A0A077ZL21_TRITR Loading...

KicB and MukE and Methyltransf 31 domain containi ng protein

AlphaFold DB , UniProt , Accession A0A077ZL21, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 848 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
1M55.6Low76.1Confident187 Ų18774.1 Ų74.192%0.92136%0.36SS*.  0132.70-76.7171.9-166.700106.5A126 Y184M1-A126 HydrophobicContact CB-CB 3.52Å; M1-Y184 WeakPolarHBondContact CG-OH 3.41Å; M1-Y184 HydrophobicContact SD-CE1 3.85Å; M1-Y184 PolarHBondContact SD-OH 2.64Å
2Q71.2Confident75.5Confident177 Ų17776.8 Ų76.883%0.82737%0.368SS*.  trans-106.2151.2174.7-78.1178.2-13.400108.4
3D82.6Confident75Confident43 Ų4373.4 Ų73.423%0.2335%0.351CS..PPolyproline II helixtrans-68.6152.6172.7-63-11.6000110.2N5 L74 Q103 V125 A126D3-N5 PolarHBondContact O-N 3.33Å; D3-L74 HydrophobicContact CB-CD2 4.02Å; D3-Q103 PolarHBondContact OD2-NE2 2.89Å; D3-V125 WeakPolarHBondContact OD1-CA 3.12Å; D3-A126 WeakPolarHBondContact OD1-CB 3.33Å; D3-A126 PolarHBondContact OD1-N 3.07Å
4R82.8Confident74.5Confident57 Ų5771 Ų7122%0.21535%0.346CS..PPolyproline II helixtrans-78.1116.4179.5-179.169.8-174.8168.49.3110.6F6 D8 W124R4-F6 HydrophobicContact CB-CE2 4.05Å; R4-F6 HydrophobicContact CG-CD2 3.9Å; R4-F6 HydrophobicContact CG-CE2 3.48Å; R4-F6 VanDerWaalsContact CG-CE2 3.48Å; R4-F6 HydrophobicContact CG-CZ 4.23Å; R4-D8 IonicContact CZ-OD1 3.92Å; R4-D8 IonicContact CZ-OD2 3.98Å; R4-D8 IonicContact NH2-OD1 3.49Å; R4-D8 PolarHBondContact NH2-OD1 3.03Å; R4-D8 IonicContact NH2-OD2 3.13Å; R4-D8 PolarHBondContact NH2-OD2 2.94Å; R4-W124 HydrophobicContact CB-CB 4.15Å; R4-W124 HydrophobicContact CB-CD2 4.39Å; R4-W124 HydrophobicContact CB-CE3 3.73Å; R4-W124 HydrophobicContact CG-CE3 3.75Å; R4-W124 HydrophobicContact CG-CZ3 4.09Å; R4-W124 PolarHBondContact N-O 2.74Å
5N84.3Confident74.1Confident56 Ų5679.3 Ų79.330%0.29937%0.372SS..PPolyproline II helixtrans-85.7139.4164.3-174.8-15.8000110D3 D7 L74 S75D3-N5 PolarHBondContact O-N 3.33Å; N5-D7 PolarHBondContact ND2-OD2 3.13Å; N5-D7 PolarHBondContact OD1-N 3.11Å; N5-D7 PolarHBondContact OD1-OD1 2.95Å; N5-D7 PolarHBondContact OD1-OD2 2.8Å; N5-L74 HydrophobicContact CB-CD2 4.12Å; N5-L74 HydrophobicContact CB-CG 4.32Å; N5-S75 WeakPolarHBondContact OD1-CB 3.26Å
6F82Confident73.7Confident19 Ų1979.4 Ų79.48%0.08338%0.376CS..  trans-101.54.7-174.4-82.1-114.5000114.7R4 D8 I9 A10 F13 M78 W124R4-F6 HydrophobicContact CB-CE2 4.05Å; R4-F6 HydrophobicContact CG-CD2 3.9Å; R4-F6 HydrophobicContact CG-CE2 3.48Å; R4-F6 VanDerWaalsContact CG-CE2 3.48Å; R4-F6 HydrophobicContact CG-CZ 4.23Å; F6-D8 PolarHBondContact O-N 3.26Å; F6-I9 HydrophobicContact CB-CG1 4.24Å; F6-I9 HydrophobicContact CD1-CD1 3.51Å; F6-I9 HydrophobicContact CD1-CG1 3.73Å; F6-I9 HydrophobicContact CE1-CD1 3.67Å; F6-I9 HydrophobicContact CE1-CG1 4.39Å; F6-I9 HydrophobicContact CG-CD1 4.15Å; F6-I9 HydrophobicContact CG-CG1 4.18Å; F6-I9 HydrophobicContact CZ-CD1 4.41Å; F6-I9 PolarHBondContact O-N 2.75Å; F6-A10 PolarHBondContact O-N 3.45Å; F6-F13 AromaticContact CD1-CD2 3.86Å; F6-F13 HydrophobicContact CD1-CD2 3.86Å; F6-F13 HydrophobicContact CD1-CE2 4.29Å; F6-F13 HydrophobicContact CD1-CG 4.42Å; F6-F13 AromaticContact CE1-CD2 3.57Å; F6-F13 HydrophobicContact CE1-CD2 3.57Å; F6-F13 AromaticContact CE1-CE2 3.72Å; F6-F13 HydrophobicContact CE1-CE2 3.72Å; F6-M78 HydrophobicContact CB-CE 3.81Å; F6-M78 HydrophobicContact CD1-CE 4.19Å; F6-M78 HydrophobicContact CG-CE 4.37Å; F6-W124 HydrophobicContact CE1-CZ2 4.45Å; F6-W124 AromaticContact CE2-CD2 3.9Å; F6-W124 HydrophobicContact CE2-CD2 3.9Å; F6-W124 HydrophobicContact CE2-CE3 4.17Å; F6-W124 HydrophobicContact CE2-CG 4.11Å; F6-W124 AromaticContact CZ-CD2 3.74Å; F6-W124 HydrophobicContact CZ-CD2 3.74Å; F6-W124 AromaticContact CZ-CE2 3.54Å; F6-W124 HydrophobicContact CZ-CE3 4.06Å; F6-W124 HydrophobicContact CZ-CG 4.27Å; F6-W124 AromaticContact CZ-CH2 3.94Å; F6-W124 HydrophobicContact CZ-CH2 3.94Å; F6-W124 AromaticContact CZ-CZ2 3.68Å; F6-W124 HydrophobicContact CZ-CZ2 3.68Å; F6-W124 HydrophobicContact CZ-CZ3 4.13Å; F6-W124 AromaticContact CZ-NE1 3.95Å
7D83.5Confident73.4Confident48 Ų4876.6 Ų76.626%0.25736%0.364SS..THydrogen-bonded Turntrans-54.2-25.2178.1-68.9-25.9000113.3N5 S75 A76 Q77N5-D7 PolarHBondContact ND2-OD2 3.13Å; N5-D7 PolarHBondContact OD1-N 3.11Å; N5-D7 PolarHBondContact OD1-OD1 2.95Å; N5-D7 PolarHBondContact OD1-OD2 2.8Å; D7-S75 WeakPolarHBondContact OD1-CA 3.4Å; D7-S75 WeakPolarHBondContact OD1-CB 3.49Å; D7-S75 PolarHBondContact OD1-OG 3.46Å; D7-A76 PolarHBondContact OD1-N 3.34Å; D7-A76 VanDerWaalsContact OD1-N 3.14Å; D7-Q77 HydrophobicContact CB-CG 4.38Å; D7-Q77 PolarHBondContact O-NE2 2.82Å; D7-Q77 PolarHBondContact O-OE1 3.19Å; D7-Q77 VanDerWaalsContact O-OE1 3.11Å; D7-Q77 PolarHBondContact OD1-N 3.43Å; D7-Q77 VanDerWaalsContact OD1-N 3.13Å
8D80Confident73.2Confident79 Ų7975.8 Ų75.842%0.42236%0.357SS..THydrogen-bonded Turntrans-87.7-7.3179.871.1-28.3000114.9R4 F6R4-D8 IonicContact CZ-OD1 3.92Å; R4-D8 IonicContact CZ-OD2 3.98Å; R4-D8 IonicContact NH2-OD1 3.49Å; R4-D8 PolarHBondContact NH2-OD1 3.03Å; R4-D8 IonicContact NH2-OD2 3.13Å; R4-D8 PolarHBondContact NH2-OD2 2.94Å; F6-D8 PolarHBondContact O-N 3.26Å
9I75.4Confident73.1Confident11 Ų1175.1 Ų75.16%0.05637%0.372CS..THydrogen-bonded Turntrans-139.75.5-172.357.8173.8000114.8F6 E11 K12 F13 L180F6-I9 HydrophobicContact CB-CG1 4.24Å; F6-I9 HydrophobicContact CD1-CD1 3.51Å; F6-I9 HydrophobicContact CD1-CG1 3.73Å; F6-I9 HydrophobicContact CE1-CD1 3.67Å; F6-I9 HydrophobicContact CE1-CG1 4.39Å; F6-I9 HydrophobicContact CG-CD1 4.15Å; F6-I9 HydrophobicContact CG-CG1 4.18Å; F6-I9 HydrophobicContact CZ-CD1 4.41Å; F6-I9 PolarHBondContact O-N 2.75Å; I9-E11 VanDerWaalsContact C-N 3.29Å; I9-E11 PolarHBondContact O-N 3.17Å; I9-K12 PolarHBondContact O-N 3.13Å; I9-F13 PolarHBondContact O-N 3.12Å; I9-L180 HydrophobicContact CD1-CD2 4.28Å
10A69.4Low73.2Confident1 Ų174 Ų741%0.00837%0.369CS..Hα-helixtrans-51.8-43.5-174.700000113.4F6 K12 F13 S14 Q77 M78 R81F6-A10 PolarHBondContact O-N 3.45Å; A10-K12 PolarHBondContact O-N 3.12Å; A10-F13 WeakPolarHBondContact O-CB 3.48Å; A10-F13 PolarHBondContact O-N 3.43Å; A10-S14 PolarHBondContact O-N 3.43Å; A10-Q77 HydrophobicContact CB-CB 4.32Å; A10-M78 HydrophobicContact CB-CE 3.85Å; A10-M78 HydrophobicContact CB-SD 4.27Å; A10-R81 PolarHBondContact O-NH1 3.04Å
11E69.8Low73.2Confident137 Ų13776 Ų7664%0.6439%0.386SS*.Hα-helixtrans-64.4-41.1178.1-159.2176.8-173.100113.2I9 F13 R15I9-E11 VanDerWaalsContact C-N 3.29Å; I9-E11 PolarHBondContact O-N 3.17Å; E11-F13 VanDerWaalsContact C-N 3.34Å; E11-R15 PolarHBondContact O-N 2.93Å
12K69.4Low73.9Confident106 Ų10674.3 Ų74.346%0.46137%0.373SS..Hα-helixtrans-69.9-32.7176.9-171177.5-179.9179.90111.9I9 A10 N16I9-K12 PolarHBondContact O-N 3.13Å; A10-K12 PolarHBondContact O-N 3.12Å; K12-N16 WeakPolarHBondContact CG-ND2 3.36Å; K12-N16 WeakPolarHBondContact O-CB 3.26Å; K12-N16 PolarHBondContact O-N 3.23Å; K12-N16 PolarHBondContact O-ND2 2.94Å
13F68.7Low73.9Confident33 Ų3366 Ų6615%0.14534%0.335CS..Hα-helixtrans-64.5-50.9177.8-171.9-90.7000111.2F6 I9 A10 E11 R15 N16 I17 Y18 M78 L180F6-F13 AromaticContact CD1-CD2 3.86Å; F6-F13 HydrophobicContact CD1-CD2 3.86Å; F6-F13 HydrophobicContact CD1-CE2 4.29Å; F6-F13 HydrophobicContact CD1-CG 4.42Å; F6-F13 AromaticContact CE1-CD2 3.57Å; F6-F13 HydrophobicContact CE1-CD2 3.57Å; F6-F13 AromaticContact CE1-CE2 3.72Å; F6-F13 HydrophobicContact CE1-CE2 3.72Å; I9-F13 PolarHBondContact O-N 3.12Å; A10-F13 WeakPolarHBondContact O-CB 3.48Å; A10-F13 PolarHBondContact O-N 3.43Å; E11-F13 VanDerWaalsContact C-N 3.34Å; F13-R15 PolarHBondContact O-N 3.12Å; F13-N16 PolarHBondContact O-N 3.46Å; F13-I17 HydrophobicContact CD1-CG1 4.49Å; F13-I17 HydrophobicContact CD2-CG1 3.99Å; F13-I17 HydrophobicContact CE1-CB 4.42Å; F13-I17 HydrophobicContact CE1-CG1 4.47Å; F13-I17 HydrophobicContact CE2-CG1 3.96Å; F13-I17 HydrophobicContact CG-CG1 4.25Å; F13-I17 HydrophobicContact CZ-CB 4.47Å; F13-I17 HydrophobicContact CZ-CG1 4.21Å; F13-I17 HydrophobicContact CZ-CG2 4.34Å; F13-I17 WeakPolarHBondContact O-CB 3.39Å; F13-I17 WeakPolarHBondContact O-CG1 2.97Å; F13-I17 PolarHBondContact O-N 3.27Å; F13-Y18 HydrophobicContact CD1-CE2 4.44Å; F13-Y18 HydrophobicContact CE1-CD2 4.41Å; F13-Y18 AromaticContact CE1-CE2 3.73Å; F13-Y18 HydrophobicContact CE1-CE2 3.73Å; F13-M78 HydrophobicContact CB-CE 4.21Å; F13-M78 HydrophobicContact CD1-CE 4.09Å; F13-M78 HydrophobicContact CG-CE 4.18Å; F13-L180 HydrophobicContact CB-CD2 4.33Å; F13-L180 HydrophobicContact CD2-CD2 3.6Å; F13-L180 HydrophobicContact CE2-CD2 4.43Å; F13-L180 HydrophobicContact CG-CD2 4.42Å
14S67.7Low73.7Confident40 Ų4070 Ų7028%0.2835%0.352SS..Hα-helixtrans-57-51.4-178.4-160.90000112.5A10 N16 G19 E55A10-S14 PolarHBondContact O-N 3.43Å; S14-N16 PolarHBondContact O-N 3.49Å; S14-G19 PolarHBondContact O-N 3Å; S14-E55 VanDerWaalsContact CB-OE1 3.3Å; S14-E55 WeakPolarHBondContact CB-OE1 3.31Å; S14-E55 WeakPolarHBondContact CB-OE2 3.11Å; S14-E55 PolarHBondContact OG-OE1 2.76Å; S14-E55 PolarHBondContact OG-OE2 3.37Å
15R68.8Low73.2Confident195 Ų19572.5 Ų72.574%0.73637%0.369SS*.Hα-helixtrans-60.2-41.4180-92-177.5168.8170-2.5113.4E11 F13E11-R15 PolarHBondContact O-N 2.93Å; F13-R15 PolarHBondContact O-N 3.12Å
16N68.7Low73Confident81 Ų8173.9 Ų73.943%0.43337%0.37SS..Hα-helixtrans-96.9-20.3-167.4-66.7-53.3000114.5K12 F13 S14 T20 L180K12-N16 WeakPolarHBondContact CG-ND2 3.36Å; K12-N16 WeakPolarHBondContact O-CB 3.26Å; K12-N16 PolarHBondContact O-N 3.23Å; K12-N16 PolarHBondContact O-ND2 2.94Å; F13-N16 PolarHBondContact O-N 3.46Å; S14-N16 PolarHBondContact O-N 3.49Å; N16-T20 VanDerWaalsContact O-CG2 3.28Å; N16-T20 WeakPolarHBondContact O-CG2 3.41Å; N16-L180 HydrophobicContact CB-CD1 3.96Å
17I67.6Low73Confident33 Ų3374.8 Ų74.817%0.16938%0.375CS..Hα-helixtrans-97.4-56.6-176.7-59-59.3000111.1F13 T20 G23 L180F13-I17 HydrophobicContact CD1-CG1 4.49Å; F13-I17 HydrophobicContact CD2-CG1 3.99Å; F13-I17 HydrophobicContact CE1-CB 4.42Å; F13-I17 HydrophobicContact CE1-CG1 4.47Å; F13-I17 HydrophobicContact CE2-CG1 3.96Å; F13-I17 HydrophobicContact CG-CG1 4.25Å; F13-I17 HydrophobicContact CZ-CB 4.47Å; F13-I17 HydrophobicContact CZ-CG1 4.21Å; F13-I17 HydrophobicContact CZ-CG2 4.34Å; F13-I17 WeakPolarHBondContact O-CB 3.39Å; F13-I17 WeakPolarHBondContact O-CG1 2.97Å; F13-I17 PolarHBondContact O-N 3.27Å; I17-T20 PolarHBondContact O-OG1 3.29Å; I17-G23 WeakPolarHBondContact O-CA 3.32Å; I17-L180 HydrophobicContact CD1-CD1 4.14Å; I17-L180 HydrophobicContact CG1-CD1 4.34Å
18Y70.5Confident72.9Confident62 Ų6275.3 Ų75.324%0.24339%0.386CS..THydrogen-bonded Turntrans-92.5-27.7-175-62.2-62.2000113.7F13 T20 Q27 Q57F13-Y18 HydrophobicContact CD1-CE2 4.44Å; F13-Y18 HydrophobicContact CE1-CD2 4.41Å; F13-Y18 AromaticContact CE1-CE2 3.73Å; F13-Y18 HydrophobicContact CE1-CE2 3.73Å; Y18-T20 PolarHBondContact O-N 2.98Å; Y18-Q27 HydrophobicContact CD1-CG 4.5Å; Y18-Q57 HydrophobicContact CD2-CG 4.4Å; Y18-Q57 VanDerWaalsContact CE2-CD 3.46Å; Y18-Q57 HydrophobicContact CE2-CG 4.44Å; Y18-Q57 VanDerWaalsContact CE2-OE1 3.28Å
19G70.3Confident72.9Confident62 Ų6275.7 Ų75.764%0.63939%0.387SS*.SBendtrans-73.73178.400000115.7S14S14-G19 PolarHBondContact O-N 3Å
20T76Confident73.4Confident52 Ų5275.9 Ų75.932%0.31939%0.388SS..SBendtrans-107.5156.2-177.567.90000111.5N16 I17 Y18 K22 G23 Q24N16-T20 VanDerWaalsContact O-CG2 3.28Å; N16-T20 WeakPolarHBondContact O-CG2 3.41Å; I17-T20 PolarHBondContact O-OG1 3.29Å; Y18-T20 PolarHBondContact O-N 2.98Å; T20-K22 PolarHBondContact O-N 2.88Å; T20-G23 WeakPolarHBondContact O-CA 3.34Å; T20-G23 PolarHBondContact O-N 3.44Å; T20-G23 PolarHBondContact OG1-N 3.47Å; T20-Q24 PolarHBondContact O-N 3.41Å
21T72.4Confident74.4Confident116 Ų11676.5 Ų76.571%0.71239%0.39SS*.Hα-helixtrans-55.6-35.1174.2-40.10000112G23 Q24 L25T21-G23 VanDerWaalsContact C-N 3.35Å; T21-Q24 PolarHBondContact O-N 3.28Å; T21-L25 PolarHBondContact O-N 3.45Å
22K70.3Confident75.1Confident153 Ų15376 Ų7667%0.66539%0.388SS*.Hα-helixtrans-63.8-38.9173.7-176.2177.5-179.7175.90112.2T20 R26T20-K22 PolarHBondContact O-N 2.88Å; K22-R26 WeakPolarHBondContact O-CB 3.46Å; K22-R26 PolarHBondContact O-N 2.98Å; K22-R26 VanDerWaalsContact O-N 3.09Å
23G72.4Confident75.7Confident2 Ų274.9 Ų74.92%0.02139%0.387CS..Hα-helixtrans-64.2-44.8174.300000112.7I17 T20 T21 R26 Q27I17-G23 WeakPolarHBondContact O-CA 3.32Å; T20-G23 WeakPolarHBondContact O-CA 3.34Å; T20-G23 PolarHBondContact O-N 3.44Å; T20-G23 PolarHBondContact OG1-N 3.47Å; T21-G23 VanDerWaalsContact C-N 3.35Å; G23-R26 PolarHBondContact O-N 3.28Å; G23-Q27 PolarHBondContact O-N 2.92Å
24Q77.1Confident76.7Confident126 Ų12673.3 Ų73.359%0.58938%0.38SS*.Hα-helixtrans-61.9-46.5176.5-67.7174.4-17.100112.1T20 T21 R26 Q27 A28T20-Q24 PolarHBondContact O-N 3.41Å; T21-Q24 PolarHBondContact O-N 3.28Å; Q24-R26 VanDerWaalsContact C-N 3.33Å; Q24-R26 PolarHBondContact O-N 3.16Å; Q24-Q27 PolarHBondContact O-N 3.22Å; Q24-A28 PolarHBondContact O-N 3.48Å
25L73.4Confident77.7Confident110 Ų11074.6 Ų74.658%0.57638%0.384SS*.Hα-helixtrans-60.8-42.2176.5-179.463.7000111.7T21 Q27 A28 I29T21-L25 PolarHBondContact O-N 3.45Å; L25-Q27 VanDerWaalsContact C-N 3.34Å; L25-Q27 PolarHBondContact O-N 3.14Å; L25-A28 PolarHBondContact O-N 2.82Å; L25-I29 HydrophobicContact CD1-CD1 4.23Å; L25-I29 HydrophobicContact CD1-CG1 4.42Å; L25-I29 HydrophobicContact CG-CD1 4.02Å; L25-I29 WeakPolarHBondContact O-CG1 3.39Å; L25-I29 PolarHBondContact O-N 3.29Å
26R78.9Confident78.5Confident85 Ų8570.2 Ų70.232%0.32137%0.367SS..Hα-helixtrans-59.6-45.1176-174.9-172.3-57.7172.21.2111.5K22 G23 Q24 A28 I29 L30 M148K22-R26 WeakPolarHBondContact O-CB 3.46Å; K22-R26 PolarHBondContact O-N 2.98Å; K22-R26 VanDerWaalsContact O-N 3.09Å; G23-R26 PolarHBondContact O-N 3.28Å; Q24-R26 VanDerWaalsContact C-N 3.33Å; Q24-R26 PolarHBondContact O-N 3.16Å; R26-A28 VanDerWaalsContact C-N 3.35Å; R26-I29 PolarHBondContact O-N 2.84Å; R26-L30 WeakPolarHBondContact O-CB 3.43Å; R26-L30 PolarHBondContact O-N 2.85Å; R26-M148 HydrophobicContact CG-SD 4.38Å
27Q82.3Confident79.4Confident38 Ų3867.5 Ų67.518%0.17835%0.354CS..Hα-helixtrans-61.6-43.1176-79.3-71.2-14.600111.3Y18 G23 Q24 L25 L30 W31Y18-Q27 HydrophobicContact CD1-CG 4.5Å; G23-Q27 PolarHBondContact O-N 2.92Å; Q24-Q27 PolarHBondContact O-N 3.22Å; L25-Q27 VanDerWaalsContact C-N 3.34Å; L25-Q27 PolarHBondContact O-N 3.14Å; Q27-L30 PolarHBondContact O-N 3.43Å; Q27-W31 PolarHBondContact O-N 3.47Å
28A81.2Confident80.5Confident59 Ų5966.9 Ų66.949%0.48835%0.35SS..Hα-helixtrans-60.6-47177.800000112.6Q24 L25 R26 W31 Q32Q24-A28 PolarHBondContact O-N 3.48Å; L25-A28 PolarHBondContact O-N 2.82Å; R26-A28 VanDerWaalsContact C-N 3.35Å; A28-W31 PolarHBondContact O-N 3.25Å; A28-Q32 PolarHBondContact O-N 2.95Å
29I80.6Confident81.3Confident87 Ų8767.7 Ų67.745%0.44637%0.37SS..Hα-helixtrans-62.8-45.5177.3-65.1167.3000110.7L25 R26 W31 Q32 D33L25-I29 HydrophobicContact CD1-CD1 4.23Å; L25-I29 HydrophobicContact CD1-CG1 4.42Å; L25-I29 HydrophobicContact CG-CD1 4.02Å; L25-I29 WeakPolarHBondContact O-CG1 3.39Å; L25-I29 PolarHBondContact O-N 3.29Å; R26-I29 PolarHBondContact O-N 2.84Å; I29-W31 VanDerWaalsContact C-N 3.33Å; I29-W31 PolarHBondContact O-N 3.39Å; I29-Q32 WeakPolarHBondContact O-CB 3.33Å; I29-Q32 PolarHBondContact O-N 2.87Å; I29-D33 PolarHBondContact O-N 3.23Å
30L86.3Confident82.1Confident16 Ų1669.8 Ų69.88%0.08436%0.363CS..Hα-helixtrans-58.5-45.2178.1175.363.9000111.7R26 Q27 D33 L34 T58R26-L30 WeakPolarHBondContact O-CB 3.43Å; R26-L30 PolarHBondContact O-N 2.85Å; Q27-L30 PolarHBondContact O-N 3.43Å; L30-D33 PolarHBondContact O-N 3.36Å; L30-L34 HydrophobicContact CD1-CD1 3.95Å; L30-L34 HydrophobicContact CD1-CG 4.13Å; L30-L34 HydrophobicContact CD2-CD1 4.33Å; L30-L34 HydrophobicContact CG-CD1 3.79Å; L30-L34 HydrophobicContact CG-CG 4.36Å; L30-L34 WeakPolarHBondContact O-CB 3.34Å; L30-L34 WeakPolarHBondContact O-CG 3.36Å; L30-L34 PolarHBondContact O-N 3.07Å; L30-T58 HydrophobicContact CD2-CG2 4.49Å
31W89.6Confident82.7Confident13 Ų1368.6 Ų68.65%0.04935%0.354CS..Hα-helixtrans-67.8-34.6178.7-81109.1000112.8Q27 A28 I29 D33 L34 D35 T58 K61 M62Q27-W31 PolarHBondContact O-N 3.47Å; A28-W31 PolarHBondContact O-N 3.25Å; I29-W31 VanDerWaalsContact C-N 3.33Å; I29-W31 PolarHBondContact O-N 3.39Å; W31-D33 VanDerWaalsContact C-N 3.27Å; W31-D33 PolarHBondContact O-N 3.48Å; W31-L34 HydrophobicContact CD2-CD1 4.45Å; W31-L34 HydrophobicContact CE3-CB 4.01Å; W31-L34 HydrophobicContact CE3-CD1 4.09Å; W31-L34 HydrophobicContact CH2-CD1 4.36Å; W31-L34 HydrophobicContact CZ3-CB 4.2Å; W31-L34 HydrophobicContact CZ3-CD1 4Å; W31-L34 PolarHBondContact O-N 3.02Å; W31-D35 VanDerWaalsContact O-CB 3.23Å; W31-D35 WeakPolarHBondContact O-CB 3.38Å; W31-D35 PolarHBondContact O-N 3.24Å; W31-T58 HydrophobicContact CH2-CG2 4.1Å; W31-T58 HydrophobicContact CZ2-CG2 3.73Å; W31-K61 HydrophobicContact CD2-CD 4.11Å; W31-K61 VanDerWaalsContact CE2-CD 3.41Å; W31-K61 HydrophobicContact CH2-CB 4.1Å; W31-K61 HydrophobicContact CH2-CD 4.19Å; W31-K61 HydrophobicContact CH2-CG 3.81Å; W31-K61 HydrophobicContact CZ2-CB 3.58Å; W31-K61 HydrophobicContact CZ2-CD 3.45Å; W31-K61 VanDerWaalsContact CZ2-CD 3.45Å; W31-K61 HydrophobicContact CZ2-CG 3.44Å; W31-K61 VanDerWaalsContact CZ2-CG 3.44Å; W31-M62 HydrophobicContact CH2-CE 3.86Å; W31-M62 HydrophobicContact CH2-CG 4Å; W31-M62 HydrophobicContact CH2-SD 3.95Å; W31-M62 HydrophobicContact CZ3-CE 3.75Å; W31-M62 HydrophobicContact CZ3-SD 4.11Å
32Q84.1Confident83.4Confident126 Ų12664.1 Ų64.159%0.58933%0.332SS*.Hα-helixtrans-58.2-41173.7-177.3-179.1-8.300112A28 I29A28-Q32 PolarHBondContact O-N 2.95Å; I29-Q32 WeakPolarHBondContact O-CB 3.33Å; I29-Q32 PolarHBondContact O-N 2.87Å
33D83.1Confident84.2Confident83 Ų8363.5 Ų63.544%0.44434%0.343SS..Hα-helixtrans-75.6-43.4177.4-71.2-27000112I29 L30 W31 R36 V37I29-D33 PolarHBondContact O-N 3.23Å; L30-D33 PolarHBondContact O-N 3.36Å; W31-D33 VanDerWaalsContact C-N 3.27Å; W31-D33 PolarHBondContact O-N 3.48Å; D33-R36 WeakPolarHBondContact O-CB 3.29Å; D33-R36 PolarHBondContact O-N 3.47Å; D33-V37 PolarHBondContact O-N 2.9Å
34L89.6Confident85.1Confident1 Ų167.3 Ų67.31%0.00536%0.361CS..Hα-helixtrans-64.1-40.7178.6-75.6174000112.5L30 W31 R36 V37 L38 T58 M62 L117L30-L34 HydrophobicContact CD1-CD1 3.95Å; L30-L34 HydrophobicContact CD1-CG 4.13Å; L30-L34 HydrophobicContact CD2-CD1 4.33Å; L30-L34 HydrophobicContact CG-CD1 3.79Å; L30-L34 HydrophobicContact CG-CG 4.36Å; L30-L34 WeakPolarHBondContact O-CB 3.34Å; L30-L34 WeakPolarHBondContact O-CG 3.36Å; L30-L34 PolarHBondContact O-N 3.07Å; W31-L34 HydrophobicContact CD2-CD1 4.45Å; W31-L34 HydrophobicContact CE3-CB 4.01Å; W31-L34 HydrophobicContact CE3-CD1 4.09Å; W31-L34 HydrophobicContact CH2-CD1 4.36Å; W31-L34 HydrophobicContact CZ3-CB 4.2Å; W31-L34 HydrophobicContact CZ3-CD1 4Å; W31-L34 PolarHBondContact O-N 3.02Å; L34-R36 PolarHBondContact O-N 3.4Å; L34-V37 PolarHBondContact O-N 3.22Å; L34-V37 VanDerWaalsContact O-N 3.1Å; L34-L38 WeakPolarHBondContact O-CG 3.32Å; L34-L38 PolarHBondContact O-N 2.92Å; L34-T58 HydrophobicContact CD1-CG2 4.08Å; L34-M62 HydrophobicContact CB-CE 4.5Å; L34-M62 HydrophobicContact CD1-CE 4.04Å; L34-M62 HydrophobicContact CD2-CE 4.25Å; L34-L117 HydrophobicContact CD2-CD2 3.88Å
35D89.5Confident85.9Confident67 Ų6767 Ų6736%0.35836%0.357SS..Hα-helixtrans-62.6-33.4179.7-71.5-19.9000110.7W31 A39 R65W31-D35 VanDerWaalsContact O-CB 3.23Å; W31-D35 WeakPolarHBondContact O-CB 3.38Å; W31-D35 PolarHBondContact O-N 3.24Å; D35-A39 WeakPolarHBondContact O-CB 3.09Å; D35-A39 PolarHBondContact O-N 2.75Å; D35-R65 IonicContact OD1-CZ 3.35Å; D35-R65 IonicContact OD1-NH1 3.55Å; D35-R65 IonicContact OD1-NH2 3.05Å; D35-R65 PolarHBondContact OD1-NH2 2.89Å; D35-R65 IonicContact OD2-NH2 3.71Å
36R85.5Confident87Confident103 Ų10361.9 Ų61.939%0.38933%0.33SS..Hα-helixtrans-65.9-45.6172.2-161.3-175.491.5-159.63.2112D33 L34 A39 E40D33-R36 WeakPolarHBondContact O-CB 3.29Å; D33-R36 PolarHBondContact O-N 3.47Å; L34-R36 PolarHBondContact O-N 3.4Å; R36-A39 PolarHBondContact O-N 2.88Å; R36-E40 IonicContact CZ-OE1 3.42Å; R36-E40 IonicContact NE-OE1 3.18Å; R36-E40 PolarHBondContact NE-OE1 3.32Å; R36-E40 VanDerWaalsContact NE-OE1 3.13Å; R36-E40 IonicContact NH2-OE1 2.78Å; R36-E40 WeakPolarHBondContact O-CG 3.37Å; R36-E40 PolarHBondContact O-N 3.22Å
37V87.2Confident87.8Confident24 Ų2460.3 Ų60.315%0.14532%0.324CS..Hα-helixtrans-63-44177.91730000111.1D33 L34 A39 E40 M41 V144D33-V37 PolarHBondContact O-N 2.9Å; L34-V37 PolarHBondContact O-N 3.22Å; L34-V37 VanDerWaalsContact O-N 3.1Å; V37-A39 VanDerWaalsContact C-N 3.33Å; V37-A39 PolarHBondContact O-N 3.46Å; V37-E40 PolarHBondContact O-N 2.74Å; V37-M41 HydrophobicContact CG1-CG 4.35Å; V37-M41 HydrophobicContact CG1-SD 4.01Å; V37-M41 WeakPolarHBondContact O-CG 3.24Å; V37-M41 PolarHBondContact O-N 3.11Å; V37-V144 HydrophobicContact CG1-CB 4.19Å; V37-V144 HydrophobicContact CG1-CG1 3.85Å; V37-V144 HydrophobicContact CG1-CG2 4.2Å
38L91Very high88.6Confident19 Ų1958.5 Ų58.510%0.09932%0.316CS..Hα-helixtrans-61.5-42177.6-70174.6000111.4L34 E40 M41 G42 L46 M62 L115L34-L38 WeakPolarHBondContact O-CG 3.32Å; L34-L38 PolarHBondContact O-N 2.92Å; L38-E40 PolarHBondContact O-N 3.07Å; L38-M41 PolarHBondContact O-N 3.35Å; L38-G42 PolarHBondContact O-N 2.93Å; L38-G42 VanDerWaalsContact O-N 3.12Å; L38-L46 HydrophobicContact CD2-CD1 3.65Å; L38-M62 HydrophobicContact CD1-CE 4.01Å; L38-M62 HydrophobicContact CD1-SD 4.02Å; L38-M62 HydrophobicContact CD2-CE 4.26Å; L38-M62 HydrophobicContact CD2-SD 4.29Å; L38-M62 HydrophobicContact CG-CE 4.41Å; L38-L115 HydrophobicContact CD2-CD2 4.2Å
39A87.6Confident89.4Confident80 Ų8055.7 Ų55.766%0.66129%0.293SS*.Hα-helixtrans-61.8-41.9174.800000112.3D35 R36 V37 M41 G42D35-A39 WeakPolarHBondContact O-CB 3.09Å; D35-A39 PolarHBondContact O-N 2.75Å; R36-A39 PolarHBondContact O-N 2.88Å; V37-A39 VanDerWaalsContact C-N 3.33Å; V37-A39 PolarHBondContact O-N 3.46Å; A39-M41 VanDerWaalsContact C-N 3.34Å; A39-G42 PolarHBondContact O-N 2.61Å
40E86.6Confident90.2Very high105 Ų10551.7 Ų51.749%0.49127%0.272SS..Hα-helixtrans-66.3-34.2176-71.6171.3-157.700112.5R36 V37 L38 G42 M203R36-E40 IonicContact CZ-OE1 3.42Å; R36-E40 IonicContact NE-OE1 3.18Å; R36-E40 PolarHBondContact NE-OE1 3.32Å; R36-E40 VanDerWaalsContact NE-OE1 3.13Å; R36-E40 IonicContact NH2-OE1 2.78Å; R36-E40 WeakPolarHBondContact O-CG 3.37Å; R36-E40 PolarHBondContact O-N 3.22Å; V37-E40 PolarHBondContact O-N 2.74Å; L38-E40 PolarHBondContact O-N 3.07Å; E40-G42 VanDerWaalsContact C-N 3.34Å; E40-M203 WeakPolarHBondContact OE2-CE 3.48Å
41M88.9Confident90.7Very high27 Ų2751 Ų5113%0.13327%0.268CS..Hα-helixtrans-74.2-23.9178-70.7-176.680.200112.7V37 L38 A39 Q44 L46 D114 L115 V144V37-M41 HydrophobicContact CG1-CG 4.35Å; V37-M41 HydrophobicContact CG1-SD 4.01Å; V37-M41 WeakPolarHBondContact O-CG 3.24Å; V37-M41 PolarHBondContact O-N 3.11Å; L38-M41 PolarHBondContact O-N 3.35Å; A39-M41 VanDerWaalsContact C-N 3.34Å; M41-Q44 PolarHBondContact O-NE2 3.32Å; M41-Q44 PolarHBondContact O-OE1 3.29Å; M41-L46 HydrophobicContact CB-CD1 4.4Å; M41-L46 HydrophobicContact CE-CD1 4.05Å; M41-L46 HydrophobicContact CE-CD2 3.95Å; M41-L46 HydrophobicContact SD-CD1 3.97Å; M41-D114 HydrophobicContact CE-CB 3.95Å; M41-D114 VanDerWaalsContact CE-O 3.31Å; M41-D114 WeakPolarHBondContact CE-O 3.31Å; M41-L115 HydrophobicContact CE-CB 4.46Å; M41-L115 HydrophobicContact SD-CB 4.48Å; M41-V144 HydrophobicContact CG-CG2 4.46Å; M41-V144 HydrophobicContact SD-CB 4.38Å; M41-V144 HydrophobicContact SD-CG2 4.09Å
42G87.2Confident90.9Very high23 Ų2351.1 Ų51.124%0.23727%0.274CS..  trans94175.5178.700000114.3L38 A39 E40 Q44L38-G42 PolarHBondContact O-N 2.93Å; L38-G42 VanDerWaalsContact O-N 3.12Å; A39-G42 PolarHBondContact O-N 2.61Å; E40-G42 VanDerWaalsContact C-N 3.34Å; G42-Q44 VanDerWaalsContact C-N 3.31Å; G42-Q44 PolarHBondContact O-N 3.24Å
43P86.1Confident91.2Very high140 Ų14045.6 Ų45.691%0.90925%0.251SS*.SBendtrans-79.8-4.6-166.132.3-37.3000114.8
44Q90.8Very high91.6Very high82 Ų8242.2 Ų42.238%0.38324%0.236SC..SBendtrans-65.9152.3-17769.9-78.4-7.200112.6M41 G42 L46M41-Q44 PolarHBondContact O-NE2 3.32Å; M41-Q44 PolarHBondContact O-OE1 3.29Å; G42-Q44 VanDerWaalsContact C-N 3.31Å; G42-Q44 PolarHBondContact O-N 3.24Å; Q44-L46 HydrophobicContact CG-CD2 4.14Å; Q44-L46 PolarHBondContact O-N 3.26Å; Q44-L46 VanDerWaalsContact O-N 3.12Å
45K94.1Very high91.6Very high120 Ų12043 Ų4352%0.52224%0.239SC..  trans-63113.6172.9-178.6163.9-175.7161.70110.3G66 N94K45-G66 VanDerWaalsContact CD-O 3.24Å; K45-G66 WeakPolarHBondContact CD-O 3.24Å; K45-G66 WeakPolarHBondContact CE-O 3.48Å; K45-G66 WeakPolarHBondContact CG-O 3.33Å; K45-N94 PolarHBondContact NZ-OD1 3.45Å
46L96.1Very high91.6Very high1 Ų139.8 Ų39.81%0.00522%0.222CC..  trans-86.1148.6177.5-55.4178.9000111.8L38 M41 Q44 V48 H67 Q68 D114L38-L46 HydrophobicContact CD2-CD1 3.65Å; M41-L46 HydrophobicContact CB-CD1 4.4Å; M41-L46 HydrophobicContact CE-CD1 4.05Å; M41-L46 HydrophobicContact CE-CD2 3.95Å; M41-L46 HydrophobicContact SD-CD1 3.97Å; Q44-L46 HydrophobicContact CG-CD2 4.14Å; Q44-L46 PolarHBondContact O-N 3.26Å; Q44-L46 VanDerWaalsContact O-N 3.12Å; L46-V48 HydrophobicContact CB-CG2 4.1Å; L46-H67 PolarHBondContact N-ND1 3.49Å; L46-Q68 PolarHBondContact O-N 3.12Å; L46-D114 WeakPolarHBondContact CA-OD2 3.44Å; L46-D114 HydrophobicContact CB-CB 4.27Å; L46-D114 HydrophobicContact CD2-CB 4.02Å
47R96.9Very high91.9Very high52 Ų5237.4 Ų37.420%0.19622%0.216CC..EExtended strand (participates in β ladder)trans-91.3112.7160.9-67.2-179.380.9-125.88.1108.4Q68 T111 P112 V113 D114 L115R47-Q68 CarbonylContact C-O 3.57Å; R47-Q68 WeakPolarHBondContact CA-O 3.47Å; R47-Q68 HydrophobicContact CG-CB 4.47Å; R47-T111 VanDerWaalsContact NH1-C 3.34Å; R47-T111 PolarHBondContact NH1-O 2.98Å; R47-T111 PolarHBondContact NH1-OG1 3.36Å; R47-T111 PolarHBondContact NH2-OG1 3.32Å; R47-T111 VanDerWaalsContact NH2-OG1 3.08Å; R47-P112 PolarHBondContact NH1-O 3.4Å; R47-V113 HydrophobicContact CB-CG1 4.45Å; R47-D114 PolarHBondContact N-OD2 3.35Å; R47-D114 PolarHBondContact O-N 3.15Å; R47-L115 PolarHBondContact O-N 2.78Å
48V97.6Very high92.1Very high0 Ų036.8 Ų36.80%021%0.212CC..EExtended strand (participates in β ladder)trans-110128.2-175.5-173.70000109.1L46 H67 Q68 V69 I70 L115 L117L46-V48 HydrophobicContact CB-CG2 4.1Å; V48-H67 HydrophobicContact CG2-CB 4.03Å; V48-Q68 PolarHBondContact N-O 3.44Å; V48-V69 HydrophobicContact CB-CG1 4.43Å; V48-V69 HydrophobicContact CB-CG2 4.33Å; V48-V69 CarbonylContact O-C 3.58Å; V48-V69 WeakPolarHBondContact O-CA 3.33Å; V48-I70 PolarHBondContact O-N 3.38Å; V48-L115 CarbonylContact C-O 3.07Å; V48-L115 VanDerWaalsContact CA-O 3.29Å; V48-L115 WeakPolarHBondContact CA-O 3.28Å; V48-L115 HydrophobicContact CG1-CB 4.4Å; V48-L115 HydrophobicContact CG1-CD2 4.18Å; V48-L115 HydrophobicContact CG1-CG 4.21Å; V48-L115 HydrophobicContact CG2-CB 4.3Å; V48-L115 HydrophobicContact CG2-CD2 4.25Å; V48-L117 HydrophobicContact CG1-CD1 3.92Å; V48-L117 HydrophobicContact CG1-CG 3.88Å
49L98.1Very high92.3Very high0 Ų035.9 Ų35.90%021%0.207CC..EExtended strand (participates in β ladder)trans-98.7120.3166.9171.363.7000108.9A51 I70 V105 L109 V113 L115 I116 L117 L135 V138L49-A51 HydrophobicContact CD2-CB 4.27Å; L49-A51 HydrophobicContact CG-CB 4.13Å; L49-I70 CarbonylContact C-O 3.09Å; L49-I70 WeakPolarHBondContact CA-O 3.37Å; L49-I70 HydrophobicContact CD1-CB 4.36Å; L49-I70 HydrophobicContact CD1-CG2 4.24Å; L49-V105 HydrophobicContact CD1-CG2 3.78Å; L49-V105 HydrophobicContact CD2-CG1 4.11Å; L49-V105 HydrophobicContact CD2-CG2 4.12Å; L49-L109 HydrophobicContact CD2-CD1 4.33Å; L49-V113 HydrophobicContact CB-CB 4.44Å; L49-V113 HydrophobicContact CB-CG1 4.15Å; L49-V113 HydrophobicContact CB-CG2 4.01Å; L49-L115 PolarHBondContact N-O 3.1Å; L49-I116 HydrophobicContact CB-CG1 4.23Å; L49-I116 HydrophobicContact CD2-CG1 4.3Å; L49-I116 HydrophobicContact CD2-CG2 4.43Å; L49-I116 CarbonylContact O-C 3.58Å; L49-I116 WeakPolarHBondContact O-CA 3.48Å; L49-L117 PolarHBondContact O-N 3.01Å; L49-L135 HydrophobicContact CD2-CD2 4.06Å; L49-V138 HydrophobicContact CD2-CG2 4.14Å
50D97.4Very high92.7Very high4 Ų432.7 Ų32.72%0.02118%0.179CC..EExtended strand (participates in β ladder)trans-98.794.4166.8-163.3-3000108.9G53 A59 I70 L71 C72 L117D50-G53 VanDerWaalsContact CG-CA 3.47Å; D50-G53 WeakPolarHBondContact OD1-CA 3.18Å; D50-A59 HydrophobicContact CB-CB 4.11Å; D50-A59 WeakPolarHBondContact OD2-CB 3.48Å; D50-A59 PolarHBondContact OD2-N 3.15Å; D50-I70 PolarHBondContact N-O 3.42Å; D50-L71 HydrophobicContact CB-CG 4.49Å; D50-C72 PolarHBondContact O-N 3.32Å; D50-L117 HydrophobicContact CB-CB 4.46Å; D50-L117 HydrophobicContact CB-CD1 4.39Å
51A96.7Very high93.1Very high0 Ų030.9 Ų30.90%017%0.169CC..EExtended strand (participates in β ladder)trans-87.6111.4-174.600000110.1L49 A102 L117 F118 L135L49-A51 HydrophobicContact CD2-CB 4.27Å; L49-A51 HydrophobicContact CG-CB 4.13Å; A51-A102 HydrophobicContact CB-CB 4.21Å; A51-L117 PolarHBondContact N-O 3.18Å; A51-F118 HydrophobicContact CB-CD2 3.71Å; A51-F118 HydrophobicContact CB-CE2 4.17Å; A51-F118 WeakPolarHBondContact O-CD2 3.27Å; A51-L135 HydrophobicContact CB-CD2 3.96Å
52G94.3Very high93.4Very high16 Ų1629.6 Ų29.617%0.16516%0.163CC..THydrogen-bonded Turntrans71.842-168.200000112.5G54 C72 V121G52-G54 PolarHBondContact O-N 2.9Å; G52-C72 WeakPolarHBondContact CA-O 3.42Å; G52-C72 PolarHBondContact N-O 3.23Å; G52-V121 WeakPolarHBondContact O-CG2 3.45Å
53G90.5Very high93.8Very high10 Ų1028.6 Ų28.610%0.10315%0.152CC..  trans-70.4-4.5-173.700000115.5D50 E55 G56 C72D50-G53 VanDerWaalsContact CG-CA 3.47Å; D50-G53 WeakPolarHBondContact OD1-CA 3.18Å; G53-E55 PolarHBondContact O-N 3.42Å; G53-G56 PolarHBondContact O-N 2.83Å; G53-C72 PolarHBondContact N-O 3.03Å
54G91.6Very high94.3Very high12 Ų1226.4 Ų26.412%0.12413%0.13CC..THydrogen-bonded Turntrans58.6-127.917700000112.8G52 G56 D73 M78G52-G54 PolarHBondContact O-N 2.9Å; G54-G56 PolarHBondContact O-N 3.16Å; G54-D73 WeakPolarHBondContact CA-OD2 3.48Å; G54-D73 PolarHBondContact N-OD2 3.36Å; G54-M78 CarbonylContact O-C 3.55Å
55E89.4Confident94.4Very high18 Ų1827.1 Ų27.18%0.08413%0.129CC..THydrogen-bonded Turntrans-77.34.4177.6-57.4-177.9159.400113.1S14 G53 Q57 M78 R81 A82S14-E55 VanDerWaalsContact CB-OE1 3.3Å; S14-E55 WeakPolarHBondContact CB-OE1 3.31Å; S14-E55 WeakPolarHBondContact CB-OE2 3.11Å; S14-E55 PolarHBondContact OG-OE1 2.76Å; S14-E55 PolarHBondContact OG-OE2 3.37Å; G53-E55 PolarHBondContact O-N 3.42Å; E55-Q57 PolarHBondContact OE2-NE2 3.36Å; E55-M78 HydrophobicContact CG-SD 3.55Å; E55-M78 VanDerWaalsContact CG-SD 3.55Å; E55-R81 HydrophobicContact CG-CB 4.21Å; E55-R81 VanDerWaalsContact OE1-CD 3.32Å; E55-R81 WeakPolarHBondContact OE1-CD 3.37Å; E55-R81 IonicContact OE1-CZ 2.73Å; E55-R81 IonicContact OE1-NE 2.86Å; E55-R81 IonicContact OE1-NH1 3.46Å; E55-R81 PolarHBondContact OE1-NH1 2.79Å; E55-A82 WeakPolarHBondContact O-CA 3.48Å
56G90.6Very high94.4Very high0 Ų022.9 Ų22.90%012%0.119CC..  trans78.522.4168.300000115.8G53 G54 T58 A59 I60 L71G53-G56 PolarHBondContact O-N 2.83Å; G54-G56 PolarHBondContact O-N 3.16Å; G56-T58 PolarHBondContact O-N 2.86Å; G56-A59 PolarHBondContact O-N 3.37Å; G56-I60 VanDerWaalsContact O-CB 3.27Å; G56-I60 WeakPolarHBondContact O-CB 3.3Å; G56-I60 WeakPolarHBondContact O-CD1 3.5Å; G56-I60 WeakPolarHBondContact O-CG1 3.33Å; G56-I60 PolarHBondContact O-N 3.22Å; G56-L71 VanDerWaalsContact CA-CD1 3.43Å
57Q90.2Very high94.4Very high53 Ų5323.7 Ų23.725%0.24812%0.123CC..Hα-helixtrans-55.3-47.6-179.3-68.984.33.300112.9Y18 E55 K61Y18-Q57 HydrophobicContact CD2-CG 4.4Å; Y18-Q57 VanDerWaalsContact CE2-CD 3.46Å; Y18-Q57 HydrophobicContact CE2-CG 4.44Å; Y18-Q57 VanDerWaalsContact CE2-OE1 3.28Å; E55-Q57 PolarHBondContact OE2-NE2 3.36Å; Q57-K61 PolarHBondContact O-N 3.01Å
58T92.5Very high94.4Very high10 Ų1025.2 Ų25.26%0.06113%0.132CC..Hα-helixtrans-75.4-41.8-180-47.90000111.1L30 W31 L34 G56 I60 K61 M62 L117L30-T58 HydrophobicContact CD2-CG2 4.49Å; W31-T58 HydrophobicContact CH2-CG2 4.1Å; W31-T58 HydrophobicContact CZ2-CG2 3.73Å; L34-T58 HydrophobicContact CD1-CG2 4.08Å; G56-T58 PolarHBondContact O-N 2.86Å; T58-I60 PolarHBondContact O-N 3.27Å; T58-K61 PolarHBondContact O-N 3.36Å; T58-M62 PolarHBondContact O-N 3.39Å; T58-L117 HydrophobicContact CG2-CD1 3.67Å
59A95.5Very high94.4Very high0 Ų025.2 Ų25.20%013%0.132CC..Hα-helixtrans-57.4-47.317600000113.4D50 G56 K61 M62 A63 V69 L71 M95D50-A59 HydrophobicContact CB-CB 4.11Å; D50-A59 WeakPolarHBondContact OD2-CB 3.48Å; D50-A59 PolarHBondContact OD2-N 3.15Å; G56-A59 PolarHBondContact O-N 3.37Å; A59-K61 VanDerWaalsContact C-N 3.33Å; A59-K61 PolarHBondContact O-N 3.3Å; A59-M62 PolarHBondContact O-N 3.49Å; A59-A63 PolarHBondContact O-N 3.33Å; A59-V69 HydrophobicContact CB-CG1 3.73Å; A59-L71 HydrophobicContact CB-CB 4.47Å; A59-L71 HydrophobicContact CB-CD1 3.71Å; A59-M95 HydrophobicContact CB-CE 3.54Å
60I95.9Very high94.3Very high13 Ų1325.3 Ų25.37%0.06713%0.133CC..Hα-helixtrans-59.8-45.6178.1-72.3165.3000110.1G56 T58 M62 A63 E64 A85 A86 K89 V91 M95G56-I60 VanDerWaalsContact O-CB 3.27Å; G56-I60 WeakPolarHBondContact O-CB 3.3Å; G56-I60 WeakPolarHBondContact O-CD1 3.5Å; G56-I60 WeakPolarHBondContact O-CG1 3.33Å; G56-I60 PolarHBondContact O-N 3.22Å; T58-I60 PolarHBondContact O-N 3.27Å; I60-M62 VanDerWaalsContact C-N 3.34Å; I60-M62 PolarHBondContact O-N 2.96Å; I60-A63 CarbonylContact O-C 3.55Å; I60-A63 WeakPolarHBondContact O-CA 3.32Å; I60-A63 WeakPolarHBondContact O-CB 3.16Å; I60-A63 PolarHBondContact O-N 2.9Å; I60-A63 VanDerWaalsContact O-N 3.1Å; I60-E64 HydrophobicContact CG2-CG 4.44Å; I60-E64 WeakPolarHBondContact O-CG 3.48Å; I60-E64 PolarHBondContact O-N 3.36Å; I60-A85 HydrophobicContact CD1-CB 3.49Å; I60-A85 VanDerWaalsContact CD1-CB 3.49Å; I60-A86 HydrophobicContact CD1-CB 4.43Å; I60-A86 HydrophobicContact CG1-CB 4.14Å; I60-K89 HydrophobicContact CG2-CB 4.11Å; I60-K89 HydrophobicContact CG2-CG 3.98Å; I60-V91 HydrophobicContact CG2-CG2 4.01Å; I60-M95 HydrophobicContact CG1-CE 4.29Å; I60-M95 HydrophobicContact CG1-SD 3.99Å
61K93.8Very high94.3Very high68 Ų6825.1 Ų25.130%0.29613%0.132SC..Hα-helixtrans-71.1-27.1-179.9-178.3167.9167.8-164.90113.3W31 Q57 T58 A59 E64 R65W31-K61 HydrophobicContact CD2-CD 4.11Å; W31-K61 VanDerWaalsContact CE2-CD 3.41Å; W31-K61 HydrophobicContact CH2-CB 4.1Å; W31-K61 HydrophobicContact CH2-CD 4.19Å; W31-K61 HydrophobicContact CH2-CG 3.81Å; W31-K61 HydrophobicContact CZ2-CB 3.58Å; W31-K61 HydrophobicContact CZ2-CD 3.45Å; W31-K61 VanDerWaalsContact CZ2-CD 3.45Å; W31-K61 HydrophobicContact CZ2-CG 3.44Å; W31-K61 VanDerWaalsContact CZ2-CG 3.44Å; Q57-K61 PolarHBondContact O-N 3.01Å; T58-K61 PolarHBondContact O-N 3.36Å; A59-K61 VanDerWaalsContact C-N 3.33Å; A59-K61 PolarHBondContact O-N 3.3Å; K61-E64 WeakPolarHBondContact CA-OE2 3.34Å; K61-R65 WeakPolarHBondContact O-CG 3.34Å; K61-R65 PolarHBondContact O-N 3.12Å
62M95.7Very high94.3Very high0 Ų025.1 Ų25.10%013%0.132CC..Hα-helixtrans-67.8-39.8166.8-75.9-63.5-173.900111.8W31 L34 L38 T58 A59 I60 R65 H67 V69 L115 L117W31-M62 HydrophobicContact CH2-CE 3.86Å; W31-M62 HydrophobicContact CH2-CG 4Å; W31-M62 HydrophobicContact CH2-SD 3.95Å; W31-M62 HydrophobicContact CZ3-CE 3.75Å; W31-M62 HydrophobicContact CZ3-SD 4.11Å; L34-M62 HydrophobicContact CB-CE 4.5Å; L34-M62 HydrophobicContact CD1-CE 4.04Å; L34-M62 HydrophobicContact CD2-CE 4.25Å; L38-M62 HydrophobicContact CD1-CE 4.01Å; L38-M62 HydrophobicContact CD1-SD 4.02Å; L38-M62 HydrophobicContact CD2-CE 4.26Å; L38-M62 HydrophobicContact CD2-SD 4.29Å; L38-M62 HydrophobicContact CG-CE 4.41Å; T58-M62 PolarHBondContact O-N 3.39Å; A59-M62 PolarHBondContact O-N 3.49Å; I60-M62 VanDerWaalsContact C-N 3.34Å; I60-M62 PolarHBondContact O-N 2.96Å; M62-R65 PolarHBondContact O-N 3.01Å; M62-H67 WeakPolarHBondContact O-CB 3.14Å; M62-H67 PolarHBondContact O-N 2.96Å; M62-V69 HydrophobicContact CB-CG2 3.72Å; M62-L115 HydrophobicContact CE-CD2 3.89Å; M62-L117 HydrophobicContact CE-CD1 4.46Å; M62-L117 HydrophobicContact CE-CD2 4.35Å; M62-L117 HydrophobicContact CG-CD1 4.26Å
63A96.7Very high94.4Very high1 Ų125.4 Ų25.41%0.00813%0.129CC..Hα-helixtrans-69.2-36.7176.800000112.5A59 I60 R65 G66 V69 V91 N94 M95A59-A63 PolarHBondContact O-N 3.33Å; I60-A63 CarbonylContact O-C 3.55Å; I60-A63 WeakPolarHBondContact O-CA 3.32Å; I60-A63 WeakPolarHBondContact O-CB 3.16Å; I60-A63 PolarHBondContact O-N 2.9Å; I60-A63 VanDerWaalsContact O-N 3.1Å; A63-R65 PolarHBondContact O-N 2.91Å; A63-G66 PolarHBondContact O-N 2.92Å; A63-V69 HydrophobicContact CB-CG2 4.01Å; A63-V91 HydrophobicContact CB-CB 3.92Å; A63-V91 HydrophobicContact CB-CG2 4.07Å; A63-N94 HydrophobicContact CB-CB 4.07Å; A63-M95 HydrophobicContact CB-CG 3.62Å; A63-M95 HydrophobicContact CB-SD 3.87Å
64E95Very high94.5Very high94 Ų9427.7 Ų27.744%0.43914%0.139SC..Hα-helixtrans-59.3-31.5170.7-74.2176.4144.200111.5I60 K61 G66 K89 V91I60-E64 HydrophobicContact CG2-CG 4.44Å; I60-E64 WeakPolarHBondContact O-CG 3.48Å; I60-E64 PolarHBondContact O-N 3.36Å; K61-E64 WeakPolarHBondContact CA-OE2 3.34Å; E64-G66 PolarHBondContact O-N 3.32Å; E64-K89 IonicContact OE1-NZ 2.86Å; E64-V91 HydrophobicContact CB-CG1 4.4Å; E64-V91 HydrophobicContact CG-CG1 3.69Å
65R92.9Very high94.6Very high98 Ų9827.1 Ų27.137%0.3713%0.133SC..THydrogen-bonded Turntrans-827.9173.1-69.8-168.8175.6113-23.4114.2D35 K61 M62 A63D35-R65 IonicContact OD1-CZ 3.35Å; D35-R65 IonicContact OD1-NH1 3.55Å; D35-R65 IonicContact OD1-NH2 3.05Å; D35-R65 PolarHBondContact OD1-NH2 2.89Å; D35-R65 IonicContact OD2-NH2 3.71Å; K61-R65 WeakPolarHBondContact O-CG 3.34Å; K61-R65 PolarHBondContact O-N 3.12Å; M62-R65 PolarHBondContact O-N 3.01Å; A63-R65 PolarHBondContact O-N 2.91Å
66G94Very high94.7Very high31 Ų3128 Ų2832%0.3214%0.143SC..THydrogen-bonded Turntrans85.54.8173.100000115.5K45 A63 E64K45-G66 VanDerWaalsContact CD-O 3.24Å; K45-G66 WeakPolarHBondContact CD-O 3.24Å; K45-G66 WeakPolarHBondContact CE-O 3.48Å; K45-G66 WeakPolarHBondContact CG-O 3.33Å; A63-G66 PolarHBondContact O-N 2.92Å; E64-G66 PolarHBondContact O-N 3.32Å
67H96.3Very high94.8Very high18 Ų1832 Ų328%0.08316%0.162CC..  trans-75156.3174.8-57.7-44.2000112L46 V48 M62L46-H67 PolarHBondContact N-ND1 3.49Å; V48-H67 HydrophobicContact CG2-CB 4.03Å; M62-H67 WeakPolarHBondContact O-CB 3.14Å; M62-H67 PolarHBondContact O-N 2.96Å
68Q96.7Very high94.8Very high83 Ų8329.7 Ų29.739%0.38815%0.151SC..EExtended strand (participates in β ladder)trans-89.9119.3171.8-172.8176.920.900108.6L46 R47 V48L46-Q68 PolarHBondContact O-N 3.12Å; R47-Q68 CarbonylContact C-O 3.57Å; R47-Q68 WeakPolarHBondContact CA-O 3.47Å; R47-Q68 HydrophobicContact CG-CB 4.47Å; V48-Q68 PolarHBondContact N-O 3.44Å
69V97.8Very high94.9Very high0 Ų029.4 Ų29.40%015%0.149CC..EExtended strand (participates in β ladder)trans-116.5131-171.5-169.40000111V48 A59 M62 A63 N94 M95 Q96V48-V69 HydrophobicContact CB-CG1 4.43Å; V48-V69 HydrophobicContact CB-CG2 4.33Å; V48-V69 CarbonylContact O-C 3.58Å; V48-V69 WeakPolarHBondContact O-CA 3.33Å; A59-V69 HydrophobicContact CB-CG1 3.73Å; M62-V69 HydrophobicContact CB-CG2 3.72Å; A63-V69 HydrophobicContact CB-CG2 4.01Å; V69-N94 PolarHBondContact N-O 3.45Å; V69-M95 HydrophobicContact CB-CG 4.35Å; V69-M95 HydrophobicContact CG1-CE 4.47Å; V69-M95 CarbonylContact O-C 3.59Å; V69-M95 VanDerWaalsContact O-CA 3.26Å; V69-M95 WeakPolarHBondContact O-CA 3.33Å; V69-Q96 PolarHBondContact O-N 3.47Å
70I97.7Very high94.8Very high3 Ų333.4 Ų33.42%0.01517%0.171CC..EExtended strand (participates in β ladder)trans-110.9113.6173.2-55.4170.9000105.8V48 L49 D50 Q96 I98 L109V48-I70 PolarHBondContact O-N 3.38Å; L49-I70 CarbonylContact C-O 3.09Å; L49-I70 WeakPolarHBondContact CA-O 3.37Å; L49-I70 HydrophobicContact CD1-CB 4.36Å; L49-I70 HydrophobicContact CD1-CG2 4.24Å; D50-I70 PolarHBondContact N-O 3.42Å; I70-Q96 CarbonylContact C-O 3.49Å; I70-Q96 WeakPolarHBondContact CA-O 3.38Å; I70-Q96 HydrophobicContact CG1-CB 4.37Å; I70-I98 HydrophobicContact CG2-CD1 3.46Å; I70-I98 VanDerWaalsContact CG2-CD1 3.46Å; I70-I98 HydrophobicContact CG2-CG1 4.24Å; I70-L109 HydrophobicContact CD1-CD2 3.39Å; I70-L109 HydrophobicContact CG2-CD2 4.26Å
71L97.6Very high94.6Very high0 Ų036 Ų360%018%0.18CC..EExtended strand (participates in β ladder)trans-102.9124.4176.8-175.4158.8000108.5D50 G56 A59 D73 I79 A82 Q96 F97 I98D50-L71 HydrophobicContact CB-CG 4.49Å; G56-L71 VanDerWaalsContact CA-CD1 3.43Å; A59-L71 HydrophobicContact CB-CB 4.47Å; A59-L71 HydrophobicContact CB-CD1 3.71Å; L71-D73 HydrophobicContact CD2-CB 4.49Å; L71-I79 HydrophobicContact CD2-CD1 3.35Å; L71-A82 HydrophobicContact CD1-CB 4.07Å; L71-Q96 PolarHBondContact N-O 2.94Å; L71-F97 HydrophobicContact CB-CD1 4.26Å; L71-F97 HydrophobicContact CD1-CE1 4.48Å; L71-F97 HydrophobicContact CD2-CD1 4.32Å; L71-F97 WeakPolarHBondContact O-CA 3.42Å; L71-I98 PolarHBondContact O-N 2.95Å
72C96.6Very high94.6Very high0 Ų032.8 Ų32.80%017%0.166CC..EExtended strand (participates in β ladder)trans-118.4144.1169.680.20000111.8D50 G52 G53 I98 V105D50-C72 PolarHBondContact O-N 3.32Å; G52-C72 WeakPolarHBondContact CA-O 3.42Å; G52-C72 PolarHBondContact N-O 3.23Å; G53-C72 PolarHBondContact N-O 3.03Å; C72-I98 WeakPolarHBondContact CA-O 3.38Å; C72-I98 HydrophobicContact CB-CB 4.12Å; C72-V105 HydrophobicContact CB-CG2 4.35Å
73D95.6Very high94.6Very high21 Ų2136.5 Ų36.511%0.11218%0.182CC..EExtended strand (participates in β ladder)trans-152.6151175.5-156.8-73.6000110.7G54 L71 S75 I79 I98 H99 C100G54-D73 WeakPolarHBondContact CA-OD2 3.48Å; G54-D73 PolarHBondContact N-OD2 3.36Å; L71-D73 HydrophobicContact CD2-CB 4.49Å; D73-S75 WeakPolarHBondContact OD1-CB 3.41Å; D73-S75 PolarHBondContact OD1-N 3.48Å; D73-I79 HydrophobicContact CB-CD1 3.82Å; D73-I79 HydrophobicContact CB-CG1 4.08Å; D73-I98 PolarHBondContact N-O 3.15Å; D73-H99 PolarHBondContact O-CD2 2.89Å; D73-C100 CarbonylContact C-O 3.1Å; D73-C100 PolarHBondContact O-N 2.93Å; D73-C100 VanDerWaalsContact O-O 3.07Å
74L93.1Very high94.5Very high59 Ų5942.6 Ų42.631%0.30921%0.21SC..SBendtrans-74.4-28.3176.5-178.464.2000111.9D3 N5 H99 C100 A101D3-L74 HydrophobicContact CB-CD2 4.02Å; N5-L74 HydrophobicContact CB-CD2 4.12Å; N5-L74 HydrophobicContact CB-CG 4.32Å; L74-H99 PolarHBondContact O-CD2 2.97Å; L74-H99 PolarHBondContact O-NE2 3.25Å; L74-C100 PolarHBondContact N-O 2.84Å; L74-A101 HydrophobicContact CD1-CB 4.23Å
75S92.5Very high94.4Very high0 Ų039.9 Ų39.90%020%0.204CC..  trans-86.7120.9-179.8171.30000111.2N5 D7 D73 Q77 M78 I79N5-S75 WeakPolarHBondContact OD1-CB 3.26Å; D7-S75 WeakPolarHBondContact OD1-CA 3.4Å; D7-S75 WeakPolarHBondContact OD1-CB 3.49Å; D7-S75 PolarHBondContact OD1-OG 3.46Å; D73-S75 WeakPolarHBondContact OD1-CB 3.41Å; D73-S75 PolarHBondContact OD1-N 3.48Å; S75-Q77 VanDerWaalsContact C-N 3.3Å; S75-Q77 PolarHBondContact O-N 2.93Å; S75-Q77 PolarHBondContact OG-N 3.27Å; S75-M78 PolarHBondContact O-N 3.28Å; S75-M78 WeakPolarHBondContact OG-CG 3.35Å; S75-M78 PolarHBondContact OG-N 3.02Å; S75-I79 WeakPolarHBondContact O-CG1 3.49Å; S75-I79 PolarHBondContact O-N 2.71Å
76A92.6Very high94.5Very high35 Ų3535.2 Ų35.229%0.28919%0.186SC..Hα-helixtrans-65.5-37.2175.100000111.2D7 M78 I79 D80D7-A76 PolarHBondContact OD1-N 3.34Å; D7-A76 VanDerWaalsContact OD1-N 3.14Å; A76-M78 VanDerWaalsContact C-N 3.34Å; A76-M78 PolarHBondContact O-N 3.14Å; A76-I79 PolarHBondContact O-N 3.36Å; A76-D80 PolarHBondContact O-N 3.1Å
77Q91.8Very high94.6Very high85 Ų8540.2 Ų40.240%0.39720%0.201SC..Hα-helixtrans-64.4-37.6177.9-70.1-171.818.800112.9D7 A10 S75 D80 R81D7-Q77 HydrophobicContact CB-CG 4.38Å; D7-Q77 PolarHBondContact O-NE2 2.82Å; D7-Q77 PolarHBondContact O-OE1 3.19Å; D7-Q77 VanDerWaalsContact O-OE1 3.11Å; D7-Q77 PolarHBondContact OD1-N 3.43Å; D7-Q77 VanDerWaalsContact OD1-N 3.13Å; A10-Q77 HydrophobicContact CB-CB 4.32Å; S75-Q77 VanDerWaalsContact C-N 3.3Å; S75-Q77 PolarHBondContact O-N 2.93Å; S75-Q77 PolarHBondContact OG-N 3.27Å; Q77-D80 PolarHBondContact O-N 2.99Å; Q77-R81 WeakPolarHBondContact O-CG 3.41Å; Q77-R81 PolarHBondContact O-N 3.28Å; Q77-R81 VanDerWaalsContact O-N 3.1Å
78M90.6Very high94.5Very high4 Ų443.7 Ų43.72%0.0223%0.233CC..Hα-helixtrans-64.7-44.4176.1-70-62-176.600111.3F6 A10 F13 G54 E55 S75 A76 D80 R81 A82F6-M78 HydrophobicContact CB-CE 3.81Å; F6-M78 HydrophobicContact CD1-CE 4.19Å; F6-M78 HydrophobicContact CG-CE 4.37Å; A10-M78 HydrophobicContact CB-CE 3.85Å; A10-M78 HydrophobicContact CB-SD 4.27Å; F13-M78 HydrophobicContact CB-CE 4.21Å; F13-M78 HydrophobicContact CD1-CE 4.09Å; F13-M78 HydrophobicContact CG-CE 4.18Å; G54-M78 CarbonylContact O-C 3.55Å; E55-M78 HydrophobicContact CG-SD 3.55Å; E55-M78 VanDerWaalsContact CG-SD 3.55Å; S75-M78 PolarHBondContact O-N 3.28Å; S75-M78 WeakPolarHBondContact OG-CG 3.35Å; S75-M78 PolarHBondContact OG-N 3.02Å; A76-M78 VanDerWaalsContact C-N 3.34Å; A76-M78 PolarHBondContact O-N 3.14Å; M78-D80 PolarHBondContact O-N 3.33Å; M78-R81 PolarHBondContact O-N 3.14Å; M78-A82 WeakPolarHBondContact O-CB 3.19Å; M78-A82 PolarHBondContact O-N 3.17Å
79I94.4Very high94.4Very high5 Ų545.9 Ų45.93%0.02624%0.241CC..Hα-helixtrans-57.9-47174.8-68-63.5000111.7L71 D73 S75 A76 R81 A82 K83 F97L71-I79 HydrophobicContact CD2-CD1 3.35Å; D73-I79 HydrophobicContact CB-CD1 3.82Å; D73-I79 HydrophobicContact CB-CG1 4.08Å; S75-I79 WeakPolarHBondContact O-CG1 3.49Å; S75-I79 PolarHBondContact O-N 2.71Å; A76-I79 PolarHBondContact O-N 3.36Å; I79-R81 VanDerWaalsContact C-N 3.33Å; I79-R81 PolarHBondContact O-N 3.36Å; I79-A82 PolarHBondContact O-N 3.36Å; I79-K83 HydrophobicContact CG2-CD 4.26Å; I79-K83 WeakPolarHBondContact O-CG 3.32Å; I79-K83 PolarHBondContact O-N 3.39Å; I79-F97 HydrophobicContact CG2-CB 4.09Å
80D93.5Very high94.3Very high83 Ų8349 Ų4944%0.44427%0.273SS..Hα-helixtrans-64.2-39.1-178.9-74.8-19000112A76 Q77 M78 K83 Q84A76-D80 PolarHBondContact O-N 3.1Å; Q77-D80 PolarHBondContact O-N 2.99Å; M78-D80 PolarHBondContact O-N 3.33Å; D80-K83 PolarHBondContact O-N 2.96Å; D80-Q84 WeakPolarHBondContact O-CG 3.28Å; D80-Q84 PolarHBondContact O-N 3.11Å; D80-Q84 VanDerWaalsContact O-N 3.1Å
81R91.7Very high94.2Very high68 Ų6849.4 Ų49.426%0.25728%0.276SS..Hα-helixtrans-65.5-42.2173.5-72178.1177.8-158.8-0.6112.4A10 E55 Q77 M78 I79 K83 Q84 A85A10-R81 PolarHBondContact O-NH1 3.04Å; E55-R81 HydrophobicContact CG-CB 4.21Å; E55-R81 VanDerWaalsContact OE1-CD 3.32Å; E55-R81 WeakPolarHBondContact OE1-CD 3.37Å; E55-R81 IonicContact OE1-CZ 2.73Å; E55-R81 IonicContact OE1-NE 2.86Å; E55-R81 IonicContact OE1-NH1 3.46Å; E55-R81 PolarHBondContact OE1-NH1 2.79Å; Q77-R81 WeakPolarHBondContact O-CG 3.41Å; Q77-R81 PolarHBondContact O-N 3.28Å; Q77-R81 VanDerWaalsContact O-N 3.1Å; M78-R81 PolarHBondContact O-N 3.14Å; I79-R81 VanDerWaalsContact C-N 3.33Å; I79-R81 PolarHBondContact O-N 3.36Å; R81-K83 VanDerWaalsContact C-N 3.33Å; R81-K83 PolarHBondContact O-N 2.9Å; R81-Q84 PolarHBondContact O-N 3.43Å; R81-A85 WeakPolarHBondContact O-CB 3.36Å; R81-A85 PolarHBondContact O-N 3.45Å
82A93.7Very high94Very high0 Ų051 Ų510%029%0.287CS..Hα-helixtrans-62.6-40.6177.700000111.8E55 L71 M78 I79 A85 A86 F97E55-A82 WeakPolarHBondContact O-CA 3.48Å; L71-A82 HydrophobicContact CD1-CB 4.07Å; M78-A82 WeakPolarHBondContact O-CB 3.19Å; M78-A82 PolarHBondContact O-N 3.17Å; I79-A82 PolarHBondContact O-N 3.36Å; A82-A85 PolarHBondContact O-N 3.24Å; A82-A86 WeakPolarHBondContact O-CB 3.19Å; A82-A86 PolarHBondContact O-N 3.06Å; A82-F97 HydrophobicContact CB-CD1 4.2Å; A82-F97 HydrophobicContact CB-CE1 3.76Å
83K95.9Very high93.9Very high78 Ų7859 Ų5934%0.33933%0.33SS..Hα-helixtrans-60-50.6173.4-75172.9-177.6169.10111.8I79 D80 R81 A85 A86 E87 F97I79-K83 HydrophobicContact CG2-CD 4.26Å; I79-K83 WeakPolarHBondContact O-CG 3.32Å; I79-K83 PolarHBondContact O-N 3.39Å; D80-K83 PolarHBondContact O-N 2.96Å; R81-K83 VanDerWaalsContact C-N 3.33Å; R81-K83 PolarHBondContact O-N 2.9Å; K83-A85 VanDerWaalsContact C-N 3.31Å; K83-A85 PolarHBondContact O-N 3.27Å; K83-A86 PolarHBondContact O-N 3.41Å; K83-E87 WeakPolarHBondContact O-CG 3.41Å; K83-E87 PolarHBondContact O-N 3.33Å; K83-F97 HydrophobicContact CD-CD2 4.44Å; K83-F97 HydrophobicContact CD-CG 4.43Å; K83-F97 HydrophobicContact CG-CB 4.21Å; K83-F97 HydrophobicContact CG-CD1 3.91Å; K83-F97 HydrophobicContact CG-CD2 3.54Å; K83-F97 HydrophobicContact CG-CE1 4.14Å; K83-F97 HydrophobicContact CG-CE2 3.79Å; K83-F97 HydrophobicContact CG-CG 3.6Å; K83-F97 HydrophobicContact CG-CZ 4.08Å
84Q94.3Very high93.9Very high130 Ų13060.2 Ų60.261%0.60734%0.336SS*.Hα-helixtrans-60-42178.5-7117210.900111.8D80 R81 E87 A88D80-Q84 WeakPolarHBondContact O-CG 3.28Å; D80-Q84 PolarHBondContact O-N 3.11Å; D80-Q84 VanDerWaalsContact O-N 3.1Å; R81-Q84 PolarHBondContact O-N 3.43Å; Q84-E87 PolarHBondContact O-N 3.46Å; Q84-A88 WeakPolarHBondContact O-CB 3.48Å; Q84-A88 PolarHBondContact O-N 3.45Å
85A93.1Very high94.1Very high37 Ų3758.4 Ų58.431%0.30633%0.326SS..Hα-helixtrans-67.3-39.617800000112.4I60 R81 A82 K83 A88 K89I60-A85 HydrophobicContact CD1-CB 3.49Å; I60-A85 VanDerWaalsContact CD1-CB 3.49Å; R81-A85 WeakPolarHBondContact O-CB 3.36Å; R81-A85 PolarHBondContact O-N 3.45Å; A82-A85 PolarHBondContact O-N 3.24Å; K83-A85 VanDerWaalsContact C-N 3.31Å; K83-A85 PolarHBondContact O-N 3.27Å; A85-A88 PolarHBondContact O-N 2.99Å; A85-K89 WeakPolarHBondContact O-CB 3.46Å; A85-K89 VanDerWaalsContact O-CG 3.31Å; A85-K89 WeakPolarHBondContact O-CG 3.27Å; A85-K89 PolarHBondContact O-N 3.49Å; A85-K89 VanDerWaalsContact O-N 3.15Å
86A95.9Very high94.2Very high0 Ų062.9 Ų62.90%035%0.347CS..Hα-helixtrans-66.7-39175.500000112.5I60 A82 K83 K89 G90 V91 S92 M95 F97I60-A86 HydrophobicContact CD1-CB 4.43Å; I60-A86 HydrophobicContact CG1-CB 4.14Å; A82-A86 WeakPolarHBondContact O-CB 3.19Å; A82-A86 PolarHBondContact O-N 3.06Å; K83-A86 PolarHBondContact O-N 3.41Å; A86-K89 CarbonylContact O-C 3.57Å; A86-K89 PolarHBondContact O-N 2.73Å; A86-G90 PolarHBondContact O-N 2.68Å; A86-V91 HydrophobicContact CB-CG2 4.17Å; A86-V91 PolarHBondContact O-N 3.14Å; A86-S92 VanDerWaalsContact C-OG 3.28Å; A86-M95 HydrophobicContact CB-SD 3.74Å; A86-F97 HydrophobicContact CB-CZ 3.76Å
87E95.4Very high94.5Very high136 Ų13663.1 Ų63.164%0.63634%0.342SS*.Hα-helixtrans-63.6-46.9174.5-77.5176.9-175.800111K83 Q84 K89 G90 S92K83-E87 WeakPolarHBondContact O-CG 3.41Å; K83-E87 PolarHBondContact O-N 3.33Å; Q84-E87 PolarHBondContact O-N 3.46Å; E87-K89 PolarHBondContact O-N 2.89Å; E87-G90 PolarHBondContact O-N 3.15Å; E87-S92 VanDerWaalsContact CA-OG 3.32Å; E87-S92 WeakPolarHBondContact CA-OG 3.35Å; E87-S92 VanDerWaalsContact CG-OG 3.31Å; E87-S92 WeakPolarHBondContact CG-OG 3.46Å; E87-S92 PolarHBondContact N-OG 3.43Å; E87-S92 VanDerWaalsContact N-OG 3.1Å
88A94.2Very high94.7Very high90 Ų9059.6 Ų59.674%0.74433%0.326SS*.Hα-helixtrans-61-26177.100000113.1Q84 A85Q84-A88 WeakPolarHBondContact O-CB 3.48Å; Q84-A88 PolarHBondContact O-N 3.45Å; A85-A88 PolarHBondContact O-N 2.99Å
89K93.9Very high94.9Very high130 Ų13064.7 Ų64.757%0.56535%0.349SS*.Hα-helixtrans-93.6-6.8176.4-70-68.2-167.1160.40114.1I60 E64 A85 A86 E87 V91I60-K89 HydrophobicContact CG2-CB 4.11Å; I60-K89 HydrophobicContact CG2-CG 3.98Å; E64-K89 IonicContact OE1-NZ 2.86Å; A85-K89 WeakPolarHBondContact O-CB 3.46Å; A85-K89 VanDerWaalsContact O-CG 3.31Å; A85-K89 WeakPolarHBondContact O-CG 3.27Å; A85-K89 PolarHBondContact O-N 3.49Å; A85-K89 VanDerWaalsContact O-N 3.15Å; A86-K89 CarbonylContact O-C 3.57Å; A86-K89 PolarHBondContact O-N 2.73Å; E87-K89 PolarHBondContact O-N 2.89Å; K89-V91 HydrophobicContact CB-CG2 4.18Å
90G95.4Very high94.9Very high64 Ų6465 Ų6566%0.6635%0.352SS*.THydrogen-bonded Turntrans7026.3179.400000114.6A86 E87A86-G90 PolarHBondContact O-N 2.68Å; E87-G90 PolarHBondContact O-N 3.15Å
91V96.2Very high94.9Very high13 Ų1361.7 Ų61.78%0.07934%0.335CS..  trans-113.73.9-177.4-63.10000114.3I60 A63 E64 A86 K89 D93 N94 M95I60-V91 HydrophobicContact CG2-CG2 4.01Å; A63-V91 HydrophobicContact CB-CB 3.92Å; A63-V91 HydrophobicContact CB-CG2 4.07Å; E64-V91 HydrophobicContact CB-CG1 4.4Å; E64-V91 HydrophobicContact CG-CG1 3.69Å; A86-V91 HydrophobicContact CB-CG2 4.17Å; A86-V91 PolarHBondContact O-N 3.14Å; K89-V91 HydrophobicContact CB-CG2 4.18Å; V91-D93 PolarHBondContact O-N 3.45Å; V91-D93 VanDerWaalsContact O-N 3.11Å; V91-N94 PolarHBondContact O-N 2.93Å; V91-M95 HydrophobicContact CG2-SD 4.02Å
92S93.9Very high94.9Very high34 Ų3458.8 Ų58.824%0.23833%0.326CS..G310 helixtrans-54.5-32.2-178-600000113.9A86 E87 N94 M95A86-S92 VanDerWaalsContact C-OG 3.28Å; E87-S92 VanDerWaalsContact CA-OG 3.32Å; E87-S92 WeakPolarHBondContact CA-OG 3.35Å; E87-S92 VanDerWaalsContact CG-OG 3.31Å; E87-S92 WeakPolarHBondContact CG-OG 3.46Å; E87-S92 PolarHBondContact N-OG 3.43Å; E87-S92 VanDerWaalsContact N-OG 3.1Å; S92-N94 PolarHBondContact O-N 3.19Å; S92-M95 PolarHBondContact O-N 3.2Å; S92-M95 VanDerWaalsContact O-O 3.11Å
93D94.1Very high94.9Very high167 Ų16760.7 Ų60.789%0.89334%0.335SS*.G310 helixtrans-65.2-21.4178.2-65.9-23000113.5V91V91-D93 PolarHBondContact O-N 3.45Å; V91-D93 VanDerWaalsContact O-N 3.11Å
94N94.9Very high94.8Very high47 Ų4761.4 Ų61.425%0.25134%0.342SS..G310 helixtrans-952.1175.5-75.9-39.2000112.8K45 A63 V69 V91 S92K45-N94 PolarHBondContact NZ-OD1 3.45Å; A63-N94 HydrophobicContact CB-CB 4.07Å; V69-N94 PolarHBondContact N-O 3.45Å; V91-N94 PolarHBondContact O-N 2.93Å; S92-N94 PolarHBondContact O-N 3.19Å
95M97.4Very high94.7Very high20 Ų2055.2 Ų55.210%0.09931%0.314CS..EExtended strand (participates in β ladder)trans-123.5141.6-171.8-61.7-169.768.800113.2A59 I60 A63 V69 A86 V91 S92 F97A59-M95 HydrophobicContact CB-CE 3.54Å; I60-M95 HydrophobicContact CG1-CE 4.29Å; I60-M95 HydrophobicContact CG1-SD 3.99Å; A63-M95 HydrophobicContact CB-CG 3.62Å; A63-M95 HydrophobicContact CB-SD 3.87Å; V69-M95 HydrophobicContact CB-CG 4.35Å; V69-M95 HydrophobicContact CG1-CE 4.47Å; V69-M95 CarbonylContact O-C 3.59Å; V69-M95 VanDerWaalsContact O-CA 3.26Å; V69-M95 WeakPolarHBondContact O-CA 3.33Å; A86-M95 HydrophobicContact CB-SD 3.74Å; V91-M95 HydrophobicContact CG2-SD 4.02Å; S92-M95 PolarHBondContact O-N 3.2Å; S92-M95 VanDerWaalsContact O-O 3.11Å; M95-F97 HydrophobicContact CB-CE2 3.84Å; M95-F97 HydrophobicContact CB-CZ 3.9Å; M95-F97 HydrophobicContact CE-CE1 3.9Å; M95-F97 HydrophobicContact CE-CZ 3.86Å; M95-F97 HydrophobicContact SD-CZ 4.11Å
96Q96.4Very high94.7Very high94 Ų9455.5 Ų55.544%0.43932%0.316SS..EExtended strand (participates in β ladder)trans-120.8131.9169.5-176.6179.9-3.800109.3V69 I70 L71 I98V69-Q96 PolarHBondContact O-N 3.47Å; I70-Q96 CarbonylContact C-O 3.49Å; I70-Q96 WeakPolarHBondContact CA-O 3.38Å; I70-Q96 HydrophobicContact CG1-CB 4.37Å; L71-Q96 PolarHBondContact N-O 2.94Å; Q96-I98 HydrophobicContact CG-CG1 4.29Å
97F97.2Very high94.6Very high41 Ų4160.2 Ų60.218%0.1835%0.349CS..EExtended strand (participates in β ladder)trans-112126-177.9-58.7-88.5000110.6L71 I79 A82 K83 A86 M95L71-F97 HydrophobicContact CB-CD1 4.26Å; L71-F97 HydrophobicContact CD1-CE1 4.48Å; L71-F97 HydrophobicContact CD2-CD1 4.32Å; L71-F97 WeakPolarHBondContact O-CA 3.42Å; I79-F97 HydrophobicContact CG2-CB 4.09Å; A82-F97 HydrophobicContact CB-CD1 4.2Å; A82-F97 HydrophobicContact CB-CE1 3.76Å; K83-F97 HydrophobicContact CD-CD2 4.44Å; K83-F97 HydrophobicContact CD-CG 4.43Å; K83-F97 HydrophobicContact CG-CB 4.21Å; K83-F97 HydrophobicContact CG-CD1 3.91Å; K83-F97 HydrophobicContact CG-CD2 3.54Å; K83-F97 HydrophobicContact CG-CE1 4.14Å; K83-F97 HydrophobicContact CG-CE2 3.79Å; K83-F97 HydrophobicContact CG-CG 3.6Å; K83-F97 HydrophobicContact CG-CZ 4.08Å; A86-F97 HydrophobicContact CB-CZ 3.76Å; M95-F97 HydrophobicContact CB-CE2 3.84Å; M95-F97 HydrophobicContact CB-CZ 3.9Å; M95-F97 HydrophobicContact CE-CE1 3.9Å; M95-F97 HydrophobicContact CE-CZ 3.86Å; M95-F97 HydrophobicContact SD-CZ 4.11Å
98I96Very high94.5Very high11 Ų1157.9 Ų57.96%0.05634%0.338CS..EExtended strand (participates in β ladder)trans-125.9119.1-176.6-52.7171.9000109I70 L71 C72 D73 Q96 C100 H108I70-I98 HydrophobicContact CG2-CD1 3.46Å; I70-I98 VanDerWaalsContact CG2-CD1 3.46Å; I70-I98 HydrophobicContact CG2-CG1 4.24Å; L71-I98 PolarHBondContact O-N 2.95Å; C72-I98 WeakPolarHBondContact CA-O 3.38Å; C72-I98 HydrophobicContact CB-CB 4.12Å; D73-I98 PolarHBondContact N-O 3.15Å; Q96-I98 HydrophobicContact CG-CG1 4.29Å; I98-C100 HydrophobicContact CG2-CB 4.11Å; I98-C100 VanDerWaalsContact CG2-SG 3.51Å; I98-C100 PolarHBondContact O-N 2.92Å; I98-C100 VanDerWaalsContact O-N 3.16Å; I98-H108 HydrophobicContact CD1-CB 3.82Å; I98-H108 HydrophobicContact CG2-CB 4.27Å
99H95.9Very high94.4Very high111 Ų11154.7 Ų54.751%0.51431%0.309SS..EExtended strand (participates in β ladder)trans-82.292.2172.3179.6-141.8000109.2D73 L74D73-H99 PolarHBondContact O-CD2 2.89Å; L74-H99 PolarHBondContact O-CD2 2.97Å; L74-H99 PolarHBondContact O-NE2 3.25Å
100C94.1Very high94.2Very high12 Ų1257.7 Ų57.78%0.08133%0.325CS..SBendtrans-157.9159.6176.470.80000111.6D73 L74 I98 D104D73-C100 CarbonylContact C-O 3.1Å; D73-C100 PolarHBondContact O-N 2.93Å; D73-C100 VanDerWaalsContact O-O 3.07Å; L74-C100 PolarHBondContact N-O 2.84Å; I98-C100 HydrophobicContact CG2-CB 4.11Å; I98-C100 VanDerWaalsContact CG2-SG 3.51Å; I98-C100 PolarHBondContact O-N 2.92Å; I98-C100 VanDerWaalsContact O-N 3.16Å; C100-D104 HydrophobicContact CB-CB 4.47Å
101A93.1Very high94Very high12 Ų1258.1 Ų58.110%0.09931%0.314CS..  trans-69.8150.7169.300000110.2L74 Q103 D104 V105L74-A101 HydrophobicContact CD1-CB 4.23Å; A101-Q103 PolarHBondContact O-N 3.39Å; A101-Q103 VanDerWaalsContact O-N 3.1Å; A101-D104 PolarHBondContact O-N 3.25Å; A101-V105 PolarHBondContact O-N 3.37Å
102A92.8Very high93.9Very high8 Ų860.9 Ų60.97%0.06633%0.333CS..THydrogen-bonded Turntrans-60.4-24.7-18000000113A51 D104 V105 F118 V131A51-A102 HydrophobicContact CB-CB 4.21Å; A102-D104 VanDerWaalsContact C-N 3.28Å; A102-D104 PolarHBondContact O-N 2.64Å; A102-V105 VanDerWaalsContact O-CG1 3.23Å; A102-V105 WeakPolarHBondContact O-CG1 3.38Å; A102-F118 HydrophobicContact CB-CE2 3.94Å; A102-V131 HydrophobicContact CB-CG2 3.65Å
103Q92.1Very high94.1Very high39 Ų3959.3 Ų59.318%0.18232%0.321CS..THydrogen-bonded Turntrans-68.6-26.4175.5-60.989.6-31.400112.9D3 A101 V131 T134D3-Q103 PolarHBondContact OD2-NE2 2.89Å; A101-Q103 PolarHBondContact O-N 3.39Å; A101-Q103 VanDerWaalsContact O-N 3.1Å; Q103-V131 HydrophobicContact CG-CB 4.03Å; Q103-V131 HydrophobicContact CG-CG2 4.32Å; Q103-T134 WeakPolarHBondContact O-CG2 3.35Å; Q103-T134 PolarHBondContact O-OG1 3.49Å
104D93.6Very high94.2Very high93 Ų9352.3 Ų52.350%0.49728%0.284SS..THydrogen-bonded Turntrans-97.5-7.1-174.8-60.1-44.2000112.6C100 A101 A102 A106 S107C100-D104 HydrophobicContact CB-CB 4.47Å; A101-D104 PolarHBondContact O-N 3.25Å; A102-D104 VanDerWaalsContact C-N 3.28Å; A102-D104 PolarHBondContact O-N 2.64Å; D104-A106 PolarHBondContact O-N 3.08Å; D104-A106 VanDerWaalsContact O-N 3.11Å; D104-S107 PolarHBondContact O-N 2.97Å; D104-S107 VanDerWaalsContact O-N 3.08Å; D104-S107 PolarHBondContact O-OG 3.38Å
105V94Very high94.2Very high0 Ų050.1 Ų50.10%027%0.272CS..G310 helixtrans-58.2-30.8-17277.20000113.6L49 C72 A101 A102 S107 H108 L109 T134L49-V105 HydrophobicContact CD1-CG2 3.78Å; L49-V105 HydrophobicContact CD2-CG1 4.11Å; L49-V105 HydrophobicContact CD2-CG2 4.12Å; C72-V105 HydrophobicContact CB-CG2 4.35Å; A101-V105 PolarHBondContact O-N 3.37Å; A102-V105 VanDerWaalsContact O-CG1 3.23Å; A102-V105 WeakPolarHBondContact O-CG1 3.38Å; V105-S107 PolarHBondContact O-N 2.87Å; V105-H108 PolarHBondContact O-N 3.12Å; V105-L109 HydrophobicContact CG2-CD1 4.22Å; V105-L109 HydrophobicContact CG2-CG 4.39Å; V105-L109 PolarHBondContact O-N 2.87Å; V105-T134 HydrophobicContact CG1-CG2 4.06Å
106A93.1Very high94.2Very high44 Ų4449.1 Ų49.136%0.36427%0.268SS..G310 helixtrans-58.2-31.6179.400000112.7D104 H108 T134 V138D104-A106 PolarHBondContact O-N 3.08Å; D104-A106 VanDerWaalsContact O-N 3.11Å; A106-H108 PolarHBondContact O-N 2.97Å; A106-T134 HydrophobicContact CB-CG2 4.04Å; A106-V138 HydrophobicContact CB-CG1 3.62Å
107S93.1Very high94.3Very high99 Ų9944.7 Ų44.769%0.69225%0.247SC*.G310 helixtrans-72.4-14.8177.967.60000114.1D104 V105D104-S107 PolarHBondContact O-N 2.97Å; D104-S107 VanDerWaalsContact O-N 3.08Å; D104-S107 PolarHBondContact O-OG 3.38Å; V105-S107 PolarHBondContact O-N 2.87Å
108H93Very high94.2Very high87 Ų8742.7 Ų42.740%0.40324%0.238SC..G310 helixtrans-104-4.8-178.9-63.3-88.6000113.8I98 V105 A106I98-H108 HydrophobicContact CD1-CB 3.82Å; I98-H108 HydrophobicContact CG2-CB 4.27Å; V105-H108 PolarHBondContact O-N 3.12Å; A106-H108 PolarHBondContact O-N 2.97Å
109L92.8Very high94.1Very high23 Ų2343 Ų4312%0.1224%0.239CC..  trans-105.2117.7-178-65.1177.7000110.7L49 I70 V105 V113 V138L49-L109 HydrophobicContact CD2-CD1 4.33Å; I70-L109 HydrophobicContact CD1-CD2 3.39Å; I70-L109 HydrophobicContact CG2-CD2 4.26Å; V105-L109 HydrophobicContact CG2-CD1 4.22Å; V105-L109 HydrophobicContact CG2-CG 4.39Å; V105-L109 PolarHBondContact O-N 2.87Å; L109-V113 HydrophobicContact CD1-CG1 4.37Å; L109-V138 HydrophobicContact CD1-CB 3.79Å; L109-V138 HydrophobicContact CD1-CG1 3.96Å; L109-V138 HydrophobicContact CD1-CG2 4.17Å
110E88.8Confident93.7Very high193 Ų19338.9 Ų38.990%0.90222%0.224SC*.SBendtrans-75.9-25.4176.1-62.5-176.6170.300113
111T91.6Very high93.7Very high73 Ų7339.4 Ų39.445%0.44823%0.227SC..SBendtrans-143.4149.5-176.141.10000110.5R47R47-T111 VanDerWaalsContact NH1-C 3.34Å; R47-T111 PolarHBondContact NH1-O 2.98Å; R47-T111 PolarHBondContact NH1-OG1 3.36Å; R47-T111 PolarHBondContact NH2-OG1 3.32Å; R47-T111 VanDerWaalsContact NH2-OG1 3.08Å
112P94.6Very high93.7Very high71 Ų7138.8 Ų38.846%0.46122%0.222SC..  trans-60.7153.8177.5-23.233.6000113.7R47 V138 R140R47-P112 PolarHBondContact NH1-O 3.4Å; P112-V138 CarbonylContact C-O 3.56Å; P112-V138 WeakPolarHBondContact CA-O 3.34Å; P112-V138 WeakPolarHBondContact CB-O 3.33Å; P112-R140 HydrophobicContact CB-CB 4.12Å
113V97.2Very high93.6Very high0 Ų038.8 Ų38.80%022%0.221CC..EExtended strand (participates in β ladder)trans-97.9159178.7-63.30000112.1R47 L49 L109 I116 V138 L139 R140R47-V113 HydrophobicContact CB-CG1 4.45Å; L49-V113 HydrophobicContact CB-CB 4.44Å; L49-V113 HydrophobicContact CB-CG1 4.15Å; L49-V113 HydrophobicContact CB-CG2 4.01Å; L109-V113 HydrophobicContact CD1-CG1 4.37Å; V113-I116 HydrophobicContact CG2-CD1 4.03Å; V113-I116 HydrophobicContact CG2-CG1 3.52Å; V113-V138 PolarHBondContact N-O 2.81Å; V113-L139 HydrophobicContact CG2-CD1 4.31Å; V113-R140 WeakPolarHBondContact O-CG 3.48Å; V113-R140 PolarHBondContact O-N 3Å
114D96.4Very high93.5Very high21 Ų2138 Ų3811%0.11222%0.216CC..EExtended strand (participates in β ladder)trans-87.7-36.9-179.4-52.9-59.6000112M41 L46 R47 R140 G143 V144M41-D114 HydrophobicContact CE-CB 3.95Å; M41-D114 VanDerWaalsContact CE-O 3.31Å; M41-D114 WeakPolarHBondContact CE-O 3.31Å; L46-D114 WeakPolarHBondContact CA-OD2 3.44Å; L46-D114 HydrophobicContact CB-CB 4.27Å; L46-D114 HydrophobicContact CD2-CB 4.02Å; R47-D114 PolarHBondContact N-OD2 3.35Å; R47-D114 PolarHBondContact O-N 3.15Å; D114-R140 WeakPolarHBondContact OD1-CD 3.26Å; D114-R140 IonicContact OD1-CZ 3.63Å; D114-R140 IonicContact OD1-NE 3.93Å; D114-R140 PolarHBondContact OD1-NE 3.09Å; D114-R140 IonicContact OD1-NH1 3.36Å; D114-R140 PolarHBondContact OD1-NH1 2.84Å; D114-R140 IonicContact OD1-NH2 2.98Å; D114-G143 CarbonylContact O-C 3.5Å; D114-G143 WeakPolarHBondContact O-CA 3.48Å; D114-V144 PolarHBondContact O-N 3.36Å
115L96.3Very high93.4Very high0 Ų033.8 Ų33.80%019%0.193CC..EExtended strand (participates in β ladder)trans-136.3133.8-177.3174.963.4000109.7L38 M41 R47 V48 L49 M62 L117 V144L38-L115 HydrophobicContact CD2-CD2 4.2Å; M41-L115 HydrophobicContact CE-CB 4.46Å; M41-L115 HydrophobicContact SD-CB 4.48Å; R47-L115 PolarHBondContact O-N 2.78Å; V48-L115 CarbonylContact C-O 3.07Å; V48-L115 VanDerWaalsContact CA-O 3.29Å; V48-L115 WeakPolarHBondContact CA-O 3.28Å; V48-L115 HydrophobicContact CG1-CB 4.4Å; V48-L115 HydrophobicContact CG1-CD2 4.18Å; V48-L115 HydrophobicContact CG1-CG 4.21Å; V48-L115 HydrophobicContact CG2-CB 4.3Å; V48-L115 HydrophobicContact CG2-CD2 4.25Å; L49-L115 PolarHBondContact N-O 3.1Å; M62-L115 HydrophobicContact CE-CD2 3.89Å; L115-L117 HydrophobicContact CD1-CD2 4.31Å; L115-L117 HydrophobicContact CD2-CD2 4.04Å; L115-L117 HydrophobicContact CG-CD2 4.04Å; L115-V144 CarbonylContact C-O 3.57Å; L115-V144 WeakPolarHBondContact CA-O 3.47Å; L115-V144 HydrophobicContact CD1-CB 4.01Å; L115-V144 HydrophobicContact CD1-CG1 4.23Å; L115-V144 WeakPolarHBondContact CD1-O 3.43Å
116I97.3Very high93.2Very high0 Ų035 Ų350%020%0.203CC..EExtended strand (participates in β ladder)trans-113.3130171.2-62.7169.3000108.6L49 V113 L135 V138 L139 V144 L145 S146L49-I116 HydrophobicContact CB-CG1 4.23Å; L49-I116 HydrophobicContact CD2-CG1 4.3Å; L49-I116 HydrophobicContact CD2-CG2 4.43Å; L49-I116 CarbonylContact O-C 3.58Å; L49-I116 WeakPolarHBondContact O-CA 3.48Å; V113-I116 HydrophobicContact CG2-CD1 4.03Å; V113-I116 HydrophobicContact CG2-CG1 3.52Å; I116-L135 HydrophobicContact CD1-CB 4.09Å; I116-L135 HydrophobicContact CD1-CD2 4.45Å; I116-L135 WeakPolarHBondContact CD1-O 3.39Å; I116-L135 HydrophobicContact CG2-CD1 4.23Å; I116-L135 HydrophobicContact CG2-CD2 3.99Å; I116-L135 HydrophobicContact CG2-CG 4.5Å; I116-V138 HydrophobicContact CD1-CG2 3.94Å; I116-L139 HydrophobicContact CD1-CB 3.88Å; I116-L139 HydrophobicContact CD1-CD1 3.79Å; I116-L139 HydrophobicContact CD1-CG 4.32Å; I116-L139 HydrophobicContact CG1-CD1 3.84Å; I116-V144 PolarHBondContact N-O 3.21Å; I116-L145 HydrophobicContact CB-CD1 3.76Å; I116-L145 HydrophobicContact CG2-CD1 3.49Å; I116-L145 VanDerWaalsContact CG2-CD1 3.49Å; I116-S146 PolarHBondContact O-N 2.9Å
117L96.7Very high93.1Very high0 Ų036.9 Ų36.90%021%0.207CC..EExtended strand (participates in β ladder)trans-101.9123.4167.7-48.1178.3000107.5L34 V48 L49 D50 A51 T58 M62 L115L34-L117 HydrophobicContact CD2-CD2 3.88Å; V48-L117 HydrophobicContact CG1-CD1 3.92Å; V48-L117 HydrophobicContact CG1-CG 3.88Å; L49-L117 PolarHBondContact O-N 3.01Å; D50-L117 HydrophobicContact CB-CB 4.46Å; D50-L117 HydrophobicContact CB-CD1 4.39Å; A51-L117 PolarHBondContact N-O 3.18Å; T58-L117 HydrophobicContact CG2-CD1 3.67Å; M62-L117 HydrophobicContact CE-CD1 4.46Å; M62-L117 HydrophobicContact CE-CD2 4.35Å; M62-L117 HydrophobicContact CG-CD1 4.26Å; L115-L117 HydrophobicContact CD1-CD2 4.31Å; L115-L117 HydrophobicContact CD2-CD2 4.04Å; L115-L117 HydrophobicContact CG-CD2 4.04Å
118F95.7Very high93.1Very high0 Ų032.6 Ų32.60%018%0.177CC..EExtended strand (participates in β ladder)trans-133.682.6176.1-161.7-128.4000108.9A51 A102 V121 L122 V125 V131 L135 L145 S146 L147 M148A51-F118 HydrophobicContact CB-CD2 3.71Å; A51-F118 HydrophobicContact CB-CE2 4.17Å; A51-F118 WeakPolarHBondContact O-CD2 3.27Å; A102-F118 HydrophobicContact CB-CE2 3.94Å; F118-V121 HydrophobicContact CD2-CB 4.1Å; F118-V121 HydrophobicContact CD2-CG1 4.41Å; F118-V121 HydrophobicContact CD2-CG2 4.39Å; F118-V121 HydrophobicContact CE1-CB 4.45Å; F118-V121 HydrophobicContact CE2-CB 3.58Å; F118-V121 HydrophobicContact CE2-CG1 3.47Å; F118-V121 VanDerWaalsContact CE2-CG1 3.47Å; F118-V121 HydrophobicContact CE2-CG2 4.2Å; F118-V121 HydrophobicContact CZ-CB 3.77Å; F118-V121 HydrophobicContact CZ-CG1 3.63Å; F118-L122 HydrophobicContact CD1-CB 4.47Å; F118-L122 HydrophobicContact CE1-CB 3.95Å; F118-L122 HydrophobicContact CE1-CD1 3.76Å; F118-L122 HydrophobicContact CE1-CG 4.46Å; F118-V125 HydrophobicContact CZ-CG2 4.38Å; F118-V131 HydrophobicContact CE1-CG1 4.06Å; F118-V131 HydrophobicContact CE1-CG2 4.37Å; F118-V131 HydrophobicContact CE2-CG2 4.29Å; F118-V131 HydrophobicContact CZ-CG1 4.09Å; F118-V131 HydrophobicContact CZ-CG2 3.8Å; F118-L135 HydrophobicContact CB-CD1 4.04Å; F118-L135 HydrophobicContact CD1-CD1 3.83Å; F118-L135 HydrophobicContact CD2-CD1 3.93Å; F118-L135 HydrophobicContact CE1-CD1 4.26Å; F118-L135 HydrophobicContact CE2-CD1 4.37Å; F118-L135 HydrophobicContact CG-CD1 3.67Å; F118-L145 HydrophobicContact CB-CD1 3.97Å; F118-S146 PolarHBondContact N-O 3.36Å; F118-L147 HydrophobicContact CB-CD1 4.11Å; F118-L147 HydrophobicContact CD1-CD1 3.56Å; F118-L147 HydrophobicContact CG-CD1 4.28Å; F118-M148 PolarHBondContact O-N 3.04Å
119H93.3Very high93Very high18 Ų1834 Ų348%0.08318%0.179CC..EExtended strand (participates in β ladder)trans-116.3115.5-162.7-67.5167.5000112.6V121 S146 M148H119-V121 VanDerWaalsContact C-N 3.27Å; H119-V121 WeakPolarHBondContact O-CG2 3.39Å; H119-V121 PolarHBondContact O-N 3.33Å; H119-S146 PolarHBondContact CD2-O 3.07Å; H119-S146 VanDerWaalsContact CD2-O 3.28Å; H119-S146 WeakPolarHBondContact NE2-CB 3.42Å; H119-S146 PolarHBondContact NE2-O 3.43Å; H119-S146 PolarHBondContact NE2-OG 2.92Å; H119-M148 HydrophobicContact CB-CB 4.38Å; H119-M148 HydrophobicContact CB-CE 4.03Å
120A89.2Confident93Very high24 Ų2435 Ų3520%0.19819%0.188CC..SBendtrans59.732-179.900000114.7E123 W124 M148A120-E123 VanDerWaalsContact C-OE2 3.24Å; A120-E123 VanDerWaalsContact CA-OE1 3.24Å; A120-E123 WeakPolarHBondContact CA-OE1 3.42Å; A120-E123 WeakPolarHBondContact CA-OE2 3.49Å; A120-E123 WeakPolarHBondContact CB-OE1 3.27Å; A120-W124 PolarHBondContact O-NE1 3.01Å; A120-M148 HydrophobicContact CB-CE 4.09Å; A120-M148 PolarHBondContact N-O 2.68Å
121V92.6Very high93.2Very high22 Ų2225.8 Ų25.813%0.13315%0.145CC..  trans-110.9-38.8-179.4-175.40000112.1G52 F118 H119 E123 W124 V125G52-V121 WeakPolarHBondContact O-CG2 3.45Å; F118-V121 HydrophobicContact CD2-CB 4.1Å; F118-V121 HydrophobicContact CD2-CG1 4.41Å; F118-V121 HydrophobicContact CD2-CG2 4.39Å; F118-V121 HydrophobicContact CE1-CB 4.45Å; F118-V121 HydrophobicContact CE2-CB 3.58Å; F118-V121 HydrophobicContact CE2-CG1 3.47Å; F118-V121 VanDerWaalsContact CE2-CG1 3.47Å; F118-V121 HydrophobicContact CE2-CG2 4.2Å; F118-V121 HydrophobicContact CZ-CB 3.77Å; F118-V121 HydrophobicContact CZ-CG1 3.63Å; H119-V121 VanDerWaalsContact C-N 3.27Å; H119-V121 WeakPolarHBondContact O-CG2 3.39Å; H119-V121 PolarHBondContact O-N 3.33Å; V121-E123 PolarHBondContact N-OE2 3.1Å; V121-E123 PolarHBondContact O-N 3.15Å; V121-W124 WeakPolarHBondContact O-CB 3.36Å; V121-W124 PolarHBondContact O-N 3.2Å; V121-V125 HydrophobicContact CG1-CG2 4.1Å; V121-V125 PolarHBondContact O-N 3.38Å
122L93.3Very high93.3Very high0 Ų022.4 Ų22.40%012%0.124CC..THydrogen-bonded Turntrans-57.1-28.7-172.7-169.472000112.7F118 W124 P128 V131 L132 L147 F149 R186 V191F118-L122 HydrophobicContact CD1-CB 4.47Å; F118-L122 HydrophobicContact CE1-CB 3.95Å; F118-L122 HydrophobicContact CE1-CD1 3.76Å; F118-L122 HydrophobicContact CE1-CG 4.46Å; L122-W124 PolarHBondContact O-N 3.17Å; L122-P128 HydrophobicContact CD1-CB 3.54Å; L122-P128 HydrophobicContact CG-CB 4.2Å; L122-V131 HydrophobicContact CD1-CG1 4.1Å; L122-L132 HydrophobicContact CD1-CG 4.4Å; L122-L147 HydrophobicContact CD2-CD1 4.44Å; L122-F149 HydrophobicContact CB-CB 3.98Å; L122-F149 HydrophobicContact CD2-CB 4.19Å; L122-F149 HydrophobicContact CD2-CD1 4.05Å; L122-F149 HydrophobicContact CD2-CG 4.19Å; L122-R186 HydrophobicContact CD2-CG 4.15Å; L122-R186 HydrophobicContact CG-CG 4.27Å; L122-R186 PolarHBondContact O-NE 3.26Å; L122-R186 PolarHBondContact O-NH2 2.85Å; L122-V191 HydrophobicContact CD2-CG1 4.03Å; L122-V191 HydrophobicContact CD2-CG2 3.95Å
123E91.3Very high93.2Very high8 Ų825 Ų254%0.03713%0.13CC..THydrogen-bonded Turntrans-75.1-6.6177.366.3-97.5-135.800115.1A120 V121 F149 Y150 P182 Y184A120-E123 VanDerWaalsContact C-OE2 3.24Å; A120-E123 VanDerWaalsContact CA-OE1 3.24Å; A120-E123 WeakPolarHBondContact CA-OE1 3.42Å; A120-E123 WeakPolarHBondContact CA-OE2 3.49Å; A120-E123 WeakPolarHBondContact CB-OE1 3.27Å; V121-E123 PolarHBondContact N-OE2 3.1Å; V121-E123 PolarHBondContact O-N 3.15Å; E123-F149 WeakPolarHBondContact OE2-CA 3.4Å; E123-Y150 PolarHBondContact OE1-N 2.83Å; E123-Y150 PolarHBondContact OE2-N 2.99Å; E123-P182 HydrophobicContact CB-CB 3.7Å; E123-P182 HydrophobicContact CB-CG 4.19Å; E123-P182 HydrophobicContact CG-CB 3.66Å; E123-P182 HydrophobicContact CG-CG 3.8Å; E123-Y184 VanDerWaalsContact CA-O 3.23Å; E123-Y184 WeakPolarHBondContact CA-O 3.39Å; E123-Y184 WeakPolarHBondContact CB-O 3.48Å; E123-Y184 CarbonylContact O-C 3.45Å; E123-Y184 WeakPolarHBondContact O-CA 3.5Å; E123-Y184 PolarHBondContact O-N 2.86Å
124W90.1Very high93.1Very high22 Ų2226 Ų268%0.08314%0.136CC..THydrogen-bonded Turntrans-110.5-10178.1-56.3107.8000113.2R4 F6 A120 V121 L122 S181 P182R4-W124 HydrophobicContact CB-CB 4.15Å; R4-W124 HydrophobicContact CB-CD2 4.39Å; R4-W124 HydrophobicContact CB-CE3 3.73Å; R4-W124 HydrophobicContact CG-CE3 3.75Å; R4-W124 HydrophobicContact CG-CZ3 4.09Å; R4-W124 PolarHBondContact N-O 2.74Å; F6-W124 HydrophobicContact CE1-CZ2 4.45Å; F6-W124 AromaticContact CE2-CD2 3.9Å; F6-W124 HydrophobicContact CE2-CD2 3.9Å; F6-W124 HydrophobicContact CE2-CE3 4.17Å; F6-W124 HydrophobicContact CE2-CG 4.11Å; F6-W124 AromaticContact CZ-CD2 3.74Å; F6-W124 HydrophobicContact CZ-CD2 3.74Å; F6-W124 AromaticContact CZ-CE2 3.54Å; F6-W124 HydrophobicContact CZ-CE3 4.06Å; F6-W124 HydrophobicContact CZ-CG 4.27Å; F6-W124 AromaticContact CZ-CH2 3.94Å; F6-W124 HydrophobicContact CZ-CH2 3.94Å; F6-W124 AromaticContact CZ-CZ2 3.68Å; F6-W124 HydrophobicContact CZ-CZ2 3.68Å; F6-W124 HydrophobicContact CZ-CZ3 4.13Å; F6-W124 AromaticContact CZ-NE1 3.95Å; A120-W124 PolarHBondContact O-NE1 3.01Å; V121-W124 WeakPolarHBondContact O-CB 3.36Å; V121-W124 PolarHBondContact O-N 3.2Å; L122-W124 PolarHBondContact O-N 3.17Å; W124-S181 WeakPolarHBondContact CH2-O 3.25Å; W124-P182 VanDerWaalsContact CH2-CA 3.41Å; W124-P182 HydrophobicContact CH2-CB 4.37Å; W124-P182 HydrophobicContact CZ2-CB 4.23Å; W124-P182 HydrophobicContact CZ2-CG 4.17Å
125V91.1Very high93Very high4 Ų425 Ų252%0.02413%0.131CC..  trans-87.1130.8-177.8175.30000110.7D3 F118 V121 D127 V131 Y184 R186D3-V125 WeakPolarHBondContact OD1-CA 3.12Å; F118-V125 HydrophobicContact CZ-CG2 4.38Å; V121-V125 HydrophobicContact CG1-CG2 4.1Å; V121-V125 PolarHBondContact O-N 3.38Å; V125-D127 WeakPolarHBondContact CG1-O 3.05Å; V125-V131 HydrophobicContact CG1-CB 4.47Å; V125-V131 HydrophobicContact CG1-CG1 4.08Å; V125-Y184 WeakPolarHBondContact O-CD2 3.33Å; V125-R186 PolarHBondContact O-NH2 2.96Å
126A89.7Confident92.9Very high25 Ų2530.6 Ų30.621%0.20715%0.152CC..SBendtrans-69-39.6178.200000112.8M1 D3 P128M1-A126 HydrophobicContact CB-CB 3.52Å; D3-A126 WeakPolarHBondContact OD1-CB 3.33Å; D3-A126 PolarHBondContact OD1-N 3.07Å; A126-P128 WeakPolarHBondContact O-CD 3.45Å
127D91.3Very high92.7Very high84 Ų8434.3 Ų34.345%0.44918%0.178SC..  trans-117.785.6179.6-170.9-10.1000111.7V125 R129 S130 V131V125-D127 WeakPolarHBondContact CG1-O 3.05Å; D127-R129 VanDerWaalsContact C-N 3.27Å; D127-R129 PolarHBondContact O-N 3.42Å; D127-R129 PolarHBondContact OD1-N 2.91Å; D127-S130 VanDerWaalsContact CG-CB 3.46Å; D127-S130 PolarHBondContact OD1-N 3.24Å; D127-S130 WeakPolarHBondContact OD2-CB 3.49Å; D127-V131 PolarHBondContact O-N 3.5Å
128P92.4Very high92.6Very high10 Ų1034.8 Ų34.87%0.06518%0.181CC..Hα-helixtrans-66.8-26-177.327.1-35.8000113.2L122 A126 V131 L132 W194L122-P128 HydrophobicContact CD1-CB 3.54Å; L122-P128 HydrophobicContact CG-CB 4.2Å; A126-P128 WeakPolarHBondContact O-CD 3.45Å; P128-V131 VanDerWaalsContact O-CG1 3.29Å; P128-V131 WeakPolarHBondContact O-CG1 3.07Å; P128-L132 WeakPolarHBondContact O-CB 3.43Å; P128-L132 WeakPolarHBondContact O-CD1 3.21Å; P128-L132 WeakPolarHBondContact O-CG 3.42Å; P128-L132 PolarHBondContact O-N 3.05Å; P128-W194 HydrophobicContact CB-CE3 4.18Å; P128-W194 HydrophobicContact CB-CH2 4.26Å; P128-W194 HydrophobicContact CB-CZ3 3.68Å; P128-W194 HydrophobicContact CG-CE3 4.17Å; P128-W194 HydrophobicContact CG-CH2 3.48Å; P128-W194 VanDerWaalsContact CG-CH2 3.48Å; P128-W194 HydrophobicContact CG-CZ2 4.25Å; P128-W194 HydrophobicContact CG-CZ3 3.43Å; P128-W194 VanDerWaalsContact CG-CZ3 3.43Å
129R92.3Very high92.6Very high116 Ų11635.8 Ų35.844%0.43819%0.186SC..Hα-helixtrans-71.7-45.6-179.5-78.5178.7157.6167.1-6.3110.9D127 V131 L132 Q133 W194 E197D127-R129 VanDerWaalsContact C-N 3.27Å; D127-R129 PolarHBondContact O-N 3.42Å; D127-R129 PolarHBondContact OD1-N 2.91Å; R129-V131 PolarHBondContact O-N 2.96Å; R129-L132 PolarHBondContact O-N 3.49Å; R129-Q133 WeakPolarHBondContact O-CG 3.5Å; R129-Q133 PolarHBondContact O-N 3.47Å; R129-W194 HydrophobicContact CG-CD2 4.04Å; R129-W194 HydrophobicContact CG-CG 3.94Å; R129-E197 IonicContact CZ-OE2 3.88Å; R129-E197 IonicContact NH2-OE2 2.84Å; R129-E197 PolarHBondContact NH2-OE2 3.42Å
130S91.6Very high92.7Very high43 Ų4338.9 Ų38.930%0.30120%0.197SC..Hα-helixtrans-58.3-48.4178.4179.20000111.5D127 L132 Q133 T134D127-S130 VanDerWaalsContact CG-CB 3.46Å; D127-S130 PolarHBondContact OD1-N 3.24Å; D127-S130 WeakPolarHBondContact OD2-CB 3.49Å; S130-L132 PolarHBondContact O-N 3.16Å; S130-Q133 WeakPolarHBondContact O-CB 3.4Å; S130-Q133 PolarHBondContact O-N 3.37Å; S130-T134 PolarHBondContact O-N 2.89Å; S130-T134 PolarHBondContact O-OG1 2.94Å
131V93.8Very high92.7Very high0 Ų044 Ų440%023%0.228CC..Hα-helixtrans-63.7-41.3178.870.80000112.3A102 Q103 F118 L122 V125 D127 P128 R129 Q133 T134 L135A102-V131 HydrophobicContact CB-CG2 3.65Å; Q103-V131 HydrophobicContact CG-CB 4.03Å; Q103-V131 HydrophobicContact CG-CG2 4.32Å; F118-V131 HydrophobicContact CE1-CG1 4.06Å; F118-V131 HydrophobicContact CE1-CG2 4.37Å; F118-V131 HydrophobicContact CE2-CG2 4.29Å; F118-V131 HydrophobicContact CZ-CG1 4.09Å; F118-V131 HydrophobicContact CZ-CG2 3.8Å; L122-V131 HydrophobicContact CD1-CG1 4.1Å; V125-V131 HydrophobicContact CG1-CB 4.47Å; V125-V131 HydrophobicContact CG1-CG1 4.08Å; D127-V131 PolarHBondContact O-N 3.5Å; P128-V131 VanDerWaalsContact O-CG1 3.29Å; P128-V131 WeakPolarHBondContact O-CG1 3.07Å; R129-V131 PolarHBondContact O-N 2.96Å; V131-Q133 VanDerWaalsContact C-N 3.28Å; V131-Q133 PolarHBondContact O-N 3.35Å; V131-T134 PolarHBondContact O-N 3.07Å; V131-L135 HydrophobicContact CG2-CD1 4.42Å; V131-L135 HydrophobicContact CG2-CG 4.37Å; V131-L135 VanDerWaalsContact O-CG 3.3Å; V131-L135 WeakPolarHBondContact O-CG 3.46Å; V131-L135 PolarHBondContact O-N 2.94Å
132L94Very high92.5Very high2 Ų246.4 Ų46.41%0.0126%0.258CS..Hα-helixtrans-63.4-33.7177.3-71173000112.3L122 P128 R129 S130 W136 L145 W194 L195L122-L132 HydrophobicContact CD1-CG 4.4Å; P128-L132 WeakPolarHBondContact O-CB 3.43Å; P128-L132 WeakPolarHBondContact O-CD1 3.21Å; P128-L132 WeakPolarHBondContact O-CG 3.42Å; P128-L132 PolarHBondContact O-N 3.05Å; R129-L132 PolarHBondContact O-N 3.49Å; S130-L132 PolarHBondContact O-N 3.16Å; L132-W136 WeakPolarHBondContact O-CB 3.5Å; L132-W136 PolarHBondContact O-N 2.58Å; L132-L145 HydrophobicContact CD2-CD2 4.36Å; L132-W194 HydrophobicContact CD1-CB 4.23Å; L132-W194 HydrophobicContact CD1-CE3 4.46Å; L132-L195 HydrophobicContact CD1-CD2 4.22Å; L132-L195 HydrophobicContact CD2-CD2 4Å
133Q92.3Very high92.4Very high125 Ų12547.2 Ų47.258%0.58427%0.266SS*.Hα-helixtrans-70.2-41.7172.6-73.5177.7-6.500112.2R129 S130 V131 W136 S137R129-Q133 WeakPolarHBondContact O-CG 3.5Å; R129-Q133 PolarHBondContact O-N 3.47Å; S130-Q133 WeakPolarHBondContact O-CB 3.4Å; S130-Q133 PolarHBondContact O-N 3.37Å; V131-Q133 VanDerWaalsContact C-N 3.28Å; V131-Q133 PolarHBondContact O-N 3.35Å; Q133-W136 WeakPolarHBondContact O-CB 3.45Å; Q133-W136 PolarHBondContact O-N 2.86Å; Q133-S137 PolarHBondContact O-N 3.32Å
134T93.8Very high92.5Very high22 Ų2248.2 Ų48.214%0.13527%0.272CS..Hα-helixtrans-59.3-48.5173.6-61.60000110.6Q103 V105 A106 S130 V131 W136 S137 V138Q103-T134 WeakPolarHBondContact O-CG2 3.35Å; Q103-T134 PolarHBondContact O-OG1 3.49Å; V105-T134 HydrophobicContact CG1-CG2 4.06Å; A106-T134 HydrophobicContact CB-CG2 4.04Å; S130-T134 PolarHBondContact O-N 2.89Å; S130-T134 PolarHBondContact O-OG1 2.94Å; V131-T134 PolarHBondContact O-N 3.07Å; T134-W136 VanDerWaalsContact C-N 3.3Å; T134-W136 PolarHBondContact O-N 3.21Å; T134-S137 PolarHBondContact O-N 3.29Å; T134-S137 PolarHBondContact O-OG 3.35Å; T134-V138 PolarHBondContact O-N 3.26Å
135L95.1Very high92.7Very high0 Ų048.4 Ų48.40%028%0.275CS..Hα-helixtrans-61.5-38.4178.6-66.2-178.8000112.1L49 A51 I116 F118 V131 S137 V138 L139 L145L49-L135 HydrophobicContact CD2-CD2 4.06Å; A51-L135 HydrophobicContact CB-CD2 3.96Å; I116-L135 HydrophobicContact CD1-CB 4.09Å; I116-L135 HydrophobicContact CD1-CD2 4.45Å; I116-L135 WeakPolarHBondContact CD1-O 3.39Å; I116-L135 HydrophobicContact CG2-CD1 4.23Å; I116-L135 HydrophobicContact CG2-CD2 3.99Å; I116-L135 HydrophobicContact CG2-CG 4.5Å; F118-L135 HydrophobicContact CB-CD1 4.04Å; F118-L135 HydrophobicContact CD1-CD1 3.83Å; F118-L135 HydrophobicContact CD2-CD1 3.93Å; F118-L135 HydrophobicContact CE1-CD1 4.26Å; F118-L135 HydrophobicContact CE2-CD1 4.37Å; F118-L135 HydrophobicContact CG-CD1 3.67Å; V131-L135 HydrophobicContact CG2-CD1 4.42Å; V131-L135 HydrophobicContact CG2-CG 4.37Å; V131-L135 VanDerWaalsContact O-CG 3.3Å; V131-L135 WeakPolarHBondContact O-CG 3.46Å; V131-L135 PolarHBondContact O-N 2.94Å; L135-S137 VanDerWaalsContact C-N 3.34Å; L135-S137 PolarHBondContact O-N 3.46Å; L135-V138 WeakPolarHBondContact O-CG2 3.43Å; L135-V138 PolarHBondContact O-N 3.35Å; L135-L139 PolarHBondContact O-N 3.47Å; L135-L145 HydrophobicContact CD1-CD1 4.36Å
136W93.7Very high92.8Very high117 Ų11749.4 Ų49.444%0.44328%0.282SS..Hα-helixtrans-59.9-43.5172.1176.9-94.9000112.1L132 Q133 T134 V138 L139 G199 W200L132-W136 WeakPolarHBondContact O-CB 3.5Å; L132-W136 PolarHBondContact O-N 2.58Å; Q133-W136 WeakPolarHBondContact O-CB 3.45Å; Q133-W136 PolarHBondContact O-N 2.86Å; T134-W136 VanDerWaalsContact C-N 3.3Å; T134-W136 PolarHBondContact O-N 3.21Å; W136-V138 VanDerWaalsContact C-N 3.27Å; W136-V138 PolarHBondContact O-N 2.86Å; W136-L139 PolarHBondContact O-N 3.27Å; W136-G199 VanDerWaalsContact CH2-O 3.26Å; W136-G199 WeakPolarHBondContact CH2-O 3.31Å; W136-W200 HydrophobicContact CB-CH2 4.49Å; W136-W200 HydrophobicContact CB-CZ2 3.7Å; W136-W200 HydrophobicContact CD2-CZ2 4.37Å; W136-W200 AromaticContact CE3-CD2 3.46Å; W136-W200 HydrophobicContact CE3-CD2 3.46Å; W136-W200 VanDerWaalsContact CE3-CD2 3.46Å; W136-W200 AromaticContact CE3-CE2 3.38Å; W136-W200 AromaticContact CE3-CE3 3.77Å; W136-W200 HydrophobicContact CE3-CE3 3.77Å; W136-W200 AromaticContact CE3-CG 3.97Å; W136-W200 HydrophobicContact CE3-CG 3.97Å; W136-W200 AromaticContact CE3-CH2 3.91Å; W136-W200 HydrophobicContact CE3-CH2 3.91Å; W136-W200 AromaticContact CE3-CZ2 3.64Å; W136-W200 HydrophobicContact CE3-CZ2 3.64Å; W136-W200 AromaticContact CE3-CZ3 3.97Å; W136-W200 HydrophobicContact CE3-CZ3 3.97Å; W136-W200 AromaticContact CE3-NE1 3.75Å; W136-W200 HydrophobicContact CG-CZ2 4.45Å; W136-W200 HydrophobicContact CZ3-CB 4.45Å; W136-W200 AromaticContact CZ3-CD2 3.7Å; W136-W200 HydrophobicContact CZ3-CD2 3.7Å; W136-W200 AromaticContact CZ3-CE3 3.82Å; W136-W200 HydrophobicContact CZ3-CE3 3.82Å; W136-W200 AromaticContact CZ3-CG 3.97Å; W136-W200 HydrophobicContact CZ3-CG 3.97Å; W136-W200 HydrophobicContact CZ3-CZ3 4.31Å
137S93.3Very high93Very high78 Ų7850.2 Ų50.255%0.54528%0.283SS..Hα-helixtrans-66.9-25.2-176.375.80000114.4Q133 T134 L135Q133-S137 PolarHBondContact O-N 3.32Å; T134-S137 PolarHBondContact O-N 3.29Å; T134-S137 PolarHBondContact O-OG 3.35Å; L135-S137 VanDerWaalsContact C-N 3.34Å; L135-S137 PolarHBondContact O-N 3.46Å
138V95.3Very high92.9Very high10 Ų1048.8 Ų48.86%0.06127%0.274CS..Hα-helixtrans-97.4-4.6-179-57.90000113L49 A106 L109 P112 V113 I116 T134 L135 W136L49-V138 HydrophobicContact CD2-CG2 4.14Å; A106-V138 HydrophobicContact CB-CG1 3.62Å; L109-V138 HydrophobicContact CD1-CB 3.79Å; L109-V138 HydrophobicContact CD1-CG1 3.96Å; L109-V138 HydrophobicContact CD1-CG2 4.17Å; P112-V138 CarbonylContact C-O 3.56Å; P112-V138 WeakPolarHBondContact CA-O 3.34Å; P112-V138 WeakPolarHBondContact CB-O 3.33Å; V113-V138 PolarHBondContact N-O 2.81Å; I116-V138 HydrophobicContact CD1-CG2 3.94Å; T134-V138 PolarHBondContact O-N 3.26Å; L135-V138 WeakPolarHBondContact O-CG2 3.43Å; L135-V138 PolarHBondContact O-N 3.35Å; W136-V138 VanDerWaalsContact C-N 3.27Å; W136-V138 PolarHBondContact O-N 2.86Å
139L95.4Very high92.9Very high21 Ų2150 Ų5011%0.1128%0.279CS..EExtended strand (participates in β ladder)trans-87.9137.7178.7-16869.4000110.5V113 I116 L135 W136 W200V113-L139 HydrophobicContact CG2-CD1 4.31Å; I116-L139 HydrophobicContact CD1-CB 3.88Å; I116-L139 HydrophobicContact CD1-CD1 3.79Å; I116-L139 HydrophobicContact CD1-CG 4.32Å; I116-L139 HydrophobicContact CG1-CD1 3.84Å; L135-L139 PolarHBondContact O-N 3.47Å; W136-L139 PolarHBondContact O-N 3.27Å; L139-W200 HydrophobicContact CD2-CH2 3.56Å; L139-W200 HydrophobicContact CD2-CZ3 3.39Å
140R94.3Very high92.7Very high84 Ų8448.9 Ų48.932%0.31728%0.275SS..EExtended strand (participates in β ladder)trans-67.6156.2172.475176.2-175.8171.79.7111.5P112 V113 D114 G142 G143P112-R140 HydrophobicContact CB-CB 4.12Å; V113-R140 WeakPolarHBondContact O-CG 3.48Å; V113-R140 PolarHBondContact O-N 3Å; D114-R140 WeakPolarHBondContact OD1-CD 3.26Å; D114-R140 IonicContact OD1-CZ 3.63Å; D114-R140 IonicContact OD1-NE 3.93Å; D114-R140 PolarHBondContact OD1-NE 3.09Å; D114-R140 IonicContact OD1-NH1 3.36Å; D114-R140 PolarHBondContact OD1-NH1 2.84Å; D114-R140 IonicContact OD1-NH2 2.98Å; R140-G142 PolarHBondContact O-N 3.15Å; R140-G143 PolarHBondContact O-N 2.98Å
141P90.1Very high92.6Very high131 Ų13149 Ų4985%0.85127%0.272SS*.EExtended strand (participates in β ladder)trans-55.1127.4165.7-24.434.5000111.6G143P141-G143 VanDerWaalsContact C-N 3.27Å; P141-G143 PolarHBondContact O-N 2.98Å
142G87.8Confident92.4Very high73 Ų7350.2 Ų50.275%0.75328%0.282SS*.EExtended strand (participates in β ladder)trans76.77.4-17500000114.8R140R140-G142 PolarHBondContact O-N 3.15Å
143G92.5Very high92.2Very high17 Ų1754.3 Ų54.318%0.17530%0.301CS..EExtended strand (participates in β ladder)trans-71.4168.6167.500000112.2D114 R140 P141D114-G143 CarbonylContact O-C 3.5Å; D114-G143 WeakPolarHBondContact O-CA 3.48Å; R140-G143 PolarHBondContact O-N 2.98Å; P141-G143 VanDerWaalsContact C-N 3.27Å; P141-G143 PolarHBondContact O-N 2.98Å
144V93.5Very high91.9Very high28 Ų2850.2 Ų50.217%0.1729%0.292CS..EExtended strand (participates in β ladder)trans-120.7140.4-177.1-1790000110.8V37 M41 D114 L115 I116V37-V144 HydrophobicContact CG1-CB 4.19Å; V37-V144 HydrophobicContact CG1-CG1 3.85Å; V37-V144 HydrophobicContact CG1-CG2 4.2Å; M41-V144 HydrophobicContact CG-CG2 4.46Å; M41-V144 HydrophobicContact SD-CB 4.38Å; M41-V144 HydrophobicContact SD-CG2 4.09Å; D114-V144 PolarHBondContact O-N 3.36Å; L115-V144 CarbonylContact C-O 3.57Å; L115-V144 WeakPolarHBondContact CA-O 3.47Å; L115-V144 HydrophobicContact CD1-CB 4.01Å; L115-V144 HydrophobicContact CD1-CG1 4.23Å; L115-V144 WeakPolarHBondContact CD1-O 3.43Å; I116-V144 PolarHBondContact N-O 3.21Å
145L94.2Very high91.6Very high27 Ų2750.6 Ų50.614%0.14129%0.293CS..EExtended strand (participates in β ladder)trans-106.2119.4165.8170.565.4000109I116 F118 L132 L135 L147 L195 W200I116-L145 HydrophobicContact CB-CD1 3.76Å; I116-L145 HydrophobicContact CG2-CD1 3.49Å; I116-L145 VanDerWaalsContact CG2-CD1 3.49Å; F118-L145 HydrophobicContact CB-CD1 3.97Å; L132-L145 HydrophobicContact CD2-CD2 4.36Å; L135-L145 HydrophobicContact CD1-CD1 4.36Å; L145-L147 HydrophobicContact CD2-CB 4.43Å; L145-L147 HydrophobicContact CG-CB 4.26Å; L145-L195 HydrophobicContact CD2-CD2 4.4Å; L145-W200 HydrophobicContact CB-CE3 4.07Å; L145-W200 HydrophobicContact CB-CH2 3.58Å; L145-W200 HydrophobicContact CB-CZ2 4.42Å; L145-W200 HydrophobicContact CB-CZ3 3.37Å; L145-W200 HydrophobicContact CD2-CD2 4.36Å; L145-W200 HydrophobicContact CD2-CE3 4.35Å; L145-W200 HydrophobicContact CD2-CH2 3.75Å; L145-W200 HydrophobicContact CD2-CZ2 3.73Å; L145-W200 HydrophobicContact CD2-CZ3 4.07Å; L145-W200 HydrophobicContact CG-CH2 4.24Å; L145-W200 HydrophobicContact CG-CZ3 4.35Å
146S93.5Very high91.2Very high25 Ų2553.6 Ų53.618%0.17531%0.309CS..EExtended strand (participates in β ladder)trans-92.9108.3167-175.60000109I116 F118 H119I116-S146 PolarHBondContact O-N 2.9Å; F118-S146 PolarHBondContact N-O 3.36Å; H119-S146 PolarHBondContact CD2-O 3.07Å; H119-S146 VanDerWaalsContact CD2-O 3.28Å; H119-S146 WeakPolarHBondContact NE2-CB 3.42Å; H119-S146 PolarHBondContact NE2-O 3.43Å; H119-S146 PolarHBondContact NE2-OG 2.92Å
147L92.4Very high90.9Very high42 Ų4254.3 Ų54.322%0.2232%0.319CS..EExtended strand (participates in β ladder)trans-111.8126.6-174.7179.966.7000111F118 L122 L145 F149 V191 L195F118-L147 HydrophobicContact CB-CD1 4.11Å; F118-L147 HydrophobicContact CD1-CD1 3.56Å; F118-L147 HydrophobicContact CG-CD1 4.28Å; L122-L147 HydrophobicContact CD2-CD1 4.44Å; L145-L147 HydrophobicContact CD2-CB 4.43Å; L145-L147 HydrophobicContact CG-CB 4.26Å; L147-F149 HydrophobicContact CD1-CD1 4.49Å; L147-F149 HydrophobicContact CD2-CD1 4.11Å; L147-F149 HydrophobicContact CD2-CE1 4.1Å; L147-F149 HydrophobicContact CG-CD1 3.97Å; L147-F149 HydrophobicContact CG-CE1 4.33Å; L147-V191 HydrophobicContact CD2-CG1 3.86Å; L147-L195 HydrophobicContact CD2-CD1 3.87Å; L147-L195 HydrophobicContact CD2-CD2 4.35Å
148M90.6Very high90.5Very high54 Ų5456.5 Ų56.527%0.26632%0.32SS..EExtended strand (participates in β ladder)trans-133.3136.2172.1-176.1-179.972.700109.5R26 F118 H119 A120R26-M148 HydrophobicContact CG-SD 4.38Å; F118-M148 PolarHBondContact O-N 3.04Å; H119-M148 HydrophobicContact CB-CB 4.38Å; H119-M148 HydrophobicContact CB-CE 4.03Å; A120-M148 HydrophobicContact CB-CE 4.09Å; A120-M148 PolarHBondContact N-O 2.68Å
149F91Very high90Very high36 Ų3656.6 Ų56.616%0.15832%0.32CS..  trans-148.9161.7-179.256.1-96.3000111.7L122 E123 L147 N151 R186 P188 V191L122-F149 HydrophobicContact CB-CB 3.98Å; L122-F149 HydrophobicContact CD2-CB 4.19Å; L122-F149 HydrophobicContact CD2-CD1 4.05Å; L122-F149 HydrophobicContact CD2-CG 4.19Å; E123-F149 WeakPolarHBondContact OE2-CA 3.4Å; L147-F149 HydrophobicContact CD1-CD1 4.49Å; L147-F149 HydrophobicContact CD2-CD1 4.11Å; L147-F149 HydrophobicContact CD2-CE1 4.1Å; L147-F149 HydrophobicContact CG-CD1 3.97Å; L147-F149 HydrophobicContact CG-CE1 4.33Å; F149-N151 PolarHBondContact O-N 3.3Å; F149-R186 HydrophobicContact CD2-CB 3.6Å; F149-R186 HydrophobicContact CD2-CG 4.28Å; F149-R186 HydrophobicContact CE2-CB 3.95Å; F149-R186 HydrophobicContact CG-CB 4.32Å; F149-P188 HydrophobicContact CE2-CB 4.36Å; F149-P188 HydrophobicContact CE2-CG 4.16Å; F149-P188 HydrophobicContact CZ-CB 4.24Å; F149-V191 HydrophobicContact CD1-CG1 4.31Å; F149-V191 HydrophobicContact CE1-CB 4.13Å; F149-V191 HydrophobicContact CE1-CG1 3.68Å; F149-V191 HydrophobicContact CE1-CG2 4.24Å; F149-V191 HydrophobicContact CE2-CG2 4.18Å; F149-V191 HydrophobicContact CZ-CB 3.96Å; F149-V191 HydrophobicContact CZ-CG1 4.05Å; F149-V191 HydrophobicContact CZ-CG2 3.98Å
150Y89.6Confident89.5Confident92 Ų9259.6 Ų59.636%0.36134%0.335SS..  trans-70.8117.1177.4-160.2-76.9000112.3E123 A152 L155 P182 P185 R186E123-Y150 PolarHBondContact OE1-N 2.83Å; E123-Y150 PolarHBondContact OE2-N 2.99Å; Y150-A152 PolarHBondContact O-N 3.49Å; Y150-L155 HydrophobicContact CE1-CB 4.08Å; Y150-L155 HydrophobicContact CE1-CD1 4.43Å; Y150-P182 HydrophobicContact CD1-CG 4.04Å; Y150-P182 HydrophobicContact CD2-CG 3.52Å; Y150-P182 HydrophobicContact CE2-CG 4.06Å; Y150-P182 HydrophobicContact CG-CG 3.5Å; Y150-P182 VanDerWaalsContact CG-CG 3.5Å; Y150-P185 HydrophobicContact CD1-CB 3.92Å; Y150-R186 PolarHBondContact O-N 3.4Å
151N88.9Confident88.8Confident46 Ų4661.3 Ų61.325%0.24635%0.354CS..BIsolated β-bridgetrans-76.6117.6-176.9-174.2-27.5000112.3F149 H153 G154 L155F149-N151 PolarHBondContact O-N 3.3Å; N151-H153 VanDerWaalsContact C-N 3.33Å; N151-H153 PolarHBondContact O-N 3.28Å; N151-H153 WeakPolarHBondContact OD1-CA 3.46Å; N151-H153 WeakPolarHBondContact OD1-CB 3.37Å; N151-H153 PolarHBondContact OD1-N 2.77Å; N151-G154 PolarHBondContact O-N 3.17Å; N151-G154 PolarHBondContact OD1-N 3.28Å; N151-L155 PolarHBondContact O-N 2.9Å
152A89.9Confident88.4Confident24 Ų2457.7 Ų57.720%0.19834%0.336CS..Hα-helixtrans-62.8-34.9178.900000113.5Y150 G154 L155 L156 P185 R186Y150-A152 PolarHBondContact O-N 3.49Å; A152-G154 VanDerWaalsContact C-N 3.3Å; A152-G154 PolarHBondContact O-N 3.41Å; A152-L155 WeakPolarHBondContact O-CB 3.39Å; A152-L155 PolarHBondContact O-N 2.84Å; A152-L156 PolarHBondContact O-N 2.94Å; A152-P185 HydrophobicContact CB-CB 4.19Å; A152-R186 WeakPolarHBondContact CB-O 3.35Å; A152-R186 PolarHBondContact N-O 3.1Å
153H88.6Confident88.1Confident88 Ų8856.1 Ų56.141%0.40732%0.319SS..Hα-helixtrans-67.7-33.9175.8-57.4-52.8000111.3N151 L156 M157 D187 P188N151-H153 VanDerWaalsContact C-N 3.33Å; N151-H153 PolarHBondContact O-N 3.28Å; N151-H153 WeakPolarHBondContact OD1-CA 3.46Å; N151-H153 WeakPolarHBondContact OD1-CB 3.37Å; N151-H153 PolarHBondContact OD1-N 2.77Å; H153-L156 PolarHBondContact O-N 2.85Å; H153-M157 VanDerWaalsContact O-CB 3.31Å; H153-M157 WeakPolarHBondContact O-CB 3.43Å; H153-M157 PolarHBondContact O-N 2.86Å; H153-D187 IonicContact CD2-OD1 2.58Å; H153-D187 IonicContact CE1-OD1 2.89Å; H153-D187 IonicContact CE1-OD2 3.14Å; H153-D187 IonicContact NE2-OD1 2.68Å; H153-D187 PolarHBondContact NE2-OD1 3.38Å; H153-D187 IonicContact NE2-OD2 3.84Å; H153-P188 VanDerWaalsContact CD2-CD 3.42Å; H153-P188 WeakPolarHBondContact CD2-CD 3.39Å
154G86.2Confident87.8Confident39 Ų3958.8 Ų58.840%0.40233%0.33SS..Hα-helixtrans-63.2-40.4172.700000112.4N151 A152 H158N151-G154 PolarHBondContact O-N 3.17Å; N151-G154 PolarHBondContact OD1-N 3.28Å; A152-G154 VanDerWaalsContact C-N 3.3Å; A152-G154 PolarHBondContact O-N 3.41Å; G154-H158 WeakPolarHBondContact O-CB 3.47Å; G154-H158 PolarHBondContact O-N 2.7Å
155L87Confident87.5Confident31 Ų3163 Ų6316%0.16235%0.346CS..Hα-helixtrans-62.8-46173.7-171.757.6000111.8Y150 N151 A152 N159 M172 P185Y150-L155 HydrophobicContact CE1-CB 4.08Å; Y150-L155 HydrophobicContact CE1-CD1 4.43Å; N151-L155 PolarHBondContact O-N 2.9Å; A152-L155 WeakPolarHBondContact O-CB 3.39Å; A152-L155 PolarHBondContact O-N 2.84Å; L155-N159 PolarHBondContact O-N 3.3Å; L155-N159 VanDerWaalsContact O-N 3.14Å; L155-N159 PolarHBondContact O-ND2 3.13Å; L155-M172 HydrophobicContact CD2-SD 4.33Å; L155-M172 HydrophobicContact CG-CE 4.45Å; L155-M172 HydrophobicContact CG-SD 3.95Å; L155-P185 HydrophobicContact CD2-CB 4.35Å; L155-P185 HydrophobicContact CD2-CG 4.02Å
156L88.3Confident87.1Confident63 Ų6368.2 Ų68.233%0.3337%0.374SS..Hα-helixtrans-60.8-53.1178.5175.962000110.7A152 H153 H158 N159 M160 V168 M172A152-L156 PolarHBondContact O-N 2.94Å; H153-L156 PolarHBondContact O-N 2.85Å; L156-H158 VanDerWaalsContact C-N 3.32Å; L156-H158 PolarHBondContact O-N 3.05Å; L156-N159 PolarHBondContact O-N 3.1Å; L156-N159 VanDerWaalsContact O-N 3.15Å; L156-M160 HydrophobicContact CD1-CG 3.96Å; L156-M160 HydrophobicContact CG-CG 4.26Å; L156-M160 WeakPolarHBondContact O-CB 3.21Å; L156-M160 VanDerWaalsContact O-CG 3.3Å; L156-M160 WeakPolarHBondContact O-CG 3.35Å; L156-M160 PolarHBondContact O-N 3.47Å; L156-V168 HydrophobicContact CD1-CB 4.4Å; L156-V168 HydrophobicContact CD1-CG1 3.38Å; L156-V168 HydrophobicContact CD1-CG2 4.11Å; L156-M172 HydrophobicContact CB-CE 3.98Å; L156-M172 HydrophobicContact CD1-CE 4.07Å; L156-M172 HydrophobicContact CD1-SD 4.49Å
157M86.7Confident86.7Confident132 Ų13269.3 Ų69.365%0.6537%0.374SS*.Hα-helixtrans-57.3-45.7-179.6-177.2-178.7179.100111.3H153 N159 M160 V161H153-M157 VanDerWaalsContact O-CB 3.31Å; H153-M157 WeakPolarHBondContact O-CB 3.43Å; H153-M157 PolarHBondContact O-N 2.86Å; M157-N159 VanDerWaalsContact C-N 3.34Å; M157-N159 PolarHBondContact O-N 3.2Å; M157-M160 PolarHBondContact O-N 3.36Å; M157-V161 HydrophobicContact CG-CG2 4.36Å; M157-V161 WeakPolarHBondContact O-CB 3.29Å; M157-V161 VanDerWaalsContact O-CG2 3.3Å; M157-V161 WeakPolarHBondContact O-CG2 3.4Å; M157-V161 PolarHBondContact O-N 3.19Å
158H84.4Confident86.4Confident124 Ų12468.7 Ų68.757%0.57437%0.372SS*.Hα-helixtrans-57.2-46.2177175.468.2000112.2G154 L156 A162G154-H158 WeakPolarHBondContact O-CB 3.47Å; G154-H158 PolarHBondContact O-N 2.7Å; L156-H158 VanDerWaalsContact C-N 3.32Å; L156-H158 PolarHBondContact O-N 3.05Å; H158-A162 VanDerWaalsContact O-CB 3.27Å; H158-A162 WeakPolarHBondContact O-CB 3.41Å; H158-A162 PolarHBondContact O-N 3.37Å
159N84.8Confident86.2Confident11 Ų1174.2 Ų74.26%0.05940%0.397CS..Hα-helixtrans-71.6-34.5179.9-78-74.1000113L155 L156 M157 A162 G163 N164 Y167 V168 M172L155-N159 PolarHBondContact O-N 3.3Å; L155-N159 VanDerWaalsContact O-N 3.14Å; L155-N159 PolarHBondContact O-ND2 3.13Å; L156-N159 PolarHBondContact O-N 3.1Å; L156-N159 VanDerWaalsContact O-N 3.15Å; M157-N159 VanDerWaalsContact C-N 3.34Å; M157-N159 PolarHBondContact O-N 3.2Å; N159-A162 PolarHBondContact O-N 3.16Å; N159-G163 PolarHBondContact O-N 2.81Å; N159-N164 HydrophobicContact CB-CB 4.11Å; N159-N164 WeakPolarHBondContact O-CB 3.49Å; N159-N164 PolarHBondContact O-N 3.06Å; N159-N164 PolarHBondContact OD1-ND2 2.82Å; N159-Y167 WeakPolarHBondContact OD1-CD1 3.33Å; N159-V168 HydrophobicContact CB-CG2 3.64Å; N159-M172 HydrophobicContact CB-SD 4.28Å
160M84.2Confident86.1Confident85 Ų8575.8 Ų75.842%0.41942%0.417SS..Hα-helixtrans-64.2-46.3174-73.5-67-67.500111.5L156 M157 A162 G163 F165 V168L156-M160 HydrophobicContact CD1-CG 3.96Å; L156-M160 HydrophobicContact CG-CG 4.26Å; L156-M160 WeakPolarHBondContact O-CB 3.21Å; L156-M160 VanDerWaalsContact O-CG 3.3Å; L156-M160 WeakPolarHBondContact O-CG 3.35Å; L156-M160 PolarHBondContact O-N 3.47Å; M157-M160 PolarHBondContact O-N 3.36Å; M160-A162 VanDerWaalsContact C-N 3.31Å; M160-A162 PolarHBondContact O-N 2.9Å; M160-G163 PolarHBondContact O-N 3.35Å; M160-F165 HydrophobicContact CE-CD1 4.22Å; M160-F165 HydrophobicContact CE-CE1 3.97Å; M160-F165 HydrophobicContact SD-CD1 3.93Å; M160-F165 HydrophobicContact SD-CE1 4.12Å; M160-V168 HydrophobicContact CG-CG2 4.35Å; M160-V168 HydrophobicContact SD-CB 4.37Å; M160-V168 HydrophobicContact SD-CG1 3.96Å; M160-V168 HydrophobicContact SD-CG2 4.16Å
161V80.3Confident85.8Confident119 Ų11974.2 Ų74.272%0.72143%0.429SS*.Hα-helixtrans-66.2-34.8177.5173.30000111.4M157 G163M157-V161 HydrophobicContact CG-CG2 4.36Å; M157-V161 WeakPolarHBondContact O-CB 3.29Å; M157-V161 VanDerWaalsContact O-CG2 3.3Å; M157-V161 WeakPolarHBondContact O-CG2 3.4Å; M157-V161 PolarHBondContact O-N 3.19Å; V161-G163 PolarHBondContact O-N 2.91Å
162A82.1Confident85.6Confident56 Ų5674 Ų7446%0.46343%0.427SS..THydrogen-bonded Turntrans-76.7-0.917600000114.2H158 N159 M160 N164H158-A162 VanDerWaalsContact O-CB 3.27Å; H158-A162 WeakPolarHBondContact O-CB 3.41Å; H158-A162 PolarHBondContact O-N 3.37Å; N159-A162 PolarHBondContact O-N 3.16Å; M160-A162 VanDerWaalsContact C-N 3.31Å; M160-A162 PolarHBondContact O-N 2.9Å; A162-N164 VanDerWaalsContact C-N 3.33Å; A162-N164 PolarHBondContact O-N 3.39Å
163G81.4Confident85.1Confident39 Ų3976.2 Ų76.240%0.40244%0.439SS..THydrogen-bonded Turntrans74.216.118000000115.1N159 M160 V161 F165N159-G163 PolarHBondContact O-N 2.81Å; M160-G163 PolarHBondContact O-N 3.35Å; V161-G163 PolarHBondContact O-N 2.91Å; G163-F165 PolarHBondContact O-N 3.43Å
164N85Confident84.4Confident74 Ų7475.2 Ų75.240%0.39643%0.434SS..  trans-79.648.3-178.9-67.9-28.8000112.3N159 A162 D166 Y167 V168N159-N164 HydrophobicContact CB-CB 4.11Å; N159-N164 WeakPolarHBondContact O-CB 3.49Å; N159-N164 PolarHBondContact O-N 3.06Å; N159-N164 PolarHBondContact OD1-ND2 2.82Å; A162-N164 VanDerWaalsContact C-N 3.33Å; A162-N164 PolarHBondContact O-N 3.39Å; N164-D166 PolarHBondContact O-N 3.21Å; N164-Y167 WeakPolarHBondContact O-CB 3.48Å; N164-Y167 PolarHBondContact O-N 3.17Å; N164-Y167 VanDerWaalsContact O-N 3.13Å; N164-V168 WeakPolarHBondContact O-CG2 3.38Å; N164-V168 PolarHBondContact O-N 2.88Å
165F87.7Confident83.4Confident116 Ų11681.2 Ų81.251%0.50945%0.449SS..Hα-helixtrans-60.4-42.6-170.7-56.8-58.9000113.3M160 G163 Y167 V168 Q169M160-F165 HydrophobicContact CE-CD1 4.22Å; M160-F165 HydrophobicContact CE-CE1 3.97Å; M160-F165 HydrophobicContact SD-CD1 3.93Å; M160-F165 HydrophobicContact SD-CE1 4.12Å; G163-F165 PolarHBondContact O-N 3.43Å; F165-Y167 VanDerWaalsContact C-N 3.28Å; F165-Y167 PolarHBondContact O-N 2.74Å; F165-V168 PolarHBondContact O-N 2.93Å; F165-V168 VanDerWaalsContact O-N 3.16Å; F165-Q169 WeakPolarHBondContact O-CB 3.32Å; F165-Q169 PolarHBondContact O-N 3.35Å
166D85.8Confident82.2Confident136 Ų13687.1 Ų87.173%0.72747%0.473SS*.Hα-helixtrans-60.9-38.7177.2-65-22.7000112N164 Q169 A170N164-D166 PolarHBondContact O-N 3.21Å; D166-Q169 PolarHBondContact O-N 3.4Å; D166-A170 WeakPolarHBondContact O-CB 3.45Å; D166-A170 PolarHBondContact O-N 3.48Å
167Y85.9Confident80.7Confident49 Ų4992.9 Ų92.919%0.19250%0.495CS..Hα-helixtrans-68.9-39.9177.2-179.7-121.4000111.8N159 N164 F165 A170 M172 P173 K175N159-Y167 WeakPolarHBondContact OD1-CD1 3.33Å; N164-Y167 WeakPolarHBondContact O-CB 3.48Å; N164-Y167 PolarHBondContact O-N 3.17Å; N164-Y167 VanDerWaalsContact O-N 3.13Å; F165-Y167 VanDerWaalsContact C-N 3.28Å; F165-Y167 PolarHBondContact O-N 2.74Å; Y167-A170 PolarHBondContact O-N 2.95Å; Y167-M172 HydrophobicContact CD1-CB 4.29Å; Y167-M172 HydrophobicContact CD1-CG 3.92Å; Y167-M172 HydrophobicContact CE1-CB 3.71Å; Y167-M172 HydrophobicContact CE1-CG 3.76Å; Y167-M172 HydrophobicContact CE2-CB 4.28Å; Y167-M172 VanDerWaalsContact CZ-CA 3.47Å; Y167-M172 WeakPolarHBondContact O-CA 3.4Å; Y167-M172 PolarHBondContact O-N 3Å; Y167-M172 PolarHBondContact OH-O 3.37Å; Y167-P173 HydrophobicContact CE2-CG 4.43Å; Y167-P173 VanDerWaalsContact CE2-O 3.25Å; Y167-P173 WeakPolarHBondContact CE2-O 3.2Å; Y167-P173 PolarHBondContact OH-O 2.99Å; Y167-P173 VanDerWaalsContact OH-O 3.04Å; Y167-K175 VanDerWaalsContact CD2-CE 3.45Å; Y167-K175 HydrophobicContact CE2-CD 4.37Å; Y167-K175 HydrophobicContact CE2-CG 4.21Å
168V86.7Confident79.4Confident29 Ų2995 Ų9518%0.17650%0.496CS..Hα-helixtrans-63.4-45.6173.7171.60000110.9L156 N159 M160 N164 F165 A170 G171 M172L156-V168 HydrophobicContact CD1-CB 4.4Å; L156-V168 HydrophobicContact CD1-CG1 3.38Å; L156-V168 HydrophobicContact CD1-CG2 4.11Å; N159-V168 HydrophobicContact CB-CG2 3.64Å; M160-V168 HydrophobicContact CG-CG2 4.35Å; M160-V168 HydrophobicContact SD-CB 4.37Å; M160-V168 HydrophobicContact SD-CG1 3.96Å; M160-V168 HydrophobicContact SD-CG2 4.16Å; N164-V168 WeakPolarHBondContact O-CG2 3.38Å; N164-V168 PolarHBondContact O-N 2.88Å; F165-V168 PolarHBondContact O-N 2.93Å; F165-V168 VanDerWaalsContact O-N 3.16Å; V168-A170 VanDerWaalsContact C-N 3.28Å; V168-A170 PolarHBondContact O-N 3.23Å; V168-G171 WeakPolarHBondContact O-CA 3.43Å; V168-G171 PolarHBondContact O-N 2.97Å; V168-M172 HydrophobicContact CG2-CG 4.36Å; V168-M172 HydrophobicContact CG2-SD 4.28Å
169Q86.6Confident78.6Confident169 Ų16991.2 Ų91.279%0.7948%0.482SS*.Hα-helixtrans-65.8-31.6-179.1-164.8171.110.600112.4F165 D166 G171F165-Q169 WeakPolarHBondContact O-CB 3.32Å; F165-Q169 PolarHBondContact O-N 3.35Å; D166-Q169 PolarHBondContact O-N 3.4Å; Q169-G171 PolarHBondContact O-N 3.14Å
170A87Confident78Confident69 Ų6992.9 Ų92.957%0.5749%0.491SS*.THydrogen-bonded Turntrans-72.7-0.9171.300000114.2D166 Y167 V168 P173D166-A170 WeakPolarHBondContact O-CB 3.45Å; D166-A170 PolarHBondContact O-N 3.48Å; Y167-A170 PolarHBondContact O-N 2.95Å; V168-A170 VanDerWaalsContact C-N 3.28Å; V168-A170 PolarHBondContact O-N 3.23Å; A170-P173 WeakPolarHBondContact O-CD 3.41Å
171G83.3Confident77.6Confident60 Ų6091.7 Ų91.762%0.61949%0.491SS*.THydrogen-bonded Turntrans82.819.1-178.400000114.4V168 Q169V168-G171 WeakPolarHBondContact O-CA 3.43Å; V168-G171 PolarHBondContact O-N 2.97Å; Q169-G171 PolarHBondContact O-N 3.14Å
172M85.8Confident77.6Confident41 Ų4186.5 Ų86.520%0.20246%0.46CS..  trans51.151.4-179.3-58.2179.5-73.600114.6L155 L156 N159 Y167 V168L155-M172 HydrophobicContact CD2-SD 4.33Å; L155-M172 HydrophobicContact CG-CE 4.45Å; L155-M172 HydrophobicContact CG-SD 3.95Å; L156-M172 HydrophobicContact CB-CE 3.98Å; L156-M172 HydrophobicContact CD1-CE 4.07Å; L156-M172 HydrophobicContact CD1-SD 4.49Å; N159-M172 HydrophobicContact CB-SD 4.28Å; Y167-M172 HydrophobicContact CD1-CB 4.29Å; Y167-M172 HydrophobicContact CD1-CG 3.92Å; Y167-M172 HydrophobicContact CE1-CB 3.71Å; Y167-M172 HydrophobicContact CE1-CG 3.76Å; Y167-M172 HydrophobicContact CE2-CB 4.28Å; Y167-M172 VanDerWaalsContact CZ-CA 3.47Å; Y167-M172 WeakPolarHBondContact O-CA 3.4Å; Y167-M172 PolarHBondContact O-N 3Å; Y167-M172 PolarHBondContact OH-O 3.37Å; V168-M172 HydrophobicContact CG2-CG 4.36Å; V168-M172 HydrophobicContact CG2-SD 4.28Å
173P79.2Confident77.7Confident70 Ų7086.5 Ų86.546%0.45545%0.452SS..  trans-62.9144.8-179.327.4-34.5000111Y167 A170 K175Y167-P173 HydrophobicContact CE2-CG 4.43Å; Y167-P173 VanDerWaalsContact CE2-O 3.25Å; Y167-P173 WeakPolarHBondContact CE2-O 3.2Å; Y167-P173 PolarHBondContact OH-O 2.99Å; Y167-P173 VanDerWaalsContact OH-O 3.04Å; A170-P173 WeakPolarHBondContact O-CD 3.41Å; P173-K175 PolarHBondContact O-N 3.28Å; P173-K175 VanDerWaalsContact O-N 3.16Å
174K73.1Confident78Confident68 Ų6887.4 Ų87.430%0.29644%0.443SS..  trans-66.2116.1178.3-173.4169.3176.7166.30110.3K176 S181 D183K174-K176 WeakPolarHBondContact CE-O 3.38Å; K174-S181 WeakPolarHBondContact CE-O 3.33Å; K174-S181 PolarHBondContact NZ-O 3.05Å; K174-D183 VanDerWaalsContact CD-OD1 3.29Å; K174-D183 WeakPolarHBondContact CD-OD1 3.23Å; K174-D183 WeakPolarHBondContact CE-OD1 3.45Å; K174-D183 IonicContact NZ-OD1 3.6Å; K174-D183 PolarHBondContact NZ-OD1 3.41Å
175K65.3Low78.2Confident165 Ų16586 Ų8672%0.71744%0.438SS*.  trans-78.8-27.6-174-65.4-173.8-179.5-179.40114.6Y167 P173Y167-K175 VanDerWaalsContact CD2-CE 3.45Å; Y167-K175 HydrophobicContact CE2-CD 4.37Å; Y167-K175 HydrophobicContact CE2-CG 4.21Å; P173-K175 PolarHBondContact O-N 3.28Å; P173-K175 VanDerWaalsContact O-N 3.16Å
176K62.5Low78.4Confident155 Ų15581.6 Ų81.667%0.67442%0.418SS*.  trans-142.6139.6-173.7-72-176.6-179.7-178.90111.7K174 R178 T179K174-K176 WeakPolarHBondContact CE-O 3.38Å; K176-R178 PolarHBondContact O-N 2.84Å; K176-T179 HydrophobicContact CB-CG2 3.78Å; K176-T179 PolarHBondContact O-OG1 3.27Å
177K57.8Low78.6Confident183 Ų18378.3 Ų78.380%0.79640%0.401SS*.THydrogen-bonded Turntrans-70.4-26.2-179.2-72.4-175.3177.6179.90114.5
178R57.5Low78.7Confident176 Ų17676.4 Ų76.466%0.66439%0.394SS*.THydrogen-bonded Turntrans-98.318.4-175.9-78.8-177.9139.4-174.8-6115.1K176K176-R178 PolarHBondContact O-N 2.84Å
179T67.9Low78.8Confident45 Ų4577.8 Ų77.828%0.27641%0.409SS..SBendtrans-92147.1175.254.90000110.8K176 S181K176-T179 HydrophobicContact CB-CG2 3.78Å; K176-T179 PolarHBondContact O-OG1 3.27Å; T179-S181 PolarHBondContact O-N 3.26Å; T179-S181 VanDerWaalsContact O-N 3.1Å
180L72Confident79Confident46 Ų4673.3 Ų73.324%0.24139%0.388CS..SBendtrans-71.87.5172-68.1166.7000113.4I9 F13 N16 I17I9-L180 HydrophobicContact CD1-CD2 4.28Å; F13-L180 HydrophobicContact CB-CD2 4.33Å; F13-L180 HydrophobicContact CD2-CD2 3.6Å; F13-L180 HydrophobicContact CE2-CD2 4.43Å; F13-L180 HydrophobicContact CG-CD2 4.42Å; N16-L180 HydrophobicContact CB-CD1 3.96Å; I17-L180 HydrophobicContact CD1-CD1 4.14Å; I17-L180 HydrophobicContact CG1-CD1 4.34Å
181S77.4Confident79.2Confident60 Ų6070 Ų7042%0.4236%0.361SS..SBendtrans-71.7129172.2-56.60000110.2W124 K174 T179W124-S181 WeakPolarHBondContact CH2-O 3.25Å; K174-S181 WeakPolarHBondContact CE-O 3.33Å; K174-S181 PolarHBondContact NZ-O 3.05Å; T179-S181 PolarHBondContact O-N 3.26Å; T179-S181 VanDerWaalsContact O-N 3.1Å
182P80.6Confident79.5Confident11 Ų1170.1 Ų70.17%0.07134%0.343CS..  trans-57.9152-179.5-23.332.1000114.2E123 W124 Y150E123-P182 HydrophobicContact CB-CB 3.7Å; E123-P182 HydrophobicContact CB-CG 4.19Å; E123-P182 HydrophobicContact CG-CB 3.66Å; E123-P182 HydrophobicContact CG-CG 3.8Å; W124-P182 VanDerWaalsContact CH2-CA 3.41Å; W124-P182 HydrophobicContact CH2-CB 4.37Å; W124-P182 HydrophobicContact CZ2-CB 4.23Å; W124-P182 HydrophobicContact CZ2-CG 4.17Å; Y150-P182 HydrophobicContact CD1-CG 4.04Å; Y150-P182 HydrophobicContact CD2-CG 3.52Å; Y150-P182 HydrophobicContact CE2-CG 4.06Å; Y150-P182 HydrophobicContact CG-CG 3.5Å; Y150-P182 VanDerWaalsContact CG-CG 3.5Å
183D82.5Confident79.8Confident56 Ų5671.7 Ų71.730%0.29935%0.352SS..SBendtrans-74.7-34.5172.4-68.9-36.6000111.5K174K174-D183 VanDerWaalsContact CD-OD1 3.29Å; K174-D183 WeakPolarHBondContact CD-OD1 3.23Å; K174-D183 WeakPolarHBondContact CE-OD1 3.45Å; K174-D183 IonicContact NZ-OD1 3.6Å; K174-D183 PolarHBondContact NZ-OD1 3.41Å
184Y87.9Confident80.4Confident57 Ų5770 Ų7022%0.22434%0.336CS..SBendtrans-134.869.6-176-46.7-78.3000111.3M1 E123 V125 R186M1-Y184 WeakPolarHBondContact CG-OH 3.41Å; M1-Y184 HydrophobicContact SD-CE1 3.85Å; M1-Y184 PolarHBondContact SD-OH 2.64Å; E123-Y184 VanDerWaalsContact CA-O 3.23Å; E123-Y184 WeakPolarHBondContact CA-O 3.39Å; E123-Y184 WeakPolarHBondContact CB-O 3.48Å; E123-Y184 CarbonylContact O-C 3.45Å; E123-Y184 WeakPolarHBondContact O-CA 3.5Å; E123-Y184 PolarHBondContact O-N 2.86Å; V125-Y184 WeakPolarHBondContact O-CD2 3.33Å; Y184-R186 VanDerWaalsContact O-CD 3.31Å; Y184-R186 WeakPolarHBondContact O-CD 3.38Å; Y184-R186 WeakPolarHBondContact O-CG 3.18Å; Y184-R186 PolarHBondContact O-N 2.91Å; Y184-R186 PolarHBondContact O-NE 3.32Å
185P89.4Confident81.3Confident44 Ų4467.3 Ų67.329%0.28633%0.325SS..PPolyproline II helixtrans-53.1137169.426-34.2000109.7Y150 A152 L155Y150-P185 HydrophobicContact CD1-CB 3.92Å; A152-P185 HydrophobicContact CB-CB 4.19Å; L155-P185 HydrophobicContact CD2-CB 4.35Å; L155-P185 HydrophobicContact CD2-CG 4.02Å
186R91.9Very high82.4Confident25 Ų2565.3 Ų65.39%0.09432%0.318CS..BIsolated β-bridgetrans-103136.3-167.5-60.4-58.9-176.4-170.5-3112.1L122 V125 F149 Y150 A152 Y184 P188 V191L122-R186 HydrophobicContact CD2-CG 4.15Å; L122-R186 HydrophobicContact CG-CG 4.27Å; L122-R186 PolarHBondContact O-NE 3.26Å; L122-R186 PolarHBondContact O-NH2 2.85Å; V125-R186 PolarHBondContact O-NH2 2.96Å; F149-R186 HydrophobicContact CD2-CB 3.6Å; F149-R186 HydrophobicContact CD2-CG 4.28Å; F149-R186 HydrophobicContact CE2-CB 3.95Å; F149-R186 HydrophobicContact CG-CB 4.32Å; Y150-R186 PolarHBondContact O-N 3.4Å; A152-R186 WeakPolarHBondContact CB-O 3.35Å; A152-R186 PolarHBondContact N-O 3.1Å; Y184-R186 VanDerWaalsContact O-CD 3.31Å; Y184-R186 WeakPolarHBondContact O-CD 3.38Å; Y184-R186 WeakPolarHBondContact O-CG 3.18Å; Y184-R186 PolarHBondContact O-N 2.91Å; Y184-R186 PolarHBondContact O-NE 3.32Å; R186-P188 WeakPolarHBondContact O-CD 3.49Å; R186-V191 HydrophobicContact CB-CG2 3.8Å; R186-V191 HydrophobicContact CG-CG2 4.31Å
187D90.9Very high83.7Confident66 Ų6663.5 Ų63.535%0.35331%0.312SS..PPolyproline II helixtrans-74.4116.8165.6-173.3-19.3000108.8H153 A189 Q190 V191H153-D187 IonicContact CD2-OD1 2.58Å; H153-D187 IonicContact CE1-OD1 2.89Å; H153-D187 IonicContact CE1-OD2 3.14Å; H153-D187 IonicContact NE2-OD1 2.68Å; H153-D187 PolarHBondContact NE2-OD1 3.38Å; H153-D187 IonicContact NE2-OD2 3.84Å; D187-A189 PolarHBondContact O-N 3.05Å; D187-A189 PolarHBondContact OD1-N 3.34Å; D187-Q190 HydrophobicContact CB-CB 4.1Å; D187-Q190 PolarHBondContact O-N 3.05Å; D187-Q190 VanDerWaalsContact O-N 3.12Å; D187-V191 PolarHBondContact O-N 2.58Å; D187-V191 VanDerWaalsContact O-N 3.13Å
188P88.7Confident85Confident9 Ų956.2 Ų56.26%0.05829%0.286CS..Hα-helixtrans-53.2-39.4178.7-25.234.2000113.4F149 H153 R186 Q190 V191 Y192F149-P188 HydrophobicContact CE2-CB 4.36Å; F149-P188 HydrophobicContact CE2-CG 4.16Å; F149-P188 HydrophobicContact CZ-CB 4.24Å; H153-P188 VanDerWaalsContact CD2-CD 3.42Å; H153-P188 WeakPolarHBondContact CD2-CD 3.39Å; R186-P188 WeakPolarHBondContact O-CD 3.49Å; P188-Q190 VanDerWaalsContact C-N 3.3Å; P188-Q190 PolarHBondContact O-N 3.43Å; P188-V191 PolarHBondContact O-N 2.79Å; P188-Y192 HydrophobicContact CB-CE2 3.89Å; P188-Y192 WeakPolarHBondContact O-CD2 3.32Å; P188-Y192 PolarHBondContact O-N 3.38Å
189A87.5Confident86.4Confident59 Ų5950.1 Ų50.149%0.48828%0.278SS..Hα-helixtrans-63.7-38.5-178.600000111.9D187 L193D187-A189 PolarHBondContact O-N 3.05Å; D187-A189 PolarHBondContact OD1-N 3.34Å; A189-L193 PolarHBondContact O-N 3.43Å; A189-L193 VanDerWaalsContact O-N 3.07Å
190Q91.7Very high87.3Confident75 Ų7549.4 Ų49.435%0.3527%0.27SS..Hα-helixtrans-69.8-38.2177.3-173.564.47100111.8D187 P188 L193 W194D187-Q190 HydrophobicContact CB-CB 4.1Å; D187-Q190 PolarHBondContact O-N 3.05Å; D187-Q190 VanDerWaalsContact O-N 3.12Å; P188-Q190 VanDerWaalsContact C-N 3.3Å; P188-Q190 PolarHBondContact O-N 3.43Å; Q190-L193 PolarHBondContact O-N 2.95Å; Q190-W194 HydrophobicContact CG-CD2 4.24Å; Q190-W194 HydrophobicContact CG-CH2 3.8Å; Q190-W194 HydrophobicContact CG-CZ2 3.32Å; Q190-W194 HydrophobicContact CG-CZ3 4.42Å; Q190-W194 VanDerWaalsContact O-CG 3.27Å; Q190-W194 PolarHBondContact O-N 3.27Å; Q190-W194 VanDerWaalsContact O-N 3.1Å
191V91.4Very high87.9Confident0 Ų055.5 Ų55.50%030%0.298CS..Hα-helixtrans-65.5-44.3175.9177.90000110.7L122 L147 F149 R186 D187 P188 L193 W194 L195L122-V191 HydrophobicContact CD2-CG1 4.03Å; L122-V191 HydrophobicContact CD2-CG2 3.95Å; L147-V191 HydrophobicContact CD2-CG1 3.86Å; F149-V191 HydrophobicContact CD1-CG1 4.31Å; F149-V191 HydrophobicContact CE1-CB 4.13Å; F149-V191 HydrophobicContact CE1-CG1 3.68Å; F149-V191 HydrophobicContact CE1-CG2 4.24Å; F149-V191 HydrophobicContact CE2-CG2 4.18Å; F149-V191 HydrophobicContact CZ-CB 3.96Å; F149-V191 HydrophobicContact CZ-CG1 4.05Å; F149-V191 HydrophobicContact CZ-CG2 3.98Å; R186-V191 HydrophobicContact CB-CG2 3.8Å; R186-V191 HydrophobicContact CG-CG2 4.31Å; D187-V191 PolarHBondContact O-N 2.58Å; D187-V191 VanDerWaalsContact O-N 3.13Å; P188-V191 PolarHBondContact O-N 2.79Å; V191-L193 VanDerWaalsContact C-N 3.31Å; V191-L193 PolarHBondContact O-N 3.06Å; V191-W194 HydrophobicContact CB-CE3 4.48Å; V191-W194 HydrophobicContact CG2-CE3 4.18Å; V191-W194 HydrophobicContact CG2-CZ3 4.04Å; V191-W194 PolarHBondContact O-N 3.1Å; V191-W194 VanDerWaalsContact O-N 3.17Å; V191-L195 HydrophobicContact CG1-CD1 4.07Å; V191-L195 HydrophobicContact CG1-CG 4.39Å; V191-L195 WeakPolarHBondContact O-CG 3.34Å; V191-L195 PolarHBondContact O-N 3.19Å
192Y89Confident88.1Confident62 Ų6255.9 Ų55.924%0.24330%0.295CS..Hα-helixtrans-60.7-41.9176.3-57.9-30.7000111.9P188 W194 L195 E196 I202 E206P188-Y192 HydrophobicContact CB-CE2 3.89Å; P188-Y192 WeakPolarHBondContact O-CD2 3.32Å; P188-Y192 PolarHBondContact O-N 3.38Å; Y192-W194 VanDerWaalsContact C-N 3.34Å; Y192-W194 PolarHBondContact O-N 3.28Å; Y192-L195 HydrophobicContact CD1-CD1 4.44Å; Y192-L195 PolarHBondContact O-N 2.59Å; Y192-E196 WeakPolarHBondContact O-CB 3.45Å; Y192-E196 WeakPolarHBondContact O-CG 3.44Å; Y192-E196 PolarHBondContact O-N 3.25Å; Y192-I202 HydrophobicContact CD1-CD1 3.73Å; Y192-I202 HydrophobicContact CG-CD1 4.01Å; Y192-E206 PolarHBondContact OH-OE2 2.92Å
193L90.9Very high87.7Confident73 Ų7360.5 Ų60.538%0.38232%0.316SS..Hα-helixtrans-58.5-45.6174.3-17768.7000111.5A189 Q190 V191 L195 E196 E197A189-L193 PolarHBondContact O-N 3.43Å; A189-L193 VanDerWaalsContact O-N 3.07Å; Q190-L193 PolarHBondContact O-N 2.95Å; V191-L193 VanDerWaalsContact C-N 3.31Å; V191-L193 PolarHBondContact O-N 3.06Å; L193-L195 VanDerWaalsContact C-N 3.31Å; L193-L195 PolarHBondContact O-N 3.4Å; L193-E196 PolarHBondContact O-N 3.3Å; L193-E197 HydrophobicContact CD1-CG 4.41Å; L193-E197 HydrophobicContact CG-CG 4.35Å; L193-E197 VanDerWaalsContact O-CB 3.3Å; L193-E197 WeakPolarHBondContact O-CB 3.32Å; L193-E197 VanDerWaalsContact O-CG 3.23Å; L193-E197 WeakPolarHBondContact O-CG 3.42Å; L193-E197 PolarHBondContact O-N 2.88Å
194W92.8Very high86.7Confident34 Ų3461.3 Ų61.313%0.12932%0.323CS..Hα-helixtrans-63.3-37.8177.4-62.7-24.7000113P128 R129 L132 Q190 V191 Y192 A198P128-W194 HydrophobicContact CB-CE3 4.18Å; P128-W194 HydrophobicContact CB-CH2 4.26Å; P128-W194 HydrophobicContact CB-CZ3 3.68Å; P128-W194 HydrophobicContact CG-CE3 4.17Å; P128-W194 HydrophobicContact CG-CH2 3.48Å; P128-W194 VanDerWaalsContact CG-CH2 3.48Å; P128-W194 HydrophobicContact CG-CZ2 4.25Å; P128-W194 HydrophobicContact CG-CZ3 3.43Å; P128-W194 VanDerWaalsContact CG-CZ3 3.43Å; R129-W194 HydrophobicContact CG-CD2 4.04Å; R129-W194 HydrophobicContact CG-CG 3.94Å; L132-W194 HydrophobicContact CD1-CB 4.23Å; L132-W194 HydrophobicContact CD1-CE3 4.46Å; Q190-W194 HydrophobicContact CG-CD2 4.24Å; Q190-W194 HydrophobicContact CG-CH2 3.8Å; Q190-W194 HydrophobicContact CG-CZ2 3.32Å; Q190-W194 HydrophobicContact CG-CZ3 4.42Å; Q190-W194 VanDerWaalsContact O-CG 3.27Å; Q190-W194 PolarHBondContact O-N 3.27Å; Q190-W194 VanDerWaalsContact O-N 3.1Å; V191-W194 HydrophobicContact CB-CE3 4.48Å; V191-W194 HydrophobicContact CG2-CE3 4.18Å; V191-W194 HydrophobicContact CG2-CZ3 4.04Å; V191-W194 PolarHBondContact O-N 3.1Å; V191-W194 VanDerWaalsContact O-N 3.17Å; Y192-W194 VanDerWaalsContact C-N 3.34Å; Y192-W194 PolarHBondContact O-N 3.28Å; W194-A198 WeakPolarHBondContact O-CB 3.44Å; W194-A198 PolarHBondContact O-N 2.79Å
195L91.1Very high85.1Confident12 Ų1262.4 Ų62.46%0.06334%0.337CS..Hα-helixtrans-65.4-48.8176.6-71.2171.6000110.6L132 L145 L147 V191 Y192 L193 A198 G199 W200L132-L195 HydrophobicContact CD1-CD2 4.22Å; L132-L195 HydrophobicContact CD2-CD2 4Å; L145-L195 HydrophobicContact CD2-CD2 4.4Å; L147-L195 HydrophobicContact CD2-CD1 3.87Å; L147-L195 HydrophobicContact CD2-CD2 4.35Å; V191-L195 HydrophobicContact CG1-CD1 4.07Å; V191-L195 HydrophobicContact CG1-CG 4.39Å; V191-L195 WeakPolarHBondContact O-CG 3.34Å; V191-L195 PolarHBondContact O-N 3.19Å; Y192-L195 HydrophobicContact CD1-CD1 4.44Å; Y192-L195 PolarHBondContact O-N 2.59Å; L193-L195 VanDerWaalsContact C-N 3.31Å; L193-L195 PolarHBondContact O-N 3.4Å; L195-A198 PolarHBondContact O-N 3.15Å; L195-G199 PolarHBondContact O-N 2.96Å; L195-G199 VanDerWaalsContact O-N 3.13Å; L195-W200 HydrophobicContact CB-CB 3.98Å; L195-W200 HydrophobicContact CB-CG 4.27Å; L195-W200 HydrophobicContact CD2-CB 4.29Å; L195-W200 HydrophobicContact CD2-CD2 4.29Å; L195-W200 HydrophobicContact CD2-CG 3.79Å; L195-W200 WeakPolarHBondContact O-CB 3.27Å; L195-W200 VanDerWaalsContact O-CD1 3.26Å; L195-W200 PolarHBondContact O-N 3.2Å
196E88.3Confident84Confident123 Ų12364.2 Ų64.258%0.57534%0.342SS*.Hα-helixtrans-61.9-43.6176.9-71.1175.3178.900111.9Y192 L193 A198 G199Y192-E196 WeakPolarHBondContact O-CB 3.45Å; Y192-E196 WeakPolarHBondContact O-CG 3.44Å; Y192-E196 PolarHBondContact O-N 3.25Å; L193-E196 PolarHBondContact O-N 3.3Å; E196-A198 VanDerWaalsContact C-N 3.28Å; E196-A198 PolarHBondContact O-N 3.32Å; E196-G199 PolarHBondContact O-N 3.42Å
197E89.8Confident82.7Confident117 Ų11769.3 Ų69.355%0.54737%0.37SS..Hα-helixtrans-59.8-35.9175.7-78.1176.7162.900112.4R129 L193 G199R129-E197 IonicContact CZ-OE2 3.88Å; R129-E197 IonicContact NH2-OE2 2.84Å; R129-E197 PolarHBondContact NH2-OE2 3.42Å; L193-E197 HydrophobicContact CD1-CG 4.41Å; L193-E197 HydrophobicContact CG-CG 4.35Å; L193-E197 VanDerWaalsContact O-CB 3.3Å; L193-E197 WeakPolarHBondContact O-CB 3.32Å; L193-E197 VanDerWaalsContact O-CG 3.23Å; L193-E197 WeakPolarHBondContact O-CG 3.42Å; L193-E197 PolarHBondContact O-N 2.88Å; E197-G199 VanDerWaalsContact C-N 3.3Å
198A86.3Confident81.3Confident30 Ų3070.9 Ų70.925%0.24838%0.382CS..Hα-helixtrans-81.2-8.3176.500000113.5W194 L195 E196W194-A198 WeakPolarHBondContact O-CB 3.44Å; W194-A198 PolarHBondContact O-N 2.79Å; L195-A198 PolarHBondContact O-N 3.15Å; E196-A198 VanDerWaalsContact C-N 3.28Å; E196-A198 PolarHBondContact O-N 3.32Å
199G85.6Confident80Confident48 Ų4872.2 Ų72.250%0.49539%0.394SS..THydrogen-bonded Turntrans96.59.6177.400000115.4W136 L195 E196 E197W136-G199 VanDerWaalsContact CH2-O 3.26Å; W136-G199 WeakPolarHBondContact CH2-O 3.31Å; L195-G199 PolarHBondContact O-N 2.96Å; L195-G199 VanDerWaalsContact O-N 3.13Å; E196-G199 PolarHBondContact O-N 3.42Å; E197-G199 VanDerWaalsContact C-N 3.3Å
200W86.9Confident79.3Confident30 Ų3075.5 Ų75.511%0.11439%0.393CS..PPolyproline II helixtrans-69141.4175.4-6492.6000111.7W136 L139 L145 L195W136-W200 HydrophobicContact CB-CH2 4.49Å; W136-W200 HydrophobicContact CB-CZ2 3.7Å; W136-W200 HydrophobicContact CD2-CZ2 4.37Å; W136-W200 AromaticContact CE3-CD2 3.46Å; W136-W200 HydrophobicContact CE3-CD2 3.46Å; W136-W200 VanDerWaalsContact CE3-CD2 3.46Å; W136-W200 AromaticContact CE3-CE2 3.38Å; W136-W200 AromaticContact CE3-CE3 3.77Å; W136-W200 HydrophobicContact CE3-CE3 3.77Å; W136-W200 AromaticContact CE3-CG 3.97Å; W136-W200 HydrophobicContact CE3-CG 3.97Å; W136-W200 AromaticContact CE3-CH2 3.91Å; W136-W200 HydrophobicContact CE3-CH2 3.91Å; W136-W200 AromaticContact CE3-CZ2 3.64Å; W136-W200 HydrophobicContact CE3-CZ2 3.64Å; W136-W200 AromaticContact CE3-CZ3 3.97Å; W136-W200 HydrophobicContact CE3-CZ3 3.97Å; W136-W200 AromaticContact CE3-NE1 3.75Å; W136-W200 HydrophobicContact CG-CZ2 4.45Å; W136-W200 HydrophobicContact CZ3-CB 4.45Å; W136-W200 AromaticContact CZ3-CD2 3.7Å; W136-W200 HydrophobicContact CZ3-CD2 3.7Å; W136-W200 AromaticContact CZ3-CE3 3.82Å; W136-W200 HydrophobicContact CZ3-CE3 3.82Å; W136-W200 AromaticContact CZ3-CG 3.97Å; W136-W200 HydrophobicContact CZ3-CG 3.97Å; W136-W200 HydrophobicContact CZ3-CZ3 4.31Å; L139-W200 HydrophobicContact CD2-CH2 3.56Å; L139-W200 HydrophobicContact CD2-CZ3 3.39Å; L145-W200 HydrophobicContact CB-CE3 4.07Å; L145-W200 HydrophobicContact CB-CH2 3.58Å; L145-W200 HydrophobicContact CB-CZ2 4.42Å; L145-W200 HydrophobicContact CB-CZ3 3.37Å; L145-W200 HydrophobicContact CD2-CD2 4.36Å; L145-W200 HydrophobicContact CD2-CE3 4.35Å; L145-W200 HydrophobicContact CD2-CH2 3.75Å; L145-W200 HydrophobicContact CD2-CZ2 3.73Å; L145-W200 HydrophobicContact CD2-CZ3 4.07Å; L145-W200 HydrophobicContact CG-CH2 4.24Å; L145-W200 HydrophobicContact CG-CZ3 4.35Å; L195-W200 HydrophobicContact CB-CB 3.98Å; L195-W200 HydrophobicContact CB-CG 4.27Å; L195-W200 HydrophobicContact CD2-CB 4.29Å; L195-W200 HydrophobicContact CD2-CD2 4.29Å; L195-W200 HydrophobicContact CD2-CG 3.79Å; L195-W200 WeakPolarHBondContact O-CB 3.27Å; L195-W200 VanDerWaalsContact O-CD1 3.26Å; L195-W200 PolarHBondContact O-N 3.2Å
201Q85.5Confident78.3Confident175 Ų17573.3 Ų73.382%0.81839%0.389SS*.PPolyproline II helixtrans-102.4118.4170.1-173.5178.9-6.900110M203Q201-M203 PolarHBondContact O-N 3.45Å
202I81.3Confident77.4Confident68 Ų6883 Ų8335%0.34943%0.425SS..PPolyproline II helixtrans-81117.2-179.4-57.7172.6000109.5Y192Y192-I202 HydrophobicContact CD1-CD1 3.73Å; Y192-I202 HydrophobicContact CG-CD1 4.01Å
203M72.4Confident76.7Confident108 Ų10888.9 Ų88.953%0.53245%0.452SS..  trans-86.7-23.7-176-68.4177.358.300114.4E40 Q201E40-M203 WeakPolarHBondContact OE2-CE 3.48Å; Q201-M203 PolarHBondContact O-N 3.45Å
204V62.3Low76.1Confident72 Ų7288.3 Ų88.344%0.43645%0.449SS..  trans-133.1103.3-177.2-168.80000109E206V204-E206 PolarHBondContact O-N 2.93Å
205P54.2Low75.7Confident81 Ų8192.3 Ų92.353%0.52647%0.473SS..  trans-66.5124.8164.69.7-1.6000108L207P205-L207 PolarHBondContact O-N 3.14Å
206E65.1Low75.3Confident81 Ų8195.5 Ų95.538%0.37949%0.487SS..  trans-41.4132.3170.8-168.5178-177.200109.4Y192 V204 V208 A209 W210Y192-E206 PolarHBondContact OH-OE2 2.92Å; V204-E206 PolarHBondContact O-N 2.93Å; E206-V208 CarbonylContact O-C 3.6Å; E206-V208 PolarHBondContact O-N 3.34Å; E206-A209 HydrophobicContact CB-CB 4.31Å; E206-A209 WeakPolarHBondContact O-CA 3.33Å; E206-A209 WeakPolarHBondContact O-CB 3.34Å; E206-A209 PolarHBondContact O-N 3.01Å; E206-W210 PolarHBondContact O-N 3.03Å
207L64.4Low75.2Confident133 Ų13392.5 Ų92.570%0.69648%0.479SS*.Hα-helixtrans-46.7-36.9-176.3175.368000112.2P205 W210 A211P205-L207 PolarHBondContact O-N 3.14Å; L207-W210 HydrophobicContact CD1-CE3 3.9Å; L207-W210 HydrophobicContact CD1-CZ3 4.19Å; L207-W210 PolarHBondContact O-N 3.22Å; L207-A211 WeakPolarHBondContact O-CB 3.49Å; L207-A211 PolarHBondContact O-N 2.91Å
208V62Low75.3Confident99 Ų9991.5 Ų91.560%0.648%0.476SS*.Hα-helixtrans-65.6-42.8176.4-176.60000112.1E206 A211 R212E206-V208 CarbonylContact O-C 3.6Å; E206-V208 PolarHBondContact O-N 3.34Å; V208-A211 PolarHBondContact O-N 2.93Å; V208-R212 WeakPolarHBondContact O-CB 3.5Å; V208-R212 PolarHBondContact O-N 3.46Å
209A62Low75.6Confident36 Ų3693.1 Ų93.130%0.29849%0.486SS..Hα-helixtrans-65.8-40.7175.600000111.3E206 K213E206-A209 HydrophobicContact CB-CB 4.31Å; E206-A209 WeakPolarHBondContact O-CA 3.33Å; E206-A209 WeakPolarHBondContact O-CB 3.34Å; E206-A209 PolarHBondContact O-N 3.01Å; A209-K213 WeakPolarHBondContact O-CB 3.41Å; A209-K213 PolarHBondContact O-N 3Å
210W72.3Confident76.1Confident128 Ų12892.7 Ų92.749%0.48547%0.472SS..Hα-helixtrans-61.5-46.9172175.780.7000111.4E206 L207 R212 K213 N214 F216E206-W210 PolarHBondContact O-N 3.03Å; L207-W210 HydrophobicContact CD1-CE3 3.9Å; L207-W210 HydrophobicContact CD1-CZ3 4.19Å; L207-W210 PolarHBondContact O-N 3.22Å; W210-R212 PolarHBondContact O-N 2.97Å; W210-K213 PolarHBondContact O-N 2.93Å; W210-N214 VanDerWaalsContact CD1-ND2 3.34Å; W210-N214 PolarHBondContact NE1-ND2 3.43Å; W210-N214 PolarHBondContact O-N 3.06Å; W210-N214 VanDerWaalsContact O-N 3.09Å; W210-N214 PolarHBondContact O-ND2 2.98Å; W210-F216 HydrophobicContact CD2-CE2 4.07Å; W210-F216 HydrophobicContact CE3-CD2 4.4Å; W210-F216 AromaticContact CE3-CE2 3.69Å; W210-F216 HydrophobicContact CE3-CE2 3.69Å; W210-F216 HydrophobicContact CH2-CD2 4.43Å; W210-F216 AromaticContact CH2-CE2 3.34Å; W210-F216 HydrophobicContact CH2-CE2 3.34Å; W210-F216 AromaticContact CH2-CZ 3.73Å; W210-F216 HydrophobicContact CH2-CZ 3.73Å; W210-F216 AromaticContact CZ2-CE2 3.71Å; W210-F216 HydrophobicContact CZ2-CE2 3.71Å; W210-F216 AromaticContact CZ2-CZ 3.81Å; W210-F216 HydrophobicContact CZ2-CZ 3.81Å; W210-F216 HydrophobicContact CZ3-CD2 4.1Å; W210-F216 AromaticContact CZ3-CE2 3.34Å; W210-F216 HydrophobicContact CZ3-CE2 3.34Å; W210-F216 HydrophobicContact CZ3-CZ 4.21Å
211A71.6Confident76.5Confident30 Ų3094.3 Ų94.325%0.24849%0.487CS..Hα-helixtrans-62-44.1178.300000112.4L207 V208 N214 D215 F216L207-A211 WeakPolarHBondContact O-CB 3.49Å; L207-A211 PolarHBondContact O-N 2.91Å; V208-A211 PolarHBondContact O-N 2.93Å; A211-N214 PolarHBondContact O-N 3.01Å; A211-D215 PolarHBondContact O-N 2.85Å; A211-D215 VanDerWaalsContact O-N 3.13Å; A211-F216 HydrophobicContact CB-CD2 3.9Å; A211-F216 PolarHBondContact O-N 3.11Å; A211-F216 VanDerWaalsContact O-N 3.16Å
212R71.3Confident77Confident203 Ų20391 Ų9177%0.76648%0.478SS*.Hα-helixtrans-65.7-40.6176.5-163.3-176.988.3-177.55.3112.2V208 W210 N214 D215V208-R212 WeakPolarHBondContact O-CB 3.5Å; V208-R212 PolarHBondContact O-N 3.46Å; W210-R212 PolarHBondContact O-N 2.97Å; R212-N214 PolarHBondContact O-N 3.44Å; R212-D215 PolarHBondContact O-N 2.89Å; R212-D215 VanDerWaalsContact O-N 3.14Å
213K74Confident77.6Confident185 Ų18589.7 Ų89.780%0.80447%0.472SS*.Hα-helixtrans-62.4-33.1177-179.6176.8178.5179.10112A209 W210A209-K213 WeakPolarHBondContact O-CB 3.41Å; A209-K213 PolarHBondContact O-N 3Å; W210-K213 PolarHBondContact O-N 2.93Å
214N79.2Confident78.7Confident62 Ų6286.6 Ų86.633%0.33245%0.454SS..THydrogen-bonded Turntrans-91.21.6177.6-69.6-79.6000113.7W210 A211 R212 F216W210-N214 VanDerWaalsContact CD1-ND2 3.34Å; W210-N214 PolarHBondContact NE1-ND2 3.43Å; W210-N214 PolarHBondContact O-N 3.06Å; W210-N214 VanDerWaalsContact O-N 3.09Å; W210-N214 PolarHBondContact O-ND2 2.98Å; A211-N214 PolarHBondContact O-N 3.01Å; R212-N214 PolarHBondContact O-N 3.44Å; N214-F216 HydrophobicContact CB-CD1 3.94Å; N214-F216 HydrophobicContact CB-CD2 4.11Å; N214-F216 HydrophobicContact CB-CE1 3.47Å; N214-F216 VanDerWaalsContact CB-CE1 3.47Å; N214-F216 HydrophobicContact CB-CE2 3.62Å; N214-F216 HydrophobicContact CB-CG 4.23Å; N214-F216 HydrophobicContact CB-CZ 3.3Å; N214-F216 PolarHBondContact O-N 3.38Å
215D83.8Confident80.4Confident117 Ų11784.5 Ų84.563%0.62644%0.441SS*.THydrogen-bonded Turntrans50.740.8-177.6-161.933.2000113.3A211 R212 S217A211-D215 PolarHBondContact O-N 2.85Å; A211-D215 VanDerWaalsContact O-N 3.13Å; R212-D215 PolarHBondContact O-N 2.89Å; R212-D215 VanDerWaalsContact O-N 3.14Å; D215-S217 PolarHBondContact O-N 3.21Å; D215-S217 VanDerWaalsContact O-N 3.12Å
216F83.6Confident82.4Confident80 Ų8082.4 Ų82.435%0.35143%0.428SS..  trans-65.2115.9177.6-64.1-36.6000110.4W210 A211 N214W210-F216 HydrophobicContact CD2-CE2 4.07Å; W210-F216 HydrophobicContact CE3-CD2 4.4Å; W210-F216 AromaticContact CE3-CE2 3.69Å; W210-F216 HydrophobicContact CE3-CE2 3.69Å; W210-F216 HydrophobicContact CH2-CD2 4.43Å; W210-F216 AromaticContact CH2-CE2 3.34Å; W210-F216 HydrophobicContact CH2-CE2 3.34Å; W210-F216 AromaticContact CH2-CZ 3.73Å; W210-F216 HydrophobicContact CH2-CZ 3.73Å; W210-F216 AromaticContact CZ2-CE2 3.71Å; W210-F216 HydrophobicContact CZ2-CE2 3.71Å; W210-F216 AromaticContact CZ2-CZ 3.81Å; W210-F216 HydrophobicContact CZ2-CZ 3.81Å; W210-F216 HydrophobicContact CZ3-CD2 4.1Å; W210-F216 AromaticContact CZ3-CE2 3.34Å; W210-F216 HydrophobicContact CZ3-CE2 3.34Å; W210-F216 HydrophobicContact CZ3-CZ 4.21Å; A211-F216 HydrophobicContact CB-CD2 3.9Å; A211-F216 PolarHBondContact O-N 3.11Å; A211-F216 VanDerWaalsContact O-N 3.16Å; N214-F216 HydrophobicContact CB-CD1 3.94Å; N214-F216 HydrophobicContact CB-CD2 4.11Å; N214-F216 HydrophobicContact CB-CE1 3.47Å; N214-F216 VanDerWaalsContact CB-CE1 3.47Å; N214-F216 HydrophobicContact CB-CE2 3.62Å; N214-F216 HydrophobicContact CB-CG 4.23Å; N214-F216 HydrophobicContact CB-CZ 3.3Å; N214-F216 PolarHBondContact O-N 3.38Å
217S86.5Confident83.9Confident59 Ų5978.5 Ų78.541%0.41341%0.41SS..  trans-147.8146.9176.556.90000109.9D215D215-S217 PolarHBondContact O-N 3.21Å; D215-S217 VanDerWaalsContact O-N 3.12Å
218I90.2Very high85.5Confident96 Ų9672.2 Ų72.249%0.49238%0.377SS..  trans-123.8121.3170.6-59.7174.7000106.4L220 L302 I306I218-L220 HydrophobicContact CG2-CD1 3.85Å; I218-L220 HydrophobicContact CG2-CG 3.9Å; I218-L302 HydrophobicContact CD1-CD1 4.13Å; I218-L302 HydrophobicContact CD1-CD2 4.06Å; I218-L302 HydrophobicContact CG1-CD2 4.47Å; I218-I306 HydrophobicContact CD1-CD1 4.28Å
219S93.3Very high87.1Confident65 Ų6569.2 Ų69.246%0.45536%0.357SS..  trans-129.395.2176.4-175.90000107.8P221 Q280S219-P221 WeakPolarHBondContact O-CD 3.32Å; S219-Q280 PolarHBondContact O-NE2 3.09Å; S219-Q280 VanDerWaalsContact O-NE2 3.07Å; S219-Q280 PolarHBondContact O-OE1 2.96Å
220L95.2Very high88.7Confident39 Ų3968.9 Ų68.920%0.20435%0.354CS..  trans-120.874.1178.9-69.6176000110.7I218 R224 L225 L228 M277 L282 I306I218-L220 HydrophobicContact CG2-CD1 3.85Å; I218-L220 HydrophobicContact CG2-CG 3.9Å; L220-R224 HydrophobicContact CD2-CB 4.08Å; L220-L225 HydrophobicContact CB-CB 4.36Å; L220-L225 HydrophobicContact CD1-CD1 4.37Å; L220-L228 HydrophobicContact CD1-CD2 3.97Å; L220-L228 HydrophobicContact CD2-CD2 4.39Å; L220-M277 HydrophobicContact CD2-CE 3.62Å; L220-M277 HydrophobicContact CD2-SD 4.02Å; L220-L282 HydrophobicContact CD1-CD1 4.04Å; L220-L282 HydrophobicContact CD2-CD1 3.64Å; L220-L282 HydrophobicContact CG-CD1 4.09Å; L220-I306 HydrophobicContact CD1-CD1 4.08Å; L220-I306 HydrophobicContact CD1-CG2 4.06Å
221P95.1Very high89.8Confident63 Ų6362.9 Ų62.941%0.40933%0.331SS..  trans-55.9164.7164.5-20.931.5000111.7S219 D223 R224 L225S219-P221 WeakPolarHBondContact O-CD 3.32Å; P221-D223 VanDerWaalsContact C-N 3.26Å; P221-D223 WeakPolarHBondContact CB-OD1 3.49Å; P221-D223 PolarHBondContact O-N 3.17Å; P221-D223 VanDerWaalsContact O-N 3.13Å; P221-R224 HydrophobicContact CG-CG 4.46Å; P221-R224 WeakPolarHBondContact O-CA 3.25Å; P221-R224 WeakPolarHBondContact O-CB 3.41Å; P221-R224 PolarHBondContact O-N 3.01Å; P221-L225 PolarHBondContact O-N 2.92Å
222V96.1Very high90.9Very high107 Ų10762 Ų6265%0.64832%0.324SS*.Hα-helixtrans-55.3-38.3-170.5-170.90000112.9S226 F259V222-S226 VanDerWaalsContact O-CB 3.28Å; V222-S226 WeakPolarHBondContact O-CB 3.45Å; V222-S226 PolarHBondContact O-N 3.4Å; V222-S226 PolarHBondContact O-OG 3.35Å; V222-F259 HydrophobicContact CB-CZ 4.42Å; V222-F259 HydrophobicContact CG1-CE1 4.28Å; V222-F259 HydrophobicContact CG1-CZ 3.95Å
223D94.2Very high91.9Very high40 Ų4055.2 Ų55.221%0.21431%0.306CS..Hα-helixtrans-68.4-41.6176.466.3-47.2000112.4P221 S226 F227 F259P221-D223 VanDerWaalsContact C-N 3.26Å; P221-D223 WeakPolarHBondContact CB-OD1 3.49Å; P221-D223 PolarHBondContact O-N 3.17Å; P221-D223 VanDerWaalsContact O-N 3.13Å; D223-S226 PolarHBondContact O-N 2.9Å; D223-F227 WeakPolarHBondContact O-CB 3.22Å; D223-F227 PolarHBondContact O-N 3.26Å; D223-F259 HydrophobicContact CB-CD1 4.37Å; D223-F259 HydrophobicContact CB-CD2 4.25Å; D223-F259 HydrophobicContact CB-CE1 4.21Å; D223-F259 HydrophobicContact CB-CE2 4.11Å; D223-F259 HydrophobicContact CB-CG 4.39Å; D223-F259 HydrophobicContact CB-CZ 4.09Å
224R96.2Very high92.7Very high42 Ų4249.7 Ų49.716%0.15829%0.285CS..Hα-helixtrans-67.5-40.9176-68-53.5-159.7-148.17.4112.5L220 P221 F227 L228 A273 M277L220-R224 HydrophobicContact CD2-CB 4.08Å; P221-R224 HydrophobicContact CG-CG 4.46Å; P221-R224 WeakPolarHBondContact O-CA 3.25Å; P221-R224 WeakPolarHBondContact O-CB 3.41Å; P221-R224 PolarHBondContact O-N 3.01Å; R224-F227 PolarHBondContact O-N 3.24Å; R224-L228 PolarHBondContact O-N 3.47Å; R224-A273 VanDerWaalsContact CZ-CA 3.46Å; R224-M277 HydrophobicContact CB-CE 3.71Å; R224-M277 HydrophobicContact CG-CE 4.25Å; R224-M277 WeakPolarHBondContact O-CE 3.49Å
225L97.1Very high93.3Very high29 Ų2949.3 Ų49.315%0.15228%0.282CS..Hα-helixtrans-66-44.5175.3-178.359.7000110.6L220 P221 F227 L228 L229 I306 Y310L220-L225 HydrophobicContact CB-CB 4.36Å; L220-L225 HydrophobicContact CD1-CD1 4.37Å; P221-L225 PolarHBondContact O-N 2.92Å; L225-F227 VanDerWaalsContact C-N 3.27Å; L225-F227 PolarHBondContact O-N 2.92Å; L225-L228 PolarHBondContact O-N 3.2Å; L225-L228 VanDerWaalsContact O-N 3.14Å; L225-L229 HydrophobicContact CD1-CD1 4.24Å; L225-L229 HydrophobicContact CD1-CG 4.31Å; L225-L229 HydrophobicContact CG-CD1 3.8Å; L225-L229 HydrophobicContact CG-CG 4.38Å; L225-L229 WeakPolarHBondContact O-CB 3.28Å; L225-L229 WeakPolarHBondContact O-CD1 3.49Å; L225-L229 WeakPolarHBondContact O-CG 3.28Å; L225-L229 PolarHBondContact O-N 3.44Å; L225-I306 HydrophobicContact CD1-CG2 4.19Å; L225-Y310 HydrophobicContact CD1-CD2 4.27Å; L225-Y310 HydrophobicContact CD1-CE2 3.97Å; L225-Y310 HydrophobicContact CD2-CE1 4.49Å; L225-Y310 HydrophobicContact CD2-CE2 4Å
226S96.9Very high93.4Very high36 Ų3646.9 Ų46.925%0.25229%0.285SS..Hα-helixtrans-58.7-40175.1-59.90000111.8V222 D223 L229 A230V222-S226 VanDerWaalsContact O-CB 3.28Å; V222-S226 WeakPolarHBondContact O-CB 3.45Å; V222-S226 PolarHBondContact O-N 3.4Å; V222-S226 PolarHBondContact O-OG 3.35Å; D223-S226 PolarHBondContact O-N 2.9Å; S226-L229 PolarHBondContact O-N 3.17Å; S226-A230 WeakPolarHBondContact O-CB 3.46Å; S226-A230 PolarHBondContact O-N 3.44Å
227F97.4Very high93.5Very high0 Ų050.1 Ų50.10%030%0.301CS..Hα-helixtrans-63.2-48.2172.7178-125.1000112.5D223 R224 L225 L229 A230 V231 L248 A251 F252 V255 A273 I274 M277D223-F227 WeakPolarHBondContact O-CB 3.22Å; D223-F227 PolarHBondContact O-N 3.26Å; R224-F227 PolarHBondContact O-N 3.24Å; L225-F227 VanDerWaalsContact C-N 3.27Å; L225-F227 PolarHBondContact O-N 2.92Å; F227-L229 VanDerWaalsContact C-N 3.29Å; F227-L229 PolarHBondContact O-N 3.14Å; F227-A230 PolarHBondContact O-N 2.92Å; F227-V231 HydrophobicContact CD2-CG2 4.2Å; F227-V231 HydrophobicContact CE2-CG2 3.8Å; F227-V231 HydrophobicContact CZ-CG2 3.99Å; F227-V231 VanDerWaalsContact O-CG2 3.31Å; F227-V231 WeakPolarHBondContact O-CG2 3.37Å; F227-V231 PolarHBondContact O-N 2.89Å; F227-L248 WeakPolarHBondContact CE2-O 3.49Å; F227-L248 HydrophobicContact CZ-CB 4.44Å; F227-L248 HydrophobicContact CZ-CD2 4.29Å; F227-A251 HydrophobicContact CE2-CB 4.12Å; F227-F252 HydrophobicContact CB-CD2 4.49Å; F227-F252 HydrophobicContact CD1-CD2 4.07Å; F227-F252 HydrophobicContact CD2-CB 3.93Å; F227-F252 AromaticContact CD2-CD2 3.85Å; F227-F252 HydrophobicContact CD2-CD2 3.85Å; F227-F252 HydrophobicContact CD2-CG 4.39Å; F227-F252 HydrophobicContact CE1-CD2 4.23Å; F227-F252 HydrophobicContact CE2-CB 3.57Å; F227-F252 HydrophobicContact CE2-CD2 4.04Å; F227-F252 HydrophobicContact CE2-CG 4.33Å; F227-F252 AromaticContact CG-CD2 3.86Å; F227-F252 HydrophobicContact CG-CD2 3.86Å; F227-F252 HydrophobicContact CZ-CB 4.11Å; F227-F252 HydrophobicContact CZ-CD2 4.22Å; F227-V255 HydrophobicContact CB-CG1 4.38Å; F227-V255 HydrophobicContact CB-CG2 4.46Å; F227-A273 HydrophobicContact CD1-CB 4.09Å; F227-A273 HydrophobicContact CE1-CB 3.96Å; F227-I274 HydrophobicContact CE1-CG1 4.14Å; F227-I274 HydrophobicContact CZ-CG1 3.97Å; F227-M277 HydrophobicContact CD1-CE 4.4Å; F227-M277 HydrophobicContact CD1-CG 4.45Å; F227-M277 HydrophobicContact CE1-CG 4.36Å
228L96.9Very high93.5Very high1 Ų150.1 Ų50.11%0.00529%0.293CS..Hα-helixtrans-60.9-38.8177.5-171.569.4000112.1L220 R224 L225 V231 A232 M277 L282 L299 I306 T307L220-L228 HydrophobicContact CD1-CD2 3.97Å; L220-L228 HydrophobicContact CD2-CD2 4.39Å; R224-L228 PolarHBondContact O-N 3.47Å; L225-L228 PolarHBondContact O-N 3.2Å; L225-L228 VanDerWaalsContact O-N 3.14Å; L228-V231 WeakPolarHBondContact O-CB 3.48Å; L228-V231 PolarHBondContact O-N 2.9Å; L228-A232 PolarHBondContact O-N 3.41Å; L228-M277 HydrophobicContact CB-SD 4.43Å; L228-M277 HydrophobicContact CD1-SD 4.01Å; L228-L282 HydrophobicContact CD1-CB 4.18Å; L228-L282 HydrophobicContact CD2-CD1 4.24Å; L228-L299 HydrophobicContact CD1-CD2 3.79Å; L228-I306 HydrophobicContact CD2-CG2 4.13Å; L228-T307 HydrophobicContact CD2-CG2 3.95Å; L228-T307 HydrophobicContact CG-CG2 3.67Å
229L96.3Very high92.8Very high36 Ų3653.6 Ų53.619%0.18831%0.311CS..Hα-helixtrans-64.6-46175.3-70.2159.9000111.4L225 S226 F227 V231 A232 T233 Y310 I311L225-L229 HydrophobicContact CD1-CD1 4.24Å; L225-L229 HydrophobicContact CD1-CG 4.31Å; L225-L229 HydrophobicContact CG-CD1 3.8Å; L225-L229 HydrophobicContact CG-CG 4.38Å; L225-L229 WeakPolarHBondContact O-CB 3.28Å; L225-L229 WeakPolarHBondContact O-CD1 3.49Å; L225-L229 WeakPolarHBondContact O-CG 3.28Å; L225-L229 PolarHBondContact O-N 3.44Å; S226-L229 PolarHBondContact O-N 3.17Å; F227-L229 VanDerWaalsContact C-N 3.29Å; F227-L229 PolarHBondContact O-N 3.14Å; L229-V231 VanDerWaalsContact C-N 3.28Å; L229-V231 PolarHBondContact O-N 2.98Å; L229-A232 PolarHBondContact O-N 2.97Å; L229-A232 VanDerWaalsContact O-N 3.08Å; L229-T233 PolarHBondContact O-N 3.34Å; L229-T233 PolarHBondContact O-OG1 2.81Å; L229-T233 VanDerWaalsContact O-OG1 3.12Å; L229-Y310 VanDerWaalsContact CD2-CB 3.48Å; L229-Y310 HydrophobicContact CD2-CD2 4.17Å; L229-Y310 HydrophobicContact CD2-CG 4.1Å; L229-I311 HydrophobicContact CB-CD1 4.26Å; L229-I311 HydrophobicContact CD2-CD1 3.75Å; L229-I311 HydrophobicContact CD2-CG1 3.51Å; L229-I311 WeakPolarHBondContact O-CD1 3.32Å
230A95.6Very high92Very high28 Ų2857.6 Ų57.623%0.23133%0.328CS..Hα-helixtrans-58.8-41.3175.600000111.6S226 F227 T233 L234 V255S226-A230 WeakPolarHBondContact O-CB 3.46Å; S226-A230 PolarHBondContact O-N 3.44Å; F227-A230 PolarHBondContact O-N 2.92Å; A230-T233 PolarHBondContact O-N 3.46Å; A230-L234 WeakPolarHBondContact O-CG 3.33Å; A230-L234 PolarHBondContact O-N 3.24Å; A230-V255 HydrophobicContact CB-CG2 4.03Å
231V95.1Very high91.2Very high2 Ų258.6 Ų58.61%0.01235%0.347CS..Hα-helixtrans-61.2-43.9173.6171.70000111.2F227 L228 L229 L234 N235 M243 L248 L283 L299F227-V231 HydrophobicContact CD2-CG2 4.2Å; F227-V231 HydrophobicContact CE2-CG2 3.8Å; F227-V231 HydrophobicContact CZ-CG2 3.99Å; F227-V231 VanDerWaalsContact O-CG2 3.31Å; F227-V231 WeakPolarHBondContact O-CG2 3.37Å; F227-V231 PolarHBondContact O-N 2.89Å; L228-V231 WeakPolarHBondContact O-CB 3.48Å; L228-V231 PolarHBondContact O-N 2.9Å; L229-V231 VanDerWaalsContact C-N 3.28Å; L229-V231 PolarHBondContact O-N 2.98Å; V231-L234 PolarHBondContact O-N 3.35Å; V231-N235 VanDerWaalsContact O-CB 3.28Å; V231-N235 WeakPolarHBondContact O-CB 3.25Å; V231-N235 PolarHBondContact O-N 3.1Å; V231-M243 HydrophobicContact CG1-CE 4.04Å; V231-M243 HydrophobicContact CG1-SD 3.84Å; V231-M243 WeakPolarHBondContact O-CE 3.34Å; V231-L248 HydrophobicContact CB-CD2 4.24Å; V231-L248 HydrophobicContact CG1-CD2 3.86Å; V231-L248 HydrophobicContact CG2-CD2 3.33Å; V231-L283 HydrophobicContact CG1-CD2 4.19Å; V231-L299 HydrophobicContact CG1-CD2 4.31Å; V231-L299 HydrophobicContact CG1-CG 4.43Å
232A94.2Very high90.8Very high12 Ų1258.6 Ų58.610%0.09934%0.342CS..Hα-helixtrans-67-37.8177.400000113.6L228 L229 N235 G236 L299 T307 I311L228-A232 PolarHBondContact O-N 3.41Å; L229-A232 PolarHBondContact O-N 2.97Å; L229-A232 VanDerWaalsContact O-N 3.08Å; A232-N235 PolarHBondContact O-N 3.4Å; A232-G236 PolarHBondContact O-N 3.32Å; A232-L299 HydrophobicContact CB-CD1 3.79Å; A232-T307 VanDerWaalsContact CB-CB 3.47Å; A232-T307 HydrophobicContact CB-CG2 3.57Å; A232-I311 HydrophobicContact CB-CD1 3.53Å
233T92.7Very high90.5Very high61 Ų6153.6 Ų53.637%0.37431%0.311SS..Hα-helixtrans-60.3-48.8173.2-56.20000110.9L229 A230 N235 G236 E237L229-T233 PolarHBondContact O-N 3.34Å; L229-T233 PolarHBondContact O-OG1 2.81Å; L229-T233 VanDerWaalsContact O-OG1 3.12Å; A230-T233 PolarHBondContact O-N 3.46Å; T233-N235 VanDerWaalsContact C-N 3.28Å; T233-N235 PolarHBondContact O-N 3.19Å; T233-G236 PolarHBondContact O-N 3.29Å; T233-E237 PolarHBondContact O-N 3.32Å; T233-E237 VanDerWaalsContact O-N 3.16Å
234L91.6Very high90.5Very high69 Ų6952.1 Ų52.136%0.36130%0.304SS..Hα-helixtrans-63.9-33.4176.7-67.9175.5000112.8A230 V231 M243 A251A230-L234 WeakPolarHBondContact O-CG 3.33Å; A230-L234 PolarHBondContact O-N 3.24Å; V231-L234 PolarHBondContact O-N 3.35Å; L234-M243 HydrophobicContact CB-CE 3.8Å; L234-A251 HydrophobicContact CD1-CB 3.62Å
235N90.9Very high90.3Very high53 Ų5352.1 Ų52.128%0.28331%0.306SS..Hα-helixtrans-71.4-37.6176.2-171.866.1000112.1V231 A232 T233 R238 M243 L299V231-N235 VanDerWaalsContact O-CB 3.28Å; V231-N235 WeakPolarHBondContact O-CB 3.25Å; V231-N235 PolarHBondContact O-N 3.1Å; A232-N235 PolarHBondContact O-N 3.4Å; T233-N235 VanDerWaalsContact C-N 3.28Å; T233-N235 PolarHBondContact O-N 3.19Å; N235-R238 PolarHBondContact O-N 3.15Å; N235-M243 HydrophobicContact CB-CE 3.87Å; N235-L299 HydrophobicContact CB-CD1 4.25Å
236G86.7Confident90Very high67 Ų6751.3 Ų51.369%0.69131%0.305SS*.Hα-helixtrans-71.3-29.6179.800000114A232 T233 R238A232-G236 PolarHBondContact O-N 3.32Å; T233-G236 PolarHBondContact O-N 3.29Å; G236-R238 VanDerWaalsContact C-N 3.35Å
237E86Confident89.8Confident147 Ų14752.7 Ų52.769%0.68731%0.307SS*.THydrogen-bonded Turntrans-86.3-5.6177.1-67.3178.9-178.500113.4T233 L239T233-E237 PolarHBondContact O-N 3.32Å; T233-E237 VanDerWaalsContact O-N 3.16Å; E237-L239 PolarHBondContact O-N 2.98Å
238R86Confident89.7Confident60 Ų6052.7 Ų52.723%0.22631%0.307CS..  trans-74.5125.6-175-170.2173.2-61.9-107.1-7.3111.5N235 G236 D240 G241 E242 E247N235-R238 PolarHBondContact O-N 3.15Å; G236-R238 VanDerWaalsContact C-N 3.35Å; R238-D240 WeakPolarHBondContact CD-O 3.19Å; R238-D240 WeakPolarHBondContact CG-O 3.45Å; R238-G241 WeakPolarHBondContact CD-O 3.17Å; R238-E242 PolarHBondContact NH1-O 3.36Å; R238-E242 VanDerWaalsContact NH1-O 3.12Å; R238-E247 IonicContact CZ-OE1 3.38Å; R238-E247 IonicContact CZ-OE2 2.9Å; R238-E247 VanDerWaalsContact CZ-OE2 3.31Å; R238-E247 IonicContact NH1-OE1 3.57Å; R238-E247 PolarHBondContact NH1-OE1 2.78Å; R238-E247 IonicContact NH1-OE2 3.82Å; R238-E247 PolarHBondContact NH1-OE2 2.86Å; R238-E247 IonicContact NH2-OE1 2.82Å; R238-E247 PolarHBondContact NH2-OE1 3.25Å; R238-E247 IonicContact NH2-OE2 3.92Å; R238-E247 PolarHBondContact NH2-OE2 3.48Å
239L74.7Confident89.6Confident169 Ų16954 Ų5489%0.88532%0.315SS*.  trans-89.5-38.7174.8-69.3167.4000112.8E237E237-L239 PolarHBondContact O-N 2.98Å
240D76.4Confident89.4Confident149 Ų14955.5 Ų55.580%0.79732%0.323SS*.SBendtrans-142.5146.9-177.4-84-42.9000111.8R238R238-D240 WeakPolarHBondContact CD-O 3.19Å; R238-D240 WeakPolarHBondContact CG-O 3.45Å
241G79Confident89.4Confident59 Ų5954.4 Ų54.461%0.60831%0.314SS*.SBendtrans84.9176.8176.900000114.4R238R238-G241 WeakPolarHBondContact CD-O 3.17Å
242E86.9Confident89.5Confident64 Ų6454.5 Ų54.530%0.29931%0.314SS..  trans-108.8160.7172.9-63.2-76.4-168.800108.2R238 S244 I296 R298R238-E242 PolarHBondContact NH1-O 3.36Å; R238-E242 VanDerWaalsContact NH1-O 3.12Å; E242-S244 PolarHBondContact O-N 3.4Å; E242-I296 HydrophobicContact CB-CB 3.92Å; E242-I296 HydrophobicContact CB-CD1 3.98Å; E242-I296 HydrophobicContact CB-CG1 4.42Å; E242-I296 HydrophobicContact CB-CG2 4.21Å; E242-I296 HydrophobicContact CG-CD1 4.09Å; E242-R298 WeakPolarHBondContact OE1-CD 3.47Å; E242-R298 IonicContact OE1-CZ 3.23Å; E242-R298 IonicContact OE1-NE 3.86Å; E242-R298 IonicContact OE1-NH1 3.02Å; E242-R298 PolarHBondContact OE1-NH1 3.36Å; E242-R298 WeakPolarHBondContact OE2-CD 3.38Å; E242-R298 WeakPolarHBondContact OE2-CG 3.49Å; E242-R298 IonicContact OE2-NE 3.03Å
243M90.6Very high89.5Confident2 Ų258.7 Ų58.71%0.0133%0.328CS..EExtended strand (participates in β ladder)trans-71.9121.9-175.7-164.7169.7-5600111.4V231 L234 N235 E247 L248 I296 Y297V231-M243 HydrophobicContact CG1-CE 4.04Å; V231-M243 HydrophobicContact CG1-SD 3.84Å; V231-M243 WeakPolarHBondContact O-CE 3.34Å; L234-M243 HydrophobicContact CB-CE 3.8Å; N235-M243 HydrophobicContact CB-CE 3.87Å; M243-E247 HydrophobicContact CG-CB 3.9Å; M243-L248 HydrophobicContact CG-CD2 4.21Å; M243-L248 HydrophobicContact CG-CG 4.21Å; M243-L248 HydrophobicContact SD-CD2 3.33Å; M243-L248 WeakPolarHBondContact SD-CD2 3.49Å; M243-L248 HydrophobicContact SD-CG 3.98Å; M243-I296 CarbonylContact O-C 3.56Å; M243-I296 VanDerWaalsContact O-CA 3.24Å; M243-I296 WeakPolarHBondContact O-CA 3.3Å; M243-Y297 PolarHBondContact O-N 3.13Å
244S92.6Very high89.6Confident9 Ų962.2 Ų62.26%0.06334%0.34CS..EExtended strand (participates in β ladder)trans-76.6165.917776.10000112.4E242 G246 E247 L248 E292E242-S244 PolarHBondContact O-N 3.4Å; S244-G246 VanDerWaalsContact C-N 3.28Å; S244-G246 PolarHBondContact O-N 3.31Å; S244-E247 PolarHBondContact N-OE1 3.4Å; S244-E247 VanDerWaalsContact N-OE1 3.12Å; S244-E247 PolarHBondContact O-N 3.06Å; S244-E247 WeakPolarHBondContact OG-CG 3.35Å; S244-E247 PolarHBondContact OG-N 3.43Å; S244-E247 PolarHBondContact OG-OE1 2.98Å; S244-L248 PolarHBondContact O-N 3.04Å; S244-E292 WeakPolarHBondContact CB-O 3.49Å
245E92.9Very high89.9Confident41 Ų4159.7 Ų59.719%0.19233%0.327CS..Hα-helixtrans-63.8-35.7173.9-167.5159.9-118.300112E247 L248 V249 E292 A295 Y297E245-E247 VanDerWaalsContact C-N 3.32Å; E245-E247 PolarHBondContact O-N 3.15Å; E245-L248 PolarHBondContact O-N 2.86Å; E245-V249 HydrophobicContact CG-CG2 4.5Å; E245-V249 WeakPolarHBondContact O-CG2 3.44Å; E245-V249 PolarHBondContact O-N 3.35Å; E245-E292 PolarHBondContact N-O 3.13Å; E245-A295 PolarHBondContact N-O 3.42Å; E245-Y297 HydrophobicContact CB-CE2 3.8Å; E245-Y297 HydrophobicContact CG-CE2 3.99Å; E245-Y297 PolarHBondContact OE1-OH 3.13Å
246G91.2Very high90.1Very high13 Ų1357.1 Ų57.113%0.13431%0.313CS..Hα-helixtrans-58.4-44.9176.400000111.9S244 L248 V249 D250S244-G246 VanDerWaalsContact C-N 3.28Å; S244-G246 PolarHBondContact O-N 3.31Å; G246-L248 PolarHBondContact O-N 2.83Å; G246-V249 PolarHBondContact O-N 3.48Å; G246-D250 PolarHBondContact O-N 3.09Å
247E92.7Very high90.5Very high65 Ų6557.9 Ų57.930%0.30430%0.301SS..Hα-helixtrans-65.5-37.3178.5-65.2178.7-92.300112.4R238 M243 S244 E245 D250 A251R238-E247 IonicContact CZ-OE1 3.38Å; R238-E247 IonicContact CZ-OE2 2.9Å; R238-E247 VanDerWaalsContact CZ-OE2 3.31Å; R238-E247 IonicContact NH1-OE1 3.57Å; R238-E247 PolarHBondContact NH1-OE1 2.78Å; R238-E247 IonicContact NH1-OE2 3.82Å; R238-E247 PolarHBondContact NH1-OE2 2.86Å; R238-E247 IonicContact NH2-OE1 2.82Å; R238-E247 PolarHBondContact NH2-OE1 3.25Å; R238-E247 IonicContact NH2-OE2 3.92Å; R238-E247 PolarHBondContact NH2-OE2 3.48Å; M243-E247 HydrophobicContact CG-CB 3.9Å; S244-E247 PolarHBondContact N-OE1 3.4Å; S244-E247 VanDerWaalsContact N-OE1 3.12Å; S244-E247 PolarHBondContact O-N 3.06Å; S244-E247 WeakPolarHBondContact OG-CG 3.35Å; S244-E247 PolarHBondContact OG-N 3.43Å; S244-E247 PolarHBondContact OG-OE1 2.98Å; E245-E247 VanDerWaalsContact C-N 3.32Å; E245-E247 PolarHBondContact O-N 3.15Å; E247-D250 PolarHBondContact O-N 2.94Å; E247-A251 WeakPolarHBondContact O-CB 3.3Å; E247-A251 PolarHBondContact O-N 2.92Å
248L94.8Very high90.9Very high0 Ų054.7 Ų54.70%030%0.301CS..Hα-helixtrans-66-39.7172.7-74.3-175.3000112.6F227 V231 M243 S244 E245 G246 D250 A251 F252 I274 L283 Y297F227-L248 WeakPolarHBondContact CE2-O 3.49Å; F227-L248 HydrophobicContact CZ-CB 4.44Å; F227-L248 HydrophobicContact CZ-CD2 4.29Å; V231-L248 HydrophobicContact CB-CD2 4.24Å; V231-L248 HydrophobicContact CG1-CD2 3.86Å; V231-L248 HydrophobicContact CG2-CD2 3.33Å; M243-L248 HydrophobicContact CG-CD2 4.21Å; M243-L248 HydrophobicContact CG-CG 4.21Å; M243-L248 HydrophobicContact SD-CD2 3.33Å; M243-L248 WeakPolarHBondContact SD-CD2 3.49Å; M243-L248 HydrophobicContact SD-CG 3.98Å; S244-L248 PolarHBondContact O-N 3.04Å; E245-L248 PolarHBondContact O-N 2.86Å; G246-L248 PolarHBondContact O-N 2.83Å; L248-D250 VanDerWaalsContact C-N 3.33Å; L248-A251 PolarHBondContact O-N 2.84Å; L248-F252 WeakPolarHBondContact O-CB 3.47Å; L248-F252 PolarHBondContact O-N 3.03Å; L248-I274 HydrophobicContact CB-CD1 3.65Å; L248-I274 HydrophobicContact CB-CG1 4.19Å; L248-I274 HydrophobicContact CD1-CD1 4.11Å; L248-I274 HydrophobicContact CD1-CG1 4.09Å; L248-I274 HydrophobicContact CD1-CG2 3.97Å; L248-L283 HydrophobicContact CD1-CD1 4.25Å; L248-Y297 HydrophobicContact CD1-CD1 3.82Å; L248-Y297 HydrophobicContact CD1-CD2 3.34Å; L248-Y297 HydrophobicContact CD1-CE1 4.22Å; L248-Y297 HydrophobicContact CD1-CE2 3.8Å; L248-Y297 HydrophobicContact CD1-CG 3.34Å; L248-Y297 HydrophobicContact CG-CD2 4.3Å; L248-Y297 HydrophobicContact CG-CG 4.5Å
249V94.6Very high91.3Very high29 Ų2955.7 Ų55.718%0.17631%0.306CS..Hα-helixtrans-67.2-37.4177.7172.40000110.9E245 G246 F252 R253 A270 I274E245-V249 HydrophobicContact CG-CG2 4.5Å; E245-V249 WeakPolarHBondContact O-CG2 3.44Å; E245-V249 PolarHBondContact O-N 3.35Å; G246-V249 PolarHBondContact O-N 3.48Å; V249-F252 PolarHBondContact O-N 3.41Å; V249-R253 PolarHBondContact O-N 3.21Å; V249-A270 HydrophobicContact CG1-CB 4.32Å; V249-A270 HydrophobicContact CG2-CB 4.17Å; V249-I274 HydrophobicContact CG2-CD1 4.15Å
250D93.1Very high92.2Very high66 Ų6656.6 Ų56.635%0.35331%0.306SS..Hα-helixtrans-68.9-42.2175.4-73.8-13.4000111.9G246 E247 L248 F252 R253 H254G246-D250 PolarHBondContact O-N 3.09Å; E247-D250 PolarHBondContact O-N 2.94Å; L248-D250 VanDerWaalsContact C-N 3.33Å; D250-F252 VanDerWaalsContact C-N 3.31Å; D250-F252 PolarHBondContact O-N 3.47Å; D250-R253 WeakPolarHBondContact O-CB 3.41Å; D250-R253 PolarHBondContact O-N 2.69Å; D250-R253 VanDerWaalsContact O-N 3.14Å; D250-R253 IonicContact OD1-CZ 3.53Å; D250-R253 IonicContact OD1-NH1 3.64Å; D250-R253 PolarHBondContact OD1-NH1 2.9Å; D250-R253 IonicContact OD1-NH2 3.34Å; D250-R253 PolarHBondContact OD1-NH2 3.29Å; D250-H254 PolarHBondContact O-N 3.49Å; D250-H254 VanDerWaalsContact O-N 3.15Å
251A94.8Very high92.7Very high5 Ų552.3 Ų52.34%0.04128%0.282CS..Hα-helixtrans-59-43.3171.300000111.6F227 L234 E247 L248 R253 H254 V255F227-A251 HydrophobicContact CE2-CB 4.12Å; L234-A251 HydrophobicContact CD1-CB 3.62Å; E247-A251 WeakPolarHBondContact O-CB 3.3Å; E247-A251 PolarHBondContact O-N 2.92Å; L248-A251 PolarHBondContact O-N 2.84Å; A251-R253 VanDerWaalsContact C-N 3.3Å; A251-R253 PolarHBondContact O-N 3.38Å; A251-H254 PolarHBondContact O-N 3Å; A251-V255 PolarHBondContact O-N 2.92Å; A251-V255 VanDerWaalsContact O-N 3.17Å
252F96.5Very high93.1Very high4 Ų454 Ų542%0.01828%0.28CS..Hα-helixtrans-64.2-35.7176-171.2-90.6000112F227 L248 V249 D250 V255 S256 I266 R269 A270 A273F227-F252 HydrophobicContact CB-CD2 4.49Å; F227-F252 HydrophobicContact CD1-CD2 4.07Å; F227-F252 HydrophobicContact CD2-CB 3.93Å; F227-F252 AromaticContact CD2-CD2 3.85Å; F227-F252 HydrophobicContact CD2-CD2 3.85Å; F227-F252 HydrophobicContact CD2-CG 4.39Å; F227-F252 HydrophobicContact CE1-CD2 4.23Å; F227-F252 HydrophobicContact CE2-CB 3.57Å; F227-F252 HydrophobicContact CE2-CD2 4.04Å; F227-F252 HydrophobicContact CE2-CG 4.33Å; F227-F252 AromaticContact CG-CD2 3.86Å; F227-F252 HydrophobicContact CG-CD2 3.86Å; F227-F252 HydrophobicContact CZ-CB 4.11Å; F227-F252 HydrophobicContact CZ-CD2 4.22Å; L248-F252 WeakPolarHBondContact O-CB 3.47Å; L248-F252 PolarHBondContact O-N 3.03Å; V249-F252 PolarHBondContact O-N 3.41Å; D250-F252 VanDerWaalsContact C-N 3.31Å; D250-F252 PolarHBondContact O-N 3.47Å; F252-V255 PolarHBondContact O-N 2.96Å; F252-S256 WeakPolarHBondContact O-CB 3.43Å; F252-S256 PolarHBondContact O-N 2.91Å; F252-I266 HydrophobicContact CD1-CG2 4.33Å; F252-R269 HydrophobicContact CE1-CB 3.79Å; F252-R269 HydrophobicContact CZ-CB 3.92Å; F252-A270 HydrophobicContact CB-CB 3.91Å; F252-A270 HydrophobicContact CD1-CB 3.45Å; F252-A270 VanDerWaalsContact CD1-CB 3.45Å; F252-A270 HydrophobicContact CE1-CB 4.11Å; F252-A270 HydrophobicContact CG-CB 3.68Å; F252-A273 HydrophobicContact CD2-CB 3.63Å; F252-A273 HydrophobicContact CE2-CB 3.39Å; F252-A273 HydrophobicContact CZ-CB 4.25Å
253R95.4Very high93.2Very high100 Ų10055 Ų5538%0.37729%0.294SS..Hα-helixtrans-59.8-49.3176-171.1-179.7-57.4123.914.7110.7V249 D250 A251 V255 S256 D257 I266V249-R253 PolarHBondContact O-N 3.21Å; D250-R253 WeakPolarHBondContact O-CB 3.41Å; D250-R253 PolarHBondContact O-N 2.69Å; D250-R253 VanDerWaalsContact O-N 3.14Å; D250-R253 IonicContact OD1-CZ 3.53Å; D250-R253 IonicContact OD1-NH1 3.64Å; D250-R253 PolarHBondContact OD1-NH1 2.9Å; D250-R253 IonicContact OD1-NH2 3.34Å; D250-R253 PolarHBondContact OD1-NH2 3.29Å; A251-R253 VanDerWaalsContact C-N 3.3Å; A251-R253 PolarHBondContact O-N 3.38Å; R253-V255 VanDerWaalsContact C-N 3.32Å; R253-V255 PolarHBondContact O-N 3.42Å; R253-S256 WeakPolarHBondContact O-CB 3.32Å; R253-S256 PolarHBondContact O-N 2.88Å; R253-D257 VanDerWaalsContact O-CG 3.24Å; R253-D257 PolarHBondContact O-N 3.19Å; R253-I266 HydrophobicContact CB-CG2 4.3Å; R253-I266 HydrophobicContact CG-CD1 4.04Å; R253-I266 HydrophobicContact CG-CG2 4.42Å
254H95.3Very high93.1Very high136 Ų13663.8 Ų63.863%0.6334%0.335SS*.Hα-helixtrans-60.5-40.3177.7-65.5169.4000112.7D250 A251 D257 A258D250-H254 PolarHBondContact O-N 3.49Å; D250-H254 VanDerWaalsContact O-N 3.15Å; A251-H254 PolarHBondContact O-N 3Å; H254-D257 PolarHBondContact O-N 3.34Å; H254-A258 PolarHBondContact O-N 3.42Å
255V96Very high93Very high15 Ų1566.3 Ų66.39%0.09135%0.35CS..Hα-helixtrans-67.5-44.8175.3176.90000111F227 A230 A251 F252 R253 D257 A258 F259F227-V255 HydrophobicContact CB-CG1 4.38Å; F227-V255 HydrophobicContact CB-CG2 4.46Å; A230-V255 HydrophobicContact CB-CG2 4.03Å; A251-V255 PolarHBondContact O-N 2.92Å; A251-V255 VanDerWaalsContact O-N 3.17Å; F252-V255 PolarHBondContact O-N 2.96Å; R253-V255 VanDerWaalsContact C-N 3.32Å; R253-V255 PolarHBondContact O-N 3.42Å; V255-D257 VanDerWaalsContact C-N 3.27Å; V255-D257 PolarHBondContact O-N 3.24Å; V255-A258 WeakPolarHBondContact O-CB 3.39Å; V255-A258 PolarHBondContact O-N 2.61Å; V255-A258 VanDerWaalsContact O-N 3.13Å; V255-F259 HydrophobicContact CG1-CD2 3.89Å; V255-F259 HydrophobicContact CG1-CE2 3.93Å; V255-F259 WeakPolarHBondContact O-CD2 3.49Å; V255-F259 PolarHBondContact O-N 3.01Å; V255-F259 VanDerWaalsContact O-N 3.13Å
256S95.6Very high93Very high0 Ų065 Ų650%035%0.345CS..Hα-helixtrans-57.7-40.2176.4178.30000112.3F252 R253 F259 E260 Q261 R269F252-S256 WeakPolarHBondContact O-CB 3.43Å; F252-S256 PolarHBondContact O-N 2.91Å; R253-S256 WeakPolarHBondContact O-CB 3.32Å; R253-S256 PolarHBondContact O-N 2.88Å; S256-F259 PolarHBondContact O-N 3.36Å; S256-E260 PolarHBondContact O-N 3.27Å; S256-Q261 PolarHBondContact O-N 3.23Å; S256-R269 PolarHBondContact OG-NH1 3.45Å; S256-R269 PolarHBondContact OG-NH2 2.88Å
257D94.6Very high93Very high82 Ų8266.4 Ų66.444%0.43936%0.358SS..Hα-helixtrans-67.8-38.2177.6-66.5-20.5000111.3R253 H254 V255 F259 E260R253-D257 VanDerWaalsContact O-CG 3.24Å; R253-D257 PolarHBondContact O-N 3.19Å; H254-D257 PolarHBondContact O-N 3.34Å; V255-D257 VanDerWaalsContact C-N 3.27Å; V255-D257 PolarHBondContact O-N 3.24Å; D257-F259 VanDerWaalsContact C-N 3.27Å; D257-F259 PolarHBondContact O-N 3.14Å; D257-E260 PolarHBondContact O-N 2.9Å; D257-E260 VanDerWaalsContact O-N 3.15Å
258A95.6Very high93Very high81 Ų8167.9 Ų67.967%0.66937%0.372SS*.Hα-helixtrans-65.6-26.7175.700000113.8H254 V255H254-A258 PolarHBondContact O-N 3.42Å; V255-A258 WeakPolarHBondContact O-CB 3.39Å; V255-A258 PolarHBondContact O-N 2.61Å; V255-A258 VanDerWaalsContact O-N 3.13Å
259F94.5Very high93Very high80 Ų8070.2 Ų70.235%0.35138%0.381SS..THydrogen-bonded Turntrans-95.311.2175.1-77.9-91000113.5V222 D223 V255 S256 D257 Q261V222-F259 HydrophobicContact CB-CZ 4.42Å; V222-F259 HydrophobicContact CG1-CE1 4.28Å; V222-F259 HydrophobicContact CG1-CZ 3.95Å; D223-F259 HydrophobicContact CB-CD1 4.37Å; D223-F259 HydrophobicContact CB-CD2 4.25Å; D223-F259 HydrophobicContact CB-CE1 4.21Å; D223-F259 HydrophobicContact CB-CE2 4.11Å; D223-F259 HydrophobicContact CB-CG 4.39Å; D223-F259 HydrophobicContact CB-CZ 4.09Å; V255-F259 HydrophobicContact CG1-CD2 3.89Å; V255-F259 HydrophobicContact CG1-CE2 3.93Å; V255-F259 WeakPolarHBondContact O-CD2 3.49Å; V255-F259 PolarHBondContact O-N 3.01Å; V255-F259 VanDerWaalsContact O-N 3.13Å; S256-F259 PolarHBondContact O-N 3.36Å; D257-F259 VanDerWaalsContact C-N 3.27Å; D257-F259 PolarHBondContact O-N 3.14Å; F259-Q261 HydrophobicContact CB-CG 3.92Å; F259-Q261 PolarHBondContact O-N 3.24Å; F259-Q261 VanDerWaalsContact O-N 3.14Å
260E92.7Very high93Very high188 Ų18868.9 Ų68.988%0.87937%0.372SS*.THydrogen-bonded Turntrans53.633.4179.6-57.7180-172.500113.6S256 D257S256-E260 PolarHBondContact O-N 3.27Å; D257-E260 PolarHBondContact O-N 2.9Å; D257-E260 VanDerWaalsContact O-N 3.15Å
261Q87.8Confident93.1Very high60 Ų6068.9 Ų68.928%0.2837%0.372SS..  trans-85.3155.8-177.4-64.8175.9-16.400112.2S256 F259 S263S256-Q261 PolarHBondContact O-N 3.23Å; F259-Q261 HydrophobicContact CB-CG 3.92Å; F259-Q261 PolarHBondContact O-N 3.24Å; F259-Q261 VanDerWaalsContact O-N 3.14Å; Q261-S263 PolarHBondContact O-N 3.39Å
262T87.6Confident93.1Very high93 Ų9373 Ų7357%0.57139%0.393SS*.  trans-61.6124.8-173.5-41.10000113.4E264 T265 R269T262-E264 HydrophobicContact CG2-CB 4.45Å; T262-E264 PolarHBondContact O-N 2.94Å; T262-T265 PolarHBondContact O-OG1 3.23Å; T262-R269 PolarHBondContact O-NH2 3.05Å
263S87.8Confident93.1Very high85 Ų8572.8 Ų72.859%0.59439%0.393SS*.G310 helixtrans-68-30.3-176-45.20000114.4Q261 T265 I266Q261-S263 PolarHBondContact O-N 3.39Å; S263-T265 PolarHBondContact O-N 3.33Å; S263-I266 WeakPolarHBondContact O-CG1 3.39Å; S263-I266 PolarHBondContact O-N 3.26Å
264E88.3Confident93.1Very high187 Ų18768 Ų6887%0.87438%0.375SS*.G310 helixtrans-62.8-26.3-177.1-64.8-174.2174.300113.7T262T262-E264 HydrophobicContact CG2-CB 4.45Å; T262-E264 PolarHBondContact O-N 2.94Å
265T91.4Very high93.1Very high62 Ų6265 Ų6538%0.3836%0.363SS..G310 helixtrans-1035.8-174.655.70000113.7T262 S263 G267 V268 R269T262-T265 PolarHBondContact O-OG1 3.23Å; S263-T265 PolarHBondContact O-N 3.33Å; T265-G267 PolarHBondContact O-N 2.93Å; T265-V268 PolarHBondContact O-N 3.42Å; T265-R269 WeakPolarHBondContact O-CG 3.48Å; T265-R269 PolarHBondContact O-N 2.92Å; T265-R269 PolarHBondContact OG1-NE 3.37Å
266I92.4Very high93Very high15 Ų1565.4 Ų65.48%0.07737%0.365CS..Hα-helixtrans-56.2-46.9-172.6-72.3177.2000111.9F252 R253 S263 V268 R269 A270F252-I266 HydrophobicContact CD1-CG2 4.33Å; R253-I266 HydrophobicContact CB-CG2 4.3Å; R253-I266 HydrophobicContact CG-CD1 4.04Å; R253-I266 HydrophobicContact CG-CG2 4.42Å; S263-I266 WeakPolarHBondContact O-CG1 3.39Å; S263-I266 PolarHBondContact O-N 3.26Å; I266-V268 PolarHBondContact O-N 3.25Å; I266-R269 PolarHBondContact O-N 2.83Å; I266-A270 WeakPolarHBondContact O-CB 3.33Å; I266-A270 PolarHBondContact O-N 3.43Å
267G90.7Very high93.1Very high41 Ų4165.4 Ų65.442%0.42337%0.365SS..Hα-helixtrans-60-42.1-178.100000113.4T265 N271T265-G267 PolarHBondContact O-N 2.93Å; G267-N271 WeakPolarHBondContact O-CB 3.42Å; G267-N271 PolarHBondContact O-N 3.14Å; G267-N271 VanDerWaalsContact O-N 3.15Å; G267-N271 PolarHBondContact O-ND2 3.27Å
268V93.8Very high93.1Very high96 Ų9663.4 Ų63.458%0.58236%0.356SS*.Hα-helixtrans-70.4-43177.9179.60000110.7T265 I266 N271 N272T265-V268 PolarHBondContact O-N 3.42Å; I266-V268 PolarHBondContact O-N 3.25Å; V268-N271 PolarHBondContact O-N 3.36Å; V268-N272 WeakPolarHBondContact O-CB 3.28Å; V268-N272 VanDerWaalsContact O-CG 3.24Å; V268-N272 PolarHBondContact O-N 3.1Å; V268-N272 PolarHBondContact O-ND2 3.03Å
269R94.2Very high93.1Very high50 Ų5067.8 Ų67.819%0.18936%0.355CS..Hα-helixtrans-68.4-36.5-179.7-68.1-171.7-63.1111.4-2.8112.4F252 S256 T262 T265 I266 N272 A273F252-R269 HydrophobicContact CE1-CB 3.79Å; F252-R269 HydrophobicContact CZ-CB 3.92Å; S256-R269 PolarHBondContact OG-NH1 3.45Å; S256-R269 PolarHBondContact OG-NH2 2.88Å; T262-R269 PolarHBondContact O-NH2 3.05Å; T265-R269 WeakPolarHBondContact O-CG 3.48Å; T265-R269 PolarHBondContact O-N 2.92Å; T265-R269 PolarHBondContact OG1-NE 3.37Å; I266-R269 PolarHBondContact O-N 2.83Å; R269-N272 PolarHBondContact O-N 3.33Å; R269-A273 WeakPolarHBondContact O-CB 3.11Å; R269-A273 PolarHBondContact O-N 3.06Å
270A95Very high93Very high0 Ų064.4 Ų64.40%034%0.34CS..Hα-helixtrans-62.6-50173.700000110.6V249 F252 I266 N272 A273 I274V249-A270 HydrophobicContact CG1-CB 4.32Å; V249-A270 HydrophobicContact CG2-CB 4.17Å; F252-A270 HydrophobicContact CB-CB 3.91Å; F252-A270 HydrophobicContact CD1-CB 3.45Å; F252-A270 VanDerWaalsContact CD1-CB 3.45Å; F252-A270 HydrophobicContact CE1-CB 4.11Å; F252-A270 HydrophobicContact CG-CB 3.68Å; I266-A270 WeakPolarHBondContact O-CB 3.33Å; I266-A270 PolarHBondContact O-N 3.43Å; A270-N272 VanDerWaalsContact C-N 3.31Å; A270-N272 PolarHBondContact O-N 2.9Å; A270-A273 WeakPolarHBondContact O-CA 3.42Å; A270-A273 VanDerWaalsContact O-CB 3.25Å; A270-A273 WeakPolarHBondContact O-CB 3.31Å; A270-A273 PolarHBondContact O-N 2.99Å; A270-I274 VanDerWaalsContact O-CG1 3.29Å; A270-I274 WeakPolarHBondContact O-CG1 3.39Å; A270-I274 PolarHBondContact O-N 3.28Å
271N94.2Very high93.1Very high67 Ų6762 Ų6236%0.35832%0.323SS..Hα-helixtrans-59.1-41.9176.3-81-34.5000112.4G267 V268 A273 I274 N275G267-N271 WeakPolarHBondContact O-CB 3.42Å; G267-N271 PolarHBondContact O-N 3.14Å; G267-N271 VanDerWaalsContact O-N 3.15Å; G267-N271 PolarHBondContact O-ND2 3.27Å; V268-N271 PolarHBondContact O-N 3.36Å; N271-A273 VanDerWaalsContact C-N 3.34Å; N271-I274 PolarHBondContact O-N 3.13Å; N271-N275 VanDerWaalsContact O-CB 3.28Å; N271-N275 WeakPolarHBondContact O-CB 3.41Å; N271-N275 VanDerWaalsContact O-CG 3.24Å; N271-N275 PolarHBondContact O-N 2.96Å; N271-N275 PolarHBondContact O-ND2 2.82Å; N271-N275 VanDerWaalsContact O-ND2 3.09Å
272N95.3Very high93.6Very high90 Ų9059.1 Ų59.148%0.48131%0.31SS..Hα-helixtrans-63.8-39.1174.1-70.3-17.8000112.1V268 R269 A270 D276V268-N272 WeakPolarHBondContact O-CB 3.28Å; V268-N272 VanDerWaalsContact O-CG 3.24Å; V268-N272 PolarHBondContact O-N 3.1Å; V268-N272 PolarHBondContact O-ND2 3.03Å; R269-N272 PolarHBondContact O-N 3.33Å; A270-N272 VanDerWaalsContact C-N 3.31Å; A270-N272 PolarHBondContact O-N 2.9Å; N272-D276 VanDerWaalsContact O-CB 3.22Å; N272-D276 WeakPolarHBondContact O-CB 3.48Å; N272-D276 PolarHBondContact O-N 2.93Å
273A96.2Very high94Very high0 Ų054.8 Ų54.80%028%0.283CS..Hα-helixtrans-60.9-53.217500000111.5R224 F227 F252 R269 A270 N271 N275 D276 M277R224-A273 VanDerWaalsContact CZ-CA 3.46Å; F227-A273 HydrophobicContact CD1-CB 4.09Å; F227-A273 HydrophobicContact CE1-CB 3.96Å; F252-A273 HydrophobicContact CD2-CB 3.63Å; F252-A273 HydrophobicContact CE2-CB 3.39Å; F252-A273 HydrophobicContact CZ-CB 4.25Å; R269-A273 WeakPolarHBondContact O-CB 3.11Å; R269-A273 PolarHBondContact O-N 3.06Å; A270-A273 WeakPolarHBondContact O-CA 3.42Å; A270-A273 VanDerWaalsContact O-CB 3.25Å; A270-A273 WeakPolarHBondContact O-CB 3.31Å; A270-A273 PolarHBondContact O-N 2.99Å; N271-A273 VanDerWaalsContact C-N 3.34Å; A273-N275 PolarHBondContact O-N 3.36Å; A273-D276 PolarHBondContact O-N 3.37Å; A273-M277 VanDerWaalsContact O-CG 3.25Å; A273-M277 WeakPolarHBondContact O-CG 3.5Å; A273-M277 PolarHBondContact O-N 3.42Å
274I96Very high94.4Very high0 Ų054.5 Ų54.50%028%0.275CS..Hα-helixtrans-63.5-44.5-177-62.9166000110.2F227 L248 V249 A270 N271 D276 M277 V278 Y297F227-I274 HydrophobicContact CE1-CG1 4.14Å; F227-I274 HydrophobicContact CZ-CG1 3.97Å; L248-I274 HydrophobicContact CB-CD1 3.65Å; L248-I274 HydrophobicContact CB-CG1 4.19Å; L248-I274 HydrophobicContact CD1-CD1 4.11Å; L248-I274 HydrophobicContact CD1-CG1 4.09Å; L248-I274 HydrophobicContact CD1-CG2 3.97Å; V249-I274 HydrophobicContact CG2-CD1 4.15Å; A270-I274 VanDerWaalsContact O-CG1 3.29Å; A270-I274 WeakPolarHBondContact O-CG1 3.39Å; A270-I274 PolarHBondContact O-N 3.28Å; N271-I274 PolarHBondContact O-N 3.13Å; I274-D276 VanDerWaalsContact C-N 3.31Å; I274-D276 PolarHBondContact O-N 3.33Å; I274-M277 PolarHBondContact O-N 2.69Å; I274-V278 WeakPolarHBondContact O-CG2 3.33Å; I274-V278 PolarHBondContact O-N 2.67Å; I274-Y297 HydrophobicContact CG2-CD1 4.1Å; I274-Y297 HydrophobicContact CG2-CE1 3.32Å; I274-Y297 HydrophobicContact CG2-CE2 4.35Å; I274-Y297 VanDerWaalsContact CG2-CZ 3.46Å; I274-Y297 WeakPolarHBondContact CG2-OH 3.46Å
275N95.4Very high94.7Very high72 Ų7250.1 Ų50.139%0.38525%0.25SS..Hα-helixtrans-61.4-39.5176.3-76.5-33.6000112.4N271 A273 V278 R279 R285N271-N275 VanDerWaalsContact O-CB 3.28Å; N271-N275 WeakPolarHBondContact O-CB 3.41Å; N271-N275 VanDerWaalsContact O-CG 3.24Å; N271-N275 PolarHBondContact O-N 2.96Å; N271-N275 PolarHBondContact O-ND2 2.82Å; N271-N275 VanDerWaalsContact O-ND2 3.09Å; A273-N275 PolarHBondContact O-N 3.36Å; N275-V278 PolarHBondContact O-N 3.2Å; N275-R279 WeakPolarHBondContact O-CB 3.28Å; N275-R279 PolarHBondContact O-N 3.37Å; N275-R285 PolarHBondContact OD1-NH1 3.36Å; N275-R285 PolarHBondContact OD1-NH2 3.12Å
276D94.6Very high94.8Very high24 Ų2451.9 Ų51.913%0.12825%0.253CS..Hα-helixtrans-67.7-41.5176.8-17442.8000111.7N272 A273 I274 V278 R279 Q280N272-D276 VanDerWaalsContact O-CB 3.22Å; N272-D276 WeakPolarHBondContact O-CB 3.48Å; N272-D276 PolarHBondContact O-N 2.93Å; A273-D276 PolarHBondContact O-N 3.37Å; I274-D276 VanDerWaalsContact C-N 3.31Å; I274-D276 PolarHBondContact O-N 3.33Å; D276-V278 VanDerWaalsContact C-N 3.3Å; D276-V278 PolarHBondContact O-N 3.33Å; D276-R279 PolarHBondContact O-N 3.22Å; D276-R279 IonicContact OD1-CZ 2.76Å; D276-R279 IonicContact OD1-NE 3.99Å; D276-R279 PolarHBondContact OD1-NE 3.13Å; D276-R279 IonicContact OD1-NH2 3.01Å; D276-R279 PolarHBondContact OD1-NH2 3.11Å; D276-Q280 WeakPolarHBondContact O-CB 3.43Å; D276-Q280 WeakPolarHBondContact O-CG 3.41Å; D276-Q280 PolarHBondContact O-N 3.43Å; D276-Q280 PolarHBondContact OD1-NE2 3.29Å; D276-Q280 PolarHBondContact OD2-NE2 3.14Å
277M96.4Very high94.8Very high0 Ų057.1 Ų57.10%029%0.286CS..Hα-helixtrans-59.8-39.3173.6-66.4-66151.700112.3L220 R224 F227 L228 A273 I274 R281 L282 L283L220-M277 HydrophobicContact CD2-CE 3.62Å; L220-M277 HydrophobicContact CD2-SD 4.02Å; R224-M277 HydrophobicContact CB-CE 3.71Å; R224-M277 HydrophobicContact CG-CE 4.25Å; R224-M277 WeakPolarHBondContact O-CE 3.49Å; F227-M277 HydrophobicContact CD1-CE 4.4Å; F227-M277 HydrophobicContact CD1-CG 4.45Å; F227-M277 HydrophobicContact CE1-CG 4.36Å; L228-M277 HydrophobicContact CB-SD 4.43Å; L228-M277 HydrophobicContact CD1-SD 4.01Å; A273-M277 VanDerWaalsContact O-CG 3.25Å; A273-M277 WeakPolarHBondContact O-CG 3.5Å; A273-M277 PolarHBondContact O-N 3.42Å; I274-M277 PolarHBondContact O-N 2.69Å; M277-R281 PolarHBondContact O-N 3.04Å; M277-L282 HydrophobicContact CB-CB 4.48Å; M277-L282 WeakPolarHBondContact O-CB 3.38Å; M277-L282 PolarHBondContact O-N 2.88Å; M277-L282 HydrophobicContact SD-CB 4.28Å; M277-L282 HydrophobicContact SD-CD1 3.52Å; M277-L282 VanDerWaalsContact SD-CD1 3.52Å; M277-L283 HydrophobicContact CB-CB 4.36Å; M277-L283 HydrophobicContact CB-CD1 3.74Å; M277-L283 HydrophobicContact CB-CG 4.1Å; M277-L283 HydrophobicContact CG-CD1 4.31Å; M277-L283 PolarHBondContact O-N 3.04Å
278V96.2Very high94.8Very high41 Ų4156.8 Ų56.825%0.24828%0.277CS..Hα-helixtrans-69.2-43.8174.9174.90000111.2I274 N275 D276 Q280 R281 L283 R285 Y297I274-V278 WeakPolarHBondContact O-CG2 3.33Å; I274-V278 PolarHBondContact O-N 2.67Å; N275-V278 PolarHBondContact O-N 3.2Å; D276-V278 VanDerWaalsContact C-N 3.3Å; D276-V278 PolarHBondContact O-N 3.33Å; V278-Q280 VanDerWaalsContact C-N 3.33Å; V278-Q280 PolarHBondContact O-N 3.47Å; V278-R281 PolarHBondContact O-N 3.49Å; V278-L283 WeakPolarHBondContact CA-O 3.4Å; V278-L283 HydrophobicContact CG2-CB 4.09Å; V278-R285 HydrophobicContact CG2-CB 4.16Å; V278-Y297 HydrophobicContact CG2-CD1 4.28Å; V278-Y297 HydrophobicContact CG2-CE1 3.99Å
279R94.2Very high94.5Very high172 Ų17260.5 Ų60.565%0.64929%0.288SS*.Hα-helixtrans-59.8-42.5177.9-177.4-177.266.1153.20.5112N275 D276 R281N275-R279 WeakPolarHBondContact O-CB 3.28Å; N275-R279 PolarHBondContact O-N 3.37Å; D276-R279 PolarHBondContact O-N 3.22Å; D276-R279 IonicContact OD1-CZ 2.76Å; D276-R279 IonicContact OD1-NE 3.99Å; D276-R279 PolarHBondContact OD1-NE 3.13Å; D276-R279 IonicContact OD1-NH2 3.01Å; D276-R279 PolarHBondContact OD1-NH2 3.11Å; R279-R281 PolarHBondContact O-N 2.91Å
280Q94Very high94.1Very high9 Ų967.4 Ų67.44%0.04232%0.322CS..THydrogen-bonded Turntrans-77.12.8176.8-64-17741.600113.4S219 D276 V278 L282S219-Q280 PolarHBondContact O-NE2 3.09Å; S219-Q280 VanDerWaalsContact O-NE2 3.07Å; S219-Q280 PolarHBondContact O-OE1 2.96Å; D276-Q280 WeakPolarHBondContact O-CB 3.43Å; D276-Q280 WeakPolarHBondContact O-CG 3.41Å; D276-Q280 PolarHBondContact O-N 3.43Å; D276-Q280 PolarHBondContact OD1-NE2 3.29Å; D276-Q280 PolarHBondContact OD2-NE2 3.14Å; V278-Q280 VanDerWaalsContact C-N 3.33Å; V278-Q280 PolarHBondContact O-N 3.47Å; Q280-L282 VanDerWaalsContact C-N 3.31Å; Q280-L282 HydrophobicContact CB-CD1 4.13Å; Q280-L282 HydrophobicContact CB-CG 4.11Å; Q280-L282 PolarHBondContact O-N 3.22Å
281R94.5Very high93.4Very high138 Ų13868.4 Ų68.452%0.52133%0.33SS..THydrogen-bonded Turntrans6133.4180-52.1-178.6174.5-162.9-0.8114.1M277 V278 R279 T300M277-R281 PolarHBondContact O-N 3.04Å; V278-R281 PolarHBondContact O-N 3.49Å; R279-R281 PolarHBondContact O-N 2.91Å; R281-T300 WeakPolarHBondContact O-CB 3.35Å; R281-T300 VanDerWaalsContact O-CG2 3.25Å; R281-T300 WeakPolarHBondContact O-CG2 3.43Å; R281-T300 PolarHBondContact O-OG1 2.9Å
282L96.6Very high92.9Very high0 Ų071.7 Ų71.70%034%0.343CS..SBendtrans-90.4-30.2173.7-58.2173.2000111.7L220 L228 M277 Q280 T300 L302 I306L220-L282 HydrophobicContact CD1-CD1 4.04Å; L220-L282 HydrophobicContact CD2-CD1 3.64Å; L220-L282 HydrophobicContact CG-CD1 4.09Å; L228-L282 HydrophobicContact CD1-CB 4.18Å; L228-L282 HydrophobicContact CD2-CD1 4.24Å; M277-L282 HydrophobicContact CB-CB 4.48Å; M277-L282 WeakPolarHBondContact O-CB 3.38Å; M277-L282 PolarHBondContact O-N 2.88Å; M277-L282 HydrophobicContact SD-CB 4.28Å; M277-L282 HydrophobicContact SD-CD1 3.52Å; M277-L282 VanDerWaalsContact SD-CD1 3.52Å; Q280-L282 VanDerWaalsContact C-N 3.31Å; Q280-L282 HydrophobicContact CB-CD1 4.13Å; Q280-L282 HydrophobicContact CB-CG 4.11Å; Q280-L282 PolarHBondContact O-N 3.22Å; L282-T300 PolarHBondContact O-N 3.49Å; L282-T300 PolarHBondContact O-OG1 3.03Å; L282-L302 HydrophobicContact CD2-CD2 3.91Å; L282-L302 HydrophobicContact CD2-CG 3.89Å; L282-I306 HydrophobicContact CD2-CD1 3.67Å
283L96.6Very high92.2Very high2 Ų269.3 Ų69.31%0.0134%0.34CS..EExtended strand (participates in β ladder)trans-124.1141.5173.1-69.6172000111V231 L248 M277 V278 Y297 R298 L299V231-L283 HydrophobicContact CG1-CD2 4.19Å; L248-L283 HydrophobicContact CD1-CD1 4.25Å; M277-L283 HydrophobicContact CB-CB 4.36Å; M277-L283 HydrophobicContact CB-CD1 3.74Å; M277-L283 HydrophobicContact CB-CG 4.1Å; M277-L283 HydrophobicContact CG-CD1 4.31Å; M277-L283 PolarHBondContact O-N 3.04Å; V278-L283 WeakPolarHBondContact CA-O 3.4Å; V278-L283 HydrophobicContact CG2-CB 4.09Å; L283-Y297 HydrophobicContact CB-CD1 4.49Å; L283-R298 CarbonylContact C-O 3.14Å; L283-R298 WeakPolarHBondContact CA-O 3.45Å; L283-L299 HydrophobicContact CD2-CD2 3.74Å; L283-L299 HydrophobicContact CD2-CG 4.11Å
284N95.6Very high91.8Very high78 Ų7874 Ų7442%0.41737%0.365SS..EExtended strand (participates in β ladder)trans-96.5132.2163.9-78.7-26.9000109.2F286 Y297 R298 T300N284-F286 HydrophobicContact CB-CE2 3.69Å; N284-F286 HydrophobicContact CB-CZ 3.9Å; N284-Y297 VanDerWaalsContact O-CA 3.27Å; N284-Y297 WeakPolarHBondContact O-CA 3.49Å; N284-R298 PolarHBondContact N-O 3.14Å; N284-R298 PolarHBondContact O-N 3.27Å; N284-T300 HydrophobicContact CB-CG2 4.41Å
285R95.5Very high91.6Very high96 Ų9674.3 Ų74.336%0.36237%0.368SS..EExtended strand (participates in β ladder)trans-100.8130.4174176.8-174.9-73.6159.9-1.7109.7N275 V278 A295 Y297N275-R285 PolarHBondContact OD1-NH1 3.36Å; N275-R285 PolarHBondContact OD1-NH2 3.12Å; V278-R285 HydrophobicContact CG2-CB 4.16Å; R285-A295 HydrophobicContact CG-CB 4.39Å; R285-Y297 HydrophobicContact CB-CD1 4Å; R285-Y297 HydrophobicContact CB-CE1 3.69Å; R285-Y297 HydrophobicContact CG-CD1 4.4Å; R285-Y297 HydrophobicContact CG-CE1 3.79Å; R285-Y297 VanDerWaalsContact CZ-OH 3.24Å; R285-Y297 PolarHBondContact NE-OH 3.12Å; R285-Y297 PolarHBondContact NH2-OH 3.16Å
286F94.2Very high91.4Very high98 Ų9872.6 Ų72.643%0.4336%0.359SS..EExtended strand (participates in β ladder)trans-123.8132.9170.1-52.2-89.2000109.8N284 A295 I296 R298N284-F286 HydrophobicContact CB-CE2 3.69Å; N284-F286 HydrophobicContact CB-CZ 3.9Å; F286-A295 CarbonylContact O-C 3.56Å; F286-A295 VanDerWaalsContact O-CA 3.32Å; F286-A295 WeakPolarHBondContact O-CA 3.39Å; F286-I296 HydrophobicContact CB-CD1 4.23Å; F286-I296 HydrophobicContact CB-CG1 3.76Å; F286-I296 HydrophobicContact CD2-CG1 4.35Å; F286-I296 PolarHBondContact N-O 3.07Å; F286-I296 PolarHBondContact O-N 3.32Å; F286-R298 HydrophobicContact CE2-CB 4.28Å; F286-R298 HydrophobicContact CE2-CG 4.2Å
287T91.9Very high91.5Very high126 Ų12671.6 Ų71.677%0.77335%0.353SS*.EExtended strand (participates in β ladder)trans-73.6129.9176.2-50.20000110N294T287-N294 WeakPolarHBondContact CG2-O 3.4Å
288S90.1Very high91.4Very high33 Ų3377.6 Ų77.623%0.23138%0.376CS..  trans-146.4107.7177.9178.60000110Q290 A291 N294S288-Q290 PolarHBondContact O-N 3.3Å; S288-Q290 VanDerWaalsContact O-N 3.12Å; S288-A291 PolarHBondContact O-N 2.85Å; S288-A291 VanDerWaalsContact O-N 3.12Å; S288-N294 PolarHBondContact N-O 2.75Å; S288-N294 CarbonylContact O-C 3.5Å; S288-N294 WeakPolarHBondContact O-CA 3.4Å
289E87Confident91.3Very high174 Ų17476.5 Ų76.581%0.81337%0.368SS*.THydrogen-bonded Turntrans-63.6-16.5-179.8-64.2-176.2170.500113.7
290Q86Confident91.4Very high196 Ų19668.7 Ų68.792%0.91634%0.34SS*.THydrogen-bonded Turntrans-86-17.3178.9-63.7178.11.800112.8S288S288-Q290 PolarHBondContact O-N 3.3Å; S288-Q290 VanDerWaalsContact O-N 3.12Å
291A81.9Confident91.3Very high20 Ų2073.8 Ų73.817%0.16537%0.373CS..SBendtrans-91.2150.2-178.500000111.5S288 G293 N294 I296S288-A291 PolarHBondContact O-N 2.85Å; S288-A291 VanDerWaalsContact O-N 3.12Å; A291-G293 PolarHBondContact O-N 2.9Å; A291-N294 WeakPolarHBondContact O-CA 3.38Å; A291-N294 PolarHBondContact O-N 3.14Å; A291-I296 HydrophobicContact CB-CG2 3.49Å; A291-I296 VanDerWaalsContact CB-CG2 3.49Å
292E81.9Confident91.3Very high136 Ų13670.6 Ų70.664%0.63637%0.367SS*.G310 helixtrans-60127.7173.1-172.9174179.400110.9S244 E245 N294S244-E292 WeakPolarHBondContact CB-O 3.49Å; E245-E292 PolarHBondContact N-O 3.13Å; E292-N294 VanDerWaalsContact C-N 3.32Å
293G81.5Confident91.2Very high41 Ų4170.6 Ų70.642%0.42337%0.367SS..G310 helixtrans80.36.1-172.400000115.1A291 A295A291-G293 PolarHBondContact O-N 2.9Å; G293-A295 PolarHBondContact O-N 3.01Å
294N87.7Confident91Very high98 Ų9873.9 Ų73.952%0.52438%0.383SS..G310 helixtrans61.518.7179.6-54.8-42.9000114.7T287 S288 A291 E292T287-N294 WeakPolarHBondContact CG2-O 3.4Å; S288-N294 PolarHBondContact N-O 2.75Å; S288-N294 CarbonylContact O-C 3.5Å; S288-N294 WeakPolarHBondContact O-CA 3.4Å; A291-N294 WeakPolarHBondContact O-CA 3.38Å; A291-N294 PolarHBondContact O-N 3.14Å; E292-N294 VanDerWaalsContact C-N 3.32Å
295A91Very high90.7Very high7 Ų772.5 Ų72.56%0.05839%0.387CS..EExtended strand (participates in β ladder)trans-146.3147.4179.700000111.5E245 R285 F286 G293 Y297E245-A295 PolarHBondContact N-O 3.42Å; R285-A295 HydrophobicContact CG-CB 4.39Å; F286-A295 CarbonylContact O-C 3.56Å; F286-A295 VanDerWaalsContact O-CA 3.32Å; F286-A295 WeakPolarHBondContact O-CA 3.39Å; G293-A295 PolarHBondContact O-N 3.01Å; A295-Y297 HydrophobicContact CB-CE2 3.94Å
296I93.2Very high90.6Very high36 Ų3669.5 Ų69.519%0.18538%0.378CS..EExtended strand (participates in β ladder)trans-119.5150169.660.4176.5000109.8E242 M243 F286 A291E242-I296 HydrophobicContact CB-CB 3.92Å; E242-I296 HydrophobicContact CB-CD1 3.98Å; E242-I296 HydrophobicContact CB-CG1 4.42Å; E242-I296 HydrophobicContact CB-CG2 4.21Å; E242-I296 HydrophobicContact CG-CD1 4.09Å; M243-I296 CarbonylContact O-C 3.56Å; M243-I296 VanDerWaalsContact O-CA 3.24Å; M243-I296 WeakPolarHBondContact O-CA 3.3Å; F286-I296 HydrophobicContact CB-CD1 4.23Å; F286-I296 HydrophobicContact CB-CG1 3.76Å; F286-I296 HydrophobicContact CD2-CG1 4.35Å; F286-I296 PolarHBondContact N-O 3.07Å; F286-I296 PolarHBondContact O-N 3.32Å; A291-I296 HydrophobicContact CB-CG2 3.49Å; A291-I296 VanDerWaalsContact CB-CG2 3.49Å
297Y95Very high90.6Very high3 Ų365 Ų651%0.01236%0.358CS..EExtended strand (participates in β ladder)trans-128.1140.2-175.2-65.9-95.1000111.5M243 E245 L248 I274 V278 L283 N284 R285 A295M243-Y297 PolarHBondContact O-N 3.13Å; E245-Y297 HydrophobicContact CB-CE2 3.8Å; E245-Y297 HydrophobicContact CG-CE2 3.99Å; E245-Y297 PolarHBondContact OE1-OH 3.13Å; L248-Y297 HydrophobicContact CD1-CD1 3.82Å; L248-Y297 HydrophobicContact CD1-CD2 3.34Å; L248-Y297 HydrophobicContact CD1-CE1 4.22Å; L248-Y297 HydrophobicContact CD1-CE2 3.8Å; L248-Y297 HydrophobicContact CD1-CG 3.34Å; L248-Y297 HydrophobicContact CG-CD2 4.3Å; L248-Y297 HydrophobicContact CG-CG 4.5Å; I274-Y297 HydrophobicContact CG2-CD1 4.1Å; I274-Y297 HydrophobicContact CG2-CE1 3.32Å; I274-Y297 HydrophobicContact CG2-CE2 4.35Å; I274-Y297 VanDerWaalsContact CG2-CZ 3.46Å; I274-Y297 WeakPolarHBondContact CG2-OH 3.46Å; V278-Y297 HydrophobicContact CG2-CD1 4.28Å; V278-Y297 HydrophobicContact CG2-CE1 3.99Å; L283-Y297 HydrophobicContact CB-CD1 4.49Å; N284-Y297 VanDerWaalsContact O-CA 3.27Å; N284-Y297 WeakPolarHBondContact O-CA 3.49Å; R285-Y297 HydrophobicContact CB-CD1 4Å; R285-Y297 HydrophobicContact CB-CE1 3.69Å; R285-Y297 HydrophobicContact CG-CD1 4.4Å; R285-Y297 HydrophobicContact CG-CE1 3.79Å; R285-Y297 VanDerWaalsContact CZ-OH 3.24Å; R285-Y297 PolarHBondContact NE-OH 3.12Å; R285-Y297 PolarHBondContact NH2-OH 3.16Å; A295-Y297 HydrophobicContact CB-CE2 3.94Å
298R93.9Very high90.5Very high125 Ų12561.8 Ų61.847%0.47234%0.337SS..EExtended strand (participates in β ladder)trans-128.3138176.8-70.6179.165.4148.7-6.1110.5E242 L283 N284 F286 T300E242-R298 WeakPolarHBondContact OE1-CD 3.47Å; E242-R298 IonicContact OE1-CZ 3.23Å; E242-R298 IonicContact OE1-NE 3.86Å; E242-R298 IonicContact OE1-NH1 3.02Å; E242-R298 PolarHBondContact OE1-NH1 3.36Å; E242-R298 WeakPolarHBondContact OE2-CD 3.38Å; E242-R298 WeakPolarHBondContact OE2-CG 3.49Å; E242-R298 IonicContact OE2-NE 3.03Å; L283-R298 CarbonylContact C-O 3.14Å; L283-R298 WeakPolarHBondContact CA-O 3.45Å; N284-R298 PolarHBondContact N-O 3.14Å; N284-R298 PolarHBondContact O-N 3.27Å; F286-R298 HydrophobicContact CE2-CB 4.28Å; F286-R298 HydrophobicContact CE2-CG 4.2Å; R298-T300 PolarHBondContact O-N 3.13Å
299L95Very high90.3Very high18 Ų1864.8 Ų64.89%0.09434%0.344CS..EExtended strand (participates in β ladder)trans-60.8132.2167.1-72.5165.7000109.5L228 V231 A232 N235 L283 I304L228-L299 HydrophobicContact CD1-CD2 3.79Å; V231-L299 HydrophobicContact CG1-CD2 4.31Å; V231-L299 HydrophobicContact CG1-CG 4.43Å; A232-L299 HydrophobicContact CB-CD1 3.79Å; N235-L299 HydrophobicContact CB-CD1 4.25Å; L283-L299 HydrophobicContact CD2-CD2 3.74Å; L283-L299 HydrophobicContact CD2-CG 4.11Å; L299-I304 HydrophobicContact CB-CD1 4.46Å; L299-I304 HydrophobicContact CB-CG1 3.71Å
300T95.9Very high90.4Very high9 Ų962.6 Ų62.66%0.05533%0.329CS..  trans-76.3166.8172.466.40000109.9R281 L282 N284 R298 L302 G303 I304R281-T300 WeakPolarHBondContact O-CB 3.35Å; R281-T300 VanDerWaalsContact O-CG2 3.25Å; R281-T300 WeakPolarHBondContact O-CG2 3.43Å; R281-T300 PolarHBondContact O-OG1 2.9Å; L282-T300 PolarHBondContact O-N 3.49Å; L282-T300 PolarHBondContact O-OG1 3.03Å; N284-T300 HydrophobicContact CB-CG2 4.41Å; R298-T300 PolarHBondContact O-N 3.13Å; T300-L302 PolarHBondContact O-N 2.92Å; T300-L302 VanDerWaalsContact O-N 3.17Å; T300-L302 PolarHBondContact OG1-N 3.25Å; T300-G303 WeakPolarHBondContact O-CA 3.41Å; T300-G303 PolarHBondContact O-N 3.07Å; T300-G303 PolarHBondContact OG1-N 3.01Å; T300-I304 WeakPolarHBondContact O-CG1 3.35Å; T300-I304 PolarHBondContact O-N 3.05Å
301P93.1Very high90.5Very high115 Ų11556.6 Ų56.675%0.74730%0.302SS*.Hα-helixtrans-53.5-34.4171.6-27.836.1000113.4G305P301-G305 PolarHBondContact O-N 3.25Å
302L93.4Very high90.4Very high72 Ų7263.1 Ų63.138%0.37732%0.323SS..Hα-helixtrans-67.9-46.2173.8178.963.4000111.6I218 L282 T300 G305 I306I218-L302 HydrophobicContact CD1-CD1 4.13Å; I218-L302 HydrophobicContact CD1-CD2 4.06Å; I218-L302 HydrophobicContact CG1-CD2 4.47Å; L282-L302 HydrophobicContact CD2-CD2 3.91Å; L282-L302 HydrophobicContact CD2-CG 3.89Å; T300-L302 PolarHBondContact O-N 2.92Å; T300-L302 VanDerWaalsContact O-N 3.17Å; T300-L302 PolarHBondContact OG1-N 3.25Å; L302-G305 PolarHBondContact O-N 3.38Å; L302-I306 HydrophobicContact CD1-CD1 4.01Å; L302-I306 HydrophobicContact CD1-CG1 4.41Å; L302-I306 HydrophobicContact CG-CD1 4.08Å; L302-I306 WeakPolarHBondContact O-CG1 3.3Å; L302-I306 PolarHBondContact O-N 2.98Å
303G94.7Very high90Very high0 Ų064.1 Ų64.10%033%0.327CS..Hα-helixtrans-57.7-48.1175.500000111.8T300 I306 T307T300-G303 WeakPolarHBondContact O-CA 3.41Å; T300-G303 PolarHBondContact O-N 3.07Å; T300-G303 PolarHBondContact OG1-N 3.01Å; G303-I306 PolarHBondContact O-N 3.49Å; G303-T307 VanDerWaalsContact O-CG2 3.32Å; G303-T307 WeakPolarHBondContact O-CG2 3.46Å; G303-T307 PolarHBondContact O-N 3.33Å; G303-T307 PolarHBondContact O-OG1 3.49Å
304I92.9Very high89.5Confident71 Ų7167.5 Ų67.536%0.36433%0.327SS..Hα-helixtrans-59.8-49176.4-64.8175.4000110.7L299 T300 I306 T307 D308L299-I304 HydrophobicContact CB-CD1 4.46Å; L299-I304 HydrophobicContact CB-CG1 3.71Å; T300-I304 WeakPolarHBondContact O-CG1 3.35Å; T300-I304 PolarHBondContact O-N 3.05Å; I304-I306 VanDerWaalsContact C-N 3.3Å; I304-I306 PolarHBondContact O-N 2.83Å; I304-T307 WeakPolarHBondContact CA-OG1 3.32Å; I304-T307 PolarHBondContact O-N 3.44Å; I304-T307 PolarHBondContact O-OG1 3.38Å; I304-T307 VanDerWaalsContact O-OG1 3.1Å; I304-D308 VanDerWaalsContact O-CB 3.27Å; I304-D308 WeakPolarHBondContact O-CB 3.19Å; I304-D308 PolarHBondContact O-N 3.25Å
305G89.9Confident88.6Confident48 Ų4869.2 Ų69.250%0.49533%0.332SS..Hα-helixtrans-58.7-41-179.400000113.1P301 L302 Y309P301-G305 PolarHBondContact O-N 3.25Å; L302-G305 PolarHBondContact O-N 3.38Å; G305-Y309 PolarHBondContact O-N 3.49Å
306I93.4Very high87.6Confident34 Ų3471.4 Ų71.417%0.17434%0.34CS..Hα-helixtrans-68.1-44.2176-67.1168.5000110.9I218 L220 L225 L228 L282 L302 G303 I304 Y309 Y310I218-I306 HydrophobicContact CD1-CD1 4.28Å; L220-I306 HydrophobicContact CD1-CD1 4.08Å; L220-I306 HydrophobicContact CD1-CG2 4.06Å; L225-I306 HydrophobicContact CD1-CG2 4.19Å; L228-I306 HydrophobicContact CD2-CG2 4.13Å; L282-I306 HydrophobicContact CD2-CD1 3.67Å; L302-I306 HydrophobicContact CD1-CD1 4.01Å; L302-I306 HydrophobicContact CD1-CG1 4.41Å; L302-I306 HydrophobicContact CG-CD1 4.08Å; L302-I306 WeakPolarHBondContact O-CG1 3.3Å; L302-I306 PolarHBondContact O-N 2.98Å; G303-I306 PolarHBondContact O-N 3.49Å; I304-I306 VanDerWaalsContact C-N 3.3Å; I304-I306 PolarHBondContact O-N 2.83Å; I306-Y309 WeakPolarHBondContact O-CB 3.45Å; I306-Y310 HydrophobicContact CG2-CE2 4.4Å; I306-Y310 VanDerWaalsContact O-CD2 3.23Å; I306-Y310 WeakPolarHBondContact O-CD2 3.41Å
307T94.2Very high87.1Confident2 Ų271.9 Ų71.91%0.01235%0.347CS..Hα-helixtrans-74.2-38.1-176550000112.7L228 A232 G303 I304 Y309 Y310 I311L228-T307 HydrophobicContact CD2-CG2 3.95Å; L228-T307 HydrophobicContact CG-CG2 3.67Å; A232-T307 VanDerWaalsContact CB-CB 3.47Å; A232-T307 HydrophobicContact CB-CG2 3.57Å; G303-T307 VanDerWaalsContact O-CG2 3.32Å; G303-T307 WeakPolarHBondContact O-CG2 3.46Å; G303-T307 PolarHBondContact O-N 3.33Å; G303-T307 PolarHBondContact O-OG1 3.49Å; I304-T307 WeakPolarHBondContact CA-OG1 3.32Å; I304-T307 PolarHBondContact O-N 3.44Å; I304-T307 PolarHBondContact O-OG1 3.38Å; I304-T307 VanDerWaalsContact O-OG1 3.1Å; T307-Y309 PolarHBondContact O-N 2.88Å; T307-Y310 PolarHBondContact O-N 3.21Å; T307-Y310 VanDerWaalsContact O-N 3.1Å; T307-I311 PolarHBondContact O-N 3.32Å
308D89Confident86.6Confident60 Ų6074 Ų7432%0.32136%0.36SS..Hα-helixtrans-60.8-34.5177-91.725.4000111.1I304 Y310 R312I304-D308 VanDerWaalsContact O-CB 3.27Å; I304-D308 WeakPolarHBondContact O-CB 3.19Å; I304-D308 PolarHBondContact O-N 3.25Å; D308-Y310 PolarHBondContact O-N 3.09Å; D308-R312 HydrophobicContact CB-CB 4.41Å; D308-R312 WeakPolarHBondContact O-CB 3.48Å; D308-R312 PolarHBondContact O-N 3.48Å; D308-R312 VanDerWaalsContact O-N 3.15Å; D308-R312 IonicContact OD2-NH1 2.76Å; D308-R312 PolarHBondContact OD2-NH1 3.29Å; D308-R312 VanDerWaalsContact OD2-NH1 3.15Å
309Y86.4Confident86.4Confident95 Ų9573.4 Ų73.437%0.37337%0.366SS..Hα-helixtrans-56.1-36.9175.6176.5-98.1000112.8G305 I306 T307 R314 E376G305-Y309 PolarHBondContact O-N 3.49Å; I306-Y309 WeakPolarHBondContact O-CB 3.45Å; T307-Y309 PolarHBondContact O-N 2.88Å; Y309-R314 PolarHBondContact O-NE 3.19Å; Y309-R314 PolarHBondContact O-NH2 3.04Å; Y309-E376 WeakPolarHBondContact CE2-OE1 3.23Å; Y309-E376 VanDerWaalsContact CZ-OE1 3.31Å; Y309-E376 VanDerWaalsContact OH-CD 3.27Å; Y309-E376 PolarHBondContact OH-OE1 2.75Å; Y309-E376 PolarHBondContact OH-OE2 3.15Å
310Y89.4Confident86.1Confident128 Ų12876.7 Ų76.750%0.50238%0.377SS..Hα-helixtrans-98.7-37.8-176.3-67.3-76.1000114.1L225 L229 I306 T307 D308L225-Y310 HydrophobicContact CD1-CD2 4.27Å; L225-Y310 HydrophobicContact CD1-CE2 3.97Å; L225-Y310 HydrophobicContact CD2-CE1 4.49Å; L225-Y310 HydrophobicContact CD2-CE2 4Å; L229-Y310 VanDerWaalsContact CD2-CB 3.48Å; L229-Y310 HydrophobicContact CD2-CD2 4.17Å; L229-Y310 HydrophobicContact CD2-CG 4.1Å; I306-Y310 HydrophobicContact CG2-CE2 4.4Å; I306-Y310 VanDerWaalsContact O-CD2 3.23Å; I306-Y310 WeakPolarHBondContact O-CD2 3.41Å; T307-Y310 PolarHBondContact O-N 3.21Å; T307-Y310 VanDerWaalsContact O-N 3.1Å; D308-Y310 PolarHBondContact O-N 3.09Å
311I86.9Confident85.9Confident70 Ų7076.7 Ų76.736%0.35938%0.377SS..Hα-helixtrans-90.7-37.1-171.3-62.1174.9000111.6L229 A232 T307 Q313L229-I311 HydrophobicContact CB-CD1 4.26Å; L229-I311 HydrophobicContact CD2-CD1 3.75Å; L229-I311 HydrophobicContact CD2-CG1 3.51Å; L229-I311 WeakPolarHBondContact O-CD1 3.32Å; A232-I311 HydrophobicContact CB-CD1 3.53Å; T307-I311 PolarHBondContact O-N 3.32Å; I311-Q313 PolarHBondContact O-N 3.34Å
312R79.3Confident85.9Confident157 Ų15774.1 Ų74.159%0.59236%0.362SS*.SBendtrans-71.7128.5-170.1-164.3168.8-177.2172.9-1.3109.8D308 R314D308-R312 HydrophobicContact CB-CB 4.41Å; D308-R312 WeakPolarHBondContact O-CB 3.48Å; D308-R312 PolarHBondContact O-N 3.48Å; D308-R312 VanDerWaalsContact O-N 3.15Å; D308-R312 IonicContact OD2-NH1 2.76Å; D308-R312 PolarHBondContact OD2-NH1 3.29Å; D308-R312 VanDerWaalsContact OD2-NH1 3.15Å; R312-R314 PolarHBondContact O-N 3.43Å; R312-R314 VanDerWaalsContact O-N 3.15Å
313Q73.3Confident85.9Confident157 Ų15775.6 Ų75.673%0.73437%0.368SS*.  trans-58.8121.1175.4-72.1-177.7-19.800109.8I311 E315I311-Q313 PolarHBondContact O-N 3.34Å; Q313-E315 VanDerWaalsContact C-N 3.31Å; Q313-E315 HydrophobicContact CB-CG 4.44Å; Q313-E315 PolarHBondContact O-N 3.48Å; Q313-E315 VanDerWaalsContact O-N 3.1Å
314R71.9Confident85.8Confident113 Ų11376.8 Ų76.843%0.42637%0.373SS..  trans-86.376-177.7-61.6169177.3-162.5-7.3108.4Y309 R312 L373 E376Y309-R314 PolarHBondContact O-NE 3.19Å; Y309-R314 PolarHBondContact O-NH2 3.04Å; R312-R314 PolarHBondContact O-N 3.43Å; R312-R314 VanDerWaalsContact O-N 3.15Å; R314-L373 HydrophobicContact CG-CD1 4.46Å; R314-L373 HydrophobicContact CG-CD2 3.96Å; R314-E376 IonicContact CZ-OE2 3.28Å; R314-E376 IonicContact NH1-OE2 3.39Å; R314-E376 PolarHBondContact NH1-OE2 3.31Å; R314-E376 IonicContact NH2-OE2 3.68Å; R314-E376 PolarHBondContact NH2-OE2 3.47Å
315E68.6Low85.9Confident133 Ų13373.9 Ų73.962%0.62136%0.358SS*.  trans-87.7117.4177.8-68.4-174.7169.400110.6Q313Q313-E315 VanDerWaalsContact C-N 3.31Å; Q313-E315 HydrophobicContact CB-CG 4.44Å; Q313-E315 PolarHBondContact O-N 3.48Å; Q313-E315 VanDerWaalsContact O-N 3.1Å
316F71.4Confident86.1Confident53 Ų5375.6 Ų75.623%0.23236%0.363CS..  trans-84.7129.3167.6-128.4-73.3000110T370 M374 L414F316-T370 HydrophobicContact CD1-CG2 4.4Å; F316-T370 HydrophobicContact CD2-CG2 4.4Å; F316-T370 HydrophobicContact CE1-CG2 3.65Å; F316-T370 HydrophobicContact CE2-CG2 3.72Å; F316-T370 WeakPolarHBondContact CE2-O 3.17Å; F316-T370 HydrophobicContact CZ-CG2 3.33Å; F316-T370 WeakPolarHBondContact CZ-O 3.35Å; F316-M374 HydrophobicContact CD2-CB 4.42Å; F316-M374 HydrophobicContact CD2-SD 4.14Å; F316-M374 HydrophobicContact CE2-CB 3.49Å; F316-M374 VanDerWaalsContact CE2-CB 3.49Å; F316-M374 HydrophobicContact CE2-CG 4.19Å; F316-M374 HydrophobicContact CE2-SD 4.01Å; F316-M374 HydrophobicContact CZ-CB 3.8Å; F316-M374 HydrophobicContact CZ-CG 4.34Å; F316-M374 HydrophobicContact CZ-SD 4.39Å; F316-L414 HydrophobicContact CD1-CD1 3.78Å; F316-L414 HydrophobicContact CD1-CD2 3.91Å; F316-L414 HydrophobicContact CD1-CG 4.37Å; F316-L414 HydrophobicContact CE1-CD1 3.09Å; F316-L414 HydrophobicContact CE1-CD2 3.36Å; F316-L414 HydrophobicContact CE1-CG 3.79Å; F316-L414 HydrophobicContact CZ-CD1 3.52Å; F316-L414 HydrophobicContact CZ-CD2 4.41Å
317S81.8Confident86.2Confident47 Ų4778.3 Ų78.333%0.32938%0.377SS..  trans-146.9118.6174.9-178.20000109.7L319 R320 L321S317-L319 PolarHBondContact O-N 2.72Å; S317-L319 WeakPolarHBondContact OG-CB 3.32Å; S317-L319 PolarHBondContact OG-N 3.32Å; S317-R320 WeakPolarHBondContact O-CB 3.36Å; S317-R320 PolarHBondContact O-N 2.97Å; S317-R320 PolarHBondContact OG-N 3.26Å; S317-L321 PolarHBondContact O-N 3.03Å; S317-L321 VanDerWaalsContact O-N 3.12Å
318T84.9Confident86.3Confident47 Ų4778.2 Ų78.229%0.28838%0.376SS..Hα-helixtrans-57.4-33.5169.9480000110.9L321 S322 E413 L414T318-L321 PolarHBondContact O-N 2.99Å; T318-S322 WeakPolarHBondContact O-CB 3.42Å; T318-S322 PolarHBondContact O-N 3.11Å; T318-E413 HydrophobicContact CG2-CB 3.81Å; T318-L414 HydrophobicContact CG2-CD2 3.81Å; T318-L414 HydrophobicContact CG2-CG 4.34Å
319L89.2Confident86.7Confident113 Ų11377.1 Ų77.159%0.59238%0.376SS*.Hα-helixtrans-62.8-42.3172.5-173.567.4000112.1S317 S322 M323S317-L319 PolarHBondContact O-N 2.72Å; S317-L319 WeakPolarHBondContact OG-CB 3.32Å; S317-L319 PolarHBondContact OG-N 3.32Å; L319-S322 PolarHBondContact O-N 3.06Å; L319-M323 HydrophobicContact CG-CE 4.26Å; L319-M323 WeakPolarHBondContact O-CG 3.18Å; L319-M323 PolarHBondContact O-N 2.89Å
320R89.5Confident87.1Confident87 Ų8774.1 Ų74.133%0.32837%0.373SS..Hα-helixtrans-61.5-46.9176179.8-178.8170.8-167.3-4111.3S317 S322 M323 Q324S317-R320 WeakPolarHBondContact O-CB 3.36Å; S317-R320 PolarHBondContact O-N 2.97Å; S317-R320 PolarHBondContact OG-N 3.26Å; R320-S322 PolarHBondContact O-N 3.4Å; R320-M323 HydrophobicContact CB-CE 4.49Å; R320-M323 PolarHBondContact O-N 3.13Å; R320-Q324 WeakPolarHBondContact O-CG 3.44Å; R320-Q324 PolarHBondContact O-N 2.8Å
321L91.4Very high87.4Confident9 Ų970.1 Ų70.15%0.04736%0.359CS..Hα-helixtrans-60.5-45176.8178.661.5000111.4S317 T318 M323 Q324 L325 I367 L414 T417 L418S317-L321 PolarHBondContact O-N 3.03Å; S317-L321 VanDerWaalsContact O-N 3.12Å; T318-L321 PolarHBondContact O-N 2.99Å; L321-M323 PolarHBondContact O-N 3.45Å; L321-Q324 PolarHBondContact O-N 3.12Å; L321-L325 HydrophobicContact CD1-CD1 3.99Å; L321-L325 HydrophobicContact CD1-CG 4.19Å; L321-L325 HydrophobicContact CG-CD1 3.9Å; L321-L325 WeakPolarHBondContact O-CG 3.18Å; L321-L325 PolarHBondContact O-N 3.11Å; L321-I367 HydrophobicContact CD1-CB 4.46Å; L321-I367 HydrophobicContact CD1-CD1 4.02Å; L321-I367 HydrophobicContact CD1-CG1 3.82Å; L321-I367 HydrophobicContact CD1-CG2 3.88Å; L321-L414 HydrophobicContact CD2-CB 4.37Å; L321-L414 HydrophobicContact CD2-CD2 3.61Å; L321-T417 HydrophobicContact CD2-CG2 4.19Å; L321-T417 HydrophobicContact CG-CG2 4.18Å; L321-L418 HydrophobicContact CD1-CD2 4.2Å; L321-L418 HydrophobicContact CD2-CD2 4.49Å; L321-L418 HydrophobicContact CD2-CG 4.18Å
322S92.5Very high87.9Confident61 Ų6166.8 Ų66.843%0.42734%0.342SS..Hα-helixtrans-60.3-43.5177-172.50000112.4T318 L319 R320 L325 S326T318-S322 WeakPolarHBondContact O-CB 3.42Å; T318-S322 PolarHBondContact O-N 3.11Å; L319-S322 PolarHBondContact O-N 3.06Å; R320-S322 PolarHBondContact O-N 3.4Å; S322-L325 PolarHBondContact O-N 2.97Å; S322-S326 WeakPolarHBondContact O-CB 3.29Å; S322-S326 PolarHBondContact O-N 3.36Å
323M92.9Very high88.8Confident103 Ų10364.9 Ų64.951%0.50734%0.338SS..Hα-helixtrans-62.3-44.3174.5-72.7-174.3-63.600111.9L319 R320 L321 S326 I327L319-M323 HydrophobicContact CG-CE 4.26Å; L319-M323 WeakPolarHBondContact O-CG 3.18Å; L319-M323 PolarHBondContact O-N 2.89Å; R320-M323 HydrophobicContact CB-CE 4.49Å; R320-M323 PolarHBondContact O-N 3.13Å; L321-M323 PolarHBondContact O-N 3.45Å; M323-S326 PolarHBondContact O-N 2.85Å; M323-I327 WeakPolarHBondContact O-CG1 3.38Å; M323-I327 PolarHBondContact O-N 3.32Å
324Q93.6Very high89.9Confident25 Ų2564.4 Ų64.412%0.11733%0.33CS..Hα-helixtrans-61-48.2177.9-76.6-179.4-47.700111.8R320 L321 S326 I327 V328 I363 S366 I367R320-Q324 WeakPolarHBondContact O-CG 3.44Å; R320-Q324 PolarHBondContact O-N 2.8Å; L321-Q324 PolarHBondContact O-N 3.12Å; Q324-S326 VanDerWaalsContact C-N 3.3Å; Q324-S326 PolarHBondContact O-N 3.15Å; Q324-I327 PolarHBondContact O-N 3.37Å; Q324-V328 WeakPolarHBondContact O-CG2 3.35Å; Q324-V328 PolarHBondContact O-N 3.1Å; Q324-I363 HydrophobicContact CB-CG2 3.74Å; Q324-I363 HydrophobicContact CG-CG2 4.16Å; Q324-S366 PolarHBondContact NE2-OG 2.97Å; Q324-I367 HydrophobicContact CB-CD1 4.39Å; Q324-I367 HydrophobicContact CB-CG1 4.46Å
325L94.5Very high91.1Very high9 Ų959.1 Ų59.15%0.04731%0.31CS..Hα-helixtrans-63.6-35.8177.1-70.8166.8000112.1L321 S322 V328 A329 I367 T417 L418 A421 L425L321-L325 HydrophobicContact CD1-CD1 3.99Å; L321-L325 HydrophobicContact CD1-CG 4.19Å; L321-L325 HydrophobicContact CG-CD1 3.9Å; L321-L325 WeakPolarHBondContact O-CG 3.18Å; L321-L325 PolarHBondContact O-N 3.11Å; S322-L325 PolarHBondContact O-N 2.97Å; L325-V328 PolarHBondContact O-N 3.22Å; L325-A329 VanDerWaalsContact O-CB 3.32Å; L325-A329 WeakPolarHBondContact O-CB 3.38Å; L325-A329 PolarHBondContact O-N 3.22Å; L325-I367 HydrophobicContact CD2-CD1 3.87Å; L325-I367 HydrophobicContact CG-CD1 4.23Å; L325-T417 HydrophobicContact CD1-CG2 3.77Å; L325-L418 HydrophobicContact CD1-CD2 4.36Å; L325-L418 HydrophobicContact CD2-CD2 4.45Å; L325-A421 HydrophobicContact CB-CB 4.19Å; L325-A421 HydrophobicContact CD1-CB 4.02Å; L325-A421 HydrophobicContact CD2-CB 4.06Å; L325-A421 HydrophobicContact CG-CB 4.32Å; L325-L425 HydrophobicContact CD2-CD1 3.88Å
326S94.8Very high92.4Very high84 Ų8452.8 Ų52.859%0.58728%0.28SS*.Hα-helixtrans-64.5-43.4174.9-177.90000112.4S322 M323 Q324 A329 G330S322-S326 WeakPolarHBondContact O-CB 3.29Å; S322-S326 PolarHBondContact O-N 3.36Å; M323-S326 PolarHBondContact O-N 2.85Å; Q324-S326 VanDerWaalsContact C-N 3.3Å; Q324-S326 PolarHBondContact O-N 3.15Å; S326-A329 PolarHBondContact O-N 2.99Å; S326-G330 PolarHBondContact O-N 2.98Å; S326-G330 VanDerWaalsContact O-N 3.14Å
327I95.4Very high93.7Very high92 Ų9252.9 Ų52.947%0.47228%0.283SS..Hα-helixtrans-62.9-47.5176-66.3164.9000110.1M323 Q324 A329 G330 E331 I363M323-I327 WeakPolarHBondContact O-CG1 3.38Å; M323-I327 PolarHBondContact O-N 3.32Å; Q324-I327 PolarHBondContact O-N 3.37Å; I327-A329 PolarHBondContact O-N 3.21Å; I327-G330 PolarHBondContact O-N 3.1Å; I327-G330 VanDerWaalsContact O-N 3.16Å; I327-E331 HydrophobicContact CG2-CG 4.5Å; I327-E331 PolarHBondContact O-N 2.91Å; I327-I363 HydrophobicContact CB-CD1 4.29Å; I327-I363 HydrophobicContact CG2-CD1 3.7Å
328V96.3Very high94.4Very high0 Ų051.2 Ų51.20%027%0.272CS..Hα-helixtrans-59.7-45.7178.1173.60000111.2Q324 L325 G330 E331 L332 V360 I363 F364 L425Q324-V328 WeakPolarHBondContact O-CG2 3.35Å; Q324-V328 PolarHBondContact O-N 3.1Å; L325-V328 PolarHBondContact O-N 3.22Å; V328-G330 PolarHBondContact O-N 3.36Å; V328-E331 PolarHBondContact O-N 3.45Å; V328-L332 WeakPolarHBondContact O-CB 3.46Å; V328-L332 PolarHBondContact O-N 3.37Å; V328-V360 HydrophobicContact CG1-CG1 3.89Å; V328-V360 HydrophobicContact CG1-CG2 4.32Å; V328-I363 HydrophobicContact CG2-CB 3.48Å; V328-I363 VanDerWaalsContact CG2-CB 3.48Å; V328-I363 HydrophobicContact CG2-CD1 3.55Å; V328-I363 HydrophobicContact CG2-CG1 4.11Å; V328-I363 HydrophobicContact CG2-CG2 3.31Å; V328-F364 HydrophobicContact CG1-CE1 3.76Å; V328-F364 HydrophobicContact CG1-CZ 4.26Å; V328-F364 HydrophobicContact CG2-CE1 4.46Å; V328-L425 HydrophobicContact CG1-CD1 4.14Å; V328-L425 HydrophobicContact CG1-CD2 3.9Å
329A95.9Very high94.9Very high37 Ų3749.1 Ų49.131%0.30626%0.259SS..Hα-helixtrans-58.4-38.3178.100000112L325 S326 I327 K333 L425L325-A329 VanDerWaalsContact O-CB 3.32Å; L325-A329 WeakPolarHBondContact O-CB 3.38Å; L325-A329 PolarHBondContact O-N 3.22Å; S326-A329 PolarHBondContact O-N 2.99Å; I327-A329 PolarHBondContact O-N 3.21Å; A329-K333 WeakPolarHBondContact O-CB 3.38Å; A329-K333 PolarHBondContact O-N 3.12Å; A329-L425 HydrophobicContact CB-CD2 3.88Å
330G95.9Very high95.2Very high31 Ų3148.9 Ų48.932%0.3226%0.256SS..Hα-helixtrans-71.5-40.9177.300000114.4S326 I327 V328 R334S326-G330 PolarHBondContact O-N 2.98Å; S326-G330 VanDerWaalsContact O-N 3.14Å; I327-G330 PolarHBondContact O-N 3.1Å; I327-G330 VanDerWaalsContact O-N 3.16Å; V328-G330 PolarHBondContact O-N 3.36Å; G330-R334 WeakPolarHBondContact O-CG 3.39Å; G330-R334 PolarHBondContact O-N 3.31Å; G330-R334 PolarHBondContact O-NE 3.31Å
331E96.3Very high95.4Very high44 Ų4452.3 Ų52.321%0.20628%0.275CS..Hα-helixtrans-67.5-46.3174.2-70.4-63.3156.700111.5I327 V328 K333 R334 A335 V360I327-E331 HydrophobicContact CG2-CG 4.5Å; I327-E331 PolarHBondContact O-N 2.91Å; V328-E331 PolarHBondContact O-N 3.45Å; E331-K333 PolarHBondContact O-N 2.77Å; E331-R334 PolarHBondContact O-N 2.81Å; E331-R334 IonicContact OE1-CZ 3.87Å; E331-R334 IonicContact OE1-NH1 3.41Å; E331-R334 IonicContact OE1-NH2 2.77Å; E331-R334 PolarHBondContact OE1-NH2 3.27Å; E331-R334 IonicContact OE2-CZ 3.85Å; E331-R334 IonicContact OE2-NH2 3.69Å; E331-R334 PolarHBondContact OE2-NH2 2.69Å; E331-A335 PolarHBondContact O-N 2.83Å; E331-V360 HydrophobicContact CB-CG2 4.15Å
332L96.9Very high95.3Very high0 Ų052.9 Ų52.90%028%0.284CS..Hα-helixtrans-67.6-38.5-176.8-171.764.9000112.2V328 A335 A336 L356 V360 L425 N428 L429 I432V328-L332 WeakPolarHBondContact O-CB 3.46Å; V328-L332 PolarHBondContact O-N 3.37Å; L332-A335 PolarHBondContact O-N 3.37Å; L332-A336 WeakPolarHBondContact O-CB 3.5Å; L332-A336 PolarHBondContact O-N 2.82Å; L332-L356 HydrophobicContact CD1-CD2 3.41Å; L332-L356 VanDerWaalsContact CD1-CD2 3.41Å; L332-V360 HydrophobicContact CB-CG2 4.4Å; L332-L425 HydrophobicContact CD2-CB 4Å; L332-L425 HydrophobicContact CD2-CD2 3.85Å; L332-L425 VanDerWaalsContact CD2-O 3.28Å; L332-L425 WeakPolarHBondContact CD2-O 3.45Å; L332-N428 HydrophobicContact CD2-CB 3.86Å; L332-N428 HydrophobicContact CG-CB 3.68Å; L332-L429 HydrophobicContact CD1-CD2 3.7Å; L332-L429 HydrophobicContact CD1-CG 4.03Å; L332-L429 HydrophobicContact CD2-CG 4.07Å; L332-I432 HydrophobicContact CD1-CD1 3.87Å
333K97.2Very high95.2Very high118 Ų11852.3 Ų52.351%0.51329%0.287SS..Hα-helixtrans-61.2-46172-178.8-179.3176.4-176.10111.5A329 E331 A335 A336 D337A329-K333 WeakPolarHBondContact O-CB 3.38Å; A329-K333 PolarHBondContact O-N 3.12Å; E331-K333 PolarHBondContact O-N 2.77Å; K333-A335 VanDerWaalsContact C-N 3.33Å; K333-A335 PolarHBondContact O-N 3.19Å; K333-A336 PolarHBondContact O-N 2.98Å; K333-D337 WeakPolarHBondContact O-CB 3.42Å; K333-D337 PolarHBondContact O-N 3.39Å
334R96.7Very high95.2Very high147 Ų14752.5 Ų52.556%0.55529%0.29SS*.Hα-helixtrans-62.4-40.4177.7-80.1179.4-73.1171.8-1.3112G330 E331 A338G330-R334 WeakPolarHBondContact O-CG 3.39Å; G330-R334 PolarHBondContact O-N 3.31Å; G330-R334 PolarHBondContact O-NE 3.31Å; E331-R334 PolarHBondContact O-N 2.81Å; E331-R334 IonicContact OE1-CZ 3.87Å; E331-R334 IonicContact OE1-NH1 3.41Å; E331-R334 IonicContact OE1-NH2 2.77Å; E331-R334 PolarHBondContact OE1-NH2 3.27Å; E331-R334 IonicContact OE2-CZ 3.85Å; E331-R334 IonicContact OE2-NH2 3.69Å; E331-R334 PolarHBondContact OE2-NH2 2.69Å; R334-A338 VanDerWaalsContact O-CB 3.26Å; R334-A338 WeakPolarHBondContact O-CB 3.39Å; R334-A338 PolarHBondContact O-N 2.76Å
335A97.2Very high95Very high1 Ų159.6 Ų59.61%0.00832%0.323CS..Hα-helixtrans-65.7-38.7175.400000112.2E331 L332 K333 A339 L356 I432E331-A335 PolarHBondContact O-N 2.83Å; L332-A335 PolarHBondContact O-N 3.37Å; K333-A335 VanDerWaalsContact C-N 3.33Å; K333-A335 PolarHBondContact O-N 3.19Å; A335-A339 VanDerWaalsContact O-CB 3.3Å; A335-A339 WeakPolarHBondContact O-CB 3.46Å; A335-A339 PolarHBondContact O-N 3.21Å; A335-L356 HydrophobicContact CB-CD2 4.43Å; A335-L356 HydrophobicContact CB-CG 4.42Å; A335-I432 HydrophobicContact CB-CD1 4.05Å
336A97.2Very high95Very high0 Ų066.2 Ų66.20%035%0.352CS..Hα-helixtrans-66.3-47.5175.200000112.5L332 K333 A338 A339 E340 N428 R431 I432L332-A336 WeakPolarHBondContact O-CB 3.5Å; L332-A336 PolarHBondContact O-N 2.82Å; K333-A336 PolarHBondContact O-N 2.98Å; A336-A338 VanDerWaalsContact C-N 3.31Å; A336-A338 PolarHBondContact O-N 2.97Å; A336-A339 PolarHBondContact O-N 3.38Å; A336-E340 PolarHBondContact O-N 2.85Å; A336-N428 HydrophobicContact CB-CB 4.14Å; A336-R431 HydrophobicContact CB-CB 4.22Å; A336-I432 HydrophobicContact CB-CD1 4.21Å; A336-I432 HydrophobicContact CB-CG1 3.83Å
337D97.2Very high95Very high55 Ų5563.6 Ų63.629%0.29433%0.33SS..Hα-helixtrans-60.8-42.3176.7-61.6-13.7000110.3K333 E340 E341 R431K333-D337 WeakPolarHBondContact O-CB 3.42Å; K333-D337 PolarHBondContact O-N 3.39Å; D337-E340 PolarHBondContact O-N 2.84Å; D337-E341 WeakPolarHBondContact O-CG 3.11Å; D337-E341 PolarHBondContact O-N 3.16Å; D337-E341 VanDerWaalsContact O-N 3.13Å; D337-R431 IonicContact OD1-CZ 3.92Å; D337-R431 IonicContact OD1-NH1 2.66Å; D337-R431 PolarHBondContact OD1-NH1 3.35Å; D337-R431 VanDerWaalsContact OD1-NH1 3.17Å; D337-R431 IonicContact OD1-NH2 2.96Å; D337-R431 PolarHBondContact OD1-NH2 2.85Å
338A96.4Very high95Very high12 Ų1259.5 Ų59.510%0.09931%0.309CS..Hα-helixtrans-67.5-34.2175.900000113.7R334 A336 G342 H347 N351 V352R334-A338 VanDerWaalsContact O-CB 3.26Å; R334-A338 WeakPolarHBondContact O-CB 3.39Å; R334-A338 PolarHBondContact O-N 2.76Å; A336-A338 VanDerWaalsContact C-N 3.31Å; A336-A338 PolarHBondContact O-N 2.97Å; A338-G342 PolarHBondContact O-N 3Å; A338-H347 PolarHBondContact O-NE2 2.94Å; A338-N351 HydrophobicContact CB-CB 3.9Å; A338-V352 HydrophobicContact CB-CG2 4.19Å
339A95.6Very high94.8Very high3 Ų364 Ų643%0.02533%0.33CS..Hα-helixtrans-67.8-40.2176.700000111.7A335 A336 G342 W348 V352 I432 A435A335-A339 VanDerWaalsContact O-CB 3.3Å; A335-A339 WeakPolarHBondContact O-CB 3.46Å; A335-A339 PolarHBondContact O-N 3.21Å; A336-A339 PolarHBondContact O-N 3.38Å; A339-G342 PolarHBondContact O-N 2.78Å; A339-W348 HydrophobicContact CB-CH2 3.98Å; A339-W348 HydrophobicContact CB-CZ3 3.75Å; A339-W348 WeakPolarHBondContact O-CH2 3.39Å; A339-V352 HydrophobicContact CB-CG1 4.09Å; A339-V352 HydrophobicContact CB-CG2 3.92Å; A339-I432 HydrophobicContact CB-CB 4.47Å; A339-I432 HydrophobicContact CB-CG1 4.21Å; A339-I432 HydrophobicContact CB-CG2 4.2Å; A339-A435 HydrophobicContact CB-CB 3.97Å
340E95.1Very high94.8Very high109 Ų10969.8 Ų69.851%0.50934%0.344SS..Hα-helixtrans-70-33.2176.9-72.3175.2177.800113A336 D337 G342 R431A336-E340 PolarHBondContact O-N 2.85Å; D337-E340 PolarHBondContact O-N 2.84Å; E340-G342 PolarHBondContact O-N 2.9Å; E340-R431 IonicContact OE1-CZ 3.81Å; E340-R431 IonicContact OE1-NE 3.17Å; E340-R431 PolarHBondContact OE1-NE 3.41Å; E340-R431 IonicContact OE1-NH2 3.43Å; E340-R431 PolarHBondContact OE1-NH2 3.38Å; E340-R431 IonicContact OE2-CZ 3.51Å; E340-R431 IonicContact OE2-NE 2.75Å; E340-R431 IonicContact OE2-NH2 2.64Å; E340-R431 PolarHBondContact OE2-NH2 3.32Å
341E93.8Very high94.9Very high158 Ų15871.5 Ų71.574%0.73835%0.346SS*.Hα-helixtrans-64-26.4174-76.2176.6-179.500112.6D337D337-E341 WeakPolarHBondContact O-CG 3.11Å; D337-E341 PolarHBondContact O-N 3.16Å; D337-E341 VanDerWaalsContact O-N 3.13Å
342G90.1Very high94.9Very high22 Ų2269.4 Ų69.423%0.22734%0.336CS..  trans65.1178.2-171.700000112.6A338 A339 E340 H347A338-G342 PolarHBondContact O-N 3Å; A339-G342 PolarHBondContact O-N 2.78Å; E340-G342 PolarHBondContact O-N 2.9Å; G342-H347 PolarHBondContact O-CD2 2.75Å; G342-H347 VanDerWaalsContact O-CD2 3.26Å; G342-H347 PolarHBondContact O-NE2 2.85Å; G342-H347 VanDerWaalsContact O-NE2 3.13Å
343G90.7Very high94.8Very high48 Ų4871.5 Ų71.550%0.49534%0.344SS..  trans167.8-170-179.400000113.3
344D92Very high94.8Very high108 Ų10866.7 Ų66.758%0.57833%0.326SS*.  trans-78.2175.7172.664.95.5000111.9F346 H347 W348D344-F346 PolarHBondContact O-N 3.16Å; D344-F346 PolarHBondContact OD1-N 3.46Å; D344-H347 WeakPolarHBondContact O-CB 3.31Å; D344-H347 PolarHBondContact O-N 3.42Å; D344-H347 VanDerWaalsContact O-N 3.11Å; D344-H347 WeakPolarHBondContact OD1-CB 3.02Å; D344-H347 PolarHBondContact OD1-N 3.01Å; D344-W348 VanDerWaalsContact O-CD1 3.31Å; D344-W348 PolarHBondContact O-N 3.39Å; D344-W348 VanDerWaalsContact O-N 3.11Å
345E90.2Very high94.8Very high173 Ų17360.8 Ų60.881%0.80831%0.307SS*.Hα-helixtrans-55.7-36.9178.6-169.5-171.5166.800112.1W348 H349E345-W348 PolarHBondContact O-N 3.17Å; E345-H349 WeakPolarHBondContact O-CB 3.47Å; E345-H349 PolarHBondContact O-N 3.16Å
346F93.2Very high94.8Very high148 Ų14860.8 Ų60.865%0.64931%0.307SS*.Hα-helixtrans-66.2-41.5177.9-176-97.7000111.7D344 H349 R350D344-F346 PolarHBondContact O-N 3.16Å; D344-F346 PolarHBondContact OD1-N 3.46Å; F346-H349 PolarHBondContact O-N 3.22Å; F346-R350 HydrophobicContact CE1-CB 4.26Å; F346-R350 HydrophobicContact CE1-CG 4.36Å; F346-R350 HydrophobicContact CZ-CB 4.4Å; F346-R350 HydrophobicContact CZ-CG 4.42Å; F346-R350 WeakPolarHBondContact O-CB 3.47Å; F346-R350 PolarHBondContact O-N 2.87Å
347H95.6Very high94.7Very high29 Ų2964.8 Ų64.813%0.13432%0.324CS..Hα-helixtrans-60-50.8174.5177.883.6000111.8A338 G342 D344 H349 R350 N351A338-H347 PolarHBondContact O-NE2 2.94Å; G342-H347 PolarHBondContact O-CD2 2.75Å; G342-H347 VanDerWaalsContact O-CD2 3.26Å; G342-H347 PolarHBondContact O-NE2 2.85Å; G342-H347 VanDerWaalsContact O-NE2 3.13Å; D344-H347 WeakPolarHBondContact O-CB 3.31Å; D344-H347 PolarHBondContact O-N 3.42Å; D344-H347 VanDerWaalsContact O-N 3.11Å; D344-H347 WeakPolarHBondContact OD1-CB 3.02Å; D344-H347 PolarHBondContact OD1-N 3.01Å; H347-H349 VanDerWaalsContact C-N 3.35Å; H347-H349 PolarHBondContact O-N 3.48Å; H347-R350 PolarHBondContact O-N 3.46Å; H347-N351 PolarHBondContact ND1-ND2 3.28Å; H347-N351 VanDerWaalsContact O-CB 3.31Å; H347-N351 WeakPolarHBondContact O-CB 3.41Å; H347-N351 PolarHBondContact O-N 2.8Å
348W94.8Very high94.6Very high7 Ų769.5 Ų69.53%0.02734%0.339CS..Iπ-helixtrans-60.6-44178-77.6103.2000112.1A339 D344 E345 V352 Y353 A435 T436 L442A339-W348 HydrophobicContact CB-CH2 3.98Å; A339-W348 HydrophobicContact CB-CZ3 3.75Å; A339-W348 WeakPolarHBondContact O-CH2 3.39Å; D344-W348 VanDerWaalsContact O-CD1 3.31Å; D344-W348 PolarHBondContact O-N 3.39Å; D344-W348 VanDerWaalsContact O-N 3.11Å; E345-W348 PolarHBondContact O-N 3.17Å; W348-V352 HydrophobicContact CE3-CB 3.95Å; W348-V352 HydrophobicContact CE3-CG1 4.11Å; W348-V352 HydrophobicContact CE3-CG2 3.73Å; W348-V352 HydrophobicContact CZ3-CB 4.41Å; W348-V352 HydrophobicContact CZ3-CG1 4.16Å; W348-V352 HydrophobicContact CZ3-CG2 4.06Å; W348-V352 WeakPolarHBondContact O-CB 3.45Å; W348-V352 PolarHBondContact O-N 3.09Å; W348-Y353 PolarHBondContact O-N 3.4Å; W348-A435 HydrophobicContact CH2-CB 4.23Å; W348-T436 HydrophobicContact CZ3-CG2 4.16Å; W348-L442 HydrophobicContact CB-CD2 4.22Å; W348-L442 HydrophobicContact CD2-CD1 3.49Å; W348-L442 VanDerWaalsContact CD2-CD1 3.49Å; W348-L442 HydrophobicContact CD2-CD2 4.15Å; W348-L442 VanDerWaalsContact CE2-CD1 3.43Å; W348-L442 HydrophobicContact CE3-CD1 3.64Å; W348-L442 HydrophobicContact CG-CD1 4.15Å; W348-L442 HydrophobicContact CG-CD2 3.99Å; W348-L442 HydrophobicContact CH2-CD1 3.7Å; W348-L442 HydrophobicContact CZ2-CD1 3.55Å; W348-L442 HydrophobicContact CZ3-CD1 3.74Å
349H93.4Very high94.6Very high95 Ų9570.4 Ų70.444%0.4435%0.345SS..Iπ-helixtrans-66.8-45.1179.2-166.581.6000112.2E345 F346 H347 Y353 A354E345-H349 WeakPolarHBondContact O-CB 3.47Å; E345-H349 PolarHBondContact O-N 3.16Å; F346-H349 PolarHBondContact O-N 3.22Å; H347-H349 VanDerWaalsContact C-N 3.35Å; H347-H349 PolarHBondContact O-N 3.48Å; H349-Y353 AromaticContact CE1-CD1 3.99Å; H349-A354 VanDerWaalsContact O-CB 3.24Å; H349-A354 WeakPolarHBondContact O-CB 3.42Å; H349-A354 PolarHBondContact O-N 2.85Å
350R95.8Very high94.6Very high157 Ų15770.2 Ų70.259%0.59234%0.343SS*.Iπ-helixtrans-81-40.2-172.8179.658.1178.7177.21.3113.8F346 H347 P355F346-R350 HydrophobicContact CE1-CB 4.26Å; F346-R350 HydrophobicContact CE1-CG 4.36Å; F346-R350 HydrophobicContact CZ-CB 4.4Å; F346-R350 HydrophobicContact CZ-CG 4.42Å; F346-R350 WeakPolarHBondContact O-CB 3.47Å; F346-R350 PolarHBondContact O-N 2.87Å; H347-R350 PolarHBondContact O-N 3.46Å; R350-P355 WeakPolarHBondContact O-CD 3.11Å
351N96.9Very high94.7Very high68 Ų6865.6 Ų65.636%0.36432%0.323SS..Iπ-helixtrans-104.9-19.7-168.3-60.1-36000113.2A338 H347 P355A338-N351 HydrophobicContact CB-CB 3.9Å; H347-N351 PolarHBondContact ND1-ND2 3.28Å; H347-N351 VanDerWaalsContact O-CB 3.31Å; H347-N351 WeakPolarHBondContact O-CB 3.41Å; H347-N351 PolarHBondContact O-N 2.8Å; N351-P355 WeakPolarHBondContact O-CG 3.5Å
352V96.4Very high94.7Very high0 Ų063.6 Ų63.60%031%0.314CS..Iπ-helixtrans-111.6-63178.2-172.30000110.5A338 A339 W348 P355 L356 I432 V445A338-V352 HydrophobicContact CB-CG2 4.19Å; A339-V352 HydrophobicContact CB-CG1 4.09Å; A339-V352 HydrophobicContact CB-CG2 3.92Å; W348-V352 HydrophobicContact CE3-CB 3.95Å; W348-V352 HydrophobicContact CE3-CG1 4.11Å; W348-V352 HydrophobicContact CE3-CG2 3.73Å; W348-V352 HydrophobicContact CZ3-CB 4.41Å; W348-V352 HydrophobicContact CZ3-CG1 4.16Å; W348-V352 HydrophobicContact CZ3-CG2 4.06Å; W348-V352 WeakPolarHBondContact O-CB 3.45Å; W348-V352 PolarHBondContact O-N 3.09Å; V352-P355 WeakPolarHBondContact O-CD 3.24Å; V352-L356 HydrophobicContact CG1-CD1 4.17Å; V352-L356 WeakPolarHBondContact O-CG 3.18Å; V352-L356 PolarHBondContact O-N 3.2Å; V352-I432 HydrophobicContact CG1-CG2 3.82Å; V352-V445 HydrophobicContact CG1-CG1 3.91Å
353Y96Very high94.9Very high44 Ų4463.7 Ų63.717%0.17331%0.309CS..Iπ-helixtrans-64.9-49.9-174.9-179-97.3000113.2W348 H349 L356 K357 F444 V445 L448W348-Y353 PolarHBondContact O-N 3.4Å; H349-Y353 AromaticContact CE1-CD1 3.99Å; Y353-L356 PolarHBondContact O-N 2.88Å; Y353-K357 HydrophobicContact CD1-CB 4.36Å; Y353-K357 HydrophobicContact CE1-CB 3.99Å; Y353-K357 HydrophobicContact CE1-CG 4.1Å; Y353-K357 VanDerWaalsContact O-CB 3.32Å; Y353-K357 WeakPolarHBondContact O-CB 3.14Å; Y353-K357 PolarHBondContact O-N 3.13Å; Y353-F444 AromaticContact CD2-CD2 3.4Å; Y353-F444 HydrophobicContact CD2-CD2 3.4Å; Y353-F444 AromaticContact CD2-CE2 3.61Å; Y353-F444 HydrophobicContact CD2-CE2 3.61Å; Y353-F444 AromaticContact CE2-CD2 3.6Å; Y353-F444 HydrophobicContact CE2-CD2 3.6Å; Y353-F444 HydrophobicContact CE2-CE2 4.23Å; Y353-F444 HydrophobicContact CG-CD2 4Å; Y353-F444 AromaticContact CG-CE2 3.76Å; Y353-F444 HydrophobicContact CG-CE2 3.76Å; Y353-V445 HydrophobicContact CD2-CG2 4.34Å; Y353-L448 HydrophobicContact CD2-CD2 3.68Å; Y353-L448 HydrophobicContact CE2-CB 4.4Å; Y353-L448 HydrophobicContact CE2-CD2 3.64Å; Y353-L448 HydrophobicContact CG-CD2 4.48Å
354A95.5Very high95.2Very high17 Ų1761.4 Ų61.414%0.1429%0.286CS..Hα-helixtrans-62.7-44.6-175.300000113.7H349 L356 K357 Y358H349-A354 VanDerWaalsContact O-CB 3.24Å; H349-A354 WeakPolarHBondContact O-CB 3.42Å; H349-A354 PolarHBondContact O-N 2.85Å; A354-L356 PolarHBondContact O-N 3.38Å; A354-K357 PolarHBondContact O-N 3.37Å; A354-Y358 HydrophobicContact CB-CD2 3.97Å; A354-Y358 HydrophobicContact CB-CE2 4.24Å; A354-Y358 WeakPolarHBondContact O-CB 3.45Å; A354-Y358 WeakPolarHBondContact O-CD2 3.44Å; A354-Y358 PolarHBondContact O-N 3.33Å
355P97.3Very high95.1Very high23 Ų2359.7 Ų59.715%0.14928%0.276CS..Hα-helixtrans-61.6-41.1174.1-26.737.4000112.8R350 N351 V352 S359 V360R350-P355 WeakPolarHBondContact O-CD 3.11Å; N351-P355 WeakPolarHBondContact O-CG 3.5Å; V352-P355 WeakPolarHBondContact O-CD 3.24Å; P355-S359 WeakPolarHBondContact O-CA 3.35Å; P355-S359 VanDerWaalsContact O-CB 3.29Å; P355-S359 WeakPolarHBondContact O-CB 3.43Å; P355-S359 PolarHBondContact O-N 3.45Å; P355-S359 VanDerWaalsContact O-N 3.15Å; P355-V360 PolarHBondContact O-N 3.21Å
356L97.3Very high95.2Very high0 Ų052.8 Ų52.80%025%0.247CC..Iπ-helixtrans-62.9-46.5176-68.6177000111.7L332 A335 V352 Y353 A354 V360 A361 L429 I432 V445 L448 V449 L452L332-L356 HydrophobicContact CD1-CD2 3.41Å; L332-L356 VanDerWaalsContact CD1-CD2 3.41Å; A335-L356 HydrophobicContact CB-CD2 4.43Å; A335-L356 HydrophobicContact CB-CG 4.42Å; V352-L356 HydrophobicContact CG1-CD1 4.17Å; V352-L356 WeakPolarHBondContact O-CG 3.18Å; V352-L356 PolarHBondContact O-N 3.2Å; Y353-L356 PolarHBondContact O-N 2.88Å; A354-L356 PolarHBondContact O-N 3.38Å; L356-V360 HydrophobicContact CD2-CG2 4.31Å; L356-A361 WeakPolarHBondContact O-CB 3.35Å; L356-A361 PolarHBondContact O-N 3.46Å; L356-L429 HydrophobicContact CD2-CD2 4.37Å; L356-I432 HydrophobicContact CD1-CD1 4.14Å; L356-I432 HydrophobicContact CD1-CG2 4.3Å; L356-I432 HydrophobicContact CD2-CD1 3.95Å; L356-I432 HydrophobicContact CG-CD1 4.47Å; L356-V445 HydrophobicContact CD1-CG1 4.45Å; L356-L448 HydrophobicContact CB-CD2 3.59Å; L356-L448 HydrophobicContact CB-CG 4.24Å; L356-V449 HydrophobicContact CD1-CG2 3.89Å; L356-L452 HydrophobicContact CB-CD1 3.97Å; L356-L452 HydrophobicContact CD2-CD1 3.86Å; L356-L452 HydrophobicContact CG-CD1 4.4Å
357K96.1Very high95.1Very high85 Ų8546 Ų4637%0.3722%0.218SC..Iπ-helixtrans-77.8-41.2-171.2-175.857.2179.1171.70113.6Y353 A354 A361 L448Y353-K357 HydrophobicContact CD1-CB 4.36Å; Y353-K357 HydrophobicContact CE1-CB 3.99Å; Y353-K357 HydrophobicContact CE1-CG 4.1Å; Y353-K357 VanDerWaalsContact O-CB 3.32Å; Y353-K357 WeakPolarHBondContact O-CB 3.14Å; Y353-K357 PolarHBondContact O-N 3.13Å; A354-K357 PolarHBondContact O-N 3.37Å; K357-A361 WeakPolarHBondContact O-CB 3.37Å; K357-L448 HydrophobicContact CB-CD2 3.73Å; K357-L448 HydrophobicContact CD-CD1 3.91Å; K357-L448 HydrophobicContact CD-CD2 4.32Å
358Y94.5Very high94.9Very high153 Ų15346.2 Ų46.260%0.622%0.22SC*.Iπ-helixtrans-107-8.4-169.7-56-64.6000113.6A354 E362A354-Y358 HydrophobicContact CB-CD2 3.97Å; A354-Y358 HydrophobicContact CB-CE2 4.24Å; A354-Y358 WeakPolarHBondContact O-CB 3.45Å; A354-Y358 WeakPolarHBondContact O-CD2 3.44Å; A354-Y358 PolarHBondContact O-N 3.33Å; Y358-E362 WeakPolarHBondContact O-CG 3.47Å
359S95.6Very high94.6Very high31 Ų3150.8 Ų50.822%0.21724%0.244CC..Iπ-helixtrans-121.1-59.9175.5-167.10000111.6P355 E362 I363P355-S359 WeakPolarHBondContact O-CA 3.35Å; P355-S359 VanDerWaalsContact O-CB 3.29Å; P355-S359 WeakPolarHBondContact O-CB 3.43Å; P355-S359 PolarHBondContact O-N 3.45Å; P355-S359 VanDerWaalsContact O-N 3.15Å; S359-E362 PolarHBondContact O-N 3.39Å; S359-I363 VanDerWaalsContact O-CG1 3.26Å; S359-I363 WeakPolarHBondContact O-CG1 3.49Å; S359-I363 PolarHBondContact O-N 3.23Å
360V97.1Very high94.4Very high0 Ų046.8 Ų46.80%023%0.227CC..Iπ-helixtrans-63.3-47.6-176.3177.50000111.3V328 E331 L332 P355 L356 E362 I363 F364 L452V328-V360 HydrophobicContact CG1-CG1 3.89Å; V328-V360 HydrophobicContact CG1-CG2 4.32Å; E331-V360 HydrophobicContact CB-CG2 4.15Å; L332-V360 HydrophobicContact CB-CG2 4.4Å; P355-V360 PolarHBondContact O-N 3.21Å; L356-V360 HydrophobicContact CD2-CG2 4.31Å; V360-E362 PolarHBondContact O-N 2.9Å; V360-I363 PolarHBondContact O-N 2.98Å; V360-F364 HydrophobicContact CG1-CD2 4.39Å; V360-F364 HydrophobicContact CG1-CE1 4.36Å; V360-F364 HydrophobicContact CG1-CE2 4.13Å; V360-F364 HydrophobicContact CG1-CZ 4.12Å; V360-F364 PolarHBondContact O-N 3.14Å; V360-L452 HydrophobicContact CB-CD1 4.45Å; V360-L452 HydrophobicContact CG1-CD1 4.06Å; V360-L452 HydrophobicContact CG1-CD2 4.13Å
361A95.9Very high94.1Very high11 Ų1140.3 Ų40.39%0.09120%0.203CC..Hα-helixtrans-59.8-47.3177.600000112.2L356 K357 I363 F364 D365 L452L356-A361 WeakPolarHBondContact O-CB 3.35Å; L356-A361 PolarHBondContact O-N 3.46Å; K357-A361 WeakPolarHBondContact O-CB 3.37Å; A361-I363 VanDerWaalsContact C-N 3.31Å; A361-I363 PolarHBondContact O-N 3.37Å; A361-F364 PolarHBondContact O-N 3.47Å; A361-D365 WeakPolarHBondContact O-CB 3.3Å; A361-D365 PolarHBondContact O-N 3.37Å; A361-L452 HydrophobicContact CB-CD2 3.89Å
362E93.8Very high93.8Very high117 Ų11743.5 Ų43.555%0.54721%0.21SC..Hα-helixtrans-61.9-37.4179.3-65.8-63.6136.600112.4Y358 S359 V360 D365 S366Y358-E362 WeakPolarHBondContact O-CG 3.47Å; S359-E362 PolarHBondContact O-N 3.39Å; V360-E362 PolarHBondContact O-N 2.9Å; E362-D365 PolarHBondContact O-N 2.99Å; E362-S366 PolarHBondContact O-N 2.94Å
363I95.4Very high93.3Very high23 Ų2345.5 Ų45.512%0.11822%0.221CC..Hα-helixtrans-72.2-39.7176.9-61.8164.6000110.9Q324 I327 V328 S359 V360 A361 D365 S366 I367Q324-I363 HydrophobicContact CB-CG2 3.74Å; Q324-I363 HydrophobicContact CG-CG2 4.16Å; I327-I363 HydrophobicContact CB-CD1 4.29Å; I327-I363 HydrophobicContact CG2-CD1 3.7Å; V328-I363 HydrophobicContact CG2-CB 3.48Å; V328-I363 VanDerWaalsContact CG2-CB 3.48Å; V328-I363 HydrophobicContact CG2-CD1 3.55Å; V328-I363 HydrophobicContact CG2-CG1 4.11Å; V328-I363 HydrophobicContact CG2-CG2 3.31Å; S359-I363 VanDerWaalsContact O-CG1 3.26Å; S359-I363 WeakPolarHBondContact O-CG1 3.49Å; S359-I363 PolarHBondContact O-N 3.23Å; V360-I363 PolarHBondContact O-N 2.98Å; A361-I363 VanDerWaalsContact C-N 3.31Å; A361-I363 PolarHBondContact O-N 3.37Å; I363-D365 VanDerWaalsContact C-N 3.31Å; I363-D365 PolarHBondContact O-N 3.4Å; I363-S366 WeakPolarHBondContact O-CB 3.16Å; I363-S366 PolarHBondContact O-N 3.07Å; I363-S366 VanDerWaalsContact O-N 3.16Å; I363-I367 HydrophobicContact CG2-CD1 4.1Å; I363-I367 HydrophobicContact CG2-CG1 4.43Å; I363-I367 WeakPolarHBondContact O-CG1 3.36Å; I363-I367 PolarHBondContact O-N 2.92Å
364F96.2Very high93.1Very high1 Ų143.7 Ų43.70%0.00421%0.214CC..Hα-helixtrans-61.4-40172.7-77.82.1000111.9V328 V360 A361 S366 I367 D368 L425 L452 K455 L456 I459V328-F364 HydrophobicContact CG1-CE1 3.76Å; V328-F364 HydrophobicContact CG1-CZ 4.26Å; V328-F364 HydrophobicContact CG2-CE1 4.46Å; V360-F364 HydrophobicContact CG1-CD2 4.39Å; V360-F364 HydrophobicContact CG1-CE1 4.36Å; V360-F364 HydrophobicContact CG1-CE2 4.13Å; V360-F364 HydrophobicContact CG1-CZ 4.12Å; V360-F364 PolarHBondContact O-N 3.14Å; A361-F364 PolarHBondContact O-N 3.47Å; F364-S366 VanDerWaalsContact C-N 3.32Å; F364-S366 PolarHBondContact O-N 3.48Å; F364-I367 HydrophobicContact CD1-CD1 4.47Å; F364-I367 PolarHBondContact O-N 3.27Å; F364-D368 WeakPolarHBondContact O-CB 3.49Å; F364-D368 PolarHBondContact O-N 2.95Å; F364-L425 HydrophobicContact CE1-CD1 4.07Å; F364-L425 HydrophobicContact CZ-CD1 4.23Å; F364-L452 HydrophobicContact CD2-CD2 3.75Å; F364-L452 HydrophobicContact CE2-CB 4.3Å; F364-L452 HydrophobicContact CE2-CD2 4.18Å; F364-K455 HydrophobicContact CB-CD 4.13Å; F364-K455 HydrophobicContact CB-CG 4.41Å; F364-L456 HydrophobicContact CE1-CD1 4.36Å; F364-L456 HydrophobicContact CE2-CB 3.96Å; F364-L456 HydrophobicContact CZ-CB 4.21Å; F364-L456 HydrophobicContact CZ-CD1 4.04Å; F364-L456 HydrophobicContact CZ-CD2 4.33Å; F364-L456 HydrophobicContact CZ-CG 4.43Å; F364-I459 HydrophobicContact CB-CD1 4.36Å
365D91Very high92.8Very high71 Ų7144.7 Ų44.738%0.3822%0.217SC..Hα-helixtrans-61.7-40.8173.1-7424.2000111.1A361 E362 I363 D368 L369 K455A361-D365 WeakPolarHBondContact O-CB 3.3Å; A361-D365 PolarHBondContact O-N 3.37Å; E362-D365 PolarHBondContact O-N 2.99Å; I363-D365 VanDerWaalsContact C-N 3.31Å; I363-D365 PolarHBondContact O-N 3.4Å; D365-D368 PolarHBondContact O-N 2.93Å; D365-L369 WeakPolarHBondContact O-CB 3.13Å; D365-L369 PolarHBondContact O-N 2.93Å; D365-K455 VanDerWaalsContact CG-NZ 3.26Å; D365-K455 WeakPolarHBondContact OD1-CE 3.39Å; D365-K455 IonicContact OD1-NZ 3.88Å; D365-K455 PolarHBondContact OD1-NZ 3.36Å; D365-K455 IonicContact OD2-NZ 3.97Å
366S91.2Very high92.4Very high29 Ų2946.6 Ų46.620%0.20322%0.224CC..Hα-helixtrans-67.2-34.3174.4-178.40000113.5Q324 E362 I363 F364 T370Q324-S366 PolarHBondContact NE2-OG 2.97Å; E362-S366 PolarHBondContact O-N 2.94Å; I363-S366 WeakPolarHBondContact O-CB 3.16Å; I363-S366 PolarHBondContact O-N 3.07Å; I363-S366 VanDerWaalsContact O-N 3.16Å; F364-S366 VanDerWaalsContact C-N 3.32Å; F364-S366 PolarHBondContact O-N 3.48Å; S366-T370 WeakPolarHBondContact O-CB 3.35Å; S366-T370 PolarHBondContact O-N 3.33Å; S366-T370 PolarHBondContact O-OG1 2.71Å
367I92.5Very high92.1Very high4 Ų450.4 Ų50.42%0.02124%0.241CC..Hα-helixtrans-70.2-45.6176.4-68.5169.7000109.8L321 Q324 L325 I363 F364 L369 T370 Q371 L418 I459L321-I367 HydrophobicContact CD1-CB 4.46Å; L321-I367 HydrophobicContact CD1-CD1 4.02Å; L321-I367 HydrophobicContact CD1-CG1 3.82Å; L321-I367 HydrophobicContact CD1-CG2 3.88Å; Q324-I367 HydrophobicContact CB-CD1 4.39Å; Q324-I367 HydrophobicContact CB-CG1 4.46Å; L325-I367 HydrophobicContact CD2-CD1 3.87Å; L325-I367 HydrophobicContact CG-CD1 4.23Å; I363-I367 HydrophobicContact CG2-CD1 4.1Å; I363-I367 HydrophobicContact CG2-CG1 4.43Å; I363-I367 WeakPolarHBondContact O-CG1 3.36Å; I363-I367 PolarHBondContact O-N 2.92Å; F364-I367 HydrophobicContact CD1-CD1 4.47Å; F364-I367 PolarHBondContact O-N 3.27Å; I367-L369 VanDerWaalsContact C-N 3.32Å; I367-L369 PolarHBondContact O-N 2.66Å; I367-T370 WeakPolarHBondContact O-CA 3.33Å; I367-T370 WeakPolarHBondContact O-CB 3.26Å; I367-T370 PolarHBondContact O-N 3.37Å; I367-T370 VanDerWaalsContact O-N 3.07Å; I367-Q371 PolarHBondContact O-N 3.02Å; I367-L418 HydrophobicContact CG2-CD2 4.02Å; I367-I459 HydrophobicContact CB-CD1 4.48Å; I367-I459 HydrophobicContact CG2-CD1 4.29Å; I367-I459 HydrophobicContact CG2-CG2 3.83Å
368D91.5Very high91.9Very high34 Ų3447.1 Ų47.118%0.18223%0.227CC..Hα-helixtrans-57.2-45.2174-179.663.7000111.1F364 D365 T370 Q371 R372 I459F364-D368 WeakPolarHBondContact O-CB 3.49Å; F364-D368 PolarHBondContact O-N 2.95Å; D365-D368 PolarHBondContact O-N 2.93Å; D368-T370 VanDerWaalsContact C-N 3.29Å; D368-T370 PolarHBondContact O-N 2.86Å; D368-Q371 PolarHBondContact O-N 2.81Å; D368-R372 WeakPolarHBondContact O-CG 3.3Å; D368-R372 PolarHBondContact O-N 3.23Å; D368-R372 IonicContact OD1-CZ 3.22Å; D368-R372 IonicContact OD1-NE 2.74Å; D368-R372 IonicContact OD1-NH2 3.79Å; D368-R372 PolarHBondContact OD1-NH2 3.02Å; D368-R372 IonicContact OD2-CZ 3.13Å; D368-R372 IonicContact OD2-NE 2.77Å; D368-R372 PolarHBondContact OD2-NE 3.44Å; D368-R372 IonicContact OD2-NH2 2.67Å; D368-R372 PolarHBondContact OD2-NH2 3.24Å; D368-I459 HydrophobicContact CB-CD1 4.22Å; D368-I459 HydrophobicContact CB-CG1 4.24Å
369L88.1Confident91.7Very high103 Ų10344.9 Ų44.954%0.53922%0.222SC..Hα-helixtrans-61.7-38.6175.6-174.664.5000112.1D365 I367 R372 L373D365-L369 WeakPolarHBondContact O-CB 3.13Å; D365-L369 PolarHBondContact O-N 2.93Å; I367-L369 VanDerWaalsContact C-N 3.32Å; I367-L369 PolarHBondContact O-N 2.66Å; L369-R372 PolarHBondContact O-N 2.95Å; L369-L373 WeakPolarHBondContact O-CG 3.15Å; L369-L373 PolarHBondContact O-N 3.17Å; L369-L373 VanDerWaalsContact O-N 3.1Å
370T88.8Confident91.4Very high12 Ų1248.3 Ų48.37%0.07424%0.235CC..Hα-helixtrans-66.2-40.2177.1-570000110.8F316 S366 I367 D368 L373 M374F316-T370 HydrophobicContact CD1-CG2 4.4Å; F316-T370 HydrophobicContact CD2-CG2 4.4Å; F316-T370 HydrophobicContact CE1-CG2 3.65Å; F316-T370 HydrophobicContact CE2-CG2 3.72Å; F316-T370 WeakPolarHBondContact CE2-O 3.17Å; F316-T370 HydrophobicContact CZ-CG2 3.33Å; F316-T370 WeakPolarHBondContact CZ-O 3.35Å; S366-T370 WeakPolarHBondContact O-CB 3.35Å; S366-T370 PolarHBondContact O-N 3.33Å; S366-T370 PolarHBondContact O-OG1 2.71Å; I367-T370 WeakPolarHBondContact O-CA 3.33Å; I367-T370 WeakPolarHBondContact O-CB 3.26Å; I367-T370 PolarHBondContact O-N 3.37Å; I367-T370 VanDerWaalsContact O-N 3.07Å; D368-T370 VanDerWaalsContact C-N 3.29Å; D368-T370 PolarHBondContact O-N 2.86Å; T370-L373 WeakPolarHBondContact O-CB 3.34Å; T370-L373 PolarHBondContact O-N 3.26Å; T370-M374 PolarHBondContact O-N 2.91Å; T370-M374 VanDerWaalsContact O-N 3.14Å
371Q89.9Confident91.2Very high20 Ų2048.8 Ų48.89%0.09324%0.238CC..Hα-helixtrans-61.6-43172.3-74.2-175.8-4400112.6I367 D368 L373 M374 D375 I459I367-Q371 PolarHBondContact O-N 3.02Å; D368-Q371 PolarHBondContact O-N 2.81Å; Q371-L373 VanDerWaalsContact C-N 3.25Å; Q371-L373 PolarHBondContact O-N 2.77Å; Q371-M374 WeakPolarHBondContact O-CA 3.37Å; Q371-M374 WeakPolarHBondContact O-CB 3.47Å; Q371-M374 PolarHBondContact O-N 3.3Å; Q371-D375 PolarHBondContact O-N 3.28Å; Q371-I459 PolarHBondContact NE2-O 2.94Å; Q371-I459 PolarHBondContact OE1-O 3.33Å
372R89.2Confident91Very high136 Ų13649 Ų4951%0.51324%0.237SC..Hα-helixtrans-60.8-35176.3-66.5170.6-169.6-75.1-9.8112.8D368 L369 M374 D375 E376D368-R372 WeakPolarHBondContact O-CG 3.3Å; D368-R372 PolarHBondContact O-N 3.23Å; D368-R372 IonicContact OD1-CZ 3.22Å; D368-R372 IonicContact OD1-NE 2.74Å; D368-R372 IonicContact OD1-NH2 3.79Å; D368-R372 PolarHBondContact OD1-NH2 3.02Å; D368-R372 IonicContact OD2-CZ 3.13Å; D368-R372 IonicContact OD2-NE 2.77Å; D368-R372 PolarHBondContact OD2-NE 3.44Å; D368-R372 IonicContact OD2-NH2 2.67Å; D368-R372 PolarHBondContact OD2-NH2 3.24Å; L369-R372 PolarHBondContact O-N 2.95Å; R372-M374 VanDerWaalsContact C-N 3.3Å; R372-D375 WeakPolarHBondContact O-CB 3.33Å; R372-D375 PolarHBondContact O-N 3.1Å; R372-E376 PolarHBondContact O-N 3.01Å
373L86.9Confident90.8Very high42 Ų4246.8 Ų46.822%0.2223%0.229CC..Hα-helixtrans-67.2-32.6172.6-67.9173000111.9R314 L369 T370 Q371 D375 E376 Q377R314-L373 HydrophobicContact CG-CD1 4.46Å; R314-L373 HydrophobicContact CG-CD2 3.96Å; L369-L373 WeakPolarHBondContact O-CG 3.15Å; L369-L373 PolarHBondContact O-N 3.17Å; L369-L373 VanDerWaalsContact O-N 3.1Å; T370-L373 WeakPolarHBondContact O-CB 3.34Å; T370-L373 PolarHBondContact O-N 3.26Å; Q371-L373 VanDerWaalsContact C-N 3.25Å; Q371-L373 PolarHBondContact O-N 2.77Å; L373-D375 VanDerWaalsContact C-N 3.34Å; L373-E376 PolarHBondContact O-N 3.31Å; L373-Q377 PolarHBondContact O-N 3.23Å
374M90.7Very high90.7Very high5 Ų548.4 Ų48.43%0.02524%0.237CC..Hα-helixtrans-64.9-41172.7-16756.7-170.200110.9F316 T370 Q371 R372 E376 Q377 Q378 T407 T410 L411 L414F316-M374 HydrophobicContact CD2-CB 4.42Å; F316-M374 HydrophobicContact CD2-SD 4.14Å; F316-M374 HydrophobicContact CE2-CB 3.49Å; F316-M374 VanDerWaalsContact CE2-CB 3.49Å; F316-M374 HydrophobicContact CE2-CG 4.19Å; F316-M374 HydrophobicContact CE2-SD 4.01Å; F316-M374 HydrophobicContact CZ-CB 3.8Å; F316-M374 HydrophobicContact CZ-CG 4.34Å; F316-M374 HydrophobicContact CZ-SD 4.39Å; T370-M374 PolarHBondContact O-N 2.91Å; T370-M374 VanDerWaalsContact O-N 3.14Å; Q371-M374 WeakPolarHBondContact O-CA 3.37Å; Q371-M374 WeakPolarHBondContact O-CB 3.47Å; Q371-M374 PolarHBondContact O-N 3.3Å; R372-M374 VanDerWaalsContact C-N 3.3Å; M374-E376 VanDerWaalsContact C-N 3.27Å; M374-E376 PolarHBondContact O-N 3.13Å; M374-Q377 WeakPolarHBondContact O-CB 3.37Å; M374-Q377 PolarHBondContact O-N 3Å; M374-Q377 VanDerWaalsContact O-N 3.14Å; M374-Q377 HydrophobicContact SD-CB 4.48Å; M374-Q378 HydrophobicContact CE-CG 4.34Å; M374-Q378 WeakPolarHBondContact O-CG 3.29Å; M374-Q378 PolarHBondContact O-N 3.03Å; M374-T407 HydrophobicContact CE-CG2 3.82Å; M374-T410 HydrophobicContact CE-CG2 3.78Å; M374-T410 HydrophobicContact SD-CG2 4.13Å; M374-L411 HydrophobicContact CE-CD2 3.56Å; M374-L411 HydrophobicContact CE-CG 3.66Å; M374-L411 HydrophobicContact CG-CD2 3.56Å; M374-L411 HydrophobicContact SD-CD2 4.41Å; M374-L414 HydrophobicContact CG-CD1 4.43Å; M374-L414 HydrophobicContact SD-CD1 4.46Å
375D91.2Very high90.6Very high38 Ų3848.3 Ų48.320%0.20324%0.237CC..Hα-helixtrans-59.1-40.9177.4-56.9-28.8000111.1Q371 R372 L373 Q378 Q379 W462Q371-D375 PolarHBondContact O-N 3.28Å; R372-D375 WeakPolarHBondContact O-CB 3.33Å; R372-D375 PolarHBondContact O-N 3.1Å; L373-D375 VanDerWaalsContact C-N 3.34Å; D375-Q378 PolarHBondContact O-N 3.04Å; D375-Q379 WeakPolarHBondContact O-CG 3.35Å; D375-Q379 PolarHBondContact O-N 2.66Å; D375-Q379 VanDerWaalsContact O-N 3.1Å; D375-W462 PolarHBondContact OD1-NE1 2.88Å; D375-W462 WeakPolarHBondContact OD2-CZ2 3.47Å; D375-W462 PolarHBondContact OD2-NE1 3.06Å
376E88.6Confident90.5Very high64 Ų6445.6 Ų45.630%0.29923%0.225SC..Hα-helixtrans-67.8-39.7175.2-68.1-167.5172.100112.5Y309 R314 R372 L373 M374 Q378 Q379 Q380Y309-E376 WeakPolarHBondContact CE2-OE1 3.23Å; Y309-E376 VanDerWaalsContact CZ-OE1 3.31Å; Y309-E376 VanDerWaalsContact OH-CD 3.27Å; Y309-E376 PolarHBondContact OH-OE1 2.75Å; Y309-E376 PolarHBondContact OH-OE2 3.15Å; R314-E376 IonicContact CZ-OE2 3.28Å; R314-E376 IonicContact NH1-OE2 3.39Å; R314-E376 PolarHBondContact NH1-OE2 3.31Å; R314-E376 IonicContact NH2-OE2 3.68Å; R314-E376 PolarHBondContact NH2-OE2 3.47Å; R372-E376 PolarHBondContact O-N 3.01Å; L373-E376 PolarHBondContact O-N 3.31Å; M374-E376 VanDerWaalsContact C-N 3.27Å; M374-E376 PolarHBondContact O-N 3.13Å; E376-Q378 VanDerWaalsContact C-N 3.34Å; E376-Q379 PolarHBondContact O-N 2.91Å; E376-Q380 PolarHBondContact O-N 2.85Å
377Q89.8Confident90.5Very high80 Ų8049.3 Ų49.337%0.37424%0.239SC..Hα-helixtrans-62.4-42.4174-177.3178.8-6.100111.3L373 M374 Q379 Q380 V381L373-Q377 PolarHBondContact O-N 3.23Å; M374-Q377 WeakPolarHBondContact O-CB 3.37Å; M374-Q377 PolarHBondContact O-N 3Å; M374-Q377 VanDerWaalsContact O-N 3.14Å; M374-Q377 HydrophobicContact SD-CB 4.48Å; Q377-Q379 VanDerWaalsContact C-N 3.31Å; Q377-Q379 PolarHBondContact O-N 3.11Å; Q377-Q380 PolarHBondContact O-N 3.19Å; Q377-V381 WeakPolarHBondContact O-CG2 3.16Å; Q377-V381 PolarHBondContact O-N 3.47Å
378Q92Very high90.5Very high15 Ų1551.5 Ų51.57%0.0725%0.25CS..Hα-helixtrans-57.1-45.9174.4-73.5179.1-8400110.8M374 D375 E376 V381 K382 T407 L411 W470M374-Q378 HydrophobicContact CE-CG 4.34Å; M374-Q378 WeakPolarHBondContact O-CG 3.29Å; M374-Q378 PolarHBondContact O-N 3.03Å; D375-Q378 PolarHBondContact O-N 3.04Å; E376-Q378 VanDerWaalsContact C-N 3.34Å; Q378-V381 PolarHBondContact O-N 2.91Å; Q378-K382 WeakPolarHBondContact O-CG 3.49Å; Q378-K382 PolarHBondContact O-N 3.33Å; Q378-T407 HydrophobicContact CG-CG2 3.99Å; Q378-L411 HydrophobicContact CG-CD1 4.4Å; Q378-L411 HydrophobicContact CG-CD2 4.49Å; Q378-L411 VanDerWaalsContact NE2-CD1 3.31Å; Q378-W470 HydrophobicContact CB-CE3 4.02Å; Q378-W470 HydrophobicContact CB-CZ3 3.68Å; Q378-W470 HydrophobicContact CG-CE3 3.94Å; Q378-W470 HydrophobicContact CG-CZ3 3.98Å; Q378-W470 WeakPolarHBondContact O-CZ3 3.38Å
379Q89.7Confident90.5Very high106 Ų10649.9 Ų49.950%0.49524%0.241SC..Hα-helixtrans-63.3-43.6176.9-68.6-64.9-400112.5D375 E376 Q377 V381 K382 D383D375-Q379 WeakPolarHBondContact O-CG 3.35Å; D375-Q379 PolarHBondContact O-N 2.66Å; D375-Q379 VanDerWaalsContact O-N 3.1Å; E376-Q379 PolarHBondContact O-N 2.91Å; Q377-Q379 VanDerWaalsContact C-N 3.31Å; Q377-Q379 PolarHBondContact O-N 3.11Å; Q379-V381 VanDerWaalsContact C-N 3.31Å; Q379-V381 PolarHBondContact O-N 3.29Å; Q379-K382 WeakPolarHBondContact O-CB 3.38Å; Q379-K382 PolarHBondContact O-N 3.23Å; Q379-K382 VanDerWaalsContact O-N 3.11Å; Q379-D383 PolarHBondContact O-N 3.38Å
380Q90.8Very high90.5Very high103 Ų10348.9 Ų48.948%0.48124%0.237SC..Hα-helixtrans-58.9-42.5175.4-175.860.958.200111.8E376 Q377 K382 D383 D384E376-Q380 PolarHBondContact O-N 2.85Å; Q377-Q380 PolarHBondContact O-N 3.19Å; Q380-K382 VanDerWaalsContact C-N 3.33Å; Q380-K382 PolarHBondContact O-N 3.02Å; Q380-D383 PolarHBondContact O-N 3.27Å; Q380-D384 PolarHBondContact NE2-OD1 2.9Å; Q380-D384 PolarHBondContact O-N 3.14Å
381V92.8Very high90.5Very high11 Ų1155.7 Ų55.77%0.06727%0.265CS..Hα-helixtrans-64.1-37.6176.5173.20000111.5Q377 Q378 Q379 D383 D384 I385 L403 W470Q377-V381 WeakPolarHBondContact O-CG2 3.16Å; Q377-V381 PolarHBondContact O-N 3.47Å; Q378-V381 PolarHBondContact O-N 2.91Å; Q379-V381 VanDerWaalsContact C-N 3.31Å; Q379-V381 PolarHBondContact O-N 3.29Å; V381-D383 VanDerWaalsContact C-N 3.34Å; V381-D384 PolarHBondContact O-N 3.34Å; V381-I385 HydrophobicContact CG1-CD1 3.88Å; V381-I385 HydrophobicContact CG1-CG1 4.41Å; V381-I385 WeakPolarHBondContact O-CB 3.39Å; V381-I385 VanDerWaalsContact O-CG1 3.3Å; V381-I385 WeakPolarHBondContact O-CG1 3.43Å; V381-I385 PolarHBondContact O-N 2.9Å; V381-L403 HydrophobicContact CG1-CB 3.92Å; V381-W470 HydrophobicContact CB-CH2 3.96Å; V381-W470 HydrophobicContact CG1-CH2 3.7Å; V381-W470 HydrophobicContact CG1-CZ2 4.03Å
382K92Very high90.5Very high15 Ų1559.1 Ų59.17%0.06528%0.284CS..Hα-helixtrans-60.9-43.8174.1-66.6-175.8-179.2179.60111.4Q378 Q379 Q380 I385 A386 W470 Y473 E726Q378-K382 WeakPolarHBondContact O-CG 3.49Å; Q378-K382 PolarHBondContact O-N 3.33Å; Q379-K382 WeakPolarHBondContact O-CB 3.38Å; Q379-K382 PolarHBondContact O-N 3.23Å; Q379-K382 VanDerWaalsContact O-N 3.11Å; Q380-K382 VanDerWaalsContact C-N 3.33Å; Q380-K382 PolarHBondContact O-N 3.02Å; K382-I385 PolarHBondContact O-N 3.02Å; K382-A386 PolarHBondContact O-N 3.22Å; K382-W470 HydrophobicContact CG-CH2 4.33Å; K382-W470 HydrophobicContact CG-CZ3 3.93Å; K382-Y473 WeakPolarHBondContact CA-OH 3.27Å; K382-Y473 HydrophobicContact CB-CE1 4.33Å; K382-Y473 HydrophobicContact CB-CE2 4.08Å; K382-Y473 HydrophobicContact CD-CD2 3.82Å; K382-Y473 HydrophobicContact CD-CE2 3.8Å; K382-Y473 HydrophobicContact CD-CG 4.19Å; K382-Y473 HydrophobicContact CG-CD1 4.02Å; K382-Y473 HydrophobicContact CG-CD2 4.03Å; K382-Y473 HydrophobicContact CG-CE1 3.69Å; K382-Y473 HydrophobicContact CG-CE2 3.68Å; K382-Y473 HydrophobicContact CG-CG 4.2Å; K382-Y473 PolarHBondContact O-OH 3.37Å; K382-E726 IonicContact NZ-OE1 3.31Å; K382-E726 PolarHBondContact NZ-OE1 3.19Å
383D89.6Confident90.5Very high71 Ų7153.3 Ų53.338%0.3826%0.262SS..Hα-helixtrans-65.5-42.4177.1-74.1-19.5000111.8Q379 Q380 V381 I385 A386 Q387Q379-D383 PolarHBondContact O-N 3.38Å; Q380-D383 PolarHBondContact O-N 3.27Å; V381-D383 VanDerWaalsContact C-N 3.34Å; D383-I385 PolarHBondContact O-N 2.98Å; D383-A386 PolarHBondContact O-N 3.09Å; D383-Q387 WeakPolarHBondContact O-CG 3.31Å; D383-Q387 PolarHBondContact O-N 2.88Å
384D92.2Very high90.7Very high56 Ų5658.1 Ų58.130%0.29928%0.278SS..Hα-helixtrans-61.8-44.3177-68.6-15.7000111.1Q380 V381 A386 Q387 L388 L403Q380-D384 PolarHBondContact NE2-OD1 2.9Å; Q380-D384 PolarHBondContact O-N 3.14Å; V381-D384 PolarHBondContact O-N 3.34Å; D384-A386 PolarHBondContact O-N 3.43Å; D384-Q387 PolarHBondContact O-N 3.2Å; D384-L388 VanDerWaalsContact O-CB 3.28Å; D384-L388 WeakPolarHBondContact O-CB 3.47Å; D384-L388 WeakPolarHBondContact O-CG 3.49Å; D384-L388 PolarHBondContact O-N 2.8Å; D384-L403 HydrophobicContact CB-CD1 4.33Å
385I93.2Very high90.7Very high0 Ų061.5 Ų61.50%031%0.306CS..Hα-helixtrans-60-46.2174.8-72.7167.1000110.8V381 K382 D383 Q387 L388 L389 C400 L403 L404 Y473 V477 L723V381-I385 HydrophobicContact CG1-CD1 3.88Å; V381-I385 HydrophobicContact CG1-CG1 4.41Å; V381-I385 WeakPolarHBondContact O-CB 3.39Å; V381-I385 VanDerWaalsContact O-CG1 3.3Å; V381-I385 WeakPolarHBondContact O-CG1 3.43Å; V381-I385 PolarHBondContact O-N 2.9Å; K382-I385 PolarHBondContact O-N 3.02Å; D383-I385 PolarHBondContact O-N 2.98Å; I385-Q387 PolarHBondContact O-N 3.23Å; I385-L388 PolarHBondContact O-N 2.89Å; I385-L389 HydrophobicContact CG2-CD1 4.06Å; I385-L389 WeakPolarHBondContact O-CB 3.4Å; I385-L389 WeakPolarHBondContact O-CG 3.46Å; I385-L389 PolarHBondContact O-N 2.88Å; I385-C400 HydrophobicContact CG1-CB 4.25Å; I385-C400 HydrophobicContact CG2-CB 4.21Å; I385-L403 HydrophobicContact CD1-CB 4.32Å; I385-L403 HydrophobicContact CG1-CB 4.31Å; I385-L403 HydrophobicContact CG1-CD1 4.04Å; I385-L404 HydrophobicContact CD1-CD2 3.78Å; I385-L404 HydrophobicContact CD1-CG 3.76Å; I385-Y473 HydrophobicContact CD1-CE1 3.96Å; I385-V477 HydrophobicContact CG2-CG1 4.31Å; I385-V477 HydrophobicContact CG2-CG2 4.31Å; I385-L723 HydrophobicContact CG2-CD1 4.24Å
386A89.9Confident90.8Very high14 Ų1459.7 Ų59.712%0.11630%0.297CS..Hα-helixtrans-61.9-43.8178.300000111.8K382 D383 D384 N390K382-A386 PolarHBondContact O-N 3.22Å; D383-A386 PolarHBondContact O-N 3.09Å; D384-A386 PolarHBondContact O-N 3.43Å; A386-N390 WeakPolarHBondContact O-CB 3.31Å; A386-N390 PolarHBondContact O-N 3.29Å
387Q90.8Very high91Very high107 Ų10758 Ų5850%0.529%0.29SS..Hα-helixtrans-67.5-41.6177.7-71.8-171.323.500112.9D383 D384 I385 N390 K391D383-Q387 WeakPolarHBondContact O-CG 3.31Å; D383-Q387 PolarHBondContact O-N 2.88Å; D384-Q387 PolarHBondContact O-N 3.2Å; I385-Q387 PolarHBondContact O-N 3.23Å; Q387-N390 PolarHBondContact O-N 3.28Å; Q387-K391 WeakPolarHBondContact O-CG 3.25Å; Q387-K391 PolarHBondContact O-N 2.89Å
388L93.1Very high91.2Very high49 Ų4958.1 Ų58.126%0.25730%0.299SS..Hα-helixtrans-60.4-49.4176.9-77.7171.3000110.9D384 I385 N390 K391 D392 A396 L403D384-L388 VanDerWaalsContact O-CB 3.28Å; D384-L388 WeakPolarHBondContact O-CB 3.47Å; D384-L388 WeakPolarHBondContact O-CG 3.49Å; D384-L388 PolarHBondContact O-N 2.8Å; I385-L388 PolarHBondContact O-N 2.89Å; L388-N390 VanDerWaalsContact C-N 3.28Å; L388-N390 PolarHBondContact O-N 3.02Å; L388-K391 PolarHBondContact O-N 2.76Å; L388-D392 PolarHBondContact O-N 2.88Å; L388-A396 VanDerWaalsContact C-CB 3.49Å; L388-A396 HydrophobicContact CB-CB 3.85Å; L388-A396 WeakPolarHBondContact O-CB 3.28Å; L388-L403 HydrophobicContact CD1-CD1 3.72Å
389L91.3Very high91.4Very high0 Ų059.9 Ų59.90%031%0.313CS..Hα-helixtrans-64.5-33.9176.7-68.6176.2000111.8I385 W393 A396 F480 I485 L723I385-L389 HydrophobicContact CG2-CD1 4.06Å; I385-L389 WeakPolarHBondContact O-CB 3.4Å; I385-L389 WeakPolarHBondContact O-CG 3.46Å; I385-L389 PolarHBondContact O-N 2.88Å; L389-W393 WeakPolarHBondContact O-CA 3.3Å; L389-W393 PolarHBondContact O-N 3.45Å; L389-A396 HydrophobicContact CD2-CB 3.96Å; L389-F480 HydrophobicContact CD1-CD1 4.14Å; L389-F480 HydrophobicContact CD1-CE1 4.19Å; L389-I485 HydrophobicContact CD2-CD1 3.66Å; L389-L723 HydrophobicContact CD1-CD1 3.35Å
390N88.1Confident91.6Very high82 Ų8254.8 Ų54.844%0.43929%0.289SS..Hα-helixtrans-68.9-34.9176.4-165.533.5000113.3A386 Q387 L388 R491 P720A386-N390 WeakPolarHBondContact O-CB 3.31Å; A386-N390 PolarHBondContact O-N 3.29Å; Q387-N390 PolarHBondContact O-N 3.28Å; L388-N390 VanDerWaalsContact C-N 3.28Å; L388-N390 PolarHBondContact O-N 3.02Å; N390-R491 PolarHBondContact O-NH1 2.87Å; N390-R491 PolarHBondContact OD1-NH1 2.78Å; N390-R491 PolarHBondContact OD1-NH2 2.95Å; N390-P720 HydrophobicContact CB-CB 4.23Å; N390-P720 HydrophobicContact CB-CG 3.88Å
391K88.9Confident91.9Very high156 Ų15654.2 Ų54.268%0.67829%0.287SS*.Hα-helixtrans-82.2-52.4-180-72.3178.1-178.4169.70112.5Q387 L388Q387-K391 WeakPolarHBondContact O-CG 3.25Å; Q387-K391 PolarHBondContact O-N 2.89Å; L388-K391 PolarHBondContact O-N 2.76Å
392D89.1Confident92Very high92 Ų9259 Ų5949%0.49231%0.311SS..Hα-helixtrans-110.4-6.5-166.2-63-47.5000113.5L388 R394 A395 A396L388-D392 PolarHBondContact O-N 2.88Å; D392-R394 PolarHBondContact O-N 3.3Å; D392-A395 HydrophobicContact CB-CB 4.16Å; D392-A395 WeakPolarHBondContact O-CB 3.43Å; D392-A395 PolarHBondContact O-N 3.44Å; D392-A396 HydrophobicContact CB-CB 4Å
393W89.1Confident92.2Very high14 Ų1460.2 Ų60.25%0.05332%0.318CS..G310 helixtrans49.2-111.9176.3-164.3-112.8000112L389 A395 A396 F480 A484 I485 D488 R491 L718 P720L389-W393 WeakPolarHBondContact O-CA 3.3Å; L389-W393 PolarHBondContact O-N 3.45Å; W393-A395 VanDerWaalsContact C-N 3.26Å; W393-A395 PolarHBondContact O-N 3.35Å; W393-A396 PolarHBondContact O-N 2.79Å; W393-F480 HydrophobicContact CH2-CE1 4.32Å; W393-F480 HydrophobicContact CH2-CZ 4.03Å; W393-F480 HydrophobicContact CZ3-CE1 4.22Å; W393-F480 HydrophobicContact CZ3-CZ 4.04Å; W393-A484 HydrophobicContact CH2-CB 4.26Å; W393-I485 HydrophobicContact CD2-CG1 4.03Å; W393-I485 HydrophobicContact CE3-CG1 4.35Å; W393-I485 HydrophobicContact CH2-CG1 4.04Å; W393-I485 HydrophobicContact CZ2-CB 4.27Å; W393-I485 HydrophobicContact CZ2-CG1 3.7Å; W393-I485 HydrophobicContact CZ3-CG1 4.35Å; W393-D488 PolarHBondContact NE1-O 3.35Å; W393-R491 HydrophobicContact CD2-CB 4.22Å; W393-R491 HydrophobicContact CD2-CG 4.1Å; W393-R491 HydrophobicContact CE3-CG 4.32Å; W393-R491 HydrophobicContact CG-CB 4.23Å; W393-R491 HydrophobicContact CH2-CG 4.5Å; W393-R491 HydrophobicContact CZ2-CG 4.25Å; W393-L718 WeakPolarHBondContact CH2-O 3.45Å; W393-P720 HydrophobicContact CZ3-CG 4.17Å
394R90.9Very high92.5Very high143 Ų14356.9 Ų56.954%0.5430%0.3SS..G310 helixtrans-61.1-31.8179.2-173.3178.4176.9-161.6-4113.3D392 A396 I397 I485D392-R394 PolarHBondContact O-N 3.3Å; R394-A396 VanDerWaalsContact C-N 3.26Å; R394-A396 PolarHBondContact O-N 3.41Å; R394-I397 HydrophobicContact CG-CD1 4.03Å; R394-I397 WeakPolarHBondContact O-CG1 3.41Å; R394-I397 PolarHBondContact O-N 3.49Å; R394-I485 HydrophobicContact CB-CG2 4.16Å
395A91.8Very high92.7Very high75 Ų7558.1 Ų58.162%0.6231%0.313SS*.G310 helixtrans-73.8-18.7-17900000112.9D392 W393D392-A395 HydrophobicContact CB-CB 4.16Å; D392-A395 WeakPolarHBondContact O-CB 3.43Å; D392-A395 PolarHBondContact O-N 3.44Å; W393-A395 VanDerWaalsContact C-N 3.26Å; W393-A395 PolarHBondContact O-N 3.35Å
396A93.3Very high92.8Very high1 Ų164 Ų641%0.00834%0.34CS..G310 helixtrans-81.6-13.4177.200000114.3L388 L389 D392 W393 R394 S398 S399 C400L388-A396 VanDerWaalsContact C-CB 3.49Å; L388-A396 HydrophobicContact CB-CB 3.85Å; L388-A396 WeakPolarHBondContact O-CB 3.28Å; L389-A396 HydrophobicContact CD2-CB 3.96Å; D392-A396 HydrophobicContact CB-CB 4Å; W393-A396 PolarHBondContact O-N 2.79Å; R394-A396 VanDerWaalsContact C-N 3.26Å; R394-A396 PolarHBondContact O-N 3.41Å; A396-S398 VanDerWaalsContact C-N 3.34Å; A396-S398 PolarHBondContact O-N 2.85Å; A396-S399 WeakPolarHBondContact O-CB 3.43Å; A396-S399 PolarHBondContact O-N 3.08Å; A396-C400 PolarHBondContact O-N 2.81Å; A396-C400 PolarHBondContact O-SG 2.8Å
397I92.8Very high92.9Very high29 Ų2963.5 Ų63.515%0.14934%0.336CS..Hα-helixtrans-52.2-49.4-173.7-65.7171.5000111.7R394 S399 C400 E401 I481 I485R394-I397 HydrophobicContact CG-CD1 4.03Å; R394-I397 WeakPolarHBondContact O-CG1 3.41Å; R394-I397 PolarHBondContact O-N 3.49Å; I397-S399 VanDerWaalsContact C-N 3.3Å; I397-S399 PolarHBondContact O-N 3.15Å; I397-C400 PolarHBondContact O-N 3.06Å; I397-E401 HydrophobicContact CG2-CG 4.36Å; I397-E401 WeakPolarHBondContact O-CG 3.48Å; I397-E401 PolarHBondContact O-N 2.8Å; I397-I481 HydrophobicContact CD1-CG2 3.93Å; I397-I481 HydrophobicContact CG1-CG2 4.31Å; I397-I481 HydrophobicContact CG2-CD1 4.29Å; I397-I485 HydrophobicContact CD1-CG2 4.13Å
398S94.7Very high93.2Very high81 Ų8160.4 Ų60.457%0.56633%0.327SS*.Hα-helixtrans-64.5-34.5-17956.10000113.1A396 L402A396-S398 VanDerWaalsContact C-N 3.34Å; A396-S398 PolarHBondContact O-N 2.85Å; S398-L402 WeakPolarHBondContact O-CB 3.3Å; S398-L402 PolarHBondContact O-N 2.9Å; S398-L402 VanDerWaalsContact O-N 3.14Å
399S95.6Very high93.2Very high52 Ų5259.6 Ų59.636%0.36433%0.33SS..Hα-helixtrans-71.4-40.1176.9-56.30000110.9A396 I397 L402 L403A396-S399 WeakPolarHBondContact O-CB 3.43Å; A396-S399 PolarHBondContact O-N 3.08Å; I397-S399 VanDerWaalsContact C-N 3.3Å; I397-S399 PolarHBondContact O-N 3.15Å; S399-L402 PolarHBondContact O-N 3.18Å; S399-L403 WeakPolarHBondContact O-CG 3.31Å; S399-L403 PolarHBondContact O-N 3.27Å
400C94.4Very high93.3Very high0 Ų061.2 Ų61.20%034%0.34CS..Hα-helixtrans-65.5-43.6175.9-62.30000111.9I385 A396 I397 L402 L403 L404I385-C400 HydrophobicContact CG1-CB 4.25Å; I385-C400 HydrophobicContact CG2-CB 4.21Å; A396-C400 PolarHBondContact O-N 2.81Å; A396-C400 PolarHBondContact O-SG 2.8Å; I397-C400 PolarHBondContact O-N 3.06Å; C400-L402 VanDerWaalsContact C-N 3.29Å; C400-L402 PolarHBondContact O-N 2.99Å; C400-L403 PolarHBondContact O-N 2.95Å; C400-L404 WeakPolarHBondContact O-CB 3.38Å; C400-L404 VanDerWaalsContact O-CG 3.3Å; C400-L404 WeakPolarHBondContact O-CG 3.35Å; C400-L404 PolarHBondContact O-N 3.23Å
401E95.4Very high93.6Very high91 Ų9157.7 Ų57.743%0.42532%0.321SS..Hα-helixtrans-60.7-38.7175.4-74.1175.9160.600111.8I397 S405I397-E401 HydrophobicContact CG2-CG 4.36Å; I397-E401 WeakPolarHBondContact O-CG 3.48Å; I397-E401 PolarHBondContact O-N 2.8Å; E401-S405 VanDerWaalsContact O-CB 3.32Å; E401-S405 WeakPolarHBondContact O-CB 3.47Å; E401-S405 PolarHBondContact O-N 3.11Å
402L96.6Very high93.9Very high111 Ų11155 Ų5558%0.58131%0.306SS*.Hα-helixtrans-63.9-49.3175.5-177.263.8000111.6S398 S399 C400 L404 S405 E406S398-L402 WeakPolarHBondContact O-CB 3.3Å; S398-L402 PolarHBondContact O-N 2.9Å; S398-L402 VanDerWaalsContact O-N 3.14Å; S399-L402 PolarHBondContact O-N 3.18Å; C400-L402 VanDerWaalsContact C-N 3.29Å; C400-L402 PolarHBondContact O-N 2.99Å; L402-L404 VanDerWaalsContact C-N 3.33Å; L402-L404 PolarHBondContact O-N 3.02Å; L402-S405 PolarHBondContact O-N 3.07Å; L402-E406 WeakPolarHBondContact O-CB 3.43Å; L402-E406 PolarHBondContact O-N 3.01Å
403L95.6Very high94.1Very high41 Ų4155.7 Ų55.722%0.21531%0.307CS..Hα-helixtrans-60.5-41.1178.1-72.4174.1000112.4V381 D384 I385 L388 S399 C400 T407V381-L403 HydrophobicContact CG1-CB 3.92Å; D384-L403 HydrophobicContact CB-CD1 4.33Å; I385-L403 HydrophobicContact CD1-CB 4.32Å; I385-L403 HydrophobicContact CG1-CB 4.31Å; I385-L403 HydrophobicContact CG1-CD1 4.04Å; L388-L403 HydrophobicContact CD1-CD1 3.72Å; S399-L403 WeakPolarHBondContact O-CG 3.31Å; S399-L403 PolarHBondContact O-N 3.27Å; C400-L403 PolarHBondContact O-N 2.95Å; L403-T407 WeakPolarHBondContact O-CB 3.48Å; L403-T407 PolarHBondContact O-N 2.95Å; L403-T407 VanDerWaalsContact O-N 3.15Å; L403-T407 PolarHBondContact O-OG1 3.42Å
404L95.3Very high94.3Very high1 Ų155.8 Ų55.81%0.00531%0.308CS..Hα-helixtrans-63.3-47.2176-76169.8000111.6I385 C400 L402 S408 W470 Y473 D474 V477I385-L404 HydrophobicContact CD1-CD2 3.78Å; I385-L404 HydrophobicContact CD1-CG 3.76Å; C400-L404 WeakPolarHBondContact O-CB 3.38Å; C400-L404 VanDerWaalsContact O-CG 3.3Å; C400-L404 WeakPolarHBondContact O-CG 3.35Å; C400-L404 PolarHBondContact O-N 3.23Å; L402-L404 VanDerWaalsContact C-N 3.33Å; L402-L404 PolarHBondContact O-N 3.02Å; L404-S408 WeakPolarHBondContact O-CB 3.31Å; L404-S408 PolarHBondContact O-N 3.46Å; L404-S408 PolarHBondContact O-OG 2.82Å; L404-W470 HydrophobicContact CD2-CZ2 3.99Å; L404-W470 PolarHBondContact O-NE1 3.39Å; L404-Y473 HydrophobicContact CD2-CD1 3.86Å; L404-Y473 HydrophobicContact CD2-CE1 3.88Å; L404-D474 HydrophobicContact CD2-CB 4.3Å; L404-V477 HydrophobicContact CD1-CB 4.03Å; L404-V477 HydrophobicContact CD1-CG1 3.88Å; L404-V477 HydrophobicContact CD1-CG2 4.41Å; L404-V477 HydrophobicContact CD2-CG2 4.48Å
405S96Very high94.4Very high81 Ų8149.1 Ų49.157%0.56628%0.283SS*.Hα-helixtrans-67.8-41.6-179-175.80000112.4E401 L402 S408 G409E401-S405 VanDerWaalsContact O-CB 3.32Å; E401-S405 WeakPolarHBondContact O-CB 3.47Å; E401-S405 PolarHBondContact O-N 3.11Å; L402-S405 PolarHBondContact O-N 3.07Å; S405-S408 PolarHBondContact O-N 2.82Å; S405-G409 PolarHBondContact O-N 2.95Å
406E95.3Very high94.5Very high123 Ų12349 Ų4958%0.57527%0.272SS*.Hα-helixtrans-64.8-47.5-179.9-173.8172.7178.500111.1L402 S408 G409 T410L402-E406 WeakPolarHBondContact O-CB 3.43Å; L402-E406 PolarHBondContact O-N 3.01Å; E406-S408 VanDerWaalsContact C-N 3.34Å; E406-S408 PolarHBondContact O-N 3.36Å; E406-G409 PolarHBondContact O-N 2.93Å; E406-T410 PolarHBondContact O-N 3.29Å; E406-T410 PolarHBondContact O-OG1 2.94Å
407T94Very high94.5Very high5 Ų550.7 Ų50.73%0.03128%0.282CS..Hα-helixtrans-63.6-40.6176.8-49.80000111.4M374 Q378 L403 G409 T410 L411 W470M374-T407 HydrophobicContact CE-CG2 3.82Å; Q378-T407 HydrophobicContact CG-CG2 3.99Å; L403-T407 WeakPolarHBondContact O-CB 3.48Å; L403-T407 PolarHBondContact O-N 2.95Å; L403-T407 VanDerWaalsContact O-N 3.15Å; L403-T407 PolarHBondContact O-OG1 3.42Å; T407-G409 VanDerWaalsContact C-N 3.33Å; T407-G409 PolarHBondContact O-N 2.99Å; T407-T410 PolarHBondContact O-N 3.39Å; T407-L411 HydrophobicContact CG2-CD1 4.29Å; T407-L411 WeakPolarHBondContact O-CG 3.35Å; T407-L411 PolarHBondContact O-N 3.46Å; T407-W470 VanDerWaalsContact CB-CZ2 3.43Å; T407-W470 HydrophobicContact CG2-CD2 4.14Å; T407-W470 HydrophobicContact CG2-CE3 4.46Å; T407-W470 HydrophobicContact CG2-CH2 3.85Å; T407-W470 HydrophobicContact CG2-CZ2 3.48Å; T407-W470 VanDerWaalsContact CG2-CZ2 3.48Å; T407-W470 HydrophobicContact CG2-CZ3 4.32Å
408S95.4Very high94.6Very high42 Ų4249.5 Ų49.529%0.29428%0.276SS..Hα-helixtrans-60.6-43174.6-60.10000111.9L404 S405 E406 R412 W470L404-S408 WeakPolarHBondContact O-CB 3.31Å; L404-S408 PolarHBondContact O-N 3.46Å; L404-S408 PolarHBondContact O-OG 2.82Å; S405-S408 PolarHBondContact O-N 2.82Å; E406-S408 VanDerWaalsContact C-N 3.34Å; E406-S408 PolarHBondContact O-N 3.36Å; S408-R412 WeakPolarHBondContact O-CB 3.33Å; S408-R412 PolarHBondContact O-N 3.09Å; S408-W470 PolarHBondContact OG-NE1 2.89Å; S408-W470 VanDerWaalsContact OG-NE1 3.13Å
409G94.6Very high94.5Very high31 Ų3149.3 Ų49.332%0.3227%0.266SS..Hα-helixtrans-61.6-47.917600000112S405 E406 T407 L411 R412 E413S405-G409 PolarHBondContact O-N 2.95Å; E406-G409 PolarHBondContact O-N 2.93Å; T407-G409 VanDerWaalsContact C-N 3.33Å; T407-G409 PolarHBondContact O-N 2.99Å; G409-L411 PolarHBondContact O-N 3.03Å; G409-R412 PolarHBondContact O-N 3.42Å; G409-E413 WeakPolarHBondContact O-CG 3.23Å; G409-E413 PolarHBondContact O-N 3.38Å
410T93Very high94.4Very high35 Ų3550.3 Ų50.322%0.21528%0.277CS..Hα-helixtrans-60.2-48177.8-59.90000111.9M374 E406 T407 R412 E413 L414M374-T410 HydrophobicContact CE-CG2 3.78Å; M374-T410 HydrophobicContact SD-CG2 4.13Å; E406-T410 PolarHBondContact O-N 3.29Å; E406-T410 PolarHBondContact O-OG1 2.94Å; T407-T410 PolarHBondContact O-N 3.39Å; T410-R412 VanDerWaalsContact C-N 3.3Å; T410-R412 PolarHBondContact O-N 3.3Å; T410-E413 PolarHBondContact O-N 3.09Å; T410-L414 HydrophobicContact CG2-CD1 3.99Å; T410-L414 HydrophobicContact CG2-CG 4.48Å; T410-L414 WeakPolarHBondContact O-CG 3.48Å; T410-L414 PolarHBondContact O-N 3.37Å; T410-L414 VanDerWaalsContact O-N 3.07Å
411L94Very high94.4Very high7 Ų751.1 Ų51.14%0.03728%0.284CS..Hα-helixtrans-59.2-42.2177.7-68.9168.2000111.9M374 Q378 T407 G409 L414 Q415 I467 W470M374-L411 HydrophobicContact CE-CD2 3.56Å; M374-L411 HydrophobicContact CE-CG 3.66Å; M374-L411 HydrophobicContact CG-CD2 3.56Å; M374-L411 HydrophobicContact SD-CD2 4.41Å; Q378-L411 HydrophobicContact CG-CD1 4.4Å; Q378-L411 HydrophobicContact CG-CD2 4.49Å; Q378-L411 VanDerWaalsContact NE2-CD1 3.31Å; T407-L411 HydrophobicContact CG2-CD1 4.29Å; T407-L411 WeakPolarHBondContact O-CG 3.35Å; T407-L411 PolarHBondContact O-N 3.46Å; G409-L411 PolarHBondContact O-N 3.03Å; L411-L414 PolarHBondContact O-N 3.17Å; L411-Q415 WeakPolarHBondContact O-CB 3.42Å; L411-Q415 PolarHBondContact O-N 2.84Å; L411-I467 HydrophobicContact CB-CG1 3.81Å; L411-W470 HydrophobicContact CD1-CB 3.75Å; L411-W470 HydrophobicContact CD1-CD2 4.25Å; L411-W470 HydrophobicContact CD1-CG 3.73Å
412R94.8Very high94.3Very high100 Ų10047 Ų4738%0.37727%0.266SS..Hα-helixtrans-65-47.3178.8-169.770.9-140.6171.56.7111.8S408 G409 T410 L414 Q415 D416 E419S408-R412 WeakPolarHBondContact O-CB 3.33Å; S408-R412 PolarHBondContact O-N 3.09Å; G409-R412 PolarHBondContact O-N 3.42Å; T410-R412 VanDerWaalsContact C-N 3.3Å; T410-R412 PolarHBondContact O-N 3.3Å; R412-L414 VanDerWaalsContact C-N 3.28Å; R412-L414 PolarHBondContact O-N 3.34Å; R412-Q415 PolarHBondContact O-N 2.86Å; R412-D416 IonicContact CZ-OD1 3.93Å; R412-D416 IonicContact NE-OD1 2.89Å; R412-D416 PolarHBondContact NE-OD1 3.37Å; R412-D416 IonicContact NE-OD2 3.74Å; R412-D416 IonicContact NH2-OD1 2.76Å; R412-D416 PolarHBondContact NH2-OD1 3.12Å; R412-D416 WeakPolarHBondContact O-CB 3.47Å; R412-D416 PolarHBondContact O-N 3.48Å; R412-E419 IonicContact NH2-OE2 2.75Å
413E93.5Very high94.2Very high107 Ų10748.2 Ų48.250%0.527%0.273SS..Hα-helixtrans-59.9-38.7178.4-72.7-178.7-168.200112.3T318 G409 T410 T417T318-E413 HydrophobicContact CG2-CB 3.81Å; G409-E413 WeakPolarHBondContact O-CG 3.23Å; G409-E413 PolarHBondContact O-N 3.38Å; T410-E413 PolarHBondContact O-N 3.09Å; E413-T417 WeakPolarHBondContact O-CB 3.36Å; E413-T417 PolarHBondContact O-N 3.01Å; E413-T417 VanDerWaalsContact O-N 3.09Å; E413-T417 PolarHBondContact O-OG1 3.1Å
414L92.5Very high94.1Very high16 Ų1653.3 Ų53.38%0.08429%0.294CS..Hα-helixtrans-67.3-45.8176.8-66.4170.3000112.3F316 T318 L321 M374 T410 L411 R412 T417 L418F316-L414 HydrophobicContact CD1-CD1 3.78Å; F316-L414 HydrophobicContact CD1-CD2 3.91Å; F316-L414 HydrophobicContact CD1-CG 4.37Å; F316-L414 HydrophobicContact CE1-CD1 3.09Å; F316-L414 HydrophobicContact CE1-CD2 3.36Å; F316-L414 HydrophobicContact CE1-CG 3.79Å; F316-L414 HydrophobicContact CZ-CD1 3.52Å; F316-L414 HydrophobicContact CZ-CD2 4.41Å; T318-L414 HydrophobicContact CG2-CD2 3.81Å; T318-L414 HydrophobicContact CG2-CG 4.34Å; L321-L414 HydrophobicContact CD2-CB 4.37Å; L321-L414 HydrophobicContact CD2-CD2 3.61Å; M374-L414 HydrophobicContact CG-CD1 4.43Å; M374-L414 HydrophobicContact SD-CD1 4.46Å; T410-L414 HydrophobicContact CG2-CD1 3.99Å; T410-L414 HydrophobicContact CG2-CG 4.48Å; T410-L414 WeakPolarHBondContact O-CG 3.48Å; T410-L414 PolarHBondContact O-N 3.37Å; T410-L414 VanDerWaalsContact O-N 3.07Å; L411-L414 PolarHBondContact O-N 3.17Å; R412-L414 VanDerWaalsContact C-N 3.28Å; R412-L414 PolarHBondContact O-N 3.34Å; L414-T417 PolarHBondContact O-N 3.23Å; L414-L418 WeakPolarHBondContact O-CG 3.3Å; L414-L418 PolarHBondContact O-N 2.84Å
415Q93.7Very high94.2Very high3 Ų353.3 Ų53.31%0.01429%0.294CS..Hα-helixtrans-65.2-43.4178.6-174.264.19.600111.4L411 R412 T417 L418 E419 I460 G463 I467L411-Q415 WeakPolarHBondContact O-CB 3.42Å; L411-Q415 PolarHBondContact O-N 2.84Å; R412-Q415 PolarHBondContact O-N 2.86Å; Q415-T417 VanDerWaalsContact C-N 3.25Å; Q415-T417 PolarHBondContact O-N 2.91Å; Q415-L418 PolarHBondContact O-N 3.35Å; Q415-L418 VanDerWaalsContact O-N 3.15Å; Q415-E419 HydrophobicContact CG-CG 4.32Å; Q415-E419 WeakPolarHBondContact CG-OE1 3.49Å; Q415-E419 PolarHBondContact NE2-OE1 2.87Å; Q415-E419 WeakPolarHBondContact O-CB 3.27Å; Q415-E419 WeakPolarHBondContact O-CG 3.44Å; Q415-E419 PolarHBondContact O-N 2.9Å; Q415-I460 PolarHBondContact NE2-O 3.21Å; Q415-I460 VanDerWaalsContact NE2-O 3.11Å; Q415-G463 VanDerWaalsContact OE1-C 3.24Å; Q415-I467 HydrophobicContact CB-CD1 3.57Å; Q415-I467 HydrophobicContact CG-CD1 3.87Å
416D94.5Very high94.2Very high73 Ų7351.9 Ų51.939%0.3928%0.278SS..Hα-helixtrans-59.5-39.3176.1-70.6-15.7000111.1R412 A420R412-D416 IonicContact CZ-OD1 3.93Å; R412-D416 IonicContact NE-OD1 2.89Å; R412-D416 PolarHBondContact NE-OD1 3.37Å; R412-D416 IonicContact NE-OD2 3.74Å; R412-D416 IonicContact NH2-OD1 2.76Å; R412-D416 PolarHBondContact NH2-OD1 3.12Å; R412-D416 WeakPolarHBondContact O-CB 3.47Å; R412-D416 PolarHBondContact O-N 3.48Å; D416-A420 WeakPolarHBondContact O-CB 3.37Å; D416-A420 PolarHBondContact O-N 3.13Å
417T93.7Very high94.3Very high36 Ų3648.5 Ų48.522%0.22127%0.271CS..Hα-helixtrans-67.3-40.9177-55.10000111.8L321 L325 E413 L414 Q415 A421L321-T417 HydrophobicContact CD2-CG2 4.19Å; L321-T417 HydrophobicContact CG-CG2 4.18Å; L325-T417 HydrophobicContact CD1-CG2 3.77Å; E413-T417 WeakPolarHBondContact O-CB 3.36Å; E413-T417 PolarHBondContact O-N 3.01Å; E413-T417 VanDerWaalsContact O-N 3.09Å; E413-T417 PolarHBondContact O-OG1 3.1Å; L414-T417 PolarHBondContact O-N 3.23Å; Q415-T417 VanDerWaalsContact C-N 3.25Å; Q415-T417 PolarHBondContact O-N 2.91Å; T417-A421 PolarHBondContact O-N 3.43Å
418L93.9Very high94.4Very high4 Ų449.4 Ų49.42%0.02128%0.275CS..Hα-helixtrans-66.1-48.2176.3-75.6168.8000111.7L321 L325 I367 L414 Q415 A420 A421 G422 I459 I460L321-L418 HydrophobicContact CD1-CD2 4.2Å; L321-L418 HydrophobicContact CD2-CD2 4.49Å; L321-L418 HydrophobicContact CD2-CG 4.18Å; L325-L418 HydrophobicContact CD1-CD2 4.36Å; L325-L418 HydrophobicContact CD2-CD2 4.45Å; I367-L418 HydrophobicContact CG2-CD2 4.02Å; L414-L418 WeakPolarHBondContact O-CG 3.3Å; L414-L418 PolarHBondContact O-N 2.84Å; Q415-L418 PolarHBondContact O-N 3.35Å; Q415-L418 VanDerWaalsContact O-N 3.15Å; L418-A420 PolarHBondContact O-N 3.17Å; L418-A421 PolarHBondContact O-N 3.07Å; L418-G422 WeakPolarHBondContact O-CA 3.34Å; L418-G422 PolarHBondContact O-N 3.2Å; L418-I459 HydrophobicContact CD1-CG2 4.04Å; L418-I459 HydrophobicContact CD2-CG2 3.82Å; L418-I460 HydrophobicContact CB-CG1 4.47Å
419E93.5Very high94.5Very high77 Ų7747.4 Ų47.436%0.3626%0.261SS..Hα-helixtrans-62.8-42.1179.3-73.4176.4-177.800111.6R412 Q415 A421 G422 I460R412-E419 IonicContact NH2-OE2 2.75Å; Q415-E419 HydrophobicContact CG-CG 4.32Å; Q415-E419 WeakPolarHBondContact CG-OE1 3.49Å; Q415-E419 PolarHBondContact NE2-OE1 2.87Å; Q415-E419 WeakPolarHBondContact O-CB 3.27Å; Q415-E419 WeakPolarHBondContact O-CG 3.44Å; Q415-E419 PolarHBondContact O-N 2.9Å; E419-A421 PolarHBondContact O-N 3.44Å; E419-G422 PolarHBondContact O-N 2.85Å; E419-I460 HydrophobicContact CG-CG2 4.4Å
420A93.6Very high94.6Very high72 Ų7249.8 Ų49.860%0.59527%0.267SS*.Hα-helixtrans-62.5-26.3179.200000113.9D416 L418D416-A420 WeakPolarHBondContact O-CB 3.37Å; D416-A420 PolarHBondContact O-N 3.13Å; L418-A420 PolarHBondContact O-N 3.17Å
421A94.3Very high94.8Very high18 Ų1851.2 Ų51.215%0.14927%0.268CS..Hα-helixtrans-97.7-31.1176.400000112.9L325 T417 L418 E419 D423 K424 L425L325-A421 HydrophobicContact CB-CB 4.19Å; L325-A421 HydrophobicContact CD1-CB 4.02Å; L325-A421 HydrophobicContact CD2-CB 4.06Å; L325-A421 HydrophobicContact CG-CB 4.32Å; T417-A421 PolarHBondContact O-N 3.43Å; L418-A421 PolarHBondContact O-N 3.07Å; E419-A421 PolarHBondContact O-N 3.44Å; A421-D423 PolarHBondContact O-N 3.43Å; A421-K424 PolarHBondContact O-N 2.87Å; A421-K424 VanDerWaalsContact O-N 3.1Å; A421-L425 HydrophobicContact CB-CD1 4.47Å; A421-L425 WeakPolarHBondContact O-CG 3.46Å; A421-L425 PolarHBondContact O-N 2.8Å
422G93.5Very high94.9Very high3 Ų350.9 Ų50.93%0.03127%0.266CS..Hα-helixtrans-50.5-55.4-169.800000113.4L418 E419 K424 L425 Q426L418-G422 WeakPolarHBondContact O-CA 3.34Å; L418-G422 PolarHBondContact O-N 3.2Å; E419-G422 PolarHBondContact O-N 2.85Å; G422-K424 VanDerWaalsContact C-N 3.29Å; G422-K424 PolarHBondContact O-N 3.38Å; G422-L425 PolarHBondContact O-N 2.89Å; G422-L425 VanDerWaalsContact O-N 3.14Å; G422-Q426 WeakPolarHBondContact O-CB 3.43Å; G422-Q426 PolarHBondContact O-N 3.43Å
423D93Very high94.8Very high138 Ų13847.7 Ų47.774%0.73826%0.256SS*.Hα-helixtrans-60-38.2-178.6-71.5-17000112.9A421 A427A421-D423 PolarHBondContact O-N 3.43Å; D423-A427 VanDerWaalsContact O-CB 3.27Å; D423-A427 WeakPolarHBondContact O-CB 3.42Å; D423-A427 PolarHBondContact O-N 3.02Å
424K94.6Very high94.8Very high148 Ų14846.7 Ų46.764%0.64325%0.254SS*.Hα-helixtrans-71.5-36.3179.4-66.9175.5-175.41620111.7A421 G422 N428A421-K424 PolarHBondContact O-N 2.87Å; A421-K424 VanDerWaalsContact O-N 3.1Å; G422-K424 VanDerWaalsContact C-N 3.29Å; G422-K424 PolarHBondContact O-N 3.38Å; K424-N428 PolarHBondContact O-N 3.36Å; K424-N428 PolarHBondContact O-ND2 3.42Å
425L96.8Very high94.9Very high1 Ų146.6 Ų46.61%0.00526%0.255CS..Hα-helixtrans-68.6-47.1174.8-62.7-176.7000109.9L325 V328 A329 L332 F364 A421 G422 A427 N428 L429 L456L325-L425 HydrophobicContact CD2-CD1 3.88Å; V328-L425 HydrophobicContact CG1-CD1 4.14Å; V328-L425 HydrophobicContact CG1-CD2 3.9Å; A329-L425 HydrophobicContact CB-CD2 3.88Å; L332-L425 HydrophobicContact CD2-CB 4Å; L332-L425 HydrophobicContact CD2-CD2 3.85Å; L332-L425 VanDerWaalsContact CD2-O 3.28Å; L332-L425 WeakPolarHBondContact CD2-O 3.45Å; F364-L425 HydrophobicContact CE1-CD1 4.07Å; F364-L425 HydrophobicContact CZ-CD1 4.23Å; A421-L425 HydrophobicContact CB-CD1 4.47Å; A421-L425 WeakPolarHBondContact O-CG 3.46Å; A421-L425 PolarHBondContact O-N 2.8Å; G422-L425 PolarHBondContact O-N 2.89Å; G422-L425 VanDerWaalsContact O-N 3.14Å; L425-A427 VanDerWaalsContact C-N 3.31Å; L425-A427 PolarHBondContact O-N 3.3Å; L425-N428 PolarHBondContact O-N 2.96Å; L425-N428 VanDerWaalsContact O-N 3.14Å; L425-L429 PolarHBondContact O-N 2.76Å; L425-L456 HydrophobicContact CB-CD2 3.79Å; L425-L456 HydrophobicContact CD1-CD1 4.45Å
426Q95.9Very high94.8Very high51 Ų5146.8 Ų46.824%0.23826%0.256CS..Hα-helixtrans-59.4-41.4177.6-163.671.8-11.800112G422 N428 L429 L430 L456G422-Q426 WeakPolarHBondContact O-CB 3.43Å; G422-Q426 PolarHBondContact O-N 3.43Å; Q426-N428 PolarHBondContact O-N 3.09Å; Q426-L429 PolarHBondContact O-N 2.8Å; Q426-L430 WeakPolarHBondContact O-CB 3.41Å; Q426-L430 PolarHBondContact O-N 3.24Å; Q426-L456 HydrophobicContact CB-CD2 4.46Å
427A96.9Very high94.4Very high51 Ų5149.6 Ų49.642%0.42127%0.269SS..Hα-helixtrans-61-40.2176.100000112.9D423 L425 L430 R431D423-A427 VanDerWaalsContact O-CB 3.27Å; D423-A427 WeakPolarHBondContact O-CB 3.42Å; D423-A427 PolarHBondContact O-N 3.02Å; L425-A427 VanDerWaalsContact C-N 3.31Å; L425-A427 PolarHBondContact O-N 3.3Å; A427-L430 PolarHBondContact O-N 3.06Å; A427-R431 WeakPolarHBondContact O-CG 3.18Å; A427-R431 PolarHBondContact O-N 3.13Å
428N97.2Very high93.8Very high24 Ų2453 Ų5313%0.12829%0.29CS..Hα-helixtrans-73.5-34.3176.6-72.1-51.1000112.6L332 A336 K424 L425 Q426 L430 R431 I432L332-N428 HydrophobicContact CD2-CB 3.86Å; L332-N428 HydrophobicContact CG-CB 3.68Å; A336-N428 HydrophobicContact CB-CB 4.14Å; K424-N428 PolarHBondContact O-N 3.36Å; K424-N428 PolarHBondContact O-ND2 3.42Å; L425-N428 PolarHBondContact O-N 2.96Å; L425-N428 VanDerWaalsContact O-N 3.14Å; Q426-N428 PolarHBondContact O-N 3.09Å; N428-L430 VanDerWaalsContact C-N 3.31Å; N428-R431 PolarHBondContact O-N 2.67Å; N428-R431 PolarHBondContact OD1-NH1 3.39Å; N428-I432 WeakPolarHBondContact O-CG1 3.49Å; N428-I432 PolarHBondContact O-N 3.37Å
429L97.1Very high93.1Very high0 Ų056.8 Ų56.80%031%0.307CS..Hα-helixtrans-61.7-42.2171.1-74.6166.7000110.9L332 L356 L425 Q426 I432 Q433 V449 L452 Q453L332-L429 HydrophobicContact CD1-CD2 3.7Å; L332-L429 HydrophobicContact CD1-CG 4.03Å; L332-L429 HydrophobicContact CD2-CG 4.07Å; L356-L429 HydrophobicContact CD2-CD2 4.37Å; L425-L429 PolarHBondContact O-N 2.76Å; Q426-L429 PolarHBondContact O-N 2.8Å; L429-I432 PolarHBondContact O-N 3.47Å; L429-Q433 PolarHBondContact O-N 2.98Å; L429-V449 HydrophobicContact CB-CG1 4.15Å; L429-V449 HydrophobicContact CD2-CG1 4.12Å; L429-V449 WeakPolarHBondContact O-CG1 3.41Å; L429-L452 HydrophobicContact CD1-CB 4.24Å; L429-L452 HydrophobicContact CD2-CB 3.91Å; L429-L452 HydrophobicContact CD2-CD1 4.09Å; L429-Q453 HydrophobicContact CB-CG 3.79Å; L429-Q453 HydrophobicContact CD1-CG 3.83Å; L429-Q453 HydrophobicContact CG-CG 4.33Å
430L96.6Very high92.4Very high82 Ų8259.5 Ų59.543%0.42932%0.324SS..Hα-helixtrans-63-41.8176.5-173.264.8000112.1Q426 A427 N428 I432 Q433 D434Q426-L430 WeakPolarHBondContact O-CB 3.41Å; Q426-L430 PolarHBondContact O-N 3.24Å; A427-L430 PolarHBondContact O-N 3.06Å; N428-L430 VanDerWaalsContact C-N 3.31Å; L430-I432 VanDerWaalsContact C-N 3.3Å; L430-I432 PolarHBondContact O-N 3.49Å; L430-Q433 WeakPolarHBondContact O-CB 3.3Å; L430-Q433 PolarHBondContact O-N 3.02Å; L430-Q433 VanDerWaalsContact O-N 3.13Å; L430-D434 PolarHBondContact O-N 2.84Å
431R96.4Very high92Very high64 Ų6463.1 Ų63.124%0.24233%0.333CS..Hα-helixtrans-56.7-42.5173.5-72.5169.266.9-1531.6112.4A336 D337 E340 A427 N428 A435A336-R431 HydrophobicContact CB-CB 4.22Å; D337-R431 IonicContact OD1-CZ 3.92Å; D337-R431 IonicContact OD1-NH1 2.66Å; D337-R431 PolarHBondContact OD1-NH1 3.35Å; D337-R431 VanDerWaalsContact OD1-NH1 3.17Å; D337-R431 IonicContact OD1-NH2 2.96Å; D337-R431 PolarHBondContact OD1-NH2 2.85Å; E340-R431 IonicContact OE1-CZ 3.81Å; E340-R431 IonicContact OE1-NE 3.17Å; E340-R431 PolarHBondContact OE1-NE 3.41Å; E340-R431 IonicContact OE1-NH2 3.43Å; E340-R431 PolarHBondContact OE1-NH2 3.38Å; E340-R431 IonicContact OE2-CZ 3.51Å; E340-R431 IonicContact OE2-NE 2.75Å; E340-R431 IonicContact OE2-NH2 2.64Å; E340-R431 PolarHBondContact OE2-NH2 3.32Å; A427-R431 WeakPolarHBondContact O-CG 3.18Å; A427-R431 PolarHBondContact O-N 3.13Å; N428-R431 PolarHBondContact O-N 2.67Å; N428-R431 PolarHBondContact OD1-NH1 3.39Å; R431-A435 WeakPolarHBondContact O-CB 3.47Å; R431-A435 PolarHBondContact O-N 3.25Å
432I96Very high91.7Very high0 Ų063.1 Ų63.10%033%0.331CS..Hα-helixtrans-67-42.4176.8-60.9164.6000110.2L332 A335 A336 A339 V352 L356 N428 L429 L430 A435 T436 V445 V449L332-I432 HydrophobicContact CD1-CD1 3.87Å; A335-I432 HydrophobicContact CB-CD1 4.05Å; A336-I432 HydrophobicContact CB-CD1 4.21Å; A336-I432 HydrophobicContact CB-CG1 3.83Å; A339-I432 HydrophobicContact CB-CB 4.47Å; A339-I432 HydrophobicContact CB-CG1 4.21Å; A339-I432 HydrophobicContact CB-CG2 4.2Å; V352-I432 HydrophobicContact CG1-CG2 3.82Å; L356-I432 HydrophobicContact CD1-CD1 4.14Å; L356-I432 HydrophobicContact CD1-CG2 4.3Å; L356-I432 HydrophobicContact CD2-CD1 3.95Å; L356-I432 HydrophobicContact CG-CD1 4.47Å; N428-I432 WeakPolarHBondContact O-CG1 3.49Å; N428-I432 PolarHBondContact O-N 3.37Å; L429-I432 PolarHBondContact O-N 3.47Å; L430-I432 VanDerWaalsContact C-N 3.3Å; L430-I432 PolarHBondContact O-N 3.49Å; I432-A435 PolarHBondContact O-N 3.3Å; I432-T436 WeakPolarHBondContact O-CG2 3.34Å; I432-T436 PolarHBondContact O-N 3.18Å; I432-T436 PolarHBondContact O-OG1 3Å; I432-V445 HydrophobicContact CG2-CG1 4.15Å; I432-V449 HydrophobicContact CB-CG2 4.14Å; I432-V449 HydrophobicContact CG2-CG2 3.62Å
433Q94Very high91.4Very high34 Ų3469.3 Ų69.316%0.15936%0.359CS..Hα-helixtrans-59.3-48.3177.3-166.417214.800111.6L429 L430 A435 T436 M437 V449L429-Q433 PolarHBondContact O-N 2.98Å; L430-Q433 WeakPolarHBondContact O-CB 3.3Å; L430-Q433 PolarHBondContact O-N 3.02Å; L430-Q433 VanDerWaalsContact O-N 3.13Å; Q433-A435 VanDerWaalsContact C-N 3.32Å; Q433-A435 PolarHBondContact O-N 3.31Å; Q433-T436 WeakPolarHBondContact CA-OG1 3.31Å; Q433-T436 PolarHBondContact O-N 3.46Å; Q433-T436 VanDerWaalsContact O-N 3.11Å; Q433-T436 PolarHBondContact O-OG1 3.21Å; Q433-M437 HydrophobicContact CG-CE 4.31Å; Q433-M437 WeakPolarHBondContact O-CG 3.1Å; Q433-M437 PolarHBondContact O-N 3.06Å; Q433-V449 HydrophobicContact CB-CG1 4.04Å
434D94.3Very high91.1Very high86 Ų8667 Ų6746%0.4634%0.342SS..Hα-helixtrans-60.2-41.4176.7-70.1-21.9000111.5L430 T436 M437L430-D434 PolarHBondContact O-N 2.84Å; D434-T436 VanDerWaalsContact C-N 3.33Å; D434-T436 PolarHBondContact O-N 2.91Å; D434-M437 PolarHBondContact O-N 2.82Å
435A92.9Very high91Very high13 Ų1359.9 Ų59.911%0.10731%0.311CS..Hα-helixtrans-64.2-36.4175.500000112.3A339 W348 R431 I432 Q433 T438 H439A339-A435 HydrophobicContact CB-CB 3.97Å; W348-A435 HydrophobicContact CH2-CB 4.23Å; R431-A435 WeakPolarHBondContact O-CB 3.47Å; R431-A435 PolarHBondContact O-N 3.25Å; I432-A435 PolarHBondContact O-N 3.3Å; Q433-A435 VanDerWaalsContact C-N 3.32Å; Q433-A435 PolarHBondContact O-N 3.31Å; A435-T438 PolarHBondContact O-N 3.4Å; A435-T438 PolarHBondContact O-OG1 3.4Å; A435-H439 PolarHBondContact O-ND1 3.26Å
436T91.4Very high90.8Very high7 Ų762.6 Ų62.64%0.04333%0.326CS..Hα-helixtrans-72-28.4176.153.50000113.6W348 I432 Q433 D434 T438 H439 L442 V445W348-T436 HydrophobicContact CZ3-CG2 4.16Å; I432-T436 WeakPolarHBondContact O-CG2 3.34Å; I432-T436 PolarHBondContact O-N 3.18Å; I432-T436 PolarHBondContact O-OG1 3Å; Q433-T436 WeakPolarHBondContact CA-OG1 3.31Å; Q433-T436 PolarHBondContact O-N 3.46Å; Q433-T436 VanDerWaalsContact O-N 3.11Å; Q433-T436 PolarHBondContact O-OG1 3.21Å; D434-T436 VanDerWaalsContact C-N 3.33Å; D434-T436 PolarHBondContact O-N 2.91Å; T436-T438 PolarHBondContact O-N 2.88Å; T436-T438 VanDerWaalsContact O-N 3.1Å; T436-H439 CarbonylContact O-C 3.47Å; T436-H439 PolarHBondContact O-N 2.97Å; T436-L442 HydrophobicContact CG2-CB 4.21Å; T436-L442 HydrophobicContact CG2-CD1 4.32Å; T436-V445 HydrophobicContact CG2-CB 3.96Å; T436-V445 HydrophobicContact CG2-CG1 3.77Å
437M86.7Confident90.4Very high132 Ų13267.8 Ų67.865%0.6534%0.343SS*.Hα-helixtrans-61.9-20.2176.7-68.5-164.8-173.700113.5Q433 D434 H439Q433-M437 HydrophobicContact CG-CE 4.31Å; Q433-M437 WeakPolarHBondContact O-CG 3.1Å; Q433-M437 PolarHBondContact O-N 3.06Å; D434-M437 PolarHBondContact O-N 2.82Å; M437-H439 VanDerWaalsContact C-N 3.32Å
438T80.4Confident90.3Very high109 Ų10965.9 Ų65.967%0.66933%0.326SS*.THydrogen-bonded Turntrans-81.6-9.7176.7610000113.7A435 T436A435-T438 PolarHBondContact O-N 3.4Å; A435-T438 PolarHBondContact O-OG1 3.4Å; T436-T438 PolarHBondContact O-N 2.88Å; T436-T438 VanDerWaalsContact O-N 3.1Å
439H81.2Confident90.2Very high82 Ų8264.8 Ų64.838%0.3832%0.32SS..  trans-130.9108.4-175.2-6380.8000111.1A435 T436 M437 D441 L442A435-H439 PolarHBondContact O-ND1 3.26Å; T436-H439 CarbonylContact O-C 3.47Å; T436-H439 PolarHBondContact O-N 2.97Å; M437-H439 VanDerWaalsContact C-N 3.32Å; H439-D441 PolarHBondContact O-N 3.01Å; H439-L442 HydrophobicContact CB-CB 4.46Å; H439-L442 HydrophobicContact CB-CD1 3.6Å; H439-L442 HydrophobicContact CB-CG 3.85Å; H439-L442 PolarHBondContact O-N 2.81Å
440D77.2Confident90Very high135 Ų13570.2 Ų70.272%0.72234%0.344SS*.G310 helixtrans-61.9-27.3-179.1-78.2-32.1000113.4L442 H443D440-L442 VanDerWaalsContact C-N 3.29Å; D440-L442 PolarHBondContact O-N 2.79Å; D440-H443 PolarHBondContact O-CD2 2.9Å; D440-H443 PolarHBondContact O-CE1 3.35Å; D440-H443 PolarHBondContact O-NE2 3.42Å; D440-H443 VanDerWaalsContact O-NE2 3.1Å
441D86.2Confident89.8Confident147 Ų14770.1 Ų70.179%0.78634%0.344SS*.G310 helixtrans-80.4-1.8-173.8-61-34.4000114.6H439H439-D441 PolarHBondContact O-N 3.01Å
442L88Confident89.8Confident18 Ų1867.2 Ų67.29%0.09433%0.333CS..G310 helixtrans-99.924.2-171.6-62.9-179.6000114.9W348 T436 H439 D440 F444 V445 D446W348-L442 HydrophobicContact CB-CD2 4.22Å; W348-L442 HydrophobicContact CD2-CD1 3.49Å; W348-L442 VanDerWaalsContact CD2-CD1 3.49Å; W348-L442 HydrophobicContact CD2-CD2 4.15Å; W348-L442 VanDerWaalsContact CE2-CD1 3.43Å; W348-L442 HydrophobicContact CE3-CD1 3.64Å; W348-L442 HydrophobicContact CG-CD1 4.15Å; W348-L442 HydrophobicContact CG-CD2 3.99Å; W348-L442 HydrophobicContact CH2-CD1 3.7Å; W348-L442 HydrophobicContact CZ2-CD1 3.55Å; W348-L442 HydrophobicContact CZ3-CD1 3.74Å; T436-L442 HydrophobicContact CG2-CB 4.21Å; T436-L442 HydrophobicContact CG2-CD1 4.32Å; H439-L442 HydrophobicContact CB-CB 4.46Å; H439-L442 HydrophobicContact CB-CD1 3.6Å; H439-L442 HydrophobicContact CB-CG 3.85Å; H439-L442 PolarHBondContact O-N 2.81Å; D440-L442 VanDerWaalsContact C-N 3.29Å; D440-L442 PolarHBondContact O-N 2.79Å; L442-F444 HydrophobicContact CD2-CE1 4.1Å; L442-F444 HydrophobicContact CD2-CZ 4.29Å; L442-F444 PolarHBondContact O-N 2.84Å; L442-V445 WeakPolarHBondContact O-CB 3.36Å; L442-V445 PolarHBondContact O-N 3.49Å; L442-D446 PolarHBondContact O-N 3.4Å; L442-D446 VanDerWaalsContact O-N 3.17Å
443H86.8Confident89.8Confident134 Ų13468.1 Ų68.162%0.6234%0.337SS*.Hα-helixtrans-52.4-32.1-178.4-62.8-47.9000114.9D440 V445 R447D440-H443 PolarHBondContact O-CD2 2.9Å; D440-H443 PolarHBondContact O-CE1 3.35Å; D440-H443 PolarHBondContact O-NE2 3.42Å; D440-H443 VanDerWaalsContact O-NE2 3.1Å; H443-V445 VanDerWaalsContact C-N 3.32Å; H443-R447 WeakPolarHBondContact O-CB 3.43Å; H443-R447 PolarHBondContact O-N 3.46Å
444F87.3Confident89.7Confident88 Ų8867.9 Ų67.939%0.38634%0.34SS..Hα-helixtrans-71.2-27.2179.169.2-85.7000113Y353 L442 L448Y353-F444 AromaticContact CD2-CD2 3.4Å; Y353-F444 HydrophobicContact CD2-CD2 3.4Å; Y353-F444 AromaticContact CD2-CE2 3.61Å; Y353-F444 HydrophobicContact CD2-CE2 3.61Å; Y353-F444 AromaticContact CE2-CD2 3.6Å; Y353-F444 HydrophobicContact CE2-CD2 3.6Å; Y353-F444 HydrophobicContact CE2-CE2 4.23Å; Y353-F444 HydrophobicContact CG-CD2 4Å; Y353-F444 AromaticContact CG-CE2 3.76Å; Y353-F444 HydrophobicContact CG-CE2 3.76Å; L442-F444 HydrophobicContact CD2-CE1 4.1Å; L442-F444 HydrophobicContact CD2-CZ 4.29Å; L442-F444 PolarHBondContact O-N 2.84Å; F444-L448 PolarHBondContact O-N 2.92Å
445V92.7Very high89.8Confident0 Ų065.7 Ų65.70%033%0.326CS..Hα-helixtrans-77.6-48.1173.2-175.60000109.5V352 Y353 L356 I432 T436 L442 H443 R447 L448 V449V352-V445 HydrophobicContact CG1-CG1 3.91Å; Y353-V445 HydrophobicContact CD2-CG2 4.34Å; L356-V445 HydrophobicContact CD1-CG1 4.45Å; I432-V445 HydrophobicContact CG2-CG1 4.15Å; T436-V445 HydrophobicContact CG2-CB 3.96Å; T436-V445 HydrophobicContact CG2-CG1 3.77Å; L442-V445 WeakPolarHBondContact O-CB 3.36Å; L442-V445 PolarHBondContact O-N 3.49Å; H443-V445 VanDerWaalsContact C-N 3.32Å; V445-R447 VanDerWaalsContact C-N 3.34Å; V445-R447 PolarHBondContact O-N 2.98Å; V445-L448 WeakPolarHBondContact O-CB 3.22Å; V445-L448 PolarHBondContact O-N 3.26Å; V445-V449 HydrophobicContact CG1-CG2 4.38Å; V445-V449 WeakPolarHBondContact O-CG2 3.16Å; V445-V449 PolarHBondContact O-N 3.31Å
446D91.4Very high89.9Confident58 Ų5865.2 Ų65.231%0.3132%0.322SS..Hα-helixtrans-57.1-46.2179.1-177.239.9000111.5L442 L448 V449 F450L442-D446 PolarHBondContact O-N 3.4Å; L442-D446 VanDerWaalsContact O-N 3.17Å; D446-L448 VanDerWaalsContact C-N 3.34Å; D446-L448 PolarHBondContact O-N 2.79Å; D446-V449 PolarHBondContact O-N 3.34Å; D446-F450 PolarHBondContact O-N 3.49Å
447R89Confident90.1Very high159 Ų15969 Ų6960%0.634%0.341SS*.Hα-helixtrans-60.1-41174.8-173.2176.6-178168.85.6113H443 V445 F450 D451H443-R447 WeakPolarHBondContact O-CB 3.43Å; H443-R447 PolarHBondContact O-N 3.46Å; V445-R447 VanDerWaalsContact C-N 3.34Å; V445-R447 PolarHBondContact O-N 2.98Å; R447-F450 PolarHBondContact O-N 3.1Å; R447-D451 VanDerWaalsContact O-CG 3.29Å; R447-D451 PolarHBondContact O-N 2.75Å
448L93.3Very high90.4Very high12 Ų1270 Ų706%0.06334%0.338CS..Hα-helixtrans-66.6-40.6177.8177.862000111.4Y353 L356 K357 F444 V445 D446 D451 L452Y353-L448 HydrophobicContact CD2-CD2 3.68Å; Y353-L448 HydrophobicContact CE2-CB 4.4Å; Y353-L448 HydrophobicContact CE2-CD2 3.64Å; Y353-L448 HydrophobicContact CG-CD2 4.48Å; L356-L448 HydrophobicContact CB-CD2 3.59Å; L356-L448 HydrophobicContact CB-CG 4.24Å; K357-L448 HydrophobicContact CB-CD2 3.73Å; K357-L448 HydrophobicContact CD-CD1 3.91Å; K357-L448 HydrophobicContact CD-CD2 4.32Å; F444-L448 PolarHBondContact O-N 2.92Å; V445-L448 WeakPolarHBondContact O-CB 3.22Å; V445-L448 PolarHBondContact O-N 3.26Å; D446-L448 VanDerWaalsContact C-N 3.34Å; D446-L448 PolarHBondContact O-N 2.79Å; L448-D451 PolarHBondContact O-N 3.18Å; L448-L452 HydrophobicContact CD1-CD1 4.43Å; L448-L452 HydrophobicContact CD1-CG 4.37Å; L448-L452 HydrophobicContact CG-CD1 4.23Å; L448-L452 WeakPolarHBondContact O-CB 3.27Å; L448-L452 VanDerWaalsContact O-CG 3.26Å; L448-L452 WeakPolarHBondContact O-CG 3.37Å; L448-L452 PolarHBondContact O-N 3.43Å
449V96.3Very high91.1Very high0 Ų064.9 Ų64.90%031%0.306CS..Hα-helixtrans-62.1-45.6175.4172.60000110.5L356 L429 I432 Q433 V445 D446 D451 L452 Q453L356-V449 HydrophobicContact CD1-CG2 3.89Å; L429-V449 HydrophobicContact CB-CG1 4.15Å; L429-V449 HydrophobicContact CD2-CG1 4.12Å; L429-V449 WeakPolarHBondContact O-CG1 3.41Å; I432-V449 HydrophobicContact CB-CG2 4.14Å; I432-V449 HydrophobicContact CG2-CG2 3.62Å; Q433-V449 HydrophobicContact CB-CG1 4.04Å; V445-V449 HydrophobicContact CG1-CG2 4.38Å; V445-V449 WeakPolarHBondContact O-CG2 3.16Å; V445-V449 PolarHBondContact O-N 3.31Å; D446-V449 PolarHBondContact O-N 3.34Å; V449-D451 PolarHBondContact O-N 3.23Å; V449-L452 PolarHBondContact O-N 2.96Å; V449-Q453 HydrophobicContact CG1-CG 4.4Å; V449-Q453 WeakPolarHBondContact O-CG 3.4Å; V449-Q453 PolarHBondContact O-N 3.41Å
450F92.4Very high91.7Very high114 Ų11462.7 Ų62.750%0.530%0.297SS..Hα-helixtrans-58.8-44175.4178.3-95.9000112.7D446 R447 L452 Q453 S454D446-F450 PolarHBondContact O-N 3.49Å; R447-F450 PolarHBondContact O-N 3.1Å; F450-L452 VanDerWaalsContact C-N 3.33Å; F450-L452 PolarHBondContact O-N 3.47Å; F450-Q453 PolarHBondContact O-N 3.39Å; F450-S454 VanDerWaalsContact O-CB 3.31Å; F450-S454 WeakPolarHBondContact O-CB 3.42Å; F450-S454 PolarHBondContact O-N 3Å; F450-S454 PolarHBondContact O-OG 3.01Å
451D91.5Very high92.5Very high80 Ų8060 Ų6043%0.42829%0.289SS..Hα-helixtrans-63.7-39177.2-73.6-20000111.6R447 L448 V449 K455R447-D451 VanDerWaalsContact O-CG 3.29Å; R447-D451 PolarHBondContact O-N 2.75Å; L448-D451 PolarHBondContact O-N 3.18Å; V449-D451 PolarHBondContact O-N 3.23Å; D451-K455 VanDerWaalsContact O-CB 3.31Å; D451-K455 WeakPolarHBondContact O-CB 3.39Å; D451-K455 PolarHBondContact O-N 3.11Å
452L96.8Very high92.8Very high4 Ų457.5 Ų57.52%0.02127%0.269CS..Hα-helixtrans-69.4-43.2177.1-72.2174.8000112.5L356 V360 A361 F364 L429 L448 V449 F450 K455 L456L356-L452 HydrophobicContact CB-CD1 3.97Å; L356-L452 HydrophobicContact CD2-CD1 3.86Å; L356-L452 HydrophobicContact CG-CD1 4.4Å; V360-L452 HydrophobicContact CB-CD1 4.45Å; V360-L452 HydrophobicContact CG1-CD1 4.06Å; V360-L452 HydrophobicContact CG1-CD2 4.13Å; A361-L452 HydrophobicContact CB-CD2 3.89Å; F364-L452 HydrophobicContact CD2-CD2 3.75Å; F364-L452 HydrophobicContact CE2-CB 4.3Å; F364-L452 HydrophobicContact CE2-CD2 4.18Å; L429-L452 HydrophobicContact CD1-CB 4.24Å; L429-L452 HydrophobicContact CD2-CB 3.91Å; L429-L452 HydrophobicContact CD2-CD1 4.09Å; L448-L452 HydrophobicContact CD1-CD1 4.43Å; L448-L452 HydrophobicContact CD1-CG 4.37Å; L448-L452 HydrophobicContact CG-CD1 4.23Å; L448-L452 WeakPolarHBondContact O-CB 3.27Å; L448-L452 VanDerWaalsContact O-CG 3.26Å; L448-L452 WeakPolarHBondContact O-CG 3.37Å; L448-L452 PolarHBondContact O-N 3.43Å; V449-L452 PolarHBondContact O-N 2.96Å; F450-L452 VanDerWaalsContact C-N 3.33Å; F450-L452 PolarHBondContact O-N 3.47Å; L452-K455 PolarHBondContact O-N 2.85Å; L452-L456 WeakPolarHBondContact O-CB 3.26Å; L452-L456 PolarHBondContact O-N 2.99Å
453Q95.9Very high93Very high19 Ų1956.9 Ų56.99%0.08927%0.267CS..Hα-helixtrans-58.7-51.4173-74.2173-34.200110.1L429 V449 F450 K455 L456 D457L429-Q453 HydrophobicContact CB-CG 3.79Å; L429-Q453 HydrophobicContact CD1-CG 3.83Å; L429-Q453 HydrophobicContact CG-CG 4.33Å; V449-Q453 HydrophobicContact CG1-CG 4.4Å; V449-Q453 WeakPolarHBondContact O-CG 3.4Å; V449-Q453 PolarHBondContact O-N 3.41Å; F450-Q453 PolarHBondContact O-N 3.39Å; Q453-K455 PolarHBondContact O-N 3.34Å; Q453-L456 PolarHBondContact O-N 3.34Å; Q453-L456 VanDerWaalsContact O-N 3.17Å; Q453-D457 PolarHBondContact O-N 3.42Å
454S93.2Very high93.3Very high29 Ų2953.3 Ų53.320%0.20325%0.25CS..Hα-helixtrans-58.8-36.1177.7-62.50000112.4F450 R458F450-S454 VanDerWaalsContact O-CB 3.31Å; F450-S454 WeakPolarHBondContact O-CB 3.42Å; F450-S454 PolarHBondContact O-N 3Å; F450-S454 PolarHBondContact O-OG 3.01Å; S454-R458 WeakPolarHBondContact O-CB 3.36Å; S454-R458 VanDerWaalsContact O-CG 3.27Å; S454-R458 WeakPolarHBondContact O-CG 3.33Å; S454-R458 PolarHBondContact O-N 2.96Å; S454-R458 VanDerWaalsContact O-N 3.14Å
455K94.4Very high93.6Very high39 Ų3953.6 Ų53.617%0.1725%0.253CS..Hα-helixtrans-72.3-41.9177.5-171.1161-172.5142.70112.1F364 D365 D451 L452 Q453 R458 I459F364-K455 HydrophobicContact CB-CD 4.13Å; F364-K455 HydrophobicContact CB-CG 4.41Å; D365-K455 VanDerWaalsContact CG-NZ 3.26Å; D365-K455 WeakPolarHBondContact OD1-CE 3.39Å; D365-K455 IonicContact OD1-NZ 3.88Å; D365-K455 PolarHBondContact OD1-NZ 3.36Å; D365-K455 IonicContact OD2-NZ 3.97Å; D451-K455 VanDerWaalsContact O-CB 3.31Å; D451-K455 WeakPolarHBondContact O-CB 3.39Å; D451-K455 PolarHBondContact O-N 3.11Å; L452-K455 PolarHBondContact O-N 2.85Å; Q453-K455 PolarHBondContact O-N 3.34Å; K455-R458 PolarHBondContact O-N 3.02Å; K455-I459 HydrophobicContact CG-CD1 4.08Å; K455-I459 VanDerWaalsContact O-CG1 3.32Å; K455-I459 WeakPolarHBondContact O-CG1 3.39Å; K455-I459 PolarHBondContact O-N 2.86Å
456L95.9Very high93.5Very high4 Ų454 Ų542%0.02126%0.255CS..Hα-helixtrans-61.7-46.1175.7-177.760.8000111.3F364 L425 Q426 L452 Q453 R458 I459 I460F364-L456 HydrophobicContact CE1-CD1 4.36Å; F364-L456 HydrophobicContact CE2-CB 3.96Å; F364-L456 HydrophobicContact CZ-CB 4.21Å; F364-L456 HydrophobicContact CZ-CD1 4.04Å; F364-L456 HydrophobicContact CZ-CD2 4.33Å; F364-L456 HydrophobicContact CZ-CG 4.43Å; L425-L456 HydrophobicContact CB-CD2 3.79Å; L425-L456 HydrophobicContact CD1-CD1 4.45Å; Q426-L456 HydrophobicContact CB-CD2 4.46Å; L452-L456 WeakPolarHBondContact O-CB 3.26Å; L452-L456 PolarHBondContact O-N 2.99Å; Q453-L456 PolarHBondContact O-N 3.34Å; Q453-L456 VanDerWaalsContact O-N 3.17Å; L456-R458 VanDerWaalsContact C-N 3.32Å; L456-R458 PolarHBondContact O-N 3.01Å; L456-I459 PolarHBondContact O-N 3.44Å; L456-I460 HydrophobicContact CD1-CD1 3.93Å; L456-I460 HydrophobicContact CD1-CG1 4.26Å; L456-I460 HydrophobicContact CG-CD1 3.94Å; L456-I460 WeakPolarHBondContact O-CG1 3.32Å; L456-I460 PolarHBondContact O-N 3.06Å
457D94.7Very high93.7Very high85 Ų8552 Ų5246%0.45524%0.244SC..Hα-helixtrans-60.5-41.7177.2-70.2-17.4000111.4Q453 S461Q453-D457 PolarHBondContact O-N 3.42Å; D457-S461 WeakPolarHBondContact O-CB 3.31Å; D457-S461 PolarHBondContact O-N 3.33Å
458R93.4Very high93.8Very high153 Ų15348.5 Ų48.558%0.57724%0.238SC*.Hα-helixtrans-61.3-44.4174.2-78.3-173.4-59.6-109-0112.5S454 K455 L456 W462S454-R458 WeakPolarHBondContact O-CB 3.36Å; S454-R458 VanDerWaalsContact O-CG 3.27Å; S454-R458 WeakPolarHBondContact O-CG 3.33Å; S454-R458 PolarHBondContact O-N 2.96Å; S454-R458 VanDerWaalsContact O-N 3.14Å; K455-R458 PolarHBondContact O-N 3.02Å; L456-R458 VanDerWaalsContact C-N 3.32Å; L456-R458 PolarHBondContact O-N 3.01Å; R458-W462 VanDerWaalsContact O-CB 3.28Å; R458-W462 WeakPolarHBondContact O-CB 3.17Å; R458-W462 PolarHBondContact O-N 3.19Å
459I94.6Very high93.6Very high2 Ų252 Ų521%0.0126%0.256CS..Hα-helixtrans-62.3-49.6179.5-74.2168.1000110.4F364 I367 D368 Q371 L418 K455 L456 G463F364-I459 HydrophobicContact CB-CD1 4.36Å; I367-I459 HydrophobicContact CB-CD1 4.48Å; I367-I459 HydrophobicContact CG2-CD1 4.29Å; I367-I459 HydrophobicContact CG2-CG2 3.83Å; D368-I459 HydrophobicContact CB-CD1 4.22Å; D368-I459 HydrophobicContact CB-CG1 4.24Å; Q371-I459 PolarHBondContact NE2-O 2.94Å; Q371-I459 PolarHBondContact OE1-O 3.33Å; L418-I459 HydrophobicContact CD1-CG2 4.04Å; L418-I459 HydrophobicContact CD2-CG2 3.82Å; K455-I459 HydrophobicContact CG-CD1 4.08Å; K455-I459 VanDerWaalsContact O-CG1 3.32Å; K455-I459 WeakPolarHBondContact O-CG1 3.39Å; K455-I459 PolarHBondContact O-N 2.86Å; L456-I459 PolarHBondContact O-N 3.44Å; I459-G463 PolarHBondContact O-N 3.08Å; I459-G463 VanDerWaalsContact O-N 3.09Å
460I94.3Very high93.5Very high36 Ų3652.1 Ų52.119%0.18526%0.257CS..Hα-helixtrans-66.9-43-179-63.9172.6000110.8Q415 L418 E419 L456 G463 Q464Q415-I460 PolarHBondContact NE2-O 3.21Å; Q415-I460 VanDerWaalsContact NE2-O 3.11Å; L418-I460 HydrophobicContact CB-CG1 4.47Å; E419-I460 HydrophobicContact CG-CG2 4.4Å; L456-I460 HydrophobicContact CD1-CD1 3.93Å; L456-I460 HydrophobicContact CD1-CG1 4.26Å; L456-I460 HydrophobicContact CG-CD1 3.94Å; L456-I460 WeakPolarHBondContact O-CG1 3.32Å; L456-I460 PolarHBondContact O-N 3.06Å; I460-G463 PolarHBondContact O-N 3.35Å; I460-Q464 PolarHBondContact O-N 3.17Å
461S93.6Very high93.5Very high78 Ų7850.3 Ų50.355%0.54525%0.251SS..Hα-helixtrans-65.4-42179.4-177.90000112.4D457 G463 Q464 Q465D457-S461 WeakPolarHBondContact O-CB 3.31Å; D457-S461 PolarHBondContact O-N 3.33Å; S461-G463 VanDerWaalsContact C-N 3.34Å; S461-Q464 PolarHBondContact O-N 3.25Å; S461-Q465 WeakPolarHBondContact O-CB 3.44Å; S461-Q465 PolarHBondContact O-N 2.92Å
462W93.9Very high93.4Very high96 Ų9647.8 Ų47.836%0.36424%0.244SC..Hα-helixtrans-64.6-40.9176.7-179.3-108.7000111.4D375 R458 Q464 Q465 S466D375-W462 PolarHBondContact OD1-NE1 2.88Å; D375-W462 WeakPolarHBondContact OD2-CZ2 3.47Å; D375-W462 PolarHBondContact OD2-NE1 3.06Å; R458-W462 VanDerWaalsContact O-CB 3.28Å; R458-W462 WeakPolarHBondContact O-CB 3.17Å; R458-W462 PolarHBondContact O-N 3.19Å; W462-Q464 PolarHBondContact O-N 3.34Å; W462-Q465 PolarHBondContact O-N 3.17Å; W462-S466 WeakPolarHBondContact O-CB 3.49Å; W462-S466 PolarHBondContact O-N 3.47Å
463G92.6Very high93.1Very high5 Ų547.7 Ų47.75%0.05224%0.244CC..Hα-helixtrans-57.5-46.917700000112.6Q415 I459 I460 S461 S466 I467Q415-G463 VanDerWaalsContact OE1-C 3.24Å; I459-G463 PolarHBondContact O-N 3.08Å; I459-G463 VanDerWaalsContact O-N 3.09Å; I460-G463 PolarHBondContact O-N 3.35Å; S461-G463 VanDerWaalsContact C-N 3.34Å; G463-S466 PolarHBondContact O-N 3.3Å; G463-S466 PolarHBondContact O-OG 3.45Å; G463-I467 PolarHBondContact O-N 3.38Å
464Q92.8Very high93Very high59 Ų5948.7 Ų48.728%0.27625%0.25SC..Hα-helixtrans-66.1-42.2175.3-175.854.852.100112.4I460 S461 W462 S466 I467 D468I460-Q464 PolarHBondContact O-N 3.17Å; S461-Q464 PolarHBondContact O-N 3.25Å; W462-Q464 PolarHBondContact O-N 3.34Å; Q464-S466 VanDerWaalsContact C-N 3.28Å; Q464-S466 PolarHBondContact O-N 2.85Å; Q464-I467 WeakPolarHBondContact O-CB 3.39Å; Q464-I467 PolarHBondContact O-N 2.82Å; Q464-D468 PolarHBondContact NE2-OD1 3.05Å; Q464-D468 VanDerWaalsContact NE2-OD1 3.11Å; Q464-D468 PolarHBondContact O-N 2.96Å; Q464-D468 VanDerWaalsContact O-N 3.14Å
465Q92.1Very high92.8Very high94 Ų9455 Ų5544%0.43927%0.269SS..Hα-helixtrans-60.9-37.8177.4-173.5177.71.900112.1S461 W462 I467 D468 L469S461-Q465 WeakPolarHBondContact O-CB 3.44Å; S461-Q465 PolarHBondContact O-N 2.92Å; W462-Q465 PolarHBondContact O-N 3.17Å; Q465-I467 VanDerWaalsContact C-N 3.33Å; Q465-I467 PolarHBondContact O-N 3.46Å; Q465-D468 PolarHBondContact O-N 3.09Å; Q465-L469 HydrophobicContact CG-CD1 4.27Å; Q465-L469 VanDerWaalsContact O-CG 3.3Å; Q465-L469 WeakPolarHBondContact O-CG 3.46Å; Q465-L469 PolarHBondContact O-N 2.96Å
466S92.3Very high92.5Very high8 Ų854.4 Ų54.46%0.05627%0.267CS..Hα-helixtrans-63.8-36.8177.877.70000112.3W462 G463 Q464 W470W462-S466 WeakPolarHBondContact O-CB 3.49Å; W462-S466 PolarHBondContact O-N 3.47Å; G463-S466 PolarHBondContact O-N 3.3Å; G463-S466 PolarHBondContact O-OG 3.45Å; Q464-S466 VanDerWaalsContact C-N 3.28Å; Q464-S466 PolarHBondContact O-N 2.85Å; S466-W470 WeakPolarHBondContact O-CB 3.48Å; S466-W470 PolarHBondContact O-N 2.91Å
467I94.1Very high92.3Very high16 Ų1654.2 Ų54.28%0.08227%0.266CS..Hα-helixtrans-65.2-47.3173.9-69169.6000110.2L411 Q415 G463 Q464 Q465 L469 W470 I471L411-I467 HydrophobicContact CB-CG1 3.81Å; Q415-I467 HydrophobicContact CB-CD1 3.57Å; Q415-I467 HydrophobicContact CG-CD1 3.87Å; G463-I467 PolarHBondContact O-N 3.38Å; Q464-I467 WeakPolarHBondContact O-CB 3.39Å; Q464-I467 PolarHBondContact O-N 2.82Å; Q465-I467 VanDerWaalsContact C-N 3.33Å; Q465-I467 PolarHBondContact O-N 3.46Å; I467-L469 VanDerWaalsContact C-N 3.33Å; I467-L469 PolarHBondContact O-N 2.95Å; I467-W470 WeakPolarHBondContact O-CB 3.32Å; I467-W470 PolarHBondContact O-N 3.31Å; I467-W470 VanDerWaalsContact O-N 3.12Å; I467-I471 HydrophobicContact CG2-CD1 3.75Å; I467-I471 HydrophobicContact CG2-CG1 4.35Å; I467-I471 WeakPolarHBondContact O-CG1 3.4Å; I467-I471 PolarHBondContact O-N 3.27Å
468D91.4Very high92.2Very high85 Ų8553.3 Ų53.346%0.45526%0.259SS..Hα-helixtrans-63.4-40.1-178.6-64.7-24.4000111.8Q464 Q465 I471 G472Q464-D468 PolarHBondContact NE2-OD1 3.05Å; Q464-D468 VanDerWaalsContact NE2-OD1 3.11Å; Q464-D468 PolarHBondContact O-N 2.96Å; Q464-D468 VanDerWaalsContact O-N 3.14Å; Q465-D468 PolarHBondContact O-N 3.09Å; D468-I471 PolarHBondContact O-N 3Å; D468-G472 PolarHBondContact O-N 3Å
469L89.3Confident91.8Very high86 Ų8648.6 Ų48.645%0.4524%0.242SC..Hα-helixtrans-62.7-42.5172.5-71.3172.8000111.4Q465 I467 G472 Y473Q465-L469 HydrophobicContact CG-CD1 4.27Å; Q465-L469 VanDerWaalsContact O-CG 3.3Å; Q465-L469 WeakPolarHBondContact O-CG 3.46Å; Q465-L469 PolarHBondContact O-N 2.96Å; I467-L469 VanDerWaalsContact C-N 3.33Å; I467-L469 PolarHBondContact O-N 2.95Å; L469-G472 WeakPolarHBondContact O-CA 3.48Å; L469-G472 PolarHBondContact O-N 3.34Å; L469-G472 VanDerWaalsContact O-N 3.15Å; L469-Y473 PolarHBondContact O-N 3.4Å
470W94.1Very high91.6Very high3 Ų348.5 Ų48.51%0.01124%0.242CC..Hα-helixtrans-64.7-41.7176.8-165.5-105.7000112.4Q378 V381 K382 L404 T407 S408 L411 S466 I467 G472 Y473 D474Q378-W470 HydrophobicContact CB-CE3 4.02Å; Q378-W470 HydrophobicContact CB-CZ3 3.68Å; Q378-W470 HydrophobicContact CG-CE3 3.94Å; Q378-W470 HydrophobicContact CG-CZ3 3.98Å; Q378-W470 WeakPolarHBondContact O-CZ3 3.38Å; V381-W470 HydrophobicContact CB-CH2 3.96Å; V381-W470 HydrophobicContact CG1-CH2 3.7Å; V381-W470 HydrophobicContact CG1-CZ2 4.03Å; K382-W470 HydrophobicContact CG-CH2 4.33Å; K382-W470 HydrophobicContact CG-CZ3 3.93Å; L404-W470 HydrophobicContact CD2-CZ2 3.99Å; L404-W470 PolarHBondContact O-NE1 3.39Å; T407-W470 VanDerWaalsContact CB-CZ2 3.43Å; T407-W470 HydrophobicContact CG2-CD2 4.14Å; T407-W470 HydrophobicContact CG2-CE3 4.46Å; T407-W470 HydrophobicContact CG2-CH2 3.85Å; T407-W470 HydrophobicContact CG2-CZ2 3.48Å; T407-W470 VanDerWaalsContact CG2-CZ2 3.48Å; T407-W470 HydrophobicContact CG2-CZ3 4.32Å; S408-W470 PolarHBondContact OG-NE1 2.89Å; S408-W470 VanDerWaalsContact OG-NE1 3.13Å; L411-W470 HydrophobicContact CD1-CB 3.75Å; L411-W470 HydrophobicContact CD1-CD2 4.25Å; L411-W470 HydrophobicContact CD1-CG 3.73Å; S466-W470 WeakPolarHBondContact O-CB 3.48Å; S466-W470 PolarHBondContact O-N 2.91Å; I467-W470 WeakPolarHBondContact O-CB 3.32Å; I467-W470 PolarHBondContact O-N 3.31Å; I467-W470 VanDerWaalsContact O-N 3.12Å; W470-G472 PolarHBondContact O-N 2.98Å; W470-Y473 HydrophobicContact CH2-CD1 4.32Å; W470-Y473 HydrophobicContact CZ3-CD1 4.29Å; W470-Y473 PolarHBondContact O-N 3.15Å; W470-Y473 VanDerWaalsContact O-N 3.11Å; W470-D474 WeakPolarHBondContact O-CB 3.49Å; W470-D474 PolarHBondContact O-N 3.03Å
471I92.2Very high91.4Very high75 Ų7547.4 Ų47.439%0.38524%0.236SC..Hα-helixtrans-62.4-33.9172.7-67166.9000111I467 D468 R475I467-I471 HydrophobicContact CG2-CD1 3.75Å; I467-I471 HydrophobicContact CG2-CG1 4.35Å; I467-I471 WeakPolarHBondContact O-CG1 3.4Å; I467-I471 PolarHBondContact O-N 3.27Å; D468-I471 PolarHBondContact O-N 3Å; I471-R475 WeakPolarHBondContact O-CB 3.28Å; I471-R475 WeakPolarHBondContact O-CG 3.42Å; I471-R475 PolarHBondContact O-N 3.25Å; I471-R475 VanDerWaalsContact O-N 3.13Å; I471-R475 PolarHBondContact O-NE 3.43Å; I471-R475 VanDerWaalsContact O-NE 3.1Å
472G89.5Confident91.1Very high28 Ų2851.3 Ų51.329%0.28924%0.239SC..Hα-helixtrans-60.2-49.5170.200000112.3D468 L469 W470 H476D468-G472 PolarHBondContact O-N 3Å; L469-G472 WeakPolarHBondContact O-CA 3.48Å; L469-G472 PolarHBondContact O-N 3.34Å; L469-G472 VanDerWaalsContact O-N 3.15Å; W470-G472 PolarHBondContact O-N 2.98Å; G472-H476 PolarHBondContact O-N 3.03Å; G472-H476 VanDerWaalsContact O-N 3.14Å
473Y91.6Very high90.5Very high2 Ų247.9 Ų47.91%0.00823%0.229CC..Hα-helixtrans-64.2-46.5177.5-179-101.5000112.4K382 I385 L404 L469 W470 R475 H476 V477 L723 E726K382-Y473 WeakPolarHBondContact CA-OH 3.27Å; K382-Y473 HydrophobicContact CB-CE1 4.33Å; K382-Y473 HydrophobicContact CB-CE2 4.08Å; K382-Y473 HydrophobicContact CD-CD2 3.82Å; K382-Y473 HydrophobicContact CD-CE2 3.8Å; K382-Y473 HydrophobicContact CD-CG 4.19Å; K382-Y473 HydrophobicContact CG-CD1 4.02Å; K382-Y473 HydrophobicContact CG-CD2 4.03Å; K382-Y473 HydrophobicContact CG-CE1 3.69Å; K382-Y473 HydrophobicContact CG-CE2 3.68Å; K382-Y473 HydrophobicContact CG-CG 4.2Å; K382-Y473 PolarHBondContact O-OH 3.37Å; I385-Y473 HydrophobicContact CD1-CE1 3.96Å; L404-Y473 HydrophobicContact CD2-CD1 3.86Å; L404-Y473 HydrophobicContact CD2-CE1 3.88Å; L469-Y473 PolarHBondContact O-N 3.4Å; W470-Y473 HydrophobicContact CH2-CD1 4.32Å; W470-Y473 HydrophobicContact CZ3-CD1 4.29Å; W470-Y473 PolarHBondContact O-N 3.15Å; W470-Y473 VanDerWaalsContact O-N 3.11Å; Y473-R475 PolarHBondContact O-N 3.25Å; Y473-H476 CarbonylContact O-C 3.55Å; Y473-H476 WeakPolarHBondContact O-CA 3.41Å; Y473-H476 WeakPolarHBondContact O-CB 3.36Å; Y473-H476 PolarHBondContact O-N 3.14Å; Y473-V477 HydrophobicContact CD1-CG2 4.01Å; Y473-V477 HydrophobicContact CE1-CG2 3.49Å; Y473-V477 VanDerWaalsContact CE1-CG2 3.49Å; Y473-V477 HydrophobicContact CE2-CG2 4.16Å; Y473-V477 WeakPolarHBondContact O-CG2 3.48Å; Y473-V477 PolarHBondContact O-N 2.76Å; Y473-L723 WeakPolarHBondContact CE2-O 3.44Å; Y473-E726 HydrophobicContact CD2-CG 4.38Å
474D93Very high90.2Very high39 Ų3947.7 Ų47.721%0.20923%0.226CC..Hα-helixtrans-54.4-50.2176.6177.6-84.6000111.8L404 W470 H476 V477 H478L404-D474 HydrophobicContact CD2-CB 4.3Å; W470-D474 WeakPolarHBondContact O-CB 3.49Å; W470-D474 PolarHBondContact O-N 3.03Å; D474-H476 PolarHBondContact O-N 3.03Å; D474-V477 PolarHBondContact O-N 2.89Å; D474-H478 PolarHBondContact O-N 3.04Å; D474-H478 PolarHBondContact O-ND1 3.2Å; D474-H478 IonicContact OD1-CE1 2.61Å; D474-H478 PolarHBondContact OD1-CE1 3.04Å; D474-H478 VanDerWaalsContact OD1-CE1 3.32Å; D474-H478 IonicContact OD1-ND1 3.24Å; D474-H478 PolarHBondContact OD1-ND1 3.21Å; D474-H478 IonicContact OD2-CE1 2.75Å; D474-H478 PolarHBondContact OD2-CE1 2.85Å; D474-H478 VanDerWaalsContact OD2-CE1 3.28Å; D474-H478 IonicContact OD2-ND1 3.76Å
475R89.7Confident89.9Confident162 Ų16244.9 Ų44.961%0.61121%0.214SC*.Hα-helixtrans-59.3-35.9175.6-77.3-178.9-70.9162.1-7.9112.1I471 Y473 K479I471-R475 WeakPolarHBondContact O-CB 3.28Å; I471-R475 WeakPolarHBondContact O-CG 3.42Å; I471-R475 PolarHBondContact O-N 3.25Å; I471-R475 VanDerWaalsContact O-N 3.13Å; I471-R475 PolarHBondContact O-NE 3.43Å; I471-R475 VanDerWaalsContact O-NE 3.1Å; Y473-R475 PolarHBondContact O-N 3.25Å; R475-K479 WeakPolarHBondContact O-CB 3.3Å; R475-K479 PolarHBondContact O-N 2.97Å
476H88.1Confident89.6Confident26 Ų2644 Ų4412%0.1221%0.212CC..Hα-helixtrans-70.6-40.8178.4-172.2-133.7000112.2G472 Y473 D474 K479 F480 R722 G727G472-H476 PolarHBondContact O-N 3.03Å; G472-H476 VanDerWaalsContact O-N 3.14Å; Y473-H476 CarbonylContact O-C 3.55Å; Y473-H476 WeakPolarHBondContact O-CA 3.41Å; Y473-H476 WeakPolarHBondContact O-CB 3.36Å; Y473-H476 PolarHBondContact O-N 3.14Å; D474-H476 PolarHBondContact O-N 3.03Å; H476-K479 PolarHBondContact O-N 3Å; H476-F480 PolarHBondContact O-N 2.87Å; H476-R722 PolarHBondContact CE1-O 3.02Å; H476-R722 VanDerWaalsContact CE1-O 3.27Å; H476-G727 PolarHBondContact CE1-N 2.88Å
477V91.9Very high89Confident0 Ų047.7 Ų47.70%023%0.229CC..Hα-helixtrans-60.8-46.8172.6178.30000110.7I385 L404 Y473 D474 K479 F480 I481 L723I385-V477 HydrophobicContact CG2-CG1 4.31Å; I385-V477 HydrophobicContact CG2-CG2 4.31Å; L404-V477 HydrophobicContact CD1-CB 4.03Å; L404-V477 HydrophobicContact CD1-CG1 3.88Å; L404-V477 HydrophobicContact CD1-CG2 4.41Å; L404-V477 HydrophobicContact CD2-CG2 4.48Å; Y473-V477 HydrophobicContact CD1-CG2 4.01Å; Y473-V477 HydrophobicContact CE1-CG2 3.49Å; Y473-V477 VanDerWaalsContact CE1-CG2 3.49Å; Y473-V477 HydrophobicContact CE2-CG2 4.16Å; Y473-V477 WeakPolarHBondContact O-CG2 3.48Å; Y473-V477 PolarHBondContact O-N 2.76Å; D474-V477 PolarHBondContact O-N 2.89Å; V477-K479 VanDerWaalsContact C-N 3.32Å; V477-K479 PolarHBondContact O-N 3.26Å; V477-F480 WeakPolarHBondContact O-CB 3.47Å; V477-F480 PolarHBondContact O-N 3.43Å; V477-F480 VanDerWaalsContact O-N 3.09Å; V477-I481 HydrophobicContact CG1-CD1 3.96Å; V477-I481 HydrophobicContact CG1-CG1 4.44Å; V477-I481 WeakPolarHBondContact O-CG1 3.45Å; V477-I481 PolarHBondContact O-N 2.61Å; V477-L723 HydrophobicContact CB-CD2 4.34Å; V477-L723 HydrophobicContact CG2-CD1 4.49Å; V477-L723 HydrophobicContact CG2-CD2 3.9Å
478H91.3Very high88.6Confident66 Ų6647.4 Ų47.431%0.30623%0.228SC..Hα-helixtrans-63.9-33.9175.4-71.699.1000113D474 R482D474-H478 PolarHBondContact O-N 3.04Å; D474-H478 PolarHBondContact O-ND1 3.2Å; D474-H478 IonicContact OD1-CE1 2.61Å; D474-H478 PolarHBondContact OD1-CE1 3.04Å; D474-H478 VanDerWaalsContact OD1-CE1 3.32Å; D474-H478 IonicContact OD1-ND1 3.24Å; D474-H478 PolarHBondContact OD1-ND1 3.21Å; D474-H478 IonicContact OD2-CE1 2.75Å; D474-H478 PolarHBondContact OD2-CE1 2.85Å; D474-H478 VanDerWaalsContact OD2-CE1 3.28Å; D474-H478 IonicContact OD2-ND1 3.76Å; H478-R482 WeakPolarHBondContact O-CG 3.43Å; H478-R482 PolarHBondContact O-N 3.35Å; H478-R482 VanDerWaalsContact O-N 3.16Å; H478-R482 PolarHBondContact O-NE 3.32Å
479K86.4Confident88.3Confident55 Ų5548.5 Ų48.524%0.23923%0.228CC..Hα-helixtrans-65.6-42.2171-172.1176.4-179.71780110.4R475 H476 V477 R482 T483 D653R475-K479 WeakPolarHBondContact O-CB 3.3Å; R475-K479 PolarHBondContact O-N 2.97Å; H476-K479 PolarHBondContact O-N 3Å; V477-K479 VanDerWaalsContact C-N 3.32Å; V477-K479 PolarHBondContact O-N 3.26Å; K479-R482 PolarHBondContact O-N 3.47Å; K479-T483 HydrophobicContact CG-CG2 4.19Å; K479-T483 WeakPolarHBondContact O-CB 3.28Å; K479-T483 WeakPolarHBondContact O-CG2 3.27Å; K479-T483 PolarHBondContact O-N 3.12Å; K479-T483 PolarHBondContact O-OG1 3.42Å; K479-D653 IonicContact NZ-OD1 3.15Å; K479-D653 PolarHBondContact NZ-OD1 3.29Å
480F90.2Very high88.1Confident0 Ų050.5 Ų50.50%024%0.24CC..Hα-helixtrans-63.2-45.9176.9-178.1-94000112.2L389 W393 H476 V477 R482 T483 A484 I485 L718 S719 P720 R722 L723L389-F480 HydrophobicContact CD1-CD1 4.14Å; L389-F480 HydrophobicContact CD1-CE1 4.19Å; W393-F480 HydrophobicContact CH2-CE1 4.32Å; W393-F480 HydrophobicContact CH2-CZ 4.03Å; W393-F480 HydrophobicContact CZ3-CE1 4.22Å; W393-F480 HydrophobicContact CZ3-CZ 4.04Å; H476-F480 PolarHBondContact O-N 2.87Å; V477-F480 WeakPolarHBondContact O-CB 3.47Å; V477-F480 PolarHBondContact O-N 3.43Å; V477-F480 VanDerWaalsContact O-N 3.09Å; F480-R482 VanDerWaalsContact C-N 3.32Å; F480-R482 PolarHBondContact O-N 2.99Å; F480-T483 PolarHBondContact O-N 3.27Å; F480-A484 HydrophobicContact CD1-CB 4.46Å; F480-A484 HydrophobicContact CD2-CB 3.97Å; F480-A484 HydrophobicContact CE1-CB 4.23Å; F480-A484 HydrophobicContact CE2-CB 3.71Å; F480-A484 HydrophobicContact CG-CB 4.34Å; F480-A484 HydrophobicContact CZ-CB 3.85Å; F480-A484 WeakPolarHBondContact O-CB 3.4Å; F480-A484 PolarHBondContact O-N 2.97Å; F480-I485 HydrophobicContact CD1-CD1 4.16Å; F480-I485 HydrophobicContact CD1-CG1 4.31Å; F480-I485 HydrophobicContact CE1-CD1 4Å; F480-I485 HydrophobicContact CE1-CG1 3.99Å; F480-I485 PolarHBondContact O-N 2.72Å; F480-L718 WeakPolarHBondContact CZ-O 3.27Å; F480-S719 VanDerWaalsContact CE2-O 3.3Å; F480-S719 WeakPolarHBondContact CE2-O 3.16Å; F480-P720 HydrophobicContact CZ-CG 4.41Å; F480-R722 HydrophobicContact CD2-CB 4.46Å; F480-R722 HydrophobicContact CE2-CB 4.43Å; F480-L723 HydrophobicContact CB-CD2 3.61Å; F480-L723 HydrophobicContact CB-CG 4.34Å; F480-L723 HydrophobicContact CD1-CD1 3.98Å; F480-L723 HydrophobicContact CD1-CD2 4.44Å; F480-L723 HydrophobicContact CD1-CG 4.32Å; F480-L723 HydrophobicContact CD2-CD2 4.37Å; F480-L723 HydrophobicContact CD2-CG 4.35Å; F480-L723 HydrophobicContact CE1-CD1 4.36Å; F480-L723 HydrophobicContact CG-CD1 4.23Å; F480-L723 HydrophobicContact CG-CD2 3.9Å; F480-L723 HydrophobicContact CG-CG 4.08Å
481I90Very high87.8Confident13 Ų1352.9 Ų52.97%0.06725%0.249CC..Iπ-helixtrans-56.7-48.4176.1-65.6163.4000110I397 V477 T483 I485 D486I397-I481 HydrophobicContact CD1-CG2 3.93Å; I397-I481 HydrophobicContact CG1-CG2 4.31Å; I397-I481 HydrophobicContact CG2-CD1 4.29Å; V477-I481 HydrophobicContact CG1-CD1 3.96Å; V477-I481 HydrophobicContact CG1-CG1 4.44Å; V477-I481 WeakPolarHBondContact O-CG1 3.45Å; V477-I481 PolarHBondContact O-N 2.61Å; I481-T483 PolarHBondContact O-N 2.87Å; I481-I485 HydrophobicContact CG1-CD1 4.09Å; I481-I485 WeakPolarHBondContact O-CB 3.34Å; I481-I485 PolarHBondContact O-N 2.87Å; I481-D486 PolarHBondContact O-N 3.05Å
482R86.4Confident87.6Confident159 Ų15951.9 Ų51.960%0.625%0.246SC*.Iπ-helixtrans-67.6-33.8179.6-72.3-174.7-62.6137.1-3.1114.8H478 K479 F480 D486H478-R482 WeakPolarHBondContact O-CG 3.43Å; H478-R482 PolarHBondContact O-N 3.35Å; H478-R482 VanDerWaalsContact O-N 3.16Å; H478-R482 PolarHBondContact O-NE 3.32Å; K479-R482 PolarHBondContact O-N 3.47Å; F480-R482 VanDerWaalsContact C-N 3.32Å; F480-R482 PolarHBondContact O-N 2.99Å; R482-D486 WeakPolarHBondContact CA-OD2 3.4Å
483T82.2Confident87.6Confident25 Ų2551.5 Ų51.515%0.15324%0.236CC..Iπ-helixtrans-99.9-30.1-17156.90000114K479 F480 I481 M487K479-T483 HydrophobicContact CG-CG2 4.19Å; K479-T483 WeakPolarHBondContact O-CB 3.28Å; K479-T483 WeakPolarHBondContact O-CG2 3.27Å; K479-T483 PolarHBondContact O-N 3.12Å; K479-T483 PolarHBondContact O-OG1 3.42Å; F480-T483 PolarHBondContact O-N 3.27Å; I481-T483 PolarHBondContact O-N 2.87Å; T483-M487 VanDerWaalsContact O-CG 3.3Å; T483-M487 WeakPolarHBondContact O-CG 3.36Å; T483-M487 VanDerWaalsContact O-SD 3.39Å
484A85.2Confident87.5Confident0 Ų051.7 Ų51.70%024%0.238CC..Iπ-helixtrans-104-50.6179.100000111.6W393 F480 D488 L718W393-A484 HydrophobicContact CH2-CB 4.26Å; F480-A484 HydrophobicContact CD1-CB 4.46Å; F480-A484 HydrophobicContact CD2-CB 3.97Å; F480-A484 HydrophobicContact CE1-CB 4.23Å; F480-A484 HydrophobicContact CE2-CB 3.71Å; F480-A484 HydrophobicContact CG-CB 4.34Å; F480-A484 HydrophobicContact CZ-CB 3.85Å; F480-A484 WeakPolarHBondContact O-CB 3.4Å; F480-A484 PolarHBondContact O-N 2.97Å; A484-D488 WeakPolarHBondContact O-CB 3.28Å; A484-D488 PolarHBondContact O-N 2.87Å; A484-L718 HydrophobicContact CB-CD2 3.91Å
485I87.6Confident87.3Confident1 Ų155.8 Ų55.81%0.00526%0.256CS..Iπ-helixtrans-78.8-47-172.7-58176.4000111.6L389 W393 R394 I397 F480 I481 M487 D488 K489L389-I485 HydrophobicContact CD2-CD1 3.66Å; W393-I485 HydrophobicContact CD2-CG1 4.03Å; W393-I485 HydrophobicContact CE3-CG1 4.35Å; W393-I485 HydrophobicContact CH2-CG1 4.04Å; W393-I485 HydrophobicContact CZ2-CB 4.27Å; W393-I485 HydrophobicContact CZ2-CG1 3.7Å; W393-I485 HydrophobicContact CZ3-CG1 4.35Å; R394-I485 HydrophobicContact CB-CG2 4.16Å; I397-I485 HydrophobicContact CD1-CG2 4.13Å; F480-I485 HydrophobicContact CD1-CD1 4.16Å; F480-I485 HydrophobicContact CD1-CG1 4.31Å; F480-I485 HydrophobicContact CE1-CD1 4Å; F480-I485 HydrophobicContact CE1-CG1 3.99Å; F480-I485 PolarHBondContact O-N 2.72Å; I481-I485 HydrophobicContact CG1-CD1 4.09Å; I481-I485 WeakPolarHBondContact O-CB 3.34Å; I481-I485 PolarHBondContact O-N 2.87Å; I485-M487 VanDerWaalsContact C-N 3.27Å; I485-M487 PolarHBondContact O-N 3.2Å; I485-D488 CarbonylContact O-C 3.58Å; I485-D488 PolarHBondContact O-N 3.07Å; I485-K489 WeakPolarHBondContact O-CA 3.47Å; I485-K489 PolarHBondContact O-N 2.68Å
486D85.5Confident87.4Confident76 Ų7651.9 Ų51.941%0.40624%0.241SC..THydrogen-bonded Turntrans-66-32.8-179.5-80.1-26.5000112.3I481 R482 K489I481-D486 PolarHBondContact O-N 3.05Å; R482-D486 WeakPolarHBondContact CA-OD2 3.4Å; D486-K489 WeakPolarHBondContact O-CE 3.39Å; D486-K489 WeakPolarHBondContact O-CG 3.17Å
487M79.2Confident87.6Confident84 Ų8450.6 Ų50.641%0.41424%0.236SC..THydrogen-bonded Turntrans-75.1-31.8174.9-62.2-158.666.300112.5T483 I485 E684 F799T483-M487 VanDerWaalsContact O-CG 3.3Å; T483-M487 WeakPolarHBondContact O-CG 3.36Å; T483-M487 VanDerWaalsContact O-SD 3.39Å; I485-M487 VanDerWaalsContact C-N 3.27Å; I485-M487 PolarHBondContact O-N 3.2Å; M487-E684 HydrophobicContact CE-CB 4.27Å; M487-E684 HydrophobicContact CE-CG 3.54Å; M487-E684 HydrophobicContact SD-CG 4.22Å; M487-F799 HydrophobicContact SD-CE2 4.37Å; M487-F799 HydrophobicContact SD-CZ 4.09Å
488D85Confident87.5Confident11 Ų1155.8 Ų55.86%0.05926%0.255CS..SBendtrans-126.565.1178.7-17013.4000111.9W393 A484 I485 N490 R491 V492 F493 A494W393-D488 PolarHBondContact NE1-O 3.35Å; A484-D488 WeakPolarHBondContact O-CB 3.28Å; A484-D488 PolarHBondContact O-N 2.87Å; I485-D488 CarbonylContact O-C 3.58Å; I485-D488 PolarHBondContact O-N 3.07Å; D488-N490 PolarHBondContact O-N 3.38Å; D488-R491 PolarHBondContact O-N 3.43Å; D488-R491 WeakPolarHBondContact OD1-CA 3.31Å; D488-R491 PolarHBondContact OD1-N 3.36Å; D488-R491 WeakPolarHBondContact OD2-CA 3.09Å; D488-V492 PolarHBondContact OD1-N 3.4Å; D488-V492 PolarHBondContact OD2-N 3.21Å; D488-F493 HydrophobicContact CB-CB 4.07Å; D488-F493 VanDerWaalsContact CG-CB 3.47Å; D488-F493 VanDerWaalsContact CG-N 3.26Å; D488-F493 PolarHBondContact OD1-N 3.03Å; D488-F493 WeakPolarHBondContact OD2-CA 3.31Å; D488-F493 WeakPolarHBondContact OD2-CB 3.49Å; D488-F493 PolarHBondContact OD2-N 3.35Å; D488-A494 PolarHBondContact OD2-N 3.32Å
489K85.7Confident87.5Confident107 Ų10758.3 Ų58.347%0.46527%0.267SS..THydrogen-bonded Turntrans-53.3-30.3-170.6-67.4-177.5179.1175.20115I485 D486I485-K489 WeakPolarHBondContact O-CA 3.47Å; I485-K489 PolarHBondContact O-N 2.68Å; D486-K489 WeakPolarHBondContact O-CE 3.39Å; D486-K489 WeakPolarHBondContact O-CG 3.17Å
490N85.6Confident87.8Confident128 Ų12856.1 Ų56.168%0.68426%0.258SS*.THydrogen-bonded Turntrans-110.49.8-177.3-62.5-28.5000112.6D488 V492D488-N490 PolarHBondContact O-N 3.38Å; N490-V492 HydrophobicContact CB-CG2 3.78Å; N490-V492 PolarHBondContact O-N 3.19Å; N490-V492 VanDerWaalsContact O-N 3.17Å
491R87.6Confident87.9Confident54 Ų5456.1 Ų56.120%0.20426%0.258CS..SBendtrans56.924.7-176.4-152.2175.8-179-175.71.4114.2N390 W393 D488 A494 Q495N390-R491 PolarHBondContact O-NH1 2.87Å; N390-R491 PolarHBondContact OD1-NH1 2.78Å; N390-R491 PolarHBondContact OD1-NH2 2.95Å; W393-R491 HydrophobicContact CD2-CB 4.22Å; W393-R491 HydrophobicContact CD2-CG 4.1Å; W393-R491 HydrophobicContact CE3-CG 4.32Å; W393-R491 HydrophobicContact CG-CB 4.23Å; W393-R491 HydrophobicContact CH2-CG 4.5Å; W393-R491 HydrophobicContact CZ2-CG 4.25Å; D488-R491 PolarHBondContact O-N 3.43Å; D488-R491 WeakPolarHBondContact OD1-CA 3.31Å; D488-R491 PolarHBondContact OD1-N 3.36Å; D488-R491 WeakPolarHBondContact OD2-CA 3.09Å; R491-A494 HydrophobicContact CG-CB 4.1Å; R491-Q495 WeakPolarHBondContact O-CB 3.36Å; R491-Q495 WeakPolarHBondContact O-CG 3.37Å; R491-Q495 PolarHBondContact O-N 3.03Å
492V88.9Confident87.9Confident54 Ų5460.2 Ų60.233%0.32728%0.278SS..Hα-helixtrans-78.4-39.9-176.4174.20000110.5D488 N490 Q495 R496D488-V492 PolarHBondContact OD1-N 3.4Å; D488-V492 PolarHBondContact OD2-N 3.21Å; N490-V492 HydrophobicContact CB-CG2 3.78Å; N490-V492 PolarHBondContact O-N 3.19Å; N490-V492 VanDerWaalsContact O-N 3.17Å; V492-Q495 PolarHBondContact O-N 3.3Å; V492-R496 HydrophobicContact CG1-CG 4.31Å; V492-R496 VanDerWaalsContact CG1-NE 3.26Å; V492-R496 WeakPolarHBondContact O-CB 3.24Å; V492-R496 VanDerWaalsContact O-CG 3.25Å; V492-R496 WeakPolarHBondContact O-CG 3.48Å; V492-R496 PolarHBondContact O-N 2.88Å
493F89.3Confident88.1Confident19 Ų1955.7 Ų55.78%0.08327%0.267CS..Hα-helixtrans-63-48.1178172.8-117.8000111.1D488 Q495 R496 L497 L718 F799 G802 V805 R806D488-F493 HydrophobicContact CB-CB 4.07Å; D488-F493 VanDerWaalsContact CG-CB 3.47Å; D488-F493 VanDerWaalsContact CG-N 3.26Å; D488-F493 PolarHBondContact OD1-N 3.03Å; D488-F493 WeakPolarHBondContact OD2-CA 3.31Å; D488-F493 WeakPolarHBondContact OD2-CB 3.49Å; D488-F493 PolarHBondContact OD2-N 3.35Å; F493-Q495 PolarHBondContact O-N 2.93Å; F493-R496 PolarHBondContact O-N 2.67Å; F493-L497 VanDerWaalsContact O-CB 3.3Å; F493-L497 WeakPolarHBondContact O-CB 3.49Å; F493-L497 PolarHBondContact O-N 3.42Å; F493-L718 HydrophobicContact CD1-CD1 3.5Å; F493-L718 VanDerWaalsContact CD1-CD1 3.5Å; F493-L718 HydrophobicContact CE1-CD1 3.51Å; F493-F799 HydrophobicContact CD1-CD1 4.49Å; F493-F799 HydrophobicContact CD1-CE1 4.11Å; F493-F799 AromaticContact CE1-CD1 3.47Å; F493-F799 HydrophobicContact CE1-CD1 3.47Å; F493-F799 VanDerWaalsContact CE1-CD1 3.47Å; F493-F799 AromaticContact CE1-CE1 3.43Å; F493-F799 HydrophobicContact CE1-CE1 3.43Å; F493-F799 VanDerWaalsContact CE1-CE1 3.43Å; F493-F799 AromaticContact CZ-CD1 3.84Å; F493-F799 HydrophobicContact CZ-CD1 3.84Å; F493-F799 HydrophobicContact CZ-CE1 4.27Å; F493-G802 WeakPolarHBondContact CE2-O 3.07Å; F493-V805 HydrophobicContact CD2-CG2 4.03Å; F493-V805 HydrophobicContact CE2-CG2 3.75Å; F493-R806 HydrophobicContact CD2-CB 4.19Å; F493-R806 HydrophobicContact CE2-CB 3.84Å; F493-R806 HydrophobicContact CE2-CG 4.43Å
494A87.9Confident88.5Confident6 Ų654.8 Ų54.85%0.0526%0.261CS..Hα-helixtrans-61.1-41.5177.700000112.4D488 R491 L497 R498 L718D488-A494 PolarHBondContact OD2-N 3.32Å; R491-A494 HydrophobicContact CG-CB 4.1Å; A494-L497 PolarHBondContact O-N 3.5Å; A494-R498 PolarHBondContact O-N 3.44Å; A494-L718 HydrophobicContact CB-CB 4.38Å; A494-L718 HydrophobicContact CB-CD1 3.97Å
495Q89.3Confident88.7Confident125 Ų12556.4 Ų56.458%0.58427%0.268SS*.Hα-helixtrans-63.8-45.4176-76.8174.1-3.700112.3R491 V492 F493 L497 R498 Q499R491-Q495 WeakPolarHBondContact O-CB 3.36Å; R491-Q495 WeakPolarHBondContact O-CG 3.37Å; R491-Q495 PolarHBondContact O-N 3.03Å; V492-Q495 PolarHBondContact O-N 3.3Å; F493-Q495 PolarHBondContact O-N 2.93Å; Q495-L497 VanDerWaalsContact C-N 3.33Å; Q495-R498 WeakPolarHBondContact O-CB 3.32Å; Q495-R498 PolarHBondContact O-N 2.88Å; Q495-Q499 PolarHBondContact O-N 2.81Å
496R91.7Very high88.6Confident80 Ų8062 Ų6230%0.30230%0.298SS..Hα-helixtrans-68.2-34177.4-69.7173.4-178.8-170.1-3.8112.2V492 F493 Q499 S500 V805 A807 G808V492-R496 HydrophobicContact CG1-CG 4.31Å; V492-R496 VanDerWaalsContact CG1-NE 3.26Å; V492-R496 WeakPolarHBondContact O-CB 3.24Å; V492-R496 VanDerWaalsContact O-CG 3.25Å; V492-R496 WeakPolarHBondContact O-CG 3.48Å; V492-R496 PolarHBondContact O-N 2.88Å; F493-R496 PolarHBondContact O-N 2.67Å; R496-Q499 PolarHBondContact O-N 2.88Å; R496-S500 VanDerWaalsContact O-CB 3.28Å; R496-S500 WeakPolarHBondContact O-CB 3.45Å; R496-S500 PolarHBondContact O-N 3.27Å; R496-V805 HydrophobicContact CB-CB 3.81Å; R496-V805 HydrophobicContact CB-CG1 4.09Å; R496-V805 HydrophobicContact CB-CG2 4.45Å; R496-A807 PolarHBondContact NH1-O 2.77Å; R496-G808 VanDerWaalsContact NH1-CA 3.33Å
497L92.2Very high88.7Confident0 Ų062.8 Ų62.80%030%0.3CS..Hα-helixtrans-62.5-45.2174-177.564.2000111F493 A494 Q495 Q499 S500 V501 K711 C714 L718 V805F493-L497 VanDerWaalsContact O-CB 3.3Å; F493-L497 WeakPolarHBondContact O-CB 3.49Å; F493-L497 PolarHBondContact O-N 3.42Å; A494-L497 PolarHBondContact O-N 3.5Å; Q495-L497 VanDerWaalsContact C-N 3.33Å; L497-Q499 VanDerWaalsContact C-N 3.33Å; L497-Q499 PolarHBondContact O-N 3.43Å; L497-S500 WeakPolarHBondContact O-CB 3.35Å; L497-S500 PolarHBondContact O-N 2.66Å; L497-V501 WeakPolarHBondContact O-CG2 3.47Å; L497-V501 PolarHBondContact O-N 2.77Å; L497-K711 HydrophobicContact CD1-CB 4.38Å; L497-K711 HydrophobicContact CD1-CG 4.31Å; L497-C714 HydrophobicContact CD2-CB 3.8Å; L497-C714 VanDerWaalsContact CD2-SG 3.54Å; L497-L718 HydrophobicContact CD2-CD1 4.19Å; L497-V805 HydrophobicContact CB-CG2 4.15Å; L497-V805 HydrophobicContact CD1-CG2 4.18Å
498R91.4Very high89.1Confident109 Ų10960.1 Ų60.141%0.41129%0.289SS..Hα-helixtrans-58-44.6173.3-174.4178179.1163.73.9112.1A494 Q495 V501 Q502 Y715 L741A494-R498 PolarHBondContact O-N 3.44Å; Q495-R498 WeakPolarHBondContact O-CB 3.32Å; Q495-R498 PolarHBondContact O-N 2.88Å; R498-V501 PolarHBondContact O-N 3.19Å; R498-Q502 PolarHBondContact O-N 3.27Å; R498-Y715 HydrophobicContact CB-CD2 4.26Å; R498-Y715 HydrophobicContact CB-CE2 3.95Å; R498-Y715 HydrophobicContact CG-CE2 4.34Å; R498-L741 HydrophobicContact CG-CD1 4.45Å; R498-L741 HydrophobicContact CG-CD2 3.88Å
499Q91.2Very high89.4Confident119 Ų11959.7 Ų59.756%0.55629%0.286SS*.Hα-helixtrans-64.4-41.7175.8-172.5178.53.700111.9Q495 R496 L497 V501 Q502 T503Q495-Q499 PolarHBondContact O-N 2.81Å; R496-Q499 PolarHBondContact O-N 2.88Å; L497-Q499 VanDerWaalsContact C-N 3.33Å; L497-Q499 PolarHBondContact O-N 3.43Å; Q499-V501 VanDerWaalsContact C-N 3.3Å; Q499-V501 PolarHBondContact O-N 3.3Å; Q499-Q502 WeakPolarHBondContact O-CB 3.24Å; Q499-Q502 PolarHBondContact O-N 3.49Å; Q499-Q502 VanDerWaalsContact O-N 3.09Å; Q499-T503 HydrophobicContact CG-CG2 4.48Å; Q499-T503 PolarHBondContact O-N 2.94Å; Q499-T503 PolarHBondContact O-OG1 2.81Å
500S91.6Very high89.8Confident8 Ų854.6 Ų54.66%0.05626%0.264CS..Hα-helixtrans-61.7-35.2177.9169.80000112.2R496 L497 Y504 K711 D804R496-S500 VanDerWaalsContact O-CB 3.28Å; R496-S500 WeakPolarHBondContact O-CB 3.45Å; R496-S500 PolarHBondContact O-N 3.27Å; L497-S500 WeakPolarHBondContact O-CB 3.35Å; L497-S500 PolarHBondContact O-N 2.66Å; S500-Y504 WeakPolarHBondContact O-CA 3.33Å; S500-Y504 VanDerWaalsContact O-CB 3.31Å; S500-Y504 WeakPolarHBondContact O-CB 3.17Å; S500-Y504 PolarHBondContact O-N 3.17Å; S500-K711 WeakPolarHBondContact OG-CE 3.41Å; S500-K711 PolarHBondContact OG-NZ 3.18Å; S500-D804 PolarHBondContact OG-OD2 2.97Å
501V91.9Very high90.1Very high0 Ų048.6 Ų48.60%023%0.232CC..Hα-helixtrans-62.2-44.6171.4171.20000111.4L497 R498 Q499 M708 K711 I712 L741 A742L497-V501 WeakPolarHBondContact O-CG2 3.47Å; L497-V501 PolarHBondContact O-N 2.77Å; R498-V501 PolarHBondContact O-N 3.19Å; Q499-V501 VanDerWaalsContact C-N 3.3Å; Q499-V501 PolarHBondContact O-N 3.3Å; V501-M708 HydrophobicContact CG1-CE 3.69Å; V501-K711 HydrophobicContact CG2-CB 3.69Å; V501-K711 HydrophobicContact CG2-CD 4.32Å; V501-I712 HydrophobicContact CG1-CD1 3.73Å; V501-I712 HydrophobicContact CG2-CD1 4.2Å; V501-L741 HydrophobicContact CG1-CB 3.83Å; V501-A742 HydrophobicContact CG1-CB 4.39Å
502Q91Very high90.3Very high100 Ų10046 Ų4647%0.46722%0.222SC..Hα-helixtrans-67.5-39.7-179-70.7174-20.800112.6R498 Q499 L741R498-Q502 PolarHBondContact O-N 3.27Å; Q499-Q502 WeakPolarHBondContact O-CB 3.24Å; Q499-Q502 PolarHBondContact O-N 3.49Å; Q499-Q502 VanDerWaalsContact O-N 3.09Å; Q502-L741 WeakPolarHBondContact CG-O 3.5Å
503T90.4Very high90.3Very high63 Ų6344.3 Ų44.339%0.38721%0.21SC..Hα-helixtrans-94.23.9-177.864.10000113.5Q499 F505 D506Q499-T503 HydrophobicContact CG-CG2 4.48Å; Q499-T503 PolarHBondContact O-N 2.94Å; Q499-T503 PolarHBondContact O-OG1 2.81Å; T503-F505 VanDerWaalsContact C-N 3.26Å; T503-F505 PolarHBondContact O-N 3.45Å; T503-D506 WeakPolarHBondContact O-CB 3.48Å; T503-D506 PolarHBondContact O-N 2.85Å
504Y90.9Very high90.1Very high6 Ų643.4 Ų43.42%0.02421%0.206CC..G310 helixtrans-55.1-42.2-174.1176.8-97.9000112.4S500 D506 E507 P508 W509 E704 M707 M708 K711S500-Y504 WeakPolarHBondContact O-CA 3.33Å; S500-Y504 VanDerWaalsContact O-CB 3.31Å; S500-Y504 WeakPolarHBondContact O-CB 3.17Å; S500-Y504 PolarHBondContact O-N 3.17Å; Y504-D506 PolarHBondContact O-N 3.35Å; Y504-E507 CarbonylContact O-C 3.54Å; Y504-E507 PolarHBondContact O-N 3.37Å; Y504-P508 HydrophobicContact CE1-CB 4.01Å; Y504-P508 WeakPolarHBondContact O-CA 3.49Å; Y504-W509 WeakPolarHBondContact CE2-O 3.19Å; Y504-W509 PolarHBondContact OH-O 3.21Å; Y504-E704 HydrophobicContact CE1-CB 4.25Å; Y504-E704 HydrophobicContact CE1-CG 4.31Å; Y504-M707 HydrophobicContact CE2-CB 3.99Å; Y504-M707 WeakPolarHBondContact OH-CB 3.29Å; Y504-M708 VanDerWaalsContact CB-SD 3.6Å; Y504-M708 HydrophobicContact CD1-CG 3.91Å; Y504-M708 HydrophobicContact CD1-SD 3.37Å; Y504-M708 WeakPolarHBondContact CD1-SD 3.46Å; Y504-M708 HydrophobicContact CD2-SD 4.32Å; Y504-M708 HydrophobicContact CE1-CG 4.13Å; Y504-M708 HydrophobicContact CE1-SD 4.14Å; Y504-M708 HydrophobicContact CG-SD 3.48Å; Y504-K711 HydrophobicContact CD2-CD 4.2Å
505F88.2Confident90.2Very high34 Ų3445.8 Ų45.815%0.14922%0.218CC..G310 helixtrans-71.2-6.1-177.9-66.3-71.1000114.9T503 M708 K746 L747 L750T503-F505 VanDerWaalsContact C-N 3.26Å; T503-F505 PolarHBondContact O-N 3.45Å; F505-M708 HydrophobicContact CE2-CE 4.13Å; F505-M708 HydrophobicContact CE2-SD 4.49Å; F505-M708 HydrophobicContact CZ-CG 4.34Å; F505-K746 HydrophobicContact CB-CD 3.55Å; F505-K746 HydrophobicContact CD1-CB 4.33Å; F505-K746 HydrophobicContact CD1-CD 4.44Å; F505-K746 HydrophobicContact CD2-CB 3.86Å; F505-K746 HydrophobicContact CD2-CD 3.57Å; F505-K746 HydrophobicContact CD2-CG 4.38Å; F505-K746 HydrophobicContact CE1-CB 4.29Å; F505-K746 HydrophobicContact CE2-CB 3.81Å; F505-K746 HydrophobicContact CE2-CD 4.36Å; F505-K746 HydrophobicContact CG-CB 4.12Å; F505-K746 HydrophobicContact CG-CD 3.61Å; F505-K746 HydrophobicContact CG-CG 4.48Å; F505-K746 HydrophobicContact CZ-CB 4.03Å; F505-L747 HydrophobicContact CZ-CD2 4.07Å; F505-L747 HydrophobicContact CZ-CG 4.36Å; F505-L750 HydrophobicContact CE1-CD1 3.89Å; F505-L750 HydrophobicContact CE1-CD2 4.23Å; F505-L750 HydrophobicContact CE1-CG 4.18Å; F505-L750 HydrophobicContact CZ-CD1 4.09Å
506D87.1Confident89.8Confident118 Ų11840.9 Ų40.963%0.63120%0.198SC*.G310 helixtrans-81.4-33.5179.7-62.3-10.6000111.3T503 Y504 K746T503-D506 WeakPolarHBondContact O-CB 3.48Å; T503-D506 PolarHBondContact O-N 2.85Å; Y504-D506 PolarHBondContact O-N 3.35Å; D506-K746 IonicContact OD1-NZ 3.75Å; D506-K746 PolarHBondContact OD1-NZ 2.95Å
507E86.3Confident89Confident94 Ų9444 Ų4444%0.43922%0.221SC..SBendtrans-148.779.3174.6-166.9170.3-179.400109Y504Y504-E507 CarbonylContact O-C 3.54Å; Y504-E507 PolarHBondContact O-N 3.37Å
508P88.7Confident87.9Confident28 Ų2851.2 Ų51.218%0.18225%0.248CC..  trans-72.2141.7-171.928.6-34.4000112.2Y504 I827Y504-P508 HydrophobicContact CE1-CB 4.01Å; Y504-P508 WeakPolarHBondContact O-CA 3.49Å; P508-I827 HydrophobicContact CB-CB 4.33Å; P508-I827 HydrophobicContact CB-CD1 4.27Å; P508-I827 HydrophobicContact CG-CB 4.29Å; P508-I827 PolarHBondContact O-N 2.8Å
509W91.6Very high86.5Confident2 Ų253.1 Ų53.11%0.00827%0.266CS..EExtended strand (participates in β ladder)trans-142.4145.6-18067.2-82.4000109.7Y504 L511 M707 D804 Q815 L818 A824Y504-W509 WeakPolarHBondContact CE2-O 3.19Å; Y504-W509 PolarHBondContact OH-O 3.21Å; W509-L511 HydrophobicContact CH2-CD2 4.3Å; W509-L511 HydrophobicContact CH2-CG 4.37Å; W509-L511 HydrophobicContact CZ3-CD2 3.72Å; W509-L511 HydrophobicContact CZ3-CG 3.84Å; W509-M707 HydrophobicContact CD2-CE 4.15Å; W509-M707 HydrophobicContact CE3-CE 3.96Å; W509-M707 HydrophobicContact CH2-CE 3.69Å; W509-M707 HydrophobicContact CZ2-CE 3.84Å; W509-M707 HydrophobicContact CZ3-CE 3.76Å; W509-D804 HydrophobicContact CH2-CB 4.43Å; W509-D804 HydrophobicContact CZ2-CB 3.67Å; W509-D804 VanDerWaalsContact CZ2-CG 3.42Å; W509-D804 PolarHBondContact NE1-OD2 3.38Å; W509-Q815 HydrophobicContact CD2-CG 4.28Å; W509-Q815 HydrophobicContact CG-CG 4.03Å; W509-L818 HydrophobicContact CH2-CD1 4.06Å; W509-L818 HydrophobicContact CZ3-CD1 4.03Å; W509-A824 HydrophobicContact CE3-CB 3.66Å; W509-A824 HydrophobicContact CZ3-CB 4Å
510A92.9Very high85Confident0 Ų055.4 Ų55.40%028%0.281CS..EExtended strand (participates in β ladder)trans-123.7142.1179.600000112.7V701 L702 M707 A824 M825 I827A510-V701 HydrophobicContact CB-CG1 3.54Å; A510-L702 WeakPolarHBondContact CB-O 3.3Å; A510-M707 HydrophobicContact CB-CG 4.05Å; A510-A824 CarbonylContact O-C 3.39Å; A510-A824 WeakPolarHBondContact O-CA 3.49Å; A510-A824 WeakPolarHBondContact O-CB 3.49Å; A510-M825 PolarHBondContact N-O 3.5Å; A510-M825 PolarHBondContact O-N 3.5Å; A510-I827 HydrophobicContact CB-CD1 3.74Å; A510-I827 HydrophobicContact CB-CG1 4.02Å
511L92.7Very high83.1Confident1 Ų161.4 Ų61.41%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-68142.5170.2-71.2167.2000111W509 L702 M707 R800 F801 E823W509-L511 HydrophobicContact CH2-CD2 4.3Å; W509-L511 HydrophobicContact CH2-CG 4.37Å; W509-L511 HydrophobicContact CZ3-CD2 3.72Å; W509-L511 HydrophobicContact CZ3-CG 3.84Å; L511-L702 HydrophobicContact CB-CD1 4.15Å; L511-L702 PolarHBondContact O-N 2.77Å; L511-M707 HydrophobicContact CB-SD 4.03Å; L511-M707 HydrophobicContact CD1-CE 4.39Å; L511-M707 HydrophobicContact CD1-SD 4.11Å; L511-M707 HydrophobicContact CG-CE 4.12Å; L511-M707 HydrophobicContact CG-SD 3.91Å; L511-M707 PolarHBondContact N-SD 2.77Å; L511-M707 VanDerWaalsContact N-SD 3.38Å; L511-R800 HydrophobicContact CD1-CB 4.19Å; L511-R800 HydrophobicContact CD1-CG 3.8Å; L511-R800 HydrophobicContact CD2-CG 4.02Å; L511-F801 HydrophobicContact CD1-CD1 3.99Å; L511-F801 HydrophobicContact CD1-CE1 4.1Å; L511-F801 HydrophobicContact CD1-CG 4.2Å; L511-F801 HydrophobicContact CD1-CZ 4.4Å; L511-E823 WeakPolarHBondContact CA-O 3.41Å
512T90.1Very high81.2Confident0 Ų069.3 Ų69.30%035%0.351CS..EExtended strand (participates in β ladder)trans-91.4155.7168.664.50000110.2S700 R800 G822 E823 M825T512-S700 CarbonylContact C-O 3.59Å; T512-S700 VanDerWaalsContact CA-O 3.32Å; T512-S700 WeakPolarHBondContact CA-O 3.23Å; T512-R800 VanDerWaalsContact O-CZ 3.27Å; T512-R800 PolarHBondContact O-NH1 2.99Å; T512-R800 PolarHBondContact O-NH2 3.43Å; T512-G822 PolarHBondContact OG1-O 3.19Å; T512-E823 PolarHBondContact N-O 3.26Å; T512-E823 PolarHBondContact OG1-O 3.07Å; T512-M825 HydrophobicContact CG2-CE 3.96Å; T512-M825 HydrophobicContact CG2-CG 4.15Å
513Y89Confident79.1Confident19 Ų1976.2 Ų76.28%0.07537%0.373CS..EExtended strand (participates in β ladder)trans-148.4151.9174.365.9-81.4000111N515 R699 S700 L702 L779Y513-N515 HydrophobicContact CD2-CB 4.17Å; Y513-N515 HydrophobicContact CE2-CB 3.76Å; Y513-R699 WeakPolarHBondContact O-CA 3.43Å; Y513-S700 PolarHBondContact N-O 2.73Å; Y513-S700 PolarHBondContact O-N 3.32Å; Y513-S700 WeakPolarHBondContact OH-CB 3.49Å; Y513-L702 HydrophobicContact CD1-CD2 4.04Å; Y513-L702 HydrophobicContact CD1-CG 4.09Å; Y513-L702 HydrophobicContact CE1-CD2 3.75Å; Y513-L702 HydrophobicContact CE1-CG 4.18Å; Y513-L779 HydrophobicContact CD2-CD2 3.41Å; Y513-L779 VanDerWaalsContact CD2-CD2 3.41Å; Y513-L779 HydrophobicContact CE2-CD2 3.76Å; Y513-L779 HydrophobicContact CG-CD2 3.92Å
514A87Confident76.9Confident0 Ų079.2 Ų79.20%039%0.387CS..EExtended strand (participates in β ladder)trans-64.9135171.500000109.6R645 S646 G647 L689 I697A514-R645 CarbonylContact C-O 3.07Å; A514-R645 WeakPolarHBondContact CB-O 3.4Å; A514-S646 CarbonylContact O-C 3.54Å; A514-G647 WeakPolarHBondContact O-CA 3.44Å; A514-G647 PolarHBondContact O-N 2.94Å; A514-L689 HydrophobicContact CB-CB 4.11Å; A514-I697 HydrophobicContact CB-CG2 4.17Å
515N88.5Confident74.7Confident56 Ų5688 Ų8830%0.29943%0.428SS..  trans-143.458.9-175.8-170.859.1000110.2Y513 R645 P698 S700Y513-N515 HydrophobicContact CD2-CB 4.17Å; Y513-N515 HydrophobicContact CE2-CB 3.76Å; N515-R645 PolarHBondContact N-O 2.99Å; N515-P698 PolarHBondContact N-O 3.45Å; N515-S700 VanDerWaalsContact CB-OG 3.26Å; N515-S700 WeakPolarHBondContact CB-OG 3.25Å; N515-S700 PolarHBondContact ND2-OG 3.34Å
516A82.2Confident72.4Confident21 Ų2194 Ų9417%0.17446%0.457CS..PPolyproline II helixtrans-59.3140168.200000110.2R518 R645 I697A516-R518 PolarHBondContact O-N 2.92Å; A516-R645 HydrophobicContact CB-CB 3.78Å; A516-R645 WeakPolarHBondContact CB-O 3.4Å; A516-R645 PolarHBondContact N-O 3.01Å; A516-I697 HydrophobicContact CB-CG2 4.12Å
517D74.4Confident70.2Confident145 Ų14596.2 Ų96.278%0.77547%0.465SS*.PPolyproline II helixtrans-58.3134.4169.7-65.3-42.7000109.1
518R68.1Low68.2Low153 Ų15396.6 Ų96.658%0.57748%0.484SS*.PPolyproline II helixtrans-68.4140.5176.6-66.7-176.9174.9-156.2-8.4108.3A516 L520A516-R518 PolarHBondContact O-N 2.92Å; R518-L520 PolarHBondContact O-N 3.18Å
519L63.6Low65.9Low149 Ų149101.9 Ų101.978%0.7851%0.51SS*.  trans-59.3115.9167.5-162.9152000107.3D521L519-D521 PolarHBondContact O-N 3.25Å
520L59Low63.3Low166 Ų166112.6 Ų112.687%0.86955%0.551SS**  trans-72.9115.4176.5-71.4175.3000107.7R518R518-L520 PolarHBondContact O-N 3.18Å
521D52.1Low60.8Low135 Ų135121.1 Ų121.172%0.72260%0.596SS**PPolyproline II helixtrans-93.7146176.5-148.8-11.4000110.6L519L519-D521 PolarHBondContact O-N 3.25Å
522M50.8Low58.2Low165 Ų165129.3 Ų129.381%0.81363%0.634SS**PPolyproline II helixtrans-78.2145.1169.5-67.4-94.7-76.900107.6D524M522-D524 PolarHBondContact O-N 2.75Å
523R47Very low55.7Low245 Ų245138 Ų13893%0.92568%0.675SS**PPolyproline II helixtrans-58.2139.8-176.7-67.2176.2-180165.72.3111.5E525R523-E525 VanDerWaalsContact C-N 3.26Å; R523-E525 PolarHBondContact O-N 3.11Å
524D44.7Very low53.3Low127 Ų127143.4 Ų143.468%0.67971%0.71SS**SBendtrans-57.457.7-179.4-72.5-38.3000116.5M522 M527M522-D524 PolarHBondContact O-N 2.75Å; D524-M527 VanDerWaalsContact OD1-SD 3.36Å
525E44.7Very low51.1Low190 Ų190148.7 Ų148.789%0.88874%0.742SS**SBendtrans-103.1-5.4167.8-75.4-173.3173.600113.7R523R523-E525 VanDerWaalsContact C-N 3.26Å; R523-E525 PolarHBondContact O-N 3.11Å
526E39.7Very low48.8Very low161 Ų161148.6 Ų148.675%0.75275%0.754SS**  trans-120.42.9-175-80.6-172.7153.800117A528 L529E526-A528 PolarHBondContact O-N 3.49Å; E526-L529 PolarHBondContact O-N 3.47Å
527M41.1Very low46.9Very low164 Ų164156.8 Ų156.881%0.80879%0.789SS**THydrogen-bonded Turntrans-68.58-175.8-10217461.900116.4D524D524-M527 VanDerWaalsContact OD1-SD 3.36Å
528A43.4Very low45.5Very low102 Ų102153.5 Ų153.584%0.84377%0.771SS**THydrogen-bonded Turntrans-89-1.9171.100000113.9E526E526-A528 PolarHBondContact O-N 3.49Å
529L40.9Very low44.7Very low139 Ų139149.7 Ų149.773%0.72877%0.766SS**SBendtrans-13383.5-175.8-74159.5000110.1E526E526-L529 PolarHBondContact O-N 3.47Å
530R37.3Very low44Very low227 Ų227150.6 Ų150.686%0.85777%0.767SS**  trans175.378155-95.6152.9-166.4-153.56.2110.9
531D40.9Very low43.7Very low178 Ų178150 Ų15095%0.95276%0.764SS**  trans-100.915.3160.5-103-14.3000111.2
532E37.9Very low43.6Very low173 Ų173146.8 Ų146.881%0.80875%0.747SS**SBendtrans-100.1124.7177.9-70.4-174.3169.300110.8V534E532-V534 PolarHBondContact O-N 2.91Å; E532-V534 VanDerWaalsContact O-N 3.09Å
533E38.2Very low43.2Very low183 Ų183146.4 Ų146.486%0.85574%0.743SS**  trans-43.3108.8176.4-65.7175.5142.600112.1T535E533-T535 VanDerWaalsContact C-N 3.3Å; E533-T535 PolarHBondContact O-N 3.48Å
534V38.2Very low43.1Very low133 Ų133145.5 Ų145.581%0.80674%0.741SS**  trans-75.685.7172.6-177.80000108.8E532E532-V534 PolarHBondContact O-N 2.91Å; E532-V534 VanDerWaalsContact O-N 3.09Å
535T40.2Very low43.3Very low110 Ų110145.3 Ų145.368%0.67574%0.736SS**  trans-76.4112.6157.853.80000107.9E533 E537E533-T535 VanDerWaalsContact C-N 3.3Å; E533-T535 PolarHBondContact O-N 3.48Å; T535-E537 PolarHBondContact O-N 3.13Å
536G40.8Very low43.7Very low54 Ų54142.6 Ų142.656%0.55772%0.724SS**PPolyproline II helixtrans-53131179.400000112.6
537E42.6Very low44.5Very low194 Ų194138.1 Ų138.191%0.90770%0.701SS**PPolyproline II helixtrans-62136.2174.3-70.7-178.8156.400110.5T535T535-E537 PolarHBondContact O-N 3.13Å
538L44Very low45.5Very low76 Ų76135.3 Ų135.340%0.39869%0.69SS.*PPolyproline II helixtrans-75.6134.5178.2-136.486.9000109E540 L542 F547L538-E540 PolarHBondContact O-N 3.31Å; L538-L542 HydrophobicContact CD2-CB 3.48Å; L538-L542 VanDerWaalsContact CD2-CB 3.48Å; L538-L542 HydrophobicContact CD2-CD1 4.25Å; L538-L542 HydrophobicContact CD2-CG 4.42Å; L538-L542 HydrophobicContact CG-CB 4.15Å; L538-L542 HydrophobicContact CG-CD1 4.06Å; L538-F547 HydrophobicContact CD2-CE2 3.99Å; L538-F547 HydrophobicContact CD2-CZ 4.32Å
539P51.3Low46.6Very low73 Ų73135.9 Ų135.947%0.47468%0.675SS.*PPolyproline II helixtrans-53.7135.5168.2-2329.3000111.3D541 L542P539-D541 PolarHBondContact O-N 2.92Å; P539-L542 HydrophobicContact CB-CD1 4.27Å; P539-L542 HydrophobicContact CG-CD1 4.05Å; P539-L542 WeakPolarHBondContact O-CB 3.46Å; P539-L542 PolarHBondContact O-N 3.44Å
540E49.5Very low47.8Very low168 Ų168130.5 Ų130.579%0.78565%0.647SS**G310 helixtrans-53.4-23.8179.5-67.8-177.3162.200112.5L538 L542 E543L538-E540 PolarHBondContact O-N 3.31Å; E540-L542 PolarHBondContact O-N 3.22Å; E540-L542 VanDerWaalsContact O-N 3.14Å; E540-E543 PolarHBondContact O-N 2.99Å
541D51.8Low49.2Very low153 Ų153123 Ų12382%0.81862%0.618SS**G310 helixtrans-63.9-12.9177.5-31.9-15000114.4P539P539-D541 PolarHBondContact O-N 2.92Å
542L49.8Very low50.8Low68 Ų68121.3 Ų121.336%0.35661%0.605SS.*G310 helixtrans-1025.3-176.4-80.2149.7000114.1L538 P539 E540 Y544L538-L542 HydrophobicContact CD2-CB 3.48Å; L538-L542 VanDerWaalsContact CD2-CB 3.48Å; L538-L542 HydrophobicContact CD2-CD1 4.25Å; L538-L542 HydrophobicContact CD2-CG 4.42Å; L538-L542 HydrophobicContact CG-CB 4.15Å; L538-L542 HydrophobicContact CG-CD1 4.06Å; P539-L542 HydrophobicContact CB-CD1 4.27Å; P539-L542 HydrophobicContact CG-CD1 4.05Å; P539-L542 WeakPolarHBondContact O-CB 3.46Å; P539-L542 PolarHBondContact O-N 3.44Å; E540-L542 PolarHBondContact O-N 3.22Å; E540-L542 VanDerWaalsContact O-N 3.14Å; L542-Y544 VanDerWaalsContact C-N 3.33Å; L542-Y544 PolarHBondContact O-N 3.47Å
543E43.8Very low52.5Low156 Ų156117.8 Ų117.873%0.72959%0.589SS**  trans-80.25.4-176.3-73.6-163.5147.600116.2E540E540-E543 PolarHBondContact O-N 2.99Å
544Y44.2Very low54.2Low227 Ų227109.1 Ų109.189%0.8955%0.548SS*.SBendtrans-122.664.3-174.1-92.8-92.2000114.2L542L542-Y544 VanDerWaalsContact C-N 3.33Å; L542-Y544 PolarHBondContact O-N 3.47Å
545E48.8Very low55.9Low122 Ų122103.7 Ų103.757%0.5752%0.517SS*.SBendtrans-163.1120.2151.5-106.1169.1-162.900104.5F547E545-F547 PolarHBondContact O-N 3.5Å
546E52.7Low57.7Low134 Ų134101.2 Ų101.263%0.62651%0.508SS*.  trans-54.8107-169.9-76.5-165.917800110.2N548 E549E546-N548 PolarHBondContact O-N 2.99Å; E546-E549 HydrophobicContact CB-CG 4.31Å; E546-E549 PolarHBondContact O-N 3.48Å
547F58Low59.5Low66 Ų66100.9 Ų100.929%0.28949%0.493SS..Hα-helixtrans-49.6-21.7178-111.9-90.1000112.8L538 E545 R551 I596L538-F547 HydrophobicContact CD2-CE2 3.99Å; L538-F547 HydrophobicContact CD2-CZ 4.32Å; E545-F547 PolarHBondContact O-N 3.5Å; F547-R551 WeakPolarHBondContact O-CB 3.34Å; F547-R551 WeakPolarHBondContact O-CG 3.1Å; F547-R551 PolarHBondContact O-N 3.44Å; F547-R551 VanDerWaalsContact O-N 3.14Å; F547-I596 HydrophobicContact CE1-CD1 3.79Å; F547-I596 HydrophobicContact CE1-CG1 4.15Å; F547-I596 HydrophobicContact CZ-CD1 4.15Å
548N61.8Low61Low106 Ų10691.7 Ų91.757%0.56745%0.45SS*.Hα-helixtrans-66.7-42.3173.1-70.9-24.7000112.9E546 I550 R551 E552E546-N548 PolarHBondContact O-N 2.99Å; N548-I550 PolarHBondContact O-N 2.83Å; N548-R551 PolarHBondContact O-N 3.18Å; N548-E552 WeakPolarHBondContact O-CB 3.28Å; N548-E552 WeakPolarHBondContact O-CG 3.42Å; N548-E552 PolarHBondContact O-N 2.75Å
549E65.7Low62.4Low114 Ų11492.8 Ų92.853%0.53345%0.453SS..Hα-helixtrans-64.5-42.5178.9-69.4-172160.200111.5E546 E552 Q553E546-E549 HydrophobicContact CB-CG 4.31Å; E546-E549 PolarHBondContact O-N 3.48Å; E549-E552 PolarHBondContact O-N 3.22Å; E549-Q553 WeakPolarHBondContact O-CB 3.38Å; E549-Q553 VanDerWaalsContact O-CG 3.29Å; E549-Q553 WeakPolarHBondContact O-CG 3.42Å; E549-Q553 PolarHBondContact O-N 3.16Å
550I65.9Low63.7Low26 Ų2695.9 Ų95.913%0.13346%0.461CS..Hα-helixtrans-63.4-43.6176.2-67.9175.3000110.6N548 L554 I596N548-I550 PolarHBondContact O-N 2.83Å; I550-L554 HydrophobicContact CG2-CD1 3.95Å; I550-L554 WeakPolarHBondContact O-CB 3.48Å; I550-L554 WeakPolarHBondContact O-CG 3.36Å; I550-L554 PolarHBondContact O-N 3.45Å; I550-I596 HydrophobicContact CG2-CG2 4.02Å
551R67.9Low64.7Low68 Ų6891.1 Ų91.126%0.25744%0.439SS..Hα-helixtrans-65.5-41.2177.1-74.4179.1-163.9-95.36.8112F547 N548 L554 A555 D599 Q600F547-R551 WeakPolarHBondContact O-CB 3.34Å; F547-R551 WeakPolarHBondContact O-CG 3.1Å; F547-R551 PolarHBondContact O-N 3.44Å; F547-R551 VanDerWaalsContact O-N 3.14Å; N548-R551 PolarHBondContact O-N 3.18Å; R551-L554 PolarHBondContact O-N 2.96Å; R551-A555 VanDerWaalsContact O-CB 3.27Å; R551-A555 WeakPolarHBondContact O-CB 3.43Å; R551-A555 PolarHBondContact O-N 3.35Å; R551-D599 IonicContact NH1-OD2 3.04Å; R551-D599 PolarHBondContact NH1-OD2 2.73Å; R551-Q600 HydrophobicContact CG-CG 4.24Å
552E73Confident65.6Low143 Ų14384.4 Ų84.467%0.66840%0.403SS*.Hα-helixtrans-65.7-43.9177.3-78.4-174.8177.700112.1N548 E549 A555 A556N548-E552 WeakPolarHBondContact O-CB 3.28Å; N548-E552 WeakPolarHBondContact O-CG 3.42Å; N548-E552 PolarHBondContact O-N 2.75Å; E549-E552 PolarHBondContact O-N 3.22Å; E552-A555 PolarHBondContact O-N 2.91Å; E552-A556 PolarHBondContact O-N 3.47Å
553Q73.6Confident66.7Low100 Ų10083.6 Ų83.647%0.46741%0.406SS..Hα-helixtrans-61.1-46174.9-73.9176.84.500111.7E549 A555 A556 I557E549-Q553 WeakPolarHBondContact O-CB 3.38Å; E549-Q553 VanDerWaalsContact O-CG 3.29Å; E549-Q553 WeakPolarHBondContact O-CG 3.42Å; E549-Q553 PolarHBondContact O-N 3.16Å; Q553-A555 VanDerWaalsContact C-N 3.34Å; Q553-A555 PolarHBondContact O-N 3.33Å; Q553-A556 PolarHBondContact O-N 2.86Å; Q553-I557 WeakPolarHBondContact O-CG1 3.48Å; Q553-I557 PolarHBondContact O-N 2.95Å; Q553-I557 VanDerWaalsContact O-N 3.11Å
554L73.7Confident68.1Low0 Ų078.8 Ų78.80%039%0.387CS..Hα-helixtrans-63.1-40.1176-84.7163.2000112.2I550 R551 I557 I558 Y581 I596 V597 Q600I550-L554 HydrophobicContact CG2-CD1 3.95Å; I550-L554 WeakPolarHBondContact O-CB 3.48Å; I550-L554 WeakPolarHBondContact O-CG 3.36Å; I550-L554 PolarHBondContact O-N 3.45Å; R551-L554 PolarHBondContact O-N 2.96Å; L554-I557 PolarHBondContact O-N 3.17Å; L554-I558 WeakPolarHBondContact O-CB 3.42Å; L554-I558 WeakPolarHBondContact O-CD1 3.18Å; L554-I558 VanDerWaalsContact O-CG1 3.24Å; L554-I558 WeakPolarHBondContact O-CG1 3.33Å; L554-I558 PolarHBondContact O-N 2.89Å; L554-Y581 HydrophobicContact CD1-CE1 3.81Å; L554-Y581 HydrophobicContact CD2-CD1 3.8Å; L554-Y581 HydrophobicContact CD2-CD2 4Å; L554-Y581 HydrophobicContact CD2-CE1 3.8Å; L554-Y581 HydrophobicContact CD2-CE2 4.02Å; L554-Y581 HydrophobicContact CD2-CG 3.9Å; L554-Y581 HydrophobicContact CG-CD1 4.35Å; L554-Y581 HydrophobicContact CG-CD2 4.49Å; L554-Y581 HydrophobicContact CG-CE1 3.82Å; L554-Y581 HydrophobicContact CG-CE2 4Å; L554-I596 HydrophobicContact CD1-CB 4.37Å; L554-I596 HydrophobicContact CD1-CG2 3.6Å; L554-V597 HydrophobicContact CD1-CG2 4.19Å; L554-V597 HydrophobicContact CD2-CB 4.04Å; L554-V597 HydrophobicContact CD2-CG1 4.05Å; L554-V597 HydrophobicContact CD2-CG2 3.49Å; L554-V597 VanDerWaalsContact CD2-CG2 3.49Å; L554-Q600 HydrophobicContact CB-CB 4.31Å; L554-Q600 HydrophobicContact CB-CG 4.11Å; L554-Q600 HydrophobicContact CD1-CG 4.33Å
555A75.2Confident69.3Low20 Ų2070.7 Ų70.717%0.16536%0.355CS..Hα-helixtrans-62.6-43.4176.700000111.8R551 E552 Q553 I557 I558 E559 L604R551-A555 VanDerWaalsContact O-CB 3.27Å; R551-A555 WeakPolarHBondContact O-CB 3.43Å; R551-A555 PolarHBondContact O-N 3.35Å; E552-A555 PolarHBondContact O-N 2.91Å; Q553-A555 VanDerWaalsContact C-N 3.34Å; Q553-A555 PolarHBondContact O-N 3.33Å; A555-I557 PolarHBondContact O-N 3.46Å; A555-I558 PolarHBondContact O-N 3.45Å; A555-E559 VanDerWaalsContact O-CB 3.29Å; A555-E559 WeakPolarHBondContact O-CB 3.23Å; A555-E559 VanDerWaalsContact O-CG 3.31Å; A555-E559 WeakPolarHBondContact O-CG 3.24Å; A555-E559 PolarHBondContact O-N 3.46Å; A555-L604 HydrophobicContact CB-CD1 4.03Å; A555-L604 HydrophobicContact CB-CD2 4.48Å
556A78.6Confident70.2Confident57 Ų5771.6 Ų71.647%0.47136%0.357SS..Hα-helixtrans-61.4-44.4176.200000112.6E552 Q553 E559 E560E552-A556 PolarHBondContact O-N 3.47Å; Q553-A556 PolarHBondContact O-N 2.86Å; A556-E559 PolarHBondContact O-N 3.1Å; A556-E560 PolarHBondContact O-N 3.19Å
557I76.8Confident71.3Confident48 Ų4870.7 Ų70.725%0.24636%0.361CS..Hα-helixtrans-63.6-45.5177.9-65.2166.2000110.7Q553 L554 A555 E560 Q561 V577 Y581Q553-I557 WeakPolarHBondContact O-CG1 3.48Å; Q553-I557 PolarHBondContact O-N 2.95Å; Q553-I557 VanDerWaalsContact O-N 3.11Å; L554-I557 PolarHBondContact O-N 3.17Å; A555-I557 PolarHBondContact O-N 3.46Å; I557-E560 PolarHBondContact O-N 3.25Å; I557-Q561 WeakPolarHBondContact O-CG 3.27Å; I557-Q561 PolarHBondContact O-N 2.78Å; I557-V577 HydrophobicContact CG2-CG1 3.96Å; I557-Y581 HydrophobicContact CD1-CD2 3.78Å; I557-Y581 HydrophobicContact CD1-CE2 4.02Å
558I74.1Confident72.1Confident0 Ų076.6 Ų76.60%038%0.381CS..Hα-helixtrans-68.4-37.8179.9-66.7165.6000110.8L554 A555 Q561 L562 V577 Q600 A601 L604L554-I558 WeakPolarHBondContact O-CB 3.42Å; L554-I558 WeakPolarHBondContact O-CD1 3.18Å; L554-I558 VanDerWaalsContact O-CG1 3.24Å; L554-I558 WeakPolarHBondContact O-CG1 3.33Å; L554-I558 PolarHBondContact O-N 2.89Å; A555-I558 PolarHBondContact O-N 3.45Å; I558-Q561 PolarHBondContact O-N 3.32Å; I558-L562 HydrophobicContact CG2-CD1 3.81Å; I558-L562 HydrophobicContact CG2-CG 4.3Å; I558-L562 WeakPolarHBondContact O-CB 3.38Å; I558-L562 VanDerWaalsContact O-CG 3.27Å; I558-L562 WeakPolarHBondContact O-CG 3.44Å; I558-L562 PolarHBondContact O-N 3.1Å; I558-V577 HydrophobicContact CG1-CG1 4.26Å; I558-Q600 HydrophobicContact CD1-CB 3.99Å; I558-A601 HydrophobicContact CD1-CB 4.09Å; I558-L604 HydrophobicContact CB-CD1 3.73Å; I558-L604 HydrophobicContact CD1-CD1 3.98Å; I558-L604 HydrophobicContact CG1-CD1 4.46Å; I558-L604 HydrophobicContact CG2-CB 4.21Å; I558-L604 HydrophobicContact CG2-CD1 3.63Å
559E75.2Confident72.5Confident100 Ų10079.4 Ų79.447%0.46739%0.391SS..Hα-helixtrans-64.5-41175.1-81-170.6166.900113A555 A556 Q561 L562 A563A555-E559 VanDerWaalsContact O-CB 3.29Å; A555-E559 WeakPolarHBondContact O-CB 3.23Å; A555-E559 VanDerWaalsContact O-CG 3.31Å; A555-E559 WeakPolarHBondContact O-CG 3.24Å; A555-E559 PolarHBondContact O-N 3.46Å; A556-E559 PolarHBondContact O-N 3.1Å; E559-Q561 VanDerWaalsContact C-N 3.32Å; E559-Q561 PolarHBondContact O-N 2.76Å; E559-L562 PolarHBondContact O-N 3.17Å; E559-A563 PolarHBondContact O-N 2.94Å
560E76.8Confident72.7Confident138 Ų13877.9 Ų77.965%0.64539%0.389SS*.Hα-helixtrans-60.3-43.8175.5-172.7176.4-172.400111A556 I557 A563A556-E560 PolarHBondContact O-N 3.19Å; I557-E560 PolarHBondContact O-N 3.25Å; E560-A563 WeakPolarHBondContact O-CB 3.3Å; E560-A563 PolarHBondContact O-N 3.42Å
561Q71.3Confident72.8Confident67 Ų6779.3 Ų79.331%0.31340%0.4SS..Hα-helixtrans-69.4-37.6176.5-63.4-64.5-26.300112.1I557 I558 E559 A563 V564 Y565 L572 V577I557-Q561 WeakPolarHBondContact O-CG 3.27Å; I557-Q561 PolarHBondContact O-N 2.78Å; I558-Q561 PolarHBondContact O-N 3.32Å; E559-Q561 VanDerWaalsContact C-N 3.32Å; E559-Q561 PolarHBondContact O-N 2.76Å; Q561-A563 VanDerWaalsContact C-N 3.29Å; Q561-A563 PolarHBondContact O-N 3.01Å; Q561-V564 WeakPolarHBondContact O-CB 3.16Å; Q561-V564 PolarHBondContact O-N 3.35Å; Q561-V564 VanDerWaalsContact O-N 3.16Å; Q561-Y565 PolarHBondContact O-N 2.97Å; Q561-L572 HydrophobicContact CB-CD1 3.54Å; Q561-L572 HydrophobicContact CB-CG 4.2Å; Q561-L572 WeakPolarHBondContact O-CD1 3.45Å; Q561-V577 HydrophobicContact CG-CG2 3.95Å
562L70.1Confident72.8Confident13 Ų1376.4 Ų76.47%0.06839%0.39CS..Hα-helixtrans-65.1-30.4174.7-79166.7000112.4I558 E559 V564 Y565 K566 L572 L604I558-L562 HydrophobicContact CG2-CD1 3.81Å; I558-L562 HydrophobicContact CG2-CG 4.3Å; I558-L562 WeakPolarHBondContact O-CB 3.38Å; I558-L562 VanDerWaalsContact O-CG 3.27Å; I558-L562 WeakPolarHBondContact O-CG 3.44Å; I558-L562 PolarHBondContact O-N 3.1Å; E559-L562 PolarHBondContact O-N 3.17Å; L562-V564 VanDerWaalsContact C-N 3.28Å; L562-V564 PolarHBondContact O-N 2.99Å; L562-Y565 WeakPolarHBondContact O-CB 3.32Å; L562-Y565 PolarHBondContact O-N 3.09Å; L562-K566 PolarHBondContact O-N 3.39Å; L562-L572 HydrophobicContact CB-CD1 4.5Å; L562-L572 HydrophobicContact CD2-CD1 4.05Å; L562-L572 HydrophobicContact CG-CD1 4.01Å; L562-L604 HydrophobicContact CD1-CB 4.48Å
563A73.7Confident72.6Confident50 Ų5072.2 Ų72.241%0.41337%0.372SS..Hα-helixtrans-64.5-33.3173.800000112.2E559 E560 Q561 K566 T567E559-A563 PolarHBondContact O-N 2.94Å; E560-A563 WeakPolarHBondContact O-CB 3.3Å; E560-A563 PolarHBondContact O-N 3.42Å; Q561-A563 VanDerWaalsContact C-N 3.29Å; Q561-A563 PolarHBondContact O-N 3.01Å; A563-K566 PolarHBondContact O-N 2.97Å; A563-T567 PolarHBondContact O-N 3.09Å; A563-T567 PolarHBondContact O-OG1 3.05Å
564V72.8Confident72.4Confident55 Ų5568.5 Ų68.533%0.33336%0.355SS..Hα-helixtrans-67.2-40.9173-175.40000110.8Q561 L562 K566 T567 R568Q561-V564 WeakPolarHBondContact O-CB 3.16Å; Q561-V564 PolarHBondContact O-N 3.35Å; Q561-V564 VanDerWaalsContact O-N 3.16Å; L562-V564 VanDerWaalsContact C-N 3.28Å; L562-V564 PolarHBondContact O-N 2.99Å; V564-K566 PolarHBondContact O-N 2.95Å; V564-T567 PolarHBondContact O-N 3.37Å; V564-T567 PolarHBondContact O-OG1 2.9Å; V564-R568 WeakPolarHBondContact O-CB 3.19Å; V564-R568 PolarHBondContact O-N 2.84Å
565Y69.9Low72.3Confident57 Ų5769 Ų6922%0.22436%0.36CS..Hα-helixtrans-58.8-45.5173177-99.7000111.6Q561 L562 T567 Q569 V570 A616 K617Q561-Y565 PolarHBondContact O-N 2.97Å; L562-Y565 WeakPolarHBondContact O-CB 3.32Å; L562-Y565 PolarHBondContact O-N 3.09Å; Y565-T567 VanDerWaalsContact C-N 3.33Å; Y565-T567 PolarHBondContact O-N 2.93Å; Y565-Q569 VanDerWaalsContact O-CA 3.3Å; Y565-Q569 WeakPolarHBondContact O-CA 3.43Å; Y565-Q569 PolarHBondContact O-N 3.5Å; Y565-V570 VanDerWaalsContact CD2-O 3.31Å; Y565-V570 WeakPolarHBondContact CD2-O 3.44Å; Y565-A616 HydrophobicContact CD1-CB 4.42Å; Y565-A616 HydrophobicContact CE1-CB 4.05Å; Y565-K617 PolarHBondContact OH-N 2.99Å
566K67.8Low72.2Confident141 Ų14172.8 Ų72.861%0.61338%0.377SS*.Hα-helixtrans-62.2-35179.2-75.3179.7-177.2168.90113.7L562 A563 V564L562-K566 PolarHBondContact O-N 3.39Å; A563-K566 PolarHBondContact O-N 2.97Å; V564-K566 PolarHBondContact O-N 2.95Å
567T75Confident71.9Confident115 Ų11570.2 Ų70.271%0.70636%0.356SS*.Hα-helixtrans-91.4-31-176.740.50000113.9A563 V564 Y565A563-T567 PolarHBondContact O-N 3.09Å; A563-T567 PolarHBondContact O-OG1 3.05Å; V564-T567 PolarHBondContact O-N 3.37Å; V564-T567 PolarHBondContact O-OG1 2.9Å; Y565-T567 VanDerWaalsContact C-N 3.33Å; Y565-T567 PolarHBondContact O-N 2.93Å
568R75.8Confident72Confident191 Ų19169 Ų6972%0.72135%0.351SS*.Hα-helixtrans-119.4-5.6-171.2-58.6-172.4-179.5-179.10.9115V564 V570V564-R568 WeakPolarHBondContact O-CB 3.19Å; V564-R568 PolarHBondContact O-N 2.84Å; R568-V570 HydrophobicContact CB-CG2 3.81Å; R568-V570 PolarHBondContact O-N 3.05Å; R568-V570 VanDerWaalsContact O-N 3.12Å
569Q69.8Low72.2Confident165 Ų16578.5 Ų78.577%0.77139%0.386SS*.  trans51.227.5-172.1-67.5-152-24.200114.4Y565Y565-Q569 VanDerWaalsContact O-CA 3.3Å; Y565-Q569 WeakPolarHBondContact O-CA 3.43Å; Y565-Q569 PolarHBondContact O-N 3.5Å
570V70.2Confident72.4Confident81 Ų8179 Ų7949%0.49139%0.389SS..PPolyproline II helixtrans-84.9123.7175.4178.80000108.3Y565 R568Y565-V570 VanDerWaalsContact CD2-O 3.31Å; Y565-V570 WeakPolarHBondContact CD2-O 3.44Å; R568-V570 HydrophobicContact CB-CG2 3.81Å; R568-V570 PolarHBondContact O-N 3.05Å; R568-V570 VanDerWaalsContact O-N 3.12Å
571P67.9Low72.5Confident56 Ų5672.5 Ų72.536%0.36436%0.358SS..PPolyproline II helixtrans-49.8141.1176.5-27.435000112.3D573 K617 Q619P571-D573 PolarHBondContact O-N 2.84Å; P571-K617 VanDerWaalsContact CA-O 3.28Å; P571-K617 WeakPolarHBondContact CA-O 3.46Å; P571-K617 VanDerWaalsContact CB-O 3.31Å; P571-K617 WeakPolarHBondContact CB-O 3.33Å; P571-Q619 HydrophobicContact CB-CB 4.31Å
572L66.8Low72.9Confident8 Ų870.5 Ų70.54%0.04235%0.35CS..BIsolated β-bridgetrans-71.9123.4177.9-153.8108.4000109.7Q561 L562 L574 K617 W618 Q619Q561-L572 HydrophobicContact CB-CD1 3.54Å; Q561-L572 HydrophobicContact CB-CG 4.2Å; Q561-L572 WeakPolarHBondContact O-CD1 3.45Å; L562-L572 HydrophobicContact CB-CD1 4.5Å; L562-L572 HydrophobicContact CD2-CD1 4.05Å; L562-L572 HydrophobicContact CG-CD1 4.01Å; L572-L574 HydrophobicContact CD2-CD1 4.12Å; L572-L574 PolarHBondContact O-N 2.86Å; L572-K617 PolarHBondContact N-O 3.04Å; L572-W618 HydrophobicContact CB-CE3 4.2Å; L572-W618 HydrophobicContact CB-CZ3 4.27Å; L572-W618 HydrophobicContact CD2-CE3 4.09Å; L572-W618 HydrophobicContact CD2-CH2 4.23Å; L572-W618 HydrophobicContact CD2-CZ3 3.39Å; L572-W618 HydrophobicContact CG-CZ3 4.44Å; L572-Q619 PolarHBondContact O-N 3.38Å
573D70.1Confident73.7Confident55 Ų5574.3 Ų74.329%0.29438%0.378SS..  trans-88.589.4173.4-173.2-11.3000109.7P571 G575 L576 V577P571-D573 PolarHBondContact O-N 2.84Å; D573-G575 PolarHBondContact O-N 3.13Å; D573-G575 WeakPolarHBondContact OD1-CA 3.41Å; D573-G575 PolarHBondContact OD1-N 3.22Å; D573-L576 HydrophobicContact CB-CB 4.17Å; D573-L576 WeakPolarHBondContact O-CB 3.47Å; D573-L576 PolarHBondContact O-N 3.37Å; D573-L576 VanDerWaalsContact O-N 3.13Å; D573-L576 PolarHBondContact OD1-N 2.99Å; D573-V577 PolarHBondContact O-N 2.86Å
574L68.8Low74.1Confident21 Ų2177.7 Ų77.711%0.1139%0.385CS..Hα-helixtrans-61.7-27.5176.9-151.990.8000112L572 L576 V577 V578 I598 A601 W618L572-L574 HydrophobicContact CD2-CD1 4.12Å; L572-L574 PolarHBondContact O-N 2.86Å; L574-L576 PolarHBondContact O-N 3.45Å; L574-V577 PolarHBondContact O-N 3.37Å; L574-V578 HydrophobicContact CD2-CG2 4.21Å; L574-V578 HydrophobicContact CG-CG2 4.3Å; L574-V578 WeakPolarHBondContact O-CB 3.42Å; L574-V578 WeakPolarHBondContact O-CG2 3.34Å; L574-V578 PolarHBondContact O-N 2.91Å; L574-I598 HydrophobicContact CD2-CG1 4.35Å; L574-A601 HydrophobicContact CD1-CB 3.46Å; L574-A601 VanDerWaalsContact CD1-CB 3.46Å; L574-A601 HydrophobicContact CD2-CB 4.29Å; L574-A601 HydrophobicContact CG-CB 4.49Å; L574-W618 HydrophobicContact CB-CE3 4.35Å; L574-W618 HydrophobicContact CB-CZ3 4.43Å; L574-W618 HydrophobicContact CD1-CE3 3.9Å; L574-W618 HydrophobicContact CD1-CH2 3.92Å; L574-W618 HydrophobicContact CD1-CZ3 3.2Å; L574-W618 HydrophobicContact CG-CZ3 4.36Å
575G71Confident74.4Confident11 Ų1177.2 Ų77.211%0.11338%0.377CS..Hα-helixtrans-63-33.1177.100000112.1D573 R579D573-G575 PolarHBondContact O-N 3.13Å; D573-G575 WeakPolarHBondContact OD1-CA 3.41Å; D573-G575 PolarHBondContact OD1-N 3.22Å; G575-R579 WeakPolarHBondContact O-CB 3.34Å; G575-R579 VanDerWaalsContact O-CG 3.23Å; G575-R579 WeakPolarHBondContact O-CG 3.28Å; G575-R579 PolarHBondContact O-N 3.34Å
576L72.7Confident74.9Confident99 Ų9978.6 Ų78.652%0.51839%0.393SS..Hα-helixtrans-70.5-47.2175.9-132.6134.4000111.4D573 L574 V578 R579 E580D573-L576 HydrophobicContact CB-CB 4.17Å; D573-L576 WeakPolarHBondContact O-CB 3.47Å; D573-L576 PolarHBondContact O-N 3.37Å; D573-L576 VanDerWaalsContact O-N 3.13Å; D573-L576 PolarHBondContact OD1-N 2.99Å; L574-L576 PolarHBondContact O-N 3.45Å; L576-V578 PolarHBondContact O-N 3.37Å; L576-R579 PolarHBondContact O-N 2.94Å; L576-E580 WeakPolarHBondContact O-CB 3.48Å; L576-E580 PolarHBondContact O-N 3.16Å
577V74.1Confident75.2Confident3 Ų382.6 Ų82.62%0.01840%0.404CS..Hα-helixtrans-60.1-47176.4178.20000111.2I557 I558 Q561 D573 L574 E580 Y581 V597I557-V577 HydrophobicContact CG2-CG1 3.96Å; I558-V577 HydrophobicContact CG1-CG1 4.26Å; Q561-V577 HydrophobicContact CG-CG2 3.95Å; D573-V577 PolarHBondContact O-N 2.86Å; L574-V577 PolarHBondContact O-N 3.37Å; V577-E580 PolarHBondContact O-N 3.39Å; V577-Y581 VanDerWaalsContact O-CB 3.28Å; V577-Y581 WeakPolarHBondContact O-CB 3.31Å; V577-Y581 PolarHBondContact O-N 3.38Å; V577-V597 HydrophobicContact CG1-CG1 4.26Å
578V77.2Confident75.1Confident23 Ų2381.6 Ų81.614%0.13941%0.408CS..Hα-helixtrans-62.8-46.2177.9171.40000110.4L574 L576 E580 Y581 L582 V597L574-V578 HydrophobicContact CD2-CG2 4.21Å; L574-V578 HydrophobicContact CG-CG2 4.3Å; L574-V578 WeakPolarHBondContact O-CB 3.42Å; L574-V578 WeakPolarHBondContact O-CG2 3.34Å; L574-V578 PolarHBondContact O-N 2.91Å; L576-V578 PolarHBondContact O-N 3.37Å; V578-E580 PolarHBondContact O-N 3.04Å; V578-Y581 PolarHBondContact O-N 2.87Å; V578-L582 HydrophobicContact CG1-CD1 3.43Å; V578-L582 VanDerWaalsContact CG1-CD1 3.43Å; V578-L582 HydrophobicContact CG1-CG 3.93Å; V578-L582 WeakPolarHBondContact O-CB 3.42Å; V578-L582 WeakPolarHBondContact O-CG 3.43Å; V578-L582 PolarHBondContact O-N 2.9Å; V578-V597 HydrophobicContact CG2-CB 4.3Å; V578-V597 HydrophobicContact CG2-CG1 3.62Å
579R79.3Confident74.9Confident199 Ų19978.4 Ų78.475%0.75140%0.396SS*.Hα-helixtrans-62.7-44.4178.6-79.9177.3-167.3173.47.3112.8G575 L576 S583G575-R579 WeakPolarHBondContact O-CB 3.34Å; G575-R579 VanDerWaalsContact O-CG 3.23Å; G575-R579 WeakPolarHBondContact O-CG 3.28Å; G575-R579 PolarHBondContact O-N 3.34Å; L576-R579 PolarHBondContact O-N 2.94Å; R579-S583 WeakPolarHBondContact O-CB 3.24Å; R579-S583 PolarHBondContact O-N 2.91Å
580E79.5Confident75.3Confident110 Ų11073.4 Ų73.451%0.51437%0.373SS..Hα-helixtrans-65.6-42.2-178.9-169.5165.9-162.400110.8L576 V577 V578 S583L576-E580 WeakPolarHBondContact O-CB 3.48Å; L576-E580 PolarHBondContact O-N 3.16Å; V577-E580 PolarHBondContact O-N 3.39Å; V578-E580 PolarHBondContact O-N 3.04Å; E580-S583 PolarHBondContact O-N 3.47Å; E580-S583 PolarHBondContact O-OG 2.88Å
581Y78.6Confident75.3Confident3 Ų377.6 Ų77.61%0.01239%0.385CS..Hα-helixtrans-71.4-44.6177.6-157.9-107.8000112.5L554 I557 V577 V578 S583 Q584 Y585 V593 V597L554-Y581 HydrophobicContact CD1-CE1 3.81Å; L554-Y581 HydrophobicContact CD2-CD1 3.8Å; L554-Y581 HydrophobicContact CD2-CD2 4Å; L554-Y581 HydrophobicContact CD2-CE1 3.8Å; L554-Y581 HydrophobicContact CD2-CE2 4.02Å; L554-Y581 HydrophobicContact CD2-CG 3.9Å; L554-Y581 HydrophobicContact CG-CD1 4.35Å; L554-Y581 HydrophobicContact CG-CD2 4.49Å; L554-Y581 HydrophobicContact CG-CE1 3.82Å; L554-Y581 HydrophobicContact CG-CE2 4Å; I557-Y581 HydrophobicContact CD1-CD2 3.78Å; I557-Y581 HydrophobicContact CD1-CE2 4.02Å; V577-Y581 VanDerWaalsContact O-CB 3.28Å; V577-Y581 WeakPolarHBondContact O-CB 3.31Å; V577-Y581 PolarHBondContact O-N 3.38Å; V578-Y581 PolarHBondContact O-N 2.87Å; Y581-S583 PolarHBondContact O-N 2.91Å; Y581-Q584 WeakPolarHBondContact O-CB 3.44Å; Y581-Q584 PolarHBondContact O-N 3.39Å; Y581-Q584 VanDerWaalsContact O-N 3.12Å; Y581-Y585 HydrophobicContact CD1-CE2 4.18Å; Y581-Y585 AromaticContact CE1-CE2 3.76Å; Y581-Y585 HydrophobicContact CE1-CE2 3.76Å; Y581-Y585 WeakPolarHBondContact O-CD2 3.2Å; Y581-Y585 PolarHBondContact OH-OH 2.58Å; Y581-V593 HydrophobicContact CD1-CG1 3.42Å; Y581-V593 VanDerWaalsContact CD1-CG1 3.42Å; Y581-V593 HydrophobicContact CE1-CG1 3.6Å; Y581-V597 HydrophobicContact CD1-CG2 3.51Å; Y581-V597 HydrophobicContact CE1-CG2 4.16Å; Y581-V597 HydrophobicContact CG-CG2 4.19Å
582L80.7Confident75.1Confident25 Ų2578.5 Ų78.513%0.13139%0.386CS..Hα-helixtrans-62.2-26.1176.4-71.7-179.7000113V578 Q584 Y585 H590 V593 A594V578-L582 HydrophobicContact CG1-CD1 3.43Å; V578-L582 VanDerWaalsContact CG1-CD1 3.43Å; V578-L582 HydrophobicContact CG1-CG 3.93Å; V578-L582 WeakPolarHBondContact O-CB 3.42Å; V578-L582 WeakPolarHBondContact O-CG 3.43Å; V578-L582 PolarHBondContact O-N 2.9Å; L582-Q584 PolarHBondContact O-N 2.98Å; L582-Y585 PolarHBondContact O-N 3.41Å; L582-H590 HydrophobicContact CD2-CB 3.99Å; L582-H590 VanDerWaalsContact CD2-O 3.3Å; L582-H590 WeakPolarHBondContact CD2-O 3.47Å; L582-H590 PolarHBondContact O-NE2 2.82Å; L582-V593 HydrophobicContact CD2-CB 3.84Å; L582-V593 HydrophobicContact CD2-CG1 3.79Å; L582-A594 HydrophobicContact CD1-CB 4.48Å; L582-A594 HydrophobicContact CD2-CB 4.31Å
583S85Confident75.3Confident93 Ų9378.6 Ų78.665%0.6539%0.387SS*.THydrogen-bonded Turntrans-64-18176.979.30000113.7R579 E580 Y581R579-S583 WeakPolarHBondContact O-CB 3.24Å; R579-S583 PolarHBondContact O-N 2.91Å; E580-S583 PolarHBondContact O-N 3.47Å; E580-S583 PolarHBondContact O-OG 2.88Å; Y581-S583 PolarHBondContact O-N 2.91Å
584Q83.4Confident75.4Confident121 Ų12177 Ų7757%0.56538%0.382SS*.THydrogen-bonded Turntrans-87-8.9179.8-54.4179.823.100113Y581 L582Y581-Q584 WeakPolarHBondContact O-CB 3.44Å; Y581-Q584 PolarHBondContact O-N 3.39Å; Y581-Q584 VanDerWaalsContact O-N 3.12Å; L582-Q584 PolarHBondContact O-N 2.98Å
585Y78.8Confident75.5Confident45 Ų4581.8 Ų81.818%0.17640%0.398CS..SBendtrans-121149.1-175.9-66.3-89.2000112.5Y581 L582 H590 V593Y581-Y585 HydrophobicContact CD1-CE2 4.18Å; Y581-Y585 AromaticContact CE1-CE2 3.76Å; Y581-Y585 HydrophobicContact CE1-CE2 3.76Å; Y581-Y585 WeakPolarHBondContact O-CD2 3.2Å; Y581-Y585 PolarHBondContact OH-OH 2.58Å; L582-Y585 PolarHBondContact O-N 3.41Å; Y585-H590 PolarHBondContact O-NE2 3.38Å; Y585-V593 HydrophobicContact CD1-CG2 3.97Å; Y585-V593 HydrophobicContact CD2-CB 4.47Å; Y585-V593 HydrophobicContact CD2-CG1 3.84Å; Y585-V593 HydrophobicContact CD2-CG2 3.95Å; Y585-V593 HydrophobicContact CE1-CG2 4.26Å; Y585-V593 HydrophobicContact CE2-CG1 3.98Å; Y585-V593 HydrophobicContact CE2-CG2 4.24Å; Y585-V593 HydrophobicContact CG-CG1 4.49Å; Y585-V593 HydrophobicContact CG-CG2 3.8Å
586P79.9Confident75.5Confident86 Ų8682.2 Ų82.256%0.55840%0.398SS*.  trans-56.5146.5171-22.432.3000112A588 R589 H590P586-A588 PolarHBondContact O-N 3.01Å; P586-R589 PolarHBondContact O-N 3Å; P586-H590 PolarHBondContact O-CD2 3.26Å; P586-H590 VanDerWaalsContact O-CD2 3.26Å
587R75.2Confident75.5Confident224 Ų22477.5 Ų77.585%0.84537%0.373SS*.G310 helixtrans-52.8-31.3-178.9-166.9175.8-178.6176.50.1113.9R589 H590R587-R589 PolarHBondContact O-N 3.33Å; R587-H590 WeakPolarHBondContact O-CB 3.5Å; R587-H590 PolarHBondContact O-N 3.03Å
588A73.2Confident75.3Confident95 Ų9581.5 Ų81.579%0.78539%0.394SS*.G310 helixtrans-63.1-26.9176.600000113.6P586P586-A588 PolarHBondContact O-N 3.01Å
589R70.6Confident74.9Confident124 Ų12484.1 Ų84.147%0.46841%0.407SS..G310 helixtrans-95.41179-68-169.8173.5-171.3-3113.5P586 R587 F591 D592 V593P586-R589 PolarHBondContact O-N 3Å; R587-R589 PolarHBondContact O-N 3.33Å; R589-F591 PolarHBondContact O-N 3.36Å; R589-D592 PolarHBondContact O-N 3.1Å; R589-V593 HydrophobicContact CB-CG2 4.33Å; R589-V593 WeakPolarHBondContact O-CB 3.37Å; R589-V593 VanDerWaalsContact O-CG2 3.3Å; R589-V593 WeakPolarHBondContact O-CG2 3.43Å; R589-V593 PolarHBondContact O-N 3.3Å; R589-V593 VanDerWaalsContact O-N 3.07Å
590H77.8Confident74.4Confident60 Ų6075.1 Ų75.128%0.27837%0.373SS..Hα-helixtrans-63.2-32.8-172.8-77.6-167000113L582 Y585 P586 R587 A594L582-H590 HydrophobicContact CD2-CB 3.99Å; L582-H590 VanDerWaalsContact CD2-O 3.3Å; L582-H590 WeakPolarHBondContact CD2-O 3.47Å; L582-H590 PolarHBondContact O-NE2 2.82Å; Y585-H590 PolarHBondContact O-NE2 3.38Å; P586-H590 PolarHBondContact O-CD2 3.26Å; P586-H590 VanDerWaalsContact O-CD2 3.26Å; R587-H590 WeakPolarHBondContact O-CB 3.5Å; R587-H590 PolarHBondContact O-N 3.03Å; H590-A594 WeakPolarHBondContact O-CB 3.45Å; H590-A594 PolarHBondContact O-N 3.07Å
591F71Confident73.9Confident169 Ų16970 Ų7074%0.74135%0.35SS*.Hα-helixtrans-67.6-49.5179.4-166.5-93000111.7R589 A594 R595R589-F591 PolarHBondContact O-N 3.36Å; F591-A594 PolarHBondContact O-N 3.33Å; F591-R595 PolarHBondContact O-N 3.26Å
592D63.5Low73.3Confident75 Ų7573.9 Ų73.940%0.40137%0.374SS..Hα-helixtrans-65.4-43.4-178.6-56-43.5000111.7R589 R595 I596R589-D592 PolarHBondContact O-N 3.1Å; D592-R595 WeakPolarHBondContact O-CB 3.32Å; D592-R595 PolarHBondContact O-N 2.64Å; D592-I596 WeakPolarHBondContact O-CG1 3.38Å; D592-I596 PolarHBondContact O-N 3.18Å
593V71.1Confident72.6Confident10 Ų1080.1 Ų80.16%0.06140%0.395CS..Hα-helixtrans-67.4-41.2178.91760000111.1Y581 L582 Y585 R589 R595 I596 V597Y581-V593 HydrophobicContact CD1-CG1 3.42Å; Y581-V593 VanDerWaalsContact CD1-CG1 3.42Å; Y581-V593 HydrophobicContact CE1-CG1 3.6Å; L582-V593 HydrophobicContact CD2-CB 3.84Å; L582-V593 HydrophobicContact CD2-CG1 3.79Å; Y585-V593 HydrophobicContact CD1-CG2 3.97Å; Y585-V593 HydrophobicContact CD2-CB 4.47Å; Y585-V593 HydrophobicContact CD2-CG1 3.84Å; Y585-V593 HydrophobicContact CD2-CG2 3.95Å; Y585-V593 HydrophobicContact CE1-CG2 4.26Å; Y585-V593 HydrophobicContact CE2-CG1 3.98Å; Y585-V593 HydrophobicContact CE2-CG2 4.24Å; Y585-V593 HydrophobicContact CG-CG1 4.49Å; Y585-V593 HydrophobicContact CG-CG2 3.8Å; R589-V593 HydrophobicContact CB-CG2 4.33Å; R589-V593 WeakPolarHBondContact O-CB 3.37Å; R589-V593 VanDerWaalsContact O-CG2 3.3Å; R589-V593 WeakPolarHBondContact O-CG2 3.43Å; R589-V593 PolarHBondContact O-N 3.3Å; R589-V593 VanDerWaalsContact O-N 3.07Å; V593-R595 VanDerWaalsContact C-N 3.28Å; V593-R595 PolarHBondContact O-N 3.5Å; V593-I596 PolarHBondContact O-N 2.99Å; V593-V597 HydrophobicContact CG1-CG2 4.36Å; V593-V597 WeakPolarHBondContact O-CG2 3.49Å; V593-V597 PolarHBondContact O-N 2.82Å
594A72.1Confident71.8Confident22 Ų2277.1 Ų77.118%0.18237%0.372CS..Hα-helixtrans-60.7-38.8175.100000111.7L582 H590 F591 V597 I598L582-A594 HydrophobicContact CD1-CB 4.48Å; L582-A594 HydrophobicContact CD2-CB 4.31Å; H590-A594 WeakPolarHBondContact O-CB 3.45Å; H590-A594 PolarHBondContact O-N 3.07Å; F591-A594 PolarHBondContact O-N 3.33Å; A594-V597 PolarHBondContact O-N 2.86Å; A594-I598 WeakPolarHBondContact O-CD1 3.48Å; A594-I598 VanDerWaalsContact O-CG1 3.26Å; A594-I598 WeakPolarHBondContact O-CG1 3.37Å; A594-I598 PolarHBondContact O-N 2.87Å
595R70.7Confident70.7Confident120 Ų12072.2 Ų72.245%0.45335%0.354SS..Hα-helixtrans-58.4-47.4174.3-170.8-176.984.2143.8-0.4111.6F591 D592 V593 I598 D599F591-R595 PolarHBondContact O-N 3.26Å; D592-R595 WeakPolarHBondContact O-CB 3.32Å; D592-R595 PolarHBondContact O-N 2.64Å; V593-R595 VanDerWaalsContact C-N 3.28Å; V593-R595 PolarHBondContact O-N 3.5Å; R595-I598 PolarHBondContact O-N 3.35Å; R595-D599 WeakPolarHBondContact O-CB 3.45Å; R595-D599 PolarHBondContact O-N 3.27Å
596I70.6Confident69.6Low20 Ų2074 Ų7410%0.10337%0.369CS..Hα-helixtrans-65.1-40.9-179.2-59.5166.7000111F547 I550 L554 D592 V593 D599 Q600F547-I596 HydrophobicContact CE1-CD1 3.79Å; F547-I596 HydrophobicContact CE1-CG1 4.15Å; F547-I596 HydrophobicContact CZ-CD1 4.15Å; I550-I596 HydrophobicContact CG2-CG2 4.02Å; L554-I596 HydrophobicContact CD1-CB 4.37Å; L554-I596 HydrophobicContact CD1-CG2 3.6Å; D592-I596 WeakPolarHBondContact O-CG1 3.38Å; D592-I596 PolarHBondContact O-N 3.18Å; V593-I596 PolarHBondContact O-N 2.99Å; I596-D599 PolarHBondContact O-N 3.44Å; I596-Q600 PolarHBondContact O-N 2.84Å
597V73.1Confident68.3Low0 Ų072.7 Ų72.70%037%0.366CS..Hα-helixtrans-61.5-45.6177.1179.30000111.1L554 V577 V578 Y581 V593 A594 Q600 A601L554-V597 HydrophobicContact CD1-CG2 4.19Å; L554-V597 HydrophobicContact CD2-CB 4.04Å; L554-V597 HydrophobicContact CD2-CG1 4.05Å; L554-V597 HydrophobicContact CD2-CG2 3.49Å; L554-V597 VanDerWaalsContact CD2-CG2 3.49Å; V577-V597 HydrophobicContact CG1-CG1 4.26Å; V578-V597 HydrophobicContact CG2-CB 4.3Å; V578-V597 HydrophobicContact CG2-CG1 3.62Å; Y581-V597 HydrophobicContact CD1-CG2 3.51Å; Y581-V597 HydrophobicContact CE1-CG2 4.16Å; Y581-V597 HydrophobicContact CG-CG2 4.19Å; V593-V597 HydrophobicContact CG1-CG2 4.36Å; V593-V597 WeakPolarHBondContact O-CG2 3.49Å; V593-V597 PolarHBondContact O-N 2.82Å; A594-V597 PolarHBondContact O-N 2.86Å; V597-Q600 PolarHBondContact O-N 2.86Å; V597-A601 VanDerWaalsContact O-CB 3.31Å; V597-A601 WeakPolarHBondContact O-CB 3.32Å; V597-A601 PolarHBondContact O-N 3.44Å
598I69.7Low67.1Low88 Ų8865.9 Ų65.945%0.45134%0.343SS..Hα-helixtrans-65.5-44.8179.2-67.5166.4000110.5L574 A594 R595 Q600 A601 V602L574-I598 HydrophobicContact CD2-CG1 4.35Å; A594-I598 WeakPolarHBondContact O-CD1 3.48Å; A594-I598 VanDerWaalsContact O-CG1 3.26Å; A594-I598 WeakPolarHBondContact O-CG1 3.37Å; A594-I598 PolarHBondContact O-N 2.87Å; R595-I598 PolarHBondContact O-N 3.35Å; I598-Q600 PolarHBondContact O-N 2.82Å; I598-A601 PolarHBondContact O-N 3.42Å; I598-V602 HydrophobicContact CG2-CG2 4.4Å; I598-V602 WeakPolarHBondContact O-CG2 3.49Å; I598-V602 PolarHBondContact O-N 2.92Å
599D68.5Low66Low77 Ų7762.4 Ų62.441%0.41232%0.315SS..Hα-helixtrans-58.2-45.9176.8-175.652.8000111.7R551 R595 I596 R603R551-D599 IonicContact NH1-OD2 3.04Å; R551-D599 PolarHBondContact NH1-OD2 2.73Å; R595-D599 WeakPolarHBondContact O-CB 3.45Å; R595-D599 PolarHBondContact O-N 3.27Å; I596-D599 PolarHBondContact O-N 3.44Å; D599-R603 WeakPolarHBondContact O-CB 3.31Å; D599-R603 PolarHBondContact O-N 3.32Å
600Q70.3Confident64.9Low11 Ų1162.5 Ų62.55%0.05133%0.325CS..Hα-helixtrans-65.8-39.7175.2-71.5-43.5-65.800113.2R551 L554 I558 I596 V597 I598 R603 L604R551-Q600 HydrophobicContact CG-CG 4.24Å; L554-Q600 HydrophobicContact CB-CB 4.31Å; L554-Q600 HydrophobicContact CB-CG 4.11Å; L554-Q600 HydrophobicContact CD1-CG 4.33Å; I558-Q600 HydrophobicContact CD1-CB 3.99Å; I596-Q600 PolarHBondContact O-N 2.84Å; V597-Q600 PolarHBondContact O-N 2.86Å; I598-Q600 PolarHBondContact O-N 2.82Å; Q600-R603 PolarHBondContact O-N 3.3Å; Q600-L604 WeakPolarHBondContact O-CB 3.23Å; Q600-L604 WeakPolarHBondContact O-CD1 3.38Å; Q600-L604 WeakPolarHBondContact O-CG 3.45Å; Q600-L604 PolarHBondContact O-N 3.19Å
601A68.7Low63.6Low2 Ų268.6 Ų68.62%0.01735%0.351CS..Hα-helixtrans-63.8-4217800000112.6I558 L574 V597 I598 G605 W618I558-A601 HydrophobicContact CD1-CB 4.09Å; L574-A601 HydrophobicContact CD1-CB 3.46Å; L574-A601 VanDerWaalsContact CD1-CB 3.46Å; L574-A601 HydrophobicContact CD2-CB 4.29Å; L574-A601 HydrophobicContact CG-CB 4.49Å; V597-A601 VanDerWaalsContact O-CB 3.31Å; V597-A601 WeakPolarHBondContact O-CB 3.32Å; V597-A601 PolarHBondContact O-N 3.44Å; I598-A601 PolarHBondContact O-N 3.42Å; A601-G605 PolarHBondContact O-N 2.95Å; A601-W618 HydrophobicContact CB-CH2 4.01Å
602V65.8Low62.7Low85 Ų8565.7 Ų65.752%0.51535%0.347SS..Hα-helixtrans-62.9-48.1174172.30000109.9I598 L604 G605 V606I598-V602 HydrophobicContact CG2-CG2 4.4Å; I598-V602 WeakPolarHBondContact O-CG2 3.49Å; I598-V602 PolarHBondContact O-N 2.92Å; V602-L604 PolarHBondContact O-N 3.1Å; V602-G605 PolarHBondContact O-N 2.73Å; V602-V606 VanDerWaalsContact O-CG2 3.27Å; V602-V606 WeakPolarHBondContact O-CG2 3.45Å; V602-V606 PolarHBondContact O-N 3.08Å
603R66.8Low61.8Low156 Ų15665.4 Ų65.459%0.58936%0.362SS*.Hα-helixtrans-60.6-44.6-178.8-158.6177.3-166.4-175.66.7112.9D599 Q600 A607D599-R603 WeakPolarHBondContact O-CB 3.31Å; D599-R603 PolarHBondContact O-N 3.32Å; Q600-R603 PolarHBondContact O-N 3.3Å; R603-A607 VanDerWaalsContact O-CB 3.28Å; R603-A607 WeakPolarHBondContact O-CB 3.46Å; R603-A607 PolarHBondContact O-N 3.02Å
604L66.7Low60.9Low29 Ų2971.6 Ų71.615%0.15239%0.394CS..Hα-helixtrans-73.3-34.6179.2-69.7162.4000112.7A555 I558 L562 Q600 V602 V606 Q608A555-L604 HydrophobicContact CB-CD1 4.03Å; A555-L604 HydrophobicContact CB-CD2 4.48Å; I558-L604 HydrophobicContact CB-CD1 3.73Å; I558-L604 HydrophobicContact CD1-CD1 3.98Å; I558-L604 HydrophobicContact CG1-CD1 4.46Å; I558-L604 HydrophobicContact CG2-CB 4.21Å; I558-L604 HydrophobicContact CG2-CD1 3.63Å; L562-L604 HydrophobicContact CD1-CB 4.48Å; Q600-L604 WeakPolarHBondContact O-CB 3.23Å; Q600-L604 WeakPolarHBondContact O-CD1 3.38Å; Q600-L604 WeakPolarHBondContact O-CG 3.45Å; Q600-L604 PolarHBondContact O-N 3.19Å; V602-L604 PolarHBondContact O-N 3.1Å; L604-V606 VanDerWaalsContact C-N 3.32Å; L604-Q608 PolarHBondContact O-N 3.21Å
605G61.2Low60.2Low19 Ų1975.2 Ų75.220%0.19642%0.415CS..Hα-helixtrans-66.2-32.317500000113.3A601 V602 A609A601-G605 PolarHBondContact O-N 2.95Å; V602-G605 PolarHBondContact O-N 2.73Å; G605-A609 WeakPolarHBondContact O-CB 3.17Å
606V54.7Low59.6Low82 Ų8270.2 Ų70.250%0.49740%0.4SS..Hα-helixtrans-81.7-49176.3176.90000111.1V602 L604 Q608 A609 D610V602-V606 VanDerWaalsContact O-CG2 3.27Å; V602-V606 WeakPolarHBondContact O-CG2 3.45Å; V602-V606 PolarHBondContact O-N 3.08Å; L604-V606 VanDerWaalsContact C-N 3.32Å; V606-Q608 PolarHBondContact O-N 2.94Å; V606-A609 PolarHBondContact O-N 3.28Å; V606-A609 VanDerWaalsContact O-N 3.15Å; V606-D610 PolarHBondContact O-N 2.87Å
607A52.8Low59Low59 Ų5976.8 Ų76.849%0.48843%0.428SS..Hα-helixtrans-66.7-26.5-170.900000115.6R603R603-A607 VanDerWaalsContact O-CB 3.28Å; R603-A607 WeakPolarHBondContact O-CB 3.46Å; R603-A607 PolarHBondContact O-N 3.02Å
608Q50.8Low58.5Low80 Ų8081.7 Ų81.737%0.37445%0.447SS..THydrogen-bonded Turntrans-89.9-20.9174.1-84.6-169.49.700113.7L604 V606L604-Q608 PolarHBondContact O-N 3.21Å; V606-Q608 PolarHBondContact O-N 2.94Å
609A50.4Low58Low23 Ų2382.2 Ų82.219%0.1945%0.447CS..G310 helixtrans-82.5-20.7-176.600000113.4G605 V606 F611 T612 G613G605-A609 WeakPolarHBondContact O-CB 3.17Å; V606-A609 PolarHBondContact O-N 3.28Å; V606-A609 VanDerWaalsContact O-N 3.15Å; A609-F611 PolarHBondContact O-N 3.12Å; A609-T612 PolarHBondContact O-N 3.28Å; A609-G613 PolarHBondContact O-N 3.05Å; A609-G613 VanDerWaalsContact O-N 3.14Å
610D46.8Very low57.4Low126 Ų12682.7 Ų82.767%0.67445%0.454SS*.G310 helixtrans-59.8-13.7177.2-75.2-21000114.1V606V606-D610 PolarHBondContact O-N 2.87Å
611F50.9Low56.7Low187 Ų18787.9 Ų87.982%0.8248%0.481SS*.G310 helixtrans-99.6-9.4176.7-73.4-79.9000115.3A609A609-F611 PolarHBondContact O-N 3.12Å
612T51.5Low56.2Low109 Ų10991.9 Ų91.967%0.66950%0.502SS*.THydrogen-bonded Turntrans-140.1-0.1-173.355.40000116.7A609 L614A609-T612 PolarHBondContact O-N 3.28Å; T612-L614 VanDerWaalsContact C-N 3.26Å; T612-L614 PolarHBondContact O-N 3.47Å; T612-L614 VanDerWaalsContact O-N 3.15Å
613G45.8Very low55.9Low69 Ų6994.3 Ų94.371%0.71151%0.512SS*.SBendtrans68.512.8165.500000116.6A609A609-G613 PolarHBondContact O-N 3.05Å; A609-G613 VanDerWaalsContact O-N 3.14Å
614L52.1Low55.7Low139 Ų13990.4 Ų90.473%0.72850%0.498SS*.  trans-129.4114.9173.7-74.8167.6000109.8T612T612-L614 VanDerWaalsContact C-N 3.26Å; T612-L614 PolarHBondContact O-N 3.47Å; T612-L614 VanDerWaalsContact O-N 3.15Å
615P55.7Low55.7Low98 Ų9890.4 Ų90.464%0.63651%0.505SS*.  trans-64.9146.3176.225.9-32.1000110.8K617P615-K617 PolarHBondContact O-N 3.48Å
616A58.2Low56.1Low16 Ų1692.5 Ų92.513%0.13252%0.52CS..  trans-61.3130.7170.500000109.8Y565 W618Y565-A616 HydrophobicContact CD1-CB 4.42Å; Y565-A616 HydrophobicContact CE1-CB 4.05Å; A616-W618 PolarHBondContact O-N 3.21Å
617K58.6Low57.4Low157 Ų15792.9 Ų92.968%0.68352%0.515SS*.  trans-73.8113.6173.6-82.9-173.3175.5-178.10109.6Y565 P571 L572 P615Y565-K617 PolarHBondContact OH-N 2.99Å; P571-K617 VanDerWaalsContact CA-O 3.28Å; P571-K617 WeakPolarHBondContact CA-O 3.46Å; P571-K617 VanDerWaalsContact CB-O 3.31Å; P571-K617 WeakPolarHBondContact CB-O 3.33Å; L572-K617 PolarHBondContact N-O 3.04Å; P615-K617 PolarHBondContact O-N 3.48Å
618W62.9Low58.9Low104 Ų10490.7 Ų90.739%0.39450%0.495SS..BIsolated β-bridgetrans-78.8143.6171.4-57.296000110.9L572 L574 A601 A616L572-W618 HydrophobicContact CB-CE3 4.2Å; L572-W618 HydrophobicContact CB-CZ3 4.27Å; L572-W618 HydrophobicContact CD2-CE3 4.09Å; L572-W618 HydrophobicContact CD2-CH2 4.23Å; L572-W618 HydrophobicContact CD2-CZ3 3.39Å; L572-W618 HydrophobicContact CG-CZ3 4.44Å; L574-W618 HydrophobicContact CB-CE3 4.35Å; L574-W618 HydrophobicContact CB-CZ3 4.43Å; L574-W618 HydrophobicContact CD1-CE3 3.9Å; L574-W618 HydrophobicContact CD1-CH2 3.92Å; L574-W618 HydrophobicContact CD1-CZ3 3.2Å; L574-W618 HydrophobicContact CG-CZ3 4.36Å; A601-W618 HydrophobicContact CB-CH2 4.01Å; A616-W618 PolarHBondContact O-N 3.21Å
619Q59.2Low60.3Low98 Ų9889.5 Ų89.546%0.45850%0.499SS..PPolyproline II helixtrans-77.4124.9165.5-171.8172.7-13.900109P571 L572 I621P571-Q619 HydrophobicContact CB-CB 4.31Å; L572-Q619 PolarHBondContact O-N 3.38Å; Q619-I621 PolarHBondContact O-N 3.44Å
620P54.7Low62Low87 Ų8793.4 Ų93.457%0.56551%0.513SS*.PPolyproline II helixtrans-61.6130.2173.922.8-29.8000109.7N622P620-N622 PolarHBondContact O-N 3.14Å
621I56.9Low64Low121 Ų12187.4 Ų87.462%0.62148%0.481SS*.SBendtrans-61.7-30.1-177.7-64.3173.9000110.7Q619Q619-I621 PolarHBondContact O-N 3.44Å
622N56.9Low65.8Low85 Ų8581.5 Ų81.546%0.45546%0.458SS..  trans-177.8155.1160.549.324000109.9P620 Y624 G625P620-N622 PolarHBondContact O-N 3.14Å; N622-Y624 PolarHBondContact O-N 3.45Å; N622-G625 PolarHBondContact O-N 3.26Å; N622-G625 WeakPolarHBondContact OD1-CA 3.42Å; N622-G625 PolarHBondContact OD1-N 2.57Å
623D59.6Low67.5Low136 Ų13680.2 Ų80.273%0.72746%0.458SS*.Hα-helixtrans-64.2-29.8176.6-71.4-28000112.6A626 K627D623-A626 PolarHBondContact O-N 3.35Å; D623-K627 PolarHBondContact O-N 2.82Å
624Y63.4Low69.5Low75 Ų7579 Ų7929%0.29444%0.436SS..Hα-helixtrans-59.9-47.8177.4174-92.2000112.8N622 A626 K627 L628 Y667 E670N622-Y624 PolarHBondContact O-N 3.45Å; Y624-A626 VanDerWaalsContact C-N 3.28Å; Y624-A626 PolarHBondContact O-N 3.39Å; Y624-K627 PolarHBondContact O-N 3.46Å; Y624-L628 HydrophobicContact CE1-CD2 4.15Å; Y624-L628 PolarHBondContact O-N 3.07Å; Y624-L628 VanDerWaalsContact O-N 3.11Å; Y624-Y667 AromaticContact CD2-CD1 3.93Å; Y624-Y667 HydrophobicContact CD2-CD1 3.93Å; Y624-Y667 HydrophobicContact CD2-CE1 4.23Å; Y624-Y667 HydrophobicContact CE2-CD1 4.06Å; Y624-E670 HydrophobicContact CE2-CB 4.42Å; Y624-E670 HydrophobicContact CE2-CG 4.46Å; Y624-E670 WeakPolarHBondContact CE2-OE2 3.46Å; Y624-E670 WeakPolarHBondContact OH-CB 3.33Å; Y624-E670 PolarHBondContact OH-OE2 3.37Å
625G65.7Low71.3Confident28 Ų2878.1 Ų78.129%0.28944%0.438SS..Hα-helixtrans-64.9-32.9-17800000112.7N622 A629N622-G625 PolarHBondContact O-N 3.26Å; N622-G625 WeakPolarHBondContact OD1-CA 3.42Å; N622-G625 PolarHBondContact OD1-N 2.57Å; G625-A629 WeakPolarHBondContact O-CB 3.43Å; G625-A629 PolarHBondContact O-N 3.48Å
626A70.6Confident72.9Confident63 Ų6376.2 Ų76.252%0.52142%0.422SS..Hα-helixtrans-67.5-43.5178.900000112.4D623 Y624 Q630D623-A626 PolarHBondContact O-N 3.35Å; Y624-A626 VanDerWaalsContact C-N 3.28Å; Y624-A626 PolarHBondContact O-N 3.39Å; A626-Q630 WeakPolarHBondContact O-CB 3.42Å; A626-Q630 PolarHBondContact O-N 3.12Å
627K81.1Confident74.5Confident90 Ų9076.3 Ų76.339%0.39142%0.42SS..Hα-helixtrans-71.6-41.1178.9-80-75.2-179.4-1730112.8D623 Y624 Q630 A631 Y667D623-K627 PolarHBondContact O-N 2.82Å; Y624-K627 PolarHBondContact O-N 3.46Å; K627-Q630 WeakPolarHBondContact O-CB 3.26Å; K627-Q630 PolarHBondContact O-N 2.99Å; K627-A631 PolarHBondContact O-N 3.06Å; K627-Y667 HydrophobicContact CB-CD1 3.9Å; K627-Y667 HydrophobicContact CB-CD2 4.01Å; K627-Y667 HydrophobicContact CB-CE1 3.54Å; K627-Y667 HydrophobicContact CB-CE2 3.64Å; K627-Y667 HydrophobicContact CB-CG 4.13Å; K627-Y667 HydrophobicContact CD-CE2 4.23Å; K627-Y667 HydrophobicContact CG-CE1 4.22Å; K627-Y667 HydrophobicContact CG-CE2 4.04Å
628L85.1Confident76Confident14 Ų1472.8 Ų72.87%0.07341%0.413CS..Hα-helixtrans-63.6-44.3173.1179.860.5000110.9Y624 Q630 A631 L632 F671Y624-L628 HydrophobicContact CE1-CD2 4.15Å; Y624-L628 PolarHBondContact O-N 3.07Å; Y624-L628 VanDerWaalsContact O-N 3.11Å; L628-Q630 VanDerWaalsContact C-N 3.29Å; L628-Q630 PolarHBondContact O-N 2.93Å; L628-A631 WeakPolarHBondContact O-CB 3.36Å; L628-A631 PolarHBondContact O-N 3.47Å; L628-A631 VanDerWaalsContact O-N 3.11Å; L628-L632 HydrophobicContact CD1-CD1 4.19Å; L628-L632 HydrophobicContact CD1-CD2 4.38Å; L628-L632 HydrophobicContact CD1-CG 4.05Å; L628-L632 HydrophobicContact CG-CD1 3.94Å; L628-L632 HydrophobicContact CG-CG 4.24Å; L628-L632 VanDerWaalsContact O-CG 3.26Å; L628-L632 WeakPolarHBondContact O-CG 3.44Å; L628-L632 PolarHBondContact O-N 3.35Å; L628-F671 HydrophobicContact CD1-CB 4Å; L628-F671 HydrophobicContact CD1-CD2 4.35Å; L628-F671 HydrophobicContact CD1-CG 4.48Å
629A81Confident77.3Confident54 Ų5471.3 Ų71.345%0.44642%0.423SS..Hα-helixtrans-60.9-38.5175.400000112G625 A631 L632 A633G625-A629 WeakPolarHBondContact O-CB 3.43Å; G625-A629 PolarHBondContact O-N 3.48Å; A629-A631 VanDerWaalsContact C-N 3.35Å; A629-L632 PolarHBondContact O-N 3.11Å; A629-A633 WeakPolarHBondContact O-CB 3.47Å; A629-A633 PolarHBondContact O-N 3.42Å
630Q86.2Confident78.9Confident105 Ų10566.7 Ų66.749%0.49140%0.401SS..Hα-helixtrans-61.1-42.1173.1-173.7-17814.200111.9A626 K627 L628 N634 F664A626-Q630 WeakPolarHBondContact O-CB 3.42Å; A626-Q630 PolarHBondContact O-N 3.12Å; K627-Q630 WeakPolarHBondContact O-CB 3.26Å; K627-Q630 PolarHBondContact O-N 2.99Å; L628-Q630 VanDerWaalsContact C-N 3.29Å; L628-Q630 PolarHBondContact O-N 2.93Å; Q630-N634 PolarHBondContact O-N 3.38Å; Q630-F664 HydrophobicContact CB-CE1 4.31Å; Q630-F664 HydrophobicContact CG-CE1 4.18Å; Q630-F664 HydrophobicContact CG-CZ 4.06Å
631A88.2Confident80.7Confident0 Ų063.5 Ų63.50%038%0.379CS..Hα-helixtrans-64.9-47.5176.200000111.6K627 L628 A629 A633 N634 F637 F660 F664 L668K627-A631 PolarHBondContact O-N 3.06Å; L628-A631 WeakPolarHBondContact O-CB 3.36Å; L628-A631 PolarHBondContact O-N 3.47Å; L628-A631 VanDerWaalsContact O-N 3.11Å; A629-A631 VanDerWaalsContact C-N 3.35Å; A631-A633 VanDerWaalsContact C-N 3.3Å; A631-A633 PolarHBondContact O-N 3.01Å; A631-N634 WeakPolarHBondContact O-CB 3.44Å; A631-N634 PolarHBondContact O-N 3.31Å; A631-N634 VanDerWaalsContact O-N 3.12Å; A631-F637 WeakPolarHBondContact O-CB 3.35Å; A631-F660 HydrophobicContact CB-CE2 4.47Å; A631-F660 HydrophobicContact CB-CZ 4.2Å; A631-F660 WeakPolarHBondContact O-CZ 3.37Å; A631-F664 HydrophobicContact CB-CB 3.86Å; A631-F664 HydrophobicContact CB-CD1 3.53Å; A631-F664 HydrophobicContact CB-CD2 4.04Å; A631-F664 HydrophobicContact CB-CE1 4.01Å; A631-F664 HydrophobicContact CB-CE2 4.48Å; A631-F664 HydrophobicContact CB-CG 3.54Å; A631-F664 HydrophobicContact CB-CZ 4.46Å; A631-L668 HydrophobicContact CB-CD2 4.36Å
632L89Confident82.4Confident63 Ų6360.6 Ų60.633%0.3337%0.37SS..Hα-helixtrans-67.2-30.3-179.1-64176.4000112.8L628 A629 N634 F637 F671L628-L632 HydrophobicContact CD1-CD1 4.19Å; L628-L632 HydrophobicContact CD1-CD2 4.38Å; L628-L632 HydrophobicContact CD1-CG 4.05Å; L628-L632 HydrophobicContact CG-CD1 3.94Å; L628-L632 HydrophobicContact CG-CG 4.24Å; L628-L632 VanDerWaalsContact O-CG 3.26Å; L628-L632 WeakPolarHBondContact O-CG 3.44Å; L628-L632 PolarHBondContact O-N 3.35Å; A629-L632 PolarHBondContact O-N 3.11Å; L632-N634 VanDerWaalsContact C-N 3.3Å; L632-F637 HydrophobicContact CB-CD1 4.47Å; L632-F637 HydrophobicContact CD2-CD1 3.81Å; L632-F637 HydrophobicContact CD2-CD2 4.44Å; L632-F637 HydrophobicContact CD2-CE1 3.21Å; L632-F637 HydrophobicContact CD2-CE2 3.93Å; L632-F637 HydrophobicContact CD2-CG 4.4Å; L632-F637 HydrophobicContact CD2-CZ 3.28Å; L632-F637 HydrophobicContact CG-CE1 4.46Å; L632-F671 HydrophobicContact CD1-CD2 4.49Å; L632-F671 HydrophobicContact CD1-CE2 4.4Å; L632-F671 HydrophobicContact CD2-CD2 3.93Å; L632-F671 HydrophobicContact CD2-CE2 3.69Å; L632-F671 HydrophobicContact CD2-CZ 4.11Å
633A85.7Confident84Confident82 Ų8257.5 Ų57.568%0.67836%0.356SS*.THydrogen-bonded Turntrans-82.4-4.3175.300000113.3A629 A631A629-A633 WeakPolarHBondContact O-CB 3.47Å; A629-A633 PolarHBondContact O-N 3.42Å; A631-A633 VanDerWaalsContact C-N 3.3Å; A631-A633 PolarHBondContact O-N 3.01Å
634N88.5Confident85.7Confident44 Ų4451 Ų5124%0.23532%0.322CS..SBendtrans-69.7132.4177-170.5-56.1000110Q630 A631 L632 L636 F637 F660Q630-N634 PolarHBondContact O-N 3.38Å; A631-N634 WeakPolarHBondContact O-CB 3.44Å; A631-N634 PolarHBondContact O-N 3.31Å; A631-N634 VanDerWaalsContact O-N 3.12Å; L632-N634 VanDerWaalsContact C-N 3.3Å; N634-L636 PolarHBondContact O-N 3.41Å; N634-L636 WeakPolarHBondContact OD1-CB 3.27Å; N634-L636 PolarHBondContact OD1-N 3.35Å; N634-F637 WeakPolarHBondContact O-CB 3.35Å; N634-F637 PolarHBondContact O-N 3.11Å; N634-F660 HydrophobicContact CB-CD2 4.09Å; N634-F660 HydrophobicContact CB-CE2 3.4Å; N634-F660 VanDerWaalsContact CB-CE2 3.4Å; N634-F660 HydrophobicContact CB-CZ 4.17Å; N634-F660 WeakPolarHBondContact ND2-CD2 3.3Å
635P90.1Very high87.1Confident120 Ų12049.9 Ų49.978%0.77932%0.317SS*.THydrogen-bonded Turntrans-55.2-26.3179-27.235000115.1
636L89.7Confident88.3Confident59 Ų5949.3 Ų49.331%0.30931%0.309SS..THydrogen-bonded Turntrans-74.4-28.4178.4-64.4172.9000112.8N634 A639 L640 D656 F660N634-L636 PolarHBondContact O-N 3.41Å; N634-L636 WeakPolarHBondContact OD1-CB 3.27Å; N634-L636 PolarHBondContact OD1-N 3.35Å; L636-A639 PolarHBondContact O-N 3.42Å; L636-L640 VanDerWaalsContact O-CB 3.26Å; L636-L640 WeakPolarHBondContact O-CB 3.4Å; L636-L640 PolarHBondContact O-N 2.97Å; L636-D656 HydrophobicContact CD1-CB 4.04Å; L636-D656 HydrophobicContact CD2-CB 4.49Å; L636-F660 HydrophobicContact CD1-CB 4.19Å
637F92.4Very high89.3Confident17 Ų1746.4 Ų46.48%0.07529%0.285CS..Hα-helixtrans-59.6-45.5-168.2176.3-103.8000114.2A631 L632 N634 A639 L640 D641 F660 L668 F671A631-F637 WeakPolarHBondContact O-CB 3.35Å; L632-F637 HydrophobicContact CB-CD1 4.47Å; L632-F637 HydrophobicContact CD2-CD1 3.81Å; L632-F637 HydrophobicContact CD2-CD2 4.44Å; L632-F637 HydrophobicContact CD2-CE1 3.21Å; L632-F637 HydrophobicContact CD2-CE2 3.93Å; L632-F637 HydrophobicContact CD2-CG 4.4Å; L632-F637 HydrophobicContact CD2-CZ 3.28Å; L632-F637 HydrophobicContact CG-CE1 4.46Å; N634-F637 WeakPolarHBondContact O-CB 3.35Å; N634-F637 PolarHBondContact O-N 3.11Å; F637-A639 PolarHBondContact O-N 3.29Å; F637-L640 PolarHBondContact O-N 2.93Å; F637-D641 HydrophobicContact CE1-CB 4.29Å; F637-D641 HydrophobicContact CE2-CB 4.08Å; F637-D641 HydrophobicContact CZ-CB 3.92Å; F637-D641 VanDerWaalsContact O-CB 3.24Å; F637-D641 WeakPolarHBondContact O-CB 3.49Å; F637-D641 PolarHBondContact O-N 3.38Å; F637-F660 HydrophobicContact CB-CE1 4.36Å; F637-F660 HydrophobicContact CB-CZ 3.91Å; F637-F660 HydrophobicContact CD2-CE1 4.07Å; F637-F660 HydrophobicContact CD2-CZ 4.05Å; F637-F660 HydrophobicContact CG-CZ 4.41Å; F637-L668 HydrophobicContact CD2-CD2 4.19Å; F637-L668 HydrophobicContact CE2-CD2 3.79Å; F637-F671 HydrophobicContact CE1-CZ 4.44Å; F637-F671 HydrophobicContact CE2-CE1 4.37Å; F637-F671 HydrophobicContact CZ-CD1 4.3Å; F637-F671 AromaticContact CZ-CE1 3.69Å; F637-F671 HydrophobicContact CZ-CE1 3.69Å; F637-F671 HydrophobicContact CZ-CE2 4.5Å; F637-F671 AromaticContact CZ-CZ 3.79Å; F637-F671 HydrophobicContact CZ-CZ 3.79Å
638P89.6Confident89.9Confident83 Ų8343.9 Ų43.954%0.53927%0.273SS..Hα-helixtrans-62.3-44.2-176.6-22.933.6000113.3S642P638-S642 WeakPolarHBondContact O-CB 3.28Å; P638-S642 PolarHBondContact O-N 3.29Å; P638-S642 VanDerWaalsContact O-N 3.12Å
639A89.3Confident90.5Very high73 Ų7343.3 Ų43.360%0.60327%0.27SS*.Hα-helixtrans-68.4-42.2178.800000111.3L636 F637 A643L636-A639 PolarHBondContact O-N 3.42Å; F637-A639 PolarHBondContact O-N 3.29Å; A639-A643 WeakPolarHBondContact O-CB 3.49Å; A639-A643 PolarHBondContact O-N 3.28Å
640L93.1Very high91.2Very high2 Ų240.8 Ų40.81%0.0125%0.248CC..Hα-helixtrans-64.5-42.8176.6177.361.3000112.4L636 F637 A643 L644 I650 N657 F660 L661L636-L640 VanDerWaalsContact O-CB 3.26Å; L636-L640 WeakPolarHBondContact O-CB 3.4Å; L636-L640 PolarHBondContact O-N 2.97Å; F637-L640 PolarHBondContact O-N 2.93Å; L640-A643 WeakPolarHBondContact O-CB 3.41Å; L640-A643 PolarHBondContact O-N 3.43Å; L640-L644 HydrophobicContact CD1-CD1 4.14Å; L640-L644 HydrophobicContact CD1-CG 4.19Å; L640-L644 HydrophobicContact CG-CD1 4.02Å; L640-L644 HydrophobicContact CG-CG 4.49Å; L640-L644 WeakPolarHBondContact O-CB 3.26Å; L640-L644 WeakPolarHBondContact O-CG 3.39Å; L640-L644 PolarHBondContact O-N 3.4Å; L640-I650 HydrophobicContact CD1-CD1 3.93Å; L640-I650 HydrophobicContact CD1-CG1 3.88Å; L640-N657 HydrophobicContact CD1-CB 3.98Å; L640-F660 HydrophobicContact CD2-CD1 3.28Å; L640-F660 HydrophobicContact CD2-CE1 3.63Å; L640-F660 HydrophobicContact CD2-CG 4.39Å; L640-L661 HydrophobicContact CD1-CD1 4.28Å; L640-L661 HydrophobicContact CD2-CD1 4.38Å; L640-L661 HydrophobicContact CD2-CD2 3.88Å; L640-L661 HydrophobicContact CD2-CG 3.85Å
641D93.5Very high91.5Very high19 Ų1936 Ų3610%0.10223%0.228CC..Hα-helixtrans-61.3-47.9177.8-175.232.5000110.5F637 A643 L644 R645 Y672F637-D641 HydrophobicContact CE1-CB 4.29Å; F637-D641 HydrophobicContact CE2-CB 4.08Å; F637-D641 HydrophobicContact CZ-CB 3.92Å; F637-D641 VanDerWaalsContact O-CB 3.24Å; F637-D641 WeakPolarHBondContact O-CB 3.49Å; F637-D641 PolarHBondContact O-N 3.38Å; D641-A643 VanDerWaalsContact C-N 3.31Å; D641-A643 PolarHBondContact O-N 3.12Å; D641-L644 PolarHBondContact O-N 2.9Å; D641-R645 VanDerWaalsContact CG-NE 3.28Å; D641-R645 WeakPolarHBondContact O-CB 3.35Å; D641-R645 VanDerWaalsContact O-CG 3.27Å; D641-R645 WeakPolarHBondContact O-CG 3.35Å; D641-R645 PolarHBondContact O-N 3.07Å; D641-R645 IonicContact OD1-CZ 3.42Å; D641-R645 IonicContact OD1-NE 3.5Å; D641-R645 PolarHBondContact OD1-NE 3.45Å; D641-R645 IonicContact OD1-NH2 3.32Å; D641-R645 IonicContact OD2-CZ 2.75Å; D641-R645 IonicContact OD2-NE 3.06Å; D641-R645 PolarHBondContact OD2-NE 3.04Å; D641-R645 IonicContact OD2-NH2 2.72Å; D641-R645 PolarHBondContact OD2-NH2 2.94Å; D641-Y672 WeakPolarHBondContact OD1-CE1 3.39Å; D641-Y672 PolarHBondContact OD1-OH 2.92Å
642S91.2Very high91.4Very high60 Ų6040.2 Ų40.242%0.4225%0.25SC..Hα-helixtrans-56.8-44.8174.5-174.20000111.9P638 S646P638-S642 WeakPolarHBondContact O-CB 3.28Å; P638-S642 PolarHBondContact O-N 3.29Å; P638-S642 VanDerWaalsContact O-N 3.12Å; S642-S646 WeakPolarHBondContact O-CB 3.46Å; S642-S646 PolarHBondContact O-N 3.46Å; S642-S646 PolarHBondContact O-OG 3.09Å
643A91.8Very high91.2Very high21 Ų2140.4 Ų40.417%0.17425%0.251CS..Hα-helixtrans-62.2-48.8177.300000112.3A639 L640 D641 S646 G647 R648A639-A643 WeakPolarHBondContact O-CB 3.49Å; A639-A643 PolarHBondContact O-N 3.28Å; L640-A643 WeakPolarHBondContact O-CB 3.41Å; L640-A643 PolarHBondContact O-N 3.43Å; D641-A643 VanDerWaalsContact C-N 3.31Å; D641-A643 PolarHBondContact O-N 3.12Å; A643-S646 CarbonylContact O-C 3.58Å; A643-S646 PolarHBondContact O-N 3.46Å; A643-S646 PolarHBondContact O-OG 3.26Å; A643-G647 PolarHBondContact O-N 3.31Å; A643-R648 HydrophobicContact CB-CB 4.1Å; A643-R648 WeakPolarHBondContact O-CB 3.42Å; A643-R648 PolarHBondContact O-N 2.96Å
644L94.1Very high91.4Very high0 Ų037.8 Ų37.80%023%0.225CC..Hα-helixtrans-60.9-45.6178.5-81.1171.8000112.2L640 D641 S646 G647 I650 L661 Y672 L679 L689L640-L644 HydrophobicContact CD1-CD1 4.14Å; L640-L644 HydrophobicContact CD1-CG 4.19Å; L640-L644 HydrophobicContact CG-CD1 4.02Å; L640-L644 HydrophobicContact CG-CG 4.49Å; L640-L644 WeakPolarHBondContact O-CB 3.26Å; L640-L644 WeakPolarHBondContact O-CG 3.39Å; L640-L644 PolarHBondContact O-N 3.4Å; D641-L644 PolarHBondContact O-N 2.9Å; L644-S646 PolarHBondContact O-N 3.15Å; L644-G647 PolarHBondContact O-N 3.14Å; L644-I650 HydrophobicContact CD2-CG1 3.91Å; L644-I650 HydrophobicContact CG-CG1 4.36Å; L644-L661 HydrophobicContact CD1-CD2 4.1Å; L644-Y672 HydrophobicContact CD1-CE2 4.1Å; L644-Y672 WeakPolarHBondContact CD1-OH 3.5Å; L644-L679 HydrophobicContact CD1-CD1 4.45Å; L644-L679 HydrophobicContact CD2-CD1 4.46Å; L644-L689 HydrophobicContact CB-CD1 3.91Å; L644-L689 HydrophobicContact CB-CG 3.99Å; L644-L689 HydrophobicContact CD2-CG 4.42Å
645R93.1Very high91.4Very high51 Ų5142 Ų4219%0.19225%0.247CC..Hα-helixtrans-65.5-27.5177-67.1-172.6-165.9-1559.2112.9A514 N515 A516 D641 G647 L689 I697A514-R645 CarbonylContact C-O 3.07Å; A514-R645 WeakPolarHBondContact CB-O 3.4Å; N515-R645 PolarHBondContact N-O 2.99Å; A516-R645 HydrophobicContact CB-CB 3.78Å; A516-R645 WeakPolarHBondContact CB-O 3.4Å; A516-R645 PolarHBondContact N-O 3.01Å; D641-R645 VanDerWaalsContact CG-NE 3.28Å; D641-R645 WeakPolarHBondContact O-CB 3.35Å; D641-R645 VanDerWaalsContact O-CG 3.27Å; D641-R645 WeakPolarHBondContact O-CG 3.35Å; D641-R645 PolarHBondContact O-N 3.07Å; D641-R645 IonicContact OD1-CZ 3.42Å; D641-R645 IonicContact OD1-NE 3.5Å; D641-R645 PolarHBondContact OD1-NE 3.45Å; D641-R645 IonicContact OD1-NH2 3.32Å; D641-R645 IonicContact OD2-CZ 2.75Å; D641-R645 IonicContact OD2-NE 3.06Å; D641-R645 PolarHBondContact OD2-NE 3.04Å; D641-R645 IonicContact OD2-NH2 2.72Å; D641-R645 PolarHBondContact OD2-NH2 2.94Å; R645-G647 PolarHBondContact O-N 2.94Å; R645-L689 HydrophobicContact CG-CD1 4.15Å; R645-I697 HydrophobicContact CG-CD1 3.86Å
646S90.2Very high91.5Very high16 Ų1642 Ų4211%0.11224%0.24CC..THydrogen-bonded Turntrans-80.43.7171.779.40000114.2A514 S642 A643 L644A514-S646 CarbonylContact O-C 3.54Å; S642-S646 WeakPolarHBondContact O-CB 3.46Å; S642-S646 PolarHBondContact O-N 3.46Å; S642-S646 PolarHBondContact O-OG 3.09Å; A643-S646 CarbonylContact O-C 3.58Å; A643-S646 PolarHBondContact O-N 3.46Å; A643-S646 PolarHBondContact O-OG 3.26Å; L644-S646 PolarHBondContact O-N 3.15Å
647G92.6Very high91.7Very high2 Ų240.8 Ų40.82%0.02123%0.234CC..THydrogen-bonded Turntrans87.212.7175.300000114.6A514 A643 L644 R645 H649 L779A514-G647 WeakPolarHBondContact O-CA 3.44Å; A514-G647 PolarHBondContact O-N 2.94Å; A643-G647 PolarHBondContact O-N 3.31Å; L644-G647 PolarHBondContact O-N 3.14Å; R645-G647 PolarHBondContact O-N 2.94Å; G647-H649 PolarHBondContact O-CE1 3.23Å; G647-H649 PolarHBondContact O-N 3.18Å; G647-H649 PolarHBondContact O-ND1 3.49Å; G647-L779 VanDerWaalsContact O-CD2 3.3Å; G647-L779 WeakPolarHBondContact O-CD2 3.37Å
648R94.7Very high91.8Very high36 Ų3640.8 Ų40.814%0.13623%0.234CC..  trans-67.2128.8175.7-169.9176.7-174.872.71.4110.2A643 I650 E654 R777 R778A643-R648 HydrophobicContact CB-CB 4.1Å; A643-R648 WeakPolarHBondContact O-CB 3.42Å; A643-R648 PolarHBondContact O-N 2.96Å; R648-I650 HydrophobicContact CB-CD1 4.38Å; R648-I650 HydrophobicContact CG-CD1 3.86Å; R648-E654 IonicContact CZ-OE1 3.25Å; R648-E654 IonicContact NE-OE1 3.52Å; R648-E654 PolarHBondContact NE-OE1 3Å; R648-E654 IonicContact NE-OE2 2.93Å; R648-E654 IonicContact NH2-OE1 2.76Å; R648-E654 PolarHBondContact NH2-OE1 2.96Å; R648-R777 PolarHBondContact NH1-O 3.44Å; R648-R778 PolarHBondContact NH1-O 3.1Å
649H96.2Very high92Very high3 Ų339.1 Ų39.11%0.01423%0.227CC..  trans-88.9126.7170.9-59.658.7000108G647 F686 F687 Y688 L779 M781 S797 R800G647-H649 PolarHBondContact O-CE1 3.23Å; G647-H649 PolarHBondContact O-N 3.18Å; G647-H649 PolarHBondContact O-ND1 3.49Å; H649-F686 HydrophobicContact CB-CD2 4.28Å; H649-F686 AromaticContact CD2-CE2 3.82Å; H649-F687 CarbonylContact C-O 3.58Å; H649-F687 VanDerWaalsContact CA-O 3.28Å; H649-F687 WeakPolarHBondContact CA-O 3.4Å; H649-Y688 VanDerWaalsContact CD2-CB 3.46Å; H649-Y688 WeakPolarHBondContact CD2-CB 3.42Å; H649-Y688 AromaticContact CD2-CG 3.71Å; H649-Y688 AromaticContact NE2-CG 3.87Å; H649-L779 WeakPolarHBondContact CB-O 3.42Å; H649-L779 PolarHBondContact N-O 3.38Å; H649-L779 PolarHBondContact ND1-O 3.06Å; H649-M781 HydrophobicContact CB-CE 4.46Å; H649-M781 VanDerWaalsContact CE1-CE 3.43Å; H649-M781 WeakPolarHBondContact CE1-CE 3.45Å; H649-M781 WeakPolarHBondContact ND1-CE 3.2Å; H649-S797 WeakPolarHBondContact CB-OG 3.48Å; H649-R800 WeakPolarHBondContact NE2-CD 3.31Å; H649-R800 PolarHBondContact NE2-NH1 3.19Å
650I95.9Very high92.3Very high0 Ų035.9 Ų35.90%020%0.199CC..BIsolated β-bridgetrans-101.9104.5-173.5-53.2-63.3000108.6L640 L644 R648 E654 N657 L661 F686 F687L640-I650 HydrophobicContact CD1-CD1 3.93Å; L640-I650 HydrophobicContact CD1-CG1 3.88Å; L644-I650 HydrophobicContact CD2-CG1 3.91Å; L644-I650 HydrophobicContact CG-CG1 4.36Å; R648-I650 HydrophobicContact CB-CD1 4.38Å; R648-I650 HydrophobicContact CG-CD1 3.86Å; I650-E654 WeakPolarHBondContact CD1-OE2 3.42Å; I650-E654 HydrophobicContact CG2-CB 4.35Å; I650-N657 HydrophobicContact CG2-CB 3.79Å; I650-L661 HydrophobicContact CB-CD1 3.96Å; I650-L661 HydrophobicContact CG1-CD1 4.18Å; I650-L661 HydrophobicContact CG2-CD1 3.94Å; I650-F686 CarbonylContact O-C 3.59Å; I650-F686 VanDerWaalsContact O-CA 3.25Å; I650-F686 WeakPolarHBondContact O-CA 3.47Å; I650-F686 WeakPolarHBondContact O-CB 3.27Å; I650-F687 HydrophobicContact CB-CB 4.45Å; I650-F687 PolarHBondContact N-O 3.3Å; I650-F687 PolarHBondContact O-N 3.43Å
651G92.1Very high92.4Very high5 Ų535.8 Ų35.85%0.05220%0.199CC..  trans-91.6178.9176.200000113.4D653 E654 E796G651-D653 PolarHBondContact O-N 2.93Å; G651-E654 PolarHBondContact O-N 3.49Å; G651-E796 WeakPolarHBondContact CA-OE1 3.41Å
652L87.9Confident92.4Very high89 Ų8938.3 Ų38.347%0.46621%0.211SC..THydrogen-bonded Turntrans-63-18.5174.8-67.6166.7000113.2E654 H658 E796L652-E654 PolarHBondContact O-N 3.39Å; L652-H658 VanDerWaalsContact CD2-CE1 3.47Å; L652-H658 WeakPolarHBondContact CD2-CE1 3.39Å; L652-E796 WeakPolarHBondContact CB-OE1 3.36Å; L652-E796 PolarHBondContact N-OE1 2.92Å
653D83.5Confident92.5Very high66 Ų6641.3 Ų41.335%0.35322%0.222SC..THydrogen-bonded Turntrans-69.5-19.5175.8-62.8-37.9000112.1K479 G651K479-D653 IonicContact NZ-OD1 3.15Å; K479-D653 PolarHBondContact NZ-OD1 3.29Å; G651-D653 PolarHBondContact O-N 2.93Å
654E89.9Confident92.6Very high27 Ų2741.2 Ų41.213%0.12622%0.218CC..SBendtrans-101.570.8172.7-64.9-179.7-147.200110.6R648 I650 G651 L652 D656 N657 H658 W783R648-E654 IonicContact CZ-OE1 3.25Å; R648-E654 IonicContact NE-OE1 3.52Å; R648-E654 PolarHBondContact NE-OE1 3Å; R648-E654 IonicContact NE-OE2 2.93Å; R648-E654 IonicContact NH2-OE1 2.76Å; R648-E654 PolarHBondContact NH2-OE1 2.96Å; I650-E654 WeakPolarHBondContact CD1-OE2 3.42Å; I650-E654 HydrophobicContact CG2-CB 4.35Å; G651-E654 PolarHBondContact O-N 3.49Å; L652-E654 PolarHBondContact O-N 3.39Å; E654-D656 PolarHBondContact O-N 3.25Å; E654-N657 HydrophobicContact CB-CB 4.08Å; E654-N657 PolarHBondContact O-N 3.41Å; E654-N657 VanDerWaalsContact O-N 3.17Å; E654-N657 PolarHBondContact OE2-ND2 3.38Å; E654-H658 WeakPolarHBondContact O-CB 3.43Å; E654-H658 PolarHBondContact O-N 3.02Å; E654-W783 HydrophobicContact CG-CZ2 3.77Å; E654-W783 WeakPolarHBondContact OE1-CZ2 3.39Å
655L88.8Confident92.6Very high134 Ų13443.4 Ų43.470%0.70223%0.228SC*.Hα-helixtrans-48.7-49.3-169.5-73.1116.2000114.2H658 A659L655-H658 PolarHBondContact O-N 3.34Å; L655-A659 WeakPolarHBondContact O-CB 3.17Å; L655-A659 PolarHBondContact O-N 3Å
656D92.5Very high92.5Very high118 Ų11847.2 Ų47.263%0.63125%0.248SC*.Hα-helixtrans-66.2-44.3-176.6-61.1-26.6000111.9L636 E654 F660L636-D656 HydrophobicContact CD1-CB 4.04Å; L636-D656 HydrophobicContact CD2-CB 4.49Å; E654-D656 PolarHBondContact O-N 3.25Å; D656-F660 VanDerWaalsContact O-CB 3.27Å; D656-F660 WeakPolarHBondContact O-CB 3.31Å; D656-F660 PolarHBondContact O-N 3.26Å
657N94.6Very high92.6Very high34 Ų3448.9 Ų48.918%0.18225%0.253CS..Hα-helixtrans-66.9-42.2177.7-71.8-22.9000111.4L640 I650 E654 F660 L661L640-N657 HydrophobicContact CD1-CB 3.98Å; I650-N657 HydrophobicContact CG2-CB 3.79Å; E654-N657 HydrophobicContact CB-CB 4.08Å; E654-N657 PolarHBondContact O-N 3.41Å; E654-N657 VanDerWaalsContact O-N 3.17Å; E654-N657 PolarHBondContact OE2-ND2 3.38Å; N657-F660 PolarHBondContact O-N 3.3Å; N657-L661 WeakPolarHBondContact O-CG 3.46Å; N657-L661 PolarHBondContact O-N 3.36Å
658H94.1Very high92.7Very high18 Ų1848.9 Ų48.98%0.08325%0.252CS..Hα-helixtrans-66.3-46.1179.5-170.6-79.9000111.5L652 E654 L655 F660 L661 M662 G685 F687L652-H658 VanDerWaalsContact CD2-CE1 3.47Å; L652-H658 WeakPolarHBondContact CD2-CE1 3.39Å; E654-H658 WeakPolarHBondContact O-CB 3.43Å; E654-H658 PolarHBondContact O-N 3.02Å; L655-H658 PolarHBondContact O-N 3.34Å; H658-F660 PolarHBondContact O-N 3.49Å; H658-L661 PolarHBondContact O-N 3.04Å; H658-M662 WeakPolarHBondContact O-CB 3.39Å; H658-M662 VanDerWaalsContact O-CG 3.31Å; H658-M662 WeakPolarHBondContact O-CG 3.27Å; H658-M662 PolarHBondContact O-N 2.94Å; H658-G685 PolarHBondContact NE2-O 2.98Å; H658-F687 AromaticContact NE2-CE2 3.73Å
659A93.7Very high92.7Very high47 Ų4750.7 Ų50.739%0.38826%0.262SS..Hα-helixtrans-61.3-43.7175.800000111.6L655 L661 M662 D663L655-A659 WeakPolarHBondContact O-CB 3.17Å; L655-A659 PolarHBondContact O-N 3Å; A659-L661 PolarHBondContact O-N 3.32Å; A659-M662 WeakPolarHBondContact O-CB 3.48Å; A659-M662 PolarHBondContact O-N 2.86Å; A659-D663 VanDerWaalsContact O-CG 3.32Å; A659-D663 PolarHBondContact O-N 3.25Å
660F95Very high92.4Very high6 Ų655 Ų553%0.02628%0.282CS..Hα-helixtrans-59.9-45.7175.4172.7-94.5000112.5A631 N634 L636 F637 L640 D656 N657 H658 M662 D663 F664 L668A631-F660 HydrophobicContact CB-CE2 4.47Å; A631-F660 HydrophobicContact CB-CZ 4.2Å; A631-F660 WeakPolarHBondContact O-CZ 3.37Å; N634-F660 HydrophobicContact CB-CD2 4.09Å; N634-F660 HydrophobicContact CB-CE2 3.4Å; N634-F660 VanDerWaalsContact CB-CE2 3.4Å; N634-F660 HydrophobicContact CB-CZ 4.17Å; N634-F660 WeakPolarHBondContact ND2-CD2 3.3Å; L636-F660 HydrophobicContact CD1-CB 4.19Å; F637-F660 HydrophobicContact CB-CE1 4.36Å; F637-F660 HydrophobicContact CB-CZ 3.91Å; F637-F660 HydrophobicContact CD2-CE1 4.07Å; F637-F660 HydrophobicContact CD2-CZ 4.05Å; F637-F660 HydrophobicContact CG-CZ 4.41Å; L640-F660 HydrophobicContact CD2-CD1 3.28Å; L640-F660 HydrophobicContact CD2-CE1 3.63Å; L640-F660 HydrophobicContact CD2-CG 4.39Å; D656-F660 VanDerWaalsContact O-CB 3.27Å; D656-F660 WeakPolarHBondContact O-CB 3.31Å; D656-F660 PolarHBondContact O-N 3.26Å; N657-F660 PolarHBondContact O-N 3.3Å; H658-F660 PolarHBondContact O-N 3.49Å; F660-M662 VanDerWaalsContact C-N 3.3Å; F660-M662 PolarHBondContact O-N 3.5Å; F660-D663 PolarHBondContact O-N 2.99Å; F660-F664 AromaticContact CD2-CD2 3.56Å; F660-F664 HydrophobicContact CD2-CD2 3.56Å; F660-F664 AromaticContact CD2-CE2 3.72Å; F660-F664 HydrophobicContact CD2-CE2 3.72Å; F660-F664 AromaticContact CE2-CD2 3.36Å; F660-F664 HydrophobicContact CE2-CD2 3.36Å; F660-F664 AromaticContact CE2-CE2 3.57Å; F660-F664 HydrophobicContact CE2-CE2 3.57Å; F660-F664 HydrophobicContact CE2-CG 4.36Å; F660-F664 HydrophobicContact CG-CD2 4.31Å; F660-F664 HydrophobicContact CZ-CD2 4.01Å; F660-F664 WeakPolarHBondContact O-CD2 3.28Å; F660-F664 PolarHBondContact O-N 2.91Å; F660-F664 VanDerWaalsContact O-N 3.13Å; F660-L668 HydrophobicContact CD1-CD1 4.4Å; F660-L668 HydrophobicContact CE1-CD1 3.72Å; F660-L668 HydrophobicContact CZ-CD1 4.29Å
661L95.6Very high92.2Very high0 Ų056 Ų560%029%0.286CS..Hα-helixtrans-63.6-37.1176.6-73.9173.1000112.1L640 L644 I650 N657 H658 A659 Q665 L668 L679 F687L640-L661 HydrophobicContact CD1-CD1 4.28Å; L640-L661 HydrophobicContact CD2-CD1 4.38Å; L640-L661 HydrophobicContact CD2-CD2 3.88Å; L640-L661 HydrophobicContact CD2-CG 3.85Å; L644-L661 HydrophobicContact CD1-CD2 4.1Å; I650-L661 HydrophobicContact CB-CD1 3.96Å; I650-L661 HydrophobicContact CG1-CD1 4.18Å; I650-L661 HydrophobicContact CG2-CD1 3.94Å; N657-L661 WeakPolarHBondContact O-CG 3.46Å; N657-L661 PolarHBondContact O-N 3.36Å; H658-L661 PolarHBondContact O-N 3.04Å; A659-L661 PolarHBondContact O-N 3.32Å; L661-Q665 WeakPolarHBondContact O-CA 3.42Å; L661-Q665 VanDerWaalsContact O-CB 3.24Å; L661-Q665 WeakPolarHBondContact O-CB 3.45Å; L661-Q665 PolarHBondContact O-N 3.43Å; L661-L668 HydrophobicContact CD2-CD1 3.75Å; L661-L679 HydrophobicContact CD2-CD2 4.29Å; L661-F687 HydrophobicContact CB-CD1 4.44Å; L661-F687 HydrophobicContact CB-CD2 3.82Å; L661-F687 HydrophobicContact CB-CE1 4.36Å; L661-F687 HydrophobicContact CB-CE2 3.74Å; L661-F687 HydrophobicContact CB-CG 4.17Å; L661-F687 HydrophobicContact CB-CZ 4.01Å; L661-F687 HydrophobicContact CD1-CB 3.64Å; L661-F687 HydrophobicContact CD1-CD2 3.74Å; L661-F687 HydrophobicContact CD1-CG 3.74Å; L661-F687 HydrophobicContact CG-CD2 4.43Å
662M93.8Very high92.3Very high72 Ų7255.8 Ų55.836%0.35528%0.284SS..Hα-helixtrans-64.4-43.8175-77.3-69-58.900112.2H658 A659 F660 F664 R681 F687H658-M662 WeakPolarHBondContact O-CB 3.39Å; H658-M662 VanDerWaalsContact O-CG 3.31Å; H658-M662 WeakPolarHBondContact O-CG 3.27Å; H658-M662 PolarHBondContact O-N 2.94Å; A659-M662 WeakPolarHBondContact O-CB 3.48Å; A659-M662 PolarHBondContact O-N 2.86Å; F660-M662 VanDerWaalsContact C-N 3.3Å; F660-M662 PolarHBondContact O-N 3.5Å; M662-F664 VanDerWaalsContact C-N 3.35Å; M662-F664 PolarHBondContact O-N 3.16Å; M662-R681 PolarHBondContact SD-NH1 2.91Å; M662-R681 VanDerWaalsContact SD-NH1 3.4Å; M662-F687 HydrophobicContact CG-CE2 4.07Å; M662-F687 HydrophobicContact CG-CZ 4.17Å; M662-F687 HydrophobicContact SD-CE2 4.09Å; M662-F687 HydrophobicContact SD-CZ 3.81Å
663D93.3Very high92.4Very high123 Ų12354 Ų5466%0.65828%0.283SS*.Hα-helixtrans-68.9-32.2-177.5-72.8-16.3000112.8A659 F660A659-D663 VanDerWaalsContact O-CG 3.32Å; A659-D663 PolarHBondContact O-N 3.25Å; F660-D663 PolarHBondContact O-N 2.99Å
664F93.7Very high92.7Very high18 Ų1859.4 Ų59.48%0.07930%0.298CS..Hα-helixtrans-11615.2-176-61.3-74.4000114.5Q630 A631 F660 M662 E666 Y667 L668Q630-F664 HydrophobicContact CB-CE1 4.31Å; Q630-F664 HydrophobicContact CG-CE1 4.18Å; Q630-F664 HydrophobicContact CG-CZ 4.06Å; A631-F664 HydrophobicContact CB-CB 3.86Å; A631-F664 HydrophobicContact CB-CD1 3.53Å; A631-F664 HydrophobicContact CB-CD2 4.04Å; A631-F664 HydrophobicContact CB-CE1 4.01Å; A631-F664 HydrophobicContact CB-CE2 4.48Å; A631-F664 HydrophobicContact CB-CG 3.54Å; A631-F664 HydrophobicContact CB-CZ 4.46Å; F660-F664 AromaticContact CD2-CD2 3.56Å; F660-F664 HydrophobicContact CD2-CD2 3.56Å; F660-F664 AromaticContact CD2-CE2 3.72Å; F660-F664 HydrophobicContact CD2-CE2 3.72Å; F660-F664 AromaticContact CE2-CD2 3.36Å; F660-F664 HydrophobicContact CE2-CD2 3.36Å; F660-F664 AromaticContact CE2-CE2 3.57Å; F660-F664 HydrophobicContact CE2-CE2 3.57Å; F660-F664 HydrophobicContact CE2-CG 4.36Å; F660-F664 HydrophobicContact CG-CD2 4.31Å; F660-F664 HydrophobicContact CZ-CD2 4.01Å; F660-F664 WeakPolarHBondContact O-CD2 3.28Å; F660-F664 PolarHBondContact O-N 2.91Å; F660-F664 VanDerWaalsContact O-N 3.13Å; M662-F664 VanDerWaalsContact C-N 3.35Å; M662-F664 PolarHBondContact O-N 3.16Å; F664-E666 PolarHBondContact O-N 3.34Å; F664-Y667 HydrophobicContact CD1-CD2 4.27Å; F664-Y667 PolarHBondContact O-N 3.49Å; F664-Y667 VanDerWaalsContact O-N 3.12Å; F664-L668 HydrophobicContact CB-CD1 3.94Å; F664-L668 HydrophobicContact CB-CG 4.04Å; F664-L668 WeakPolarHBondContact O-CG 3.42Å; F664-L668 PolarHBondContact O-N 3.47Å
665Q93.4Very high92.7Very high47 Ų4761.2 Ų61.222%0.2230%0.304CS..Hα-helixtrans-49.5-54.5-172.3-174.7-178-30.200112.7L661 Y667 L668 E669 F687L661-Q665 WeakPolarHBondContact O-CA 3.42Å; L661-Q665 VanDerWaalsContact O-CB 3.24Å; L661-Q665 WeakPolarHBondContact O-CB 3.45Å; L661-Q665 PolarHBondContact O-N 3.43Å; Q665-Y667 VanDerWaalsContact C-N 3.27Å; Q665-Y667 PolarHBondContact O-N 3.01Å; Q665-L668 PolarHBondContact O-N 2.81Å; Q665-E669 HydrophobicContact CG-CG 4.39Å; Q665-E669 WeakPolarHBondContact CG-OE1 3.45Å; Q665-E669 PolarHBondContact NE2-OE1 3.41Å; Q665-E669 WeakPolarHBondContact O-CB 3.45Å; Q665-E669 WeakPolarHBondContact O-CG 3.31Å; Q665-E669 PolarHBondContact O-N 3.01Å; Q665-F687 HydrophobicContact CG-CE1 4.05Å
666E91.6Very high92.7Very high131 Ų13157.8 Ų57.861%0.61229%0.286SS*.Hα-helixtrans-57.4-40.3-176.4-173.9179.2176.900112F664F664-E666 PolarHBondContact O-N 3.34Å
667Y92.2Very high92.6Very high51 Ų5152.2 Ų52.220%0.226%0.256CS..Hα-helixtrans-77.3-37.2-179.1-51.1-73.7000112.1Y624 K627 F664 Q665 E670 F671Y624-Y667 AromaticContact CD2-CD1 3.93Å; Y624-Y667 HydrophobicContact CD2-CD1 3.93Å; Y624-Y667 HydrophobicContact CD2-CE1 4.23Å; Y624-Y667 HydrophobicContact CE2-CD1 4.06Å; K627-Y667 HydrophobicContact CB-CD1 3.9Å; K627-Y667 HydrophobicContact CB-CD2 4.01Å; K627-Y667 HydrophobicContact CB-CE1 3.54Å; K627-Y667 HydrophobicContact CB-CE2 3.64Å; K627-Y667 HydrophobicContact CB-CG 4.13Å; K627-Y667 HydrophobicContact CD-CE2 4.23Å; K627-Y667 HydrophobicContact CG-CE1 4.22Å; K627-Y667 HydrophobicContact CG-CE2 4.04Å; F664-Y667 HydrophobicContact CD1-CD2 4.27Å; F664-Y667 PolarHBondContact O-N 3.49Å; F664-Y667 VanDerWaalsContact O-N 3.12Å; Q665-Y667 VanDerWaalsContact C-N 3.27Å; Q665-Y667 PolarHBondContact O-N 3.01Å; Y667-E670 PolarHBondContact O-N 3.27Å; Y667-F671 PolarHBondContact O-N 3.28Å
668L94.1Very high92.5Very high1 Ų152.7 Ų52.71%0.00526%0.258CS..Hα-helixtrans-73.7-33.1179.4-67.4177.1000111.9A631 F637 F660 L661 F664 Q665 E670 F671 Y672 L679A631-L668 HydrophobicContact CB-CD2 4.36Å; F637-L668 HydrophobicContact CD2-CD2 4.19Å; F637-L668 HydrophobicContact CE2-CD2 3.79Å; F660-L668 HydrophobicContact CD1-CD1 4.4Å; F660-L668 HydrophobicContact CE1-CD1 3.72Å; F660-L668 HydrophobicContact CZ-CD1 4.29Å; L661-L668 HydrophobicContact CD2-CD1 3.75Å; F664-L668 HydrophobicContact CB-CD1 3.94Å; F664-L668 HydrophobicContact CB-CG 4.04Å; F664-L668 WeakPolarHBondContact O-CG 3.42Å; F664-L668 PolarHBondContact O-N 3.47Å; Q665-L668 PolarHBondContact O-N 2.81Å; L668-E670 VanDerWaalsContact C-N 3.31Å; L668-E670 PolarHBondContact O-N 2.95Å; L668-F671 WeakPolarHBondContact O-CB 3.38Å; L668-F671 PolarHBondContact O-N 3.38Å; L668-Y672 HydrophobicContact CB-CD2 4.39Å; L668-Y672 HydrophobicContact CB-CE2 4.32Å; L668-Y672 WeakPolarHBondContact O-CD2 3.42Å; L668-Y672 PolarHBondContact O-N 3.18Å; L668-L679 HydrophobicContact CB-CD2 3.71Å
669E94.2Very high92.6Very high74 Ų7452.1 Ų52.135%0.34626%0.255SS..Hα-helixtrans-55.1-47.2171-81.1178.3-167.300111.2Q665 A673 L679Q665-E669 HydrophobicContact CG-CG 4.39Å; Q665-E669 WeakPolarHBondContact CG-OE1 3.45Å; Q665-E669 PolarHBondContact NE2-OE1 3.41Å; Q665-E669 WeakPolarHBondContact O-CB 3.45Å; Q665-E669 WeakPolarHBondContact O-CG 3.31Å; Q665-E669 PolarHBondContact O-N 3.01Å; E669-A673 VanDerWaalsContact O-CB 3.31Å; E669-A673 WeakPolarHBondContact O-CB 3.37Å; E669-A673 PolarHBondContact O-N 2.92Å; E669-L679 HydrophobicContact CG-CB 4.04Å; E669-L679 HydrophobicContact CG-CD2 4.37Å; E669-L679 HydrophobicContact CG-CG 4.47Å
670E90.6Very high92.6Very high94 Ų9451.5 Ų51.544%0.43925%0.245SC..Hα-helixtrans-70.3-36.5176.4-68.1-167.9-165.200113Y624 Y667 L668 A673 R674Y624-E670 HydrophobicContact CE2-CB 4.42Å; Y624-E670 HydrophobicContact CE2-CG 4.46Å; Y624-E670 WeakPolarHBondContact CE2-OE2 3.46Å; Y624-E670 WeakPolarHBondContact OH-CB 3.33Å; Y624-E670 PolarHBondContact OH-OE2 3.37Å; Y667-E670 PolarHBondContact O-N 3.27Å; L668-E670 VanDerWaalsContact C-N 3.31Å; L668-E670 PolarHBondContact O-N 2.95Å; E670-A673 PolarHBondContact O-N 3.38Å; E670-R674 WeakPolarHBondContact O-CG 3.44Å; E670-R674 PolarHBondContact O-N 2.99Å
671F92.4Very high92.6Very high20 Ų2056.5 Ų56.59%0.08826%0.264CS..Hα-helixtrans-58-50174.3174.7-95.1000111.6L628 L632 F637 Y667 L668 R674 Y675L628-F671 HydrophobicContact CD1-CB 4Å; L628-F671 HydrophobicContact CD1-CD2 4.35Å; L628-F671 HydrophobicContact CD1-CG 4.48Å; L632-F671 HydrophobicContact CD1-CD2 4.49Å; L632-F671 HydrophobicContact CD1-CE2 4.4Å; L632-F671 HydrophobicContact CD2-CD2 3.93Å; L632-F671 HydrophobicContact CD2-CE2 3.69Å; L632-F671 HydrophobicContact CD2-CZ 4.11Å; F637-F671 HydrophobicContact CE1-CZ 4.44Å; F637-F671 HydrophobicContact CE2-CE1 4.37Å; F637-F671 HydrophobicContact CZ-CD1 4.3Å; F637-F671 AromaticContact CZ-CE1 3.69Å; F637-F671 HydrophobicContact CZ-CE1 3.69Å; F637-F671 HydrophobicContact CZ-CE2 4.5Å; F637-F671 AromaticContact CZ-CZ 3.79Å; F637-F671 HydrophobicContact CZ-CZ 3.79Å; Y667-F671 PolarHBondContact O-N 3.28Å; L668-F671 WeakPolarHBondContact O-CB 3.38Å; L668-F671 PolarHBondContact O-N 3.38Å; F671-R674 WeakPolarHBondContact O-CB 3.36Å; F671-R674 PolarHBondContact O-N 3.19Å; F671-Y675 HydrophobicContact CD1-CE2 4.47Å; F671-Y675 AromaticContact CE1-CE2 3.96Å; F671-Y675 HydrophobicContact CE1-CE2 3.96Å; F671-Y675 HydrophobicContact CE2-CE2 4.35Å; F671-Y675 AromaticContact CZ-CE2 3.9Å; F671-Y675 HydrophobicContact CZ-CE2 3.9Å; F671-Y675 WeakPolarHBondContact O-CD2 3.46Å
672Y93.2Very high92.4Very high1 Ų156.9 Ų56.90%0.00427%0.266CS..Hα-helixtrans-70.1-31.4178.7-73.2-64.8000112.7D641 L644 L668 R674 Y675 V677 L679 L689D641-Y672 WeakPolarHBondContact OD1-CE1 3.39Å; D641-Y672 PolarHBondContact OD1-OH 2.92Å; L644-Y672 HydrophobicContact CD1-CE2 4.1Å; L644-Y672 WeakPolarHBondContact CD1-OH 3.5Å; L668-Y672 HydrophobicContact CB-CD2 4.39Å; L668-Y672 HydrophobicContact CB-CE2 4.32Å; L668-Y672 WeakPolarHBondContact O-CD2 3.42Å; L668-Y672 PolarHBondContact O-N 3.18Å; Y672-R674 PolarHBondContact O-N 2.93Å; Y672-R674 VanDerWaalsContact O-N 3.17Å; Y672-Y675 WeakPolarHBondContact O-CA 3.3Å; Y672-Y675 WeakPolarHBondContact O-CB 3.47Å; Y672-Y675 PolarHBondContact O-N 3.14Å; Y672-V677 CarbonylContact C-O 3.5Å; Y672-V677 PolarHBondContact O-N 3.35Å; Y672-L679 HydrophobicContact CD2-CB 3.95Å; Y672-L679 HydrophobicContact CD2-CD2 4.16Å; Y672-L679 HydrophobicContact CD2-CG 4.44Å; Y672-L679 HydrophobicContact CE2-CD2 4.38Å; Y672-L689 HydrophobicContact CD1-CD1 3.78Å; Y672-L689 HydrophobicContact CD1-CD2 3.73Å; Y672-L689 HydrophobicContact CD1-CG 4.44Å; Y672-L689 HydrophobicContact CD2-CD2 3.82Å; Y672-L689 HydrophobicContact CE1-CD1 3.73Å; Y672-L689 HydrophobicContact CE1-CD2 4.11Å; Y672-L689 HydrophobicContact CE2-CD2 4.19Å; Y672-L689 HydrophobicContact CG-CD1 4.49Å; Y672-L689 HydrophobicContact CG-CD2 3.59Å
673A90.8Very high92.1Very high53 Ų5358.2 Ų58.244%0.43828%0.281SS..Hα-helixtrans-58.1-29.617500000112.5E669 E670 Y675 N676 V677E669-A673 VanDerWaalsContact O-CB 3.31Å; E669-A673 WeakPolarHBondContact O-CB 3.37Å; E669-A673 PolarHBondContact O-N 2.92Å; E670-A673 PolarHBondContact O-N 3.38Å; A673-Y675 PolarHBondContact O-N 2.61Å; A673-N676 PolarHBondContact O-N 3.42Å; A673-V677 WeakPolarHBondContact CA-O 3.47Å; A673-V677 PolarHBondContact N-O 2.85Å
674R89.7Confident91.7Very high179 Ų17953.4 Ų53.468%0.67525%0.254SS*.THydrogen-bonded Turntrans-61.2-23.2173.7-62.1167.965.2138.8-0.6113.4E670 F671 Y672E670-R674 WeakPolarHBondContact O-CG 3.44Å; E670-R674 PolarHBondContact O-N 2.99Å; F671-R674 WeakPolarHBondContact O-CB 3.36Å; F671-R674 PolarHBondContact O-N 3.19Å; Y672-R674 PolarHBondContact O-N 2.93Å; Y672-R674 VanDerWaalsContact O-N 3.17Å
675Y89.9Confident91.5Very high65 Ų6553 Ų5326%0.25526%0.255SS..THydrogen-bonded Turntrans-96.811176.6-59.6-89.6000112.7F671 Y672 A673 V677 L696 I697F671-Y675 HydrophobicContact CD1-CE2 4.47Å; F671-Y675 AromaticContact CE1-CE2 3.96Å; F671-Y675 HydrophobicContact CE1-CE2 3.96Å; F671-Y675 HydrophobicContact CE2-CE2 4.35Å; F671-Y675 AromaticContact CZ-CE2 3.9Å; F671-Y675 HydrophobicContact CZ-CE2 3.9Å; F671-Y675 WeakPolarHBondContact O-CD2 3.46Å; Y672-Y675 WeakPolarHBondContact O-CA 3.3Å; Y672-Y675 WeakPolarHBondContact O-CB 3.47Å; Y672-Y675 PolarHBondContact O-N 3.14Å; A673-Y675 PolarHBondContact O-N 2.61Å; Y675-V677 PolarHBondContact O-N 3.31Å; Y675-L696 PolarHBondContact O-N 2.86Å; Y675-I697 HydrophobicContact CG-CD1 4.44Å
676N88.9Confident91.6Very high62 Ų6250.9 Ų50.933%0.33225%0.245SC..THydrogen-bonded Turntrans56.138-172.4-64.6-29.9000112.7A673 R692 T694A673-N676 PolarHBondContact O-N 3.42Å; N676-R692 WeakPolarHBondContact O-CB 3.5Å; N676-R692 PolarHBondContact O-N 2.95Å; N676-T694 VanDerWaalsContact CB-O 3.23Å; N676-T694 WeakPolarHBondContact CB-O 3.38Å; N676-T694 PolarHBondContact ND2-O 3.04Å; N676-T694 PolarHBondContact ND2-OG1 3.48Å
677V90.1Very high91.8Very high0 Ų044.7 Ų44.70%022%0.216CC..EExtended strand (participates in β ladder)trans-127.6144.4176.6-179.60000108.6Y672 A673 Y675 L689 R690 T695 I697Y672-V677 CarbonylContact C-O 3.5Å; Y672-V677 PolarHBondContact O-N 3.35Å; A673-V677 WeakPolarHBondContact CA-O 3.47Å; A673-V677 PolarHBondContact N-O 2.85Å; Y675-V677 PolarHBondContact O-N 3.31Å; V677-L689 HydrophobicContact CG1-CB 3.58Å; V677-L689 HydrophobicContact CG1-CD1 4.07Å; V677-L689 HydrophobicContact CG1-CD2 3.92Å; V677-L689 HydrophobicContact CG1-CG 4.03Å; V677-R690 WeakPolarHBondContact CG1-O 3.46Å; V677-T695 WeakPolarHBondContact CG2-OG1 3.32Å; V677-I697 HydrophobicContact CB-CD1 4.41Å; V677-I697 HydrophobicContact CG2-CB 4.08Å; V677-I697 HydrophobicContact CG2-CD1 3.82Å; V677-I697 HydrophobicContact CG2-CG1 4.28Å
678E92.8Very high92Very high45 Ų4543 Ų4321%0.2121%0.21CC..EExtended strand (participates in β ladder)trans-104.3130.3177.5-59.7177.110800109.9I680 L689 R690 R692E678-I680 HydrophobicContact CB-CD1 3.73Å; E678-I680 HydrophobicContact CB-CG1 4.15Å; E678-I680 PolarHBondContact O-N 3.39Å; E678-L689 CarbonylContact O-C 3.35Å; E678-L689 WeakPolarHBondContact O-CA 3.25Å; E678-R690 HydrophobicContact CB-CB 4.44Å; E678-R690 VanDerWaalsContact CD-NH2 3.35Å; E678-R690 PolarHBondContact N-O 3.43Å; E678-R690 PolarHBondContact O-N 3.02Å; E678-R690 IonicContact OE1-NH2 3.73Å; E678-R690 IonicContact OE2-CZ 3.92Å; E678-R690 VanDerWaalsContact OE2-CZ 3.25Å; E678-R690 IonicContact OE2-NE 3.28Å; E678-R690 PolarHBondContact OE2-NE 3.01Å; E678-R690 IonicContact OE2-NH2 3.37Å; E678-R690 PolarHBondContact OE2-NH2 3.31Å; E678-R692 VanDerWaalsContact CD-CZ 3.47Å; E678-R692 VanDerWaalsContact CD-NE 3.3Å; E678-R692 HydrophobicContact CG-CG 4.42Å; E678-R692 IonicContact OE1-CZ 3.81Å; E678-R692 IonicContact OE1-NE 3.64Å; E678-R692 IonicContact OE1-NH2 3.21Å; E678-R692 PolarHBondContact OE1-NH2 3.1Å; E678-R692 IonicContact OE2-CZ 2.77Å; E678-R692 IonicContact OE2-NE 3.04Å; E678-R692 PolarHBondContact OE2-NE 2.96Å; E678-R692 IonicContact OE2-NH2 3.52Å; E678-R692 PolarHBondContact OE2-NH2 3.43Å
679L95.2Very high92Very high6 Ų643.2 Ų43.23%0.03121%0.21CC..EExtended strand (participates in β ladder)trans-78.8113.2164.817963.9000108L644 L661 L668 E669 Y672 F687 L689L644-L679 HydrophobicContact CD1-CD1 4.45Å; L644-L679 HydrophobicContact CD2-CD1 4.46Å; L661-L679 HydrophobicContact CD2-CD2 4.29Å; L668-L679 HydrophobicContact CB-CD2 3.71Å; E669-L679 HydrophobicContact CG-CB 4.04Å; E669-L679 HydrophobicContact CG-CD2 4.37Å; E669-L679 HydrophobicContact CG-CG 4.47Å; Y672-L679 HydrophobicContact CD2-CB 3.95Å; Y672-L679 HydrophobicContact CD2-CD2 4.16Å; Y672-L679 HydrophobicContact CD2-CG 4.44Å; Y672-L679 HydrophobicContact CE2-CD2 4.38Å; L679-F687 HydrophobicContact CD1-CB 4.36Å; L679-F687 HydrophobicContact CD1-CD1 4.31Å; L679-F687 HydrophobicContact CG-CD1 4.39Å; L679-L689 HydrophobicContact CB-CD2 4.1Å; L679-L689 HydrophobicContact CD1-CD2 3.95Å
680I94.2Very high91.9Very high33 Ų3341.6 Ų41.617%0.16920%0.201CC..EExtended strand (participates in β ladder)trans-108.4129.8-177-57.5-60.4000109.4E678 F687 Y688 R690E678-I680 HydrophobicContact CB-CD1 3.73Å; E678-I680 HydrophobicContact CB-CG1 4.15Å; E678-I680 PolarHBondContact O-N 3.39Å; I680-F687 CarbonylContact O-C 3.54Å; I680-F687 VanDerWaalsContact O-CA 3.27Å; I680-F687 WeakPolarHBondContact O-CA 3.31Å; I680-Y688 HydrophobicContact CB-CD1 4.2Å; I680-Y688 HydrophobicContact CB-CE1 3.73Å; I680-Y688 HydrophobicContact CB-CE2 4.26Å; I680-Y688 HydrophobicContact CG2-CD1 4.43Å; I680-Y688 HydrophobicContact CG2-CE1 3.57Å; I680-Y688 PolarHBondContact N-O 2.85Å; I680-Y688 PolarHBondContact O-N 3.21Å; I680-R690 HydrophobicContact CG1-CB 3.84Å
681R95.1Very high91.7Very high112 Ų11237.1 Ų37.142%0.42318%0.18SC..EExtended strand (participates in β ladder)trans-96.6114.3162.9-171.2-179.5174.3-167.3-2.9109.2M662 F686 F687M662-R681 PolarHBondContact SD-NH1 2.91Å; M662-R681 VanDerWaalsContact SD-NH1 3.4Å; R681-F686 WeakPolarHBondContact CA-O 3.44Å; R681-F687 HydrophobicContact CB-CD1 3.82Å; R681-F687 HydrophobicContact CB-CE1 3.58Å; R681-F687 HydrophobicContact CB-CZ 4.25Å; R681-F687 HydrophobicContact CG-CD1 4.17Å; R681-F687 HydrophobicContact CG-CE1 3.78Å; R681-F687 HydrophobicContact CG-CE2 4.42Å; R681-F687 HydrophobicContact CG-CZ 3.92Å
682A91.2Very high91.1Very high7 Ų742 Ų426%0.05820%0.198CC..  trans-68.6154.5176.100000110.9E684 G685 F686 Y688A682-E684 WeakPolarHBondContact CB-OE2 3.38Å; A682-E684 PolarHBondContact O-N 2.92Å; A682-E684 VanDerWaalsContact O-N 3.09Å; A682-G685 WeakPolarHBondContact O-CA 3.05Å; A682-G685 PolarHBondContact O-N 3.19Å; A682-F686 HydrophobicContact CB-CD1 3.88Å; A682-F686 HydrophobicContact CB-CD2 4.02Å; A682-F686 HydrophobicContact CB-CE1 3.46Å; A682-F686 VanDerWaalsContact CB-CE1 3.46Å; A682-F686 HydrophobicContact CB-CE2 3.6Å; A682-F686 HydrophobicContact CB-CG 4.14Å; A682-F686 HydrophobicContact CB-CZ 3.31Å; A682-F686 PolarHBondContact N-O 3.24Å; A682-Y688 HydrophobicContact CB-CE1 4.38Å
683P87Confident90.3Very high101 Ų10147 Ų4766%0.65623%0.234SC*.THydrogen-bonded Turntrans-52.1-30174.2-27.433.8000114.3G685P683-G685 PolarHBondContact O-N 3.18Å
684E85.8Confident89.9Confident22 Ų2248.5 Ų48.510%0.10324%0.237CC..THydrogen-bonded Turntrans-74.7-10.5177.4-59.267.6-156.100113.1M487 A682 F686 F799 R806M487-E684 HydrophobicContact CE-CB 4.27Å; M487-E684 HydrophobicContact CE-CG 3.54Å; M487-E684 HydrophobicContact SD-CG 4.22Å; A682-E684 WeakPolarHBondContact CB-OE2 3.38Å; A682-E684 PolarHBondContact O-N 2.92Å; A682-E684 VanDerWaalsContact O-N 3.09Å; E684-F686 HydrophobicContact CB-CD1 3.89Å; E684-F686 HydrophobicContact CB-CE1 3.84Å; E684-F686 HydrophobicContact CG-CE1 4.26Å; E684-F799 HydrophobicContact CB-CD2 4.25Å; E684-F799 HydrophobicContact CG-CB 3.59Å; E684-F799 HydrophobicContact CG-CD1 4.09Å; E684-F799 HydrophobicContact CG-CD2 3.55Å; E684-F799 HydrophobicContact CG-CE2 4.17Å; E684-F799 HydrophobicContact CG-CG 3.51Å; E684-R806 VanDerWaalsContact OE1-CD 3.28Å; E684-R806 WeakPolarHBondContact OE1-CD 3.15Å; E684-R806 IonicContact OE1-CZ 3.66Å; E684-R806 IonicContact OE1-NE 3.14Å; E684-R806 IonicContact OE1-NH1 2.68Å; E684-R806 PolarHBondContact OE1-NH1 3.39Å; E684-R806 IonicContact OE2-NH1 2.83Å; E684-R806 PolarHBondContact OE2-NH1 3.25Å
685G89.9Confident89.6Confident9 Ų941.4 Ų41.49%0.09321%0.214CC..SBendtrans104-11.6171.100000116H658 A682 P683H658-G685 PolarHBondContact NE2-O 2.98Å; A682-G685 WeakPolarHBondContact O-CA 3.05Å; A682-G685 PolarHBondContact O-N 3.19Å; P683-G685 PolarHBondContact O-N 3.18Å
686F94.1Very high89.4Confident2 Ų244 Ų441%0.00923%0.232CC..  trans-79.7155.4178.166.7-93.5000112.6H649 I650 R681 A682 E684 Y688 E796 F799 R800H649-F686 HydrophobicContact CB-CD2 4.28Å; H649-F686 AromaticContact CD2-CE2 3.82Å; I650-F686 CarbonylContact O-C 3.59Å; I650-F686 VanDerWaalsContact O-CA 3.25Å; I650-F686 WeakPolarHBondContact O-CA 3.47Å; I650-F686 WeakPolarHBondContact O-CB 3.27Å; R681-F686 WeakPolarHBondContact CA-O 3.44Å; A682-F686 HydrophobicContact CB-CD1 3.88Å; A682-F686 HydrophobicContact CB-CD2 4.02Å; A682-F686 HydrophobicContact CB-CE1 3.46Å; A682-F686 VanDerWaalsContact CB-CE1 3.46Å; A682-F686 HydrophobicContact CB-CE2 3.6Å; A682-F686 HydrophobicContact CB-CG 4.14Å; A682-F686 HydrophobicContact CB-CZ 3.31Å; A682-F686 PolarHBondContact N-O 3.24Å; E684-F686 HydrophobicContact CB-CD1 3.89Å; E684-F686 HydrophobicContact CB-CE1 3.84Å; E684-F686 HydrophobicContact CG-CE1 4.26Å; F686-Y688 AromaticContact CD2-CD1 3.99Å; F686-Y688 HydrophobicContact CD2-CD1 3.99Å; F686-Y688 AromaticContact CE2-CD1 3.65Å; F686-Y688 HydrophobicContact CE2-CD1 3.65Å; F686-Y688 AromaticContact CE2-CE1 3.88Å; F686-Y688 HydrophobicContact CE2-CE1 3.88Å; F686-E796 HydrophobicContact CB-CG 4.15Å; F686-E796 HydrophobicContact CD1-CB 4.42Å; F686-E796 HydrophobicContact CD1-CG 3.97Å; F686-E796 VanDerWaalsContact CE1-O 3.32Å; F686-E796 WeakPolarHBondContact CE1-O 3.26Å; F686-F799 HydrophobicContact CE1-CB 4.39Å; F686-R800 HydrophobicContact CZ-CB 4.24Å
687F96.8Very high89.3Confident1 Ų141.5 Ų41.50%0.00422%0.218CC..EExtended strand (participates in β ladder)trans-108.1148.8178.6-67.6-88.6000112.5H649 I650 H658 L661 M662 Q665 L679 I680 R681H649-F687 CarbonylContact C-O 3.58Å; H649-F687 VanDerWaalsContact CA-O 3.28Å; H649-F687 WeakPolarHBondContact CA-O 3.4Å; I650-F687 HydrophobicContact CB-CB 4.45Å; I650-F687 PolarHBondContact N-O 3.3Å; I650-F687 PolarHBondContact O-N 3.43Å; H658-F687 AromaticContact NE2-CE2 3.73Å; L661-F687 HydrophobicContact CB-CD1 4.44Å; L661-F687 HydrophobicContact CB-CD2 3.82Å; L661-F687 HydrophobicContact CB-CE1 4.36Å; L661-F687 HydrophobicContact CB-CE2 3.74Å; L661-F687 HydrophobicContact CB-CG 4.17Å; L661-F687 HydrophobicContact CB-CZ 4.01Å; L661-F687 HydrophobicContact CD1-CB 3.64Å; L661-F687 HydrophobicContact CD1-CD2 3.74Å; L661-F687 HydrophobicContact CD1-CG 3.74Å; L661-F687 HydrophobicContact CG-CD2 4.43Å; M662-F687 HydrophobicContact CG-CE2 4.07Å; M662-F687 HydrophobicContact CG-CZ 4.17Å; M662-F687 HydrophobicContact SD-CE2 4.09Å; M662-F687 HydrophobicContact SD-CZ 3.81Å; Q665-F687 HydrophobicContact CG-CE1 4.05Å; L679-F687 HydrophobicContact CD1-CB 4.36Å; L679-F687 HydrophobicContact CD1-CD1 4.31Å; L679-F687 HydrophobicContact CG-CD1 4.39Å; I680-F687 CarbonylContact O-C 3.54Å; I680-F687 VanDerWaalsContact O-CA 3.27Å; I680-F687 WeakPolarHBondContact O-CA 3.31Å; R681-F687 HydrophobicContact CB-CD1 3.82Å; R681-F687 HydrophobicContact CB-CE1 3.58Å; R681-F687 HydrophobicContact CB-CZ 4.25Å; R681-F687 HydrophobicContact CG-CD1 4.17Å; R681-F687 HydrophobicContact CG-CE1 3.78Å; R681-F687 HydrophobicContact CG-CE2 4.42Å; R681-F687 HydrophobicContact CG-CZ 3.92Å
688Y95.6Very high89.1Confident17 Ų1744.8 Ų44.87%0.06724%0.239CC..EExtended strand (participates in β ladder)trans-158.9163.9171.265.4-74.9000111.2H649 I680 A682 F686 R690 E823H649-Y688 VanDerWaalsContact CD2-CB 3.46Å; H649-Y688 WeakPolarHBondContact CD2-CB 3.42Å; H649-Y688 AromaticContact CD2-CG 3.71Å; H649-Y688 AromaticContact NE2-CG 3.87Å; I680-Y688 HydrophobicContact CB-CD1 4.2Å; I680-Y688 HydrophobicContact CB-CE1 3.73Å; I680-Y688 HydrophobicContact CB-CE2 4.26Å; I680-Y688 HydrophobicContact CG2-CD1 4.43Å; I680-Y688 HydrophobicContact CG2-CE1 3.57Å; I680-Y688 PolarHBondContact N-O 2.85Å; I680-Y688 PolarHBondContact O-N 3.21Å; A682-Y688 HydrophobicContact CB-CE1 4.38Å; F686-Y688 AromaticContact CD2-CD1 3.99Å; F686-Y688 HydrophobicContact CD2-CD1 3.99Å; F686-Y688 AromaticContact CE2-CD1 3.65Å; F686-Y688 HydrophobicContact CE2-CD1 3.65Å; F686-Y688 AromaticContact CE2-CE1 3.88Å; F686-Y688 HydrophobicContact CE2-CE1 3.88Å; Y688-R690 HydrophobicContact CE2-CB 4.23Å; Y688-E823 VanDerWaalsContact OH-CD 3.32Å; Y688-E823 PolarHBondContact OH-OE1 2.9Å; Y688-E823 PolarHBondContact OH-OE2 2.87Å
689L94.5Very high88.8Confident4 Ų447.5 Ų47.52%0.02125%0.248CC..EExtended strand (participates in β ladder)trans-92.7122.4172.7-71.5-170.4000111.2A514 L644 R645 Y672 V677 E678 L679 P691 I697A514-L689 HydrophobicContact CB-CB 4.11Å; L644-L689 HydrophobicContact CB-CD1 3.91Å; L644-L689 HydrophobicContact CB-CG 3.99Å; L644-L689 HydrophobicContact CD2-CG 4.42Å; R645-L689 HydrophobicContact CG-CD1 4.15Å; Y672-L689 HydrophobicContact CD1-CD1 3.78Å; Y672-L689 HydrophobicContact CD1-CD2 3.73Å; Y672-L689 HydrophobicContact CD1-CG 4.44Å; Y672-L689 HydrophobicContact CD2-CD2 3.82Å; Y672-L689 HydrophobicContact CE1-CD1 3.73Å; Y672-L689 HydrophobicContact CE1-CD2 4.11Å; Y672-L689 HydrophobicContact CE2-CD2 4.19Å; Y672-L689 HydrophobicContact CG-CD1 4.49Å; Y672-L689 HydrophobicContact CG-CD2 3.59Å; V677-L689 HydrophobicContact CG1-CB 3.58Å; V677-L689 HydrophobicContact CG1-CD1 4.07Å; V677-L689 HydrophobicContact CG1-CD2 3.92Å; V677-L689 HydrophobicContact CG1-CG 4.03Å; E678-L689 CarbonylContact O-C 3.35Å; E678-L689 WeakPolarHBondContact O-CA 3.25Å; L679-L689 HydrophobicContact CB-CD2 4.1Å; L679-L689 HydrophobicContact CD1-CD2 3.95Å; L689-P691 WeakPolarHBondContact O-CD 3.46Å; L689-I697 HydrophobicContact CD1-CD1 4.37Å
690R91.6Very high88.6Confident41 Ų4148.7 Ų48.716%0.15526%0.256CS..EExtended strand (participates in β ladder)trans-95.8112.7171176.1169.465-148.69110.5V677 E678 I680 Y688 R692 E823V677-R690 WeakPolarHBondContact CG1-O 3.46Å; E678-R690 HydrophobicContact CB-CB 4.44Å; E678-R690 VanDerWaalsContact CD-NH2 3.35Å; E678-R690 PolarHBondContact N-O 3.43Å; E678-R690 PolarHBondContact O-N 3.02Å; E678-R690 IonicContact OE1-NH2 3.73Å; E678-R690 IonicContact OE2-CZ 3.92Å; E678-R690 VanDerWaalsContact OE2-CZ 3.25Å; E678-R690 IonicContact OE2-NE 3.28Å; E678-R690 PolarHBondContact OE2-NE 3.01Å; E678-R690 IonicContact OE2-NH2 3.37Å; E678-R690 PolarHBondContact OE2-NH2 3.31Å; I680-R690 HydrophobicContact CG1-CB 3.84Å; Y688-R690 HydrophobicContact CE2-CB 4.23Å; R690-R692 PolarHBondContact O-N 3.27Å; R690-E823 VanDerWaalsContact CD-CD 3.46Å; R690-E823 VanDerWaalsContact CD-OE1 3.23Å; R690-E823 WeakPolarHBondContact CD-OE1 3.45Å; R690-E823 IonicContact CZ-OE1 3.44Å; R690-E823 IonicContact NE-OE1 3.81Å; R690-E823 IonicContact NH1-OE1 3.43Å; R690-E823 PolarHBondContact NH1-OE1 2.85Å
691P86.6Confident88.4Confident0 Ų050.2 Ų50.20%027%0.267CS..EExtended strand (participates in β ladder)trans-72.9125.5175.827.8-31.1000111.1L689 T695 R699L689-P691 WeakPolarHBondContact O-CD 3.46Å; P691-T695 HydrophobicContact CB-CG2 3.88Å; P691-R699 HydrophobicContact CB-CB 3.8Å; P691-R699 HydrophobicContact CG-CB 3.7Å
692R80.6Confident88.3Confident122 Ų12245.2 Ų45.246%0.4625%0.249SC..  trans-76169.3168-65.6-174.7168.7-98.44.5110.6N676 E678 R690 T694 T695N676-R692 WeakPolarHBondContact O-CB 3.5Å; N676-R692 PolarHBondContact O-N 2.95Å; E678-R692 VanDerWaalsContact CD-CZ 3.47Å; E678-R692 VanDerWaalsContact CD-NE 3.3Å; E678-R692 HydrophobicContact CG-CG 4.42Å; E678-R692 IonicContact OE1-CZ 3.81Å; E678-R692 IonicContact OE1-NE 3.64Å; E678-R692 IonicContact OE1-NH2 3.21Å; E678-R692 PolarHBondContact OE1-NH2 3.1Å; E678-R692 IonicContact OE2-CZ 2.77Å; E678-R692 IonicContact OE2-NE 3.04Å; E678-R692 PolarHBondContact OE2-NE 2.96Å; E678-R692 IonicContact OE2-NH2 3.52Å; E678-R692 PolarHBondContact OE2-NH2 3.43Å; R690-R692 PolarHBondContact O-N 3.27Å; R692-T694 PolarHBondContact O-N 3.06Å; R692-T694 VanDerWaalsContact O-N 3.13Å; R692-T695 VanDerWaalsContact O-CB 3.3Å; R692-T695 WeakPolarHBondContact O-CB 3.48Å; R692-T695 VanDerWaalsContact O-CG2 3.25Å; R692-T695 WeakPolarHBondContact O-CG2 3.43Å; R692-T695 PolarHBondContact O-N 3.16Å; R692-T695 VanDerWaalsContact O-N 3.09Å
693S75.2Confident88.4Confident107 Ų10747.3 Ų47.375%0.74826%0.263SS*.THydrogen-bonded Turntrans-58.2-24.5176.150.90000113.8
694T82.5Confident88.6Confident84 Ų8444.6 Ų44.652%0.51524%0.242SC..THydrogen-bonded Turntrans-104.718.3179610000113.5N676 R692N676-T694 VanDerWaalsContact CB-O 3.23Å; N676-T694 WeakPolarHBondContact CB-O 3.38Å; N676-T694 PolarHBondContact ND2-O 3.04Å; N676-T694 PolarHBondContact ND2-OG1 3.48Å; R692-T694 PolarHBondContact O-N 3.06Å; R692-T694 VanDerWaalsContact O-N 3.13Å
695T83.9Confident88.9Confident29 Ų2944.1 Ų44.118%0.17824%0.24CC..  trans-51.8136.2-179-179.40000112.3V677 P691 R692 I697 R699V677-T695 WeakPolarHBondContact CG2-OG1 3.32Å; P691-T695 HydrophobicContact CB-CG2 3.88Å; R692-T695 VanDerWaalsContact O-CB 3.3Å; R692-T695 WeakPolarHBondContact O-CB 3.48Å; R692-T695 VanDerWaalsContact O-CG2 3.25Å; R692-T695 WeakPolarHBondContact O-CG2 3.43Å; R692-T695 PolarHBondContact O-N 3.16Å; R692-T695 VanDerWaalsContact O-N 3.09Å; T695-I697 WeakPolarHBondContact CB-O 3.49Å; T695-I697 WeakPolarHBondContact CG2-O 3.47Å; T695-I697 PolarHBondContact OG1-N 2.84Å; T695-I697 PolarHBondContact OG1-O 2.76Å; T695-R699 HydrophobicContact CG2-CB 4.47Å
696L85.7Confident89.2Confident121 Ų12144 Ų4463%0.63424%0.237SC*.SBendtrans-82.5-19.6168.2-59.5-175.1000111.7Y675Y675-L696 PolarHBondContact O-N 2.86Å
697I86.1Confident89.2Confident8 Ų843.9 Ų43.94%0.04124%0.236CC..SBendtrans-88.4128.7174.8-66164.1000108.4A514 A516 R645 Y675 V677 L689 T695A514-I697 HydrophobicContact CB-CG2 4.17Å; A516-I697 HydrophobicContact CB-CG2 4.12Å; R645-I697 HydrophobicContact CG-CD1 3.86Å; Y675-I697 HydrophobicContact CG-CD1 4.44Å; V677-I697 HydrophobicContact CB-CD1 4.41Å; V677-I697 HydrophobicContact CG2-CB 4.08Å; V677-I697 HydrophobicContact CG2-CD1 3.82Å; V677-I697 HydrophobicContact CG2-CG1 4.28Å; L689-I697 HydrophobicContact CD1-CD1 4.37Å; T695-I697 WeakPolarHBondContact CB-O 3.49Å; T695-I697 WeakPolarHBondContact CG2-O 3.47Å; T695-I697 PolarHBondContact OG1-N 2.84Å; T695-I697 PolarHBondContact OG1-O 2.76Å
698P86.6Confident89.1Confident70 Ų7043.9 Ų43.946%0.45524%0.236SC..  trans-53.7145177.3-24.232.3000112N515N515-P698 PolarHBondContact N-O 3.45Å
699R87.2Confident89.1Confident102 Ų10243.1 Ų43.139%0.38523%0.233SC..EExtended strand (participates in β ladder)trans-120144.3177.872.6178.3-171.1165.75.3110.5Y513 P691 T695Y513-R699 WeakPolarHBondContact O-CA 3.43Å; P691-R699 HydrophobicContact CB-CB 3.8Å; P691-R699 HydrophobicContact CG-CB 3.7Å; T695-R699 HydrophobicContact CG2-CB 4.47Å
700S89.7Confident89.1Confident30 Ų3042.9 Ų42.921%0.2123%0.232CC..EExtended strand (participates in β ladder)trans-124.4167.1175.4-69.50000110.9T512 Y513 N515T512-S700 CarbonylContact C-O 3.59Å; T512-S700 VanDerWaalsContact CA-O 3.32Å; T512-S700 WeakPolarHBondContact CA-O 3.23Å; Y513-S700 PolarHBondContact N-O 2.73Å; Y513-S700 PolarHBondContact O-N 3.32Å; Y513-S700 WeakPolarHBondContact OH-CB 3.49Å; N515-S700 VanDerWaalsContact CB-OG 3.26Å; N515-S700 WeakPolarHBondContact CB-OG 3.25Å; N515-S700 PolarHBondContact ND2-OG 3.34Å
701V90.9Very high89.3Confident65 Ų6541 Ų4139%0.39423%0.225SC..EExtended strand (participates in β ladder)trans-123135.3-177.6-168.50000108.3A510 M825A510-V701 HydrophobicContact CB-CG1 3.54Å; V701-M825 HydrophobicContact CB-CE 4.48Å; V701-M825 HydrophobicContact CG2-CE 3.16Å
702L93.3Very high89.7Confident7 Ų741 Ų414%0.03723%0.225CC..  trans-68.5148.1173.9-71.1-177.5000111.4A510 L511 Y513 D706 M707 L776 L779 F801A510-L702 WeakPolarHBondContact CB-O 3.3Å; L511-L702 HydrophobicContact CB-CD1 4.15Å; L511-L702 PolarHBondContact O-N 2.77Å; Y513-L702 HydrophobicContact CD1-CD2 4.04Å; Y513-L702 HydrophobicContact CD1-CG 4.09Å; Y513-L702 HydrophobicContact CE1-CD2 3.75Å; Y513-L702 HydrophobicContact CE1-CG 4.18Å; L702-D706 HydrophobicContact CB-CB 4.04Å; L702-D706 HydrophobicContact CD2-CB 4.06Å; L702-D706 HydrophobicContact CG-CB 4.47Å; L702-M707 HydrophobicContact CB-CG 4.35Å; L702-M707 HydrophobicContact CB-SD 4.36Å; L702-M707 HydrophobicContact CD1-SD 4.21Å; L702-L776 HydrophobicContact CD1-CD2 4.42Å; L702-L779 HydrophobicContact CD2-CD1 3.7Å; L702-F801 HydrophobicContact CD1-CE1 3.59Å; L702-F801 HydrophobicContact CD1-CZ 3.59Å
703S92.2Very high90.4Very high51 Ų5135.1 Ų35.136%0.35720%0.203SC..  trans-74.1164.4172.8690000111.7L705 D706 M707S703-L705 PolarHBondContact O-N 3.41Å; S703-D706 WeakPolarHBondContact CB-OD2 3.39Å; S703-D706 PolarHBondContact N-OD2 3.33Å; S703-D706 PolarHBondContact O-N 3.19Å; S703-D706 VanDerWaalsContact O-N 3.14Å; S703-D706 PolarHBondContact OG-N 3.03Å; S703-D706 PolarHBondContact OG-OD2 3.04Å; S703-M707 PolarHBondContact O-N 3.47Å
704E92Very high91.3Very high45 Ų4530 Ų3021%0.2117%0.167CC..Hα-helixtrans-55.4-40.1173.2-73.9-176-10500112.5Y504 M707 M708 L750 I827Y504-E704 HydrophobicContact CE1-CB 4.25Å; Y504-E704 HydrophobicContact CE1-CG 4.31Å; E704-M707 PolarHBondContact O-N 2.88Å; E704-M708 WeakPolarHBondContact O-CG 3.35Å; E704-M708 PolarHBondContact O-N 2.64Å; E704-L750 HydrophobicContact CB-CD1 4.19Å; E704-L750 HydrophobicContact CB-CD2 4.09Å; E704-I827 HydrophobicContact CB-CD1 4.46Å; E704-I827 HydrophobicContact CG-CD1 3.33Å; E704-I827 HydrophobicContact CG-CG2 4.18Å
705L92.8Very high91.8Very high12 Ų1227.5 Ų27.56%0.06315%0.148CC..Hα-helixtrans-68.1-40.2178.1-173.164.7000111.5S703 M707 M708 V709 L747 L750 L765 K768 V769S703-L705 PolarHBondContact O-N 3.41Å; L705-M707 VanDerWaalsContact C-N 3.28Å; L705-M707 PolarHBondContact O-N 2.66Å; L705-M708 PolarHBondContact O-N 3.44Å; L705-V709 HydrophobicContact CD1-CG2 4.49Å; L705-V709 HydrophobicContact CG-CG2 4.45Å; L705-V709 VanDerWaalsContact O-CG2 3.32Å; L705-V709 WeakPolarHBondContact O-CG2 3.29Å; L705-V709 PolarHBondContact O-N 3.35Å; L705-L747 HydrophobicContact CD1-CD2 4.14Å; L705-L750 HydrophobicContact CB-CD1 4.31Å; L705-L750 HydrophobicContact CD1-CD1 4.4Å; L705-L765 HydrophobicContact CD1-CD1 4.28Å; L705-K768 HydrophobicContact CD2-CB 3.48Å; L705-K768 VanDerWaalsContact CD2-CB 3.48Å; L705-K768 HydrophobicContact CD2-CD 4.41Å; L705-V769 HydrophobicContact CD1-CG2 4.19Å; L705-V769 HydrophobicContact CD2-CG2 4.5Å
706D94.8Very high92.2Very high6 Ų626.2 Ų26.23%0.03214%0.141CC..Hα-helixtrans-61.8-39.2175.7-60.1-38000111.3L702 S703 G710 S772 R775L702-D706 HydrophobicContact CB-CB 4.04Å; L702-D706 HydrophobicContact CD2-CB 4.06Å; L702-D706 HydrophobicContact CG-CB 4.47Å; S703-D706 WeakPolarHBondContact CB-OD2 3.39Å; S703-D706 PolarHBondContact N-OD2 3.33Å; S703-D706 PolarHBondContact O-N 3.19Å; S703-D706 VanDerWaalsContact O-N 3.14Å; S703-D706 PolarHBondContact OG-N 3.03Å; S703-D706 PolarHBondContact OG-OD2 3.04Å; D706-G710 PolarHBondContact O-N 2.97Å; D706-S772 VanDerWaalsContact OD1-CA 3.27Å; D706-S772 WeakPolarHBondContact OD1-CA 3.35Å; D706-S772 WeakPolarHBondContact OD1-CB 3.36Å; D706-S772 PolarHBondContact OD1-OG 2.92Å; D706-R775 IonicContact OD2-NE 2.84Å
707M94.8Very high92.4Very high0 Ų020.5 Ų20.50%011%0.111CC..Hα-helixtrans-63.9-44.4174.9-75.2-61.2-62.500112.3Y504 W509 A510 L511 L702 S703 E704 L705 G710 K711 F801Y504-M707 HydrophobicContact CE2-CB 3.99Å; Y504-M707 WeakPolarHBondContact OH-CB 3.29Å; W509-M707 HydrophobicContact CD2-CE 4.15Å; W509-M707 HydrophobicContact CE3-CE 3.96Å; W509-M707 HydrophobicContact CH2-CE 3.69Å; W509-M707 HydrophobicContact CZ2-CE 3.84Å; W509-M707 HydrophobicContact CZ3-CE 3.76Å; A510-M707 HydrophobicContact CB-CG 4.05Å; L511-M707 HydrophobicContact CB-SD 4.03Å; L511-M707 HydrophobicContact CD1-CE 4.39Å; L511-M707 HydrophobicContact CD1-SD 4.11Å; L511-M707 HydrophobicContact CG-CE 4.12Å; L511-M707 HydrophobicContact CG-SD 3.91Å; L511-M707 PolarHBondContact N-SD 2.77Å; L511-M707 VanDerWaalsContact N-SD 3.38Å; L702-M707 HydrophobicContact CB-CG 4.35Å; L702-M707 HydrophobicContact CB-SD 4.36Å; L702-M707 HydrophobicContact CD1-SD 4.21Å; S703-M707 PolarHBondContact O-N 3.47Å; E704-M707 PolarHBondContact O-N 2.88Å; L705-M707 VanDerWaalsContact C-N 3.28Å; L705-M707 PolarHBondContact O-N 2.66Å; M707-G710 PolarHBondContact O-N 3.02Å; M707-K711 WeakPolarHBondContact O-CB 3.46Å; M707-K711 WeakPolarHBondContact O-CG 3.46Å; M707-K711 PolarHBondContact O-N 3.35Å; M707-F801 HydrophobicContact CE-CD1 4.02Å; M707-F801 HydrophobicContact SD-CD1 3.73Å; M707-F801 HydrophobicContact SD-CE1 3.7Å
708M93.8Very high92.6Very high0 Ų020.3 Ų20.30%011%0.11CC..Hα-helixtrans-62.8-50.1176.8-72.5-60.7-68.200111.4V501 Y504 F505 E704 L705 G710 K711 I712 L738 A742V501-M708 HydrophobicContact CG1-CE 3.69Å; Y504-M708 VanDerWaalsContact CB-SD 3.6Å; Y504-M708 HydrophobicContact CD1-CG 3.91Å; Y504-M708 HydrophobicContact CD1-SD 3.37Å; Y504-M708 WeakPolarHBondContact CD1-SD 3.46Å; Y504-M708 HydrophobicContact CD2-SD 4.32Å; Y504-M708 HydrophobicContact CE1-CG 4.13Å; Y504-M708 HydrophobicContact CE1-SD 4.14Å; Y504-M708 HydrophobicContact CG-SD 3.48Å; F505-M708 HydrophobicContact CE2-CE 4.13Å; F505-M708 HydrophobicContact CE2-SD 4.49Å; F505-M708 HydrophobicContact CZ-CG 4.34Å; E704-M708 WeakPolarHBondContact O-CG 3.35Å; E704-M708 PolarHBondContact O-N 2.64Å; L705-M708 PolarHBondContact O-N 3.44Å; M708-G710 VanDerWaalsContact C-N 3.29Å; M708-G710 PolarHBondContact O-N 3.43Å; M708-K711 PolarHBondContact O-N 2.83Å; M708-I712 WeakPolarHBondContact O-CG1 3.17Å; M708-I712 PolarHBondContact O-N 2.73Å; M708-L738 HydrophobicContact CB-CD1 4.24Å; M708-A742 HydrophobicContact CE-CB 3.45Å; M708-A742 VanDerWaalsContact CE-CB 3.45Å
709V95.4Very high92.6Very high1 Ų117.4 Ų17.41%0.0069%0.091CC..Hα-helixtrans-58.7-43.3176.5175.60000110.6L705 I712 L713 L734 V769 L776L705-V709 HydrophobicContact CD1-CG2 4.49Å; L705-V709 HydrophobicContact CG-CG2 4.45Å; L705-V709 VanDerWaalsContact O-CG2 3.32Å; L705-V709 WeakPolarHBondContact O-CG2 3.29Å; L705-V709 PolarHBondContact O-N 3.35Å; V709-I712 PolarHBondContact O-N 3.38Å; V709-L713 HydrophobicContact CG1-CD1 4.11Å; V709-L713 HydrophobicContact CG1-CG 4.42Å; V709-L713 VanDerWaalsContact O-CG 3.28Å; V709-L713 WeakPolarHBondContact O-CG 3.31Å; V709-L713 PolarHBondContact O-N 3.19Å; V709-L734 HydrophobicContact CG1-CD2 4.09Å; V709-V769 HydrophobicContact CG2-CG1 4.1Å; V709-V769 HydrophobicContact CG2-CG2 4.35Å; V709-L776 HydrophobicContact CB-CD1 4.14Å; V709-L776 HydrophobicContact CG1-CD1 3.73Å
710G96.1Very high92.5Very high0 Ų012.8 Ų12.80%07%0.074CC..Hα-helixtrans-64.1-39.217700000114.1D706 M707 M708 L713 C714 F801D706-G710 PolarHBondContact O-N 2.97Å; M707-G710 PolarHBondContact O-N 3.02Å; M708-G710 VanDerWaalsContact C-N 3.29Å; M708-G710 PolarHBondContact O-N 3.43Å; G710-L713 PolarHBondContact O-N 2.79Å; G710-C714 PolarHBondContact O-N 2.79Å; G710-F801 VanDerWaalsContact C-CG 3.45Å
711K95Very high92.1Very high0 Ų015.8 Ų15.80%09%0.085CC..Hα-helixtrans-65.2-41173.9-77.7-178171.6-66.80112L497 S500 V501 Y504 M707 M708 C714 Y715 F801 D804L497-K711 HydrophobicContact CD1-CB 4.38Å; L497-K711 HydrophobicContact CD1-CG 4.31Å; S500-K711 WeakPolarHBondContact OG-CE 3.41Å; S500-K711 PolarHBondContact OG-NZ 3.18Å; V501-K711 HydrophobicContact CG2-CB 3.69Å; V501-K711 HydrophobicContact CG2-CD 4.32Å; Y504-K711 HydrophobicContact CD2-CD 4.2Å; M707-K711 WeakPolarHBondContact O-CB 3.46Å; M707-K711 WeakPolarHBondContact O-CG 3.46Å; M707-K711 PolarHBondContact O-N 3.35Å; M708-K711 PolarHBondContact O-N 2.83Å; K711-C714 PolarHBondContact O-N 3.39Å; K711-Y715 PolarHBondContact O-N 2.86Å; K711-F801 HydrophobicContact CG-CB 4.04Å; K711-F801 WeakPolarHBondContact CG-O 3.43Å; K711-F801 PolarHBondContact NZ-O 3.43Å; K711-D804 VanDerWaalsContact NZ-CG 3.33Å; K711-D804 IonicContact NZ-OD1 2.97Å; K711-D804 PolarHBondContact NZ-OD1 2.96Å; K711-D804 IonicContact NZ-OD2 3.51Å; K711-D804 PolarHBondContact NZ-OD2 2.98Å
712I94.9Very high91.8Very high0 Ų013.2 Ų13.20%07%0.068CC..Hα-helixtrans-64.8-43.2174.2-60.3-65.8000110.9V501 M708 V709 C714 Y715 L716 L734 E737 L738 L741V501-I712 HydrophobicContact CG1-CD1 3.73Å; V501-I712 HydrophobicContact CG2-CD1 4.2Å; M708-I712 WeakPolarHBondContact O-CG1 3.17Å; M708-I712 PolarHBondContact O-N 2.73Å; V709-I712 PolarHBondContact O-N 3.38Å; I712-C714 VanDerWaalsContact C-N 3.27Å; I712-C714 PolarHBondContact O-N 2.96Å; I712-Y715 WeakPolarHBondContact O-CA 3.47Å; I712-Y715 WeakPolarHBondContact O-CB 3.44Å; I712-Y715 PolarHBondContact O-N 3.37Å; I712-L716 HydrophobicContact CG2-CD1 4.12Å; I712-L716 HydrophobicContact CG2-CG 4.23Å; I712-L716 WeakPolarHBondContact O-CG 3.41Å; I712-L716 PolarHBondContact O-N 3.23Å; I712-L734 HydrophobicContact CB-CD1 4.21Å; I712-L734 HydrophobicContact CG2-CD1 3.68Å; I712-E737 HydrophobicContact CG2-CB 4.1Å; I712-E737 HydrophobicContact CG2-CG 4.1Å; I712-L738 HydrophobicContact CD1-CD1 4.35Å; I712-L738 HydrophobicContact CG1-CB 4.29Å; I712-L738 HydrophobicContact CG1-CD1 3.66Å; I712-L741 HydrophobicContact CD1-CB 3.89Å; I712-L741 HydrophobicContact CD1-CD1 3.78Å; I712-L741 HydrophobicContact CD1-CG 4.33Å
713L95.5Very high91.3Very high0 Ų012.9 Ų12.90%07%0.066CC..Hα-helixtrans-58.4-40.7174.8-72.5168.9000111.7V709 G710 Y715 L716 Y717 L734 L773 L776 V782 F792 I794 V798V709-L713 HydrophobicContact CG1-CD1 4.11Å; V709-L713 HydrophobicContact CG1-CG 4.42Å; V709-L713 VanDerWaalsContact O-CG 3.28Å; V709-L713 WeakPolarHBondContact O-CG 3.31Å; V709-L713 PolarHBondContact O-N 3.19Å; G710-L713 PolarHBondContact O-N 2.79Å; L713-Y715 VanDerWaalsContact C-N 3.35Å; L713-L716 PolarHBondContact O-N 3.01Å; L713-Y717 WeakPolarHBondContact O-CB 2.99Å; L713-Y717 PolarHBondContact O-N 2.99Å; L713-L734 HydrophobicContact CD2-CD1 3.95Å; L713-L734 HydrophobicContact CD2-CD2 4.33Å; L713-L734 HydrophobicContact CG-CD1 4.14Å; L713-L773 HydrophobicContact CD1-CD1 4.15Å; L713-L773 HydrophobicContact CD2-CD1 4.32Å; L713-L776 HydrophobicContact CD1-CD1 3.7Å; L713-V782 HydrophobicContact CD1-CG1 3.77Å; L713-V782 HydrophobicContact CD2-CG1 3.88Å; L713-V782 HydrophobicContact CG-CG1 4.46Å; L713-F792 HydrophobicContact CD2-CE2 3.54Å; L713-F792 HydrophobicContact CD2-CZ 4.07Å; L713-I794 HydrophobicContact CB-CD1 4.47Å; L713-I794 HydrophobicContact CB-CG2 4.31Å; L713-I794 HydrophobicContact CD2-CD1 3.78Å; L713-I794 HydrophobicContact CD2-CG1 3.96Å; L713-V798 HydrophobicContact CB-CG1 3.97Å
714C94.3Very high90.5Very high0 Ų012.5 Ų12.50%07%0.067CC..Hα-helixtrans-64.4-39174.1-1740000112.3L497 G710 K711 I712 Y717 L718 V798L497-C714 HydrophobicContact CD2-CB 3.8Å; L497-C714 VanDerWaalsContact CD2-SG 3.54Å; G710-C714 PolarHBondContact O-N 2.79Å; K711-C714 PolarHBondContact O-N 3.39Å; I712-C714 VanDerWaalsContact C-N 3.27Å; I712-C714 PolarHBondContact O-N 2.96Å; C714-Y717 WeakPolarHBondContact O-CB 3.14Å; C714-Y717 PolarHBondContact O-N 2.88Å; C714-L718 WeakPolarHBondContact O-CG 3.42Å; C714-L718 PolarHBondContact O-N 3.28Å; C714-V798 HydrophobicContact CB-CB 4.08Å; C714-V798 HydrophobicContact CB-CG2 4Å; C714-V798 WeakPolarHBondContact CB-O 3.1Å
715Y92.4Very high89.8Confident30 Ų3013 Ų1312%0.1187%0.071CC..Hα-helixtrans-64.4-47.3175179.2-99.1000112R498 K711 I712 L713 Y717 L718 S719 E737 L741R498-Y715 HydrophobicContact CB-CD2 4.26Å; R498-Y715 HydrophobicContact CB-CE2 3.95Å; R498-Y715 HydrophobicContact CG-CE2 4.34Å; K711-Y715 PolarHBondContact O-N 2.86Å; I712-Y715 WeakPolarHBondContact O-CA 3.47Å; I712-Y715 WeakPolarHBondContact O-CB 3.44Å; I712-Y715 PolarHBondContact O-N 3.37Å; L713-Y715 VanDerWaalsContact C-N 3.35Å; Y715-Y717 VanDerWaalsContact C-N 3.29Å; Y715-Y717 PolarHBondContact O-N 3.01Å; Y715-L718 CarbonylContact O-C 3.59Å; Y715-L718 PolarHBondContact O-N 3.21Å; Y715-L718 VanDerWaalsContact O-N 3.09Å; Y715-S719 PolarHBondContact O-N 3.43Å; Y715-E737 HydrophobicContact CD1-CG 4.3Å; Y715-E737 HydrophobicContact CE1-CG 4.41Å; Y715-E737 VanDerWaalsContact CE1-OE1 3.31Å; Y715-E737 WeakPolarHBondContact CE1-OE1 3.43Å; Y715-L741 HydrophobicContact CD1-CD1 3.68Å; Y715-L741 HydrophobicContact CE1-CD1 3.76Å; Y715-L741 HydrophobicContact CG-CD1 4.09Å
716L92.1Very high89.2Confident3 Ų316.1 Ų16.12%0.0169%0.085CC..Hα-helixtrans-61.3-35.5175.9-69.5177.2000112.3I712 L713 L718 S719 F729 L734 E737 I794I712-L716 HydrophobicContact CG2-CD1 4.12Å; I712-L716 HydrophobicContact CG2-CG 4.23Å; I712-L716 WeakPolarHBondContact O-CG 3.41Å; I712-L716 PolarHBondContact O-N 3.23Å; L713-L716 PolarHBondContact O-N 3.01Å; L716-L718 PolarHBondContact O-N 3.48Å; L716-S719 PolarHBondContact O-N 2.91Å; L716-S719 VanDerWaalsContact O-N 3.15Å; L716-F729 HydrophobicContact CB-CE1 4Å; L716-F729 HydrophobicContact CB-CZ 4.11Å; L716-F729 HydrophobicContact CD1-CD1 4.24Å; L716-F729 HydrophobicContact CD1-CE1 4.45Å; L716-F729 HydrophobicContact CD2-CE1 4.18Å; L716-F729 HydrophobicContact CG-CE1 4.44Å; L716-L734 HydrophobicContact CD1-CD1 3.96Å; L716-E737 HydrophobicContact CD2-CB 4.26Å; L716-E737 HydrophobicContact CD2-CG 3.91Å; L716-E737 HydrophobicContact CG-CG 4.5Å; L716-I794 HydrophobicContact CB-CD1 3.71Å; L716-I794 HydrophobicContact CD1-CD1 4.44Å
717Y91.2Very high88.6Confident1 Ų116.1 Ų16.10%0.0049%0.086CC..Hα-helixtrans-60.7-32.4175.4-170.3-88.9000112.9L713 C714 Y715 R722 I794 V798 F799L713-Y717 WeakPolarHBondContact O-CB 2.99Å; L713-Y717 PolarHBondContact O-N 2.99Å; C714-Y717 WeakPolarHBondContact O-CB 3.14Å; C714-Y717 PolarHBondContact O-N 2.88Å; Y715-Y717 VanDerWaalsContact C-N 3.29Å; Y715-Y717 PolarHBondContact O-N 3.01Å; Y717-R722 VanDerWaalsContact CE2-NH1 3.3Å; Y717-R722 WeakPolarHBondContact O-CD 2.93Å; Y717-R722 PolarHBondContact O-NH1 3.22Å; Y717-R722 VanDerWaalsContact O-NH1 3.11Å; Y717-I794 HydrophobicContact CD2-CB 3.97Å; Y717-I794 HydrophobicContact CD2-CG2 3.76Å; Y717-I794 WeakPolarHBondContact CE2-O 3.48Å; Y717-I794 HydrophobicContact CG-CG2 4.39Å; Y717-V798 HydrophobicContact CD2-CG2 4.36Å; Y717-V798 HydrophobicContact CG-CG2 4.16Å; Y717-F799 AromaticContact CD1-CE2 3.7Å; Y717-F799 HydrophobicContact CD1-CE2 3.7Å; Y717-F799 HydrophobicContact CD1-CZ 4.07Å; Y717-F799 HydrophobicContact CE1-CD2 4.44Å; Y717-F799 AromaticContact CE1-CE2 3.49Å; Y717-F799 HydrophobicContact CE1-CE2 3.49Å; Y717-F799 VanDerWaalsContact CE1-CE2 3.49Å; Y717-F799 HydrophobicContact CE1-CZ 4.09Å
718L89.6Confident88.3Confident3 Ų318.3 Ų18.32%0.01610%0.098CC..Hα-helixtrans-92-10.8177.7-60.2169.8000113.4W393 F480 A484 F493 A494 L497 C714 Y715 L716 F799W393-L718 WeakPolarHBondContact CH2-O 3.45Å; F480-L718 WeakPolarHBondContact CZ-O 3.27Å; A484-L718 HydrophobicContact CB-CD2 3.91Å; F493-L718 HydrophobicContact CD1-CD1 3.5Å; F493-L718 VanDerWaalsContact CD1-CD1 3.5Å; F493-L718 HydrophobicContact CE1-CD1 3.51Å; A494-L718 HydrophobicContact CB-CB 4.38Å; A494-L718 HydrophobicContact CB-CD1 3.97Å; L497-L718 HydrophobicContact CD2-CD1 4.19Å; C714-L718 WeakPolarHBondContact O-CG 3.42Å; C714-L718 PolarHBondContact O-N 3.28Å; Y715-L718 CarbonylContact O-C 3.59Å; Y715-L718 PolarHBondContact O-N 3.21Å; Y715-L718 VanDerWaalsContact O-N 3.09Å; L716-L718 PolarHBondContact O-N 3.48Å; L718-F799 HydrophobicContact CD2-CE1 3.87Å; L718-F799 HydrophobicContact CD2-CZ 3.72Å
719S87Confident88.3Confident10 Ų1018.4 Ų18.47%0.0710%0.098CC..SBendtrans-74.1135.8-177.7-176.50000110.8F480 Y715 L716 E721 R722F480-S719 VanDerWaalsContact CE2-O 3.3Å; F480-S719 WeakPolarHBondContact CE2-O 3.16Å; Y715-S719 PolarHBondContact O-N 3.43Å; L716-S719 PolarHBondContact O-N 2.91Å; L716-S719 VanDerWaalsContact O-N 3.15Å; S719-E721 PolarHBondContact O-N 2.75Å; S719-E721 VanDerWaalsContact O-N 3.13Å; S719-E721 WeakPolarHBondContact OG-CB 3.24Å; S719-E721 WeakPolarHBondContact OG-CG 3.5Å; S719-E721 PolarHBondContact OG-N 2.77Å; S719-E721 PolarHBondContact OG-OE2 3.34Å; S719-R722 WeakPolarHBondContact O-CB 3.47Å; S719-R722 PolarHBondContact O-N 3.12Å
720P84.9Confident88.1Confident5 Ų520.1 Ų20.13%0.03211%0.108CC..THydrogen-bonded Turntrans-56.4-22.1169.4-24.834.6000113.8N390 W393 F480 R722 L723N390-P720 HydrophobicContact CB-CB 4.23Å; N390-P720 HydrophobicContact CB-CG 3.88Å; W393-P720 HydrophobicContact CZ3-CG 4.17Å; F480-P720 HydrophobicContact CZ-CG 4.41Å; P720-R722 PolarHBondContact O-N 3.42Å; P720-R722 VanDerWaalsContact O-N 3.16Å; P720-L723 VanDerWaalsContact O-CB 3.29Å; P720-L723 WeakPolarHBondContact O-CB 3.26Å; P720-L723 PolarHBondContact O-N 2.93Å
721E80.3Confident87.9Confident93 Ų9322.1 Ų22.144%0.43512%0.118SC..Hα-helixtrans-57.6-26.9173.4-67.6162.1164.400112.4S719 L723 A724 N725S719-E721 PolarHBondContact O-N 2.75Å; S719-E721 VanDerWaalsContact O-N 3.13Å; S719-E721 WeakPolarHBondContact OG-CB 3.24Å; S719-E721 WeakPolarHBondContact OG-CG 3.5Å; S719-E721 PolarHBondContact OG-N 2.77Å; S719-E721 PolarHBondContact OG-OE2 3.34Å; E721-L723 PolarHBondContact O-N 3.47Å; E721-A724 PolarHBondContact O-N 2.98Å; E721-A724 VanDerWaalsContact O-N 3.16Å; E721-N725 PolarHBondContact O-N 3.11Å
722R85.6Confident87.7Confident10 Ų1026.8 Ų26.84%0.03814%0.14CC..Hα-helixtrans-53.2-36.6171.4-172.7178.6165.6-1744.5111.6H476 F480 Y717 S719 P720 E726 G727 F729H476-R722 PolarHBondContact CE1-O 3.02Å; H476-R722 VanDerWaalsContact CE1-O 3.27Å; F480-R722 HydrophobicContact CD2-CB 4.46Å; F480-R722 HydrophobicContact CE2-CB 4.43Å; Y717-R722 VanDerWaalsContact CE2-NH1 3.3Å; Y717-R722 WeakPolarHBondContact O-CD 2.93Å; Y717-R722 PolarHBondContact O-NH1 3.22Å; Y717-R722 VanDerWaalsContact O-NH1 3.11Å; S719-R722 WeakPolarHBondContact O-CB 3.47Å; S719-R722 PolarHBondContact O-N 3.12Å; P720-R722 PolarHBondContact O-N 3.42Å; P720-R722 VanDerWaalsContact O-N 3.16Å; R722-E726 PolarHBondContact O-N 2.87Å; R722-E726 VanDerWaalsContact O-N 3.14Å; R722-G727 PolarHBondContact O-N 2.91Å; R722-F729 HydrophobicContact CB-CE2 4.44Å; R722-F729 HydrophobicContact CB-CZ 3.85Å; R722-F729 HydrophobicContact CG-CE2 4.1Å; R722-F729 HydrophobicContact CG-CZ 4.01Å
723L81.8Confident87.6Confident0 Ų029.7 Ų29.70%015%0.153CC..Hα-helixtrans-69.6-45.9179.5-64.1176.6000111.8I385 L389 Y473 V477 F480 P720 E721 N725 E726I385-L723 HydrophobicContact CG2-CD1 4.24Å; L389-L723 HydrophobicContact CD1-CD1 3.35Å; Y473-L723 WeakPolarHBondContact CE2-O 3.44Å; V477-L723 HydrophobicContact CB-CD2 4.34Å; V477-L723 HydrophobicContact CG2-CD1 4.49Å; V477-L723 HydrophobicContact CG2-CD2 3.9Å; F480-L723 HydrophobicContact CB-CD2 3.61Å; F480-L723 HydrophobicContact CB-CG 4.34Å; F480-L723 HydrophobicContact CD1-CD1 3.98Å; F480-L723 HydrophobicContact CD1-CD2 4.44Å; F480-L723 HydrophobicContact CD1-CG 4.32Å; F480-L723 HydrophobicContact CD2-CD2 4.37Å; F480-L723 HydrophobicContact CD2-CG 4.35Å; F480-L723 HydrophobicContact CE1-CD1 4.36Å; F480-L723 HydrophobicContact CG-CD1 4.23Å; F480-L723 HydrophobicContact CG-CD2 3.9Å; F480-L723 HydrophobicContact CG-CG 4.08Å; P720-L723 VanDerWaalsContact O-CB 3.29Å; P720-L723 WeakPolarHBondContact O-CB 3.26Å; P720-L723 PolarHBondContact O-N 2.93Å; E721-L723 PolarHBondContact O-N 3.47Å; L723-N725 PolarHBondContact O-N 2.59Å; L723-E726 PolarHBondContact O-N 3.13Å; L723-E726 VanDerWaalsContact O-N 3.13Å
724A76Confident87.5Confident44 Ų4429.8 Ų29.836%0.36415%0.154SC..Hα-helixtrans-58.4-39.1176.600000111.3E721 E726E721-A724 PolarHBondContact O-N 2.98Å; E721-A724 VanDerWaalsContact O-N 3.16Å; A724-E726 VanDerWaalsContact C-N 3.33Å; A724-E726 PolarHBondContact O-N 2.83Å
725N77.4Confident87.4Confident54 Ų5430.4 Ų30.429%0.28916%0.156SC..THydrogen-bonded Turntrans-87.13.5-178.7-69-0.4000114.2E721 L723 G727 I728 E733E721-N725 PolarHBondContact O-N 3.11Å; L723-N725 PolarHBondContact O-N 2.59Å; N725-G727 PolarHBondContact O-N 2.91Å; N725-I728 WeakPolarHBondContact CB-O 3.37Å; N725-I728 PolarHBondContact O-N 3.44Å; N725-E733 PolarHBondContact ND2-OE2 3.41Å
726E79.4Confident87.4Confident78 Ų7832.5 Ų32.536%0.36417%0.17SC..THydrogen-bonded Turntrans50.330.9-174.2-60.9-176.1-178.700113.6K382 Y473 R722 L723 A724 I728K382-E726 IonicContact NZ-OE1 3.31Å; K382-E726 PolarHBondContact NZ-OE1 3.19Å; Y473-E726 HydrophobicContact CD2-CG 4.38Å; R722-E726 PolarHBondContact O-N 2.87Å; R722-E726 VanDerWaalsContact O-N 3.14Å; L723-E726 PolarHBondContact O-N 3.13Å; L723-E726 VanDerWaalsContact O-N 3.13Å; A724-E726 VanDerWaalsContact C-N 3.33Å; A724-E726 PolarHBondContact O-N 2.83Å; E726-I728 VanDerWaalsContact C-N 3.3Å; E726-I728 PolarHBondContact O-N 2.88Å
727G83.7Confident87.4Confident6 Ų633.9 Ų33.96%0.06218%0.176CC..THydrogen-bonded Turntrans79.63.4-179.300000115.3H476 R722 N725 R793H476-G727 PolarHBondContact CE1-N 2.88Å; R722-G727 PolarHBondContact O-N 2.91Å; N725-G727 PolarHBondContact O-N 2.91Å; G727-R793 WeakPolarHBondContact O-CG 3.14Å
728I88.9Confident87.5Confident46 Ų4633.9 Ų33.924%0.23618%0.176CC..EExtended strand (participates in β ladder)trans-102.2112.7179.6-56.8172.8000109.8N725 E726 M785 K791 F792 R793N725-I728 WeakPolarHBondContact CB-O 3.37Å; N725-I728 PolarHBondContact O-N 3.44Å; E726-I728 VanDerWaalsContact C-N 3.3Å; E726-I728 PolarHBondContact O-N 2.88Å; I728-M785 HydrophobicContact CD1-CE 4Å; I728-M785 HydrophobicContact CG1-CE 4.49Å; I728-M785 HydrophobicContact CG2-CG 4.2Å; I728-K791 HydrophobicContact CG2-CB 3.96Å; I728-K791 HydrophobicContact CG2-CD 4.23Å; I728-K791 HydrophobicContact CG2-CG 4.38Å; I728-F792 CarbonylContact C-O 3.59Å; I728-F792 WeakPolarHBondContact CA-O 3.1Å; I728-R793 HydrophobicContact CG1-CG 4.14Å
729F92.1Very high87.7Confident3 Ų336.1 Ų36.11%0.01319%0.187CC..EExtended strand (participates in β ladder)trans-102.3156.6178.3-63.2-91.8000111.5L716 R722 E733 K791 F792 I794L716-F729 HydrophobicContact CB-CE1 4Å; L716-F729 HydrophobicContact CB-CZ 4.11Å; L716-F729 HydrophobicContact CD1-CD1 4.24Å; L716-F729 HydrophobicContact CD1-CE1 4.45Å; L716-F729 HydrophobicContact CD2-CE1 4.18Å; L716-F729 HydrophobicContact CG-CE1 4.44Å; R722-F729 HydrophobicContact CB-CE2 4.44Å; R722-F729 HydrophobicContact CB-CZ 3.85Å; R722-F729 HydrophobicContact CG-CE2 4.1Å; R722-F729 HydrophobicContact CG-CZ 4.01Å; F729-E733 VanDerWaalsContact CA-OE2 3.31Å; F729-E733 WeakPolarHBondContact CA-OE2 3.46Å; F729-K791 CarbonylContact O-C 3.56Å; F729-K791 WeakPolarHBondContact O-CA 3.31Å; F729-F792 HydrophobicContact CB-CD2 4.41Å; F729-F792 HydrophobicContact CB-CE1 4.26Å; F729-F792 HydrophobicContact CB-CE2 3.84Å; F729-F792 HydrophobicContact CB-CZ 3.75Å; F729-F792 PolarHBondContact N-O 3.38Å; F729-F792 PolarHBondContact O-N 3.25Å; F729-I794 HydrophobicContact CD2-CD1 3.63Å; F729-I794 HydrophobicContact CD2-CG1 3.8Å; F729-I794 HydrophobicContact CE2-CD1 3.62Å; F729-I794 HydrophobicContact CE2-CG1 4.02Å; F729-I794 HydrophobicContact CG-CD1 4.23Å; F729-I794 HydrophobicContact CZ-CD1 4.22Å
730T92.4Very high87.9Confident36 Ų3640.1 Ų40.122%0.22121%0.212CC..EExtended strand (participates in β ladder)trans-100.8156.5171.665.20000112Q732 E733 L734 S790 K791T730-Q732 PolarHBondContact O-N 3.35Å; T730-E733 WeakPolarHBondContact CG2-OE1 3.38Å; T730-E733 PolarHBondContact N-OE2 2.9Å; T730-E733 VanDerWaalsContact N-OE2 3.09Å; T730-E733 PolarHBondContact O-N 3.17Å; T730-E733 VanDerWaalsContact OG1-CG 3.28Å; T730-E733 WeakPolarHBondContact OG1-CG 3.46Å; T730-E733 PolarHBondContact OG1-N 3.33Å; T730-E733 PolarHBondContact OG1-OE1 3.03Å; T730-L734 PolarHBondContact O-N 3.34Å; T730-S790 CarbonylContact C-O 3.6Å; T730-S790 WeakPolarHBondContact CA-O 3.42Å; T730-K791 HydrophobicContact CG2-CG 4.29Å
731Q92Very high88.2Confident43 Ų4340.1 Ų40.120%0.20121%0.211CC..Hα-helixtrans-58.1-31.8171.9-71.8-175.816.800112.2Y735 L773 S789 S790Q731-Y735 WeakPolarHBondContact O-CB 3.36Å; Q731-Y735 PolarHBondContact O-N 3.36Å; Q731-L773 HydrophobicContact CG-CD2 3.92Å; Q731-S789 VanDerWaalsContact NE2-C 3.35Å; Q731-S789 PolarHBondContact NE2-O 2.87Å; Q731-S789 PolarHBondContact NE2-OG 3.07Å; Q731-S790 PolarHBondContact N-O 3.38Å
732Q90.9Very high88.7Confident98 Ų9836.1 Ų36.146%0.45820%0.195SC..Hα-helixtrans-69.1-47.7178.8-172.759.338.500111.2T730 L734 Y735 D736T730-Q732 PolarHBondContact O-N 3.35Å; Q732-L734 VanDerWaalsContact C-N 3.3Å; Q732-L734 PolarHBondContact O-N 2.84Å; Q732-Y735 WeakPolarHBondContact O-CB 3.27Å; Q732-Y735 PolarHBondContact O-N 3.35Å; Q732-Y735 VanDerWaalsContact O-N 3.08Å; Q732-D736 VanDerWaalsContact NE2-CG 3.31Å; Q732-D736 PolarHBondContact NE2-OD1 3.23Å; Q732-D736 PolarHBondContact NE2-OD2 3.4Å; Q732-D736 VanDerWaalsContact NE2-OD2 3.11Å; Q732-D736 VanDerWaalsContact O-CG 3.28Å; Q732-D736 PolarHBondContact O-N 3.41Å
733E91.3Very high88.8Confident61 Ų6139.1 Ų39.129%0.28521%0.211SC..Hα-helixtrans-56.1-44.3174.7-75.2152.9-138.400112.2N725 F729 T730 Y735 D736 E737N725-E733 PolarHBondContact ND2-OE2 3.41Å; F729-E733 VanDerWaalsContact CA-OE2 3.31Å; F729-E733 WeakPolarHBondContact CA-OE2 3.46Å; T730-E733 WeakPolarHBondContact CG2-OE1 3.38Å; T730-E733 PolarHBondContact N-OE2 2.9Å; T730-E733 VanDerWaalsContact N-OE2 3.09Å; T730-E733 PolarHBondContact O-N 3.17Å; T730-E733 VanDerWaalsContact OG1-CG 3.28Å; T730-E733 WeakPolarHBondContact OG1-CG 3.46Å; T730-E733 PolarHBondContact OG1-N 3.33Å; T730-E733 PolarHBondContact OG1-OE1 3.03Å; E733-Y735 VanDerWaalsContact C-N 3.32Å; E733-Y735 PolarHBondContact O-N 3.18Å; E733-D736 PolarHBondContact O-N 3.03Å; E733-E737 WeakPolarHBondContact O-CB 3.31Å; E733-E737 PolarHBondContact O-N 3.15Å
734L93.7Very high89.1Confident2 Ų242 Ų421%0.0123%0.225CC..Hα-helixtrans-61.2-41.6176.4176.364.3000112.2V709 I712 L713 L716 T730 Q732 L738 L773 F792V709-L734 HydrophobicContact CG1-CD2 4.09Å; I712-L734 HydrophobicContact CB-CD1 4.21Å; I712-L734 HydrophobicContact CG2-CD1 3.68Å; L713-L734 HydrophobicContact CD2-CD1 3.95Å; L713-L734 HydrophobicContact CD2-CD2 4.33Å; L713-L734 HydrophobicContact CG-CD1 4.14Å; L716-L734 HydrophobicContact CD1-CD1 3.96Å; T730-L734 PolarHBondContact O-N 3.34Å; Q732-L734 VanDerWaalsContact C-N 3.3Å; Q732-L734 PolarHBondContact O-N 2.84Å; L734-L738 VanDerWaalsContact O-CB 3.27Å; L734-L738 WeakPolarHBondContact O-CB 3.22Å; L734-L738 PolarHBondContact O-N 3.25Å; L734-L773 HydrophobicContact CD2-CD1 3.84Å; L734-L773 HydrophobicContact CD2-CD2 4.11Å; L734-L773 HydrophobicContact CD2-CG 4.42Å; L734-F792 HydrophobicContact CB-CE1 4.47Å; L734-F792 HydrophobicContact CB-CZ 4.04Å; L734-F792 HydrophobicContact CD2-CE1 4.36Å; L734-F792 HydrophobicContact CD2-CZ 3.94Å; L734-F792 HydrophobicContact CG-CZ 4.5Å
735Y93.4Very high89.6Confident13 Ų1342.6 Ų42.65%0.05123%0.23CC..Hα-helixtrans-68.5-42.7179.6-176.9-103.1000111.7Q731 Q732 E733 L738 L739 L765 Q766 V769Q731-Y735 WeakPolarHBondContact O-CB 3.36Å; Q731-Y735 PolarHBondContact O-N 3.36Å; Q732-Y735 WeakPolarHBondContact O-CB 3.27Å; Q732-Y735 PolarHBondContact O-N 3.35Å; Q732-Y735 VanDerWaalsContact O-N 3.08Å; E733-Y735 VanDerWaalsContact C-N 3.32Å; E733-Y735 PolarHBondContact O-N 3.18Å; Y735-L738 WeakPolarHBondContact O-CB 3.28Å; Y735-L738 PolarHBondContact O-N 3.48Å; Y735-L739 HydrophobicContact CD1-CD1 4.02Å; Y735-L739 HydrophobicContact CD1-CG 4.48Å; Y735-L739 HydrophobicContact CE1-CD1 3.36Å; Y735-L739 HydrophobicContact CE1-CG 4.08Å; Y735-L739 HydrophobicContact CE2-CD1 4.5Å; Y735-L739 HydrophobicContact CE2-CG 4.47Å; Y735-L739 WeakPolarHBondContact O-CG 3.45Å; Y735-L739 PolarHBondContact O-N 3.47Å; Y735-L765 HydrophobicContact CE2-CD2 4.15Å; Y735-L765 HydrophobicContact CE2-CG 4.12Å; Y735-Q766 HydrophobicContact CD1-CG 4.1Å; Y735-Q766 HydrophobicContact CD2-CG 3.67Å; Y735-Q766 HydrophobicContact CE1-CG 3.76Å; Y735-Q766 HydrophobicContact CE2-CB 4.3Å; Y735-Q766 HydrophobicContact CE2-CG 3.3Å; Y735-Q766 HydrophobicContact CG-CG 4.04Å; Y735-V769 HydrophobicContact CD2-CG2 4.48Å
736D92.7Very high90.1Very high74 Ų7443.2 Ų43.240%0.39623%0.23SC..Hα-helixtrans-66-40.9178.7-66.6-24.2000111.3Q732 E733 L739 T740Q732-D736 VanDerWaalsContact NE2-CG 3.31Å; Q732-D736 PolarHBondContact NE2-OD1 3.23Å; Q732-D736 PolarHBondContact NE2-OD2 3.4Å; Q732-D736 VanDerWaalsContact NE2-OD2 3.11Å; Q732-D736 VanDerWaalsContact O-CG 3.28Å; Q732-D736 PolarHBondContact O-N 3.41Å; E733-D736 PolarHBondContact O-N 3.03Å; D736-L739 PolarHBondContact O-N 3.32Å; D736-T740 WeakPolarHBondContact O-CB 3.41Å; D736-T740 PolarHBondContact O-N 3.43Å; D736-T740 PolarHBondContact O-OG1 3.31Å
737E92.1Very high90.6Very high31 Ų3139.5 Ų39.515%0.14521%0.212CC..Hα-helixtrans-68.6-37.3175.8-163.662.8-154.500111.8I712 Y715 L716 E733 T740 L741I712-E737 HydrophobicContact CG2-CB 4.1Å; I712-E737 HydrophobicContact CG2-CG 4.1Å; Y715-E737 HydrophobicContact CD1-CG 4.3Å; Y715-E737 HydrophobicContact CE1-CG 4.41Å; Y715-E737 VanDerWaalsContact CE1-OE1 3.31Å; Y715-E737 WeakPolarHBondContact CE1-OE1 3.43Å; L716-E737 HydrophobicContact CD2-CB 4.26Å; L716-E737 HydrophobicContact CD2-CG 3.91Å; L716-E737 HydrophobicContact CG-CG 4.5Å; E733-E737 WeakPolarHBondContact O-CB 3.31Å; E733-E737 PolarHBondContact O-N 3.15Å; E737-T740 PolarHBondContact O-N 3.16Å; E737-L741 HydrophobicContact CG-CD1 4.13Å; E737-L741 HydrophobicContact CG-CG 4.42Å; E737-L741 WeakPolarHBondContact O-CG 3.39Å; E737-L741 PolarHBondContact O-N 3.24Å
738L93.1Very high90.8Very high2 Ų239.6 Ų39.61%0.0121%0.211CC..Hα-helixtrans-59.6-46.8173.7178.672.2000111.1M708 I712 L734 Y735 T740 L741 A742 L747 V769M708-L738 HydrophobicContact CB-CD1 4.24Å; I712-L738 HydrophobicContact CD1-CD1 4.35Å; I712-L738 HydrophobicContact CG1-CB 4.29Å; I712-L738 HydrophobicContact CG1-CD1 3.66Å; L734-L738 VanDerWaalsContact O-CB 3.27Å; L734-L738 WeakPolarHBondContact O-CB 3.22Å; L734-L738 PolarHBondContact O-N 3.25Å; Y735-L738 WeakPolarHBondContact O-CB 3.28Å; Y735-L738 PolarHBondContact O-N 3.48Å; L738-T740 VanDerWaalsContact C-N 3.29Å; L738-T740 PolarHBondContact O-N 3.44Å; L738-L741 PolarHBondContact O-N 2.71Å; L738-A742 HydrophobicContact CD1-CB 4.42Å; L738-A742 VanDerWaalsContact O-CB 3.24Å; L738-A742 WeakPolarHBondContact O-CB 3.43Å; L738-A742 PolarHBondContact O-N 2.92Å; L738-L747 HydrophobicContact CD1-CD1 4.27Å; L738-L747 HydrophobicContact CD1-CD2 4.43Å; L738-L747 HydrophobicContact CD2-CD1 4.21Å; L738-L747 HydrophobicContact CG-CD1 3.89Å; L738-V769 HydrophobicContact CD2-CG2 3.63Å
739L92.2Very high90.7Very high49 Ų4943.1 Ų43.126%0.25723%0.225SC..Hα-helixtrans-68.6-28177.2-69.4-175000113.1Y735 D736 E744 L747 L765Y735-L739 HydrophobicContact CD1-CD1 4.02Å; Y735-L739 HydrophobicContact CD1-CG 4.48Å; Y735-L739 HydrophobicContact CE1-CD1 3.36Å; Y735-L739 HydrophobicContact CE1-CG 4.08Å; Y735-L739 HydrophobicContact CE2-CD1 4.5Å; Y735-L739 HydrophobicContact CE2-CG 4.47Å; Y735-L739 WeakPolarHBondContact O-CG 3.45Å; Y735-L739 PolarHBondContact O-N 3.47Å; D736-L739 PolarHBondContact O-N 3.32Å; L739-E744 HydrophobicContact CD2-CB 4.38Å; L739-E744 HydrophobicContact CD2-CG 4.02Å; L739-L747 HydrophobicContact CD2-CD1 4.39Å; L739-L765 HydrophobicContact CD2-CD2 4.29Å
740T92.4Very high90.3Very high95 Ų9545.1 Ų45.158%0.58324%0.236SC*.Hα-helixtrans-73.6-37.1178.2-61.40000112.1D736 E737 L738D736-T740 WeakPolarHBondContact O-CB 3.41Å; D736-T740 PolarHBondContact O-N 3.43Å; D736-T740 PolarHBondContact O-OG1 3.31Å; E737-T740 PolarHBondContact O-N 3.16Å; L738-T740 VanDerWaalsContact C-N 3.29Å; L738-T740 PolarHBondContact O-N 3.44Å
741L90.7Very high89.8Confident4 Ų444.5 Ų44.52%0.02123%0.232CC..Hα-helixtrans-98.4-28.2-173.9-62.7-174000114.4R498 V501 Q502 I712 Y715 E737 L738R498-L741 HydrophobicContact CG-CD1 4.45Å; R498-L741 HydrophobicContact CG-CD2 3.88Å; V501-L741 HydrophobicContact CG1-CB 3.83Å; Q502-L741 WeakPolarHBondContact CG-O 3.5Å; I712-L741 HydrophobicContact CD1-CB 3.89Å; I712-L741 HydrophobicContact CD1-CD1 3.78Å; I712-L741 HydrophobicContact CD1-CG 4.33Å; Y715-L741 HydrophobicContact CD1-CD1 3.68Å; Y715-L741 HydrophobicContact CE1-CD1 3.76Å; Y715-L741 HydrophobicContact CG-CD1 4.09Å; E737-L741 HydrophobicContact CG-CD1 4.13Å; E737-L741 HydrophobicContact CG-CG 4.42Å; E737-L741 WeakPolarHBondContact O-CG 3.39Å; E737-L741 PolarHBondContact O-N 3.24Å; L738-L741 PolarHBondContact O-N 2.71Å
742A90.1Very high89.3Confident10 Ų1045.4 Ų45.48%0.08324%0.238CC..SBendtrans-102.8158.8-178.400000112.5V501 M708 L738 E744 L747V501-A742 HydrophobicContact CG1-CB 4.39Å; M708-A742 HydrophobicContact CE-CB 3.45Å; M708-A742 VanDerWaalsContact CE-CB 3.45Å; L738-A742 HydrophobicContact CD1-CB 4.42Å; L738-A742 VanDerWaalsContact O-CB 3.24Å; L738-A742 WeakPolarHBondContact O-CB 3.43Å; L738-A742 PolarHBondContact O-N 2.92Å; A742-E744 PolarHBondContact O-N 3.4Å; A742-L747 HydrophobicContact CB-CD1 3.64Å; A742-L747 HydrophobicContact CB-CG 4.12Å
743D88.1Confident88.7Confident72 Ų7247.7 Ų47.739%0.38525%0.254SS..  trans-72.3107.9173.7-178-36.9000110.1A745 K746 L747D743-A745 PolarHBondContact O-N 3.02Å; D743-A745 WeakPolarHBondContact OD1-CA 3.12Å; D743-A745 WeakPolarHBondContact OD1-CB 3.32Å; D743-A745 PolarHBondContact OD1-N 3.23Å; D743-K746 HydrophobicContact CB-CB 4.04Å; D743-K746 HydrophobicContact CB-CD 4.04Å; D743-K746 HydrophobicContact CB-CG 4Å; D743-K746 PolarHBondContact O-N 3.21Å; D743-K746 VanDerWaalsContact O-N 3.09Å; D743-K746 PolarHBondContact OD1-N 3.11Å; D743-L747 PolarHBondContact O-N 3.4Å
744E88.5Confident88.1Confident61 Ų6155.3 Ų55.329%0.28528%0.279SS..Hα-helixtrans-53.7-40.6-179.7-176.1-177.3-177.100111.9L739 A742 K746 L747 L748 R762L739-E744 HydrophobicContact CD2-CB 4.38Å; L739-E744 HydrophobicContact CD2-CG 4.02Å; A742-E744 PolarHBondContact O-N 3.4Å; E744-K746 VanDerWaalsContact C-N 3.35Å; E744-K746 PolarHBondContact O-N 3.33Å; E744-L747 PolarHBondContact O-N 3.43Å; E744-L748 HydrophobicContact CG-CD1 3.99Å; E744-L748 HydrophobicContact CG-CG 4.37Å; E744-L748 WeakPolarHBondContact O-CB 3.09Å; E744-L748 VanDerWaalsContact O-CG 3.27Å; E744-L748 WeakPolarHBondContact O-CG 3.44Å; E744-L748 PolarHBondContact O-N 3.05Å; E744-R762 IonicContact OE1-CZ 3.34Å; E744-R762 IonicContact OE1-NE 2.66Å; E744-R762 PolarHBondContact OE1-NE 3.42Å; E744-R762 IonicContact OE1-NH2 3.19Å; E744-R762 PolarHBondContact OE1-NH2 3.37Å; E744-R762 IonicContact OE2-NH2 3.2Å; E744-R762 PolarHBondContact OE2-NH2 3.33Å
745A86.6Confident87.3Confident57 Ų5756.3 Ų56.347%0.47129%0.287SS..Hα-helixtrans-69.3-34-178.700000112D743 K749D743-A745 PolarHBondContact O-N 3.02Å; D743-A745 WeakPolarHBondContact OD1-CA 3.12Å; D743-A745 WeakPolarHBondContact OD1-CB 3.32Å; D743-A745 PolarHBondContact OD1-N 3.23Å; A745-K749 WeakPolarHBondContact O-CG 3.26Å; A745-K749 PolarHBondContact O-N 2.93Å
746K87.9Confident86.5Confident66 Ų6661.7 Ų61.729%0.28732%0.321SS..Hα-helixtrans-71.7-40.9172.3-66.8-174.8-173.6-178.20111.6F505 D506 D743 E744 L748 K749 L750F505-K746 HydrophobicContact CB-CD 3.55Å; F505-K746 HydrophobicContact CD1-CB 4.33Å; F505-K746 HydrophobicContact CD1-CD 4.44Å; F505-K746 HydrophobicContact CD2-CB 3.86Å; F505-K746 HydrophobicContact CD2-CD 3.57Å; F505-K746 HydrophobicContact CD2-CG 4.38Å; F505-K746 HydrophobicContact CE1-CB 4.29Å; F505-K746 HydrophobicContact CE2-CB 3.81Å; F505-K746 HydrophobicContact CE2-CD 4.36Å; F505-K746 HydrophobicContact CG-CB 4.12Å; F505-K746 HydrophobicContact CG-CD 3.61Å; F505-K746 HydrophobicContact CG-CG 4.48Å; F505-K746 HydrophobicContact CZ-CB 4.03Å; D506-K746 IonicContact OD1-NZ 3.75Å; D506-K746 PolarHBondContact OD1-NZ 2.95Å; D743-K746 HydrophobicContact CB-CB 4.04Å; D743-K746 HydrophobicContact CB-CD 4.04Å; D743-K746 HydrophobicContact CB-CG 4Å; D743-K746 PolarHBondContact O-N 3.21Å; D743-K746 VanDerWaalsContact O-N 3.09Å; D743-K746 PolarHBondContact OD1-N 3.11Å; E744-K746 VanDerWaalsContact C-N 3.35Å; E744-K746 PolarHBondContact O-N 3.33Å; K746-L748 PolarHBondContact O-N 3.46Å; K746-K749 WeakPolarHBondContact O-CB 3.4Å; K746-K749 PolarHBondContact O-N 2.85Å; K746-L750 PolarHBondContact O-N 3.04Å
747L89Confident85.8Confident0 Ų059.7 Ų59.70%032%0.318CS..Hα-helixtrans-60.7-44.9176.3-78.4173.3000112.6F505 L705 L738 L739 A742 D743 E744 K749 L750 L765F505-L747 HydrophobicContact CZ-CD2 4.07Å; F505-L747 HydrophobicContact CZ-CG 4.36Å; L705-L747 HydrophobicContact CD1-CD2 4.14Å; L738-L747 HydrophobicContact CD1-CD1 4.27Å; L738-L747 HydrophobicContact CD1-CD2 4.43Å; L738-L747 HydrophobicContact CD2-CD1 4.21Å; L738-L747 HydrophobicContact CG-CD1 3.89Å; L739-L747 HydrophobicContact CD2-CD1 4.39Å; A742-L747 HydrophobicContact CB-CD1 3.64Å; A742-L747 HydrophobicContact CB-CG 4.12Å; D743-L747 PolarHBondContact O-N 3.4Å; E744-L747 PolarHBondContact O-N 3.43Å; L747-K749 PolarHBondContact O-N 2.7Å; L747-L750 HydrophobicContact CD2-CD1 4.28Å; L747-L750 VanDerWaalsContact O-CB 3.31Å; L747-L750 WeakPolarHBondContact O-CB 3.45Å; L747-L750 PolarHBondContact O-N 3.4Å; L747-L765 HydrophobicContact CB-CD1 4.33Å; L747-L765 HydrophobicContact CB-CD2 4.12Å
748L89Confident85.4Confident8 Ų860.1 Ų60.14%0.04233%0.325CS..Hα-helixtrans-62.6-32.3178.4-72.6169000112.4E744 K746 L750 V751 N752 D761 R762 L765E744-L748 HydrophobicContact CG-CD1 3.99Å; E744-L748 HydrophobicContact CG-CG 4.37Å; E744-L748 WeakPolarHBondContact O-CB 3.09Å; E744-L748 VanDerWaalsContact O-CG 3.27Å; E744-L748 WeakPolarHBondContact O-CG 3.44Å; E744-L748 PolarHBondContact O-N 3.05Å; K746-L748 PolarHBondContact O-N 3.46Å; L748-L750 VanDerWaalsContact C-N 3.3Å; L748-L750 PolarHBondContact O-N 3.39Å; L748-V751 WeakPolarHBondContact O-CB 3.46Å; L748-V751 PolarHBondContact O-N 3.17Å; L748-V751 VanDerWaalsContact O-N 3.11Å; L748-N752 PolarHBondContact O-N 3.39Å; L748-D761 HydrophobicContact CD2-CB 3.9Å; L748-R762 HydrophobicContact CD2-CG 4.29Å; L748-L765 HydrophobicContact CD2-CB 4.33Å; L748-L765 HydrophobicContact CD2-CD2 4.19Å
749K86.9Confident85Confident121 Ų12165.6 Ų65.653%0.52635%0.354SS..Hα-helixtrans-65.6-29.2173.9-73.9173.5-178.51760113.1A745 K746 L747 V751 N752 N753A745-K749 WeakPolarHBondContact O-CG 3.26Å; A745-K749 PolarHBondContact O-N 2.93Å; K746-K749 WeakPolarHBondContact O-CB 3.4Å; K746-K749 PolarHBondContact O-N 2.85Å; L747-K749 PolarHBondContact O-N 2.7Å; K749-V751 PolarHBondContact O-N 3.04Å; K749-N752 CarbonylContact O-C 3.37Å; K749-N753 PolarHBondContact O-N 2.89Å; K749-N753 PolarHBondContact O-OD1 3.3Å
750L83.8Confident84.7Confident45 Ų4567.1 Ų67.124%0.23637%0.365CS..Hα-helixtrans-66.9-25.6172.5-59.9-180000112.7F505 E704 L705 K746 L747 L748 K768F505-L750 HydrophobicContact CE1-CD1 3.89Å; F505-L750 HydrophobicContact CE1-CD2 4.23Å; F505-L750 HydrophobicContact CE1-CG 4.18Å; F505-L750 HydrophobicContact CZ-CD1 4.09Å; E704-L750 HydrophobicContact CB-CD1 4.19Å; E704-L750 HydrophobicContact CB-CD2 4.09Å; L705-L750 HydrophobicContact CB-CD1 4.31Å; L705-L750 HydrophobicContact CD1-CD1 4.4Å; K746-L750 PolarHBondContact O-N 3.04Å; L747-L750 HydrophobicContact CD2-CD1 4.28Å; L747-L750 VanDerWaalsContact O-CB 3.31Å; L747-L750 WeakPolarHBondContact O-CB 3.45Å; L747-L750 PolarHBondContact O-N 3.4Å; L748-L750 VanDerWaalsContact C-N 3.3Å; L748-L750 PolarHBondContact O-N 3.39Å; L750-K768 PolarHBondContact O-NZ 3.49Å
751V81.8Confident84.5Confident23 Ų2363 Ų6314%0.13934%0.34CS..Hα-helixtrans-81.7-50.6176.3-175.10000109.8L748 K749 K764 L765 K768L748-V751 WeakPolarHBondContact O-CB 3.46Å; L748-V751 PolarHBondContact O-N 3.17Å; L748-V751 VanDerWaalsContact O-N 3.11Å; K749-V751 PolarHBondContact O-N 3.04Å; V751-K764 HydrophobicContact CG1-CB 3.56Å; V751-L765 HydrophobicContact CG2-CB 3.81Å; V751-L765 HydrophobicContact CG2-CD1 3.54Å; V751-L765 HydrophobicContact CG2-CG 4.26Å; V751-K768 HydrophobicContact CB-CD 4.49Å; V751-K768 HydrophobicContact CG1-CD 4.3Å; V751-K768 HydrophobicContact CG2-CD 4.24Å
752N81.2Confident84.3Confident62 Ų6267.6 Ų67.633%0.33236%0.356SS..  trans-147.6116.9-177.5178.80.7000109.5L748 K749 R754 S755L748-N752 PolarHBondContact O-N 3.39Å; K749-N752 CarbonylContact O-C 3.37Å; N752-R754 PolarHBondContact O-N 2.93Å; N752-R754 PolarHBondContact OD1-N 3.46Å; N752-S755 VanDerWaalsContact O-CB 3.28Å; N752-S755 WeakPolarHBondContact O-CB 3.41Å; N752-S755 PolarHBondContact O-N 2.78Å
753N78.9Confident84.3Confident146 Ų14672.9 Ų72.978%0.78138%0.379SS*.THydrogen-bonded Turntrans-55.1-22.1178.9-74.1-12.3000113.8K749K749-N753 PolarHBondContact O-N 2.89Å; K749-N753 PolarHBondContact O-OD1 3.3Å
754R77.5Confident84.4Confident220 Ų22074.2 Ų74.283%0.8338%0.382SS*.THydrogen-bonded Turntrans-105.815.8177.9-60.7-177.2-179.7174.61.7113.5N752 T756N752-R754 PolarHBondContact O-N 2.93Å; N752-R754 PolarHBondContact OD1-N 3.46Å; R754-T756 PolarHBondContact O-N 2.81Å
755S78.5Confident84.6Confident24 Ų2471.3 Ų71.317%0.16837%0.368CS..  trans-56.3136.9179.8178.30000111N752 G757 D761N752-S755 VanDerWaalsContact O-CB 3.28Å; N752-S755 WeakPolarHBondContact O-CB 3.41Å; N752-S755 PolarHBondContact O-N 2.78Å; S755-G757 PolarHBondContact OG-N 3.02Å; S755-D761 WeakPolarHBondContact CA-OD2 3.35Å; S755-D761 VanDerWaalsContact OG-CB 3.22Å; S755-D761 WeakPolarHBondContact OG-CB 3.13Å; S755-D761 PolarHBondContact OG-OD2 2.99Å
756T75Confident84.8Confident125 Ų12572.4 Ų72.477%0.76736%0.364SS*.  trans-104.62.4178.852.90000112.3R754 D761R754-T756 PolarHBondContact O-N 2.81Å; T756-D761 PolarHBondContact N-OD2 3.4Å; T756-D761 VanDerWaalsContact N-OD2 3.16Å
757G78.9Confident85Confident32 Ų3275.6 Ų75.633%0.3338%0.38SS..SBendtrans79.623.4-169.800000113.6S755S755-G757 PolarHBondContact OG-N 3.02Å
758S83.3Confident85.1Confident41 Ų4180 Ų8029%0.28740%0.399SS..  trans-67.4155.5176.669.50000111.7V760 D761 R762S758-V760 PolarHBondContact O-N 2.89Å; S758-D761 PolarHBondContact N-OD2 3.19Å; S758-D761 WeakPolarHBondContact O-CB 3.49Å; S758-D761 PolarHBondContact O-N 3.2Å; S758-D761 PolarHBondContact OG-N 3.38Å; S758-D761 PolarHBondContact OG-OD2 2.89Å; S758-R762 PolarHBondContact O-N 3.4Å; S758-R762 VanDerWaalsContact O-N 3.1Å
759D85.3Confident85.3Confident116 Ų11679.9 Ų79.962%0.6240%0.399SS*.Hα-helixtrans-57.5-31.8175.5-68.2-34.6000112.3R762 Q763D759-R762 PolarHBondContact O-N 2.97Å; D759-Q763 WeakPolarHBondContact O-CG 3.39Å; D759-Q763 PolarHBondContact O-N 2.77Å
760V86.3Confident85.6Confident81 Ų8180 Ų8049%0.49140%0.395SS..Hα-helixtrans-66.5-40.3174.71800000111.3S758 R762 Q763 K764S758-V760 PolarHBondContact O-N 2.89Å; V760-R762 VanDerWaalsContact C-N 3.3Å; V760-R762 PolarHBondContact O-N 3.34Å; V760-Q763 PolarHBondContact O-N 3.04Å; V760-K764 WeakPolarHBondContact O-CG 3.43Å; V760-K764 PolarHBondContact O-N 2.84Å
761D86.6Confident86Confident10 Ų1081.2 Ų81.25%0.05341%0.408CS..Hα-helixtrans-65.7-37.1176.5-64.1-43.4000111L748 S755 T756 S758 K764 L765L748-D761 HydrophobicContact CD2-CB 3.9Å; S755-D761 WeakPolarHBondContact CA-OD2 3.35Å; S755-D761 VanDerWaalsContact OG-CB 3.22Å; S755-D761 WeakPolarHBondContact OG-CB 3.13Å; S755-D761 PolarHBondContact OG-OD2 2.99Å; T756-D761 PolarHBondContact N-OD2 3.4Å; T756-D761 VanDerWaalsContact N-OD2 3.16Å; S758-D761 PolarHBondContact N-OD2 3.19Å; S758-D761 WeakPolarHBondContact O-CB 3.49Å; S758-D761 PolarHBondContact O-N 3.2Å; S758-D761 PolarHBondContact OG-N 3.38Å; S758-D761 PolarHBondContact OG-OD2 2.89Å; D761-K764 PolarHBondContact O-N 3.48Å; D761-L765 PolarHBondContact O-N 2.77Å
762R87.8Confident86.6Confident99 Ų9980.4 Ų80.437%0.37440%0.403SS..Hα-helixtrans-65.1-42.5174.3-70.9176.9165175.3-6112.4E744 L748 S758 D759 V760 L765 Q766E744-R762 IonicContact OE1-CZ 3.34Å; E744-R762 IonicContact OE1-NE 2.66Å; E744-R762 PolarHBondContact OE1-NE 3.42Å; E744-R762 IonicContact OE1-NH2 3.19Å; E744-R762 PolarHBondContact OE1-NH2 3.37Å; E744-R762 IonicContact OE2-NH2 3.2Å; E744-R762 PolarHBondContact OE2-NH2 3.33Å; L748-R762 HydrophobicContact CD2-CG 4.29Å; S758-R762 PolarHBondContact O-N 3.4Å; S758-R762 VanDerWaalsContact O-N 3.1Å; D759-R762 PolarHBondContact O-N 2.97Å; V760-R762 VanDerWaalsContact C-N 3.3Å; V760-R762 PolarHBondContact O-N 3.34Å; R762-L765 WeakPolarHBondContact O-CB 3.33Å; R762-L765 PolarHBondContact O-N 3.24Å; R762-Q766 PolarHBondContact O-N 3.17Å
763Q89Confident87.3Confident121 Ų12177.5 Ų77.557%0.56539%0.388SS*.Hα-helixtrans-61.8-44.3174.2-75.4-179.1-9.800111.8D759 V760 L765 Q766 E767D759-Q763 WeakPolarHBondContact O-CG 3.39Å; D759-Q763 PolarHBondContact O-N 2.77Å; V760-Q763 PolarHBondContact O-N 3.04Å; Q763-L765 VanDerWaalsContact C-N 3.3Å; Q763-L765 PolarHBondContact O-N 2.88Å; Q763-Q766 WeakPolarHBondContact O-CB 3.48Å; Q763-Q766 PolarHBondContact O-N 3.21Å; Q763-Q766 VanDerWaalsContact O-N 3.16Å; Q763-E767 PolarHBondContact O-N 3.37Å
764K90.6Very high87.9Confident101 Ų10172.5 Ų72.544%0.43936%0.361SS..Hα-helixtrans-63.5-35.2175.5-72.3-177.3176.4-1740112.6V751 V760 D761 E767 K768V751-K764 HydrophobicContact CG1-CB 3.56Å; V760-K764 WeakPolarHBondContact O-CG 3.43Å; V760-K764 PolarHBondContact O-N 2.84Å; D761-K764 PolarHBondContact O-N 3.48Å; K764-E767 PolarHBondContact O-N 2.94Å; K764-K768 PolarHBondContact O-N 2.88Å
765L91.9Very high88.6Confident0 Ų067.4 Ų67.40%034%0.342CS..Hα-helixtrans-61.2-46.7172.2-178.761.8000110.9L705 Y735 L739 L747 L748 V751 D761 R762 Q763 E767 K768 V769L705-L765 HydrophobicContact CD1-CD1 4.28Å; Y735-L765 HydrophobicContact CE2-CD2 4.15Å; Y735-L765 HydrophobicContact CE2-CG 4.12Å; L739-L765 HydrophobicContact CD2-CD2 4.29Å; L747-L765 HydrophobicContact CB-CD1 4.33Å; L747-L765 HydrophobicContact CB-CD2 4.12Å; L748-L765 HydrophobicContact CD2-CB 4.33Å; L748-L765 HydrophobicContact CD2-CD2 4.19Å; V751-L765 HydrophobicContact CG2-CB 3.81Å; V751-L765 HydrophobicContact CG2-CD1 3.54Å; V751-L765 HydrophobicContact CG2-CG 4.26Å; D761-L765 PolarHBondContact O-N 2.77Å; R762-L765 WeakPolarHBondContact O-CB 3.33Å; R762-L765 PolarHBondContact O-N 3.24Å; Q763-L765 VanDerWaalsContact C-N 3.3Å; Q763-L765 PolarHBondContact O-N 2.88Å; L765-E767 VanDerWaalsContact C-N 3.35Å; L765-E767 PolarHBondContact O-N 3.09Å; L765-K768 PolarHBondContact O-N 3.34Å; L765-V769 HydrophobicContact CD1-CG2 4.29Å; L765-V769 HydrophobicContact CG-CG2 4.43Å; L765-V769 VanDerWaalsContact O-CG2 3.3Å; L765-V769 WeakPolarHBondContact O-CG2 3.43Å; L765-V769 PolarHBondContact O-N 2.92Å
766Q91.4Very high89.4Confident80 Ų8066.2 Ų66.237%0.37433%0.334SS..Hα-helixtrans-57.8-44.5175.6-73.3-177.4-9.400112.3Y735 R762 Q763 K768 V769 R770Y735-Q766 HydrophobicContact CD1-CG 4.1Å; Y735-Q766 HydrophobicContact CD2-CG 3.67Å; Y735-Q766 HydrophobicContact CE1-CG 3.76Å; Y735-Q766 HydrophobicContact CE2-CB 4.3Å; Y735-Q766 HydrophobicContact CE2-CG 3.3Å; Y735-Q766 HydrophobicContact CG-CG 4.04Å; R762-Q766 PolarHBondContact O-N 3.17Å; Q763-Q766 WeakPolarHBondContact O-CB 3.48Å; Q763-Q766 PolarHBondContact O-N 3.21Å; Q763-Q766 VanDerWaalsContact O-N 3.16Å; Q766-K768 PolarHBondContact O-N 3.48Å; Q766-V769 PolarHBondContact O-N 3.21Å; Q766-R770 WeakPolarHBondContact O-CB 3.48Å; Q766-R770 PolarHBondContact O-N 3.13Å
767E91.6Very high90.3Very high132 Ų13264.5 Ų64.562%0.61731%0.313SS*.Hα-helixtrans-62.6-41.9176.8-70.8-179.3165.600112.7Q763 K764 L765 R770 S771Q763-E767 PolarHBondContact O-N 3.37Å; K764-E767 PolarHBondContact O-N 2.94Å; L765-E767 VanDerWaalsContact C-N 3.35Å; L765-E767 PolarHBondContact O-N 3.09Å; E767-R770 PolarHBondContact O-N 3.16Å; E767-S771 PolarHBondContact O-N 3.4Å; E767-S771 PolarHBondContact O-OG 3.26Å
768K92.5Very high90.9Very high92 Ų9269.5 Ų69.540%0.432%0.322SS..Hα-helixtrans-66.1-41.9175-74.6-156.5178.6-170.20111.7L705 L750 V751 K764 L765 Q766 R770 S771 S772L705-K768 HydrophobicContact CD2-CB 3.48Å; L705-K768 VanDerWaalsContact CD2-CB 3.48Å; L705-K768 HydrophobicContact CD2-CD 4.41Å; L750-K768 PolarHBondContact O-NZ 3.49Å; V751-K768 HydrophobicContact CB-CD 4.49Å; V751-K768 HydrophobicContact CG1-CD 4.3Å; V751-K768 HydrophobicContact CG2-CD 4.24Å; K764-K768 PolarHBondContact O-N 2.88Å; L765-K768 PolarHBondContact O-N 3.34Å; Q766-K768 PolarHBondContact O-N 3.48Å; K768-R770 VanDerWaalsContact C-N 3.32Å; K768-R770 PolarHBondContact O-N 3.29Å; K768-S771 WeakPolarHBondContact O-CB 3.49Å; K768-S771 PolarHBondContact O-N 3.39Å; K768-S771 VanDerWaalsContact O-N 3.1Å; K768-S772 PolarHBondContact O-N 3.33Å; K768-S772 PolarHBondContact O-OG 3Å
769V93.6Very high91.5Very high7 Ų767.8 Ų67.84%0.04231%0.31CS..Hα-helixtrans-60.1-42.5174.7169.80000110.9L705 V709 Y735 L738 L765 Q766 S771 S772 L773L705-V769 HydrophobicContact CD1-CG2 4.19Å; L705-V769 HydrophobicContact CD2-CG2 4.5Å; V709-V769 HydrophobicContact CG2-CG1 4.1Å; V709-V769 HydrophobicContact CG2-CG2 4.35Å; Y735-V769 HydrophobicContact CD2-CG2 4.48Å; L738-V769 HydrophobicContact CD2-CG2 3.63Å; L765-V769 HydrophobicContact CD1-CG2 4.29Å; L765-V769 HydrophobicContact CG-CG2 4.43Å; L765-V769 VanDerWaalsContact O-CG2 3.3Å; L765-V769 WeakPolarHBondContact O-CG2 3.43Å; L765-V769 PolarHBondContact O-N 2.92Å; Q766-V769 PolarHBondContact O-N 3.21Å; V769-S771 VanDerWaalsContact C-N 3.31Å; V769-S771 PolarHBondContact O-N 2.87Å; V769-S772 WeakPolarHBondContact O-CB 3.21Å; V769-S772 PolarHBondContact O-N 2.96Å; V769-L773 WeakPolarHBondContact O-CB 3.33Å; V769-L773 PolarHBondContact O-N 3.45Å
770R92.7Very high91.9Very high122 Ų12262.3 Ų62.346%0.4628%0.281SS..Hα-helixtrans-62.5-37.5174-175.8177.7-178.6177.55112.5Q766 E767 K768 N774 S789Q766-R770 WeakPolarHBondContact O-CB 3.48Å; Q766-R770 PolarHBondContact O-N 3.13Å; E767-R770 PolarHBondContact O-N 3.16Å; K768-R770 VanDerWaalsContact C-N 3.32Å; K768-R770 PolarHBondContact O-N 3.29Å; R770-N774 PolarHBondContact O-N 3.36Å; R770-N774 PolarHBondContact O-ND2 3.27Å; R770-S789 PolarHBondContact NH2-OG 3.31Å
771S92.7Very high92.3Very high71 Ų7158.5 Ų58.550%0.49726%0.258SS..Hα-helixtrans-67.9-43.4175.9-59.20000111.5E767 K768 V769 N774 R775E767-S771 PolarHBondContact O-N 3.4Å; E767-S771 PolarHBondContact O-OG 3.26Å; K768-S771 WeakPolarHBondContact O-CB 3.49Å; K768-S771 PolarHBondContact O-N 3.39Å; K768-S771 VanDerWaalsContact O-N 3.1Å; V769-S771 VanDerWaalsContact C-N 3.31Å; V769-S771 PolarHBondContact O-N 2.87Å; S771-N774 WeakPolarHBondContact O-CB 3.42Å; S771-N774 PolarHBondContact O-N 2.92Å; S771-R775 PolarHBondContact O-N 2.86Å
772S94.4Very high92.7Very high6 Ų658 Ų584%0.04226%0.255CS..Hα-helixtrans-58.4-48.1172-71.50000111.5D706 K768 V769 N774 R775 L776D706-S772 VanDerWaalsContact OD1-CA 3.27Å; D706-S772 WeakPolarHBondContact OD1-CA 3.35Å; D706-S772 WeakPolarHBondContact OD1-CB 3.36Å; D706-S772 PolarHBondContact OD1-OG 2.92Å; K768-S772 PolarHBondContact O-N 3.33Å; K768-S772 PolarHBondContact O-OG 3Å; V769-S772 WeakPolarHBondContact O-CB 3.21Å; V769-S772 PolarHBondContact O-N 2.96Å; S772-N774 VanDerWaalsContact C-N 3.3Å; S772-N774 PolarHBondContact O-N 3.43Å; S772-R775 WeakPolarHBondContact O-CA 3.31Å; S772-R775 WeakPolarHBondContact O-CB 3.33Å; S772-R775 PolarHBondContact O-N 2.95Å; S772-L776 VanDerWaalsContact O-CG 3.32Å; S772-L776 WeakPolarHBondContact O-CG 3.37Å; S772-L776 PolarHBondContact O-N 3.03Å
773L94.5Very high92.9Very high2 Ų258.3 Ų58.31%0.0126%0.256CS..Hα-helixtrans-58.6-40.4177-172.565.6000112.3L713 Q731 L734 V769 L776 R777 V782 F784 F792L713-L773 HydrophobicContact CD1-CD1 4.15Å; L713-L773 HydrophobicContact CD2-CD1 4.32Å; Q731-L773 HydrophobicContact CG-CD2 3.92Å; L734-L773 HydrophobicContact CD2-CD1 3.84Å; L734-L773 HydrophobicContact CD2-CD2 4.11Å; L734-L773 HydrophobicContact CD2-CG 4.42Å; V769-L773 WeakPolarHBondContact O-CB 3.33Å; V769-L773 PolarHBondContact O-N 3.45Å; L773-L776 PolarHBondContact O-N 3.31Å; L773-R777 WeakPolarHBondContact O-CB 3.5Å; L773-R777 PolarHBondContact O-N 3.44Å; L773-V782 HydrophobicContact CD1-CG1 4.05Å; L773-V782 HydrophobicContact CD1-CG2 3.92Å; L773-V782 HydrophobicContact CG-CG2 4.45Å; L773-F784 HydrophobicContact CD2-CE1 4.05Å; L773-F784 HydrophobicContact CD2-CZ 4.32Å; L773-F784 HydrophobicContact CG-CE1 4Å; L773-F784 HydrophobicContact CG-CZ 4.22Å; L773-F792 HydrophobicContact CD1-CE2 4.39Å; L773-F792 HydrophobicContact CD1-CZ 4.36Å; L773-F792 HydrophobicContact CD2-CD1 3.83Å; L773-F792 HydrophobicContact CD2-CE1 3.76Å; L773-F792 HydrophobicContact CD2-CG 4.49Å; L773-F792 HydrophobicContact CD2-CZ 4.37Å
774N92.2Very high93Very high41 Ų4154.2 Ų54.222%0.21924%0.236CC..Hα-helixtrans-64.4-37.1173.8-87.7-68.1000113.1R770 S771 S772 R777 R778 F784R770-N774 PolarHBondContact O-N 3.36Å; R770-N774 PolarHBondContact O-ND2 3.27Å; S771-N774 WeakPolarHBondContact O-CB 3.42Å; S771-N774 PolarHBondContact O-N 2.92Å; S772-N774 VanDerWaalsContact C-N 3.3Å; S772-N774 PolarHBondContact O-N 3.43Å; N774-R777 WeakPolarHBondContact O-CB 3.44Å; N774-R778 PolarHBondContact O-N 3.09Å; N774-F784 VanDerWaalsContact OD1-CE2 3.26Å; N774-F784 WeakPolarHBondContact OD1-CE2 3.23Å
775R92.5Very high92.8Very high112 Ų11252.5 Ų52.542%0.42323%0.231SC..Hα-helixtrans-66.4-47.3174.8-166.6-177.9-57.4-85.5-1.8110.5D706 S771 S772 R777 R778 L779D706-R775 IonicContact OD2-NE 2.84Å; S771-R775 PolarHBondContact O-N 2.86Å; S772-R775 WeakPolarHBondContact O-CA 3.31Å; S772-R775 WeakPolarHBondContact O-CB 3.33Å; S772-R775 PolarHBondContact O-N 2.95Å; R775-R777 VanDerWaalsContact C-N 3.27Å; R775-R777 PolarHBondContact O-N 3.23Å; R775-R778 WeakPolarHBondContact O-CB 3.27Å; R775-R778 PolarHBondContact O-N 3.13Å; R775-L779 PolarHBondContact O-N 3Å
776L95.1Very high92.1Very high0 Ų055.7 Ų55.70%026%0.264CS..Hα-helixtrans-62-32.3176.9-64.4-176.8000112.6L702 V709 L713 S772 L773 L779 G780 M781 F801L702-L776 HydrophobicContact CD1-CD2 4.42Å; V709-L776 HydrophobicContact CB-CD1 4.14Å; V709-L776 HydrophobicContact CG1-CD1 3.73Å; L713-L776 HydrophobicContact CD1-CD1 3.7Å; S772-L776 VanDerWaalsContact O-CG 3.32Å; S772-L776 WeakPolarHBondContact O-CG 3.37Å; S772-L776 PolarHBondContact O-N 3.03Å; L773-L776 PolarHBondContact O-N 3.31Å; L776-L779 HydrophobicContact CD2-CD1 4.23Å; L776-L779 CarbonylContact O-C 3.57Å; L776-L779 PolarHBondContact O-N 3.45Å; L776-G780 PolarHBondContact O-N 2.82Å; L776-M781 HydrophobicContact CB-CB 4.05Å; L776-M781 HydrophobicContact CB-CG 4.25Å; L776-M781 HydrophobicContact CD2-CG 4.36Å; L776-M781 VanDerWaalsContact O-CB 3.31Å; L776-M781 WeakPolarHBondContact O-CB 3.42Å; L776-M781 WeakPolarHBondContact O-CG 3.28Å; L776-M781 PolarHBondContact O-N 3.39Å; L776-F801 HydrophobicContact CD2-CE1 4.41Å; L776-F801 HydrophobicContact CD2-CE2 4.27Å; L776-F801 HydrophobicContact CD2-CZ 3.55Å
777R93.9Very high91.4Very high89 Ų8961.9 Ų61.934%0.33629%0.292SS..Hα-helixtrans-59.6-45169.8-172-162.871.5-176.53.9112.3R648 L773 N774 R775 L779 G780 V782 F784R648-R777 PolarHBondContact NH1-O 3.44Å; L773-R777 WeakPolarHBondContact O-CB 3.5Å; L773-R777 PolarHBondContact O-N 3.44Å; N774-R777 WeakPolarHBondContact O-CB 3.44Å; R775-R777 VanDerWaalsContact C-N 3.27Å; R775-R777 PolarHBondContact O-N 3.23Å; R777-L779 PolarHBondContact O-N 3.48Å; R777-G780 PolarHBondContact O-N 3.05Å; R777-V782 HydrophobicContact CB-CG2 3.67Å; R777-V782 HydrophobicContact CG-CG2 4.23Å; R777-V782 WeakPolarHBondContact CG-O 3.3Å; R777-F784 HydrophobicContact CB-CE1 4.5Å; R777-F784 HydrophobicContact CB-CZ 4.5Å; R777-F784 HydrophobicContact CG-CD1 4.43Å
778R92Very high90.6Very high137 Ų13760 Ų6052%0.51729%0.286SS..Hα-helixtrans-62.1-36.3178.1-64.6174.8-171179.11.1110.9R648 N774 R775 G780R648-R778 PolarHBondContact NH1-O 3.1Å; N774-R778 PolarHBondContact O-N 3.09Å; R775-R778 WeakPolarHBondContact O-CB 3.27Å; R775-R778 PolarHBondContact O-N 3.13Å; R778-G780 PolarHBondContact O-N 2.69Å
779L94.4Very high90Very high5 Ų556.6 Ų56.63%0.02627%0.274CS..THydrogen-bonded Turntrans-75.2-0.6176-61.9173.8000114.3Y513 G647 H649 L702 R775 L776 R777 M781Y513-L779 HydrophobicContact CD2-CD2 3.41Å; Y513-L779 VanDerWaalsContact CD2-CD2 3.41Å; Y513-L779 HydrophobicContact CE2-CD2 3.76Å; Y513-L779 HydrophobicContact CG-CD2 3.92Å; G647-L779 VanDerWaalsContact O-CD2 3.3Å; G647-L779 WeakPolarHBondContact O-CD2 3.37Å; H649-L779 WeakPolarHBondContact CB-O 3.42Å; H649-L779 PolarHBondContact N-O 3.38Å; H649-L779 PolarHBondContact ND1-O 3.06Å; L702-L779 HydrophobicContact CD2-CD1 3.7Å; R775-L779 PolarHBondContact O-N 3Å; L776-L779 HydrophobicContact CD2-CD1 4.23Å; L776-L779 CarbonylContact O-C 3.57Å; L776-L779 PolarHBondContact O-N 3.45Å; R777-L779 PolarHBondContact O-N 3.48Å; L779-M781 HydrophobicContact CB-CE 4.4Å; L779-M781 HydrophobicContact CB-CG 4.22Å
780G93.8Very high89.6Confident1 Ų158.1 Ų58.11%0.0129%0.285CS..THydrogen-bonded Turntrans79.421177.400000114.5L776 R777 R778 T795 S797L776-G780 PolarHBondContact O-N 2.82Å; R777-G780 PolarHBondContact O-N 3.05Å; R778-G780 PolarHBondContact O-N 2.69Å; G780-T795 PolarHBondContact O-OG1 3.39Å; G780-S797 WeakPolarHBondContact O-CB 3.28Å; G780-S797 PolarHBondContact O-OG 2.97Å
781M95.8Very high89.5Confident1 Ų157.6 Ų57.61%0.00529%0.287CS..SBendtrans-86.2-26.7178.3-55.9-60.3173.300113.2H649 L776 L779 T795 S797 V798 F801H649-M781 HydrophobicContact CB-CE 4.46Å; H649-M781 VanDerWaalsContact CE1-CE 3.43Å; H649-M781 WeakPolarHBondContact CE1-CE 3.45Å; H649-M781 WeakPolarHBondContact ND1-CE 3.2Å; L776-M781 HydrophobicContact CB-CB 4.05Å; L776-M781 HydrophobicContact CB-CG 4.25Å; L776-M781 HydrophobicContact CD2-CG 4.36Å; L776-M781 VanDerWaalsContact O-CB 3.31Å; L776-M781 WeakPolarHBondContact O-CB 3.42Å; L776-M781 WeakPolarHBondContact O-CG 3.28Å; L776-M781 PolarHBondContact O-N 3.39Å; L779-M781 HydrophobicContact CB-CE 4.4Å; L779-M781 HydrophobicContact CB-CG 4.22Å; M781-T795 VanDerWaalsContact C-OG1 3.25Å; M781-T795 WeakPolarHBondContact CA-OG1 3.34Å; M781-T795 PolarHBondContact O-N 3.02Å; M781-T795 PolarHBondContact O-OG1 2.92Å; M781-T795 VanDerWaalsContact O-OG1 3.07Å; M781-S797 WeakPolarHBondContact SD-CB 3.35Å; M781-S797 VanDerWaalsContact SD-O 3.38Å; M781-V798 HydrophobicContact CB-CG1 4.01Å; M781-V798 HydrophobicContact SD-CG1 4.43Å; M781-F801 HydrophobicContact CE-CE2 3.94Å; M781-F801 HydrophobicContact CG-CE2 4.05Å; M781-F801 HydrophobicContact SD-CE2 3.87Å
782V94.7Very high89.5Confident0 Ų054.2 Ų54.20%026%0.263CS..EExtended strand (participates in β ladder)trans-143.3153.7-179.5-62.40000111.5L713 L773 R777 F784 F792 R793L713-V782 HydrophobicContact CD1-CG1 3.77Å; L713-V782 HydrophobicContact CD2-CG1 3.88Å; L713-V782 HydrophobicContact CG-CG1 4.46Å; L773-V782 HydrophobicContact CD1-CG1 4.05Å; L773-V782 HydrophobicContact CD1-CG2 3.92Å; L773-V782 HydrophobicContact CG-CG2 4.45Å; R777-V782 HydrophobicContact CB-CG2 3.67Å; R777-V782 HydrophobicContact CG-CG2 4.23Å; R777-V782 WeakPolarHBondContact CG-O 3.3Å; V782-F784 HydrophobicContact CG2-CE1 4.17Å; V782-F792 HydrophobicContact CB-CD2 4.14Å; V782-F792 HydrophobicContact CG1-CD2 3.91Å; V782-F792 HydrophobicContact CG1-CE2 4.25Å; V782-R793 CarbonylContact C-O 3.53Å; V782-R793 WeakPolarHBondContact CA-O 3.33Å; V782-R793 WeakPolarHBondContact CB-O 3.25Å
783W91.8Very high89.4Confident104 Ų10459.7 Ų59.739%0.39428%0.283SS..EExtended strand (participates in β ladder)trans-119.5125.1174.3-79.5105.5000110.7E654 F792 R793 T795E654-W783 HydrophobicContact CG-CZ2 3.77Å; E654-W783 WeakPolarHBondContact OE1-CZ2 3.39Å; W783-F792 CarbonylContact O-C 3.5Å; W783-F792 WeakPolarHBondContact O-CA 3.47Å; W783-F792 VanDerWaalsContact O-CB 3.31Å; W783-F792 WeakPolarHBondContact O-CB 3.23Å; W783-R793 HydrophobicContact CB-CB 4.43Å; W783-R793 PolarHBondContact N-O 3.29Å; W783-R793 PolarHBondContact O-N 3.39Å; W783-T795 VanDerWaalsContact CD1-CG2 3.41Å
784F91.7Very high89.4Confident35 Ų3560 Ų6015%0.15428%0.284CS..EExtended strand (participates in β ladder)trans-80141.5176.7-70.3-6.3000111.4L773 N774 R777 V782 F792L773-F784 HydrophobicContact CD2-CE1 4.05Å; L773-F784 HydrophobicContact CD2-CZ 4.32Å; L773-F784 HydrophobicContact CG-CE1 4Å; L773-F784 HydrophobicContact CG-CZ 4.22Å; N774-F784 VanDerWaalsContact OD1-CE2 3.26Å; N774-F784 WeakPolarHBondContact OD1-CE2 3.23Å; R777-F784 HydrophobicContact CB-CE1 4.5Å; R777-F784 HydrophobicContact CB-CZ 4.5Å; R777-F784 HydrophobicContact CG-CD1 4.43Å; V782-F784 HydrophobicContact CG2-CE1 4.17Å; F784-F792 HydrophobicContact CD1-CB 3.62Å; F784-F792 HydrophobicContact CE1-CB 4.07Å
785M85.9Confident89.4Confident65 Ų6558.1 Ų58.132%0.3227%0.274SS..  trans-96.9118.2-177.4-63.2-63.3-67.500110.5I728 K791 R793I728-M785 HydrophobicContact CD1-CE 4Å; I728-M785 HydrophobicContact CG1-CE 4.49Å; I728-M785 HydrophobicContact CG2-CG 4.2Å; M785-K791 HydrophobicContact CB-CB 4.01Å; M785-K791 HydrophobicContact CG-CB 4.44Å; M785-K791 PolarHBondContact N-O 2.95Å; M785-R793 HydrophobicContact CG-CG 4.41Å; M785-R793 HydrophobicContact SD-CG 3.86Å
786G77.7Confident89.3Confident67 Ų6753.1 Ų53.169%0.69126%0.255SS*.THydrogen-bonded Turntrans70.7-156179.900000113.2
787H75.5Confident89.2Confident210 Ų21053.1 Ų53.197%0.97226%0.255SS*.THydrogen-bonded Turntrans-85.2-13.2-179.1-57.6-62.7000113.4
788D74.6Confident89.2Confident92 Ų9248.9 Ų48.949%0.49224%0.239SC..  trans-95.2131.6179.2-173.92.7000110.2S790D788-S790 PolarHBondContact O-N 2.92Å; D788-S790 PolarHBondContact OD1-N 3.3Å; D788-S790 VanDerWaalsContact OD2-CB 3.24Å; D788-S790 WeakPolarHBondContact OD2-CB 3.07Å; D788-S790 PolarHBondContact OD2-OG 3.49Å
789S80Confident89.3Confident21 Ų2142.5 Ų42.515%0.14722%0.215CC..THydrogen-bonded Turntrans-70.3-6.617459.10000113.8Q731 R770 K791Q731-S789 VanDerWaalsContact NE2-C 3.35Å; Q731-S789 PolarHBondContact NE2-O 2.87Å; Q731-S789 PolarHBondContact NE2-OG 3.07Å; R770-S789 PolarHBondContact NH2-OG 3.31Å; S789-K791 VanDerWaalsContact C-N 3.34Å; S789-K791 PolarHBondContact O-N 3Å
790S85.5Confident89.2Confident40 Ų4042.7 Ų42.728%0.2822%0.216SC..THydrogen-bonded Turntrans-65.1-32.3-173.964.30000114.3T730 Q731 D788T730-S790 CarbonylContact C-O 3.6Å; T730-S790 WeakPolarHBondContact CA-O 3.42Å; Q731-S790 PolarHBondContact N-O 3.38Å; D788-S790 PolarHBondContact O-N 2.92Å; D788-S790 PolarHBondContact OD1-N 3.3Å; D788-S790 VanDerWaalsContact OD2-CB 3.24Å; D788-S790 WeakPolarHBondContact OD2-CB 3.07Å; D788-S790 PolarHBondContact OD2-OG 3.49Å
791K91Very high89.2Confident111 Ų11142.6 Ų42.648%0.48322%0.215SC..EExtended strand (participates in β ladder)trans-114.2138.2-178.1-67.9-172.3178.9-169.20111.4I728 F729 T730 M785 S789I728-K791 HydrophobicContact CG2-CB 3.96Å; I728-K791 HydrophobicContact CG2-CD 4.23Å; I728-K791 HydrophobicContact CG2-CG 4.38Å; F729-K791 CarbonylContact O-C 3.56Å; F729-K791 WeakPolarHBondContact O-CA 3.31Å; T730-K791 HydrophobicContact CG2-CG 4.29Å; M785-K791 HydrophobicContact CB-CB 4.01Å; M785-K791 HydrophobicContact CG-CB 4.44Å; M785-K791 PolarHBondContact N-O 2.95Å; S789-K791 VanDerWaalsContact C-N 3.34Å; S789-K791 PolarHBondContact O-N 3Å
792F93Very high89Confident0 Ų042.6 Ų42.60%022%0.215CC..EExtended strand (participates in β ladder)trans-149.1157.9-179.164.6-90.6000113.2L713 I728 F729 L734 L773 V782 W783 F784 I794L713-F792 HydrophobicContact CD2-CE2 3.54Å; L713-F792 HydrophobicContact CD2-CZ 4.07Å; I728-F792 CarbonylContact C-O 3.59Å; I728-F792 WeakPolarHBondContact CA-O 3.1Å; F729-F792 HydrophobicContact CB-CD2 4.41Å; F729-F792 HydrophobicContact CB-CE1 4.26Å; F729-F792 HydrophobicContact CB-CE2 3.84Å; F729-F792 HydrophobicContact CB-CZ 3.75Å; F729-F792 PolarHBondContact N-O 3.38Å; F729-F792 PolarHBondContact O-N 3.25Å; L734-F792 HydrophobicContact CB-CE1 4.47Å; L734-F792 HydrophobicContact CB-CZ 4.04Å; L734-F792 HydrophobicContact CD2-CE1 4.36Å; L734-F792 HydrophobicContact CD2-CZ 3.94Å; L734-F792 HydrophobicContact CG-CZ 4.5Å; L773-F792 HydrophobicContact CD1-CE2 4.39Å; L773-F792 HydrophobicContact CD1-CZ 4.36Å; L773-F792 HydrophobicContact CD2-CD1 3.83Å; L773-F792 HydrophobicContact CD2-CE1 3.76Å; L773-F792 HydrophobicContact CD2-CG 4.49Å; L773-F792 HydrophobicContact CD2-CZ 4.37Å; V782-F792 HydrophobicContact CB-CD2 4.14Å; V782-F792 HydrophobicContact CG1-CD2 3.91Å; V782-F792 HydrophobicContact CG1-CE2 4.25Å; W783-F792 CarbonylContact O-C 3.5Å; W783-F792 WeakPolarHBondContact O-CA 3.47Å; W783-F792 VanDerWaalsContact O-CB 3.31Å; W783-F792 WeakPolarHBondContact O-CB 3.23Å; F784-F792 HydrophobicContact CD1-CB 3.62Å; F784-F792 HydrophobicContact CE1-CB 4.07Å; F792-I794 HydrophobicContact CD2-CG1 4.22Å; F792-I794 HydrophobicContact CE2-CD1 4.32Å; F792-I794 HydrophobicContact CE2-CG1 3.91Å
793R92.2Very high88.7Confident121 Ų12143.1 Ų43.146%0.45722%0.219SC..EExtended strand (participates in β ladder)trans-105.5149.9169.3-69.4-175.7168.9172.7-1.2110.1G727 I728 V782 W783 M785G727-R793 WeakPolarHBondContact O-CG 3.14Å; I728-R793 HydrophobicContact CG1-CG 4.14Å; V782-R793 CarbonylContact C-O 3.53Å; V782-R793 WeakPolarHBondContact CA-O 3.33Å; V782-R793 WeakPolarHBondContact CB-O 3.25Å; W783-R793 HydrophobicContact CB-CB 4.43Å; W783-R793 PolarHBondContact N-O 3.29Å; W783-R793 PolarHBondContact O-N 3.39Å; M785-R793 HydrophobicContact CG-CG 4.41Å; M785-R793 HydrophobicContact SD-CG 3.86Å
794I93.3Very high88.6Confident8 Ų838.2 Ų38.24%0.04120%0.201CC..EExtended strand (participates in β ladder)trans-101.6134.8178.7-50.3179.2000109.1L713 L716 Y717 F729 F792 V798L713-I794 HydrophobicContact CB-CD1 4.47Å; L713-I794 HydrophobicContact CB-CG2 4.31Å; L713-I794 HydrophobicContact CD2-CD1 3.78Å; L713-I794 HydrophobicContact CD2-CG1 3.96Å; L716-I794 HydrophobicContact CB-CD1 3.71Å; L716-I794 HydrophobicContact CD1-CD1 4.44Å; Y717-I794 HydrophobicContact CD2-CB 3.97Å; Y717-I794 HydrophobicContact CD2-CG2 3.76Å; Y717-I794 WeakPolarHBondContact CE2-O 3.48Å; Y717-I794 HydrophobicContact CG-CG2 4.39Å; F729-I794 HydrophobicContact CD2-CD1 3.63Å; F729-I794 HydrophobicContact CD2-CG1 3.8Å; F729-I794 HydrophobicContact CE2-CD1 3.62Å; F729-I794 HydrophobicContact CE2-CG1 4.02Å; F729-I794 HydrophobicContact CG-CD1 4.23Å; F729-I794 HydrophobicContact CZ-CD1 4.22Å; F792-I794 HydrophobicContact CD2-CG1 4.22Å; F792-I794 HydrophobicContact CE2-CD1 4.32Å; F792-I794 HydrophobicContact CE2-CG1 3.91Å; I794-V798 HydrophobicContact CG2-CB 4.27Å; I794-V798 HydrophobicContact CG2-CG1 3.53Å; I794-V798 HydrophobicContact CG2-CG2 3.85Å
795T92.3Very high88.5Confident2 Ų236.7 Ų36.71%0.01220%0.195CC..  trans-98.9160.7178.167.10000110.9G780 M781 W783 S797 V798G780-T795 PolarHBondContact O-OG1 3.39Å; M781-T795 VanDerWaalsContact C-OG1 3.25Å; M781-T795 WeakPolarHBondContact CA-OG1 3.34Å; M781-T795 PolarHBondContact O-N 3.02Å; M781-T795 PolarHBondContact O-OG1 2.92Å; M781-T795 VanDerWaalsContact O-OG1 3.07Å; W783-T795 VanDerWaalsContact CD1-CG2 3.41Å; T795-S797 PolarHBondContact O-N 3.46Å; T795-S797 VanDerWaalsContact O-N 3.12Å; T795-S797 WeakPolarHBondContact OG1-CB 3.37Å; T795-S797 PolarHBondContact OG1-OG 3Å; T795-V798 WeakPolarHBondContact O-CG2 3.24Å; T795-V798 PolarHBondContact O-N 3.42Å
796E90.7Very high88.4Confident6 Ų638.7 Ų38.73%0.02820%0.199CC..G310 helixtrans-60.9-17174.659.2-87.1-164.100114G651 L652 F686 V798 F799G651-E796 WeakPolarHBondContact CA-OE1 3.41Å; L652-E796 WeakPolarHBondContact CB-OE1 3.36Å; L652-E796 PolarHBondContact N-OE1 2.92Å; F686-E796 HydrophobicContact CB-CG 4.15Å; F686-E796 HydrophobicContact CD1-CB 4.42Å; F686-E796 HydrophobicContact CD1-CG 3.97Å; F686-E796 VanDerWaalsContact CE1-O 3.32Å; F686-E796 WeakPolarHBondContact CE1-O 3.26Å; E796-V798 PolarHBondContact O-N 3.04Å; E796-F799 HydrophobicContact CB-CD2 4.24Å; E796-F799 WeakPolarHBondContact O-CB 3.4Å; E796-F799 VanDerWaalsContact O-CD2 3.27Å; E796-F799 WeakPolarHBondContact O-CD2 3.34Å; E796-F799 PolarHBondContact O-N 3.47Å
797S93.5Very high88.4Confident0 Ų036.9 Ų36.90%018%0.177CC..G310 helixtrans-55-25.3175.8-53.10000112.5H649 G780 M781 T795 F799 R800H649-S797 WeakPolarHBondContact CB-OG 3.48Å; G780-S797 WeakPolarHBondContact O-CB 3.28Å; G780-S797 PolarHBondContact O-OG 2.97Å; M781-S797 WeakPolarHBondContact SD-CB 3.35Å; M781-S797 VanDerWaalsContact SD-O 3.38Å; T795-S797 PolarHBondContact O-N 3.46Å; T795-S797 VanDerWaalsContact O-N 3.12Å; T795-S797 WeakPolarHBondContact OG1-CB 3.37Å; T795-S797 PolarHBondContact OG1-OG 3Å; S797-F799 PolarHBondContact O-N 3.38Å; S797-R800 WeakPolarHBondContact O-CB 3.29Å; S797-R800 PolarHBondContact O-N 3.47Å
798V94.8Very high88.3Confident0 Ų029.9 Ų29.90%016%0.161CC..G310 helixtrans-63.2-21177.9-60.50000114.4L713 C714 Y717 M781 I794 T795 E796 R800 F801L713-V798 HydrophobicContact CB-CG1 3.97Å; C714-V798 HydrophobicContact CB-CB 4.08Å; C714-V798 HydrophobicContact CB-CG2 4Å; C714-V798 WeakPolarHBondContact CB-O 3.1Å; Y717-V798 HydrophobicContact CD2-CG2 4.36Å; Y717-V798 HydrophobicContact CG-CG2 4.16Å; M781-V798 HydrophobicContact CB-CG1 4.01Å; M781-V798 HydrophobicContact SD-CG1 4.43Å; I794-V798 HydrophobicContact CG2-CB 4.27Å; I794-V798 HydrophobicContact CG2-CG1 3.53Å; I794-V798 HydrophobicContact CG2-CG2 3.85Å; T795-V798 WeakPolarHBondContact O-CG2 3.24Å; T795-V798 PolarHBondContact O-N 3.42Å; E796-V798 PolarHBondContact O-N 3.04Å; V798-R800 PolarHBondContact O-N 3.39Å; V798-F801 WeakPolarHBondContact O-CB 3.3Å; V798-F801 WeakPolarHBondContact O-CD2 3.47Å; V798-F801 PolarHBondContact O-N 3.22Å
799F92.5Very high88.2Confident3 Ų328.9 Ų28.91%0.01316%0.156CC..G310 helixtrans-58.5-21.3175.6-83.4-82.8000112.6M487 F493 E684 F686 Y717 L718 E796 S797 F801 G802M487-F799 HydrophobicContact SD-CE2 4.37Å; M487-F799 HydrophobicContact SD-CZ 4.09Å; F493-F799 HydrophobicContact CD1-CD1 4.49Å; F493-F799 HydrophobicContact CD1-CE1 4.11Å; F493-F799 AromaticContact CE1-CD1 3.47Å; F493-F799 HydrophobicContact CE1-CD1 3.47Å; F493-F799 VanDerWaalsContact CE1-CD1 3.47Å; F493-F799 AromaticContact CE1-CE1 3.43Å; F493-F799 HydrophobicContact CE1-CE1 3.43Å; F493-F799 VanDerWaalsContact CE1-CE1 3.43Å; F493-F799 AromaticContact CZ-CD1 3.84Å; F493-F799 HydrophobicContact CZ-CD1 3.84Å; F493-F799 HydrophobicContact CZ-CE1 4.27Å; E684-F799 HydrophobicContact CB-CD2 4.25Å; E684-F799 HydrophobicContact CG-CB 3.59Å; E684-F799 HydrophobicContact CG-CD1 4.09Å; E684-F799 HydrophobicContact CG-CD2 3.55Å; E684-F799 HydrophobicContact CG-CE2 4.17Å; E684-F799 HydrophobicContact CG-CG 3.51Å; F686-F799 HydrophobicContact CE1-CB 4.39Å; Y717-F799 AromaticContact CD1-CE2 3.7Å; Y717-F799 HydrophobicContact CD1-CE2 3.7Å; Y717-F799 HydrophobicContact CD1-CZ 4.07Å; Y717-F799 HydrophobicContact CE1-CD2 4.44Å; Y717-F799 AromaticContact CE1-CE2 3.49Å; Y717-F799 HydrophobicContact CE1-CE2 3.49Å; Y717-F799 VanDerWaalsContact CE1-CE2 3.49Å; Y717-F799 HydrophobicContact CE1-CZ 4.09Å; L718-F799 HydrophobicContact CD2-CE1 3.87Å; L718-F799 HydrophobicContact CD2-CZ 3.72Å; E796-F799 HydrophobicContact CB-CD2 4.24Å; E796-F799 WeakPolarHBondContact O-CB 3.4Å; E796-F799 VanDerWaalsContact O-CD2 3.27Å; E796-F799 WeakPolarHBondContact O-CD2 3.34Å; E796-F799 PolarHBondContact O-N 3.47Å; S797-F799 PolarHBondContact O-N 3.38Å; F799-F801 PolarHBondContact O-N 2.94Å; F799-G802 PolarHBondContact O-N 2.82Å
800R93.3Very high88.5Confident9 Ų931.5 Ų31.53%0.03417%0.168CC..G310 helixtrans-58.3-32.1173.3-159173.1176.1-120.6-8.7112.8L511 T512 H649 F686 S797 V798 G802 A803 E823L511-R800 HydrophobicContact CD1-CB 4.19Å; L511-R800 HydrophobicContact CD1-CG 3.8Å; L511-R800 HydrophobicContact CD2-CG 4.02Å; T512-R800 VanDerWaalsContact O-CZ 3.27Å; T512-R800 PolarHBondContact O-NH1 2.99Å; T512-R800 PolarHBondContact O-NH2 3.43Å; H649-R800 WeakPolarHBondContact NE2-CD 3.31Å; H649-R800 PolarHBondContact NE2-NH1 3.19Å; F686-R800 HydrophobicContact CZ-CB 4.24Å; S797-R800 WeakPolarHBondContact O-CB 3.29Å; S797-R800 PolarHBondContact O-N 3.47Å; V798-R800 PolarHBondContact O-N 3.39Å; R800-G802 VanDerWaalsContact C-N 3.26Å; R800-G802 PolarHBondContact O-N 3.08Å; R800-A803 WeakPolarHBondContact O-CB 3.15Å; R800-A803 PolarHBondContact O-N 2.92Å; R800-E823 IonicContact CZ-OE2 3.74Å; R800-E823 IonicContact NE-OE2 2.79Å; R800-E823 PolarHBondContact NE-OE2 3.45Å; R800-E823 IonicContact NH2-OE2 2.79Å; R800-E823 PolarHBondContact NH2-OE2 3.12Å
801F94.4Very high88.4Confident0 Ų032.3 Ų32.30%017%0.173CC..G310 helixtrans-72.5-16.9177.1-69-88.1000113.8L511 L702 M707 G710 K711 L776 M781 V798 F799L511-F801 HydrophobicContact CD1-CD1 3.99Å; L511-F801 HydrophobicContact CD1-CE1 4.1Å; L511-F801 HydrophobicContact CD1-CG 4.2Å; L511-F801 HydrophobicContact CD1-CZ 4.4Å; L702-F801 HydrophobicContact CD1-CE1 3.59Å; L702-F801 HydrophobicContact CD1-CZ 3.59Å; M707-F801 HydrophobicContact CE-CD1 4.02Å; M707-F801 HydrophobicContact SD-CD1 3.73Å; M707-F801 HydrophobicContact SD-CE1 3.7Å; G710-F801 VanDerWaalsContact C-CG 3.45Å; K711-F801 HydrophobicContact CG-CB 4.04Å; K711-F801 WeakPolarHBondContact CG-O 3.43Å; K711-F801 PolarHBondContact NZ-O 3.43Å; L776-F801 HydrophobicContact CD2-CE1 4.41Å; L776-F801 HydrophobicContact CD2-CE2 4.27Å; L776-F801 HydrophobicContact CD2-CZ 3.55Å; M781-F801 HydrophobicContact CE-CE2 3.94Å; M781-F801 HydrophobicContact CG-CE2 4.05Å; M781-F801 HydrophobicContact SD-CE2 3.87Å; V798-F801 WeakPolarHBondContact O-CB 3.3Å; V798-F801 WeakPolarHBondContact O-CD2 3.47Å; V798-F801 PolarHBondContact O-N 3.22Å; F799-F801 PolarHBondContact O-N 2.94Å
802G91.1Very high88.1Confident0 Ų033.2 Ų33.20%017%0.173CC..G310 helixtrans-99.48.9175.300000114F493 F799 R800 D804 V805 R806F493-G802 WeakPolarHBondContact CE2-O 3.07Å; F799-G802 PolarHBondContact O-N 2.82Å; R800-G802 VanDerWaalsContact C-N 3.26Å; R800-G802 PolarHBondContact O-N 3.08Å; G802-D804 PolarHBondContact O-N 2.98Å; G802-D804 VanDerWaalsContact O-N 3.09Å; G802-V805 WeakPolarHBondContact O-CG2 3.39Å; G802-V805 PolarHBondContact O-N 3.36Å; G802-R806 PolarHBondContact O-N 3.05Å
803A88.9Confident87.9Confident11 Ų1137.8 Ų37.89%0.09120%0.195CC..Hα-helixtrans-59.8-25.1-173.800000114R800 V805 L818R800-A803 WeakPolarHBondContact O-CB 3.15Å; R800-A803 PolarHBondContact O-N 2.92Å; A803-V805 VanDerWaalsContact C-N 3.34Å; A803-L818 HydrophobicContact CB-CD1 3.78Å; A803-L818 HydrophobicContact CB-CD2 4.04Å
804D88.2Confident87.7Confident1 Ų132 Ų321%0.00517%0.173CC..Hα-helixtrans-68.8-28.1174.560-34.6000113.4S500 W509 K711 G802 A814 Q815S500-D804 PolarHBondContact OG-OD2 2.97Å; W509-D804 HydrophobicContact CH2-CB 4.43Å; W509-D804 HydrophobicContact CZ2-CB 3.67Å; W509-D804 VanDerWaalsContact CZ2-CG 3.42Å; W509-D804 PolarHBondContact NE1-OD2 3.38Å; K711-D804 VanDerWaalsContact NZ-CG 3.33Å; K711-D804 IonicContact NZ-OD1 2.97Å; K711-D804 PolarHBondContact NZ-OD1 2.96Å; K711-D804 IonicContact NZ-OD2 3.51Å; K711-D804 PolarHBondContact NZ-OD2 2.98Å; G802-D804 PolarHBondContact O-N 2.98Å; G802-D804 VanDerWaalsContact O-N 3.09Å; D804-A814 WeakPolarHBondContact O-CB 3.44Å; D804-Q815 HydrophobicContact CB-CG 3.89Å
805V90.1Very high87.4Confident4 Ų432.7 Ų32.72%0.02418%0.176CC..Hα-helixtrans-114.8-6.5-175.5-66.70000114.4F493 R496 L497 G802 A803 A807 P811F493-V805 HydrophobicContact CD2-CG2 4.03Å; F493-V805 HydrophobicContact CE2-CG2 3.75Å; R496-V805 HydrophobicContact CB-CB 3.81Å; R496-V805 HydrophobicContact CB-CG1 4.09Å; R496-V805 HydrophobicContact CB-CG2 4.45Å; L497-V805 HydrophobicContact CB-CG2 4.15Å; L497-V805 HydrophobicContact CD1-CG2 4.18Å; G802-V805 WeakPolarHBondContact O-CG2 3.39Å; G802-V805 PolarHBondContact O-N 3.36Å; A803-V805 VanDerWaalsContact C-N 3.34Å; V805-A807 VanDerWaalsContact C-N 3.33Å; V805-A807 PolarHBondContact O-N 3.36Å; V805-P811 HydrophobicContact CG1-CG 4.39Å
806R83.9Confident87.2Confident107 Ų10739.5 Ų39.540%0.40420%0.201SC..Hα-helixtrans-61.2-40178.3-174.117464.6-175.4-3112.6F493 E684 G802F493-R806 HydrophobicContact CD2-CB 4.19Å; F493-R806 HydrophobicContact CE2-CB 3.84Å; F493-R806 HydrophobicContact CE2-CG 4.43Å; E684-R806 VanDerWaalsContact OE1-CD 3.28Å; E684-R806 WeakPolarHBondContact OE1-CD 3.15Å; E684-R806 IonicContact OE1-CZ 3.66Å; E684-R806 IonicContact OE1-NE 3.14Å; E684-R806 IonicContact OE1-NH1 2.68Å; E684-R806 PolarHBondContact OE1-NH1 3.39Å; E684-R806 IonicContact OE2-NH1 2.83Å; E684-R806 PolarHBondContact OE2-NH1 3.25Å; G802-R806 PolarHBondContact O-N 3.05Å
807A77.5Confident87.1Confident29 Ų2942.9 Ų42.924%0.2421%0.214CC..SBendtrans-83.3154.8177.500000111.3R496 V805 D809R496-A807 PolarHBondContact NH1-O 2.77Å; V805-A807 VanDerWaalsContact C-N 3.33Å; V805-A807 PolarHBondContact O-N 3.36Å; A807-D809 HydrophobicContact CB-CB 4.4Å; A807-D809 PolarHBondContact O-N 3.47Å
808G72.8Confident86.8Confident62 Ų6243.9 Ų43.964%0.63922%0.219SC*.SBendtrans-58.4-12.2173.600000115.3R496R496-G808 VanDerWaalsContact NH1-CA 3.33Å
809D73.7Confident86.4Confident71 Ų7146.7 Ų46.738%0.3823%0.233SC..SBendtrans-71165.7-169.6-53.5-28.7000113.4A807 R817A807-D809 HydrophobicContact CB-CB 4.4Å; A807-D809 PolarHBondContact O-N 3.47Å; D809-R817 IonicContact OD2-CZ 3.45Å; D809-R817 IonicContact OD2-NH1 3.75Å; D809-R817 PolarHBondContact OD2-NH1 3.5Å; D809-R817 IonicContact OD2-NH2 3.79Å; D809-R817 PolarHBondContact OD2-NH2 3.47Å
810D84.9Confident86.1Confident76 Ų7655 Ų5541%0.40627%0.265SS..  trans-58.3126.4167.5-176.6-30.4000108.4R812 E813 A814D810-R812 PolarHBondContact O-N 3.05Å; D810-R812 WeakPolarHBondContact OD1-CB 3.48Å; D810-R812 PolarHBondContact OD1-N 2.83Å; D810-R812 IonicContact OD1-NE 3.61Å; D810-R812 PolarHBondContact OD1-NE 3.47Å; D810-R812 IonicContact OD1-NH2 3.41Å; D810-R812 IonicContact OD2-CZ 3.42Å; D810-R812 IonicContact OD2-NE 2.64Å; D810-R812 IonicContact OD2-NH2 2.59Å; D810-R812 PolarHBondContact OD2-NH2 3.2Å; D810-E813 HydrophobicContact CB-CB 4.4Å; D810-E813 PolarHBondContact O-N 3.21Å; D810-A814 PolarHBondContact O-N 3.02Å; D810-A814 VanDerWaalsContact O-N 3.09Å
811P84.7Confident85.7Confident57 Ų5757.9 Ų57.937%0.3728%0.281SS..Hα-helixtrans-50.1-34.7179.9-28.934.8000113.7V805 A814 Q815V805-P811 HydrophobicContact CG1-CG 4.39Å; P811-A814 PolarHBondContact O-N 3.49Å; P811-Q815 VanDerWaalsContact O-CG 3.28Å; P811-Q815 WeakPolarHBondContact O-CG 3.33Å; P811-Q815 PolarHBondContact O-N 2.96Å
812R85Confident85Confident131 Ų13158.6 Ų58.649%0.49429%0.288SS..Hα-helixtrans-68.3-37.2178.9-68.1174.9-69.2-177.4-0.8112.5D810 R816D810-R812 PolarHBondContact O-N 3.05Å; D810-R812 WeakPolarHBondContact OD1-CB 3.48Å; D810-R812 PolarHBondContact OD1-N 2.83Å; D810-R812 IonicContact OD1-NE 3.61Å; D810-R812 PolarHBondContact OD1-NE 3.47Å; D810-R812 IonicContact OD1-NH2 3.41Å; D810-R812 IonicContact OD2-CZ 3.42Å; D810-R812 IonicContact OD2-NE 2.64Å; D810-R812 IonicContact OD2-NH2 2.59Å; D810-R812 PolarHBondContact OD2-NH2 3.2Å; R812-R816 VanDerWaalsContact O-CG 3.31Å; R812-R816 WeakPolarHBondContact O-CG 3.37Å; R812-R816 PolarHBondContact O-N 2.65Å
813E87.9Confident84.6Confident96 Ų9659.1 Ų59.145%0.44929%0.29SS..Hα-helixtrans-71.8-37.5176.5-171.758.9-161.200111D810 R816 R817D810-E813 HydrophobicContact CB-CB 4.4Å; D810-E813 PolarHBondContact O-N 3.21Å; E813-R816 PolarHBondContact O-N 3.18Å; E813-R816 IonicContact OE2-NH1 3.76Å; E813-R817 WeakPolarHBondContact O-CB 3.43Å; E813-R817 PolarHBondContact O-N 2.85Å
814A88.4Confident84.6Confident0 Ų058.6 Ų58.60%029%0.286CS..Hα-helixtrans-62.9-43.217300000111.9D804 D810 P811 R817 L818D804-A814 WeakPolarHBondContact O-CB 3.44Å; D810-A814 PolarHBondContact O-N 3.02Å; D810-A814 VanDerWaalsContact O-N 3.09Å; P811-A814 PolarHBondContact O-N 3.49Å; A814-R817 WeakPolarHBondContact O-CB 3.43Å; A814-R817 PolarHBondContact O-N 3Å; A814-L818 WeakPolarHBondContact O-CG 3.46Å; A814-L818 PolarHBondContact O-N 2.86Å
815Q87.8Confident84.6Confident22 Ų2261.2 Ų61.210%0.10330%0.299CS..Hα-helixtrans-59.9-46.8174.2-73.6172.711.300111.9W509 D804 P811 R817 L818 I819W509-Q815 HydrophobicContact CD2-CG 4.28Å; W509-Q815 HydrophobicContact CG-CG 4.03Å; D804-Q815 HydrophobicContact CB-CG 3.89Å; P811-Q815 VanDerWaalsContact O-CG 3.28Å; P811-Q815 WeakPolarHBondContact O-CG 3.33Å; P811-Q815 PolarHBondContact O-N 2.96Å; Q815-R817 VanDerWaalsContact C-N 3.3Å; Q815-R817 PolarHBondContact O-N 3.47Å; Q815-L818 PolarHBondContact O-N 3.39Å; Q815-I819 VanDerWaalsContact O-CG1 3.31Å; Q815-I819 WeakPolarHBondContact O-CG1 3.21Å; Q815-I819 PolarHBondContact O-N 3.11Å
816R87.5Confident84.5Confident144 Ų14464.4 Ų64.454%0.54332%0.32SS..Hα-helixtrans-60.3-39.3176.1-72.3170.9-173.7167.31.4112.5R812 E813 I819 R820R812-R816 VanDerWaalsContact O-CG 3.31Å; R812-R816 WeakPolarHBondContact O-CG 3.37Å; R812-R816 PolarHBondContact O-N 2.65Å; E813-R816 PolarHBondContact O-N 3.18Å; E813-R816 IonicContact OE2-NH1 3.76Å; R816-I819 PolarHBondContact O-N 3.5Å; R816-R820 WeakPolarHBondContact O-CB 3.27Å; R816-R820 PolarHBondContact O-N 3.3Å
817R87.8Confident84.4Confident78 Ų7861.5 Ų61.529%0.29431%0.312SS..Hα-helixtrans-62.3-48173.7178.3174.765.3-148-4.6111.2D809 E813 A814 Q815 I819 R820 D821D809-R817 IonicContact OD2-CZ 3.45Å; D809-R817 IonicContact OD2-NH1 3.75Å; D809-R817 PolarHBondContact OD2-NH1 3.5Å; D809-R817 IonicContact OD2-NH2 3.79Å; D809-R817 PolarHBondContact OD2-NH2 3.47Å; E813-R817 WeakPolarHBondContact O-CB 3.43Å; E813-R817 PolarHBondContact O-N 2.85Å; A814-R817 WeakPolarHBondContact O-CB 3.43Å; A814-R817 PolarHBondContact O-N 3Å; Q815-R817 VanDerWaalsContact C-N 3.3Å; Q815-R817 PolarHBondContact O-N 3.47Å; R817-I819 VanDerWaalsContact C-N 3.31Å; R817-I819 PolarHBondContact O-N 3.25Å; R817-R820 WeakPolarHBondContact O-CB 3.3Å; R817-R820 PolarHBondContact O-N 3.36Å; R817-D821 WeakPolarHBondContact CG-OD2 3.29Å; R817-D821 WeakPolarHBondContact O-CB 3.49Å; R817-D821 PolarHBondContact O-N 2.95Å
818L87.4Confident83.8Confident20 Ų2067.9 Ų67.911%0.10534%0.337CS..Hα-helixtrans-60-40.6177.4-68.9170.4000112.2W509 A803 A814 Q815 D821 G822 E823 A824W509-L818 HydrophobicContact CH2-CD1 4.06Å; W509-L818 HydrophobicContact CZ3-CD1 4.03Å; A803-L818 HydrophobicContact CB-CD1 3.78Å; A803-L818 HydrophobicContact CB-CD2 4.04Å; A814-L818 WeakPolarHBondContact O-CG 3.46Å; A814-L818 PolarHBondContact O-N 2.86Å; Q815-L818 PolarHBondContact O-N 3.39Å; L818-D821 PolarHBondContact O-N 3.3Å; L818-G822 PolarHBondContact O-N 3.14Å; L818-E823 HydrophobicContact CB-CB 4.25Å; L818-E823 HydrophobicContact CD2-CB 3.97Å; L818-E823 HydrophobicContact CD2-CG 4.23Å; L818-E823 WeakPolarHBondContact O-CB 3.45Å; L818-E823 PolarHBondContact O-N 2.96Å; L818-A824 HydrophobicContact CB-CB 3.97Å; L818-A824 PolarHBondContact O-N 3.02Å
819I87.2Confident82.5Confident60 Ų6071.7 Ų71.731%0.30834%0.342SS..Hα-helixtrans-64.6-44.9175.9-66.8163.7000110.8Q815 R816 R817 D821 G822 A824 P826Q815-I819 VanDerWaalsContact O-CG1 3.31Å; Q815-I819 WeakPolarHBondContact O-CG1 3.21Å; Q815-I819 PolarHBondContact O-N 3.11Å; R816-I819 PolarHBondContact O-N 3.5Å; R817-I819 VanDerWaalsContact C-N 3.31Å; R817-I819 PolarHBondContact O-N 3.25Å; I819-D821 VanDerWaalsContact C-N 3.29Å; I819-D821 PolarHBondContact O-N 3.02Å; I819-G822 PolarHBondContact O-N 2.92Å; I819-G822 VanDerWaalsContact O-N 3.17Å; I819-A824 WeakPolarHBondContact CA-O 3.43Å; I819-A824 HydrophobicContact CG1-CB 4.12Å; I819-P826 HydrophobicContact CD1-CB 4.28Å; I819-P826 HydrophobicContact CD1-CG 4.44Å
820R86.1Confident80.5Confident178 Ų17877 Ų7767%0.67237%0.365SS*.Hα-helixtrans-61.7-38.5177.9-175.9-174.666.1-155.8-0.7112.2R816 R817 G822R816-R820 WeakPolarHBondContact O-CB 3.27Å; R816-R820 PolarHBondContact O-N 3.3Å; R817-R820 WeakPolarHBondContact O-CB 3.3Å; R817-R820 PolarHBondContact O-N 3.36Å; R820-G822 PolarHBondContact O-N 3.34Å
821D84.1Confident77.8Confident69 Ų6981.3 Ų81.337%0.36939%0.387SS..THydrogen-bonded Turntrans-81.4-1.9-177.9-58.4-13.9000112R817 L818 I819 E823R817-D821 WeakPolarHBondContact CG-OD2 3.29Å; R817-D821 WeakPolarHBondContact O-CB 3.49Å; R817-D821 PolarHBondContact O-N 2.95Å; L818-D821 PolarHBondContact O-N 3.3Å; I819-D821 VanDerWaalsContact C-N 3.29Å; I819-D821 PolarHBondContact O-N 3.02Å; D821-E823 VanDerWaalsContact C-N 3.3Å; D821-E823 PolarHBondContact O-N 3.2Å
822G79.4Confident75.1Confident15 Ų1587.1 Ų87.116%0.15541%0.409CS..THydrogen-bonded Turntrans80.94.2177.900000114.9T512 L818 I819 R820 A824T512-G822 PolarHBondContact OG1-O 3.19Å; L818-G822 PolarHBondContact O-N 3.14Å; I819-G822 PolarHBondContact O-N 2.92Å; I819-G822 VanDerWaalsContact O-N 3.17Å; R820-G822 PolarHBondContact O-N 3.34Å; G822-A824 VanDerWaalsContact C-N 3.32Å
823E82.9Confident72.4Confident10 Ų1087.8 Ų87.85%0.04742%0.422CS..SBendtrans-71.8-26.5177.9-72.5-78.9-17600112.9L511 T512 Y688 R690 R800 L818 D821L511-E823 WeakPolarHBondContact CA-O 3.41Å; T512-E823 PolarHBondContact N-O 3.26Å; T512-E823 PolarHBondContact OG1-O 3.07Å; Y688-E823 VanDerWaalsContact OH-CD 3.32Å; Y688-E823 PolarHBondContact OH-OE1 2.9Å; Y688-E823 PolarHBondContact OH-OE2 2.87Å; R690-E823 VanDerWaalsContact CD-CD 3.46Å; R690-E823 VanDerWaalsContact CD-OE1 3.23Å; R690-E823 WeakPolarHBondContact CD-OE1 3.45Å; R690-E823 IonicContact CZ-OE1 3.44Å; R690-E823 IonicContact NE-OE1 3.81Å; R690-E823 IonicContact NH1-OE1 3.43Å; R690-E823 PolarHBondContact NH1-OE1 2.85Å; R800-E823 IonicContact CZ-OE2 3.74Å; R800-E823 IonicContact NE-OE2 2.79Å; R800-E823 PolarHBondContact NE-OE2 3.45Å; R800-E823 IonicContact NH2-OE2 2.79Å; R800-E823 PolarHBondContact NH2-OE2 3.12Å; L818-E823 HydrophobicContact CB-CB 4.25Å; L818-E823 HydrophobicContact CD2-CB 3.97Å; L818-E823 HydrophobicContact CD2-CG 4.23Å; L818-E823 WeakPolarHBondContact O-CB 3.45Å; L818-E823 PolarHBondContact O-N 2.96Å; D821-E823 VanDerWaalsContact C-N 3.3Å; D821-E823 PolarHBondContact O-N 3.2Å
824A88.6Confident69.6Low1 Ų189.2 Ų89.21%0.00843%0.433CS..EExtended strand (participates in β ladder)trans-141.7166.1-174.700000112.4W509 A510 L818 I819 G822W509-A824 HydrophobicContact CE3-CB 3.66Å; W509-A824 HydrophobicContact CZ3-CB 4Å; A510-A824 CarbonylContact O-C 3.39Å; A510-A824 WeakPolarHBondContact O-CA 3.49Å; A510-A824 WeakPolarHBondContact O-CB 3.49Å; L818-A824 HydrophobicContact CB-CB 3.97Å; L818-A824 PolarHBondContact O-N 3.02Å; I819-A824 WeakPolarHBondContact CA-O 3.43Å; I819-A824 HydrophobicContact CG1-CB 4.12Å; G822-A824 VanDerWaalsContact C-N 3.32Å
825M88.7Confident66.8Low55 Ų5596.1 Ų96.127%0.27147%0.469SS..EExtended strand (participates in β ladder)trans-135.1147.7166.9-76.8-164.7-74.700110.7A510 T512 V701A510-M825 PolarHBondContact N-O 3.5Å; A510-M825 PolarHBondContact O-N 3.5Å; T512-M825 HydrophobicContact CG2-CE 3.96Å; T512-M825 HydrophobicContact CG2-CG 4.15Å; V701-M825 HydrophobicContact CB-CE 4.48Å; V701-M825 HydrophobicContact CG2-CE 3.16Å
826P88.1Confident64Low72 Ų72103.7 Ų103.747%0.46851%0.505SS..EExtended strand (participates in β ladder)trans-67.5146.5170.231.2-33.3000109.4I819 E828I819-P826 HydrophobicContact CD1-CB 4.28Å; I819-P826 HydrophobicContact CD1-CG 4.44Å; P826-E828 PolarHBondContact O-N 2.83Å
827I83Confident61.3Low45 Ų45102.7 Ų102.723%0.23152%0.515CS..  trans-96.295.7176.3-56.5177.2000107P508 A510 E704 N829P508-I827 HydrophobicContact CB-CB 4.33Å; P508-I827 HydrophobicContact CB-CD1 4.27Å; P508-I827 HydrophobicContact CG-CB 4.29Å; P508-I827 PolarHBondContact O-N 2.8Å; A510-I827 HydrophobicContact CB-CD1 3.74Å; A510-I827 HydrophobicContact CB-CG1 4.02Å; E704-I827 HydrophobicContact CB-CD1 4.46Å; E704-I827 HydrophobicContact CG-CD1 3.33Å; E704-I827 HydrophobicContact CG-CG2 4.18Å; I827-N829 PolarHBondContact O-N 3.01Å
828E64.1Low58.5Low164 Ų164108.2 Ų108.277%0.76654%0.544SS*.  trans-73.2124.4174.7-71.4-173.1175.300109.7P826 H830P826-E828 PolarHBondContact O-N 2.83Å; E828-H830 PolarHBondContact O-N 2.96Å; E828-H830 VanDerWaalsContact O-N 3.08Å
829N44.7Very low55.7Low141 Ų141116.5 Ų116.575%0.75458%0.582SS**SBendtrans-52.1117167.1-84.7-34000108.5I827I827-N829 PolarHBondContact O-N 3.01Å
830H31.3Very low52.9Low184 Ų184118.6 Ų118.685%0.85260%0.602SS**  trans108.465.5177.4-56.4-63.5000117.3E828E828-H830 PolarHBondContact O-N 2.96Å; E828-H830 VanDerWaalsContact O-N 3.08Å
831L29.6Very low50.1Low166 Ų166119.5 Ų119.587%0.86961%0.614SS**  trans-126.7108.1138.8-85158.3000107.7L833L831-L833 PolarHBondContact O-N 3.33Å
832Q26.9Very low47.5Very low179 Ų179121.4 Ų121.484%0.83663%0.63SS**  trans-55.8105.2165.6-74.1169.7-24.100107.2N834Q832-N834 VanDerWaalsContact C-N 3.3Å; Q832-N834 PolarHBondContact O-N 3.4Å
833L29.6Very low45.1Very low145 Ų145129 Ų12976%0.75967%0.667SS**  trans-64.998.6163.6-80.2157.2000106.5L831 D835L831-L833 PolarHBondContact O-N 3.33Å; L833-D835 PolarHBondContact O-N 3.14Å
834N27.4Very low42.9Very low126 Ų126133.5 Ų133.567%0.67470%0.7SS**  trans-6680.1160.8-79.6-10000107.8Q832 E836Q832-N834 VanDerWaalsContact C-N 3.3Å; Q832-N834 PolarHBondContact O-N 3.4Å; N834-E836 PolarHBondContact O-N 3.01Å
835D30.4Very low40.1Very low144 Ų144136.8 Ų136.877%0.7773%0.733SS**  trans-87.436.8165.7-89.7-13.1000110.6L833L833-D835 PolarHBondContact O-N 3.14Å
836E30.1Very low37.7Very low181 Ų181143.6 Ų143.685%0.84677%0.765SS**  trans-10917.7176.4-74.3-167.7169.300113.6N834N834-E836 PolarHBondContact O-N 3.01Å
837T29.7Very low34.9Very low124 Ų124149.6 Ų149.676%0.76179%0.786SS**SBendtrans-117.914.8-175.624.10000117.7
838E29.7Very low32.9Very low193 Ų193160.5 Ų160.590%0.90284%0.836SS**SBendtrans-126.39175.4-76.1-16716500116.9
839E28.9Very low31.3Very low195 Ų195160.3 Ų160.391%0.91184%0.84SS**SBendtrans-132.460.8175-72.3-169.9165.700113.1
840S27.8Very low30.6Very low103 Ų103161.3 Ų161.372%0.7284%0.844SS**  trans-166.779.615959.70000112.3
841Q26.6Very low30.5Very low198 Ų198160.1 Ų160.193%0.92584%0.844SS**  trans-111.4109.5150.7-86.8-173.1-11.100108
842P30.9Very low30.6Very low109 Ų109159.7 Ų159.771%0.70884%0.842SS**  trans-75.5130.7166.431-27.6000108.3S844P842-S844 PolarHBondContact O-N 2.83Å
843D28.6Very low30.8Very low174 Ų174158.5 Ų158.593%0.9384%0.843SS**  trans-59.199.3168.2-159.19.2000108.6
844S37Very low30.9Very low105 Ų105159.4 Ų159.473%0.73485%0.848SS**  trans-124.9107.6167.961.20000107.8P842P842-S844 PolarHBondContact O-N 2.83Å
845G29.6Very low31.2Very low69 Ų69161.8 Ų161.871%0.71186%0.861SS**  trans-66.815617500000112.5
846E36.9Very low31.2Very low199 Ų199163.2 Ų163.293%0.9387%0.868SS**  trans-144.9138.6154.6-101.6174.9-16900107.9
847E30.5Very low31.3Very low197 Ų197161.7 Ų161.792%0.92187%0.87SS**  trans-70133-173.5-59.5166.9140.700112.1
848E39.8Very low31.5Very low274 Ų274165.1 Ų165.1100%1.2888%0.879SS**  trans-162.70131.9-109.4-177.2-171.900110.7

Retrieved 848 of 848 residues in 792.4 ms (Link to these results)

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