalsContact C-N 3.34Å
105L77.1Confident86.8Confident64 Ų6436 Ų3634%0.33517%0.171SC..THydrogen-bonded Turntrans-86.3-2.7171.8-70.3172.1000113.4V65 L101 N102 N103 E107V65-L105 HydrophobicContact CG1-CD1 3.78Å; V65-L105 HydrophobicContact CG1-CD2 3.78Å; V65-L105 HydrophobicContact CG1-CG 3.76Å; L101-L105 WeakPolarHBondContact O-CG 3.09Å; L101-L105 PolarHBondContact O-N 2.99Å; N102-L105 CarbonylContact O-C 3.43Å; N102-L105 PolarHBondContact O-N 3.26Å; N102-L105 VanDerWaalsContact O-N 3.12Å; N103-L105 VanDerWaalsContact C-N 3.27Å; N103-L105 PolarHBondContact O-N 3.16Å; L105-E107 HydrophobicContact CB-CG 4.02Å; L105-E107 PolarHBondContact O-N 3.06Å
106K78.4Confident87Confident81 Ų8139 Ų3935%0.35219%0.185SC..THydrogen-bonded Turntrans61.321.4-170.4-49.3-170-179-178.30113.8N102 N103 H104 Y108 M294 E295N102-K106 PolarHBondContact O-N 3.26Å; N102-K106 VanDerWaalsContact O-N 3.12Å; N103-K106 PolarHBondContact O-N 3.03Å; H104-K106 VanDerWaalsContact C-N 3.34Å; K106-Y108 HydrophobicContact CB-CE1 4.5Å; K106-Y108 HydrophobicContact CB-CE2 3.85Å; K106-Y108 HydrophobicContact CG-CE2 4.48Å; K106-Y108 WeakPolarHBondContact O-CD2 3.2Å; K106-Y108 PolarHBondContact O-N 3.47Å; K106-Y108 VanDerWaalsContact O-N 3.12Å; K106-M294 PolarHBondContact NZ-O 3.18Å; K106-E295 WeakPolarHBondContact CE-OE2 3.35Å; K106-E295 IonicContact NZ-OE2 3.26Å; K106-E295 PolarHBondContact NZ-OE2 3.29Å
107E83Confident87Confident74 Ų7441.9 Ų41.935%0.34620%0.196SC..  trans-86.652.2174.3-62.5-163.4144.500111.1N102 L105 N109 K110 A111N102-E107 HydrophobicContact CB-CB 4.34Å; N102-E107 PolarHBondContact O-N 2.95Å; L105-E107 HydrophobicContact CB-CG 4.02Å; L105-E107 PolarHBondContact O-N 3.06Å; E107-N109 VanDerWaalsContact C-N 3.32Å; E107-N109 PolarHBondContact O-N 3.49Å; E107-N109 VanDerWaalsContact O-N 3.13Å; E107-K110 HydrophobicContact CB-CB 4.49Å; E107-K110 HydrophobicContact CB-CD 4.43Å; E107-K110 PolarHBondContact O-N 3.15Å; E107-K110 IonicContact OE1-NZ 2.64Å; E107-K110 PolarHBondContact OE1-NZ 3.25Å; E107-K110 WeakPolarHBondContact OE2-CD 3.4Å; E107-K110 WeakPolarHBondContact OE2-CE 3.24Å; E107-K110 IonicContact OE2-NZ 3.46Å; E107-K110 PolarHBondContact OE2-NZ 3.18Å; E107-A111 PolarHBondContact O-N 2.62Å; E107-A111 VanDerWaalsContact O-N 3.08Å
108Y88Confident87Confident55 Ų5541.2 Ų41.222%0.21619%0.193CC..Hα-helixtrans-53.2-38.8-165.4-58-60.3000114.8N103 K106 K110 A111 I112 A139 A142 L143N103-Y108 WeakPolarHBondContact OD1-CD1 3.4Å; K106-Y108 HydrophobicContact CB-CE1 4.5Å; K106-Y108 HydrophobicContact CB-CE2 3.85Å; K106-Y108 HydrophobicContact CG-CE2 4.48Å; K106-Y108 WeakPolarHBondContact O-CD2 3.2Å; K106-Y108 PolarHBondContact O-N 3.47Å; K106-Y108 VanDerWaalsContact O-N 3.12Å; Y108-K110 PolarHBondContact O-N 3.46Å; Y108-A111 WeakPolarHBondContact O-CB 3.27Å; Y108-A111 PolarHBondContact O-N 2.85Å; Y108-A111 VanDerWaalsContact O-N 3.15Å; Y108-I112 WeakPolarHBondContact O-CD1 3Å; Y108-I112 VanDerWaalsContact O-CG1 3.25Å; Y108-I112 WeakPolarHBondContact O-CG1 3.28Å; Y108-I112 PolarHBondContact O-N 2.96Å; Y108-A139 HydrophobicContact CD1-CB 4.22Å; Y108-A142 HydrophobicContact CD1-CB 4.11Å; Y108-A142 HydrophobicContact CD2-CB 4.03Å; Y108-A142 HydrophobicContact CE1-CB 3.73Å; Y108-A142 HydrophobicContact CE2-CB 3.62Å; Y108-A142 HydrophobicContact CG-CB 4.26Å; Y108-A142 VanDerWaalsContact CZ-CB 3.46Å; Y108-L143 HydrophobicContact CD2-CD2 4.21Å; Y108-L143 HydrophobicContact CD2-CG 4.27Å; Y108-L143 HydrophobicContact CG-CG 4.37Å
109N85.6Confident87.1Confident78 Ų7842.7 Ų42.742%0.41720%0.2SC..Hα-helixtrans-60.9-45.7176.7-70.55.1000111.8E107 A111 I112 E113 L143E107-N109 VanDerWaalsContact C-N 3.32Å; E107-N109 PolarHBondContact O-N 3.49Å; E107-N109 VanDerWaalsContact O-N 3.13Å; N109-A111 VanDerWaalsContact C-N 3.27Å; N109-A111 PolarHBondContact O-N 3.38Å; N109-I112 PolarHBondContact O-N 3.42Å; N109-E113 PolarHBondContact O-N 3.15Å; N109-L143 VanDerWaalsContact OD1-CD1 3.22Å; N109-L143 WeakPolarHBondContact OD1-CD1 3.46Å
110K88.6Confident87.1Confident98 Ų9849.6 Ų49.643%0.42623%0.233SC..Hα-helixtrans-68.2-28.9176-56.2-173.4-155.3160.40111.8N102 E107 Y108 N114N102-K110 HydrophobicContact CB-CB 4.43Å; N102-K110 PolarHBondContact ND2-O 2.97Å; E107-K110 HydrophobicContact CB-CB 4.49Å; E107-K110 HydrophobicContact CB-CD 4.43Å; E107-K110 PolarHBondContact O-N 3.15Å; E107-K110 IonicContact OE1-NZ 2.64Å; E107-K110 PolarHBondContact OE1-NZ 3.25Å; E107-K110 WeakPolarHBondContact OE2-CD 3.4Å; E107-K110 WeakPolarHBondContact OE2-CE 3.24Å; E107-K110 IonicContact OE2-NZ 3.46Å; E107-K110 PolarHBondContact OE2-NZ 3.18Å; Y108-K110 PolarHBondContact O-N 3.46Å; K110-N114 PolarHBondContact O-N 2.94Å; K110-N114 PolarHBondContact O-ND2 2.92Å
111A91.3Very high87Confident0 Ų051.1 Ų51.10%024%0.241CC..Hα-helixtrans-62.8-54.2173.500000110G99 N102 N103 E107 Y108 N109 E113 N114 F115G99-A111 WeakPolarHBondContact O-CB 3.27Å; N102-A111 HydrophobicContact CB-CB 3.71Å; N103-A111 HydrophobicContact CB-CB 4.33Å; N103-A111 WeakPolarHBondContact OD1-CB 3.4Å; E107-A111 PolarHBondContact O-N 2.62Å; E107-A111 VanDerWaalsContact O-N 3.08Å; Y108-A111 WeakPolarHBondContact O-CB 3.27Å; Y108-A111 PolarHBondContact O-N 2.85Å; Y108-A111 VanDerWaalsContact O-N 3.15Å; N109-A111 VanDerWaalsContact C-N 3.27Å; N109-A111 PolarHBondContact O-N 3.38Å; A111-E113 PolarHBondContact O-N 3.21Å; A111-N114 PolarHBondContact O-N 3.37Å; A111-F115 VanDerWaalsContact C-CD2 3.49Å; A111-F115 HydrophobicContact CB-CD2 4.35Å; A111-F115 HydrophobicContact CB-CE2 3.99Å; A111-F115 WeakPolarHBondContact O-CD2 3.29Å; A111-F115 PolarHBondContact O-N 3.46Å
112I91.8Very high87Confident5 Ų551 Ų513%0.02624%0.24CC..Hα-helixtrans-52.2-52.5177.4-66.7159.3000111Y108 N109 N114 F115 E116 I136 A139 K140 L143Y108-I112 WeakPolarHBondContact O-CD1 3Å; Y108-I112 VanDerWaalsContact O-CG1 3.25Å; Y108-I112 WeakPolarHBondContact O-CG1 3.28Å; Y108-I112 PolarHBondContact O-N 2.96Å; N109-I112 PolarHBondContact O-N 3.42Å; I112-N114 VanDerWaalsContact C-N 3.26Å; I112-N114 PolarHBondContact O-N 3.33Å; I112-F115 PolarHBondContact O-N 3.4Å; I112-F115 VanDerWaalsContact O-N 3.13Å; I112-E116 HydrophobicContact CG2-CG 4.24Å; I112-E116 WeakPolarHBondContact CG2-OE1 3.36Å; I112-E116 WeakPolarHBondContact CG2-OE2 3.47Å; I112-E116 WeakPolarHBondContact O-CG 3.39Å; I112-E116 PolarHBondContact O-N 2.96Å; I112-I136 HydrophobicContact CG1-CG2 4.31Å; I112-I136 HydrophobicContact CG2-CG2 4.4Å; I112-A139 HydrophobicContact CD1-CB 3.79Å; I112-A139 HydrophobicContact CG1-CB 3.61Å; I112-K140 HydrophobicContact CD1-CD 3.74Å; I112-K140 HydrophobicContact CD1-CG 4.13Å; I112-L143 HydrophobicContact CD1-CD1 3.7Å
113E90.7Very high87Confident88 Ų8854.7 Ų54.741%0.41126%0.264SS..Hα-helixtrans-55.1-36.7177.8-77.9-178.5-119.600114.3N109 A111 K117N109-E113 PolarHBondContact O-N 3.15Å; A111-E113 PolarHBondContact O-N 3.21Å; E113-K117 WeakPolarHBondContact O-CB 3.41Å; E113-K117 WeakPolarHBondContact O-CD 3.24Å; E113-K117 WeakPolarHBondContact O-CG 3.17Å; E113-K117 PolarHBondContact O-N 3.47Å; E113-K117 IonicContact OE2-NZ 3.47Å; E113-K117 PolarHBondContact OE2-NZ 2.95Å
114N91.4Very high87.3Confident25 Ų2557.4 Ų57.413%0.13428%0.276CS..Hα-helixtrans-78.2-36.2-179.3-80.5-94.2000111L95 K110 A111 I112 A118L95-N114 HydrophobicContact CD2-CB 4.48Å; L95-N114 WeakPolarHBondContact CD2-OD1 3.46Å; K110-N114 PolarHBondContact O-N 2.94Å; K110-N114 PolarHBondContact O-ND2 2.92Å; A111-N114 PolarHBondContact O-N 3.37Å; I112-N114 VanDerWaalsContact C-N 3.26Å; I112-N114 PolarHBondContact O-N 3.33Å; N114-A118 WeakPolarHBondContact O-CB 3.36Å; N114-A118 PolarHBondContact O-N 3.33Å
115F94Very high87.7Confident0 Ų056 Ų560%027%0.271CS..Hα-helixtrans-67.8-42.4174.2-68.2-56.1000112.5D96 I100 A111 I112 A118 I119 A132 E135 I136D96-F115 WeakPolarHBondContact O-CE1 3.41Å; I100-F115 HydrophobicContact CG1-CE1 3.98Å; I100-F115 HydrophobicContact CG1-CZ 3.81Å; I100-F115 VanDerWaalsContact N-CZ 3.3Å; A111-F115 VanDerWaalsContact C-CD2 3.49Å; A111-F115 HydrophobicContact CB-CD2 4.35Å; A111-F115 HydrophobicContact CB-CE2 3.99Å; A111-F115 WeakPolarHBondContact O-CD2 3.29Å; A111-F115 PolarHBondContact O-N 3.46Å; I112-F115 PolarHBondContact O-N 3.4Å; I112-F115 VanDerWaalsContact O-N 3.13Å; F115-A118 WeakPolarHBondContact O-CB 3.49Å; F115-A118 PolarHBondContact O-N 2.63Å; F115-A118 VanDerWaalsContact O-N 3.16Å; F115-I119 WeakPolarHBondContact O-CG1 3.45Å; F115-I119 PolarHBondContact O-N 2.8Å; F115-A132 HydrophobicContact CB-CB 4.09Å; F115-A132 HydrophobicContact CD1-CB 3.98Å; F115-A132 HydrophobicContact CG-CB 4.38Å; F115-E135 HydrophobicContact CD1-CB 4.38Å; F115-E135 HydrophobicContact CD2-CB 3.98Å; F115-E135 HydrophobicContact CE1-CB 3.83Å; F115-E135 HydrophobicContact CE1-CG 3.98Å; F115-E135 HydrophobicContact CE2-CB 3.4Å; F115-E135 HydrophobicContact CE2-CG 4.2Å; F115-E135 HydrophobicContact CG-CB 4.44Å; F115-E135 HydrophobicContact CZ-CB 3.29Å; F115-E135 HydrophobicContact CZ-CG 3.59Å; F115-I136 HydrophobicContact CB-CD1 3.62Å; F115-I136 HydrophobicContact CB-CG1 3.6Å; F115-I136 HydrophobicContact CD2-CG1 4.04Å; F115-I136 HydrophobicContact CG-CG1 4.16Å
116E92.5Very high88.2Confident78 Ų7857.2 Ų57.236%0.36427%0.272SS..Hα-helixtrans-60.1-48.8176.2-72.1167.2167.500110.4I112 A118 I119 E120 I136I112-E116 HydrophobicContact CG2-CG 4.24Å; I112-E116 WeakPolarHBondContact CG2-OE1 3.36Å; I112-E116 WeakPolarHBondContact CG2-OE2 3.47Å; I112-E116 WeakPolarHBondContact O-CG 3.39Å; I112-E116 PolarHBondContact O-N 2.96Å; E116-A118 VanDerWaalsContact C-N 3.29Å; E116-A118 PolarHBondContact O-N 2.96Å; E116-I119 WeakPolarHBondContact O-CB 3.35Å; E116-I119 PolarHBondContact O-N 2.82Å; E116-I119 VanDerWaalsContact O-N 3.09Å; E116-E120 WeakPolarHBondContact O-CG 3.43Å; E116-E120 PolarHBondContact O-N 3.42Å; E116-I136 HydrophobicContact CG-CD1 4.01Å
117K89.7Confident88.6Confident86 Ų8657.1 Ų57.137%0.37427%0.272SS..Hα-helixtrans-62.4-30.7174.3-68.3163.1-165.5156.10113.3L95 E113 L121L95-K117 HydrophobicContact CD1-CB 3.92Å; E113-K117 WeakPolarHBondContact O-CB 3.41Å; E113-K117 WeakPolarHBondContact O-CD 3.24Å; E113-K117 WeakPolarHBondContact O-CG 3.17Å; E113-K117 PolarHBondContact O-N 3.47Å; E113-K117 IonicContact OE2-NZ 3.47Å; E113-K117 PolarHBondContact OE2-NZ 2.95Å; K117-L121 WeakPolarHBondContact O-CD1 3.41Å; K117-L121 VanDerWaalsContact O-CG 3.3Å; K117-L121 WeakPolarHBondContact O-CG 3.37Å; K117-L121 PolarHBondContact O-N 3.49Å
118A89.7Confident88.9Confident0 Ų054.5 Ų54.50%026%0.261CS..Hα-helixtrans-71.6-34.4174.500000112.5A92 L95 N114 F115 E116 L128A92-A118 HydrophobicContact CB-CB 4.17Å; A92-A118 WeakPolarHBondContact CB-O 3.21Å; L95-A118 HydrophobicContact CB-CB 3.98Å; N114-A118 WeakPolarHBondContact O-CB 3.36Å; N114-A118 PolarHBondContact O-N 3.33Å; F115-A118 WeakPolarHBondContact O-CB 3.49Å; F115-A118 PolarHBondContact O-N 2.63Å; F115-A118 VanDerWaalsContact O-N 3.16Å; E116-A118 VanDerWaalsContact C-N 3.29Å; E116-A118 PolarHBondContact O-N 2.96Å; A118-L128 HydrophobicContact CB-CD2 4.18Å
119I90.8Very high89Confident35 Ų3552.6 Ų52.618%0.17926%0.255CS..Hα-helixtrans-69-47.3173.9-67.6164.5000110.4F115 E116 L121 V122 P123 V129 A132 L133 I136F115-I119 WeakPolarHBondContact O-CG1 3.45Å; F115-I119 PolarHBondContact O-N 2.8Å; E116-I119 WeakPolarHBondContact O-CB 3.35Å; E116-I119 PolarHBondContact O-N 2.82Å; E116-I119 VanDerWaalsContact O-N 3.09Å; I119-L121 VanDerWaalsContact C-N 3.29Å; I119-L121 PolarHBondContact O-N 3.1Å; I119-V122 CarbonylContact O-C 3.45Å; I119-V122 PolarHBondContact O-N 3.37Å; I119-P123 WeakPolarHBondContact O-CA 3.41Å; I119-V129 HydrophobicContact CB-CG2 4.49Å; I119-V129 HydrophobicContact CD1-CG1 4.49Å; I119-V129 HydrophobicContact CG1-CB 4.43Å; I119-V129 HydrophobicContact CG1-CG1 4.19Å; I119-V129 HydrophobicContact CG1-CG2 4.3Å; I119-V129 HydrophobicContact CG2-CG1 4.05Å; I119-V129 HydrophobicContact CG2-CG2 4.12Å; I119-A132 HydrophobicContact CD1-CB 3.78Å; I119-A132 HydrophobicContact CG1-CB 3.77Å; I119-L133 HydrophobicContact CD1-CD2 4.15Å; I119-L133 HydrophobicContact CD1-CG 4.22Å; I119-I136 HydrophobicContact CD1-CD1 3.97Å
120E88.1Confident89.3Confident145 Ų14548.9 Ų48.968%0.67824%0.235SC*.Hα-helixtrans-56.5-39.4178.9-73.1172.3169.500113.2E116E116-E120 WeakPolarHBondContact O-CG 3.43Å; E116-E120 PolarHBondContact O-N 3.42Å
121L85.5Confident89.3Confident60 Ų6049.9 Ų49.931%0.31424%0.239SC..Hα-helixtrans-73-27.3-178.8-76.3170.3000114.1S88 V91 A92 L95 K117 I119S88-L121 WeakPolarHBondContact CB-O 3.4Å; V91-L121 HydrophobicContact CB-CD1 4Å; V91-L121 HydrophobicContact CG1-CD1 3.49Å; V91-L121 VanDerWaalsContact CG1-CD1 3.49Å; A92-L121 HydrophobicContact CB-CB 4.13Å; A92-L121 HydrophobicContact CB-CD1 4.44Å; L95-L121 HydrophobicContact CD1-CD1 3.7Å; K117-L121 WeakPolarHBondContact O-CD1 3.41Å; K117-L121 VanDerWaalsContact O-CG 3.3Å; K117-L121 WeakPolarHBondContact O-CG 3.37Å; K117-L121 PolarHBondContact O-N 3.49Å; I119-L121 VanDerWaalsContact C-N 3.29Å; I119-L121 PolarHBondContact O-N 3.1Å
122V85.7Confident89.4Confident0 Ų049.9 Ų49.90%024%0.239CC..  trans-143.959.7-173.3-159.90000112.4Y89 A92 I119 E124 N125Y89-V122 HydrophobicContact CD1-CG1 3.96Å; Y89-V122 HydrophobicContact CD2-CG1 3.97Å; Y89-V122 HydrophobicContact CD2-CG2 4.22Å; Y89-V122 HydrophobicContact CE1-CG1 3.55Å; Y89-V122 HydrophobicContact CE2-CG1 3.54Å; Y89-V122 HydrophobicContact CG-CG1 4.16Å; Y89-V122 HydrophobicContact CG-CG2 4.32Å; A92-V122 HydrophobicContact CB-CB 4.46Å; A92-V122 HydrophobicContact CB-CG2 3.51Å; I119-V122 CarbonylContact O-C 3.45Å; I119-V122 PolarHBondContact O-N 3.37Å; V122-E124 PolarHBondContact O-N 2.96Å; V122-N125 HydrophobicContact CB-CB 4.31Å; V122-N125 HydrophobicContact CG1-CB 3.52Å; V122-N125 PolarHBondContact O-N 3.29Å; V122-N125 VanDerWaalsContact O-N 3.07Å
123P86.9Confident89.5Confident79 Ų7950.3 Ų50.351%0.51324%0.241SC..THydrogen-bonded Turntrans-66.2-23.1-173.426.7-35.5000113.6I119 N125I119-P123 WeakPolarHBondContact O-CA 3.41Å; P123-N125 VanDerWaalsContact C-N 3.3Å; P123-N125 PolarHBondContact O-N 2.69Å
124E86.6Confident89.6Confident74 Ų7446.4 Ų46.435%0.34623%0.225SC..THydrogen-bonded Turntrans-71.2-19.9173.863.2-87.5-174.200114.7Y89 V122 R126 K783Y89-E124 WeakPolarHBondContact CE2-OE1 3.02Å; Y89-E124 WeakPolarHBondContact OH-CG 3.35Å; Y89-E124 PolarHBondContact OH-OE1 3.07Å; V122-E124 PolarHBondContact O-N 2.96Å; E124-R126 VanDerWaalsContact C-N 3.31Å; E124-R126 PolarHBondContact O-N 2.87Å; E124-K783 VanDerWaalsContact OE2-CE 3.3Å; E124-K783 WeakPolarHBondContact OE2-CE 3.24Å; E124-K783 IonicContact OE2-NZ 3.97Å; E124-K783 PolarHBondContact OE2-NZ 2.98Å
125N86.2Confident89.7Confident50 Ų5048.2 Ų48.227%0.26723%0.232SC..  trans-82.678.2-175.1-176-9.7000110.3V122 P123 Q127 L128 V129V122-N125 HydrophobicContact CB-CB 4.31Å; V122-N125 HydrophobicContact CG1-CB 3.52Å; V122-N125 PolarHBondContact O-N 3.29Å; V122-N125 VanDerWaalsContact O-N 3.07Å; P123-N125 VanDerWaalsContact C-N 3.3Å; P123-N125 PolarHBondContact O-N 2.69Å; N125-Q127 PolarHBondContact O-N 2.94Å; N125-Q127 PolarHBondContact OD1-N 3.18Å; N125-L128 HydrophobicContact CB-CB 4.11Å; N125-L128 PolarHBondContact O-N 3.28Å; N125-L128 PolarHBondContact OD1-N 2.83Å; N125-V129 WeakPolarHBondContact O-CG2 3.36Å; N125-V129 PolarHBondContact O-N 2.97Å
126R88.3Confident89.7Confident91 Ų9148.4 Ų48.434%0.34323%0.233SC..Hα-helixtrans-49.6-32.1-177.8-55.6-176.486.3105.6-5.6113.4E124 G130 L159E124-R126 VanDerWaalsContact C-N 3.31Å; E124-R126 PolarHBondContact O-N 2.87Å; R126-G130 WeakPolarHBondContact O-CA 3.4Å; R126-G130 PolarHBondContact O-N 2.91Å; R126-L159 HydrophobicContact CB-CD1 4.22Å; R126-L159 HydrophobicContact CB-CG 4.41Å; R126-L159 HydrophobicContact CG-CD1 4.1Å; R126-L159 PolarHBondContact NE-O 2.92Å; R126-L159 PolarHBondContact NH2-O 2.9Å; R126-L159 WeakPolarHBondContact O-CD2 3.26Å
127Q87.3Confident89.7Confident78 Ų7844.7 Ų44.736%0.36422%0.216SC..Hα-helixtrans-75-39.3178.8-160.372.755.500112.8N125 K131 D168N125-Q127 PolarHBondContact O-N 2.94Å; N125-Q127 PolarHBondContact OD1-N 3.18Å; Q127-K131 VanDerWaalsContact O-CG 3.32Å; Q127-K131 WeakPolarHBondContact O-CG 3.32Å; Q127-K131 PolarHBondContact O-N 3.41Å; Q127-D168 VanDerWaalsContact NE2-CG 3.35Å; Q127-D168 PolarHBondContact NE2-OD1 2.64Å; Q127-D168 PolarHBondContact NE2-OD2 3.31Å
128L88.1Confident89.6Confident20 Ų2043.3 Ų43.311%0.10521%0.212CC..Hα-helixtrans-68.3-50.8173.2-177.1155000109.9A92 A118 N125 G130 K131 A132A92-L128 HydrophobicContact CB-CD1 3.99Å; A118-L128 HydrophobicContact CB-CD2 4.18Å; N125-L128 HydrophobicContact CB-CB 4.11Å; N125-L128 PolarHBondContact O-N 3.28Å; N125-L128 PolarHBondContact OD1-N 2.83Å; L128-G130 VanDerWaalsContact C-N 3.32Å; L128-G130 PolarHBondContact O-N 3.5Å; L128-K131 PolarHBondContact O-N 3.1Å; L128-K131 VanDerWaalsContact O-N 3.16Å; L128-A132 WeakPolarHBondContact O-CB 3.03Å; L128-A132 PolarHBondContact O-N 3.08Å
129V90.8Very high89.5Confident14 Ų1443.3 Ų43.39%0.08521%0.212CC..Hα-helixtrans-58.4-45.5179.2177.70000110.8I119 N125 K131 A132 L133 L159I119-V129 HydrophobicContact CB-CG2 4.49Å; I119-V129 HydrophobicContact CD1-CG1 4.49Å; I119-V129 HydrophobicContact CG1-CB 4.43Å; I119-V129 HydrophobicContact CG1-CG1 4.19Å; I119-V129 HydrophobicContact CG1-CG2 4.3Å; I119-V129 HydrophobicContact CG2-CG1 4.05Å; I119-V129 HydrophobicContact CG2-CG2 4.12Å; N125-V129 WeakPolarHBondContact O-CG2 3.36Å; N125-V129 PolarHBondContact O-N 2.97Å; V129-K131 VanDerWaalsContact C-N 3.31Å; V129-K131 PolarHBondContact O-N 3.43Å; V129-A132 PolarHBondContact O-N 3.46Å; V129-L133 HydrophobicContact CG1-CD1 3.86Å; V129-L133 HydrophobicContact CG1-CG 4.21Å; V129-L133 WeakPolarHBondContact O-CB 3.34Å; V129-L133 WeakPolarHBondContact O-CG 2.9Å; V129-L133 PolarHBondContact O-N 3.33Å; V129-L159 HydrophobicContact CB-CD2 4.12Å; V129-L159 HydrophobicContact CG1-CD2 3.88Å
130G90.5Very high89.4Confident0 Ų043.7 Ų43.70%021%0.212CC..Hα-helixtrans-65.1-28.817900000114.7R126 L128 G134 R156R126-G130 WeakPolarHBondContact O-CA 3.4Å; R126-G130 PolarHBondContact O-N 2.91Å; L128-G130 VanDerWaalsContact C-N 3.32Å; L128-G130 PolarHBondContact O-N 3.5Å; G130-G134 PolarHBondContact O-N 3.02Å; G130-R156 WeakPolarHBondContact O-CD 3.32Å; G130-R156 PolarHBondContact O-NE 3.09Å
131K90.5Very high89.4Confident119 Ų11938.3 Ų38.352%0.51719%0.186SC..Hα-helixtrans-78-47.9172.5-74.2-175.5178.2-146.20111.8Q127 L128 V129 L133 G134 E135Q127-K131 VanDerWaalsContact O-CG 3.32Å; Q127-K131 WeakPolarHBondContact O-CG 3.32Å; Q127-K131 PolarHBondContact O-N 3.41Å; L128-K131 PolarHBondContact O-N 3.1Å; L128-K131 VanDerWaalsContact O-N 3.16Å; V129-K131 VanDerWaalsContact C-N 3.31Å; V129-K131 PolarHBondContact O-N 3.43Å; K131-L133 VanDerWaalsContact C-N 3.33Å; K131-L133 PolarHBondContact O-N 3.29Å; K131-G134 WeakPolarHBondContact O-CA 3.15Å; K131-G134 PolarHBondContact O-N 2.82Å; K131-E135 PolarHBondContact O-N 3.19Å
132A92.5Very high89.1Confident0 Ų038 Ų380%019%0.192CC..Hα-helixtrans-56.5-44.3176.400000112F115 I119 L128 V129 G134 E135 I136F115-A132 HydrophobicContact CB-CB 4.09Å; F115-A132 HydrophobicContact CD1-CB 3.98Å; F115-A132 HydrophobicContact CG-CB 4.38Å; I119-A132 HydrophobicContact CD1-CB 3.78Å; I119-A132 HydrophobicContact CG1-CB 3.77Å; L128-A132 WeakPolarHBondContact O-CB 3.03Å; L128-A132 PolarHBondContact O-N 3.08Å; V129-A132 PolarHBondContact O-N 3.46Å; A132-G134 VanDerWaalsContact C-N 3.31Å; A132-G134 PolarHBondContact O-N 3.32Å; A132-E135 PolarHBondContact O-N 3.4Å; A132-I136 WeakPolarHBondContact O-CD1 3.17Å; A132-I136 WeakPolarHBondContact O-CG1 3.22Å; A132-I136 PolarHBondContact O-N 3.38Å
133L94.8Very high88.9Confident14 Ų1440.2 Ų40.27%0.07320%0.203CC..Hα-helixtrans-58.9-40.1172.9-71170.9000112.2I119 V129 K131 I136 V137 I152 R156 L159I119-L133 HydrophobicContact CD1-CD2 4.15Å; I119-L133 HydrophobicContact CD1-CG 4.22Å; V129-L133 HydrophobicContact CG1-CD1 3.86Å; V129-L133 HydrophobicContact CG1-CG 4.21Å; V129-L133 WeakPolarHBondContact O-CB 3.34Å; V129-L133 WeakPolarHBondContact O-CG 2.9Å; V129-L133 PolarHBondContact O-N 3.33Å; K131-L133 VanDerWaalsContact C-N 3.33Å; K131-L133 PolarHBondContact O-N 3.29Å; L133-I136 PolarHBondContact O-N 2.97Å; L133-V137 VanDerWaalsContact O-CG2 3.32Å; L133-V137 WeakPolarHBondContact O-CG2 3.32Å; L133-V137 PolarHBondContact O-N 3.49Å; L133-I152 HydrophobicContact CB-CG2 4.25Å; L133-I152 HydrophobicContact CD2-CG2 3.64Å; L133-R156 HydrophobicContact CB-CB 4.19Å; L133-R156 HydrophobicContact CB-CG 4.25Å; L133-R156 HydrophobicContact CD1-CB 4.38Å; L133-L159 HydrophobicContact CD1-CD2 4.1Å
134G91.9Very high88.5Confident6 Ų637.5 Ų37.56%0.06219%0.19CC..Hα-helixtrans-64.8-45.3176.700000113.1G130 K131 A132 I136 V137 M138G130-G134 PolarHBondContact O-N 3.02Å; K131-G134 WeakPolarHBondContact O-CA 3.15Å; K131-G134 PolarHBondContact O-N 2.82Å; A132-G134 VanDerWaalsContact C-N 3.31Å; A132-G134 PolarHBondContact O-N 3.32Å; G134-I136 VanDerWaalsContact C-N 3.35Å; G134-I136 PolarHBondContact O-N 3.39Å; G134-V137 WeakPolarHBondContact O-CB 2.85Å; G134-V137 PolarHBondContact O-N 3.42Å; G134-M138 WeakPolarHBondContact O-CG 3.16Å; G134-M138 PolarHBondContact O-N 2.98Å; G134-M138 VanDerWaalsContact O-N 3.11Å
135E93Very high88.3Confident63 Ų6334.6 Ų34.629%0.29418%0.178SC..Hα-helixtrans-64.8-36.3175.2-71.9-70.7148.300112.5I100 N103 F115 K131 A132 M138 A139I100-E135 HydrophobicContact CG1-CG 4.37Å; N103-E135 PolarHBondContact ND2-O 3.08Å; N103-E135 PolarHBondContact ND2-OE2 2.93Å; F115-E135 HydrophobicContact CD1-CB 4.38Å; F115-E135 HydrophobicContact CD2-CB 3.98Å; F115-E135 HydrophobicContact CE1-CB 3.83Å; F115-E135 HydrophobicContact CE1-CG 3.98Å; F115-E135 HydrophobicContact CE2-CB 3.4Å; F115-E135 HydrophobicContact CE2-CG 4.2Å; F115-E135 HydrophobicContact CG-CB 4.44Å; F115-E135 HydrophobicContact CZ-CB 3.29Å; F115-E135 HydrophobicContact CZ-CG 3.59Å; K131-E135 PolarHBondContact O-N 3.19Å; A132-E135 PolarHBondContact O-N 3.4Å; E135-M138 PolarHBondContact O-N 3.43Å; E135-A139 WeakPolarHBondContact O-CB 2.85Å; E135-A139 PolarHBondContact O-N 2.9Å
136I93.5Very high88.1Confident4 Ų432.8 Ų32.82%0.02117%0.168CC..Hα-helixtrans-65.4-41.8173-66.9161.5000111I112 F115 E116 I119 A132 L133 G134 M138 A139 K140 I152I112-I136 HydrophobicContact CG1-CG2 4.31Å; I112-I136 HydrophobicContact CG2-CG2 4.4Å; F115-I136 HydrophobicContact CB-CD1 3.62Å; F115-I136 HydrophobicContact CB-CG1 3.6Å; F115-I136 HydrophobicContact CD2-CG1 4.04Å; F115-I136 HydrophobicContact CG-CG1 4.16Å; E116-I136 HydrophobicContact CG-CD1 4.01Å; I119-I136 HydrophobicContact CD1-CD1 3.97Å; A132-I136 WeakPolarHBondContact O-CD1 3.17Å; A132-I136 WeakPolarHBondContact O-CG1 3.22Å; A132-I136 PolarHBondContact O-N 3.38Å; L133-I136 PolarHBondContact O-N 2.97Å; G134-I136 VanDerWaalsContact C-N 3.35Å; G134-I136 PolarHBondContact O-N 3.39Å; I136-M138 VanDerWaalsContact C-N 3.29Å; I136-M138 PolarHBondContact O-N 3.44Å; I136-A139 PolarHBondContact O-N 3.18Å; I136-K140 HydrophobicContact CG2-CG 4.01Å; I136-K140 WeakPolarHBondContact O-CB 3.29Å; I136-K140 VanDerWaalsContact O-CG 3.31Å; I136-K140 WeakPolarHBondContact O-CG 3.44Å; I136-K140 PolarHBondContact O-N 3.38Å; I136-I152 HydrophobicContact CB-CG2 4.36Å; I136-I152 HydrophobicContact CG2-CD1 3.54Å; I136-I152 HydrophobicContact CG2-CG2 4.12Å
137V92.3Very high88Confident0 Ų034.2 Ų34.20%018%0.176CC..Hα-helixtrans-57.5-43.8174.5166.10000110.8L133 G134 R141 A149 I152 A153 M175 V179L133-V137 VanDerWaalsContact O-CG2 3.32Å; L133-V137 WeakPolarHBondContact O-CG2 3.32Å; L133-V137 PolarHBondContact O-N 3.49Å; G134-V137 WeakPolarHBondContact O-CB 2.85Å; G134-V137 PolarHBondContact O-N 3.42Å; V137-R141 WeakPolarHBondContact O-CB 3.26Å; V137-R141 WeakPolarHBondContact O-CG 3.16Å; V137-R141 PolarHBondContact O-N 3.44Å; V137-A149 HydrophobicContact CG1-CB 4.34Å; V137-I152 HydrophobicContact CG2-CB 3.93Å; V137-I152 HydrophobicContact CG2-CG2 3.76Å; V137-A153 HydrophobicContact CG1-CB 4.45Å; V137-A153 HydrophobicContact CG2-CB 3.92Å; V137-M175 HydrophobicContact CB-SD 3.96Å; V137-M175 HydrophobicContact CG1-CG 3.83Å; V137-M175 HydrophobicContact CG1-SD 3.86Å; V137-M175 HydrophobicContact CG2-SD 4.24Å; V137-V179 HydrophobicContact CG1-CG2 3.75Å
138M87.9Confident88.1Confident58 Ų5832.1 Ų32.129%0.28617%0.173SC..Hα-helixtrans-65.4-44.1177.1-66.3-58-75.600112.1G134 E135 I136 R141 A142 M175 D255 I256G134-M138 WeakPolarHBondContact O-CG 3.16Å; G134-M138 PolarHBondContact O-N 2.98Å; G134-M138 VanDerWaalsContact O-N 3.11Å; E135-M138 PolarHBondContact O-N 3.43Å; I136-M138 VanDerWaalsContact C-N 3.29Å; I136-M138 PolarHBondContact O-N 3.44Å; M138-R141 PolarHBondContact O-N 2.94Å; M138-A142 WeakPolarHBondContact O-CB 3.38Å; M138-A142 PolarHBondContact O-N 3.42Å; M138-M175 HydrophobicContact CG-CE 4.4Å; M138-D255 WeakPolarHBondContact CE-O 3.42Å; M138-I256 HydrophobicContact CE-CG1 4.1Å; M138-I256 HydrophobicContact SD-CD1 4.44Å; M138-I256 HydrophobicContact SD-CG1 3.81Å
139A88.8Confident88.2Confident0 Ų031.2 Ų31.20%017%0.168CC..Hα-helixtrans-61.8-46.1176.100000112.7N103 Y108 I112 E135 I136 R141 A142 L143N103-A139 WeakPolarHBondContact OD1-CB 3.09Å; Y108-A139 HydrophobicContact CD1-CB 4.22Å; I112-A139 HydrophobicContact CD1-CB 3.79Å; I112-A139 HydrophobicContact CG1-CB 3.61Å; E135-A139 WeakPolarHBondContact O-CB 2.85Å; E135-A139 PolarHBondContact O-N 2.9Å; I136-A139 PolarHBondContact O-N 3.18Å; A139-R141 PolarHBondContact O-N 2.92Å; A139-A142 PolarHBondContact O-N 3.37Å; A139-L143 WeakPolarHBondContact O-CG 3.09Å; A139-L143 PolarHBondContact O-N 3.16Å
140K89.2Confident88.4Confident42 Ų4231.6 Ų31.618%0.18317%0.169CC..Hα-helixtrans-66-35.4178-65.4-72.7-173.8-174.90112I112 I136 L143 G144 C145 A148 A149 I152I112-K140 HydrophobicContact CD1-CD 3.74Å; I112-K140 HydrophobicContact CD1-CG 4.13Å; I136-K140 HydrophobicContact CG2-CG 4.01Å; I136-K140 WeakPolarHBondContact O-CB 3.29Å; I136-K140 VanDerWaalsContact O-CG 3.31Å; I136-K140 WeakPolarHBondContact O-CG 3.44Å; I136-K140 PolarHBondContact O-N 3.38Å; K140-L143 PolarHBondContact O-N 2.87Å; K140-G144 PolarHBondContact O-N 2.71Å; K140-C145 PolarHBondContact O-N 2.87Å; K140-A148 HydrophobicContact CD-CB 4.32Å; K140-A149 HydrophobicContact CB-CB 4.01Å; K140-I152 HydrophobicContact CG-CD1 4.38Å
141R86.9Confident88.5Confident33 Ų3334.9 Ų34.913%0.12519%0.192CC..Hα-helixtrans-68.5-39.4172.3-74.7-179.669-111.21.5112.5V137 M138 A139 L143 G144 D146 A149 S182 I256 K257V137-R141 WeakPolarHBondContact O-CB 3.26Å; V137-R141 WeakPolarHBondContact O-CG 3.16Å; V137-R141 PolarHBondContact O-N 3.44Å; M138-R141 PolarHBondContact O-N 2.94Å; A139-R141 PolarHBondContact O-N 2.92Å; R141-L143 VanDerWaalsContact C-N 3.27Å; R141-L143 PolarHBondContact O-N 2.41Å; R141-G144 WeakPolarHBondContact O-CA 3.05Å; R141-G144 PolarHBondContact O-N 2.96Å; R141-D146 IonicContact NE-OD1 2.92Å; R141-A149 HydrophobicContact CG-CB 3.62Å; R141-S182 PolarHBondContact NE-OG 3.36Å; R141-I256 VanDerWaalsContact NH1-CG2 3.33Å; R141-K257 PolarHBondContact NH2-O 3.19Å
142A80.3Confident88.6Confident54 Ų5430.2 Ų30.245%0.44617%0.172SC..Hα-helixtrans-65.5-30.4174.800000113Y108 M138 A139 G144Y108-A142 HydrophobicContact CD1-CB 4.11Å; Y108-A142 HydrophobicContact CD2-CB 4.03Å; Y108-A142 HydrophobicContact CE1-CB 3.73Å; Y108-A142 HydrophobicContact CE2-CB 3.62Å; Y108-A142 HydrophobicContact CG-CB 4.26Å; Y108-A142 VanDerWaalsContact CZ-CB 3.46Å; M138-A142 WeakPolarHBondContact O-CB 3.38Å; M138-A142 PolarHBondContact O-N 3.42Å; A139-A142 PolarHBondContact O-N 3.37Å; A142-G144 VanDerWaalsContact C-N 3.26Å
143L80.6Confident88.7Confident45 Ų4530.2 Ų30.224%0.23617%0.172CC..THydrogen-bonded Turntrans-77.5-5.4169.3-68.5165.3000113.8Y108 N109 I112 A139 K140 R141 C145Y108-L143 HydrophobicContact CD2-CD2 4.21Å; Y108-L143 HydrophobicContact CD2-CG 4.27Å; Y108-L143 HydrophobicContact CG-CG 4.37Å; N109-L143 VanDerWaalsContact OD1-CD1 3.22Å; N109-L143 WeakPolarHBondContact OD1-CD1 3.46Å; I112-L143 HydrophobicContact CD1-CD1 3.7Å; A139-L143 WeakPolarHBondContact O-CG 3.09Å; A139-L143 PolarHBondContact O-N 3.16Å; K140-L143 PolarHBondContact O-N 2.87Å; R141-L143 VanDerWaalsContact C-N 3.27Å; R141-L143 PolarHBondContact O-N 2.41Å; L143-C145 VanDerWaalsContact C-N 3.3Å; L143-C145 PolarHBondContact O-N 3.15Å
144G77.6Confident88.7Confident22 Ų2234.2 Ų34.223%0.22719%0.186CC..THydrogen-bonded Turntrans777.4-179.100000115.6K140 R141 A142 D146 R260K140-G144 PolarHBondContact O-N 2.71Å; R141-G144 WeakPolarHBondContact O-CA 3.05Å; R141-G144 PolarHBondContact O-N 2.96Å; A142-G144 VanDerWaalsContact C-N 3.26Å; G144-D146 VanDerWaalsContact C-N 3.3Å; G144-D146 PolarHBondContact O-N 3.03Å; G144-D146 VanDerWaalsContact O-N 3.14Å; G144-R260 VanDerWaalsContact CA-NH1 3.29Å; G144-R260 PolarHBondContact O-NH1 3.12Å
145C82.4Confident88.8Confident14 Ų1438.6 Ų38.610%0.09521%0.205CC..  trans-87.757.5-177.7-59.30000111.7K140 L143 K147 A148 A149 C572K140-C145 PolarHBondContact O-N 2.87Å; L143-C145 VanDerWaalsContact C-N 3.3Å; L143-C145 PolarHBondContact O-N 3.15Å; C145-K147 VanDerWaalsContact C-N 3.3Å; C145-K147 PolarHBondContact O-N 3.24Å; C145-A148 HydrophobicContact CB-CB 4.41Å; C145-A148 WeakPolarHBondContact O-CB 3.31Å; C145-A148 PolarHBondContact O-N 2.99Å; C145-A149 PolarHBondContact O-N 3.27Å; C145-C572 WeakPolarHBondContact CB-SG 2.72Å; C145-C572 WeakPolarHBondContact SG-CB 3.37Å; C145-C572 CovalentContact SG-SG 2.04Å; C145-C572 PolarHBondContact SG-SG 3.46Å
146D83.7Confident88.8Confident12 Ų1236.3 Ų36.36%0.06419%0.194CC..Hα-helixtrans-57.1-33.5-170.3-75-77000114.6R141 G144 A148 A149 E150 S182 Q183 R260R141-D146 IonicContact NE-OD1 2.92Å; G144-D146 VanDerWaalsContact C-N 3.3Å; G144-D146 PolarHBondContact O-N 3.03Å; G144-D146 VanDerWaalsContact O-N 3.14Å; D146-A148 VanDerWaalsContact C-N 3.35Å; D146-A148 PolarHBondContact O-N 2.77Å; D146-A149 WeakPolarHBondContact O-CB 3.28Å; D146-A149 PolarHBondContact O-N 2.8Å; D146-E150 PolarHBondContact O-N 3.31Å; D146-S182 VanDerWaalsContact OD1-CB 3.28Å; D146-S182 WeakPolarHBondContact OD1-CB 3.34Å; D146-S182 PolarHBondContact OD1-OG 2.9Å; D146-Q183 HydrophobicContact CB-CG 3.74Å; D146-R260 IonicContact OD2-CZ 2.67Å; D146-R260 IonicContact OD2-NH1 2.82Å; D146-R260 PolarHBondContact OD2-NH1 3.46Å
147K86.5Confident88.8Confident120 Ų12037.1 Ų37.152%0.52220%0.199SC..Hα-helixtrans-61.9-40.4175.7-63.5173.7-173163.80112.5C145 E150 S151 D570C145-K147 VanDerWaalsContact C-N 3.3Å; C145-K147 PolarHBondContact O-N 3.24Å; K147-E150 PolarHBondContact O-N 3.49Å; K147-S151 PolarHBondContact O-N 3.42Å; K147-D570 IonicContact NZ-OD1 3.14Å; K147-D570 PolarHBondContact NZ-OD1 3.09Å; K147-D570 VanDerWaalsContact NZ-OD1 3.08Å; K147-D570 IonicContact NZ-OD2 3.73Å; K147-D570 PolarHBondContact NZ-OD2 2.8Å
148A87.8Confident88.7Confident35 Ų3539.9 Ų39.929%0.28922%0.222SC..Hα-helixtrans-70.2-40.2177.200000110.6K140 C145 D146 E150 S151 I152K140-A148 HydrophobicContact CD-CB 4.32Å; C145-A148 HydrophobicContact CB-CB 4.41Å; C145-A148 WeakPolarHBondContact O-CB 3.31Å; C145-A148 PolarHBondContact O-N 2.99Å; D146-A148 VanDerWaalsContact C-N 3.35Å; D146-A148 PolarHBondContact O-N 2.77Å; A148-E150 VanDerWaalsContact C-N 3.29Å; A148-E150 PolarHBondContact O-N 3.11Å; A148-S151 PolarHBondContact O-N 3.34Å; A148-I152 VanDerWaalsContact O-CG1 3.3Å; A148-I152 WeakPolarHBondContact O-CG1 3.27Å; A148-I152 PolarHBondContact O-N 3.16Å
149A91.4Very high88.8Confident0 Ų038.5 Ų38.50%022%0.215CC..Hα-helixtrans-59.9-37.5172.400000112.3V137 K140 R141 C145 D146 I152 A153 V179V137-A149 HydrophobicContact CG1-CB 4.34Å; K140-A149 HydrophobicContact CB-CB 4.01Å; R141-A149 HydrophobicContact CG-CB 3.62Å; C145-A149 PolarHBondContact O-N 3.27Å; D146-A149 WeakPolarHBondContact O-CB 3.28Å; D146-A149 PolarHBondContact O-N 2.8Å; A149-I152 PolarHBondContact O-N 2.91Å; A149-A153 VanDerWaalsContact O-CB 3.28Å; A149-A153 WeakPolarHBondContact O-CB 3.12Å; A149-A153 PolarHBondContact O-N 3.21Å; A149-V179 HydrophobicContact CB-CG1 3.8Å
150E93.6Very high88.9Confident23 Ų2338.7 Ų38.711%0.10722%0.216CC..Hα-helixtrans-64.1-46178.3-167.5-166.4130.500111.7D146 K147 A148 I152 A153 R154 L176 V179 L180 Q183 K185D146-E150 PolarHBondContact O-N 3.31Å; K147-E150 PolarHBondContact O-N 3.49Å; A148-E150 VanDerWaalsContact C-N 3.29Å; A148-E150 PolarHBondContact O-N 3.11Å; E150-I152 VanDerWaalsContact C-N 3.29Å; E150-I152 PolarHBondContact O-N 3.39Å; E150-A153 PolarHBondContact O-N 2.82Å; E150-R154 WeakPolarHBondContact O-CG 3.35Å; E150-R154 PolarHBondContact O-N 3.05Å; E150-R154 IonicContact OE1-CZ 3.9Å; E150-R154 IonicContact OE1-NE 3.01Å; E150-R154 PolarHBondContact OE1-NE 3.12Å; E150-R154 IonicContact OE1-NH2 2.69Å; E150-R154 PolarHBondContact OE1-NH2 2.79Å; E150-L176 HydrophobicContact CG-CD1 4.08Å; E150-V179 HydrophobicContact CB-CG1 4.05Å; E150-L180 HydrophobicContact CG-CD2 3.97Å; E150-Q183 PolarHBondContact OE2-NE2 2.94Å; E150-Q183 PolarHBondContact OE2-OE1 3.07Å; E150-K185 IonicContact OE1-NZ 3.12Å; E150-K185 PolarHBondContact OE1-NZ 3.4Å; E150-K185 WeakPolarHBondContact OE2-CE 3.42Å; E150-K185 IonicContact OE2-NZ 2.71Å; E150-K185 PolarHBondContact OE2-NZ 3.44Å
151S93Very high88.7Confident68 Ų6841.7 Ų41.748%0.47623%0.231SC..Hα-helixtrans-55.9-45.1176.7-1790000111.8K147 A148 R154 Q155K147-S151 PolarHBondContact O-N 3.42Å; A148-S151 PolarHBondContact O-N 3.34Å; S151-R154 PolarHBondContact O-N 3.34Å; S151-Q155 WeakPolarHBondContact O-CG 3.47Å; S151-Q155 PolarHBondContact O-N 2.74Å; S151-Q155 VanDerWaalsContact O-N 3.09Å; S151-Q155 PolarHBondContact O-NE2 2.82Å; S151-Q155 PolarHBondContact OG-NE2 3.21Å
152I93.5Very high87.9Confident22 Ų2249.1 Ų49.111%0.11326%0.259CS..Hα-helixtrans-75.8-34.9-176.1-59.9172.9000110.9L133 I136 V137 K140 A148 A149 E150 Q155 R156L133-I152 HydrophobicContact CB-CG2 4.25Å; L133-I152 HydrophobicContact CD2-CG2 3.64Å; I136-I152 HydrophobicContact CB-CG2 4.36Å; I136-I152 HydrophobicContact CG2-CD1 3.54Å; I136-I152 HydrophobicContact CG2-CG2 4.12Å; V137-I152 HydrophobicContact CG2-CB 3.93Å; V137-I152 HydrophobicContact CG2-CG2 3.76Å; K140-I152 HydrophobicContact CG-CD1 4.38Å; A148-I152 VanDerWaalsContact O-CG1 3.3Å; A148-I152 WeakPolarHBondContact O-CG1 3.27Å; A148-I152 PolarHBondContact O-N 3.16Å; A149-I152 PolarHBondContact O-N 2.91Å; E150-I152 VanDerWaalsContact C-N 3.29Å; E150-I152 PolarHBondContact O-N 3.39Å; I152-Q155 WeakPolarHBondContact O-CB 3.4Å; I152-Q155 PolarHBondContact O-N 2.82Å; I152-R156 PolarHBondContact O-N 3Å
153A94Very high87.5Confident0 Ų048.7 Ų48.70%025%0.253CS..Hα-helixtrans-64.9-41.4171.700000111.9V137 A149 E150 Q155 R156 V157 L176 V179V137-A153 HydrophobicContact CG1-CB 4.45Å; V137-A153 HydrophobicContact CG2-CB 3.92Å; A149-A153 VanDerWaalsContact O-CB 3.28Å; A149-A153 WeakPolarHBondContact O-CB 3.12Å; A149-A153 PolarHBondContact O-N 3.21Å; E150-A153 PolarHBondContact O-N 2.82Å; A153-Q155 VanDerWaalsContact C-N 3.31Å; A153-Q155 PolarHBondContact O-N 3.47Å; A153-R156 PolarHBondContact O-N 3.01Å; A153-V157 WeakPolarHBondContact O-CG2 3.29Å; A153-V157 PolarHBondContact O-N 3.3Å; A153-L176 HydrophobicContact CB-CB 4.2Å; A153-L176 HydrophobicContact CB-CD1 3.93Å; A153-V179 HydrophobicContact CB-CG2 4.15Å
154R94.8Very high86.9Confident97 Ų9750.3 Ų50.337%0.36628%0.28SS..Hα-helixtrans-62.9-36.4173.7-69.7-177.3-169.1-89.18.8111.9E150 S151 V157 A158 L176 E188E150-R154 WeakPolarHBondContact O-CG 3.35Å; E150-R154 PolarHBondContact O-N 3.05Å; E150-R154 IonicContact OE1-CZ 3.9Å; E150-R154 IonicContact OE1-NE 3.01Å; E150-R154 PolarHBondContact OE1-NE 3.12Å; E150-R154 IonicContact OE1-NH2 2.69Å; E150-R154 PolarHBondContact OE1-NH2 2.79Å; S151-R154 PolarHBondContact O-N 3.34Å; R154-V157 PolarHBondContact O-N 3.31Å; R154-A158 PolarHBondContact O-N 2.86Å; R154-A158 VanDerWaalsContact O-N 3.11Å; R154-L176 HydrophobicContact CG-CD1 3.7Å; R154-L176 HydrophobicContact CG-CD2 3.86Å; R154-L176 HydrophobicContact CG-CG 4.48Å; R154-E188 IonicContact CZ-OE2 3.29Å; R154-E188 IonicContact NH2-OE2 2.71Å; R154-E188 PolarHBondContact NH2-OE2 3.33Å
155Q93.1Very high87.1Confident99 Ų9951.6 Ų51.646%0.46328%0.282SS..Hα-helixtrans-63.6-43.7171.1-68.616851.500112.3S151 I152 A153 V157 A158 L159S151-Q155 WeakPolarHBondContact O-CG 3.47Å; S151-Q155 PolarHBondContact O-N 2.74Å; S151-Q155 VanDerWaalsContact O-N 3.09Å; S151-Q155 PolarHBondContact O-NE2 2.82Å; S151-Q155 PolarHBondContact OG-NE2 3.21Å; I152-Q155 WeakPolarHBondContact O-CB 3.4Å; I152-Q155 PolarHBondContact O-N 2.82Å; A153-Q155 VanDerWaalsContact C-N 3.31Å; A153-Q155 PolarHBondContact O-N 3.47Å; Q155-V157 PolarHBondContact O-N 3.16Å; Q155-A158 PolarHBondContact O-N 3.06Å; Q155-L159 WeakPolarHBondContact O-CB 3.35Å; Q155-L159 PolarHBondContact O-N 3.37Å
156R93.8Very high87.2Confident15 Ų1554.6 Ų54.66%0.05729%0.293CS..Hα-helixtrans-60.8-42.5176.2-161-166.9174.3-144.4-14.2111.7G130 L133 I152 A153 L159 F160 D168 E171 S172G130-R156 WeakPolarHBondContact O-CD 3.32Å; G130-R156 PolarHBondContact O-NE 3.09Å; L133-R156 HydrophobicContact CB-CB 4.19Å; L133-R156 HydrophobicContact CB-CG 4.25Å; L133-R156 HydrophobicContact CD1-CB 4.38Å; I152-R156 PolarHBondContact O-N 3Å; A153-R156 PolarHBondContact O-N 3.01Å; R156-L159 WeakPolarHBondContact O-CB 3.32Å; R156-L159 PolarHBondContact O-N 3.15Å; R156-F160 HydrophobicContact CG-CD2 4.19Å; R156-F160 HydrophobicContact CG-CE2 4.04Å; R156-F160 WeakPolarHBondContact O-CD2 3.47Å; R156-F160 PolarHBondContact O-N 2.87Å; R156-D168 IonicContact NH2-OD1 3.05Å; R156-D168 PolarHBondContact NH2-OD1 2.79Å; R156-E171 IonicContact NH2-OE2 3.81Å; R156-E171 PolarHBondContact NH2-OE2 2.92Å; R156-S172 VanDerWaalsContact CD-OG 3.3Å; R156-S172 WeakPolarHBondContact CD-OG 3.42Å; R156-S172 WeakPolarHBondContact CG-OG 3.31Å; R156-S172 PolarHBondContact NE-OG 3.48Å
157V92.9Very high87.3Confident20 Ų2057.7 Ų57.712%0.12131%0.312CS..Hα-helixtrans-59.7-50.4175.1173.10000111.3A153 R154 Q155 L159 F160 E161 S172 V173 L176A153-V157 WeakPolarHBondContact O-CG2 3.29Å; A153-V157 PolarHBondContact O-N 3.3Å; R154-V157 PolarHBondContact O-N 3.31Å; Q155-V157 PolarHBondContact O-N 3.16Å; V157-L159 PolarHBondContact O-N 3.44Å; V157-F160 PolarHBondContact O-N 2.97Å; V157-F160 VanDerWaalsContact O-N 3.11Å; V157-E161 WeakPolarHBondContact O-CB 3.06Å; V157-E161 PolarHBondContact O-N 3.45Å; V157-S172 WeakPolarHBondContact CG2-O 3.39Å; V157-V173 HydrophobicContact CG1-CG2 4.21Å; V157-V173 HydrophobicContact CG2-CG2 4.25Å; V157-L176 HydrophobicContact CG2-CB 4.18Å; V157-L176 HydrophobicContact CG2-CD2 4.07Å
158A91.4Very high87.3Confident58 Ų5852.7 Ų52.748%0.47929%0.291SS..Hα-helixtrans-62.8-29.1179.100000113.3R154 Q155 F160R154-A158 PolarHBondContact O-N 2.86Å; R154-A158 VanDerWaalsContact O-N 3.11Å; Q155-A158 PolarHBondContact O-N 3.06Å; A158-F160 VanDerWaalsContact C-N 3.32Å; A158-F160 PolarHBondContact O-N 3.37Å
159L90.6Very high87.4Confident29 Ų2953 Ų5315%0.15229%0.285CS..Hα-helixtrans-66.8-31.4175.4-173.366.2000112.7R126 V129 L133 Q155 R156 V157R126-L159 HydrophobicContact CB-CD1 4.22Å; R126-L159 HydrophobicContact CB-CG 4.41Å; R126-L159 HydrophobicContact CG-CD1 4.1Å; R126-L159 PolarHBondContact NE-O 2.92Å; R126-L159 PolarHBondContact NH2-O 2.9Å; R126-L159 WeakPolarHBondContact O-CD2 3.26Å; V129-L159 HydrophobicContact CB-CD2 4.12Å; V129-L159 HydrophobicContact CG1-CD2 3.88Å; L133-L159 HydrophobicContact CD1-CD2 4.1Å; Q155-L159 WeakPolarHBondContact O-CB 3.35Å; Q155-L159 PolarHBondContact O-N 3.37Å; R156-L159 WeakPolarHBondContact O-CB 3.32Å; R156-L159 PolarHBondContact O-N 3.15Å; V157-L159 PolarHBondContact O-N 3.44Å
160F90.2Very high87.4Confident5 Ų553.1 Ų53.12%0.02229%0.285CS..Hα-helixtrans-105.3-25.1-175.9-69.5-66.7000115.3R156 V157 A158 R162 S163 D168 W169R156-F160 HydrophobicContact CG-CD2 4.19Å; R156-F160 HydrophobicContact CG-CE2 4.04Å; R156-F160 WeakPolarHBondContact O-CD2 3.47Å; R156-F160 PolarHBondContact O-N 2.87Å; V157-F160 PolarHBondContact O-N 2.97Å; V157-F160 VanDerWaalsContact O-N 3.11Å; A158-F160 VanDerWaalsContact C-N 3.32Å; A158-F160 PolarHBondContact O-N 3.37Å; F160-R162 PolarHBondContact O-N 3.09Å; F160-S163 VanDerWaalsContact O-CB 3.31Å; F160-S163 WeakPolarHBondContact O-CB 3.16Å; F160-S163 PolarHBondContact O-N 2.74Å; F160-S163 PolarHBondContact O-OG 2.72Å; F160-D168 HydrophobicContact CB-CB 4.48Å; F160-D168 HydrophobicContact CD1-CB 3.48Å; F160-D168 VanDerWaalsContact CD1-CB 3.48Å; F160-D168 HydrophobicContact CD2-CB 3.86Å; F160-D168 HydrophobicContact CE1-CB 3.45Å; F160-D168 VanDerWaalsContact CE1-CB 3.45Å; F160-D168 HydrophobicContact CE2-CB 3.82Å; F160-D168 HydrophobicContact CG-CB 3.69Å; F160-D168 HydrophobicContact CZ-CB 3.61Å; F160-W169 HydrophobicContact CB-CB 3.83Å
161E84.6Confident87.2Confident104 Ų10455.9 Ų55.949%0.48630%0.298SS..Hα-helixtrans-45.8-39.1179.8-178.6-168.9-116.100113.9V157 W169V157-E161 WeakPolarHBondContact O-CB 3.06Å; V157-E161 PolarHBondContact O-N 3.45Å; E161-W169 VanDerWaalsContact CA-CD1 3.43Å
162R69.9Low87.1Confident190 Ų19052.6 Ų52.672%0.71728%0.276SS*.THydrogen-bonded Turntrans-108.514.2-177.3-53.3-177-167.3177.11.5113.9F160F160-R162 PolarHBondContact O-N 3.09Å
163S71.2Confident87.1Confident45 Ų4551.8 Ų51.832%0.31527%0.271SS..SBendtrans-91.4-13.1-170.671.70000115F160 N165F160-S163 VanDerWaalsContact O-CB 3.31Å; F160-S163 WeakPolarHBondContact O-CB 3.16Å; F160-S163 PolarHBondContact O-N 2.74Å; F160-S163 PolarHBondContact O-OG 2.72Å; S163-N165 PolarHBondContact O-N 2.98Å; S163-N165 PolarHBondContact OG-N 3.5Å
164G68.9Low86.9Confident78 Ų7852.8 Ų52.880%0.80428%0.276SS*.SBendtrans76.8-16.6-168.800000114.4K166G164-K166 PolarHBondContact O-N 3.06Å
165N81Confident86.7Confident50 Ų5049 Ų4927%0.26726%0.263SS..  trans-79.688.1175.7-177-12.8000110.4S163 V167 D168 W169S163-N165 PolarHBondContact O-N 2.98Å; S163-N165 PolarHBondContact OG-N 3.5Å; N165-V167 PolarHBondContact O-N 3.21Å; N165-V167 PolarHBondContact OD1-N 3.37Å; N165-D168 PolarHBondContact ND2-OD2 2.81Å; N165-D168 PolarHBondContact OD1-N 3.14Å; N165-D168 VanDerWaalsContact OD1-N 3.07Å; N165-W169 WeakPolarHBondContact O-CB 3.4Å; N165-W169 PolarHBondContact O-N 3.32Å
166K85.3Confident86.8Confident77 Ų7744.6 Ų44.634%0.33524%0.243SC..Hα-helixtrans-56.5-35.4178.4-162.7-175-169.5-172.80112.1G164 L170 E199 E207G164-K166 PolarHBondContact O-N 3.06Å; K166-L170 HydrophobicContact CD-CD1 4.44Å; K166-L170 HydrophobicContact CG-CD1 4.01Å; K166-L170 HydrophobicContact CG-CG 4.28Å; K166-L170 WeakPolarHBondContact O-CB 3.4Å; K166-L170 VanDerWaalsContact O-CG 3.25Å; K166-L170 WeakPolarHBondContact O-CG 3.37Å; K166-L170 PolarHBondContact O-N 3.36Å; K166-E199 WeakPolarHBondContact CE-O 3.38Å; K166-E199 PolarHBondContact NZ-O 3.08Å; K166-E207 IonicContact NZ-OE1 2.77Å; K166-E207 PolarHBondContact NZ-OE1 3.43Å
167V86.2Confident86.7Confident76 Ų7643.9 Ų43.946%0.46124%0.24SC..Hα-helixtrans-66-60.8-176.61690000111.7N165 W169 L170 E171 I206N165-V167 PolarHBondContact O-N 3.21Å; N165-V167 PolarHBondContact OD1-N 3.37Å; V167-W169 PolarHBondContact O-N 3.21Å; V167-L170 PolarHBondContact O-N 2.93Å; V167-E171 WeakPolarHBondContact O-CG 3.3Å; V167-E171 PolarHBondContact O-N 3.31Å; V167-I206 HydrophobicContact CB-CD1 4.43Å; V167-I206 HydrophobicContact CG1-CD1 3.74Å; V167-I206 HydrophobicContact CG2-CD1 4.41Å
168D86.6Confident86.6Confident15 Ų1543.1 Ų43.18%0.0824%0.235CC..Hα-helixtrans-61.9-29.8179.8-88.4-82.6000112.1Q127 R156 F160 N165 S172Q127-D168 VanDerWaalsContact NE2-CG 3.35Å; Q127-D168 PolarHBondContact NE2-OD1 2.64Å; Q127-D168 PolarHBondContact NE2-OD2 3.31Å; R156-D168 IonicContact NH2-OD1 3.05Å; R156-D168 PolarHBondContact NH2-OD1 2.79Å; F160-D168 HydrophobicContact CB-CB 4.48Å; F160-D168 HydrophobicContact CD1-CB 3.48Å; F160-D168 VanDerWaalsContact CD1-CB 3.48Å; F160-D168 HydrophobicContact CD2-CB 3.86Å; F160-D168 HydrophobicContact CE1-CB 3.45Å; F160-D168 VanDerWaalsContact CE1-CB 3.45Å; F160-D168 HydrophobicContact CE2-CB 3.82Å; F160-D168 HydrophobicContact CG-CB 3.69Å; F160-D168 HydrophobicContact CZ-CB 3.61Å; N165-D168 PolarHBondContact ND2-OD2 2.81Å; N165-D168 PolarHBondContact OD1-N 3.14Å; N165-D168 VanDerWaalsContact OD1-N 3.07Å; D168-S172 WeakPolarHBondContact O-CB 3.44Å; D168-S172 PolarHBondContact O-N 2.99Å; D168-S172 PolarHBondContact O-OG 2.88Å
169W90.3Very high86.5Confident41 Ų4140.4 Ų40.416%0.15521%0.213CC..Hα-helixtrans-66.5-52.517417756.6000112.2F160 E161 N165 V167 E171 S172 V173 V196 E199F160-W169 HydrophobicContact CB-CB 3.83Å; E161-W169 VanDerWaalsContact CA-CD1 3.43Å; N165-W169 WeakPolarHBondContact O-CB 3.4Å; N165-W169 PolarHBondContact O-N 3.32Å; V167-W169 PolarHBondContact O-N 3.21Å; W169-E171 VanDerWaalsContact C-N 3.33Å; W169-E171 PolarHBondContact O-N 2.77Å; W169-S172 WeakPolarHBondContact O-CB 3.36Å; W169-S172 PolarHBondContact O-N 3.29Å; W169-S172 VanDerWaalsContact O-N 3.09Å; W169-V173 WeakPolarHBondContact O-CG2 3.41Å; W169-V173 PolarHBondContact O-N 3.37Å; W169-V196 HydrophobicContact CH2-CB 4.03Å; W169-V196 HydrophobicContact CH2-CG1 3.49Å; W169-V196 VanDerWaalsContact CH2-CG1 3.49Å; W169-V196 HydrophobicContact CZ2-CB 4.48Å; W169-V196 HydrophobicContact CZ2-CG1 3.46Å; W169-V196 VanDerWaalsContact CZ2-CG1 3.46Å; W169-V196 HydrophobicContact CZ3-CG1 4.23Å; W169-E199 HydrophobicContact CH2-CB 4.46Å; W169-E199 HydrophobicContact CH2-CG 4.14Å; W169-E199 HydrophobicContact CZ3-CB 4.33Å; W169-E199 HydrophobicContact CZ3-CG 4.44Å
170L90.7Very high86.6Confident3 Ų339 Ų392%0.01621%0.205CC..Hα-helixtrans-64-36.5179.1-69.4-177.9000112K166 V167 V173 I174 V196 L200 I206 E207 I210K166-L170 HydrophobicContact CD-CD1 4.44Å; K166-L170 HydrophobicContact CG-CD1 4.01Å; K166-L170 HydrophobicContact CG-CG 4.28Å; K166-L170 WeakPolarHBondContact O-CB 3.4Å; K166-L170 VanDerWaalsContact O-CG 3.25Å; K166-L170 WeakPolarHBondContact O-CG 3.37Å; K166-L170 PolarHBondContact O-N 3.36Å; V167-L170 PolarHBondContact O-N 2.93Å; L170-V173 PolarHBondContact O-N 3.04Å; L170-I174 WeakPolarHBondContact O-CG1 3.16Å; L170-I174 PolarHBondContact O-N 3.43Å; L170-V196 HydrophobicContact CD2-CB 4.07Å; L170-V196 HydrophobicContact CD2-CG1 4.39Å; L170-V196 HydrophobicContact CD2-CG2 4.03Å; L170-L200 HydrophobicContact CD1-CD2 4.1Å; L170-L200 HydrophobicContact CD2-CD2 3.91Å; L170-I206 HydrophobicContact CB-CG2 3.69Å; L170-I206 HydrophobicContact CD1-CG2 4.35Å; L170-E207 HydrophobicContact CD1-CG 4Å; L170-I210 HydrophobicContact CB-CD1 3.92Å; L170-I210 HydrophobicContact CD1-CD1 4.32Å; L170-I210 HydrophobicContact CD2-CD1 3.72Å; L170-I210 HydrophobicContact CG-CD1 4.18Å
171E89.1Confident86.6Confident81 Ų8138.8 Ų38.838%0.37920%0.204SC..Hα-helixtrans-61.2-41.9170.1-74.7-175.7-174.100112.8R156 V167 W169 V173 I174 M175 I206R156-E171 IonicContact NH2-OE2 3.81Å; R156-E171 PolarHBondContact NH2-OE2 2.92Å; V167-E171 WeakPolarHBondContact O-CG 3.3Å; V167-E171 PolarHBondContact O-N 3.31Å; W169-E171 VanDerWaalsContact C-N 3.33Å; W169-E171 PolarHBondContact O-N 2.77Å; E171-V173 VanDerWaalsContact C-N 3.28Å; E171-V173 PolarHBondContact O-N 3.49Å; E171-I174 PolarHBondContact O-N 3.02Å; E171-M175 WeakPolarHBondContact O-CB 3.4Å; E171-M175 PolarHBondContact O-N 2.87Å; E171-I206 HydrophobicContact CG-CD1 4.28Å
172S91.4Very high86.5Confident0 Ų034.5 Ų34.50%019%0.186CC..Hα-helixtrans-65.6-34.5177.9-59.60000111.7R156 V157 D168 W169 L176R156-S172 VanDerWaalsContact CD-OG 3.3Å; R156-S172 WeakPolarHBondContact CD-OG 3.42Å; R156-S172 WeakPolarHBondContact CG-OG 3.31Å; R156-S172 PolarHBondContact NE-OG 3.48Å; V157-S172 WeakPolarHBondContact CG2-O 3.39Å; D168-S172 WeakPolarHBondContact O-CB 3.44Å; D168-S172 PolarHBondContact O-N 2.99Å; D168-S172 PolarHBondContact O-OG 2.88Å; W169-S172 WeakPolarHBondContact O-CB 3.36Å; W169-S172 PolarHBondContact O-N 3.29Å; W169-S172 VanDerWaalsContact O-N 3.09Å; S172-L176 WeakPolarHBondContact O-CB 3.48Å; S172-L176 PolarHBondContact O-N 3.48Å
173V92.5Very high87.4Confident4 Ų428 Ų282%0.02416%0.164CC..Hα-helixtrans-68.2-46.3174.41650000111.4V157 W169 L170 E171 M175 L176 S177 V192 L193 V196V157-V173 HydrophobicContact CG1-CG2 4.21Å; V157-V173 HydrophobicContact CG2-CG2 4.25Å; W169-V173 WeakPolarHBondContact O-CG2 3.41Å; W169-V173 PolarHBondContact O-N 3.37Å; L170-V173 PolarHBondContact O-N 3.04Å; E171-V173 VanDerWaalsContact C-N 3.28Å; E171-V173 PolarHBondContact O-N 3.49Å; V173-M175 VanDerWaalsContact C-N 3.32Å; V173-M175 PolarHBondContact O-N 3.09Å; V173-L176 PolarHBondContact O-N 3.19Å; V173-S177 PolarHBondContact O-N 3.2Å; V173-V192 HydrophobicContact CG1-CG1 3.94Å; V173-L193 HydrophobicContact CG1-CD2 3.95Å; V173-V196 HydrophobicContact CG1-CG1 4.09Å; V173-V196 HydrophobicContact CG1-CG2 3.95Å; V173-V196 HydrophobicContact CG2-CG1 4.07Å
174I90.7Very high88.1Confident21 Ų2128 Ų2811%0.10816%0.159CC..Hα-helixtrans-56.3-46.9172-69.1165.6000110.7L170 E171 S177 H178 I206 K209 I210 L213L170-I174 WeakPolarHBondContact O-CG1 3.16Å; L170-I174 PolarHBondContact O-N 3.43Å; E171-I174 PolarHBondContact O-N 3.02Å; I174-S177 PolarHBondContact O-N 3.05Å; I174-H178 PolarHBondContact O-CD2 3.21Å; I174-H178 PolarHBondContact O-N 2.99Å; I174-I206 HydrophobicContact CD1-CG2 3.82Å; I174-K209 HydrophobicContact CD1-CB 4.37Å; I174-I210 HydrophobicContact CD1-CD1 4.3Å; I174-I210 HydrophobicContact CD1-CG1 3.81Å; I174-I210 HydrophobicContact CG1-CD1 4.15Å; I174-I210 HydrophobicContact CG1-CG1 3.56Å; I174-L213 HydrophobicContact CG2-CD2 4.19Å
175M91.1Very high89.1Confident17 Ų1727 Ų278%0.08413%0.132CC..Hα-helixtrans-59.3-48.5178.5175.5175.4-84.900111.6V137 M138 E171 V173 H178 V179 I256V137-M175 HydrophobicContact CB-SD 3.96Å; V137-M175 HydrophobicContact CG1-CG 3.83Å; V137-M175 HydrophobicContact CG1-SD 3.86Å; V137-M175 HydrophobicContact CG2-SD 4.24Å; M138-M175 HydrophobicContact CG-CE 4.4Å; E171-M175 WeakPolarHBondContact O-CB 3.4Å; E171-M175 PolarHBondContact O-N 2.87Å; V173-M175 VanDerWaalsContact C-N 3.32Å; V173-M175 PolarHBondContact O-N 3.09Å; M175-H178 PolarHBondContact O-N 3.39Å; M175-V179 WeakPolarHBondContact O-CG2 3.46Å; M175-V179 PolarHBondContact O-N 2.87Å; M175-I256 HydrophobicContact CB-CD1 4.15Å; M175-I256 HydrophobicContact CG-CD1 4.27Å
176L94.2Very high89.6Confident7 Ų724.8 Ų24.84%0.03712%0.12CC..Hα-helixtrans-60.7-46.3177.1177.358.3000112E150 A153 R154 V157 S172 V173 H178 V179 L180 V192E150-L176 HydrophobicContact CG-CD1 4.08Å; A153-L176 HydrophobicContact CB-CB 4.2Å; A153-L176 HydrophobicContact CB-CD1 3.93Å; R154-L176 HydrophobicContact CG-CD1 3.7Å; R154-L176 HydrophobicContact CG-CD2 3.86Å; R154-L176 HydrophobicContact CG-CG 4.48Å; V157-L176 HydrophobicContact CG2-CB 4.18Å; V157-L176 HydrophobicContact CG2-CD2 4.07Å; S172-L176 WeakPolarHBondContact O-CB 3.48Å; S172-L176 PolarHBondContact O-N 3.48Å; V173-L176 PolarHBondContact O-N 3.19Å; L176-H178 VanDerWaalsContact C-N 3.29Å; L176-H178 PolarHBondContact O-N 3.15Å; L176-V179 PolarHBondContact O-N 3.5Å; L176-L180 HydrophobicContact CD1-CD1 4.11Å; L176-L180 HydrophobicContact CD1-CG 4.13Å; L176-L180 HydrophobicContact CG-CD1 3.94Å; L176-L180 HydrophobicContact CG-CG 4.43Å; L176-L180 WeakPolarHBondContact O-CG 3.44Å; L176-L180 PolarHBondContact O-N 3.29Å; L176-V192 HydrophobicContact CB-CG1 4.45Å; L176-V192 HydrophobicContact CD2-CG1 4.04Å; L176-V192 HydrophobicContact CD2-CG2 4.13Å; L176-V192 HydrophobicContact CG-CG1 4.25Å
177S92.6Very high89.9Confident0 Ų024.8 Ų24.80%012%0.124CC..Hα-helixtrans-60.2-37.8176.5-72.50000112.5V173 I174 V179 L180 L181 A189 V192 L193V173-S177 PolarHBondContact O-N 3.2Å; I174-S177 PolarHBondContact O-N 3.05Å; S177-V179 VanDerWaalsContact C-N 3.35Å; S177-V179 PolarHBondContact O-N 3.14Å; S177-L180 PolarHBondContact O-N 3Å; S177-L181 WeakPolarHBondContact O-CG 3.31Å; S177-L181 PolarHBondContact O-N 3.35Å; S177-A189 PolarHBondContact OG-O 2.91Å; S177-V192 WeakPolarHBondContact OG-CG1 3.32Å; S177-L193 WeakPolarHBondContact OG-CD2 3.18Å; S177-L193 WeakPolarHBondContact OG-CG 3.2Å
178H90.1Very high90.2Very high4 Ų424.3 Ų24.32%0.01912%0.117CC..Hα-helixtrans-68.8-26.2173.1-78.6-55.9000114.2I174 M175 L176 S182 L251 S253 I256 Q258I174-H178 PolarHBondContact O-CD2 3.21Å; I174-H178 PolarHBondContact O-N 2.99Å; M175-H178 PolarHBondContact O-N 3.39Å; L176-H178 VanDerWaalsContact C-N 3.29Å; L176-H178 PolarHBondContact O-N 3.15Å; H178-S182 PolarHBondContact O-N 3.21Å; H178-S182 PolarHBondContact O-OG 2.99Å; H178-L251 PolarHBondContact CE1-O 2.94Å; H178-S253 PolarHBondContact NE2-OG 3.11Å; H178-I256 HydrophobicContact CB-CB 4.39Å; H178-I256 HydrophobicContact CB-CD1 4.18Å; H178-I256 HydrophobicContact CB-CG2 3.52Å; H178-Q258 PolarHBondContact ND1-NE2 3.47Å; H178-Q258 PolarHBondContact O-NE2 3.26Å
179V90.3Very high90.5Very high1 Ų123.6 Ų23.61%0.00611%0.113CC..Hα-helixtrans-79-33.8173.7-171.60000111.9V137 A149 E150 A153 M175 L176 S177 S182 Q183V137-V179 HydrophobicContact CG1-CG2 3.75Å; A149-V179 HydrophobicContact CB-CG1 3.8Å; E150-V179 HydrophobicContact CB-CG1 4.05Å; A153-V179 HydrophobicContact CB-CG2 4.15Å; M175-V179 WeakPolarHBondContact O-CG2 3.46Å; M175-V179 PolarHBondContact O-N 2.87Å; L176-V179 PolarHBondContact O-N 3.5Å; S177-V179 VanDerWaalsContact C-N 3.35Å; S177-V179 PolarHBondContact O-N 3.14Å; V179-S182 PolarHBondContact O-N 2.69Å; V179-S182 PolarHBondContact O-OG 3.14Å; V179-Q183 PolarHBondContact O-NE2 3.41Å
180L92.1Very high90.7Very high0 Ų021.9 Ų21.90%011%0.107CC..Hα-helixtrans-68-40.4172.3-66.8167.2000110.3E150 L176 S177 S182 Q183 K185 E188 A189 V192E150-L180 HydrophobicContact CG-CD2 3.97Å; L176-L180 HydrophobicContact CD1-CD1 4.11Å; L176-L180 HydrophobicContact CD1-CG 4.13Å; L176-L180 HydrophobicContact CG-CD1 3.94Å; L176-L180 HydrophobicContact CG-CG 4.43Å; L176-L180 WeakPolarHBondContact O-CG 3.44Å; L176-L180 PolarHBondContact O-N 3.29Å; S177-L180 PolarHBondContact O-N 3Å; L180-S182 PolarHBondContact O-N 2.99Å; L180-Q183 PolarHBondContact O-N 3.09Å; L180-K185 HydrophobicContact CB-CB 4.25Å; L180-K185 HydrophobicContact CD2-CB 4.48Å; L180-K185 HydrophobicContact CD2-CD 3.61Å; L180-K185 WeakPolarHBondContact O-CB 3.35Å; L180-K185 PolarHBondContact O-N 3.02Å; L180-E188 HydrophobicContact CD1-CB 4.08Å; L180-E188 HydrophobicContact CD2-CB 4.2Å; L180-A189 HydrophobicContact CB-CB 3.76Å; L180-V192 HydrophobicContact CD1-CB 4.41Å; L180-V192 HydrophobicContact CD1-CG2 3.8Å
181L89.3Confident90.8Very high0 Ų027.1 Ų27.10%013%0.132CC..Hα-helixtrans-55.9-47.8171.8-79.3176.3000112.6S177 Q183 E184 Y186 A189 I217 F247 L251 L261S177-L181 WeakPolarHBondContact O-CG 3.31Å; S177-L181 PolarHBondContact O-N 3.35Å; L181-Q183 PolarHBondContact O-N 3.34Å; L181-E184 WeakPolarHBondContact O-CA 3.41Å; L181-E184 PolarHBondContact O-N 3.35Å; L181-Y186 HydrophobicContact CD2-CD1 3.97Å; L181-Y186 HydrophobicContact CD2-CE1 4.27Å; L181-A189 HydrophobicContact CD2-CB 4.3Å; L181-A189 HydrophobicContact CG-CB 4.14Å; L181-I217 HydrophobicContact CD1-CD1 3.86Å; L181-I217 HydrophobicContact CD1-CG1 3.89Å; L181-I217 HydrophobicContact CD2-CD1 4.22Å; L181-I217 HydrophobicContact CD2-CG1 4.02Å; L181-I217 HydrophobicContact CD2-CG2 4.23Å; L181-I217 HydrophobicContact CG-CD1 4.09Å; L181-I217 HydrophobicContact CG-CG1 4.29Å; L181-F247 HydrophobicContact CD2-CE1 4.44Å; L181-L251 HydrophobicContact CD1-CD2 4.15Å; L181-L261 VanDerWaalsContact O-CD1 3.24Å; L181-L261 WeakPolarHBondContact O-CD1 3.29Å
182S83.8Confident91Very high14 Ų1424.5 Ų24.510%0.09812%0.121CC..THydrogen-bonded Turntrans-64.5-9-178.748.40000114.7R141 D146 H178 V179 L180R141-S182 PolarHBondContact NE-OG 3.36Å; D146-S182 VanDerWaalsContact OD1-CB 3.28Å; D146-S182 WeakPolarHBondContact OD1-CB 3.34Å; D146-S182 PolarHBondContact OD1-OG 2.9Å; H178-S182 PolarHBondContact O-N 3.21Å; H178-S182 PolarHBondContact O-OG 2.99Å; V179-S182 PolarHBondContact O-N 2.69Å; V179-S182 PolarHBondContact O-OG 3.14Å; L180-S182 PolarHBondContact O-N 2.99Å
183Q87Confident91Very high53 Ų5324.5 Ų24.525%0.24812%0.121CC..THydrogen-bonded Turntrans-101.111.4170.3-64.9177.872.100114D146 E150 V179 L180 L181 K185D146-Q183 HydrophobicContact CB-CG 3.74Å; E150-Q183 PolarHBondContact OE2-NE2 2.94Å; E150-Q183 PolarHBondContact OE2-OE1 3.07Å; V179-Q183 PolarHBondContact O-NE2 3.41Å; L180-Q183 PolarHBondContact O-N 3.09Å; L181-Q183 PolarHBondContact O-N 3.34Å; Q183-K185 HydrophobicContact CB-CD 3.94Å; Q183-K185 HydrophobicContact CB-CG 3.85Å; Q183-K185 PolarHBondContact O-N 2.89Å
184E87.3Confident91Very high46 Ų4629.8 Ų29.822%0.21514%0.141CC..THydrogen-bonded Turntrans58.520-171.1-51.6-168.2122.400113.6L181 Y186 L261 Y265 R268L181-E184 WeakPolarHBondContact O-CA 3.41Å; L181-E184 PolarHBondContact O-N 3.35Å; E184-Y186 VanDerWaalsContact C-N 3.28Å; E184-Y186 HydrophobicContact CB-CE2 4.08Å; E184-Y186 WeakPolarHBondContact O-CD2 3.39Å; E184-Y186 PolarHBondContact O-N 2.99Å; E184-L261 HydrophobicContact CG-CD2 4.02Å; E184-Y265 PolarHBondContact OE1-OH 3.05Å; E184-R268 IonicContact OE1-CZ 3.08Å; E184-R268 IonicContact OE1-NH1 2.7Å; E184-R268 PolarHBondContact OE1-NH1 3.08Å; E184-R268 IonicContact OE1-NH2 3.79Å; E184-R268 PolarHBondContact OE1-NH2 3.18Å; E184-R268 IonicContact OE2-NH1 2.69Å; E184-R268 IonicContact OE2-NH2 2.63Å; E184-R268 PolarHBondContact OE2-NH2 3.05Å
185K90.6Very high91Very high58 Ų5832.2 Ų32.225%0.25216%0.164SC..  trans-84.258.6179.4-62171.8154.5-150.20112.7E150 L180 Q183 D187 E188 A189E150-K185 IonicContact OE1-NZ 3.12Å; E150-K185 PolarHBondContact OE1-NZ 3.4Å; E150-K185 WeakPolarHBondContact OE2-CE 3.42Å; E150-K185 IonicContact OE2-NZ 2.71Å; E150-K185 PolarHBondContact OE2-NZ 3.44Å; L180-K185 HydrophobicContact CB-CB 4.25Å; L180-K185 HydrophobicContact CD2-CB 4.48Å; L180-K185 HydrophobicContact CD2-CD 3.61Å; L180-K185 WeakPolarHBondContact O-CB 3.35Å; L180-K185 PolarHBondContact O-N 3.02Å; Q183-K185 HydrophobicContact CB-CD 3.94Å; Q183-K185 HydrophobicContact CB-CG 3.85Å; Q183-K185 PolarHBondContact O-N 2.89Å; K185-D187 PolarHBondContact O-N 3.35Å; K185-E188 HydrophobicContact CB-CB 4.3Å; K185-E188 VanDerWaalsContact CD-OE1 3.23Å; K185-E188 WeakPolarHBondContact CD-OE1 3.34Å; K185-E188 WeakPolarHBondContact CE-OE1 3.27Å; K185-E188 IonicContact NZ-OE1 2.73Å; K185-E188 PolarHBondContact NZ-OE1 3.41Å; K185-E188 IonicContact NZ-OE2 2.67Å; K185-E188 PolarHBondContact O-N 3.19Å; K185-A189 WeakPolarHBondContact O-CB 3.34Å; K185-A189 PolarHBondContact O-N 3.12Å
186Y90.4Very high90.8Very high2 Ų231.6 Ų31.61%0.00816%0.161CC..Hα-helixtrans-55.2-46.2-175-64.4-86.1000114.7L181 E184 A189 A190 A220 H221 Y224 F247 Y265L181-Y186 HydrophobicContact CD2-CD1 3.97Å; L181-Y186 HydrophobicContact CD2-CE1 4.27Å; E184-Y186 VanDerWaalsContact C-N 3.28Å; E184-Y186 HydrophobicContact CB-CE2 4.08Å; E184-Y186 WeakPolarHBondContact O-CD2 3.39Å; E184-Y186 PolarHBondContact O-N 2.99Å; Y186-A189 PolarHBondContact O-N 2.62Å; Y186-A190 WeakPolarHBondContact O-CB 3.3Å; Y186-A190 PolarHBondContact O-N 3.34Å; Y186-A220 HydrophobicContact CE1-CB 3.9Å; Y186-H221 VanDerWaalsContact CB-CG 3.47Å; Y186-H221 WeakPolarHBondContact CB-ND1 3.21Å; Y186-H221 HydrophobicContact CD1-CB 3.85Å; Y186-H221 AromaticContact CD2-ND1 3.57Å; Y186-H221 HydrophobicContact CG-CB 3.89Å; Y186-H221 AromaticContact CG-CG 3.9Å; Y186-H221 AromaticContact CG-ND1 3.37Å; Y186-Y224 AromaticContact CD2-CD1 3.8Å; Y186-Y224 HydrophobicContact CD2-CD1 3.8Å; Y186-Y224 HydrophobicContact CD2-CE1 4.25Å; Y186-Y224 HydrophobicContact CD2-CG 4.07Å; Y186-Y224 AromaticContact CE2-CD1 3.57Å; Y186-Y224 HydrophobicContact CE2-CD1 3.57Å; Y186-Y224 AromaticContact CE2-CD2 3.74Å; Y186-Y224 HydrophobicContact CE2-CD2 3.74Å; Y186-Y224 HydrophobicContact CE2-CE1 4.04Å; Y186-Y224 HydrophobicContact CE2-CE2 4.2Å; Y186-Y224 AromaticContact CE2-CG 3.39Å; Y186-Y224 HydrophobicContact CE2-CG 3.39Å; Y186-Y224 AromaticContact CZ-CG 3.97Å; Y186-F247 HydrophobicContact CE1-CE2 4.48Å; Y186-F247 AromaticContact CE1-CZ 3.84Å; Y186-F247 HydrophobicContact CE1-CZ 3.84Å; Y186-F247 WeakPolarHBondContact OH-CE2 3.24Å; Y186-F247 WeakPolarHBondContact OH-CZ 3.45Å; Y186-Y265 PolarHBondContact OH-OH 2.97Å
187D91.4Very high90.4Very high78 Ų7834 Ų3442%0.41718%0.176SC..Hα-helixtrans-64.8-48.5-177.1-63.3-79.1000111K185 A189 A190 E191 H221 R225K185-D187 PolarHBondContact O-N 3.35Å; D187-A189 VanDerWaalsContact C-N 3.32Å; D187-A189 PolarHBondContact O-N 2.94Å; D187-A190 PolarHBondContact O-N 3.48Å; D187-E191 WeakPolarHBondContact O-CG 3.45Å; D187-E191 PolarHBondContact O-N 3.41Å; D187-H221 IonicContact OD1-CD2 3.24Å; D187-H221 IonicContact OD1-CE1 3.75Å; D187-H221 IonicContact OD1-NE2 3.78Å; D187-H221 PolarHBondContact OD1-NE2 3.4Å; D187-H221 IonicContact OD2-CE1 2.79Å; D187-H221 PolarHBondContact OD2-CE1 3.47Å; D187-H221 VanDerWaalsContact OD2-CE1 3.23Å; D187-H221 IonicContact OD2-NE2 2.73Å; D187-H221 PolarHBondContact OD2-NE2 2.89Å; D187-R225 IonicContact OD1-NH2 2.72Å; D187-R225 PolarHBondContact OD1-NH2 3.4Å
188E93.5Very high89.7Confident66 Ų6638.6 Ų38.631%0.30821%0.208SC..Hα-helixtrans-56.7-44.4173.3-70-170.1-116.600111.5R154 L180 K185 A190 E191 V192R154-E188 IonicContact CZ-OE2 3.29Å; R154-E188 IonicContact NH2-OE2 2.71Å; R154-E188 PolarHBondContact NH2-OE2 3.33Å; L180-E188 HydrophobicContact CD1-CB 4.08Å; L180-E188 HydrophobicContact CD2-CB 4.2Å; K185-E188 HydrophobicContact CB-CB 4.3Å; K185-E188 VanDerWaalsContact CD-OE1 3.23Å; K185-E188 WeakPolarHBondContact CD-OE1 3.34Å; K185-E188 WeakPolarHBondContact CE-OE1 3.27Å; K185-E188 IonicContact NZ-OE1 2.73Å; K185-E188 PolarHBondContact NZ-OE1 3.41Å; K185-E188 IonicContact NZ-OE2 2.67Å; K185-E188 PolarHBondContact O-N 3.19Å; E188-A190 VanDerWaalsContact C-N 3.29Å; E188-A190 PolarHBondContact O-N 3.39Å; E188-E191 PolarHBondContact O-N 2.98Å; E188-V192 WeakPolarHBondContact O-CG2 3.26Å; E188-V192 PolarHBondContact O-N 3.26Å
189A93.1Very high88.9Confident0 Ų043.5 Ų43.50%023%0.231CC..Hα-helixtrans-62.4-36.6-179.700000112.3S177 L180 L181 K185 Y186 D187 I217S177-A189 PolarHBondContact OG-O 2.91Å; L180-A189 HydrophobicContact CB-CB 3.76Å; L181-A189 HydrophobicContact CD2-CB 4.3Å; L181-A189 HydrophobicContact CG-CB 4.14Å; K185-A189 WeakPolarHBondContact O-CB 3.34Å; K185-A189 PolarHBondContact O-N 3.12Å; Y186-A189 PolarHBondContact O-N 2.62Å; D187-A189 VanDerWaalsContact C-N 3.32Å; D187-A189 PolarHBondContact O-N 2.94Å; A189-I217 HydrophobicContact CB-CD1 4.07Å; A189-I217 HydrophobicContact CB-CG2 4.49Å
190A93.2Very high88.4Confident4 Ų444.7 Ų44.73%0.03324%0.237CC..Hα-helixtrans-77.9-29.6174.800000113.1Y186 D187 E188 R194 L214 I217Y186-A190 WeakPolarHBondContact O-CB 3.3Å; Y186-A190 PolarHBondContact O-N 3.34Å; D187-A190 PolarHBondContact O-N 3.48Å; E188-A190 VanDerWaalsContact C-N 3.29Å; E188-A190 PolarHBondContact O-N 3.39Å; A190-R194 WeakPolarHBondContact O-CB 3.44Å; A190-R194 VanDerWaalsContact O-CG 3.3Å; A190-R194 WeakPolarHBondContact O-CG 3.17Å; A190-R194 PolarHBondContact O-N 2.8Å; A190-R194 PolarHBondContact O-NE 3.34Å; A190-L214 HydrophobicContact CB-CD1 3.96Å; A190-I217 HydrophobicContact CB-CG2 3.97Å
191E93.4Very high87.5Confident113 Ų11350.3 Ų50.353%0.52826%0.264SS..Hα-helixtrans-67.8-43172.8-74.3-177.417000111.4D187 E188 L193 R194 A195D187-E191 WeakPolarHBondContact O-CG 3.45Å; D187-E191 PolarHBondContact O-N 3.41Å; E188-E191 PolarHBondContact O-N 2.98Å; E191-L193 VanDerWaalsContact C-N 3.3Å; E191-L193 PolarHBondContact O-N 2.92Å; E191-R194 CarbonylContact O-C 3.5Å; E191-R194 PolarHBondContact O-N 3.13Å; E191-R194 VanDerWaalsContact O-N 3.16Å; E191-A195 WeakPolarHBondContact O-CB 3.01Å; E191-A195 PolarHBondContact O-N 3.19Å
192V92.9Very high86.4Confident26 Ų2654.4 Ų54.416%0.15828%0.283CS..Hα-helixtrans-60.6-36.6177.5165.90000112.4V173 L176 S177 L180 E188V173-V192 HydrophobicContact CG1-CG1 3.94Å; L176-V192 HydrophobicContact CB-CG1 4.45Å; L176-V192 HydrophobicContact CD2-CG1 4.04Å; L176-V192 HydrophobicContact CD2-CG2 4.13Å; L176-V192 HydrophobicContact CG-CG1 4.25Å; S177-V192 WeakPolarHBondContact OG-CG1 3.32Å; L180-V192 HydrophobicContact CD1-CB 4.41Å; L180-V192 HydrophobicContact CD1-CG2 3.8Å; E188-V192 WeakPolarHBondContact O-CG2 3.26Å; E188-V192 PolarHBondContact O-N 3.26Å
193L92Very high85.7Confident0 Ų062.3 Ų62.30%031%0.311CS..Hα-helixtrans-75.1-40.3172.7-59.2-178.4000112.4V173 S177 E191 A195 V196 T197 I210 L213 L214 I217V173-L193 HydrophobicContact CG1-CD2 3.95Å; S177-L193 WeakPolarHBondContact OG-CD2 3.18Å; S177-L193 WeakPolarHBondContact OG-CG 3.2Å; E191-L193 VanDerWaalsContact C-N 3.3Å; E191-L193 PolarHBondContact O-N 2.92Å; L193-A195 PolarHBondContact O-N 3.39Å; L193-V196 VanDerWaalsContact O-CG2 3.24Å; L193-V196 WeakPolarHBondContact O-CG2 3.2Å; L193-V196 PolarHBondContact O-N 3.22Å; L193-V196 VanDerWaalsContact O-N 3.11Å; L193-T197 PolarHBondContact O-N 2.9Å; L193-I210 HydrophobicContact CB-CG2 4.34Å; L193-I210 HydrophobicContact CD2-CG2 4.2Å; L193-L213 HydrophobicContact CD1-CB 4.12Å; L193-L213 HydrophobicContact CD1-CD2 3.94Å; L193-L213 HydrophobicContact CD1-CG 3.81Å; L193-L213 HydrophobicContact CD2-CD2 4.41Å; L193-L214 HydrophobicContact CB-CB 4.3Å; L193-L214 HydrophobicContact CB-CD1 4.27Å; L193-L214 HydrophobicContact CD1-CB 3.86Å; L193-I217 HydrophobicContact CD1-CD1 3.84Å
194R92.5Very high85.2Confident115 Ų11562 Ų6243%0.43431%0.314SS..Hα-helixtrans-64.8-25.8176.4-78.7176.8-73.6145.9-8.4113.3A190 E191 V196 T197 L214A190-R194 WeakPolarHBondContact O-CB 3.44Å; A190-R194 VanDerWaalsContact O-CG 3.3Å; A190-R194 WeakPolarHBondContact O-CG 3.17Å; A190-R194 PolarHBondContact O-N 2.8Å; A190-R194 PolarHBondContact O-NE 3.34Å; E191-R194 CarbonylContact O-C 3.5Å; E191-R194 PolarHBondContact O-N 3.13Å; E191-R194 VanDerWaalsContact O-N 3.16Å; R194-V196 PolarHBondContact O-N 2.86Å; R194-T197 WeakPolarHBondContact CA-OG1 3.46Å; R194-T197 PolarHBondContact O-N 2.92Å; R194-T197 PolarHBondContact O-OG1 2.84Å; R194-L214 HydrophobicContact CG-CD1 4.21Å; R194-L214 HydrophobicContact CG-CD2 3.89Å
195A89.3Confident84.9Confident73 Ų7364.2 Ų64.260%0.60333%0.331SS*.THydrogen-bonded Turntrans-65.6-21.3173.900000113.2E191 L193E191-A195 WeakPolarHBondContact O-CB 3.01Å; E191-A195 PolarHBondContact O-N 3.19Å; L193-A195 PolarHBondContact O-N 3.39Å
196V88.6Confident84.4Confident4 Ų463 Ų632%0.02433%0.326CS..THydrogen-bonded Turntrans-108.1-9.1177.1-54.60000114.2W169 L170 V173 L193 R194 S198 E199 L200 I210W169-V196 HydrophobicContact CH2-CB 4.03Å; W169-V196 HydrophobicContact CH2-CG1 3.49Å; W169-V196 VanDerWaalsContact CH2-CG1 3.49Å; W169-V196 HydrophobicContact CZ2-CB 4.48Å; W169-V196 HydrophobicContact CZ2-CG1 3.46Å; W169-V196 VanDerWaalsContact CZ2-CG1 3.46Å; W169-V196 HydrophobicContact CZ3-CG1 4.23Å; L170-V196 HydrophobicContact CD2-CB 4.07Å; L170-V196 HydrophobicContact CD2-CG1 4.39Å; L170-V196 HydrophobicContact CD2-CG2 4.03Å; V173-V196 HydrophobicContact CG1-CG1 4.09Å; V173-V196 HydrophobicContact CG1-CG2 3.95Å; V173-V196 HydrophobicContact CG2-CG1 4.07Å; L193-V196 VanDerWaalsContact O-CG2 3.24Å; L193-V196 WeakPolarHBondContact O-CG2 3.2Å; L193-V196 PolarHBondContact O-N 3.22Å; L193-V196 VanDerWaalsContact O-N 3.11Å; R194-V196 PolarHBondContact O-N 2.86Å; V196-S198 PolarHBondContact O-N 2.98Å; V196-S198 VanDerWaalsContact O-N 3.12Å; V196-E199 PolarHBondContact O-N 3.23Å; V196-L200 HydrophobicContact CG2-CD2 4.28Å; V196-L200 WeakPolarHBondContact O-CG 3.17Å; V196-I210 HydrophobicContact CG2-CD1 4.21Å; V196-I210 HydrophobicContact CG2-CG2 4.33Å
197T84.4Confident84.1Confident56 Ų5663.1 Ų63.134%0.34433%0.327SS..G310 helixtrans-60.3-24-177.239.50000114.6L193 R194 E199 L200 L214L193-T197 PolarHBondContact O-N 2.9Å; R194-T197 WeakPolarHBondContact CA-OG1 3.46Å; R194-T197 PolarHBondContact O-N 2.92Å; R194-T197 PolarHBondContact O-OG1 2.84Å; T197-E199 VanDerWaalsContact C-N 3.27Å; T197-E199 PolarHBondContact O-N 3.23Å; T197-L200 HydrophobicContact CG2-CD1 4.06Å; T197-L214 HydrophobicContact CG2-CD2 3.96Å
198S77.9Confident83.7Confident97 Ų9764.9 Ų64.968%0.67833%0.328SS*.G310 helixtrans-73.2-16.517455.80000114.3V196V196-S198 PolarHBondContact O-N 2.98Å; V196-S198 VanDerWaalsContact O-N 3.12Å
199E74.9Confident83.3Confident108 Ų10865.7 Ų65.751%0.50533%0.33SS..G310 helixtrans-101.6-0.7-177.9-56.3-60.7133.200112.5K166 W169 V196 T197K166-E199 WeakPolarHBondContact CE-O 3.38Å; K166-E199 PolarHBondContact NZ-O 3.08Å; W169-E199 HydrophobicContact CH2-CB 4.46Å; W169-E199 HydrophobicContact CH2-CG 4.14Å; W169-E199 HydrophobicContact CZ3-CB 4.33Å; W169-E199 HydrophobicContact CZ3-CG 4.44Å; V196-E199 PolarHBondContact O-N 3.23Å; T197-E199 VanDerWaalsContact C-N 3.27Å; T197-E199 PolarHBondContact O-N 3.23Å
200L79.5Confident82.9Confident25 Ų2565.7 Ų65.713%0.13133%0.33CS..  trans-90.9130.6-177.9-44.8179000110.2L170 V196 T197 E207 I210 V211L170-L200 HydrophobicContact CD1-CD2 4.1Å; L170-L200 HydrophobicContact CD2-CD2 3.91Å; V196-L200 HydrophobicContact CG2-CD2 4.28Å; V196-L200 WeakPolarHBondContact O-CG 3.17Å; T197-L200 HydrophobicContact CG2-CD1 4.06Å; L200-E207 WeakPolarHBondContact CA-OE1 3.19Å; L200-E207 HydrophobicContact CB-CB 4.17Å; L200-E207 HydrophobicContact CB-CG 3.98Å; L200-E207 HydrophobicContact CD2-CB 4.37Å; L200-E207 HydrophobicContact CD2-CG 3.79Å; L200-E207 HydrophobicContact CG-CG 4.37Å; L200-I210 HydrophobicContact CD1-CB 4.22Å; L200-I210 HydrophobicContact CD1-CG2 3.72Å; L200-I210 HydrophobicContact CD2-CD1 4.24Å; L200-V211 HydrophobicContact CD1-CG2 3.75Å
201E71.9Confident82.6Confident118 Ų11866.8 Ų66.855%0.55134%0.337SS*.  trans-100.55170-60.4-174.112600112.1R203 E207E201-R203 HydrophobicContact CB-CG 4.06Å; E201-R203 PolarHBondContact O-N 3.14Å; E201-R203 IonicContact OE1-CZ 3.24Å; E201-R203 IonicContact OE1-NH1 2.81Å; E201-R203 PolarHBondContact OE1-NH1 3.21Å; E201-R203 WeakPolarHBondContact OE2-CD 3.3Å; E201-R203 IonicContact OE2-CZ 2.68Å; E201-R203 IonicContact OE2-NE 3.5Å; E201-R203 IonicContact OE2-NH1 3.25Å; E201-R203 PolarHBondContact OE2-NH1 3.17Å; E201-E207 PolarHBondContact N-OE1 3.36Å
202E66.1Low82.3Confident87 Ų8767.3 Ų67.341%0.40734%0.337SS..SBendtrans50.810.6-170.7-66.8-149.4-134.900116.3R208 V211E202-R208 HydrophobicContact CB-CG 4.33Å; E202-R208 WeakPolarHBondContact O-CG 3.26Å; E202-R208 PolarHBondContact O-NH1 3.45Å; E202-V211 HydrophobicContact CG-CG2 4.15Å
203R70.4Confident82.1Confident180 Ų18066.4 Ų66.468%0.67933%0.331SS*.  trans-70.1-40.7179.8-71.9174177.6153.90.8112.7E201 E207 R208E201-R203 HydrophobicContact CB-CG 4.06Å; E201-R203 PolarHBondContact O-N 3.14Å; E201-R203 IonicContact OE1-CZ 3.24Å; E201-R203 IonicContact OE1-NH1 2.81Å; E201-R203 PolarHBondContact OE1-NH1 3.21Å; E201-R203 WeakPolarHBondContact OE2-CD 3.3Å; E201-R203 IonicContact OE2-CZ 2.68Å; E201-R203 IonicContact OE2-NE 3.5Å; E201-R203 IonicContact OE2-NH1 3.25Å; E201-R203 PolarHBondContact OE2-NH1 3.17Å; R203-E207 PolarHBondContact N-OE2 3.08Å; R203-R208 PolarHBondContact O-NH1 3.12Å
204S76.9Confident82Confident46 Ų4667.4 Ų67.432%0.32234%0.337SS..SBendtrans-85.3157.8-18071.20000113.3I206 E207 R208S204-I206 PolarHBondContact O-N 3.19Å; S204-E207 VanDerWaalsContact CB-OE2 3.25Å; S204-E207 WeakPolarHBondContact CB-OE2 3.29Å; S204-E207 PolarHBondContact N-OE2 2.85Å; S204-E207 PolarHBondContact O-N 2.91Å; S204-E207 VanDerWaalsContact OG-CG 3.24Å; S204-E207 WeakPolarHBondContact OG-CG 3.08Å; S204-E207 PolarHBondContact OG-N 3.49Å; S204-E207 PolarHBondContact OG-OE2 3.17Å; S204-R208 PolarHBondContact O-N 3.26Å; S204-R208 PolarHBondContact O-NH1 3.43Å
205V80Confident81.8Confident93 Ų9369.6 Ų69.656%0.56435%0.345SS*.Hα-helixtrans-59.9-31.2172.8179.10000111.7K209V205-K209 WeakPolarHBondContact O-CG 3.44Å; V205-K209 PolarHBondContact O-N 2.98Å
206I80.4Confident81.8Confident31 Ų3167.1 Ų67.116%0.15932%0.321CS..Hα-helixtrans-76-40.8-176.2-57.9178000111.2V167 L170 E171 I174 S204 R208 K209 I210V167-I206 HydrophobicContact CB-CD1 4.43Å; V167-I206 HydrophobicContact CG1-CD1 3.74Å; V167-I206 HydrophobicContact CG2-CD1 4.41Å; L170-I206 HydrophobicContact CB-CG2 3.69Å; L170-I206 HydrophobicContact CD1-CG2 4.35Å; E171-I206 HydrophobicContact CG-CD1 4.28Å; I174-I206 HydrophobicContact CD1-CG2 3.82Å; S204-I206 PolarHBondContact O-N 3.19Å; I206-R208 VanDerWaalsContact C-N 3.35Å; I206-R208 PolarHBondContact O-N 3.28Å; I206-K209 WeakPolarHBondContact O-CB 3.28Å; I206-K209 PolarHBondContact O-N 2.95Å; I206-I210 PolarHBondContact O-N 3.09Å
207E83.3Confident81.8Confident6 Ų666.9 Ų66.93%0.02832%0.32CS..Hα-helixtrans-60.4-45.6173.5-70159.2135.700110.7K166 L170 L200 E201 R203 S204 K209 I210 V211K166-E207 IonicContact NZ-OE1 2.77Å; K166-E207 PolarHBondContact NZ-OE1 3.43Å; L170-E207 HydrophobicContact CD1-CG 4Å; L200-E207 WeakPolarHBondContact CA-OE1 3.19Å; L200-E207 HydrophobicContact CB-CB 4.17Å; L200-E207 HydrophobicContact CB-CG 3.98Å; L200-E207 HydrophobicContact CD2-CB 4.37Å; L200-E207 HydrophobicContact CD2-CG 3.79Å; L200-E207 HydrophobicContact CG-CG 4.37Å; E201-E207 PolarHBondContact N-OE1 3.36Å; R203-E207 PolarHBondContact N-OE2 3.08Å; S204-E207 VanDerWaalsContact CB-OE2 3.25Å; S204-E207 WeakPolarHBondContact CB-OE2 3.29Å; S204-E207 PolarHBondContact N-OE2 2.85Å; S204-E207 PolarHBondContact O-N 2.91Å; S204-E207 VanDerWaalsContact OG-CG 3.24Å; S204-E207 WeakPolarHBondContact OG-CG 3.08Å; S204-E207 PolarHBondContact OG-N 3.49Å; S204-E207 PolarHBondContact OG-OE2 3.17Å; E207-K209 VanDerWaalsContact C-N 3.35Å; E207-K209 PolarHBondContact O-N 3.3Å; E207-I210 WeakPolarHBondContact O-CB 3.38Å; E207-I210 PolarHBondContact O-N 2.85Å; E207-I210 VanDerWaalsContact O-N 3.09Å; E207-V211 PolarHBondContact O-N 3.38Å
208R83.5Confident82.1Confident114 Ų11467.8 Ų67.843%0.4332%0.322SS..Hα-helixtrans-64.3-35174.4-65.4-169.6-66-85.93.8113E202 R203 S204 I206 I210 K212E202-R208 HydrophobicContact CB-CG 4.33Å; E202-R208 WeakPolarHBondContact O-CG 3.26Å; E202-R208 PolarHBondContact O-NH1 3.45Å; R203-R208 PolarHBondContact O-NH1 3.12Å; S204-R208 PolarHBondContact O-N 3.26Å; S204-R208 PolarHBondContact O-NH1 3.43Å; I206-R208 VanDerWaalsContact C-N 3.35Å; I206-R208 PolarHBondContact O-N 3.28Å; R208-I210 VanDerWaalsContact C-N 3.34Å; R208-K212 VanDerWaalsContact O-CB 3.31Å; R208-K212 WeakPolarHBondContact O-CB 3.31Å; R208-K212 PolarHBondContact O-N 3.36Å
209K84.5Confident82.6Confident83 Ų8365.9 Ų65.936%0.36131%0.309SS..Hα-helixtrans-59.4-42.8170.2-83.2-176.2172.3-170.10111I174 V205 I206 E207 L213 D255I174-K209 HydrophobicContact CD1-CB 4.37Å; V205-K209 WeakPolarHBondContact O-CG 3.44Å; V205-K209 PolarHBondContact O-N 2.98Å; I206-K209 WeakPolarHBondContact O-CB 3.28Å; I206-K209 PolarHBondContact O-N 2.95Å; E207-K209 VanDerWaalsContact C-N 3.35Å; E207-K209 PolarHBondContact O-N 3.3Å; K209-L213 VanDerWaalsContact O-CB 3.28Å; K209-L213 WeakPolarHBondContact O-CB 3.44Å; K209-L213 PolarHBondContact O-N 2.96Å; K209-D255 IonicContact NZ-OD2 3.86Å
210I86Confident83.3Confident0 Ų060.8 Ų60.80%029%0.285CS..Hα-helixtrans-64.8-48.7178.3-72.9166.5000112L170 I174 L193 V196 L200 I206 E207 R208 K212 L213 L214L170-I210 HydrophobicContact CB-CD1 3.92Å; L170-I210 HydrophobicContact CD1-CD1 4.32Å; L170-I210 HydrophobicContact CD2-CD1 3.72Å; L170-I210 HydrophobicContact CG-CD1 4.18Å; I174-I210 HydrophobicContact CD1-CD1 4.3Å; I174-I210 HydrophobicContact CD1-CG1 3.81Å; I174-I210 HydrophobicContact CG1-CD1 4.15Å; I174-I210 HydrophobicContact CG1-CG1 3.56Å; L193-I210 HydrophobicContact CB-CG2 4.34Å; L193-I210 HydrophobicContact CD2-CG2 4.2Å; V196-I210 HydrophobicContact CG2-CD1 4.21Å; V196-I210 HydrophobicContact CG2-CG2 4.33Å; L200-I210 HydrophobicContact CD1-CB 4.22Å; L200-I210 HydrophobicContact CD1-CG2 3.72Å; L200-I210 HydrophobicContact CD2-CD1 4.24Å; I206-I210 PolarHBondContact O-N 3.09Å; E207-I210 WeakPolarHBondContact O-CB 3.38Å; E207-I210 PolarHBondContact O-N 2.85Å; E207-I210 VanDerWaalsContact O-N 3.09Å; R208-I210 VanDerWaalsContact C-N 3.34Å; I210-K212 VanDerWaalsContact C-N 3.29Å; I210-K212 PolarHBondContact O-N 2.85Å; I210-L213 PolarHBondContact O-N 3.3Å; I210-L213 VanDerWaalsContact O-N 3.17Å; I210-L214 WeakPolarHBondContact O-CB 3.21Å; I210-L214 PolarHBondContact O-N 3.32Å
211V86.7Confident83.9Confident27 Ų2760.4 Ų60.416%0.16428%0.283CS..Hα-helixtrans-69.1-29.5-178-179.60000111.7L200 E202 E207 R215L200-V211 HydrophobicContact CD1-CG2 3.75Å; E202-V211 HydrophobicContact CG-CG2 4.15Å; E207-V211 PolarHBondContact O-N 3.38Å; V211-R215 WeakPolarHBondContact O-CG 3.28Å; V211-R215 PolarHBondContact O-NE 2.62Å
212K87Confident84.9Confident124 Ų12458.1 Ų58.154%0.53928%0.277SS..Hα-helixtrans-66.6-50.3167.6-172.2-174.9176.9-173.90111.4R208 I210 L214 R215 Q216R208-K212 VanDerWaalsContact O-CB 3.31Å; R208-K212 WeakPolarHBondContact O-CB 3.31Å; R208-K212 PolarHBondContact O-N 3.36Å; I210-K212 VanDerWaalsContact C-N 3.29Å; I210-K212 PolarHBondContact O-N 2.85Å; K212-L214 PolarHBondContact O-N 3.23Å; K212-R215 PolarHBondContact O-N 3.19Å; K212-Q216 WeakPolarHBondContact O-CG 3.48Å; K212-Q216 PolarHBondContact O-N 2.87Å; K212-Q216 VanDerWaalsContact O-N 3.12Å; K212-Q216 PolarHBondContact O-OE1 2.9Å
213L87.7Confident86Confident7 Ų754.8 Ų54.84%0.03726%0.262CS..Hα-helixtrans-60.2-45.7-178.1-177.561.4000111.8I174 L193 K209 I210 R215 Q216 I217 L251I174-L213 HydrophobicContact CG2-CD2 4.19Å; L193-L213 HydrophobicContact CD1-CB 4.12Å; L193-L213 HydrophobicContact CD1-CD2 3.94Å; L193-L213 HydrophobicContact CD1-CG 3.81Å; L193-L213 HydrophobicContact CD2-CD2 4.41Å; K209-L213 VanDerWaalsContact O-CB 3.28Å; K209-L213 WeakPolarHBondContact O-CB 3.44Å; K209-L213 PolarHBondContact O-N 2.96Å; I210-L213 PolarHBondContact O-N 3.3Å; I210-L213 VanDerWaalsContact O-N 3.17Å; L213-R215 VanDerWaalsContact C-N 3.33Å; L213-R215 PolarHBondContact O-N 3.2Å; L213-Q216 PolarHBondContact O-N 3.11Å; L213-Q216 VanDerWaalsContact O-N 3.08Å; L213-I217 HydrophobicContact CD1-CD1 4.27Å; L213-I217 HydrophobicContact CD1-CG1 4.22Å; L213-I217 HydrophobicContact CG-CD1 4.02Å; L213-I217 HydrophobicContact CG-CG1 4.33Å; L213-I217 WeakPolarHBondContact O-CG1 3.44Å; L213-I217 PolarHBondContact O-N 3.39Å; L213-L251 HydrophobicContact CD1-CD2 3.76Å
214L90.3Very high86.9Confident22 Ų2248.9 Ų48.912%0.11524%0.24CC..Hα-helixtrans-58.5-42.2178.1177.856.5000112.4A190 L193 R194 T197 I210 K212 Q216 I217 N218A190-L214 HydrophobicContact CB-CD1 3.96Å; L193-L214 HydrophobicContact CB-CB 4.3Å; L193-L214 HydrophobicContact CB-CD1 4.27Å; L193-L214 HydrophobicContact CD1-CB 3.86Å; R194-L214 HydrophobicContact CG-CD1 4.21Å; R194-L214 HydrophobicContact CG-CD2 3.89Å; T197-L214 HydrophobicContact CG2-CD2 3.96Å; I210-L214 WeakPolarHBondContact O-CB 3.21Å; I210-L214 PolarHBondContact O-N 3.32Å; K212-L214 PolarHBondContact O-N 3.23Å; L214-Q216 VanDerWaalsContact C-N 3.35Å; L214-Q216 PolarHBondContact O-N 2.81Å; L214-I217 PolarHBondContact O-N 3.31Å; L214-N218 VanDerWaalsContact O-CG 3.25Å; L214-N218 PolarHBondContact O-N 3.45Å; L214-N218 PolarHBondContact O-ND2 2.86Å
215R88.8Confident87.6Confident161 Ų16153 Ų5361%0.60825%0.248SC*.Hα-helixtrans-61.5-42174.3-75.4-179.7-80.5177.9-12.4112V211 K212 L213 N218 S219V211-R215 WeakPolarHBondContact O-CG 3.28Å; V211-R215 PolarHBondContact O-NE 2.62Å; K212-R215 PolarHBondContact O-N 3.19Å; L213-R215 VanDerWaalsContact C-N 3.33Å; L213-R215 PolarHBondContact O-N 3.2Å; R215-N218 PolarHBondContact O-N 3.16Å; R215-S219 PolarHBondContact O-N 3.39Å
216Q88.5Confident88.1Confident20 Ų2053 Ų539%0.09324%0.242CC..Hα-helixtrans-69.2-39.3179-64.7166.7-4900112.2K212 L213 L214 S219 A220 Q250 L251K212-Q216 WeakPolarHBondContact O-CG 3.48Å; K212-Q216 PolarHBondContact O-N 2.87Å; K212-Q216 VanDerWaalsContact O-N 3.12Å; K212-Q216 PolarHBondContact O-OE1 2.9Å; L213-Q216 PolarHBondContact O-N 3.11Å; L213-Q216 VanDerWaalsContact O-N 3.08Å; L214-Q216 VanDerWaalsContact C-N 3.35Å; L214-Q216 PolarHBondContact O-N 2.81Å; Q216-S219 WeakPolarHBondContact O-CB 3.14Å; Q216-S219 PolarHBondContact O-N 3.33Å; Q216-A220 PolarHBondContact O-N 3.18Å; Q216-Q250 VanDerWaalsContact CD-O 3.3Å; Q216-Q250 PolarHBondContact NE2-O 3.18Å; Q216-Q250 PolarHBondContact OE1-O 3.47Å; Q216-L251 HydrophobicContact CB-CD2 3.45Å; Q216-L251 VanDerWaalsContact CB-CD2 3.45Å; Q216-L251 HydrophobicContact CB-CG 4.12Å
217I89.7Confident88.6Confident0 Ų052 Ų520%024%0.238CC..Hα-helixtrans-62.1-46.5174.8-66.8-177.1000110.5L181 A189 A190 L193 L213 L214 S219 A220 H221 L251L181-I217 HydrophobicContact CD1-CD1 3.86Å; L181-I217 HydrophobicContact CD1-CG1 3.89Å; L181-I217 HydrophobicContact CD2-CD1 4.22Å; L181-I217 HydrophobicContact CD2-CG1 4.02Å; L181-I217 HydrophobicContact CD2-CG2 4.23Å; L181-I217 HydrophobicContact CG-CD1 4.09Å; L181-I217 HydrophobicContact CG-CG1 4.29Å; A189-I217 HydrophobicContact CB-CD1 4.07Å; A189-I217 HydrophobicContact CB-CG2 4.49Å; A190-I217 HydrophobicContact CB-CG2 3.97Å; L193-I217 HydrophobicContact CD1-CD1 3.84Å; L213-I217 HydrophobicContact CD1-CD1 4.27Å; L213-I217 HydrophobicContact CD1-CG1 4.22Å; L213-I217 HydrophobicContact CG-CD1 4.02Å; L213-I217 HydrophobicContact CG-CG1 4.33Å; L213-I217 WeakPolarHBondContact O-CG1 3.44Å; L213-I217 PolarHBondContact O-N 3.39Å; L214-I217 PolarHBondContact O-N 3.31Å; I217-S219 VanDerWaalsContact C-N 3.3Å; I217-S219 PolarHBondContact O-N 3.4Å; I217-A220 PolarHBondContact O-N 3.03Å; I217-H221 VanDerWaalsContact O-CB 3.3Å; I217-H221 WeakPolarHBondContact O-CB 3.36Å; I217-H221 PolarHBondContact O-N 3.33Å; I217-L251 HydrophobicContact CG1-CD2 3.94Å
218N90.4Very high88.7Confident74 Ų7456.6 Ų56.640%0.39626%0.263SS..Hα-helixtrans-61.8-38177.5-69.6-20.4000111.9L214 R215 T222L214-N218 VanDerWaalsContact O-CG 3.25Å; L214-N218 PolarHBondContact O-N 3.45Å; L214-N218 PolarHBondContact O-ND2 2.86Å; R215-N218 PolarHBondContact O-N 3.16Å; N218-T222 PolarHBondContact O-N 3.01Å; N218-T222 PolarHBondContact O-OG1 3.17Å
219S89.2Confident88.9Confident58 Ų5857.6 Ų57.641%0.40628%0.276SS..Hα-helixtrans-63.6-52.2174.6-171.30000112.4R215 Q216 I217 H221 T222 L223R215-S219 PolarHBondContact O-N 3.39Å; Q216-S219 WeakPolarHBondContact O-CB 3.14Å; Q216-S219 PolarHBondContact O-N 3.33Å; I217-S219 VanDerWaalsContact C-N 3.3Å; I217-S219 PolarHBondContact O-N 3.4Å; S219-H221 VanDerWaalsContact C-N 3.3Å; S219-H221 PolarHBondContact O-N 3.16Å; S219-T222 PolarHBondContact O-N 3.04Å; S219-L223 PolarHBondContact O-N 2.87Å; S219-L223 VanDerWaalsContact O-N 3.08Å
220A89.4Confident89Confident0 Ų055 Ų550%027%0.269CS..Hα-helixtrans-62.3-37.6178.100000112Y186 Q216 I217 L223 Y224 L243 L246 L251Y186-A220 HydrophobicContact CE1-CB 3.9Å; Q216-A220 PolarHBondContact O-N 3.18Å; I217-A220 PolarHBondContact O-N 3.03Å; A220-L223 PolarHBondContact O-N 3.48Å; A220-Y224 WeakPolarHBondContact O-CB 3.14Å; A220-Y224 PolarHBondContact O-N 2.9Å; A220-L243 HydrophobicContact CB-CD2 4.25Å; A220-L243 WeakPolarHBondContact O-CD2 3.42Å; A220-L246 HydrophobicContact CB-CD1 4.16Å; A220-L251 HydrophobicContact CB-CD1 3.69Å
221H91.8Very high88.9Confident17 Ų1764.4 Ų64.48%0.07931%0.309CS..Hα-helixtrans-66.3-39.8175.8-169.949.2000112.9Y186 D187 I217 S219 L223 Y224 R225Y186-H221 VanDerWaalsContact CB-CG 3.47Å; Y186-H221 WeakPolarHBondContact CB-ND1 3.21Å; Y186-H221 HydrophobicContact CD1-CB 3.85Å; Y186-H221 AromaticContact CD2-ND1 3.57Å; Y186-H221 HydrophobicContact CG-CB 3.89Å; Y186-H221 AromaticContact CG-CG 3.9Å; Y186-H221 AromaticContact CG-ND1 3.37Å; D187-H221 IonicContact OD1-CD2 3.24Å; D187-H221 IonicContact OD1-CE1 3.75Å; D187-H221 IonicContact OD1-NE2 3.78Å; D187-H221 PolarHBondContact OD1-NE2 3.4Å; D187-H221 IonicContact OD2-CE1 2.79Å; D187-H221 PolarHBondContact OD2-CE1 3.47Å; D187-H221 VanDerWaalsContact OD2-CE1 3.23Å; D187-H221 IonicContact OD2-NE2 2.73Å; D187-H221 PolarHBondContact OD2-NE2 2.89Å; I217-H221 VanDerWaalsContact O-CB 3.3Å; I217-H221 WeakPolarHBondContact O-CB 3.36Å; I217-H221 PolarHBondContact O-N 3.33Å; S219-H221 VanDerWaalsContact C-N 3.3Å; S219-H221 PolarHBondContact O-N 3.16Å; H221-L223 VanDerWaalsContact C-N 3.32Å; H221-L223 PolarHBondContact O-N 2.68Å; H221-Y224 PolarHBondContact O-N 3.23Å; H221-R225 VanDerWaalsContact CD2-CZ 3.42Å; H221-R225 PolarHBondContact CD2-NE 3.39Å; H221-R225 VanDerWaalsContact CD2-NE 3.26Å; H221-R225 PolarHBondContact CD2-NH2 3.02Å; H221-R225 PolarHBondContact NE2-NE 3.29Å; H221-R225 PolarHBondContact NE2-NH2 3.46Å; H221-R225 WeakPolarHBondContact O-CG 3.49Å; H221-R225 PolarHBondContact O-N 2.97Å
222T91.6Very high89Confident70 Ų7066.9 Ų66.943%0.42932%0.322SS..Hα-helixtrans-61.5-40.4173.5-69.10000111.5N218 S219 R225 Q226N218-T222 PolarHBondContact O-N 3.01Å; N218-T222 PolarHBondContact O-OG1 3.17Å; S219-T222 PolarHBondContact O-N 3.04Å; T222-R225 PolarHBondContact O-N 3.18Å; T222-Q226 WeakPolarHBondContact O-CG 3.47Å; T222-Q226 PolarHBondContact O-N 3.06Å
223L90.6Very high89.1Confident18 Ų1862.7 Ų62.79%0.09431%0.308CS..Hα-helixtrans-67.6-38.7173.9-67.8167.7000112.3S219 A220 H221 Q226 V227 L239 K242 L243 L246S219-L223 PolarHBondContact O-N 2.87Å; S219-L223 VanDerWaalsContact O-N 3.08Å; A220-L223 PolarHBondContact O-N 3.48Å; H221-L223 VanDerWaalsContact C-N 3.32Å; H221-L223 PolarHBondContact O-N 2.68Å; L223-Q226 WeakPolarHBondContact O-CB 3.32Å; L223-Q226 PolarHBondContact O-N 2.87Å; L223-V227 WeakPolarHBondContact O-CG2 3.4Å; L223-V227 PolarHBondContact O-N 2.77Å; L223-L239 HydrophobicContact CD2-CD2 3.79Å; L223-K242 HydrophobicContact CD1-CB 4.01Å; L223-K242 HydrophobicContact CD2-CD 4.13Å; L223-L243 HydrophobicContact CB-CD1 4.31Å; L223-L243 HydrophobicContact CB-CD2 3.74Å; L223-L243 HydrophobicContact CB-CG 3.91Å; L223-L243 HydrophobicContact CD1-CD2 4.4Å; L223-L246 HydrophobicContact CD1-CD1 3.34Å
224Y89.2Confident89.2Confident56 Ų5665.9 Ų65.922%0.2233%0.325CS..Hα-helixtrans-63.8-39175.2-177.9-105.4000112.3Y186 A220 H221 V227 N228 Y265Y186-Y224 AromaticContact CD2-CD1 3.8Å; Y186-Y224 HydrophobicContact CD2-CD1 3.8Å; Y186-Y224 HydrophobicContact CD2-CE1 4.25Å; Y186-Y224 HydrophobicContact CD2-CG 4.07Å; Y186-Y224 AromaticContact CE2-CD1 3.57Å; Y186-Y224 HydrophobicContact CE2-CD1 3.57Å; Y186-Y224 AromaticContact CE2-CD2 3.74Å; Y186-Y224 HydrophobicContact CE2-CD2 3.74Å; Y186-Y224 HydrophobicContact CE2-CE1 4.04Å; Y186-Y224 HydrophobicContact CE2-CE2 4.2Å; Y186-Y224 AromaticContact CE2-CG 3.39Å; Y186-Y224 HydrophobicContact CE2-CG 3.39Å; Y186-Y224 AromaticContact CZ-CG 3.97Å; A220-Y224 WeakPolarHBondContact O-CB 3.14Å; A220-Y224 PolarHBondContact O-N 2.9Å; H221-Y224 PolarHBondContact O-N 3.23Å; Y224-V227 PolarHBondContact O-N 3.02Å; Y224-N228 VanDerWaalsContact CE1-ND2 3.32Å; Y224-N228 WeakPolarHBondContact CE1-ND2 3.45Å; Y224-N228 PolarHBondContact O-N 2.95Å; Y224-N228 PolarHBondContact O-ND2 2.71Å; Y224-Y265 VanDerWaalsContact CD2-OH 3.24Å; Y224-Y265 WeakPolarHBondContact CD2-OH 3.43Å
225R90.8Very high89.3Confident131 Ų13167.8 Ų67.849%0.49434%0.338SS..Hα-helixtrans-59.8-48.8169.3-69.3174.8-175179.11.5110.8D187 H221 T222 V227 N228 D229D187-R225 IonicContact OD1-NH2 2.72Å; D187-R225 PolarHBondContact OD1-NH2 3.4Å; H221-R225 VanDerWaalsContact CD2-CZ 3.42Å; H221-R225 PolarHBondContact CD2-NE 3.39Å; H221-R225 VanDerWaalsContact CD2-NE 3.26Å; H221-R225 PolarHBondContact CD2-NH2 3.02Å; H221-R225 PolarHBondContact NE2-NE 3.29Å; H221-R225 PolarHBondContact NE2-NH2 3.46Å; H221-R225 WeakPolarHBondContact O-CG 3.49Å; H221-R225 PolarHBondContact O-N 2.97Å; T222-R225 PolarHBondContact O-N 3.18Å; R225-V227 VanDerWaalsContact C-N 3.31Å; R225-V227 PolarHBondContact O-N 3.46Å; R225-N228 PolarHBondContact O-N 3.31Å; R225-N228 VanDerWaalsContact O-N 3.11Å; R225-D229 PolarHBondContact O-N 3.44Å
226Q91.8Very high89.4Confident93 Ų9361.5 Ų61.544%0.43532%0.316SS..Hα-helixtrans-59.1-37.2177.4-71.1172.712.800113.2T222 L223 C230 L239T222-Q226 WeakPolarHBondContact O-CG 3.47Å; T222-Q226 PolarHBondContact O-N 3.06Å; L223-Q226 WeakPolarHBondContact O-CB 3.32Å; L223-Q226 PolarHBondContact O-N 2.87Å; Q226-C230 WeakPolarHBondContact O-CB 3.44Å; Q226-C230 PolarHBondContact O-N 2.79Å; Q226-C230 VanDerWaalsContact O-N 3.09Å; Q226-L239 HydrophobicContact CB-CD1 4.08Å; Q226-L239 HydrophobicContact CB-CD2 4.09Å
227V89.1Confident89.6Confident12 Ų1261.5 Ų61.57%0.07332%0.315CS..Hα-helixtrans-59.7-48.4173.2161.90000111.3L223 Y224 R225 D229 C230 L236 L239 Y240 L243L223-V227 WeakPolarHBondContact O-CG2 3.4Å; L223-V227 PolarHBondContact O-N 2.77Å; Y224-V227 PolarHBondContact O-N 3.02Å; R225-V227 VanDerWaalsContact C-N 3.31Å; R225-V227 PolarHBondContact O-N 3.46Å; V227-D229 VanDerWaalsContact C-N 3.31Å; V227-D229 PolarHBondContact O-N 3.47Å; V227-C230 PolarHBondContact O-N 3.01Å; V227-C230 VanDerWaalsContact O-N 3.16Å; V227-L236 HydrophobicContact CG1-CD2 4.13Å; V227-L239 HydrophobicContact CG2-CB 3.61Å; V227-L239 HydrophobicContact CG2-CD1 4.12Å; V227-L239 HydrophobicContact CG2-CG 4.45Å; V227-Y240 HydrophobicContact CB-CE1 4.45Å; V227-Y240 HydrophobicContact CG1-CD1 4.45Å; V227-Y240 HydrophobicContact CG1-CE1 3.54Å; V227-Y240 HydrophobicContact CG2-CD1 4.08Å; V227-Y240 HydrophobicContact CG2-CE1 3.96Å; V227-L243 HydrophobicContact CG2-CD1 3.64Å
228N86.1Confident89.7Confident102 Ų10266.7 Ų66.755%0.54534%0.338SS..Hα-helixtrans-66.7-30.5-176-73.2-56.6000113.2Y224 R225Y224-N228 VanDerWaalsContact CE1-ND2 3.32Å; Y224-N228 WeakPolarHBondContact CE1-ND2 3.45Å; Y224-N228 PolarHBondContact O-N 2.95Å; Y224-N228 PolarHBondContact O-ND2 2.71Å; R225-N228 PolarHBondContact O-N 3.31Å; R225-N228 VanDerWaalsContact O-N 3.11Å
229D86.9Confident89.8Confident134 Ų13463.9 Ų63.972%0.71732%0.323SS*.Hα-helixtrans-82-21.3174.3-72.9-40000113.5R225 V227R225-D229 PolarHBondContact O-N 3.44Å; V227-D229 VanDerWaalsContact C-N 3.31Å; V227-D229 PolarHBondContact O-N 3.47Å
230C87.5Confident90Very high30 Ų3063 Ų6320%0.20331%0.311CS..  trans-78.6144.7-173.3-164.90000113.4Q226 V227 T235 L236 L239Q226-C230 WeakPolarHBondContact O-CB 3.44Å; Q226-C230 PolarHBondContact O-N 2.79Å; Q226-C230 VanDerWaalsContact O-N 3.09Å; V227-C230 PolarHBondContact O-N 3.01Å; V227-C230 VanDerWaalsContact O-N 3.16Å; C230-T235 VanDerWaalsContact SG-CG2 3.56Å; C230-L236 HydrophobicContact CB-CD2 3.83Å; C230-L236 HydrophobicContact CB-CG 4.08Å; C230-L239 HydrophobicContact CB-CD1 4.16Å
231K83.7Confident90.1Very high196 Ų19665.3 Ų65.385%0.85232%0.322SS*.  trans-130.4-5.4179.1-64.8170.6-172.3159.80113.5
232D89.7Confident90.1Very high79 Ų7970.2 Ų70.242%0.42234%0.343SS..  trans-90.4128.7177.116950.4000109.8L234 T235 L236D232-L234 PolarHBondContact O-N 3.39Å; D232-L234 PolarHBondContact OD2-N 2.93Å; D232-T235 PolarHBondContact O-N 2.89Å; D232-T235 VanDerWaalsContact OD2-CB 3.24Å; D232-T235 WeakPolarHBondContact OD2-CB 3.44Å; D232-T235 PolarHBondContact OD2-N 2.84Å; D232-T235 PolarHBondContact OD2-OG1 2.73Å; D232-L236 WeakPolarHBondContact O-CB 3.27Å; D232-L236 WeakPolarHBondContact O-CG 3.44Å; D232-L236 PolarHBondContact O-N 3.41Å
233S88.2Confident90.1Very high37 Ų3766.9 Ų66.926%0.25932%0.322SS..Hα-helixtrans-69.6-33.3-174.2-57.80000112.5Y237S233-Y237 WeakPolarHBondContact O-CB 3.38Å; S233-Y237 PolarHBondContact O-N 3.24Å
234L90.1Very high90Very high73 Ų7366 Ų6638%0.38232%0.318SS..Hα-helixtrans-71.2-36.6177.9178.662.5000111.9D232 K238 A276 V278D232-L234 PolarHBondContact O-N 3.39Å; D232-L234 PolarHBondContact OD2-N 2.93Å; L234-K238 WeakPolarHBondContact O-CG 3.47Å; L234-K238 PolarHBondContact O-N 3.3Å; L234-A276 HydrophobicContact CB-CB 4.32Å; L234-V278 HydrophobicContact CD1-CG2 3.77Å
235T91.3Very high89.9Confident63 Ų6367 Ų6739%0.38733%0.326SS..Hα-helixtrans-72.4-42.3174.3-57.10000111.1C230 D232 Y237 K238 L239C230-T235 VanDerWaalsContact SG-CG2 3.56Å; D232-T235 PolarHBondContact O-N 2.89Å; D232-T235 VanDerWaalsContact OD2-CB 3.24Å; D232-T235 WeakPolarHBondContact OD2-CB 3.44Å; D232-T235 PolarHBondContact OD2-N 2.84Å; D232-T235 PolarHBondContact OD2-OG1 2.73Å; T235-Y237 PolarHBondContact O-N 2.75Å; T235-K238 PolarHBondContact O-N 2.9Å; T235-L239 HydrophobicContact CG2-CD1 4.09Å; T235-L239 HydrophobicContact CG2-CG 4.46Å; T235-L239 WeakPolarHBondContact O-CG 3.5Å; T235-L239 PolarHBondContact O-N 2.98Å
236L91.7Very high89.7Confident29 Ų2961.3 Ų61.315%0.15231%0.306CS..Hα-helixtrans-58-45.2172.8-78.5169.2000111.9V227 C230 D232 K238 L239 Y240 A272V227-L236 HydrophobicContact CG1-CD2 4.13Å; C230-L236 HydrophobicContact CB-CD2 3.83Å; C230-L236 HydrophobicContact CB-CG 4.08Å; D232-L236 WeakPolarHBondContact O-CB 3.27Å; D232-L236 WeakPolarHBondContact O-CG 3.44Å; D232-L236 PolarHBondContact O-N 3.41Å; L236-K238 VanDerWaalsContact C-N 3.34Å; L236-K238 PolarHBondContact O-N 3.15Å; L236-L239 PolarHBondContact O-N 3.41Å; L236-L239 VanDerWaalsContact O-N 3.15Å; L236-Y240 HydrophobicContact CB-CD2 4.35Å; L236-Y240 HydrophobicContact CB-CE2 4.04Å; L236-Y240 HydrophobicContact CD2-CE2 4.29Å; L236-Y240 WeakPolarHBondContact O-CB 3.45Å; L236-Y240 WeakPolarHBondContact O-CD2 3.4Å; L236-Y240 VanDerWaalsContact O-CG 3.29Å; L236-Y240 PolarHBondContact O-N 2.92Å; L236-A272 HydrophobicContact CB-CB 4.36Å
237Y91.8Very high89.4Confident19 Ų1956.9 Ų56.98%0.07529%0.285CS..Hα-helixtrans-51.7-50.5173.7171.9-84.8000111.7S233 T235 L239 Y240 E241 M269 V278 S282S233-Y237 WeakPolarHBondContact O-CB 3.38Å; S233-Y237 PolarHBondContact O-N 3.24Å; T235-Y237 PolarHBondContact O-N 2.75Å; Y237-L239 VanDerWaalsContact C-N 3.34Å; Y237-L239 PolarHBondContact O-N 2.96Å; Y237-Y240 PolarHBondContact O-N 3.31Å; Y237-E241 WeakPolarHBondContact O-CB 3.45Å; Y237-E241 PolarHBondContact O-N 3.04Å; Y237-M269 HydrophobicContact CD2-CE 4.41Å; Y237-M269 HydrophobicContact CD2-CG 3.71Å; Y237-M269 WeakPolarHBondContact CD2-O 3.2Å; Y237-M269 HydrophobicContact CE1-CE 3.97Å; Y237-M269 HydrophobicContact CE2-CE 3.64Å; Y237-M269 HydrophobicContact CE2-CG 3.75Å; Y237-M269 HydrophobicContact CG-CG 4.35Å; Y237-M269 VanDerWaalsContact OH-CE 3.24Å; Y237-M269 WeakPolarHBondContact OH-CE 3.29Å; Y237-V278 HydrophobicContact CE1-CG1 4.33Å; Y237-V278 HydrophobicContact CE2-CG1 4.12Å; Y237-S282 WeakPolarHBondContact OH-CB 3.09Å
238K92.2Very high89Confident110 Ų11057.5 Ų57.548%0.47829%0.29SS..Hα-helixtrans-69.3-26.3-179.9-67.8175-178176.30114L234 T235 L236 K242L234-K238 WeakPolarHBondContact O-CG 3.47Å; L234-K238 PolarHBondContact O-N 3.3Å; T235-K238 PolarHBondContact O-N 2.9Å; L236-K238 VanDerWaalsContact C-N 3.34Å; L236-K238 PolarHBondContact O-N 3.15Å; K238-K242 WeakPolarHBondContact O-CG 3.28Å; K238-K242 PolarHBondContact O-N 3.42Å
239L93.1Very high88.7Confident14 Ų1454.8 Ų54.87%0.07329%0.286CS..Hα-helixtrans-78.4-38174.5-70.2170.2000111.4L223 Q226 V227 C230 T235 L236 Y237 L243L223-L239 HydrophobicContact CD2-CD2 3.79Å; Q226-L239 HydrophobicContact CB-CD1 4.08Å; Q226-L239 HydrophobicContact CB-CD2 4.09Å; V227-L239 HydrophobicContact CG2-CB 3.61Å; V227-L239 HydrophobicContact CG2-CD1 4.12Å; V227-L239 HydrophobicContact CG2-CG 4.45Å; C230-L239 HydrophobicContact CB-CD1 4.16Å; T235-L239 HydrophobicContact CG2-CD1 4.09Å; T235-L239 HydrophobicContact CG2-CG 4.46Å; T235-L239 WeakPolarHBondContact O-CG 3.5Å; T235-L239 PolarHBondContact O-N 2.98Å; L236-L239 PolarHBondContact O-N 3.41Å; L236-L239 VanDerWaalsContact O-N 3.15Å; Y237-L239 VanDerWaalsContact C-N 3.34Å; Y237-L239 PolarHBondContact O-N 2.96Å; L239-L243 WeakPolarHBondContact O-CB 3.33Å; L239-L243 WeakPolarHBondContact O-CG 3.44Å; L239-L243 PolarHBondContact O-N 2.8Å
240Y93.6Very high88Confident39 Ų3953.9 Ų53.915%0.15328%0.278CS..Hα-helixtrans-69.6-36.6174.6-66.5-38.4000112.8V227 L236 Y237 L243 G244 Y265 R268 A272V227-Y240 HydrophobicContact CB-CE1 4.45Å; V227-Y240 HydrophobicContact CG1-CD1 4.45Å; V227-Y240 HydrophobicContact CG1-CE1 3.54Å; V227-Y240 HydrophobicContact CG2-CD1 4.08Å; V227-Y240 HydrophobicContact CG2-CE1 3.96Å; L236-Y240 HydrophobicContact CB-CD2 4.35Å; L236-Y240 HydrophobicContact CB-CE2 4.04Å; L236-Y240 HydrophobicContact CD2-CE2 4.29Å; L236-Y240 WeakPolarHBondContact O-CB 3.45Å; L236-Y240 WeakPolarHBondContact O-CD2 3.4Å; L236-Y240 VanDerWaalsContact O-CG 3.29Å; L236-Y240 PolarHBondContact O-N 2.92Å; Y237-Y240 PolarHBondContact O-N 3.31Å; Y240-L243 PolarHBondContact O-N 3.13Å; Y240-G244 PolarHBondContact O-N 2.86Å; Y240-Y265 AromaticContact CD1-CD1 3.83Å; Y240-Y265 HydrophobicContact CD1-CD1 3.83Å; Y240-Y265 HydrophobicContact CD1-CE1 4.36Å; Y240-Y265 HydrophobicContact CE1-CD1 4.35Å; Y240-R268 HydrophobicContact CD1-CB 3.97Å; Y240-R268 VanDerWaalsContact CD2-C 3.5Å; Y240-R268 HydrophobicContact CD2-CB 3.79Å; Y240-R268 VanDerWaalsContact CD2-O 3.3Å; Y240-R268 WeakPolarHBondContact CD2-O 3.07Å; Y240-R268 HydrophobicContact CE1-CB 3.87Å; Y240-R268 HydrophobicContact CE1-CG 4.39Å; Y240-R268 HydrophobicContact CE2-CB 3.73Å; Y240-R268 HydrophobicContact CG-CB 3.91Å; Y240-A272 HydrophobicContact CD2-CB 3.89Å; Y240-A272 HydrophobicContact CE2-CB 4.14Å
241E91.6Very high87.3Confident50 Ų5052.5 Ų52.523%0.23427%0.268CS..Hα-helixtrans-54-58.4168.8-169.2167-121.700110Y237 L243 G244 D245 M269 S282Y237-E241 WeakPolarHBondContact O-CB 3.45Å; Y237-E241 PolarHBondContact O-N 3.04Å; E241-L243 PolarHBondContact O-N 3.18Å; E241-G244 PolarHBondContact O-N 3.03Å; E241-G244 VanDerWaalsContact O-N 3.15Å; E241-D245 PolarHBondContact O-N 3.48Å; E241-M269 HydrophobicContact CB-CE 3.72Å; E241-M269 HydrophobicContact CB-SD 3.77Å; E241-M269 HydrophobicContact CG-CE 3.58Å; E241-M269 HydrophobicContact CG-SD 4.12Å; E241-M269 WeakPolarHBondContact OE1-CE 3.5Å; E241-S282 PolarHBondContact OE1-OG 3.12Å
242K91.8Very high86.2Confident120 Ų12044.3 Ų44.352%0.52224%0.235SC..Hα-helixtrans-59.1-38.8178.2-71.4178.6176.8-170.50114.7L223 K238 L246L223-K242 HydrophobicContact CD1-CB 4.01Å; L223-K242 HydrophobicContact CD2-CD 4.13Å; K238-K242 WeakPolarHBondContact O-CG 3.28Å; K238-K242 PolarHBondContact O-N 3.42Å; K242-L246 WeakPolarHBondContact O-CB 3.49Å; K242-L246 PolarHBondContact O-N 3.37Å
243L90.8Very high84.8Confident0 Ų041.8 Ų41.80%022%0.224CC..Hα-helixtrans-69.5-41.1177-78.9167.1000111.2A220 L223 V227 L239 Y240 E241 L246 F247 Y265A220-L243 HydrophobicContact CB-CD2 4.25Å; A220-L243 WeakPolarHBondContact O-CD2 3.42Å; L223-L243 HydrophobicContact CB-CD1 4.31Å; L223-L243 HydrophobicContact CB-CD2 3.74Å; L223-L243 HydrophobicContact CB-CG 3.91Å; L223-L243 HydrophobicContact CD1-CD2 4.4Å; V227-L243 HydrophobicContact CG2-CD1 3.64Å; L239-L243 WeakPolarHBondContact O-CB 3.33Å; L239-L243 WeakPolarHBondContact O-CG 3.44Å; L239-L243 PolarHBondContact O-N 2.8Å; Y240-L243 PolarHBondContact O-N 3.13Å; E241-L243 PolarHBondContact O-N 3.18Å; L243-L246 PolarHBondContact O-N 3.37Å; L243-F247 HydrophobicContact CD2-CE2 4.46Å; L243-F247 WeakPolarHBondContact O-CD2 3.48Å; L243-F247 PolarHBondContact O-N 3Å; L243-Y265 HydrophobicContact CB-CD1 3.69Å; L243-Y265 HydrophobicContact CB-CD2 4.17Å; L243-Y265 HydrophobicContact CB-CE1 4.05Å; L243-Y265 HydrophobicContact CB-CG 3.74Å; L243-Y265 HydrophobicContact CD1-CD1 3.88Å; L243-Y265 HydrophobicContact CD1-CE1 3.54Å; L243-Y265 HydrophobicContact CG-CD1 4.4Å; L243-Y265 HydrophobicContact CG-CE1 4.32Å
244G89Confident83.2Confident0 Ų047 Ų470%025%0.249CC..Hα-helixtrans-56.6-49.3172.200000111.6Y240 E241 L246 F247 S248 Y266Y240-G244 PolarHBondContact O-N 2.86Å; E241-G244 PolarHBondContact O-N 3.03Å; E241-G244 VanDerWaalsContact O-N 3.15Å; G244-L246 VanDerWaalsContact C-N 3.35Å; G244-L246 PolarHBondContact O-N 3.11Å; G244-F247 CarbonylContact O-C 3.36Å; G244-F247 PolarHBondContact O-N 3.36Å; G244-F247 VanDerWaalsContact O-N 3.07Å; G244-S248 PolarHBondContact O-N 3.38Å; G244-S248 PolarHBondContact O-OG 2.85Å; G244-S248 VanDerWaalsContact O-OG 3.12Å; G244-Y266 VanDerWaalsContact C-OH 3.22Å; G244-Y266 PolarHBondContact O-OH 3Å
245D87Confident81.5Confident75 Ų7548.9 Ų48.940%0.40126%0.259SS..Hα-helixtrans-64.7-35.7180-61.8-17.7000113.2E241 S248 G249 Y266E241-D245 PolarHBondContact O-N 3.48Å; D245-S248 WeakPolarHBondContact CA-OG 3.5Å; D245-S248 PolarHBondContact O-OG 3.01Å; D245-G249 PolarHBondContact O-N 3.39Å; D245-G249 VanDerWaalsContact O-N 3.16Å; D245-Y266 WeakPolarHBondContact CA-OH 3.32Å; D245-Y266 PolarHBondContact N-OH 2.88Å; D245-Y266 WeakPolarHBondContact OD1-CE1 3.45Å; D245-Y266 PolarHBondContact OD1-OH 2.96Å
246L86.9Confident80.2Confident12 Ų1246.3 Ų46.36%0.06324%0.243CC..Iπ-helixtrans-63.4-40.1171-94.1155000111.6A220 L223 K242 L243 G244 Q250 L251A220-L246 HydrophobicContact CB-CD1 4.16Å; L223-L246 HydrophobicContact CD1-CD1 3.34Å; K242-L246 WeakPolarHBondContact O-CB 3.49Å; K242-L246 PolarHBondContact O-N 3.37Å; L243-L246 PolarHBondContact O-N 3.37Å; G244-L246 VanDerWaalsContact C-N 3.35Å; G244-L246 PolarHBondContact O-N 3.11Å; L246-Q250 HydrophobicContact CD2-CB 4.02Å; L246-Q250 CarbonylContact O-C 3.43Å; L246-Q250 PolarHBondContact O-N 2.55Å; L246-Q250 VanDerWaalsContact O-N 3.16Å; L246-L251 HydrophobicContact CB-CD1 4.45Å; L246-L251 VanDerWaalsContact O-CB 3.31Å; L246-L251 WeakPolarHBondContact O-CB 3.25Å; L246-L251 PolarHBondContact O-N 3.26Å
247F85.6Confident79.2Confident0 Ų049.1 Ų49.10%025%0.254CS..Iπ-helixtrans-84.1-31.5-179.6-74.7-64.7000114.5L181 Y186 L243 G244 L251 S252 Q258 L261 A262 Y265L181-F247 HydrophobicContact CD2-CE1 4.44Å; Y186-F247 HydrophobicContact CE1-CE2 4.48Å; Y186-F247 AromaticContact CE1-CZ 3.84Å; Y186-F247 HydrophobicContact CE1-CZ 3.84Å; Y186-F247 WeakPolarHBondContact OH-CE2 3.24Å; Y186-F247 WeakPolarHBondContact OH-CZ 3.45Å; L243-F247 HydrophobicContact CD2-CE2 4.46Å; L243-F247 WeakPolarHBondContact O-CD2 3.48Å; L243-F247 PolarHBondContact O-N 3Å; G244-F247 CarbonylContact O-C 3.36Å; G244-F247 PolarHBondContact O-N 3.36Å; G244-F247 VanDerWaalsContact O-N 3.07Å; F247-L251 HydrophobicContact CD1-CB 4.04Å; F247-L251 HydrophobicContact CD1-CD1 3.8Å; F247-L251 HydrophobicContact CE1-CB 4.41Å; F247-L251 HydrophobicContact CE1-CD1 3.52Å; F247-L251 HydrophobicContact CZ-CD1 4Å; F247-S252 PolarHBondContact O-OG 2.71Å; F247-Q258 HydrophobicContact CB-CB 4.26Å; F247-Q258 HydrophobicContact CD1-CB 3.83Å; F247-Q258 HydrophobicContact CD1-CG 4.28Å; F247-Q258 WeakPolarHBondContact O-CB 3.46Å; F247-L261 HydrophobicContact CB-CB 4.14Å; F247-L261 HydrophobicContact CD1-CB 4.02Å; F247-L261 HydrophobicContact CD1-CD1 3.88Å; F247-L261 HydrophobicContact CD2-CB 3.95Å; F247-L261 HydrophobicContact CD2-CD1 4.45Å; F247-L261 HydrophobicContact CE1-CB 4.41Å; F247-L261 HydrophobicContact CE1-CD1 3.49Å; F247-L261 VanDerWaalsContact CE1-CD1 3.49Å; F247-L261 HydrophobicContact CE2-CB 4.37Å; F247-L261 HydrophobicContact CE2-CD1 4.14Å; F247-L261 HydrophobicContact CG-CB 3.77Å; F247-L261 HydrophobicContact CG-CD1 4.34Å; F247-L261 HydrophobicContact CZ-CD1 3.65Å; F247-A262 HydrophobicContact CB-CB 3.98Å; F247-Y265 AromaticContact CD2-CD2 3.61Å; F247-Y265 HydrophobicContact CD2-CD2 3.61Å; F247-Y265 AromaticContact CD2-CE2 3.72Å; F247-Y265 HydrophobicContact CD2-CE2 3.72Å; F247-Y265 AromaticContact CE2-CD2 3.85Å; F247-Y265 HydrophobicContact CE2-CD2 3.85Å; F247-Y265 AromaticContact CE2-CE2 3.43Å; F247-Y265 HydrophobicContact CE2-CE2 3.43Å; F247-Y265 VanDerWaalsContact CE2-CE2 3.43Å; F247-Y265 HydrophobicContact CZ-CE2 4.45Å
248S81.4Confident78.6Confident26 Ų2648.3 Ų48.318%0.18225%0.251CS..Iπ-helixtrans-71-48.7177.157.90000110.8G244 D245 S252 H259 Y266G244-S248 PolarHBondContact O-N 3.38Å; G244-S248 PolarHBondContact O-OG 2.85Å; G244-S248 VanDerWaalsContact O-OG 3.12Å; D245-S248 WeakPolarHBondContact CA-OG 3.5Å; D245-S248 PolarHBondContact O-OG 3.01Å; S248-S252 PolarHBondContact O-OG 2.87Å; S248-H259 PolarHBondContact O-CE1 2.85Å; S248-Y266 PolarHBondContact OG-OH 3.24Å
249G78.5Confident77.9Confident44 Ų4443.9 Ų43.945%0.45423%0.232SC..Iπ-helixtrans-95.7-80.6177.800000113.3D245 L251 S252D245-G249 PolarHBondContact O-N 3.39Å; D245-G249 VanDerWaalsContact O-N 3.16Å; G249-L251 PolarHBondContact O-N 2.78Å; G249-S252 WeakPolarHBondContact O-CB 3.3Å; G249-S252 PolarHBondContact O-N 2.99Å; G249-S252 VanDerWaalsContact O-N 3.11Å
250Q72.1Confident77.4Confident116 Ų11649.5 Ų49.554%0.54225%0.253SS..Iπ-helixtrans-64.8-39.3-155.9-71.3-16417.400116.2Q216 L246Q216-Q250 VanDerWaalsContact CD-O 3.3Å; Q216-Q250 PolarHBondContact NE2-O 3.18Å; Q216-Q250 PolarHBondContact OE1-O 3.47Å; L246-Q250 HydrophobicContact CD2-CB 4.02Å; L246-Q250 CarbonylContact O-C 3.43Å; L246-Q250 PolarHBondContact O-N 2.55Å; L246-Q250 VanDerWaalsContact O-N 3.16Å
251L74.2Confident77Confident1 Ų148 Ų481%0.00525%0.247CC..THydrogen-bonded Turntrans-91.2-0.5178.6-72.2171.5000112.9H178 L181 L213 Q216 I217 A220 L246 F247 G249 Q258H178-L251 PolarHBondContact CE1-O 2.94Å; L181-L251 HydrophobicContact CD1-CD2 4.15Å; L213-L251 HydrophobicContact CD1-CD2 3.76Å; Q216-L251 HydrophobicContact CB-CD2 3.45Å; Q216-L251 VanDerWaalsContact CB-CD2 3.45Å; Q216-L251 HydrophobicContact CB-CG 4.12Å; I217-L251 HydrophobicContact CG1-CD2 3.94Å; A220-L251 HydrophobicContact CB-CD1 3.69Å; L246-L251 HydrophobicContact CB-CD1 4.45Å; L246-L251 VanDerWaalsContact O-CB 3.31Å; L246-L251 WeakPolarHBondContact O-CB 3.25Å; L246-L251 PolarHBondContact O-N 3.26Å; F247-L251 HydrophobicContact CD1-CB 4.04Å; F247-L251 HydrophobicContact CD1-CD1 3.8Å; F247-L251 HydrophobicContact CE1-CB 4.41Å; F247-L251 HydrophobicContact CE1-CD1 3.52Å; F247-L251 HydrophobicContact CZ-CD1 4Å; G249-L251 PolarHBondContact O-N 2.78Å; L251-Q258 VanDerWaalsContact O-CG 3.29Å; L251-Q258 WeakPolarHBondContact O-CG 3.36Å
252S59.5Low76.8Confident23 Ų2345.7 Ų45.716%0.16124%0.236CC..  trans-83.7129.7162.6-72.40000109F247 S248 G249 I256 K257 Q258 H259F247-S252 PolarHBondContact O-OG 2.71Å; S248-S252 PolarHBondContact O-OG 2.87Å; G249-S252 WeakPolarHBondContact O-CB 3.3Å; G249-S252 PolarHBondContact O-N 2.99Å; G249-S252 VanDerWaalsContact O-N 3.11Å; S252-I256 WeakPolarHBondContact CA-O 3.48Å; S252-K257 WeakPolarHBondContact OG-CA 3.48Å; S252-Q258 PolarHBondContact OG-N 2.97Å; S252-H259 PolarHBondContact OG-CE1 3.24Å
253S60.8Low76.7Confident27 Ų2741.1 Ų41.119%0.18922%0.217CC..  trans-98.3166.2163.152.20000110H178 D255 I256H178-S253 PolarHBondContact NE2-OG 3.11Å; S253-D255 PolarHBondContact O-N 3.24Å; S253-I256 PolarHBondContact N-O 3.07Å; S253-I256 CarbonylContact O-C 3.59Å; S253-I256 VanDerWaalsContact O-C 3.31Å; S253-I256 PolarHBondContact O-N 3.33Å; S253-I256 WeakPolarHBondContact OG-CB 3.4Å; S253-I256 PolarHBondContact OG-N 2.93Å; S253-I256 VanDerWaalsContact OG-N 3.11Å; S253-I256 PolarHBondContact OG-O 3.37Å
254D55.4Low76.6Confident146 Ų14643.7 Ų43.778%0.78123%0.233SC*.SBendtrans-54.1-41.1178.4-46.3-68.4000111.1
255D54.3Low76.7Confident112 Ų11243.7 Ų43.760%0.59923%0.233SC*.SBendtrans-80.8-40.8178-45.1-74.4000112.3M138 K209 S253M138-D255 WeakPolarHBondContact CE-O 3.42Å; K209-D255 IonicContact NZ-OD2 3.86Å; S253-D255 PolarHBondContact O-N 3.24Å
256I62.9Low77.1Confident9 Ų940.4 Ų40.45%0.04622%0.215CC..  trans-123.989.3-172.6-62.1167.4000111.7M138 R141 M175 H178 S252 S253M138-I256 HydrophobicContact CE-CG1 4.1Å; M138-I256 HydrophobicContact SD-CD1 4.44Å; M138-I256 HydrophobicContact SD-CG1 3.81Å; R141-I256 VanDerWaalsContact NH1-CG2 3.33Å; M175-I256 HydrophobicContact CB-CD1 4.15Å; M175-I256 HydrophobicContact CG-CD1 4.27Å; H178-I256 HydrophobicContact CB-CB 4.39Å; H178-I256 HydrophobicContact CB-CD1 4.18Å; H178-I256 HydrophobicContact CB-CG2 3.52Å; S252-I256 WeakPolarHBondContact CA-O 3.48Å; S253-I256 PolarHBondContact N-O 3.07Å; S253-I256 CarbonylContact O-C 3.59Å; S253-I256 VanDerWaalsContact O-C 3.31Å; S253-I256 PolarHBondContact O-N 3.33Å; S253-I256 WeakPolarHBondContact OG-CB 3.4Å; S253-I256 PolarHBondContact OG-N 2.93Å; S253-I256 VanDerWaalsContact OG-N 3.11Å; S253-I256 PolarHBondContact OG-O 3.37Å
257K71.7Confident77.3Confident89 Ų8941 Ų4139%0.38722%0.224SC..  trans-67.2146.1166-73.6-175.7167.7-152.10112.5R141 S252 H259 D293R141-K257 PolarHBondContact NH2-O 3.19Å; S252-K257 WeakPolarHBondContact OG-CA 3.48Å; K257-H259 PolarHBondContact NZ-NE2 2.85Å; K257-H259 VanDerWaalsContact NZ-NE2 3.15Å; K257-D293 PolarHBondContact NZ-O 2.94Å; K257-D293 IonicContact NZ-OD2 3.4Å; K257-D293 PolarHBondContact NZ-OD2 3.4Å
258Q77.4Confident77.6Confident2 Ų244.5 Ų44.51%0.00924%0.237CC..  trans-114.723178.7-66.3-68-7.800113.1H178 F247 L251 S252 R260 L261 A262H178-Q258 PolarHBondContact ND1-NE2 3.47Å; H178-Q258 PolarHBondContact O-NE2 3.26Å; F247-Q258 HydrophobicContact CB-CB 4.26Å; F247-Q258 HydrophobicContact CD1-CB 3.83Å; F247-Q258 HydrophobicContact CD1-CG 4.28Å; F247-Q258 WeakPolarHBondContact O-CB 3.46Å; L251-Q258 VanDerWaalsContact O-CG 3.29Å; L251-Q258 WeakPolarHBondContact O-CG 3.36Å; S252-Q258 PolarHBondContact OG-N 2.97Å; Q258-R260 PolarHBondContact O-N 3.23Å; Q258-L261 PolarHBondContact O-N 3.19Å; Q258-A262 PolarHBondContact O-N 3.47Å
259H79.4Confident78.2Confident16 Ų1643.3 Ų43.37%0.07423%0.229CC..Hα-helixtrans-54.9-28-172.9-66.622.8000114.6S248 S252 K257 L261 A262 I263 T290 D293 M294S248-H259 PolarHBondContact O-CE1 2.85Å; S252-H259 PolarHBondContact OG-CE1 3.24Å; K257-H259 PolarHBondContact NZ-NE2 2.85Å; K257-H259 VanDerWaalsContact NZ-NE2 3.15Å; H259-L261 PolarHBondContact O-N 3.39Å; H259-A262 PolarHBondContact O-N 3.2Å; H259-I263 WeakPolarHBondContact O-CB 3.34Å; H259-I263 PolarHBondContact O-N 2.93Å; H259-T290 HydrophobicContact CB-CG2 3.65Å; H259-D293 WeakPolarHBondContact NE2-CB 3.44Å; H259-D293 IonicContact NE2-OD2 3.36Å; H259-D293 PolarHBondContact NE2-OD2 3.36Å; H259-M294 HydrophobicContact CB-CG 3.59Å; H259-M294 HydrophobicContact CB-SD 3.51Å; H259-M294 VanDerWaalsContact CB-SD 3.51Å
260R81Confident78.8Confident133 Ų13342.6 Ų42.650%0.50221%0.214SC..Hα-helixtrans-59.8-42.5172.8-169.1-176.2-167.8-176.49.5112.4G144 D146 Q258 T264G144-R260 VanDerWaalsContact CA-NH1 3.29Å; G144-R260 PolarHBondContact O-NH1 3.12Å; D146-R260 IonicContact OD2-CZ 2.67Å; D146-R260 IonicContact OD2-NH1 2.82Å; D146-R260 PolarHBondContact OD2-NH1 3.46Å; Q258-R260 PolarHBondContact O-N 3.23Å; R260-T264 PolarHBondContact O-N 3.05Å; R260-T264 VanDerWaalsContact O-N 3.13Å; R260-T264 PolarHBondContact O-OG1 2.72Å
261L85.7Confident79.7Confident8 Ų842.7 Ų42.74%0.04222%0.219CC..Hα-helixtrans-76.3-39.8176.4-77.1-179.7000111.8L181 E184 F247 Q258 H259 I263 T264 Y265L181-L261 VanDerWaalsContact O-CD1 3.24Å; L181-L261 WeakPolarHBondContact O-CD1 3.29Å; E184-L261 HydrophobicContact CG-CD2 4.02Å; F247-L261 HydrophobicContact CB-CB 4.14Å; F247-L261 HydrophobicContact CD1-CB 4.02Å; F247-L261 HydrophobicContact CD1-CD1 3.88Å; F247-L261 HydrophobicContact CD2-CB 3.95Å; F247-L261 HydrophobicContact CD2-CD1 4.45Å; F247-L261 HydrophobicContact CE1-CB 4.41Å; F247-L261 HydrophobicContact CE1-CD1 3.49Å; F247-L261 VanDerWaalsContact CE1-CD1 3.49Å; F247-L261 HydrophobicContact CE2-CB 4.37Å; F247-L261 HydrophobicContact CE2-CD1 4.14Å; F247-L261 HydrophobicContact CG-CB 3.77Å; F247-L261 HydrophobicContact CG-CD1 4.34Å; F247-L261 HydrophobicContact CZ-CD1 3.65Å; Q258-L261 PolarHBondContact O-N 3.19Å; H259-L261 PolarHBondContact O-N 3.39Å; L261-I263 VanDerWaalsContact C-N 3.29Å; L261-I263 PolarHBondContact O-N 2.88Å; L261-T264 CarbonylContact O-C 3.59Å; L261-T264 WeakPolarHBondContact O-CA 3.16Å; L261-T264 WeakPolarHBondContact O-CB 3.39Å; L261-T264 PolarHBondContact O-N 3.28Å; L261-Y265 HydrophobicContact CB-CD2 4.37Å; L261-Y265 HydrophobicContact CB-CE2 4.42Å; L261-Y265 HydrophobicContact CD2-CE2 4.31Å; L261-Y265 WeakPolarHBondContact O-CD2 3.36Å; L261-Y265 PolarHBondContact O-N 3.38Å
262A88.5Confident80.4Confident0 Ų043 Ų430%022%0.222CC..Hα-helixtrans-53.7-47.9173.400000111.2F247 Q258 H259 T264 Y265 Y266 T290F247-A262 HydrophobicContact CB-CB 3.98Å; Q258-A262 PolarHBondContact O-N 3.47Å; H259-A262 PolarHBondContact O-N 3.2Å; A262-T264 VanDerWaalsContact C-N 3.34Å; A262-T264 PolarHBondContact O-N 3.14Å; A262-Y265 PolarHBondContact O-N 3.27Å; A262-Y266 HydrophobicContact CB-CD2 4.25Å; A262-Y266 HydrophobicContact CB-CE2 3.95Å; A262-Y266 WeakPolarHBondContact O-CB 3.37Å; A262-Y266 WeakPolarHBondContact O-CD2 3.37Å; A262-Y266 VanDerWaalsContact O-CG 3.31Å; A262-Y266 PolarHBondContact O-N 3.25Å; A262-T290 HydrophobicContact CB-CG2 3.97Å
263I88.1Confident82Confident25 Ų2542 Ų4213%0.12821%0.214CC..Hα-helixtrans-61.7-37.3173.1-80.2154.2000113H259 L261 G267 L287 T290 Y291 M294H259-I263 WeakPolarHBondContact O-CB 3.34Å; H259-I263 PolarHBondContact O-N 2.93Å; L261-I263 VanDerWaalsContact C-N 3.29Å; L261-I263 PolarHBondContact O-N 2.88Å; I263-G267 WeakPolarHBondContact O-CA 3.28Å; I263-G267 PolarHBondContact O-N 3.41Å; I263-L287 HydrophobicContact CB-CD2 4.03Å; I263-L287 HydrophobicContact CG1-CD2 3.68Å; I263-L287 HydrophobicContact CG2-CD2 4.07Å; I263-T290 HydrophobicContact CD1-CG2 3.7Å; I263-T290 HydrophobicContact CG1-CG2 3.71Å; I263-Y291 HydrophobicContact CD1-CD1 3.63Å; I263-Y291 HydrophobicContact CD1-CD2 4.32Å; I263-Y291 HydrophobicContact CD1-CE1 3.53Å; I263-Y291 HydrophobicContact CD1-CE2 4.21Å; I263-Y291 HydrophobicContact CD1-CG 4.03Å; I263-Y291 HydrophobicContact CG1-CD2 4.48Å; I263-Y291 HydrophobicContact CG1-CE1 4.32Å; I263-Y291 HydrophobicContact CG1-CE2 4.19Å; I263-M294 HydrophobicContact CD1-CE 3.2Å; I263-M294 HydrophobicContact CD1-SD 4.38Å
264T89.2Confident83.2Confident53 Ų5345.2 Ų45.233%0.32524%0.237SC..Hα-helixtrans-64.9-40.9176.2-60.80000111.3R260 L261 A262 R268R260-T264 PolarHBondContact O-N 3.05Å; R260-T264 VanDerWaalsContact O-N 3.13Å; R260-T264 PolarHBondContact O-OG1 2.72Å; L261-T264 CarbonylContact O-C 3.59Å; L261-T264 WeakPolarHBondContact O-CA 3.16Å; L261-T264 WeakPolarHBondContact O-CB 3.39Å; L261-T264 PolarHBondContact O-N 3.28Å; A262-T264 VanDerWaalsContact C-N 3.34Å; A262-T264 PolarHBondContact O-N 3.14Å; T264-R268 VanDerWaalsContact O-CG 3.27Å; T264-R268 WeakPolarHBondContact O-CG 3.43Å; T264-R268 PolarHBondContact O-N 3.05Å
265Y92Very high84.8Confident0 Ų041.6 Ų41.60%023%0.227CC..Hα-helixtrans-76.3-43.6178.7-75.3-69.4000112.8E184 Y186 Y224 Y240 L243 F247 L261 A262 G267 R268 M269E184-Y265 PolarHBondContact OE1-OH 3.05Å; Y186-Y265 PolarHBondContact OH-OH 2.97Å; Y224-Y265 VanDerWaalsContact CD2-OH 3.24Å; Y224-Y265 WeakPolarHBondContact CD2-OH 3.43Å; Y240-Y265 AromaticContact CD1-CD1 3.83Å; Y240-Y265 HydrophobicContact CD1-CD1 3.83Å; Y240-Y265 HydrophobicContact CD1-CE1 4.36Å; Y240-Y265 HydrophobicContact CE1-CD1 4.35Å; L243-Y265 HydrophobicContact CB-CD1 3.69Å; L243-Y265 HydrophobicContact CB-CD2 4.17Å; L243-Y265 HydrophobicContact CB-CE1 4.05Å; L243-Y265 HydrophobicContact CB-CG 3.74Å; L243-Y265 HydrophobicContact CD1-CD1 3.88Å; L243-Y265 HydrophobicContact CD1-CE1 3.54Å; L243-Y265 HydrophobicContact CG-CD1 4.4Å; L243-Y265 HydrophobicContact CG-CE1 4.32Å; F247-Y265 AromaticContact CD2-CD2 3.61Å; F247-Y265 HydrophobicContact CD2-CD2 3.61Å; F247-Y265 AromaticContact CD2-CE2 3.72Å; F247-Y265 HydrophobicContact CD2-CE2 3.72Å; F247-Y265 AromaticContact CE2-CD2 3.85Å; F247-Y265 HydrophobicContact CE2-CD2 3.85Å; F247-Y265 AromaticContact CE2-CE2 3.43Å; F247-Y265 HydrophobicContact CE2-CE2 3.43Å; F247-Y265 VanDerWaalsContact CE2-CE2 3.43Å; F247-Y265 HydrophobicContact CZ-CE2 4.45Å; L261-Y265 HydrophobicContact CB-CD2 4.37Å; L261-Y265 HydrophobicContact CB-CE2 4.42Å; L261-Y265 HydrophobicContact CD2-CE2 4.31Å; L261-Y265 WeakPolarHBondContact O-CD2 3.36Å; L261-Y265 PolarHBondContact O-N 3.38Å; A262-Y265 PolarHBondContact O-N 3.27Å; Y265-G267 PolarHBondContact O-N 3.23Å; Y265-R268 VanDerWaalsContact CZ-NH1 3.25Å; Y265-R268 CarbonylContact O-C 3.59Å; Y265-R268 PolarHBondContact O-N 3.2Å; Y265-R268 PolarHBondContact OH-NH1 3.38Å; Y265-M269 WeakPolarHBondContact O-CB 3.47Å; Y265-M269 PolarHBondContact O-N 3.45Å
266Y93.5Very high86.4Confident6 Ų638 Ų382%0.02421%0.213CC..Hα-helixtrans-65.7-26.2171.3-58.8-50.2000112.4G244 D245 S248 A262 M269 L270 S286 T290G244-Y266 VanDerWaalsContact C-OH 3.22Å; G244-Y266 PolarHBondContact O-OH 3Å; D245-Y266 WeakPolarHBondContact CA-OH 3.32Å; D245-Y266 PolarHBondContact N-OH 2.88Å; D245-Y266 WeakPolarHBondContact OD1-CE1 3.45Å; D245-Y266 PolarHBondContact OD1-OH 2.96Å; S248-Y266 PolarHBondContact OG-OH 3.24Å; A262-Y266 HydrophobicContact CB-CD2 4.25Å; A262-Y266 HydrophobicContact CB-CE2 3.95Å; A262-Y266 WeakPolarHBondContact O-CB 3.37Å; A262-Y266 WeakPolarHBondContact O-CD2 3.37Å; A262-Y266 VanDerWaalsContact O-CG 3.31Å; A262-Y266 PolarHBondContact O-N 3.25Å; Y266-M269 HydrophobicContact CD1-SD 3.95Å; Y266-M269 WeakPolarHBondContact O-CB 3.49Å; Y266-M269 PolarHBondContact O-N 2.99Å; Y266-L270 PolarHBondContact O-N 3.22Å; Y266-S286 VanDerWaalsContact CE1-CB 3.48Å; Y266-S286 VanDerWaalsContact CZ-CB 3.44Å; Y266-T290 WeakPolarHBondContact CE2-OG1 3.36Å
267G92.2Very high87.6Confident25 Ų2541.1 Ų41.126%0.25825%0.247SC..Hα-helixtrans-66.1-52.5167.800000112I263 Y265 M269 L270 D271I263-G267 WeakPolarHBondContact O-CA 3.28Å; I263-G267 PolarHBondContact O-N 3.41Å; Y265-G267 PolarHBondContact O-N 3.23Å; G267-M269 PolarHBondContact O-N 2.88Å; G267-L270 WeakPolarHBondContact O-CB 3.24Å; G267-L270 PolarHBondContact O-N 3.46Å; G267-D271 PolarHBondContact O-N 3.44Å
268R92.7Very high88.4Confident74 Ų7439 Ų3928%0.27924%0.242SC..Hα-helixtrans-57.6-29.4172.7-70.2167.4177.3163-3.3112.1E184 Y240 T264 Y265 D271 A272E184-R268 IonicContact OE1-CZ 3.08Å; E184-R268 IonicContact OE1-NH1 2.7Å; E184-R268 PolarHBondContact OE1-NH1 3.08Å; E184-R268 IonicContact OE1-NH2 3.79Å; E184-R268 PolarHBondContact OE1-NH2 3.18Å; E184-R268 IonicContact OE2-NH1 2.69Å; E184-R268 IonicContact OE2-NH2 2.63Å; E184-R268 PolarHBondContact OE2-NH2 3.05Å; Y240-R268 HydrophobicContact CD1-CB 3.97Å; Y240-R268 VanDerWaalsContact CD2-C 3.5Å; Y240-R268 HydrophobicContact CD2-CB 3.79Å; Y240-R268 VanDerWaalsContact CD2-O 3.3Å; Y240-R268 WeakPolarHBondContact CD2-O 3.07Å; Y240-R268 HydrophobicContact CE1-CB 3.87Å; Y240-R268 HydrophobicContact CE1-CG 4.39Å; Y240-R268 HydrophobicContact CE2-CB 3.73Å; Y240-R268 HydrophobicContact CG-CB 3.91Å; T264-R268 VanDerWaalsContact O-CG 3.27Å; T264-R268 WeakPolarHBondContact O-CG 3.43Å; T264-R268 PolarHBondContact O-N 3.05Å; Y265-R268 VanDerWaalsContact CZ-NH1 3.25Å; Y265-R268 CarbonylContact O-C 3.59Å; Y265-R268 PolarHBondContact O-N 3.2Å; Y265-R268 PolarHBondContact OH-NH1 3.38Å; R268-D271 PolarHBondContact O-N 3.1Å; R268-A272 WeakPolarHBondContact O-CB 3.43Å; R268-A272 PolarHBondContact O-N 3.26Å
269M93.5Very high88.9Confident0 Ų042.1 Ų42.10%026%0.264CS..Hα-helixtrans-67.9-33.6173.9-171.5-175.6166.200112.9Y237 E241 Y265 Y266 G267 A272 S273 A283Y237-M269 HydrophobicContact CD2-CE 4.41Å; Y237-M269 HydrophobicContact CD2-CG 3.71Å; Y237-M269 WeakPolarHBondContact CD2-O 3.2Å; Y237-M269 HydrophobicContact CE1-CE 3.97Å; Y237-M269 HydrophobicContact CE2-CE 3.64Å; Y237-M269 HydrophobicContact CE2-CG 3.75Å; Y237-M269 HydrophobicContact CG-CG 4.35Å; Y237-M269 VanDerWaalsContact OH-CE 3.24Å; Y237-M269 WeakPolarHBondContact OH-CE 3.29Å; E241-M269 HydrophobicContact CB-CE 3.72Å; E241-M269 HydrophobicContact CB-SD 3.77Å; E241-M269 HydrophobicContact CG-CE 3.58Å; E241-M269 HydrophobicContact CG-SD 4.12Å; E241-M269 WeakPolarHBondContact OE1-CE 3.5Å; Y265-M269 WeakPolarHBondContact O-CB 3.47Å; Y265-M269 PolarHBondContact O-N 3.45Å; Y266-M269 HydrophobicContact CD1-SD 3.95Å; Y266-M269 WeakPolarHBondContact O-CB 3.49Å; Y266-M269 PolarHBondContact O-N 2.99Å; G267-M269 PolarHBondContact O-N 2.88Å; M269-A272 PolarHBondContact O-N 3.41Å; M269-S273 WeakPolarHBondContact O-CB 3.35Å; M269-S273 PolarHBondContact O-N 2.88Å; M269-A283 HydrophobicContact CB-CB 4.18Å; M269-A283 HydrophobicContact CE-CB 4.01Å; M269-A283 HydrophobicContact CG-CB 3.91Å; M269-A283 HydrophobicContact SD-CB 3.72Å
270L91.3Very high89.4Confident29 Ų2943.6 Ų43.615%0.15228%0.275CS..Hα-helixtrans-69.6-40.4172.6-69.5171.6000112.7Y266 G267 A272 S273 S274 P280 A283 H284 L287Y266-L270 PolarHBondContact O-N 3.22Å; G267-L270 WeakPolarHBondContact O-CB 3.24Å; G267-L270 PolarHBondContact O-N 3.46Å; L270-A272 VanDerWaalsContact C-N 3.3Å; L270-S273 PolarHBondContact O-N 3.13Å; L270-S273 PolarHBondContact O-OG 3.31Å; L270-S274 WeakPolarHBondContact O-CB 3.48Å; L270-S274 PolarHBondContact O-N 3.15Å; L270-S274 PolarHBondContact O-OG 3.12Å; L270-P280 HydrophobicContact CD2-CB 3.56Å; L270-A283 HydrophobicContact CD2-CB 3.58Å; L270-A283 HydrophobicContact CG-CB 3.84Å; L270-H284 WeakPolarHBondContact CD2-CE1 3.32Å; L270-H284 WeakPolarHBondContact CD2-ND1 3.11Å; L270-L287 HydrophobicContact CD1-CD1 3.52Å; L270-L287 HydrophobicContact CG-CD1 4.27Å
271D89.6Confident89.8Confident119 Ų11938.2 Ų38.264%0.63626%0.257SS*.Hα-helixtrans-61.7-43.5173.3-67.9-35.3000110.1G267 R268 S274 A275G267-D271 PolarHBondContact O-N 3.44Å; R268-D271 PolarHBondContact O-N 3.1Å; D271-S274 PolarHBondContact O-N 3.46Å; D271-A275 WeakPolarHBondContact O-CB 3.24Å; D271-A275 PolarHBondContact O-N 3.41Å
272A90.6Very high89.9Confident8 Ų839.8 Ų39.87%0.06627%0.269CS..Hα-helixtrans-67.8-38.7177.100000113.3L236 Y240 R268 M269 L270 S274 A275 A276L236-A272 HydrophobicContact CB-CB 4.36Å; Y240-A272 HydrophobicContact CD2-CB 3.89Å; Y240-A272 HydrophobicContact CE2-CB 4.14Å; R268-A272 WeakPolarHBondContact O-CB 3.43Å; R268-A272 PolarHBondContact O-N 3.26Å; M269-A272 PolarHBondContact O-N 3.41Å; L270-A272 VanDerWaalsContact C-N 3.3Å; A272-S274 VanDerWaalsContact C-N 3.33Å; A272-A275 PolarHBondContact O-N 3.17Å; A272-A276 WeakPolarHBondContact O-CB 3.35Å; A272-A276 PolarHBondContact O-N 2.98Å
273S91.3Very high90Very high0 Ų039.8 Ų39.80%027%0.269CS..Hα-helixtrans-64.3-42.217783.50000110.8M269 L270 A275 A276 G277 V278M269-S273 WeakPolarHBondContact O-CB 3.35Å; M269-S273 PolarHBondContact O-N 2.88Å; L270-S273 PolarHBondContact O-N 3.13Å; L270-S273 PolarHBondContact O-OG 3.31Å; S273-A275 VanDerWaalsContact C-N 3.34Å; S273-A275 PolarHBondContact O-N 3.21Å; S273-A276 PolarHBondContact O-N 2.92Å; S273-G277 PolarHBondContact O-N 2.88Å; S273-V278 WeakPolarHBondContact CB-O 3.36Å; S273-V278 PolarHBondContact O-N 3.33Å
274S87.7Confident90.3Very high96 Ų9639.6 Ų39.667%0.67127%0.267SS*.Hα-helixtrans-62.3-38.7175.9-56.60000112.2L270 D271 A272L270-S274 WeakPolarHBondContact O-CB 3.48Å; L270-S274 PolarHBondContact O-N 3.15Å; L270-S274 PolarHBondContact O-OG 3.12Å; D271-S274 PolarHBondContact O-N 3.46Å; A272-S274 VanDerWaalsContact C-N 3.33Å
275A87.7Confident90.3Very high69 Ų6939.5 Ų39.557%0.5726%0.264SS*.Hα-helixtrans-75.8-30.3175.600000113.7D271 A272 S273D271-A275 WeakPolarHBondContact O-CB 3.24Å; D271-A275 PolarHBondContact O-N 3.41Å; A272-A275 PolarHBondContact O-N 3.17Å; S273-A275 VanDerWaalsContact C-N 3.34Å; S273-A275 PolarHBondContact O-N 3.21Å
276A89.3Confident90.2Very high36 Ų3640.1 Ų40.130%0.29827%0.269SS..Hα-helixtrans-86.1-14.3179.900000114.2L234 A272 S273 V278L234-A276 HydrophobicContact CB-CB 4.32Å; A272-A276 WeakPolarHBondContact O-CB 3.35Å; A272-A276 PolarHBondContact O-N 2.98Å; S273-A276 PolarHBondContact O-N 2.92Å; A276-V278 VanDerWaalsContact C-N 3.35Å; A276-V278 HydrophobicContact CB-CB 4.43Å; A276-V278 HydrophobicContact CB-CG2 3.78Å
277G86.8Confident90.1Very high75 Ų7540 Ų4077%0.77327%0.269SS*.THydrogen-bonded Turntrans73.724.9-17100000113.6S273S273-G277 PolarHBondContact O-N 2.88Å
278V88.8Confident90Very high45 Ų4538.9 Ų38.927%0.27326%0.256SS..  trans-98.2146-178.6178.30000110.1L234 Y237 S273 A276L234-V278 HydrophobicContact CD1-CG2 3.77Å; Y237-V278 HydrophobicContact CE1-CG1 4.33Å; Y237-V278 HydrophobicContact CE2-CG1 4.12Å; S273-V278 WeakPolarHBondContact CB-O 3.36Å; S273-V278 PolarHBondContact O-N 3.33Å; A276-V278 VanDerWaalsContact C-N 3.35Å; A276-V278 HydrophobicContact CB-CB 4.43Å; A276-V278 HydrophobicContact CB-CG2 3.78Å
279S87.2Confident89.8Confident68 Ų6840.4 Ų40.448%0.47627%0.267SS..  trans-56.6125.2176.9-174.40000111.4T281S279-T281 PolarHBondContact O-N 3.3Å; S279-T281 PolarHBondContact OG-OG1 2.99Å
280P89.9Confident89.4Confident46 Ų4640.7 Ų40.730%0.29927%0.268SS..THydrogen-bonded Turntrans-72.6-2.8179.730.2-35.7000113.8L270 S282 A283 H284L270-P280 HydrophobicContact CD2-CB 3.56Å; P280-S282 PolarHBondContact O-N 2.88Å; P280-A283 PolarHBondContact O-N 3.36Å; P280-H284 PolarHBondContact O-N 3.03Å
281T90.1Very high89.1Confident20 Ų2041.3 Ų41.312%0.12327%0.269CS..Hα-helixtrans-55.9-45.1-169.3-49.50000113.2S279 A283 H284 I285 T307 S310 E311S279-T281 PolarHBondContact O-N 3.3Å; S279-T281 PolarHBondContact OG-OG1 2.99Å; T281-A283 PolarHBondContact O-N 3.12Å; T281-H284 PolarHBondContact O-N 3.44Å; T281-H284 VanDerWaalsContact O-N 3.16Å; T281-I285 HydrophobicContact CG2-CD1 4.17Å; T281-I285 WeakPolarHBondContact O-CG1 3.24Å; T281-I285 PolarHBondContact O-N 2.91Å; T281-T307 HydrophobicContact CG2-CG2 3.91Å; T281-S310 WeakPolarHBondContact CG2-OG 3.41Å; T281-S310 WeakPolarHBondContact OG1-CB 3.32Å; T281-S310 PolarHBondContact OG1-OG 2.92Å; T281-E311 HydrophobicContact CG2-CG 4.19Å
282S88.3Confident88.8Confident42 Ų4236.4 Ų36.429%0.29424%0.244SC..Hα-helixtrans-55.6-53.4176.9-171.80000111.1Y237 E241 P280 H284 I285 S286Y237-S282 WeakPolarHBondContact OH-CB 3.09Å; E241-S282 PolarHBondContact OE1-OG 3.12Å; P280-S282 PolarHBondContact O-N 2.88Å; S282-H284 VanDerWaalsContact C-N 3.27Å; S282-H284 PolarHBondContact O-N 2.65Å; S282-I285 WeakPolarHBondContact O-CB 3.16Å; S282-I285 PolarHBondContact O-N 3.21Å; S282-I285 VanDerWaalsContact O-N 3.08Å; S282-S286 PolarHBondContact O-N 3.34Å; S282-S286 PolarHBondContact O-OG 3.33Å; S282-S286 VanDerWaalsContact O-OG 3.11Å
283A91.2Very high88.2Confident0 Ų039.8 Ų39.80%026%0.261CS..Hα-helixtrans-63.4-29.817900000113.3M269 L270 P280 T281 L287M269-A283 HydrophobicContact CB-CB 4.18Å; M269-A283 HydrophobicContact CE-CB 4.01Å; M269-A283 HydrophobicContact CG-CB 3.91Å; M269-A283 HydrophobicContact SD-CB 3.72Å; L270-A283 HydrophobicContact CD2-CB 3.58Å; L270-A283 HydrophobicContact CG-CB 3.84Å; P280-A283 PolarHBondContact O-N 3.36Å; T281-A283 PolarHBondContact O-N 3.12Å; A283-L287 VanDerWaalsContact O-CB 3.27Å; A283-L287 WeakPolarHBondContact O-CB 3.3Å; A283-L287 WeakPolarHBondContact O-CD1 3.4Å; A283-L287 WeakPolarHBondContact O-CG 3.39Å; A283-L287 PolarHBondContact O-N 2.74Å
284H93.6Very high87.5Confident20 Ų2042 Ų429%0.09327%0.272CS..Hα-helixtrans-73.6-34.8172.5-75.8-14.4000113.6L270 P280 T281 S282 S288 H303 K306 T307L270-H284 WeakPolarHBondContact CD2-CE1 3.32Å; L270-H284 WeakPolarHBondContact CD2-ND1 3.11Å; P280-H284 PolarHBondContact O-N 3.03Å; T281-H284 PolarHBondContact O-N 3.44Å; T281-H284 VanDerWaalsContact O-N 3.16Å; S282-H284 VanDerWaalsContact C-N 3.27Å; S282-H284 PolarHBondContact O-N 2.65Å; H284-S288 WeakPolarHBondContact O-CB 3.44Å; H284-S288 PolarHBondContact O-N 2.87Å; H284-H303 AromaticContact CE1-ND1 3.74Å; H284-H303 AromaticContact CG-ND1 3.9Å; H284-H303 AromaticContact ND1-CE1 3.8Å; H284-H303 AromaticContact ND1-ND1 3.16Å; H284-H303 PolarHBondContact ND1-ND1 2.77Å; H284-H303 VanDerWaalsContact ND1-ND1 3.16Å; H284-K306 WeakPolarHBondContact CD2-CB 3.09Å; H284-K306 WeakPolarHBondContact NE2-CD 3.28Å; H284-T307 WeakPolarHBondContact CB-OG1 3.33Å
285I88.9Confident86.9Confident51 Ų5141.6 Ų41.626%0.26226%0.259SS..Hα-helixtrans-62-56170.6-66.7163.7000109.3T281 S282 L287 S288 E289 T307T281-I285 HydrophobicContact CG2-CD1 4.17Å; T281-I285 WeakPolarHBondContact O-CG1 3.24Å; T281-I285 PolarHBondContact O-N 2.91Å; S282-I285 WeakPolarHBondContact O-CB 3.16Å; S282-I285 PolarHBondContact O-N 3.21Å; S282-I285 VanDerWaalsContact O-N 3.08Å; I285-L287 VanDerWaalsContact C-N 3.31Å; I285-L287 PolarHBondContact O-N 3.08Å; I285-S288 WeakPolarHBondContact O-CA 3.47Å; I285-S288 WeakPolarHBondContact O-CB 3.49Å; I285-S288 PolarHBondContact O-N 3.27Å; I285-E289 HydrophobicContact CG2-CG 4.49Å; I285-E289 PolarHBondContact O-N 3.21Å; I285-T307 HydrophobicContact CD1-CG2 4.06Å; I285-T307 HydrophobicContact CG1-CG2 3.61Å
286S90.3Very high86.6Confident14 Ų1442.8 Ų42.810%0.09825%0.252CS..Hα-helixtrans-61-36.3-177.3-44.90000113.3Y266 S282 T290Y266-S286 VanDerWaalsContact CE1-CB 3.48Å; Y266-S286 VanDerWaalsContact CZ-CB 3.44Å; S282-S286 PolarHBondContact O-N 3.34Å; S282-S286 PolarHBondContact O-OG 3.33Å; S282-S286 VanDerWaalsContact O-OG 3.11Å; S286-T290 VanDerWaalsContact O-CB 3.32Å; S286-T290 WeakPolarHBondContact O-CB 3.47Å; S286-T290 PolarHBondContact O-N 3.01Å; S286-T290 PolarHBondContact O-OG1 3.28Å
287L92Very high86.5Confident4 Ų442.4 Ų42.42%0.02124%0.243CC..Hα-helixtrans-66.3-43.7171.4-76167.4000111.8I263 L270 A283 I285 E289 T290 Y291 H303I263-L287 HydrophobicContact CB-CD2 4.03Å; I263-L287 HydrophobicContact CG1-CD2 3.68Å; I263-L287 HydrophobicContact CG2-CD2 4.07Å; L270-L287 HydrophobicContact CD1-CD1 3.52Å; L270-L287 HydrophobicContact CG-CD1 4.27Å; A283-L287 VanDerWaalsContact O-CB 3.27Å; A283-L287 WeakPolarHBondContact O-CB 3.3Å; A283-L287 WeakPolarHBondContact O-CD1 3.4Å; A283-L287 WeakPolarHBondContact O-CG 3.39Å; A283-L287 PolarHBondContact O-N 2.74Å; I285-L287 VanDerWaalsContact C-N 3.31Å; I285-L287 PolarHBondContact O-N 3.08Å; L287-E289 VanDerWaalsContact C-N 3.33Å; L287-E289 PolarHBondContact O-N 3.44Å; L287-T290 PolarHBondContact O-N 2.9Å; L287-Y291 HydrophobicContact CB-CD2 4.31Å; L287-Y291 HydrophobicContact CB-CE2 4.4Å; L287-Y291 HydrophobicContact CD2-CE2 4.13Å; L287-Y291 WeakPolarHBondContact O-CB 3.38Å; L287-Y291 WeakPolarHBondContact O-CD2 3.47Å; L287-Y291 PolarHBondContact O-N 2.97Å; L287-H303 HydrophobicContact CB-CB 4.36Å; L287-H303 VanDerWaalsContact CD1-CE1 3.42Å; L287-H303 WeakPolarHBondContact CD1-CE1 3.46Å
288S88.9Confident86.4Confident0 Ų041.8 Ų41.80%022%0.217CC..Hα-helixtrans-60.2-43.3177.5-176.40000112.2H284 I285 S292 A300 A304H284-S288 WeakPolarHBondContact O-CB 3.44Å; H284-S288 PolarHBondContact O-N 2.87Å; I285-S288 WeakPolarHBondContact O-CA 3.47Å; I285-S288 WeakPolarHBondContact O-CB 3.49Å; I285-S288 PolarHBondContact O-N 3.27Å; S288-S292 VanDerWaalsContact O-CB 3.28Å; S288-S292 WeakPolarHBondContact O-CB 3.29Å; S288-S292 PolarHBondContact O-N 3.04Å; S288-A300 VanDerWaalsContact O-CB 3.26Å; S288-A300 WeakPolarHBondContact O-CB 3.44Å; S288-A300 PolarHBondContact OG-O 3.33Å; S288-A304 VanDerWaalsContact OG-CB 3.27Å; S288-A304 WeakPolarHBondContact OG-CB 3.45Å
289E87.9Confident86.4Confident107 Ų10741.4 Ų41.450%0.521%0.214SC..Hα-helixtrans-66.1-47.5176.9-66.6177.3150.100111.1I285 L287 Y291 S292 D293I285-E289 HydrophobicContact CG2-CG 4.49Å; I285-E289 PolarHBondContact O-N 3.21Å; L287-E289 VanDerWaalsContact C-N 3.33Å; L287-E289 PolarHBondContact O-N 3.44Å; E289-Y291 PolarHBondContact O-N 3.41Å; E289-S292 VanDerWaalsContact O-CB 3.31Å; E289-S292 WeakPolarHBondContact O-CB 3.42Å; E289-S292 PolarHBondContact O-N 3.09Å; E289-D293 WeakPolarHBondContact O-CB 3.35Å; E289-D293 PolarHBondContact O-N 2.98Å
290T85.4Confident86.5Confident5 Ų538.2 Ų38.23%0.03119%0.191CC..Hα-helixtrans-63.1-39179-52.90000112.6H259 A262 I263 Y266 S286 L287 D293 M294H259-T290 HydrophobicContact CB-CG2 3.65Å; A262-T290 HydrophobicContact CB-CG2 3.97Å; I263-T290 HydrophobicContact CD1-CG2 3.7Å; I263-T290 HydrophobicContact CG1-CG2 3.71Å; Y266-T290 WeakPolarHBondContact CE2-OG1 3.36Å; S286-T290 VanDerWaalsContact O-CB 3.32Å; S286-T290 WeakPolarHBondContact O-CB 3.47Å; S286-T290 PolarHBondContact O-N 3.01Å; S286-T290 PolarHBondContact O-OG1 3.28Å; L287-T290 PolarHBondContact O-N 2.9Å; T290-D293 PolarHBondContact O-N 3.49Å; T290-M294 PolarHBondContact O-N 3.11Å
291Y85.8Confident86.7Confident42 Ų4236.3 Ų36.317%0.16518%0.178CC..Hα-helixtrans-70.8-36.5174.4-80.6-60.9000112.6I263 L287 E289 D293 M294 E295 F296 D299 H303I263-Y291 HydrophobicContact CD1-CD1 3.63Å; I263-Y291 HydrophobicContact CD1-CD2 4.32Å; I263-Y291 HydrophobicContact CD1-CE1 3.53Å; I263-Y291 HydrophobicContact CD1-CE2 4.21Å; I263-Y291 HydrophobicContact CD1-CG 4.03Å; I263-Y291 HydrophobicContact CG1-CD2 4.48Å; I263-Y291 HydrophobicContact CG1-CE1 4.32Å; I263-Y291 HydrophobicContact CG1-CE2 4.19Å; L287-Y291 HydrophobicContact CB-CD2 4.31Å; L287-Y291 HydrophobicContact CB-CE2 4.4Å; L287-Y291 HydrophobicContact CD2-CE2 4.13Å; L287-Y291 WeakPolarHBondContact O-CB 3.38Å; L287-Y291 WeakPolarHBondContact O-CD2 3.47Å; L287-Y291 PolarHBondContact O-N 2.97Å; E289-Y291 PolarHBondContact O-N 3.41Å; Y291-D293 VanDerWaalsContact C-N 3.27Å; Y291-D293 PolarHBondContact O-N 3.38Å; Y291-M294 HydrophobicContact CD1-CE 3.86Å; Y291-M294 HydrophobicContact CE1-CE 4.2Å; Y291-M294 PolarHBondContact O-N 2.94Å; Y291-E295 PolarHBondContact O-N 3.23Å; Y291-F296 HydrophobicContact CD1-CB 4Å; Y291-F296 HydrophobicContact CD1-CD2 4.18Å; Y291-F296 HydrophobicContact CE1-CD2 4.47Å; Y291-F296 CarbonylContact O-C 3.55Å; Y291-F296 WeakPolarHBondContact O-CA 3.27Å; Y291-F296 PolarHBondContact O-N 2.84Å; Y291-D299 HydrophobicContact CD1-CB 3.53Å; Y291-D299 HydrophobicContact CD2-CB 3.93Å; Y291-D299 HydrophobicContact CE1-CB 3.71Å; Y291-D299 HydrophobicContact CE2-CB 4.12Å; Y291-D299 HydrophobicContact CG-CB 3.65Å; Y291-H303 AromaticContact CD2-CD2 3.8Å; Y291-H303 AromaticContact CE2-CD2 3.68Å; Y291-H303 AromaticContact CE2-NE2 3.76Å
292S82.3Confident86.8Confident16 Ų1636.4 Ų36.411%0.11218%0.18CC..Hα-helixtrans-56.4-44.41711690000111.3S288 E289 M294 E295 Y297S288-S292 VanDerWaalsContact O-CB 3.28Å; S288-S292 WeakPolarHBondContact O-CB 3.29Å; S288-S292 PolarHBondContact O-N 3.04Å; E289-S292 VanDerWaalsContact O-CB 3.31Å; E289-S292 WeakPolarHBondContact O-CB 3.42Å; E289-S292 PolarHBondContact O-N 3.09Å; S292-M294 VanDerWaalsContact C-N 3.33Å; S292-M294 PolarHBondContact O-N 3.14Å; S292-E295 WeakPolarHBondContact O-CA 3.47Å; S292-E295 PolarHBondContact O-N 3.1Å; S292-Y297 WeakPolarHBondContact O-CE1 3.49Å
293D79.1Confident87.1Confident80 Ų8035.3 Ų35.343%0.42817%0.17SC..Hα-helixtrans-73.7-17.5-175.7-102.738.1000115.6K257 H259 E289 T290 Y291 E295K257-D293 PolarHBondContact NZ-O 2.94Å; K257-D293 IonicContact NZ-OD2 3.4Å; K257-D293 PolarHBondContact NZ-OD2 3.4Å; H259-D293 WeakPolarHBondContact NE2-CB 3.44Å; H259-D293 IonicContact NE2-OD2 3.36Å; H259-D293 PolarHBondContact NE2-OD2 3.36Å; E289-D293 WeakPolarHBondContact O-CB 3.35Å; E289-D293 PolarHBondContact O-N 2.98Å; T290-D293 PolarHBondContact O-N 3.49Å; Y291-D293 VanDerWaalsContact C-N 3.27Å; Y291-D293 PolarHBondContact O-N 3.38Å; D293-E295 VanDerWaalsContact C-N 3.33Å
294M75.4Confident87.2Confident47 Ų4735.3 Ų35.323%0.23217%0.17CC..THydrogen-bonded Turntrans-90.91166.5-64.6-166-57.300112.8K106 H259 I263 T290 Y291 S292 F296K106-M294 PolarHBondContact NZ-O 3.18Å; H259-M294 HydrophobicContact CB-CG 3.59Å; H259-M294 HydrophobicContact CB-SD 3.51Å; H259-M294 VanDerWaalsContact CB-SD 3.51Å; I263-M294 HydrophobicContact CD1-CE 3.2Å; I263-M294 HydrophobicContact CD1-SD 4.38Å; T290-M294 PolarHBondContact O-N 3.11Å; Y291-M294 HydrophobicContact CD1-CE 3.86Å; Y291-M294 HydrophobicContact CE1-CE 4.2Å; Y291-M294 PolarHBondContact O-N 2.94Å; S292-M294 VanDerWaalsContact C-N 3.33Å; S292-M294 PolarHBondContact O-N 3.14Å; M294-F296 HydrophobicContact CB-CD2 4.22Å; M294-F296 HydrophobicContact CB-CE2 4.49Å; M294-F296 HydrophobicContact CB-CG 4.36Å; M294-F296 HydrophobicContact CE-CD2 3.59Å; M294-F296 HydrophobicContact CE-CE2 3.85Å; M294-F296 PolarHBondContact O-N 2.66Å; M294-F296 HydrophobicContact SD-CE2 4.46Å
295E76Confident87.2Confident86 Ų8635.2 Ų35.240%0.40217%0.17SC..THydrogen-bonded Turntrans63.116.8-169.9-45.7-172.8112.900115.2K58 K106 Y291 S292 D293 Y297K58-E295 IonicContact NZ-OE1 2.7Å; K106-E295 WeakPolarHBondContact CE-OE2 3.35Å; K106-E295 IonicContact NZ-OE2 3.26Å; K106-E295 PolarHBondContact NZ-OE2 3.29Å; Y291-E295 PolarHBondContact O-N 3.23Å; S292-E295 WeakPolarHBondContact O-CA 3.47Å; S292-E295 PolarHBondContact O-N 3.1Å; D293-E295 VanDerWaalsContact C-N 3.33Å; E295-Y297 HydrophobicContact CB-CD2 4.46Å; E295-Y297 HydrophobicContact CB-CE1 4.19Å; E295-Y297 HydrophobicContact CB-CE2 3.62Å; E295-Y297 VanDerWaalsContact CB-CZ 3.5Å; E295-Y297 WeakPolarHBondContact CB-OH 3.36Å; E295-Y297 HydrophobicContact CG-CE2 4.42Å; E295-Y297 VanDerWaalsContact CG-OH 3.31Å; E295-Y297 WeakPolarHBondContact CG-OH 3.5Å; E295-Y297 WeakPolarHBondContact O-CD2 3.48Å; E295-Y297 VanDerWaalsContact O-CE2 3.28Å; E295-Y297 WeakPolarHBondContact O-CE2 3.41Å; E295-Y297 PolarHBondContact O-N 2.9Å; E295-Y297 PolarHBondContact OE1-OH 3.4Å
296F81.6Confident87.4Confident95 Ų9536.7 Ų36.742%0.41717%0.174SC..  trans-8358.3170.3-63.4-17.5000109.7Y291 M294 R298 D299 A300Y291-F296 HydrophobicContact CD1-CB 4Å; Y291-F296 HydrophobicContact CD1-CD2 4.18Å; Y291-F296 HydrophobicContact CE1-CD2 4.47Å; Y291-F296 CarbonylContact O-C 3.55Å; Y291-F296 WeakPolarHBondContact O-CA 3.27Å; Y291-F296 PolarHBondContact O-N 2.84Å; M294-F296 HydrophobicContact CB-CD2 4.22Å; M294-F296 HydrophobicContact CB-CE2 4.49Å; M294-F296 HydrophobicContact CB-CG 4.36Å; M294-F296 HydrophobicContact CE-CD2 3.59Å; M294-F296 HydrophobicContact CE-CE2 3.85Å; M294-F296 PolarHBondContact O-N 2.66Å; M294-F296 HydrophobicContact SD-CE2 4.46Å; F296-R298 PolarHBondContact O-N 3.35Å; F296-R298 VanDerWaalsContact O-N 3.09Å; F296-D299 HydrophobicContact CB-CB 4.38Å; F296-D299 PolarHBondContact O-N 3.1Å; F296-A300 PolarHBondContact O-N 3.47Å
297Y86.2Confident87.5Confident28 Ų2836 Ų3611%0.1117%0.17CC..Hα-helixtrans-58.8-29.5-174.1-45-69.5000111.8K58 S292 E295 D299 A300 Y301 L328 K331 H625K58-Y297 VanDerWaalsContact NZ-CZ 3.32Å; K58-Y297 PolarHBondContact NZ-OH 2.98Å; S292-Y297 WeakPolarHBondContact O-CE1 3.49Å; E295-Y297 HydrophobicContact CB-CD2 4.46Å; E295-Y297 HydrophobicContact CB-CE1 4.19Å; E295-Y297 HydrophobicContact CB-CE2 3.62Å; E295-Y297 VanDerWaalsContact CB-CZ 3.5Å; E295-Y297 WeakPolarHBondContact CB-OH 3.36Å; E295-Y297 HydrophobicContact CG-CE2 4.42Å; E295-Y297 VanDerWaalsContact CG-OH 3.31Å; E295-Y297 WeakPolarHBondContact CG-OH 3.5Å; E295-Y297 WeakPolarHBondContact O-CD2 3.48Å; E295-Y297 VanDerWaalsContact O-CE2 3.28Å; E295-Y297 WeakPolarHBondContact O-CE2 3.41Å; E295-Y297 PolarHBondContact O-N 2.9Å; E295-Y297 PolarHBondContact OE1-OH 3.4Å; Y297-D299 VanDerWaalsContact C-N 3.34Å; Y297-A300 CarbonylContact O-C 3.47Å; Y297-A300 WeakPolarHBondContact O-CB 3.36Å; Y297-A300 PolarHBondContact O-N 2.86Å; Y297-Y301 PolarHBondContact O-N 3.37Å; Y297-L328 HydrophobicContact CD1-CD1 4.13Å; Y297-L328 HydrophobicContact CD1-CD2 3.64Å; Y297-L328 HydrophobicContact CD1-CG 4.4Å; Y297-L328 HydrophobicContact CE1-CD2 4.08Å; Y297-K331 HydrophobicContact CD1-CB 4.13Å; Y297-K331 HydrophobicContact CD1-CD 4.48Å; Y297-K331 HydrophobicContact CD2-CB 4.16Å; Y297-K331 WeakPolarHBondContact CD2-O 3.31Å; Y297-K331 HydrophobicContact CE1-CB 4.13Å; Y297-K331 HydrophobicContact CE1-CD 4.14Å; Y297-K331 HydrophobicContact CE2-CB 4.18Å; Y297-K331 HydrophobicContact CG-CB 4.12Å; Y297-H625 PolarHBondContact O-CE1 2.66Å; Y297-H625 PolarHBondContact O-ND1 3.11Å
298R86.2Confident87.6Confident61 Ų6137.8 Ų37.823%0.2318%0.176CC..Hα-helixtrans-69.2-28.8177.9-64.1-164170.8-152.5-5.2112.9F296 Y301 A332 D333 N612 S613 R624F296-R298 PolarHBondContact O-N 3.35Å; F296-R298 VanDerWaalsContact O-N 3.09Å; R298-Y301 WeakPolarHBondContact O-CA 3.36Å; R298-Y301 WeakPolarHBondContact O-CB 3.08Å; R298-Y301 PolarHBondContact O-N 3.46Å; R298-A332 HydrophobicContact CG-CB 4.08Å; R298-A332 PolarHBondContact NE-O 3.24Å; R298-A332 PolarHBondContact NH2-O 2.97Å; R298-D333 PolarHBondContact NH2-O 3.41Å; R298-N612 WeakPolarHBondContact CD-OD1 3.41Å; R298-N612 PolarHBondContact NH1-OD1 2.91Å; R298-S613 VanDerWaalsContact CB-OG 3.3Å; R298-S613 WeakPolarHBondContact CB-OG 3.42Å; R298-S613 PolarHBondContact O-OG 3.23Å; R298-R624 HydrophobicContact CG-CG 4.22Å
299D89.1Confident87.7Confident38 Ų3842.3 Ų42.320%0.20320%0.198CC..Hα-helixtrans-77.4-42172.3-62.8-82.2000111.3Y291 F296 Y297 Y301 S302 H303 S613Y291-D299 HydrophobicContact CD1-CB 3.53Å; Y291-D299 HydrophobicContact CD2-CB 3.93Å; Y291-D299 HydrophobicContact CE1-CB 3.71Å; Y291-D299 HydrophobicContact CE2-CB 4.12Å; Y291-D299 HydrophobicContact CG-CB 3.65Å; F296-D299 HydrophobicContact CB-CB 4.38Å; F296-D299 PolarHBondContact O-N 3.1Å; Y297-D299 VanDerWaalsContact C-N 3.34Å; D299-Y301 PolarHBondContact O-N 3.32Å; D299-Y301 VanDerWaalsContact O-N 3.08Å; D299-S302 PolarHBondContact O-N 3.26Å; D299-S302 PolarHBondContact O-OG 2.59Å; D299-H303 PolarHBondContact O-CD2 3Å; D299-H303 PolarHBondContact O-N 3.44Å; D299-S613 VanDerWaalsContact CG-CB 3.46Å; D299-S613 WeakPolarHBondContact OD1-CB 3.38Å
300A88.8Confident87.7Confident0 Ų039.6 Ų39.60%019%0.19CC..Hα-helixtrans-54.2-26.5164.700000111.9S288 F296 Y297 S302 H303 A304 L328S288-A300 VanDerWaalsContact O-CB 3.26Å; S288-A300 WeakPolarHBondContact O-CB 3.44Å; S288-A300 PolarHBondContact OG-O 3.33Å; F296-A300 PolarHBondContact O-N 3.47Å; Y297-A300 CarbonylContact O-C 3.47Å; Y297-A300 WeakPolarHBondContact O-CB 3.36Å; Y297-A300 PolarHBondContact O-N 2.86Å; A300-S302 PolarHBondContact O-N 3.16Å; A300-H303 PolarHBondContact O-N 3.46Å; A300-A304 PolarHBondContact O-N 2.75Å; A300-L328 HydrophobicContact CB-CD1 3.8Å
301Y92.9Very high87.9Confident7 Ų739.9 Ų39.93%0.02719%0.192CC..Hα-helixtrans-60.3-44.2174.2-145.9-115.4000112.7Y297 R298 D299 H303 M334 V338 W342 M623 R624 H625Y297-Y301 PolarHBondContact O-N 3.37Å; R298-Y301 WeakPolarHBondContact O-CA 3.36Å; R298-Y301 WeakPolarHBondContact O-CB 3.08Å; R298-Y301 PolarHBondContact O-N 3.46Å; D299-Y301 PolarHBondContact O-N 3.32Å; D299-Y301 VanDerWaalsContact O-N 3.08Å; Y301-H303 VanDerWaalsContact C-N 3.29Å; Y301-H303 PolarHBondContact O-N 3.26Å; Y301-M334 HydrophobicContact CE1-CE 4.09Å; Y301-M334 HydrophobicContact CE1-SD 4.27Å; Y301-M334 HydrophobicContact CE2-SD 3.57Å; Y301-M334 VanDerWaalsContact CE2-SD 3.57Å; Y301-M334 PolarHBondContact OH-SD 2.91Å; Y301-V338 WeakPolarHBondContact OH-CG1 3.46Å; Y301-W342 PolarHBondContact OH-NE1 3.38Å; Y301-W342 VanDerWaalsContact OH-NE1 3.1Å; Y301-M623 HydrophobicContact CD1-CB 3.12Å; Y301-M623 HydrophobicContact CD1-CG 3.8Å; Y301-M623 HydrophobicContact CD1-SD 4.31Å; Y301-M623 HydrophobicContact CE1-CB 3.15Å; Y301-M623 HydrophobicContact CE1-CG 4.25Å; Y301-M623 WeakPolarHBondContact CE1-O 3.4Å; Y301-M623 HydrophobicContact CE1-SD 4.48Å; Y301-R624 VanDerWaalsContact CB-CA 3.45Å; Y301-R624 VanDerWaalsContact CB-CG 3.49Å; Y301-R624 HydrophobicContact CD1-CB 2.29Å; Y301-R624 HydrophobicContact CD1-CG 2.83Å; Y301-R624 HydrophobicContact CD2-CB 2.29Å; Y301-R624 HydrophobicContact CD2-CG 3.13Å; Y301-R624 HydrophobicContact CE1-CB 2.29Å; Y301-R624 HydrophobicContact CE1-CG 3.49Å; Y301-R624 VanDerWaalsContact CE1-CG 3.49Å; Y301-R624 HydrophobicContact CE2-CB 2.3Å; Y301-R624 HydrophobicContact CE2-CG 3.74Å; Y301-R624 WeakPolarHBondContact CE2-O 3.24Å; Y301-R624 HydrophobicContact CG-CB 2.31Å; Y301-R624 HydrophobicContact CG-CG 2.65Å; Y301-R624 VanDerWaalsContact CZ-N 3.32Å; Y301-R624 CarbonylContact O-C 3.54Å; Y301-R624 VanDerWaalsContact O-CA 3.29Å; Y301-R624 WeakPolarHBondContact O-CA 2.98Å; Y301-R624 PolarHBondContact O-N 2.76Å; Y301-R624 WeakPolarHBondContact OH-CA 3.47Å; Y301-R624 PolarHBondContact OH-O 3.23Å; Y301-H625 VanDerWaalsContact CD2-CA 3.49Å; Y301-H625 HydrophobicContact CD2-CB 3.37Å; Y301-H625 AromaticContact CD2-CD2 2.85Å; Y301-H625 WeakPolarHBondContact CD2-CD2 3.39Å; Y301-H625 AromaticContact CD2-CE1 3.22Å; Y301-H625 WeakPolarHBondContact CD2-CE1 3.47Å; Y301-H625 AromaticContact CD2-CG 2.92Å; Y301-H625 AromaticContact CD2-ND1 3.17Å; Y301-H625 WeakPolarHBondContact CD2-ND1 3.06Å; Y301-H625 AromaticContact CD2-NE2 3.03Å; Y301-H625 WeakPolarHBondContact CD2-NE2 3.28Å; Y301-H625 HydrophobicContact CE2-CB 3.38Å; Y301-H625 AromaticContact CE2-CD2 2.88Å; Y301-H625 WeakPolarHBondContact CE2-CD2 3.45Å; Y301-H625 AromaticContact CE2-CG 3.31Å; Y301-H625 AromaticContact CE2-NE2 3.55Å; Y301-H625 PolarHBondContact O-N 3.14Å
302S93.8Very high87.9Confident22 Ų2245.6 Ų45.615%0.15421%0.213CC..Hα-helixtrans-74.3-24.5-177.980.60000112.2D299 A300 K306D299-S302 PolarHBondContact O-N 3.26Å; D299-S302 PolarHBondContact O-OG 2.59Å; A300-S302 PolarHBondContact O-N 3.16Å; S302-K306 WeakPolarHBondContact O-CD 3.25Å; S302-K306 WeakPolarHBondContact O-CE 3.41Å; S302-K306 VanDerWaalsContact O-CG 3.27Å; S302-K306 WeakPolarHBondContact O-CG 3.43Å; S302-K306 PolarHBondContact O-NZ 3.39Å
303H93.5Very high88.1Confident19 Ų1954 Ų549%0.08825%0.25CS..Hα-helixtrans-87.4-54.6-173.5-80.9-68000113.1H284 L287 Y291 D299 A300 Y301 L305 K306 T307H284-H303 AromaticContact CE1-ND1 3.74Å; H284-H303 AromaticContact CG-ND1 3.9Å; H284-H303 AromaticContact ND1-CE1 3.8Å; H284-H303 AromaticContact ND1-ND1 3.16Å; H284-H303 PolarHBondContact ND1-ND1 2.77Å; H284-H303 VanDerWaalsContact ND1-ND1 3.16Å; L287-H303 HydrophobicContact CB-CB 4.36Å; L287-H303 VanDerWaalsContact CD1-CE1 3.42Å; L287-H303 WeakPolarHBondContact CD1-CE1 3.46Å; Y291-H303 AromaticContact CD2-CD2 3.8Å; Y291-H303 AromaticContact CE2-CD2 3.68Å; Y291-H303 AromaticContact CE2-NE2 3.76Å; D299-H303 PolarHBondContact O-CD2 3Å; D299-H303 PolarHBondContact O-N 3.44Å; A300-H303 PolarHBondContact O-N 3.46Å; Y301-H303 VanDerWaalsContact C-N 3.29Å; Y301-H303 PolarHBondContact O-N 3.26Å; H303-L305 VanDerWaalsContact C-N 3.28Å; H303-L305 PolarHBondContact O-N 3.31Å; H303-K306 WeakPolarHBondContact O-CB 3.35Å; H303-K306 PolarHBondContact O-N 3.17Å; H303-T307 PolarHBondContact O-N 3.42Å; H303-T307 VanDerWaalsContact O-N 3.16Å; H303-T307 PolarHBondContact O-OG1 2.93Å
304A93.1Very high88.5Confident0 Ų053.1 Ų53.10%025%0.245CC..Hα-helixtrans-73.9-13.8-177.800000114.5S288 A300 T307 Y308 T321 M324 H625S288-A304 VanDerWaalsContact OG-CB 3.27Å; S288-A304 WeakPolarHBondContact OG-CB 3.45Å; A300-A304 PolarHBondContact O-N 2.75Å; A304-T307 WeakPolarHBondContact O-CB 3.48Å; A304-Y308 PolarHBondContact O-N 3.42Å; A304-T321 VanDerWaalsContact O-CG2 3.31Å; A304-T321 WeakPolarHBondContact O-CG2 3.27Å; A304-M324 HydrophobicContact CB-CE 3.95Å; A304-M324 HydrophobicContact CB-CG 4.05Å; A304-M324 HydrophobicContact CB-SD 4.19Å; A304-H625 CarbonylContact C-O 3.59Å; A304-H625 WeakPolarHBondContact CB-O 3.48Å
305L94.3Very high89.2Confident17 Ų1753.2 Ų53.29%0.08925%0.25CC..Hα-helixtrans-67.3-42.8162.1-170.180000111.7H303 T307 Y308 E309 L325 W342 D622H303-L305 VanDerWaalsContact C-N 3.28Å; H303-L305 PolarHBondContact O-N 3.31Å; L305-T307 PolarHBondContact O-N 3.4Å; L305-Y308 HydrophobicContact CD1-CD1 4.43Å; L305-Y308 CarbonylContact O-C 3.52Å; L305-Y308 WeakPolarHBondContact O-CB 3.1Å; L305-Y308 PolarHBondContact O-N 3.09Å; L305-E309 HydrophobicContact CG-CG 4.47Å; L305-E309 WeakPolarHBondContact O-CG 3.36Å; L305-E309 PolarHBondContact O-N 3.03Å; L305-L325 HydrophobicContact CB-CD2 4.15Å; L305-L325 HydrophobicContact CD1-CD2 3.61Å; L305-L325 HydrophobicContact CG-CD2 4.49Å; L305-W342 HydrophobicContact CD1-CH2 3.51Å; L305-W342 HydrophobicContact CD1-CZ2 3.72Å; L305-D622 VanDerWaalsContact CD2-C 3.42Å; L305-D622 HydrophobicContact CD2-CB 4.43Å; L305-D622 WeakPolarHBondContact CD2-O 3.47Å
306K93.5Very high89.8Confident82 Ų8252.6 Ų52.636%0.35725%0.247SC..Hα-helixtrans-63.1-33.5177.6-63.6163.8-168.7156.60111.2H284 S302 H303 E309 S310H284-K306 WeakPolarHBondContact CD2-CB 3.09Å; H284-K306 WeakPolarHBondContact NE2-CD 3.28Å; S302-K306 WeakPolarHBondContact O-CD 3.25Å; S302-K306 WeakPolarHBondContact O-CE 3.41Å; S302-K306 VanDerWaalsContact O-CG 3.27Å; S302-K306 WeakPolarHBondContact O-CG 3.43Å; S302-K306 PolarHBondContact O-NZ 3.39Å; H303-K306 WeakPolarHBondContact O-CB 3.35Å; H303-K306 PolarHBondContact O-N 3.17Å; K306-E309 PolarHBondContact O-N 3.39Å; K306-S310 PolarHBondContact O-N 3.35Å; K306-S310 VanDerWaalsContact O-N 3.07Å; K306-S310 PolarHBondContact O-OG 3.35Å
307T92.5Very high90.1Very high0 Ų052.9 Ų52.90%025%0.249CC..Hα-helixtrans-59.6-53.6167.1-60.30000111.6T281 H284 I285 H303 A304 L305 E309 S310 E311 T321T281-T307 HydrophobicContact CG2-CG2 3.91Å; H284-T307 WeakPolarHBondContact CB-OG1 3.33Å; I285-T307 HydrophobicContact CD1-CG2 4.06Å; I285-T307 HydrophobicContact CG1-CG2 3.61Å; H303-T307 PolarHBondContact O-N 3.42Å; H303-T307 VanDerWaalsContact O-N 3.16Å; H303-T307 PolarHBondContact O-OG1 2.93Å; A304-T307 WeakPolarHBondContact O-CB 3.48Å; L305-T307 PolarHBondContact O-N 3.4Å; T307-E309 PolarHBondContact O-N 3.45Å; T307-E309 VanDerWaalsContact O-N 3.17Å; T307-S310 PolarHBondContact O-N 3.26Å; T307-S310 VanDerWaalsContact O-N 3.08Å; T307-S310 PolarHBondContact O-OG 2.91Å; T307-E311 VanDerWaalsContact CG2-CD 3.45Å; T307-E311 HydrophobicContact CG2-CG 4.33Å; T307-E311 WeakPolarHBondContact CG2-OE1 3.45Å; T307-E311 WeakPolarHBondContact O-CB 3.41Å; T307-E311 VanDerWaalsContact O-CG 3.29Å; T307-E311 WeakPolarHBondContact O-CG 3.39Å; T307-E311 PolarHBondContact O-N 3.02Å; T307-T321 HydrophobicContact CG2-CG2 3.84Å
308Y93.1Very high90.4Very high41 Ų4152.3 Ų52.316%0.16125%0.248CC..Hα-helixtrans-58.5-31.4176.7179.3-96.8000113.1A304 L305 Q318 A322 L325 W342 L349A304-Y308 PolarHBondContact O-N 3.42Å; L305-Y308 HydrophobicContact CD1-CD1 4.43Å; L305-Y308 CarbonylContact O-C 3.52Å; L305-Y308 WeakPolarHBondContact O-CB 3.1Å; L305-Y308 PolarHBondContact O-N 3.09Å; Y308-Q318 HydrophobicContact CD2-CG 3.37Å; Y308-Q318 HydrophobicContact CE2-CG 3.28Å; Y308-Q318 HydrophobicContact CG-CG 4.21Å; Y308-Q318 PolarHBondContact O-NE2 3.24Å; Y308-A322 HydrophobicContact CD2-CB 4.34Å; Y308-A322 HydrophobicContact CE2-CB 3.96Å; Y308-L325 HydrophobicContact CD1-CD1 4.09Å; Y308-L325 HydrophobicContact CD2-CD1 3.3Å; Y308-L325 HydrophobicContact CE2-CD1 3.84Å; Y308-L325 HydrophobicContact CG-CD1 3.43Å; Y308-L325 VanDerWaalsContact CG-CD1 3.43Å; Y308-W342 HydrophobicContact CD1-CZ3 4.28Å; Y308-W342 HydrophobicContact CE1-CH2 4.41Å; Y308-W342 AromaticContact CE1-CZ3 3.89Å; Y308-W342 HydrophobicContact CE1-CZ3 3.89Å; Y308-L349 HydrophobicContact CE2-CD1 4.19Å
309E90.9Very high90.7Very high95 Ų9549.4 Ų49.444%0.44424%0.237SC..Hα-helixtrans-76.4-30.2176.5-69.1-151.5109.400114.4L305 K306 T307 R312L305-E309 HydrophobicContact CG-CG 4.47Å; L305-E309 WeakPolarHBondContact O-CG 3.36Å; L305-E309 PolarHBondContact O-N 3.03Å; K306-E309 PolarHBondContact O-N 3.39Å; T307-E309 PolarHBondContact O-N 3.45Å; T307-E309 VanDerWaalsContact O-N 3.17Å; E309-R312 VanDerWaalsContact O-CD 3.25Å; E309-R312 WeakPolarHBondContact O-CD 3.25Å; E309-R312 VanDerWaalsContact O-CG 3.29Å; E309-R312 WeakPolarHBondContact O-CG 3.33Å; E309-R312 PolarHBondContact O-NE 3.06Å; E309-R312 VanDerWaalsContact O-NE 3.14Å; E309-R312 IonicContact OE1-NH2 3.7Å; E309-R312 PolarHBondContact OE1-NH2 3.5Å
310S88.4Confident90.7Very high50 Ų5050 Ų5035%0.3524%0.244SC..Hα-helixtrans-82.8-29.6174.6570000112.9T281 K306 T307 R312T281-S310 WeakPolarHBondContact CG2-OG 3.41Å; T281-S310 WeakPolarHBondContact OG1-CB 3.32Å; T281-S310 PolarHBondContact OG1-OG 2.92Å; K306-S310 PolarHBondContact O-N 3.35Å; K306-S310 VanDerWaalsContact O-N 3.07Å; K306-S310 PolarHBondContact O-OG 3.35Å; T307-S310 PolarHBondContact O-N 3.26Å; T307-S310 VanDerWaalsContact O-N 3.08Å; T307-S310 PolarHBondContact O-OG 2.91Å; S310-R312 PolarHBondContact O-N 2.94Å; S310-R312 VanDerWaalsContact O-N 3.09Å
311E89.1Confident90.8Very high12 Ų1250.1 Ų50.16%0.05625%0.245CC..G310 helixtrans-74.810.7-179.6-70.8170.9169.700114.8T281 T307 E313 N314 E317 Q318 T321T281-E311 HydrophobicContact CG2-CG 4.19Å; T307-E311 VanDerWaalsContact CG2-CD 3.45Å; T307-E311 HydrophobicContact CG2-CG 4.33Å; T307-E311 WeakPolarHBondContact CG2-OE1 3.45Å; T307-E311 WeakPolarHBondContact O-CB 3.41Å; T307-E311 VanDerWaalsContact O-CG 3.29Å; T307-E311 WeakPolarHBondContact O-CG 3.39Å; T307-E311 PolarHBondContact O-N 3.02Å; E311-E313 PolarHBondContact O-N 3.31Å; E311-N314 CarbonylContact O-C 3.59Å; E311-N314 PolarHBondContact O-N 3.31Å; E311-N314 VanDerWaalsContact O-O 3.14Å; E311-E317 HydrophobicContact CB-CB 4.48Å; E311-E317 HydrophobicContact CG-CB 4.11Å; E311-Q318 HydrophobicContact CB-CB 4.07Å; E311-T321 PolarHBondContact OE1-OG1 2.98Å; E311-T321 WeakPolarHBondContact OE2-CB 3.37Å; E311-T321 PolarHBondContact OE2-OG1 2.97Å
312R86.7Confident90.9Very high162 Ų16249.8 Ų49.861%0.61124%0.243SC*.G310 helixtrans-58.1-18.5-178.7-69173.5-171.2-156.94.9114.8E309 S310E309-R312 VanDerWaalsContact O-CD 3.25Å; E309-R312 WeakPolarHBondContact O-CD 3.25Å; E309-R312 VanDerWaalsContact O-CG 3.29Å; E309-R312 WeakPolarHBondContact O-CG 3.33Å; E309-R312 PolarHBondContact O-NE 3.06Å; E309-R312 VanDerWaalsContact O-NE 3.14Å; E309-R312 IonicContact OE1-NH2 3.7Å; E309-R312 PolarHBondContact OE1-NH2 3.5Å; S310-R312 PolarHBondContact O-N 2.94Å; S310-R312 VanDerWaalsContact O-N 3.09Å
313E85.2Confident90.8Very high192 Ų19249.1 Ų49.190%0.89724%0.238SC*.G310 helixtrans-94.4-13.9175.8-60.8-170.6168.300113.4E311E311-E313 PolarHBondContact O-N 3.31Å
314N89Confident90.7Very high61 Ų6148.9 Ų48.933%0.32624%0.237SC..  trans-120.790.1175.5-169.9-8.5000111.2E311 E316 E317 Q318E311-N314 CarbonylContact O-C 3.59Å; E311-N314 PolarHBondContact O-N 3.31Å; E311-N314 VanDerWaalsContact O-O 3.14Å; N314-E316 PolarHBondContact O-N 3.18Å; N314-E316 PolarHBondContact OD1-N 3.04Å; N314-E317 HydrophobicContact CB-CB 4.27Å; N314-E317 WeakPolarHBondContact CB-OE2 3.35Å; N314-E317 WeakPolarHBondContact ND2-CG 3.39Å; N314-E317 PolarHBondContact ND2-OE1 3.42Å; N314-E317 PolarHBondContact ND2-OE2 3.44Å; N314-E317 PolarHBondContact O-N 3.46Å; N314-Q318 WeakPolarHBondContact O-CB 3.46Å; N314-Q318 PolarHBondContact O-N 2.92Å
315P89.2Confident90.8Very high50 Ų5048.9 Ų48.933%0.32524%0.237SC..Hα-helixtrans-71.8-12.5-171.731.3-37.1000113.9I319 I353P315-I319 VanDerWaalsContact O-CD1 3.24Å; P315-I319 WeakPolarHBondContact O-CD1 3.41Å; P315-I319 WeakPolarHBondContact O-CG1 3.39Å; P315-I319 PolarHBondContact O-N 3.48Å; P315-I319 VanDerWaalsContact O-N 3.13Å; P315-I353 HydrophobicContact CB-CD1 3.76Å; P315-I353 HydrophobicContact CB-CG1 4.21Å; P315-I353 HydrophobicContact CG-CD1 3.83Å; P315-I353 HydrophobicContact CG-CG1 4.14Å
316E89.4Confident90.6Very high72 Ų7248.1 Ų48.134%0.33623%0.233SC..Hα-helixtrans-78.8-43.7173.2-64-164.1-173.700111.8N314 Q318 I319 S320 I353 R355 L358N314-E316 PolarHBondContact O-N 3.18Å; N314-E316 PolarHBondContact OD1-N 3.04Å; E316-Q318 VanDerWaalsContact C-N 3.34Å; E316-I319 PolarHBondContact O-N 3.2Å; E316-S320 PolarHBondContact O-N 3.26Å; E316-S320 VanDerWaalsContact O-N 3.12Å; E316-I353 HydrophobicContact CG-CD1 3.71Å; E316-R355 IonicContact OE1-CZ 3.76Å; E316-R355 IonicContact OE1-NH1 2.72Å; E316-R355 PolarHBondContact OE1-NH1 3.46Å; E316-R355 IonicContact OE2-CZ 3.62Å; E316-R355 IonicContact OE2-NH1 3.48Å; E316-R355 PolarHBondContact OE2-NH1 3.24Å; E316-R355 IonicContact OE2-NH2 2.71Å; E316-L358 HydrophobicContact CB-CD1 4.28Å; E316-L358 HydrophobicContact CG-CD1 3.94Å
317E88.1Confident90.4Very high101 Ų10144.4 Ų44.447%0.47222%0.217SC..Hα-helixtrans-60.1-46.8168.6-75.8169.4175.200109.9E311 N314 I319 S320 T321E311-E317 HydrophobicContact CB-CB 4.48Å; E311-E317 HydrophobicContact CG-CB 4.11Å; N314-E317 HydrophobicContact CB-CB 4.27Å; N314-E317 WeakPolarHBondContact CB-OE2 3.35Å; N314-E317 WeakPolarHBondContact ND2-CG 3.39Å; N314-E317 PolarHBondContact ND2-OE1 3.42Å; N314-E317 PolarHBondContact ND2-OE2 3.44Å; N314-E317 PolarHBondContact O-N 3.46Å; E317-I319 VanDerWaalsContact C-N 3.26Å; E317-I319 PolarHBondContact O-N 3.29Å; E317-S320 CarbonylContact O-C 3.58Å; E317-S320 WeakPolarHBondContact O-CA 3.43Å; E317-S320 VanDerWaalsContact O-CB 3.3Å; E317-S320 WeakPolarHBondContact O-CB 3.46Å; E317-S320 PolarHBondContact O-N 2.97Å; E317-T321 PolarHBondContact O-N 3.22Å; E317-T321 PolarHBondContact O-OG1 3.28Å
318Q92.3Very high90.2Very high16 Ų1644.4 Ų44.48%0.07522%0.217CC..Hα-helixtrans-60.8-28.9178.5-163.8174.160.100113.8Y308 E311 N314 E316 A322 L349Y308-Q318 HydrophobicContact CD2-CG 3.37Å; Y308-Q318 HydrophobicContact CE2-CG 3.28Å; Y308-Q318 HydrophobicContact CG-CG 4.21Å; Y308-Q318 PolarHBondContact O-NE2 3.24Å; E311-Q318 HydrophobicContact CB-CB 4.07Å; N314-Q318 WeakPolarHBondContact O-CB 3.46Å; N314-Q318 PolarHBondContact O-N 2.92Å; E316-Q318 VanDerWaalsContact C-N 3.34Å; Q318-A322 WeakPolarHBondContact O-CB 3.4Å; Q318-A322 PolarHBondContact O-N 3.07Å; Q318-L349 HydrophobicContact CB-CD1 4.32Å; Q318-L349 HydrophobicContact CG-CD1 3.87Å
319I91.6Very high90Very high1 Ų142.5 Ų42.51%0.00521%0.21CC..Hα-helixtrans-72-44.3170.4-72.5157.7000111.3P315 E316 E317 T321 A322 L323 L349 A350 I353 L358 V362P315-I319 VanDerWaalsContact O-CD1 3.24Å; P315-I319 WeakPolarHBondContact O-CD1 3.41Å; P315-I319 WeakPolarHBondContact O-CG1 3.39Å; P315-I319 PolarHBondContact O-N 3.48Å; P315-I319 VanDerWaalsContact O-N 3.13Å; E316-I319 PolarHBondContact O-N 3.2Å; E317-I319 VanDerWaalsContact C-N 3.26Å; E317-I319 PolarHBondContact O-N 3.29Å; I319-T321 VanDerWaalsContact C-N 3.33Å; I319-A322 PolarHBondContact O-N 3.43Å; I319-A322 VanDerWaalsContact O-N 3.1Å; I319-L323 PolarHBondContact O-N 2.96Å; I319-L349 HydrophobicContact CD1-CB 3.94Å; I319-L349 HydrophobicContact CG1-CB 3.46Å; I319-L349 VanDerWaalsContact CG1-CB 3.46Å; I319-L349 HydrophobicContact CG1-CD1 4.29Å; I319-A350 HydrophobicContact CD1-CB 3.86Å; I319-I353 HydrophobicContact CD1-CD1 3.45Å; I319-I353 VanDerWaalsContact CD1-CD1 3.45Å; I319-I353 HydrophobicContact CD1-CG1 4.4Å; I319-L358 HydrophobicContact CD1-CD1 3.93Å; I319-V362 HydrophobicContact CG2-CG2 4.16Å
320S90Very high89.8Confident49 Ų4939 Ų3934%0.34319%0.193SC..Hα-helixtrans-56.4-52.3175.6-170.10000109.4E316 E317 A322 L323 M324E316-S320 PolarHBondContact O-N 3.26Å; E316-S320 VanDerWaalsContact O-N 3.12Å; E317-S320 CarbonylContact O-C 3.58Å; E317-S320 WeakPolarHBondContact O-CA 3.43Å; E317-S320 VanDerWaalsContact O-CB 3.3Å; E317-S320 WeakPolarHBondContact O-CB 3.46Å; E317-S320 PolarHBondContact O-N 2.97Å; S320-A322 VanDerWaalsContact C-N 3.28Å; S320-A322 PolarHBondContact O-N 3.22Å; S320-L323 PolarHBondContact O-N 3.32Å; S320-M324 WeakPolarHBondContact O-CB 3.48Å; S320-M324 PolarHBondContact O-N 3.38Å
321T90.9Very high89.5Confident4 Ų439.8 Ų39.83%0.02519%0.191CC..Hα-helixtrans-61.2-32.4175.1-540000112.2A304 T307 E311 E317 I319 M324 L325A304-T321 VanDerWaalsContact O-CG2 3.31Å; A304-T321 WeakPolarHBondContact O-CG2 3.27Å; T307-T321 HydrophobicContact CG2-CG2 3.84Å; E311-T321 PolarHBondContact OE1-OG1 2.98Å; E311-T321 WeakPolarHBondContact OE2-CB 3.37Å; E311-T321 PolarHBondContact OE2-OG1 2.97Å; E317-T321 PolarHBondContact O-N 3.22Å; E317-T321 PolarHBondContact O-OG1 3.28Å; I319-T321 VanDerWaalsContact C-N 3.33Å; T321-M324 HydrophobicContact CG2-CG 4.09Å; T321-M324 HydrophobicContact CG2-SD 4Å; T321-M324 CarbonylContact O-C 3.53Å; T321-M324 VanDerWaalsContact O-CA 3.26Å; T321-M324 WeakPolarHBondContact O-CA 3.14Å; T321-M324 VanDerWaalsContact O-CB 3.23Å; T321-M324 WeakPolarHBondContact O-CB 3.26Å; T321-M324 WeakPolarHBondContact O-CG 3.23Å; T321-M324 PolarHBondContact O-N 3.32Å; T321-M324 VanDerWaalsContact O-N 3.13Å; T321-L325 VanDerWaalsContact O-CG 3.23Å; T321-L325 WeakPolarHBondContact O-CG 3.36Å; T321-L325 PolarHBondContact O-N 3.45Å
322A94.2Very high89.2Confident0 Ų039.8 Ų39.80%019%0.192CC..Hα-helixtrans-70.3-37.8174.700000115.1Y308 Q318 I319 S320 M324 L325 A326 A346Y308-A322 HydrophobicContact CD2-CB 4.34Å; Y308-A322 HydrophobicContact CE2-CB 3.96Å; Q318-A322 WeakPolarHBondContact O-CB 3.4Å; Q318-A322 PolarHBondContact O-N 3.07Å; I319-A322 PolarHBondContact O-N 3.43Å; I319-A322 VanDerWaalsContact O-N 3.1Å; S320-A322 VanDerWaalsContact C-N 3.28Å; S320-A322 PolarHBondContact O-N 3.22Å; A322-M324 PolarHBondContact O-N 3.27Å; A322-L325 HydrophobicContact CB-CD1 4.21Å; A322-L325 PolarHBondContact O-N 3.37Å; A322-A326 PolarHBondContact O-N 3.35Å; A322-A326 VanDerWaalsContact O-N 3.15Å; A322-A346 HydrophobicContact CB-CB 3.74Å
323L92.3Very high88.9Confident8 Ų837.6 Ų37.64%0.04219%0.193CC..Hα-helixtrans-64.1-34166.3-65.9176.9000110.7I319 S320 A326 D327 Y343 A346 T361 V362I319-L323 PolarHBondContact O-N 2.96Å; S320-L323 PolarHBondContact O-N 3.32Å; L323-A326 WeakPolarHBondContact O-CA 3.29Å; L323-A326 WeakPolarHBondContact O-CB 3.39Å; L323-A326 PolarHBondContact O-N 2.85Å; L323-A326 VanDerWaalsContact O-N 3.09Å; L323-D327 PolarHBondContact O-N 2.98Å; L323-Y343 HydrophobicContact CD2-CD1 3.71Å; L323-Y343 HydrophobicContact CD2-CE1 3.74Å; L323-A346 HydrophobicContact CD2-CB 4.14Å; L323-A346 HydrophobicContact CG-CB 4.4Å; L323-T361 HydrophobicContact CD1-CG2 3.77Å; L323-V362 HydrophobicContact CD1-CG2 4.22Å; L323-V362 HydrophobicContact CD2-CB 4.18Å; L323-V362 HydrophobicContact CD2-CG1 4.13Å; L323-V362 HydrophobicContact CD2-CG2 4Å; L323-V362 HydrophobicContact CG-CG2 4.33Å
324M90.8Very high88.9Confident14 Ų1429.3 Ų29.37%0.06915%0.154CC..Hα-helixtrans-62.3-47.5172.9136.6179.5-118.600111.4A304 S320 T321 A322 A326 H625 G626 S627A304-M324 HydrophobicContact CB-CE 3.95Å; A304-M324 HydrophobicContact CB-CG 4.05Å; A304-M324 HydrophobicContact CB-SD 4.19Å; S320-M324 WeakPolarHBondContact O-CB 3.48Å; S320-M324 PolarHBondContact O-N 3.38Å; T321-M324 HydrophobicContact CG2-CG 4.09Å; T321-M324 HydrophobicContact CG2-SD 4Å; T321-M324 CarbonylContact O-C 3.53Å; T321-M324 VanDerWaalsContact O-CA 3.26Å; T321-M324 WeakPolarHBondContact O-CA 3.14Å; T321-M324 VanDerWaalsContact O-CB 3.23Å; T321-M324 WeakPolarHBondContact O-CB 3.26Å; T321-M324 WeakPolarHBondContact O-CG 3.23Å; T321-M324 PolarHBondContact O-N 3.32Å; T321-M324 VanDerWaalsContact O-N 3.13Å; A322-M324 PolarHBondContact O-N 3.27Å; M324-A326 PolarHBondContact O-N 2.95Å; M324-A326 VanDerWaalsContact O-N 3.14Å; M324-H625 CarbonylContact O-C 3.38Å; M324-G626 VanDerWaalsContact C-CA 3.49Å; M324-G626 VanDerWaalsContact CE-O 3.28Å; M324-G626 WeakPolarHBondContact CE-O 3.34Å; M324-G626 CarbonylContact O-C 3.59Å; M324-G626 VanDerWaalsContact O-C 3.27Å; M324-G626 WeakPolarHBondContact O-CA 3.09Å; M324-G626 PolarHBondContact O-N 3.01Å; M324-S627 VanDerWaalsContact CA-C 3.5Å; M324-S627 WeakPolarHBondContact CA-O 3.18Å; M324-S627 VanDerWaalsContact CB-N 3.27Å; M324-S627 PolarHBondContact O-N 3.04Å
325L95.1Very high88.6Confident0 Ų029.2 Ų29.20%016%0.162CC..Hα-helixtrans-55.7-28.2170.9-59.5148.5000112.3L305 Y308 T321 A322 W342 R624 H625L305-L325 HydrophobicContact CB-CD2 4.15Å; L305-L325 HydrophobicContact CD1-CD2 3.61Å; L305-L325 HydrophobicContact CG-CD2 4.49Å; Y308-L325 HydrophobicContact CD1-CD1 4.09Å; Y308-L325 HydrophobicContact CD2-CD1 3.3Å; Y308-L325 HydrophobicContact CE2-CD1 3.84Å; Y308-L325 HydrophobicContact CG-CD1 3.43Å; Y308-L325 VanDerWaalsContact CG-CD1 3.43Å; T321-L325 VanDerWaalsContact O-CG 3.23Å; T321-L325 WeakPolarHBondContact O-CG 3.36Å; T321-L325 PolarHBondContact O-N 3.45Å; A322-L325 HydrophobicContact CB-CD1 4.21Å; A322-L325 PolarHBondContact O-N 3.37Å; L325-W342 HydrophobicContact CB-CB 3.97Å; L325-W342 HydrophobicContact CB-CD2 3.41Å; L325-W342 VanDerWaalsContact CB-CD2 3.41Å; L325-W342 HydrophobicContact CB-CE3 3.93Å; L325-W342 HydrophobicContact CB-CG 3.41Å; L325-W342 VanDerWaalsContact CB-CG 3.41Å; L325-W342 HydrophobicContact CB-CZ2 4.37Å; L325-W342 HydrophobicContact CD1-CD2 3.89Å; L325-W342 HydrophobicContact CD1-CE3 3.46Å; L325-W342 VanDerWaalsContact CD1-CE3 3.46Å; L325-W342 HydrophobicContact CD1-CH2 3.96Å; L325-W342 HydrophobicContact CD1-CZ2 4.32Å; L325-W342 HydrophobicContact CD1-CZ3 3.5Å; L325-W342 HydrophobicContact CD2-CD2 4.44Å; L325-W342 HydrophobicContact CD2-CH2 4.1Å; L325-W342 HydrophobicContact CD2-CZ2 3.88Å; L325-W342 HydrophobicContact CD2-CZ3 4.45Å; L325-W342 HydrophobicContact CG-CD2 4.08Å; L325-W342 HydrophobicContact CG-CE3 4.18Å; L325-W342 HydrophobicContact CG-CZ2 4.41Å; L325-W342 HydrophobicContact CG-CZ3 4.4Å; L325-R624 WeakPolarHBondContact CD2-O 3.22Å; L325-H625 WeakPolarHBondContact CA-O 3.37Å; L325-H625 WeakPolarHBondContact CD2-O 3.44Å; L325-H625 VanDerWaalsContact CG-O 3.23Å; L325-H625 WeakPolarHBondContact CG-O 3.4Å; L325-H625 PolarHBondContact N-O 3.05Å; L325-H625 VanDerWaalsContact O-CB 3.26Å; L325-H625 WeakPolarHBondContact O-CB 3.29Å
326A90.9Very high88.3Confident0 Ų028.2 Ų28.20%015%0.154CC..Hα-helixtrans-80.5-56.8177.200000114.7A322 L323 M324 L328 S329 W342 Y343A322-A326 PolarHBondContact O-N 3.35Å; A322-A326 VanDerWaalsContact O-N 3.15Å; L323-A326 WeakPolarHBondContact O-CA 3.29Å; L323-A326 WeakPolarHBondContact O-CB 3.39Å; L323-A326 PolarHBondContact O-N 2.85Å; L323-A326 VanDerWaalsContact O-N 3.09Å; M324-A326 PolarHBondContact O-N 2.95Å; M324-A326 VanDerWaalsContact O-N 3.14Å; A326-L328 PolarHBondContact O-N 3.19Å; A326-S329 WeakPolarHBondContact O-CB 3.37Å; A326-S329 PolarHBondContact O-N 3.37Å; A326-S329 PolarHBondContact O-OG 3.18Å; A326-W342 HydrophobicContact CB-CB 3.93Å; A326-Y343 HydrophobicContact CB-CD1 4.01Å; A326-Y343 HydrophobicContact CB-CD2 3.87Å; A326-Y343 HydrophobicContact CB-CE1 3.77Å; A326-Y343 HydrophobicContact CB-CE2 3.63Å; A326-Y343 HydrophobicContact CB-CG 4.05Å
327D87.7Confident88.1Confident5 Ų529.4 Ų29.43%0.02716%0.162CC..Hα-helixtrans-61.5-47.4-167.4171.781.6000114.1R56 L323 S329 E330 K331 S627 I628R56-D327 IonicContact CZ-OD1 2.91Å; R56-D327 VanDerWaalsContact CZ-OD1 3.24Å; R56-D327 IonicContact NH1-OD1 3.31Å; R56-D327 PolarHBondContact NH1-OD1 2.84Å; R56-D327 IonicContact NH2-OD1 2.7Å; R56-D327 PolarHBondContact NH2-OD1 3.16Å; L323-D327 PolarHBondContact O-N 2.98Å; D327-S329 PolarHBondContact O-N 3.15Å; D327-E330 PolarHBondContact O-N 2.91Å; D327-K331 WeakPolarHBondContact OD2-CE 3.23Å; D327-K331 IonicContact OD2-NZ 2.84Å; D327-K331 PolarHBondContact OD2-NZ 3.35Å; D327-S627 WeakPolarHBondContact CB-O 3.42Å; D327-I628 HydrophobicContact CB-CD1 3.65Å; D327-I628 HydrophobicContact CB-CG1 4.32Å
328L88.9Confident88.2Confident0 Ų026.5 Ų26.50%015%0.152CC..Hα-helixtrans-68.6-15.4178.8-68.6-166.9000111.9Y297 A300 A326 E330 K331 A332 H625 G626 S627Y297-L328 HydrophobicContact CD1-CD1 4.13Å; Y297-L328 HydrophobicContact CD1-CD2 3.64Å; Y297-L328 HydrophobicContact CD1-CG 4.4Å; Y297-L328 HydrophobicContact CE1-CD2 4.08Å; A300-L328 HydrophobicContact CB-CD1 3.8Å; A326-L328 PolarHBondContact O-N 3.19Å; L328-E330 PolarHBondContact O-N 3.09Å; L328-K331 HydrophobicContact CB-CD 4.47Å; L328-K331 HydrophobicContact CD2-CB 4.35Å; L328-K331 HydrophobicContact CD2-CD 3.2Å; L328-K331 HydrophobicContact CD2-CG 4.39Å; L328-K331 HydrophobicContact CG-CD 4.37Å; L328-K331 CarbonylContact O-C 3.55Å; L328-K331 WeakPolarHBondContact O-CA 3.39Å; L328-K331 WeakPolarHBondContact O-CB 3.26Å; L328-K331 PolarHBondContact O-N 2.89Å; L328-A332 PolarHBondContact O-N 3.48Å; L328-H625 HydrophobicContact CB-CB 3.95Å; L328-H625 WeakPolarHBondContact CB-CE1 3.46Å; L328-H625 WeakPolarHBondContact CB-ND1 3.32Å; L328-H625 VanDerWaalsContact CD1-ND1 3.32Å; L328-H625 WeakPolarHBondContact CD1-ND1 3.48Å; L328-H625 PolarHBondContact O-CD2 2.84Å; L328-H625 VanDerWaalsContact O-CD2 3.28Å; L328-H625 PolarHBondContact O-CE1 3.33Å; L328-H625 PolarHBondContact O-NE2 3.15Å; L328-G626 VanDerWaalsContact CG-CA 3.4Å; L328-S627 VanDerWaalsContact CD2-OG 3.24Å; L328-S627 WeakPolarHBondContact CD2-OG 3.46Å; L328-S627 WeakPolarHBondContact CG-OG 3.43Å
329S90.2Very high88Confident0 Ų025.8 Ų25.80%015%0.148CC..Hα-helixtrans-68.8-28.7-178.667.40000112.2A326 D327 M334 S339 H625A326-S329 WeakPolarHBondContact O-CB 3.37Å; A326-S329 PolarHBondContact O-N 3.37Å; A326-S329 PolarHBondContact O-OG 3.18Å; D327-S329 PolarHBondContact O-N 3.15Å; S329-M334 VanDerWaalsContact CB-SD 3.53Å; S329-M334 VanDerWaalsContact O-CB 3.26Å; S329-M334 WeakPolarHBondContact O-CB 3.47Å; S329-M334 WeakPolarHBondContact O-CG 3.4Å; S329-M334 PolarHBondContact O-N 2.81Å; S329-S339 WeakPolarHBondContact OG-CA 3.37Å; S329-S339 WeakPolarHBondContact OG-CB 3.49Å; S329-H625 WeakPolarHBondContact CA-CD2 3.25Å; S329-H625 WeakPolarHBondContact CA-NE2 3.38Å; S329-H625 PolarHBondContact N-CD2 3.03Å; S329-H625 PolarHBondContact N-NE2 3.35Å
330E85.1Confident87.9Confident22 Ų2225.8 Ų25.810%0.10315%0.149CC..Hα-helixtrans-69.4-42.1164.7-56.1-59145.800111.1D327 L328 A332 D333 S339 M369 R373D327-E330 PolarHBondContact O-N 2.91Å; L328-E330 PolarHBondContact O-N 3.09Å; E330-A332 PolarHBondContact O-N 3.1Å; E330-D333 PolarHBondContact O-N 2.92Å; E330-S339 WeakPolarHBondContact OE1-CB 3.49Å; E330-S339 PolarHBondContact OE1-OG 3.19Å; E330-M369 HydrophobicContact CG-CG 3.75Å; E330-M369 HydrophobicContact CG-SD 4.48Å; E330-R373 IonicContact OE2-CZ 3.59Å; E330-R373 IonicContact OE2-NE 3.71Å; E330-R373 PolarHBondContact OE2-NE 2.84Å; E330-R373 IonicContact OE2-NH2 3.6Å; E330-R373 PolarHBondContact OE2-NH2 3.18Å
331K82.4Confident88Confident67 Ų6724.7 Ų24.729%0.29115%0.145SC..Hα-helixtrans-68.7-25.3180-68.5163.11701660114.9Y297 D327 L328Y297-K331 HydrophobicContact CD1-CB 4.13Å; Y297-K331 HydrophobicContact CD1-CD 4.48Å; Y297-K331 HydrophobicContact CD2-CB 4.16Å; Y297-K331 WeakPolarHBondContact CD2-O 3.31Å; Y297-K331 HydrophobicContact CE1-CB 4.13Å; Y297-K331 HydrophobicContact CE1-CD 4.14Å; Y297-K331 HydrophobicContact CE2-CB 4.18Å; Y297-K331 HydrophobicContact CG-CB 4.12Å; D327-K331 WeakPolarHBondContact OD2-CE 3.23Å; D327-K331 IonicContact OD2-NZ 2.84Å; D327-K331 PolarHBondContact OD2-NZ 3.35Å; L328-K331 HydrophobicContact CB-CD 4.47Å; L328-K331 HydrophobicContact CD2-CB 4.35Å; L328-K331 HydrophobicContact CD2-CD 3.2Å; L328-K331 HydrophobicContact CD2-CG 4.39Å; L328-K331 HydrophobicContact CG-CD 4.37Å; L328-K331 CarbonylContact O-C 3.55Å; L328-K331 WeakPolarHBondContact O-CA 3.39Å; L328-K331 WeakPolarHBondContact O-CB 3.26Å; L328-K331 PolarHBondContact O-N 2.89Å
332A82.9Confident88.3Confident11 Ų1126.3 Ų26.39%0.09115%0.151CC..THydrogen-bonded Turntrans-978.3177.900000114.7R298 L328 E330 R624 H625R298-A332 HydrophobicContact CG-CB 4.08Å; R298-A332 PolarHBondContact NE-O 3.24Å; R298-A332 PolarHBondContact NH2-O 2.97Å; L328-A332 PolarHBondContact O-N 3.48Å; E330-A332 PolarHBondContact O-N 3.1Å; A332-R624 HydrophobicContact CB-CG 4.47Å; A332-H625 WeakPolarHBondContact CB-NE2 3.36Å
333D81.2Confident88.2Confident117 Ų11726.7 Ų26.763%0.62615%0.152SC*.THydrogen-bonded Turntrans4968.8-174-158.231.6000112.5R298 E330 R373R298-D333 PolarHBondContact NH2-O 3.41Å; E330-D333 PolarHBondContact O-N 2.92Å; D333-R373 IonicContact OD1-NH2 3.67Å
334M84.7Confident88.3Confident17 Ų1731.2 Ų31.28%0.08417%0.172CC..  trans-83.3164166.8-67.4-152.979.700112.4Y301 S329 V338 R624Y301-M334 HydrophobicContact CE1-CE 4.09Å; Y301-M334 HydrophobicContact CE1-SD 4.27Å; Y301-M334 HydrophobicContact CE2-SD 3.57Å; Y301-M334 VanDerWaalsContact CE2-SD 3.57Å; Y301-M334 PolarHBondContact OH-SD 2.91Å; S329-M334 VanDerWaalsContact CB-SD 3.53Å; S329-M334 VanDerWaalsContact O-CB 3.26Å; S329-M334 WeakPolarHBondContact O-CB 3.47Å; S329-M334 WeakPolarHBondContact O-CG 3.4Å; S329-M334 PolarHBondContact O-N 2.81Å; M334-V338 HydrophobicContact CE-CB 3.72Å; M334-V338 HydrophobicContact CE-CG1 3.63Å; M334-V338 HydrophobicContact CE-CG2 3.69Å; M334-V338 HydrophobicContact SD-CB 3.96Å; M334-V338 HydrophobicContact SD-CG1 3.78Å; M334-R624 HydrophobicContact CE-CB 3.82Å; M334-R624 HydrophobicContact CG-CB 4.11Å; M334-R624 HydrophobicContact CG-CG 4.45Å; M334-R624 HydrophobicContact SD-CB 3.34Å; M334-R624 WeakPolarHBondContact SD-CB 3.28Å; M334-R624 HydrophobicContact SD-CG 4.28Å
335A83.1Confident88.4Confident60 Ų6032.3 Ų32.350%0.49618%0.18SC..  trans-66.2135.1158.400000110.1D337 V338A335-D337 WeakPolarHBondContact CB-OD1 3.46Å; A335-D337 PolarHBondContact O-N 3.17Å; A335-D337 VanDerWaalsContact O-N 3.12Å; A335-V338 PolarHBondContact O-N 3.09Å
336L82.2Confident88.3Confident28 Ų2832.3 Ų32.315%0.14718%0.18CC..Hα-helixtrans-59.8-19.2-174.1176.860.6000114.2V338 S339 V340 M369 R373 Y383L336-V338 VanDerWaalsContact C-N 3.25Å; L336-V338 PolarHBondContact O-N 3.44Å; L336-S339 PolarHBondContact O-OG 3.34Å; L336-V340 HydrophobicContact CD1-CG2 4.14Å; L336-V340 HydrophobicContact CG-CG2 4.35Å; L336-V340 VanDerWaalsContact O-CB 3.29Å; L336-V340 WeakPolarHBondContact O-CB 3.48Å; L336-V340 WeakPolarHBondContact O-CG2 3.04Å; L336-V340 PolarHBondContact O-N 2.99Å; L336-M369 HydrophobicContact CD1-CE 3.86Å; L336-M369 HydrophobicContact CD1-SD 3.65Å; L336-R373 HydrophobicContact CD1-CG 4.32Å; L336-Y383 HydrophobicContact CD2-CD2 4.05Å; L336-Y383 HydrophobicContact CD2-CE2 3.68Å; L336-Y383 HydrophobicContact CG-CD2 4.45Å; L336-Y383 HydrophobicContact CG-CE2 3.83Å
337D85.6Confident88.4Confident97 Ų9732.9 Ų32.952%0.51918%0.184SC..Hα-helixtrans-67.1-25.217458.6-32.2000113A335 G341A335-D337 WeakPolarHBondContact CB-OD1 3.46Å; A335-D337 PolarHBondContact O-N 3.17Å; A335-D337 VanDerWaalsContact O-N 3.12Å; D337-G341 PolarHBondContact O-N 3.19Å
338V89.5Confident88.7Confident41 Ų4138 Ų3825%0.24821%0.208CC..Hα-helixtrans-81.7-41.9178.7-171.80000112.3Y301 M334 A335 L336 V340 G341 W342Y301-V338 WeakPolarHBondContact OH-CG1 3.46Å; M334-V338 HydrophobicContact CE-CB 3.72Å; M334-V338 HydrophobicContact CE-CG1 3.63Å; M334-V338 HydrophobicContact CE-CG2 3.69Å; M334-V338 HydrophobicContact SD-CB 3.96Å; M334-V338 HydrophobicContact SD-CG1 3.78Å; A335-V338 PolarHBondContact O-N 3.09Å; L336-V338 VanDerWaalsContact C-N 3.25Å; L336-V338 PolarHBondContact O-N 3.44Å; V338-V340 PolarHBondContact O-N 2.81Å; V338-G341 CarbonylContact O-C 3.54Å; V338-G341 WeakPolarHBondContact O-CA 3.23Å; V338-G341 PolarHBondContact O-N 3.44Å; V338-W342 VanDerWaalsContact O-CD1 3.24Å; V338-W342 PolarHBondContact O-N 2.89Å
339S88.5Confident88.8Confident0 Ų039 Ų390%021%0.213CC..Hα-helixtrans-62.4-44.4173.470.20000111.3S329 E330 L336 G341 W342 Y343 M369S329-S339 WeakPolarHBondContact OG-CA 3.37Å; S329-S339 WeakPolarHBondContact OG-CB 3.49Å; E330-S339 WeakPolarHBondContact OE1-CB 3.49Å; E330-S339 PolarHBondContact OE1-OG 3.19Å; L336-S339 PolarHBondContact O-OG 3.34Å; S339-G341 VanDerWaalsContact C-N 3.26Å; S339-G341 PolarHBondContact O-N 3.21Å; S339-W342 PolarHBondContact O-N 2.92Å; S339-Y343 WeakPolarHBondContact O-CD2 3.38Å; S339-Y343 PolarHBondContact O-N 3.1Å; S339-M369 WeakPolarHBondContact OG-CE 3.18Å
340V90.2Very high88.9Confident2 Ų239 Ų391%0.01221%0.213CC..Hα-helixtrans-62-32.7170.7169.50000111.9L336 V338 K344 W366 M369 L370 Y383L336-V340 HydrophobicContact CD1-CG2 4.14Å; L336-V340 HydrophobicContact CG-CG2 4.35Å; L336-V340 VanDerWaalsContact O-CB 3.29Å; L336-V340 WeakPolarHBondContact O-CB 3.48Å; L336-V340 WeakPolarHBondContact O-CG2 3.04Å; L336-V340 PolarHBondContact O-N 2.99Å; V338-V340 PolarHBondContact O-N 2.81Å; V340-K344 HydrophobicContact CG1-CD 4.23Å; V340-K344 WeakPolarHBondContact O-CB 3.33Å; V340-K344 WeakPolarHBondContact O-CD 3.5Å; V340-K344 VanDerWaalsContact O-CG 3.22Å; V340-K344 WeakPolarHBondContact O-CG 3.28Å; V340-K344 PolarHBondContact O-N 2.86Å; V340-W366 HydrophobicContact CG1-CZ2 4.07Å; V340-M369 HydrophobicContact CG2-CE 4.01Å; V340-L370 HydrophobicContact CG2-CD2 4.3Å; V340-Y383 HydrophobicContact CB-CE1 4.36Å; V340-Y383 HydrophobicContact CG1-CD1 4.09Å; V340-Y383 HydrophobicContact CG1-CE1 3.85Å; V340-Y383 HydrophobicContact CG2-CD1 4.38Å; V340-Y383 HydrophobicContact CG2-CE1 4.24Å
341G92.3Very high89.1Confident26 Ų2640.9 Ų40.927%0.26823%0.229SC..Hα-helixtrans-62.4-46172.200000112.3D337 V338 S339 K344 S345D337-G341 PolarHBondContact O-N 3.19Å; V338-G341 CarbonylContact O-C 3.54Å; V338-G341 WeakPolarHBondContact O-CA 3.23Å; V338-G341 PolarHBondContact O-N 3.44Å; S339-G341 VanDerWaalsContact C-N 3.26Å; S339-G341 PolarHBondContact O-N 3.21Å; G341-K344 WeakPolarHBondContact O-CB 3.28Å; G341-K344 PolarHBondContact O-N 3.37Å; G341-S345 PolarHBondContact O-N 2.82Å; G341-S345 PolarHBondContact O-OG 3.48Å
342W95.5Very high89.5Confident37 Ų3744.7 Ų44.714%0.1425%0.246CC..Hα-helixtrans-69.8-41.7178.9-67.2129.8000113.5Y301 L305 Y308 L325 A326 V338 S339 K344 S345 A346 R624Y301-W342 PolarHBondContact OH-NE1 3.38Å; Y301-W342 VanDerWaalsContact OH-NE1 3.1Å; L305-W342 HydrophobicContact CD1-CH2 3.51Å; L305-W342 HydrophobicContact CD1-CZ2 3.72Å; Y308-W342 HydrophobicContact CD1-CZ3 4.28Å; Y308-W342 HydrophobicContact CE1-CH2 4.41Å; Y308-W342 AromaticContact CE1-CZ3 3.89Å; Y308-W342 HydrophobicContact CE1-CZ3 3.89Å; L325-W342 HydrophobicContact CB-CB 3.97Å; L325-W342 HydrophobicContact CB-CD2 3.41Å; L325-W342 VanDerWaalsContact CB-CD2 3.41Å; L325-W342 HydrophobicContact CB-CE3 3.93Å; L325-W342 HydrophobicContact CB-CG 3.41Å; L325-W342 VanDerWaalsContact CB-CG 3.41Å; L325-W342 HydrophobicContact CB-CZ2 4.37Å; L325-W342 HydrophobicContact CD1-CD2 3.89Å; L325-W342 HydrophobicContact CD1-CE3 3.46Å; L325-W342 VanDerWaalsContact CD1-CE3 3.46Å; L325-W342 HydrophobicContact CD1-CH2 3.96Å; L325-W342 HydrophobicContact CD1-CZ2 4.32Å; L325-W342 HydrophobicContact CD1-CZ3 3.5Å; L325-W342 HydrophobicContact CD2-CD2 4.44Å; L325-W342 HydrophobicContact CD2-CH2 4.1Å; L325-W342 HydrophobicContact CD2-CZ2 3.88Å; L325-W342 HydrophobicContact CD2-CZ3 4.45Å; L325-W342 HydrophobicContact CG-CD2 4.08Å; L325-W342 HydrophobicContact CG-CE3 4.18Å; L325-W342 HydrophobicContact CG-CZ2 4.41Å; L325-W342 HydrophobicContact CG-CZ3 4.4Å; A326-W342 HydrophobicContact CB-CB 3.93Å; V338-W342 VanDerWaalsContact O-CD1 3.24Å; V338-W342 PolarHBondContact O-N 2.89Å; S339-W342 PolarHBondContact O-N 2.92Å; W342-K344 VanDerWaalsContact C-N 3.28Å; W342-K344 PolarHBondContact O-N 3.02Å; W342-S345 PolarHBondContact O-N 2.7Å; W342-A346 WeakPolarHBondContact O-CB 3.34Å; W342-A346 PolarHBondContact O-N 2.84Å; W342-R624 PolarHBondContact NE1-O 3.17Å
343Y93.7Very high89.9Confident8 Ų846.7 Ų46.73%0.03125%0.254CS..Hα-helixtrans-61-35.8171.3-72.7-62.1000112.6L323 A326 S339 S347 V362 D365 W366 M369L323-Y343 HydrophobicContact CD2-CD1 3.71Å; L323-Y343 HydrophobicContact CD2-CE1 3.74Å; A326-Y343 HydrophobicContact CB-CD1 4.01Å; A326-Y343 HydrophobicContact CB-CD2 3.87Å; A326-Y343 HydrophobicContact CB-CE1 3.77Å; A326-Y343 HydrophobicContact CB-CE2 3.63Å; A326-Y343 HydrophobicContact CB-CG 4.05Å; S339-Y343 WeakPolarHBondContact O-CD2 3.38Å; S339-Y343 PolarHBondContact O-N 3.1Å; Y343-S347 WeakPolarHBondContact O-CB 3.06Å; Y343-S347 PolarHBondContact O-N 2.97Å; Y343-S347 PolarHBondContact O-OG 2.99Å; Y343-V362 HydrophobicContact CD1-CG1 4.5Å; Y343-D365 HydrophobicContact CE1-CB 3.94Å; Y343-D365 PolarHBondContact OH-O 3.13Å; Y343-W366 VanDerWaalsContact CB-CD2 3.44Å; Y343-W366 HydrophobicContact CD1-CB 3.62Å; Y343-W366 HydrophobicContact CD1-CG 4.09Å; Y343-W366 HydrophobicContact CD2-CB 4.04Å; Y343-W366 AromaticContact CD2-CD1 3.55Å; Y343-W366 HydrophobicContact CD2-CD2 4.49Å; Y343-W366 AromaticContact CD2-CG 3.8Å; Y343-W366 HydrophobicContact CD2-CG 3.8Å; Y343-W366 HydrophobicContact CE1-CB 4.02Å; Y343-W366 HydrophobicContact CE2-CB 4.4Å; Y343-W366 HydrophobicContact CE2-CG 4.5Å; Y343-W366 HydrophobicContact CG-CB 3.65Å; Y343-W366 AromaticContact CG-CD1 3.81Å; Y343-W366 HydrophobicContact CG-CD2 4.03Å; Y343-W366 AromaticContact CG-CG 3.57Å; Y343-W366 HydrophobicContact CG-CG 3.57Å; Y343-M369 HydrophobicContact CD2-CE 3.82Å; Y343-M369 HydrophobicContact CE2-CB 4Å; Y343-M369 HydrophobicContact CE2-CE 3.6Å; Y343-M369 HydrophobicContact CE2-CG 4.11Å
344K93Very high90.3Very high104 Ų10446.6 Ų46.645%0.45225%0.254SS..Hα-helixtrans-62.8-51.6171.5-77.3168.2-178.3173.60111.6V340 G341 W342 A346 S347 E348 W366V340-K344 HydrophobicContact CG1-CD 4.23Å; V340-K344 WeakPolarHBondContact O-CB 3.33Å; V340-K344 WeakPolarHBondContact O-CD 3.5Å; V340-K344 VanDerWaalsContact O-CG 3.22Å; V340-K344 WeakPolarHBondContact O-CG 3.28Å; V340-K344 PolarHBondContact O-N 2.86Å; G341-K344 WeakPolarHBondContact O-CB 3.28Å; G341-K344 PolarHBondContact O-N 3.37Å; W342-K344 VanDerWaalsContact C-N 3.28Å; W342-K344 PolarHBondContact O-N 3.02Å; K344-A346 VanDerWaalsContact C-N 3.32Å; K344-A346 PolarHBondContact O-N 2.87Å; K344-S347 PolarHBondContact O-N 2.81Å; K344-S347 PolarHBondContact O-OG 3.3Å; K344-E348 PolarHBondContact O-N 2.83Å; K344-W366 HydrophobicContact CG-CH2 3.61Å; K344-W366 HydrophobicContact CG-CZ2 4.1Å; K344-W366 HydrophobicContact CG-CZ3 4.45Å
345S93.6Very high90.3Very high36 Ų3649.6 Ų49.625%0.25226%0.264SS..Hα-helixtrans-55.1-46.1177.1-630000112G341 W342 S347 E348 L349G341-S345 PolarHBondContact O-N 2.82Å; G341-S345 PolarHBondContact O-OG 3.48Å; W342-S345 PolarHBondContact O-N 2.7Å; S345-S347 PolarHBondContact O-N 3.23Å; S345-E348 PolarHBondContact O-N 3.36Å; S345-L349 WeakPolarHBondContact O-CB 3.28Å; S345-L349 WeakPolarHBondContact O-CG 3.44Å; S345-L349 PolarHBondContact O-N 2.9Å
346A93.7Very high90.6Very high0 Ų051.5 Ų51.50%026%0.261CS..Hα-helixtrans-59.6-43.3174.300000112A322 L323 W342 K344 L349 A350 V362A322-A346 HydrophobicContact CB-CB 3.74Å; L323-A346 HydrophobicContact CD2-CB 4.14Å; L323-A346 HydrophobicContact CG-CB 4.4Å; W342-A346 WeakPolarHBondContact O-CB 3.34Å; W342-A346 PolarHBondContact O-N 2.84Å; K344-A346 VanDerWaalsContact C-N 3.32Å; K344-A346 PolarHBondContact O-N 2.87Å; A346-L349 PolarHBondContact O-N 3.22Å; A346-A350 VanDerWaalsContact O-CB 3.29Å; A346-A350 WeakPolarHBondContact O-CB 3.33Å; A346-A350 PolarHBondContact O-N 3.08Å; A346-V362 HydrophobicContact CB-CG1 3.9Å; A346-V362 HydrophobicContact CB-CG2 3.85Å
347S92.7Very high90.8Very high12 Ų1252 Ų528%0.08426%0.264CS..Hα-helixtrans-68.1-35.3178.978.60000113Y343 K344 S345 S351Y343-S347 WeakPolarHBondContact O-CB 3.06Å; Y343-S347 PolarHBondContact O-N 2.97Å; Y343-S347 PolarHBondContact O-OG 2.99Å; K344-S347 PolarHBondContact O-N 2.81Å; K344-S347 PolarHBondContact O-OG 3.3Å; S345-S347 PolarHBondContact O-N 3.23Å; S347-S351 VanDerWaalsContact O-CB 3.27Å; S347-S351 WeakPolarHBondContact O-CB 3.48Å; S347-S351 PolarHBondContact O-N 3.36Å; S347-S351 PolarHBondContact O-OG 3.16Å
348E92.8Very high90.8Very high112 Ų11249 Ų4952%0.52325%0.248SC..Hα-helixtrans-70.2-41.1175.1-78.8-167.2-153.600112.1K344 S345 K352K344-E348 PolarHBondContact O-N 2.83Å; S345-E348 PolarHBondContact O-N 3.36Å; E348-K352 VanDerWaalsContact O-CD 3.25Å; E348-K352 WeakPolarHBondContact O-CD 3.35Å; E348-K352 WeakPolarHBondContact O-CE 3.31Å; E348-K352 WeakPolarHBondContact O-CG 3.22Å; E348-K352 PolarHBondContact O-N 2.89Å; E348-K352 IonicContact OE2-NZ 3.4Å; E348-K352 PolarHBondContact OE2-NZ 2.97Å
349L92.4Very high90.9Very high21 Ų2147.4 Ų47.411%0.1124%0.238CC..Hα-helixtrans-64.2-51.2173.9-72.1170000110.3Y308 Q318 I319 S345 A346 S351 K352 I353Y308-L349 HydrophobicContact CE2-CD1 4.19Å; Q318-L349 HydrophobicContact CB-CD1 4.32Å; Q318-L349 HydrophobicContact CG-CD1 3.87Å; I319-L349 HydrophobicContact CD1-CB 3.94Å; I319-L349 HydrophobicContact CG1-CB 3.46Å; I319-L349 VanDerWaalsContact CG1-CB 3.46Å; I319-L349 HydrophobicContact CG1-CD1 4.29Å; S345-L349 WeakPolarHBondContact O-CB 3.28Å; S345-L349 WeakPolarHBondContact O-CG 3.44Å; S345-L349 PolarHBondContact O-N 2.9Å; A346-L349 PolarHBondContact O-N 3.22Å; L349-S351 PolarHBondContact O-N 3.22Å; L349-K352 WeakPolarHBondContact O-CA 3.37Å; L349-K352 WeakPolarHBondContact O-CB 3.25Å; L349-K352 PolarHBondContact O-N 3.49Å; L349-I353 WeakPolarHBondContact O-CG1 3.36Å; L349-I353 PolarHBondContact O-N 3.13Å
350A91.4Very high90.9Very high0 Ų047.4 Ų47.40%024%0.238CC..Hα-helixtrans-59-35.317900000112.5I319 A346 K352 I353 D354 L358 M359 V362I319-A350 HydrophobicContact CD1-CB 3.86Å; A346-A350 VanDerWaalsContact O-CB 3.29Å; A346-A350 WeakPolarHBondContact O-CB 3.33Å; A346-A350 PolarHBondContact O-N 3.08Å; A350-K352 VanDerWaalsContact C-N 3.33Å; A350-K352 PolarHBondContact O-N 3.38Å; A350-I353 PolarHBondContact O-N 3.07Å; A350-D354 PolarHBondContact O-N 3.08Å; A350-D354 VanDerWaalsContact O-N 3.11Å; A350-L358 HydrophobicContact CB-CB 4.41Å; A350-M359 HydrophobicContact CB-CB 4.41Å; A350-M359 HydrophobicContact CB-CG 3.54Å; A350-V362 HydrophobicContact CB-CG2 4.48Å
351S90.5Very high90.9Very high63 Ų6348 Ų4844%0.44124%0.241SC..Hα-helixtrans-70.2-22.7173.5-580000114S347 L349S347-S351 VanDerWaalsContact O-CB 3.27Å; S347-S351 WeakPolarHBondContact O-CB 3.48Å; S347-S351 PolarHBondContact O-N 3.36Å; S347-S351 PolarHBondContact O-OG 3.16Å; L349-S351 PolarHBondContact O-N 3.22Å
352K91.1Very high90.8Very high147 Ų14746.7 Ų46.764%0.63923%0.228SC*.Hα-helixtrans-81.2-27175.3-70.3156.6-165.5160.30112.6E348 L349 A350E348-K352 VanDerWaalsContact O-CD 3.25Å; E348-K352 WeakPolarHBondContact O-CD 3.35Å; E348-K352 WeakPolarHBondContact O-CE 3.31Å; E348-K352 WeakPolarHBondContact O-CG 3.22Å; E348-K352 PolarHBondContact O-N 2.89Å; E348-K352 IonicContact OE2-NZ 3.4Å; E348-K352 PolarHBondContact OE2-NZ 2.97Å; L349-K352 WeakPolarHBondContact O-CA 3.37Å; L349-K352 WeakPolarHBondContact O-CB 3.25Å; L349-K352 PolarHBondContact O-N 3.49Å; A350-K352 VanDerWaalsContact C-N 3.33Å; A350-K352 PolarHBondContact O-N 3.38Å
353I90.8Very high90.6Very high53 Ų5346.3 Ų46.327%0.27223%0.227SC..Hα-helixtrans-90.1-16.2175.8-38173.4000112.2P315 E316 I319 L349 A350 R355P315-I353 HydrophobicContact CB-CD1 3.76Å; P315-I353 HydrophobicContact CB-CG1 4.21Å; P315-I353 HydrophobicContact CG-CD1 3.83Å; P315-I353 HydrophobicContact CG-CG1 4.14Å; E316-I353 HydrophobicContact CG-CD1 3.71Å; I319-I353 HydrophobicContact CD1-CD1 3.45Å; I319-I353 VanDerWaalsContact CD1-CD1 3.45Å; I319-I353 HydrophobicContact CD1-CG1 4.4Å; L349-I353 WeakPolarHBondContact O-CG1 3.36Å; L349-I353 PolarHBondContact O-N 3.13Å; A350-I353 PolarHBondContact O-N 3.07Å; I353-R355 HydrophobicContact CB-CB 4.48Å; I353-R355 HydrophobicContact CB-CG 4.13Å; I353-R355 HydrophobicContact CG2-CG 3.71Å; I353-R355 PolarHBondContact O-N 2.92Å
354D89.4Confident90.5Very high115 Ų11547.8 Ų47.862%0.61523%0.234SC*.THydrogen-bonded Turntrans59.423.3-172-159.727.5000114.5A350 K356A350-D354 PolarHBondContact O-N 3.08Å; A350-D354 VanDerWaalsContact O-N 3.11Å; D354-K356 PolarHBondContact O-N 2.83Å; D354-K356 VanDerWaalsContact O-N 3.14Å
355R85.3Confident90.2Very high80 Ų8043.9 Ų43.930%0.30222%0.218SC..  trans-79.192.8175.9-76.7-71.4-62.9-90-3.5110.9E316 I353 D357 L358 M359E316-R355 IonicContact OE1-CZ 3.76Å; E316-R355 IonicContact OE1-NH1 2.72Å; E316-R355 PolarHBondContact OE1-NH1 3.46Å; E316-R355 IonicContact OE2-CZ 3.62Å; E316-R355 IonicContact OE2-NH1 3.48Å; E316-R355 PolarHBondContact OE2-NH1 3.24Å; E316-R355 IonicContact OE2-NH2 2.71Å; I353-R355 HydrophobicContact CB-CB 4.48Å; I353-R355 HydrophobicContact CB-CG 4.13Å; I353-R355 HydrophobicContact CG2-CG 3.71Å; I353-R355 PolarHBondContact O-N 2.92Å; R355-D357 VanDerWaalsContact C-N 3.28Å; R355-D357 IonicContact CZ-OD1 3.95Å; R355-D357 IonicContact CZ-OD2 3.36Å; R355-D357 IonicContact NE-OD1 2.95Å; R355-D357 PolarHBondContact NE-OD1 2.76Å; R355-D357 IonicContact NE-OD2 2.63Å; R355-D357 PolarHBondContact NE-OD2 2.88Å; R355-D357 IonicContact NH2-OD1 3.19Å; R355-D357 IonicContact NH2-OD2 2.84Å; R355-D357 PolarHBondContact NH2-OD2 3.25Å; R355-D357 PolarHBondContact O-N 2.96Å; R355-L358 HydrophobicContact CB-CB 3.94Å; R355-L358 HydrophobicContact CB-CD1 3.81Å; R355-L358 HydrophobicContact CB-CG 3.91Å; R355-L358 HydrophobicContact CG-CD1 4.15Å; R355-L358 PolarHBondContact O-N 3.18Å; R355-M359 WeakPolarHBondContact O-CG 3.11Å; R355-M359 PolarHBondContact O-N 2.88Å
356K87.7Confident90.2Very high99 Ų9942.9 Ų42.943%0.4321%0.209SC..Hα-helixtrans-62.3-30.8-178.1-67-175.2-177.8178.80114.3D354 M359 A360 L395 F398D354-K356 PolarHBondContact O-N 2.83Å; D354-K356 VanDerWaalsContact O-N 3.14Å; K356-M359 HydrophobicContact CG-CE 4.2Å; K356-A360 VanDerWaalsContact O-CB 3.31Å; K356-A360 WeakPolarHBondContact O-CB 3.44Å; K356-A360 PolarHBondContact O-N 3.34Å; K356-L395 HydrophobicContact CB-CD2 4.43Å; K356-F398 HydrophobicContact CB-CB 4.49Å; K356-F398 HydrophobicContact CB-CD1 4.21Å; K356-F398 HydrophobicContact CB-CD2 4.1Å; K356-F398 HydrophobicContact CB-CE2 4.46Å; K356-F398 HydrophobicContact CB-CG 3.99Å; K356-F398 HydrophobicContact CD-CD2 4.46Å; K356-F398 HydrophobicContact CD-CE1 4.17Å; K356-F398 HydrophobicContact CD-CE2 3.99Å; K356-F398 HydrophobicContact CD-CZ 3.84Å
357D87Confident90Very high39 Ų3943.2 Ų43.221%0.20921%0.211CC..Hα-helixtrans-66.8-44.3173.660.9-47.7000111.6R355 A360 T361R355-D357 VanDerWaalsContact C-N 3.28Å; R355-D357 IonicContact CZ-OD1 3.95Å; R355-D357 IonicContact CZ-OD2 3.36Å; R355-D357 IonicContact NE-OD1 2.95Å; R355-D357 PolarHBondContact NE-OD1 2.76Å; R355-D357 IonicContact NE-OD2 2.63Å; R355-D357 PolarHBondContact NE-OD2 2.88Å; R355-D357 IonicContact NH2-OD1 3.19Å; R355-D357 IonicContact NH2-OD2 2.84Å; R355-D357 PolarHBondContact NH2-OD2 3.25Å; R355-D357 PolarHBondContact O-N 2.96Å; D357-A360 PolarHBondContact O-N 2.72Å; D357-T361 PolarHBondContact O-N 3.06Å; D357-T361 PolarHBondContact O-OG1 3.4Å
358L86.1Confident89.6Confident34 Ų3446 Ų4618%0.17823%0.225CC..Hα-helixtrans-65-46172.2-65.2-178.5000111E316 I319 A350 R355 A360 T361 V362E316-L358 HydrophobicContact CB-CD1 4.28Å; E316-L358 HydrophobicContact CG-CD1 3.94Å; I319-L358 HydrophobicContact CD1-CD1 3.93Å; A350-L358 HydrophobicContact CB-CB 4.41Å; R355-L358 HydrophobicContact CB-CB 3.94Å; R355-L358 HydrophobicContact CB-CD1 3.81Å; R355-L358 HydrophobicContact CB-CG 3.91Å; R355-L358 HydrophobicContact CG-CD1 4.15Å; R355-L358 PolarHBondContact O-N 3.18Å; L358-A360 VanDerWaalsContact C-N 3.27Å; L358-A360 PolarHBondContact O-N 3.38Å; L358-T361 WeakPolarHBondContact O-CB 3.35Å; L358-T361 PolarHBondContact O-N 3.16Å; L358-T361 VanDerWaalsContact O-N 3.17Å; L358-V362 WeakPolarHBondContact O-CG2 3.42Å; L358-V362 PolarHBondContact O-N 3.15Å
359M91Very high89.2Confident7 Ų741.3 Ų41.33%0.03420%0.203CC..Hα-helixtrans-55.8-42.2174.3-70.4-173.4-114.500111.9A350 R355 K356 T361 V362 Y363 L395A350-M359 HydrophobicContact CB-CB 4.41Å; A350-M359 HydrophobicContact CB-CG 3.54Å; R355-M359 WeakPolarHBondContact O-CG 3.11Å; R355-M359 PolarHBondContact O-N 2.88Å; K356-M359 HydrophobicContact CG-CE 4.2Å; M359-T361 PolarHBondContact O-N 2.78Å; M359-V362 PolarHBondContact O-N 2.97Å; M359-Y363 VanDerWaalsContact O-CD2 3.3Å; M359-Y363 WeakPolarHBondContact O-CD2 3.46Å; M359-Y363 PolarHBondContact O-N 3.45Å; M359-L395 HydrophobicContact CB-CD1 3.81Å; M359-L395 HydrophobicContact CB-CD2 4.36Å
360A89.6Confident88.8Confident0 Ų040.7 Ų40.70%020%0.2CC..Hα-helixtrans-60.6-44178.300000111.8K356 D357 L358 Y363 H364 W392 L395 F398K356-A360 VanDerWaalsContact O-CB 3.31Å; K356-A360 WeakPolarHBondContact O-CB 3.44Å; K356-A360 PolarHBondContact O-N 3.34Å; D357-A360 PolarHBondContact O-N 2.72Å; L358-A360 VanDerWaalsContact C-N 3.27Å; L358-A360 PolarHBondContact O-N 3.38Å; A360-Y363 PolarHBondContact O-N 3.43Å; A360-H364 VanDerWaalsContact O-CB 3.29Å; A360-H364 WeakPolarHBondContact O-CB 3.33Å; A360-H364 PolarHBondContact O-N 3.1Å; A360-W392 HydrophobicContact CB-CZ3 4.34Å; A360-W392 WeakPolarHBondContact O-CZ3 3.4Å; A360-L395 HydrophobicContact CB-CB 4.01Å; A360-L395 WeakPolarHBondContact CB-O 3.47Å; A360-F398 HydrophobicContact CB-CB 4.22Å
361T88.7Confident88.3Confident14 Ų1444.6 Ų44.69%0.08622%0.218CC..Hα-helixtrans-60-45.9173.5-52.20000111.8L323 D357 L358 M359 Y363 H364 D365 Y399L323-T361 HydrophobicContact CD1-CG2 3.77Å; D357-T361 PolarHBondContact O-N 3.06Å; D357-T361 PolarHBondContact O-OG1 3.4Å; L358-T361 WeakPolarHBondContact O-CB 3.35Å; L358-T361 PolarHBondContact O-N 3.16Å; L358-T361 VanDerWaalsContact O-N 3.17Å; M359-T361 PolarHBondContact O-N 2.78Å; T361-Y363 PolarHBondContact O-N 3.14Å; T361-H364 PolarHBondContact O-N 3.41Å; T361-D365 PolarHBondContact O-N 2.89Å; T361-Y399 HydrophobicContact CG2-CE2 4.25Å
362V90.9Very high87.4Confident0 Ų045.9 Ų45.90%021%0.213CC..Hα-helixtrans-58.8-47.9178.1-178.80000111.8I319 L323 Y343 A346 A350 L358 M359 W366I319-V362 HydrophobicContact CG2-CG2 4.16Å; L323-V362 HydrophobicContact CD1-CG2 4.22Å; L323-V362 HydrophobicContact CD2-CB 4.18Å; L323-V362 HydrophobicContact CD2-CG1 4.13Å; L323-V362 HydrophobicContact CD2-CG2 4Å; L323-V362 HydrophobicContact CG-CG2 4.33Å; Y343-V362 HydrophobicContact CD1-CG1 4.5Å; A346-V362 HydrophobicContact CB-CG1 3.9Å; A346-V362 HydrophobicContact CB-CG2 3.85Å; A350-V362 HydrophobicContact CB-CG2 4.48Å; L358-V362 WeakPolarHBondContact O-CG2 3.42Å; L358-V362 PolarHBondContact O-N 3.15Å; M359-V362 PolarHBondContact O-N 2.97Å; V362-W366 WeakPolarHBondContact O-CB 3.38Å; V362-W366 PolarHBondContact O-N 3.05Å; V362-W366 VanDerWaalsContact O-N 3.07Å
363Y92Very high86.4Confident28 Ų2840.4 Ų40.411%0.1119%0.189CC..Hα-helixtrans-74-28-178.4-78.9-77.9000113.4M359 A360 T361 W366 L367 I388 R391 L395M359-Y363 VanDerWaalsContact O-CD2 3.3Å; M359-Y363 WeakPolarHBondContact O-CD2 3.46Å; M359-Y363 PolarHBondContact O-N 3.45Å; A360-Y363 PolarHBondContact O-N 3.43Å; T361-Y363 PolarHBondContact O-N 3.14Å; Y363-W366 HydrophobicContact CD1-CE3 4.28Å; Y363-W366 HydrophobicContact CE1-CE3 4.07Å; Y363-W366 HydrophobicContact CE1-CZ3 4.04Å; Y363-L367 WeakPolarHBondContact O-CB 3.3Å; Y363-L367 PolarHBondContact O-N 2.83Å; Y363-L367 VanDerWaalsContact O-N 3.12Å; Y363-I388 HydrophobicContact CD1-CD1 4.43Å; Y363-I388 HydrophobicContact CD1-CG2 4.17Å; Y363-I388 HydrophobicContact CE1-CD1 3.99Å; Y363-R391 HydrophobicContact CD1-CB 3.88Å; Y363-R391 HydrophobicContact CD1-CG 3.83Å; Y363-R391 HydrophobicContact CD2-CG 3.87Å; Y363-R391 HydrophobicContact CE1-CB 3.79Å; Y363-R391 HydrophobicContact CE1-CG 3.56Å; Y363-R391 HydrophobicContact CE2-CG 3.62Å; Y363-R391 HydrophobicContact CG-CB 4.37Å; Y363-R391 HydrophobicContact CG-CG 4Å; Y363-R391 VanDerWaalsContact CZ-CG 3.47Å; Y363-L395 HydrophobicContact CD2-CD1 3.6Å; Y363-L395 HydrophobicContact CE2-CD1 4.23Å; Y363-L395 HydrophobicContact CG-CD1 4.3Å
364H90.7Very high85.3Confident40 Ų4041.7 Ų41.719%0.18520%0.201CC..Hα-helixtrans-62.2-56.6170.7176-101.4000111.3A360 T361 W366 L367 N368 W392 Y399A360-H364 VanDerWaalsContact O-CB 3.29Å; A360-H364 WeakPolarHBondContact O-CB 3.33Å; A360-H364 PolarHBondContact O-N 3.1Å; T361-H364 PolarHBondContact O-N 3.41Å; H364-W366 PolarHBondContact O-N 3.38Å; H364-L367 PolarHBondContact O-N 3.3Å; H364-N368 PolarHBondContact CE1-ND2 3.36Å; H364-N368 PolarHBondContact ND1-ND2 3.32Å; H364-N368 PolarHBondContact NE2-ND2 2.94Å; H364-N368 VanDerWaalsContact NE2-ND2 3.18Å; H364-N368 PolarHBondContact O-N 3.18Å; H364-N368 PolarHBondContact O-ND2 3.08Å; H364-N368 VanDerWaalsContact O-ND2 3.12Å; H364-W392 HydrophobicContact CB-CE3 3.95Å; H364-W392 HydrophobicContact CB-CH2 3.87Å; H364-W392 HydrophobicContact CB-CZ2 4.44Å; H364-W392 HydrophobicContact CB-CZ3 3.6Å; H364-W392 AromaticContact CD2-CH2 3.69Å; H364-W392 AromaticContact CD2-CZ2 3.71Å; H364-Y399 HydrophobicContact CB-CD2 4.29Å; H364-Y399 HydrophobicContact CB-CE2 4.06Å; H364-Y399 AromaticContact CD2-CE1 3.93Å; H364-Y399 AromaticContact CE1-CE1 3.92Å; H364-Y399 AromaticContact CE1-CZ 3.64Å; H364-Y399 PolarHBondContact CE1-OH 3.45Å; H364-Y399 AromaticContact CG-CE2 3.96Å; H364-Y399 AromaticContact CG-CZ 3.74Å; H364-Y399 AromaticContact ND1-CE2 3.93Å; H364-Y399 AromaticContact ND1-CZ 3.48Å; H364-Y399 PolarHBondContact ND1-OH 3.26Å; H364-Y399 AromaticContact NE2-CE1 3.85Å
365D88Confident84.2Confident21 Ų2141.7 Ų41.711%0.11221%0.206CC..Hα-helixtrans-70.4-36.6-172.5-65.7-15.1000111.4Y343 T361 N368 M369Y343-D365 HydrophobicContact CE1-CB 3.94Å; Y343-D365 PolarHBondContact OH-O 3.13Å; T361-D365 PolarHBondContact O-N 2.89Å; D365-N368 PolarHBondContact O-N 3.33Å; D365-M369 WeakPolarHBondContact O-CB 3.46Å; D365-M369 PolarHBondContact O-N 3.4Å
366W91.8Very high82.9Confident16 Ų1640.4 Ų40.46%0.06121%0.209CC..Hα-helixtrans-62.8-42.9172.8-168.34.3000112.1V340 Y343 K344 V362 Y363 H364 M369 L370 I388V340-W366 HydrophobicContact CG1-CZ2 4.07Å; Y343-W366 VanDerWaalsContact CB-CD2 3.44Å; Y343-W366 HydrophobicContact CD1-CB 3.62Å; Y343-W366 HydrophobicContact CD1-CG 4.09Å; Y343-W366 HydrophobicContact CD2-CB 4.04Å; Y343-W366 AromaticContact CD2-CD1 3.55Å; Y343-W366 HydrophobicContact CD2-CD2 4.49Å; Y343-W366 AromaticContact CD2-CG 3.8Å; Y343-W366 HydrophobicContact CD2-CG 3.8Å; Y343-W366 HydrophobicContact CE1-CB 4.02Å; Y343-W366 HydrophobicContact CE2-CB 4.4Å; Y343-W366 HydrophobicContact CE2-CG 4.5Å; Y343-W366 HydrophobicContact CG-CB 3.65Å; Y343-W366 AromaticContact CG-CD1 3.81Å; Y343-W366 HydrophobicContact CG-CD2 4.03Å; Y343-W366 AromaticContact CG-CG 3.57Å; Y343-W366 HydrophobicContact CG-CG 3.57Å; K344-W366 HydrophobicContact CG-CH2 3.61Å; K344-W366 HydrophobicContact CG-CZ2 4.1Å; K344-W366 HydrophobicContact CG-CZ3 4.45Å; V362-W366 WeakPolarHBondContact O-CB 3.38Å; V362-W366 PolarHBondContact O-N 3.05Å; V362-W366 VanDerWaalsContact O-N 3.07Å; Y363-W366 HydrophobicContact CD1-CE3 4.28Å; Y363-W366 HydrophobicContact CE1-CE3 4.07Å; Y363-W366 HydrophobicContact CE1-CZ3 4.04Å; H364-W366 PolarHBondContact O-N 3.38Å; W366-M369 PolarHBondContact O-N 3.07Å; W366-L370 WeakPolarHBondContact O-CG 3.24Å; W366-L370 PolarHBondContact O-N 2.95Å; W366-I388 HydrophobicContact CB-CG2 4.46Å; W366-I388 HydrophobicContact CD2-CD1 3.89Å; W366-I388 HydrophobicContact CD2-CG1 4.33Å; W366-I388 HydrophobicContact CD2-CG2 4.33Å; W366-I388 HydrophobicContact CE3-CD1 3.74Å; W366-I388 HydrophobicContact CG-CG2 4.25Å; W366-I388 HydrophobicContact CH2-CD1 3.5Å; W366-I388 HydrophobicContact CZ2-CD1 3.64Å; W366-I388 HydrophobicContact CZ2-CG1 4.31Å; W366-I388 HydrophobicContact CZ3-CD1 3.57Å
367L89.3Confident81.3Confident7 Ų739.3 Ų39.34%0.03721%0.208CC..Hα-helixtrans-65.4-44.3177.5-176.662.9000111.4Y363 H364 M369 L370 Q371 L385 I388 E389 W392Y363-L367 WeakPolarHBondContact O-CB 3.3Å; Y363-L367 PolarHBondContact O-N 2.83Å; Y363-L367 VanDerWaalsContact O-N 3.12Å; H364-L367 PolarHBondContact O-N 3.3Å; L367-M369 PolarHBondContact O-N 3.44Å; L367-L370 PolarHBondContact O-N 2.69Å; L367-Q371 HydrophobicContact CD1-CG 4.18Å; L367-Q371 HydrophobicContact CG-CG 4.33Å; L367-Q371 WeakPolarHBondContact O-CB 3.26Å; L367-Q371 VanDerWaalsContact O-CG 3.32Å; L367-Q371 WeakPolarHBondContact O-CG 3.43Å; L367-Q371 PolarHBondContact O-N 3.18Å; L367-L385 HydrophobicContact CD1-CD1 3.93Å; L367-I388 HydrophobicContact CB-CG2 4.11Å; L367-I388 HydrophobicContact CD1-CG2 4.29Å; L367-E389 HydrophobicContact CD1-CB 4.05Å; L367-W392 HydrophobicContact CD2-CB 4.08Å; L367-W392 HydrophobicContact CD2-CG 3.85Å
368N84.5Confident79.6Confident70 Ų7043.7 Ų43.737%0.37423%0.231SC..Hα-helixtrans-60.1-43.5177.5-71.9-36.9000111.8H364 D365 W372H364-N368 PolarHBondContact CE1-ND2 3.36Å; H364-N368 PolarHBondContact ND1-ND2 3.32Å; H364-N368 PolarHBondContact NE2-ND2 2.94Å; H364-N368 VanDerWaalsContact NE2-ND2 3.18Å; H364-N368 PolarHBondContact O-N 3.18Å; H364-N368 PolarHBondContact O-ND2 3.08Å; H364-N368 VanDerWaalsContact O-ND2 3.12Å; D365-N368 PolarHBondContact O-N 3.33Å; N368-W372 WeakPolarHBondContact O-CB 3.47Å; N368-W372 PolarHBondContact O-N 3.44Å
369M84.7Confident78.1Confident13 Ų1345.3 Ų45.36%0.06424%0.24CC..Hα-helixtrans-60.7-49.5175.4-178.5-78.7-77.100111.7E330 L336 S339 V340 Y343 D365 W366 L367 Q371 W372 R373E330-M369 HydrophobicContact CG-CG 3.75Å; E330-M369 HydrophobicContact CG-SD 4.48Å; L336-M369 HydrophobicContact CD1-CE 3.86Å; L336-M369 HydrophobicContact CD1-SD 3.65Å; S339-M369 WeakPolarHBondContact OG-CE 3.18Å; V340-M369 HydrophobicContact CG2-CE 4.01Å; Y343-M369 HydrophobicContact CD2-CE 3.82Å; Y343-M369 HydrophobicContact CE2-CB 4Å; Y343-M369 HydrophobicContact CE2-CE 3.6Å; Y343-M369 HydrophobicContact CE2-CG 4.11Å; D365-M369 WeakPolarHBondContact O-CB 3.46Å; D365-M369 PolarHBondContact O-N 3.4Å; W366-M369 PolarHBondContact O-N 3.07Å; L367-M369 PolarHBondContact O-N 3.44Å; M369-Q371 PolarHBondContact O-N 2.98Å; M369-W372 PolarHBondContact O-N 2.94Å; M369-R373 PolarHBondContact O-N 2.97Å; M369-R373 HydrophobicContact SD-CG 4.18Å
370L83.8Confident76.2Confident8 Ų853.4 Ų53.44%0.04228%0.275CS..Hα-helixtrans-65.1-40.4-179.1-71.9177000112.3V340 W366 L367 R373 C374 L385 I388V340-L370 HydrophobicContact CG2-CD2 4.3Å; W366-L370 WeakPolarHBondContact O-CG 3.24Å; W366-L370 PolarHBondContact O-N 2.95Å; L367-L370 PolarHBondContact O-N 2.69Å; L370-R373 PolarHBondContact O-N 3.31Å; L370-C374 WeakPolarHBondContact O-CB 3.45Å; L370-C374 PolarHBondContact O-N 3.35Å; L370-C374 PolarHBondContact O-SG 3.26Å; L370-L385 HydrophobicContact CB-CD1 3.62Å; L370-L385 HydrophobicContact CD1-CD1 4.17Å; L370-I388 HydrophobicContact CD1-CB 4.48Å; L370-I388 HydrophobicContact CD1-CG1 4.04Å; L370-I388 HydrophobicContact CD1-CG2 4.44Å
371Q81.1Confident74.7Confident83 Ų8359.7 Ų59.739%0.38830%0.302SS..Hα-helixtrans-61.7-44.6175.2-74.9-177.6-1.500111.2L367 M369 C374 T375L367-Q371 HydrophobicContact CD1-CG 4.18Å; L367-Q371 HydrophobicContact CG-CG 4.33Å; L367-Q371 WeakPolarHBondContact O-CB 3.26Å; L367-Q371 VanDerWaalsContact O-CG 3.32Å; L367-Q371 WeakPolarHBondContact O-CG 3.43Å; L367-Q371 PolarHBondContact O-N 3.18Å; M369-Q371 PolarHBondContact O-N 2.98Å; Q371-C374 WeakPolarHBondContact O-CB 3.21Å; Q371-C374 PolarHBondContact O-N 3.42Å; Q371-T375 PolarHBondContact O-N 2.91Å; Q371-T375 PolarHBondContact O-OG1 3.5Å
372W71.1Confident73Confident90 Ų9065.7 Ų65.734%0.34134%0.339SS..Hα-helixtrans-63.2-46177.1179.578.5000112.7N368 M369 C374 T375 S376N368-W372 WeakPolarHBondContact O-CB 3.47Å; N368-W372 PolarHBondContact O-N 3.44Å; M369-W372 PolarHBondContact O-N 2.94Å; W372-C374 VanDerWaalsContact C-N 3.27Å; W372-C374 PolarHBondContact O-N 3.48Å; W372-T375 WeakPolarHBondContact CA-OG1 3.31Å; W372-T375 PolarHBondContact O-N 3.01Å; W372-T375 VanDerWaalsContact O-N 3.11Å; W372-T375 PolarHBondContact O-OG1 2.91Å; W372-S376 PolarHBondContact NE1-OG 3.14Å; W372-S376 PolarHBondContact O-N 2.04Å; W372-S376 PolarHBondContact O-OG 3.33Å; W372-S376 VanDerWaalsContact O-OG 3.07Å
373R70.2Confident71.6Confident32 Ų3269.2 Ų69.212%0.12135%0.352CS..Hα-helixtrans-61.2-35.5174.6-82.2-68.7-167.2170.84112.5E330 D333 L336 M369 L370 N377E330-R373 IonicContact OE2-CZ 3.59Å; E330-R373 IonicContact OE2-NE 3.71Å; E330-R373 PolarHBondContact OE2-NE 2.84Å; E330-R373 IonicContact OE2-NH2 3.6Å; E330-R373 PolarHBondContact OE2-NH2 3.18Å; D333-R373 IonicContact OD1-NH2 3.67Å; L336-R373 HydrophobicContact CD1-CG 4.32Å; M369-R373 PolarHBondContact O-N 2.97Å; M369-R373 HydrophobicContact SD-CG 4.18Å; L370-R373 PolarHBondContact O-N 3.31Å; R373-N377 PolarHBondContact NH1-ND2 2.79Å; R373-N377 PolarHBondContact O-N 3.39Å; R373-N377 VanDerWaalsContact O-N 3.17Å
374C69.2Low70.6Confident79 Ų7972.2 Ų72.253%0.53437%0.37SS..Hα-helixtrans-66.9-32.3174.7-71.50000113.2L370 Q371 W372L370-C374 WeakPolarHBondContact O-CB 3.45Å; L370-C374 PolarHBondContact O-N 3.35Å; L370-C374 PolarHBondContact O-SG 3.26Å; Q371-C374 WeakPolarHBondContact O-CB 3.21Å; Q371-C374 PolarHBondContact O-N 3.42Å; W372-C374 VanDerWaalsContact C-N 3.27Å; W372-C374 PolarHBondContact O-N 3.48Å
375T65.1Low70.1Confident116 Ų11672.8 Ų72.871%0.71238%0.375SS*.Hα-helixtrans-77.8-39.6174.246.50000113.1Q371 W372Q371-T375 PolarHBondContact O-N 2.91Å; Q371-T375 PolarHBondContact O-OG1 3.5Å; W372-T375 WeakPolarHBondContact CA-OG1 3.31Å; W372-T375 PolarHBondContact O-N 3.01Å; W372-T375 VanDerWaalsContact O-N 3.11Å; W372-T375 PolarHBondContact O-OG1 2.91Å
376S59Low69.9Low52 Ų5279.6 Ų79.636%0.36440%0.403SS..Hα-helixtrans-85.9-50.6-168.6-51.90000113.8W372W372-S376 PolarHBondContact NE1-OG 3.14Å; W372-S376 PolarHBondContact O-N 2.04Å; W372-S376 PolarHBondContact O-OG 3.33Å; W372-S376 VanDerWaalsContact O-OG 3.07Å
377N54.4Low69.7Low77 Ų7782.5 Ų82.541%0.41242%0.423SS..SBendtrans-97.5-2.4-161.2-79.549000115.3R373 D379R373-N377 PolarHBondContact NH1-ND2 2.79Å; R373-N377 PolarHBondContact O-N 3.39Å; R373-N377 VanDerWaalsContact O-N 3.17Å; N377-D379 HydrophobicContact CB-CB 4.29Å; N377-D379 PolarHBondContact O-N 3.05Å
378N50Low69.6Low131 Ų13182.8 Ų82.870%0.70142%0.424SS*.  trans56.29.3-171.8-113.4-49.1000114.4K380N378-K380 PolarHBondContact O-N 2.92Å
379D54.6Low69.8Low68 Ų6883.4 Ų83.436%0.36443%0.425SS..  trans-79.686.5-170.7-164.8-2.6000110.2N377 K381N377-D379 HydrophobicContact CB-CB 4.29Å; N377-D379 PolarHBondContact O-N 3.05Å; D379-K381 PolarHBondContact O-N 3.02Å; D379-K381 WeakPolarHBondContact OD1-CE 3.03Å; D379-K381 WeakPolarHBondContact OD1-CG 3.46Å; D379-K381 IonicContact OD1-NZ 2.72Å; D379-K381 IonicContact OD2-NZ 3.44Å; D379-K381 PolarHBondContact OD2-NZ 3.43Å
380K52.9Low70.1Confident176 Ų17687.7 Ų87.777%0.76545%0.448SS*.  trans-71.130.4-176.4-65.4175.9-173.3176.10114N378 V382N378-K380 PolarHBondContact O-N 2.92Å; K380-V382 PolarHBondContact O-N 3.05Å
381K56.8Low70.4Confident132 Ų13291.7 Ų91.757%0.57446%0.462SS*.  trans-66.8100.7164.6-75.9170.9-165.5140.20108.4D379 Y383D379-K381 PolarHBondContact O-N 3.02Å; D379-K381 WeakPolarHBondContact OD1-CE 3.03Å; D379-K381 WeakPolarHBondContact OD1-CG 3.46Å; D379-K381 IonicContact OD1-NZ 2.72Å; D379-K381 IonicContact OD2-NZ 3.44Å; D379-K381 PolarHBondContact OD2-NZ 3.43Å; K381-Y383 PolarHBondContact O-N 2.99Å
382V52.3Low70.8Confident141 Ų14189.7 Ų89.786%0.85545%0.451SS*.  trans-7179.2178-171.20000109.7K380K380-V382 PolarHBondContact O-N 3.05Å
383Y61.8Low71.7Confident73 Ų7388.9 Ų88.929%0.28645%0.454SS..  trans-58.4153.2146-73-78.1000108.6L336 V340 K381 L385L336-Y383 HydrophobicContact CD2-CD2 4.05Å; L336-Y383 HydrophobicContact CD2-CE2 3.68Å; L336-Y383 HydrophobicContact CG-CD2 4.45Å; L336-Y383 HydrophobicContact CG-CE2 3.83Å; V340-Y383 HydrophobicContact CB-CE1 4.36Å; V340-Y383 HydrophobicContact CG1-CD1 4.09Å; V340-Y383 HydrophobicContact CG1-CE1 3.85Å; V340-Y383 HydrophobicContact CG2-CD1 4.38Å; V340-Y383 HydrophobicContact CG2-CE1 4.24Å; K381-Y383 PolarHBondContact O-N 2.99Å; Y383-L385 PolarHBondContact O-N 3.06Å
384D72.3Confident72.7Confident91 Ų9192.2 Ų92.249%0.48747%0.47SS..  trans-7965.7-172.3-165.8-3.3000112.4K386 T387 I388D384-K386 PolarHBondContact O-N 3.22Å; D384-K386 VanDerWaalsContact O-N 3.12Å; D384-T387 VanDerWaalsContact CG-CB 3.43Å; D384-T387 PolarHBondContact O-N 2.89Å; D384-T387 PolarHBondContact OD1-N 3.38Å; D384-T387 VanDerWaalsContact OD1-N 3.08Å; D384-T387 PolarHBondContact OD1-OG1 2.98Å; D384-T387 VanDerWaalsContact OD2-CB 3.23Å; D384-T387 WeakPolarHBondContact OD2-CB 3.1Å; D384-T387 PolarHBondContact OD2-OG1 3.35Å; D384-I388 WeakPolarHBondContact O-CG1 3.42Å; D384-I388 PolarHBondContact O-N 3.47Å; D384-I388 VanDerWaalsContact O-N 3.08Å
385L80.5Confident73.7Confident53 Ų5388.9 Ų88.928%0.27745%0.447SS..Hα-helixtrans-50.2-35.1176.5-171.779000111.2L367 L370 Y383 I388 E389L367-L385 HydrophobicContact CD1-CD1 3.93Å; L370-L385 HydrophobicContact CB-CD1 3.62Å; L370-L385 HydrophobicContact CD1-CD1 4.17Å; Y383-L385 PolarHBondContact O-N 3.06Å; L385-I388 PolarHBondContact O-N 3.16Å; L385-E389 WeakPolarHBondContact O-CB 3.3Å; L385-E389 PolarHBondContact O-N 3.46Å
386K83.1Confident74.8Confident163 Ų16387.4 Ų87.471%0.70943%0.431SS*.Hα-helixtrans-67.8-41.4179.1-70.4-174.4175.1-176.40112.4D384 L390D384-K386 PolarHBondContact O-N 3.22Å; D384-K386 VanDerWaalsContact O-N 3.12Å; K386-L390 WeakPolarHBondContact O-CB 3.46Å; K386-L390 PolarHBondContact O-N 3.37Å
387T86.5Confident76Confident78 Ų7892.1 Ų92.148%0.47945%0.447SS..Hα-helixtrans-68.6-38.4174.5-67.70000111.6D384 R391D384-T387 VanDerWaalsContact CG-CB 3.43Å; D384-T387 PolarHBondContact O-N 2.89Å; D384-T387 PolarHBondContact OD1-N 3.38Å; D384-T387 VanDerWaalsContact OD1-N 3.08Å; D384-T387 PolarHBondContact OD1-OG1 2.98Å; D384-T387 VanDerWaalsContact OD2-CB 3.23Å; D384-T387 WeakPolarHBondContact OD2-CB 3.1Å; D384-T387 PolarHBondContact OD2-OG1 3.35Å; T387-R391 VanDerWaalsContact O-CB 3.29Å; T387-R391 WeakPolarHBondContact O-CB 3.32Å; T387-R391 PolarHBondContact O-N 2.87Å
388I88Confident77.5Confident13 Ų1391.9 Ų91.97%0.06744%0.442CS..Hα-helixtrans-64.4-47.3174-56.2-49.3000111.2Y363 W366 L367 L370 D384 L385 R391 W392Y363-I388 HydrophobicContact CD1-CD1 4.43Å; Y363-I388 HydrophobicContact CD1-CG2 4.17Å; Y363-I388 HydrophobicContact CE1-CD1 3.99Å; W366-I388 HydrophobicContact CB-CG2 4.46Å; W366-I388 HydrophobicContact CD2-CD1 3.89Å; W366-I388 HydrophobicContact CD2-CG1 4.33Å; W366-I388 HydrophobicContact CD2-CG2 4.33Å; W366-I388 HydrophobicContact CE3-CD1 3.74Å; W366-I388 HydrophobicContact CG-CG2 4.25Å; W366-I388 HydrophobicContact CH2-CD1 3.5Å; W366-I388 HydrophobicContact CZ2-CD1 3.64Å; W366-I388 HydrophobicContact CZ2-CG1 4.31Å; W366-I388 HydrophobicContact CZ3-CD1 3.57Å; L367-I388 HydrophobicContact CB-CG2 4.11Å; L367-I388 HydrophobicContact CD1-CG2 4.29Å; L370-I388 HydrophobicContact CD1-CB 4.48Å; L370-I388 HydrophobicContact CD1-CG1 4.04Å; L370-I388 HydrophobicContact CD1-CG2 4.44Å; D384-I388 WeakPolarHBondContact O-CG1 3.42Å; D384-I388 PolarHBondContact O-N 3.47Å; D384-I388 VanDerWaalsContact O-N 3.08Å; L385-I388 PolarHBondContact O-N 3.16Å; I388-R391 PolarHBondContact O-N 3.27Å; I388-W392 WeakPolarHBondContact O-CB 3.32Å; I388-W392 PolarHBondContact O-N 2.84Å
389E88.3Confident78.7Confident83 Ų8388.9 Ų88.939%0.38842%0.422SS..Hα-helixtrans-63.9-41.4178.5179.9178-153.300112.1L367 L385 N393L367-E389 HydrophobicContact CD1-CB 4.05Å; L385-E389 WeakPolarHBondContact O-CB 3.3Å; L385-E389 PolarHBondContact O-N 3.46Å; E389-N393 WeakPolarHBondContact O-CB 3.5Å; E389-N393 PolarHBondContact O-N 3.27Å; E389-N393 PolarHBondContact O-ND2 3.04Å
390L90.5Very high78.9Confident103 Ų10390.4 Ų90.454%0.53943%0.434SS..Hα-helixtrans-64-45.8175.2-175.3149.3000110.6K386 N393 E394K386-L390 WeakPolarHBondContact O-CB 3.46Å; K386-L390 PolarHBondContact O-N 3.37Å; L390-N393 WeakPolarHBondContact O-CB 3.32Å; L390-N393 PolarHBondContact O-N 2.97Å; L390-N393 VanDerWaalsContact O-N 3.12Å; L390-E394 HydrophobicContact CD2-CG 4.45Å; L390-E394 PolarHBondContact O-N 3.39Å
391R90.7Very high78.7Confident91 Ų9189.4 Ų89.434%0.34343%0.432SS..Hα-helixtrans-68.9-34.6179.7-169.752.8165.4-168.5-2.1113Y363 T387 I388 E394 L395Y363-R391 HydrophobicContact CD1-CB 3.88Å; Y363-R391 HydrophobicContact CD1-CG 3.83Å; Y363-R391 HydrophobicContact CD2-CG 3.87Å; Y363-R391 HydrophobicContact CE1-CB 3.79Å; Y363-R391 HydrophobicContact CE1-CG 3.56Å; Y363-R391 HydrophobicContact CE2-CG 3.62Å; Y363-R391 HydrophobicContact CG-CB 4.37Å; Y363-R391 HydrophobicContact CG-CG 4Å; Y363-R391 VanDerWaalsContact CZ-CG 3.47Å; T387-R391 VanDerWaalsContact O-CB 3.29Å; T387-R391 WeakPolarHBondContact O-CB 3.32Å; T387-R391 PolarHBondContact O-N 2.87Å; I388-R391 PolarHBondContact O-N 3.27Å; R391-E394 WeakPolarHBondContact CD-OE2 3.43Å; R391-E394 IonicContact CZ-OE2 3.21Å; R391-E394 IonicContact NE-OE2 2.69Å; R391-E394 IonicContact NH1-OE2 2.86Å; R391-E394 PolarHBondContact NH1-OE2 3.32Å; R391-E394 PolarHBondContact O-N 3.19Å; R391-L395 HydrophobicContact CG-CD1 4.15Å; R391-L395 WeakPolarHBondContact O-CD1 3.43Å; R391-L395 WeakPolarHBondContact O-CG 3.32Å; R391-L395 PolarHBondContact O-N 2.66Å
392W90.8Very high78.1Confident42 Ų4285 Ų8516%0.15942%0.417CS..Hα-helixtrans-61.3-44.7167.1167.6-122.1000111.5A360 H364 L367 I388 E394 L395 K396 Y399A360-W392 HydrophobicContact CB-CZ3 4.34Å; A360-W392 WeakPolarHBondContact O-CZ3 3.4Å; H364-W392 HydrophobicContact CB-CE3 3.95Å; H364-W392 HydrophobicContact CB-CH2 3.87Å; H364-W392 HydrophobicContact CB-CZ2 4.44Å; H364-W392 HydrophobicContact CB-CZ3 3.6Å; H364-W392 AromaticContact CD2-CH2 3.69Å; H364-W392 AromaticContact CD2-CZ2 3.71Å; L367-W392 HydrophobicContact CD2-CB 4.08Å; L367-W392 HydrophobicContact CD2-CG 3.85Å; I388-W392 WeakPolarHBondContact O-CB 3.32Å; I388-W392 PolarHBondContact O-N 2.84Å; W392-E394 PolarHBondContact O-N 3.2Å; W392-L395 PolarHBondContact O-N 3.45Å; W392-K396 HydrophobicContact CD2-CB 4.11Å; W392-K396 HydrophobicContact CE3-CB 4.19Å; W392-K396 HydrophobicContact CH2-CB 3.7Å; W392-K396 HydrophobicContact CZ2-CB 3.59Å; W392-K396 HydrophobicContact CZ3-CB 3.99Å; W392-K396 PolarHBondContact O-N 2.89Å; W392-Y399 AromaticContact CH2-CD1 3.96Å; W392-Y399 HydrophobicContact CH2-CD1 3.96Å; W392-Y399 HydrophobicContact CH2-CD2 4.48Å; W392-Y399 AromaticContact CH2-CG 3.82Å; W392-Y399 HydrophobicContact CH2-CG 3.82Å; W392-Y399 HydrophobicContact CZ3-CD2 4.47Å; W392-Y399 HydrophobicContact CZ3-CG 4.15Å
393N89.9Confident77.5Confident73 Ų7381.6 Ų81.639%0.3940%0.4SS..Hα-helixtrans-63.6-26.7178.8-87.3-75.3000113.9E389 L390 K396E389-N393 WeakPolarHBondContact O-CB 3.5Å; E389-N393 PolarHBondContact O-N 3.27Å; E389-N393 PolarHBondContact O-ND2 3.04Å; L390-N393 WeakPolarHBondContact O-CB 3.32Å; L390-N393 PolarHBondContact O-N 2.97Å; L390-N393 VanDerWaalsContact O-N 3.12Å; N393-K396 WeakPolarHBondContact O-CE 3.28Å; N393-K396 PolarHBondContact OD1-NZ 2.99Å
394E90.9Very high75.8Confident102 Ų10282.1 Ų82.148%0.47741%0.414SS..Hα-helixtrans-74.4-22.3170.5-67.817716300113.8L390 R391 W392L390-E394 HydrophobicContact CD2-CG 4.45Å; L390-E394 PolarHBondContact O-N 3.39Å; R391-E394 WeakPolarHBondContact CD-OE2 3.43Å; R391-E394 IonicContact CZ-OE2 3.21Å; R391-E394 IonicContact NE-OE2 2.69Å; R391-E394 IonicContact NH1-OE2 2.86Å; R391-E394 PolarHBondContact NH1-OE2 3.32Å; R391-E394 PolarHBondContact O-N 3.19Å; W392-E394 PolarHBondContact O-N 3.2Å
395L89.1Confident73.7Confident8 Ų883.4 Ų83.44%0.04243%0.428CS..Hα-helixtrans-114.1-17.6-168.6-70.7170.9000114.9K356 M359 A360 Y363 R391 W392 E397 F398K356-L395 HydrophobicContact CB-CD2 4.43Å; M359-L395 HydrophobicContact CB-CD1 3.81Å; M359-L395 HydrophobicContact CB-CD2 4.36Å; A360-L395 HydrophobicContact CB-CB 4.01Å; A360-L395 WeakPolarHBondContact CB-O 3.47Å; Y363-L395 HydrophobicContact CD2-CD1 3.6Å; Y363-L395 HydrophobicContact CE2-CD1 4.23Å; Y363-L395 HydrophobicContact CG-CD1 4.3Å; R391-L395 HydrophobicContact CG-CD1 4.15Å; R391-L395 WeakPolarHBondContact O-CD1 3.43Å; R391-L395 WeakPolarHBondContact O-CG 3.32Å; R391-L395 PolarHBondContact O-N 2.66Å; W392-L395 PolarHBondContact O-N 3.45Å; L395-E397 PolarHBondContact O-N 3.44Å; L395-F398 HydrophobicContact CD2-CD2 4.32Å; L395-F398 WeakPolarHBondContact O-CD2 3.45Å; L395-F398 PolarHBondContact O-N 3.39Å
396K87.7Confident71Confident85 Ų8585.8 Ų85.837%0.3745%0.448SS..Hα-helixtrans-52.1-28.5-174.463.4-174.1171.9-171.70115.9W392 N393 F398 Y399W392-K396 HydrophobicContact CD2-CB 4.11Å; W392-K396 HydrophobicContact CE3-CB 4.19Å; W392-K396 HydrophobicContact CH2-CB 3.7Å; W392-K396 HydrophobicContact CZ2-CB 3.59Å; W392-K396 HydrophobicContact CZ3-CB 3.99Å; W392-K396 PolarHBondContact O-N 2.89Å; N393-K396 WeakPolarHBondContact O-CE 3.28Å; N393-K396 PolarHBondContact OD1-NZ 2.99Å; K396-F398 VanDerWaalsContact C-N 3.27Å; K396-F398 PolarHBondContact O-N 3.29Å; K396-Y399 PolarHBondContact O-N 3.19Å
397E85.8Confident68.3Low152 Ų15284 Ų8471%0.7145%0.454SS*.Hα-helixtrans-66.7-28.2178.2-62.3-175.3173.400112.6L395L395-E397 PolarHBondContact O-N 3.44Å
398F84.7Confident65.5Low71 Ų7185.3 Ų85.331%0.31147%0.466SS..Hα-helixtrans-81.7-21.9178.5-57.7-77.1000113.1K356 A360 L395 K396 V400 Q401K356-F398 HydrophobicContact CB-CB 4.49Å; K356-F398 HydrophobicContact CB-CD1 4.21Å; K356-F398 HydrophobicContact CB-CD2 4.1Å; K356-F398 HydrophobicContact CB-CE2 4.46Å; K356-F398 HydrophobicContact CB-CG 3.99Å; K356-F398 HydrophobicContact CD-CD2 4.46Å; K356-F398 HydrophobicContact CD-CE1 4.17Å; K356-F398 HydrophobicContact CD-CE2 3.99Å; K356-F398 HydrophobicContact CD-CZ 3.84Å; A360-F398 HydrophobicContact CB-CB 4.22Å; L395-F398 HydrophobicContact CD2-CD2 4.32Å; L395-F398 WeakPolarHBondContact O-CD2 3.45Å; L395-F398 PolarHBondContact O-N 3.39Å; K396-F398 VanDerWaalsContact C-N 3.27Å; K396-F398 PolarHBondContact O-N 3.29Å; F398-V400 PolarHBondContact O-N 2.76Å; F398-Q401 PolarHBondContact O-N 2.92Å
399Y76.4Confident62.7Low68 Ų6890.7 Ų90.727%0.26750%0.502SS..Hα-helixtrans-64.7-36.8-177.3-172.4-112.5000112.9T361 H364 W392 K396 Q401 S402 S403T361-Y399 HydrophobicContact CG2-CE2 4.25Å; H364-Y399 HydrophobicContact CB-CD2 4.29Å; H364-Y399 HydrophobicContact CB-CE2 4.06Å; H364-Y399 AromaticContact CD2-CE1 3.93Å; H364-Y399 AromaticContact CE1-CE1 3.92Å; H364-Y399 AromaticContact CE1-CZ 3.64Å; H364-Y399 PolarHBondContact CE1-OH 3.45Å; H364-Y399 AromaticContact CG-CE2 3.96Å; H364-Y399 AromaticContact CG-CZ 3.74Å; H364-Y399 AromaticContact ND1-CE2 3.93Å; H364-Y399 AromaticContact ND1-CZ 3.48Å; H364-Y399 PolarHBondContact ND1-OH 3.26Å; H364-Y399 AromaticContact NE2-CE1 3.85Å; W392-Y399 AromaticContact CH2-CD1 3.96Å; W392-Y399 HydrophobicContact CH2-CD1 3.96Å; W392-Y399 HydrophobicContact CH2-CD2 4.48Å; W392-Y399 AromaticContact CH2-CG 3.82Å; W392-Y399 HydrophobicContact CH2-CG 3.82Å; W392-Y399 HydrophobicContact CZ3-CD2 4.47Å; W392-Y399 HydrophobicContact CZ3-CG 4.15Å; K396-Y399 PolarHBondContact O-N 3.19Å; Y399-Q401 VanDerWaalsContact C-N 3.34Å; Y399-Q401 PolarHBondContact O-N 3.44Å; Y399-S402 PolarHBondContact O-OG 3.34Å; Y399-S403 PolarHBondContact O-OG 3.36Å
400V57.9Low59.6Low101 Ų10192.9 Ų92.961%0.61252%0.521SS*.G310 helixtrans-71.5-28.5-175.3-176.60000112.3F398 S402 S403F398-V400 PolarHBondContact O-N 2.76Å; V400-S402 VanDerWaalsContact C-N 3.35Å; V400-S402 PolarHBondContact O-N 3.49Å; V400-S403 PolarHBondContact O-OG 2.77Å
401Q48.6Very low56.6Low155 Ų15595.6 Ų95.672%0.72454%0.536SS*.G310 helixtrans-76.8-17.4-175.4-64.2-174-5.600113.8F398 Y399F398-Q401 PolarHBondContact O-N 2.92Å; Y399-Q401 VanDerWaalsContact C-N 3.34Å; Y399-Q401 PolarHBondContact O-N 3.44Å
402S44.4Very low53.5Low39 Ų3998.9 Ų98.927%0.27356%0.555SS.*G310 helixtrans-94.71179.570.60000113.8Y399 V400 K630Y399-S402 PolarHBondContact O-OG 3.34Å; V400-S402 VanDerWaalsContact C-N 3.35Å; V400-S402 PolarHBondContact O-N 3.49Å; S402-K630 PolarHBondContact O-NZ 3.07Å
403S39.5Very low50.5Low69 Ų69104 Ų10448%0.48359%0.586SS.*SBendtrans-113.6-3.1-171.945.70000115.7Y399 V400Y399-S403 PolarHBondContact O-OG 3.36Å; V400-S403 PolarHBondContact O-OG 2.77Å
404S25.7Very low47.6Very low84 Ų84109.6 Ų109.659%0.58761%0.61SS**SBendtrans-97.3130.1175.653.20000112.2
405P28.7Very low44.5Very low119 Ų119113.3 Ų113.377%0.77363%0.627SS**PPolyproline II helixtrans-61.3138.6166.9-20.132.5000111.2
406S24.4Very low41.6Very low102 Ų102122 Ų12271%0.71367%0.668SS**PPolyproline II helixtrans-72.9130170.553.10000110.2S408S406-S408 PolarHBondContact O-N 3.19Å
407P26.5Very low38.8Very low126 Ų126123.4 Ų123.482%0.81869%0.688SS**PPolyproline II helixtrans-68.1121.1174.628.1-33.2000110.2
408S27.3Very low36Very low106 Ų106124.7 Ų124.774%0.74169%0.694SS**PPolyproline II helixtrans-67.9151.8162.933.90000110S406S406-S408 PolarHBondContact O-N 3.19Å
409P29.2Very low33.5Very low126 Ų126130.4 Ų130.482%0.81872%0.721SS**PPolyproline II helixtrans-71.2142.7-171.6-17.532.1000112.5N411P409-N411 PolarHBondContact O-N 2.81Å
410T22.8Very low31.1Very low129 Ų129135.2 Ų135.279%0.79175%0.752SS**PPolyproline II helixtrans-57.3126.2159.646.50000109.8
411N27.8Very low29.9Very low160 Ų160139.9 Ų139.986%0.85677%0.767SS**  trans-120.4119.1155.9-14143.1000106P409P409-N411 PolarHBondContact O-N 2.81Å
412E25.3Very low28.9Very low160 Ų160140.2 Ų140.275%0.74877%0.774SS**  trans-78.7162.3178.7-62.6162155.200109.4
413N26.9Very low28.3Very low149 Ų149146 Ų14680%0.79780%0.802SS**  trans66.9134.3-168.9-29.9-82.9000111.7
414E29.4Very low27.7Very low191 Ų191145.3 Ų145.389%0.89381%0.805SS**  cis-129.5152.324.4-70.7160158.200112.2
415E25.6Very low28Very low179 Ų179149.1 Ų149.184%0.83682%0.817SS**  trans-97.5172.5173.8-62.1172.6120.300109.9
416E28.6Very low27.9Very low192 Ų192150.2 Ų150.290%0.89782%0.816SS**  trans70141.5171.8-54.6177.4172.900115.5
417S30Very low28.1Very low113 Ų113153.9 Ų153.979%0.7982%0.82SS**  cis-148.2173.1-10.264.10000110.8
418E26.2Very low28.1Very low180 Ų180156 Ų15684%0.84182%0.819SS**  trans-68.6154.4161.5-58.3170.8142.900110.5
419E31.3Very low28.1Very low191 Ų191156.5 Ų156.589%0.89383%0.829SS**  trans-176.7138.9133.6-103.4169.8-166.300110.6
420D27Very low28Very low168 Ų168154.3 Ų154.390%0.89882%0.817SS**  trans-89.3124.5174.4-67.5-66.1000110.5
421E32.2Very low28.1Very low199 Ų199153.6 Ų153.693%0.9382%0.817SS**  trans-126109.1160.1-75.2-158.6140.500111.2
422D27.1Very low28.2Very low163 Ų163153.8 Ų153.887%0.87282%0.816SS**  trans-87.3109.1165.1174.336.8000109.2
423D32.3Very low28.2Very low161 Ų161149.1 Ų149.186%0.86181%0.811SS**  trans-153.8142.5154.3-137.6-23000111.2
424G27.9Very low28.1Very low53 Ų53149.2 Ų149.255%0.54682%0.822SS.*  trans-96.7169.1-172.100000114
425I30.5Very low28Very low165 Ų165142.9 Ų142.985%0.84681%0.808SS**  trans-169.1133.4144.5-102.4149.9000111.1K427I425-K427 PolarHBondContact O-N 3.19Å
426D26.6Very low28Very low142 Ų142141.3 Ų141.376%0.75981%0.805SS**  trans-64.3122.6165.5-75.3-62.9000110.9
427K28.7Very low27.9Very low179 Ų179140.4 Ų140.478%0.77881%0.805SS**  trans158.3118.8133.8-85.4157.6-135.288.80111.4I425I425-K427 PolarHBondContact O-N 3.19Å
428E28Very low27.8Very low171 Ų171142.7 Ų142.780%0.79980%0.803SS**  172.480.4121.1-93.9-179.1-172.500111.2S430E428-S430 PolarHBondContact O-N 3.24Å
429A26Very low27.8Very low115 Ų115139.7 Ų139.795%0.9579%0.789SS**  trans-80.149.6176.900000112.9
430S27Very low27.4Very low81 Ų81140.5 Ų140.557%0.56679%0.793SS**SBendtrans-161131.5173.556.20000113.5E428E428-S430 PolarHBondContact O-N 3.24Å
431S26.7Very low27.3Very low113 Ų113142.5 Ų142.579%0.7979%0.787SS**  trans58.971.5164.362.20000119.5
432I28.5Very low27Very low164 Ų164142.8 Ų142.884%0.84179%0.786SS**  -125.3138.4128.9-70.894.6000105.1
433G26.5Very low26.9Very low63 Ų63143.2 Ų143.265%0.64978%0.775SS**  cis128.4116.112.300000107.2G435G433-G435 PolarHBondContact O-N 2.68Å
434C24.1Very low26.7Very low151 Ų151146 Ų146100%1.0278%0.78SS**  trans-73.9112.9-173.2-1630000110
435G26.6Very low26.5Very low58 Ų58147.9 Ų147.960%0.59879%0.785SS**  trans-161.4113.5-179.600000112.2G433G433-G435 PolarHBondContact O-N 2.68Å
436D26.1Very low26.3Very low145 Ų145148.9 Ų148.978%0.77578%0.784SS**  trans34.581.7149.9-55.1-32.9000119.5
437I26.4Very low26.3Very low174 Ų174147.6 Ų147.689%0.89278%0.781SS**  trans-95.4111.4136.4-64.7179.5000106.4
438Q27.8Very low26.2Very low160 Ų160146.1 Ų146.175%0.74878%0.776SS**  trans-78.2155.9-176.1-69.7-157.712.400113.5E440Q438-E440 PolarHBondContact O-N 2.92Å
439Q25.8Very low26.3Very low118 Ų118143.5 Ų143.555%0.55177%0.774SS**  trans-50.2109.2-177.6-61.81632.700114.7R441 R443Q439-R441 HydrophobicContact CB-CB 4.31Å; Q439-R441 HydrophobicContact CG-CB 4.48Å; Q439-R443 VanDerWaalsContact OE1-CZ 3.28Å
440E23Very low26.2Very low208 Ų208145.4 Ų145.497%0.97276%0.764SS**  -94.879.1125.5-74.8-134.6136.300108.3Q438Q438-E440 PolarHBondContact O-N 2.92Å
441R25.4Very low26.1Very low209 Ų209149.9 Ų149.979%0.78978%0.779SS**SBendtrans-133.9122172.9-144.2-176.7-163.1-162.53.9107Q439 R443Q439-R441 HydrophobicContact CB-CB 4.31Å; Q439-R441 HydrophobicContact CG-CB 4.48Å; R441-R443 PolarHBondContact O-N 3.02Å; R441-R443 VanDerWaalsContact O-N 3.08Å
442F25.3Very low26Very low206 Ų206149.9 Ų149.990%0.90477%0.774SS**  trans-58.3118.6165.6-94.5-92.4000107.8
443R25.1Very low25.8Very low171 Ų171150.8 Ų150.865%0.64578%0.775SS**  trans-67151.9179.1-64-179.3175168.50.1108.4Q439 R441Q439-R443 VanDerWaalsContact OE1-CZ 3.28Å; R441-R443 PolarHBondContact O-N 3.02Å; R441-R443 VanDerWaalsContact O-N 3.08Å
444F28.2Very low25.7Very low220 Ų220153.1 Ų153.197%0.96578%0.777SS**  -126.5167.566.9-80.9-89.5000115.5
445S24.8Very low25.6Very low93 Ų93153.3 Ų153.365%0.6576%0.762SS**  trans-140.1145.4-170580000111.3
446F26.3Very low25.6Very low186 Ų186161.7 Ų161.782%0.81678%0.776SS**  -164.4114.3127.2-149.1-111.8000115.2
447V26.9Very low25.6Very low114 Ų114160 Ų16069%0.69178%0.775SS**  trans34.6126.8138.3-173.70000121.6
448E26.2Very low25.7Very low148 Ų148159.4 Ų159.469%0.69277%0.774SS**  trans-80.3169170.2-145-167.3-98.600112.7Q450E448-Q450 PolarHBondContact OE2-N 2.93Å
449P29.1Very low25.6Very low116 Ų116162.5 Ų162.575%0.75378%0.779SS**  -154.4149.387.138.9-19.4000118.4
450Q25.2Very low25.9Very low156 Ų156166.8 Ų166.873%0.72980%0.796SS**  trans17.9138.6140.9-53.9-177.48.600122.6E448E448-Q450 PolarHBondContact OE2-N 2.93Å
451I25.2Very low26.1Very low175 Ų175166.5 Ų166.590%0.89779%0.791SS**  trans-145152.6135.7-104.7160.7000109.5
452V23Very low26.3Very low113 Ų113161.3 Ų161.369%0.68579%0.793SS**  trans-112.2142.2-175.51750000110.5V454V452-V454 HydrophobicContact CG1-CG2 4.49Å
453E24.5Very low26.6Very low182 Ų182157.5 Ų157.585%0.8579%0.786SS**  trans175.7117.2137.9-96.1174.5-16800109.1
454V24.3Very low27.1Very low113 Ų113159.2 Ų159.269%0.68580%0.799SS**  85.3113.771.6167.80000113.5V452V452-V454 HydrophobicContact CG1-CG2 4.49Å
455E23.7Very low28.2Very low155 Ų155151.6 Ų151.672%0.72477%0.77SS**  trans39.6125156.3-61.9-175.317700121
456R25.1Very low29.1Very low234 Ų234151.6 Ų151.688%0.88377%0.77SS**  -162.7150.993-101.6145.9-160.2169.39.7114.1
457S25.7Very low30.9Very low108 Ų108147.4 Ų147.476%0.75576%0.756SS**  trans-77.7149.1174.657.20000111.3
458D30.1Very low32.9Very low163 Ų163152.1 Ų152.187%0.87276%0.761SS**  trans-143.3145.9148.4-143.2-22.3000112.7
459R24.9Very low35.6Very low224 Ų224149.5 Ų149.585%0.84575%0.747SS**  trans-103.8113.9-165.3-71.5170.4167167.4-4.6111.7
460K31.3Very low38.1Very low208 Ų208147.2 Ų147.290%0.90473%0.729SS**  trans-118.7115158.8-70.3-176.6-178.5172.70110.5A462K460-A462 PolarHBondContact O-N 3.11Å; K460-A462 VanDerWaalsContact O-N 3.14Å
461K27.5Very low40.8Very low203 Ų203144.6 Ų144.688%0.88373%0.734SS**  trans-72.499.9-172.2-65.4173179.51740111T463K461-T463 PolarHBondContact O-N 3.48Å
462A29.3Very low43.4Very low99 Ų99140.3 Ų140.382%0.81872%0.716SS**  trans-75.4117.516100000109.3K460 K464K460-A462 PolarHBondContact O-N 3.11Å; K460-A462 VanDerWaalsContact O-N 3.14Å; A462-K464 PolarHBondContact O-N 3.28Å
463T31.5Very low46.3Very low126 Ų126135 Ų13577%0.77368%0.684SS**  trans-70.8113.6177.3410000110.5K461 V465K461-T463 PolarHBondContact O-N 3.48Å; T463-V465 PolarHBondContact O-N 2.79Å
464K37.2Very low49.4Very low207 Ų207127.2 Ų127.290%0.965%0.647SS**  trans-65.594.4179.4-171.4173.6-175.5173.80110.8A462 S466A462-K464 PolarHBondContact O-N 3.28Å; K464-S466 PolarHBondContact O-N 2.69Å
465V50.5Low52.6Low61 Ų61122 Ų12237%0.3762%0.616SS.*  trans-57.5122.6174.8-179.80000108.8T463 L467T463-V465 PolarHBondContact O-N 2.79Å; V465-L467 PolarHBondContact O-N 2.86Å
466S44Very low55.7Low93 Ų93120.7 Ų120.765%0.6560%0.604SS**  trans-82.2106.2-175.251.40000111K464 R468K464-S466 PolarHBondContact O-N 2.69Å; S466-R468 PolarHBondContact O-N 3.36Å
467L64.5Low58.9Low97 Ų97109.5 Ų109.551%0.50856%0.562SS.*  trans-71.569.6179.2-72.3165.8000112.1V465 K469 P498V465-L467 PolarHBondContact O-N 2.86Å; L467-K469 PolarHBondContact O-N 2.84Å; L467-P498 HydrophobicContact CD1-CG 4.04Å; L467-P498 HydrophobicContact CD2-CG 3.61Å; L467-P498 HydrophobicContact CG-CG 4.41Å
468R68.5Low62.2Low214 Ų214104.4 Ų104.481%0.80853%0.526SS*.  trans-71.4106.8168.8-73.2-171.8171.9-167.6-2.6109.7S466S466-R468 PolarHBondContact O-N 3.36Å
469K82.5Confident65.2Low92 Ų92101.8 Ų101.840%0.450%0.504SS..  trans-79.2162.1160.9-68.1-177147-156.70110.4L467 G473 E474 V502 D503L467-K469 PolarHBondContact O-N 2.84Å; K469-G473 WeakPolarHBondContact CD-O 3.3Å; K469-G473 WeakPolarHBondContact CE-O 3.41Å; K469-G473 WeakPolarHBondContact CG-O 3.48Å; K469-E474 CarbonylContact C-O 3.48Å; K469-E474 VanDerWaalsContact CA-O 3.29Å; K469-E474 WeakPolarHBondContact CA-O 3.34Å; K469-V502 WeakPolarHBondContact CE-O 3.46Å; K469-V502 PolarHBondContact NZ-O 3.29Å; K469-D503 PolarHBondContact NZ-O 3.48Å
470N82.5Confident68.5Low69 Ų6991.2 Ų91.237%0.36947%0.465SS..  trans-94.8-169.1166.277.8-0.8000111.9V472 G473 E474N470-V472 VanDerWaalsContact C-N 3.25Å; N470-V472 PolarHBondContact O-N 3.08Å; N470-V472 PolarHBondContact OD1-N 3.41Å; N470-G473 PolarHBondContact O-N 3.2Å; N470-G473 PolarHBondContact OD1-N 3.37Å; N470-E474 PolarHBondContact N-O 2.89Å; N470-E474 PolarHBondContact ND2-OE2 3.22Å; N470-E474 WeakPolarHBondContact OD1-CB 3.3Å; N470-E474 PolarHBondContact OD1-N 3.12Å
471A82Confident71.5Confident100 Ų10081.3 Ų81.383%0.82642%0.422SS*.THydrogen-bonded Turntrans-62-25.6-177.900000114.8N504A471-N504 PolarHBondContact O-ND2 3.36Å
472V78.5Confident74.7Confident86 Ų8672.7 Ų72.752%0.52139%0.385SS..THydrogen-bonded Turntrans-975.3177.7-157.40000111.2N470 E474 N504N470-V472 VanDerWaalsContact C-N 3.25Å; N470-V472 PolarHBondContact O-N 3.08Å; N470-V472 PolarHBondContact OD1-N 3.41Å; V472-E474 VanDerWaalsContact C-N 3.32Å; V472-E474 HydrophobicContact CB-CG 4.47Å; V472-E474 PolarHBondContact O-N 2.97Å; V472-N504 VanDerWaalsContact C-CG 3.46Å; V472-N504 VanDerWaalsContact C-ND2 3.33Å; V472-N504 VanDerWaalsContact O-CB 3.28Å; V472-N504 WeakPolarHBondContact O-CB 3.32Å; V472-N504 VanDerWaalsContact O-CG 3.31Å; V472-N504 PolarHBondContact O-N 2.72Å; V472-N504 VanDerWaalsContact O-N 3.14Å
473G84.5Confident77.7Confident1 Ų171.8 Ų71.81%0.0136%0.364CS..  trans85.8-3.9-179.300000114.8K469 N470 S475 N504K469-G473 WeakPolarHBondContact CD-O 3.3Å; K469-G473 WeakPolarHBondContact CE-O 3.41Å; K469-G473 WeakPolarHBondContact CG-O 3.48Å; N470-G473 PolarHBondContact O-N 3.2Å; N470-G473 PolarHBondContact OD1-N 3.37Å; G473-S475 PolarHBondContact O-N 3.49Å; G473-N504 WeakPolarHBondContact CA-OD1 3.45Å; G473-N504 PolarHBondContact N-ND2 2.76Å
474E89.1Confident80.6Confident18 Ų1869.4 Ų69.48%0.08435%0.346CS..  trans-62.5131.5-178.1-59.9172.698.800111.3K469 N470 V472 H478 R479 I482K469-E474 CarbonylContact C-O 3.48Å; K469-E474 VanDerWaalsContact CA-O 3.29Å; K469-E474 WeakPolarHBondContact CA-O 3.34Å; N470-E474 PolarHBondContact N-O 2.89Å; N470-E474 PolarHBondContact ND2-OE2 3.22Å; N470-E474 WeakPolarHBondContact OD1-CB 3.3Å; N470-E474 PolarHBondContact OD1-N 3.12Å; V472-E474 VanDerWaalsContact C-N 3.32Å; V472-E474 HydrophobicContact CB-CG 4.47Å; V472-E474 PolarHBondContact O-N 2.97Å; E474-H478 HydrophobicContact CB-CB 3.97Å; E474-H478 HydrophobicContact CG-CB 4.44Å; E474-R479 HydrophobicContact CB-CG 4.45Å; E474-R479 VanDerWaalsContact CD-CD 3.43Å; E474-R479 WeakPolarHBondContact OE1-CD 3.43Å; E474-R479 IonicContact OE1-CZ 3.36Å; E474-R479 IonicContact OE1-NE 2.65Å; E474-R479 IonicContact OE1-NH1 3.4Å; E474-R479 PolarHBondContact OE1-NH1 3.28Å; E474-R479 WeakPolarHBondContact OE2-CD 3.48Å; E474-R479 IonicContact OE2-CZ 3.41Å; E474-R479 IonicContact OE2-NE 2.7Å; E474-R479 IonicContact OE2-NH1 3.35Å; E474-R479 PolarHBondContact OE2-NH1 2.82Å; E474-I482 WeakPolarHBondContact OE1-CD1 3.46Å
475S91.2Very high83.3Confident4 Ų466.3 Ų66.33%0.02833%0.329CS..  trans-85.3172.1171.578.50000112.3G473 L477 H478 R479 V501G473-S475 PolarHBondContact O-N 3.49Å; S475-L477 PolarHBondContact O-N 2.79Å; S475-L477 PolarHBondContact OG-N 2.84Å; S475-H478 PolarHBondContact N-ND1 3.1Å; S475-H478 VanDerWaalsContact N-ND1 3.13Å; S475-H478 PolarHBondContact O-N 3.09Å; S475-H478 PolarHBondContact OG-N 3.37Å; S475-H478 PolarHBondContact OG-ND1 3.28Å; S475-R479 PolarHBondContact O-N 2.63Å; S475-R479 VanDerWaalsContact O-N 3.14Å; S475-V501 WeakPolarHBondContact OG-CG1 3.49Å
476R89.5Confident85.3Confident127 Ų12766.3 Ų66.348%0.47933%0.326SS..Hα-helixtrans-55.2-32.6170.6-73.7178.770.4-148-2.1112.1A480 L492 E495R476-A480 WeakPolarHBondContact O-CB 3.37Å; R476-A480 PolarHBondContact O-N 3.46Å; R476-L492 HydrophobicContact CB-CD1 4.03Å; R476-L492 HydrophobicContact CB-CD2 4.02Å; R476-L492 VanDerWaalsContact CZ-CD2 3.48Å; R476-L492 WeakPolarHBondContact O-CD1 3.34Å; R476-E495 IonicContact CZ-OE2 3.78Å; R476-E495 IonicContact NH1-OE2 3.47Å; R476-E495 PolarHBondContact NH1-OE2 2.91Å; R476-E495 IonicContact NH2-OE2 3.7Å
477L92.9Very high87.6Confident0 Ų070.3 Ų70.30%033%0.332CS..Hα-helixtrans-75.2-38.5179.5-168.259.4000112.3S475 A480 A481 V489 L492 L493 I499 P509 L525S475-L477 PolarHBondContact O-N 2.79Å; S475-L477 PolarHBondContact OG-N 2.84Å; L477-A480 PolarHBondContact O-N 3.27Å; L477-A481 PolarHBondContact O-N 2.77Å; L477-V489 HydrophobicContact CD1-CG1 4.16Å; L477-V489 HydrophobicContact CD1-CG2 4.5Å; L477-L492 HydrophobicContact CB-CD1 4.28Å; L477-L492 HydrophobicContact CD1-CB 4.06Å; L477-L492 HydrophobicContact CD1-CD1 4.02Å; L477-L493 HydrophobicContact CD2-CD2 4.28Å; L477-I499 HydrophobicContact CD2-CG1 4.37Å; L477-P509 HydrophobicContact CB-CG 4.04Å; L477-P509 HydrophobicContact CD2-CB 4.3Å; L477-P509 HydrophobicContact CD2-CG 4.03Å; L477-P509 HydrophobicContact CG-CB 3.9Å; L477-P509 HydrophobicContact CG-CG 3.83Å; L477-L525 HydrophobicContact CD1-CD2 4.46Å; L477-L525 HydrophobicContact CD2-CD2 4.39Å
478H94.3Very high88.9Confident0 Ų068 Ų680%032%0.322CS..Hα-helixtrans-57.3-53.1170.5-69.682.9000110.7E474 S475 A480 A481 I482 V501 D503 W507E474-H478 HydrophobicContact CB-CB 3.97Å; E474-H478 HydrophobicContact CG-CB 4.44Å; S475-H478 PolarHBondContact N-ND1 3.1Å; S475-H478 VanDerWaalsContact N-ND1 3.13Å; S475-H478 PolarHBondContact O-N 3.09Å; S475-H478 PolarHBondContact OG-N 3.37Å; S475-H478 PolarHBondContact OG-ND1 3.28Å; H478-A480 PolarHBondContact O-N 3.38Å; H478-A481 PolarHBondContact O-N 2.83Å; H478-I482 HydrophobicContact CB-CD1 4.4Å; H478-I482 WeakPolarHBondContact O-CD1 3.31Å; H478-I482 VanDerWaalsContact O-CG1 3.24Å; H478-I482 WeakPolarHBondContact O-CG1 3.46Å; H478-I482 PolarHBondContact O-N 2.8Å; H478-V501 PolarHBondContact CE1-O 3.5Å; H478-V501 PolarHBondContact NE2-O 2.74Å; H478-D503 PolarHBondContact NE2-N 3.44Å; H478-W507 PolarHBondContact NE2-O 2.91Å
479R93.8Very high90.1Very high109 Ų10957.8 Ų57.841%0.41128%0.283SS..Hα-helixtrans-60.1-32.7177.8-59.3-55.5-65.6-169.63.1112.2E474 S475 H483E474-R479 HydrophobicContact CB-CG 4.45Å; E474-R479 VanDerWaalsContact CD-CD 3.43Å; E474-R479 WeakPolarHBondContact OE1-CD 3.43Å; E474-R479 IonicContact OE1-CZ 3.36Å; E474-R479 IonicContact OE1-NE 2.65Å; E474-R479 IonicContact OE1-NH1 3.4Å; E474-R479 PolarHBondContact OE1-NH1 3.28Å; E474-R479 WeakPolarHBondContact OE2-CD 3.48Å; E474-R479 IonicContact OE2-CZ 3.41Å; E474-R479 IonicContact OE2-NE 2.7Å; E474-R479 IonicContact OE2-NH1 3.35Å; E474-R479 PolarHBondContact OE2-NH1 2.82Å; S475-R479 PolarHBondContact O-N 2.63Å; S475-R479 VanDerWaalsContact O-N 3.14Å; R479-H483 VanDerWaalsContact CZ-CE1 3.43Å; R479-H483 PolarHBondContact NE-CE1 3Å; R479-H483 PolarHBondContact NH2-CE1 2.94Å; R479-H483 PolarHBondContact NH2-NE2 2.74Å; R479-H483 VanDerWaalsContact NH2-NE2 3.18Å; R479-H483 PolarHBondContact O-N 2.72Å; R479-H483 PolarHBondContact O-ND1 2.79Å
480A93.9Very high90.6Very high2 Ų256.2 Ų56.22%0.01728%0.279CS..Hα-helixtrans-69.8-38.6175.400000112.5R476 L477 H478 R485 T488 V489 L492R476-A480 WeakPolarHBondContact O-CB 3.37Å; R476-A480 PolarHBondContact O-N 3.46Å; L477-A480 PolarHBondContact O-N 3.27Å; H478-A480 PolarHBondContact O-N 3.38Å; A480-R485 HydrophobicContact CB-CB 4.49Å; A480-R485 PolarHBondContact O-N 3.26Å; A480-T488 HydrophobicContact CB-CG2 3.97Å; A480-V489 HydrophobicContact CB-CG2 3.72Å; A480-L492 HydrophobicContact CB-CD1 3.92Å
481A94.1Very high91Very high0 Ų059.4 Ų59.40%029%0.286CS..Hα-helixtrans-67-55.4175.100000112.2L477 H478 H483 N484 P509 A513 H518 V521L477-A481 PolarHBondContact O-N 2.77Å; H478-A481 PolarHBondContact O-N 2.83Å; A481-H483 PolarHBondContact O-N 3.44Å; A481-N484 PolarHBondContact O-N 2.95Å; A481-P509 HydrophobicContact CB-CB 4.22Å; A481-P509 VanDerWaalsContact CB-O 3.32Å; A481-P509 WeakPolarHBondContact CB-O 3.32Å; A481-A513 HydrophobicContact CB-CB 4.25Å; A481-H518 PolarHBondContact O-CD2 3.01Å; A481-V521 HydrophobicContact CB-CG1 4.19Å
482I93.8Very high91.4Very high22 Ų2254.7 Ų54.711%0.11325%0.247CC..Hα-helixtrans-48.4-41.6-179.2-68.6163.9000112.6E474 H478 E512 H518E474-I482 WeakPolarHBondContact OE1-CD1 3.46Å; H478-I482 HydrophobicContact CB-CD1 4.4Å; H478-I482 WeakPolarHBondContact O-CD1 3.31Å; H478-I482 VanDerWaalsContact O-CG1 3.24Å; H478-I482 WeakPolarHBondContact O-CG1 3.46Å; H478-I482 PolarHBondContact O-N 2.8Å; I482-E512 HydrophobicContact CD1-CG 4.18Å; I482-E512 WeakPolarHBondContact CD1-OE1 3.37Å; I482-E512 HydrophobicContact CG1-CB 3.92Å; I482-E512 VanDerWaalsContact CG1-CD 3.44Å; I482-E512 HydrophobicContact CG1-CG 3.93Å; I482-E512 WeakPolarHBondContact CG1-OE2 3.47Å; I482-H518 PolarHBondContact O-NE2 3.33Å; I482-H518 VanDerWaalsContact O-NE2 3.09Å
483H93.2Very high91.8Very high80 Ų8051.6 Ų51.637%0.3723%0.227SC..THydrogen-bonded Turntrans-10019.4-173.7-52.764.4000112.6R479 A481 R485R479-H483 VanDerWaalsContact CZ-CE1 3.43Å; R479-H483 PolarHBondContact NE-CE1 3Å; R479-H483 PolarHBondContact NH2-CE1 2.94Å; R479-H483 PolarHBondContact NH2-NE2 2.74Å; R479-H483 VanDerWaalsContact NH2-NE2 3.18Å; R479-H483 PolarHBondContact O-N 2.72Å; R479-H483 PolarHBondContact O-ND1 2.79Å; A481-H483 PolarHBondContact O-N 3.44Å; H483-R485 VanDerWaalsContact C-N 3.28Å; H483-R485 HydrophobicContact CB-CG 3.96Å; H483-R485 VanDerWaalsContact O-CG 3.32Å; H483-R485 WeakPolarHBondContact O-CG 3.48Å; H483-R485 PolarHBondContact O-N 3.37Å
484N92.9Very high92Very high75 Ų7558.5 Ų58.540%0.40126%0.259SS..THydrogen-bonded Turntrans47.543-179.9-158.2-19.4000114.1A481 L486 H518 V521A481-N484 PolarHBondContact O-N 2.95Å; N484-L486 VanDerWaalsContact C-N 3.34Å; N484-L486 PolarHBondContact O-N 3.18Å; N484-L486 VanDerWaalsContact O-N 3.13Å; N484-H518 PolarHBondContact ND2-ND1 2.88Å; N484-V521 WeakPolarHBondContact OD1-CG2 3.26Å
485R93.4Very high91.9Very high142 Ų14261.3 Ų61.354%0.53627%0.273SS..  trans-91.164.2-174.2-62.1-172.1177.3-173.70.1111.5A480 H483 K487 T488 V489A480-R485 HydrophobicContact CB-CB 4.49Å; A480-R485 PolarHBondContact O-N 3.26Å; H483-R485 VanDerWaalsContact C-N 3.28Å; H483-R485 HydrophobicContact CB-CG 3.96Å; H483-R485 VanDerWaalsContact O-CG 3.32Å; H483-R485 WeakPolarHBondContact O-CG 3.48Å; H483-R485 PolarHBondContact O-N 3.37Å; R485-K487 VanDerWaalsContact C-N 3.3Å; R485-K487 PolarHBondContact O-N 3.37Å; R485-K487 VanDerWaalsContact O-N 3.14Å; R485-T488 CarbonylContact O-C 3.58Å; R485-T488 WeakPolarHBondContact O-CA 3.16Å; R485-T488 WeakPolarHBondContact O-CB 3.23Å; R485-T488 PolarHBondContact O-N 3.48Å; R485-V489 PolarHBondContact O-N 2.9Å
486L92.4Very high91.5Very high61 Ų6169.8 Ų69.832%0.31931%0.309SS..Hα-helixtrans-45.4-47.7-177-166.467.2000114N484 T488 V489 L490 A520 V521 V524N484-L486 VanDerWaalsContact C-N 3.34Å; N484-L486 PolarHBondContact O-N 3.18Å; N484-L486 VanDerWaalsContact O-N 3.13Å; L486-T488 PolarHBondContact O-N 2.98Å; L486-V489 PolarHBondContact O-N 3.44Å; L486-L490 HydrophobicContact CG-CD1 4.44Å; L486-L490 WeakPolarHBondContact O-CG 3.43Å; L486-L490 PolarHBondContact O-N 2.82Å; L486-A520 HydrophobicContact CD1-CB 4.47Å; L486-A520 VanDerWaalsContact CD1-O 3.31Å; L486-A520 WeakPolarHBondContact CD1-O 3.41Å; L486-V521 HydrophobicContact CD1-CG2 4.06Å; L486-V524 HydrophobicContact CD1-CB 4.12Å; L486-V524 HydrophobicContact CD1-CG2 3.7Å
487K92.5Very high91.2Very high177 Ų17764.3 Ų64.377%0.7729%0.288SS*.Hα-helixtrans-67.5-13.8177.1-64-175.2-179.3179.70114.9R485R485-K487 VanDerWaalsContact C-N 3.3Å; R485-K487 PolarHBondContact O-N 3.37Å; R485-K487 VanDerWaalsContact O-N 3.14Å
488T92.2Very high90.9Very high48 Ų4867 Ų6729%0.29431%0.306SS..Hα-helixtrans-95.7-37.4171.6-55.90000111A480 R485 L486 R491 L492A480-T488 HydrophobicContact CB-CG2 3.97Å; R485-T488 CarbonylContact O-C 3.58Å; R485-T488 WeakPolarHBondContact O-CA 3.16Å; R485-T488 WeakPolarHBondContact O-CB 3.23Å; R485-T488 PolarHBondContact O-N 3.48Å; L486-T488 PolarHBondContact O-N 2.98Å; T488-R491 PolarHBondContact O-N 3.22Å; T488-L492 HydrophobicContact CG2-CD1 4.01Å; T488-L492 HydrophobicContact CG2-CG 4.36Å; T488-L492 WeakPolarHBondContact O-CB 3.3Å; T488-L492 VanDerWaalsContact O-CG 3.24Å; T488-L492 WeakPolarHBondContact O-CG 3.11Å; T488-L492 PolarHBondContact O-N 3.07Å
489V92.9Very high90.7Very high0 Ų068.2 Ų68.20%031%0.312CS..Hα-helixtrans-56.8-56.1172.2174.70000110L477 A480 R485 L486 R491 L492 L493 V521 V524 L525L477-V489 HydrophobicContact CD1-CG1 4.16Å; L477-V489 HydrophobicContact CD1-CG2 4.5Å; A480-V489 HydrophobicContact CB-CG2 3.72Å; R485-V489 PolarHBondContact O-N 2.9Å; L486-V489 PolarHBondContact O-N 3.44Å; V489-R491 VanDerWaalsContact C-N 3.34Å; V489-R491 PolarHBondContact O-N 3.27Å; V489-L492 PolarHBondContact O-N 3.17Å; V489-L492 VanDerWaalsContact O-N 3.07Å; V489-L493 HydrophobicContact CG1-CD1 3.75Å; V489-L493 WeakPolarHBondContact O-CG 3.3Å; V489-L493 PolarHBondContact O-N 2.89Å; V489-V521 HydrophobicContact CG1-CG1 4.47Å; V489-V521 HydrophobicContact CG2-CG1 4.03Å; V489-V521 HydrophobicContact CG2-CG2 4.36Å; V489-V524 HydrophobicContact CG1-CG1 3.85Å; V489-L525 HydrophobicContact CG1-CD2 4.13Å; V489-L525 HydrophobicContact CG1-CG 4.44Å
490L93Very high90.6Very high59 Ų5964.8 Ų64.831%0.30930%0.302SS..Hα-helixtrans-51.7-49.9177.4-71.8166.2000112.2L486 L492 L493 E494 V524L486-L490 HydrophobicContact CG-CD1 4.44Å; L486-L490 WeakPolarHBondContact O-CG 3.43Å; L486-L490 PolarHBondContact O-N 2.82Å; L490-L492 VanDerWaalsContact C-N 3.35Å; L490-L492 PolarHBondContact O-N 3.3Å; L490-L493 PolarHBondContact O-N 2.87Å; L490-L493 VanDerWaalsContact O-N 3.13Å; L490-E494 WeakPolarHBondContact O-CG 3.46Å; L490-E494 PolarHBondContact O-N 3.41Å; L490-V524 HydrophobicContact CD2-CG1 3.61Å; L490-V524 HydrophobicContact CD2-CG2 4.16Å; L490-V524 HydrophobicContact CG-CG1 4.11Å
491R90.7Very high90.4Very high136 Ų13665.8 Ų65.851%0.51331%0.308SS..Hα-helixtrans-63.2-36.9179.2-164.5-166.1-52175.33.6113.3T488 V489 L493 E494 E495T488-R491 PolarHBondContact O-N 3.22Å; V489-R491 VanDerWaalsContact C-N 3.34Å; V489-R491 PolarHBondContact O-N 3.27Å; R491-L493 VanDerWaalsContact C-N 3.29Å; R491-E494 PolarHBondContact O-N 3.35Å; R491-E495 WeakPolarHBondContact CD-OE1 3.46Å; R491-E495 VanDerWaalsContact O-CB 3.3Å; R491-E495 WeakPolarHBondContact O-CB 3.43Å; R491-E495 VanDerWaalsContact O-CG 3.26Å; R491-E495 WeakPolarHBondContact O-CG 3.18Å; R491-E495 PolarHBondContact O-N 3.32Å
492L90.3Very high90.2Very high1 Ų167.9 Ų67.91%0.00532%0.321CS..Hα-helixtrans-68.1-32.8176.9-73.7170.5000111.6R476 L477 A480 T488 V489 L490 E495 K496 H497R476-L492 HydrophobicContact CB-CD1 4.03Å; R476-L492 HydrophobicContact CB-CD2 4.02Å; R476-L492 VanDerWaalsContact CZ-CD2 3.48Å; R476-L492 WeakPolarHBondContact O-CD1 3.34Å; L477-L492 HydrophobicContact CB-CD1 4.28Å; L477-L492 HydrophobicContact CD1-CB 4.06Å; L477-L492 HydrophobicContact CD1-CD1 4.02Å; A480-L492 HydrophobicContact CB-CD1 3.92Å; T488-L492 HydrophobicContact CG2-CD1 4.01Å; T488-L492 HydrophobicContact CG2-CG 4.36Å; T488-L492 WeakPolarHBondContact O-CB 3.3Å; T488-L492 VanDerWaalsContact O-CG 3.24Å; T488-L492 WeakPolarHBondContact O-CG 3.11Å; T488-L492 PolarHBondContact O-N 3.07Å; V489-L492 PolarHBondContact O-N 3.17Å; V489-L492 VanDerWaalsContact O-N 3.07Å; L490-L492 VanDerWaalsContact C-N 3.35Å; L490-L492 PolarHBondContact O-N 3.3Å; L492-E495 CarbonylContact O-C 3.52Å; L492-E495 PolarHBondContact O-N 3.33Å; L492-K496 PolarHBondContact O-N 3.31Å; L492-H497 HydrophobicContact CB-CB 4.19Å; L492-H497 WeakPolarHBondContact O-CB 3.45Å; L492-H497 PolarHBondContact O-N 3.16Å
493L88.3Confident90Very high22 Ų2267.6 Ų67.612%0.11532%0.319CS..Hα-helixtrans-73.9-39.9175.4-61.6166.6000111L477 V489 L490 R491 E495 K496 I499 V524 L525 H528L477-L493 HydrophobicContact CD2-CD2 4.28Å; V489-L493 HydrophobicContact CG1-CD1 3.75Å; V489-L493 WeakPolarHBondContact O-CG 3.3Å; V489-L493 PolarHBondContact O-N 2.89Å; L490-L493 PolarHBondContact O-N 2.87Å; L490-L493 VanDerWaalsContact O-N 3.13Å; R491-L493 VanDerWaalsContact C-N 3.29Å; L493-E495 VanDerWaalsContact C-N 3.35Å; L493-E495 PolarHBondContact O-N 3.3Å; L493-K496 WeakPolarHBondContact O-CA 3.4Å; L493-K496 PolarHBondContact O-N 2.85Å; L493-I499 HydrophobicContact CD2-CB 4.31Å; L493-I499 HydrophobicContact CD2-CD1 3.72Å; L493-I499 HydrophobicContact CD2-CG1 3.99Å; L493-V524 HydrophobicContact CD1-CG1 3.91Å; L493-L525 HydrophobicContact CD1-CD2 4.48Å; L493-H528 HydrophobicContact CD1-CB 3.91Å; L493-H528 HydrophobicContact CD2-CB 4.33Å
494E87.7Confident89.8Confident146 Ų14669 Ų6968%0.68233%0.33SS*.Hα-helixtrans-58.7-41.7167.3-68.5167.7173.900112.2L490 R491 K496L490-E494 WeakPolarHBondContact O-CG 3.46Å; L490-E494 PolarHBondContact O-N 3.41Å; R491-E494 PolarHBondContact O-N 3.35Å; E494-K496 PolarHBondContact O-N 3.4Å; E494-K496 VanDerWaalsContact O-N 3.1Å
495E86.2Confident89.3Confident77 Ų7767.8 Ų67.836%0.3633%0.33SS..THydrogen-bonded Turntrans-66.90.3172.4-76.1171.7-150.900112.9R476 R491 L492 L493 H497R476-E495 IonicContact CZ-OE2 3.78Å; R476-E495 IonicContact NH1-OE2 3.47Å; R476-E495 PolarHBondContact NH1-OE2 2.91Å; R476-E495 IonicContact NH2-OE2 3.7Å; R491-E495 WeakPolarHBondContact CD-OE1 3.46Å; R491-E495 VanDerWaalsContact O-CB 3.3Å; R491-E495 WeakPolarHBondContact O-CB 3.43Å; R491-E495 VanDerWaalsContact O-CG 3.26Å; R491-E495 WeakPolarHBondContact O-CG 3.18Å; R491-E495 PolarHBondContact O-N 3.32Å; L492-E495 CarbonylContact O-C 3.52Å; L492-E495 PolarHBondContact O-N 3.33Å; L493-E495 VanDerWaalsContact C-N 3.35Å; L493-E495 PolarHBondContact O-N 3.3Å; E495-H497 VanDerWaalsContact C-N 3.3Å; E495-H497 PolarHBondContact O-N 2.95Å
496K83Confident88.9Confident181 Ų18162.1 Ų62.179%0.78732%0.316SS*.THydrogen-bonded Turntrans5538.4-175.5-59.8-165.9176-164.90114.1L492 L493 E494L492-K496 PolarHBondContact O-N 3.31Å; L493-K496 WeakPolarHBondContact O-CA 3.4Å; L493-K496 PolarHBondContact O-N 2.85Å; E494-K496 PolarHBondContact O-N 3.4Å; E494-K496 VanDerWaalsContact O-N 3.1Å
497H83.1Confident88.9Confident12 Ų1261.5 Ų61.56%0.05631%0.309CS..  trans-65.9131.3168.3-162.2-63.8000109.3L492 E495 I499L492-H497 HydrophobicContact CB-CB 4.19Å; L492-H497 WeakPolarHBondContact O-CB 3.45Å; L492-H497 PolarHBondContact O-N 3.16Å; E495-H497 VanDerWaalsContact C-N 3.3Å; E495-H497 PolarHBondContact O-N 2.95Å; H497-I499 PolarHBondContact O-N 2.7Å
498P86.8Confident88.9Confident57 Ų5753.1 Ų53.137%0.3727%0.273SS..  trans-58.3137.6176.124-34.7000110.7L467 V501L467-P498 HydrophobicContact CD1-CG 4.04Å; L467-P498 HydrophobicContact CD2-CG 3.61Å; L467-P498 HydrophobicContact CG-CG 4.41Å; P498-V501 WeakPolarHBondContact O-CG1 3.3Å
499I91Very high89.1Confident26 Ų2650.8 Ų50.813%0.13326%0.259CS..SBendtrans-85.1-55.3-169-162.3163.2000111.4L477 L493 H497 V501 P509 L525 H528 A530L477-I499 HydrophobicContact CD2-CG1 4.37Å; L493-I499 HydrophobicContact CD2-CB 4.31Å; L493-I499 HydrophobicContact CD2-CD1 3.72Å; L493-I499 HydrophobicContact CD2-CG1 3.99Å; H497-I499 PolarHBondContact O-N 2.7Å; I499-V501 PolarHBondContact O-N 3.4Å; I499-P509 WeakPolarHBondContact O-CD 3.49Å; I499-L525 HydrophobicContact CD1-CB 4.5Å; I499-L525 HydrophobicContact CD1-CD2 4Å; I499-L525 VanDerWaalsContact CD1-O 3.28Å; I499-L525 WeakPolarHBondContact CD1-O 3.24Å; I499-L525 HydrophobicContact CG1-CD2 3.84Å; I499-H528 HydrophobicContact CD1-CB 3.91Å; I499-A530 HydrophobicContact CD1-CB 3.81Å; I499-A530 HydrophobicContact CG1-CB 3.92Å
500D90.9Very high89.2Confident37 Ų3750.9 Ų50.920%0.19826%0.259CS..SBendtrans-8643.7176.7-53.3-39.3000112.8T508 A530 N531 R534D500-T508 HydrophobicContact CB-CG2 4.5Å; D500-A530 WeakPolarHBondContact OD1-CA 3.49Å; D500-N531 PolarHBondContact OD1-N 3.4Å; D500-N531 VanDerWaalsContact OD2-CB 3.25Å; D500-N531 WeakPolarHBondContact OD2-CB 3.42Å; D500-N531 PolarHBondContact OD2-N 3.1Å; D500-N531 VanDerWaalsContact OD2-N 3.09Å; D500-R534 PolarHBondContact O-NH1 3.44Å
501V89.6Confident89.4Confident23 Ų2348 Ų4814%0.13924%0.244CC..  trans-71.4132.3165.853.90000108.5S475 H478 P498 I499 P509S475-V501 WeakPolarHBondContact OG-CG1 3.49Å; H478-V501 PolarHBondContact CE1-O 3.5Å; H478-V501 PolarHBondContact NE2-O 2.74Å; P498-V501 WeakPolarHBondContact O-CG1 3.3Å; I499-V501 PolarHBondContact O-N 3.4Å; V501-P509 HydrophobicContact CG1-CG 4.2Å; V501-P509 WeakPolarHBondContact O-CD 3.33Å
502V90.8Very high89.6Confident44 Ų4442.7 Ų42.727%0.26723%0.225SC..  trans-91.9157.6175.1-66.20000112.5K469 G506 W507 T508K469-V502 WeakPolarHBondContact CE-O 3.46Å; K469-V502 PolarHBondContact NZ-O 3.29Å; V502-G506 VanDerWaalsContact CG1-O 3.3Å; V502-G506 WeakPolarHBondContact CG1-O 3.43Å; V502-W507 CarbonylContact C-O 3.6Å; V502-W507 WeakPolarHBondContact CA-O 3.31Å; V502-T508 HydrophobicContact CG1-CG2 3.8Å
503D89.6Confident89.8Confident15 Ų1542.7 Ų42.78%0.0823%0.225CC..  trans-81-141.1172.377.2-21.1000112.2K469 H478 A505 G506 W507K469-D503 PolarHBondContact NZ-O 3.48Å; H478-D503 PolarHBondContact NE2-N 3.44Å; D503-A505 WeakPolarHBondContact OD1-CA 3.33Å; D503-A505 PolarHBondContact OD1-N 2.61Å; D503-A505 PolarHBondContact OD2-N 3.16Å; D503-G506 PolarHBondContact OD1-N 2.93Å; D503-W507 PolarHBondContact N-O 3.12Å; D503-W507 PolarHBondContact OD1-N 3.36Å
504N87.7Confident90.2Very high111 Ų11141.6 Ų41.659%0.59422%0.219SC*.SBendtrans-101-12.7169.7-69.5-4.9000114A471 V472 G473A471-N504 PolarHBondContact O-ND2 3.36Å; V472-N504 VanDerWaalsContact C-CG 3.46Å; V472-N504 VanDerWaalsContact C-ND2 3.33Å; V472-N504 VanDerWaalsContact O-CB 3.28Å; V472-N504 WeakPolarHBondContact O-CB 3.32Å; V472-N504 VanDerWaalsContact O-CG 3.31Å; V472-N504 PolarHBondContact O-N 2.72Å; V472-N504 VanDerWaalsContact O-N 3.14Å; G473-N504 WeakPolarHBondContact CA-OD1 3.45Å; G473-N504 PolarHBondContact N-ND2 2.76Å
505A82.7Confident90.5Very high48 Ų4836.9 Ų36.940%0.39720%0.199SC..SBendtrans-94.9-15.7176.500000112.9D503 M537D503-A505 WeakPolarHBondContact OD1-CA 3.33Å; D503-A505 PolarHBondContact OD1-N 2.61Å; D503-A505 PolarHBondContact OD2-N 3.16Å; A505-M537 HydrophobicContact CB-SD 4.43Å
506G85.8Confident90.8Very high24 Ų2438.8 Ų38.825%0.24720%0.203CC..SBendtrans111.1-6.5-179.800000113.8V502 D503V502-G506 VanDerWaalsContact CG1-O 3.3Å; V502-G506 WeakPolarHBondContact CG1-O 3.43Å; D503-G506 PolarHBondContact OD1-N 2.93Å
507W91.7Very high91.3Very high48 Ų4831.3 Ų31.318%0.18218%0.177CC..  trans-71.3151.9-179-59.8123.7000112.2H478 V502 D503 H511 M537 L540 D545H478-W507 PolarHBondContact NE2-O 2.91Å; V502-W507 CarbonylContact C-O 3.6Å; V502-W507 WeakPolarHBondContact CA-O 3.31Å; D503-W507 PolarHBondContact N-O 3.12Å; D503-W507 PolarHBondContact OD1-N 3.36Å; W507-H511 HydrophobicContact CB-CB 4.29Å; W507-H511 HydrophobicContact CD2-CB 4.35Å; W507-H511 HydrophobicContact CE3-CB 3.61Å; W507-H511 AromaticContact CE3-CD2 3.5Å; W507-H511 VanDerWaalsContact CE3-CD2 3.5Å; W507-H511 AromaticContact CE3-CG 3.59Å; W507-H511 HydrophobicContact CZ3-CB 4.27Å; W507-H511 AromaticContact CZ3-CD2 3.55Å; W507-M537 HydrophobicContact CD2-CB 4.45Å; W507-M537 HydrophobicContact CH2-CB 4.11Å; W507-M537 HydrophobicContact CZ2-CB 3.66Å; W507-L540 HydrophobicContact CH2-CB 4.25Å; W507-L540 HydrophobicContact CH2-CD1 3.86Å; W507-L540 HydrophobicContact CZ3-CB 4.36Å; W507-D545 VanDerWaalsContact CZ3-OD2 3.31Å; W507-D545 WeakPolarHBondContact CZ3-OD2 3.42Å
508T93.8Very high92Very high0 Ų032.4 Ų32.40%018%0.182CC..  trans-110.5168.1173.1690000110.9D500 V502 L510 H511 E512D500-T508 HydrophobicContact CB-CG2 4.5Å; V502-T508 HydrophobicContact CG1-CG2 3.8Å; T508-L510 PolarHBondContact O-N 3.05Å; T508-L510 VanDerWaalsContact O-N 3.09Å; T508-L510 PolarHBondContact OG1-N 3.04Å; T508-H511 PolarHBondContact N-ND1 3.21Å; T508-H511 PolarHBondContact O-N 3.14Å; T508-H511 VanDerWaalsContact O-N 3.12Å; T508-H511 PolarHBondContact OG1-N 2.98Å; T508-H511 PolarHBondContact OG1-ND1 3.29Å; T508-E512 PolarHBondContact O-N 3.31Å
509P94.6Very high92.4Very high0 Ų031.6 Ų31.60%018%0.178CC..Hα-helixtrans-56-22.4169.9-27.335.4000114.5L477 A481 I499 V501 A513 L525L477-P509 HydrophobicContact CB-CG 4.04Å; L477-P509 HydrophobicContact CD2-CB 4.3Å; L477-P509 HydrophobicContact CD2-CG 4.03Å; L477-P509 HydrophobicContact CG-CB 3.9Å; L477-P509 HydrophobicContact CG-CG 3.83Å; A481-P509 HydrophobicContact CB-CB 4.22Å; A481-P509 VanDerWaalsContact CB-O 3.32Å; A481-P509 WeakPolarHBondContact CB-O 3.32Å; I499-P509 WeakPolarHBondContact O-CD 3.49Å; V501-P509 HydrophobicContact CG1-CG 4.2Å; V501-P509 WeakPolarHBondContact O-CD 3.33Å; P509-A513 WeakPolarHBondContact O-CB 3.36Å; P509-A513 PolarHBondContact O-N 3.45Å; P509-A513 VanDerWaalsContact O-N 3.14Å; P509-L525 HydrophobicContact CB-CD1 4.32Å; P509-L525 WeakPolarHBondContact O-CD1 3.48Å
510L96.7Very high92.6Very high1 Ų132.6 Ų32.61%0.00519%0.19CC..Hα-helixtrans-72-53.8172.6-176.961.7000110.5T508 E512 A513 V514 V522 L525 I526 A530 V532 P542T508-L510 PolarHBondContact O-N 3.05Å; T508-L510 VanDerWaalsContact O-N 3.09Å; T508-L510 PolarHBondContact OG1-N 3.04Å; L510-E512 PolarHBondContact O-N 2.92Å; L510-A513 WeakPolarHBondContact O-CA 3.31Å; L510-A513 WeakPolarHBondContact O-CB 3.5Å; L510-A513 PolarHBondContact O-N 2.83Å; L510-V514 HydrophobicContact CD1-CG2 4.09Å; L510-V514 HydrophobicContact CG-CG2 4.21Å; L510-V514 WeakPolarHBondContact O-CB 3.2Å; L510-V514 VanDerWaalsContact O-CG2 3.24Å; L510-V514 WeakPolarHBondContact O-CG2 3.4Å; L510-V514 PolarHBondContact O-N 3.39Å; L510-V522 HydrophobicContact CD1-CG1 4.05Å; L510-L525 HydrophobicContact CB-CD1 4.47Å; L510-L525 HydrophobicContact CD1-CB 4.27Å; L510-L525 HydrophobicContact CD1-CD1 4.41Å; L510-I526 HydrophobicContact CD1-CG1 4.39Å; L510-A530 HydrophobicContact CB-CB 4.43Å; L510-A530 HydrophobicContact CD2-CB 4.14Å; L510-V532 HydrophobicContact CD2-CG1 4.24Å; L510-P542 HydrophobicContact CD2-CB 4.29Å; L510-P542 HydrophobicContact CD2-CG 4.04Å; L510-P542 HydrophobicContact CG-CB 4.46Å; L510-P542 HydrophobicContact CG-CG 4.42Å
511H95.9Very high92.9Very high0 Ų030.9 Ų30.90%018%0.181CC..Hα-helixtrans-53.7-42.3174.5-6293.7000111.7W507 T508 A513 V514 N515 R534 G536 P542 D545W507-H511 HydrophobicContact CB-CB 4.29Å; W507-H511 HydrophobicContact CD2-CB 4.35Å; W507-H511 HydrophobicContact CE3-CB 3.61Å; W507-H511 AromaticContact CE3-CD2 3.5Å; W507-H511 VanDerWaalsContact CE3-CD2 3.5Å; W507-H511 AromaticContact CE3-CG 3.59Å; W507-H511 HydrophobicContact CZ3-CB 4.27Å; W507-H511 AromaticContact CZ3-CD2 3.55Å; T508-H511 PolarHBondContact N-ND1 3.21Å; T508-H511 PolarHBondContact O-N 3.14Å; T508-H511 VanDerWaalsContact O-N 3.12Å; T508-H511 PolarHBondContact OG1-N 2.98Å; T508-H511 PolarHBondContact OG1-ND1 3.29Å; H511-A513 VanDerWaalsContact C-N 3.32Å; H511-A513 PolarHBondContact O-N 2.88Å; H511-V514 PolarHBondContact O-N 3.01Å; H511-N515 PolarHBondContact O-N 3.02Å; H511-N515 PolarHBondContact O-ND2 3.19Å; H511-R534 PolarHBondContact CE1-O 3.23Å; H511-R534 PolarHBondContact NE2-O 3.06Å; H511-R534 VanDerWaalsContact NE2-O 3.14Å; H511-G536 PolarHBondContact NE2-N 3.02Å; H511-P542 WeakPolarHBondContact NE2-CD 3.34Å; H511-D545 IonicContact CD2-OD2 2.78Å; H511-D545 PolarHBondContact CD2-OD2 3.21Å; H511-D545 VanDerWaalsContact CD2-OD2 3.26Å; H511-D545 IonicContact CG-OD2 3.18Å
512E95.1Very high93.2Very high24 Ų2429.8 Ų29.811%0.11217%0.174CC..Hα-helixtrans-69.5-22.8177.1-85.5-73.6-154.300114.8I482 T508 L510 R516I482-E512 HydrophobicContact CD1-CG 4.18Å; I482-E512 WeakPolarHBondContact CD1-OE1 3.37Å; I482-E512 HydrophobicContact CG1-CB 3.92Å; I482-E512 VanDerWaalsContact CG1-CD 3.44Å; I482-E512 HydrophobicContact CG1-CG 3.93Å; I482-E512 WeakPolarHBondContact CG1-OE2 3.47Å; T508-E512 PolarHBondContact O-N 3.31Å; L510-E512 PolarHBondContact O-N 2.92Å; E512-R516 VanDerWaalsContact O-CD 3.23Å; E512-R516 WeakPolarHBondContact O-CD 3.18Å; E512-R516 WeakPolarHBondContact O-CG 3.34Å; E512-R516 PolarHBondContact O-NE 3.27Å; E512-R516 IonicContact OE1-NH2 3.21Å; E512-R516 PolarHBondContact OE1-NH2 3.19Å; E512-R516 IonicContact OE2-CZ 3.88Å; E512-R516 IonicContact OE2-NE 2.66Å; E512-R516 PolarHBondContact OE2-NE 3.06Å; E512-R516 IonicContact OE2-NH2 3.35Å; E512-R516 PolarHBondContact OE2-NH2 3.12Å
513A96Very high93.5Very high0 Ų032.2 Ų32.20%018%0.181CC..Hα-helixtrans-82.1-35.8169.200000111.6A481 P509 L510 H511 G517 H518 V521 V522 L525A481-A513 HydrophobicContact CB-CB 4.25Å; P509-A513 WeakPolarHBondContact O-CB 3.36Å; P509-A513 PolarHBondContact O-N 3.45Å; P509-A513 VanDerWaalsContact O-N 3.14Å; L510-A513 WeakPolarHBondContact O-CA 3.31Å; L510-A513 WeakPolarHBondContact O-CB 3.5Å; L510-A513 PolarHBondContact O-N 2.83Å; H511-A513 VanDerWaalsContact C-N 3.32Å; H511-A513 PolarHBondContact O-N 2.88Å; A513-G517 PolarHBondContact O-N 3.3Å; A513-H518 HydrophobicContact CB-CB 4.41Å; A513-H518 PolarHBondContact O-N 2.86Å; A513-V521 HydrophobicContact CB-CB 4.31Å; A513-V521 HydrophobicContact CB-CG1 3.82Å; A513-V522 HydrophobicContact CB-CG2 3.69Å; A513-L525 HydrophobicContact CB-CD1 4.15Å
514V96.3Very high93.8Very high0 Ų032.4 Ų32.40%018%0.183CC..Hα-helixtrans-71-54.9-176.3164.90000112.1L510 H511 R516 G517 V522 P542 D545 A546 H551 V554 L558L510-V514 HydrophobicContact CD1-CG2 4.09Å; L510-V514 HydrophobicContact CG-CG2 4.21Å; L510-V514 WeakPolarHBondContact O-CB 3.2Å; L510-V514 VanDerWaalsContact O-CG2 3.24Å; L510-V514 WeakPolarHBondContact O-CG2 3.4Å; L510-V514 PolarHBondContact O-N 3.39Å; H511-V514 PolarHBondContact O-N 3.01Å; V514-R516 PolarHBondContact O-N 3.38Å; V514-G517 PolarHBondContact O-N 3Å; V514-V522 HydrophobicContact CG2-CG1 4.38Å; V514-V522 HydrophobicContact CG2-CG2 3.8Å; V514-P542 VanDerWaalsContact CG1-O 3.32Å; V514-P542 WeakPolarHBondContact CG1-O 3.46Å; V514-P542 HydrophobicContact CG2-CB 4.35Å; V514-D545 HydrophobicContact CG1-CB 3.7Å; V514-A546 HydrophobicContact CG1-CB 3.77Å; V514-H551 PolarHBondContact O-CD2 3.13Å; V514-V554 HydrophobicContact CB-CG1 4.22Å; V514-V554 HydrophobicContact CG1-CG1 3.98Å; V514-V554 HydrophobicContact CG2-CG1 3.8Å; V514-L558 HydrophobicContact CG2-CD1 4.32Å
515N93Very high94.2Very high47 Ų4727.1 Ų27.125%0.25116%0.155SC..THydrogen-bonded Turntrans-56.2-20.6178.4-76.3-75.4000113H511 D545 N549 H551H511-N515 PolarHBondContact O-N 3.02Å; H511-N515 PolarHBondContact O-ND2 3.19Å; N515-D545 PolarHBondContact ND2-OD2 3.41Å; N515-N549 PolarHBondContact OD1-ND2 2.8Å; N515-H551 PolarHBondContact O-NE2 2.89Å
516R93.9Very high94.8Very high116 Ų11626.5 Ų26.544%0.43814%0.144SC..THydrogen-bonded Turntrans-105.56.1-177.1-55.6-178.3-167.5-79.8-4.5113.7E512 V514 H518E512-R516 VanDerWaalsContact O-CD 3.23Å; E512-R516 WeakPolarHBondContact O-CD 3.18Å; E512-R516 WeakPolarHBondContact O-CG 3.34Å; E512-R516 PolarHBondContact O-NE 3.27Å; E512-R516 IonicContact OE1-NH2 3.21Å; E512-R516 PolarHBondContact OE1-NH2 3.19Å; E512-R516 IonicContact OE2-CZ 3.88Å; E512-R516 IonicContact OE2-NE 2.66Å; E512-R516 PolarHBondContact OE2-NE 3.06Å; E512-R516 IonicContact OE2-NH2 3.35Å; E512-R516 PolarHBondContact OE2-NH2 3.12Å; V514-R516 PolarHBondContact O-N 3.38Å; R516-H518 WeakPolarHBondContact CB-NE2 3.5Å; R516-H518 PolarHBondContact O-N 3.4Å
517G93.1Very high95.2Very high24 Ų2430.7 Ų30.725%0.24716%0.161CC..THydrogen-bonded Turntrans66.418.2177.900000115.1A513 V514 S519 H551A513-G517 PolarHBondContact O-N 3.3Å; V514-G517 PolarHBondContact O-N 3Å; G517-S519 PolarHBondContact O-N 2.75Å; G517-H551 WeakPolarHBondContact CA-ND1 3.39Å; G517-H551 PolarHBondContact N-NE2 3.13Å
518H96.4Very high95.3Very high36 Ų3632.8 Ų32.817%0.16717%0.173CC..  trans-78.361.2-173.3-64.8-39.7000112.2A481 I482 N484 A513 R516 A520 V521 V522A481-H518 PolarHBondContact O-CD2 3.01Å; I482-H518 PolarHBondContact O-NE2 3.33Å; I482-H518 VanDerWaalsContact O-NE2 3.09Å; N484-H518 PolarHBondContact ND2-ND1 2.88Å; A513-H518 HydrophobicContact CB-CB 4.41Å; A513-H518 PolarHBondContact O-N 2.86Å; R516-H518 WeakPolarHBondContact CB-NE2 3.5Å; R516-H518 PolarHBondContact O-N 3.4Å; H518-A520 VanDerWaalsContact C-N 3.28Å; H518-A520 PolarHBondContact O-N 2.91Å; H518-A520 VanDerWaalsContact O-N 3.1Å; H518-V521 HydrophobicContact CB-CB 4.18Å; H518-V521 WeakPolarHBondContact O-CA 3.5Å; H518-V521 WeakPolarHBondContact O-CB 3.42Å; H518-V521 PolarHBondContact O-N 3.3Å; H518-V522 PolarHBondContact O-N 3.46Å
519S95.1Very high95.1Very high40 Ų4035.4 Ų35.428%0.2820%0.2SC..Hα-helixtrans-46.6-42.6-173.560.70000114.6G517 V521 V522 K523G517-S519 PolarHBondContact O-N 2.75Å; S519-V521 VanDerWaalsContact C-N 3.33Å; S519-V521 PolarHBondContact O-N 2.82Å; S519-V522 PolarHBondContact O-N 2.98Å; S519-K523 WeakPolarHBondContact O-CB 3.32Å; S519-K523 PolarHBondContact O-N 2.78Å
520A95.4Very high95Very high47 Ų4735.9 Ų35.939%0.38820%0.204SC..Hα-helixtrans-64.7-32.117700000113.8L486 H518 V524L486-A520 HydrophobicContact CD1-CB 4.47Å; L486-A520 VanDerWaalsContact CD1-O 3.31Å; L486-A520 WeakPolarHBondContact CD1-O 3.41Å; H518-A520 VanDerWaalsContact C-N 3.28Å; H518-A520 PolarHBondContact O-N 2.91Å; H518-A520 VanDerWaalsContact O-N 3.1Å; A520-V524 PolarHBondContact O-N 2.96Å
521V97.1Very high94.8Very high0 Ų039.4 Ų39.40%022%0.222CC..Hα-helixtrans-80.6-41.7173.6171.60000110.9A481 N484 L486 V489 A513 H518 S519 K523 V524 L525A481-V521 HydrophobicContact CB-CG1 4.19Å; N484-V521 WeakPolarHBondContact OD1-CG2 3.26Å; L486-V521 HydrophobicContact CD1-CG2 4.06Å; V489-V521 HydrophobicContact CG1-CG1 4.47Å; V489-V521 HydrophobicContact CG2-CG1 4.03Å; V489-V521 HydrophobicContact CG2-CG2 4.36Å; A513-V521 HydrophobicContact CB-CB 4.31Å; A513-V521 HydrophobicContact CB-CG1 3.82Å; H518-V521 HydrophobicContact CB-CB 4.18Å; H518-V521 WeakPolarHBondContact O-CA 3.5Å; H518-V521 WeakPolarHBondContact O-CB 3.42Å; H518-V521 PolarHBondContact O-N 3.3Å; S519-V521 VanDerWaalsContact C-N 3.33Å; S519-V521 PolarHBondContact O-N 2.82Å; V521-K523 VanDerWaalsContact C-N 3.3Å; V521-K523 PolarHBondContact O-N 3.46Å; V521-V524 PolarHBondContact O-N 2.98Å; V521-L525 HydrophobicContact CG1-CD1 3.85Å; V521-L525 HydrophobicContact CG1-CG 4.21Å; V521-L525 WeakPolarHBondContact O-CG 3.22Å; V521-L525 PolarHBondContact O-N 3.3Å
522V97.1Very high94.8Very high0 Ų040.1 Ų40.10%023%0.227CC..Hα-helixtrans-52.3-51.4172.91710000109.8L510 A513 V514 H518 S519 V524 L525 I526 V554L510-V522 HydrophobicContact CD1-CG1 4.05Å; A513-V522 HydrophobicContact CB-CG2 3.69Å; V514-V522 HydrophobicContact CG2-CG1 4.38Å; V514-V522 HydrophobicContact CG2-CG2 3.8Å; H518-V522 PolarHBondContact O-N 3.46Å; S519-V522 PolarHBondContact O-N 2.98Å; V522-V524 PolarHBondContact O-N 3.26Å; V522-L525 PolarHBondContact O-N 3.09Å; V522-I526 HydrophobicContact CG1-CD1 3.66Å; V522-I526 HydrophobicContact CG1-CG1 4.43Å; V522-I526 WeakPolarHBondContact O-CG1 3.43Å; V522-I526 PolarHBondContact O-N 2.91Å; V522-V554 HydrophobicContact CG1-CG1 4.25Å; V522-V554 HydrophobicContact CG2-CG1 4.18Å; V522-V554 HydrophobicContact CG2-CG2 4.38Å
523K96.5Very high94.7Very high95 Ų9541.3 Ų41.341%0.41323%0.234SC..Hα-helixtrans-58-48.7177.8-175.6159.4-169.7146.30112.5S519 V521 L525 I526 D527 L557S519-K523 WeakPolarHBondContact O-CB 3.32Å; S519-K523 PolarHBondContact O-N 2.78Å; V521-K523 VanDerWaalsContact C-N 3.3Å; V521-K523 PolarHBondContact O-N 3.46Å; K523-L525 VanDerWaalsContact C-N 3.31Å; K523-L525 PolarHBondContact O-N 3.26Å; K523-I526 PolarHBondContact O-N 3.45Å; K523-D527 WeakPolarHBondContact O-CB 3.38Å; K523-D527 PolarHBondContact O-N 3.12Å; K523-L557 HydrophobicContact CB-CD1 4.42Å; K523-L557 HydrophobicContact CB-CD2 4.43Å; K523-L557 HydrophobicContact CD-CD2 4.04Å
524V95.8Very high94.4Very high19 Ų1945.3 Ų45.312%0.11525%0.249CC..Hα-helixtrans-62.7-35.5177.3163.50000112.6L486 V489 L490 L493 A520 V521 V522 H528L486-V524 HydrophobicContact CD1-CB 4.12Å; L486-V524 HydrophobicContact CD1-CG2 3.7Å; V489-V524 HydrophobicContact CG1-CG1 3.85Å; L490-V524 HydrophobicContact CD2-CG1 3.61Å; L490-V524 HydrophobicContact CD2-CG2 4.16Å; L490-V524 HydrophobicContact CG-CG1 4.11Å; L493-V524 HydrophobicContact CD1-CG1 3.91Å; A520-V524 PolarHBondContact O-N 2.96Å; V521-V524 PolarHBondContact O-N 2.98Å; V522-V524 PolarHBondContact O-N 3.26Å; V524-H528 PolarHBondContact O-N 2.76Å; V524-H528 PolarHBondContact O-ND1 3.02Å
525L96.1Very high94Very high1 Ų148.9 Ų48.91%0.00527%0.272CS..Hα-helixtrans-68-43175.4-71.2170.8000111.5L477 V489 L493 I499 P509 L510 A513 V521 V522 K523 H528 G529 A530L477-L525 HydrophobicContact CD1-CD2 4.46Å; L477-L525 HydrophobicContact CD2-CD2 4.39Å; V489-L525 HydrophobicContact CG1-CD2 4.13Å; V489-L525 HydrophobicContact CG1-CG 4.44Å; L493-L525 HydrophobicContact CD1-CD2 4.48Å; I499-L525 HydrophobicContact CD1-CB 4.5Å; I499-L525 HydrophobicContact CD1-CD2 4Å; I499-L525 VanDerWaalsContact CD1-O 3.28Å; I499-L525 WeakPolarHBondContact CD1-O 3.24Å; I499-L525 HydrophobicContact CG1-CD2 3.84Å; P509-L525 HydrophobicContact CB-CD1 4.32Å; P509-L525 WeakPolarHBondContact O-CD1 3.48Å; L510-L525 HydrophobicContact CB-CD1 4.47Å; L510-L525 HydrophobicContact CD1-CB 4.27Å; L510-L525 HydrophobicContact CD1-CD1 4.41Å; A513-L525 HydrophobicContact CB-CD1 4.15Å; V521-L525 HydrophobicContact CG1-CD1 3.85Å; V521-L525 HydrophobicContact CG1-CG 4.21Å; V521-L525 WeakPolarHBondContact O-CG 3.22Å; V521-L525 PolarHBondContact O-N 3.3Å; V522-L525 PolarHBondContact O-N 3.09Å; K523-L525 VanDerWaalsContact C-N 3.31Å; K523-L525 PolarHBondContact O-N 3.26Å; L525-H528 CarbonylContact O-C 3.27Å; L525-H528 PolarHBondContact O-N 3.09Å; L525-G529 PolarHBondContact O-N 3.1Å; L525-A530 HydrophobicContact CB-CB 3.97Å; L525-A530 VanDerWaalsContact O-CB 3.28Å; L525-A530 WeakPolarHBondContact O-CB 3.36Å; L525-A530 PolarHBondContact O-N 3.14Å
526I96Very high93.6Very high35 Ų3547.4 Ų47.418%0.17927%0.268CS..Hα-helixtrans-62-48.7174.6-68.4170.9000110.8L510 V522 K523 H528 G529 V532 L558 A561L510-I526 HydrophobicContact CD1-CG1 4.39Å; V522-I526 HydrophobicContact CG1-CD1 3.66Å; V522-I526 HydrophobicContact CG1-CG1 4.43Å; V522-I526 WeakPolarHBondContact O-CG1 3.43Å; V522-I526 PolarHBondContact O-N 2.91Å; K523-I526 PolarHBondContact O-N 3.45Å; I526-H528 PolarHBondContact O-N 2.97Å; I526-H528 VanDerWaalsContact O-N 3.08Å; I526-G529 PolarHBondContact O-N 3.39Å; I526-V532 HydrophobicContact CD1-CG1 4.1Å; I526-V532 HydrophobicContact CG1-CG1 3.85Å; I526-L558 HydrophobicContact CD1-CD2 4.06Å; I526-A561 HydrophobicContact CD1-CB 3.98Å; I526-A561 HydrophobicContact CG2-CB 3.65Å
527D93.7Very high93.1Very high111 Ų11146.3 Ų46.359%0.59427%0.269SS*.Hα-helixtrans-59.5-21.5178.1-69.1-22.5000112.8K523K523-D527 WeakPolarHBondContact O-CB 3.38Å; K523-D527 PolarHBondContact O-N 3.12Å
528H93.2Very high92.6Very high93 Ų9350.3 Ų50.343%0.43128%0.281SS..THydrogen-bonded Turntrans-104.911.8176-6771.7000113.7L493 I499 V524 L525 I526L493-H528 HydrophobicContact CD1-CB 3.91Å; L493-H528 HydrophobicContact CD2-CB 4.33Å; I499-H528 HydrophobicContact CD1-CB 3.91Å; V524-H528 PolarHBondContact O-N 2.76Å; V524-H528 PolarHBondContact O-ND1 3.02Å; L525-H528 CarbonylContact O-C 3.27Å; L525-H528 PolarHBondContact O-N 3.09Å; I526-H528 PolarHBondContact O-N 2.97Å; I526-H528 VanDerWaalsContact O-N 3.08Å
529G90.4Very high92Very high55 Ų5549.4 Ų49.457%0.56728%0.282SS*.THydrogen-bonded Turntrans87.433.4169.900000116.1L525 I526L525-G529 PolarHBondContact O-N 3.1Å; I526-G529 PolarHBondContact O-N 3.39Å
530A93.4Very high91.8Very high10 Ų1048.5 Ų48.58%0.08327%0.274CS..  trans-68.8139.3169.400000111.4I499 D500 L510 L525 V532I499-A530 HydrophobicContact CD1-CB 3.81Å; I499-A530 HydrophobicContact CG1-CB 3.92Å; D500-A530 WeakPolarHBondContact OD1-CA 3.49Å; L510-A530 HydrophobicContact CB-CB 4.43Å; L510-A530 HydrophobicContact CD2-CB 4.14Å; L525-A530 HydrophobicContact CB-CB 3.97Å; L525-A530 VanDerWaalsContact O-CB 3.28Å; L525-A530 WeakPolarHBondContact O-CB 3.36Å; L525-A530 PolarHBondContact O-N 3.14Å; A530-V532 PolarHBondContact O-N 2.83Å; A530-V532 VanDerWaalsContact O-N 3.14Å
531N92.1Very high91.7Very high74 Ų7446.4 Ų46.440%0.39626%0.256SS..  trans-76.6103.3-179.5-175.2-11.7000111.8D500 N533 R534D500-N531 PolarHBondContact OD1-N 3.4Å; D500-N531 VanDerWaalsContact OD2-CB 3.25Å; D500-N531 WeakPolarHBondContact OD2-CB 3.42Å; D500-N531 PolarHBondContact OD2-N 3.1Å; D500-N531 VanDerWaalsContact OD2-N 3.09Å; N531-N533 PolarHBondContact O-N 3.31Å; N531-N533 PolarHBondContact OD1-N 3.03Å; N531-R534 HydrophobicContact CB-CB 4.04Å; N531-R534 PolarHBondContact O-N 2.94Å; N531-R534 PolarHBondContact OD1-N 2.86Å
532V95Very high91.6Very high16 Ų1646.4 Ų46.410%0.09726%0.256CS..THydrogen-bonded Turntrans-65.7-15.8179.4-63.20000115.2L510 I526 A530 P542 L558 A561 A563L510-V532 HydrophobicContact CD2-CG1 4.24Å; I526-V532 HydrophobicContact CD1-CG1 4.1Å; I526-V532 HydrophobicContact CG1-CG1 3.85Å; A530-V532 PolarHBondContact O-N 2.83Å; A530-V532 VanDerWaalsContact O-N 3.14Å; V532-P542 WeakPolarHBondContact O-CD 3.4Å; V532-P542 WeakPolarHBondContact O-CG 3.36Å; V532-L558 HydrophobicContact CB-CD2 4.01Å; V532-L558 HydrophobicContact CG1-CD2 3.84Å; V532-A561 HydrophobicContact CG1-CB 4.08Å; V532-A563 HydrophobicContact CB-CB 4.46Å; V532-A563 HydrophobicContact CG2-CB 4.43Å
533N92.7Very high91.6Very high49 Ų4946.5 Ų46.526%0.26226%0.256SS..THydrogen-bonded Turntrans-112.26.9-176.7-68.1-17.5000113.1N531 P535 A563 D564 L567N531-N533 PolarHBondContact O-N 3.31Å; N531-N533 PolarHBondContact OD1-N 3.03Å; N533-P535 WeakPolarHBondContact O-CD 3.02Å; N533-A563 VanDerWaalsContact OD1-CA 3.23Å; N533-A563 WeakPolarHBondContact OD1-CA 3.14Å; N533-D564 PolarHBondContact OD1-N 2.93Å; N533-L567 HydrophobicContact CB-CD1 4.11Å
534R90.7Very high91.5Very high83 Ų8342.1 Ų42.131%0.31324%0.237SC..  trans-72.9123.4-179-179.8166.1-177.5166.2-0.5110.3D500 H511 N531 P542D500-R534 PolarHBondContact O-NH1 3.44Å; H511-R534 PolarHBondContact CE1-O 3.23Å; H511-R534 PolarHBondContact NE2-O 3.06Å; H511-R534 VanDerWaalsContact NE2-O 3.14Å; N531-R534 HydrophobicContact CB-CB 4.04Å; N531-R534 PolarHBondContact O-N 2.94Å; N531-R534 PolarHBondContact OD1-N 2.86Å; R534-P542 WeakPolarHBondContact O-CD 3.46Å
535P87.1Confident91.4Very high75 Ų7541.2 Ų41.249%0.48723%0.232SC..  trans-69141.8175.727.8-34.1000111.9N533 L540N533-P535 WeakPolarHBondContact O-CD 3.02Å; P535-L540 CarbonylContact C-O 3.57Å; P535-L540 WeakPolarHBondContact CA-O 3.39Å
536G85.6Confident91.3Very high16 Ų1641.2 Ų41.217%0.16523%0.232CC..  trans-99.8-137.3170.200000111.9H511 L540H511-G536 PolarHBondContact NE2-N 3.02Å; G536-L540 PolarHBondContact N-O 3.18Å
537M83.7Confident91.2Very high94 Ų9439.5 Ų39.546%0.46322%0.223SC..G310 helixtrans-69.8143.6179.4-168.8168.4175.300110.9A505 W507 G539 L540A505-M537 HydrophobicContact CB-SD 4.43Å; W507-M537 HydrophobicContact CD2-CB 4.45Å; W507-M537 HydrophobicContact CH2-CB 4.11Å; W507-M537 HydrophobicContact CZ2-CB 3.66Å; M537-G539 PolarHBondContact O-N 3.32Å; M537-L540 WeakPolarHBondContact O-CB 3.29Å; M537-L540 PolarHBondContact O-N 3.19Å; M537-L540 VanDerWaalsContact O-N 3.1Å
538Q81.6Confident91Very high107 Ų10736.3 Ų36.350%0.521%0.208SC..G310 helixtrans5519.3-177.3-65.2173.9-11.700115L540 D569 D570Q538-L540 PolarHBondContact O-N 3.43Å; Q538-D569 WeakPolarHBondContact O-CB 3.5Å; Q538-D570 WeakPolarHBondContact O-CB 3.18Å; Q538-D570 PolarHBondContact O-N 2.92Å
539G84.1Confident90.9Very high17 Ų1735.1 Ų35.118%0.17520%0.204CC..G310 helixtrans79.40.8-177.600000114.8M537 T541M537-G539 PolarHBondContact O-N 3.32Å; G539-T541 PolarHBondContact O-N 3.18Å
540L91.1Very high90.9Very high22 Ų2233.1 Ų33.112%0.11518%0.184CC..  trans-54.8134.5175.8-74.1166.3000111.3W507 P535 G536 M537 Q538 M544 Y578W507-L540 HydrophobicContact CH2-CB 4.25Å; W507-L540 HydrophobicContact CH2-CD1 3.86Å; W507-L540 HydrophobicContact CZ3-CB 4.36Å; P535-L540 CarbonylContact C-O 3.57Å; P535-L540 WeakPolarHBondContact CA-O 3.39Å; G536-L540 PolarHBondContact N-O 3.18Å; M537-L540 WeakPolarHBondContact O-CB 3.29Å; M537-L540 PolarHBondContact O-N 3.19Å; M537-L540 VanDerWaalsContact O-N 3.1Å; Q538-L540 PolarHBondContact O-N 3.43Å; L540-M544 HydrophobicContact CD2-CB 3.79Å; L540-M544 HydrophobicContact CD2-SD 4.31Å; L540-Y578 HydrophobicContact CD2-CE1 3.9Å; L540-Y578 HydrophobicContact CD2-CE2 3.85Å; L540-Y578 VanDerWaalsContact CD2-CZ 3.41Å; L540-Y578 VanDerWaalsContact CD2-OH 3.28Å; L540-Y578 WeakPolarHBondContact CD2-OH 3.5Å
541T93.1Very high90.8Very high3 Ų335.1 Ų35.12%0.01819%0.192CC..  trans-97.3161.1172.867.20000110.6G539 L543 M544 D545 L567G539-T541 PolarHBondContact O-N 3.18Å; T541-L543 PolarHBondContact O-N 3.06Å; T541-L543 PolarHBondContact OG1-N 3.48Å; T541-M544 HydrophobicContact CG2-CE 4.07Å; T541-M544 HydrophobicContact CG2-SD 4.03Å; T541-M544 PolarHBondContact N-SD 3.38Å; T541-M544 WeakPolarHBondContact O-CA 3.44Å; T541-M544 WeakPolarHBondContact O-CB 3.49Å; T541-M544 PolarHBondContact O-N 2.91Å; T541-M544 WeakPolarHBondContact OG1-CG 3.5Å; T541-M544 PolarHBondContact OG1-N 2.95Å; T541-D545 PolarHBondContact O-N 2.84Å; T541-L567 HydrophobicContact CG2-CB 4.06Å; T541-L567 HydrophobicContact CG2-CD1 3.79Å
542P95.1Very high90.8Very high0 Ų032.6 Ų32.60%018%0.177CC..Hα-helixtrans-52.5-29170.9-28.836.4000113.7L510 H511 V514 V532 R534 A546 L558L510-P542 HydrophobicContact CD2-CB 4.29Å; L510-P542 HydrophobicContact CD2-CG 4.04Å; L510-P542 HydrophobicContact CG-CB 4.46Å; L510-P542 HydrophobicContact CG-CG 4.42Å; H511-P542 WeakPolarHBondContact NE2-CD 3.34Å; V514-P542 VanDerWaalsContact CG1-O 3.32Å; V514-P542 WeakPolarHBondContact CG1-O 3.46Å; V514-P542 HydrophobicContact CG2-CB 4.35Å; V532-P542 WeakPolarHBondContact O-CD 3.4Å; V532-P542 WeakPolarHBondContact O-CG 3.36Å; R534-P542 WeakPolarHBondContact O-CD 3.46Å; P542-A546 VanDerWaalsContact O-CB 3.26Å; P542-A546 WeakPolarHBondContact O-CB 3.46Å; P542-A546 PolarHBondContact O-N 3.23Å; P542-L558 HydrophobicContact CB-CD1 4.15Å; P542-L558 HydrophobicContact CB-CD2 4.16Å; P542-L558 VanDerWaalsContact O-CD1 3.22Å; P542-L558 WeakPolarHBondContact O-CD1 3.46Å
543L95.7Very high90.7Very high1 Ų135.7 Ų35.71%0.00519%0.19CC..Hα-helixtrans-73.1-33.9176.2-17564.5000112.6T541 A547 V555 L558 L559 A563 V565 V575T541-L543 PolarHBondContact O-N 3.06Å; T541-L543 PolarHBondContact OG1-N 3.48Å; L543-A547 WeakPolarHBondContact O-CB 3.37Å; L543-A547 PolarHBondContact O-N 3.17Å; L543-A547 VanDerWaalsContact O-N 3.12Å; L543-V555 HydrophobicContact CD1-CG1 3.98Å; L543-L558 HydrophobicContact CD1-CB 4.17Å; L543-L559 HydrophobicContact CD1-CD2 4.15Å; L543-L559 HydrophobicContact CD1-CG 4.17Å; L543-L559 HydrophobicContact CD2-CD2 4.24Å; L543-A563 HydrophobicContact CB-CB 4.13Å; L543-A563 HydrophobicContact CD1-CB 4.42Å; L543-A563 HydrophobicContact CD2-CB 4.12Å; L543-A563 HydrophobicContact CG-CB 4.45Å; L543-V565 HydrophobicContact CD2-CB 4.4Å; L543-V565 HydrophobicContact CD2-CG1 3.98Å; L543-V575 HydrophobicContact CD1-CG2 4.47Å; L543-V575 HydrophobicContact CD2-CB 4.32Å; L543-V575 HydrophobicContact CD2-CG1 4.43Å; L543-V575 HydrophobicContact CD2-CG2 4.14Å; L543-V575 HydrophobicContact CG-CB 4.37Å; L543-V575 HydrophobicContact CG-CG2 3.81Å
544M94.5Very high90.8Very high3 Ų333.4 Ų33.42%0.01518%0.178CC..Hα-helixtrans-72.6-46.3174.6-62.9158.5-177.600110.9L540 T541 A546 A547 V548 L567 Y578L540-M544 HydrophobicContact CD2-CB 3.79Å; L540-M544 HydrophobicContact CD2-SD 4.31Å; T541-M544 HydrophobicContact CG2-CE 4.07Å; T541-M544 HydrophobicContact CG2-SD 4.03Å; T541-M544 PolarHBondContact N-SD 3.38Å; T541-M544 WeakPolarHBondContact O-CA 3.44Å; T541-M544 WeakPolarHBondContact O-CB 3.49Å; T541-M544 PolarHBondContact O-N 2.91Å; T541-M544 WeakPolarHBondContact OG1-CG 3.5Å; T541-M544 PolarHBondContact OG1-N 2.95Å; M544-A546 PolarHBondContact O-N 3Å; M544-A547 PolarHBondContact O-N 3.37Å; M544-V548 PolarHBondContact O-N 2.93Å; M544-L567 HydrophobicContact CE-CB 4.19Å; M544-L567 WeakPolarHBondContact CE-O 3.04Å; M544-Y578 HydrophobicContact CB-CD2 3.71Å; M544-Y578 HydrophobicContact CB-CE2 3.89Å; M544-Y578 HydrophobicContact CB-CG 4.39Å; M544-Y578 HydrophobicContact CG-CD2 3.71Å; M544-Y578 HydrophobicContact CG-CE2 3.81Å; M544-Y578 HydrophobicContact SD-CE2 4.03Å
545D94.1Very high91Very high1 Ų129.5 Ų29.51%0.00516%0.163CC..Hα-helixtrans-54.3-42.3172.5-769.9000111.5W507 H511 V514 N515 T541 N549W507-D545 VanDerWaalsContact CZ3-OD2 3.31Å; W507-D545 WeakPolarHBondContact CZ3-OD2 3.42Å; H511-D545 IonicContact CD2-OD2 2.78Å; H511-D545 PolarHBondContact CD2-OD2 3.21Å; H511-D545 VanDerWaalsContact CD2-OD2 3.26Å; H511-D545 IonicContact CG-OD2 3.18Å; V514-D545 HydrophobicContact CG1-CB 3.7Å; N515-D545 PolarHBondContact ND2-OD2 3.41Å; T541-D545 PolarHBondContact O-N 2.84Å; D545-N549 WeakPolarHBondContact O-CB 3.33Å; D545-N549 PolarHBondContact O-N 2.87Å; D545-N549 PolarHBondContact O-ND2 3.38Å
546A94.7Very high91.3Very high0 Ų029.8 Ų29.80%015%0.154CC..Hα-helixtrans-68.1-36.217800000112.6V514 P542 M544 G550 H551 V554 V555 L558V514-A546 HydrophobicContact CG1-CB 3.77Å; P542-A546 VanDerWaalsContact O-CB 3.26Å; P542-A546 WeakPolarHBondContact O-CB 3.46Å; P542-A546 PolarHBondContact O-N 3.23Å; M544-A546 PolarHBondContact O-N 3Å; A546-G550 PolarHBondContact O-N 3.24Å; A546-H551 PolarHBondContact O-N 3.29Å; A546-V554 HydrophobicContact CB-CB 4.43Å; A546-V554 HydrophobicContact CB-CG1 3.92Å; A546-V555 HydrophobicContact CB-CB 4.47Å; A546-V555 HydrophobicContact CB-CG2 3.46Å; A546-V555 VanDerWaalsContact CB-CG2 3.46Å; A546-L558 HydrophobicContact CB-CD1 3.81Å
547A93.2Very high91.7Very high0 Ų029.6 Ų29.60%015%0.15CC..Hα-helixtrans-73.8-48.6-179.900000112.8L543 M544 N549 G550 W552 V575 M579 W582L543-A547 WeakPolarHBondContact O-CB 3.37Å; L543-A547 PolarHBondContact O-N 3.17Å; L543-A547 VanDerWaalsContact O-N 3.12Å; M544-A547 PolarHBondContact O-N 3.37Å; A547-N549 VanDerWaalsContact C-N 3.26Å; A547-N549 PolarHBondContact O-N 2.63Å; A547-G550 PolarHBondContact O-N 3.08Å; A547-G550 VanDerWaalsContact O-N 3.08Å; A547-W552 HydrophobicContact CB-CH2 4.41Å; A547-V575 HydrophobicContact CB-CG2 3.87Å; A547-M579 HydrophobicContact CB-CG 3.89Å; A547-W582 WeakPolarHBondContact O-CB 3.32Å
548V90.9Very high92.3Very high43 Ų4325.1 Ų25.126%0.26113%0.128SC..Hα-helixtrans-66.4-28.3-177.973.90000112.6M544 Y578M544-V548 PolarHBondContact O-N 2.93Å; V548-Y578 HydrophobicContact CB-CD1 3.9Å; V548-Y578 HydrophobicContact CB-CG 4.34Å; V548-Y578 HydrophobicContact CG2-CD1 3.92Å
549N90.2Very high92.8Very high68 Ų6820.8 Ų20.836%0.36411%0.108SC..THydrogen-bonded Turntrans-92.44175.2-67.5-85.7000113.6N515 D545 A547 H551N515-N549 PolarHBondContact OD1-ND2 2.8Å; D545-N549 WeakPolarHBondContact O-CB 3.33Å; D545-N549 PolarHBondContact O-N 2.87Å; D545-N549 PolarHBondContact O-ND2 3.38Å; A547-N549 VanDerWaalsContact C-N 3.26Å; A547-N549 PolarHBondContact O-N 2.63Å; N549-H551 VanDerWaalsContact C-N 3.32Å; N549-H551 WeakPolarHBondContact CB-CD2 3.33Å; N549-H551 WeakPolarHBondContact CB-NE2 3.24Å; N549-H551 PolarHBondContact O-N 2.84Å
550G89.6Confident93.2Very high14 Ų1425.4 Ų25.414%0.14413%0.125CC..THydrogen-bonded Turntrans69.117.917700000116.6A546 A547 W552 W582A546-G550 PolarHBondContact O-N 3.24Å; A547-G550 PolarHBondContact O-N 3.08Å; A547-G550 VanDerWaalsContact O-N 3.08Å; G550-W552 VanDerWaalsContact C-N 3.28Å; G550-W552 PolarHBondContact O-N 3.41Å; G550-W552 PolarHBondContact O-NE1 3.33Å; G550-W582 VanDerWaalsContact CA-NE1 3.29Å
551H93.1Very high93.2Very high52 Ų5225.7 Ų25.724%0.24113%0.13CC..  trans-81.268.2-173.7-66.1-54.9000111.5V514 N515 G517 A546 N549 E553 V554 V555V514-H551 PolarHBondContact O-CD2 3.13Å; N515-H551 PolarHBondContact O-NE2 2.89Å; G517-H551 WeakPolarHBondContact CA-ND1 3.39Å; G517-H551 PolarHBondContact N-NE2 3.13Å; A546-H551 PolarHBondContact O-N 3.29Å; N549-H551 VanDerWaalsContact C-N 3.32Å; N549-H551 WeakPolarHBondContact CB-CD2 3.33Å; N549-H551 WeakPolarHBondContact CB-NE2 3.24Å; N549-H551 PolarHBondContact O-N 2.84Å; H551-E553 PolarHBondContact O-N 3.47Å; H551-V554 HydrophobicContact CB-CB 3.84Å; H551-V554 HydrophobicContact CB-CG2 4.03Å; H551-V554 CarbonylContact O-C 3.47Å; H551-V554 VanDerWaalsContact O-CA 3.32Å; H551-V554 WeakPolarHBondContact O-CA 3.32Å; H551-V554 VanDerWaalsContact O-CB 3.3Å; H551-V554 WeakPolarHBondContact O-CB 3.44Å; H551-V554 PolarHBondContact O-N 2.73Å; H551-V555 PolarHBondContact O-N 3.09Å
552W91.6Very high93Very high21 Ų2130.8 Ų30.88%0.0815%0.152CC..Hα-helixtrans-58.4-36.9-169.7-58.8118.3000115.1A547 G550 V554 V555 R556 M579 W582 E595 Y596 I599A547-W552 HydrophobicContact CB-CH2 4.41Å; G550-W552 VanDerWaalsContact C-N 3.28Å; G550-W552 PolarHBondContact O-N 3.41Å; G550-W552 PolarHBondContact O-NE1 3.33Å; W552-V554 VanDerWaalsContact C-N 3.28Å; W552-V554 PolarHBondContact O-N 2.92Å; W552-V555 HydrophobicContact CE3-CB 4.03Å; W552-V555 HydrophobicContact CE3-CG1 4.28Å; W552-V555 HydrophobicContact CE3-CG2 3.77Å; W552-V555 HydrophobicContact CZ3-CB 4.36Å; W552-V555 HydrophobicContact CZ3-CG1 4.35Å; W552-V555 HydrophobicContact CZ3-CG2 3.78Å; W552-V555 PolarHBondContact O-N 2.97Å; W552-R556 WeakPolarHBondContact O-CB 3.49Å; W552-R556 PolarHBondContact O-N 3.42Å; W552-M579 HydrophobicContact CE3-CE 4.42Å; W552-M579 HydrophobicContact CH2-CE 3.82Å; W552-M579 HydrophobicContact CH2-CG 3.86Å; W552-M579 HydrophobicContact CH2-SD 4.43Å; W552-M579 HydrophobicContact CZ3-CE 3.63Å; W552-M579 HydrophobicContact CZ3-CG 4.04Å; W552-M579 HydrophobicContact CZ3-SD 4.13Å; W552-W582 AromaticContact CE2-CH2 3.93Å; W552-W582 AromaticContact CE2-CZ3 3.88Å; W552-W582 HydrophobicContact CH2-CE3 4.43Å; W552-W582 AromaticContact CZ2-CD2 3.63Å; W552-W582 HydrophobicContact CZ2-CD2 3.63Å; W552-W582 AromaticContact CZ2-CE3 3.44Å; W552-W582 HydrophobicContact CZ2-CE3 3.44Å; W552-W582 VanDerWaalsContact CZ2-CE3 3.44Å; W552-W582 HydrophobicContact CZ2-CG 4.21Å; W552-W582 HydrophobicContact CZ2-CH2 4.12Å; W552-W582 HydrophobicContact CZ2-CZ2 4.31Å; W552-W582 AromaticContact CZ2-CZ3 3.69Å; W552-W582 HydrophobicContact CZ2-CZ3 3.69Å; W552-W582 AromaticContact NE1-CH2 3.17Å; W552-W582 AromaticContact NE1-CZ2 3.48Å; W552-W582 AromaticContact NE1-CZ3 3.56Å; W552-E595 HydrophobicContact CB-CG 4.19Å; W552-Y596 HydrophobicContact CD2-CD2 4.44Å; W552-Y596 AromaticContact CE2-CD2 3.78Å; W552-Y596 AromaticContact CH2-CD2 3.94Å; W552-Y596 HydrophobicContact CH2-CD2 3.94Å; W552-Y596 HydrophobicContact CH2-CE2 4.14Å; W552-Y596 AromaticContact CZ2-CD2 3.54Å; W552-Y596 HydrophobicContact CZ2-CD2 3.54Å; W552-Y596 HydrophobicContact CZ2-CE2 4Å; W552-Y596 HydrophobicContact CZ3-CD2 4.47Å; W552-I599 HydrophobicContact CB-CD1 3.9Å; W552-I599 HydrophobicContact CD2-CD1 4.45Å; W552-I599 HydrophobicContact CE3-CD1 3.89Å; W552-I599 HydrophobicContact CE3-CG2 4.08Å; W552-I599 HydrophobicContact CG-CD1 4.47Å; W552-I599 HydrophobicContact CZ3-CG2 4.22Å
553E91.9Very high92.8Very high80 Ų8030.9 Ų30.937%0.37415%0.153SC..Hα-helixtrans-59.2-37.8170174.966.3-154.500112H551 R556 L557H551-E553 PolarHBondContact O-N 3.47Å; E553-R556 IonicContact OE1-CZ 3.71Å; E553-R556 IonicContact OE1-NH2 2.87Å; E553-R556 PolarHBondContact OE1-NH2 3.15Å; E553-R556 IonicContact OE2-CZ 2.68Å; E553-R556 IonicContact OE2-NH1 3.95Å; E553-R556 PolarHBondContact OE2-NH1 3.28Å; E553-R556 IonicContact OE2-NH2 3.85Å; E553-R556 PolarHBondContact OE2-NH2 2.99Å; E553-L557 VanDerWaalsContact O-CG 3.3Å; E553-L557 WeakPolarHBondContact O-CG 3.38Å; E553-L557 PolarHBondContact O-N 2.99Å
554V95.6Very high92.5Very high2 Ų233.6 Ų33.61%0.01217%0.168CC..Hα-helixtrans-75.5-40176.8175.20000111.2V514 V522 A546 H551 W552 R556 L557 L558V514-V554 HydrophobicContact CB-CG1 4.22Å; V514-V554 HydrophobicContact CG1-CG1 3.98Å; V514-V554 HydrophobicContact CG2-CG1 3.8Å; V522-V554 HydrophobicContact CG1-CG1 4.25Å; V522-V554 HydrophobicContact CG2-CG1 4.18Å; V522-V554 HydrophobicContact CG2-CG2 4.38Å; A546-V554 HydrophobicContact CB-CB 4.43Å; A546-V554 HydrophobicContact CB-CG1 3.92Å; H551-V554 HydrophobicContact CB-CB 3.84Å; H551-V554 HydrophobicContact CB-CG2 4.03Å; H551-V554 CarbonylContact O-C 3.47Å; H551-V554 VanDerWaalsContact O-CA 3.32Å; H551-V554 WeakPolarHBondContact O-CA 3.32Å; H551-V554 VanDerWaalsContact O-CB 3.3Å; H551-V554 WeakPolarHBondContact O-CB 3.44Å; H551-V554 PolarHBondContact O-N 2.73Å; W552-V554 VanDerWaalsContact C-N 3.28Å; W552-V554 PolarHBondContact O-N 2.92Å; V554-R556 VanDerWaalsContact C-N 3.28Å; V554-R556 PolarHBondContact O-N 3.38Å; V554-L557 PolarHBondContact O-N 3.29Å; V554-L558 HydrophobicContact CG1-CD1 3.98Å; V554-L558 HydrophobicContact CG1-CG 4.46Å; V554-L558 WeakPolarHBondContact O-CB 3.15Å; V554-L558 VanDerWaalsContact O-CG 3.31Å; V554-L558 WeakPolarHBondContact O-CG 3.47Å; V554-L558 PolarHBondContact O-N 3.4Å
555V94.3Very high92.3Very high0 Ų034.1 Ų34.10%017%0.171CC..Hα-helixtrans-57.8-44171176.60000110.1L543 A546 H551 W552 L558 L559 I599L543-V555 HydrophobicContact CD1-CG1 3.98Å; A546-V555 HydrophobicContact CB-CB 4.47Å; A546-V555 HydrophobicContact CB-CG2 3.46Å; A546-V555 VanDerWaalsContact CB-CG2 3.46Å; H551-V555 PolarHBondContact O-N 3.09Å; W552-V555 HydrophobicContact CE3-CB 4.03Å; W552-V555 HydrophobicContact CE3-CG1 4.28Å; W552-V555 HydrophobicContact CE3-CG2 3.77Å; W552-V555 HydrophobicContact CZ3-CB 4.36Å; W552-V555 HydrophobicContact CZ3-CG1 4.35Å; W552-V555 HydrophobicContact CZ3-CG2 3.78Å; W552-V555 PolarHBondContact O-N 2.97Å; V555-L558 PolarHBondContact O-N 3.23Å; V555-L559 HydrophobicContact CG1-CD1 3.79Å; V555-L559 HydrophobicContact CG1-CG 4.3Å; V555-L559 WeakPolarHBondContact O-CB 3.45Å; V555-L559 VanDerWaalsContact O-CG 3.26Å; V555-L559 WeakPolarHBondContact O-CG 3.21Å; V555-L559 PolarHBondContact O-N 3.19Å; V555-I599 HydrophobicContact CB-CD1 4.36Å; V555-I599 HydrophobicContact CG1-CD1 4.27Å; V555-I599 HydrophobicContact CG1-CG2 3.65Å
556R93.3Very high91.9Very high81 Ų8136.8 Ų36.831%0.30619%0.19SC..Hα-helixtrans-64-46.5176.8-156.7-174.269.8-112.7-10.6111.8W552 E553 V554 L558 L559 E560 E595W552-R556 WeakPolarHBondContact O-CB 3.49Å; W552-R556 PolarHBondContact O-N 3.42Å; E553-R556 IonicContact OE1-CZ 3.71Å; E553-R556 IonicContact OE1-NH2 2.87Å; E553-R556 PolarHBondContact OE1-NH2 3.15Å; E553-R556 IonicContact OE2-CZ 2.68Å; E553-R556 IonicContact OE2-NH1 3.95Å; E553-R556 PolarHBondContact OE2-NH1 3.28Å; E553-R556 IonicContact OE2-NH2 3.85Å; E553-R556 PolarHBondContact OE2-NH2 2.99Å; V554-R556 VanDerWaalsContact C-N 3.28Å; V554-R556 PolarHBondContact O-N 3.38Å; R556-L558 VanDerWaalsContact C-N 3.29Å; R556-L558 PolarHBondContact O-N 2.81Å; R556-L559 PolarHBondContact O-N 3.1Å; R556-E560 IonicContact NE-OE1 2.8Å; R556-E560 PolarHBondContact NE-OE1 3.29Å; R556-E560 VanDerWaalsContact NE-OE1 3.09Å; R556-E560 WeakPolarHBondContact O-CB 3.16Å; R556-E560 VanDerWaalsContact O-CG 3.29Å; R556-E560 WeakPolarHBondContact O-CG 3.35Å; R556-E560 PolarHBondContact O-N 2.75Å; R556-E595 IonicContact CZ-OE1 2.66Å; R556-E595 IonicContact NH1-OE1 2.8Å; R556-E595 PolarHBondContact NH1-OE1 3.21Å
557L94.7Very high91.5Very high13 Ų1339.6 Ų39.67%0.06821%0.205CC..Hα-helixtrans-58.1-38.2174.1-74.9169.2000112.9K523 E553 V554 A561K523-L557 HydrophobicContact CB-CD1 4.42Å; K523-L557 HydrophobicContact CB-CD2 4.43Å; K523-L557 HydrophobicContact CD-CD2 4.04Å; E553-L557 VanDerWaalsContact O-CG 3.3Å; E553-L557 WeakPolarHBondContact O-CG 3.38Å; E553-L557 PolarHBondContact O-N 2.99Å; V554-L557 PolarHBondContact O-N 3.29Å; L557-A561 VanDerWaalsContact O-CB 3.23Å; L557-A561 WeakPolarHBondContact O-CB 3.3Å; L557-A561 PolarHBondContact O-N 3.46Å
558L95.3Very high91Very high0 Ų043.8 Ų43.80%022%0.22CC..Hα-helixtrans-71.5-38.4176-71.9167.6000112V514 I526 V532 P542 L543 A546 V554 V555 R556 A561 K562 A563V514-L558 HydrophobicContact CG2-CD1 4.32Å; I526-L558 HydrophobicContact CD1-CD2 4.06Å; V532-L558 HydrophobicContact CB-CD2 4.01Å; V532-L558 HydrophobicContact CG1-CD2 3.84Å; P542-L558 HydrophobicContact CB-CD1 4.15Å; P542-L558 HydrophobicContact CB-CD2 4.16Å; P542-L558 VanDerWaalsContact O-CD1 3.22Å; P542-L558 WeakPolarHBondContact O-CD1 3.46Å; L543-L558 HydrophobicContact CD1-CB 4.17Å; A546-L558 HydrophobicContact CB-CD1 3.81Å; V554-L558 HydrophobicContact CG1-CD1 3.98Å; V554-L558 HydrophobicContact CG1-CG 4.46Å; V554-L558 WeakPolarHBondContact O-CB 3.15Å; V554-L558 VanDerWaalsContact O-CG 3.31Å; V554-L558 WeakPolarHBondContact O-CG 3.47Å; V554-L558 PolarHBondContact O-N 3.4Å; V555-L558 PolarHBondContact O-N 3.23Å; R556-L558 VanDerWaalsContact C-N 3.29Å; R556-L558 PolarHBondContact O-N 2.81Å; L558-A561 CarbonylContact O-C 3.47Å; L558-A561 WeakPolarHBondContact O-CA 3.38Å; L558-A561 PolarHBondContact O-N 3.21Å; L558-K562 PolarHBondContact O-N 3.19Å; L558-K562 VanDerWaalsContact O-N 3.13Å; L558-A563 HydrophobicContact CB-CB 3.95Å; L558-A563 VanDerWaalsContact O-CB 3.31Å; L558-A563 WeakPolarHBondContact O-CB 3.17Å; L558-A563 PolarHBondContact O-N 3.32Å
559L92.8Very high90.8Very high15 Ų1542 Ų428%0.07921%0.21CC..Hα-helixtrans-72.3-30.5175.9-68.8172.8000113.4L543 V555 R556 K562 V565 I599 L603 R606L543-L559 HydrophobicContact CD1-CD2 4.15Å; L543-L559 HydrophobicContact CD1-CG 4.17Å; L543-L559 HydrophobicContact CD2-CD2 4.24Å; V555-L559 HydrophobicContact CG1-CD1 3.79Å; V555-L559 HydrophobicContact CG1-CG 4.3Å; V555-L559 WeakPolarHBondContact O-CB 3.45Å; V555-L559 VanDerWaalsContact O-CG 3.26Å; V555-L559 WeakPolarHBondContact O-CG 3.21Å; V555-L559 PolarHBondContact O-N 3.19Å; R556-L559 PolarHBondContact O-N 3.1Å; L559-K562 PolarHBondContact O-N 3.49Å; L559-V565 HydrophobicContact CD2-CG1 3.76Å; L559-I599 HydrophobicContact CD1-CG2 4.28Å; L559-L603 HydrophobicContact CD1-CD1 4.48Å; L559-L603 HydrophobicContact CD1-CD2 4.34Å; L559-L603 HydrophobicContact CD1-CG 4.28Å; L559-L603 HydrophobicContact CD2-CD2 3.84Å; L559-R606 PolarHBondContact O-NH2 3.46Å
560E92.5Very high90.1Very high115 Ų11542.7 Ų42.754%0.53721%0.213SC..Hα-helixtrans-64.5-42.1165.8-74.4171.2-150.100110.4R556 K562R556-E560 IonicContact NE-OE1 2.8Å; R556-E560 PolarHBondContact NE-OE1 3.29Å; R556-E560 VanDerWaalsContact NE-OE1 3.09Å; R556-E560 WeakPolarHBondContact O-CB 3.16Å; R556-E560 VanDerWaalsContact O-CG 3.29Å; R556-E560 WeakPolarHBondContact O-CG 3.35Å; R556-E560 PolarHBondContact O-N 2.75Å; E560-K562 PolarHBondContact O-N 3.11Å
561A91.8Very high89.5Confident28 Ų2846 Ų4623%0.23123%0.231CC..THydrogen-bonded Turntrans-77.89.3175.500000115.1I526 V532 L557 L558I526-A561 HydrophobicContact CD1-CB 3.98Å; I526-A561 HydrophobicContact CG2-CB 3.65Å; V532-A561 HydrophobicContact CG1-CB 4.08Å; L557-A561 VanDerWaalsContact O-CB 3.23Å; L557-A561 WeakPolarHBondContact O-CB 3.3Å; L557-A561 PolarHBondContact O-N 3.46Å; L558-A561 CarbonylContact O-C 3.47Å; L558-A561 WeakPolarHBondContact O-CA 3.38Å; L558-A561 PolarHBondContact O-N 3.21Å
562K89.3Confident88.6Confident109 Ų10944.4 Ų44.447%0.47423%0.225SC..THydrogen-bonded Turntrans60.140.1-179.7-48.6-179.2-178.8-177.70115.4L558 L559 E560 D564 S618L558-K562 PolarHBondContact O-N 3.19Å; L558-K562 VanDerWaalsContact O-N 3.13Å; L559-K562 PolarHBondContact O-N 3.49Å; E560-K562 PolarHBondContact O-N 3.11Å; K562-D564 PolarHBondContact O-N 2.95Å; K562-S618 VanDerWaalsContact CE-OG 3.29Å; K562-S618 WeakPolarHBondContact CE-OG 3.42Å; K562-S618 PolarHBondContact NZ-O 2.71Å; K562-S618 PolarHBondContact NZ-OG 3.29Å
563A90.7Very high88.2Confident3 Ų346.8 Ų46.83%0.02523%0.234CC..  trans-56138166.800000111.1V532 N533 L543 L558 V565V532-A563 HydrophobicContact CB-CB 4.46Å; V532-A563 HydrophobicContact CG2-CB 4.43Å; N533-A563 VanDerWaalsContact OD1-CA 3.23Å; N533-A563 WeakPolarHBondContact OD1-CA 3.14Å; L543-A563 HydrophobicContact CB-CB 4.13Å; L543-A563 HydrophobicContact CD1-CB 4.42Å; L543-A563 HydrophobicContact CD2-CB 4.12Å; L543-A563 HydrophobicContact CG-CB 4.45Å; L558-A563 HydrophobicContact CB-CB 3.95Å; L558-A563 VanDerWaalsContact O-CB 3.31Å; L558-A563 WeakPolarHBondContact O-CB 3.17Å; L558-A563 PolarHBondContact O-N 3.32Å; A563-V565 PolarHBondContact O-N 3.43Å
564D87.8Confident88Confident58 Ų5843.1 Ų43.131%0.3122%0.217SC..  trans-81117.8-176.2-173.8-11.4000110.4N533 K562 S566 L567N533-D564 PolarHBondContact OD1-N 2.93Å; K562-D564 PolarHBondContact O-N 2.95Å; D564-S566 VanDerWaalsContact C-N 3.34Å; D564-S566 WeakPolarHBondContact OD1-CB 3.49Å; D564-S566 PolarHBondContact OD1-N 2.97Å; D564-S566 PolarHBondContact OD1-OG 3.06Å; D564-S566 PolarHBondContact OD2-OG 2.77Å; D564-L567 HydrophobicContact CB-CD1 3.9Å; D564-L567 HydrophobicContact CB-CG 3.98Å
565V90.9Very high87.8Confident13 Ų1343.1 Ų43.18%0.07922%0.217CC..SBendtrans-83.7-13.1-174.6-48.40000112.7L543 L559 A563 V575 L603 R606 L607L543-V565 HydrophobicContact CD2-CB 4.4Å; L543-V565 HydrophobicContact CD2-CG1 3.98Å; L559-V565 HydrophobicContact CD2-CG1 3.76Å; A563-V565 PolarHBondContact O-N 3.43Å; V565-V575 HydrophobicContact CB-CG1 4.34Å; V565-L603 HydrophobicContact CB-CD2 3.78Å; V565-L603 HydrophobicContact CG1-CD2 3.37Å; V565-R606 HydrophobicContact CG2-CB 3.81Å; V565-L607 HydrophobicContact CG2-CD2 4.32Å; V565-L607 HydrophobicContact CG2-CG 4.05Å
566S86.7Confident87.6Confident58 Ų5844.4 Ų44.441%0.40622%0.224SC..SBendtrans-88.6-16.5-174.772.60000113.6D564D564-S566 VanDerWaalsContact C-N 3.34Å; D564-S566 WeakPolarHBondContact OD1-CB 3.49Å; D564-S566 PolarHBondContact OD1-N 2.97Å; D564-S566 PolarHBondContact OD1-OG 3.06Å; D564-S566 PolarHBondContact OD2-OG 2.77Å
567L84.7Confident87.4Confident59 Ų5943.3 Ų43.331%0.30922%0.224SC..  trans-61152.5176.7-63.3176.6000111.6N533 T541 M544 D564N533-L567 HydrophobicContact CB-CD1 4.11Å; T541-L567 HydrophobicContact CG2-CB 4.06Å; T541-L567 HydrophobicContact CG2-CD1 3.79Å; M544-L567 HydrophobicContact CE-CB 4.19Å; M544-L567 WeakPolarHBondContact CE-O 3.04Å; D564-L567 HydrophobicContact CB-CD1 3.9Å; D564-L567 HydrophobicContact CB-CG 3.98Å
568R84.4Confident87.2Confident88 Ų8842.9 Ų42.933%0.33222%0.222SC..BIsolated β-bridgetrans-134.5153.2179.9-68.7177.7175.8-77.8-13.4111.2C572 R573 D577R568-C572 VanDerWaalsContact CD-O 3.31Å; R568-C572 WeakPolarHBondContact CD-O 3.17Å; R568-C572 PolarHBondContact NH1-O 2.73Å; R568-R573 CarbonylContact C-O 3.6Å; R568-R573 WeakPolarHBondContact CA-O 3.03Å; R568-R573 WeakPolarHBondContact CB-O 3.17Å; R568-D577 IonicContact NH1-OD2 3.6Å; R568-D577 PolarHBondContact NH1-OD2 2.91Å
569D85.7Confident87Confident6 Ų642.9 Ų42.93%0.03222%0.222CC..  trans-74.3178.4175.488.4-34.3000111.9Q538 T571 C572 R573 Y578Q538-D569 WeakPolarHBondContact O-CB 3.5Å; D569-T571 VanDerWaalsContact CG-N 3.28Å; D569-T571 PolarHBondContact O-N 2.9Å; D569-T571 VanDerWaalsContact O-N 3.1Å; D569-T571 VanDerWaalsContact OD1-C 3.24Å; D569-T571 VanDerWaalsContact OD1-CA 3.29Å; D569-T571 WeakPolarHBondContact OD1-CA 3.45Å; D569-T571 PolarHBondContact OD1-N 2.72Å; D569-T571 PolarHBondContact OD1-OG1 2.84Å; D569-T571 PolarHBondContact OD2-N 3.24Å; D569-T571 PolarHBondContact OD2-OG1 3.29Å; D569-C572 PolarHBondContact O-N 3.38Å; D569-C572 PolarHBondContact OD1-N 2.66Å; D569-R573 PolarHBondContact N-O 3.41Å; D569-R573 WeakPolarHBondContact OD1-CB 3.36Å; D569-R573 PolarHBondContact OD1-N 2.74Å; D569-R573 IonicContact OD2-NE 3.2Å; D569-R573 IonicContact OD2-NH2 3.24Å; D569-R573 PolarHBondContact OD2-NH2 3.45Å; D569-Y578 WeakPolarHBondContact CB-OH 3.5Å; D569-Y578 PolarHBondContact OD2-OH 2.89Å
570D76.6Confident86.8Confident82 Ų8244.4 Ų44.444%0.43923%0.23SC..THydrogen-bonded Turntrans-59.4-17.7175.2-92.5-5.3000113.3K147 Q538K147-D570 IonicContact NZ-OD1 3.14Å; K147-D570 PolarHBondContact NZ-OD1 3.09Å; K147-D570 VanDerWaalsContact NZ-OD1 3.08Å; K147-D570 IonicContact NZ-OD2 3.73Å; K147-D570 PolarHBondContact NZ-OD2 2.8Å; Q538-D570 WeakPolarHBondContact O-CB 3.18Å; Q538-D570 PolarHBondContact O-N 2.92Å
571T75.8Confident86.5Confident83 Ų8342.6 Ų42.651%0.50922%0.222SC..THydrogen-bonded Turntrans-98.36177.1720000113.6D569 R573D569-T571 VanDerWaalsContact CG-N 3.28Å; D569-T571 PolarHBondContact O-N 2.9Å; D569-T571 VanDerWaalsContact O-N 3.1Å; D569-T571 VanDerWaalsContact OD1-C 3.24Å; D569-T571 VanDerWaalsContact OD1-CA 3.29Å; D569-T571 WeakPolarHBondContact OD1-CA 3.45Å; D569-T571 PolarHBondContact OD1-N 2.72Å; D569-T571 PolarHBondContact OD1-OG1 2.84Å; D569-T571 PolarHBondContact OD2-N 3.24Å; D569-T571 PolarHBondContact OD2-OG1 3.29Å; T571-R573 VanDerWaalsContact C-N 3.33Å; T571-R573 PolarHBondContact OG1-NE 3.23Å; T571-R573 VanDerWaalsContact OG1-NE 3.15Å
572C74.4Confident86.4Confident18 Ų1843.4 Ų43.412%0.12222%0.218CC..SBendtrans68.715.5-175.2-36.50000115.3C145 R568 D569C145-C572 WeakPolarHBondContact CB-SG 2.72Å; C145-C572 WeakPolarHBondContact SG-CB 3.37Å; C145-C572 CovalentContact SG-SG 2.04Å; C145-C572 PolarHBondContact SG-SG 3.46Å; R568-C572 VanDerWaalsContact CD-O 3.31Å; R568-C572 WeakPolarHBondContact CD-O 3.17Å; R568-C572 PolarHBondContact NH1-O 2.73Å; D569-C572 PolarHBondContact O-N 3.38Å; D569-C572 PolarHBondContact OD1-N 2.66Å
573R83.3Confident86.2Confident71 Ų7139.2 Ų39.227%0.26820%0.204SC..  trans-75.5144.1171.1-74.4-176-68.6172.6-1111.7R568 D569 T571 D577 Y578 E581R568-R573 CarbonylContact C-O 3.6Å; R568-R573 WeakPolarHBondContact CA-O 3.03Å; R568-R573 WeakPolarHBondContact CB-O 3.17Å; D569-R573 PolarHBondContact N-O 3.41Å; D569-R573 WeakPolarHBondContact OD1-CB 3.36Å; D569-R573 PolarHBondContact OD1-N 2.74Å; D569-R573 IonicContact OD2-NE 3.2Å; D569-R573 IonicContact OD2-NH2 3.24Å; D569-R573 PolarHBondContact OD2-NH2 3.45Å; T571-R573 VanDerWaalsContact C-N 3.33Å; T571-R573 PolarHBondContact OG1-NE 3.23Å; T571-R573 VanDerWaalsContact OG1-NE 3.15Å; R573-D577 HydrophobicContact CB-CB 4.06Å; R573-D577 HydrophobicContact CG-CB 4.16Å; R573-Y578 HydrophobicContact CB-CE2 3.87Å; R573-Y578 PolarHBondContact NE-OH 3.08Å; R573-Y578 PolarHBondContact NH2-OH 3.4Å; R573-E581 IonicContact CZ-OE2 3.97Å; R573-E581 IonicContact NH1-OE1 3.84Å; R573-E581 PolarHBondContact NH1-OE1 3.1Å; R573-E581 IonicContact NH1-OE2 2.69Å; R573-E581 PolarHBondContact NH1-OE2 2.8Å
574S88.6Confident85.7Confident4 Ų445.4 Ų45.43%0.02824%0.237CC..BIsolated β-bridgetrans-108172.8177.165.70000112.3L576 D577 Y578S574-L576 PolarHBondContact O-N 3.33Å; S574-D577 WeakPolarHBondContact CA-OD2 3.21Å; S574-D577 WeakPolarHBondContact CB-OD2 3.46Å; S574-D577 PolarHBondContact N-OD2 3.29Å; S574-D577 WeakPolarHBondContact O-CA 3.39Å; S574-D577 WeakPolarHBondContact O-CB 3.5Å; S574-D577 PolarHBondContact O-N 3.2Å; S574-D577 PolarHBondContact OG-OD2 3.3Å; S574-Y578 WeakPolarHBondContact O-CD2 3.33Å; S574-Y578 PolarHBondContact O-N 3.13Å; S574-Y578 VanDerWaalsContact O-N 3.16Å
575V89.7Confident85.4Confident2 Ų245.9 Ų45.91%0.01225%0.245CC..Hα-helixtrans-52.6-36174.263.50000113.3L543 A547 V565 D577 Y578 M579 L603 L607L543-V575 HydrophobicContact CD1-CG2 4.47Å; L543-V575 HydrophobicContact CD2-CB 4.32Å; L543-V575 HydrophobicContact CD2-CG1 4.43Å; L543-V575 HydrophobicContact CD2-CG2 4.14Å; L543-V575 HydrophobicContact CG-CB 4.37Å; L543-V575 HydrophobicContact CG-CG2 3.81Å; A547-V575 HydrophobicContact CB-CG2 3.87Å; V565-V575 HydrophobicContact CB-CG1 4.34Å; V575-D577 VanDerWaalsContact C-N 3.33Å; V575-Y578 PolarHBondContact O-N 3.06Å; V575-M579 WeakPolarHBondContact O-CG 3.32Å; V575-M579 PolarHBondContact O-N 3.33Å; V575-L603 HydrophobicContact CG1-CD1 4.33Å; V575-L603 HydrophobicContact CG1-CD2 3.95Å; V575-L603 HydrophobicContact CG2-CD1 3.95Å; V575-L607 HydrophobicContact CG1-CD1 4.27Å
576L90.9Very high84.7Confident27 Ų2747.3 Ų47.314%0.14125%0.252CS..Hα-helixtrans-69.7-31.5176.6-75.1-178.8000112.7S574 M579 N580 R600 L603 E604 L607S574-L576 PolarHBondContact O-N 3.33Å; L576-M579 HydrophobicContact CD2-SD 4.19Å; L576-M579 PolarHBondContact O-N 3.36Å; L576-N580 VanDerWaalsContact O-CG 3.26Å; L576-N580 PolarHBondContact O-N 3.44Å; L576-N580 PolarHBondContact O-ND2 2.93Å; L576-N580 VanDerWaalsContact O-ND2 3.14Å; L576-R600 HydrophobicContact CD2-CG 4.48Å; L576-L603 HydrophobicContact CD2-CB 3.86Å; L576-E604 HydrophobicContact CD1-CG 3.82Å; L576-E604 HydrophobicContact CD2-CG 4.08Å; L576-L607 HydrophobicContact CB-CD1 4.48Å; L576-L607 HydrophobicContact CD1-CD1 3.5Å; L576-L607 HydrophobicContact CG-CD1 3.62Å
577D88.9Confident83.6Confident58 Ų5848.6 Ų48.631%0.3125%0.251SS..Hα-helixtrans-68.7-39.9177.5-53.3-55.4000109.3R568 R573 S574 V575 N580 E581R568-D577 IonicContact NH1-OD2 3.6Å; R568-D577 PolarHBondContact NH1-OD2 2.91Å; R573-D577 HydrophobicContact CB-CB 4.06Å; R573-D577 HydrophobicContact CG-CB 4.16Å; S574-D577 WeakPolarHBondContact CA-OD2 3.21Å; S574-D577 WeakPolarHBondContact CB-OD2 3.46Å; S574-D577 PolarHBondContact N-OD2 3.29Å; S574-D577 WeakPolarHBondContact O-CA 3.39Å; S574-D577 WeakPolarHBondContact O-CB 3.5Å; S574-D577 PolarHBondContact O-N 3.2Å; S574-D577 PolarHBondContact OG-OD2 3.3Å; V575-D577 VanDerWaalsContact C-N 3.33Å; D577-N580 PolarHBondContact O-N 3.08Å; D577-E581 WeakPolarHBondContact O-CB 3.37Å; D577-E581 PolarHBondContact O-N 3.14Å
578Y90.9Very high82.4Confident4 Ų449.6 Ų49.62%0.01626%0.261CS..Hα-helixtrans-70.2-28.5170.4-66.4-69000114.6L540 M544 V548 D569 R573 S574 V575 N580 E581 W582L540-Y578 HydrophobicContact CD2-CE1 3.9Å; L540-Y578 HydrophobicContact CD2-CE2 3.85Å; L540-Y578 VanDerWaalsContact CD2-CZ 3.41Å; L540-Y578 VanDerWaalsContact CD2-OH 3.28Å; L540-Y578 WeakPolarHBondContact CD2-OH 3.5Å; M544-Y578 HydrophobicContact CB-CD2 3.71Å; M544-Y578 HydrophobicContact CB-CE2 3.89Å; M544-Y578 HydrophobicContact CB-CG 4.39Å; M544-Y578 HydrophobicContact CG-CD2 3.71Å; M544-Y578 HydrophobicContact CG-CE2 3.81Å; M544-Y578 HydrophobicContact SD-CE2 4.03Å; V548-Y578 HydrophobicContact CB-CD1 3.9Å; V548-Y578 HydrophobicContact CB-CG 4.34Å; V548-Y578 HydrophobicContact CG2-CD1 3.92Å; D569-Y578 WeakPolarHBondContact CB-OH 3.5Å; D569-Y578 PolarHBondContact OD2-OH 2.89Å; R573-Y578 HydrophobicContact CB-CE2 3.87Å; R573-Y578 PolarHBondContact NE-OH 3.08Å; R573-Y578 PolarHBondContact NH2-OH 3.4Å; S574-Y578 WeakPolarHBondContact O-CD2 3.33Å; S574-Y578 PolarHBondContact O-N 3.13Å; S574-Y578 VanDerWaalsContact O-N 3.16Å; V575-Y578 PolarHBondContact O-N 3.06Å; Y578-N580 VanDerWaalsContact C-N 3.35Å; Y578-E581 VanDerWaalsContact CD1-OE2 3.31Å; Y578-E581 WeakPolarHBondContact CD1-OE2 3.26Å; Y578-W582 WeakPolarHBondContact O-CB 3.3Å; Y578-W582 PolarHBondContact O-N 3.37Å
579M91.7Very high81Confident0 Ų053.2 Ų53.20%029%0.287CS..Hα-helixtrans-75-23.8171.6-75.6-166.971.800113.4A547 W552 V575 L576 A583 Y596 I599 R600 L603A547-M579 HydrophobicContact CB-CG 3.89Å; W552-M579 HydrophobicContact CE3-CE 4.42Å; W552-M579 HydrophobicContact CH2-CE 3.82Å; W552-M579 HydrophobicContact CH2-CG 3.86Å; W552-M579 HydrophobicContact CH2-SD 4.43Å; W552-M579 HydrophobicContact CZ3-CE 3.63Å; W552-M579 HydrophobicContact CZ3-CG 4.04Å; W552-M579 HydrophobicContact CZ3-SD 4.13Å; V575-M579 WeakPolarHBondContact O-CG 3.32Å; V575-M579 PolarHBondContact O-N 3.33Å; L576-M579 HydrophobicContact CD2-SD 4.19Å; L576-M579 PolarHBondContact O-N 3.36Å; M579-A583 WeakPolarHBondContact O-CB 3.23Å; M579-A583 PolarHBondContact O-N 3.05Å; M579-Y596 HydrophobicContact CB-CE2 4.32Å; M579-Y596 HydrophobicContact CE-CD2 3.63Å; M579-Y596 HydrophobicContact CE-CE1 4.45Å; M579-Y596 HydrophobicContact CE-CE2 3.39Å; M579-Y596 HydrophobicContact CE-CG 4.29Å; M579-Y596 WeakPolarHBondContact O-CE2 3.37Å; M579-Y596 PolarHBondContact O-OH 3.36Å; M579-I599 HydrophobicContact CE-CG2 4Å; M579-I599 HydrophobicContact SD-CG2 4.19Å; M579-R600 HydrophobicContact CE-CB 3.72Å; M579-R600 HydrophobicContact CE-CG 4.42Å; M579-L603 HydrophobicContact SD-CD1 3.32Å; M579-L603 WeakPolarHBondContact SD-CD1 3.38Å
580N87.5Confident80.2Confident46 Ų4656.3 Ų56.325%0.24631%0.307CS..Hα-helixtrans-76.1-52.5166.6-64.7-37.3000108.1L576 D577 Y578 W582 A583 D584 R600L576-N580 VanDerWaalsContact O-CG 3.26Å; L576-N580 PolarHBondContact O-N 3.44Å; L576-N580 PolarHBondContact O-ND2 2.93Å; L576-N580 VanDerWaalsContact O-ND2 3.14Å; D577-N580 PolarHBondContact O-N 3.08Å; Y578-N580 VanDerWaalsContact C-N 3.35Å; N580-W582 CarbonylContact O-C 3.45Å; N580-W582 PolarHBondContact O-N 2.9Å; N580-A583 CarbonylContact O-C 3.56Å; N580-A583 WeakPolarHBondContact O-CA 3.5Å; N580-A583 PolarHBondContact O-N 3.05Å; N580-D584 VanDerWaalsContact C-OD2 3.26Å; N580-D584 WeakPolarHBondContact O-CB 3.34Å; N580-D584 PolarHBondContact O-N 2.82Å; N580-D584 VanDerWaalsContact O-OD2 3.14Å; N580-R600 VanDerWaalsContact OD1-CZ 3.31Å; N580-R600 PolarHBondContact OD1-NH1 3.42Å; N580-R600 PolarHBondContact OD1-NH2 3.37Å; N580-R600 VanDerWaalsContact OD1-NH2 3.09Å
581E86.6Confident79.9Confident78 Ų7861.3 Ų61.336%0.36433%0.327SS..Hα-helixtrans-48.9-39.1176.5-166.1169.9163.800113.2R573 D577 Y578 S585R573-E581 IonicContact CZ-OE2 3.97Å; R573-E581 IonicContact NH1-OE1 3.84Å; R573-E581 PolarHBondContact NH1-OE1 3.1Å; R573-E581 IonicContact NH1-OE2 2.69Å; R573-E581 PolarHBondContact NH1-OE2 2.8Å; D577-E581 WeakPolarHBondContact O-CB 3.37Å; D577-E581 PolarHBondContact O-N 3.14Å; Y578-E581 VanDerWaalsContact CD1-OE2 3.31Å; Y578-E581 WeakPolarHBondContact CD1-OE2 3.26Å; E581-S585 WeakPolarHBondContact O-CB 3.33Å; E581-S585 PolarHBondContact O-N 2.86Å; E581-S585 VanDerWaalsContact O-N 3.09Å; E581-S585 PolarHBondContact O-OG 3.38Å
582W89.8Confident79.9Confident44 Ų4460.1 Ų60.117%0.16732%0.317CS..Hα-helixtrans-73.8-37.5171.9179.680.9000114.9A547 G550 W552 Y578 N580 D584 S585 L586 L592 Y596A547-W582 WeakPolarHBondContact O-CB 3.32Å; G550-W582 VanDerWaalsContact CA-NE1 3.29Å; W552-W582 AromaticContact CE2-CH2 3.93Å; W552-W582 AromaticContact CE2-CZ3 3.88Å; W552-W582 HydrophobicContact CH2-CE3 4.43Å; W552-W582 AromaticContact CZ2-CD2 3.63Å; W552-W582 HydrophobicContact CZ2-CD2 3.63Å; W552-W582 AromaticContact CZ2-CE3 3.44Å; W552-W582 HydrophobicContact CZ2-CE3 3.44Å; W552-W582 VanDerWaalsContact CZ2-CE3 3.44Å; W552-W582 HydrophobicContact CZ2-CG 4.21Å; W552-W582 HydrophobicContact CZ2-CH2 4.12Å; W552-W582 HydrophobicContact CZ2-CZ2 4.31Å; W552-W582 AromaticContact CZ2-CZ3 3.69Å; W552-W582 HydrophobicContact CZ2-CZ3 3.69Å; W552-W582 AromaticContact NE1-CH2 3.17Å; W552-W582 AromaticContact NE1-CZ2 3.48Å; W552-W582 AromaticContact NE1-CZ3 3.56Å; Y578-W582 WeakPolarHBondContact O-CB 3.3Å; Y578-W582 PolarHBondContact O-N 3.37Å; N580-W582 CarbonylContact O-C 3.45Å; N580-W582 PolarHBondContact O-N 2.9Å; W582-D584 VanDerWaalsContact C-N 3.34Å; W582-S585 WeakPolarHBondContact CA-OG 3.49Å; W582-S585 CarbonylContact O-C 3.57Å; W582-S585 VanDerWaalsContact O-C 3.27Å; W582-S585 PolarHBondContact O-N 2.9Å; W582-S585 PolarHBondContact O-OG 3.22Å; W582-S585 VanDerWaalsContact O-OG 3.06Å; W582-L586 HydrophobicContact CE3-CD1 4.12Å; W582-L586 HydrophobicContact CE3-CG 4.3Å; W582-L586 HydrophobicContact CH2-CD1 3.68Å; W582-L586 HydrophobicContact CH2-CD2 4.03Å; W582-L586 HydrophobicContact CH2-CG 4.14Å; W582-L586 HydrophobicContact CZ2-CD1 4.32Å; W582-L586 HydrophobicContact CZ2-CD2 3.85Å; W582-L586 HydrophobicContact CZ2-CG 4.3Å; W582-L586 HydrophobicContact CZ3-CD1 3.55Å; W582-L586 HydrophobicContact CZ3-CG 4.13Å; W582-L586 PolarHBondContact O-N 3.07Å; W582-L592 HydrophobicContact CZ3-CD2 4.31Å; W582-Y596 AromaticContact CE3-CD2 3.75Å; W582-Y596 HydrophobicContact CE3-CD2 3.75Å; W582-Y596 AromaticContact CE3-CE2 3.69Å; W582-Y596 HydrophobicContact CE3-CE2 3.69Å; W582-Y596 HydrophobicContact CH2-CD2 4.44Å; W582-Y596 AromaticContact CZ3-CD2 3.4Å; W582-Y596 HydrophobicContact CZ3-CD2 3.4Å; W582-Y596 AromaticContact CZ3-CE2 3.79Å; W582-Y596 HydrophobicContact CZ3-CE2 3.79Å; W582-Y596 HydrophobicContact CZ3-CG 4.13Å
583A85Confident80.1Confident21 Ų2164.8 Ų64.817%0.17434%0.341CS..Hα-helixtrans-77-24178.300000112.8M579 N580 S585 L586 L592 Y596M579-A583 WeakPolarHBondContact O-CB 3.23Å; M579-A583 PolarHBondContact O-N 3.05Å; N580-A583 CarbonylContact O-C 3.56Å; N580-A583 WeakPolarHBondContact O-CA 3.5Å; N580-A583 PolarHBondContact O-N 3.05Å; A583-S585 VanDerWaalsContact C-N 3.33Å; A583-L586 PolarHBondContact O-N 2.96Å; A583-L592 HydrophobicContact CB-CD2 4Å; A583-Y596 HydrophobicContact CB-CE2 4.15Å; A583-Y596 WeakPolarHBondContact CB-OH 3.33Å
584D81.2Confident79.9Confident133 Ų13369.4 Ų69.471%0.71137%0.366SS*.THydrogen-bonded Turntrans-81.1-18.1170.3-56.9-30.3000110.5N580 W582N580-D584 VanDerWaalsContact C-OD2 3.26Å; N580-D584 WeakPolarHBondContact O-CB 3.34Å; N580-D584 PolarHBondContact O-N 2.82Å; N580-D584 VanDerWaalsContact O-OD2 3.14Å; W582-D584 VanDerWaalsContact C-N 3.34Å
585S79.9Confident79.6Confident69 Ų6972.6 Ų72.648%0.48338%0.38SS..THydrogen-bonded Turntrans-99.326.3165.784.70000113.1E581 W582 A583E581-S585 WeakPolarHBondContact O-CB 3.33Å; E581-S585 PolarHBondContact O-N 2.86Å; E581-S585 VanDerWaalsContact O-N 3.09Å; E581-S585 PolarHBondContact O-OG 3.38Å; W582-S585 WeakPolarHBondContact CA-OG 3.49Å; W582-S585 CarbonylContact O-C 3.57Å; W582-S585 VanDerWaalsContact O-C 3.27Å; W582-S585 PolarHBondContact O-N 2.9Å; W582-S585 PolarHBondContact O-OG 3.22Å; W582-S585 VanDerWaalsContact O-OG 3.06Å; A583-S585 VanDerWaalsContact C-N 3.33Å
586L76.7Confident79.5Confident42 Ų4272.5 Ų72.522%0.2238%0.38CS..SBendtrans-104.6145.7161.4-74.3-179.8000108.8W582 A583 V590 L592W582-L586 HydrophobicContact CE3-CD1 4.12Å; W582-L586 HydrophobicContact CE3-CG 4.3Å; W582-L586 HydrophobicContact CH2-CD1 3.68Å; W582-L586 HydrophobicContact CH2-CD2 4.03Å; W582-L586 HydrophobicContact CH2-CG 4.14Å; W582-L586 HydrophobicContact CZ2-CD1 4.32Å; W582-L586 HydrophobicContact CZ2-CD2 3.85Å; W582-L586 HydrophobicContact CZ2-CG 4.3Å; W582-L586 HydrophobicContact CZ3-CD1 3.55Å; W582-L586 HydrophobicContact CZ3-CG 4.13Å; W582-L586 PolarHBondContact O-N 3.07Å; A583-L586 PolarHBondContact O-N 2.96Å; L586-V590 HydrophobicContact CB-CB 4.43Å; L586-V590 HydrophobicContact CD1-CB 4.46Å; L586-V590 HydrophobicContact CD1-CG1 4.01Å; L586-L592 HydrophobicContact CD1-CD2 3.61Å
587E64.1Low79.3Confident85 Ų8573.9 Ų73.940%0.39739%0.387SS..  trans-53.2135.6174.2-69.5176.8-12900111.4N589 V590 E999E587-N589 PolarHBondContact O-N 3.31Å; E587-V590 HydrophobicContact CB-CG2 3.96Å; E587-V590 VanDerWaalsContact O-CG2 3.3Å; E587-V590 WeakPolarHBondContact O-CG2 3.4Å; E587-V590 PolarHBondContact O-N 2.78Å; E587-V590 VanDerWaalsContact O-N 3.09Å; E587-E999 HydrophobicContact CG-CG 4.46Å
588P58.1Low79.3Confident80 Ų8074 Ų7452%0.51939%0.392SS..THydrogen-bonded Turntrans-54.2131.1177.3-28.335.4000112.2
589N55.5Low79.3Confident164 Ų16474.2 Ų74.288%0.87739%0.394SS*.THydrogen-bonded Turntrans80.56.8-175.3-42.3-82.7000116.9E587 E591E587-N589 PolarHBondContact O-N 3.31Å; N589-E591 PolarHBondContact O-N 3.38Å
590V68.5Low79.2Confident72 Ų7277.4 Ų77.444%0.43641%0.406SS..  trans-59.9121.1163.2171.40000109.4L586 E587 L592L586-V590 HydrophobicContact CB-CB 4.43Å; L586-V590 HydrophobicContact CD1-CB 4.46Å; L586-V590 HydrophobicContact CD1-CG1 4.01Å; E587-V590 HydrophobicContact CB-CG2 3.96Å; E587-V590 VanDerWaalsContact O-CG2 3.3Å; E587-V590 WeakPolarHBondContact O-CG2 3.4Å; E587-V590 PolarHBondContact O-N 2.78Å; E587-V590 VanDerWaalsContact O-N 3.09Å; V590-L592 PolarHBondContact O-N 2.98Å
591E70.1Confident79.3Confident186 Ų18682.4 Ų82.487%0.86942%0.421SS*.  trans-64.4109.8171-80.3-156.9155.300109.1N589 D593N589-E591 PolarHBondContact O-N 3.38Å; E591-D593 PolarHBondContact O-N 2.94Å
592L76.7Confident79.3Confident58 Ų5881.2 Ų81.230%0.30442%0.419SS..  trans-54.6115.1176.4-72.8168000110.4W582 A583 L586 V590 Y596 L597W582-L592 HydrophobicContact CZ3-CD2 4.31Å; A583-L592 HydrophobicContact CB-CD2 4Å; L586-L592 HydrophobicContact CD1-CD2 3.61Å; V590-L592 PolarHBondContact O-N 2.98Å; L592-Y596 HydrophobicContact CB-CD1 3.93Å; L592-Y596 HydrophobicContact CB-CE1 4.44Å; L592-Y596 HydrophobicContact CD1-CD1 4.19Å; L592-Y596 HydrophobicContact CD1-CE1 3.85Å; L592-Y596 HydrophobicContact CD2-CD1 3.82Å; L592-Y596 HydrophobicContact CD2-CE1 3.85Å; L592-Y596 HydrophobicContact CD2-CG 4.2Å; L592-Y596 HydrophobicContact CG-CD1 4.21Å; L592-Y596 HydrophobicContact CG-CE1 4.28Å; L592-L597 HydrophobicContact CB-CD1 4.37Å; L592-L597 HydrophobicContact CB-CD2 3.96Å; L592-L597 HydrophobicContact CB-CG 3.98Å; L592-L597 HydrophobicContact CD1-CD2 4.26Å; L592-L597 WeakPolarHBondContact O-CD1 3.28Å; L592-L597 WeakPolarHBondContact O-CG 3.22Å
593D78.2Confident79.2Confident116 Ų11679.1 Ų79.162%0.6241%0.411SS*.  trans-51.5146.6-171.3-127.1-30000112.4E591 E595 Y596 L597E591-D593 PolarHBondContact O-N 2.94Å; D593-E595 PolarHBondContact O-N 3.08Å; D593-Y596 WeakPolarHBondContact O-CB 3.47Å; D593-Y596 PolarHBondContact O-N 2.84Å; D593-L597 PolarHBondContact O-N 2.92Å
594Q80.4Confident79.3Confident168 Ų16880.5 Ų80.579%0.78541%0.414SS*.Hα-helixtrans-61.1-25.4-177.4-68.2-162.111.400112.5S598Q594-S598 WeakPolarHBondContact O-CB 3.38Å; Q594-S598 PolarHBondContact O-N 3.25Å
595E82.4Confident79.4Confident72 Ų7280 Ų8034%0.33641%0.408SS..Hα-helixtrans-71.1-45.2171.3-169.8161-140.700112.3W552 R556 D593 L597 S598 I599W552-E595 HydrophobicContact CB-CG 4.19Å; R556-E595 IonicContact CZ-OE1 2.66Å; R556-E595 IonicContact NH1-OE1 2.8Å; R556-E595 PolarHBondContact NH1-OE1 3.21Å; D593-E595 PolarHBondContact O-N 3.08Å; E595-L597 VanDerWaalsContact C-N 3.35Å; E595-L597 PolarHBondContact O-N 3.21Å; E595-S598 PolarHBondContact O-N 3.13Å; E595-I599 HydrophobicContact CG-CD1 3.74Å; E595-I599 HydrophobicContact CG-CG1 4.31Å; E595-I599 WeakPolarHBondContact O-CB 3.39Å; E595-I599 WeakPolarHBondContact O-CG1 3.44Å; E595-I599 PolarHBondContact O-N 2.8Å
596Y87.6Confident79.5Confident0 Ų081.4 Ų81.40%040%0.402CS..Hα-helixtrans-55.3-50.4171.1173.4-84.2000110.6W552 M579 W582 A583 L592 D593 S598 I599 R600W552-Y596 HydrophobicContact CD2-CD2 4.44Å; W552-Y596 AromaticContact CE2-CD2 3.78Å; W552-Y596 AromaticContact CH2-CD2 3.94Å; W552-Y596 HydrophobicContact CH2-CD2 3.94Å; W552-Y596 HydrophobicContact CH2-CE2 4.14Å; W552-Y596 AromaticContact CZ2-CD2 3.54Å; W552-Y596 HydrophobicContact CZ2-CD2 3.54Å; W552-Y596 HydrophobicContact CZ2-CE2 4Å; W552-Y596 HydrophobicContact CZ3-CD2 4.47Å; M579-Y596 HydrophobicContact CB-CE2 4.32Å; M579-Y596 HydrophobicContact CE-CD2 3.63Å; M579-Y596 HydrophobicContact CE-CE1 4.45Å; M579-Y596 HydrophobicContact CE-CE2 3.39Å; M579-Y596 HydrophobicContact CE-CG 4.29Å; M579-Y596 WeakPolarHBondContact O-CE2 3.37Å; M579-Y596 PolarHBondContact O-OH 3.36Å; W582-Y596 AromaticContact CE3-CD2 3.75Å; W582-Y596 HydrophobicContact CE3-CD2 3.75Å; W582-Y596 AromaticContact CE3-CE2 3.69Å; W582-Y596 HydrophobicContact CE3-CE2 3.69Å; W582-Y596 HydrophobicContact CH2-CD2 4.44Å; W582-Y596 AromaticContact CZ3-CD2 3.4Å; W582-Y596 HydrophobicContact CZ3-CD2 3.4Å; W582-Y596 AromaticContact CZ3-CE2 3.79Å; W582-Y596 HydrophobicContact CZ3-CE2 3.79Å; W582-Y596 HydrophobicContact CZ3-CG 4.13Å; A583-Y596 HydrophobicContact CB-CE2 4.15Å; A583-Y596 WeakPolarHBondContact CB-OH 3.33Å; L592-Y596 HydrophobicContact CB-CD1 3.93Å; L592-Y596 HydrophobicContact CB-CE1 4.44Å; L592-Y596 HydrophobicContact CD1-CD1 4.19Å; L592-Y596 HydrophobicContact CD1-CE1 3.85Å; L592-Y596 HydrophobicContact CD2-CD1 3.82Å; L592-Y596 HydrophobicContact CD2-CE1 3.85Å; L592-Y596 HydrophobicContact CD2-CG 4.2Å; L592-Y596 HydrophobicContact CG-CD1 4.21Å; L592-Y596 HydrophobicContact CG-CE1 4.28Å; D593-Y596 WeakPolarHBondContact O-CB 3.47Å; D593-Y596 PolarHBondContact O-N 2.84Å; Y596-S598 VanDerWaalsContact C-N 3.27Å; Y596-S598 PolarHBondContact O-N 2.85Å; Y596-I599 PolarHBondContact O-N 3.46Å; Y596-R600 HydrophobicContact CD1-CB 4.45Å; Y596-R600 HydrophobicContact CE1-CB 4.14Å; Y596-R600 HydrophobicContact CE1-CG 4.46Å; Y596-R600 VanDerWaalsContact O-CB 3.26Å; Y596-R600 WeakPolarHBondContact O-CB 3.21Å; Y596-R600 PolarHBondContact O-N 3.49Å; Y596-R600 PolarHBondContact OH-NH1 3.15Å
597L86.2Confident79.2Confident55 Ų5582.1 Ų82.129%0.28841%0.406SS..Hα-helixtrans-66.2-29.4-178.6-67.5176.3000112.4L592 D593 E595 R601L592-L597 HydrophobicContact CB-CD1 4.37Å; L592-L597 HydrophobicContact CB-CD2 3.96Å; L592-L597 HydrophobicContact CB-CG 3.98Å; L592-L597 HydrophobicContact CD1-CD2 4.26Å; L592-L597 WeakPolarHBondContact O-CD1 3.28Å; L592-L597 WeakPolarHBondContact O-CG 3.22Å; D593-L597 PolarHBondContact O-N 2.92Å; E595-L597 VanDerWaalsContact C-N 3.35Å; E595-L597 PolarHBondContact O-N 3.21Å; L597-R601 WeakPolarHBondContact O-CB 3.3Å; L597-R601 VanDerWaalsContact O-CD 3.3Å; L597-R601 WeakPolarHBondContact O-CD 3.18Å; L597-R601 WeakPolarHBondContact O-CG 3.47Å; L597-R601 PolarHBondContact O-N 2.8Å; L597-R601 PolarHBondContact O-NE 3.42Å; L597-R601 PolarHBondContact O-NH1 3.3Å
598S89.5Confident79.1Confident61 Ų6185.1 Ų85.143%0.42742%0.418SS..Hα-helixtrans-71.9-46.7173.1-171.40000111.9Q594 E595 Y596 R601 T602Q594-S598 WeakPolarHBondContact O-CB 3.38Å; Q594-S598 PolarHBondContact O-N 3.25Å; E595-S598 PolarHBondContact O-N 3.13Å; Y596-S598 VanDerWaalsContact C-N 3.27Å; Y596-S598 PolarHBondContact O-N 2.85Å; S598-R601 PolarHBondContact O-N 3.43Å; S598-T602 WeakPolarHBondContact O-CB 3.47Å; S598-T602 PolarHBondContact O-N 3.16Å; S598-T602 PolarHBondContact O-OG1 3.15Å
599I90.4Very high78.5Confident9 Ų985.5 Ų85.55%0.04641%0.413CS..Hα-helixtrans-64-45.8177.8-72.6173.2000110.5W552 V555 L559 M579 E595 Y596 R601 T602 L603W552-I599 HydrophobicContact CB-CD1 3.9Å; W552-I599 HydrophobicContact CD2-CD1 4.45Å; W552-I599 HydrophobicContact CE3-CD1 3.89Å; W552-I599 HydrophobicContact CE3-CG2 4.08Å; W552-I599 HydrophobicContact CG-CD1 4.47Å; W552-I599 HydrophobicContact CZ3-CG2 4.22Å; V555-I599 HydrophobicContact CB-CD1 4.36Å; V555-I599 HydrophobicContact CG1-CD1 4.27Å; V555-I599 HydrophobicContact CG1-CG2 3.65Å; L559-I599 HydrophobicContact CD1-CG2 4.28Å; M579-I599 HydrophobicContact CE-CG2 4Å; M579-I599 HydrophobicContact SD-CG2 4.19Å; E595-I599 HydrophobicContact CG-CD1 3.74Å; E595-I599 HydrophobicContact CG-CG1 4.31Å; E595-I599 WeakPolarHBondContact O-CB 3.39Å; E595-I599 WeakPolarHBondContact O-CG1 3.44Å; E595-I599 PolarHBondContact O-N 2.8Å; Y596-I599 PolarHBondContact O-N 3.46Å; I599-R601 PolarHBondContact O-N 3.25Å; I599-T602 CarbonylContact O-C 3.53Å; I599-T602 WeakPolarHBondContact O-CB 3.28Å; I599-T602 PolarHBondContact O-N 3.28Å; I599-T602 VanDerWaalsContact O-N 3.12Å; I599-L603 HydrophobicContact CG2-CD1 3.76Å; I599-L603 HydrophobicContact CG2-CG 4.46Å; I599-L603 WeakPolarHBondContact O-CB 3.31Å; I599-L603 PolarHBondContact O-N 3.35Å
600R89.6Confident77.4Confident66 Ų6682.9 Ų82.925%0.24941%0.405CS..Hα-helixtrans-58.8-48.6176.4-176.2175.3177.1130.95.6111.5L576 M579 N580 Y596 T602 L603 E604L576-R600 HydrophobicContact CD2-CG 4.48Å; M579-R600 HydrophobicContact CE-CB 3.72Å; M579-R600 HydrophobicContact CE-CG 4.42Å; N580-R600 VanDerWaalsContact OD1-CZ 3.31Å; N580-R600 PolarHBondContact OD1-NH1 3.42Å; N580-R600 PolarHBondContact OD1-NH2 3.37Å; N580-R600 VanDerWaalsContact OD1-NH2 3.09Å; Y596-R600 HydrophobicContact CD1-CB 4.45Å; Y596-R600 HydrophobicContact CE1-CB 4.14Å; Y596-R600 HydrophobicContact CE1-CG 4.46Å; Y596-R600 VanDerWaalsContact O-CB 3.26Å; Y596-R600 WeakPolarHBondContact O-CB 3.21Å; Y596-R600 PolarHBondContact O-N 3.49Å; Y596-R600 PolarHBondContact OH-NH1 3.15Å; R600-T602 VanDerWaalsContact C-N 3.28Å; R600-T602 PolarHBondContact O-N 3.28Å; R600-L603 PolarHBondContact O-N 3.21Å; R600-E604 HydrophobicContact CG-CG 4.33Å; R600-E604 WeakPolarHBondContact CG-OE1 3.34Å; R600-E604 IonicContact CZ-OE1 3.73Å; R600-E604 IonicContact NE-OE1 3.75Å; R600-E604 PolarHBondContact NE-OE1 3.47Å; R600-E604 IonicContact NH2-OE1 2.84Å; R600-E604 VanDerWaalsContact O-CB 3.3Å; R600-E604 WeakPolarHBondContact O-CB 3.23Å; R600-E604 WeakPolarHBondContact O-CG 3.41Å; R600-E604 PolarHBondContact O-N 2.99Å
601R88.6Confident75.8Confident152 Ų15285 Ų8557%0.57442%0.418SS*.Hα-helixtrans-58.7-40.6174.5-71.9169-159.3127.1-2.3111.8L597 S598 I599 Q605L597-R601 WeakPolarHBondContact O-CB 3.3Å; L597-R601 VanDerWaalsContact O-CD 3.3Å; L597-R601 WeakPolarHBondContact O-CD 3.18Å; L597-R601 WeakPolarHBondContact O-CG 3.47Å; L597-R601 PolarHBondContact O-N 2.8Å; L597-R601 PolarHBondContact O-NE 3.42Å; L597-R601 PolarHBondContact O-NH1 3.3Å; S598-R601 PolarHBondContact O-N 3.43Å; I599-R601 PolarHBondContact O-N 3.25Å; R601-Q605 VanDerWaalsContact O-CB 3.27Å; R601-Q605 WeakPolarHBondContact O-CB 3.32Å; R601-Q605 PolarHBondContact O-N 2.87Å
602T87.7Confident73.7Confident53 Ų5378.4 Ų78.433%0.32539%0.388SS..Hα-helixtrans-66.3-41.4178.5-57.60000112S598 I599 R600 Q605 R606S598-T602 WeakPolarHBondContact O-CB 3.47Å; S598-T602 PolarHBondContact O-N 3.16Å; S598-T602 PolarHBondContact O-OG1 3.15Å; I599-T602 CarbonylContact O-C 3.53Å; I599-T602 WeakPolarHBondContact O-CB 3.28Å; I599-T602 PolarHBondContact O-N 3.28Å; I599-T602 VanDerWaalsContact O-N 3.12Å; R600-T602 VanDerWaalsContact C-N 3.28Å; R600-T602 PolarHBondContact O-N 3.28Å; T602-Q605 PolarHBondContact O-N 2.71Å; T602-R606 WeakPolarHBondContact O-CG 3.43Å; T602-R606 PolarHBondContact O-N 2.92Å
603L87Confident71.4Confident0 Ų076.6 Ų76.60%038%0.38CS..Hα-helixtrans-72.6-45.2177.8-78170.2000112.1L559 V565 V575 L576 M579 I599 R600 Q605 R606 L607L559-L603 HydrophobicContact CD1-CD1 4.48Å; L559-L603 HydrophobicContact CD1-CD2 4.34Å; L559-L603 HydrophobicContact CD1-CG 4.28Å; L559-L603 HydrophobicContact CD2-CD2 3.84Å; V565-L603 HydrophobicContact CB-CD2 3.78Å; V565-L603 HydrophobicContact CG1-CD2 3.37Å; V575-L603 HydrophobicContact CG1-CD1 4.33Å; V575-L603 HydrophobicContact CG1-CD2 3.95Å; V575-L603 HydrophobicContact CG2-CD1 3.95Å; L576-L603 HydrophobicContact CD2-CB 3.86Å; M579-L603 HydrophobicContact SD-CD1 3.32Å; M579-L603 WeakPolarHBondContact SD-CD1 3.38Å; I599-L603 HydrophobicContact CG2-CD1 3.76Å; I599-L603 HydrophobicContact CG2-CG 4.46Å; I599-L603 WeakPolarHBondContact O-CB 3.31Å; I599-L603 PolarHBondContact O-N 3.35Å; R600-L603 PolarHBondContact O-N 3.21Å; L603-Q605 VanDerWaalsContact C-N 3.25Å; L603-Q605 PolarHBondContact O-N 2.85Å; L603-R606 PolarHBondContact O-N 3.4Å; L603-L607 WeakPolarHBondContact O-CB 3.31Å; L603-L607 PolarHBondContact O-N 2.99Å
604E87.2Confident69Low50 Ų5074.1 Ų74.123%0.23437%0.367CS..Hα-helixtrans-57.3-38.6170.6-78.2-171.7-14600111.7L576 R600 K608L576-E604 HydrophobicContact CD1-CG 3.82Å; L576-E604 HydrophobicContact CD2-CG 4.08Å; R600-E604 HydrophobicContact CG-CG 4.33Å; R600-E604 WeakPolarHBondContact CG-OE1 3.34Å; R600-E604 IonicContact CZ-OE1 3.73Å; R600-E604 IonicContact NE-OE1 3.75Å; R600-E604 PolarHBondContact NE-OE1 3.47Å; R600-E604 IonicContact NH2-OE1 2.84Å; R600-E604 VanDerWaalsContact O-CB 3.3Å; R600-E604 WeakPolarHBondContact O-CB 3.23Å; R600-E604 WeakPolarHBondContact O-CG 3.41Å; R600-E604 PolarHBondContact O-N 2.99Å; E604-K608 VanDerWaalsContact O-CB 3.23Å; E604-K608 WeakPolarHBondContact O-CB 3.39Å; E604-K608 VanDerWaalsContact O-CD 3.26Å; E604-K608 WeakPolarHBondContact O-CD 3.5Å; E604-K608 WeakPolarHBondContact O-CG 3.48Å; E604-K608 PolarHBondContact O-N 2.97Å; E604-K608 IonicContact OE2-NZ 3.55Å; E604-K608 PolarHBondContact OE2-NZ 2.87Å
605Q83.7Confident66.5Low123 Ų12370.8 Ų70.858%0.57537%0.368SS*.Hα-helixtrans-64.9-52.8173.7-178179.1-25.300111.2R601 T602 L603 L607 K608 E609R601-Q605 VanDerWaalsContact O-CB 3.27Å; R601-Q605 WeakPolarHBondContact O-CB 3.32Å; R601-Q605 PolarHBondContact O-N 2.87Å; T602-Q605 PolarHBondContact O-N 2.71Å; L603-Q605 VanDerWaalsContact C-N 3.25Å; L603-Q605 PolarHBondContact O-N 2.85Å; Q605-L607 PolarHBondContact O-N 2.9Å; Q605-K608 PolarHBondContact O-N 3.06Å; Q605-K608 VanDerWaalsContact O-N 3.1Å; Q605-E609 PolarHBondContact O-N 3.17Å
606R82.7Confident63.8Low98 Ų9870.2 Ų70.237%0.3738%0.376SS..Hα-helixtrans-60.6-25.4179.2-71.4-179.2-179.3-165.94.9113.5L559 V565 T602 L603L559-R606 PolarHBondContact O-NH2 3.46Å; V565-R606 HydrophobicContact CG2-CB 3.81Å; T602-R606 WeakPolarHBondContact O-CG 3.43Å; T602-R606 PolarHBondContact O-N 2.92Å; L603-R606 PolarHBondContact O-N 3.4Å
607L69.9Low61Low56 Ų5673.7 Ų73.729%0.29339%0.392SS..Hα-helixtrans-91.7-20.1175.9-78.2160.7000114.2V565 V575 L576 L603 Q605V565-L607 HydrophobicContact CG2-CD2 4.32Å; V565-L607 HydrophobicContact CG2-CG 4.05Å; V575-L607 HydrophobicContact CG1-CD1 4.27Å; L576-L607 HydrophobicContact CB-CD1 4.48Å; L576-L607 HydrophobicContact CD1-CD1 3.5Å; L576-L607 HydrophobicContact CG-CD1 3.62Å; L603-L607 WeakPolarHBondContact O-CB 3.31Å; L603-L607 PolarHBondContact O-N 2.99Å; Q605-L607 PolarHBondContact O-N 2.9Å
608K61.8Low58.2Low148 Ų14874.9 Ų74.964%0.64341%0.405SS*.Hα-helixtrans-84.6-18.7170.7-72.6164.2-166.9169.40112.3E604 Q605 P610E604-K608 VanDerWaalsContact O-CB 3.23Å; E604-K608 WeakPolarHBondContact O-CB 3.39Å; E604-K608 VanDerWaalsContact O-CD 3.26Å; E604-K608 WeakPolarHBondContact O-CD 3.5Å; E604-K608 WeakPolarHBondContact O-CG 3.48Å; E604-K608 PolarHBondContact O-N 2.97Å; E604-K608 IonicContact OE2-NZ 3.55Å; E604-K608 PolarHBondContact OE2-NZ 2.87Å; Q605-K608 PolarHBondContact O-N 3.06Å; Q605-K608 VanDerWaalsContact O-N 3.1Å; K608-P610 WeakPolarHBondContact O-CD 3.44Å
609E45.4Very low55.1Low89 Ų8976.9 Ų76.942%0.41642%0.419SS..SBendtrans-65.3116.2164.6-75177.6-145.400109.1Q605 V611Q605-E609 PolarHBondContact O-N 3.17Å; E609-V611 PolarHBondContact O-N 2.91Å
610P32.1Very low51.8Low109 Ų10981.3 Ų81.371%0.70845%0.451SS*.  trans-65.2123.4-175.926.8-34000109.3K608 N612K608-P610 WeakPolarHBondContact O-CD 3.44Å; P610-N612 PolarHBondContact O-N 3.06Å
611V34.1Very low48.7Very low117 Ų11781.5 Ų81.571%0.70947%0.466SS*.  trans-23.390.3-166.2-175.60000112.6E609E609-V611 PolarHBondContact O-N 2.91Å
612N27.5Very low45.7Very low46 Ų4679.1 Ų79.125%0.24647%0.465CS..  trans-88.1126.7177-91.9-52.2000107.8R298 P610 N614R298-N612 WeakPolarHBondContact CD-OD1 3.41Å; R298-N612 PolarHBondContact NH1-OD1 2.91Å; P610-N612 PolarHBondContact O-N 3.06Å; N612-N614 HydrophobicContact CB-CB 4.18Å; N612-N614 PolarHBondContact O-N 2.95Å
613S28.1Very low42.7Very low20 Ų2077.9 Ų77.914%0.1446%0.456CS..  trans-66.231.2171.967.90000113.8R298 D299 A615R298-S613 VanDerWaalsContact CB-OG 3.3Å; R298-S613 WeakPolarHBondContact CB-OG 3.42Å; R298-S613 PolarHBondContact O-OG 3.23Å; D299-S613 VanDerWaalsContact CG-CB 3.46Å; D299-S613 WeakPolarHBondContact OD1-CB 3.38Å; S613-A615 VanDerWaalsContact C-N 3.33Å; S613-A615 PolarHBondContact O-N 3.47Å
614N26.2Very low39.9Very low64 Ų6480.3 Ų80.334%0.34247%0.465SS..G310 helixtrans-92.511.5-169.7-70.31.8000113.1N612 A616 Q617 M623N612-N614 HydrophobicContact CB-CB 4.18Å; N612-N614 PolarHBondContact O-N 2.95Å; N614-A616 PolarHBondContact O-N 3.32Å; N614-Q617 PolarHBondContact O-N 3.09Å; N614-M623 WeakPolarHBondContact OD1-CE 3.47Å
615A28.6Very low37.1Very low98 Ų9877.9 Ų77.981%0.8145%0.454SS*.G310 helixtrans-57.2-22.8159.900000111.6S613 Q617S613-A615 VanDerWaalsContact C-N 3.33Å; S613-A615 PolarHBondContact O-N 3.47Å; A615-Q617 PolarHBondContact O-N 2.67Å
616A26.7Very low34.5Very low60 Ų6072.1 Ų72.150%0.49643%0.427SS..G310 helixtrans-93.138.1174.600000114.6N614N614-A616 PolarHBondContact O-N 3.32Å
617Q28.1Very low31.9Very low73 Ų7368.4 Ų68.434%0.34142%0.416SS..  trans-145.849.2173.3-127.2177.319.100117.2N614 A615 S619 D622 M623N614-Q617 PolarHBondContact O-N 3.09Å; A615-Q617 PolarHBondContact O-N 2.67Å; Q617-S619 CarbonylContact C-O 3.52Å; Q617-D622 PolarHBondContact NE2-OD1 3.21Å; Q617-M623 VanDerWaalsContact OE1-CE 3.26Å
618S26.6Very low29.8Very low81 Ų8168.6 Ų68.657%0.56642%0.417SS*.SBendtrans-157.2107.613361.20000108.2K562K562-S618 VanDerWaalsContact CE-OG 3.29Å; K562-S618 WeakPolarHBondContact CE-OG 3.42Å; K562-S618 PolarHBondContact NZ-O 2.71Å; K562-S618 PolarHBondContact NZ-OG 3.29Å
619S24.3Very low28Very low103 Ų10366.2 Ų66.272%0.7241%0.411SS*.SBendcis-54.5159.216.949.10000118.9Q617Q617-S619 CarbonylContact C-O 3.52Å
620S22.4Very low27.2Very low102 Ų10268.2 Ų68.271%0.71342%0.419SS*.  trans-60.6169.9176.7540000114.9
621A24.3Very low26.7Very low69 Ų6970 Ų7057%0.5742%0.421SS*.  trans61.195.8179.700000109.8
622D25.2Very low26.3Very low102 Ų10270 Ų7055%0.54542%0.423SS..  73.1117.987.6-65.5-41.2000110L305 Q617L305-D622 VanDerWaalsContact CD2-C 3.42Å; L305-D622 HydrophobicContact CD2-CB 4.43Å; L305-D622 WeakPolarHBondContact CD2-O 3.47Å; Q617-D622 PolarHBondContact NE2-OD1 3.21Å
623M24.5Very low26Very low27 Ų2775 Ų7513%0.13345%0.449CS..  cis85.3106.732-63.6-157157.700114.3Y301 N614 Q617Y301-M623 HydrophobicContact CD1-CB 3.12Å; Y301-M623 HydrophobicContact CD1-CG 3.8Å; Y301-M623 HydrophobicContact CD1-SD 4.31Å; Y301-M623 HydrophobicContact CE1-CB 3.15Å; Y301-M623 HydrophobicContact CE1-CG 4.25Å; Y301-M623 WeakPolarHBondContact CE1-O 3.4Å; Y301-M623 HydrophobicContact CE1-SD 4.48Å; N614-M623 WeakPolarHBondContact OD1-CE 3.47Å; Q617-M623 VanDerWaalsContact OE1-CE 3.26Å
624R27.6Very low25.9Very low51 Ų5185.2 Ų85.219%0.19249%0.486CS..  125103.5109.3-70.4155.8-72.7159.73.9109.4R298 Y301 L325 A332 M334 W342R298-R624 HydrophobicContact CG-CG 4.22Å; Y301-R624 VanDerWaalsContact CB-CA 3.45Å; Y301-R624 VanDerWaalsContact CB-CG 3.49Å; Y301-R624 HydrophobicContact CD1-CB 2.29Å; Y301-R624 HydrophobicContact CD1-CG 2.83Å; Y301-R624 HydrophobicContact CD2-CB 2.29Å; Y301-R624 HydrophobicContact CD2-CG 3.13Å; Y301-R624 HydrophobicContact CE1-CB 2.29Å; Y301-R624 HydrophobicContact CE1-CG 3.49Å; Y301-R624 VanDerWaalsContact CE1-CG 3.49Å; Y301-R624 HydrophobicContact CE2-CB 2.3Å; Y301-R624 HydrophobicContact CE2-CG 3.74Å; Y301-R624 WeakPolarHBondContact CE2-O 3.24Å; Y301-R624 HydrophobicContact CG-CB 2.31Å; Y301-R624 HydrophobicContact CG-CG 2.65Å; Y301-R624 VanDerWaalsContact CZ-N 3.32Å; Y301-R624 CarbonylContact O-C 3.54Å; Y301-R624 VanDerWaalsContact O-CA 3.29Å; Y301-R624 WeakPolarHBondContact O-CA 2.98Å; Y301-R624 PolarHBondContact O-N 2.76Å; Y301-R624 WeakPolarHBondContact OH-CA 3.47Å; Y301-R624 PolarHBondContact OH-O 3.23Å; L325-R624 WeakPolarHBondContact CD2-O 3.22Å; A332-R624 HydrophobicContact CB-CG 4.47Å; M334-R624 HydrophobicContact CE-CB 3.82Å; M334-R624 HydrophobicContact CG-CB 4.11Å; M334-R624 HydrophobicContact CG-CG 4.45Å; M334-R624 HydrophobicContact SD-CB 3.34Å; M334-R624 WeakPolarHBondContact SD-CB 3.28Å; M334-R624 HydrophobicContact SD-CG 4.28Å; W342-R624 PolarHBondContact NE1-O 3.17Å
625H28.7Very low25.8Very low0 Ų090.7 Ų90.70%051%0.507CS..  104.1163.6129-84.3-29.3000120.1Y297 Y301 A304 M324 L325 L328 S329 A332Y297-H625 PolarHBondContact O-CE1 2.66Å; Y297-H625 PolarHBondContact O-ND1 3.11Å; Y301-H625 VanDerWaalsContact CD2-CA 3.49Å; Y301-H625 HydrophobicContact CD2-CB 3.37Å; Y301-H625 AromaticContact CD2-CD2 2.85Å; Y301-H625 WeakPolarHBondContact CD2-CD2 3.39Å; Y301-H625 AromaticContact CD2-CE1 3.22Å; Y301-H625 WeakPolarHBondContact CD2-CE1 3.47Å; Y301-H625 AromaticContact CD2-CG 2.92Å; Y301-H625 AromaticContact CD2-ND1 3.17Å; Y301-H625 WeakPolarHBondContact CD2-ND1 3.06Å; Y301-H625 AromaticContact CD2-NE2 3.03Å; Y301-H625 WeakPolarHBondContact CD2-NE2 3.28Å; Y301-H625 HydrophobicContact CE2-CB 3.38Å; Y301-H625 AromaticContact CE2-CD2 2.88Å; Y301-H625 WeakPolarHBondContact CE2-CD2 3.45Å; Y301-H625 AromaticContact CE2-CG 3.31Å; Y301-H625 AromaticContact CE2-NE2 3.55Å; Y301-H625 PolarHBondContact O-N 3.14Å; A304-H625 CarbonylContact C-O 3.59Å; A304-H625 WeakPolarHBondContact CB-O 3.48Å; M324-H625 CarbonylContact O-C 3.38Å; L325-H625 WeakPolarHBondContact CA-O 3.37Å; L325-H625 WeakPolarHBondContact CD2-O 3.44Å; L325-H625 VanDerWaalsContact CG-O 3.23Å; L325-H625 WeakPolarHBondContact CG-O 3.4Å; L325-H625 PolarHBondContact N-O 3.05Å; L325-H625 VanDerWaalsContact O-CB 3.26Å; L325-H625 WeakPolarHBondContact O-CB 3.29Å; L328-H625 HydrophobicContact CB-CB 3.95Å; L328-H625 WeakPolarHBondContact CB-CE1 3.46Å; L328-H625 WeakPolarHBondContact CB-ND1 3.32Å; L328-H625 VanDerWaalsContact CD1-ND1 3.32Å; L328-H625 WeakPolarHBondContact CD1-ND1 3.48Å; L328-H625 PolarHBondContact O-CD2 2.84Å; L328-H625 VanDerWaalsContact O-CD2 3.28Å; L328-H625 PolarHBondContact O-CE1 3.33Å; L328-H625 PolarHBondContact O-NE2 3.15Å; S329-H625 WeakPolarHBondContact CA-CD2 3.25Å; S329-H625 WeakPolarHBondContact CA-NE2 3.38Å; S329-H625 PolarHBondContact N-CD2 3.03Å; S329-H625 PolarHBondContact N-NE2 3.35Å; A332-H625 WeakPolarHBondContact CB-NE2 3.36Å
626G29.4Very low25.5Very low1 Ų195.9 Ų95.91%0.0151%0.511CS..  cis172.8-91.35.100000119.3M324 L328M324-G626 VanDerWaalsContact C-CA 3.49Å; M324-G626 VanDerWaalsContact CE-O 3.28Å; M324-G626 WeakPolarHBondContact CE-O 3.34Å; M324-G626 CarbonylContact O-C 3.59Å; M324-G626 VanDerWaalsContact O-C 3.27Å; M324-G626 WeakPolarHBondContact O-CA 3.09Å; M324-G626 PolarHBondContact O-N 3.01Å; L328-G626 VanDerWaalsContact CG-CA 3.4Å
627S27.9Very low25.4Very low20 Ų20103.1 Ų103.114%0.1453%0.525CS..  trans-151.4141.7-176.7-53.10000118.7M324 D327 L328M324-S627 VanDerWaalsContact CA-C 3.5Å; M324-S627 WeakPolarHBondContact CA-O 3.18Å; M324-S627 VanDerWaalsContact CB-N 3.27Å; M324-S627 PolarHBondContact O-N 3.04Å; D327-S627 WeakPolarHBondContact CB-O 3.42Å; L328-S627 VanDerWaalsContact CD2-OG 3.24Å; L328-S627 WeakPolarHBondContact CD2-OG 3.46Å; L328-S627 WeakPolarHBondContact CG-OG 3.43Å
628I25.7Very low25.3Very low61 Ų61104.4 Ų104.431%0.31354%0.542SS..  161.6123120.5-82.6160.3000112D327D327-I628 HydrophobicContact CB-CD1 3.65Å; D327-I628 HydrophobicContact CB-CG1 4.32Å
629N25.7Very low25.2Very low98 Ų98111.2 Ų111.252%0.52456%0.556SS.*  trans169.4129.4138.4-95.2-56.4000108.7
630K27.4Very low25.2Very low131 Ų131114.7 Ų114.757%0.5756%0.561SS**  cis-139.5153-3.2-83.4173.4176.6158.60110.4S402S402-K630 PolarHBondContact O-NZ 3.07Å
631I22.7Very low25.6Very low146 Ų146116.2 Ų116.275%0.74956%0.561SS**  trans-84.7127.7176.9-64159.3000110.6L633I631-L633 PolarHBondContact O-N 3.46Å
632P24Very low25.6Very low118 Ų118121.3 Ų121.377%0.76658%0.577SS**  trans-72.4111.7159-15.331.4000109.9Y634P632-Y634 PolarHBondContact O-N 3.2Å
633L22.8Very low25.8Very low149 Ų149121.3 Ų121.378%0.7859%0.591SS**  trans-72.3102.9-177.4-72.9155000111.9I631 K635I631-L633 PolarHBondContact O-N 3.46Å; L633-K635 PolarHBondContact O-N 3.49Å
634Y24.9Very low25.8Very low235 Ų235131.6 Ų131.692%0.92263%0.629SS**  trans-77.8104.3156.4-109.4-83.7000109.9P632P632-Y634 PolarHBondContact O-N 3.2Å
635K24.2Very low25.9Very low179 Ų179135.9 Ų135.978%0.77866%0.66SS**  trans-64.2152.2-178.5-68.1171.7178.7170.10110.8L633 R637L633-K635 PolarHBondContact O-N 3.49Å; K635-R637 PolarHBondContact O-N 3.02Å
636K22.9Very low25.9Very low207 Ų207138.9 Ų138.990%0.969%0.691SS**  trans-44.9110.7152.7-72177.6174.3178.30109.4
637R24.6Very low26.1Very low212 Ų212143.8 Ų143.880%0.873%0.725SS**  trans-85.3103.6150.9-105.7-175.7158158.7-6107K635 D641K635-R637 PolarHBondContact O-N 3.02Å; R637-D641 IonicContact NH2-OD2 2.8Å; R637-D641 PolarHBondContact NH2-OD2 3.07Å
638S24.9Very low26.1Very low100 Ų100149.9 Ų149.970%0.69976%0.756SS**  trans-62.9178.4165.7490000110.4
639R24.2Very low26.4Very low224 Ų224155.5 Ų155.585%0.84578%0.781SS**SBendtrans-49.1160.3152.7-73.4175.8161.7126.5-3.9110.5
640E25.4Very low26.8Very low176 Ų176157.9 Ų157.982%0.82279%0.794SS**  trans80.789.6-179.8-59.8144.4-132.700114.4
641D29.6Very low27Very low134 Ų134157.5 Ų157.572%0.71780%0.802SS**  trans-161.3125133.2-97.6-26.6000108.4R637R637-D641 IonicContact NH2-OD2 2.8Å; R637-D641 PolarHBondContact NH2-OD2 3.07Å
642I25.7Very low27.3Very low177 Ų177159.1 Ų159.191%0.90881%0.806SS**  trans-134.2120.5177.5-61.7168.9000107.5
643A29.7Very low27.4Very low102 Ų102162 Ų16284%0.84381%0.809SS**  trans-167.9164.6158.100000112.1
644W24.8Very low27.8Very low243 Ų243159.1 Ų159.192%0.9281%0.808SS**  trans-121.9-167.4-176-132.759.1000110.2
645V29.1Very low27.9Very low140 Ų140154 Ų15485%0.84880%0.801SS**  trans99.2130.8173.6-177.50000114.6
646G27.3Very low28.1Very low63 Ų63150.1 Ų150.165%0.64980%0.796SS**  cis144.6136.4-13.700000115.9
647S33.7Very low28.3Very low104 Ų104147.2 Ų147.273%0.72779%0.791SS**  trans178.2127.9156.851.70000107.6
648D29.1Very low28.4Very low148 Ų148142.2 Ų142.279%0.79179%0.788SS**  70.4124.761.3-59.8-33.7000110.7
649E32.3Very low28.6Very low180 Ų180142.7 Ų142.784%0.84179%0.792SS**  cis-130.8170.35.9-83.1151.215600109.7
650D33.1Very low28.9Very low148 Ų148136.6 Ų136.679%0.79179%0.789SS**  -176.9152.766.8-136.4-9.9000114.7
651V31.3Very low28.9Very low122 Ų122135.7 Ų135.774%0.73979%0.79SS**  trans57.4103.4156.9-174.40000123.8
652E29.3Very low28.8Very low181 Ų181139 Ų13985%0.84680%0.798SS**  trans-8.8162.4133.2-67.5177.6162.100121.1
653E27.4Very low28.9Very low177 Ų177136.1 Ų136.183%0.82779%0.791SS**  cis-170131.6-12.4167.8-171-136.100107.8
654A29.7Very low28.8Very low90 Ų90136.2 Ų136.274%0.74479%0.791SS**  trans-17285158.900000116.5
655T27.5Very low28.9Very low128 Ų128132.1 Ų132.179%0.78579%0.787SS**  trans48.1116.4145.359.40000123.2
656S27.8Very low28.9Very low97 Ų97133.3 Ų133.368%0.67879%0.788SS**  trans58108.2144.360.80000119.4
657N28.2Very low29Very low146 Ų146138.6 Ų138.678%0.78180%0.796SS**  -170.1156.862.7-91.5-39.8000113.9
658S27Very low28.8Very low107 Ų107140.5 Ų140.575%0.74881%0.806SS**  trans61.1128.2153.850.80000122.5
659S27.8Very low29Very low110 Ų110136 Ų13677%0.76979%0.794SS**  trans65.981.7146.656.30000121.6
660A30.8Very low29.2Very low95 Ų95133.9 Ų133.979%0.78578%0.779SS**  51.1112.2117.700000120.5
661D26.2Very low29.2Very low157 Ų157129.4 Ų129.484%0.8477%0.768SS**  trans-73.5149.7177.7-44.4-93.5000115.2
662F27.6Very low29.4Very low203 Ų203133.1 Ų133.189%0.8977%0.769SS**  trans-141.9141.3151.7-91.7-85.2000108.9
663P27.6Very low29.8Very low118 Ų118130.4 Ų130.477%0.76675%0.754SS**  trans-88.8153.2-165.134.2-36.8000115.2
664A27.9Very low30.1Very low103 Ų103126.9 Ų126.985%0.85174%0.741SS**  trans48.9112.2157.300000118.8
665L26Very low30.5Very low157 Ų157130.1 Ų130.182%0.82274%0.735SS**  trans-102.7112.5176.4-72.7156.5000110.7
666D28.5Very low31.2Very low165 Ų165126.8 Ų126.888%0.88271%0.714SS**  trans-155.438.3177.1-121.2-21.6000114.2
667E29.5Very low31.8Very low175 Ų175127.6 Ų127.682%0.81871%0.707SS**  trans-129.6125.8172.5-83.9-163.1167.800114G669E667-G669 PolarHBondContact O-N 3.5Å
668P30Very low32.2Very low144 Ų144123.2 Ų123.294%0.93569%0.692SS**THydrogen-bonded Turntrans-76.288.6179.930.9-34.9000112.6
669G34.5Very low32.7Very low52 Ų52122 Ų12254%0.53668%0.679SS.*THydrogen-bonded Turntrans175.5-8.4171.600000116.9E667 G671 R672E667-G669 PolarHBondContact O-N 3.5Å; G669-G671 PolarHBondContact O-N 3.03Å; G669-R672 PolarHBondContact O-N 3.13Å
670Y35.2Very low33.2Very low136 Ų136123 Ų12353%0.53367%0.67SS.*THydrogen-bonded Turntrans-64.6-37.9-166.6-151.2-99.6000114.8R672 K673 L674Y670-R672 VanDerWaalsContact C-N 3.26Å; Y670-R672 PolarHBondContact O-N 3.15Å; Y670-K673 HydrophobicContact CD2-CD 4.36Å; Y670-K673 HydrophobicContact CE2-CD 4.27Å; Y670-K673 WeakPolarHBondContact O-CA 3.41Å; Y670-K673 WeakPolarHBondContact O-CB 3.48Å; Y670-K673 PolarHBondContact O-N 3.34Å; Y670-L674 HydrophobicContact CD1-CD1 4.17Å; Y670-L674 HydrophobicContact CD1-CG 4.49Å; Y670-L674 HydrophobicContact CE1-CD1 4.29Å; Y670-L674 HydrophobicContact CE1-CG 4.43Å; Y670-L674 PolarHBondContact O-N 3.28Å
671G33.1Very low33.6Very low54 Ų54120.8 Ų120.856%0.55765%0.649SS**Hα-helixtrans-59.1-33.8177.700000113.8G669 K673 L674 Y675G669-G671 PolarHBondContact O-N 3.03Å; G671-K673 PolarHBondContact O-N 3.45Å; G671-L674 PolarHBondContact O-N 3.04Å; G671-Y675 PolarHBondContact O-N 3.06Å
672R36.4Very low34.1Very low200 Ų200116.6 Ų116.676%0.75563%0.629SS**Hα-helixtrans-73.3-9.5176.1-156.1175.5-173.5-174.24.7113.1G669 Y670 V676G669-R672 PolarHBondContact O-N 3.13Å; Y670-R672 VanDerWaalsContact C-N 3.26Å; Y670-R672 PolarHBondContact O-N 3.15Å; R672-V676 VanDerWaalsContact O-CG2 3.24Å; R672-V676 WeakPolarHBondContact O-CG2 3.41Å
673K36.5Very low34.4Very low124 Ų124108.7 Ų108.754%0.53960%0.604SS.*Hα-helixtrans-83.4-53.9171-130.2176.7-174.5177.60109.4Y670 G671 Y675 V676 E677Y670-K673 HydrophobicContact CD2-CD 4.36Å; Y670-K673 HydrophobicContact CE2-CD 4.27Å; Y670-K673 WeakPolarHBondContact O-CA 3.41Å; Y670-K673 WeakPolarHBondContact O-CB 3.48Å; Y670-K673 PolarHBondContact O-N 3.34Å; G671-K673 PolarHBondContact O-N 3.45Å; K673-Y675 PolarHBondContact O-N 3.36Å; K673-V676 PolarHBondContact O-N 3.14Å; K673-V676 VanDerWaalsContact O-N 3.16Å; K673-E677 PolarHBondContact O-N 3.39Å
674L35.1Very low35Very low103 Ų103106.5 Ų106.554%0.53959%0.592SS.*Hα-helixtrans-58-47.1178.6-74.7167.8000112.6Y670 G671 V676 E677 A678Y670-L674 HydrophobicContact CD1-CD1 4.17Å; Y670-L674 HydrophobicContact CD1-CG 4.49Å; Y670-L674 HydrophobicContact CE1-CD1 4.29Å; Y670-L674 HydrophobicContact CE1-CG 4.43Å; Y670-L674 PolarHBondContact O-N 3.28Å; G671-L674 PolarHBondContact O-N 3.04Å; L674-V676 VanDerWaalsContact C-N 3.3Å; L674-V676 PolarHBondContact O-N 3Å; L674-E677 PolarHBondContact O-N 3.16Å; L674-E677 VanDerWaalsContact O-N 3.1Å; L674-A678 PolarHBondContact O-N 3.27Å
675Y37.2Very low35.5Very low159 Ų159109.5 Ų109.562%0.62458%0.581SS**Hα-helixtrans-58.2-41.5176.6-175.3-95.9000112.5G671 K673 E677 A678 V679G671-Y675 PolarHBondContact O-N 3.06Å; K673-Y675 PolarHBondContact O-N 3.36Å; Y675-E677 VanDerWaalsContact C-N 3.32Å; Y675-E677 PolarHBondContact O-N 2.96Å; Y675-A678 PolarHBondContact O-N 2.77Å; Y675-V679 HydrophobicContact CD1-CG2 4.29Å; Y675-V679 HydrophobicContact CE1-CG2 3.96Å; Y675-V679 WeakPolarHBondContact O-CG2 3.32Å; Y675-V679 PolarHBondContact O-N 3.26Å
676V42.1Very low35.8Very low58 Ų58105 Ų10535%0.35257%0.566SS.*Hα-helixtrans-71.4-27.1178.7168.90000112.2R672 K673 L674 K680R672-V676 VanDerWaalsContact O-CG2 3.24Å; R672-V676 WeakPolarHBondContact O-CG2 3.41Å; K673-V676 PolarHBondContact O-N 3.14Å; K673-V676 VanDerWaalsContact O-N 3.16Å; L674-V676 VanDerWaalsContact C-N 3.3Å; L674-V676 PolarHBondContact O-N 3Å; V676-K680 HydrophobicContact CG1-CD 4.3Å; V676-K680 WeakPolarHBondContact O-CB 3.34Å; V676-K680 WeakPolarHBondContact O-CD 3.39Å; V676-K680 WeakPolarHBondContact O-CG 3.49Å; V676-K680 PolarHBondContact O-N 2.79Å
677E39.9Very low36.1Very low113 Ų113102.9 Ų102.953%0.52856%0.559SS.*Hα-helixtrans-81.5-35175.2-72.9176.7171.300112.2K673 L674 Y675 K680 S681K673-E677 PolarHBondContact O-N 3.39Å; L674-E677 PolarHBondContact O-N 3.16Å; L674-E677 VanDerWaalsContact O-N 3.1Å; Y675-E677 VanDerWaalsContact C-N 3.32Å; Y675-E677 PolarHBondContact O-N 2.96Å; E677-K680 PolarHBondContact O-N 3.38Å; E677-S681 WeakPolarHBondContact O-CB 3.45Å; E677-S681 PolarHBondContact O-N 3.05Å
678A36.3Very low36.5Very low55 Ų5599.2 Ų99.246%0.45555%0.554SS.*Hα-helixtrans-59.9-50.516800000111.6L674 Y675 K680 S681 V682L674-A678 PolarHBondContact O-N 3.27Å; Y675-A678 PolarHBondContact O-N 2.77Å; A678-K680 VanDerWaalsContact C-N 3.29Å; A678-K680 PolarHBondContact O-N 2.71Å; A678-S681 WeakPolarHBondContact O-CA 3.41Å; A678-S681 VanDerWaalsContact O-CB 3.3Å; A678-S681 WeakPolarHBondContact O-CB 3.37Å; A678-S681 PolarHBondContact O-N 3.31Å; A678-V682 PolarHBondContact O-N 3.35Å
679V37.6Very low36.8Very low81 Ų8196.2 Ų96.249%0.49154%0.541SS..Hα-helixtrans-60.8-36.1177170.90000112Y675 V682 G683Y675-V679 HydrophobicContact CD1-CG2 4.29Å; Y675-V679 HydrophobicContact CE1-CG2 3.96Å; Y675-V679 WeakPolarHBondContact O-CG2 3.32Å; Y675-V679 PolarHBondContact O-N 3.26Å; V679-V682 PolarHBondContact O-N 2.71Å; V679-G683 PolarHBondContact O-N 2.92Å
680K38.8Very low36.5Very low130 Ų13097.9 Ų97.957%0.56556%0.558SS**Hα-helixtrans-69.2-34.8173.1-76.4168.3-175.61720113.5V676 E677 A678 V682 G683 S684V676-K680 HydrophobicContact CG1-CD 4.3Å; V676-K680 WeakPolarHBondContact O-CB 3.34Å; V676-K680 WeakPolarHBondContact O-CD 3.39Å; V676-K680 WeakPolarHBondContact O-CG 3.49Å; V676-K680 PolarHBondContact O-N 2.79Å; E677-K680 PolarHBondContact O-N 3.38Å; A678-K680 VanDerWaalsContact C-N 3.29Å; A678-K680 PolarHBondContact O-N 2.71Å; K680-V682 VanDerWaalsContact C-N 3.33Å; K680-G683 PolarHBondContact O-N 3.05Å; K680-S684 WeakPolarHBondContact O-CB 3.37Å; K680-S684 PolarHBondContact O-N 2.96Å; K680-S684 PolarHBondContact O-OG 3.01Å
681S40.4Very low36.1Very low50 Ų5094.2 Ų94.235%0.3556%0.561SS.*Hα-helixtrans-63.5-39.2173.3-174.60000111.5E677 A678 S684 R685E677-S681 WeakPolarHBondContact O-CB 3.45Å; E677-S681 PolarHBondContact O-N 3.05Å; A678-S681 WeakPolarHBondContact O-CA 3.41Å; A678-S681 VanDerWaalsContact O-CB 3.3Å; A678-S681 WeakPolarHBondContact O-CB 3.37Å; A678-S681 PolarHBondContact O-N 3.31Å; S681-S684 PolarHBondContact O-OG 3.38Å; S681-S684 VanDerWaalsContact O-OG 3.08Å; S681-R685 WeakPolarHBondContact O-CG 3.44Å; S681-R685 PolarHBondContact O-N 3.04Å
682V35.8Very low36Very low68 Ų68104 Ų10441%0.41258%0.581SS.*Hα-helixtrans-66.8-47.4172.9176.60000111A678 V679 K680 S684 R685 A686 V711A678-V682 PolarHBondContact O-N 3.35Å; V679-V682 PolarHBondContact O-N 2.71Å; K680-V682 VanDerWaalsContact C-N 3.33Å; V682-S684 VanDerWaalsContact C-N 3.34Å; V682-S684 PolarHBondContact O-N 3.4Å; V682-R685 PolarHBondContact O-N 3.09Å; V682-A686 PolarHBondContact O-N 3.05Å; V682-A686 VanDerWaalsContact O-N 3.09Å; V682-V711 HydrophobicContact CG1-CG2 3.86Å; V682-V711 HydrophobicContact CG2-CG2 4.13Å
683G34.3Very low35.5Very low37 Ų3799.5 Ų99.538%0.38158%0.581SS.*Hα-helixtrans-62.3-33.8179.100000114.9V679 K680 T687V679-G683 PolarHBondContact O-N 2.92Å; K680-G683 PolarHBondContact O-N 3.05Å; G683-T687 PolarHBondContact O-N 3.19Å; G683-T687 PolarHBondContact O-OG1 3.39Å
684S40Very low35.2Very low72 Ų72103.9 Ų103.950%0.50360%0.6SS.*Hα-helixtrans-74.3-27.517668.80000113.3K680 S681 V682 T687K680-S684 WeakPolarHBondContact O-CB 3.37Å; K680-S684 PolarHBondContact O-N 2.96Å; K680-S684 PolarHBondContact O-OG 3.01Å; S681-S684 PolarHBondContact O-OG 3.38Å; S681-S684 VanDerWaalsContact O-OG 3.08Å; V682-S684 VanDerWaalsContact C-N 3.34Å; V682-S684 PolarHBondContact O-N 3.4Å; S684-T687 PolarHBondContact O-OG1 3.46Å
685R37.6Very low34.9Very low167 Ų167103.3 Ų103.363%0.6360%0.604SS**Hα-helixtrans-71.2-48.3171.4-68.6172-167.1-167.92.5111.1S681 V682 T687 S688S681-R685 WeakPolarHBondContact O-CG 3.44Å; S681-R685 PolarHBondContact O-N 3.04Å; V682-R685 PolarHBondContact O-N 3.09Å; R685-T687 VanDerWaalsContact C-N 3.28Å; R685-T687 PolarHBondContact O-N 3.44Å; R685-S688 PolarHBondContact O-N 3.18Å; R685-S688 PolarHBondContact O-OG 3.34Å
686A33.4Very low34.5Very low61 Ų61100.1 Ų100.150%0.50461%0.606SS.*Hα-helixtrans-56.8-39.7-179.900000113V682 S688V682-A686 PolarHBondContact O-N 3.05Å; V682-A686 VanDerWaalsContact O-N 3.09Å; A686-S688 PolarHBondContact O-N 2.84Å
687T34.1Very low34Very low121 Ų121104.5 Ų104.574%0.74263%0.627SS**THydrogen-bonded Turntrans-72-11.1178.840.30000114.7G683 S684 R685G683-T687 PolarHBondContact O-N 3.19Å; G683-T687 PolarHBondContact O-OG1 3.39Å; S684-T687 PolarHBondContact O-OG1 3.46Å; R685-T687 VanDerWaalsContact C-N 3.28Å; R685-T687 PolarHBondContact O-N 3.44Å
688S37.9Very low33.6Very low99 Ų99108 Ų10869%0.69264%0.641SS**THydrogen-bonded Turntrans-91.3-8.6-179.372.40000115.1R685 A686R685-S688 PolarHBondContact O-N 3.18Å; R685-S688 PolarHBondContact O-OG 3.34Å; A686-S688 PolarHBondContact O-N 2.84Å
689A35.6Very low33.1Very low81 Ų81110.5 Ų110.567%0.66966%0.655SS**SBendtrans-92.5-18.5-172.900000115.4G691A689-G691 VanDerWaalsContact C-N 3.25Å; A689-G691 PolarHBondContact O-N 3.25Å
690G28.3Very low32.7Very low87 Ų87115.3 Ų115.390%0.89767%0.672SS**  trans-76.142.8-166.600000117.1
691G27Very low32.2Very low58 Ų58116.4 Ų116.460%0.59868%0.684SS**  trans-151.862.3-16500000118.2A689A689-G691 VanDerWaalsContact C-N 3.25Å; A689-G691 PolarHBondContact O-N 3.25Å
692R30.8Very low31.5Very low259 Ų259120.8 Ų120.898%0.97771%0.708SS**  trans-165134.5152.4-102.6145.7-153.5-156.86.4112.3
693S27.7Very low31.1Very low106 Ų106126.3 Ų126.374%0.74173%0.729SS**  trans-96.7142.4177.955.60000112.5
694F29.5Very low30.9Very low217 Ų217133.3 Ų133.395%0.95275%0.752SS**  trans-151.3170.5146.9-107.9-71000110.8
695S29.4Very low30.3Very low90 Ų90135.5 Ų135.563%0.62977%0.768SS**  trans-126.7169.2-151.662.40000115.8
696S28.2Very low29.9Very low93 Ų93132 Ų13265%0.6578%0.775SS**  trans70.8115.5150.148.50000120
697D32Very low29.7Very low150 Ų150133.2 Ų133.280%0.80278%0.784SS**  trans97.6128.5135.6-667.8000121
698K30.4Very low29.5Very low187 Ų187133.1 Ų133.181%0.81379%0.788SS**  trans81.470.3165.3-60.3178.5-173.7177.80118.5
699S27Very low29.1Very low107 Ų107131.1 Ų131.175%0.74878%0.784SS**  17.3108.4121.560.30000118.5
700E28Very low29Very low181 Ų181134.9 Ų134.985%0.84679%0.792SS**  -163.8152.2118.2-104.2162-156.100108.2
701N28.7Very low29.2Very low153 Ų153133.9 Ų133.982%0.81877%0.768SS**  trans54.6104.1-178.8-59-12.8000117.2
702V25.2Very low29.7Very low143 Ų143134.4 Ų134.487%0.86776%0.76SS**  trans-103.9104.4172.4176.90000109.4
703E28Very low29.9Very low183 Ų183130 Ų13086%0.85575%0.75SS**SBendtrans-176-26.9148.7-107.3163.4-160.100113.6S705E703-S705 PolarHBondContact O-N 2.67Å
704E30Very low30.2Very low185 Ų185132 Ų13286%0.86475%0.748SS**G310 helixtrans-791.5-167.4-68.2-174.7120.900117.8
705S27Very low30.5Very low118 Ų118127 Ų12783%0.82573%0.728SS**G310 helixtrans-93.58.8-169.268.10000117.1E703E703-S705 PolarHBondContact O-N 2.67Å
706A28.8Very low30.8Very low94 Ų94128.7 Ų128.778%0.77772%0.724SS**G310 helixtrans-86.8-1.1-176.400000115.6S708A706-S708 PolarHBondContact O-N 3.01Å
707A30.7Very low31.2Very low85 Ų85129.7 Ų129.770%0.70272%0.718SS**  trans-81.52.8-164.100000116.8G709A707-G709 PolarHBondContact O-N 2.73Å; A707-G709 VanDerWaalsContact O-N 3.11Å
708S29.8Very low31.3Very low119 Ų119127.1 Ų127.183%0.83271%0.708SS**THydrogen-bonded Turntrans-87.668.5-17350.90000114.2A706A706-S708 PolarHBondContact O-N 3.01Å
709G30Very low31.4Very low58 Ų58121 Ų12160%0.59869%0.692SS**THydrogen-bonded Turntrans178.610.3173.800000118.6A707A707-G709 PolarHBondContact O-N 2.73Å; A707-G709 VanDerWaalsContact O-N 3.11Å
710L31.9Very low31.7Very low160 Ų160122 Ų12284%0.83869%0.685SS**  trans-108.4144.7-177.5-69.5169.4000112.1
711V33.8Very low31.9Very low66 Ų66120 Ų12040%0.468%0.68SS.*  trans-58.5140.1172.2177.40000109.3V682 E715V682-V711 HydrophobicContact CG1-CG2 3.86Å; V682-V711 HydrophobicContact CG2-CG2 4.13Å; V711-E715 WeakPolarHBondContact CA-OE2 3.5Å; V711-E715 HydrophobicContact CG1-CB 3.44Å; V711-E715 VanDerWaalsContact CG1-CB 3.44Å; V711-E715 HydrophobicContact CG1-CG 4.47Å
712T36.9Very low32Very low68 Ų68121.2 Ų121.242%0.41768%0.678SS.*  trans-74.6159.7-179.469.90000112.2E714 E715 F716T712-E714 PolarHBondContact O-N 3.46Å; T712-E715 PolarHBondContact N-OE2 2.69Å; T712-E715 PolarHBondContact O-N 3.29Å; T712-E715 VanDerWaalsContact O-N 3.15Å; T712-E715 WeakPolarHBondContact OG1-CG 3.39Å; T712-E715 PolarHBondContact OG1-N 3.14Å; T712-F716 PolarHBondContact O-N 3.18Å; T712-F716 VanDerWaalsContact O-N 3.13Å
713E34.3Very low32.3Very low167 Ų167121.7 Ų121.778%0.7868%0.675SS**Hα-helixtrans-57.6-39.2174.1-149.2167.1-16600110.2F716 E717E713-F716 WeakPolarHBondContact O-CB 3.42Å; E713-F716 PolarHBondContact O-N 2.78Å; E713-F716 VanDerWaalsContact O-N 3.16Å; E713-E717 PolarHBondContact O-N 3.39Å
714E34.9Very low32.5Very low147 Ų147119.8 Ų119.869%0.68767%0.669SS**Hα-helixtrans-65.4-38.4174.7-58.2174.9146.600113.3T712 F716 V718T712-E714 PolarHBondContact O-N 3.46Å; E714-F716 PolarHBondContact O-N 2.79Å; E714-V718 WeakPolarHBondContact O-CG2 3.43Å; E714-V718 PolarHBondContact O-N 3.14Å
715E35Very low32.4Very low113 Ų113118.7 Ų118.753%0.52867%0.669SS.*Hα-helixtrans-69.9-18.4174-76.3178.6140.200112.7V711 T712V711-E715 WeakPolarHBondContact CA-OE2 3.5Å; V711-E715 HydrophobicContact CG1-CB 3.44Å; V711-E715 VanDerWaalsContact CG1-CB 3.44Å; V711-E715 HydrophobicContact CG1-CG 4.47Å; T712-E715 PolarHBondContact N-OE2 2.69Å; T712-E715 PolarHBondContact O-N 3.29Å; T712-E715 VanDerWaalsContact O-N 3.15Å; T712-E715 WeakPolarHBondContact OG1-CG 3.39Å; T712-E715 PolarHBondContact OG1-N 3.14Å
716F36.5Very low32.6Very low126 Ų126120.3 Ų120.355%0.55367%0.669SS**Hα-helixtrans-88.5-42.4175-155-84.7000111.9T712 E713 E714 V718 A719 E720T712-F716 PolarHBondContact O-N 3.18Å; T712-F716 VanDerWaalsContact O-N 3.13Å; E713-F716 WeakPolarHBondContact O-CB 3.42Å; E713-F716 PolarHBondContact O-N 2.78Å; E713-F716 VanDerWaalsContact O-N 3.16Å; E714-F716 PolarHBondContact O-N 2.79Å; F716-V718 VanDerWaalsContact C-N 3.32Å; F716-V718 PolarHBondContact O-N 2.97Å; F716-A719 WeakPolarHBondContact O-CA 3.3Å; F716-A719 WeakPolarHBondContact O-CB 3.26Å; F716-A719 PolarHBondContact O-N 3.33Å; F716-E720 PolarHBondContact O-N 3.43Å
717E36.1Very low32.8Very low113 Ų113122.1 Ų122.153%0.52867%0.67SS.*Hα-helixtrans-59.2-41.2175.1-72.2-176.515200111.6E713 A719 E720 D721E713-E717 PolarHBondContact O-N 3.39Å; E717-A719 PolarHBondContact O-N 3.11Å; E717-A719 VanDerWaalsContact O-N 3.15Å; E717-E720 PolarHBondContact O-N 3.31Å; E717-E720 VanDerWaalsContact O-N 3.1Å; E717-D721 PolarHBondContact O-N 2.66Å
718V34.1Very low32.6Very low96 Ų96121.4 Ų121.458%0.58267%0.671SS**Hα-helixtrans-63.9-18.1174.81720000113.2E714 F716E714-V718 WeakPolarHBondContact O-CG2 3.43Å; E714-V718 PolarHBondContact O-N 3.14Å; F716-V718 VanDerWaalsContact C-N 3.32Å; F716-V718 PolarHBondContact O-N 2.97Å
719A32.6Very low32.6Very low58 Ų58123 Ų12348%0.47967%0.67SS.*Hα-helixtrans-89.5-22.5174.900000113.5F716 E717F716-A719 WeakPolarHBondContact O-CA 3.3Å; F716-A719 WeakPolarHBondContact O-CB 3.26Å; F716-A719 PolarHBondContact O-N 3.33Å; E717-A719 PolarHBondContact O-N 3.11Å; E717-A719 VanDerWaalsContact O-N 3.15Å
720E33.8Very low32.5Very low129 Ų129128.7 Ų128.760%0.60368%0.678SS**Hα-helixtrans-77.6-39171.2-72-162.4122.900111.8F716 E717 F722 L723F716-E720 PolarHBondContact O-N 3.43Å; E717-E720 PolarHBondContact O-N 3.31Å; E717-E720 VanDerWaalsContact O-N 3.1Å; E720-F722 PolarHBondContact O-N 3.45Å; E720-F722 VanDerWaalsContact O-N 3.08Å; E720-L723 PolarHBondContact O-N 2.96Å
721D31.2Very low32.3Very low138 Ų138132.3 Ų132.374%0.73868%0.681SS**G310 helixtrans-60.6-18.3176.7-90.6-8.4000113.4E717 L723E717-D721 PolarHBondContact O-N 2.66Å; D721-L723 VanDerWaalsContact C-N 3.3Å; D721-L723 PolarHBondContact O-N 2.66Å
722F31.4Very low31.9Very low180 Ų180134.9 Ų134.979%0.78970%0.699SS**G310 helixtrans-83.65.7179.2-113.7-81.8000115E720E720-F722 PolarHBondContact O-N 3.45Å; E720-F722 VanDerWaalsContact O-N 3.08Å
723L31.9Very low31.3Very low153 Ų153141.5 Ų141.580%0.80172%0.722SS**G310 helixtrans-116.710.4-178.3-72.7172.7000114.6E720 D721E720-L723 PolarHBondContact O-N 2.96Å; D721-L723 VanDerWaalsContact C-N 3.3Å; D721-L723 PolarHBondContact O-N 2.66Å
724I31.1Very low30.9Very low143 Ų143145.2 Ų145.273%0.73373%0.729SS**  trans-134.883.3176-49.2179.1000111.1
725D28.8Very low30.4Very low162 Ų162143.2 Ų143.287%0.86673%0.731SS**  trans-165.9111.6144.7-114.5-15000110.6
726D30.8Very low30.1Very low152 Ų152144.2 Ų144.281%0.81374%0.739SS**SBendtrans-152.9152.7140.8-151.1-14.7000110.1
727V33.1Very low29.8Very low132 Ų132142.4 Ų142.480%0.874%0.742SS**SBendtrans51.178.1177.4-163.10000115.6
728G26.9Very low29.7Very low70 Ų70142.3 Ų142.372%0.72275%0.745SS**  trans-83.5149.3175.200000115.4
729N29.7Very low29.7Very low151 Ų151142.3 Ų142.381%0.80774%0.742SS**  trans-142.5168.9155.7-130.9-35.7000113.2
730K28.4Very low29.9Very low178 Ų178142.5 Ų142.577%0.77474%0.74SS**  trans-95.2121.1-142.7-68.8154.5-176.4154.30117.3
731R26Very low30Very low236 Ų236138.9 Ų138.989%0.89173%0.732SS**  trans72.3167.7143-65.6179.1175.8-166.80.3117.7
732P26.5Very low30.2Very low120 Ų120136 Ų13678%0.77972%0.72SS**  cis-120.7163-3.338.8-25.3000115.9
733K24.2Very low30.3Very low207 Ų207132.7 Ų132.790%0.971%0.705SS**  trans-65.6137.1177.1-60.2-179.6176.4-1730113
734R25.5Very low30.5Very low246 Ų246132.2 Ų132.293%0.92869%0.692SS**  trans-131.9150.9146.3-85.3-169.6171.1-179-2.2109.6
735S24.8Very low30.9Very low105 Ų105128.6 Ų128.673%0.73468%0.677SS**  trans-78140.7-168.946.20000113.5
736L28.2Very low31.2Very low134 Ų134123.7 Ų123.770%0.70265%0.65SS**  trans-145.529.5173.9-108159000111.2D738 D739L736-D738 VanDerWaalsContact C-N 3.34Å; L736-D738 PolarHBondContact O-N 2.8Å; L736-D739 VanDerWaalsContact CD2-OD2 3.28Å; L736-D739 WeakPolarHBondContact CD2-OD2 3.16Å
737S30.8Very low31.3Very low87 Ų87123.3 Ų123.361%0.60864%0.641SS**  trans-74.4-18.4-175.447.20000114.8
738D33.7Very low31.4Very low112 Ų112126.1 Ų126.160%0.59964%0.637SS**SBendtrans-96.5-33.3-162-57.4-18.2000112.6L736 S740 A741 T742L736-D738 VanDerWaalsContact C-N 3.34Å; L736-D738 PolarHBondContact O-N 2.8Å; D738-S740 VanDerWaalsContact C-N 3.3Å; D738-S740 PolarHBondContact O-N 3.04Å; D738-A741 WeakPolarHBondContact O-CB 3.45Å; D738-A741 PolarHBondContact O-N 3.21Å; D738-T742 PolarHBondContact O-N 3.29Å; D738-T742 PolarHBondContact O-OG1 3.06Å
739D34.7Very low31.8Very low96 Ų96128.4 Ų128.451%0.51363%0.628SS.*Hα-helixtrans-67.2-29.8-173.6-62.8-42.9000113.4L736 A741 T742 F743L736-D739 VanDerWaalsContact CD2-OD2 3.28Å; L736-D739 WeakPolarHBondContact CD2-OD2 3.16Å; D739-A741 VanDerWaalsContact C-N 3.29Å; D739-A741 PolarHBondContact O-N 3.47Å; D739-T742 WeakPolarHBondContact O-CB 3.21Å; D739-T742 PolarHBondContact O-N 3.09Å; D739-F743 PolarHBondContact O-N 3.23Å; D739-F743 VanDerWaalsContact O-N 3.14Å
740S37Very low31.9Very low62 Ų62123.8 Ų123.843%0.43461%0.61SS.*Hα-helixtrans-65.2-31.8173.6-169.40000112.4D738 R744D738-S740 VanDerWaalsContact C-N 3.3Å; D738-S740 PolarHBondContact O-N 3.04Å; S740-R744 WeakPolarHBondContact O-CG 3.17Å; S740-R744 PolarHBondContact O-N 3.23Å; S740-R744 PolarHBondContact OG-NH1 2.95Å
741A36.2Very low32.2Very low53 Ų53121.5 Ų121.544%0.43861%0.611SS.*Hα-helixtrans-71.7-37.3174.500000111.3D738 D739 T745D738-A741 WeakPolarHBondContact O-CB 3.45Å; D738-A741 PolarHBondContact O-N 3.21Å; D739-A741 VanDerWaalsContact C-N 3.29Å; D739-A741 PolarHBondContact O-N 3.47Å; A741-T745 VanDerWaalsContact O-CB 3.25Å; A741-T745 WeakPolarHBondContact O-CB 3.45Å; A741-T745 PolarHBondContact O-N 3.28Å; A741-T745 PolarHBondContact O-OG1 3.28Å
742T35.2Very low32.6Very low78 Ų78114.7 Ų114.748%0.47960%0.599SS.*Hα-helixtrans-60.8-49.4176.3-530000111.3D738 D739 T745 I746D738-T742 PolarHBondContact O-N 3.29Å; D738-T742 PolarHBondContact O-OG1 3.06Å; D739-T742 WeakPolarHBondContact O-CB 3.21Å; D739-T742 PolarHBondContact O-N 3.09Å; T742-T745 PolarHBondContact O-N 3.2Å; T742-T745 VanDerWaalsContact O-N 3.15Å; T742-I746 HydrophobicContact CG2-CD1 4.01Å; T742-I746 WeakPolarHBondContact O-CG1 3.38Å; T742-I746 PolarHBondContact O-N 3.33Å
743F33.9Very low32.8Very low110 Ų110111 Ų11148%0.48258%0.576SS.*Hα-helixtrans-63.1-45.5179.5-162.7-96.3000112.4D739 T745 I746 K747 W768D739-F743 PolarHBondContact O-N 3.23Å; D739-F743 VanDerWaalsContact O-N 3.14Å; F743-T745 VanDerWaalsContact C-N 3.28Å; F743-T745 PolarHBondContact O-N 2.97Å; F743-I746 PolarHBondContact O-N 2.8Å; F743-K747 WeakPolarHBondContact O-CB 3.28Å; F743-K747 PolarHBondContact O-N 2.9Å; F743-W768 HydrophobicContact CD2-CZ2 4.38Å; F743-W768 HydrophobicContact CE2-CH2 4.18Å; F743-W768 HydrophobicContact CE2-CZ2 4.11Å; F743-W768 HydrophobicContact CE2-CZ3 4.47Å
744R36.1Very low33.1Very low142 Ų142107.5 Ų107.554%0.53658%0.578SS.*Hα-helixtrans-62.2-33.8173.8-70.9-177.4178.6120.4-17.5112.4S740 R748S740-R744 WeakPolarHBondContact O-CG 3.17Å; S740-R744 PolarHBondContact O-N 3.23Å; S740-R744 PolarHBondContact OG-NH1 2.95Å; R744-R748 WeakPolarHBondContact O-CB 3.36Å; R744-R748 WeakPolarHBondContact O-CG 3.38Å; R744-R748 PolarHBondContact O-N 3.22Å
745T38.8Very low33.5Very low67 Ų67100.6 Ų100.641%0.41157%0.568SS.*Hα-helixtrans-72.9-40.6178.1-60.90000112.4A741 T742 F743 K749A741-T745 VanDerWaalsContact O-CB 3.25Å; A741-T745 WeakPolarHBondContact O-CB 3.45Å; A741-T745 PolarHBondContact O-N 3.28Å; A741-T745 PolarHBondContact O-OG1 3.28Å; T742-T745 PolarHBondContact O-N 3.2Å; T742-T745 VanDerWaalsContact O-N 3.15Å; F743-T745 VanDerWaalsContact C-N 3.28Å; F743-T745 PolarHBondContact O-N 2.97Å; T745-K749 HydrophobicContact CG2-CD 4.21Å; T745-K749 WeakPolarHBondContact O-CB 3.42Å; T745-K749 WeakPolarHBondContact O-CG 3.43Å; T745-K749 PolarHBondContact O-N 3.47Å
746I35Very low33.9Very low59 Ų5999.5 Ų99.530%0.30355%0.553SS.*Hα-helixtrans-64.1-49.2174.2-67.9167.9000109.6T742 F743 R748 K749 A750 L761T742-I746 HydrophobicContact CG2-CD1 4.01Å; T742-I746 WeakPolarHBondContact O-CG1 3.38Å; T742-I746 PolarHBondContact O-N 3.33Å; F743-I746 PolarHBondContact O-N 2.8Å; I746-R748 VanDerWaalsContact C-N 3.34Å; I746-R748 PolarHBondContact O-N 3.07Å; I746-K749 PolarHBondContact O-N 3.48Å; I746-A750 WeakPolarHBondContact O-CB 3.32Å; I746-A750 PolarHBondContact O-N 3.29Å; I746-L761 HydrophobicContact CG2-CD1 4.11Å
747K33.3Very low34.2Very low145 Ų14596.5 Ų96.563%0.6354%0.542SS*.Hα-helixtrans-59.7-41.3178.4-164.9172.4-176.4178.80112.3F743 V751F743-K747 WeakPolarHBondContact O-CB 3.28Å; F743-K747 PolarHBondContact O-N 2.9Å; K747-V751 WeakPolarHBondContact O-CG2 3.48Å; K747-V751 PolarHBondContact O-N 3.28Å
748R35.5Very low34.3Very low190 Ų19098.4 Ų98.472%0.71755%0.55SS*.Hα-helixtrans-66.4-44.4174.6-76.8176.2175.1164.4-0.2112.6R744 I746 V751 S752R744-R748 WeakPolarHBondContact O-CB 3.36Å; R744-R748 WeakPolarHBondContact O-CG 3.38Å; R744-R748 PolarHBondContact O-N 3.22Å; I746-R748 VanDerWaalsContact C-N 3.34Å; I746-R748 PolarHBondContact O-N 3.07Å; R748-V751 PolarHBondContact O-N 3.5Å; R748-S752 VanDerWaalsContact O-CB 3.24Å; R748-S752 WeakPolarHBondContact O-CB 3.3Å; R748-S752 PolarHBondContact O-N 2.93Å; R748-S752 VanDerWaalsContact O-N 3.08Å; R748-S752 PolarHBondContact O-OG 3.13Å
749K33.6Very low34.3Very low119 Ų11998.6 Ų98.652%0.51754%0.542SS..Hα-helixtrans-70.2-36.1-179.4-75.8-176.9176.7-178.50114T745 I746 V751 S752 S753 L756T745-K749 HydrophobicContact CG2-CD 4.21Å; T745-K749 WeakPolarHBondContact O-CB 3.42Å; T745-K749 WeakPolarHBondContact O-CG 3.43Å; T745-K749 PolarHBondContact O-N 3.47Å; I746-K749 PolarHBondContact O-N 3.48Å; K749-V751 VanDerWaalsContact C-N 3.29Å; K749-V751 PolarHBondContact O-N 3.47Å; K749-S752 PolarHBondContact O-N 3.45Å; K749-S753 PolarHBondContact O-N 2.78Å; K749-S753 PolarHBondContact O-OG 3.09Å; K749-L756 HydrophobicContact CB-CD1 4.29Å
750A32.8Very low34.5Very low53 Ų5397.9 Ų97.944%0.43854%0.538SS..Hα-helixtrans-63.8-35175.300000112I746 L761I746-A750 WeakPolarHBondContact O-CB 3.32Å; I746-A750 PolarHBondContact O-N 3.29Å; A750-L761 HydrophobicContact CB-CD1 4.48Å
751V34.3Very low34.5Very low130 Ų13098.4 Ų98.479%0.78854%0.535SS*.Hα-helixtrans-81.8-19.9176.5175.50000112.6K747 R748 K749K747-V751 WeakPolarHBondContact O-CG2 3.48Å; K747-V751 PolarHBondContact O-N 3.28Å; R748-V751 PolarHBondContact O-N 3.5Å; K749-V751 VanDerWaalsContact C-N 3.29Å; K749-V751 PolarHBondContact O-N 3.47Å
752S34.9Very low34.5Very low93 Ų9398 Ų9865%0.6553%0.532SS*.SBendtrans-112.59.6-170.1870000116.5R748 K749R748-S752 VanDerWaalsContact O-CB 3.24Å; R748-S752 WeakPolarHBondContact O-CB 3.3Å; R748-S752 PolarHBondContact O-N 2.93Å; R748-S752 VanDerWaalsContact O-N 3.08Å; R748-S752 PolarHBondContact O-OG 3.13Å; K749-S752 PolarHBondContact O-N 3.45Å
753S29.7Very low34.8Very low42 Ų4297.9 Ų97.929%0.29453%0.529SS..  trans-147.3111.3179.858.80000114.5K749 S755 L756K749-S753 PolarHBondContact O-N 2.78Å; K749-S753 PolarHBondContact O-OG 3.09Å; S753-S755 PolarHBondContact O-N 2.83Å; S753-L756 WeakPolarHBondContact OG-CD1 3.21Å
754S31.9Very low35.2Very low135 Ų13597.5 Ų97.594%0.94453%0.527SS*.THydrogen-bonded Turntrans-75.233.4174.959.80000113.3
755S33Very low35.3Very low101 Ų10193.3 Ų93.371%0.70652%0.517SS*.THydrogen-bonded Turntrans-15813.6-16872.80000115.8S753S753-S755 PolarHBondContact O-N 2.83Å
756L33.7Very low35.4Very low81 Ų8193.3 Ų93.342%0.42452%0.517SS..  trans-81.7130.8169.5-84.3170.1000109.9K749 S753 V758K749-L756 HydrophobicContact CB-CD1 4.29Å; S753-L756 WeakPolarHBondContact OG-CD1 3.21Å; L756-V758 PolarHBondContact O-N 3.38Å
757P34.7Very low35.8Very low72 Ų7297.1 Ų97.147%0.46853%0.533SS..  trans-60.9134.5172.2-2132.9000110.6R759 D760P757-R759 PolarHBondContact O-N 2.89Å; P757-R759 VanDerWaalsContact O-N 3.07Å; P757-D760 PolarHBondContact O-N 2.79Å
758V32.9Very low36.3Very low127 Ų12795.3 Ų95.377%0.7752%0.523SS*.Hα-helixtrans-54.7-31.4179.6-179.90000112L756 L761 A762L756-V758 PolarHBondContact O-N 3.38Å; V758-L761 PolarHBondContact O-N 2.96Å; V758-A762 WeakPolarHBondContact O-CB 3.49Å; V758-A762 PolarHBondContact O-N 3.18Å
759R33.5Very low36.4Very low116 Ų11688.9 Ų88.944%0.43850%0.502SS..Hα-helixtrans-55.1-55.9172.1-98.5-176.5-173.4155.58.4113.9P757 L761 A762 D763 Y818P757-R759 PolarHBondContact O-N 2.89Å; P757-R759 VanDerWaalsContact O-N 3.07Å; R759-L761 PolarHBondContact O-N 3.44Å; R759-A762 PolarHBondContact O-N 3.37Å; R759-A762 VanDerWaalsContact O-N 3.08Å; R759-D763 WeakPolarHBondContact O-CB 3.35Å; R759-D763 VanDerWaalsContact O-CG 3.32Å; R759-D763 PolarHBondContact O-N 3.06Å; R759-Y818 WeakPolarHBondContact CD-OH 3.48Å; R759-Y818 PolarHBondContact NE-OH 3.14Å; R759-Y818 VanDerWaalsContact NH2-CE1 3.26Å
760D38.2Very low36.7Very low81 Ų8187.7 Ų87.743%0.43351%0.505SS..Hα-helixtrans-61.2-22.6-176.1-7836.2000112.9P757 K764P757-D760 PolarHBondContact O-N 2.79Å; D760-K764 WeakPolarHBondContact O-CD 3.26Å; D760-K764 WeakPolarHBondContact O-CG 3.22Å
761L36.8Very low37.2Very low72 Ų7286.7 Ų86.738%0.37750%0.495SS..Hα-helixtrans-83.4-50.9173-165.769.5000110.8I746 A750 V758 R759 D763 K764 T765I746-L761 HydrophobicContact CG2-CD1 4.11Å; A750-L761 HydrophobicContact CB-CD1 4.48Å; V758-L761 PolarHBondContact O-N 2.96Å; R759-L761 PolarHBondContact O-N 3.44Å; L761-D763 PolarHBondContact O-N 3.07Å; L761-K764 PolarHBondContact O-N 2.88Å; L761-T765 PolarHBondContact O-N 3.06Å; L761-T765 PolarHBondContact O-OG1 2.95Å; L761-T765 VanDerWaalsContact O-OG1 3.1Å
762A37.6Very low37.6Very low45 Ų4586.7 Ų86.737%0.37249%0.486SS..Hα-helixtrans-58.4-48.6179.200000112.5V758 R759 K764 T765 V766V758-A762 WeakPolarHBondContact O-CB 3.49Å; V758-A762 PolarHBondContact O-N 3.18Å; R759-A762 PolarHBondContact O-N 3.37Å; R759-A762 VanDerWaalsContact O-N 3.08Å; A762-K764 VanDerWaalsContact C-N 3.25Å; A762-K764 PolarHBondContact O-N 3.36Å; A762-T765 PolarHBondContact O-N 3.39Å; A762-T765 VanDerWaalsContact O-N 3.13Å; A762-V766 WeakPolarHBondContact O-CG2 3.26Å; A762-V766 PolarHBondContact O-N 3.2Å
763D40.5Very low38.1Very low75 Ų7584.8 Ų84.840%0.40148%0.476SS..Hα-helixtrans-58.4-39-179.5-67.5-23.3000110.8R759 L761 E767R759-D763 WeakPolarHBondContact O-CB 3.35Å; R759-D763 VanDerWaalsContact O-CG 3.32Å; R759-D763 PolarHBondContact O-N 3.06Å; L761-D763 PolarHBondContact O-N 3.07Å; D763-E767 WeakPolarHBondContact O-CB 3.43Å; D763-E767 PolarHBondContact O-N 2.62Å
764K42.3Very low38.8Very low103 Ų10383.4 Ų83.445%0.44847%0.467SS..Hα-helixtrans-77.6-30.3177.1-74.1177.1-177.3152.70114.2D760 L761 A762 W768D760-K764 WeakPolarHBondContact O-CD 3.26Å; D760-K764 WeakPolarHBondContact O-CG 3.22Å; L761-K764 PolarHBondContact O-N 2.88Å; A762-K764 VanDerWaalsContact C-N 3.25Å; A762-K764 PolarHBondContact O-N 3.36Å; K764-W768 WeakPolarHBondContact O-CB 3.35Å; K764-W768 PolarHBondContact O-N 3.3Å
765T39Very low39.4Very low54 Ų5484.5 Ų84.533%0.33145%0.451SS..Hα-helixtrans-68.3-39.3171.8-61.10000110.4L761 A762 W768 L769L761-T765 PolarHBondContact O-N 3.06Å; L761-T765 PolarHBondContact O-OG1 2.95Å; L761-T765 VanDerWaalsContact O-OG1 3.1Å; A762-T765 PolarHBondContact O-N 3.39Å; A762-T765 VanDerWaalsContact O-N 3.13Å; T765-W768 PolarHBondContact O-N 3.32Å; T765-L769 HydrophobicContact CG2-CD1 3.84Å; T765-L769 HydrophobicContact CG2-CG 4.38Å; T765-L769 WeakPolarHBondContact O-CB 3.49Å; T765-L769 VanDerWaalsContact O-CG 3.26Å; T765-L769 WeakPolarHBondContact O-CG 3.45Å; T765-L769 PolarHBondContact O-N 3.21Å
766V40.7Very low39.7Very low67 Ų6787.4 Ų87.441%0.40645%0.446SS..Hα-helixtrans-66.5-45.1173173.40000111.5A762 W768 L769 T770A762-V766 WeakPolarHBondContact O-CG2 3.26Å; A762-V766 PolarHBondContact O-N 3.2Å; V766-W768 VanDerWaalsContact C-N 3.25Å; V766-W768 PolarHBondContact O-N 3.21Å; V766-L769 PolarHBondContact O-N 2.6Å; V766-T770 HydrophobicContact CG1-CG2 4.2Å; V766-T770 WeakPolarHBondContact O-CB 3.23Å; V766-T770 WeakPolarHBondContact O-CG2 3.43Å; V766-T770 PolarHBondContact O-N 3.06Å; V766-T770 PolarHBondContact O-OG1 2.78Å
767E43.7Very low40.1Very low139 Ų13990.3 Ų90.365%0.6545%0.452SS*.Hα-helixtrans-57.9-35.8175-172.4174.7-136.100112.4D763D763-E767 WeakPolarHBondContact O-CB 3.43Å; D763-E767 PolarHBondContact O-N 2.62Å
768W43.3Very low40.4Very low106 Ų10687.7 Ų87.740%0.40244%0.437SS..Hα-helixtrans-75.4-47.5173.9-176.872.7000113F743 K764 T765 V766 T770 S771 A774F743-W768 HydrophobicContact CD2-CZ2 4.38Å; F743-W768 HydrophobicContact CE2-CH2 4.18Å; F743-W768 HydrophobicContact CE2-CZ2 4.11Å; F743-W768 HydrophobicContact CE2-CZ3 4.47Å; K764-W768 WeakPolarHBondContact O-CB 3.35Å; K764-W768 PolarHBondContact O-N 3.3Å; T765-W768 PolarHBondContact O-N 3.32Å; V766-W768 VanDerWaalsContact C-N 3.25Å; V766-W768 PolarHBondContact O-N 3.21Å; W768-T770 VanDerWaalsContact C-N 3.31Å; W768-T770 PolarHBondContact O-N 3.17Å; W768-S771 VanDerWaalsContact O-CB 3.24Å; W768-S771 WeakPolarHBondContact O-CB 3.32Å; W768-S771 PolarHBondContact O-N 2.84Å; W768-S771 VanDerWaalsContact O-N 3.09Å; W768-S771 PolarHBondContact O-OG 2.96Å; W768-A774 WeakPolarHBondContact O-CB 3.34Å
769L37.4Very low40.7Very low56 Ų5687.5 Ų87.529%0.29343%0.432SS..Hα-helixtrans-65.3-31.7-177.9-73.7170000113.2T765 V766 S771 M787T765-L769 HydrophobicContact CG2-CD1 3.84Å; T765-L769 HydrophobicContact CG2-CG 4.38Å; T765-L769 WeakPolarHBondContact O-CB 3.49Å; T765-L769 VanDerWaalsContact O-CG 3.26Å; T765-L769 WeakPolarHBondContact O-CG 3.45Å; T765-L769 PolarHBondContact O-N 3.21Å; V766-L769 PolarHBondContact O-N 2.6Å; L769-S771 VanDerWaalsContact C-N 3.27Å; L769-S771 PolarHBondContact O-N 2.69Å; L769-M787 HydrophobicContact CD1-CE 3.77Å
770T39.6Very low40.8Very low93 Ų9391.4 Ų91.457%0.57145%0.446SS*.THydrogen-bonded Turntrans-81.4-3.6175.854.50000113.4V766 W768V766-T770 HydrophobicContact CG1-CG2 4.2Å; V766-T770 WeakPolarHBondContact O-CB 3.23Å; V766-T770 WeakPolarHBondContact O-CG2 3.43Å; V766-T770 PolarHBondContact O-N 3.06Å; V766-T770 PolarHBondContact O-OG1 2.78Å; W768-T770 VanDerWaalsContact C-N 3.31Å; W768-T770 PolarHBondContact O-N 3.17Å
771S44.1Very low40.7Very low32 Ų3292.9 Ų92.922%0.22445%0.449CS..SBendtrans-75.1149.9-179.276.70000113W768 L769 A773 A774 W775W768-S771 VanDerWaalsContact O-CB 3.24Å; W768-S771 WeakPolarHBondContact O-CB 3.32Å; W768-S771 PolarHBondContact O-N 2.84Å; W768-S771 VanDerWaalsContact O-N 3.09Å; W768-S771 PolarHBondContact O-OG 2.96Å; L769-S771 VanDerWaalsContact C-N 3.27Å; L769-S771 PolarHBondContact O-N 2.69Å; S771-A773 PolarHBondContact O-N 2.76Å; S771-A773 VanDerWaalsContact O-N 3.13Å; S771-A773 PolarHBondContact OG-N 3.15Å; S771-A774 PolarHBondContact O-N 3.37Å; S771-A774 VanDerWaalsContact O-N 3.07Å; S771-A774 PolarHBondContact OG-N 3.26Å; S771-W775 PolarHBondContact O-N 2.97Å
772E42.7Very low40.4Very low131 Ų13192.5 Ų92.561%0.61246%0.462SS*.Hα-helixtrans-58-25.9171.7-158.2-166.3148.800112R776E772-R776 WeakPolarHBondContact O-CB 3.43Å; E772-R776 WeakPolarHBondContact O-CD 3.24Å; E772-R776 WeakPolarHBondContact O-CG 3.25Å; E772-R776 PolarHBondContact O-N 3.38Å; E772-R776 IonicContact OE1-CZ 3.78Å; E772-R776 IonicContact OE1-NE 2.91Å; E772-R776 PolarHBondContact OE1-NE 3.14Å; E772-R776 IonicContact OE1-NH2 3.18Å; E772-R776 PolarHBondContact OE1-NH2 3.49Å
773A44.7Very low40.2Very low52 Ų5295.7 Ų95.743%0.4347%0.468SS..Hα-helixtrans-68.9-38.2176.100000112.7S771 R776 Y777S771-A773 PolarHBondContact O-N 2.76Å; S771-A773 VanDerWaalsContact O-N 3.13Å; S771-A773 PolarHBondContact OG-N 3.15Å; A773-R776 PolarHBondContact O-N 2.89Å; A773-Y777 WeakPolarHBondContact O-CB 3.48Å; A773-Y777 PolarHBondContact O-N 3.5Å
774A43.5Very low39.7Very low14 Ų14100.7 Ų100.712%0.11649%0.486CS..Hα-helixtrans-68.2-3917500000111.8W768 S771 Y777 A778W768-A774 WeakPolarHBondContact O-CB 3.34Å; S771-A774 PolarHBondContact O-N 3.37Å; S771-A774 VanDerWaalsContact O-N 3.07Å; S771-A774 PolarHBondContact OG-N 3.26Å; A774-Y777 WeakPolarHBondContact O-CB 3.48Å; A774-Y777 PolarHBondContact O-N 3.23Å; A774-A778 PolarHBondContact O-N 2.71Å
775W45.6Very low39.1Very low157 Ų157100.4 Ų100.460%0.59550%0.495SS*.Hα-helixtrans-65-44.4173-78.296.2000112.6S771 Y777 A778 D779S771-W775 PolarHBondContact O-N 2.97Å; W775-Y777 PolarHBondContact O-N 3.32Å; W775-A778 PolarHBondContact O-N 3.43Å; W775-D779 WeakPolarHBondContact O-CB 3.09Å; W775-D779 PolarHBondContact O-N 2.65Å
776R40Very low38.5Very low162 Ų162102 Ų10261%0.61151%0.513SS*.Hα-helixtrans-63-24.1172.5-72.8167.2176.1-120.86.5113.1E772 A773 R780E772-R776 WeakPolarHBondContact O-CB 3.43Å; E772-R776 WeakPolarHBondContact O-CD 3.24Å; E772-R776 WeakPolarHBondContact O-CG 3.25Å; E772-R776 PolarHBondContact O-N 3.38Å; E772-R776 IonicContact OE1-CZ 3.78Å; E772-R776 IonicContact OE1-NE 2.91Å; E772-R776 PolarHBondContact OE1-NE 3.14Å; E772-R776 IonicContact OE1-NH2 3.18Å; E772-R776 PolarHBondContact OE1-NH2 3.49Å; A773-R776 PolarHBondContact O-N 2.89Å; R776-R780 WeakPolarHBondContact O-CB 3.32Å; R776-R780 PolarHBondContact O-N 3.09Å
777Y41.4Very low37.8Very low142 Ų142104.4 Ų104.456%0.55752%0.521SS*.Hα-helixtrans-75.7-49.4171.7-170.3-84.4000110.9A773 A774 W775 R780 F781A773-Y777 WeakPolarHBondContact O-CB 3.48Å; A773-Y777 PolarHBondContact O-N 3.5Å; A774-Y777 WeakPolarHBondContact O-CB 3.48Å; A774-Y777 PolarHBondContact O-N 3.23Å; W775-Y777 PolarHBondContact O-N 3.32Å; Y777-R780 PolarHBondContact O-N 3.44Å; Y777-F781 AromaticContact CD1-CD2 3.81Å; Y777-F781 HydrophobicContact CD1-CD2 3.81Å; Y777-F781 HydrophobicContact CD1-CE2 4.32Å; Y777-F781 HydrophobicContact CD2-CD2 4.1Å; Y777-F781 AromaticContact CD2-CE2 3.8Å; Y777-F781 HydrophobicContact CD2-CE2 3.8Å; Y777-F781 AromaticContact CE1-CD2 3.69Å; Y777-F781 HydrophobicContact CE1-CD2 3.69Å; Y777-F781 HydrophobicContact CE1-CE2 4.07Å; Y777-F781 AromaticContact CE2-CD2 4Å; Y777-F781 HydrophobicContact CE2-CD2 4Å; Y777-F781 AromaticContact CE2-CE2 3.52Å; Y777-F781 HydrophobicContact CE2-CE2 3.52Å; Y777-F781 HydrophobicContact CG-CD2 4.01Å; Y777-F781 HydrophobicContact CG-CE2 4.19Å; Y777-F781 AromaticContact CZ-CD2 3.78Å; Y777-F781 AromaticContact CZ-CE2 3.66Å; Y777-F781 VanDerWaalsContact O-CD2 3.26Å; Y777-F781 WeakPolarHBondContact O-CD2 3.08Å; Y777-F781 PolarHBondContact O-N 2.69Å; Y777-F781 VanDerWaalsContact O-N 3.11Å
778A40.1Very low36.8Very low18 Ų18103.8 Ų103.815%0.14953%0.528CS..Hα-helixtrans-60.6-46.6179.400000112.9A774 W775 R780 F781 G782A774-A778 PolarHBondContact O-N 2.71Å; W775-A778 PolarHBondContact O-N 3.43Å; A778-R780 VanDerWaalsContact C-N 3.32Å; A778-R780 PolarHBondContact O-N 3.02Å; A778-F781 PolarHBondContact O-N 2.96Å; A778-G782 PolarHBondContact O-N 3.38Å
779D40.3Very low35.9Very low122 Ų122105.9 Ų105.965%0.65254%0.543SS*.Hα-helixtrans-62.5-38.1177.9-170.556.5000111.9W775W775-D779 WeakPolarHBondContact O-CB 3.09Å; W775-D779 PolarHBondContact O-N 2.65Å
780R34.4Very low35.2Very low198 Ų198112.9 Ų112.975%0.74757%0.572SS**Hα-helixtrans-70.8-30.3179-171.5176.8-129.4-152.4-1113.7R776 Y777 A778R776-R780 WeakPolarHBondContact O-CB 3.32Å; R776-R780 PolarHBondContact O-N 3.09Å; Y777-R780 PolarHBondContact O-N 3.44Å; A778-R780 VanDerWaalsContact C-N 3.32Å; A778-R780 PolarHBondContact O-N 3.02Å
781F37.4Very low34.5Very low113 Ų113115 Ų11550%0.49659%0.585SS.*Hα-helixtrans-103.2-2.5-178.8-70.7-66.5000114.6Y777 A778 K783Y777-F781 AromaticContact CD1-CD2 3.81Å; Y777-F781 HydrophobicContact CD1-CD2 3.81Å; Y777-F781 HydrophobicContact CD1-CE2 4.32Å; Y777-F781 HydrophobicContact CD2-CD2 4.1Å; Y777-F781 AromaticContact CD2-CE2 3.8Å; Y777-F781 HydrophobicContact CD2-CE2 3.8Å; Y777-F781 AromaticContact CE1-CD2 3.69Å; Y777-F781 HydrophobicContact CE1-CD2 3.69Å; Y777-F781 HydrophobicContact CE1-CE2 4.07Å; Y777-F781 AromaticContact CE2-CD2 4Å; Y777-F781 HydrophobicContact CE2-CD2 4Å; Y777-F781 AromaticContact CE2-CE2 3.52Å; Y777-F781 HydrophobicContact CE2-CE2 3.52Å; Y777-F781 HydrophobicContact CG-CD2 4.01Å; Y777-F781 HydrophobicContact CG-CE2 4.19Å; Y777-F781 AromaticContact CZ-CD2 3.78Å; Y777-F781 AromaticContact CZ-CE2 3.66Å; Y777-F781 VanDerWaalsContact O-CD2 3.26Å; Y777-F781 WeakPolarHBondContact O-CD2 3.08Å; Y777-F781 PolarHBondContact O-N 2.69Å; Y777-F781 VanDerWaalsContact O-N 3.11Å; A778-F781 PolarHBondContact O-N 2.96Å; F781-K783 PolarHBondContact O-N 2.7Å; F781-K783 VanDerWaalsContact O-N 3.14Å
782G30.6Very low33.5Very low63 Ų63118.1 Ų118.165%0.64961%0.607SS**THydrogen-bonded Turntrans67.19.4177.200000114.9A778A778-G782 PolarHBondContact O-N 3.38Å
783K32.2Very low32.6Very low112 Ų112119 Ų11949%0.48762%0.616SS.*  trans-109113.1179.6-64.1-164.5177.8-164.60109.7E124 F781E124-K783 VanDerWaalsContact OE2-CE 3.3Å; E124-K783 WeakPolarHBondContact OE2-CE 3.24Å; E124-K783 IonicContact OE2-NZ 3.97Å; E124-K783 PolarHBondContact OE2-NZ 2.98Å; F781-K783 PolarHBondContact O-N 2.7Å; F781-K783 VanDerWaalsContact O-N 3.14Å
784K31.5Very low31.6Very low181 Ų181124.2 Ų124.279%0.78764%0.636SS**  trans-54140.4161.3-70.2-175.6177.1-177.90108.1A786K784-A786 VanDerWaalsContact C-N 3.3Å; K784-A786 PolarHBondContact O-N 3.01Å
785P29.3Very low30.8Very low97 Ų97127.5 Ų127.563%0.6366%0.663SS**  trans-75.475.2-170.430.5-36.4000112.9M787P785-M787 PolarHBondContact O-N 2.84Å
786A26.7Very low29.8Very low86 Ų86129.7 Ų129.771%0.71168%0.68SS**  trans-70.1104.7168.800000109.9K784 T788K784-A786 VanDerWaalsContact C-N 3.3Å; K784-A786 PolarHBondContact O-N 3.01Å; A786-T788 PolarHBondContact O-N 2.93Å
787M25.3Very low29.2Very low118 Ų118129 Ų12958%0.58169%0.688SS**  trans-79.886.2179.2-173.1179.1-70.700111.2L769 P785 M789L769-M787 HydrophobicContact CD1-CE 3.77Å; P785-M787 PolarHBondContact O-N 2.84Å; M787-M789 HydrophobicContact CG-CG 4.05Å; M787-M789 PolarHBondContact O-N 3.13Å; M787-M789 HydrophobicContact SD-CG 4.14Å; M787-M789 HydrophobicContact SD-SD 3.97Å
788T22.7Very low28.7Very low127 Ų127124.8 Ų124.878%0.77968%0.679SS**  trans-73.487.1171-40.80000110.4A786A786-T788 PolarHBondContact O-N 2.93Å
789M24.1Very low28.1Very low149 Ų149128.3 Ų128.373%0.73470%0.7SS**  trans-84.1125.7173.5-95.1-173.961.400111.9M787 T791M787-M789 HydrophobicContact CG-CG 4.05Å; M787-M789 PolarHBondContact O-N 3.13Å; M787-M789 HydrophobicContact SD-CG 4.14Å; M787-M789 HydrophobicContact SD-SD 3.97Å; M789-T791 PolarHBondContact O-N 3.24Å
790F22.6Very low27.6Very low203 Ų203129.3 Ų129.389%0.8970%0.696SS**  trans-66.8121.3169.1-69.7-103.2000110.1
791T25.3Very low27.5Very low138 Ų138124.9 Ų124.985%0.84769%0.687SS**  trans-88.3108.7158.350.70000108.6M789M789-T791 PolarHBondContact O-N 3.24Å
792S23.2Very low27.1Very low98 Ų98122.7 Ų122.769%0.68569%0.69SS**  trans-69.5143.4164.554.30000110N794S792-N794 PolarHBondContact O-N 3.11Å
793D22.9Very low27.2Very low149 Ų149123.3 Ų123.380%0.79768%0.678SS**SBendtrans-54.3138.8171.1-54.7-66000110.9
794N24.2Very low27.3Very low162 Ų162119.9 Ų119.987%0.86667%0.674SS**  trans76.471.8176-40.6-83.2000117.2S792S792-N794 PolarHBondContact O-N 3.11Å
795A26.6Very low27.4Very low82 Ų82117.2 Ų117.268%0.67867%0.668SS**  trans-152.4128.7149.400000111.4L797A795-L797 PolarHBondContact O-N 3.05Å
796E25.1Very low27.5Very low203 Ų203117.2 Ų117.295%0.94967%0.666SS**  trans-79.4115.9173.5-64.6179.514900110.2
797L28.1Very low27.5Very low148 Ų148118 Ų11878%0.77566%0.658SS**  trans-127.1142.5170.3-91.4161.7000108.8A795A795-L797 PolarHBondContact O-N 3.05Å
798S30.1Very low27.7Very low54 Ų54118.6 Ų118.638%0.37866%0.659SS.*  trans-80.3151.1-168.491.40000112.1Y800 D801S798-Y800 PolarHBondContact O-N 3.43Å; S798-Y800 PolarHBondContact OG-N 3.31Å; S798-D801 VanDerWaalsContact CB-OD2 3.26Å; S798-D801 WeakPolarHBondContact CB-OD2 3.48Å; S798-D801 PolarHBondContact N-OD2 3.45Å; S798-D801 PolarHBondContact O-N 3.14Å; S798-D801 VanDerWaalsContact O-N 3.08Å; S798-D801 PolarHBondContact OG-OD2 3.4Å
799P28.1Very low28Very low91 Ų91116.5 Ų116.559%0.59165%0.65SS**THydrogen-bonded Turntrans-58.6-14.1176.4-26.535.7000115.1
800Y29Very low28.1Very low144 Ų144117.9 Ų117.957%0.56565%0.654SS**THydrogen-bonded Turntrans-84.3-25.6177.9-69.3-74.6000113.7S798 A802 R851S798-Y800 PolarHBondContact O-N 3.43Å; S798-Y800 PolarHBondContact OG-N 3.31Å; Y800-A802 VanDerWaalsContact C-N 3.3Å; Y800-A802 PolarHBondContact O-N 3.38Å; Y800-R851 PolarHBondContact OH-NH1 2.99Å; Y800-R851 VanDerWaalsContact OH-NH1 3.12Å; Y800-R851 PolarHBondContact OH-NH2 3.3Å
801D33Very low28.4Very low104 Ų104117.6 Ų117.656%0.55665%0.653SS**THydrogen-bonded Turntrans-75.4-21.3-175.8-58.8-67000112.3S798S798-D801 VanDerWaalsContact CB-OD2 3.26Å; S798-D801 WeakPolarHBondContact CB-OD2 3.48Å; S798-D801 PolarHBondContact N-OD2 3.45Å; S798-D801 PolarHBondContact O-N 3.14Å; S798-D801 VanDerWaalsContact O-N 3.08Å; S798-D801 PolarHBondContact OG-OD2 3.4Å
802A29.5Very low28.4Very low67 Ų67114.4 Ų114.455%0.55465%0.647SS**THydrogen-bonded Turntrans-82.9-20.3-17900000114.7Y800 G804Y800-A802 VanDerWaalsContact C-N 3.3Å; Y800-A802 PolarHBondContact O-N 3.38Å; A802-G804 VanDerWaalsContact C-N 3.31Å; A802-G804 PolarHBondContact O-N 2.87Å
803L32.1Very low28.5Very low77 Ų77114.4 Ų114.440%0.40365%0.646SS.*THydrogen-bonded Turntrans-77.8-12.1-169.5-154.487.6000114L805 A844 A848L803-L805 PolarHBondContact O-N 2.79Å; L803-A844 HydrophobicContact CD1-CB 3.7Å; L803-A848 HydrophobicContact CD1-CB 4.38Å; L803-A848 HydrophobicContact CD2-CB 3.92Å
804G34.7Very low28.7Very low39 Ų39112.1 Ų112.140%0.40264%0.637SS.*THydrogen-bonded Turntrans-83.2-2.1-171.900000116.8A802A802-G804 VanDerWaalsContact C-N 3.31Å; A802-G804 PolarHBondContact O-N 2.87Å
805L32.2Very low28.6Very low126 Ų126109.3 Ų109.366%0.6663%0.63SS**SBendtrans-126.20.7-159.4-88.3163000116.8L803L803-L805 PolarHBondContact O-N 2.79Å
806V31.5Very low28.7Very low96 Ų96109.3 Ų109.358%0.58262%0.615SS**  trans-116.8-1.2-163.5-1710000114.4
807L27.5Very low28.7Very low103 Ų103104.6 Ų104.654%0.53960%0.6SS.*  trans-109.278.5-171-66176.6000114.3L832L807-L832 HydrophobicContact CD2-CD2 4.22Å
808E28.6Very low28.5Very low131 Ų131104.5 Ų104.561%0.61259%0.591SS**  trans-140.8119157.1-76-154.7140.500112.5C813E808-C813 PolarHBondContact OE1-SG 2.91Å
809S28.9Very low28.4Very low83 Ų83107.1 Ų107.158%0.5861%0.606SS**  trans-143.9132.8154.474.90000111.7K811S809-K811 VanDerWaalsContact C-N 3.32Å; S809-K811 PolarHBondContact O-N 3.23Å
810E28.1Very low28.3Very low178 Ų178110.7 Ų110.783%0.83262%0.615SS**SBendtrans48.4-30.2167.9-56.7-161.9174.700122.6
811K27Very low28.2Very low197 Ų197109.8 Ų109.886%0.85763%0.627SS**SBendtrans-139.149.1-171.4-67.7-173.5-177.8162.30117.7S809S809-K811 VanDerWaalsContact C-N 3.32Å; S809-K811 PolarHBondContact O-N 3.23Å
812G25.7Very low28.1Very low71 Ų71109.8 Ų109.873%0.73263%0.631SS**  trans107.3147.2153.900000116.4
813C25.8Very low28.4Very low98 Ų98112.1 Ų112.166%0.66263%0.63SS**  trans-81.8146.9-163.3-450000114.9E808E808-C813 PolarHBondContact OE1-SG 2.91Å
814V27.1Very low28.8Very low101 Ų101110.3 Ų110.361%0.61262%0.621SS**  trans-138119.5150.9-177.80000108.2F816V814-F816 HydrophobicContact CG1-CD2 4.33Å; V814-F816 HydrophobicContact CG1-CE2 3.69Å; V814-F816 HydrophobicContact CG1-CZ 4.22Å
815S22.9Very low29.2Very low102 Ų102111.6 Ų111.671%0.71362%0.616SS**  trans-91146.6177.956.20000112.3
816F28.5Very low29.9Very low82 Ų82114.1 Ų114.136%0.3662%0.622SS.*  trans-124.995.8170.5-81.4-79.5000111.2V814 V822 L824V814-F816 HydrophobicContact CG1-CD2 4.33Å; V814-F816 HydrophobicContact CG1-CE2 3.69Å; V814-F816 HydrophobicContact CG1-CZ 4.22Å; F816-V822 HydrophobicContact CE1-CB 4.42Å; F816-L824 HydrophobicContact CE1-CD2 4.48Å; F816-L824 HydrophobicContact CE2-CD2 3.87Å; F816-L824 HydrophobicContact CZ-CD1 4.45Å; F816-L824 HydrophobicContact CZ-CD2 3.48Å; F816-L824 VanDerWaalsContact CZ-CD2 3.48Å; F816-L824 HydrophobicContact CZ-CG 3.93Å
817T24.1Very low30.9Very low105 Ų105111.4 Ų111.464%0.64461%0.606SS**  trans-129.5152.8166.363.80000110.3
818Y24.6Very low32.6Very low146 Ų146109.2 Ų109.257%0.57360%0.599SS**SBendtrans78.3148.3177.7-76.3-110000118.4R759 Q820R759-Y818 WeakPolarHBondContact CD-OH 3.48Å; R759-Y818 PolarHBondContact NE-OH 3.14Å; R759-Y818 VanDerWaalsContact NH2-CE1 3.26Å; Y818-Q820 PolarHBondContact O-N 2.84Å
819P28.2Very low34.3Very low109 Ų109107.5 Ų107.571%0.70859%0.593SS**SBendtrans-99.465-154.539.7-36.5000113.6
820Q25.8Very low36.2Very low165 Ų165104.1 Ų104.177%0.77157%0.568SS**SBendtrans-135.2151.3165.6-75.9-158.1-3.300111Y818 V822Y818-Q820 PolarHBondContact O-N 2.84Å; Q820-V822 VanDerWaalsContact C-N 3.31Å; Q820-V822 PolarHBondContact O-N 3.47Å
821P26.5Very low38.2Very low125 Ų12599 Ų9981%0.81255%0.547SS*.  trans-74.782-174.431.3-36.1000111.3E823P821-E823 PolarHBondContact O-N 3.12Å
822V31.9Very low40.2Very low105 Ų10590.1 Ų90.164%0.63651%0.509SS*.  trans-67.8111.2164.3-179.80000107.4F816 Q820 L824F816-V822 HydrophobicContact CE1-CB 4.42Å; Q820-V822 VanDerWaalsContact C-N 3.31Å; Q820-V822 PolarHBondContact O-N 3.47Å; V822-L824 PolarHBondContact O-N 2.99Å
823E35.3Very low42.1Very low115 Ų11588.3 Ų88.354%0.53748%0.484SS..  trans-65.7123.3-179.6-64.1-168.173.800110.9P821 Q825P821-E823 PolarHBondContact O-N 3.12Å; E823-Q825 HydrophobicContact CB-CG 3.9Å; E823-Q825 PolarHBondContact O-N 3.14Å; E823-Q825 PolarHBondContact OE1-NE2 2.91Å; E823-Q825 PolarHBondContact OE2-NE2 3.4Å
824L40.1Very low43.6Very low40 Ų4090.2 Ų90.221%0.20949%0.488CS..  trans-72.260.2171.9-81.5155.6000111.2F816 V822 V827 M852 N853F816-L824 HydrophobicContact CE1-CD2 4.48Å; F816-L824 HydrophobicContact CE2-CD2 3.87Å; F816-L824 HydrophobicContact CZ-CD1 4.45Å; F816-L824 HydrophobicContact CZ-CD2 3.48Å; F816-L824 VanDerWaalsContact CZ-CD2 3.48Å; F816-L824 HydrophobicContact CZ-CG 3.93Å; V822-L824 PolarHBondContact O-N 2.99Å; L824-V827 HydrophobicContact CD2-CG2 3.65Å; L824-M852 HydrophobicContact CB-CG 3.9Å; L824-M852 HydrophobicContact CD1-CE 3.95Å; L824-M852 HydrophobicContact CD2-CE 4.4Å; L824-N853 PolarHBondContact O-N 3.34Å
825Q44.1Very low45Very low66 Ų6687.7 Ų87.731%0.30847%0.473SS..  trans-81.4-8.4-176.5-87.5-179.418.400114.3E823 N853 S854E823-Q825 HydrophobicContact CB-CG 3.9Å; E823-Q825 PolarHBondContact O-N 3.14Å; E823-Q825 PolarHBondContact OE1-NE2 2.91Å; E823-Q825 PolarHBondContact OE2-NE2 3.4Å; Q825-N853 HydrophobicContact CG-CB 4.07Å; Q825-N853 WeakPolarHBondContact CG-ND2 3.47Å; Q825-S854 VanDerWaalsContact O-CB 3.26Å; Q825-S854 WeakPolarHBondContact O-CB 3.26Å; Q825-S854 PolarHBondContact O-OG 3Å
826F45.1Very low46.5Very low179 Ų17987.7 Ų87.779%0.78548%0.479SS*.SBendtrans-1333.1-168.2-59.4-72.5000117.1S828 S854F826-S828 PolarHBondContact O-N 2.96Å; F826-S854 WeakPolarHBondContact CA-OG 3.39Å; F826-S854 PolarHBondContact N-OG 3.3Å
827V53.7Low48.1Very low39 Ų3985 Ų8524%0.23647%0.468CS..  trans-76.5121.3173.3177.40000109.2L824 I830 S854 L855L824-V827 HydrophobicContact CD2-CG2 3.65Å; V827-I830 HydrophobicContact CG1-CG1 4Å; V827-S854 PolarHBondContact N-OG 3.49Å; V827-S854 CarbonylContact O-C 3.45Å; V827-S854 PolarHBondContact O-OG 2.94Å; V827-L855 HydrophobicContact CG1-CD1 4.28Å; V827-L855 WeakPolarHBondContact O-CA 3.42Å; V827-L855 PolarHBondContact O-N 2.86Å; V827-L855 VanDerWaalsContact O-N 3.15Å
828S61.9Low50Low57 Ų5784 Ų8440%0.39946%0.462SS..  trans-109.1-21.1-175.662.60000115.2F826 K856 Q857F826-S828 PolarHBondContact O-N 2.96Å; S828-K856 WeakPolarHBondContact O-CA 3.42Å; S828-K856 WeakPolarHBondContact O-CB 3.23Å; S828-K856 PolarHBondContact O-N 2.86Å; S828-Q857 PolarHBondContact O-N 3.33Å; S828-Q857 VanDerWaalsContact O-N 3.1Å
829I65.8Low51.7Low95 Ų9579.4 Ų79.449%0.48745%0.449SS..EExtended strand (participates in β ladder)trans-137.3138.1175.6-53.5-177.5000107.7Q857I829-Q857 CarbonylContact C-O 3.34Å; I829-Q857 WeakPolarHBondContact CA-O 3.4Å; I829-Q857 HydrophobicContact CB-CB 4.43Å; I829-Q857 HydrophobicContact CG1-CB 4.17Å; I829-Q857 HydrophobicContact CG2-CB 4.17Å; I829-Q857 HydrophobicContact CG2-CG 4.2Å
830I68.2Low53.1Low11 Ų1180.2 Ų80.26%0.05645%0.447CS..EExtended strand (participates in β ladder)trans-119.8128.8163.4-68.9168.6000106.9V827 L832 M852 L855 Q857 L858 L859V827-I830 HydrophobicContact CG1-CG1 4Å; I830-L832 HydrophobicContact CG2-CD1 3.98Å; I830-L832 HydrophobicContact CG2-CG 3.87Å; I830-M852 HydrophobicContact CD1-CE 3.81Å; I830-M852 HydrophobicContact CD1-SD 3.82Å; I830-L855 HydrophobicContact CB-CD1 4.2Å; I830-L855 HydrophobicContact CD1-CD1 3.64Å; I830-L855 HydrophobicContact CD1-CD2 3.97Å; I830-L855 HydrophobicContact CD1-CG 4.47Å; I830-L855 HydrophobicContact CG1-CD1 3.64Å; I830-Q857 PolarHBondContact N-O 3.06Å; I830-L858 HydrophobicContact CB-CD1 3.91Å; I830-L858 HydrophobicContact CG2-CD1 3.62Å; I830-L858 WeakPolarHBondContact O-CA 3.42Å; I830-L859 PolarHBondContact O-N 3.35Å
831D69.2Low54.7Low71 Ų7174.3 Ų74.338%0.3843%0.425SS..EExtended strand (participates in β ladder)trans-119.9122.2172.1-161.4-17.4000109.3S833 L859D831-S833 VanDerWaalsContact OD1-CB 3.26Å; D831-S833 WeakPolarHBondContact OD1-CB 3.32Å; D831-S833 PolarHBondContact OD1-N 3.07Å; D831-S833 PolarHBondContact OD1-OG 2.94Å; D831-L859 HydrophobicContact CB-CB 4.35Å; D831-L859 HydrophobicContact CB-CD1 3.96Å; D831-L859 VanDerWaalsContact CG-CD1 3.46Å; D831-L859 WeakPolarHBondContact OD1-CB 3.48Å; D831-L859 VanDerWaalsContact OD2-CD1 3.23Å; D831-L859 WeakPolarHBondContact OD2-CD1 3.49Å
832L69.2Low56.7Low11 Ų1168.6 Ų68.66%0.05839%0.387CS..  trans-127.224.1177.6-65.8170.7000110.2L807 I830 V835 L845 L859 L860 C863L807-L832 HydrophobicContact CD2-CD2 4.22Å; I830-L832 HydrophobicContact CG2-CD1 3.98Å; I830-L832 HydrophobicContact CG2-CG 3.87Å; L832-V835 HydrophobicContact CB-CB 4.44Å; L832-V835 HydrophobicContact CB-CG2 4.28Å; L832-V835 HydrophobicContact CD2-CG2 4.41Å; L832-V835 VanDerWaalsContact O-CB 3.26Å; L832-V835 WeakPolarHBondContact O-CB 3.21Å; L832-V835 VanDerWaalsContact O-CG2 3.28Å; L832-V835 WeakPolarHBondContact O-CG2 3.4Å; L832-V835 PolarHBondContact O-N 2.9Å; L832-L845 HydrophobicContact CD1-CD1 3.92Å; L832-L845 HydrophobicContact CD1-CD2 3.69Å; L832-L845 HydrophobicContact CD1-CG 4.46Å; L832-L859 PolarHBondContact N-O 3.1Å; L832-L860 HydrophobicContact CB-CD2 4.07Å; L832-L860 HydrophobicContact CD1-CD2 4.12Å; L832-C863 PolarHBondContact O-SG 2.94Å
833S66.9Low58.4Low32 Ų3265.7 Ų65.722%0.22437%0.368CS..THydrogen-bonded Turntrans-58.5139.2178.5-54.40000111.5D831 V835 R861D831-S833 VanDerWaalsContact OD1-CB 3.26Å; D831-S833 WeakPolarHBondContact OD1-CB 3.32Å; D831-S833 PolarHBondContact OD1-N 3.07Å; D831-S833 PolarHBondContact OD1-OG 2.94Å; S833-V835 PolarHBondContact O-N 3.22Å; S833-R861 CarbonylContact C-O 3.57Å; S833-R861 VanDerWaalsContact CA-O 3.22Å; S833-R861 WeakPolarHBondContact CA-O 3.3Å
834D56.9Low59.7Low138 Ų13860.8 Ų60.874%0.73835%0.347SS*.THydrogen-bonded Turntrans58.418.3-175.7-49.5-47.3000115.1R861D834-R861 PolarHBondContact N-O 2.87Å
835V56.8Low61.3Low49 Ų4959.8 Ų59.830%0.29734%0.341SS..  trans-86.6126.6177.7-1800000111.4L832 S833 L837L832-V835 HydrophobicContact CB-CB 4.44Å; L832-V835 HydrophobicContact CB-CG2 4.28Å; L832-V835 HydrophobicContact CD2-CG2 4.41Å; L832-V835 VanDerWaalsContact O-CB 3.26Å; L832-V835 WeakPolarHBondContact O-CB 3.21Å; L832-V835 VanDerWaalsContact O-CG2 3.28Å; L832-V835 WeakPolarHBondContact O-CG2 3.4Å; L832-V835 PolarHBondContact O-N 2.9Å; S833-V835 PolarHBondContact O-N 3.22Å; V835-L837 VanDerWaalsContact C-N 3.34Å; V835-L837 HydrophobicContact CB-CD2 4.44Å; V835-L837 HydrophobicContact CB-CG 4.43Å; V835-L837 HydrophobicContact CG1-CD2 3.76Å; V835-L837 HydrophobicContact CG1-CG 4.11Å; V835-L837 PolarHBondContact O-N 3.08Å
836A54Low62.7Low102 Ų10256.6 Ų56.684%0.84333%0.327SS*.  trans-71.684.517100000111.3
837L61.6Low63.8Low25 Ų2549.1 Ų49.113%0.13130%0.296CS..  trans-78.2141.4179.9-64.1171.8000112.3V835 I842 L860 C863 H869V835-L837 VanDerWaalsContact C-N 3.34Å; V835-L837 HydrophobicContact CB-CD2 4.44Å; V835-L837 HydrophobicContact CB-CG 4.43Å; V835-L837 HydrophobicContact CG1-CD2 3.76Å; V835-L837 HydrophobicContact CG1-CG 4.11Å; V835-L837 PolarHBondContact O-N 3.08Å; L837-I842 HydrophobicContact CB-CD1 3.7Å; L837-I842 HydrophobicContact CB-CG1 3.85Å; L837-I842 HydrophobicContact CD1-CD1 4.04Å; L837-I842 HydrophobicContact CD1-CG1 4.04Å; L837-I842 HydrophobicContact CG-CD1 4.49Å; L837-I842 HydrophobicContact CG-CG1 4.41Å; L837-L860 HydrophobicContact CD1-CD2 3.77Å; L837-C863 HydrophobicContact CD1-CB 4.22Å; L837-H869 PolarHBondContact O-CE1 3.02Å
838T64.3Low64.6Low84 Ų8447.8 Ų47.852%0.51529%0.289SS..  trans-100.9156.6170.563.30000111.2N840 S841 I842T838-N840 VanDerWaalsContact C-N 3.29Å; T838-N840 PolarHBondContact O-N 2.99Å; T838-S841 PolarHBondContact N-OG 3.41Å; T838-S841 PolarHBondContact O-N 3.37Å; T838-S841 PolarHBondContact O-OG 3.37Å; T838-S841 WeakPolarHBondContact OG1-CB 3.33Å; T838-S841 PolarHBondContact OG1-N 3.21Å; T838-S841 PolarHBondContact OG1-OG 2.9Å; T838-I842 PolarHBondContact O-N 2.96Å; T838-I842 VanDerWaalsContact O-N 3.08Å
839V60.7Low65Low49 Ų4945.5 Ų45.530%0.29727%0.272SS..Hα-helixtrans-43-53.1172.3-178.40000112.5S841 I842 L843 H869 H872V839-S841 PolarHBondContact O-N 2.91Å; V839-I842 PolarHBondContact O-N 3.42Å; V839-I842 VanDerWaalsContact O-N 3.17Å; V839-L843 PolarHBondContact O-N 3.3Å; V839-L843 VanDerWaalsContact O-N 3.07Å; V839-H869 PolarHBondContact N-NE2 2.96Å; V839-H872 HydrophobicContact CG1-CB 4.17Å; V839-H872 WeakPolarHBondContact CG1-CD2 3.48Å
840N56.6Low65.2Low126 Ų12641 Ų4167%0.67425%0.249SC*.Hα-helixtrans-64.4-37-179.7-67.8-16.2000112.8T838 I842 A844T838-N840 VanDerWaalsContact C-N 3.29Å; T838-N840 PolarHBondContact O-N 2.99Å; N840-I842 VanDerWaalsContact C-N 3.27Å; N840-I842 PolarHBondContact O-N 3.03Å; N840-A844 WeakPolarHBondContact O-CB 3.34Å; N840-A844 PolarHBondContact O-N 3.1Å; N840-A844 VanDerWaalsContact O-N 3.08Å
841S60.5Low65Low42 Ų4245.1 Ų45.129%0.29426%0.264SS..Hα-helixtrans-66.9-29.5176.669.10000112.7T838 V839 L845T838-S841 PolarHBondContact N-OG 3.41Å; T838-S841 PolarHBondContact O-N 3.37Å; T838-S841 PolarHBondContact O-OG 3.37Å; T838-S841 WeakPolarHBondContact OG1-CB 3.33Å; T838-S841 PolarHBondContact OG1-N 3.21Å; T838-S841 PolarHBondContact OG1-OG 2.9Å; V839-S841 PolarHBondContact O-N 2.91Å; S841-L845 WeakPolarHBondContact O-CB 3.38Å; S841-L845 PolarHBondContact O-N 2.94Å
842I68.2Low64.9Low5 Ų542.3 Ų42.33%0.02625%0.249CC..Hα-helixtrans-82.5-34.8179.9-62.3174.6000111.7L837 T838 V839 N840 A844 L845 G846 L865 H869 F873L837-I842 HydrophobicContact CB-CD1 3.7Å; L837-I842 HydrophobicContact CB-CG1 3.85Å; L837-I842 HydrophobicContact CD1-CD1 4.04Å; L837-I842 HydrophobicContact CD1-CG1 4.04Å; L837-I842 HydrophobicContact CG-CD1 4.49Å; L837-I842 HydrophobicContact CG-CG1 4.41Å; T838-I842 PolarHBondContact O-N 2.96Å; T838-I842 VanDerWaalsContact O-N 3.08Å; V839-I842 PolarHBondContact O-N 3.42Å; V839-I842 VanDerWaalsContact O-N 3.17Å; N840-I842 VanDerWaalsContact C-N 3.27Å; N840-I842 PolarHBondContact O-N 3.03Å; I842-A844 VanDerWaalsContact C-N 3.29Å; I842-A844 PolarHBondContact O-N 2.94Å; I842-L845 PolarHBondContact O-N 3.39Å; I842-G846 PolarHBondContact O-N 2.71Å; I842-L865 HydrophobicContact CD1-CD2 3.72Å; I842-H869 HydrophobicContact CD1-CB 3.53Å; I842-H869 WeakPolarHBondContact CG2-O 3.44Å; I842-F873 HydrophobicContact CG2-CB 3.53Å; I842-F873 HydrophobicContact CG2-CD2 3.87Å; I842-F873 HydrophobicContact CG2-CG 4.1Å
843L67.1Low64.7Low44 Ų4444 Ų4423%0.2326%0.258CS..Hα-helixtrans-56.1-46.3165.6-178.162.8000111.3V839 G846 T847 H872 E875V839-L843 PolarHBondContact O-N 3.3Å; V839-L843 VanDerWaalsContact O-N 3.07Å; L843-G846 PolarHBondContact O-N 3.16Å; L843-T847 WeakPolarHBondContact O-CB 3.18Å; L843-T847 PolarHBondContact O-N 3.36Å; L843-T847 PolarHBondContact O-OG1 2.75Å; L843-H872 WeakPolarHBondContact CA-O 3.47Å; L843-H872 HydrophobicContact CB-CB 4.19Å; L843-H872 WeakPolarHBondContact CD1-O 3.28Å; L843-E875 HydrophobicContact CD1-CB 3.71Å
844A63.2Low64.5Low12 Ų1243.7 Ų43.710%0.09926%0.256CS..Hα-helixtrans-65.9-39.5176.800000112.3L803 N840 I842 T847 A848L803-A844 HydrophobicContact CD1-CB 3.7Å; N840-A844 WeakPolarHBondContact O-CB 3.34Å; N840-A844 PolarHBondContact O-N 3.1Å; N840-A844 VanDerWaalsContact O-N 3.08Å; I842-A844 VanDerWaalsContact C-N 3.29Å; I842-A844 PolarHBondContact O-N 2.94Å; A844-T847 PolarHBondContact O-N 3.32Å; A844-A848 WeakPolarHBondContact O-CB 3.5Å; A844-A848 PolarHBondContact O-N 3.25Å
845L74.5Confident64.9Low18 Ų1837.4 Ų37.49%0.09422%0.222CC..Hα-helixtrans-61.5-47.9174.1-17766.3000112L832 S841 I842 T847 A848 V849 L860 F873L832-L845 HydrophobicContact CD1-CD1 3.92Å; L832-L845 HydrophobicContact CD1-CD2 3.69Å; L832-L845 HydrophobicContact CD1-CG 4.46Å; S841-L845 WeakPolarHBondContact O-CB 3.38Å; S841-L845 PolarHBondContact O-N 2.94Å; I842-L845 PolarHBondContact O-N 3.39Å; L845-T847 VanDerWaalsContact C-N 3.29Å; L845-T847 PolarHBondContact O-N 3.28Å; L845-A848 WeakPolarHBondContact O-CB 3.26Å; L845-A848 PolarHBondContact O-N 2.91Å; L845-A848 VanDerWaalsContact O-N 3.1Å; L845-V849 HydrophobicContact CD1-CG2 4.37Å; L845-V849 HydrophobicContact CG-CG2 4.4Å; L845-V849 VanDerWaalsContact O-CG2 3.32Å; L845-V849 WeakPolarHBondContact O-CG2 3.24Å; L845-V849 PolarHBondContact O-N 3.32Å; L845-L860 HydrophobicContact CD2-CD2 4.38Å; L845-F873 HydrophobicContact CD2-CD2 4.5Å; L845-F873 HydrophobicContact CD2-CE2 4.12Å; L845-F873 HydrophobicContact CG-CE2 4.05Å
846G72.2Confident65.5Low0 Ų041.1 Ų41.10%023%0.234CC..Hα-helixtrans-59.9-40.617600000111.9I842 L843 A848 V849 S850 G876I842-G846 PolarHBondContact O-N 2.71Å; L843-G846 PolarHBondContact O-N 3.16Å; G846-A848 VanDerWaalsContact C-N 3.29Å; G846-A848 PolarHBondContact O-N 3.43Å; G846-V849 PolarHBondContact O-N 3.16Å; G846-S850 WeakPolarHBondContact O-CB 3.42Å; G846-S850 PolarHBondContact O-N 2.7Å; G846-S850 PolarHBondContact O-OG 3.38Å; G846-G876 CarbonylContact C-O 3.58Å; G846-G876 CarbonylContact O-C 3.33Å
847T68.9Low66.3Low22 Ų2238.5 Ų38.514%0.13521%0.205CC..Hα-helixtrans-66.5-28.5176-52.50000112.8L843 A844 L845 S850 R851 G876 S879L843-T847 WeakPolarHBondContact O-CB 3.18Å; L843-T847 PolarHBondContact O-N 3.36Å; L843-T847 PolarHBondContact O-OG1 2.75Å; A844-T847 PolarHBondContact O-N 3.32Å; L845-T847 VanDerWaalsContact C-N 3.29Å; L845-T847 PolarHBondContact O-N 3.28Å; T847-S850 PolarHBondContact O-OG 3.48Å; T847-R851 WeakPolarHBondContact O-CD 3.43Å; T847-R851 WeakPolarHBondContact O-CG 3.33Å; T847-G876 VanDerWaalsContact CA-O 3.3Å; T847-G876 WeakPolarHBondContact CA-O 3.28Å; T847-G876 PolarHBondContact N-O 2.86Å; T847-G876 WeakPolarHBondContact OG1-CA 3.44Å; T847-S879 PolarHBondContact OG1-OG 3.01Å
848A69.1Low67Low10 Ų1037.3 Ų37.38%0.08320%0.198CC..Hα-helixtrans-78.4-49174.300000111.7L803 A844 L845 G846 S850 R851 M852L803-A848 HydrophobicContact CD1-CB 4.38Å; L803-A848 HydrophobicContact CD2-CB 3.92Å; A844-A848 WeakPolarHBondContact O-CB 3.5Å; A844-A848 PolarHBondContact O-N 3.25Å; L845-A848 WeakPolarHBondContact O-CB 3.26Å; L845-A848 PolarHBondContact O-N 2.91Å; L845-A848 VanDerWaalsContact O-N 3.1Å; G846-A848 VanDerWaalsContact C-N 3.29Å; G846-A848 PolarHBondContact O-N 3.43Å; A848-S850 VanDerWaalsContact C-N 3.31Å; A848-S850 PolarHBondContact O-N 2.65Å; A848-R851 PolarHBondContact O-N 3.42Å; A848-M852 HydrophobicContact CB-CE 4.16Å; A848-M852 WeakPolarHBondContact O-CG 3.32Å; A848-M852 PolarHBondContact O-N 3.26Å
849V71.7Confident67.3Low9 Ų933.9 Ų33.96%0.05518%0.177CC..Hα-helixtrans-56.2-44.3178.5168.80000111.1L845 G846 R851 M852 L855 F873 L877L845-V849 HydrophobicContact CD1-CG2 4.37Å; L845-V849 HydrophobicContact CG-CG2 4.4Å; L845-V849 VanDerWaalsContact O-CG2 3.32Å; L845-V849 WeakPolarHBondContact O-CG2 3.24Å; L845-V849 PolarHBondContact O-N 3.32Å; G846-V849 PolarHBondContact O-N 3.16Å; V849-R851 PolarHBondContact O-N 3.13Å; V849-M852 PolarHBondContact O-N 3.36Å; V849-M852 VanDerWaalsContact O-N 3.17Å; V849-L855 HydrophobicContact CB-CD2 4.39Å; V849-L855 HydrophobicContact CG1-CD2 4.01Å; V849-L855 HydrophobicContact CG2-CD2 3.85Å; V849-F873 HydrophobicContact CG2-CE2 4.41Å; V849-L877 HydrophobicContact CB-CD2 4.03Å; V849-L877 HydrophobicContact CG1-CD2 3.68Å
850S68.8Low67.9Low1 Ų132.1 Ų32.11%0.00717%0.166CC..THydrogen-bonded Turntrans-69-0.5178.560.60000115.2G846 T847 A848 G876 L877 G880 S885G846-S850 WeakPolarHBondContact O-CB 3.42Å; G846-S850 PolarHBondContact O-N 2.7Å; G846-S850 PolarHBondContact O-OG 3.38Å; T847-S850 PolarHBondContact O-OG 3.48Å; A848-S850 VanDerWaalsContact C-N 3.31Å; A848-S850 PolarHBondContact O-N 2.65Å; S850-G876 PolarHBondContact OG-O 3.27Å; S850-L877 VanDerWaalsContact CB-O 3.32Å; S850-L877 WeakPolarHBondContact CB-O 3.41Å; S850-G880 WeakPolarHBondContact OG-CA 3.41Å; S850-S885 WeakPolarHBondContact O-CB 3.42Å; S850-S885 PolarHBondContact O-OG 3.27Å
851R65.7Low68.5Low98 Ų9831.6 Ų31.637%0.3715%0.154SC..THydrogen-bonded Turntrans-115.6-5.9175.1-63.7178.1-175.1-178.77.5113.7Y800 T847 A848 V849Y800-R851 PolarHBondContact OH-NH1 2.99Å; Y800-R851 VanDerWaalsContact OH-NH1 3.12Å; Y800-R851 PolarHBondContact OH-NH2 3.3Å; T847-R851 WeakPolarHBondContact O-CD 3.43Å; T847-R851 WeakPolarHBondContact O-CG 3.33Å; A848-R851 PolarHBondContact O-N 3.42Å; V849-R851 PolarHBondContact O-N 3.13Å
852M67.1Low68.6Low11 Ų1131 Ų315%0.05416%0.155CC..  trans-79.2142.4177.8-69.3173.7-173.900111.1L824 I830 A848 V849 L855 S885L824-M852 HydrophobicContact CB-CG 3.9Å; L824-M852 HydrophobicContact CD1-CE 3.95Å; L824-M852 HydrophobicContact CD2-CE 4.4Å; I830-M852 HydrophobicContact CD1-CE 3.81Å; I830-M852 HydrophobicContact CD1-SD 3.82Å; A848-M852 HydrophobicContact CB-CE 4.16Å; A848-M852 WeakPolarHBondContact O-CG 3.32Å; A848-M852 PolarHBondContact O-N 3.26Å; V849-M852 PolarHBondContact O-N 3.36Å; V849-M852 VanDerWaalsContact O-N 3.17Å; M852-L855 HydrophobicContact CB-CB 4.04Å; M852-L855 HydrophobicContact SD-CB 4Å; M852-L855 HydrophobicContact SD-CD1 4.28Å; M852-L855 HydrophobicContact SD-CD2 3.91Å; M852-L855 HydrophobicContact SD-CG 4.29Å; M852-S885 WeakPolarHBondContact O-CB 3.46Å; M852-S885 PolarHBondContact O-OG 3.27Å
853N63.8Low68.3Low47 Ų4730.8 Ų30.825%0.25115%0.154SC..SBendtrans-110.613179.8-58.7-12.7000112.8L824 Q825 K882 M888L824-N853 PolarHBondContact O-N 3.34Å; Q825-N853 HydrophobicContact CG-CB 4.07Å; Q825-N853 WeakPolarHBondContact CG-ND2 3.47Å; N853-K882 PolarHBondContact OD1-NZ 3.3Å; N853-M888 WeakPolarHBondContact O-CE 3.49Å
854S63.2Low68.2Low26 Ų2634.2 Ų34.218%0.18218%0.18CC..SBendtrans-157.87.6-176.555.80000116.3Q825 F826 V827 K856Q825-S854 VanDerWaalsContact O-CB 3.26Å; Q825-S854 WeakPolarHBondContact O-CB 3.26Å; Q825-S854 PolarHBondContact O-OG 3Å; F826-S854 WeakPolarHBondContact CA-OG 3.39Å; F826-S854 PolarHBondContact N-OG 3.3Å; V827-S854 PolarHBondContact N-OG 3.49Å; V827-S854 CarbonylContact O-C 3.45Å; V827-S854 PolarHBondContact O-OG 2.94Å; S854-K856 PolarHBondContact O-N 3.07Å
855L65.7Low68.5Low6 Ų634.1 Ų34.13%0.03118%0.178CC..  trans-65.9105-179.9-178.869000110.6V827 I830 V849 M852 Q857 M888 L889V827-L855 HydrophobicContact CG1-CD1 4.28Å; V827-L855 WeakPolarHBondContact O-CA 3.42Å; V827-L855 PolarHBondContact O-N 2.86Å; V827-L855 VanDerWaalsContact O-N 3.15Å; I830-L855 HydrophobicContact CB-CD1 4.2Å; I830-L855 HydrophobicContact CD1-CD1 3.64Å; I830-L855 HydrophobicContact CD1-CD2 3.97Å; I830-L855 HydrophobicContact CD1-CG 4.47Å; I830-L855 HydrophobicContact CG1-CD1 3.64Å; V849-L855 HydrophobicContact CB-CD2 4.39Å; V849-L855 HydrophobicContact CG1-CD2 4.01Å; V849-L855 HydrophobicContact CG2-CD2 3.85Å; M852-L855 HydrophobicContact CB-CB 4.04Å; M852-L855 HydrophobicContact SD-CB 4Å; M852-L855 HydrophobicContact SD-CD1 4.28Å; M852-L855 HydrophobicContact SD-CD2 3.91Å; M852-L855 HydrophobicContact SD-CG 4.29Å; L855-Q857 WeakPolarHBondContact CD1-O 3.26Å; L855-M888 CarbonylContact O-C 3.21Å; L855-L889 HydrophobicContact CD2-CD1 3.91Å; L855-L889 HydrophobicContact CG-CD1 4.04Å; L855-L889 WeakPolarHBondContact O-CA 3.42Å
856K69.3Low68.3Low126 Ų12635.6 Ų35.655%0.54819%0.19SC..  trans-86-27.2178.8-58.4-176.4-179.5179.60112.5S828 S854 N890 N891S828-K856 WeakPolarHBondContact O-CA 3.42Å; S828-K856 WeakPolarHBondContact O-CB 3.23Å; S828-K856 PolarHBondContact O-N 2.86Å; S854-K856 PolarHBondContact O-N 3.07Å; K856-N890 CarbonylContact O-C 3.44Å; K856-N890 WeakPolarHBondContact O-CA 3.34Å; K856-N890 WeakPolarHBondContact O-CB 3.47Å; K856-N890 PolarHBondContact O-N 3.4Å; K856-N891 PolarHBondContact O-N 3.45Å
857Q69.3Low68.2Low47 Ų4736.2 Ų36.222%0.2220%0.195CC..EExtended strand (participates in β ladder)trans-146.4135.7-169.2-177.4159.1-16.900113.3S828 I829 I830 L855 L859 N891S828-Q857 PolarHBondContact O-N 3.33Å; S828-Q857 VanDerWaalsContact O-N 3.1Å; I829-Q857 CarbonylContact C-O 3.34Å; I829-Q857 WeakPolarHBondContact CA-O 3.4Å; I829-Q857 HydrophobicContact CB-CB 4.43Å; I829-Q857 HydrophobicContact CG1-CB 4.17Å; I829-Q857 HydrophobicContact CG2-CB 4.17Å; I829-Q857 HydrophobicContact CG2-CG 4.2Å; I830-Q857 PolarHBondContact N-O 3.06Å; L855-Q857 WeakPolarHBondContact CD1-O 3.26Å; Q857-L859 HydrophobicContact CG-CD2 4.25Å; Q857-L859 HydrophobicContact CG-CG 4.16Å; Q857-N891 WeakPolarHBondContact CA-O 3.09Å; Q857-N891 HydrophobicContact CB-CB 3.82Å; Q857-N891 HydrophobicContact CG-CB 3.67Å; Q857-N891 PolarHBondContact OE1-ND2 3.27Å
858L76.2Confident68.3Low0 Ų037.3 Ų37.30%021%0.206CC..EExtended strand (participates in β ladder)trans-126.9122.5171177.558.5000109.2I830 L860 F873 L889 N891 L892 D893I830-L858 HydrophobicContact CB-CD1 3.91Å; I830-L858 HydrophobicContact CG2-CD1 3.62Å; I830-L858 WeakPolarHBondContact O-CA 3.42Å; L858-L860 HydrophobicContact CD1-CD2 4.48Å; L858-L860 HydrophobicContact CD1-CG 4.29Å; L858-L860 HydrophobicContact CD2-CD1 4.06Å; L858-L860 HydrophobicContact CG-CD1 4.12Å; L858-L860 HydrophobicContact CG-CG 4.13Å; L858-F873 HydrophobicContact CD2-CE2 4.35Å; L858-F873 HydrophobicContact CD2-CZ 3.79Å; L858-L889 HydrophobicContact CB-CD1 3.96Å; L858-N891 PolarHBondContact N-O 2.8Å; L858-L892 HydrophobicContact CB-CD1 4.14Å; L858-L892 HydrophobicContact CD2-CD1 4.05Å; L858-L892 HydrophobicContact CG-CD1 4.09Å; L858-D893 PolarHBondContact O-N 2.7Å; L858-D893 VanDerWaalsContact O-N 3.07Å
859L72.4Confident68.7Low13 Ų1337.9 Ų37.97%0.06821%0.207CC..EExtended strand (participates in β ladder)trans-111.1128.7176.6-56.7164.8000109.4I830 D831 L832 Q857 D893I830-L859 PolarHBondContact O-N 3.35Å; D831-L859 HydrophobicContact CB-CB 4.35Å; D831-L859 HydrophobicContact CB-CD1 3.96Å; D831-L859 VanDerWaalsContact CG-CD1 3.46Å; D831-L859 WeakPolarHBondContact OD1-CB 3.48Å; D831-L859 VanDerWaalsContact OD2-CD1 3.23Å; D831-L859 WeakPolarHBondContact OD2-CD1 3.49Å; L832-L859 PolarHBondContact N-O 3.1Å; Q857-L859 HydrophobicContact CG-CD2 4.25Å; Q857-L859 HydrophobicContact CG-CG 4.16Å; L859-D893 HydrophobicContact CD2-CB 3.35Å
860L71.8Confident69Low11 Ų1137.9 Ų37.96%0.05821%0.206CC..  trans-13533.7-175.6-70.3166.8000111.4L832 L837 L845 L858 C863 L865 L892 D893 L894 N897L832-L860 HydrophobicContact CB-CD2 4.07Å; L832-L860 HydrophobicContact CD1-CD2 4.12Å; L837-L860 HydrophobicContact CD1-CD2 3.77Å; L845-L860 HydrophobicContact CD2-CD2 4.38Å; L858-L860 HydrophobicContact CD1-CD2 4.48Å; L858-L860 HydrophobicContact CD1-CG 4.29Å; L858-L860 HydrophobicContact CD2-CD1 4.06Å; L858-L860 HydrophobicContact CG-CD1 4.12Å; L858-L860 HydrophobicContact CG-CG 4.13Å; L860-C863 HydrophobicContact CB-CB 4.47Å; L860-C863 WeakPolarHBondContact O-CB 3.36Å; L860-C863 PolarHBondContact O-N 3.16Å; L860-C863 PolarHBondContact O-SG 3.08Å; L860-L865 HydrophobicContact CD1-CD1 4.46Å; L860-L892 HydrophobicContact CD1-CD1 4.31Å; L860-D893 PolarHBondContact N-O 3.19Å; L860-L894 HydrophobicContact CB-CD2 4.12Å; L860-L894 HydrophobicContact CD1-CD2 4.05Å; L860-N897 PolarHBondContact O-ND2 3.2Å; L860-N897 PolarHBondContact O-OD1 3.5Å
861R69.2Low69.3Low116 Ų11640.3 Ų40.344%0.43822%0.218SC..THydrogen-bonded Turntrans-70129.7-172.5-54.9177.3167.8174.9-3.7110.9S833 D834 C863 D893 L894S833-R861 CarbonylContact C-O 3.57Å; S833-R861 VanDerWaalsContact CA-O 3.22Å; S833-R861 WeakPolarHBondContact CA-O 3.3Å; D834-R861 PolarHBondContact N-O 2.87Å; R861-C863 PolarHBondContact O-N 3.43Å; R861-D893 VanDerWaalsContact CG-OD1 3.26Å; R861-D893 WeakPolarHBondContact CG-OD1 3.34Å; R861-D893 IonicContact CZ-OD1 3.54Å; R861-D893 IonicContact CZ-OD2 3.87Å; R861-D893 VanDerWaalsContact NE-CG 3.27Å; R861-D893 IonicContact NE-OD1 3.82Å; R861-D893 PolarHBondContact NE-OD1 3.03Å; R861-D893 IonicContact NE-OD2 3.09Å; R861-D893 PolarHBondContact NE-OD2 3.04Å; R861-D893 IonicContact NH2-OD1 2.9Å; R861-D893 IonicContact NH2-OD2 3.27Å; R861-D893 PolarHBondContact NH2-OD2 3.5Å; R861-L894 WeakPolarHBondContact CA-O 3.19Å
862G62.8Low69.8Low29 Ų2938.2 Ų38.230%0.29921%0.212SC..THydrogen-bonded Turntrans754.2-179.800000114C864 N897G862-C864 PolarHBondContact O-N 3.29Å; G862-N897 WeakPolarHBondContact CA-OD1 3.38Å; G862-N897 PolarHBondContact N-OD1 3.45Å
863C62.7Low70.4Confident1 Ų138.2 Ų38.21%0.00721%0.212CC..  trans-72123.5171.4-66.60000109.8L832 L837 L860 R861 L865 N897L832-C863 PolarHBondContact O-SG 2.94Å; L837-C863 HydrophobicContact CD1-CB 4.22Å; L860-C863 HydrophobicContact CB-CB 4.47Å; L860-C863 WeakPolarHBondContact O-CB 3.36Å; L860-C863 PolarHBondContact O-N 3.16Å; L860-C863 PolarHBondContact O-SG 3.08Å; R861-C863 PolarHBondContact O-N 3.43Å; C863-L865 VanDerWaalsContact C-N 3.3Å; C863-L865 HydrophobicContact CB-CD2 4.04Å; C863-L865 HydrophobicContact CB-CG 4.03Å; C863-L865 PolarHBondContact O-N 2.93Å; C863-N897 PolarHBondContact N-OD1 3.3Å; C863-N897 PolarHBondContact O-ND2 3.2Å; C863-N897 PolarHBondContact O-OD1 2.94Å; C863-N897 VanDerWaalsContact O-OD1 3.06Å
864C65.1Low70.9Confident115 Ų11538.8 Ų38.878%0.77721%0.211SC*.  trans-70.382174.7-69.40000111.4G862 H869G862-C864 PolarHBondContact O-N 3.29Å; C864-H869 PolarHBondContact O-CE1 3.01Å; C864-H869 VanDerWaalsContact O-CE1 3.3Å; C864-H869 PolarHBondContact O-ND1 3.17Å
865L69.3Low71.6Confident11 Ų1142.1 Ų42.16%0.05822%0.223CC..  trans-87.4112.3-177.7-61.8-177000111.9I842 L860 C863 H869 L870 L894 N897 L898I842-L865 HydrophobicContact CD1-CD2 3.72Å; L860-L865 HydrophobicContact CD1-CD1 4.46Å; C863-L865 VanDerWaalsContact C-N 3.3Å; C863-L865 HydrophobicContact CB-CD2 4.04Å; C863-L865 HydrophobicContact CB-CG 4.03Å; C863-L865 PolarHBondContact O-N 2.93Å; L865-H869 HydrophobicContact CB-CB 4.47Å; L865-H869 HydrophobicContact CD2-CB 4.11Å; L865-L870 HydrophobicContact CD1-CD2 4.37Å; L865-L894 HydrophobicContact CD1-CD2 3.92Å; L865-N897 WeakPolarHBondContact CD1-ND2 3.37Å; L865-L898 VanDerWaalsContact O-O 3.13Å
866S71Confident71.8Confident49 Ų4941.8 Ų41.834%0.34322%0.222SC..  trans-85.8172.8169.564.30000112A868 H869 L870S866-A868 VanDerWaalsContact C-N 3.29Å; S866-A868 PolarHBondContact O-N 3.23Å; S866-H869 PolarHBondContact N-ND1 3.43Å; S866-H869 WeakPolarHBondContact O-CB 3.48Å; S866-H869 PolarHBondContact O-N 2.97Å; S866-H869 VanDerWaalsContact O-N 3.08Å; S866-H869 VanDerWaalsContact OG-CG 3.27Å; S866-H869 PolarHBondContact OG-N 2.66Å; S866-H869 VanDerWaalsContact OG-N 3.1Å; S866-L870 PolarHBondContact O-N 3.1Å; S866-L870 VanDerWaalsContact O-N 3.16Å
867A68.6Low71.9Confident13 Ų1336 Ų3611%0.10720%0.197CC..Hα-helixtrans-58.6-42.1170.300000111.8H869 L870 E871 E902 S903A867-H869 VanDerWaalsContact C-N 3.29Å; A867-H869 PolarHBondContact O-N 3.08Å; A867-L870 PolarHBondContact O-N 3.28Å; A867-E871 PolarHBondContact O-N 3.26Å; A867-E902 HydrophobicContact CB-CB 3.41Å; A867-E902 VanDerWaalsContact CB-CB 3.41Å; A867-S903 WeakPolarHBondContact CA-OG 3.42Å; A867-S903 PolarHBondContact N-OG 3.25Å; A867-S903 VanDerWaalsContact N-OG 3.13Å
868A72.4Confident71.8Confident45 Ų4536.8 Ų36.837%0.37221%0.207SC..Hα-helixtrans-59.6-37.4172.900000112.4S866 L870 H872S866-A868 VanDerWaalsContact C-N 3.29Å; S866-A868 PolarHBondContact O-N 3.23Å; A868-L870 VanDerWaalsContact C-N 3.3Å; A868-L870 PolarHBondContact O-N 2.71Å; A868-H872 WeakPolarHBondContact O-CB 3.41Å; A868-H872 PolarHBondContact O-CD2 2.88Å; A868-H872 PolarHBondContact O-N 3.28Å
869H76.8Confident71.3Confident22 Ų2239.8 Ų39.810%0.10223%0.229CC..Hα-helixtrans-61.4-38.4173.5-69.9171.7000111.9L837 V839 I842 C864 L865 S866 A867 F873L837-H869 PolarHBondContact O-CE1 3.02Å; V839-H869 PolarHBondContact N-NE2 2.96Å; I842-H869 HydrophobicContact CD1-CB 3.53Å; I842-H869 WeakPolarHBondContact CG2-O 3.44Å; C864-H869 PolarHBondContact O-CE1 3.01Å; C864-H869 VanDerWaalsContact O-CE1 3.3Å; C864-H869 PolarHBondContact O-ND1 3.17Å; L865-H869 HydrophobicContact CB-CB 4.47Å; L865-H869 HydrophobicContact CD2-CB 4.11Å; S866-H869 PolarHBondContact N-ND1 3.43Å; S866-H869 WeakPolarHBondContact O-CB 3.48Å; S866-H869 PolarHBondContact O-N 2.97Å; S866-H869 VanDerWaalsContact O-N 3.08Å; S866-H869 VanDerWaalsContact OG-CG 3.27Å; S866-H869 PolarHBondContact OG-N 2.66Å; S866-H869 VanDerWaalsContact OG-N 3.1Å; A867-H869 VanDerWaalsContact C-N 3.29Å; A867-H869 PolarHBondContact O-N 3.08Å; H869-F873 PolarHBondContact O-N 2.9Å
870L77.4Confident70.6Confident8 Ų839.8 Ų39.84%0.04223%0.232CC..Hα-helixtrans-80.6-39.1180-67168.9000113.7L865 S866 A867 A868 H872 F873 Y874 L899 S903 S906 F907 I910L865-L870 HydrophobicContact CD1-CD2 4.37Å; S866-L870 PolarHBondContact O-N 3.1Å; S866-L870 VanDerWaalsContact O-N 3.16Å; A867-L870 PolarHBondContact O-N 3.28Å; A868-L870 VanDerWaalsContact C-N 3.3Å; A868-L870 PolarHBondContact O-N 2.71Å; L870-H872 PolarHBondContact O-N 3.26Å; L870-F873 WeakPolarHBondContact O-CB 3.33Å; L870-F873 PolarHBondContact O-N 2.99Å; L870-Y874 WeakPolarHBondContact O-CB 3.34Å; L870-Y874 PolarHBondContact O-N 2.86Å; L870-L899 HydrophobicContact CD1-CD2 3.81Å; L870-S903 WeakPolarHBondContact CD1-O 3.48Å; L870-S906 VanDerWaalsContact CB-CB 3.43Å; L870-F907 HydrophobicContact CD1-CB 4.31Å; L870-I910 HydrophobicContact CB-CD1 4.09Å; L870-I910 HydrophobicContact CD2-CD1 3.79Å
871E76.6Confident69.7Low52 Ų5243 Ų4324%0.24327%0.268CS..Hα-helixtrans-60.2-44.7171.2-75.1-57.4134.900111.1A867 F873 Y874 E875 S906 R909A867-E871 PolarHBondContact O-N 3.26Å; E871-F873 VanDerWaalsContact C-N 3.34Å; E871-F873 PolarHBondContact O-N 2.75Å; E871-Y874 CarbonylContact O-C 3.52Å; E871-Y874 WeakPolarHBondContact O-CA 3.3Å; E871-Y874 WeakPolarHBondContact O-CB 3.16Å; E871-Y874 PolarHBondContact O-N 3.1Å; E871-Y874 VanDerWaalsContact O-N 3.13Å; E871-E875 PolarHBondContact O-N 3.03Å; E871-S906 WeakPolarHBondContact CG-OG 3.45Å; E871-S906 WeakPolarHBondContact OE1-CA 3.35Å; E871-S906 WeakPolarHBondContact OE1-CB 3.47Å; E871-S906 PolarHBondContact OE1-OG 2.78Å; E871-R909 IonicContact OE1-CZ 2.71Å; E871-R909 IonicContact OE1-NH1 3.45Å; E871-R909 PolarHBondContact OE1-NH1 2.75Å; E871-R909 IonicContact OE2-NH1 2.76Å; E871-R909 PolarHBondContact OE2-NH1 3.08Å
872H75.6Confident68.9Low55 Ų5541.6 Ų41.626%0.25526%0.264SS..Hα-helixtrans-69.8-28.8177.1-77.5-67.9000113V839 L843 A868 L870 E875 G876V839-H872 HydrophobicContact CG1-CB 4.17Å; V839-H872 WeakPolarHBondContact CG1-CD2 3.48Å; L843-H872 WeakPolarHBondContact CA-O 3.47Å; L843-H872 HydrophobicContact CB-CB 4.19Å; L843-H872 WeakPolarHBondContact CD1-O 3.28Å; A868-H872 WeakPolarHBondContact O-CB 3.41Å; A868-H872 PolarHBondContact O-CD2 2.88Å; A868-H872 PolarHBondContact O-N 3.28Å; L870-H872 PolarHBondContact O-N 3.26Å; H872-E875 IonicContact CE1-OE2 3.78Å; H872-E875 PolarHBondContact CE1-OE2 3.46Å; H872-E875 VanDerWaalsContact CE1-OE2 3.27Å; H872-E875 IonicContact CG-OE2 2.92Å; H872-E875 IonicContact ND1-OE2 3.8Å; H872-E875 PolarHBondContact ND1-OE2 2.89Å; H872-G876 PolarHBondContact O-N 3.47Å
873F78.5Confident68.2Low11 Ų1144.2 Ų44.25%0.04828%0.279CS..Hα-helixtrans-62.4-45.2167.7-168.9-122000110.9I842 L845 V849 L858 H869 L870 E871 G876 L877 I910I842-F873 HydrophobicContact CG2-CB 3.53Å; I842-F873 HydrophobicContact CG2-CD2 3.87Å; I842-F873 HydrophobicContact CG2-CG 4.1Å; L845-F873 HydrophobicContact CD2-CD2 4.5Å; L845-F873 HydrophobicContact CD2-CE2 4.12Å; L845-F873 HydrophobicContact CG-CE2 4.05Å; V849-F873 HydrophobicContact CG2-CE2 4.41Å; L858-F873 HydrophobicContact CD2-CE2 4.35Å; L858-F873 HydrophobicContact CD2-CZ 3.79Å; H869-F873 PolarHBondContact O-N 2.9Å; L870-F873 WeakPolarHBondContact O-CB 3.33Å; L870-F873 PolarHBondContact O-N 2.99Å; E871-F873 VanDerWaalsContact C-N 3.34Å; E871-F873 PolarHBondContact O-N 2.75Å; F873-G876 PolarHBondContact O-N 2.86Å; F873-L877 HydrophobicContact CD1-CD1 3.8Å; F873-L877 HydrophobicContact CD1-CG 4.45Å; F873-L877 HydrophobicContact CE1-CD1 3.63Å; F873-L877 HydrophobicContact CE1-CG 4.3Å; F873-L877 HydrophobicContact CZ-CD1 4.18Å; F873-L877 HydrophobicContact CZ-CD2 4.36Å; F873-L877 HydrophobicContact CZ-CG 4.41Å; F873-L877 WeakPolarHBondContact O-CG 3.46Å; F873-L877 PolarHBondContact O-N 3.45Å; F873-I910 HydrophobicContact CB-CD1 4.4Å; F873-I910 HydrophobicContact CD1-CD1 3.76Å; F873-I910 HydrophobicContact CD1-CG1 4.07Å; F873-I910 HydrophobicContact CD1-CG2 4.12Å; F873-I910 HydrophobicContact CE1-CG2 4.01Å
874Y75.9Confident67.4Low58 Ų5847.1 Ų47.123%0.22730%0.302CS..Hα-helixtrans-61.9-48.4176.6174.8-105.7000112.2L870 E871 G876 L877 S878 R909 H913L870-Y874 WeakPolarHBondContact O-CB 3.34Å; L870-Y874 PolarHBondContact O-N 2.86Å; E871-Y874 CarbonylContact O-C 3.52Å; E871-Y874 WeakPolarHBondContact O-CA 3.3Å; E871-Y874 WeakPolarHBondContact O-CB 3.16Å; E871-Y874 PolarHBondContact O-N 3.1Å; E871-Y874 VanDerWaalsContact O-N 3.13Å; Y874-G876 VanDerWaalsContact C-N 3.28Å; Y874-G876 PolarHBondContact O-N 3.13Å; Y874-L877 WeakPolarHBondContact O-CB 3.37Å; Y874-L877 PolarHBondContact O-N 3.08Å; Y874-L877 VanDerWaalsContact O-N 3.08Å; Y874-S878 PolarHBondContact O-N 2.82Å; Y874-S878 PolarHBondContact O-OG 2.92Å; Y874-S878 VanDerWaalsContact O-OG 3.12Å; Y874-R909 HydrophobicContact CD2-CB 3.9Å; Y874-R909 HydrophobicContact CE2-CB 3.99Å; Y874-R909 HydrophobicContact CG-CB 4.27Å; Y874-H913 AromaticContact CE2-CE1 3.62Å; Y874-H913 AromaticContact CE2-ND1 3.9Å; Y874-H913 AromaticContact CE2-NE2 3.98Å
875E76.6Confident66.6Low96 Ų9641.9 Ų41.945%0.44927%0.267SS..Hα-helixtrans-53.3-45.9172.1-73.3-172.9156.500111.9L843 E871 H872 L877 S878 S879L843-E875 HydrophobicContact CD1-CB 3.71Å; E871-E875 PolarHBondContact O-N 3.03Å; H872-E875 IonicContact CE1-OE2 3.78Å; H872-E875 PolarHBondContact CE1-OE2 3.46Å; H872-E875 VanDerWaalsContact CE1-OE2 3.27Å; H872-E875 IonicContact CG-OE2 2.92Å; H872-E875 IonicContact ND1-OE2 3.8Å; H872-E875 PolarHBondContact ND1-OE2 2.89Å; E875-L877 VanDerWaalsContact C-N 3.34Å; E875-L877 PolarHBondContact O-N 3.28Å; E875-S878 PolarHBondContact O-N 3.49Å; E875-S879 WeakPolarHBondContact O-CB 3.34Å; E875-S879 PolarHBondContact O-N 2.91Å
876G70.3Confident65.6Low0 Ų042 Ų420%027%0.268CS..Hα-helixtrans-60.6-43.4177.300000111.9G846 T847 S850 H872 F873 Y874 S879G846-G876 CarbonylContact C-O 3.58Å; G846-G876 CarbonylContact O-C 3.33Å; T847-G876 VanDerWaalsContact CA-O 3.3Å; T847-G876 WeakPolarHBondContact CA-O 3.28Å; T847-G876 PolarHBondContact N-O 2.86Å; T847-G876 WeakPolarHBondContact OG1-CA 3.44Å; S850-G876 PolarHBondContact OG-O 3.27Å; H872-G876 PolarHBondContact O-N 3.47Å; F873-G876 PolarHBondContact O-N 2.86Å; Y874-G876 VanDerWaalsContact C-N 3.28Å; Y874-G876 PolarHBondContact O-N 3.13Å; G876-S879 PolarHBondContact O-N 3.15Å; G876-S879 PolarHBondContact O-OG 2.83Å
877L71.3Confident64.7Low5 Ų543.5 Ų43.53%0.02627%0.27CS..Hα-helixtrans-63.1-47.5175.6-70.6172.7000111.9V849 S850 F873 Y874 E875 S879 G880 L886 I910V849-L877 HydrophobicContact CB-CD2 4.03Å; V849-L877 HydrophobicContact CG1-CD2 3.68Å; S850-L877 VanDerWaalsContact CB-O 3.32Å; S850-L877 WeakPolarHBondContact CB-O 3.41Å; F873-L877 HydrophobicContact CD1-CD1 3.8Å; F873-L877 HydrophobicContact CD1-CG 4.45Å; F873-L877 HydrophobicContact CE1-CD1 3.63Å; F873-L877 HydrophobicContact CE1-CG 4.3Å; F873-L877 HydrophobicContact CZ-CD1 4.18Å; F873-L877 HydrophobicContact CZ-CD2 4.36Å; F873-L877 HydrophobicContact CZ-CG 4.41Å; F873-L877 WeakPolarHBondContact O-CG 3.46Å; F873-L877 PolarHBondContact O-N 3.45Å; Y874-L877 WeakPolarHBondContact O-CB 3.37Å; Y874-L877 PolarHBondContact O-N 3.08Å; Y874-L877 VanDerWaalsContact O-N 3.08Å; E875-L877 VanDerWaalsContact C-N 3.34Å; E875-L877 PolarHBondContact O-N 3.28Å; L877-S879 VanDerWaalsContact C-N 3.3Å; L877-S879 PolarHBondContact O-N 3.15Å; L877-G880 PolarHBondContact O-N 3.17Å; L877-L886 HydrophobicContact CB-CD2 4.21Å; L877-L886 HydrophobicContact CD1-CD2 4Å; L877-L886 HydrophobicContact CD2-CD2 3.83Å; L877-L886 HydrophobicContact CG-CD2 4.23Å; L877-I910 HydrophobicContact CD1-CG1 4.46Å; L877-I910 HydrophobicContact CD1-CG2 4.09Å
878S67.3Low63.9Low62 Ų6246.3 Ų46.343%0.43428%0.282SS..Hα-helixtrans-63.1-33.6177.9-57.60000112.8Y874 E875 G880Y874-S878 PolarHBondContact O-N 2.82Å; Y874-S878 PolarHBondContact O-OG 2.92Å; Y874-S878 VanDerWaalsContact O-OG 3.12Å; E875-S878 PolarHBondContact O-N 3.49Å; S878-G880 PolarHBondContact O-N 3.03Å
879S66.9Low63.4Low64 Ų6444.4 Ų44.445%0.44827%0.266SS..THydrogen-bonded Turntrans-67.9-13.7179.382.40000114.7T847 E875 G876 L877 G881T847-S879 PolarHBondContact OG1-OG 3.01Å; E875-S879 WeakPolarHBondContact O-CB 3.34Å; E875-S879 PolarHBondContact O-N 2.91Å; G876-S879 PolarHBondContact O-N 3.15Å; G876-S879 PolarHBondContact O-OG 2.83Å; L877-S879 VanDerWaalsContact C-N 3.3Å; L877-S879 PolarHBondContact O-N 3.15Å; S879-G881 PolarHBondContact O-N 2.78Å
880G56.8Low62.7Low13 Ų1345.1 Ų45.113%0.13427%0.27CS..THydrogen-bonded Turntrans-73.4-20.6-169.400000116.4S850 L877 S878 K882S850-G880 WeakPolarHBondContact OG-CA 3.41Å; L877-G880 PolarHBondContact O-N 3.17Å; S878-G880 PolarHBondContact O-N 3.03Å; G880-K882 PolarHBondContact O-N 3.31Å
881G53.6Low61.9Low79 Ų7946.3 Ų46.381%0.81428%0.277SS*.SBendtrans687.2179.500000116S879S879-G881 PolarHBondContact O-N 2.78Å
882K52.4Low61.6Low85 Ų8544.2 Ų44.237%0.3727%0.267SS..  trans-130.695.4177.3-69.6-176.3179.5178.50111.6N853 G880 A884 S885N853-K882 PolarHBondContact OD1-NZ 3.3Å; G880-K882 PolarHBondContact O-N 3.31Å; K882-A884 PolarHBondContact O-N 3.02Å; K882-S885 PolarHBondContact O-N 2.93Å; K882-S885 VanDerWaalsContact O-N 3.15Å
883S48.2Very low61.4Low85 Ų8542.2 Ų42.259%0.59426%0.258SS*.Hα-helixtrans-57.3-29.3168.3590000112.2S885 L886 M887S883-S885 VanDerWaalsContact C-N 3.27Å; S883-S885 PolarHBondContact O-N 3.43Å; S883-L886 WeakPolarHBondContact O-CB 3.46Å; S883-L886 PolarHBondContact O-N 3.08Å; S883-M887 WeakPolarHBondContact O-CG 3.34Å; S883-M887 PolarHBondContact O-N 2.79Å
884A45.2Very low60.8Low61 Ų6141.8 Ų41.850%0.50426%0.256SS..Hα-helixtrans-56.8-32.5176.100000114.6K882 M887 M888K882-A884 PolarHBondContact O-N 3.02Å; A884-M887 PolarHBondContact O-N 3.42Å; A884-M888 WeakPolarHBondContact O-CG 3.41Å
885S47.9Very low60.2Low6 Ų639.2 Ų39.24%0.04225%0.248CC..Hα-helixtrans-75.2-38.6-179.9-71.10000112.3S850 M852 K882 S883 M887 M888S850-S885 WeakPolarHBondContact O-CB 3.42Å; S850-S885 PolarHBondContact O-OG 3.27Å; M852-S885 WeakPolarHBondContact O-CB 3.46Å; M852-S885 PolarHBondContact O-OG 3.27Å; K882-S885 PolarHBondContact O-N 2.93Å; K882-S885 VanDerWaalsContact O-N 3.15Å; S883-S885 VanDerWaalsContact C-N 3.27Å; S883-S885 PolarHBondContact O-N 3.43Å; S885-M887 PolarHBondContact O-N 2.89Å; S885-M888 PolarHBondContact O-N 3.48Å
886L48.8Very low59.3Low14 Ų1441.3 Ų41.37%0.07325%0.253CS..Hα-helixtrans-57.6-31.2170.1-81.2157.2000112.4L877 S883 M888 H913L877-L886 HydrophobicContact CB-CD2 4.21Å; L877-L886 HydrophobicContact CD1-CD2 4Å; L877-L886 HydrophobicContact CD2-CD2 3.83Å; L877-L886 HydrophobicContact CG-CD2 4.23Å; S883-L886 WeakPolarHBondContact O-CB 3.46Å; S883-L886 PolarHBondContact O-N 3.08Å; L886-M888 PolarHBondContact O-N 3.46Å; L886-H913 HydrophobicContact CD1-CB 4.09Å; L886-H913 HydrophobicContact CD2-CB 3.9Å; L886-H913 HydrophobicContact CG-CB 4.48Å
887M51.2Low58.9Low79 Ų7941.4 Ų41.439%0.38925%0.253SS..THydrogen-bonded Turntrans-76.915.8174.3-52.5-167.3-176.900114.4S883 A884 S885 S915 K916S883-M887 WeakPolarHBondContact O-CG 3.34Å; S883-M887 PolarHBondContact O-N 2.79Å; A884-M887 PolarHBondContact O-N 3.42Å; S885-M887 PolarHBondContact O-N 2.89Å; M887-S915 WeakPolarHBondContact CG-OG 3.36Å; M887-K916 HydrophobicContact CB-CG 4.36Å; M887-K916 WeakPolarHBondContact O-CB 3.46Å; M887-K916 WeakPolarHBondContact O-CD 3.41Å; M887-K916 WeakPolarHBondContact O-CE 3.36Å; M887-K916 WeakPolarHBondContact O-CG 3.32Å; M887-K916 PolarHBondContact O-NZ 3.35Å
888M52.4Low58.1Low72 Ų7245.5 Ų45.536%0.35527%0.274SS..THydrogen-bonded Turntrans-123.6-10.6-178.6-58-16575.700115.3N853 L855 A884 S885 L886 N890N853-M888 WeakPolarHBondContact O-CE 3.49Å; L855-M888 CarbonylContact O-C 3.21Å; A884-M888 WeakPolarHBondContact O-CG 3.41Å; S885-M888 PolarHBondContact O-N 3.48Å; L886-M888 PolarHBondContact O-N 3.46Å; M888-N890 PolarHBondContact O-N 3.27Å; M888-N890 VanDerWaalsContact O-N 3.17Å; M888-N890 PolarHBondContact O-OD1 2.61Å
889L61.6Low57.7Low6 Ų642.6 Ų42.63%0.03125%0.254CS..  trans-70.1108172.3-167.372.1000109.8L855 L858 L892 K916 L917L855-L889 HydrophobicContact CD2-CD1 3.91Å; L855-L889 HydrophobicContact CG-CD1 4.04Å; L855-L889 WeakPolarHBondContact O-CA 3.42Å; L858-L889 HydrophobicContact CB-CD1 3.96Å; L889-L892 HydrophobicContact CD2-CB 4.29Å; L889-K916 CarbonylContact O-C 3.52Å; L889-L917 HydrophobicContact CB-CD1 4.4Å; L889-L917 HydrophobicContact CD2-CD1 3.92Å; L889-L917 HydrophobicContact CG-CD1 3.92Å; L889-L917 VanDerWaalsContact O-CA 3.26Å; L889-L917 WeakPolarHBondContact O-CA 3.3Å; L889-L917 WeakPolarHBondContact O-CD1 3.46Å; L889-L917 PolarHBondContact O-N 2.9Å; L889-L917 VanDerWaalsContact O-N 3.12Å
890N61.8Low57.3Low36 Ų3640.7 Ų40.719%0.19324%0.244CC..  trans-87.2-36.2177.1-7531000111.8K856 M888 L917 E918 R919K856-N890 CarbonylContact O-C 3.44Å; K856-N890 WeakPolarHBondContact O-CA 3.34Å; K856-N890 WeakPolarHBondContact O-CB 3.47Å; K856-N890 PolarHBondContact O-N 3.4Å; M888-N890 PolarHBondContact O-N 3.27Å; M888-N890 VanDerWaalsContact O-N 3.17Å; M888-N890 PolarHBondContact O-OD1 2.61Å; N890-L917 CarbonylContact O-C 3.59Å; N890-L917 WeakPolarHBondContact O-CA 3.29Å; N890-E918 HydrophobicContact CB-CB 4.48Å; N890-E918 HydrophobicContact CB-CG 4.26Å; N890-E918 PolarHBondContact ND2-OE1 3.32Å; N890-E918 PolarHBondContact ND2-OE2 3.39Å; N890-E918 PolarHBondContact O-N 2.93Å; N890-R919 PolarHBondContact O-N 2.94Å
891N60.7Low57.1Low34 Ų3443.3 Ų43.318%0.18226%0.255CS..EExtended strand (participates in β ladder)trans-124.4128.2-174.9-62.9-20000110.7K856 Q857 L858 R919K856-N891 PolarHBondContact O-N 3.45Å; Q857-N891 WeakPolarHBondContact CA-O 3.09Å; Q857-N891 HydrophobicContact CB-CB 3.82Å; Q857-N891 HydrophobicContact CG-CB 3.67Å; Q857-N891 PolarHBondContact OE1-ND2 3.27Å; L858-N891 PolarHBondContact N-O 2.8Å; N891-R919 VanDerWaalsContact CA-O 3.28Å; N891-R919 WeakPolarHBondContact CA-O 3.33Å; N891-R919 WeakPolarHBondContact OD1-CB 3.26Å
892L71.5Confident57.3Low7 Ų746.9 Ų46.94%0.03725%0.251CS..EExtended strand (participates in β ladder)trans-125.8135.8164.7178.463.8000108.3L858 L860 L889 L894 F907 L917 R919 L920 S921L858-L892 HydrophobicContact CB-CD1 4.14Å; L858-L892 HydrophobicContact CD2-CD1 4.05Å; L858-L892 HydrophobicContact CG-CD1 4.09Å; L860-L892 HydrophobicContact CD1-CD1 4.31Å; L889-L892 HydrophobicContact CD2-CB 4.29Å; L892-L894 HydrophobicContact CD1-CD2 4.48Å; L892-F907 HydrophobicContact CD2-CE2 4.07Å; L892-L917 HydrophobicContact CB-CD1 3.84Å; L892-L917 HydrophobicContact CB-CD2 4.29Å; L892-R919 PolarHBondContact N-O 3.15Å; L892-L920 HydrophobicContact CB-CD1 3.97Å; L892-L920 HydrophobicContact CD2-CD1 4.01Å; L892-L920 HydrophobicContact CG-CD1 4.06Å; L892-L920 WeakPolarHBondContact O-CA 3.4Å; L892-S921 PolarHBondContact O-N 3.3Å
893D69.8Low57.8Low13 Ų1343.1 Ų43.17%0.0724%0.235CC..EExtended strand (participates in β ladder)trans-139.6117.6-174.5-170.2-46000108.7L858 L859 L860 R861 G895 S921L858-D893 PolarHBondContact O-N 2.7Å; L858-D893 VanDerWaalsContact O-N 3.07Å; L859-D893 HydrophobicContact CD2-CB 3.35Å; L860-D893 PolarHBondContact N-O 3.19Å; R861-D893 VanDerWaalsContact CG-OD1 3.26Å; R861-D893 WeakPolarHBondContact CG-OD1 3.34Å; R861-D893 IonicContact CZ-OD1 3.54Å; R861-D893 IonicContact CZ-OD2 3.87Å; R861-D893 VanDerWaalsContact NE-CG 3.27Å; R861-D893 IonicContact NE-OD1 3.82Å; R861-D893 PolarHBondContact NE-OD1 3.03Å; R861-D893 IonicContact NE-OD2 3.09Å; R861-D893 PolarHBondContact NE-OD2 3.04Å; R861-D893 IonicContact NH2-OD1 2.9Å; R861-D893 IonicContact NH2-OD2 3.27Å; R861-D893 PolarHBondContact NH2-OD2 3.5Å; D893-G895 PolarHBondContact OD1-N 3.44Å; D893-S921 WeakPolarHBondContact CA-O 3.41Å
894L66.5Low58.4Low2 Ų239.1 Ų39.11%0.0121%0.207CC..  trans-101.7-13.7-176.8-67-177.2000113.1L860 R861 L865 L892 Y896 N897 F907 S921 L922 V925L860-L894 HydrophobicContact CB-CD2 4.12Å; L860-L894 HydrophobicContact CD1-CD2 4.05Å; R861-L894 WeakPolarHBondContact CA-O 3.19Å; L865-L894 HydrophobicContact CD1-CD2 3.92Å; L892-L894 HydrophobicContact CD1-CD2 4.48Å; L894-Y896 PolarHBondContact O-N 2.93Å; L894-N897 PolarHBondContact O-ND2 3.13Å; L894-N897 PolarHBondContact O-OD1 3.03Å; L894-N897 VanDerWaalsContact O-OD1 3.06Å; L894-F907 HydrophobicContact CD1-CD2 4.28Å; L894-F907 HydrophobicContact CD1-CE2 3.74Å; L894-F907 HydrophobicContact CD1-CZ 4.17Å; L894-S921 PolarHBondContact N-O 2.81Å; L894-S921 VanDerWaalsContact N-O 3.12Å; L894-L922 HydrophobicContact CB-CD2 4.42Å; L894-L922 HydrophobicContact CD1-CD2 3.9Å; L894-L922 HydrophobicContact CG-CD2 4.34Å; L894-V925 HydrophobicContact CB-CG2 3.58Å; L894-V925 HydrophobicContact CD1-CG2 4.46Å
895G63Low59.1Low5 Ų539 Ų395%0.05220%0.203CC..  trans48.1-133.6-179.500000114.3D893 N897 N924 V925D893-G895 PolarHBondContact OD1-N 3.44Å; G895-N897 PolarHBondContact O-N 3.25Å; G895-N897 VanDerWaalsContact O-N 3.14Å; G895-N924 CarbonylContact O-C 3.58Å; G895-V925 WeakPolarHBondContact O-CG2 3.21Å; G895-V925 PolarHBondContact O-N 3.45Å
896Y58.8Low60Low140 Ų14038.9 Ų38.955%0.54920%0.202SC..SBendtrans-87.960.9-171.1-129-60.9000113.1L894 N924L894-Y896 PolarHBondContact O-N 2.93Å; Y896-N924 HydrophobicContact CD1-CB 4.32Å; Y896-N924 HydrophobicContact CD2-CB 3.36Å; Y896-N924 WeakPolarHBondContact CD2-OD1 3.35Å; Y896-N924 HydrophobicContact CE2-CB 3.69Å; Y896-N924 WeakPolarHBondContact CE2-OD1 3.09Å; Y896-N924 HydrophobicContact CG-CB 3.69Å
897N61.6Low61Low2 Ų238.3 Ų38.31%0.01120%0.198CC..  trans-110138.9-177-63.8-0.3000111.7L860 G862 C863 L865 L894 G895 V925 Q926L860-N897 PolarHBondContact O-ND2 3.2Å; L860-N897 PolarHBondContact O-OD1 3.5Å; G862-N897 WeakPolarHBondContact CA-OD1 3.38Å; G862-N897 PolarHBondContact N-OD1 3.45Å; C863-N897 PolarHBondContact N-OD1 3.3Å; C863-N897 PolarHBondContact O-ND2 3.2Å; C863-N897 PolarHBondContact O-OD1 2.94Å; C863-N897 VanDerWaalsContact O-OD1 3.06Å; L865-N897 WeakPolarHBondContact CD1-ND2 3.37Å; L894-N897 PolarHBondContact O-ND2 3.13Å; L894-N897 PolarHBondContact O-OD1 3.03Å; L894-N897 VanDerWaalsContact O-OD1 3.06Å; G895-N897 PolarHBondContact O-N 3.25Å; G895-N897 VanDerWaalsContact O-N 3.14Å; N897-V925 WeakPolarHBondContact O-CA 3.2Å; N897-Q926 PolarHBondContact O-N 3.07Å
898L54.8Low61.6Low90 Ų9035.9 Ų35.947%0.47119%0.187SC..EExtended strand (participates in β ladder)trans-82.5135.2169.1-89.669.7000110.7L865 Q926 T928L865-L898 VanDerWaalsContact O-O 3.13Å; L898-Q926 CarbonylContact C-O 3.31Å; L898-Q926 WeakPolarHBondContact CA-O 3.26Å; L898-Q926 HydrophobicContact CD1-CB 4.22Å; L898-Q926 HydrophobicContact CG-CB 4.23Å; L898-T928 HydrophobicContact CD2-CG2 3.79Å; L898-T928 HydrophobicContact CG-CG2 3.87Å
899L58.5Low62.3Low2 Ų237.4 Ų37.41%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-122.4121.6172.6-61.3-179.4000109.7L870 V925 Q926 I927 T928L870-L899 HydrophobicContact CD1-CD2 3.81Å; L899-V925 HydrophobicContact CD1-CG1 3.57Å; L899-V925 HydrophobicContact CG-CG1 3.86Å; L899-Q926 PolarHBondContact N-O 3.07Å; L899-I927 CarbonylContact O-C 3.51Å; L899-I927 WeakPolarHBondContact O-CA 3.42Å; L899-T928 PolarHBondContact O-N 3.07Å; L899-T928 PolarHBondContact O-OG1 3.37Å
900G57.5Low62.6Low23 Ų2337.3 Ų37.324%0.23719%0.188CC..  trans-82.6174.9170.500000112.8E902 S903 V904G900-E902 VanDerWaalsContact C-N 3.29Å; G900-E902 PolarHBondContact O-N 3.41Å; G900-S903 PolarHBondContact N-OG 3.29Å; G900-S903 WeakPolarHBondContact O-CA 3.48Å; G900-S903 VanDerWaalsContact O-CB 3.23Å; G900-S903 WeakPolarHBondContact O-CB 3.49Å; G900-S903 PolarHBondContact O-N 2.96Å; G900-V904 PolarHBondContact O-N 2.91Å; G900-V904 VanDerWaalsContact O-N 3.13Å
901D53.2Low62.8Low68 Ų6836 Ų3636%0.36418%0.182SC..Hα-helixtrans-52.8-44.2177.9-69.9-59.3000112.8S903 V904 G929 A930 F931D901-S903 VanDerWaalsContact C-N 3.35Å; D901-S903 PolarHBondContact O-N 2.79Å; D901-V904 PolarHBondContact O-N 3.46Å; D901-G929 VanDerWaalsContact OD1-C 3.29Å; D901-G929 WeakPolarHBondContact OD1-CA 3.42Å; D901-G929 WeakPolarHBondContact OD2-CA 3.49Å; D901-A930 VanDerWaalsContact OD1-C 3.25Å; D901-A930 PolarHBondContact OD1-N 3.04Å; D901-A930 PolarHBondContact OD2-N 3.49Å; D901-F931 PolarHBondContact OD1-N 3.39Å
902E57.2Low62.9Low155 Ų15536.2 Ų36.272%0.72419%0.186SC*.Hα-helixtrans-63.3-39.7175-64.6-176.516100111.9A867 G900 V904 S905 S906A867-E902 HydrophobicContact CB-CB 3.41Å; A867-E902 VanDerWaalsContact CB-CB 3.41Å; G900-E902 VanDerWaalsContact C-N 3.29Å; G900-E902 PolarHBondContact O-N 3.41Å; E902-V904 VanDerWaalsContact C-N 3.29Å; E902-V904 PolarHBondContact O-N 3.07Å; E902-S905 PolarHBondContact O-N 3.01Å; E902-S906 PolarHBondContact O-N 2.88Å; E902-S906 PolarHBondContact O-OG 3.26Å
903S63.6Low62.4Low5 Ų539.3 Ų39.34%0.03520%0.199CC..Hα-helixtrans-61.6-35.2179.1-57.40000112.5A867 L870 G900 D901 S906 F907A867-S903 WeakPolarHBondContact CA-OG 3.42Å; A867-S903 PolarHBondContact N-OG 3.25Å; A867-S903 VanDerWaalsContact N-OG 3.13Å; L870-S903 WeakPolarHBondContact CD1-O 3.48Å; G900-S903 PolarHBondContact N-OG 3.29Å; G900-S903 WeakPolarHBondContact O-CA 3.48Å; G900-S903 VanDerWaalsContact O-CB 3.23Å; G900-S903 WeakPolarHBondContact O-CB 3.49Å; G900-S903 PolarHBondContact O-N 2.96Å; D901-S903 VanDerWaalsContact C-N 3.35Å; D901-S903 PolarHBondContact O-N 2.79Å; S903-S906 PolarHBondContact O-N 3.46Å; S903-F907 WeakPolarHBondContact O-CB 3.45Å; S903-F907 PolarHBondContact O-N 2.92Å
904V60.2Low62.1Low1 Ų138.9 Ų38.91%0.00620%0.198CC..Hα-helixtrans-65.3-40.8179.1171.20000111.5G900 D901 E902 F907 L908 I927 F931 F994G900-V904 PolarHBondContact O-N 2.91Å; G900-V904 VanDerWaalsContact O-N 3.13Å; D901-V904 PolarHBondContact O-N 3.46Å; E902-V904 VanDerWaalsContact C-N 3.29Å; E902-V904 PolarHBondContact O-N 3.07Å; V904-F907 PolarHBondContact O-N 3.28Å; V904-L908 HydrophobicContact CG1-CD1 4.2Å; V904-L908 WeakPolarHBondContact O-CG 3.48Å; V904-L908 PolarHBondContact O-N 3.31Å; V904-I927 HydrophobicContact CG2-CG2 4.07Å; V904-F931 HydrophobicContact CB-CE2 4.41Å; V904-F931 HydrophobicContact CG1-CD2 4.31Å; V904-F931 HydrophobicContact CG1-CE2 3.71Å; V904-F994 HydrophobicContact CG1-CE1 3.98Å; V904-F994 HydrophobicContact CG1-CZ 3.89Å
905S60.7Low61.6Low59 Ų5941.9 Ų41.941%0.41322%0.219SC..Hα-helixtrans-61.8-47.2177.1-171.40000111.7E902 F907 L908 R909E902-S905 PolarHBondContact O-N 3.01Å; S905-F907 VanDerWaalsContact C-N 3.34Å; S905-F907 PolarHBondContact O-N 3.34Å; S905-L908 PolarHBondContact O-N 3.32Å; S905-R909 PolarHBondContact O-N 3.37Å
906S66.9Low61.1Low3 Ų346.9 Ų46.92%0.02124%0.239CC..Hα-helixtrans-61.7-40.7175.4-47.80000112.4L870 E871 E902 S903 R909 I910L870-S906 VanDerWaalsContact CB-CB 3.43Å; E871-S906 WeakPolarHBondContact CG-OG 3.45Å; E871-S906 WeakPolarHBondContact OE1-CA 3.35Å; E871-S906 WeakPolarHBondContact OE1-CB 3.47Å; E871-S906 PolarHBondContact OE1-OG 2.78Å; E902-S906 PolarHBondContact O-N 2.88Å; E902-S906 PolarHBondContact O-OG 3.26Å; S903-S906 PolarHBondContact O-N 3.46Å; S906-R909 WeakPolarHBondContact O-CB 3.38Å; S906-R909 PolarHBondContact O-N 3.21Å; S906-I910 WeakPolarHBondContact O-CD1 3.43Å; S906-I910 WeakPolarHBondContact O-CG1 2.91Å; S906-I910 PolarHBondContact O-N 3.48Å
907F69.3Low61.1Low2 Ų241 Ų411%0.00922%0.217CC..Hα-helixtrans-63.7-40.2177.7-174.8-113.7000112.8L870 L892 L894 S903 V904 S905 R909 I910 L911 L920 L922 F994L870-F907 HydrophobicContact CD1-CB 4.31Å; L892-F907 HydrophobicContact CD2-CE2 4.07Å; L894-F907 HydrophobicContact CD1-CD2 4.28Å; L894-F907 HydrophobicContact CD1-CE2 3.74Å; L894-F907 HydrophobicContact CD1-CZ 4.17Å; S903-F907 WeakPolarHBondContact O-CB 3.45Å; S903-F907 PolarHBondContact O-N 2.92Å; V904-F907 PolarHBondContact O-N 3.28Å; S905-F907 VanDerWaalsContact C-N 3.34Å; S905-F907 PolarHBondContact O-N 3.34Å; F907-R909 VanDerWaalsContact C-N 3.34Å; F907-R909 PolarHBondContact O-N 3.12Å; F907-I910 WeakPolarHBondContact O-CB 3.33Å; F907-I910 PolarHBondContact O-N 2.88Å; F907-L911 HydrophobicContact CD1-CD1 3.97Å; F907-L911 HydrophobicContact CD1-CG 4.29Å; F907-L911 HydrophobicContact CE1-CD1 3.43Å; F907-L911 VanDerWaalsContact CE1-CD1 3.43Å; F907-L911 HydrophobicContact CE1-CD2 4.39Å; F907-L911 HydrophobicContact CE1-CG 3.87Å; F907-L911 HydrophobicContact CE2-CD2 4.44Å; F907-L911 HydrophobicContact CE2-CG 4.35Å; F907-L911 HydrophobicContact CZ-CD1 3.87Å; F907-L911 HydrophobicContact CZ-CD2 3.98Å; F907-L911 HydrophobicContact CZ-CG 3.89Å; F907-L911 PolarHBondContact O-N 2.74Å; F907-L920 HydrophobicContact CE1-CD2 4.36Å; F907-L920 HydrophobicContact CZ-CD1 3.99Å; F907-L920 HydrophobicContact CZ-CD2 4.03Å; F907-L922 HydrophobicContact CZ-CD2 4.19Å; F907-F994 HydrophobicContact CD1-CD2 4.1Å; F907-F994 AromaticContact CD1-CE2 3.48Å; F907-F994 HydrophobicContact CD1-CE2 3.48Å; F907-F994 VanDerWaalsContact CD1-CE2 3.48Å; F907-F994 AromaticContact CD1-CZ 3.95Å; F907-F994 HydrophobicContact CD1-CZ 3.95Å; F907-F994 AromaticContact CE1-CD2 3.7Å; F907-F994 HydrophobicContact CE1-CD2 3.7Å; F907-F994 AromaticContact CE1-CE2 3.45Å; F907-F994 HydrophobicContact CE1-CE2 3.45Å; F907-F994 VanDerWaalsContact CE1-CE2 3.45Å; F907-F994 HydrophobicContact CE1-CZ 4.36Å
908L63.8Low60.6Low29 Ų2947.4 Ų47.415%0.15225%0.247CC..Hα-helixtrans-63.1-37.4175.6-75.2167.4000112.5V904 S905 I910 L911 S912 W939 L991 F994V904-L908 HydrophobicContact CG1-CD1 4.2Å; V904-L908 WeakPolarHBondContact O-CG 3.48Å; V904-L908 PolarHBondContact O-N 3.31Å; S905-L908 PolarHBondContact O-N 3.32Å; L908-I910 VanDerWaalsContact C-N 3.35Å; L908-I910 PolarHBondContact O-N 3.33Å; L908-L911 PolarHBondContact O-N 3.39Å; L908-S912 PolarHBondContact O-N 3.44Å; L908-W939 HydrophobicContact CD1-CH2 4.34Å; L908-L991 HydrophobicContact CD2-CD1 4.45Å; L908-F994 HydrophobicContact CD1-CE1 4.33Å; L908-F994 HydrophobicContact CD2-CD1 3.69Å; L908-F994 HydrophobicContact CD2-CE1 3.83Å; L908-F994 HydrophobicContact CD2-CG 4.43Å; L908-F994 HydrophobicContact CG-CD1 4.46Å; L908-F994 HydrophobicContact CG-CE1 4.1Å
909R66.6Low60.2Low104 Ų10451.4 Ų51.439%0.39226%0.256SS..Hα-helixtrans-62.7-38.7173-66172.2174.4172.4-3.1112.5E871 Y874 S905 S906 F907 S912 H913E871-R909 IonicContact OE1-CZ 2.71Å; E871-R909 IonicContact OE1-NH1 3.45Å; E871-R909 PolarHBondContact OE1-NH1 2.75Å; E871-R909 IonicContact OE2-NH1 2.76Å; E871-R909 PolarHBondContact OE2-NH1 3.08Å; Y874-R909 HydrophobicContact CD2-CB 3.9Å; Y874-R909 HydrophobicContact CE2-CB 3.99Å; Y874-R909 HydrophobicContact CG-CB 4.27Å; S905-R909 PolarHBondContact O-N 3.37Å; S906-R909 WeakPolarHBondContact O-CB 3.38Å; S906-R909 PolarHBondContact O-N 3.21Å; F907-R909 VanDerWaalsContact C-N 3.34Å; F907-R909 PolarHBondContact O-N 3.12Å; R909-S912 PolarHBondContact O-OG 3.35Å; R909-H913 PolarHBondContact O-ND1 3.17Å
910I68.9Low60.1Low3 Ų352.7 Ų52.72%0.01526%0.262CS..Hα-helixtrans-67.3-43.2175.1-64.1155.5000110.4L870 F873 L877 S906 F907 L908 H913 C914L870-I910 HydrophobicContact CB-CD1 4.09Å; L870-I910 HydrophobicContact CD2-CD1 3.79Å; F873-I910 HydrophobicContact CB-CD1 4.4Å; F873-I910 HydrophobicContact CD1-CD1 3.76Å; F873-I910 HydrophobicContact CD1-CG1 4.07Å; F873-I910 HydrophobicContact CD1-CG2 4.12Å; F873-I910 HydrophobicContact CE1-CG2 4.01Å; L877-I910 HydrophobicContact CD1-CG1 4.46Å; L877-I910 HydrophobicContact CD1-CG2 4.09Å; S906-I910 WeakPolarHBondContact O-CD1 3.43Å; S906-I910 WeakPolarHBondContact O-CG1 2.91Å; S906-I910 PolarHBondContact O-N 3.48Å; F907-I910 WeakPolarHBondContact O-CB 3.33Å; F907-I910 PolarHBondContact O-N 2.88Å; L908-I910 VanDerWaalsContact C-N 3.35Å; L908-I910 PolarHBondContact O-N 3.33Å; I910-H913 PolarHBondContact O-N 2.93Å; I910-C914 PolarHBondContact O-N 2.86Å
911L65.5Low59.8Low10 Ų1052.1 Ų52.15%0.05226%0.255CS..Hα-helixtrans-66.3-36.7-179.5-76.6-173.2000113.9F907 L908 H913 C914 L917 L920 F994F907-L911 HydrophobicContact CD1-CD1 3.97Å; F907-L911 HydrophobicContact CD1-CG 4.29Å; F907-L911 HydrophobicContact CE1-CD1 3.43Å; F907-L911 VanDerWaalsContact CE1-CD1 3.43Å; F907-L911 HydrophobicContact CE1-CD2 4.39Å; F907-L911 HydrophobicContact CE1-CG 3.87Å; F907-L911 HydrophobicContact CE2-CD2 4.44Å; F907-L911 HydrophobicContact CE2-CG 4.35Å; F907-L911 HydrophobicContact CZ-CD1 3.87Å; F907-L911 HydrophobicContact CZ-CD2 3.98Å; F907-L911 HydrophobicContact CZ-CG 3.89Å; F907-L911 PolarHBondContact O-N 2.74Å; L908-L911 PolarHBondContact O-N 3.39Å; L911-H913 PolarHBondContact O-N 3.1Å; L911-C914 PolarHBondContact O-N 3.12Å; L911-L917 HydrophobicContact CD2-CD2 4Å; L911-L920 HydrophobicContact CD1-CD2 4.46Å; L911-L920 HydrophobicContact CD2-CD2 4.42Å; L911-F994 HydrophobicContact CD1-CD2 4.33Å; L911-F994 HydrophobicContact CD1-CG 4.48Å
912S62.4Low60Low38 Ų3849.8 Ų49.827%0.26624%0.242SC..Hα-helixtrans-61.6-34.617866.20000112.1L908 R909L908-S912 PolarHBondContact O-N 3.44Å; R909-S912 PolarHBondContact O-OG 3.35Å
913H62.5Low59.4Low71 Ų7148.2 Ų48.233%0.32924%0.239SC..Hα-helixtrans-78.6-27.9-180-71.965.9000113.4Y874 L886 R909 I910 L911 S915Y874-H913 AromaticContact CE2-CE1 3.62Å; Y874-H913 AromaticContact CE2-ND1 3.9Å; Y874-H913 AromaticContact CE2-NE2 3.98Å; L886-H913 HydrophobicContact CD1-CB 4.09Å; L886-H913 HydrophobicContact CD2-CB 3.9Å; L886-H913 HydrophobicContact CG-CB 4.48Å; R909-H913 PolarHBondContact O-ND1 3.17Å; I910-H913 PolarHBondContact O-N 2.93Å; L911-H913 PolarHBondContact O-N 3.1Å; H913-S915 PolarHBondContact O-N 3.35Å
914C62.6Low58.5Low5 Ų551.8 Ų51.83%0.03426%0.258CS..  trans-84.565.4-175.6-78.70000114I910 L911 K916 L917 K990I910-C914 PolarHBondContact O-N 2.86Å; L911-C914 PolarHBondContact O-N 3.12Å; C914-K916 VanDerWaalsContact C-N 3.3Å; C914-K916 PolarHBondContact O-N 3.2Å; C914-K916 VanDerWaalsContact O-N 3.12Å; C914-L917 PolarHBondContact O-N 3.48Å; C914-K990 PolarHBondContact O-NZ 2.72Å
915S55.4Low57.9Low65 Ų6553.1 Ų53.146%0.45527%0.265SS..THydrogen-bonded Turntrans-60-25.8-170.274.50000116.2M887 H913 K990M887-S915 WeakPolarHBondContact CG-OG 3.36Å; H913-S915 PolarHBondContact O-N 3.35Å; S915-K990 PolarHBondContact O-NZ 3.4Å
916K54Low57.3Low110 Ų11054.4 Ų54.448%0.47827%0.265SS..THydrogen-bonded Turntrans-101.34-178.5-67.3-149.4-159.390.50117.7M887 L889 C914 E918M887-K916 HydrophobicContact CB-CG 4.36Å; M887-K916 WeakPolarHBondContact O-CB 3.46Å; M887-K916 WeakPolarHBondContact O-CD 3.41Å; M887-K916 WeakPolarHBondContact O-CE 3.36Å; M887-K916 WeakPolarHBondContact O-CG 3.32Å; M887-K916 PolarHBondContact O-NZ 3.35Å; L889-K916 CarbonylContact O-C 3.52Å; C914-K916 VanDerWaalsContact C-N 3.3Å; C914-K916 PolarHBondContact O-N 3.2Å; C914-K916 VanDerWaalsContact O-N 3.12Å; K916-E918 PolarHBondContact O-N 3.45Å
917L58Low56.7Low15 Ų1556.9 Ų56.98%0.07928%0.277CS..  trans-48.7110.9173-14776000112.1L889 N890 L892 L911 C914 L920 K990L889-L917 HydrophobicContact CB-CD1 4.4Å; L889-L917 HydrophobicContact CD2-CD1 3.92Å; L889-L917 HydrophobicContact CG-CD1 3.92Å; L889-L917 VanDerWaalsContact O-CA 3.26Å; L889-L917 WeakPolarHBondContact O-CA 3.3Å; L889-L917 WeakPolarHBondContact O-CD1 3.46Å; L889-L917 PolarHBondContact O-N 2.9Å; L889-L917 VanDerWaalsContact O-N 3.12Å; N890-L917 CarbonylContact O-C 3.59Å; N890-L917 WeakPolarHBondContact O-CA 3.29Å; L892-L917 HydrophobicContact CB-CD1 3.84Å; L892-L917 HydrophobicContact CB-CD2 4.29Å; L911-L917 HydrophobicContact CD2-CD2 4Å; C914-L917 PolarHBondContact O-N 3.48Å; L917-L920 HydrophobicContact CD2-CB 3.97Å; L917-L920 HydrophobicContact CD2-CD1 4.05Å; L917-K990 HydrophobicContact CB-CD 4.42Å; L917-K990 WeakPolarHBondContact O-CE 3.45Å; L917-K990 PolarHBondContact O-NZ 3.44Å
918E50.6Low55.2Low137 Ų13760.5 Ų60.564%0.6430%0.3SS*.  trans-86.8-34.1175.3-64.4179.5146.400110.8N890 K916N890-E918 HydrophobicContact CB-CB 4.48Å; N890-E918 HydrophobicContact CB-CG 4.26Å; N890-E918 PolarHBondContact ND2-OE1 3.32Å; N890-E918 PolarHBondContact ND2-OE2 3.39Å; N890-E918 PolarHBondContact O-N 2.93Å; K916-E918 PolarHBondContact O-N 3.45Å
919R46.4Very low54.1Low174 Ų17460.6 Ų60.666%0.65731%0.308SS*.EExtended strand (participates in β ladder)trans-135.2117.5-175.6-147.2172.6-173.9160.2-0.3110.2N890 N891 L892N890-R919 PolarHBondContact O-N 2.94Å; N891-R919 VanDerWaalsContact CA-O 3.28Å; N891-R919 WeakPolarHBondContact CA-O 3.33Å; N891-R919 WeakPolarHBondContact OD1-CB 3.26Å; L892-R919 PolarHBondContact N-O 3.15Å
920L57Low52.6Low29 Ų2958.6 Ų58.615%0.15231%0.314CS..EExtended strand (participates in β ladder)trans-104.8124.9160.5-176.366.5000106.1L892 F907 L911 L917 L922L892-L920 HydrophobicContact CB-CD1 3.97Å; L892-L920 HydrophobicContact CD2-CD1 4.01Å; L892-L920 HydrophobicContact CG-CD1 4.06Å; L892-L920 WeakPolarHBondContact O-CA 3.4Å; F907-L920 HydrophobicContact CE1-CD2 4.36Å; F907-L920 HydrophobicContact CZ-CD1 3.99Å; F907-L920 HydrophobicContact CZ-CD2 4.03Å; L911-L920 HydrophobicContact CD1-CD2 4.46Å; L911-L920 HydrophobicContact CD2-CD2 4.42Å; L917-L920 HydrophobicContact CD2-CB 3.97Å; L917-L920 HydrophobicContact CD2-CD1 4.05Å; L920-L922 HydrophobicContact CD1-CD2 3.95Å; L920-L922 HydrophobicContact CD2-CD1 3.94Å; L920-L922 HydrophobicContact CD2-CD2 3.97Å; L920-L922 HydrophobicContact CD2-CG 3.87Å; L920-L922 HydrophobicContact CG-CD2 3.83Å; L920-L922 HydrophobicContact CG-CG 3.88Å
921S51Low51.1Low11 Ų1161.5 Ų61.58%0.07733%0.326CS..EExtended strand (participates in β ladder)trans-105.6115167.51720000107.8L892 D893 L894 D923L892-S921 PolarHBondContact O-N 3.3Å; D893-S921 WeakPolarHBondContact CA-O 3.41Å; L894-S921 PolarHBondContact N-O 2.81Å; L894-S921 VanDerWaalsContact N-O 3.12Å; S921-D923 WeakPolarHBondContact CB-OD2 3.4Å; S921-D923 PolarHBondContact OG-OD2 2.64Å
922L56.7Low49.5Very low19 Ų1969.2 Ų69.210%0.09936%0.36CS..  trans-111.422.6170.3-57.2-173.6000109.7L894 F907 L920 N924 V925 F994 L997L894-L922 HydrophobicContact CB-CD2 4.42Å; L894-L922 HydrophobicContact CD1-CD2 3.9Å; L894-L922 HydrophobicContact CG-CD2 4.34Å; F907-L922 HydrophobicContact CZ-CD2 4.19Å; L920-L922 HydrophobicContact CD1-CD2 3.95Å; L920-L922 HydrophobicContact CD2-CD1 3.94Å; L920-L922 HydrophobicContact CD2-CD2 3.97Å; L920-L922 HydrophobicContact CD2-CG 3.87Å; L920-L922 HydrophobicContact CG-CD2 3.83Å; L920-L922 HydrophobicContact CG-CG 3.88Å; L922-N924 PolarHBondContact O-N 3.19Å; L922-V925 HydrophobicContact CB-CB 4.15Å; L922-V925 HydrophobicContact CB-CG2 3.99Å; L922-V925 HydrophobicContact CD2-CG2 4.03Å; L922-V925 PolarHBondContact O-N 3.03Å; L922-F994 HydrophobicContact CD1-CD2 4.18Å; L922-F994 HydrophobicContact CD1-CE2 4.35Å; L922-L997 HydrophobicContact CB-CD1 4.24Å; L922-L997 HydrophobicContact CD1-CD1 3.87Å; L922-L997 HydrophobicContact CG-CD1 4.27Å
923D44.4Very low48.3Very low123 Ų12370.6 Ų70.666%0.65836%0.364SS*.THydrogen-bonded Turntrans-68.52.6-156.2-52.2-30.6000114.6S921S921-D923 WeakPolarHBondContact CB-OD2 3.4Å; S921-D923 PolarHBondContact OG-OD2 2.64Å
924N44.9Very low46.9Very low80 Ų8074.9 Ų74.943%0.42838%0.384SS..THydrogen-bonded Turntrans-146.218.8166.8-60.5-98.8000113.2G895 Y896 L922G895-N924 CarbonylContact O-C 3.58Å; Y896-N924 HydrophobicContact CD1-CB 4.32Å; Y896-N924 HydrophobicContact CD2-CB 3.36Å; Y896-N924 WeakPolarHBondContact CD2-OD1 3.35Å; Y896-N924 HydrophobicContact CE2-CB 3.69Å; Y896-N924 WeakPolarHBondContact CE2-OD1 3.09Å; Y896-N924 HydrophobicContact CG-CB 3.69Å; L922-N924 PolarHBondContact O-N 3.19Å
925V48.2Very low45.5Very low28 Ų2881.2 Ų81.217%0.1741%0.413CS..  trans-77.2127.1-174.5173.60000110.3L894 G895 N897 L899 L922L894-V925 HydrophobicContact CB-CG2 3.58Å; L894-V925 HydrophobicContact CD1-CG2 4.46Å; G895-V925 WeakPolarHBondContact O-CG2 3.21Å; G895-V925 PolarHBondContact O-N 3.45Å; N897-V925 WeakPolarHBondContact O-CA 3.2Å; L899-V925 HydrophobicContact CD1-CG1 3.57Å; L899-V925 HydrophobicContact CG-CG1 3.86Å; L922-V925 HydrophobicContact CB-CB 4.15Å; L922-V925 HydrophobicContact CB-CG2 3.99Å; L922-V925 HydrophobicContact CD2-CG2 4.03Å; L922-V925 PolarHBondContact O-N 3.03Å
926Q48.5Very low44.5Very low87 Ų8783.3 Ų83.341%0.40742%0.415SS..EExtended strand (participates in β ladder)trans-101116.2178.6-68.9-173-15.300110.5N897 L898 L899 T928N897-Q926 PolarHBondContact O-N 3.07Å; L898-Q926 CarbonylContact C-O 3.31Å; L898-Q926 WeakPolarHBondContact CA-O 3.26Å; L898-Q926 HydrophobicContact CD1-CB 4.22Å; L898-Q926 HydrophobicContact CG-CB 4.23Å; L899-Q926 PolarHBondContact N-O 3.07Å; Q926-T928 HydrophobicContact CB-CG2 4.48Å; Q926-T928 PolarHBondContact O-N 3.12Å
927I53.3Low43.7Very low54 Ų5486.2 Ų86.228%0.27743%0.428SS..EExtended strand (participates in β ladder)trans-85.5109.4171.1-58.2178.2000108.1L899 V904 Y998L899-I927 CarbonylContact O-C 3.51Å; L899-I927 WeakPolarHBondContact O-CA 3.42Å; V904-I927 HydrophobicContact CG2-CG2 4.07Å; I927-Y998 HydrophobicContact CD1-CD2 3.92Å; I927-Y998 HydrophobicContact CG2-CE2 4.47Å
928T39.4Very low42.9Very low78 Ų7890.3 Ų90.348%0.47945%0.45SS..  trans-105.970.7-179.857.80000109.6L898 L899 Q926L898-T928 HydrophobicContact CD2-CG2 3.79Å; L898-T928 HydrophobicContact CG-CG2 3.87Å; L899-T928 PolarHBondContact O-N 3.07Å; L899-T928 PolarHBondContact O-OG1 3.37Å; Q926-T928 HydrophobicContact CB-CG2 4.48Å; Q926-T928 PolarHBondContact O-N 3.12Å
929G39Very low42.5Very low31 Ų3188.2 Ų88.232%0.3244%0.436SS..SBendtrans-160.3159.2-17600000111.8D901D901-G929 VanDerWaalsContact OD1-C 3.29Å; D901-G929 WeakPolarHBondContact OD1-CA 3.42Å; D901-G929 WeakPolarHBondContact OD2-CA 3.49Å
930A35.2Very low42Very low63 Ų6384.1 Ų84.152%0.52142%0.424SS..  trans-115.597.9173.600000108.2D901 F932D901-A930 VanDerWaalsContact OD1-C 3.25Å; D901-A930 PolarHBondContact OD1-N 3.04Å; D901-A930 PolarHBondContact OD2-N 3.49Å; A930-F932 HydrophobicContact CB-CD2 4.38Å; A930-F932 PolarHBondContact O-N 3.41Å
931F38.3Very low41.3Very low64 Ų6487.6 Ų87.628%0.28144%0.44SS..  trans-69.171.2-170.6-158.5-98.6000112.6D901 V904 L933 W939 Y998D901-F931 PolarHBondContact OD1-N 3.39Å; V904-F931 HydrophobicContact CB-CE2 4.41Å; V904-F931 HydrophobicContact CG1-CD2 4.31Å; V904-F931 HydrophobicContact CG1-CE2 3.71Å; F931-L933 HydrophobicContact CD1-CG 4.48Å; F931-L933 PolarHBondContact O-N 3.26Å; F931-L933 VanDerWaalsContact O-N 3.16Å; F931-W939 HydrophobicContact CE1-CZ2 4.29Å; F931-W939 HydrophobicContact CZ-CZ2 4.1Å; F931-Y998 HydrophobicContact CB-CE2 4.1Å; F931-Y998 WeakPolarHBondContact CB-OH 3.39Å; F931-Y998 HydrophobicContact CG-CE2 4.48Å
932F32.6Very low40.8Very low172 Ų17291 Ų9175%0.75445%0.454SS*.  trans-66.6113.7-180-102.4-85.2000110.1A930 H934A930-F932 HydrophobicContact CB-CD2 4.38Å; A930-F932 PolarHBondContact O-N 3.41Å; F932-H934 PolarHBondContact O-N 3.02Å
933L36.1Very low40.1Very low66 Ų6694.7 Ų94.735%0.34647%0.469SS..  trans-71.529.5-178.7-70129.8000114.2F931 Q935 F975F931-L933 HydrophobicContact CD1-CG 4.48Å; F931-L933 PolarHBondContact O-N 3.26Å; F931-L933 VanDerWaalsContact O-N 3.16Å; L933-Q935 PolarHBondContact O-N 3.34Å; L933-Q935 VanDerWaalsContact O-N 3.15Å; L933-F975 HydrophobicContact CD1-CB 4.49Å; L933-F975 HydrophobicContact CD1-CD1 3.65Å; L933-F975 HydrophobicContact CD1-CD2 3.54Å; L933-F975 HydrophobicContact CD1-CE1 3.62Å; L933-F975 HydrophobicContact CD1-CE2 3.53Å; L933-F975 HydrophobicContact CD1-CG 3.61Å; L933-F975 HydrophobicContact CD1-CZ 3.56Å; L933-F975 HydrophobicContact CD2-CD2 3.83Å; L933-F975 HydrophobicContact CD2-CE2 3.27Å; L933-F975 HydrophobicContact CD2-CZ 3.75Å; L933-F975 HydrophobicContact CG-CD2 4.24Å; L933-F975 HydrophobicContact CG-CE2 4Å; L933-F975 HydrophobicContact CG-CZ 4.27Å
934H33.8Very low39.9Very low162 Ų16295.7 Ų95.775%0.7546%0.464SS*.THydrogen-bonded Turntrans-76.1-1.9-170.2-131.2-44.7000114.2F932F932-H934 PolarHBondContact O-N 3.02Å
935Q32.9Very low39.6Very low138 Ų13897.1 Ų97.165%0.64547%0.471SS*.THydrogen-bonded Turntrans-126.754.4178.8-58.6-160.461.100112.8L933 K937 D938L933-Q935 PolarHBondContact O-N 3.34Å; L933-Q935 VanDerWaalsContact O-N 3.15Å; Q935-K937 PolarHBondContact O-N 2.84Å; Q935-D938 PolarHBondContact O-N 3.07Å
936Q35.2Very low39.1Very low109 Ų10999 Ų9951%0.50948%0.48SS..Hα-helixtrans-51.9-24.2172.8-83.3-173.9-29.200114.8D938 W939 E940Q936-D938 VanDerWaalsContact C-N 3.32Å; Q936-D938 PolarHBondContact O-N 3.45Å; Q936-W939 PolarHBondContact O-N 2.92Å; Q936-E940 PolarHBondContact O-N 3.41Å
937K37Very low38.5Very low170 Ų170104 Ų10474%0.73950%0.504SS*.Hα-helixtrans-62-35.9-179.3-73.6-174.9173.6-179.60113.6Q935 W939 E940 Q941Q935-K937 PolarHBondContact O-N 2.84Å; K937-W939 VanDerWaalsContact C-N 3.35Å; K937-E940 PolarHBondContact O-N 2.87Å; K937-Q941 PolarHBondContact O-N 3.27Å; K937-Q941 VanDerWaalsContact O-N 3.17Å
938D41.2Very low37.7Very low102 Ų102109 Ų10955%0.54553%0.531SS..Hα-helixtrans-74.4-31.1-175.4-71.713.5000111.1Q935 Q936 Q941 F942Q935-D938 PolarHBondContact O-N 3.07Å; Q936-D938 VanDerWaalsContact C-N 3.32Å; Q936-D938 PolarHBondContact O-N 3.45Å; D938-Q941 PolarHBondContact O-N 3.34Å; D938-F942 VanDerWaalsContact O-CB 3.23Å; D938-F942 WeakPolarHBondContact O-CB 3.46Å; D938-F942 PolarHBondContact O-N 2.85Å
939W41.3Very low37.4Very low93 Ų93109.4 Ų109.435%0.35253%0.526SS..Hα-helixtrans-67.2-42.1172.6-72.396.6000112.5L908 F931 Q936 K937 Q941 F942 F943L908-W939 HydrophobicContact CD1-CH2 4.34Å; F931-W939 HydrophobicContact CE1-CZ2 4.29Å; F931-W939 HydrophobicContact CZ-CZ2 4.1Å; Q936-W939 PolarHBondContact O-N 2.92Å; K937-W939 VanDerWaalsContact C-N 3.35Å; W939-Q941 PolarHBondContact O-N 3.02Å; W939-F942 PolarHBondContact O-N 3.48Å; W939-F943 HydrophobicContact CE3-CD2 4.47Å; W939-F943 AromaticContact CE3-CE2 3.61Å; W939-F943 HydrophobicContact CE3-CE2 3.61Å; W939-F943 AromaticContact CE3-CZ 3.96Å; W939-F943 HydrophobicContact CE3-CZ 3.96Å; W939-F943 HydrophobicContact CZ3-CE2 4.18Å; W939-F943 HydrophobicContact CZ3-CZ 4.07Å; W939-F943 VanDerWaalsContact O-CD2 3.24Å; W939-F943 WeakPolarHBondContact O-CD2 3.48Å; W939-F943 PolarHBondContact O-N 3.32Å; W939-F943 VanDerWaalsContact O-N 3.07Å
940E37.1Very low36.9Very low87 Ų87111.4 Ų111.441%0.40755%0.547SS..Hα-helixtrans-64.9-25.2173.2-74.9-156152.200113Q936 K937 R944Q936-E940 PolarHBondContact O-N 3.41Å; K937-E940 PolarHBondContact O-N 2.87Å; E940-R944 WeakPolarHBondContact O-CB 3.34Å; E940-R944 WeakPolarHBondContact O-CD 3.36Å; E940-R944 WeakPolarHBondContact O-CG 3.23Å; E940-R944 PolarHBondContact O-NE 3.08Å; E940-R944 IonicContact OE1-NH2 3.53Å; E940-R944 PolarHBondContact OE1-NH2 3.12Å; E940-R944 IonicContact OE2-CZ 3.99Å; E940-R944 IonicContact OE2-NH2 2.79Å; E940-R944 PolarHBondContact OE2-NH2 3.02Å
941Q41.2Very low36.5Very low103 Ų103111.4 Ų111.448%0.48154%0.542SS..Hα-helixtrans-81-47176-158.968.945.500110.4K937 D938 W939 F943 R944 D945K937-Q941 PolarHBondContact O-N 3.27Å; K937-Q941 VanDerWaalsContact O-N 3.17Å; D938-Q941 PolarHBondContact O-N 3.34Å; W939-Q941 PolarHBondContact O-N 3.02Å; Q941-F943 VanDerWaalsContact C-N 3.31Å; Q941-F943 PolarHBondContact O-N 3.33Å; Q941-R944 PolarHBondContact O-N 3.46Å; Q941-D945 WeakPolarHBondContact CG-OD2 3.24Å; Q941-D945 VanDerWaalsContact NE2-CG 3.29Å; Q941-D945 PolarHBondContact NE2-OD1 3.08Å; Q941-D945 VanDerWaalsContact NE2-OD1 3.1Å; Q941-D945 PolarHBondContact NE2-OD2 2.96Å; Q941-D945 PolarHBondContact O-N 2.85Å
942F41.3Very low36Very low82 Ų82115.1 Ų115.136%0.3657%0.57SS.*Hα-helixtrans-54.6-40.6176.7-179.3-97.4000113.2D938 W939D938-F942 VanDerWaalsContact O-CB 3.23Å; D938-F942 WeakPolarHBondContact O-CB 3.46Å; D938-F942 PolarHBondContact O-N 2.85Å; W939-F942 PolarHBondContact O-N 3.48Å
943F42.4Very low35.8Very low97 Ų97114.8 Ų114.843%0.42557%0.571SS.*THydrogen-bonded Turntrans-86.30.6176.8-66.6-54.7000115.1W939 Q941W939-F943 HydrophobicContact CE3-CD2 4.47Å; W939-F943 AromaticContact CE3-CE2 3.61Å; W939-F943 HydrophobicContact CE3-CE2 3.61Å; W939-F943 AromaticContact CE3-CZ 3.96Å; W939-F943 HydrophobicContact CE3-CZ 3.96Å; W939-F943 HydrophobicContact CZ3-CE2 4.18Å; W939-F943 HydrophobicContact CZ3-CZ 4.07Å; W939-F943 VanDerWaalsContact O-CD2 3.24Å; W939-F943 WeakPolarHBondContact O-CD2 3.48Å; W939-F943 PolarHBondContact O-N 3.32Å; W939-F943 VanDerWaalsContact O-N 3.07Å; Q941-F943 VanDerWaalsContact C-N 3.31Å; Q941-F943 PolarHBondContact O-N 3.33Å
944R38.3Very low35.6Very low144 Ų144116.8 Ų116.854%0.54359%0.586SS.*THydrogen-bonded Turntrans-106.6-33.2176.5-77177-142.3-109.510.9113.7E940 Q941E940-R944 WeakPolarHBondContact O-CB 3.34Å; E940-R944 WeakPolarHBondContact O-CD 3.36Å; E940-R944 WeakPolarHBondContact O-CG 3.23Å; E940-R944 PolarHBondContact O-NE 3.08Å; E940-R944 IonicContact OE1-NH2 3.53Å; E940-R944 PolarHBondContact OE1-NH2 3.12Å; E940-R944 IonicContact OE2-CZ 3.99Å; E940-R944 IonicContact OE2-NH2 2.79Å; E940-R944 PolarHBondContact OE2-NH2 3.02Å; Q941-R944 PolarHBondContact O-N 3.46Å
945D39.2Very low35.2Very low110 Ų110112.7 Ų112.759%0.58857%0.57SS**SBendtrans-93.4-6.8-167.8-68-4.3000114.1Q941Q941-D945 WeakPolarHBondContact CG-OD2 3.24Å; Q941-D945 VanDerWaalsContact NE2-CG 3.29Å; Q941-D945 PolarHBondContact NE2-OD1 3.08Å; Q941-D945 VanDerWaalsContact NE2-OD1 3.1Å; Q941-D945 PolarHBondContact NE2-OD2 2.96Å; Q941-D945 PolarHBondContact O-N 2.85Å
946D38Very low35.2Very low66 Ų66111 Ų11135%0.35357%0.571SS.*  trans-102.189.1-178.3-163.4-24.5000112D948 F949D946-D948 PolarHBondContact O-N 3.24Å; D946-D948 PolarHBondContact OD1-N 3.31Å; D946-F949 HydrophobicContact CB-CD2 4.19Å; D946-F949 PolarHBondContact O-N 2.75Å; D946-F949 WeakPolarHBondContact OD2-CD2 3.44Å
947E36.4Very low34.8Very low194 Ų194110.7 Ų110.791%0.90757%0.572SS**THydrogen-bonded Turntrans-66-13.2-179.9-66.1-167.3140.700114
948D35Very low34.5Very low159 Ų159104.9 Ų104.985%0.8555%0.548SS*.THydrogen-bonded Turntrans-84.4-12.1178.2-88.9-33.6000112.9D946 G950D946-D948 PolarHBondContact O-N 3.24Å; D946-D948 PolarHBondContact OD1-N 3.31Å; D948-G950 VanDerWaalsContact C-N 3.28Å; D948-G950 PolarHBondContact O-N 3.06Å
949F34.3Very low34.1Very low86 Ų86104.1 Ų104.138%0.37755%0.548SS..SBendtrans-74.179.1168.9-94.3-99.9000111D946 C951 P988D946-F949 HydrophobicContact CB-CD2 4.19Å; D946-F949 PolarHBondContact O-N 2.75Å; D946-F949 WeakPolarHBondContact OD2-CD2 3.44Å; F949-C951 PolarHBondContact O-N 3.31Å; F949-P988 HydrophobicContact CE1-CG 4.19Å
950G27.7Very low33.6Very low73 Ų73102 Ų10275%0.75355%0.547SS*.  trans-65.448.7-168.600000118.8D948D948-G950 VanDerWaalsContact C-N 3.28Å; D948-G950 PolarHBondContact O-N 3.06Å
951C28.4Very low33.3Very low62 Ų62102.1 Ų102.142%0.41955%0.55SS.*  trans-107.777.5176.7-133.40000111.1F949 Q953F949-C951 PolarHBondContact O-N 3.31Å; C951-Q953 PolarHBondContact O-N 3.27Å
952T26.2Very low32.8Very low142 Ų142101.3 Ų101.387%0.87155%0.549SS*.THydrogen-bonded Turntrans-72.227.1-176.248.90000115.1
953Q29.4Very low32.5Very low166 Ų166101.8 Ų101.878%0.77656%0.562SS**THydrogen-bonded Turntrans-138.336.9179.7-63.7-165.86.200113.6C951 N955C951-Q953 PolarHBondContact O-N 3.27Å; Q953-N955 PolarHBondContact O-N 2.8Å; Q953-N955 VanDerWaalsContact O-N 3.16Å
954V30.7Very low32Very low108 Ų108100.8 Ų100.866%0.65557%0.567SS**  trans-68.1110.2164.6-176.10000108.4I958V954-I958 HydrophobicContact CG1-CD1 3.81Å
955N26.8Very low31.7Very low76 Ų76100.1 Ų100.141%0.40657%0.574SS.*  trans-76.7130.1-165.8-170.91.1000111.7Q953 L957 I958Q953-N955 PolarHBondContact O-N 2.8Å; Q953-N955 VanDerWaalsContact O-N 3.16Å; N955-L957 PolarHBondContact O-N 2.92Å; N955-I958 WeakPolarHBondContact O-CG1 3.26Å; N955-I958 PolarHBondContact O-N 3.03Å
956P31.3Very low31.2Very low103 Ų103102.4 Ų102.467%0.66958%0.576SS**THydrogen-bonded Turntrans-59.7-2.9-177.3-28.536.6000117.8T959P956-T959 PolarHBondContact O-OG1 3.36Å
957L28.2Very low30.8Very low101 Ų101107 Ų10753%0.52960%0.601SS.*THydrogen-bonded Turntrans-71.9-28169.5-79.8151.6000112.9N955 T959 S960 D961N955-L957 PolarHBondContact O-N 2.92Å; L957-T959 PolarHBondContact O-N 3.28Å; L957-S960 PolarHBondContact O-N 3.46Å; L957-S960 PolarHBondContact O-OG 3.41Å; L957-D961 PolarHBondContact O-N 3.28Å
958I30.4Very low30.5Very low48 Ų48101.3 Ų101.325%0.24659%0.594CS.*Hα-helixtrans-64.6-32.2-176.5-57168.4000111V954 N955 L962 H985V954-I958 HydrophobicContact CG1-CD1 3.81Å; N955-I958 WeakPolarHBondContact O-CG1 3.26Å; N955-I958 PolarHBondContact O-N 3.03Å; I958-L962 WeakPolarHBondContact O-CD1 3.3Å; I958-L962 WeakPolarHBondContact O-CG 3.45Å; I958-H985 WeakPolarHBondContact CD1-NE2 3.32Å
959T32.5Very low30.2Very low87 Ų87101.4 Ų101.453%0.53459%0.594SS.*Hα-helixtrans-90.4-12.2-177.650.20000114.7P956 L957P956-T959 PolarHBondContact O-OG1 3.36Å; L957-T959 PolarHBondContact O-N 3.28Å
960S31.7Very low29.9Very low47 Ų47101 Ų10133%0.32960%0.601SS.*Hα-helixtrans-82.8-41.5173.150.90000112.4L957 S963 S964L957-S960 PolarHBondContact O-N 3.46Å; L957-S960 PolarHBondContact O-OG 3.41Å; S960-S963 PolarHBondContact O-N 3.31Å; S960-S963 VanDerWaalsContact O-N 3.12Å; S960-S963 PolarHBondContact O-OG 3.25Å; S960-S964 PolarHBondContact O-OG 3.2Å; S960-S964 VanDerWaalsContact O-OG 3.04Å
961D30.4Very low30.1Very low91 Ų91105.7 Ų105.749%0.48761%0.609SS.*Hα-helixtrans-81.7-25.7-163.3-65.213.2000111.8L957 S963L957-D961 PolarHBondContact O-N 3.28Å; D961-S963 PolarHBondContact O-N 3.39Å
962L30.5Very low30.3Very low85 Ų85109.4 Ų109.445%0.44563%0.625SS.*THydrogen-bonded Turntrans-65.9-20.4167.6-68.5172.1000113.5I958I958-L962 WeakPolarHBondContact O-CD1 3.3Å; I958-L962 WeakPolarHBondContact O-CG 3.45Å
963S34.1Very low30.5Very low93 Ų93105.2 Ų105.265%0.6560%0.601SS**THydrogen-bonded Turntrans-98.9-13.7-17176.20000115.3S960 D961S960-S963 PolarHBondContact O-N 3.31Å; S960-S963 VanDerWaalsContact O-N 3.12Å; S960-S963 PolarHBondContact O-OG 3.25Å; D961-S963 PolarHBondContact O-N 3.39Å
964S33.3Very low30.8Very low75 Ų75100.5 Ų100.552%0.52458%0.581SS.*SBendtrans-115.1-8.2-156.946.10000116.1S960S960-S964 PolarHBondContact O-OG 3.2Å; S960-S964 VanDerWaalsContact O-OG 3.04Å
965N31.3Very low30.9Very low130 Ų13099.3 Ų99.370%0.69557%0.567SS**  trans-1108.5-175.8-68.4-62.6000114.8D967N965-D967 PolarHBondContact O-N 2.57Å; N965-D967 VanDerWaalsContact O-N 3.15Å
966Y29.4Very low31.2Very low159 Ų159101.2 Ų101.262%0.62457%0.574SS**  trans-89.661.7-173-103.6-76.1000114.2G968 C973Y966-G968 PolarHBondContact O-N 3.38Å; Y966-C973 HydrophobicContact CE1-CB 4.15Å
967D29Very low31.5Very low162 Ų16299.1 Ų99.187%0.86656%0.562SS**  trans-84.855.1174.6-127.3-4.2000112.1N965 N969N965-D967 PolarHBondContact O-N 2.57Å; N965-D967 VanDerWaalsContact O-N 3.15Å; D967-N969 VanDerWaalsContact C-N 3.29Å; D967-N969 PolarHBondContact O-N 3.37Å
968G29.1Very low31.7Very low75 Ų7595.5 Ų95.577%0.77355%0.546SS*.SBendtrans57.12.2153.500000121.9Y966Y966-G968 PolarHBondContact O-N 3.38Å
969N28.8Very low32Very low160 Ų16094.9 Ų94.986%0.85654%0.543SS*.  trans-150.632.2-162-145.229.7000114.5D967D967-N969 VanDerWaalsContact C-N 3.29Å; D967-N969 PolarHBondContact O-N 3.37Å
970C29Very low32.2Very low77 Ų7795.2 Ų95.252%0.5254%0.539SS..  trans-137.8111.9-174.6-1710000111.8N972C970-N972 PolarHBondContact O-N 3.17Å
971D31.6Very low32.4Very low172 Ų17296.2 Ų96.292%0.9254%0.541SS*.THydrogen-bonded Turntrans-72.3-8.1174.7-55.6-56.6000112.9
972N31.8Very low32.6Very low140 Ų14094.8 Ų94.875%0.74954%0.535SS*.THydrogen-bonded Turntrans-102.927.8-178.7-69.3-5.5000113.4C970 N974C970-N972 PolarHBondContact O-N 3.17Å; N972-N974 VanDerWaalsContact C-N 3.29Å; N972-N974 PolarHBondContact O-N 3.02Å
973C31.8Very low32.8Very low54 Ų5492.9 Ų92.937%0.36553%0.525SS..  trans-72.287.1170.7-78.60000109.9Y966Y966-C973 HydrophobicContact CE1-CB 4.15Å
974N34.8Very low32.9Very low67 Ų6795.6 Ų95.636%0.35852%0.521SS..  trans-72.3131.3-148.8-166.5-3.4000115.7N972 E976 S977 A978N972-N974 VanDerWaalsContact C-N 3.29Å; N972-N974 PolarHBondContact O-N 3.02Å; N974-E976 PolarHBondContact ND2-OE2 3.27Å; N974-E976 WeakPolarHBondContact OD1-CB 3.21Å; N974-E976 WeakPolarHBondContact OD1-CG 3.4Å; N974-E976 PolarHBondContact OD1-N 3.04Å; N974-E976 PolarHBondContact OD1-OE2 3.33Å; N974-S977 PolarHBondContact O-N 3.35Å; N974-A978 PolarHBondContact O-N 3.05Å
975F33.2Very low33.1Very low84 Ų8495.7 Ų95.737%0.36851%0.513SS..Hα-helixtrans-62.8-41.7171173.2-129.4000112L933 S977 A978 L979L933-F975 HydrophobicContact CD1-CB 4.49Å; L933-F975 HydrophobicContact CD1-CD1 3.65Å; L933-F975 HydrophobicContact CD1-CD2 3.54Å; L933-F975 HydrophobicContact CD1-CE1 3.62Å; L933-F975 HydrophobicContact CD1-CE2 3.53Å; L933-F975 HydrophobicContact CD1-CG 3.61Å; L933-F975 HydrophobicContact CD1-CZ 3.56Å; L933-F975 HydrophobicContact CD2-CD2 3.83Å; L933-F975 HydrophobicContact CD2-CE2 3.27Å; L933-F975 HydrophobicContact CD2-CZ 3.75Å; L933-F975 HydrophobicContact CG-CD2 4.24Å; L933-F975 HydrophobicContact CG-CE2 4Å; L933-F975 HydrophobicContact CG-CZ 4.27Å; F975-S977 PolarHBondContact O-N 3.23Å; F975-S977 VanDerWaalsContact O-N 3.16Å; F975-A978 PolarHBondContact O-N 2.73Å; F975-L979 HydrophobicContact CD2-CB 4.46Å; F975-L979 HydrophobicContact CE1-CD2 4.05Å; F975-L979 HydrophobicContact CE2-CB 4.06Å; F975-L979 HydrophobicContact CE2-CD1 3.98Å; F975-L979 HydrophobicContact CE2-CD2 4.47Å; F975-L979 HydrophobicContact CE2-CG 4.39Å; F975-L979 HydrophobicContact CZ-CB 4.22Å; F975-L979 HydrophobicContact CZ-CD1 3.85Å; F975-L979 HydrophobicContact CZ-CD2 3.8Å; F975-L979 HydrophobicContact CZ-CG 4.17Å; F975-L979 WeakPolarHBondContact O-CB 3.11Å; F975-L979 PolarHBondContact O-N 2.99Å
976E33.2Very low33.2Very low115 Ų11597.2 Ų97.254%0.53752%0.516SS..Hα-helixtrans-53.3-39.6176.4-58.8173.4101.500111N974 L979 E980N974-E976 PolarHBondContact ND2-OE2 3.27Å; N974-E976 WeakPolarHBondContact OD1-CB 3.21Å; N974-E976 WeakPolarHBondContact OD1-CG 3.4Å; N974-E976 PolarHBondContact OD1-N 3.04Å; N974-E976 PolarHBondContact OD1-OE2 3.33Å; E976-L979 PolarHBondContact O-N 3.35Å; E976-E980 VanDerWaalsContact O-CB 3.26Å; E976-E980 WeakPolarHBondContact O-CB 3.32Å; E976-E980 WeakPolarHBondContact O-CG 3.44Å; E976-E980 PolarHBondContact O-N 2.69Å
977S36.8Very low33.8Very low60 Ų6090.6 Ų90.642%0.4249%0.491SS..Hα-helixtrans-75.5-23.7-178.1-59.50000113.8N974 F975 N981N974-S977 PolarHBondContact O-N 3.35Å; F975-S977 PolarHBondContact O-N 3.23Å; F975-S977 VanDerWaalsContact O-N 3.16Å; S977-N981 PolarHBondContact O-ND2 3.45Å
978A33.8Very low34.5Very low25 Ų2585.8 Ų85.821%0.20747%0.469CS..Hα-helixtrans-77.9-43.8168.200000110.5N974 F975 N981 V982N974-A978 PolarHBondContact O-N 3.05Å; F975-A978 PolarHBondContact O-N 2.73Å; A978-N981 PolarHBondContact O-N 2.78Å; A978-V982 PolarHBondContact O-N 2.7Å; A978-V982 VanDerWaalsContact O-N 3.17Å
979L35.1Very low35.2Very low35 Ų3587.5 Ų87.518%0.18346%0.464CS..Hα-helixtrans-67.6-42.6-178.6-161.668.9000111.9F975 E976 N981 V982 L983F975-L979 HydrophobicContact CD2-CB 4.46Å; F975-L979 HydrophobicContact CE1-CD2 4.05Å; F975-L979 HydrophobicContact CE2-CB 4.06Å; F975-L979 HydrophobicContact CE2-CD1 3.98Å; F975-L979 HydrophobicContact CE2-CD2 4.47Å; F975-L979 HydrophobicContact CE2-CG 4.39Å; F975-L979 HydrophobicContact CZ-CB 4.22Å; F975-L979 HydrophobicContact CZ-CD1 3.85Å; F975-L979 HydrophobicContact CZ-CD2 3.8Å; F975-L979 HydrophobicContact CZ-CG 4.17Å; F975-L979 WeakPolarHBondContact O-CB 3.11Å; F975-L979 PolarHBondContact O-N 2.99Å; E976-L979 PolarHBondContact O-N 3.35Å; L979-N981 VanDerWaalsContact C-N 3.28Å; L979-N981 PolarHBondContact O-N 2.71Å; L979-V982 CarbonylContact O-C 3.34Å; L979-V982 PolarHBondContact O-N 3.35Å; L979-V982 VanDerWaalsContact O-N 3.08Å; L979-L983 HydrophobicContact CD2-CD1 4.24Å; L979-L983 HydrophobicContact CG-CD1 3.88Å; L979-L983 HydrophobicContact CG-CG 4.29Å; L979-L983 WeakPolarHBondContact O-CB 3.38Å; L979-L983 VanDerWaalsContact O-CG 3.3Å; L979-L983 WeakPolarHBondContact O-CG 3.45Å; L979-L983 PolarHBondContact O-N 3.28Å
980E36.8Very low35.8Very low93 Ų9382.4 Ų82.444%0.43543%0.434SS..Hα-helixtrans-51.5-46.5171.4-90.6-144.7103.200111.7E976 V982 L983 R984E976-E980 VanDerWaalsContact O-CB 3.26Å; E976-E980 WeakPolarHBondContact O-CB 3.32Å; E976-E980 WeakPolarHBondContact O-CG 3.44Å; E976-E980 PolarHBondContact O-N 2.69Å; E980-V982 VanDerWaalsContact C-N 3.31Å; E980-V982 PolarHBondContact O-N 3.02Å; E980-L983 PolarHBondContact O-N 2.99Å; E980-R984 VanDerWaalsContact O-CB 3.3Å; E980-R984 WeakPolarHBondContact O-CB 3.17Å; E980-R984 VanDerWaalsContact O-CD 3.29Å; E980-R984 WeakPolarHBondContact O-CD 3.37Å; E980-R984 WeakPolarHBondContact O-CG 3.35Å; E980-R984 PolarHBondContact O-N 3.3Å; E980-R984 IonicContact OE1-CZ 2.7Å; E980-R984 IonicContact OE1-NE 3.84Å; E980-R984 IonicContact OE1-NH2 2.9Å; E980-R984 PolarHBondContact OE1-NH2 3.16Å; E980-R984 IonicContact OE2-CZ 3.78Å; E980-R984 IonicContact OE2-NH1 2.7Å; E980-R984 IonicContact OE2-NH2 2.85Å; E980-R984 PolarHBondContact OE2-NH2 3.17Å
981N36.3Very low36.5Very low69 Ų6980 Ų8037%0.36942%0.416SS..Hα-helixtrans-71.9-26.4-178.1-74.9-38.2000112.6S977 A978 L979 R984S977-N981 PolarHBondContact O-ND2 3.45Å; A978-N981 PolarHBondContact O-N 2.78Å; L979-N981 VanDerWaalsContact C-N 3.28Å; L979-N981 PolarHBondContact O-N 2.71Å; N981-R984 PolarHBondContact OD1-NH1 2.91Å
982V34.6Very low37.2Very low60 Ų6076.6 Ų76.636%0.36439%0.39SS..Hα-helixtrans-75.5-42170.3168.90000111.4A978 L979 E980 R984 H985 L987A978-V982 PolarHBondContact O-N 2.7Å; A978-V982 VanDerWaalsContact O-N 3.17Å; L979-V982 CarbonylContact O-C 3.34Å; L979-V982 PolarHBondContact O-N 3.35Å; L979-V982 VanDerWaalsContact O-N 3.08Å; E980-V982 VanDerWaalsContact C-N 3.31Å; E980-V982 PolarHBondContact O-N 3.02Å; V982-R984 PolarHBondContact O-N 2.85Å; V982-H985 PolarHBondContact O-N 3.05Å; V982-L987 HydrophobicContact CG1-CD1 4.04Å
983L35.6Very low37.7Very low46 Ų4676.4 Ų76.424%0.24138%0.379CS..Hα-helixtrans-70.3-25.9178.8-73169.5000113.9L979 E980 H985 L987 I995L979-L983 HydrophobicContact CD2-CD1 4.24Å; L979-L983 HydrophobicContact CG-CD1 3.88Å; L979-L983 HydrophobicContact CG-CG 4.29Å; L979-L983 WeakPolarHBondContact O-CB 3.38Å; L979-L983 VanDerWaalsContact O-CG 3.3Å; L979-L983 WeakPolarHBondContact O-CG 3.45Å; L979-L983 PolarHBondContact O-N 3.28Å; E980-L983 PolarHBondContact O-N 2.99Å; L983-H985 VanDerWaalsContact C-N 3.26Å; L983-H985 PolarHBondContact O-N 3.21Å; L983-L987 HydrophobicContact CD2-CD1 4.16Å; L983-I995 HydrophobicContact CD2-CD1 4.2Å; L983-I995 HydrophobicContact CD2-CG2 4.26Å
984R36Very low38.3Very low149 Ų14974.5 Ų74.556%0.56236%0.364SS*.THydrogen-bonded Turntrans-71.1-14.7176.5-79163.4-175.7172.9-1114.1E980 N981 V982E980-R984 VanDerWaalsContact O-CB 3.3Å; E980-R984 WeakPolarHBondContact O-CB 3.17Å; E980-R984 VanDerWaalsContact O-CD 3.29Å; E980-R984 WeakPolarHBondContact O-CD 3.37Å; E980-R984 WeakPolarHBondContact O-CG 3.35Å; E980-R984 PolarHBondContact O-N 3.3Å; E980-R984 IonicContact OE1-CZ 2.7Å; E980-R984 IonicContact OE1-NE 3.84Å; E980-R984 IonicContact OE1-NH2 2.9Å; E980-R984 PolarHBondContact OE1-NH2 3.16Å; E980-R984 IonicContact OE2-CZ 3.78Å; E980-R984 IonicContact OE2-NH1 2.7Å; E980-R984 IonicContact OE2-NH2 2.85Å; E980-R984 PolarHBondContact OE2-NH2 3.17Å; N981-R984 PolarHBondContact OD1-NH1 2.91Å; V982-R984 PolarHBondContact O-N 2.85Å
985H37.2Very low38.8Very low78 Ų7872.7 Ų72.736%0.36136%0.355SS..SBendtrans-99.5169.6175-78-79.9000112.2I958 V982 L983 L987I958-H985 WeakPolarHBondContact CD1-NE2 3.32Å; V982-H985 PolarHBondContact O-N 3.05Å; L983-H985 VanDerWaalsContact C-N 3.26Å; L983-H985 PolarHBondContact O-N 3.21Å; H985-L987 PolarHBondContact O-N 3.3Å
986E34Very low39.2Very low162 Ų16272 Ų7276%0.75736%0.359SS*.  trans-77.359.9-166.5-64.7-162.7130.500114.5
987L41.8Very low39.5Very low20 Ų2070.7 Ų70.711%0.10536%0.355CS..  trans-58.2134.1172.1-70.1175.9000111.5V982 L983 H985 L991 R992 I995V982-L987 HydrophobicContact CG1-CD1 4.04Å; L983-L987 HydrophobicContact CD2-CD1 4.16Å; H985-L987 PolarHBondContact O-N 3.3Å; L987-L991 HydrophobicContact CD2-CD2 4.01Å; L987-R992 PolarHBondContact O-NE 3.15Å; L987-R992 PolarHBondContact O-NH2 2.83Å; L987-I995 HydrophobicContact CD1-CD1 4.11Å
988P43.9Very low39.7Very low60 Ų6071.2 Ų71.239%0.3935%0.349SS..  trans-53.9145.2174.3-27.435.3000112.3F949 K990 L991 R992F949-P988 HydrophobicContact CE1-CG 4.19Å; P988-K990 PolarHBondContact O-N 2.9Å; P988-L991 PolarHBondContact O-N 3.22Å; P988-R992 PolarHBondContact O-N 3.29Å; P988-R992 VanDerWaalsContact O-N 3.1Å
989V42.4Very low39.6Very low112 Ų11274.2 Ų74.268%0.67936%0.359SS*.Hα-helixtrans-53.4-24.3-178-179.30000113R993V989-R993 WeakPolarHBondContact O-CB 3.45Å; V989-R993 PolarHBondContact O-N 3.17Å
990K41.8Very low39.9Very low52 Ų5276.2 Ų76.223%0.22637%0.367CS..Hα-helixtrans-71-47.8175.7-64.7171.8-178.4-177.40113.1C914 S915 L917 P988 R992 R993 F994C914-K990 PolarHBondContact O-NZ 2.72Å; S915-K990 PolarHBondContact O-NZ 3.4Å; L917-K990 HydrophobicContact CB-CD 4.42Å; L917-K990 WeakPolarHBondContact O-CE 3.45Å; L917-K990 PolarHBondContact O-NZ 3.44Å; P988-K990 PolarHBondContact O-N 2.9Å; K990-R992 VanDerWaalsContact C-N 3.32Å; K990-R993 PolarHBondContact O-N 3.22Å; K990-F994 PolarHBondContact O-N 3.23Å
991L44.5Very low40Very low27 Ų2775.3 Ų75.314%0.14136%0.364CS..Hα-helixtrans-65.5-41.1174.9-120.874.6000110L908 L987 P988 R993 F994 I995L908-L991 HydrophobicContact CD2-CD1 4.45Å; L987-L991 HydrophobicContact CD2-CD2 4.01Å; P988-L991 PolarHBondContact O-N 3.22Å; L991-R993 VanDerWaalsContact C-N 3.33Å; L991-R993 PolarHBondContact O-N 3.41Å; L991-F994 PolarHBondContact O-N 3.18Å; L991-F994 VanDerWaalsContact O-N 3.07Å; L991-I995 VanDerWaalsContact O-CG1 3.3Å; L991-I995 WeakPolarHBondContact O-CG1 3.17Å; L991-I995 PolarHBondContact O-N 2.93Å
992R45.2Very low40.2Very low101 Ų10175.6 Ų75.638%0.38136%0.363SS..Hα-helixtrans-60.5-38.5173.8-111.6-179-78.5-140.7-0.2113.1L987 P988 K990 C996L987-R992 PolarHBondContact O-NE 3.15Å; L987-R992 PolarHBondContact O-NH2 2.83Å; P988-R992 PolarHBondContact O-N 3.29Å; P988-R992 VanDerWaalsContact O-N 3.1Å; K990-R992 VanDerWaalsContact C-N 3.32Å; R992-C996 WeakPolarHBondContact O-CB 3.16Å; R992-C996 PolarHBondContact O-N 3.12Å; R992-C996 PolarHBondContact O-SG 3.41Å
993R43.3Very low40.6Very low136 Ų13676.5 Ų76.551%0.51336%0.363SS..Hα-helixtrans-69.2-30.5171.4-98.5-176.2169.2159.8-4114.2V989 K990 L991 L997V989-R993 WeakPolarHBondContact O-CB 3.45Å; V989-R993 PolarHBondContact O-N 3.17Å; K990-R993 PolarHBondContact O-N 3.22Å; L991-R993 VanDerWaalsContact C-N 3.33Å; L991-R993 PolarHBondContact O-N 3.41Å; R993-L997 WeakPolarHBondContact O-CB 3.49Å; R993-L997 VanDerWaalsContact O-CD1 3.32Å; R993-L997 WeakPolarHBondContact O-CD1 3.06Å; R993-L997 WeakPolarHBondContact O-CG 3.44Å; R993-L997 PolarHBondContact O-N 2.87Å
994F44.1Very low40.9Very low13 Ų1378.4 Ų78.46%0.05737%0.371CS..Hα-helixtrans-78.1-34.1178.4-170.4-103.7000111.9V904 F907 L908 L911 L922 K990 L991 L997 Y998V904-F994 HydrophobicContact CG1-CE1 3.98Å; V904-F994 HydrophobicContact CG1-CZ 3.89Å; F907-F994 HydrophobicContact CD1-CD2 4.1Å; F907-F994 AromaticContact CD1-CE2 3.48Å; F907-F994 HydrophobicContact CD1-CE2 3.48Å; F907-F994 VanDerWaalsContact CD1-CE2 3.48Å; F907-F994 AromaticContact CD1-CZ 3.95Å; F907-F994 HydrophobicContact CD1-CZ 3.95Å; F907-F994 AromaticContact CE1-CD2 3.7Å; F907-F994 HydrophobicContact CE1-CD2 3.7Å; F907-F994 AromaticContact CE1-CE2 3.45Å; F907-F994 HydrophobicContact CE1-CE2 3.45Å; F907-F994 VanDerWaalsContact CE1-CE2 3.45Å; F907-F994 HydrophobicContact CE1-CZ 4.36Å; L908-F994 HydrophobicContact CD1-CE1 4.33Å; L908-F994 HydrophobicContact CD2-CD1 3.69Å; L908-F994 HydrophobicContact CD2-CE1 3.83Å; L908-F994 HydrophobicContact CD2-CG 4.43Å; L908-F994 HydrophobicContact CG-CD1 4.46Å; L908-F994 HydrophobicContact CG-CE1 4.1Å; L911-F994 HydrophobicContact CD1-CD2 4.33Å; L911-F994 HydrophobicContact CD1-CG 4.48Å; L922-F994 HydrophobicContact CD1-CD2 4.18Å; L922-F994 HydrophobicContact CD1-CE2 4.35Å; K990-F994 PolarHBondContact O-N 3.23Å; L991-F994 PolarHBondContact O-N 3.18Å; L991-F994 VanDerWaalsContact O-N 3.07Å; F994-L997 CarbonylContact O-C 3.57Å; F994-L997 PolarHBondContact O-N 3.36Å; F994-Y998 WeakPolarHBondContact O-CB 3.45Å
995I45.4Very low41.2Very low30 Ų3073.7 Ų73.715%0.15436%0.358CS..Hα-helixtrans-72.6-44.2174.3-63162.6000110.1L983 L987 L991 L997 Y998 E999L983-I995 HydrophobicContact CD2-CD1 4.2Å; L983-I995 HydrophobicContact CD2-CG2 4.26Å; L987-I995 HydrophobicContact CD1-CD1 4.11Å; L991-I995 VanDerWaalsContact O-CG1 3.3Å; L991-I995 WeakPolarHBondContact O-CG1 3.17Å; L991-I995 PolarHBondContact O-N 2.93Å; I995-L997 PolarHBondContact O-N 2.84Å; I995-Y998 WeakPolarHBondContact O-CB 3.41Å; I995-Y998 PolarHBondContact O-N 3.23Å; I995-Y998 VanDerWaalsContact O-N 3.11Å; I995-E999 HydrophobicContact CG2-CG 4.35Å; I995-E999 WeakPolarHBondContact O-CB 3.36Å; I995-E999 PolarHBondContact O-N 2.94Å
996C41.6Very low41.5Very low69 Ų6973.4 Ų73.447%0.46636%0.358SS..THydrogen-bonded Turntrans-79.429171.1-52.70000114.2R992 E999R992-C996 WeakPolarHBondContact O-CB 3.16Å; R992-C996 PolarHBondContact O-N 3.12Å; R992-C996 PolarHBondContact O-SG 3.41Å; C996-E999 PolarHBondContact SG-OE2 2.77Å
997L39.8Very low42.1Very low87 Ų8766.6 Ų66.646%0.45533%0.327SS..THydrogen-bonded Turntrans-14131.7166.4-74.2172.9000108.6L922 R993 F994 I995 E999L922-L997 HydrophobicContact CB-CD1 4.24Å; L922-L997 HydrophobicContact CD1-CD1 3.87Å; L922-L997 HydrophobicContact CG-CD1 4.27Å; R993-L997 WeakPolarHBondContact O-CB 3.49Å; R993-L997 VanDerWaalsContact O-CD1 3.32Å; R993-L997 WeakPolarHBondContact O-CD1 3.06Å; R993-L997 WeakPolarHBondContact O-CG 3.44Å; R993-L997 PolarHBondContact O-N 2.87Å; F994-L997 CarbonylContact O-C 3.57Å; F994-L997 PolarHBondContact O-N 3.36Å; I995-L997 PolarHBondContact O-N 2.84Å; L997-E999 WeakPolarHBondContact CA-OXT 3.14Å; L997-E999 PolarHBondContact N-OXT 3.1Å
998Y40.9Very low42.1Very low71 Ų7170.5 Ų70.528%0.27835%0.346SS..THydrogen-bonded Turntrans-152-40.2-176.7-174.9-81000108.8I927 F931 F994 I995I927-Y998 HydrophobicContact CD1-CD2 3.92Å; I927-Y998 HydrophobicContact CG2-CE2 4.47Å; F931-Y998 HydrophobicContact CB-CE2 4.1Å; F931-Y998 WeakPolarHBondContact CB-OH 3.39Å; F931-Y998 HydrophobicContact CG-CE2 4.48Å; F994-Y998 WeakPolarHBondContact O-CB 3.45Å; I995-Y998 WeakPolarHBondContact O-CB 3.41Å; I995-Y998 PolarHBondContact O-N 3.23Å; I995-Y998 VanDerWaalsContact O-N 3.11Å
999E32.1Very low41.9Very low88 Ų8871.5 Ų71.541%0.41134%0.342SS..  trans-60.40131.6-53.5163.1-177.300109.6E587 I995 C996 L997E587-E999 HydrophobicContact CG-CG 4.46Å; I995-E999 HydrophobicContact CG2-CG 4.35Å; I995-E999 WeakPolarHBondContact O-CB 3.36Å; I995-E999 PolarHBondContact O-N 2.94Å; C996-E999 PolarHBondContact SG-OE2 2.77Å; L997-E999 WeakPolarHBondContact CA-OXT 3.14Å; L997-E999 PolarHBondContact N-OXT 3.1Å

Retrieved 999 of 999 residues in 217.2 ms (Link to these results)

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