A0A077ZMQ9_TRITR Loading...

histone deacetylase

AlphaFold DB , UniProt , Accession A0A077ZMQ9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 139 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
1M71.2Confident88.9Confident110 Ų110104.6 Ų104.654%0.54248%0.479SS..  0129.20-161.2178.4-8000108.5K5 L6M1-K5 HydrophobicContact CE-CD 4.46Å; M1-K5 HydrophobicContact CG-CB 4.08Å; M1-K5 HydrophobicContact CG-CD 3.84Å; M1-K5 HydrophobicContact CG-CG 3.98Å; M1-K5 HydrophobicContact SD-CD 4.15Å; M1-K5 HydrophobicContact SD-CG 4Å; M1-L6 HydrophobicContact CB-CD2 4.33Å; M1-L6 HydrophobicContact CB-CG 4.31Å; M1-L6 HydrophobicContact CG-CD2 4.12Å; M1-L6 HydrophobicContact CG-CG 4.02Å; M1-L6 HydrophobicContact SD-CD2 3.24Å; M1-L6 WeakPolarHBondContact SD-CD2 3.38Å; M1-L6 HydrophobicContact SD-CG 3.68Å
2E88Confident89Confident155 Ų155107.4 Ų107.472%0.72449%0.493SS*.  trans-70.8152177.6-67.1-178.7164.300111.4K4 K5 L6E2-K4 PolarHBondContact O-N 3.24Å; E2-K5 PolarHBondContact O-N 2.85Å; E2-L6 PolarHBondContact O-N 3.31Å
3R88.9Confident89.2Confident163 Ų163105.8 Ų105.862%0.61548%0.481SS*.Hα-helixtrans-56.4-48-177.6178.6-178.7172.4178.5-3.6112.6K5 L6 E7R3-K5 PolarHBondContact O-N 2.82Å; R3-L6 WeakPolarHBondContact O-CB 3.45Å; R3-L6 PolarHBondContact O-N 2.93Å; R3-L6 VanDerWaalsContact O-N 3.09Å; R3-E7 HydrophobicContact CG-CG 4.45Å; R3-E7 WeakPolarHBondContact CG-OE1 3.33Å; R3-E7 IonicContact CZ-OE1 3.38Å; R3-E7 IonicContact NE-OE1 2.73Å; R3-E7 PolarHBondContact NE-OE1 3.36Å; R3-E7 IonicContact NH2-OE1 3.15Å; R3-E7 PolarHBondContact NH2-OE1 3.36Å; R3-E7 VanDerWaalsContact NH2-OE1 3.15Å; R3-E7 PolarHBondContact O-N 3.29Å
4K90.5Very high89.2Confident170 Ų170103.2 Ų103.274%0.73947%0.473SS*.Hα-helixtrans-59-35.4-179.3-69.8-174.6175.9-177.80112.8E2 K8E2-K4 PolarHBondContact O-N 3.24Å; K4-K8 WeakPolarHBondContact O-CB 3.29Å; K4-K8 PolarHBondContact O-N 3.41Å
5K91.8Very high89.4Confident117 Ų11799.7 Ų99.751%0.50947%0.465SS..Hα-helixtrans-67.8-45.1176-178.1170.4174.8176.50111.3M1 E2 R3 E7 K8 D9M1-K5 HydrophobicContact CE-CD 4.46Å; M1-K5 HydrophobicContact CG-CB 4.08Å; M1-K5 HydrophobicContact CG-CD 3.84Å; M1-K5 HydrophobicContact CG-CG 3.98Å; M1-K5 HydrophobicContact SD-CD 4.15Å; M1-K5 HydrophobicContact SD-CG 4Å; E2-K5 PolarHBondContact O-N 2.85Å; R3-K5 PolarHBondContact O-N 2.82Å; K5-E7 VanDerWaalsContact C-N 3.31Å; K5-E7 PolarHBondContact O-N 2.78Å; K5-K8 PolarHBondContact O-N 2.9Å; K5-D9 WeakPolarHBondContact O-CB 3.49Å; K5-D9 PolarHBondContact O-N 3.07Å
6L90.8Very high89.7Confident12 Ų1294.6 Ų94.66%0.06344%0.442CS..Hα-helixtrans-61.4-39.3176.9-69.8166.3000112.2M1 E2 R3 D9 C10 Q18 R20M1-L6 HydrophobicContact CB-CD2 4.33Å; M1-L6 HydrophobicContact CB-CG 4.31Å; M1-L6 HydrophobicContact CG-CD2 4.12Å; M1-L6 HydrophobicContact CG-CG 4.02Å; M1-L6 HydrophobicContact SD-CD2 3.24Å; M1-L6 WeakPolarHBondContact SD-CD2 3.38Å; M1-L6 HydrophobicContact SD-CG 3.68Å; E2-L6 PolarHBondContact O-N 3.31Å; R3-L6 WeakPolarHBondContact O-CB 3.45Å; R3-L6 PolarHBondContact O-N 2.93Å; R3-L6 VanDerWaalsContact O-N 3.09Å; L6-D9 PolarHBondContact O-N 3.36Å; L6-C10 PolarHBondContact O-N 3.21Å; L6-C10 PolarHBondContact O-SG 2.86Å; L6-Q18 HydrophobicContact CB-CG 3.9Å; L6-Q18 HydrophobicContact CD2-CG 3.74Å; L6-Q18 HydrophobicContact CG-CG 4.35Å; L6-Q18 PolarHBondContact O-NE2 3.45Å; L6-R20 HydrophobicContact CD1-CG 3.94Å
7E90.6Very high89.9Confident83 Ų8397.6 Ų97.639%0.38845%0.45SS..Hα-helixtrans-63.5-50176.2-72.4167.5168.900110.6R3 K5 D9 C10 D11R3-E7 HydrophobicContact CG-CG 4.45Å; R3-E7 WeakPolarHBondContact CG-OE1 3.33Å; R3-E7 IonicContact CZ-OE1 3.38Å; R3-E7 IonicContact NE-OE1 2.73Å; R3-E7 PolarHBondContact NE-OE1 3.36Å; R3-E7 IonicContact NH2-OE1 3.15Å; R3-E7 PolarHBondContact NH2-OE1 3.36Å; R3-E7 VanDerWaalsContact NH2-OE1 3.15Å; R3-E7 PolarHBondContact O-N 3.29Å; K5-E7 VanDerWaalsContact C-N 3.31Å; K5-E7 PolarHBondContact O-N 2.78Å; E7-D9 VanDerWaalsContact C-N 3.27Å; E7-D9 PolarHBondContact O-N 3.06Å; E7-C10 VanDerWaalsContact O-CB 3.31Å; E7-C10 WeakPolarHBondContact O-CB 3.1Å; E7-C10 PolarHBondContact O-N 3.25Å; E7-D11 PolarHBondContact O-N 3.41Å; E7-D11 VanDerWaalsContact O-N 3.15Å
8K92.4Very high90Very high149 Ų14994.8 Ų94.865%0.64844%0.437SS*.Hα-helixtrans-59.9-35.7176.2-174176.1-179.3177.70113.3K4 K5 C10K4-K8 WeakPolarHBondContact O-CB 3.29Å; K4-K8 PolarHBondContact O-N 3.41Å; K5-K8 PolarHBondContact O-N 2.9Å; K8-C10 VanDerWaalsContact C-N 3.35Å
9D90.6Very high90.1Very high45 Ų4598.2 Ų98.224%0.24145%0.445CS..Hα-helixtrans-69.5-33.5175.9-69.2-12.7000111.2K5 L6 E7 Y13K5-D9 WeakPolarHBondContact O-CB 3.49Å; K5-D9 PolarHBondContact O-N 3.07Å; L6-D9 PolarHBondContact O-N 3.36Å; E7-D9 VanDerWaalsContact C-N 3.27Å; E7-D9 PolarHBondContact O-N 3.06Å; D9-Y13 VanDerWaalsContact O-CD2 3.28Å; D9-Y13 WeakPolarHBondContact O-CD2 3.45Å; D9-Y13 WeakPolarHBondContact O-CE2 3.35Å
10C91.5Very high90.2Very high11 Ų11102.8 Ų102.87%0.07446%0.459CS..Hα-helixtrans-67.7-35.4175-72.20000113.1L6 E7 K8 Q12 Y13 I16 Q18L6-C10 PolarHBondContact O-N 3.21Å; L6-C10 PolarHBondContact O-SG 2.86Å; E7-C10 VanDerWaalsContact O-CB 3.31Å; E7-C10 WeakPolarHBondContact O-CB 3.1Å; E7-C10 PolarHBondContact O-N 3.25Å; K8-C10 VanDerWaalsContact C-N 3.35Å; C10-Q12 PolarHBondContact O-N 2.83Å; C10-Y13 PolarHBondContact O-N 2.64Å; C10-I16 WeakPolarHBondContact CB-O 3.46Å; C10-Q18 WeakPolarHBondContact SG-CG 3.2Å; C10-Q18 PolarHBondContact SG-N 2.85Å; C10-Q18 VanDerWaalsContact SG-N 3.36Å
11D91.1Very high90.4Very high136 Ų136105.7 Ų105.773%0.72747%0.467SS*.THydrogen-bonded Turntrans-61-15.4-177.5-65.4-24.2000113.2E7 Y13E7-D11 PolarHBondContact O-N 3.41Å; E7-D11 VanDerWaalsContact O-N 3.15Å; D11-Y13 VanDerWaalsContact C-N 3.3Å
12Q91Very high91.4Very high138 Ų138101.5 Ų101.565%0.64545%0.448SS*.THydrogen-bonded Turntrans-79.3-11.1176.1-58.1-176.85.600113.5C10C10-Q12 PolarHBondContact O-N 2.83Å
13Y90.8Very high91.6Very high86 Ų8697.3 Ų97.334%0.33744%0.436SS..SBendtrans-122.3153.2-173.3-59.9-76.9000111.4D9 C10 D11 S15 I16 E63 S64D9-Y13 VanDerWaalsContact O-CD2 3.28Å; D9-Y13 WeakPolarHBondContact O-CD2 3.45Å; D9-Y13 WeakPolarHBondContact O-CE2 3.35Å; C10-Y13 PolarHBondContact O-N 2.64Å; D11-Y13 VanDerWaalsContact C-N 3.3Å; Y13-S15 PolarHBondContact O-N 3.29Å; Y13-I16 HydrophobicContact CG-CG1 4.41Å; Y13-E63 HydrophobicContact CD1-CG 3.75Å; Y13-E63 HydrophobicContact CE1-CG 4.02Å; Y13-S64 WeakPolarHBondContact CB-O 2.99Å; Y13-S64 VanDerWaalsContact CD1-O 3.24Å; Y13-S64 WeakPolarHBondContact CD1-O 3.2Å
14D89.8Confident91.9Very high70 Ų7094 Ų9437%0.37443%0.427SS..THydrogen-bonded Turntrans-80.4118.5176.1-165.3-4.3000110.9I16 G66 R132D14-I16 PolarHBondContact O-N 2.9Å; D14-G66 PolarHBondContact O-N 3.14Å; D14-R132 IonicContact OD1-NH2 3.64Å
15S92.6Very high92.2Very high50 Ų5088.7 Ų88.735%0.3541%0.411SS..THydrogen-bonded Turntrans58.646.8171.4-55.60000112.9Y13 F67Y13-S15 PolarHBondContact O-N 3.29Å; S15-F67 WeakPolarHBondContact O-CD1 3.47Å; S15-F67 WeakPolarHBondContact O-CE1 3.48Å; S15-F67 PolarHBondContact O-N 3.38Å
16I94.1Very high92.5Very high18 Ų1883.2 Ų83.29%0.09239%0.388CS..  trans-112.7137.5174.2-65.9-63.7000110.5C10 Y13 D14 F69C10-I16 WeakPolarHBondContact CB-O 3.46Å; Y13-I16 HydrophobicContact CG-CG1 4.41Å; D14-I16 PolarHBondContact O-N 2.9Å; I16-F69 HydrophobicContact CG2-CE1 4.45Å; I16-F69 HydrophobicContact CG2-CZ 4.2Å
17Y92.4Very high92.8Very high147 Ų14785 Ų8558%0.57640%0.401SS*.  trans-129.9145.6165.572.7-86000108.5F67 F69Y17-F67 AromaticContact CD1-CD1 3.91Å; Y17-F67 HydrophobicContact CD1-CD1 3.91Å; Y17-F67 HydrophobicContact CD1-CE1 4.33Å; Y17-F67 AromaticContact CE1-CD1 3.89Å; Y17-F67 HydrophobicContact CE1-CD1 3.89Å; Y17-F67 HydrophobicContact CE1-CE1 4.47Å; Y17-F69 WeakPolarHBondContact O-CZ 3.36Å
18Q91.3Very high93.1Very high47 Ų4783.7 Ų83.722%0.2240%0.401CS..  trans-141.2151.6-178.679.2-172.8-38.500112.8L6 C10 F69L6-Q18 HydrophobicContact CB-CG 3.9Å; L6-Q18 HydrophobicContact CD2-CG 3.74Å; L6-Q18 HydrophobicContact CG-CG 4.35Å; L6-Q18 PolarHBondContact O-NE2 3.45Å; C10-Q18 WeakPolarHBondContact SG-CG 3.2Å; C10-Q18 PolarHBondContact SG-N 2.85Å; C10-Q18 VanDerWaalsContact SG-N 3.36Å; Q18-F69 HydrophobicContact CB-CE1 3.91Å; Q18-F69 HydrophobicContact CB-CZ 3.66Å
19R92Very high93.4Very high159 Ų15977.1 Ų77.160%0.637%0.373SS*.  trans-120.9169.4169.2-66.2-64.9-69.2-170.4-6.1108.3R21 S22R19-R21 PolarHBondContact O-N 3.48Å; R19-S22 PolarHBondContact N-OG 3.49Å; R19-S22 WeakPolarHBondContact O-CB 3.47Å; R19-S22 PolarHBondContact O-N 3.23Å; R19-S22 PolarHBondContact O-OG 2.96Å
20R92.2Very high93.7Very high189 Ų18975.7 Ų75.771%0.71337%0.367SS*.THydrogen-bonded Turntrans-49.4-28.1-177.5-71.5-176.963.3168.90.1114.7L6L6-R20 HydrophobicContact CD1-CG 3.94Å
21R93.9Very high94.1Very high165 Ų16583.9 Ų83.962%0.62340%0.396SS*.THydrogen-bonded Turntrans-109.88.6-178.3-59.9-173.970.7-169.51114R19 S23 E24 C25R19-R21 PolarHBondContact O-N 3.48Å; R21-S23 VanDerWaalsContact C-N 3.33Å; R21-S23 PolarHBondContact O-N 3.39Å; R21-E24 IonicContact CZ-OE1 3.72Å; R21-E24 IonicContact CZ-OE2 3.51Å; R21-E24 IonicContact NE-OE1 3.8Å; R21-E24 IonicContact NE-OE2 2.82Å; R21-E24 PolarHBondContact NE-OE2 3.4Å; R21-E24 IonicContact NH2-OE1 2.79Å; R21-E24 PolarHBondContact NH2-OE1 3.45Å; R21-E24 IonicContact NH2-OE2 3.34Å; R21-E24 PolarHBondContact NH2-OE2 3.31Å; R21-E24 PolarHBondContact O-N 2.65Å; R21-C25 VanDerWaalsContact O-CB 3.29Å; R21-C25 WeakPolarHBondContact O-CB 3.18Å; R21-C25 PolarHBondContact O-N 3.48Å
22S93.7Very high94.4Very high21 Ų2180.6 Ų80.615%0.14738%0.381CS..Hα-helixtrans-61.2-41.6-178.5-72.20000112.2R19 C25 A26R19-S22 PolarHBondContact N-OG 3.49Å; R19-S22 WeakPolarHBondContact O-CB 3.47Å; R19-S22 PolarHBondContact O-N 3.23Å; R19-S22 PolarHBondContact O-OG 2.96Å; S22-C25 PolarHBondContact O-N 2.89Å; S22-A26 WeakPolarHBondContact O-CB 2.92Å; S22-A26 PolarHBondContact O-N 3.31Å
23S91.7Very high94.7Very high67 Ų6775 Ų7547%0.46936%0.356SS..Hα-helixtrans-66-40.7177.255.50000113.1R21 A26 S27R21-S23 VanDerWaalsContact C-N 3.33Å; R21-S23 PolarHBondContact O-N 3.39Å; S23-A26 PolarHBondContact O-N 3.17Å; S23-S27 WeakPolarHBondContact O-CB 3.41Å; S23-S27 PolarHBondContact O-N 2.98Å; S23-S27 PolarHBondContact O-OG 3.36Å
24E95.9Very high95.1Very high93 Ų9373.3 Ų73.344%0.43535%0.353SS..Hα-helixtrans-64.1-43.3175-172.5-164.516000111.1R21 S27 S28R21-E24 IonicContact CZ-OE1 3.72Å; R21-E24 IonicContact CZ-OE2 3.51Å; R21-E24 IonicContact NE-OE1 3.8Å; R21-E24 IonicContact NE-OE2 2.82Å; R21-E24 PolarHBondContact NE-OE2 3.4Å; R21-E24 IonicContact NH2-OE1 2.79Å; R21-E24 PolarHBondContact NH2-OE1 3.45Å; R21-E24 IonicContact NH2-OE2 3.34Å; R21-E24 PolarHBondContact NH2-OE2 3.31Å; R21-E24 PolarHBondContact O-N 2.65Å; E24-S27 PolarHBondContact O-N 3.37Å; E24-S28 WeakPolarHBondContact O-CB 3.5Å; E24-S28 PolarHBondContact O-N 2.86Å; E24-S28 PolarHBondContact O-OG 3.25Å
25C97Very high95.5Very high59 Ų5974.1 Ų74.140%0.39936%0.36SS..Hα-helixtrans-63-48.2175.8-174.80000111R21 S22 S27 S28 V29 R53R21-C25 VanDerWaalsContact O-CB 3.29Å; R21-C25 WeakPolarHBondContact O-CB 3.18Å; R21-C25 PolarHBondContact O-N 3.48Å; S22-C25 PolarHBondContact O-N 2.89Å; C25-S27 VanDerWaalsContact C-N 3.32Å; C25-S27 PolarHBondContact O-N 3.25Å; C25-S28 WeakPolarHBondContact O-CB 3.38Å; C25-S28 PolarHBondContact O-N 2.86Å; C25-S28 VanDerWaalsContact O-N 3.11Å; C25-V29 WeakPolarHBondContact O-CG2 3.41Å; C25-V29 PolarHBondContact O-N 2.8Å; C25-R53 PolarHBondContact SG-O 2.83Å
26A96.9Very high95.7Very high3 Ų373.2 Ų73.23%0.02535%0.352CS..Hα-helixtrans-59-40.9175.400000112.7S22 S23 S28 V29 C30 P54 F69 F70S22-A26 WeakPolarHBondContact O-CB 2.92Å; S22-A26 PolarHBondContact O-N 3.31Å; S23-A26 PolarHBondContact O-N 3.17Å; A26-S28 VanDerWaalsContact C-N 3.34Å; A26-V29 WeakPolarHBondContact O-CB 3.36Å; A26-V29 PolarHBondContact O-N 3.21Å; A26-C30 PolarHBondContact O-N 2.84Å; A26-C30 VanDerWaalsContact O-N 3.13Å; A26-C30 PolarHBondContact O-SG 3.45Å; A26-P54 HydrophobicContact CB-CG 3.69Å; A26-F69 HydrophobicContact CB-CB 3.66Å; A26-F69 HydrophobicContact CB-CG 4.17Å; A26-F70 HydrophobicContact CB-CD2 3.68Å; A26-F70 HydrophobicContact CB-CE2 3.87Å
27S96.9Very high95.9Very high50 Ų5073.4 Ų73.435%0.3536%0.357SS..Hα-helixtrans-64.1-40.2175.1-58.40000111.8S23 E24 C25 C30 R31S23-S27 WeakPolarHBondContact O-CB 3.41Å; S23-S27 PolarHBondContact O-N 2.98Å; S23-S27 PolarHBondContact O-OG 3.36Å; E24-S27 PolarHBondContact O-N 3.37Å; C25-S27 VanDerWaalsContact C-N 3.32Å; C25-S27 PolarHBondContact O-N 3.25Å; S27-C30 WeakPolarHBondContact O-CB 3.36Å; S27-C30 PolarHBondContact O-N 3.37Å; S27-R31 PolarHBondContact O-N 2.86Å; S27-R31 VanDerWaalsContact O-N 3.16Å
28S98.1Very high96.1Very high55 Ų5571.1 Ų71.139%0.38535%0.347SS..Hα-helixtrans-65.4-39.7176.6-58.30000111.7E24 C25 A26 C30 R31 V32E24-S28 WeakPolarHBondContact O-CB 3.5Å; E24-S28 PolarHBondContact O-N 2.86Å; E24-S28 PolarHBondContact O-OG 3.25Å; C25-S28 WeakPolarHBondContact O-CB 3.38Å; C25-S28 PolarHBondContact O-N 2.86Å; C25-S28 VanDerWaalsContact O-N 3.11Å; A26-S28 VanDerWaalsContact C-N 3.34Å; S28-C30 VanDerWaalsContact C-N 3.32Å; S28-C30 PolarHBondContact O-N 3.16Å; S28-R31 WeakPolarHBondContact O-CB 3.28Å; S28-R31 PolarHBondContact O-N 3.09Å; S28-V32 WeakPolarHBondContact O-CG2 3.49Å; S28-V32 PolarHBondContact O-N 3.43Å
29V97.9Very high96.5Very high10 Ų1070.7 Ų70.76%0.06135%0.348CS..Hα-helixtrans-57.2-45.7172166.10000111.6C25 A26 R31 V32 V33 V52 R53 N72C25-V29 WeakPolarHBondContact O-CG2 3.41Å; C25-V29 PolarHBondContact O-N 2.8Å; A26-V29 WeakPolarHBondContact O-CB 3.36Å; A26-V29 PolarHBondContact O-N 3.21Å; V29-R31 VanDerWaalsContact C-N 3.29Å; V29-R31 PolarHBondContact O-N 3.3Å; V29-V32 PolarHBondContact O-N 3.15Å; V29-V33 WeakPolarHBondContact O-CG2 3.28Å; V29-V33 PolarHBondContact O-N 3.38Å; V29-V52 HydrophobicContact CB-CB 4.27Å; V29-V52 HydrophobicContact CB-CG1 4.46Å; V29-V52 HydrophobicContact CG1-CB 3.63Å; V29-V52 HydrophobicContact CG1-CG1 4.01Å; V29-V52 HydrophobicContact CG1-CG2 3.79Å; V29-V52 HydrophobicContact CG2-CB 3.83Å; V29-V52 HydrophobicContact CG2-CG1 4.22Å; V29-R53 VanDerWaalsContact CG2-C 3.47Å; V29-R53 WeakPolarHBondContact CG2-O 3.23Å; V29-N72 HydrophobicContact CG1-CB 4.01Å; V29-N72 WeakPolarHBondContact CG1-ND2 3.39Å
30C97.6Very high96.7Very high15 Ų1564.9 Ų64.910%0.10134%0.337CS..Hα-helixtrans-58.4-44.4177.4-64.40000110.9A26 S27 S28 V32 V33 L34 I75A26-C30 PolarHBondContact O-N 2.84Å; A26-C30 VanDerWaalsContact O-N 3.13Å; A26-C30 PolarHBondContact O-SG 3.45Å; S27-C30 WeakPolarHBondContact O-CB 3.36Å; S27-C30 PolarHBondContact O-N 3.37Å; S28-C30 VanDerWaalsContact C-N 3.32Å; S28-C30 PolarHBondContact O-N 3.16Å; C30-V32 PolarHBondContact O-N 3.03Å; C30-V33 PolarHBondContact O-N 3.48Å; C30-L34 WeakPolarHBondContact O-CG 3.36Å; C30-L34 PolarHBondContact O-N 2.73Å; C30-I75 HydrophobicContact CB-CD1 4.5Å
31R98.2Very high96.9Very high183 Ų18358.4 Ų58.469%0.69132%0.318SS*.Hα-helixtrans-59.5-42.8176.6-66.8174.7177.3-168.3-1.7112.6S27 S28 V29 V33 L34 V35S27-R31 PolarHBondContact O-N 2.86Å; S27-R31 VanDerWaalsContact O-N 3.16Å; S28-R31 WeakPolarHBondContact O-CB 3.28Å; S28-R31 PolarHBondContact O-N 3.09Å; V29-R31 VanDerWaalsContact C-N 3.29Å; V29-R31 PolarHBondContact O-N 3.3Å; R31-V33 VanDerWaalsContact C-N 3.34Å; R31-L34 PolarHBondContact O-N 2.98Å; R31-V35 WeakPolarHBondContact O-CG2 3.3Å; R31-V35 PolarHBondContact O-N 2.72Å; R31-V35 VanDerWaalsContact O-N 3.13Å
32V98.4Very high97.1Very high67 Ų6754.5 Ų54.541%0.40631%0.307SS..Hα-helixtrans-60.2-45.8175.5173.70000110.6S28 V29 C30 L34 V35 V36 A50 V52S28-V32 WeakPolarHBondContact O-CG2 3.49Å; S28-V32 PolarHBondContact O-N 3.43Å; V29-V32 PolarHBondContact O-N 3.15Å; C30-V32 PolarHBondContact O-N 3.03Å; V32-L34 VanDerWaalsContact C-N 3.31Å; V32-L34 PolarHBondContact O-N 3.45Å; V32-V35 PolarHBondContact O-N 3.46Å; V32-V35 VanDerWaalsContact O-N 3.14Å; V32-V36 PolarHBondContact O-N 2.85Å; V32-A50 HydrophobicContact CG1-CB 3.94Å; V32-V52 HydrophobicContact CB-CG1 4.21Å; V32-V52 HydrophobicContact CG1-CG1 3.92Å
33V97.9Very high97.2Very high22 Ų2256.3 Ų56.313%0.13333%0.329CS..Hα-helixtrans-62-37.7177.9173.30000111.9V29 C30 R31 V35 V36 A37 A50 N72V29-V33 WeakPolarHBondContact O-CG2 3.28Å; V29-V33 PolarHBondContact O-N 3.38Å; C30-V33 PolarHBondContact O-N 3.48Å; R31-V33 VanDerWaalsContact C-N 3.34Å; V33-V35 VanDerWaalsContact C-N 3.34Å; V33-V35 PolarHBondContact O-N 3.37Å; V33-V36 PolarHBondContact O-N 2.96Å; V33-A37 WeakPolarHBondContact O-CB 3.36Å; V33-A37 PolarHBondContact O-N 2.92Å; V33-A50 HydrophobicContact CG2-CB 4.42Å; V33-N72 WeakPolarHBondContact CG1-O 3.44Å; V33-N72 HydrophobicContact CG2-CB 4.1Å
34L98Very high97.5Very high49 Ų4960.1 Ų60.126%0.25734%0.337SS..Hα-helixtrans-62.4-40174.3-61.5-170.5000112.4C30 R31 V32 R38 I75 F79C30-L34 WeakPolarHBondContact O-CG 3.36Å; C30-L34 PolarHBondContact O-N 2.73Å; R31-L34 PolarHBondContact O-N 2.98Å; V32-L34 VanDerWaalsContact C-N 3.31Å; V32-L34 PolarHBondContact O-N 3.45Å; L34-R38 VanDerWaalsContact O-CB 3.3Å; L34-R38 WeakPolarHBondContact O-CB 3.31Å; L34-R38 PolarHBondContact O-N 2.85Å; L34-I75 HydrophobicContact CD2-CG2 3.89Å; L34-F79 HydrophobicContact CB-CD1 4.37Å; L34-F79 HydrophobicContact CB-CE1 4.3Å; L34-F79 HydrophobicContact CD1-CD2 4.48Å; L34-F79 HydrophobicContact CD2-CB 3.56Å; L34-F79 HydrophobicContact CD2-CD1 3.74Å; L34-F79 HydrophobicContact CD2-CD2 4.08Å; L34-F79 HydrophobicContact CD2-CE1 4.43Å; L34-F79 HydrophobicContact CD2-CG 3.53Å
35V98.3Very high97.4Very high88 Ų8857.9 Ų57.953%0.53333%0.332SS..Hα-helixtrans-65.9-45.8177173.60000110.7R31 V32 V33 R38 V39R31-V35 WeakPolarHBondContact O-CG2 3.3Å; R31-V35 PolarHBondContact O-N 2.72Å; R31-V35 VanDerWaalsContact O-N 3.13Å; V32-V35 PolarHBondContact O-N 3.46Å; V32-V35 VanDerWaalsContact O-N 3.14Å; V33-V35 VanDerWaalsContact C-N 3.34Å; V33-V35 PolarHBondContact O-N 3.37Å; V35-R38 WeakPolarHBondContact O-CB 3.32Å; V35-R38 PolarHBondContact O-N 3.42Å; V35-V39 HydrophobicContact CG1-CG1 4.47Å; V35-V39 WeakPolarHBondContact O-CG2 3.23Å; V35-V39 PolarHBondContact O-N 3.48Å
36V98Very high97.4Very high31 Ų3160.7 Ų60.719%0.18836%0.359CS..Hα-helixtrans-60-47.2177167.30000111.1V32 V33 R38 V39 G40 S48 A50V32-V36 PolarHBondContact O-N 2.85Å; V33-V36 PolarHBondContact O-N 2.96Å; V36-R38 VanDerWaalsContact C-N 3.3Å; V36-R38 PolarHBondContact O-N 3.44Å; V36-V39 VanDerWaalsContact O-CG2 3.28Å; V36-V39 WeakPolarHBondContact O-CG2 3.34Å; V36-V39 PolarHBondContact O-N 3.04Å; V36-G40 PolarHBondContact O-N 3.21Å; V36-G40 VanDerWaalsContact O-N 3.15Å; V36-S48 WeakPolarHBondContact CG1-OG 3.48Å; V36-S48 PolarHBondContact O-OG 3.35Å; V36-S48 VanDerWaalsContact O-OG 3.14Å; V36-A50 HydrophobicContact CG2-CB 3.99Å
37A97.2Very high97.3Very high22 Ų2265.6 Ų65.618%0.18239%0.393CS..Hα-helixtrans-59.2-41.9174.700000112V33 V41 A80V33-A37 WeakPolarHBondContact O-CB 3.36Å; V33-A37 PolarHBondContact O-N 2.92Å; A37-V41 WeakPolarHBondContact O-CB 3.38Å; A37-V41 VanDerWaalsContact O-CG2 3.28Å; A37-V41 WeakPolarHBondContact O-CG2 3.48Å; A37-V41 PolarHBondContact O-N 2.85Å; A37-A80 HydrophobicContact CB-CB 4.47Å
38R98.1Very high97.3Very high98 Ų9865.6 Ų65.637%0.3739%0.393SS..Hα-helixtrans-62.1-53.6178.1-178.4-175.5-66.6-81.84.7112.4L34 V35 V36 G40 V41 E42 L84L34-R38 VanDerWaalsContact O-CB 3.3Å; L34-R38 WeakPolarHBondContact O-CB 3.31Å; L34-R38 PolarHBondContact O-N 2.85Å; V35-R38 WeakPolarHBondContact O-CB 3.32Å; V35-R38 PolarHBondContact O-N 3.42Å; V36-R38 VanDerWaalsContact C-N 3.3Å; V36-R38 PolarHBondContact O-N 3.44Å; R38-G40 PolarHBondContact O-N 2.89Å; R38-V41 PolarHBondContact O-N 3.23Å; R38-E42 WeakPolarHBondContact CD-OE1 3.3Å; R38-E42 HydrophobicContact CG-CG 4.08Å; R38-E42 WeakPolarHBondContact CG-OE1 3.16Å; R38-E42 IonicContact CZ-OE1 3.74Å; R38-E42 IonicContact NH1-OE1 2.84Å; R38-E42 PolarHBondContact NH1-OE1 2.82Å; R38-E42 VanDerWaalsContact O-CB 3.3Å; R38-E42 WeakPolarHBondContact O-CB 3.28Å; R38-E42 WeakPolarHBondContact O-CG 3.43Å; R38-E42 PolarHBondContact O-N 3.4Å; R38-L84 HydrophobicContact CB-CD1 4.31Å; R38-L84 HydrophobicContact CG-CD2 4.42Å
39V98Very high97.3Very high39 Ų3970.4 Ų70.424%0.23641%0.411CS..Hα-helixtrans-63.4-32.7-176.8-62.20000111.9V35 V36 G43 K44V35-V39 HydrophobicContact CG1-CG1 4.47Å; V35-V39 WeakPolarHBondContact O-CG2 3.23Å; V35-V39 PolarHBondContact O-N 3.48Å; V36-V39 VanDerWaalsContact O-CG2 3.28Å; V36-V39 WeakPolarHBondContact O-CG2 3.34Å; V36-V39 PolarHBondContact O-N 3.04Å; V39-G43 PolarHBondContact O-N 3.4Å; V39-K44 HydrophobicContact CB-CB 4.17Å; V39-K44 HydrophobicContact CG1-CD 4.23Å; V39-K44 PolarHBondContact O-N 2.94Å
40G96.8Very high97.3Very high36 Ų3671.4 Ų71.437%0.37142%0.421SS..Hα-helixtrans-67.7-49.7172.900000113V36 R38 G43V36-G40 PolarHBondContact O-N 3.21Å; V36-G40 VanDerWaalsContact O-N 3.15Å; R38-G40 PolarHBondContact O-N 2.89Å; G40-G43 PolarHBondContact O-N 3.5Å
41V96.9Very high97.3Very high54 Ų5478.4 Ų78.433%0.32746%0.456SS..Hα-helixtrans-69.5-35-179174.30000112.5A37 R38 G43 A80 L84 A85 A86A37-V41 WeakPolarHBondContact O-CB 3.38Å; A37-V41 VanDerWaalsContact O-CG2 3.28Å; A37-V41 WeakPolarHBondContact O-CG2 3.48Å; A37-V41 PolarHBondContact O-N 2.85Å; R38-V41 PolarHBondContact O-N 3.23Å; V41-G43 PolarHBondContact O-N 2.92Å; V41-A80 HydrophobicContact CG2-CB 4.11Å; V41-L84 HydrophobicContact CB-CB 4.31Å; V41-L84 HydrophobicContact CB-CD1 3.85Å; V41-L84 HydrophobicContact CG1-CB 3.71Å; V41-L84 HydrophobicContact CG1-CD1 4.2Å; V41-L84 HydrophobicContact CG2-CD1 3.96Å; V41-A85 HydrophobicContact CG1-CB 4.38Å; V41-A86 HydrophobicContact CG1-CB 4.29Å; V41-A86 HydrophobicContact CG2-CB 4.08Å
42E97.3Very high97.2Very high83 Ų8371.8 Ų71.839%0.38844%0.436SS..THydrogen-bonded Turntrans-77.2-2.8176.9-68.6174.9-17700112.8R38 K44R38-E42 WeakPolarHBondContact CD-OE1 3.3Å; R38-E42 HydrophobicContact CG-CG 4.08Å; R38-E42 WeakPolarHBondContact CG-OE1 3.16Å; R38-E42 IonicContact CZ-OE1 3.74Å; R38-E42 IonicContact NH1-OE1 2.84Å; R38-E42 PolarHBondContact NH1-OE1 2.82Å; R38-E42 VanDerWaalsContact O-CB 3.3Å; R38-E42 WeakPolarHBondContact O-CB 3.28Å; R38-E42 WeakPolarHBondContact O-CG 3.43Å; R38-E42 PolarHBondContact O-N 3.4Å; E42-K44 VanDerWaalsContact C-N 3.29Å; E42-K44 HydrophobicContact CB-CD 4.44Å; E42-K44 HydrophobicContact CB-CG 4.3Å; E42-K44 PolarHBondContact O-N 2.85Å; E42-K44 WeakPolarHBondContact OE2-CE 3.41Å; E42-K44 IonicContact OE2-NZ 3.83Å; E42-K44 PolarHBondContact OE2-NZ 2.9Å
43G96.5Very high97.1Very high59 Ų5978.1 Ų78.161%0.60845%0.452SS*.THydrogen-bonded Turntrans69.621.7177.900000114.5V39 G40 V41 C45V39-G43 PolarHBondContact O-N 3.4Å; G40-G43 PolarHBondContact O-N 3.5Å; V41-G43 PolarHBondContact O-N 2.92Å; G43-C45 PolarHBondContact O-N 2.97Å
44K97.2Very high97.1Very high146 Ų14678 Ų7864%0.63545%0.452SS*.SBendtrans-72.2-16179.1-72.1175.7170.7162.10113.2V39 E42V39-K44 HydrophobicContact CB-CB 4.17Å; V39-K44 HydrophobicContact CG1-CD 4.23Å; V39-K44 PolarHBondContact O-N 2.94Å; E42-K44 VanDerWaalsContact C-N 3.29Å; E42-K44 HydrophobicContact CB-CD 4.44Å; E42-K44 HydrophobicContact CB-CG 4.3Å; E42-K44 PolarHBondContact O-N 2.85Å; E42-K44 WeakPolarHBondContact OE2-CE 3.41Å; E42-K44 IonicContact OE2-NZ 3.83Å; E42-K44 PolarHBondContact OE2-NZ 2.9Å
45C95.3Very high97Very high47 Ų4778.4 Ų78.432%0.31846%0.458SS..SBendtrans-152.6152.1178.354.40000110G43 S47G43-C45 PolarHBondContact O-N 2.97Å; C45-S47 VanDerWaalsContact C-N 3.31Å; C45-S47 PolarHBondContact O-N 3.13Å; C45-S47 PolarHBondContact SG-O 3.26Å; C45-S47 VanDerWaalsContact SG-O 3.38Å
46A95.8Very high96.9Very high118 Ų11874.4 Ų74.498%0.97543%0.434SS*.SBendtrans-67-32.7176.400000112.8
47S96Very high96.8Very high105 Ų10573.7 Ų73.773%0.73443%0.429SS*.  trans-151.1157.6173.662.40000110.1C45C45-S47 VanDerWaalsContact C-N 3.31Å; C45-S47 PolarHBondContact O-N 3.13Å; C45-S47 PolarHBondContact SG-O 3.26Å; C45-S47 VanDerWaalsContact SG-O 3.38Å
48S96.5Very high96.7Very high50 Ų5073.4 Ų73.435%0.3542%0.424SS..  trans-143.7149.5176.954.60000110.2V36V36-S48 WeakPolarHBondContact CG1-OG 3.48Å; V36-S48 PolarHBondContact O-OG 3.35Å; V36-S48 VanDerWaalsContact O-OG 3.14Å
49M96.9Very high96.4Very high157 Ų15768.9 Ų68.977%0.77341%0.407SS*.  trans-139.8142.6-176-177.8178.6-73.800110.1L51M49-L51 HydrophobicContact CG-CD2 4.37Å; M49-L51 HydrophobicContact SD-CD2 4.02Å
50A97.6Very high96Very high31 Ų3170.3 Ų70.326%0.25641%0.413SS..  trans-113.4118.2174.200000110V32 V33 V36 V52V32-A50 HydrophobicContact CG1-CB 3.94Å; V33-A50 HydrophobicContact CG2-CB 4.42Å; V36-A50 HydrophobicContact CG2-CB 3.99Å; A50-V52 HydrophobicContact CB-CG1 3.91Å; A50-V52 HydrophobicContact CB-CG2 4.46Å
51L97.6Very high95.6Very high161 Ų16176.1 Ų76.184%0.84343%0.428SS*.  trans-9298.5170-58.7-178.6000108.6M49M49-L51 HydrophobicContact CG-CD2 4.37Å; M49-L51 HydrophobicContact SD-CD2 4.02Å
52V97.5Very high95.1Very high44 Ų4480.8 Ų80.827%0.26745%0.451SS..  trans-131.8149.4-166.2-70.20000113V29 V32 A50V29-V52 HydrophobicContact CB-CB 4.27Å; V29-V52 HydrophobicContact CB-CG1 4.46Å; V29-V52 HydrophobicContact CG1-CB 3.63Å; V29-V52 HydrophobicContact CG1-CG1 4.01Å; V29-V52 HydrophobicContact CG1-CG2 3.79Å; V29-V52 HydrophobicContact CG2-CB 3.83Å; V29-V52 HydrophobicContact CG2-CG1 4.22Å; V32-V52 HydrophobicContact CB-CG1 4.21Å; V32-V52 HydrophobicContact CG1-CG1 3.92Å; A50-V52 HydrophobicContact CB-CG1 3.91Å; A50-V52 HydrophobicContact CB-CG2 4.46Å
53R96.6Very high94.8Very high200 Ų20080.5 Ų80.576%0.75545%0.449SS*.SBendtrans-143.8141.3166.1-54.3-167.8-48.6160.34.8108.9C25 V29C25-R53 PolarHBondContact SG-O 2.83Å; V29-R53 VanDerWaalsContact CG2-C 3.47Å; V29-R53 WeakPolarHBondContact CG2-O 3.23Å
54P96.3Very high94.7Very high21 Ų2178.7 Ų78.714%0.13643%0.427CS..SBendcis-70.6163.52.829.2-35.2000114.2A26 F69A26-P54 HydrophobicContact CB-CG 3.69Å; P54-F69 HydrophobicContact CB-CD2 4.01Å; P54-F69 HydrophobicContact CG-CD2 3.83Å
55P97.4Very high94.5Very high57 Ų5772.9 Ų72.937%0.3740%0.403SS..  trans-67.2178.8171.631.2-36.1000111.7F67 C68P55-F67 HydrophobicContact CG-CB 3.99Å; P55-C68 WeakPolarHBondContact O-CA 3.4Å
56G95.7Very high94.4Very high3 Ų371.1 Ų71.13%0.03139%0.393CS..  trans-138.4-26-177.300000118.9H58 A59 C68 F70 N71 N72G56-H58 PolarHBondContact O-N 3.22Å; G56-A59 PolarHBondContact O-N 2.76Å; G56-C68 VanDerWaalsContact CA-SG 3.51Å; G56-C68 PolarHBondContact N-SG 2.99Å; G56-F70 WeakPolarHBondContact CA-O 3.28Å; G56-N71 VanDerWaalsContact O-CA 3.32Å; G56-N71 WeakPolarHBondContact O-CA 3.3Å; G56-N72 VanDerWaalsContact CA-OD1 3.32Å; G56-N72 WeakPolarHBondContact CA-OD1 3.32Å
57H95.1Very high94.4Very high16 Ų1670.6 Ų70.67%0.07437%0.369CS..THydrogen-bonded Turntrans-65-14.3-16672.8153.3000116.5D93 D95 L97 G99 G101 L102H57-D93 IonicContact CE1-OD2 2.69Å; H57-D93 IonicContact CG-OD2 3.92Å; H57-D93 IonicContact ND1-OD1 3.63Å; H57-D93 PolarHBondContact ND1-OD1 3.18Å; H57-D93 IonicContact ND1-OD2 2.97Å; H57-D93 PolarHBondContact ND1-OD2 3.13Å; H57-D95 WeakPolarHBondContact CE1-CB 3.44Å; H57-D95 IonicContact CE1-OD1 3.93Å; H57-D95 IonicContact CE1-OD2 3.43Å; H57-L97 PolarHBondContact CE1-O 3.02Å; H57-G99 WeakPolarHBondContact ND1-CA 3.47Å; H57-G99 CarbonylContact O-C 3.3Å; H57-G99 VanDerWaalsContact O-C 3.3Å; H57-G99 WeakPolarHBondContact O-CA 3.26Å; H57-G101 WeakPolarHBondContact O-CA 3.34Å; H57-G101 PolarHBondContact O-N 3.08Å; H57-L102 HydrophobicContact CB-CD1 3.7Å; H57-L102 HydrophobicContact CB-CD2 4.48Å; H57-L102 HydrophobicContact CB-CG 3.93Å
58H94.7Very high94.4Very high17 Ų1765.6 Ų65.68%0.07933%0.334CS..THydrogen-bonded Turntrans-88-21.9174.9-65.9-57.8000113.8G56 I60 N65 G66 C68 Y98 Q100G56-H58 PolarHBondContact O-N 3.22Å; H58-I60 PolarHBondContact O-N 2.98Å; H58-N65 HydrophobicContact CB-CB 4.32Å; H58-N65 VanDerWaalsContact CB-O 3.28Å; H58-N65 WeakPolarHBondContact CB-O 3.44Å; H58-G66 PolarHBondContact CD2-O 2.93Å; H58-C68 HydrophobicContact CB-CB 4.08Å; H58-C68 PolarHBondContact N-SG 3.29Å; H58-Y98 PolarHBondContact CE1-O 2.97Å; H58-Y98 PolarHBondContact ND1-O 2.92Å; H58-Q100 PolarHBondContact ND1-OE1 3.41Å; H58-Q100 PolarHBondContact O-NE2 3.3Å
59A93.6Very high94.3Very high2 Ų264.5 Ų64.52%0.01732%0.323CS..  trans-68.1129.8-175.700000111G56 C68 N71 G101G56-A59 PolarHBondContact O-N 2.76Å; A59-C68 HydrophobicContact CB-CB 3.78Å; A59-N71 HydrophobicContact CB-CB 4.19Å; A59-N71 WeakPolarHBondContact O-CB 3.43Å; A59-N71 PolarHBondContact O-ND2 3Å; A59-G101 VanDerWaalsContact O-CA 3.3Å; A59-G101 WeakPolarHBondContact O-CA 3.48Å
60I89.8Confident94.2Very high70 Ų7061 Ų6136%0.35930%0.304SS..BIsolated β-bridgetrans-109.4177.2176.157.5166.6000110H58 N62 E63 Q100H58-I60 PolarHBondContact O-N 2.98Å; I60-N62 PolarHBondContact O-N 3.5Å; I60-N62 VanDerWaalsContact O-N 3.13Å; I60-E63 HydrophobicContact CD1-CB 4Å; I60-E63 HydrophobicContact CG1-CB 3.63Å; I60-E63 PolarHBondContact N-O 3.02Å; I60-E63 VanDerWaalsContact N-O 3.17Å; I60-E63 PolarHBondContact O-N 3.11Å; I60-Q100 HydrophobicContact CG2-CG 4.33Å
61K87.1Confident94.1Very high158 Ų15859.8 Ų59.869%0.68729%0.293SS*.THydrogen-bonded Turntrans-60.2119.6177.2-173.5177.8-179.5-179.80109.9E63K61-E63 VanDerWaalsContact C-N 3.3Å; K61-E63 PolarHBondContact O-N 3.07Å
62N87.3Confident94Very high151 Ų15152.6 Ų52.681%0.80726%0.255SS*.THydrogen-bonded Turntrans67.615.5178.7-52.4-25.1000116I60I60-N62 PolarHBondContact O-N 3.5Å; I60-N62 VanDerWaalsContact O-N 3.13Å
63E91.3Very high93.9Very high77 Ų7753.2 Ų53.236%0.3626%0.259SS..BIsolated β-bridgetrans-143.2128178.2-164.2-170.6125.500111.4Y13 I60 K61 N65Y13-E63 HydrophobicContact CD1-CG 3.75Å; Y13-E63 HydrophobicContact CE1-CG 4.02Å; I60-E63 HydrophobicContact CD1-CB 4Å; I60-E63 HydrophobicContact CG1-CB 3.63Å; I60-E63 PolarHBondContact N-O 3.02Å; I60-E63 VanDerWaalsContact N-O 3.17Å; I60-E63 PolarHBondContact O-N 3.11Å; K61-E63 VanDerWaalsContact C-N 3.3Å; K61-E63 PolarHBondContact O-N 3.07Å; E63-N65 PolarHBondContact OE1-ND2 2.9Å
64S92.8Very high93.8Very high21 Ų2144.1 Ų44.115%0.14723%0.227CC..  trans-82.7139.6167.3-62.30000109.5Y13 C68 F69Y13-S64 WeakPolarHBondContact CB-O 2.99Å; Y13-S64 VanDerWaalsContact CD1-O 3.24Å; Y13-S64 WeakPolarHBondContact CD1-O 3.2Å; S64-C68 CarbonylContact C-O 3.6Å; S64-C68 VanDerWaalsContact CA-O 3.26Å; S64-C68 WeakPolarHBondContact CA-O 3.04Å; S64-C68 WeakPolarHBondContact CB-O 3.46Å; S64-F69 PolarHBondContact OG-O 3.37Å
65N93.5Very high93.8Very high25 Ų2545.5 Ų45.513%0.13423%0.233CC..BIsolated β-bridgetrans-153.2147.1-177.5-162.7-63.2000110.3H58 E63 F67 C68 Q100H58-N65 HydrophobicContact CB-CB 4.32Å; H58-N65 VanDerWaalsContact CB-O 3.28Å; H58-N65 WeakPolarHBondContact CB-O 3.44Å; E63-N65 PolarHBondContact OE1-ND2 2.9Å; N65-F67 PolarHBondContact O-N 2.95Å; N65-C68 PolarHBondContact N-O 3.39Å; N65-C68 VanDerWaalsContact N-O 3.08Å; N65-C68 WeakPolarHBondContact O-CA 3.4Å; N65-C68 WeakPolarHBondContact O-CB 3.39Å; N65-C68 PolarHBondContact O-N 3.18Å; N65-Q100 PolarHBondContact OD1-NE2 3.42Å
66G93.3Very high93.7Very high10 Ų1043 Ų4310%0.10322%0.218CC..THydrogen-bonded Turntrans54.251.1170.700000113.5D14 H58 C68D14-G66 PolarHBondContact O-N 3.14Å; H58-G66 PolarHBondContact CD2-O 2.93Å; G66-C68 PolarHBondContact O-N 3.44Å; G66-C68 PolarHBondContact O-SG 3.47Å
67F95.3Very high93.7Very high107 Ų10743.2 Ų43.247%0.46922%0.219SC..THydrogen-bonded Turntrans62.70.8-174.3-39.9-53.8000116S15 Y17 P55 N65S15-F67 WeakPolarHBondContact O-CD1 3.47Å; S15-F67 WeakPolarHBondContact O-CE1 3.48Å; S15-F67 PolarHBondContact O-N 3.38Å; Y17-F67 AromaticContact CD1-CD1 3.91Å; Y17-F67 HydrophobicContact CD1-CD1 3.91Å; Y17-F67 HydrophobicContact CD1-CE1 4.33Å; Y17-F67 AromaticContact CE1-CD1 3.89Å; Y17-F67 HydrophobicContact CE1-CD1 3.89Å; Y17-F67 HydrophobicContact CE1-CE1 4.47Å; P55-F67 HydrophobicContact CG-CB 3.99Å; N65-F67 PolarHBondContact O-N 2.95Å
68C96.1Very high93.6Very high0 Ų043.1 Ų43.10%022%0.22CC..BIsolated β-bridgetrans-94.7119.4-178.2-57.20000110.8P55 G56 H58 A59 S64 N65 G66P55-C68 WeakPolarHBondContact O-CA 3.4Å; G56-C68 VanDerWaalsContact CA-SG 3.51Å; G56-C68 PolarHBondContact N-SG 2.99Å; H58-C68 HydrophobicContact CB-CB 4.08Å; H58-C68 PolarHBondContact N-SG 3.29Å; A59-C68 HydrophobicContact CB-CB 3.78Å; S64-C68 CarbonylContact C-O 3.6Å; S64-C68 VanDerWaalsContact CA-O 3.26Å; S64-C68 WeakPolarHBondContact CA-O 3.04Å; S64-C68 WeakPolarHBondContact CB-O 3.46Å; N65-C68 PolarHBondContact N-O 3.39Å; N65-C68 VanDerWaalsContact N-O 3.08Å; N65-C68 WeakPolarHBondContact O-CA 3.4Å; N65-C68 WeakPolarHBondContact O-CB 3.39Å; N65-C68 PolarHBondContact O-N 3.18Å; G66-C68 PolarHBondContact O-N 3.44Å; G66-C68 PolarHBondContact O-SG 3.47Å
69F94.3Very high93.6Very high26 Ų2644 Ų4411%0.11422%0.223CC..SBendtrans-86.9-44.2175.1-74.2-99.4000112I16 Y17 Q18 A26 P54 S64I16-F69 HydrophobicContact CG2-CE1 4.45Å; I16-F69 HydrophobicContact CG2-CZ 4.2Å; Y17-F69 WeakPolarHBondContact O-CZ 3.36Å; Q18-F69 HydrophobicContact CB-CE1 3.91Å; Q18-F69 HydrophobicContact CB-CZ 3.66Å; A26-F69 HydrophobicContact CB-CB 3.66Å; A26-F69 HydrophobicContact CB-CG 4.17Å; P54-F69 HydrophobicContact CB-CD2 4.01Å; P54-F69 HydrophobicContact CG-CD2 3.83Å; S64-F69 PolarHBondContact OG-O 3.37Å
70F94.8Very high93.7Very high85 Ų8544 Ų4437%0.37322%0.224SC..SBendtrans-132.3144.1178.7-59.2-46.1000109.5A26 G56 N72 I75A26-F70 HydrophobicContact CB-CD2 3.68Å; A26-F70 HydrophobicContact CB-CE2 3.87Å; G56-F70 WeakPolarHBondContact CA-O 3.28Å; F70-N72 VanDerWaalsContact C-N 3.25Å; F70-N72 PolarHBondContact O-N 2.93Å; F70-I75 HydrophobicContact CB-CD1 4.07Å
71N95.1Very high94Very high5 Ų540.9 Ų40.93%0.02721%0.208CC..  trans-76.878.5177-172.3-14.8000110.8G56 A59 V73 G74 I75 G101 L102 L106G56-N71 VanDerWaalsContact O-CA 3.32Å; G56-N71 WeakPolarHBondContact O-CA 3.3Å; A59-N71 HydrophobicContact CB-CB 4.19Å; A59-N71 WeakPolarHBondContact O-CB 3.43Å; A59-N71 PolarHBondContact O-ND2 3Å; N71-V73 VanDerWaalsContact C-N 3.32Å; N71-V73 PolarHBondContact O-N 2.69Å; N71-G74 PolarHBondContact O-N 2.99Å; N71-G74 WeakPolarHBondContact OD1-CA 3.49Å; N71-G74 PolarHBondContact OD1-N 3.27Å; N71-I75 WeakPolarHBondContact O-CB 3.41Å; N71-I75 VanDerWaalsContact O-CG1 3.23Å; N71-I75 WeakPolarHBondContact O-CG1 3.23Å; N71-I75 PolarHBondContact O-N 3.13Å; N71-G101 VanDerWaalsContact ND2-C 3.27Å; N71-G101 PolarHBondContact ND2-O 3.31Å; N71-L102 WeakPolarHBondContact OD1-CD2 3.2Å; N71-L106 HydrophobicContact CB-CD1 4.19Å; N71-L106 HydrophobicContact CB-CD2 4.22Å
72N96.1Very high94.3Very high10 Ų1036 Ų365%0.05319%0.189CC..Hα-helixtrans-57.5-41.6-174.862.2-0.4000112.6V29 V33 G56 F70 I75 G76V29-N72 HydrophobicContact CG1-CB 4.01Å; V29-N72 WeakPolarHBondContact CG1-ND2 3.39Å; V33-N72 WeakPolarHBondContact CG1-O 3.44Å; V33-N72 HydrophobicContact CG2-CB 4.1Å; G56-N72 VanDerWaalsContact CA-OD1 3.32Å; G56-N72 WeakPolarHBondContact CA-OD1 3.32Å; F70-N72 VanDerWaalsContact C-N 3.25Å; F70-N72 PolarHBondContact O-N 2.93Å; N72-I75 PolarHBondContact O-N 3.28Å; N72-G76 PolarHBondContact O-N 3.17Å
73V96.3Very high94.6Very high57 Ų5735.5 Ų35.535%0.34518%0.182SC..Hα-helixtrans-64.6-48.4175.9174.90000110.8N71 I75 G76 A77 I91 L102N71-V73 VanDerWaalsContact C-N 3.32Å; N71-V73 PolarHBondContact O-N 2.69Å; V73-I75 VanDerWaalsContact C-N 3.35Å; V73-I75 PolarHBondContact O-N 3.31Å; V73-G76 PolarHBondContact O-N 3.31Å; V73-A77 WeakPolarHBondContact O-CB 3.41Å; V73-A77 PolarHBondContact O-N 2.99Å; V73-I91 HydrophobicContact CG1-CD1 4.08Å; V73-I91 HydrophobicContact CG1-CG1 4.27Å; V73-I91 HydrophobicContact CG1-CG2 3.84Å; V73-L102 HydrophobicContact CB-CD2 3.83Å; V73-L102 HydrophobicContact CG1-CD1 4.5Å; V73-L102 HydrophobicContact CG1-CD2 3.71Å
74G94.7Very high94.8Very high8 Ų833.1 Ų33.18%0.08217%0.171CC..Hα-helixtrans-62.2-39.6177.300000113N71 T78N71-G74 PolarHBondContact O-N 2.99Å; N71-G74 WeakPolarHBondContact OD1-CA 3.49Å; N71-G74 PolarHBondContact OD1-N 3.27Å; G74-T78 VanDerWaalsContact O-CB 3.28Å; G74-T78 WeakPolarHBondContact O-CB 3.33Å; G74-T78 PolarHBondContact O-N 3.43Å; G74-T78 PolarHBondContact O-OG1 3.41Å
75I95.2Very high94.9Very high50 Ų5036.4 Ų36.426%0.25620%0.199SC..Hα-helixtrans-62.4-48.6173.6-71.1167.3000110C30 L34 F70 N71 N72 V73 A77 T78 F79 L106C30-I75 HydrophobicContact CB-CD1 4.5Å; L34-I75 HydrophobicContact CD2-CG2 3.89Å; F70-I75 HydrophobicContact CB-CD1 4.07Å; N71-I75 WeakPolarHBondContact O-CB 3.41Å; N71-I75 VanDerWaalsContact O-CG1 3.23Å; N71-I75 WeakPolarHBondContact O-CG1 3.23Å; N71-I75 PolarHBondContact O-N 3.13Å; N72-I75 PolarHBondContact O-N 3.28Å; V73-I75 VanDerWaalsContact C-N 3.35Å; V73-I75 PolarHBondContact O-N 3.31Å; I75-A77 PolarHBondContact O-N 3.33Å; I75-T78 PolarHBondContact O-N 3.28Å; I75-F79 VanDerWaalsContact O-CB 3.23Å; I75-F79 WeakPolarHBondContact O-CB 3.32Å; I75-F79 PolarHBondContact O-N 2.97Å; I75-L106 HydrophobicContact CB-CD1 4.34Å; I75-L106 HydrophobicContact CD1-CD1 4.48Å; I75-L106 HydrophobicContact CG1-CD1 3.44Å; I75-L106 VanDerWaalsContact CG1-CD1 3.44Å
76G95.9Very high95Very high5 Ų535.9 Ų35.95%0.05220%0.199CC..Hα-helixtrans-59.8-46178.500000112.7N72 V73 F79 A80N72-G76 PolarHBondContact O-N 3.17Å; V73-G76 PolarHBondContact O-N 3.31Å; G76-F79 PolarHBondContact O-N 2.86Å; G76-A80 WeakPolarHBondContact O-CB 3.16Å; G76-A80 PolarHBondContact O-N 3.4Å
77A95.4Very high95.1Very high7 Ų743.9 Ų43.96%0.05823%0.231CC..Hα-helixtrans-64.1-46.9177.400000112V73 I75 F79 A80 L81 I89 I91 P112V73-A77 WeakPolarHBondContact O-CB 3.41Å; V73-A77 PolarHBondContact O-N 2.99Å; I75-A77 PolarHBondContact O-N 3.33Å; A77-F79 VanDerWaalsContact C-N 3.3Å; A77-F79 PolarHBondContact O-N 3.35Å; A77-A80 PolarHBondContact O-N 3.17Å; A77-L81 WeakPolarHBondContact O-CG 3.14Å; A77-L81 PolarHBondContact O-N 3.31Å; A77-I89 HydrophobicContact CB-CD1 4.22Å; A77-I89 HydrophobicContact CB-CG2 4.1Å; A77-I89 WeakPolarHBondContact O-CD1 3.5Å; A77-I91 HydrophobicContact CB-CD1 3.87Å; A77-I91 HydrophobicContact CB-CG1 4.35Å; A77-P112 HydrophobicContact CB-CB 4.27Å; A77-P112 HydrophobicContact CB-CG 4.12Å
78T93.6Very high95Very high15 Ų1549.3 Ų49.39%0.09225%0.248CC..Hα-helixtrans-61.4-41.4177.6-57.20000111.1G74 I75 L81 N82 T107G74-T78 VanDerWaalsContact O-CB 3.28Å; G74-T78 WeakPolarHBondContact O-CB 3.33Å; G74-T78 PolarHBondContact O-N 3.43Å; G74-T78 PolarHBondContact O-OG1 3.41Å; I75-T78 PolarHBondContact O-N 3.28Å; T78-L81 PolarHBondContact O-N 3.05Å; T78-N82 WeakPolarHBondContact CG2-ND2 3.4Å; T78-N82 VanDerWaalsContact O-CB 3.32Å; T78-N82 WeakPolarHBondContact O-CB 3.28Å; T78-N82 PolarHBondContact O-N 2.86Å; T78-N82 PolarHBondContact O-ND2 3.28Å; T78-T107 WeakPolarHBondContact CG2-OG1 3.35Å
79F95.2Very high95Very high34 Ų3451 Ų5115%0.14926%0.257CS..Hα-helixtrans-62.8-47.7176.5173.4-102.9000112.1L34 I75 G76 A77 L81 N82 H83 L84L34-F79 HydrophobicContact CB-CD1 4.37Å; L34-F79 HydrophobicContact CB-CE1 4.3Å; L34-F79 HydrophobicContact CD1-CD2 4.48Å; L34-F79 HydrophobicContact CD2-CB 3.56Å; L34-F79 HydrophobicContact CD2-CD1 3.74Å; L34-F79 HydrophobicContact CD2-CD2 4.08Å; L34-F79 HydrophobicContact CD2-CE1 4.43Å; L34-F79 HydrophobicContact CD2-CG 3.53Å; I75-F79 VanDerWaalsContact O-CB 3.23Å; I75-F79 WeakPolarHBondContact O-CB 3.32Å; I75-F79 PolarHBondContact O-N 2.97Å; G76-F79 PolarHBondContact O-N 2.86Å; A77-F79 VanDerWaalsContact C-N 3.3Å; A77-F79 PolarHBondContact O-N 3.35Å; F79-L81 VanDerWaalsContact C-N 3.34Å; F79-L81 PolarHBondContact O-N 3.38Å; F79-N82 PolarHBondContact O-N 3.34Å; F79-H83 HydrophobicContact CD2-CB 3.89Å; F79-H83 AromaticContact CD2-CD2 3.73Å; F79-H83 HydrophobicContact CE2-CB 3.8Å; F79-H83 HydrophobicContact CZ-CB 4.49Å; F79-H83 WeakPolarHBondContact O-CA 3.32Å; F79-H83 WeakPolarHBondContact O-CB 3.41Å; F79-H83 PolarHBondContact O-N 3.18Å; F79-L84 HydrophobicContact CD1-CD1 4.02Å; F79-L84 HydrophobicContact CD1-CG 4.17Å; F79-L84 HydrophobicContact CE1-CD1 3.72Å; F79-L84 HydrophobicContact CE1-CD2 3.81Å; F79-L84 HydrophobicContact CE1-CG 3.79Å; F79-L84 HydrophobicContact CZ-CD2 3.95Å; F79-L84 HydrophobicContact CZ-CG 4.3Å; F79-L84 PolarHBondContact O-N 2.99Å
80A95.6Very high95Very high4 Ų454.5 Ų54.53%0.03328%0.276CS..Hα-helixtrans-63.5-39.5179.300000112.4A37 V41 G76 A77 L84 A86 I89A37-A80 HydrophobicContact CB-CB 4.47Å; V41-A80 HydrophobicContact CG2-CB 4.11Å; G76-A80 WeakPolarHBondContact O-CB 3.16Å; G76-A80 PolarHBondContact O-N 3.4Å; A77-A80 PolarHBondContact O-N 3.17Å; A80-L84 HydrophobicContact CB-CD1 4.1Å; A80-L84 CarbonylContact O-C 3.53Å; A80-L84 WeakPolarHBondContact O-CB 3.43Å; A80-L84 PolarHBondContact O-N 2.96Å; A80-A86 HydrophobicContact CB-CB 4.2Å; A80-A86 VanDerWaalsContact O-CB 3.29Å; A80-A86 WeakPolarHBondContact O-CB 3.48Å; A80-I89 HydrophobicContact CB-CD1 3.48Å; A80-I89 VanDerWaalsContact CB-CD1 3.48Å
81L94.5Very high95.1Very high3 Ų351.1 Ų51.12%0.01626%0.262CS..Hα-helixtrans-63.7-56.8173-71.6166.7000110.4A77 T78 F79 I89 R110A77-L81 WeakPolarHBondContact O-CG 3.14Å; A77-L81 PolarHBondContact O-N 3.31Å; T78-L81 PolarHBondContact O-N 3.05Å; F79-L81 VanDerWaalsContact C-N 3.34Å; F79-L81 PolarHBondContact O-N 3.38Å; L81-I89 HydrophobicContact CD1-CD1 4.36Å; L81-I89 HydrophobicContact CD2-CB 4.5Å; L81-I89 HydrophobicContact CD2-CD1 4.15Å; L81-I89 HydrophobicContact CD2-CG1 3.9Å; L81-I89 HydrophobicContact CG-CD1 3.67Å; L81-I89 HydrophobicContact CG-CG1 3.96Å; L81-R110 VanDerWaalsContact C-NH2 3.34Å; L81-R110 HydrophobicContact CD1-CB 4.28Å; L81-R110 PolarHBondContact O-NH1 2.93Å; L81-R110 PolarHBondContact O-NH2 3.17Å
82N93.7Very high95.1Very high57 Ų5756.2 Ų56.231%0.30529%0.288SS..Hα-helixtrans-84-23.6-164.6-66.5-25.9000115.3T78 F79T78-N82 WeakPolarHBondContact CG2-ND2 3.4Å; T78-N82 VanDerWaalsContact O-CB 3.32Å; T78-N82 WeakPolarHBondContact O-CB 3.28Å; T78-N82 PolarHBondContact O-N 2.86Å; T78-N82 PolarHBondContact O-ND2 3.28Å; F79-N82 PolarHBondContact O-N 3.34Å
83H95Very high95Very high140 Ų14056.4 Ų56.465%0.64829%0.289SS*.Hα-helixtrans-125.6-7.8-172.5-59.1-66000114.2F79F79-H83 HydrophobicContact CD2-CB 3.89Å; F79-H83 AromaticContact CD2-CD2 3.73Å; F79-H83 HydrophobicContact CE2-CB 3.8Å; F79-H83 HydrophobicContact CZ-CB 4.49Å; F79-H83 WeakPolarHBondContact O-CA 3.32Å; F79-H83 WeakPolarHBondContact O-CB 3.41Å; F79-H83 PolarHBondContact O-N 3.18Å
84L95.3Very high94.9Very high27 Ų2758.4 Ų58.414%0.14131%0.305CS..SBendtrans-118.3-178.6173.6-49179.2000110.3R38 V41 F79 A80 A86R38-L84 HydrophobicContact CB-CD1 4.31Å; R38-L84 HydrophobicContact CG-CD2 4.42Å; V41-L84 HydrophobicContact CB-CB 4.31Å; V41-L84 HydrophobicContact CB-CD1 3.85Å; V41-L84 HydrophobicContact CG1-CB 3.71Å; V41-L84 HydrophobicContact CG1-CD1 4.2Å; V41-L84 HydrophobicContact CG2-CD1 3.96Å; F79-L84 HydrophobicContact CD1-CD1 4.02Å; F79-L84 HydrophobicContact CD1-CG 4.17Å; F79-L84 HydrophobicContact CE1-CD1 3.72Å; F79-L84 HydrophobicContact CE1-CD2 3.81Å; F79-L84 HydrophobicContact CE1-CG 3.79Å; F79-L84 HydrophobicContact CZ-CD2 3.95Å; F79-L84 HydrophobicContact CZ-CG 4.3Å; F79-L84 PolarHBondContact O-N 2.99Å; A80-L84 HydrophobicContact CB-CD1 4.1Å; A80-L84 CarbonylContact O-C 3.53Å; A80-L84 WeakPolarHBondContact O-CB 3.43Å; A80-L84 PolarHBondContact O-N 2.96Å; L84-A86 PolarHBondContact O-N 3.42Å
85A95.2Very high94.9Very high89 Ų8961.2 Ų61.274%0.73632%0.318SS*.SBendtrans-78.89.5-179.100000114.3V41 K87V41-A85 HydrophobicContact CG1-CB 4.38Å; A85-K87 PolarHBondContact O-N 3.37Å
86A95.4Very high94.7Very high14 Ų1464.6 Ų64.612%0.11634%0.341CS..  trans-71.7121.9-177.500000111V41 A80 L84 I89 R110V41-A86 HydrophobicContact CG1-CB 4.29Å; V41-A86 HydrophobicContact CG2-CB 4.08Å; A80-A86 HydrophobicContact CB-CB 4.2Å; A80-A86 VanDerWaalsContact O-CB 3.29Å; A80-A86 WeakPolarHBondContact O-CB 3.48Å; L84-A86 PolarHBondContact O-N 3.42Å; A86-I89 HydrophobicContact CB-CD1 4.32Å; A86-I89 HydrophobicContact CB-CG1 4.25Å; A86-R110 PolarHBondContact O-NH1 3.11Å
87K94Very high94.4Very high179 Ų17968.8 Ų68.878%0.77836%0.362SS*.SBendtrans-86.6-36.2178.6-64.6-175.7-179.9179.60112.8A85A85-K87 PolarHBondContact O-N 3.37Å
88R94.6Very high94.1Very high221 Ų22170.4 Ų70.483%0.83437%0.367SS*.  trans-142.1146.7179.9-67.9-173.7-67.2-90.72.3109
89I95.2Very high94Very high36 Ų3669.8 Ų69.819%0.18536%0.363CS..  trans-133.1134.5175.9-64.2-173.9000107.9A77 A80 L81 A86 I91 P112 L113A77-I89 HydrophobicContact CB-CD1 4.22Å; A77-I89 HydrophobicContact CB-CG2 4.1Å; A77-I89 WeakPolarHBondContact O-CD1 3.5Å; A80-I89 HydrophobicContact CB-CD1 3.48Å; A80-I89 VanDerWaalsContact CB-CD1 3.48Å; L81-I89 HydrophobicContact CD1-CD1 4.36Å; L81-I89 HydrophobicContact CD2-CB 4.5Å; L81-I89 HydrophobicContact CD2-CD1 4.15Å; L81-I89 HydrophobicContact CD2-CG1 3.9Å; L81-I89 HydrophobicContact CG-CD1 3.67Å; L81-I89 HydrophobicContact CG-CG1 3.96Å; A86-I89 HydrophobicContact CB-CD1 4.32Å; A86-I89 HydrophobicContact CB-CG1 4.25Å; I89-I91 HydrophobicContact CG2-CG1 4.28Å; I89-P112 HydrophobicContact CB-CB 4.05Å; I89-P112 HydrophobicContact CG2-CB 3.96Å; I89-P112 CarbonylContact O-C 3.59Å; I89-P112 WeakPolarHBondContact O-CA 3.28Å; I89-L113 PolarHBondContact O-N 3.28Å
90L95.2Very high93.8Very high99 Ų9971 Ų7152%0.51837%0.369SS..EExtended strand (participates in β ladder)trans-107.1126.2166.1172.663.7000107.6I92 L113 F115L90-I92 HydrophobicContact CD2-CD1 4.03Å; L90-I92 HydrophobicContact CD2-CG1 3.97Å; L90-I92 HydrophobicContact CG-CD1 4.49Å; L90-I92 HydrophobicContact CG-CG1 3.93Å; L90-L113 CarbonylContact C-O 3.58Å; L90-L113 WeakPolarHBondContact CA-O 3.36Å; L90-L113 HydrophobicContact CD1-CB 4.12Å; L90-L113 HydrophobicContact CD1-CD2 4.07Å; L90-L113 HydrophobicContact CD1-CG 3.97Å; L90-F115 HydrophobicContact CD1-CB 4.45Å
91I95.5Very high93.6Very high14 Ų1470.9 Ų70.97%0.07237%0.369CS..EExtended strand (participates in β ladder)trans-98.8123.3168.1-63.3170.5000107.1V73 A77 I89 L102 P112 L113 L114 F115V73-I91 HydrophobicContact CG1-CD1 4.08Å; V73-I91 HydrophobicContact CG1-CG1 4.27Å; V73-I91 HydrophobicContact CG1-CG2 3.84Å; A77-I91 HydrophobicContact CB-CD1 3.87Å; A77-I91 HydrophobicContact CB-CG1 4.35Å; I89-I91 HydrophobicContact CG2-CG1 4.28Å; I91-L102 HydrophobicContact CD1-CD2 4.46Å; I91-L102 HydrophobicContact CG2-CD1 3.98Å; I91-P112 HydrophobicContact CD1-CB 3.67Å; I91-P112 HydrophobicContact CD1-CG 3.48Å; I91-P112 VanDerWaalsContact CD1-CG 3.48Å; I91-P112 HydrophobicContact CG1-CB 3.92Å; I91-P112 HydrophobicContact CG1-CG 4.29Å; I91-L113 PolarHBondContact N-O 2.94Å; I91-L114 HydrophobicContact CB-CD1 4.02Å; I91-L114 HydrophobicContact CG2-CD1 3.71Å; I91-F115 PolarHBondContact O-N 3.28Å
92I95.5Very high93.5Very high112 Ų11271.3 Ų71.357%0.57437%0.371SS*.EExtended strand (participates in β ladder)trans-107.6107.5170.8-58.6178.1000106L90 F115L90-I92 HydrophobicContact CD2-CD1 4.03Å; L90-I92 HydrophobicContact CD2-CG1 3.97Å; L90-I92 HydrophobicContact CG-CD1 4.49Å; L90-I92 HydrophobicContact CG-CG1 3.93Å; I92-F115 HydrophobicContact CG2-CD1 4.23Å
93D94.6Very high93.1Very high14 Ų1474.2 Ų74.28%0.07538%0.381CS..  trans-95.599.8173.2-171.51000108.9H57 D95 G99 L102 L114 F115 P117H57-D93 IonicContact CE1-OD2 2.69Å; H57-D93 IonicContact CG-OD2 3.92Å; H57-D93 IonicContact ND1-OD1 3.63Å; H57-D93 PolarHBondContact ND1-OD1 3.18Å; H57-D93 IonicContact ND1-OD2 2.97Å; H57-D93 PolarHBondContact ND1-OD2 3.13Å; D93-D95 VanDerWaalsContact OD1-CB 3.23Å; D93-D95 WeakPolarHBondContact OD1-CB 3.34Å; D93-D95 PolarHBondContact OD1-N 3.14Å; D93-D95 VanDerWaalsContact OD1-N 3.09Å; D93-G99 WeakPolarHBondContact OD2-CA 3.24Å; D93-L102 HydrophobicContact CB-CD1 3.83Å; D93-L102 WeakPolarHBondContact OD2-CD1 3.47Å; D93-L114 HydrophobicContact CB-CD1 4.35Å; D93-F115 PolarHBondContact N-O 2.93Å; D93-P117 WeakPolarHBondContact O-CD 3.4Å
94S93.9Very high92.2Very high99 Ų9975.6 Ų75.669%0.69239%0.385SS*.  trans-95.67.8177.6680000112.9
95D93.9Very high90.9Very high67 Ų6776.7 Ų76.736%0.35839%0.394SS..  trans-60.1155.5174.2-162.7-74.8000110H57 D93 L97 Q118H57-D95 WeakPolarHBondContact CE1-CB 3.44Å; H57-D95 IonicContact CE1-OD1 3.93Å; H57-D95 IonicContact CE1-OD2 3.43Å; D93-D95 VanDerWaalsContact OD1-CB 3.23Å; D93-D95 WeakPolarHBondContact OD1-CB 3.34Å; D93-D95 PolarHBondContact OD1-N 3.14Å; D93-D95 VanDerWaalsContact OD1-N 3.09Å; D95-L97 VanDerWaalsContact C-N 3.32Å; D95-L97 PolarHBondContact OD1-N 3.39Å; D95-Q118 PolarHBondContact O-NE2 2.96Å; D95-Q118 PolarHBondContact O-OE1 3.02Å
96V92.5Very high89.5Confident121 Ų12174.5 Ų74.573%0.73337%0.37SS*.SBendtrans-77.1-24179.5-63.90000112Q118V96-Q118 VanDerWaalsContact O-CG 3.31Å; V96-Q118 WeakPolarHBondContact O-CG 3.41Å; V96-Q118 PolarHBondContact O-NE2 3.27Å; V96-Q118 VanDerWaalsContact O-NE2 3.16Å
97L89.2Confident88.2Confident93 Ų9378 Ų7849%0.48739%0.39SS..SBendtrans-93147.2176.9-58.6177000110.6H57 D95 G99H57-L97 PolarHBondContact CE1-O 3.02Å; D95-L97 VanDerWaalsContact C-N 3.32Å; D95-L97 PolarHBondContact OD1-N 3.39Å; L97-G99 PolarHBondContact O-N 3.4Å
98Y89.2Confident86.9Confident41 Ų4171.7 Ų71.716%0.16138%0.375CS..  trans-70.7114.3178.9-180-127.7000111.5H58 Q100 K103 Q118 E119H58-Y98 PolarHBondContact CE1-O 2.97Å; H58-Y98 PolarHBondContact ND1-O 2.92Å; Y98-Q100 VanDerWaalsContact C-N 3.31Å; Y98-Q100 HydrophobicContact CD1-CB 4.01Å; Y98-Q100 HydrophobicContact CE1-CB 3.82Å; Y98-Q100 PolarHBondContact O-N 3.4Å; Y98-Q100 PolarHBondContact O-OE1 3.4Å; Y98-K103 WeakPolarHBondContact OH-CD 3.47Å; Y98-Q118 HydrophobicContact CD2-CB 3.95Å; Y98-Q118 HydrophobicContact CG-CB 4.33Å; Y98-E119 HydrophobicContact CE2-CB 3.9Å; Y98-E119 HydrophobicContact CE2-CG 4.34Å
99G91Very high85.9Confident2 Ų265.9 Ų65.92%0.02138%0.375CS..  trans-76.570175.800000113.5H57 D93 L97 G101 L102H57-G99 WeakPolarHBondContact ND1-CA 3.47Å; H57-G99 CarbonylContact O-C 3.3Å; H57-G99 VanDerWaalsContact O-C 3.3Å; H57-G99 WeakPolarHBondContact O-CA 3.26Å; D93-G99 WeakPolarHBondContact OD2-CA 3.24Å; L97-G99 PolarHBondContact O-N 3.4Å; G99-G101 PolarHBondContact O-N 2.99Å; G99-L102 WeakPolarHBondContact O-CB 3.42Å; G99-L102 PolarHBondContact O-N 3.38Å
100Q90.5Very high85.3Confident58 Ų5869.4 Ų69.427%0.27139%0.385SS..Hα-helixtrans-56.4-25.4-178.977.2-78.720.100113.7H58 I60 N65 Y98 L102 K103H58-Q100 PolarHBondContact ND1-OE1 3.41Å; H58-Q100 PolarHBondContact O-NE2 3.3Å; I60-Q100 HydrophobicContact CG2-CG 4.33Å; N65-Q100 PolarHBondContact OD1-NE2 3.42Å; Y98-Q100 VanDerWaalsContact C-N 3.31Å; Y98-Q100 HydrophobicContact CD1-CB 4.01Å; Y98-Q100 HydrophobicContact CE1-CB 3.82Å; Y98-Q100 PolarHBondContact O-N 3.4Å; Y98-Q100 PolarHBondContact O-OE1 3.4Å; Q100-L102 PolarHBondContact O-N 3.07Å; Q100-K103 PolarHBondContact O-N 2.9Å
101G91.7Very high84.8Confident2 Ų269.5 Ų69.52%0.02138%0.383CS..Hα-helixtrans-62.1-27.8174.500000113.6H57 A59 N71 G99H57-G101 WeakPolarHBondContact O-CA 3.34Å; H57-G101 PolarHBondContact O-N 3.08Å; A59-G101 VanDerWaalsContact O-CA 3.3Å; A59-G101 WeakPolarHBondContact O-CA 3.48Å; N71-G101 VanDerWaalsContact ND2-C 3.27Å; N71-G101 PolarHBondContact ND2-O 3.31Å; G99-G101 PolarHBondContact O-N 2.99Å
102L92.2Very high84.6Confident13 Ų1370 Ų707%0.06839%0.387CS..Hα-helixtrans-84.1-22-176.9-61.8175.7000113.8H57 N71 V73 I91 D93 G99 Q100 K104 L114H57-L102 HydrophobicContact CB-CD1 3.7Å; H57-L102 HydrophobicContact CB-CD2 4.48Å; H57-L102 HydrophobicContact CB-CG 3.93Å; N71-L102 WeakPolarHBondContact OD1-CD2 3.2Å; V73-L102 HydrophobicContact CB-CD2 3.83Å; V73-L102 HydrophobicContact CG1-CD1 4.5Å; V73-L102 HydrophobicContact CG1-CD2 3.71Å; I91-L102 HydrophobicContact CD1-CD2 4.46Å; I91-L102 HydrophobicContact CG2-CD1 3.98Å; D93-L102 HydrophobicContact CB-CD1 3.83Å; D93-L102 WeakPolarHBondContact OD2-CD1 3.47Å; G99-L102 WeakPolarHBondContact O-CB 3.42Å; G99-L102 PolarHBondContact O-N 3.38Å; Q100-L102 PolarHBondContact O-N 3.07Å; L102-K104 PolarHBondContact O-N 3.13Å; L102-L114 HydrophobicContact CB-CD1 3.91Å; L102-L114 HydrophobicContact CB-CD2 3.87Å; L102-L114 HydrophobicContact CD1-CD1 4.13Å
103K86.4Confident84.4Confident118 Ų11870.5 Ų70.551%0.51339%0.39SS..Hα-helixtrans-61.7-34.2-178.3-173.1175.2-165.81290112.4Y98 Q100 E119Y98-K103 WeakPolarHBondContact OH-CD 3.47Å; Q100-K103 PolarHBondContact O-N 2.9Å; K103-E119 WeakPolarHBondContact CE-OE1 3.44Å; K103-E119 IonicContact NZ-OE1 2.82Å; K103-E119 PolarHBondContact NZ-OE1 3.38Å
104K76Confident84.3Confident169 Ų16971.4 Ų71.474%0.73540%0.395SS*.SBendtrans-111.1119178.7-70.4-173.2179.8179.30110.2L102L102-K104 PolarHBondContact O-N 3.13Å
105P66.5Low84.2Confident50 Ų5071.7 Ų71.733%0.32538%0.384SS..  trans-60.9140.8174.721.8-28.8000110.5T107 H111P105-T107 VanDerWaalsContact C-N 3.35Å; P105-T107 PolarHBondContact O-N 3.36Å; P105-H111 HydrophobicContact CB-CB 4.28Å; P105-H111 WeakPolarHBondContact CB-ND1 3.05Å; P105-H111 HydrophobicContact CG-CB 3.98Å; P105-H111 WeakPolarHBondContact CG-CE1 3.06Å; P105-H111 VanDerWaalsContact CG-CG 3.42Å; P105-H111 WeakPolarHBondContact CG-ND1 3.43Å
106L66.2Low84.1Confident43 Ų4368.7 Ų68.723%0.22537%0.368CS..SBendtrans-63.8-40.5-176.3-65.8170.7000111.9N71 I75N71-L106 HydrophobicContact CB-CD1 4.19Å; N71-L106 HydrophobicContact CB-CD2 4.22Å; I75-L106 HydrophobicContact CB-CD1 4.34Å; I75-L106 HydrophobicContact CD1-CD1 4.48Å; I75-L106 HydrophobicContact CG1-CD1 3.44Å; I75-L106 VanDerWaalsContact CG1-CD1 3.44Å
107T68.4Low83.9Confident87 Ų8765.1 Ų65.153%0.53435%0.348SS..SBendtrans-156.9165.7-179.962.60000112.1T78 P105T78-T107 WeakPolarHBondContact CG2-OG1 3.35Å; P105-T107 VanDerWaalsContact C-N 3.35Å; P105-T107 PolarHBondContact O-N 3.36Å
108G67.8Low83.8Confident46 Ų4662.1 Ų62.147%0.47433%0.331SS..SBendtrans100.4173166.300000115.4H111G108-H111 PolarHBondContact O-CE1 3.16Å; G108-H111 PolarHBondContact O-NE2 3.44Å
109A72.2Confident83.1Confident100 Ų10063.4 Ų63.483%0.82634%0.339SS*.SBendtrans-94.9-19.7171.200000112.4
110R83.1Confident82.1Confident109 Ų10970 Ų7041%0.41137%0.373SS..  trans-94.8130.6174.1-71.7-171.8-70.4158-6.6109.1L81 A86L81-R110 VanDerWaalsContact C-NH2 3.34Å; L81-R110 HydrophobicContact CD1-CB 4.28Å; L81-R110 PolarHBondContact O-NH1 2.93Å; L81-R110 PolarHBondContact O-NH2 3.17Å; A86-R110 PolarHBondContact O-NH1 3.11Å
111H84.4Confident81.1Confident101 Ų10172.9 Ų72.947%0.46839%0.389SS..  trans-130.8138.4-174-56.2-47.5000109.9P105 G108P105-H111 HydrophobicContact CB-CB 4.28Å; P105-H111 WeakPolarHBondContact CB-ND1 3.05Å; P105-H111 HydrophobicContact CG-CB 3.98Å; P105-H111 WeakPolarHBondContact CG-CE1 3.06Å; P105-H111 VanDerWaalsContact CG-CG 3.42Å; P105-H111 WeakPolarHBondContact CG-ND1 3.43Å; G108-H111 PolarHBondContact O-CE1 3.16Å; G108-H111 PolarHBondContact O-NE2 3.44Å
112P90.9Very high79.4Confident25 Ų2574.5 Ų74.516%0.16241%0.405CS..  trans-66149.7173.129.5-33.8000110.1A77 I89 I91A77-P112 HydrophobicContact CB-CB 4.27Å; A77-P112 HydrophobicContact CB-CG 4.12Å; I89-P112 HydrophobicContact CB-CB 4.05Å; I89-P112 HydrophobicContact CG2-CB 3.96Å; I89-P112 CarbonylContact O-C 3.59Å; I89-P112 WeakPolarHBondContact O-CA 3.28Å; I91-P112 HydrophobicContact CD1-CB 3.67Å; I91-P112 HydrophobicContact CD1-CG 3.48Å; I91-P112 VanDerWaalsContact CD1-CG 3.48Å; I91-P112 HydrophobicContact CG1-CB 3.92Å; I91-P112 HydrophobicContact CG1-CG 4.29Å
113L91.6Very high77.8Confident122 Ų12278 Ų7864%0.63942%0.424SS*.EExtended strand (participates in β ladder)trans-75.6135.9164-178.561.9000108.1I89 L90 I91I89-L113 PolarHBondContact O-N 3.28Å; L90-L113 CarbonylContact C-O 3.58Å; L90-L113 WeakPolarHBondContact CA-O 3.36Å; L90-L113 HydrophobicContact CD1-CB 4.12Å; L90-L113 HydrophobicContact CD1-CD2 4.07Å; L90-L113 HydrophobicContact CD1-CG 3.97Å; I91-L113 PolarHBondContact N-O 2.94Å
114L92.2Very high76.4Confident33 Ų3377.2 Ų77.217%0.17343%0.425CS..EExtended strand (participates in β ladder)trans-108.4135.9176.717863.5000110I91 D93 L102I91-L114 HydrophobicContact CB-CD1 4.02Å; I91-L114 HydrophobicContact CG2-CD1 3.71Å; D93-L114 HydrophobicContact CB-CD1 4.35Å; L102-L114 HydrophobicContact CB-CD1 3.91Å; L102-L114 HydrophobicContact CB-CD2 3.87Å; L102-L114 HydrophobicContact CD1-CD1 4.13Å
115F92.9Very high75.4Confident106 Ų10671.2 Ų71.247%0.46540%0.404SS..EExtended strand (participates in β ladder)trans-124.3124.5162.1176.1-93.6000108.7L90 I91 I92 D93 P117 L120L90-F115 HydrophobicContact CD1-CB 4.45Å; I91-F115 PolarHBondContact O-N 3.28Å; I92-F115 HydrophobicContact CG2-CD1 4.23Å; D93-F115 PolarHBondContact N-O 2.93Å; F115-P117 HydrophobicContact CE1-CG 4.19Å; F115-L120 HydrophobicContact CE2-CD1 4.49Å
116S91.1Very high74.6Confident3 Ų372 Ų722%0.02141%0.414CS..  trans-140.5125.1173.7174.10000109.1Q118 E119S116-Q118 PolarHBondContact O-N 3.27Å; S116-Q118 PolarHBondContact OG-OE1 3.42Å; S116-E119 WeakPolarHBondContact O-CB 3.31Å; S116-E119 PolarHBondContact O-N 2.79Å
117P88.8Confident74Confident47 Ų4773.8 Ų73.831%0.30543%0.427SS..Hα-helixtrans-56.1-36176.3-25.835000112.9D93 F115 E119 L120 I121D93-P117 WeakPolarHBondContact O-CD 3.4Å; F115-P117 HydrophobicContact CE1-CG 4.19Å; P117-E119 PolarHBondContact O-N 3.15Å; P117-L120 WeakPolarHBondContact O-CB 3.34Å; P117-L120 PolarHBondContact O-N 3.23Å; P117-I121 PolarHBondContact O-N 3.47Å
118Q85.8Confident73.2Confident30 Ų3076 Ų7614%0.1443%0.431CS..Hα-helixtrans-69.6-23.7-179.4-67.471.61900112D95 V96 Y98 S116 L120 I121 G122D95-Q118 PolarHBondContact O-NE2 2.96Å; D95-Q118 PolarHBondContact O-OE1 3.02Å; V96-Q118 VanDerWaalsContact O-CG 3.31Å; V96-Q118 WeakPolarHBondContact O-CG 3.41Å; V96-Q118 PolarHBondContact O-NE2 3.27Å; V96-Q118 VanDerWaalsContact O-NE2 3.16Å; Y98-Q118 HydrophobicContact CD2-CB 3.95Å; Y98-Q118 HydrophobicContact CG-CB 4.33Å; S116-Q118 PolarHBondContact O-N 3.27Å; S116-Q118 PolarHBondContact OG-OE1 3.42Å; Q118-L120 PolarHBondContact O-N 3.36Å; Q118-I121 PolarHBondContact O-N 2.86Å; Q118-G122 PolarHBondContact O-N 3.39Å
119E75Confident72.2Confident68 Ų6880.6 Ų80.632%0.31844%0.438SS..Hα-helixtrans-64.8-31.8171.6-170.8159.1-15300111.7Y98 K103 S116 P117Y98-E119 HydrophobicContact CE2-CB 3.9Å; Y98-E119 HydrophobicContact CE2-CG 4.34Å; K103-E119 WeakPolarHBondContact CE-OE1 3.44Å; K103-E119 IonicContact NZ-OE1 2.82Å; K103-E119 PolarHBondContact NZ-OE1 3.38Å; S116-E119 WeakPolarHBondContact O-CB 3.31Å; S116-E119 PolarHBondContact O-N 2.79Å; P117-E119 PolarHBondContact O-N 3.15Å
120L70.2Confident70.9Confident140 Ų14084.2 Ų84.273%0.73343%0.43SS*.Hα-helixtrans-77.7-28.8178.4-60.1173000112.8F115 P117 Q118 G122F115-L120 HydrophobicContact CE2-CD1 4.49Å; P117-L120 WeakPolarHBondContact O-CB 3.34Å; P117-L120 PolarHBondContact O-N 3.23Å; Q118-L120 PolarHBondContact O-N 3.36Å; L120-G122 VanDerWaalsContact C-N 3.28Å
121I70.1Confident69.3Low119 Ų11981.2 Ų81.261%0.6142%0.424SS*.Hα-helixtrans-81.5-13.9-179.4-61.2168.1000111.1P117 Q118P117-I121 PolarHBondContact O-N 3.47Å; Q118-I121 PolarHBondContact O-N 2.86Å
122G56.2Low67.7Low35 Ų3583.1 Ų83.136%0.36143%0.427SS..  trans82.7163-175.100000112.3Q118 L120 L124Q118-G122 PolarHBondContact O-N 3.39Å; L120-G122 VanDerWaalsContact C-N 3.28Å; G122-L124 PolarHBondContact O-N 2.9Å
123D57.4Low65.4Low87 Ų8791.8 Ų91.847%0.46546%0.457SS..  trans-67.596.8-174.3-175.913.3000112.3S125 A126D123-S125 PolarHBondContact O-N 3.33Å; D123-S125 VanDerWaalsContact O-N 3.17Å; D123-S125 WeakPolarHBondContact OD1-CA 3.42Å; D123-S125 WeakPolarHBondContact OD1-CB 3.29Å; D123-S125 PolarHBondContact OD1-N 2.86Å; D123-S125 PolarHBondContact OD1-OG 2.86Å; D123-S125 PolarHBondContact OD2-OG 2.94Å; D123-A126 PolarHBondContact O-N 3.41Å
124L58.1Low63.1Low101 Ų10191 Ų9153%0.52945%0.45SS..THydrogen-bonded Turntrans-66.7-5.8170.9-66177.1000112.8G122 A126 V127 H128G122-L124 PolarHBondContact O-N 2.9Å; L124-A126 PolarHBondContact O-N 3.46Å; L124-V127 HydrophobicContact CD2-CG2 3.83Å; L124-V127 WeakPolarHBondContact O-CA 3.47Å; L124-V127 VanDerWaalsContact O-CB 3.28Å; L124-V127 WeakPolarHBondContact O-CB 3.48Å; L124-V127 PolarHBondContact O-N 3.32Å; L124-H128 PolarHBondContact O-N 3Å
125S54.2Low60.7Low44 Ų4497.6 Ų97.631%0.30847%0.473SS..Hα-helixtrans-60.3-27.5171.389.50000111.6D123 V127 H128 K129D123-S125 PolarHBondContact O-N 3.33Å; D123-S125 VanDerWaalsContact O-N 3.17Å; D123-S125 WeakPolarHBondContact OD1-CA 3.42Å; D123-S125 WeakPolarHBondContact OD1-CB 3.29Å; D123-S125 PolarHBondContact OD1-N 2.86Å; D123-S125 PolarHBondContact OD1-OG 2.86Å; D123-S125 PolarHBondContact OD2-OG 2.94Å; S125-V127 VanDerWaalsContact C-N 3.31Å; S125-V127 PolarHBondContact O-N 3.41Å; S125-H128 PolarHBondContact O-N 3.28Å; S125-K129 WeakPolarHBondContact O-CB 3.46Å; S125-K129 WeakPolarHBondContact O-CG 3.49Å; S125-K129 PolarHBondContact O-N 3.06Å
126A50.7Low58.5Low65 Ų6599.4 Ų99.454%0.53748%0.482SS..Hα-helixtrans-63.1-37.4170.200000112.1D123 L124 R130D123-A126 PolarHBondContact O-N 3.41Å; L124-A126 PolarHBondContact O-N 3.46Å; A126-R130 WeakPolarHBondContact O-CB 3.24Å; A126-R130 PolarHBondContact O-N 3.05Å; A126-R130 VanDerWaalsContact O-N 3.13Å
127V52.6Low56Low81 Ų81110.3 Ų110.349%0.49152%0.523SS..Hα-helixtrans-68.1-42.8174.5-177.50000110.1L124 S125 R130 T131L124-V127 HydrophobicContact CD2-CG2 3.83Å; L124-V127 WeakPolarHBondContact O-CA 3.47Å; L124-V127 VanDerWaalsContact O-CB 3.28Å; L124-V127 WeakPolarHBondContact O-CB 3.48Å; L124-V127 PolarHBondContact O-N 3.32Å; S125-V127 VanDerWaalsContact C-N 3.31Å; S125-V127 PolarHBondContact O-N 3.41Å; V127-R130 PolarHBondContact O-N 2.99Å; V127-T131 PolarHBondContact O-N 2.91Å; V127-T131 PolarHBondContact O-OG1 3.37Å
128H51.3Low53.9Low135 Ų135114.9 Ų114.963%0.62554%0.54SS*.Hα-helixtrans-68.1-35.3178.4-116.188.1000113.7L124 S125 R130 T131 R132L124-H128 PolarHBondContact O-N 3Å; S125-H128 PolarHBondContact O-N 3.28Å; H128-R130 VanDerWaalsContact C-N 3.34Å; H128-T131 WeakPolarHBondContact CA-OG1 3.49Å; H128-T131 PolarHBondContact O-OG1 2.89Å; H128-R132 PolarHBondContact O-N 3.34Å
129K48.7Very low51.9Low141 Ų141123.7 Ų123.761%0.61359%0.587SS**Hα-helixtrans-68.5-34.3173.1-76.5177.2-178.3171.80111.9S125 R133S125-K129 WeakPolarHBondContact O-CB 3.46Å; S125-K129 WeakPolarHBondContact O-CG 3.49Å; S125-K129 PolarHBondContact O-N 3.06Å; K129-R133 PolarHBondContact O-N 3.26Å
130R43.8Very low50.8Low176 Ų176126.5 Ų126.566%0.66460%0.601SS**Hα-helixtrans-69-44.2176.1-169.2172.1-176.5164.42.3111.4A126 V127 H128 R133 E134A126-R130 WeakPolarHBondContact O-CB 3.24Å; A126-R130 PolarHBondContact O-N 3.05Å; A126-R130 VanDerWaalsContact O-N 3.13Å; V127-R130 PolarHBondContact O-N 2.99Å; H128-R130 VanDerWaalsContact C-N 3.34Å; R130-R133 PolarHBondContact O-N 3.22Å; R130-E134 IonicContact NE-OE1 3.76Å; R130-E134 PolarHBondContact O-N 2.96Å
131T50.4Low49.8Very low46 Ų46125.8 Ų125.828%0.28259%0.594SS.*Hα-helixtrans-64.9-42.7176.254.40000111.6V127 H128 R133 E134 W135V127-T131 PolarHBondContact O-N 2.91Å; V127-T131 PolarHBondContact O-OG1 3.37Å; H128-T131 WeakPolarHBondContact CA-OG1 3.49Å; H128-T131 PolarHBondContact O-OG1 2.89Å; T131-R133 PolarHBondContact O-N 3.42Å; T131-R133 VanDerWaalsContact O-N 3.17Å; T131-E134 PolarHBondContact O-N 3.09Å; T131-W135 PolarHBondContact O-N 3.24Å
132R49.3Very low48.6Very low142 Ų142126.2 Ų126.254%0.53659%0.593SS.*Hα-helixtrans-57.6-32.5176-101.1-162.9-166.3-16813.7114.2D14 H128 H136D14-R132 IonicContact OD1-NH2 3.64Å; H128-R132 PolarHBondContact O-N 3.34Å; R132-H136 PolarHBondContact O-CD2 2.79Å; R132-H136 PolarHBondContact O-N 2.82Å
133R42.2Very low48.2Very low207 Ų207131.5 Ų131.578%0.78161%0.607SS**Hα-helixtrans-73-30.9174.6-80.7-173.9170.8-172.3-2.3112.9K129 R130 T131K129-R133 PolarHBondContact O-N 3.26Å; R130-R133 PolarHBondContact O-N 3.22Å; T131-R133 PolarHBondContact O-N 3.42Å; T131-R133 VanDerWaalsContact O-N 3.17Å
134E43.4Very low47.6Very low106 Ų106134.3 Ų134.350%0.49562%0.616SS.*Hα-helixtrans-81.1-35.3179.9-71172-178.600112R130 T131R130-E134 IonicContact NE-OE1 3.76Å; R130-E134 PolarHBondContact O-N 2.96Å; T131-E134 PolarHBondContact O-N 3.09Å
135W43.8Very low46.9Very low171 Ų171136.5 Ų136.565%0.64862%0.621SS**Hα-helixtrans-78.3-22.9179.1-71.797.9000114.3T131 W137 Q138T131-W135 PolarHBondContact O-N 3.24Å; W135-W137 PolarHBondContact O-N 2.73Å; W135-Q138 PolarHBondContact O-N 3.15Å
136H46Very low46.4Very low144 Ų144143.1 Ų143.167%0.66764%0.644SS**THydrogen-bonded Turntrans-74.1-4.1176-98.3-66.7000114.6R132R132-H136 PolarHBondContact O-CD2 2.79Å; R132-H136 PolarHBondContact O-N 2.82Å
137W38.5Very low46.1Very low232 Ų232149.2 Ų149.288%0.87965%0.652SS**THydrogen-bonded Turntrans-112.35.8174.3-70.1109.8000113.9W135W135-W137 PolarHBondContact O-N 2.73Å
138Q44.9Very low45.5Very low142 Ų142154.8 Ų154.866%0.66467%0.665SS**  trans-119.911.1-176-71.7-172.1-16.400114.9W135W135-Q138 PolarHBondContact O-N 3.15Å
139L44.1Very low45Very low216 Ų216156.6 Ų156.6100%1.13167%0.669SS**  trans-132.90168.7-68.9174.7000109.5

Retrieved 139 of 139 residues in 137.3 ms (Link to these results)

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