A0A077YZU8_TRITR Loading...

RGS domain containing protein

AlphaFold DB , UniProt , Accession A0A077YZU8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 133 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
1M57Low74.3Confident198 Ų19885 Ų8598%0.97540%0.404SS*.  0-33.20-153.8177.8-85.900113.5
2E61.9Low75.5Confident118 Ų11883.8 Ų83.855%0.55140%0.402SS*.  trans-98.9-32.1178.8-63.5-164.8158.500114.7K5 R6E2-K5 PolarHBondContact O-N 2.7Å; E2-R6 VanDerWaalsContact O-CG 3.28Å; E2-R6 WeakPolarHBondContact O-CG 3.49Å; E2-R6 PolarHBondContact O-N 3.39Å; E2-R6 IonicContact OE2-CZ 3.12Å; E2-R6 IonicContact OE2-NE 2.88Å; E2-R6 IonicContact OE2-NH2 3.72Å; E2-R6 PolarHBondContact OE2-NH2 3.37Å
3D68.8Low76.3Confident68 Ų6881.2 Ų81.236%0.36440%0.396SS..Hα-helixtrans-67.7-44.8-169.7-56-53.6000113.2K5 R6 W7D3-K5 VanDerWaalsContact C-N 3.29Å; D3-K5 PolarHBondContact O-N 2.71Å; D3-R6 CarbonylContact O-C 3.04Å; D3-R6 WeakPolarHBondContact O-CA 3.38Å; D3-R6 WeakPolarHBondContact O-CB 3.23Å; D3-R6 PolarHBondContact O-N 2.8Å; D3-W7 HydrophobicContact CB-CZ2 3.99Å; D3-W7 PolarHBondContact O-N 2.85Å
4V69.6Low77.2Confident22 Ų2275.4 Ų75.413%0.13337%0.368CS..Hα-helixtrans-61-39.3177-175.50000111R6 W7 S8 F122 R126V4-R6 VanDerWaalsContact C-N 3.34Å; V4-R6 PolarHBondContact O-N 2.74Å; V4-W7 HydrophobicContact CG2-CE3 4.26Å; V4-W7 HydrophobicContact CG2-CZ3 4.09Å; V4-W7 PolarHBondContact O-N 3.11Å; V4-S8 PolarHBondContact O-N 3.27Å; V4-S8 VanDerWaalsContact O-N 3.15Å; V4-F122 HydrophobicContact CG1-CE1 4.23Å; V4-F122 HydrophobicContact CG1-CE2 3.84Å; V4-F122 HydrophobicContact CG1-CZ 3.61Å; V4-F122 VanDerWaalsContact O-CZ 3.28Å; V4-F122 WeakPolarHBondContact O-CZ 3.35Å; V4-R126 HydrophobicContact CG1-CG 3.64Å
5K72.4Confident78.1Confident138 Ų13870.5 Ų70.560%0.634%0.344SS*.Hα-helixtrans-65.9-38.4174.6-70.6-179.5-179.4173.60111.3E2 D3 S8 K9E2-K5 PolarHBondContact O-N 2.7Å; D3-K5 VanDerWaalsContact C-N 3.29Å; D3-K5 PolarHBondContact O-N 2.71Å; K5-S8 PolarHBondContact O-N 3.36Å; K5-S8 PolarHBondContact O-OG 3.43Å; K5-K9 WeakPolarHBondContact O-CG 3.37Å; K5-K9 PolarHBondContact O-N 3.14Å
6R77.6Confident78.6Confident125 Ų12574.6 Ų74.647%0.47237%0.368SS..Hα-helixtrans-66.6-40.4175.8-69170.9-176-152.63.9111.6E2 D3 V4 S8 K9 S10 C13E2-R6 VanDerWaalsContact O-CG 3.28Å; E2-R6 WeakPolarHBondContact O-CG 3.49Å; E2-R6 PolarHBondContact O-N 3.39Å; E2-R6 IonicContact OE2-CZ 3.12Å; E2-R6 IonicContact OE2-NE 2.88Å; E2-R6 IonicContact OE2-NH2 3.72Å; E2-R6 PolarHBondContact OE2-NH2 3.37Å; D3-R6 CarbonylContact O-C 3.04Å; D3-R6 WeakPolarHBondContact O-CA 3.38Å; D3-R6 WeakPolarHBondContact O-CB 3.23Å; D3-R6 PolarHBondContact O-N 2.8Å; V4-R6 VanDerWaalsContact C-N 3.34Å; V4-R6 PolarHBondContact O-N 2.74Å; R6-S8 PolarHBondContact O-N 3.06Å; R6-K9 PolarHBondContact O-N 3.03Å; R6-S10 PolarHBondContact O-N 3.41Å; R6-C13 HydrophobicContact CB-CB 4.01Å
7W78.9Confident79.1Confident10 Ų1074.1 Ų74.14%0.03837%0.365CS..Hα-helixtrans-62-31175.4-60.3-11000112.8D3 V4 K9 C13 L14 H17 V19 M23 Y113 F122D3-W7 HydrophobicContact CB-CZ2 3.99Å; D3-W7 PolarHBondContact O-N 2.85Å; V4-W7 HydrophobicContact CG2-CE3 4.26Å; V4-W7 HydrophobicContact CG2-CZ3 4.09Å; V4-W7 PolarHBondContact O-N 3.11Å; W7-K9 VanDerWaalsContact C-N 3.27Å; W7-K9 PolarHBondContact O-N 3.27Å; W7-C13 VanDerWaalsContact CD1-O 3.29Å; W7-C13 PolarHBondContact NE1-O 2.87Å; W7-L14 HydrophobicContact CB-CB 4.17Å; W7-L14 HydrophobicContact CB-CD1 3.87Å; W7-L14 HydrophobicContact CD2-CD1 3.82Å; W7-L14 HydrophobicContact CE3-CD1 3.97Å; W7-L14 HydrophobicContact CG-CB 4.23Å; W7-L14 HydrophobicContact CG-CD1 3.77Å; W7-H17 HydrophobicContact CZ2-CB 4Å; W7-H17 AromaticContact CZ2-CG 3.67Å; W7-H17 AromaticContact CZ2-ND1 3.49Å; W7-H17 WeakPolarHBondContact CZ2-ND1 3.33Å; W7-H17 AromaticContact NE1-CG 3.96Å; W7-V19 HydrophobicContact CH2-CB 4.04Å; W7-V19 HydrophobicContact CH2-CG1 3.88Å; W7-V19 HydrophobicContact CZ2-CB 4.43Å; W7-M23 HydrophobicContact CH2-SD 4.21Å; W7-M23 HydrophobicContact CZ3-SD 3.66Å; W7-Y113 VanDerWaalsContact O-CE2 3.28Å; W7-Y113 WeakPolarHBondContact O-CE2 3.47Å; W7-Y113 PolarHBondContact O-OH 3.21Å; W7-F122 HydrophobicContact CB-CE2 4.14Å; W7-F122 HydrophobicContact CB-CZ 4.42Å; W7-F122 HydrophobicContact CE3-CE2 4.38Å
8S76.4Confident79.4Confident44 Ų4480.1 Ų80.131%0.30839%0.388SS..Hα-helixtrans-73.1-19.7173.370.30000114.1V4 K5 R6 Y113V4-S8 PolarHBondContact O-N 3.27Å; V4-S8 VanDerWaalsContact O-N 3.15Å; K5-S8 PolarHBondContact O-N 3.36Å; K5-S8 PolarHBondContact O-OG 3.43Å; R6-S8 PolarHBondContact O-N 3.06Å; S8-Y113 VanDerWaalsContact C-OH 3.28Å; S8-Y113 PolarHBondContact O-OH 3.32Å
9K79Confident79.7Confident181 Ų18179.4 Ų79.479%0.78739%0.389SS*.Hα-helixtrans-98.1-27.5-175.4-70.8-177.4177.3-171.70113.1K5 R6 W7K5-K9 WeakPolarHBondContact O-CG 3.37Å; K5-K9 PolarHBondContact O-N 3.14Å; R6-K9 PolarHBondContact O-N 3.03Å; W7-K9 VanDerWaalsContact C-N 3.27Å; W7-K9 PolarHBondContact O-N 3.27Å
10S85.9Confident80.1Confident29 Ų2975.4 Ų75.420%0.20337%0.37CS..  trans-147.8125.1-176.31650000110.2R6 D12 C13 L14 Y113R6-S10 PolarHBondContact O-N 3.41Å; S10-D12 PolarHBondContact O-N 2.89Å; S10-D12 WeakPolarHBondContact OG-CB 3.1Å; S10-D12 PolarHBondContact OG-N 3.03Å; S10-D12 VanDerWaalsContact OG-N 3.12Å; S10-D12 PolarHBondContact OG-OD2 3.45Å; S10-C13 WeakPolarHBondContact O-CB 3.44Å; S10-C13 PolarHBondContact O-N 2.63Å; S10-C13 VanDerWaalsContact O-N 3.09Å; S10-C13 PolarHBondContact OG-N 3.31Å; S10-C13 VanDerWaalsContact OG-N 3.14Å; S10-L14 PolarHBondContact O-N 3.3Å; S10-Y113 PolarHBondContact N-OH 3.4Å
11F90Very high80.6Confident2 Ų273.3 Ų73.31%0.00936%0.359CS..Hα-helixtrans-59.3-35169.7-176.4-121.7000111.1C13 L14 M15 F24 Y105 M108 Q109 Y113F11-C13 VanDerWaalsContact C-N 3.32Å; F11-C13 PolarHBondContact O-N 3.33Å; F11-L14 HydrophobicContact CD2-CD2 4.09Å; F11-L14 HydrophobicContact CE2-CD2 4.26Å; F11-L14 WeakPolarHBondContact O-CB 3.43Å; F11-L14 PolarHBondContact O-N 3.1Å; F11-L14 VanDerWaalsContact O-N 3.11Å; F11-M15 HydrophobicContact CD1-CG 4.09Å; F11-M15 HydrophobicContact CD2-CG 3.98Å; F11-M15 HydrophobicContact CE1-CG 3.69Å; F11-M15 HydrophobicContact CE2-CG 3.56Å; F11-M15 HydrophobicContact CE2-SD 3.87Å; F11-M15 HydrophobicContact CG-CG 4.24Å; F11-M15 HydrophobicContact CZ-CG 3.4Å; F11-M15 VanDerWaalsContact CZ-CG 3.4Å; F11-M15 HydrophobicContact CZ-SD 3.74Å; F11-M15 WeakPolarHBondContact O-CB 3.36Å; F11-M15 WeakPolarHBondContact O-CG 3.3Å; F11-M15 PolarHBondContact O-N 3.28Å; F11-F24 HydrophobicContact CE2-CD1 4.16Å; F11-F24 AromaticContact CE2-CE1 3.59Å; F11-F24 HydrophobicContact CE2-CE1 3.59Å; F11-F24 AromaticContact CE2-CZ 3.82Å; F11-F24 HydrophobicContact CE2-CZ 3.82Å; F11-F24 AromaticContact CZ-CE1 3.96Å; F11-F24 HydrophobicContact CZ-CE1 3.96Å; F11-F24 HydrophobicContact CZ-CZ 4.41Å; F11-Y105 HydrophobicContact CD1-CD1 4.21Å; F11-Y105 HydrophobicContact CD1-CD2 4.31Å; F11-Y105 AromaticContact CD1-CE1 3.62Å; F11-Y105 HydrophobicContact CD1-CE1 3.62Å; F11-Y105 AromaticContact CD1-CE2 3.75Å; F11-Y105 HydrophobicContact CD1-CE2 3.75Å; F11-Y105 AromaticContact CD1-CZ 3.35Å; F11-Y105 HydrophobicContact CE1-CD1 4.04Å; F11-Y105 AromaticContact CE1-CD2 3.6Å; F11-Y105 HydrophobicContact CE1-CD2 3.6Å; F11-Y105 AromaticContact CE1-CE1 3.85Å; F11-Y105 HydrophobicContact CE1-CE1 3.85Å; F11-Y105 AromaticContact CE1-CE2 3.38Å; F11-Y105 HydrophobicContact CE1-CE2 3.38Å; F11-Y105 AromaticContact CE1-CG 3.94Å; F11-Y105 HydrophobicContact CE1-CG 3.94Å; F11-Y105 AromaticContact CE1-CZ 3.51Å; F11-Y105 WeakPolarHBondContact CE1-O 3.39Å; F11-Y105 HydrophobicContact CZ-CD2 4.46Å; F11-Y105 HydrophobicContact CZ-CE2 4.31Å; F11-M108 HydrophobicContact CE1-CB 4.25Å; F11-M108 HydrophobicContact CE2-CB 4.36Å; F11-M108 HydrophobicContact CZ-CB 3.62Å; F11-M108 HydrophobicContact CZ-CE 4.24Å; F11-Q109 HydrophobicContact CB-CB 4.46Å; F11-Q109 HydrophobicContact CB-CG 3.87Å; F11-Q109 HydrophobicContact CD1-CB 3.53Å; F11-Q109 HydrophobicContact CD1-CG 3.81Å; F11-Q109 HydrophobicContact CE1-CB 3.89Å; F11-Q109 HydrophobicContact CG-CB 4.05Å; F11-Q109 HydrophobicContact CG-CG 4.02Å; F11-Y113 HydrophobicContact CB-CD1 4.07Å; F11-Y113 HydrophobicContact CB-CD2 4.16Å; F11-Y113 HydrophobicContact CB-CE1 4.1Å; F11-Y113 HydrophobicContact CB-CE2 4.15Å; F11-Y113 HydrophobicContact CB-CG 4.09Å; F11-Y113 HydrophobicContact CD2-CD1 4.41Å; F11-Y113 AromaticContact CD2-CD2 3.44Å; F11-Y113 HydrophobicContact CD2-CD2 3.44Å; F11-Y113 VanDerWaalsContact CD2-CD2 3.44Å; F11-Y113 HydrophobicContact CD2-CE2 4.08Å; F11-Y113 AromaticContact CD2-CG 3.61Å; F11-Y113 HydrophobicContact CD2-CG 3.61Å; F11-Y113 HydrophobicContact CE2-CD2 4.28Å; F11-Y113 HydrophobicContact CE2-CG 4.4Å; F11-Y113 HydrophobicContact CG-CD2 4.24Å; F11-Y113 HydrophobicContact CG-CG 4.16Å; F11-Y113 PolarHBondContact N-OH 3.43Å
12D88.5Confident82.1Confident71 Ų7169 Ų6938%0.3834%0.336SS..Hα-helixtrans-62.1-39.2174.1-43-74.3000111.6S10 L14 M15 N16 Y105S10-D12 PolarHBondContact O-N 2.89Å; S10-D12 WeakPolarHBondContact OG-CB 3.1Å; S10-D12 PolarHBondContact OG-N 3.03Å; S10-D12 VanDerWaalsContact OG-N 3.12Å; S10-D12 PolarHBondContact OG-OD2 3.45Å; D12-L14 VanDerWaalsContact C-N 3.31Å; D12-L14 PolarHBondContact O-N 3.47Å; D12-M15 PolarHBondContact O-N 3.49Å; D12-N16 WeakPolarHBondContact O-CB 3.47Å; D12-N16 VanDerWaalsContact O-CG 3.26Å; D12-N16 PolarHBondContact O-N 3.01Å; D12-N16 PolarHBondContact O-ND2 3.26Å; D12-Y105 VanDerWaalsContact CA-OH 3.27Å; D12-Y105 WeakPolarHBondContact CA-OH 3.17Å; D12-Y105 PolarHBondContact N-OH 3.31Å; D12-Y105 PolarHBondContact OD1-OH 3.48Å
13C86.3Confident83.2Confident49 Ų4964.5 Ų64.533%0.33132%0.316SS..Hα-helixtrans-64.1-37.5174.4-70.50000112.3R6 W7 S10 F11R6-C13 HydrophobicContact CB-CB 4.01Å; W7-C13 VanDerWaalsContact CD1-O 3.29Å; W7-C13 PolarHBondContact NE1-O 2.87Å; S10-C13 WeakPolarHBondContact O-CB 3.44Å; S10-C13 PolarHBondContact O-N 2.63Å; S10-C13 VanDerWaalsContact O-N 3.09Å; S10-C13 PolarHBondContact OG-N 3.31Å; S10-C13 VanDerWaalsContact OG-N 3.14Å; F11-C13 VanDerWaalsContact C-N 3.32Å; F11-C13 PolarHBondContact O-N 3.33Å
14L88.5Confident84.3Confident0 Ų061.3 Ų61.30%030%0.299CS..Hα-helixtrans-65.8-50.5175.9-179.571.3000110.8W7 S10 F11 D12 N16 H17 G20 F24 Y113 F116W7-L14 HydrophobicContact CB-CB 4.17Å; W7-L14 HydrophobicContact CB-CD1 3.87Å; W7-L14 HydrophobicContact CD2-CD1 3.82Å; W7-L14 HydrophobicContact CE3-CD1 3.97Å; W7-L14 HydrophobicContact CG-CB 4.23Å; W7-L14 HydrophobicContact CG-CD1 3.77Å; S10-L14 PolarHBondContact O-N 3.3Å; F11-L14 HydrophobicContact CD2-CD2 4.09Å; F11-L14 HydrophobicContact CE2-CD2 4.26Å; F11-L14 WeakPolarHBondContact O-CB 3.43Å; F11-L14 PolarHBondContact O-N 3.1Å; F11-L14 VanDerWaalsContact O-N 3.11Å; D12-L14 VanDerWaalsContact C-N 3.31Å; D12-L14 PolarHBondContact O-N 3.47Å; L14-N16 VanDerWaalsContact C-N 3.33Å; L14-N16 PolarHBondContact O-N 3.24Å; L14-H17 PolarHBondContact O-N 3.36Å; L14-G20 VanDerWaalsContact CD1-CA 3.49Å; L14-G20 WeakPolarHBondContact CD1-O 3.48Å; L14-F24 HydrophobicContact CD2-CB 4Å; L14-F24 HydrophobicContact CD2-CD1 4.47Å; L14-F24 HydrophobicContact CD2-CD2 3.98Å; L14-F24 HydrophobicContact CD2-CG 3.91Å; L14-F24 HydrophobicContact CG-CB 4.48Å; L14-Y113 HydrophobicContact CD2-CD2 3.79Å; L14-Y113 HydrophobicContact CD2-CE2 3.99Å; L14-F116 HydrophobicContact CD1-CE1 3.7Å; L14-F116 HydrophobicContact CD1-CZ 4.3Å; L14-F116 HydrophobicContact CD2-CD1 3.85Å; L14-F116 HydrophobicContact CD2-CE1 3.74Å; L14-F116 HydrophobicContact CG-CE1 4.41Å
15M90.4Very high85.4Confident2 Ų260.9 Ų60.91%0.0130%0.297CS..Hα-helixtrans-72.7-22.2-176.6-68.8-59.6-66.400113.2F11 D12 H17 Q21 F24 I37 W40 Y105 M108F11-M15 HydrophobicContact CD1-CG 4.09Å; F11-M15 HydrophobicContact CD2-CG 3.98Å; F11-M15 HydrophobicContact CE1-CG 3.69Å; F11-M15 HydrophobicContact CE2-CG 3.56Å; F11-M15 HydrophobicContact CE2-SD 3.87Å; F11-M15 HydrophobicContact CG-CG 4.24Å; F11-M15 HydrophobicContact CZ-CG 3.4Å; F11-M15 VanDerWaalsContact CZ-CG 3.4Å; F11-M15 HydrophobicContact CZ-SD 3.74Å; F11-M15 WeakPolarHBondContact O-CB 3.36Å; F11-M15 WeakPolarHBondContact O-CG 3.3Å; F11-M15 PolarHBondContact O-N 3.28Å; D12-M15 PolarHBondContact O-N 3.49Å; M15-H17 VanDerWaalsContact C-N 3.29Å; M15-Q21 WeakPolarHBondContact O-CG 3.44Å; M15-Q21 PolarHBondContact O-NE2 2.77Å; M15-Q21 HydrophobicContact SD-CG 4.39Å; M15-F24 HydrophobicContact SD-CD1 4.12Å; M15-I37 HydrophobicContact CE-CG1 4.26Å; M15-I37 HydrophobicContact SD-CD1 4.47Å; M15-W40 HydrophobicContact CE-CD2 3.45Å; M15-W40 VanDerWaalsContact CE-CD2 3.45Å; M15-W40 HydrophobicContact CE-CE3 3.28Å; M15-W40 HydrophobicContact CE-CG 4.11Å; M15-W40 HydrophobicContact CE-CH2 3.91Å; M15-W40 HydrophobicContact CE-CZ2 4.06Å; M15-W40 HydrophobicContact CE-CZ3 3.53Å; M15-Y105 HydrophobicContact CB-CE2 3.99Å; M15-Y105 HydrophobicContact CG-CE2 3.81Å; M15-M108 HydrophobicContact CE-CE 4.27Å
16N86.5Confident86.2Confident137 Ų13757.5 Ų57.573%0.73329%0.286SS*.THydrogen-bonded Turntrans-81.6-6.2173-76.9-54.1000113.6D12 L14D12-N16 WeakPolarHBondContact O-CB 3.47Å; D12-N16 VanDerWaalsContact O-CG 3.26Å; D12-N16 PolarHBondContact O-N 3.01Å; D12-N16 PolarHBondContact O-ND2 3.26Å; L14-N16 VanDerWaalsContact C-N 3.33Å; L14-N16 PolarHBondContact O-N 3.24Å
17H86.6Confident86.9Confident66 Ų6652.1 Ų52.131%0.30627%0.266SS..SBendtrans-113.8120.7-178.5-160.2-74.7000111.1W7 L14 M15 V19 G20 Q21W7-H17 HydrophobicContact CZ2-CB 4Å; W7-H17 AromaticContact CZ2-CG 3.67Å; W7-H17 AromaticContact CZ2-ND1 3.49Å; W7-H17 WeakPolarHBondContact CZ2-ND1 3.33Å; W7-H17 AromaticContact NE1-CG 3.96Å; L14-H17 PolarHBondContact O-N 3.36Å; M15-H17 VanDerWaalsContact C-N 3.29Å; H17-V19 VanDerWaalsContact C-N 3.28Å; H17-V19 PolarHBondContact ND1-N 3.33Å; H17-V19 PolarHBondContact O-N 3.02Å; H17-G20 CarbonylContact O-C 3.54Å; H17-G20 WeakPolarHBondContact O-CA 3.24Å; H17-G20 PolarHBondContact O-N 3.46Å; H17-Q21 PolarHBondContact O-N 3.44Å
18K85.7Confident87.5Confident181 Ų18151.6 Ų51.679%0.78726%0.264SS*.Hα-helixtrans-53.7-42.2-177.4-72.8-170175.5-173.50113.8G20 Q21 Q22K18-G20 VanDerWaalsContact C-N 3.32Å; K18-G20 PolarHBondContact O-N 2.78Å; K18-Q21 PolarHBondContact O-N 3Å; K18-Q22 PolarHBondContact O-N 3.14Å
19V85.2Confident88.2Confident67 Ų6756 Ų5641%0.40628%0.277SS..Hα-helixtrans-64.4-38.8176.2-177.10000111.3W7 H17 Q22 M23W7-V19 HydrophobicContact CH2-CB 4.04Å; W7-V19 HydrophobicContact CH2-CG1 3.88Å; W7-V19 HydrophobicContact CZ2-CB 4.43Å; H17-V19 VanDerWaalsContact C-N 3.28Å; H17-V19 PolarHBondContact ND1-N 3.33Å; H17-V19 PolarHBondContact O-N 3.02Å; V19-Q22 PolarHBondContact O-N 3.45Å; V19-M23 HydrophobicContact CG1-CE 3.45Å; V19-M23 VanDerWaalsContact CG1-CE 3.45Å; V19-M23 HydrophobicContact CG1-SD 3.95Å; V19-M23 VanDerWaalsContact O-CG 3.29Å; V19-M23 WeakPolarHBondContact O-CG 3.45Å; V19-M23 PolarHBondContact O-N 3.36Å
20G86.6Confident88.7Confident0 Ų051.2 Ų51.20%027%0.267CS..Hα-helixtrans-65-45.6176.500000111.8L14 H17 K18 Q22 M23 F24L14-G20 VanDerWaalsContact CD1-CA 3.49Å; L14-G20 WeakPolarHBondContact CD1-O 3.48Å; H17-G20 CarbonylContact O-C 3.54Å; H17-G20 WeakPolarHBondContact O-CA 3.24Å; H17-G20 PolarHBondContact O-N 3.46Å; K18-G20 VanDerWaalsContact C-N 3.32Å; K18-G20 PolarHBondContact O-N 2.78Å; G20-Q22 PolarHBondContact O-N 3.1Å; G20-M23 PolarHBondContact O-N 3.26Å; G20-F24 WeakPolarHBondContact O-CB 3.37Å; G20-F24 PolarHBondContact O-N 2.82Å
21Q90.7Very high88.9Confident32 Ų3252.7 Ų52.715%0.1527%0.271CS..Hα-helixtrans-57.1-47.2172.8-66.1-179.711.900111.9M15 H17 K18 M23 F24 A25 I37 Q41M15-Q21 WeakPolarHBondContact O-CG 3.44Å; M15-Q21 PolarHBondContact O-NE2 2.77Å; M15-Q21 HydrophobicContact SD-CG 4.39Å; H17-Q21 PolarHBondContact O-N 3.44Å; K18-Q21 PolarHBondContact O-N 3Å; Q21-M23 PolarHBondContact O-N 3.39Å; Q21-F24 PolarHBondContact O-N 2.65Å; Q21-A25 WeakPolarHBondContact O-CB 3.3Å; Q21-A25 PolarHBondContact O-N 3.33Å; Q21-I37 HydrophobicContact CB-CD1 4.28Å; Q21-I37 WeakPolarHBondContact O-CD1 3.35Å; Q21-Q41 VanDerWaalsContact OE1-NE2 3.15Å
22Q88.2Confident88.8Confident106 Ų10661.5 Ų61.550%0.49531%0.31SS..Hα-helixtrans-61.4-45.5-179.9-175.661.453.600111.7K18 V19 G20 F24 A25 D26K18-Q22 PolarHBondContact O-N 3.14Å; V19-Q22 PolarHBondContact O-N 3.45Å; G20-Q22 PolarHBondContact O-N 3.1Å; Q22-F24 VanDerWaalsContact C-N 3.31Å; Q22-F24 PolarHBondContact O-N 3.28Å; Q22-A25 WeakPolarHBondContact O-CB 3.49Å; Q22-A25 PolarHBondContact O-N 3.2Å; Q22-D26 PolarHBondContact NE2-OD1 3.36Å; Q22-D26 VanDerWaalsContact O-CG 3.25Å; Q22-D26 PolarHBondContact O-N 3.05Å
23M86.3Confident88.9Confident25 Ų2558.9 Ų58.912%0.12330%0.296CS..Hα-helixtrans-64.8-38.1178.6-71.2172.1177.800112.1W7 V19 G20 Q21 D26 F27 F116 F121 L125 F129W7-M23 HydrophobicContact CH2-SD 4.21Å; W7-M23 HydrophobicContact CZ3-SD 3.66Å; V19-M23 HydrophobicContact CG1-CE 3.45Å; V19-M23 VanDerWaalsContact CG1-CE 3.45Å; V19-M23 HydrophobicContact CG1-SD 3.95Å; V19-M23 VanDerWaalsContact O-CG 3.29Å; V19-M23 WeakPolarHBondContact O-CG 3.45Å; V19-M23 PolarHBondContact O-N 3.36Å; G20-M23 PolarHBondContact O-N 3.26Å; Q21-M23 PolarHBondContact O-N 3.39Å; M23-D26 PolarHBondContact O-N 2.95Å; M23-F27 PolarHBondContact O-N 3.2Å; M23-F116 HydrophobicContact CB-CE2 4.4Å; M23-F116 HydrophobicContact CB-CZ 4.11Å; M23-F121 HydrophobicContact CB-CE1 4.09Å; M23-F121 HydrophobicContact CG-CE1 4.38Å; M23-L125 HydrophobicContact CB-CD1 4.16Å; M23-L125 HydrophobicContact CE-CD1 4.28Å; M23-L125 HydrophobicContact CE-CD2 3.28Å; M23-L125 HydrophobicContact CE-CG 4.4Å; M23-L125 HydrophobicContact CG-CD1 3.98Å; M23-L125 HydrophobicContact CG-CD2 4.45Å; M23-L125 HydrophobicContact SD-CD1 3.33Å; M23-L125 WeakPolarHBondContact SD-CD1 3.38Å; M23-L125 HydrophobicContact SD-CD2 3.51Å; M23-L125 VanDerWaalsContact SD-CD2 3.51Å; M23-L125 HydrophobicContact SD-CG 4.04Å; M23-F129 HydrophobicContact CE-CE2 4.13Å
24F91Very high89.2Confident0 Ų058.4 Ų58.40%029%0.291CS..Hα-helixtrans-67-39.2174.2-169.3-125.4000111.4F11 L14 M15 G20 Q21 Q22 F27 L28 I37 M108 F116F11-F24 HydrophobicContact CE2-CD1 4.16Å; F11-F24 AromaticContact CE2-CE1 3.59Å; F11-F24 HydrophobicContact CE2-CE1 3.59Å; F11-F24 AromaticContact CE2-CZ 3.82Å; F11-F24 HydrophobicContact CE2-CZ 3.82Å; F11-F24 AromaticContact CZ-CE1 3.96Å; F11-F24 HydrophobicContact CZ-CE1 3.96Å; F11-F24 HydrophobicContact CZ-CZ 4.41Å; L14-F24 HydrophobicContact CD2-CB 4Å; L14-F24 HydrophobicContact CD2-CD1 4.47Å; L14-F24 HydrophobicContact CD2-CD2 3.98Å; L14-F24 HydrophobicContact CD2-CG 3.91Å; L14-F24 HydrophobicContact CG-CB 4.48Å; M15-F24 HydrophobicContact SD-CD1 4.12Å; G20-F24 WeakPolarHBondContact O-CB 3.37Å; G20-F24 PolarHBondContact O-N 2.82Å; Q21-F24 PolarHBondContact O-N 2.65Å; Q22-F24 VanDerWaalsContact C-N 3.31Å; Q22-F24 PolarHBondContact O-N 3.28Å; F24-F27 HydrophobicContact CD2-CD1 4.36Å; F24-F27 HydrophobicContact CE2-CD1 4.34Å; F24-F27 WeakPolarHBondContact O-CB 3.43Å; F24-F27 PolarHBondContact O-N 2.8Å; F24-L28 HydrophobicContact CD1-CD1 3.87Å; F24-L28 HydrophobicContact CD1-CG 4.44Å; F24-L28 HydrophobicContact CE1-CD1 3.69Å; F24-L28 HydrophobicContact CE1-CD2 4.49Å; F24-L28 HydrophobicContact CE1-CG 4.25Å; F24-L28 HydrophobicContact CE2-CD2 4.41Å; F24-L28 HydrophobicContact CE2-CG 4.41Å; F24-L28 HydrophobicContact CG-CD1 4.46Å; F24-L28 HydrophobicContact CZ-CD1 4.15Å; F24-L28 HydrophobicContact CZ-CD2 4.13Å; F24-L28 HydrophobicContact CZ-CG 4.26Å; F24-L28 VanDerWaalsContact O-CG 3.27Å; F24-L28 WeakPolarHBondContact O-CG 3.34Å; F24-L28 PolarHBondContact O-N 3Å; F24-I37 HydrophobicContact CB-CD1 4.25Å; F24-I37 HydrophobicContact CD1-CD1 3.79Å; F24-I37 HydrophobicContact CG-CD1 4.49Å; F24-M108 HydrophobicContact CE1-CB 4.03Å; F24-M108 HydrophobicContact CE1-CG 4.24Å; F24-M108 HydrophobicContact CE1-SD 3.81Å; F24-M108 HydrophobicContact CZ-CB 4.14Å; F24-F116 HydrophobicContact CD2-CB 3.8Å; F24-F116 AromaticContact CD2-CD1 3.83Å; F24-F116 HydrophobicContact CD2-CD1 3.83Å; F24-F116 HydrophobicContact CD2-CD2 4.05Å; F24-F116 HydrophobicContact CD2-CE1 4.41Å; F24-F116 AromaticContact CD2-CG 3.63Å; F24-F116 HydrophobicContact CD2-CG 3.63Å; F24-F116 HydrophobicContact CE2-CB 3.76Å; F24-F116 HydrophobicContact CE2-CD1 4.43Å; F24-F116 HydrophobicContact CE2-CG 4.12Å
25A92Very high89.5Confident13 Ų1360.1 Ų60.111%0.10730%0.299CS..Hα-helixtrans-61.4-44.5173.600000112.2Q21 Q22 F27 L28 K29 I37Q21-A25 WeakPolarHBondContact O-CB 3.3Å; Q21-A25 PolarHBondContact O-N 3.33Å; Q22-A25 WeakPolarHBondContact O-CB 3.49Å; Q22-A25 PolarHBondContact O-N 3.2Å; A25-F27 VanDerWaalsContact C-N 3.29Å; A25-F27 PolarHBondContact O-N 3.24Å; A25-L28 PolarHBondContact O-N 3.25Å; A25-K29 VanDerWaalsContact O-CB 3.27Å; A25-K29 WeakPolarHBondContact O-CB 3.34Å; A25-K29 PolarHBondContact O-N 3.04Å; A25-I37 HydrophobicContact CB-CD1 3.94Å; A25-I37 HydrophobicContact CB-CG2 3.79Å
26D90.6Very high89.7Confident68 Ų6860.4 Ų60.436%0.36430%0.3SS..Hα-helixtrans-62.8-39.5177.9-64.9-21.2000111.1Q22 M23 K29 S30 F121Q22-D26 PolarHBondContact NE2-OD1 3.36Å; Q22-D26 VanDerWaalsContact O-CG 3.25Å; Q22-D26 PolarHBondContact O-N 3.05Å; M23-D26 PolarHBondContact O-N 2.95Å; D26-K29 PolarHBondContact O-N 3.37Å; D26-S30 PolarHBondContact O-N 3.07Å; D26-S30 VanDerWaalsContact O-N 3.14Å; D26-F121 HydrophobicContact CB-CE1 4.46Å; D26-F121 HydrophobicContact CB-CZ 3.86Å
27F91.3Very high90.1Very high11 Ų1153.9 Ų53.95%0.04827%0.265CS..Hα-helixtrans-63.2-51.3173.2171.9-99.2000112.1M23 F24 A25 K29 S30 E31 S112 R115 F116M23-F27 PolarHBondContact O-N 3.2Å; F24-F27 HydrophobicContact CD2-CD1 4.36Å; F24-F27 HydrophobicContact CE2-CD1 4.34Å; F24-F27 WeakPolarHBondContact O-CB 3.43Å; F24-F27 PolarHBondContact O-N 2.8Å; A25-F27 VanDerWaalsContact C-N 3.29Å; A25-F27 PolarHBondContact O-N 3.24Å; F27-K29 PolarHBondContact O-N 2.96Å; F27-S30 WeakPolarHBondContact O-CB 3.19Å; F27-S30 PolarHBondContact O-N 3.27Å; F27-S30 PolarHBondContact O-OG 3.02Å; F27-E31 HydrophobicContact CE1-CG 4.41Å; F27-E31 WeakPolarHBondContact CE1-OE2 3.44Å; F27-E31 HydrophobicContact CE2-CG 4.42Å; F27-E31 HydrophobicContact CZ-CG 4.14Å; F27-E31 VanDerWaalsContact CZ-OE1 3.23Å; F27-E31 WeakPolarHBondContact CZ-OE1 3.46Å; F27-E31 WeakPolarHBondContact CZ-OE2 3.18Å; F27-E31 PolarHBondContact O-N 3.44Å; F27-S112 WeakPolarHBondContact CE1-O 3.29Å; F27-R115 HydrophobicContact CE1-CB 4.19Å; F27-R115 HydrophobicContact CZ-CB 3.69Å; F27-F116 HydrophobicContact CB-CD2 3.52Å; F27-F116 HydrophobicContact CB-CE2 3.96Å; F27-F116 HydrophobicContact CD1-CB 3.67Å; F27-F116 AromaticContact CD1-CD2 3.89Å; F27-F116 HydrophobicContact CD1-CD2 3.89Å; F27-F116 HydrophobicContact CD1-CG 4.22Å; F27-F116 HydrophobicContact CD2-CD2 4.06Å; F27-F116 HydrophobicContact CE1-CB 3.75Å; F27-F116 HydrophobicContact CG-CB 4.11Å; F27-F116 AromaticContact CG-CD2 3.54Å; F27-F116 HydrophobicContact CG-CD2 3.54Å; F27-F116 HydrophobicContact CG-CE2 4.44Å; F27-F116 HydrophobicContact CG-CG 4.29Å; F27-F116 HydrophobicContact CZ-CB 4.27Å
28L91.9Very high90.5Very high0 Ų053.2 Ų53.20%026%0.264CS..Hα-helixtrans-59.6-36.9177.7-69.6173.6000112F24 A25 S30 E31 F32 S33 D34 I37 M108 S112F24-L28 HydrophobicContact CD1-CD1 3.87Å; F24-L28 HydrophobicContact CD1-CG 4.44Å; F24-L28 HydrophobicContact CE1-CD1 3.69Å; F24-L28 HydrophobicContact CE1-CD2 4.49Å; F24-L28 HydrophobicContact CE1-CG 4.25Å; F24-L28 HydrophobicContact CE2-CD2 4.41Å; F24-L28 HydrophobicContact CE2-CG 4.41Å; F24-L28 HydrophobicContact CG-CD1 4.46Å; F24-L28 HydrophobicContact CZ-CD1 4.15Å; F24-L28 HydrophobicContact CZ-CD2 4.13Å; F24-L28 HydrophobicContact CZ-CG 4.26Å; F24-L28 VanDerWaalsContact O-CG 3.27Å; F24-L28 WeakPolarHBondContact O-CG 3.34Å; F24-L28 PolarHBondContact O-N 3Å; A25-L28 PolarHBondContact O-N 3.25Å; L28-S30 VanDerWaalsContact C-N 3.28Å; L28-S30 PolarHBondContact O-N 3.2Å; L28-E31 CarbonylContact O-C 3.56Å; L28-E31 WeakPolarHBondContact O-CA 3.17Å; L28-E31 PolarHBondContact O-N 3.09Å; L28-F32 PolarHBondContact O-N 3.31Å; L28-S33 VanDerWaalsContact CD2-OG 3.3Å; L28-S33 WeakPolarHBondContact CD2-OG 3.41Å; L28-S33 PolarHBondContact O-N 3.19Å; L28-S33 PolarHBondContact O-OG 2.98Å; L28-D34 HydrophobicContact CB-CB 4.18Å; L28-I37 HydrophobicContact CD1-CB 3.63Å; L28-I37 HydrophobicContact CD1-CG2 3.67Å; L28-M108 HydrophobicContact CD1-SD 4.22Å; L28-S112 WeakPolarHBondContact CD2-OG 3.36Å
29K91.4Very high91.1Very high135 Ų13544.6 Ų44.659%0.58723%0.226SC*.Hα-helixtrans-64.1-34.5176.3-172.5175.9-177.6177.60112A25 D26 F27 E31 F32 D34A25-K29 VanDerWaalsContact O-CB 3.27Å; A25-K29 WeakPolarHBondContact O-CB 3.34Å; A25-K29 PolarHBondContact O-N 3.04Å; D26-K29 PolarHBondContact O-N 3.37Å; F27-K29 PolarHBondContact O-N 2.96Å; K29-E31 PolarHBondContact O-N 3.25Å; K29-F32 PolarHBondContact O-N 2.92Å; K29-D34 HydrophobicContact CB-CB 4.05Å
30S89.5Confident91.6Very high82 Ų8242.6 Ų42.657%0.57321%0.212SC*.Hα-helixtrans-68.2-23.6172.880.40000113.1D26 F27 L28D26-S30 PolarHBondContact O-N 3.07Å; D26-S30 VanDerWaalsContact O-N 3.14Å; F27-S30 WeakPolarHBondContact O-CB 3.19Å; F27-S30 PolarHBondContact O-N 3.27Å; F27-S30 PolarHBondContact O-OG 3.02Å; L28-S30 VanDerWaalsContact C-N 3.28Å; L28-S30 PolarHBondContact O-N 3.2Å
31E89.3Confident92Very high60 Ų6044.9 Ų44.928%0.2822%0.222SC..THydrogen-bonded Turntrans-98.56.4177-61.3-167.613700113.2F27 L28 K29 S33 R115F27-E31 HydrophobicContact CE1-CG 4.41Å; F27-E31 WeakPolarHBondContact CE1-OE2 3.44Å; F27-E31 HydrophobicContact CE2-CG 4.42Å; F27-E31 HydrophobicContact CZ-CG 4.14Å; F27-E31 VanDerWaalsContact CZ-OE1 3.23Å; F27-E31 WeakPolarHBondContact CZ-OE1 3.46Å; F27-E31 WeakPolarHBondContact CZ-OE2 3.18Å; F27-E31 PolarHBondContact O-N 3.44Å; L28-E31 CarbonylContact O-C 3.56Å; L28-E31 WeakPolarHBondContact O-CA 3.17Å; L28-E31 PolarHBondContact O-N 3.09Å; K29-E31 PolarHBondContact O-N 3.25Å; E31-S33 PolarHBondContact O-N 3.47Å; E31-R115 IonicContact OE1-CZ 3.09Å; E31-R115 IonicContact OE1-NE 2.74Å; E31-R115 IonicContact OE1-NH1 2.8Å; E31-R115 PolarHBondContact OE1-NH1 3.32Å; E31-R115 IonicContact OE2-CZ 3.62Å; E31-R115 IonicContact OE2-NE 3.94Å; E31-R115 IonicContact OE2-NH1 3.39Å; E31-R115 PolarHBondContact OE2-NH1 3.37Å; E31-R115 IonicContact OE2-NH2 2.71Å; E31-R115 PolarHBondContact OE2-NH2 2.95Å
32F87.5Confident92.2Very high187 Ų18744.5 Ų44.582%0.8222%0.224SC*.THydrogen-bonded Turntrans54.636.2-175.5-54.1-89.4000113.5L28 K29L28-F32 PolarHBondContact O-N 3.31Å; K29-F32 PolarHBondContact O-N 2.92Å
33S90.9Very high92.6Very high15 Ų1539.5 Ų39.511%0.10520%0.201CC..  trans-129.926.4-178.268.40000112.8L28 E31 E35 N36L28-S33 VanDerWaalsContact CD2-OG 3.3Å; L28-S33 WeakPolarHBondContact CD2-OG 3.41Å; L28-S33 PolarHBondContact O-N 3.19Å; L28-S33 PolarHBondContact O-OG 2.98Å; E31-S33 PolarHBondContact O-N 3.47Å; S33-E35 VanDerWaalsContact C-N 3.25Å; S33-E35 WeakPolarHBondContact CA-OE1 3.49Å; S33-E35 WeakPolarHBondContact CA-OE2 3.49Å; S33-E35 PolarHBondContact O-N 3.06Å; S33-N36 PolarHBondContact O-ND2 2.9Å
34D93.2Very high93Very high39 Ų3941 Ų4121%0.20921%0.208CC..THydrogen-bonded Turntrans-73.8-13-177.864.5-47.3000113.5L28 K29 N36 I37 L38L28-D34 HydrophobicContact CB-CB 4.18Å; K29-D34 HydrophobicContact CB-CB 4.05Å; D34-N36 PolarHBondContact O-N 2.83Å; D34-I37 WeakPolarHBondContact O-CG2 3.43Å; D34-I37 PolarHBondContact O-N 3.42Å; D34-L38 WeakPolarHBondContact O-CB 3.3Å; D34-L38 VanDerWaalsContact O-CG 3.24Å; D34-L38 WeakPolarHBondContact O-CG 3.36Å; D34-L38 PolarHBondContact O-N 3.31Å; D34-L38 VanDerWaalsContact O-N 3.09Å
35E95.5Very high93.2Very high36 Ų3644.7 Ų44.717%0.16823%0.227CC..Hα-helixtrans-55.1-34.9173.870.7-68.4157.300112.5S33 L38 F39 F66 K73 V75S33-E35 VanDerWaalsContact C-N 3.25Å; S33-E35 WeakPolarHBondContact CA-OE1 3.49Å; S33-E35 WeakPolarHBondContact CA-OE2 3.49Å; S33-E35 PolarHBondContact O-N 3.06Å; E35-L38 PolarHBondContact O-N 2.81Å; E35-F39 WeakPolarHBondContact O-CB 3.49Å; E35-F39 PolarHBondContact O-N 2.92Å; E35-F66 HydrophobicContact CB-CD1 4.42Å; E35-K73 HydrophobicContact CB-CB 3.98Å; E35-K73 WeakPolarHBondContact CB-O 3.17Å; E35-V75 HydrophobicContact CB-CG1 4.28Å; E35-V75 HydrophobicContact CG-CG1 3.97Å
36N94.8Very high93.4Very high8 Ų844.1 Ų44.14%0.04322%0.223CC..Hα-helixtrans-66-44.8-177.5-64.4-59.5000112.6S33 D34 W40 I104 M108S33-N36 PolarHBondContact O-ND2 2.9Å; D34-N36 PolarHBondContact O-N 2.83Å; N36-W40 WeakPolarHBondContact O-CB 3.4Å; N36-W40 PolarHBondContact O-N 2.62Å; N36-W40 VanDerWaalsContact O-N 3.13Å; N36-I104 HydrophobicContact CB-CG2 3.65Å; N36-I104 VanDerWaalsContact O-CG2 3.32Å; N36-I104 WeakPolarHBondContact O-CG2 3.49Å; N36-M108 HydrophobicContact CB-CG 3.64Å; N36-M108 HydrophobicContact CB-SD 3.71Å
37I94.4Very high93.6Very high0 Ų044.2 Ų44.20%022%0.22CC..Hα-helixtrans-75.6-36.8179.2-163.6177.3000111.2M15 Q21 F24 A25 L28 D34 W40 Q41 M108M15-I37 HydrophobicContact CE-CG1 4.26Å; M15-I37 HydrophobicContact SD-CD1 4.47Å; Q21-I37 HydrophobicContact CB-CD1 4.28Å; Q21-I37 WeakPolarHBondContact O-CD1 3.35Å; F24-I37 HydrophobicContact CB-CD1 4.25Å; F24-I37 HydrophobicContact CD1-CD1 3.79Å; F24-I37 HydrophobicContact CG-CD1 4.49Å; A25-I37 HydrophobicContact CB-CD1 3.94Å; A25-I37 HydrophobicContact CB-CG2 3.79Å; L28-I37 HydrophobicContact CD1-CB 3.63Å; L28-I37 HydrophobicContact CD1-CG2 3.67Å; D34-I37 WeakPolarHBondContact O-CG2 3.43Å; D34-I37 PolarHBondContact O-N 3.42Å; I37-W40 PolarHBondContact O-N 2.88Å; I37-Q41 HydrophobicContact CG1-CG 4.43Å; I37-Q41 WeakPolarHBondContact O-CB 3.27Å; I37-Q41 VanDerWaalsContact O-CG 3.32Å; I37-Q41 WeakPolarHBondContact O-CG 3.26Å; I37-Q41 PolarHBondContact O-N 3.46Å; I37-M108 HydrophobicContact CB-SD 3.95Å; I37-M108 HydrophobicContact CG1-SD 4.5Å
38L95Very high93.8Very high52 Ų5251 Ų5127%0.27225%0.245SC..Hα-helixtrans-63-44.1177.3-69.3175.1000110.9D34 E35 Q41 A42 F66D34-L38 WeakPolarHBondContact O-CB 3.3Å; D34-L38 VanDerWaalsContact O-CG 3.24Å; D34-L38 WeakPolarHBondContact O-CG 3.36Å; D34-L38 PolarHBondContact O-N 3.31Å; D34-L38 VanDerWaalsContact O-N 3.09Å; E35-L38 PolarHBondContact O-N 2.81Å; L38-Q41 PolarHBondContact O-N 3.19Å; L38-A42 WeakPolarHBondContact O-CB 3.37Å; L38-A42 PolarHBondContact O-N 3.44Å; L38-F66 HydrophobicContact CB-CE1 3.72Å; L38-F66 HydrophobicContact CB-CZ 3.73Å
39F96.9Very high93.9Very high0 Ų052.8 Ų52.80%025%0.253CS..Hα-helixtrans-60-46.9173.6173-108.6000111.7E35 Q41 A42 C43 I62 F66 V67 V75 F97 A100 Q101 I104E35-F39 WeakPolarHBondContact O-CB 3.49Å; E35-F39 PolarHBondContact O-N 2.92Å; F39-Q41 VanDerWaalsContact C-N 3.35Å; F39-Q41 PolarHBondContact O-N 3.29Å; F39-A42 PolarHBondContact O-N 3.09Å; F39-C43 VanDerWaalsContact CZ-SG 3.53Å; F39-C43 PolarHBondContact O-N 2.91Å; F39-C43 PolarHBondContact O-SG 3.29Å; F39-I62 HydrophobicContact CD2-CG2 3.9Å; F39-I62 HydrophobicContact CE2-CG2 3.65Å; F39-F66 HydrophobicContact CB-CB 4.08Å; F39-F66 HydrophobicContact CB-CD1 3.88Å; F39-F66 HydrophobicContact CB-CD2 4.26Å; F39-F66 HydrophobicContact CB-CE1 4.39Å; F39-F66 HydrophobicContact CB-CG 3.81Å; F39-F66 HydrophobicContact CD2-CB 3.44Å; F39-F66 VanDerWaalsContact CD2-CB 3.44Å; F39-F66 AromaticContact CD2-CD2 3.99Å; F39-F66 HydrophobicContact CD2-CD2 3.99Å; F39-F66 AromaticContact CD2-CG 3.82Å; F39-F66 HydrophobicContact CD2-CG 3.82Å; F39-F66 HydrophobicContact CE2-CB 4.23Å; F39-F66 HydrophobicContact CG-CB 4.08Å; F39-F66 HydrophobicContact CG-CG 4.27Å; F39-V67 HydrophobicContact CE2-CG2 4.13Å; F39-V75 HydrophobicContact CB-CG1 3.71Å; F39-V75 HydrophobicContact CD1-CG1 4.33Å; F39-V75 HydrophobicContact CD1-CG2 4.24Å; F39-V75 HydrophobicContact CD2-CG2 4.43Å; F39-V75 HydrophobicContact CE1-CG2 4.43Å; F39-V75 HydrophobicContact CG-CG1 4.02Å; F39-V75 HydrophobicContact CG-CG2 4.22Å; F39-F97 HydrophobicContact CE2-CD1 4.21Å; F39-F97 HydrophobicContact CE2-CG 4.46Å; F39-F97 HydrophobicContact CZ-CB 4.15Å; F39-F97 HydrophobicContact CZ-CD1 4.34Å; F39-F97 HydrophobicContact CZ-CG 4.48Å; F39-A100 HydrophobicContact CE1-CB 4.03Å; F39-A100 HydrophobicContact CZ-CB 3.68Å; F39-Q101 HydrophobicContact CE1-CB 4.48Å; F39-I104 HydrophobicContact CD1-CB 4.01Å; F39-I104 HydrophobicContact CD1-CG1 3.73Å; F39-I104 HydrophobicContact CD1-CG2 4.14Å; F39-I104 HydrophobicContact CE1-CB 4.28Å; F39-I104 HydrophobicContact CE1-CG1 3.82Å
40W95.9Very high94Very high26 Ų2655.6 Ų55.610%0.09827%0.266CS..Hα-helixtrans-61.1-43.3178.9-176.993.6000112M15 N36 I37 C43 E44 Q101 Y105 M108M15-W40 HydrophobicContact CE-CD2 3.45Å; M15-W40 VanDerWaalsContact CE-CD2 3.45Å; M15-W40 HydrophobicContact CE-CE3 3.28Å; M15-W40 HydrophobicContact CE-CG 4.11Å; M15-W40 HydrophobicContact CE-CH2 3.91Å; M15-W40 HydrophobicContact CE-CZ2 4.06Å; M15-W40 HydrophobicContact CE-CZ3 3.53Å; N36-W40 WeakPolarHBondContact O-CB 3.4Å; N36-W40 PolarHBondContact O-N 2.62Å; N36-W40 VanDerWaalsContact O-N 3.13Å; I37-W40 PolarHBondContact O-N 2.88Å; W40-C43 WeakPolarHBondContact O-CB 3.24Å; W40-C43 PolarHBondContact O-N 2.92Å; W40-E44 HydrophobicContact CD2-CG 4.14Å; W40-E44 HydrophobicContact CE3-CG 3.99Å; W40-E44 HydrophobicContact CH2-CG 3.6Å; W40-E44 HydrophobicContact CZ2-CG 3.73Å; W40-E44 HydrophobicContact CZ3-CG 3.72Å; W40-E44 PolarHBondContact O-N 3.43Å; W40-Q101 HydrophobicContact CG-CG 4.15Å; W40-Q101 PolarHBondContact O-NE2 2.97Å; W40-Y105 AromaticContact CD1-CD2 3.83Å; W40-Y105 HydrophobicContact CZ2-CE2 4.49Å; W40-Y105 AromaticContact NE1-CD2 3.38Å; W40-M108 HydrophobicContact CB-CE 3.9Å; W40-M108 HydrophobicContact CG-CE 4.14Å
41Q94.8Very high94.3Very high48 Ų4853.9 Ų53.922%0.22425%0.253CS..Hα-helixtrans-63.4-42.8176.3-74.2175.4-27.500111.5Q21 I37 L38 F39 C43 E44 D45Q21-Q41 VanDerWaalsContact OE1-NE2 3.15Å; I37-Q41 HydrophobicContact CG1-CG 4.43Å; I37-Q41 WeakPolarHBondContact O-CB 3.27Å; I37-Q41 VanDerWaalsContact O-CG 3.32Å; I37-Q41 WeakPolarHBondContact O-CG 3.26Å; I37-Q41 PolarHBondContact O-N 3.46Å; L38-Q41 PolarHBondContact O-N 3.19Å; F39-Q41 VanDerWaalsContact C-N 3.35Å; F39-Q41 PolarHBondContact O-N 3.29Å; Q41-C43 VanDerWaalsContact C-N 3.3Å; Q41-C43 PolarHBondContact O-N 3.45Å; Q41-E44 PolarHBondContact O-N 2.8Å; Q41-D45 WeakPolarHBondContact O-CB 3.47Å; Q41-D45 PolarHBondContact O-N 3.3Å; Q41-D45 VanDerWaalsContact O-OD1 3.14Å
42A96.2Very high94.4Very high23 Ų2355.2 Ų55.219%0.1927%0.27CS..Hα-helixtrans-63.3-37.2177.600000112.1L38 F39 D45 L46 I62 F66L38-A42 WeakPolarHBondContact O-CB 3.37Å; L38-A42 PolarHBondContact O-N 3.44Å; F39-A42 PolarHBondContact O-N 3.09Å; A42-D45 PolarHBondContact O-N 3.44Å; A42-L46 WeakPolarHBondContact O-CB 3.27Å; A42-L46 PolarHBondContact O-N 3.37Å; A42-I62 HydrophobicContact CB-CD1 3.99Å; A42-I62 HydrophobicContact CB-CG1 3.75Å; A42-I62 WeakPolarHBondContact O-CD1 3.38Å; A42-F66 HydrophobicContact CB-CE2 4.25Å
43C96.7Very high94.8Very high2 Ų253.5 Ų53.51%0.01426%0.264CS..Hα-helixtrans-63.9-44.5172.8-66.20000112.1F39 W40 Q41 D45 L46 K47 F97 Q101F39-C43 VanDerWaalsContact CZ-SG 3.53Å; F39-C43 PolarHBondContact O-N 2.91Å; F39-C43 PolarHBondContact O-SG 3.29Å; W40-C43 WeakPolarHBondContact O-CB 3.24Å; W40-C43 PolarHBondContact O-N 2.92Å; Q41-C43 VanDerWaalsContact C-N 3.3Å; Q41-C43 PolarHBondContact O-N 3.45Å; C43-D45 VanDerWaalsContact C-N 3.27Å; C43-D45 PolarHBondContact O-N 3.43Å; C43-L46 WeakPolarHBondContact O-CB 3.33Å; C43-L46 PolarHBondContact O-N 3.15Å; C43-K47 WeakPolarHBondContact O-CG 3.25Å; C43-K47 PolarHBondContact O-N 2.72Å; C43-F97 VanDerWaalsContact SG-CB 3.57Å; C43-Q101 HydrophobicContact CB-CB 4.14Å; C43-Q101 VanDerWaalsContact CB-CD 3.42Å; C43-Q101 HydrophobicContact CB-CG 3.83Å
44E95.2Very high95Very high57 Ų5757.9 Ų57.927%0.26628%0.281SS..Hα-helixtrans-61.7-36.9174.5-73.7-58.1110.200112.2W40 Q41 K47 R48 Q101W40-E44 HydrophobicContact CD2-CG 4.14Å; W40-E44 HydrophobicContact CE3-CG 3.99Å; W40-E44 HydrophobicContact CH2-CG 3.6Å; W40-E44 HydrophobicContact CZ2-CG 3.73Å; W40-E44 HydrophobicContact CZ3-CG 3.72Å; W40-E44 PolarHBondContact O-N 3.43Å; Q41-E44 PolarHBondContact O-N 2.8Å; E44-K47 PolarHBondContact O-N 3.28Å; E44-K47 IonicContact OE1-NZ 2.94Å; E44-R48 WeakPolarHBondContact O-CG 3.35Å; E44-R48 PolarHBondContact O-N 3.46Å; E44-R48 PolarHBondContact O-NH1 2.79Å; E44-Q101 PolarHBondContact OE1-NE2 3.21Å
45D94.9Very high95.1Very high76 Ų7656.9 Ų56.941%0.40628%0.276SS..Hα-helixtrans-68.8-36.9176.7-79.829.6000112.3Q41 A42 C43 R48Q41-D45 WeakPolarHBondContact O-CB 3.47Å; Q41-D45 PolarHBondContact O-N 3.3Å; Q41-D45 VanDerWaalsContact O-OD1 3.14Å; A42-D45 PolarHBondContact O-N 3.44Å; C43-D45 VanDerWaalsContact C-N 3.27Å; C43-D45 PolarHBondContact O-N 3.43Å; D45-R48 VanDerWaalsContact CG-NH2 3.29Å; D45-R48 PolarHBondContact O-N 2.69Å; D45-R48 IonicContact OD1-CZ 2.58Å; D45-R48 IonicContact OD1-NH1 3.33Å; D45-R48 PolarHBondContact OD1-NH1 3.37Å; D45-R48 IonicContact OD1-NH2 3.89Å; D45-R48 PolarHBondContact OD1-NH2 3.32Å; D45-R48 IonicContact OD2-NH2 3.33Å
46L96.2Very high95.1Very high1 Ų160.4 Ų60.41%0.00529%0.292CS..Hα-helixtrans-63.9-44.3172.7-176.672.1000111.1A42 C43 R48 E49 I55 K58 A59 I62 F97A42-L46 WeakPolarHBondContact O-CB 3.27Å; A42-L46 PolarHBondContact O-N 3.37Å; C43-L46 WeakPolarHBondContact O-CB 3.33Å; C43-L46 PolarHBondContact O-N 3.15Å; L46-R48 PolarHBondContact O-N 3.49Å; L46-E49 VanDerWaalsContact O-CB 3.3Å; L46-E49 WeakPolarHBondContact O-CB 3.45Å; L46-E49 PolarHBondContact O-N 3.48Å; L46-I55 HydrophobicContact CD1-CB 4.38Å; L46-I55 HydrophobicContact CD1-CG2 4.13Å; L46-I55 WeakPolarHBondContact CD1-O 3.29Å; L46-K58 HydrophobicContact CD1-CB 3.55Å; L46-K58 HydrophobicContact CD1-CD 4.38Å; L46-A59 HydrophobicContact CD1-CB 4.37Å; L46-A59 HydrophobicContact CD2-CB 4.38Å; L46-I62 HydrophobicContact CB-CD1 3.93Å; L46-I62 HydrophobicContact CD2-CD1 4.16Å; L46-I62 HydrophobicContact CG-CD1 4.45Å; L46-F97 HydrophobicContact CD2-CD2 3.56Å; L46-F97 HydrophobicContact CD2-CE2 3.69Å
47K95.1Very high95.2Very high71 Ų7165.7 Ų65.731%0.30932%0.317SS..Hα-helixtrans-59.4-26.9179.3-76.2173.3177.3-170.50114.3C43 E44 A94 D98C43-K47 WeakPolarHBondContact O-CG 3.25Å; C43-K47 PolarHBondContact O-N 2.72Å; E44-K47 PolarHBondContact O-N 3.28Å; E44-K47 IonicContact OE1-NZ 2.94Å; K47-A94 WeakPolarHBondContact CG-O 3.45Å; K47-D98 WeakPolarHBondContact CE-OD1 3.34Å; K47-D98 IonicContact NZ-OD1 2.86Å; K47-D98 PolarHBondContact NZ-OD1 3.42Å
48R94Very high95.3Very high154 Ų15469 Ų6958%0.58133%0.331SS*.THydrogen-bonded Turntrans-86.3-11.9178.2-64.2-171.1-54.1-91.110.5113.2E44 D45 L46E44-R48 WeakPolarHBondContact O-CG 3.35Å; E44-R48 PolarHBondContact O-N 3.46Å; E44-R48 PolarHBondContact O-NH1 2.79Å; D45-R48 VanDerWaalsContact CG-NH2 3.29Å; D45-R48 PolarHBondContact O-N 2.69Å; D45-R48 IonicContact OD1-CZ 2.58Å; D45-R48 IonicContact OD1-NH1 3.33Å; D45-R48 PolarHBondContact OD1-NH1 3.37Å; D45-R48 IonicContact OD1-NH2 3.89Å; D45-R48 PolarHBondContact OD1-NH2 3.32Å; D45-R48 IonicContact OD2-NH2 3.33Å; L46-R48 PolarHBondContact O-N 3.49Å
49E94.9Very high95.4Very high36 Ų3666.5 Ų66.517%0.16832%0.318CS..  trans-74.3139.9178.6-170.555.6-106.600111L46 S51 K54 I55 K58L46-E49 VanDerWaalsContact O-CB 3.3Å; L46-E49 WeakPolarHBondContact O-CB 3.45Å; L46-E49 PolarHBondContact O-N 3.48Å; E49-S51 PolarHBondContact OE1-N 2.96Å; E49-K54 VanDerWaalsContact CD-CB 3.46Å; E49-K54 HydrophobicContact CG-CB 3.52Å; E49-K54 WeakPolarHBondContact OE2-CD 3.48Å; E49-I55 HydrophobicContact CB-CG1 3.82Å; E49-I55 HydrophobicContact CG-CG1 3.71Å; E49-K58 HydrophobicContact CB-CD 4.42Å; E49-K58 HydrophobicContact CG-CD 4.46Å; E49-K58 IonicContact OE2-NZ 3.28Å; E49-K58 PolarHBondContact OE2-NZ 3.17Å
50K93.2Very high95.4Very high195 Ų19573.3 Ų73.385%0.84834%0.344SS*.  trans-115.2-20.3-179.8-63.3-175.4-179.3-178.70112.6
51S94.9Very high95.4Very high45 Ų4575.8 Ų75.832%0.31536%0.358SS..  trans-79.7122.5176.5177.40000110.2E49 E53 K54 I55E49-S51 PolarHBondContact OE1-N 2.96Å; S51-E53 PolarHBondContact O-N 3.01Å; S51-K54 PolarHBondContact O-N 2.96Å; S51-I55 VanDerWaalsContact O-CG1 3.31Å; S51-I55 WeakPolarHBondContact O-CG1 3.26Å; S51-I55 PolarHBondContact O-N 3.27Å
52S93Very high95.5Very high89 Ų8973.9 Ų73.962%0.62235%0.349SS*.Hα-helixtrans-56.6-38.7177.1-167.20000112.4I55 E56S52-I55 PolarHBondContact O-N 3.05Å; S52-E56 PolarHBondContact O-N 2.73Å
53E94.4Very high95.6Very high151 Ų15175.7 Ų75.771%0.70635%0.352SS*.Hα-helixtrans-63.3-46178.1-177.3-178.5-166.800111.3S51 I55 E56 E57S51-E53 PolarHBondContact O-N 3.01Å; E53-I55 VanDerWaalsContact C-N 3.34Å; E53-I55 PolarHBondContact O-N 3.28Å; E53-E56 PolarHBondContact O-N 3.31Å; E53-E57 PolarHBondContact O-N 3.38Å
54K95.4Very high95.6Very high106 Ų10680 Ų8046%0.46137%0.372SS..Hα-helixtrans-69.9-32177.8-67.1-174.7176.1-1770112.6E49 S51 K58E49-K54 VanDerWaalsContact CD-CB 3.46Å; E49-K54 HydrophobicContact CG-CB 3.52Å; E49-K54 WeakPolarHBondContact OE2-CD 3.48Å; S51-K54 PolarHBondContact O-N 2.96Å; K54-K58 VanDerWaalsContact O-CB 3.23Å; K54-K58 WeakPolarHBondContact O-CB 3.28Å; K54-K58 VanDerWaalsContact O-CG 3.26Å; K54-K58 WeakPolarHBondContact O-CG 3.41Å; K54-K58 PolarHBondContact O-N 2.87Å
55I96.3Very high95.6Very high19 Ų1981.1 Ų81.110%0.09738%0.379CS..Hα-helixtrans-63.3-47.5174.1-73.6167.6000109.5L46 E49 S51 S52 E53 A59 N93 A94L46-I55 HydrophobicContact CD1-CB 4.38Å; L46-I55 HydrophobicContact CD1-CG2 4.13Å; L46-I55 WeakPolarHBondContact CD1-O 3.29Å; E49-I55 HydrophobicContact CB-CG1 3.82Å; E49-I55 HydrophobicContact CG-CG1 3.71Å; S51-I55 VanDerWaalsContact O-CG1 3.31Å; S51-I55 WeakPolarHBondContact O-CG1 3.26Å; S51-I55 PolarHBondContact O-N 3.27Å; S52-I55 PolarHBondContact O-N 3.05Å; E53-I55 VanDerWaalsContact C-N 3.34Å; E53-I55 PolarHBondContact O-N 3.28Å; I55-A59 WeakPolarHBondContact O-CB 3.39Å; I55-A59 PolarHBondContact O-N 3.49Å; I55-N93 VanDerWaalsContact CG2-C 3.45Å; I55-A94 HydrophobicContact CD1-CB 4.41Å
56E95.6Very high95.7Very high109 Ų10978.1 Ų78.151%0.50936%0.363SS..Hα-helixtrans-62.2-46.9178.7-173176.8170.200111.7S52 E53 A59 R60 P92S52-E56 PolarHBondContact O-N 2.73Å; E53-E56 PolarHBondContact O-N 3.31Å; E56-A59 PolarHBondContact O-N 2.99Å; E56-R60 PolarHBondContact O-N 2.87Å; E56-P92 HydrophobicContact CG-CG 4.42Å
57E96.3Very high95.7Very high120 Ų12078.2 Ų78.256%0.56136%0.363SS*.Hα-helixtrans-58.5-53.5176.2-175.9-177.7-171.900111.6E53 A59 R60 I61E53-E57 PolarHBondContact O-N 3.38Å; E57-A59 VanDerWaalsContact C-N 3.33Å; E57-A59 PolarHBondContact O-N 2.73Å; E57-R60 PolarHBondContact O-N 3.02Å; E57-I61 HydrophobicContact CG-CD1 4.13Å; E57-I61 WeakPolarHBondContact O-CG1 3.3Å; E57-I61 PolarHBondContact O-N 3.02Å
58K97Very high95.6Very high68 Ų6876 Ų7630%0.29636%0.357SS..Hα-helixtrans-62.1-39.7179.1-76.7174.2169.9173.60112.1L46 E49 K54 R60 I61 I62L46-K58 HydrophobicContact CD1-CB 3.55Å; L46-K58 HydrophobicContact CD1-CD 4.38Å; E49-K58 HydrophobicContact CB-CD 4.42Å; E49-K58 HydrophobicContact CG-CD 4.46Å; E49-K58 IonicContact OE2-NZ 3.28Å; E49-K58 PolarHBondContact OE2-NZ 3.17Å; K54-K58 VanDerWaalsContact O-CB 3.23Å; K54-K58 WeakPolarHBondContact O-CB 3.28Å; K54-K58 VanDerWaalsContact O-CG 3.26Å; K54-K58 WeakPolarHBondContact O-CG 3.41Å; K54-K58 PolarHBondContact O-N 2.87Å; K58-R60 VanDerWaalsContact C-N 3.35Å; K58-I61 PolarHBondContact O-N 2.96Å; K58-I62 WeakPolarHBondContact O-CB 3.28Å; K58-I62 WeakPolarHBondContact O-CD1 3.44Å; K58-I62 WeakPolarHBondContact O-CG1 3.46Å; K58-I62 PolarHBondContact O-N 2.82Å
59A97.1Very high95.5Very high0 Ų074.4 Ų74.40%036%0.358CS..Hα-helixtrans-65.3-39.917900000111.7L46 I55 E56 E57 I62 Y63 M89 P92 F97L46-A59 HydrophobicContact CD1-CB 4.37Å; L46-A59 HydrophobicContact CD2-CB 4.38Å; I55-A59 WeakPolarHBondContact O-CB 3.39Å; I55-A59 PolarHBondContact O-N 3.49Å; E56-A59 PolarHBondContact O-N 2.99Å; E57-A59 VanDerWaalsContact C-N 3.33Å; E57-A59 PolarHBondContact O-N 2.73Å; A59-I62 PolarHBondContact O-N 2.95Å; A59-Y63 WeakPolarHBondContact O-CB 3.41Å; A59-Y63 PolarHBondContact O-N 2.55Å; A59-M89 HydrophobicContact CB-SD 4.35Å; A59-P92 HydrophobicContact CB-CB 3.52Å; A59-P92 HydrophobicContact CB-CG 4.28Å; A59-F97 HydrophobicContact CB-CE2 3.85Å; A59-F97 HydrophobicContact CB-CZ 4.21Å; A59-F97 WeakPolarHBondContact O-CZ 3.36Å
60R96Very high95.4Very high143 Ų14380 Ų8054%0.5439%0.389SS..Hα-helixtrans-59.6-47.5171.5-90.7-164.467112.8-2.1112.3E56 E57 K58 I62 Y63 E64 M89E56-R60 PolarHBondContact O-N 2.87Å; E57-R60 PolarHBondContact O-N 3.02Å; K58-R60 VanDerWaalsContact C-N 3.35Å; R60-I62 PolarHBondContact O-N 3.48Å; R60-Y63 PolarHBondContact O-N 3.28Å; R60-E64 IonicContact CZ-OE1 3.77Å; R60-E64 VanDerWaalsContact CZ-OE1 3.28Å; R60-E64 IonicContact NE-OE1 2.7Å; R60-E64 PolarHBondContact NE-OE1 3.39Å; R60-E64 IonicContact NH2-OE1 3.37Å; R60-E64 PolarHBondContact NH2-OE1 2.97Å; R60-E64 WeakPolarHBondContact O-CG 3.47Å; R60-E64 PolarHBondContact O-N 3.04Å; R60-M89 HydrophobicContact CG-CE 4.15Å
61I96.8Very high95.4Very high79 Ų7971.6 Ų71.641%0.40535%0.354SS..Hα-helixtrans-59.6-48.7178.9-65.7167.3000110.3E57 K58 Y63 E64 D65E57-I61 HydrophobicContact CG-CD1 4.13Å; E57-I61 WeakPolarHBondContact O-CG1 3.3Å; E57-I61 PolarHBondContact O-N 3.02Å; K58-I61 PolarHBondContact O-N 2.96Å; I61-Y63 VanDerWaalsContact C-N 3.28Å; I61-Y63 PolarHBondContact O-N 3.48Å; I61-E64 PolarHBondContact O-N 3.37Å; I61-D65 WeakPolarHBondContact O-CB 3.32Å; I61-D65 PolarHBondContact O-N 3.47Å
62I97.4Very high95.3Very high7 Ų775.9 Ų75.94%0.03638%0.381CS..Hα-helixtrans-58.8-42.6178.1-69.2165.1000111.2F39 A42 L46 K58 A59 R60 F66 F97F39-I62 HydrophobicContact CD2-CG2 3.9Å; F39-I62 HydrophobicContact CE2-CG2 3.65Å; A42-I62 HydrophobicContact CB-CD1 3.99Å; A42-I62 HydrophobicContact CB-CG1 3.75Å; A42-I62 WeakPolarHBondContact O-CD1 3.38Å; L46-I62 HydrophobicContact CB-CD1 3.93Å; L46-I62 HydrophobicContact CD2-CD1 4.16Å; L46-I62 HydrophobicContact CG-CD1 4.45Å; K58-I62 WeakPolarHBondContact O-CB 3.28Å; K58-I62 WeakPolarHBondContact O-CD1 3.44Å; K58-I62 WeakPolarHBondContact O-CG1 3.46Å; K58-I62 PolarHBondContact O-N 2.82Å; A59-I62 PolarHBondContact O-N 2.95Å; R60-I62 PolarHBondContact O-N 3.48Å; I62-F66 HydrophobicContact CG2-CD2 4.37Å; I62-F66 WeakPolarHBondContact O-CB 3.43Å; I62-F66 PolarHBondContact O-N 2.64Å; I62-F97 HydrophobicContact CB-CE2 3.91Å; I62-F97 HydrophobicContact CB-CZ 3.91Å; I62-F97 HydrophobicContact CD1-CD2 4.38Å; I62-F97 HydrophobicContact CD1-CE2 4.15Å; I62-F97 HydrophobicContact CG2-CD1 4.13Å; I62-F97 HydrophobicContact CG2-CD2 3.96Å; I62-F97 HydrophobicContact CG2-CE1 3.86Å; I62-F97 HydrophobicContact CG2-CE2 3.71Å; I62-F97 HydrophobicContact CG2-CG 4.18Å; I62-F97 HydrophobicContact CG2-CZ 3.66Å
63Y96.8Very high95.3Very high62 Ų6276.2 Ų76.224%0.24337%0.371CS..Iπ-helixtrans-63.5-48.7178.5-175-87000111.7A59 R60 I61 V67 S68 V85 N86 M89A59-Y63 WeakPolarHBondContact O-CB 3.41Å; A59-Y63 PolarHBondContact O-N 2.55Å; R60-Y63 PolarHBondContact O-N 3.28Å; I61-Y63 VanDerWaalsContact C-N 3.28Å; I61-Y63 PolarHBondContact O-N 3.48Å; Y63-V67 HydrophobicContact CD2-CB 3.81Å; Y63-V67 HydrophobicContact CD2-CG1 3.81Å; Y63-V67 HydrophobicContact CD2-CG2 4.41Å; Y63-V67 HydrophobicContact CE2-CB 4.09Å; Y63-V67 HydrophobicContact CE2-CG1 3.63Å; Y63-V67 HydrophobicContact CG-CB 4.24Å; Y63-V67 CarbonylContact O-C 3.35Å; Y63-V67 WeakPolarHBondContact O-CA 3.5Å; Y63-V67 WeakPolarHBondContact O-CB 3.49Å; Y63-V67 PolarHBondContact O-N 2.97Å; Y63-S68 PolarHBondContact O-N 3.48Å; Y63-V85 HydrophobicContact CD2-CG1 3.91Å; Y63-V85 HydrophobicContact CE2-CG1 4.11Å; Y63-N86 WeakPolarHBondContact CE2-OD1 3.29Å; Y63-N86 PolarHBondContact OH-OD1 3.46Å; Y63-M89 HydrophobicContact CD2-CE 4.42Å; Y63-M89 HydrophobicContact CD2-CG 3.49Å; Y63-M89 VanDerWaalsContact CD2-CG 3.49Å; Y63-M89 HydrophobicContact CD2-SD 4.06Å; Y63-M89 HydrophobicContact CE2-CG 3.9Å; Y63-M89 HydrophobicContact CG-CE 4.12Å; Y63-M89 HydrophobicContact CG-CG 4.13Å; Y63-M89 HydrophobicContact CG-SD 4.29Å
64E96.5Very high95.3Very high93 Ų9372.3 Ų72.344%0.43535%0.353SS..Iπ-helixtrans-64.5-40.6179.9-73.8174.3-159.500112.4R60 I61 S71R60-E64 IonicContact CZ-OE1 3.77Å; R60-E64 VanDerWaalsContact CZ-OE1 3.28Å; R60-E64 IonicContact NE-OE1 2.7Å; R60-E64 PolarHBondContact NE-OE1 3.39Å; R60-E64 IonicContact NH2-OE1 3.37Å; R60-E64 PolarHBondContact NH2-OE1 2.97Å; R60-E64 WeakPolarHBondContact O-CG 3.47Å; R60-E64 PolarHBondContact O-N 3.04Å; I61-E64 PolarHBondContact O-N 3.37Å; E64-S71 VanDerWaalsContact O-CB 3.32Å; E64-S71 WeakPolarHBondContact O-CB 3.45Å
65D96.7Very high95.3Very high79 Ų7967.3 Ų67.342%0.42233%0.331SS..Iπ-helixtrans-79.6-31.5-176.4-77.6-14.7000113.3I61 S71 K73I61-D65 WeakPolarHBondContact O-CB 3.32Å; I61-D65 PolarHBondContact O-N 3.47Å; D65-S71 VanDerWaalsContact C-OG 3.27Å; D65-S71 WeakPolarHBondContact O-CB 3.42Å; D65-S71 PolarHBondContact O-OG 3.4Å; D65-K73 WeakPolarHBondContact O-CB 3.41Å
66F97Very high95.2Very high14 Ų1470.6 Ų70.66%0.06136%0.356CS..Iπ-helixtrans-129-20.6-169.5-57.6-72.7000115E35 L38 F39 A42 I62 K73 E74 V75E35-F66 HydrophobicContact CB-CD1 4.42Å; L38-F66 HydrophobicContact CB-CE1 3.72Å; L38-F66 HydrophobicContact CB-CZ 3.73Å; F39-F66 HydrophobicContact CB-CB 4.08Å; F39-F66 HydrophobicContact CB-CD1 3.88Å; F39-F66 HydrophobicContact CB-CD2 4.26Å; F39-F66 HydrophobicContact CB-CE1 4.39Å; F39-F66 HydrophobicContact CB-CG 3.81Å; F39-F66 HydrophobicContact CD2-CB 3.44Å; F39-F66 VanDerWaalsContact CD2-CB 3.44Å; F39-F66 AromaticContact CD2-CD2 3.99Å; F39-F66 HydrophobicContact CD2-CD2 3.99Å; F39-F66 AromaticContact CD2-CG 3.82Å; F39-F66 HydrophobicContact CD2-CG 3.82Å; F39-F66 HydrophobicContact CE2-CB 4.23Å; F39-F66 HydrophobicContact CG-CB 4.08Å; F39-F66 HydrophobicContact CG-CG 4.27Å; A42-F66 HydrophobicContact CB-CE2 4.25Å; I62-F66 HydrophobicContact CG2-CD2 4.37Å; I62-F66 WeakPolarHBondContact O-CB 3.43Å; I62-F66 PolarHBondContact O-N 2.64Å; F66-K73 HydrophobicContact CD1-CB 4.22Å; F66-K73 HydrophobicContact CE1-CB 4.34Å; F66-K73 HydrophobicContact CE1-CD 4.35Å; F66-E74 CarbonylContact O-C 3.58Å; F66-E74 WeakPolarHBondContact O-CA 3.19Å; F66-V75 HydrophobicContact CB-CG1 4.3Å; F66-V75 HydrophobicContact CB-CG2 4.38Å; F66-V75 HydrophobicContact CD1-CG1 4.45Å; F66-V75 WeakPolarHBondContact O-CG2 3.48Å; F66-V75 PolarHBondContact O-N 3.49Å
67V95.3Very high95.2Very high2 Ų266.2 Ų66.21%0.01234%0.336CS..Iπ-helixtrans-107.5-33.3-174.5-1770000112.2F39 Y63 I69 L77 V85 F97F39-V67 HydrophobicContact CE2-CG2 4.13Å; Y63-V67 HydrophobicContact CD2-CB 3.81Å; Y63-V67 HydrophobicContact CD2-CG1 3.81Å; Y63-V67 HydrophobicContact CD2-CG2 4.41Å; Y63-V67 HydrophobicContact CE2-CB 4.09Å; Y63-V67 HydrophobicContact CE2-CG1 3.63Å; Y63-V67 HydrophobicContact CG-CB 4.24Å; Y63-V67 CarbonylContact O-C 3.35Å; Y63-V67 WeakPolarHBondContact O-CA 3.5Å; Y63-V67 WeakPolarHBondContact O-CB 3.49Å; Y63-V67 PolarHBondContact O-N 2.97Å; V67-I69 PolarHBondContact O-N 2.87Å; V67-L77 HydrophobicContact CG1-CD1 4.31Å; V67-L77 HydrophobicContact CG2-CD1 4.38Å; V67-V85 HydrophobicContact CG1-CG1 4.01Å; V67-V85 HydrophobicContact CG2-CG1 4.36Å; V67-F97 HydrophobicContact CG2-CD1 4.33Å; V67-F97 HydrophobicContact CG2-CE1 4.08Å
68S93.9Very high95.1Very high25 Ų2563.6 Ų63.618%0.17533%0.326CS..SBendtrans-59.3132179.5-179.30000111.1Y63 L70 S71Y63-S68 PolarHBondContact O-N 3.48Å; S68-L70 PolarHBondContact O-N 3.27Å; S68-L70 PolarHBondContact OG-N 3.13Å; S68-S71 VanDerWaalsContact O-CB 3.26Å; S68-S71 WeakPolarHBondContact O-CB 3.49Å; S68-S71 PolarHBondContact O-N 2.88Å
69I91.7Very high95Very high120 Ų12065.3 Ų65.362%0.61535%0.347SS*.THydrogen-bonded Turntrans-63.9-10.6173.263.4170.6000113.5V67V67-I69 PolarHBondContact O-N 2.87Å
70L93Very high94.9Very high155 Ų15573.4 Ų73.481%0.81238%0.377SS*.THydrogen-bonded Turntrans-94.2-5.3175.8-58.7178.7000111.9S68S68-L70 PolarHBondContact O-N 3.27Å; S68-L70 PolarHBondContact OG-N 3.13Å
71S93.3Very high94.8Very high17 Ų1767 Ų6712%0.11935%0.354CS..  trans-78.6134.9-179.4-175.60000111.6E64 D65 S68 K73 E74E64-S71 VanDerWaalsContact O-CB 3.32Å; E64-S71 WeakPolarHBondContact O-CB 3.45Å; D65-S71 VanDerWaalsContact C-OG 3.27Å; D65-S71 WeakPolarHBondContact O-CB 3.42Å; D65-S71 PolarHBondContact O-OG 3.4Å; S68-S71 VanDerWaalsContact O-CB 3.26Å; S68-S71 WeakPolarHBondContact O-CB 3.49Å; S68-S71 PolarHBondContact O-N 2.88Å; S71-K73 PolarHBondContact O-N 2.88Å; S71-K73 PolarHBondContact OG-N 2.93Å; S71-E74 PolarHBondContact O-N 2.87Å
72P92Very high94.8Very high135 Ų13566 Ų6688%0.87735%0.345SS*.THydrogen-bonded Turntrans-67.5-12.8168.330.4-35.9000113.3
73K93.6Very high94.7Very high96 Ų9671.3 Ų71.342%0.41737%0.37SS..THydrogen-bonded Turntrans-114.627.9178.7-63.5-175.1178.4-171.70112E35 D65 F66 S71 V75E35-K73 HydrophobicContact CB-CB 3.98Å; E35-K73 WeakPolarHBondContact CB-O 3.17Å; D65-K73 WeakPolarHBondContact O-CB 3.41Å; F66-K73 HydrophobicContact CD1-CB 4.22Å; F66-K73 HydrophobicContact CE1-CB 4.34Å; F66-K73 HydrophobicContact CE1-CD 4.35Å; S71-K73 PolarHBondContact O-N 2.88Å; S71-K73 PolarHBondContact OG-N 2.93Å; K73-V75 PolarHBondContact O-N 3.38Å
74E94.5Very high94.6Very high70 Ų7070.2 Ų70.233%0.32737%0.368SS..  trans-55.4121.9176.6-176.1-172.817600110.6F66 S71 R82F66-E74 CarbonylContact O-C 3.58Å; F66-E74 WeakPolarHBondContact O-CA 3.19Å; S71-E74 PolarHBondContact O-N 2.87Å; E74-R82 IonicContact OE1-CZ 3.49Å; E74-R82 IonicContact OE1-NH1 2.62Å; E74-R82 PolarHBondContact OE1-NH1 3.46Å; E74-R82 IonicContact OE1-NH2 3.83Å; E74-R82 PolarHBondContact OE1-NH2 3.11Å
75V95.6Very high94.6Very high0 Ų065.8 Ų65.80%035%0.347CS..  trans-78.2141.8172.5-67.50000110.5E35 F39 F66 K73 L77 I104E35-V75 HydrophobicContact CB-CG1 4.28Å; E35-V75 HydrophobicContact CG-CG1 3.97Å; F39-V75 HydrophobicContact CB-CG1 3.71Å; F39-V75 HydrophobicContact CD1-CG1 4.33Å; F39-V75 HydrophobicContact CD1-CG2 4.24Å; F39-V75 HydrophobicContact CD2-CG2 4.43Å; F39-V75 HydrophobicContact CE1-CG2 4.43Å; F39-V75 HydrophobicContact CG-CG1 4.02Å; F39-V75 HydrophobicContact CG-CG2 4.22Å; F66-V75 HydrophobicContact CB-CG1 4.3Å; F66-V75 HydrophobicContact CB-CG2 4.38Å; F66-V75 HydrophobicContact CD1-CG1 4.45Å; F66-V75 WeakPolarHBondContact O-CG2 3.48Å; F66-V75 PolarHBondContact O-N 3.49Å; K73-V75 PolarHBondContact O-N 3.38Å; V75-L77 HydrophobicContact CG2-CD1 3.97Å; V75-L77 HydrophobicContact CG2-CD2 4.14Å; V75-L77 HydrophobicContact CG2-CG 3.81Å; V75-L77 PolarHBondContact O-N 3.43Å; V75-I104 HydrophobicContact CB-CD1 3.73Å; V75-I104 HydrophobicContact CB-CG1 4.12Å; V75-I104 HydrophobicContact CG1-CD1 4.45Å; V75-I104 HydrophobicContact CG2-CD1 4.11Å; V75-I104 HydrophobicContact CG2-CG1 4.15Å
76S93.6Very high94.5Very high89 Ų8965.2 Ų65.262%0.62234%0.344SS*.  trans-72.895.3178.2177.90000110.9
77L94.6Very high94.4Very high16 Ų1669.6 Ų69.68%0.08437%0.368CS..  trans-104.1147.4175.3-61.9173.7000111.2V67 V75 V81 A100 Q103 I104V67-L77 HydrophobicContact CG1-CD1 4.31Å; V67-L77 HydrophobicContact CG2-CD1 4.38Å; V75-L77 HydrophobicContact CG2-CD1 3.97Å; V75-L77 HydrophobicContact CG2-CD2 4.14Å; V75-L77 HydrophobicContact CG2-CG 3.81Å; V75-L77 PolarHBondContact O-N 3.43Å; L77-V81 HydrophobicContact CD2-CG1 4.1Å; L77-A100 HydrophobicContact CD1-CB 3.92Å; L77-A100 HydrophobicContact CD2-CB 3.77Å; L77-Q103 VanDerWaalsContact CA-OE1 3.28Å; L77-Q103 HydrophobicContact CD2-CB 4.5Å; L77-Q103 HydrophobicContact CD2-CG 4.33Å; L77-I104 HydrophobicContact CD2-CD1 3.75Å; L77-I104 HydrophobicContact CD2-CG1 3.78Å
78D94.5Very high94.4Very high65 Ų6572.1 Ų72.135%0.34838%0.382SS..  trans-68.3158.2168.275.649.7000111.1R80 V81 R82 Q103D78-R80 VanDerWaalsContact C-N 3.25Å; D78-R80 PolarHBondContact O-N 3.44Å; D78-R80 WeakPolarHBondContact OD1-CA 3.22Å; D78-R80 WeakPolarHBondContact OD1-CB 3.49Å; D78-R80 PolarHBondContact OD1-N 3.45Å; D78-V81 PolarHBondContact O-N 2.95Å; D78-V81 WeakPolarHBondContact OD1-CB 3.32Å; D78-V81 VanDerWaalsContact OD1-CG2 3.3Å; D78-V81 WeakPolarHBondContact OD1-CG2 3.46Å; D78-V81 PolarHBondContact OD1-N 2.76Å; D78-V81 WeakPolarHBondContact OD2-CG2 3.32Å; D78-R82 WeakPolarHBondContact O-CB 3.45Å; D78-R82 PolarHBondContact O-N 2.85Å; D78-Q103 VanDerWaalsContact CG-NE2 3.29Å; D78-Q103 PolarHBondContact OD2-NE2 3.34Å
79S94.2Very high94.4Very high104 Ų10472.8 Ų72.873%0.72738%0.382SS*.Hα-helixtrans-61.8-33.2-175.357.10000113.2E83S79-E83 WeakPolarHBondContact O-CB 3.35Å; S79-E83 PolarHBondContact O-N 3.27Å
80R95.4Very high94.5Very high171 Ų17171.2 Ų71.265%0.64539%0.387SS*.Hα-helixtrans-71.1-46.8-178.5171.9-176.3169177.2-2.1110.5D78 R82 E83 I84D78-R80 VanDerWaalsContact C-N 3.25Å; D78-R80 PolarHBondContact O-N 3.44Å; D78-R80 WeakPolarHBondContact OD1-CA 3.22Å; D78-R80 WeakPolarHBondContact OD1-CB 3.49Å; D78-R80 PolarHBondContact OD1-N 3.45Å; R80-R82 VanDerWaalsContact C-N 3.32Å; R80-E83 WeakPolarHBondContact O-CB 3.36Å; R80-E83 PolarHBondContact O-N 3.2Å; R80-I84 HydrophobicContact CG-CD1 4.05Å; R80-I84 WeakPolarHBondContact O-CG1 3.49Å; R80-I84 PolarHBondContact O-N 2.87Å
81V95.4Very high94.5Very high9 Ų974.2 Ų74.26%0.05539%0.388CS..Hα-helixtrans-63.8-41.7178.1170.30000110.1L77 D78 E83 I84 V85 E99 A100L77-V81 HydrophobicContact CD2-CG1 4.1Å; D78-V81 PolarHBondContact O-N 2.95Å; D78-V81 WeakPolarHBondContact OD1-CB 3.32Å; D78-V81 VanDerWaalsContact OD1-CG2 3.3Å; D78-V81 WeakPolarHBondContact OD1-CG2 3.46Å; D78-V81 PolarHBondContact OD1-N 2.76Å; D78-V81 WeakPolarHBondContact OD2-CG2 3.32Å; V81-E83 VanDerWaalsContact C-N 3.35Å; V81-E83 PolarHBondContact O-N 3.38Å; V81-I84 PolarHBondContact O-N 2.78Å; V81-V85 WeakPolarHBondContact O-CG2 3.44Å; V81-V85 PolarHBondContact O-N 3.47Å; V81-E99 HydrophobicContact CG1-CB 4.31Å; V81-E99 HydrophobicContact CG2-CB 4.37Å; V81-A100 HydrophobicContact CG1-CB 3.68Å
82R95.2Very high94.6Very high56 Ų5674.6 Ų74.621%0.21139%0.389CS..Hα-helixtrans-59.5-44.2173.6-178.7167.5-65.3179.3-0.2112.3E74 D78 R80 I84 V85 N86E74-R82 IonicContact OE1-CZ 3.49Å; E74-R82 IonicContact OE1-NH1 2.62Å; E74-R82 PolarHBondContact OE1-NH1 3.46Å; E74-R82 IonicContact OE1-NH2 3.83Å; E74-R82 PolarHBondContact OE1-NH2 3.11Å; D78-R82 WeakPolarHBondContact O-CB 3.45Å; D78-R82 PolarHBondContact O-N 2.85Å; R80-R82 VanDerWaalsContact C-N 3.32Å; R82-I84 VanDerWaalsContact C-N 3.33Å; R82-I84 PolarHBondContact O-N 2.84Å; R82-V85 PolarHBondContact O-N 3.2Å; R82-N86 WeakPolarHBondContact O-CB 3.45Å; R82-N86 PolarHBondContact O-N 3.44Å; R82-N86 PolarHBondContact O-ND2 2.96Å
83E95.2Very high94.7Very high120 Ų12071.5 Ų71.556%0.56137%0.366SS*.Hα-helixtrans-61.6-42176.3-174.3178-16900111.9S79 R80 V81 N86 N87S79-E83 WeakPolarHBondContact O-CB 3.35Å; S79-E83 PolarHBondContact O-N 3.27Å; R80-E83 WeakPolarHBondContact O-CB 3.36Å; R80-E83 PolarHBondContact O-N 3.2Å; V81-E83 VanDerWaalsContact C-N 3.35Å; V81-E83 PolarHBondContact O-N 3.38Å; E83-N86 PolarHBondContact O-N 3.46Å; E83-N87 WeakPolarHBondContact O-CB 3.46Å; E83-N87 VanDerWaalsContact O-CG 3.27Å; E83-N87 PolarHBondContact O-N 3.03Å; E83-N87 PolarHBondContact O-ND2 3.47Å
84I95.2Very high94.8Very high38 Ų3867.8 Ų67.820%0.19535%0.353CS..Hα-helixtrans-62.4-45.7177.1-70.1166.2000111.2R80 V81 R82 N87 N88 E99R80-I84 HydrophobicContact CG-CD1 4.05Å; R80-I84 WeakPolarHBondContact O-CG1 3.49Å; R80-I84 PolarHBondContact O-N 2.87Å; V81-I84 PolarHBondContact O-N 2.78Å; R82-I84 VanDerWaalsContact C-N 3.33Å; R82-I84 PolarHBondContact O-N 2.84Å; I84-N87 PolarHBondContact O-N 3.37Å; I84-N88 WeakPolarHBondContact O-CB 3.48Å; I84-N88 VanDerWaalsContact O-CG 3.22Å; I84-N88 PolarHBondContact O-N 3.14Å; I84-N88 PolarHBondContact O-ND2 3.4Å; I84-E99 WeakPolarHBondContact CD1-OE2 3.25Å
85V95.9Very high94.8Very high1 Ų169.8 Ų69.81%0.00636%0.362CS..Hα-helixtrans-60.7-47.3175.1174.20000110.7Y63 V67 V81 R82 N87 N88 M89 F97 A100Y63-V85 HydrophobicContact CD2-CG1 3.91Å; Y63-V85 HydrophobicContact CE2-CG1 4.11Å; V67-V85 HydrophobicContact CG1-CG1 4.01Å; V67-V85 HydrophobicContact CG2-CG1 4.36Å; V81-V85 WeakPolarHBondContact O-CG2 3.44Å; V81-V85 PolarHBondContact O-N 3.47Å; R82-V85 PolarHBondContact O-N 3.2Å; V85-N87 VanDerWaalsContact C-N 3.28Å; V85-N87 PolarHBondContact O-N 3.03Å; V85-N88 PolarHBondContact O-N 3.24Å; V85-N88 VanDerWaalsContact O-N 3.14Å; V85-M89 HydrophobicContact CG1-CG 4.34Å; V85-M89 WeakPolarHBondContact O-CG 3.21Å; V85-M89 PolarHBondContact O-N 3Å; V85-F97 HydrophobicContact CG1-CD1 3.71Å; V85-F97 HydrophobicContact CG1-CE1 3.52Å; V85-F97 HydrophobicContact CG2-CD1 4.17Å; V85-A100 HydrophobicContact CG2-CB 3.82Å
86N94.8Very high94.8Very high66 Ų6669.9 Ų69.935%0.35336%0.363SS..Hα-helixtrans-57.5-40.7178.1-71.6-17.2000112.4Y63 R82 E83 M89Y63-N86 WeakPolarHBondContact CE2-OD1 3.29Å; Y63-N86 PolarHBondContact OH-OD1 3.46Å; R82-N86 WeakPolarHBondContact O-CB 3.45Å; R82-N86 PolarHBondContact O-N 3.44Å; R82-N86 PolarHBondContact O-ND2 2.96Å; E83-N86 PolarHBondContact O-N 3.46Å; N86-M89 PolarHBondContact O-N 3.26Å
87N95.6Very high95Very high106 Ų10665.8 Ų65.857%0.56733%0.334SS*.Hα-helixtrans-68.1-42.4176.5-71.1-28.7000111.8E83 I84 V85 M89 A90E83-N87 WeakPolarHBondContact O-CB 3.46Å; E83-N87 VanDerWaalsContact O-CG 3.27Å; E83-N87 PolarHBondContact O-N 3.03Å; E83-N87 PolarHBondContact O-ND2 3.47Å; I84-N87 PolarHBondContact O-N 3.37Å; V85-N87 VanDerWaalsContact C-N 3.28Å; V85-N87 PolarHBondContact O-N 3.03Å; N87-M89 VanDerWaalsContact C-N 3.27Å; N87-M89 PolarHBondContact O-N 2.56Å; N87-A90 WeakPolarHBondContact O-CB 3.41Å; N87-A90 PolarHBondContact O-N 3.12Å
88N94.4Very high95.1Very high56 Ų5667.7 Ų67.730%0.29934%0.344SS..Hα-helixtrans-66.4-29.2178.2-69.3-17.9000112.4I84 V85 A90 R91 T96I84-N88 WeakPolarHBondContact O-CB 3.48Å; I84-N88 VanDerWaalsContact O-CG 3.22Å; I84-N88 PolarHBondContact O-N 3.14Å; I84-N88 PolarHBondContact O-ND2 3.4Å; V85-N88 PolarHBondContact O-N 3.24Å; V85-N88 VanDerWaalsContact O-N 3.14Å; N88-A90 PolarHBondContact O-N 3.38Å; N88-A90 VanDerWaalsContact O-N 3.13Å; N88-R91 CarbonylContact O-C 3.54Å; N88-R91 PolarHBondContact O-N 3.09Å; N88-T96 HydrophobicContact CB-CG2 3.77Å; N88-T96 PolarHBondContact ND2-O 3.49Å
89M94.5Very high95.2Very high39 Ų3968.9 Ų68.919%0.19235%0.347CS..THydrogen-bonded Turntrans-63.5-15.4177.2-75.5-55.9-64.100114A59 R60 Y63 V85 N86 N87 R91 P92 T96 F97A59-M89 HydrophobicContact CB-SD 4.35Å; R60-M89 HydrophobicContact CG-CE 4.15Å; Y63-M89 HydrophobicContact CD2-CE 4.42Å; Y63-M89 HydrophobicContact CD2-CG 3.49Å; Y63-M89 VanDerWaalsContact CD2-CG 3.49Å; Y63-M89 HydrophobicContact CD2-SD 4.06Å; Y63-M89 HydrophobicContact CE2-CG 3.9Å; Y63-M89 HydrophobicContact CG-CE 4.12Å; Y63-M89 HydrophobicContact CG-CG 4.13Å; Y63-M89 HydrophobicContact CG-SD 4.29Å; V85-M89 HydrophobicContact CG1-CG 4.34Å; V85-M89 WeakPolarHBondContact O-CG 3.21Å; V85-M89 PolarHBondContact O-N 3Å; N86-M89 PolarHBondContact O-N 3.26Å; N87-M89 VanDerWaalsContact C-N 3.27Å; N87-M89 PolarHBondContact O-N 2.56Å; M89-R91 PolarHBondContact O-N 3.15Å; M89-P92 HydrophobicContact CE-CG 4.2Å; M89-P92 WeakPolarHBondContact O-CD 3.38Å; M89-P92 HydrophobicContact SD-CG 4.28Å; M89-T96 HydrophobicContact CG-CG2 4.48Å; M89-T96 HydrophobicContact SD-CG2 3.83Å; M89-F97 HydrophobicContact SD-CE1 4.4Å; M89-F97 HydrophobicContact SD-CZ 3.9Å
90A94.3Very high95.3Very high86 Ų8663.9 Ų63.971%0.71131%0.313SS*.THydrogen-bonded Turntrans-64.9-29.3170.100000112.6N87 N88N87-A90 WeakPolarHBondContact O-CB 3.41Å; N87-A90 PolarHBondContact O-N 3.12Å; N88-A90 PolarHBondContact O-N 3.38Å; N88-A90 VanDerWaalsContact O-N 3.13Å
91R93.3Very high95.4Very high219 Ų21956.1 Ų56.183%0.82628%0.283SS*.SBendtrans-145.876.9175-68.1-171.6176.8-165.2-1.8109.9N88 M89 N93N88-R91 CarbonylContact O-C 3.54Å; N88-R91 PolarHBondContact O-N 3.09Å; M89-R91 PolarHBondContact O-N 3.15Å; R91-N93 PolarHBondContact O-N 3.33Å
92P94.5Very high95.4Very high24 Ų2458.3 Ų58.316%0.15630%0.302CS..  trans-61.2138.4-175.4-18.329.8000111.7E56 A59 M89 T96E56-P92 HydrophobicContact CG-CG 4.42Å; A59-P92 HydrophobicContact CB-CB 3.52Å; A59-P92 HydrophobicContact CB-CG 4.28Å; M89-P92 HydrophobicContact CE-CG 4.2Å; M89-P92 WeakPolarHBondContact O-CD 3.38Å; M89-P92 HydrophobicContact SD-CG 4.28Å; P92-T96 WeakPolarHBondContact CA-OG1 3.27Å
93N94.5Very high95.4Very high71 Ų7157.9 Ų57.938%0.3830%0.303SS..  trans-135.5178.9171.964.263.7000110.5I55 R91 H95 T96I55-N93 VanDerWaalsContact CG2-C 3.45Å; R91-N93 PolarHBondContact O-N 3.33Å; N93-H95 PolarHBondContact O-N 2.62Å; N93-H95 VanDerWaalsContact OD1-CA 3.31Å; N93-H95 WeakPolarHBondContact OD1-CA 3.28Å; N93-H95 VanDerWaalsContact OD1-CB 3.31Å; N93-H95 WeakPolarHBondContact OD1-CB 3.48Å; N93-H95 PolarHBondContact OD1-N 2.91Å; N93-T96 PolarHBondContact N-OG1 2.87Å; N93-T96 WeakPolarHBondContact O-CB 3.43Å; N93-T96 PolarHBondContact O-N 3.26Å; N93-T96 VanDerWaalsContact O-N 3.15Å; N93-T96 PolarHBondContact O-OG1 2.88Å; N93-T96 PolarHBondContact OD1-N 3.24Å
94A95.2Very high95.5Very high18 Ų1852.2 Ų52.215%0.14928%0.276CS..THydrogen-bonded Turntrans-59.4-18.3-179.200000114.7K47 I55K47-A94 WeakPolarHBondContact CG-O 3.45Å; I55-A94 HydrophobicContact CD1-CB 4.41Å
95H95Very high95.4Very high112 Ų11252.2 Ų52.252%0.51927%0.274SS..THydrogen-bonded Turntrans-108.68.3-176.3-58.3-73.9000113.3N93 F97 D98N93-H95 PolarHBondContact O-N 2.62Å; N93-H95 VanDerWaalsContact OD1-CA 3.31Å; N93-H95 WeakPolarHBondContact OD1-CA 3.28Å; N93-H95 VanDerWaalsContact OD1-CB 3.31Å; N93-H95 WeakPolarHBondContact OD1-CB 3.48Å; N93-H95 PolarHBondContact OD1-N 2.91Å; H95-F97 PolarHBondContact O-N 3.45Å; H95-D98 WeakPolarHBondContact CB-OD2 3.33Å; H95-D98 IonicContact CG-OD2 3.9Å; H95-D98 IonicContact ND1-OD1 2.79Å; H95-D98 IonicContact ND1-OD2 3.51Å; H95-D98 PolarHBondContact ND1-OD2 3.5Å; H95-D98 PolarHBondContact O-N 3.38Å; H95-D98 VanDerWaalsContact O-N 3.13Å
96T95.7Very high95.4Very high2 Ų254.6 Ų54.61%0.01229%0.289CS..THydrogen-bonded Turntrans-50-37.7-177.5-60.30000112.9N88 M89 P92 N93N88-T96 HydrophobicContact CB-CG2 3.77Å; N88-T96 PolarHBondContact ND2-O 3.49Å; M89-T96 HydrophobicContact CG-CG2 4.48Å; M89-T96 HydrophobicContact SD-CG2 3.83Å; P92-T96 WeakPolarHBondContact CA-OG1 3.27Å; N93-T96 PolarHBondContact N-OG1 2.87Å; N93-T96 WeakPolarHBondContact O-CB 3.43Å; N93-T96 PolarHBondContact O-N 3.26Å; N93-T96 VanDerWaalsContact O-N 3.15Å; N93-T96 PolarHBondContact O-OG1 2.88Å; N93-T96 PolarHBondContact OD1-N 3.24Å
97F97.2Very high95.3Very high3 Ų354.5 Ų54.51%0.01329%0.288CS..THydrogen-bonded Turntrans-107.112.7-173.2-54.8-75.8000113.8F39 C43 L46 A59 I62 V67 V85 M89 H95 E99 A100 Q101F39-F97 HydrophobicContact CE2-CD1 4.21Å; F39-F97 HydrophobicContact CE2-CG 4.46Å; F39-F97 HydrophobicContact CZ-CB 4.15Å; F39-F97 HydrophobicContact CZ-CD1 4.34Å; F39-F97 HydrophobicContact CZ-CG 4.48Å; C43-F97 VanDerWaalsContact SG-CB 3.57Å; L46-F97 HydrophobicContact CD2-CD2 3.56Å; L46-F97 HydrophobicContact CD2-CE2 3.69Å; A59-F97 HydrophobicContact CB-CE2 3.85Å; A59-F97 HydrophobicContact CB-CZ 4.21Å; A59-F97 WeakPolarHBondContact O-CZ 3.36Å; I62-F97 HydrophobicContact CB-CE2 3.91Å; I62-F97 HydrophobicContact CB-CZ 3.91Å; I62-F97 HydrophobicContact CD1-CD2 4.38Å; I62-F97 HydrophobicContact CD1-CE2 4.15Å; I62-F97 HydrophobicContact CG2-CD1 4.13Å; I62-F97 HydrophobicContact CG2-CD2 3.96Å; I62-F97 HydrophobicContact CG2-CE1 3.86Å; I62-F97 HydrophobicContact CG2-CE2 3.71Å; I62-F97 HydrophobicContact CG2-CG 4.18Å; I62-F97 HydrophobicContact CG2-CZ 3.66Å; V67-F97 HydrophobicContact CG2-CD1 4.33Å; V67-F97 HydrophobicContact CG2-CE1 4.08Å; V85-F97 HydrophobicContact CG1-CD1 3.71Å; V85-F97 HydrophobicContact CG1-CE1 3.52Å; V85-F97 HydrophobicContact CG2-CD1 4.17Å; M89-F97 HydrophobicContact SD-CE1 4.4Å; M89-F97 HydrophobicContact SD-CZ 3.9Å; H95-F97 PolarHBondContact O-N 3.45Å; F97-E99 VanDerWaalsContact C-N 3.34Å; F97-E99 PolarHBondContact O-N 3.34Å; F97-A100 PolarHBondContact O-N 2.92Å; F97-A100 VanDerWaalsContact O-N 3.15Å; F97-Q101 VanDerWaalsContact O-CB 3.29Å; F97-Q101 WeakPolarHBondContact O-CB 3.41Å; F97-Q101 PolarHBondContact O-N 3.41Å
98D96.7Very high95.3Very high55 Ų5549.5 Ų49.529%0.29426%0.261SS..Hα-helixtrans-56.8-44.5-173-85.2-4.1000113.1K47 H95 A102K47-D98 WeakPolarHBondContact CE-OD1 3.34Å; K47-D98 IonicContact NZ-OD1 2.86Å; K47-D98 PolarHBondContact NZ-OD1 3.42Å; H95-D98 WeakPolarHBondContact CB-OD2 3.33Å; H95-D98 IonicContact CG-OD2 3.9Å; H95-D98 IonicContact ND1-OD1 2.79Å; H95-D98 IonicContact ND1-OD2 3.51Å; H95-D98 PolarHBondContact ND1-OD2 3.5Å; H95-D98 PolarHBondContact O-N 3.38Å; H95-D98 VanDerWaalsContact O-N 3.13Å; D98-A102 WeakPolarHBondContact O-CB 3.43Å; D98-A102 PolarHBondContact O-N 3.26Å
99E96.1Very high95.2Very high90 Ų9050.4 Ų50.442%0.42126%0.264SS..Hα-helixtrans-68.4-41.4177.9-65.3-163.5-162.200112.3V81 I84 F97 A102 Q103V81-E99 HydrophobicContact CG1-CB 4.31Å; V81-E99 HydrophobicContact CG2-CB 4.37Å; I84-E99 WeakPolarHBondContact CD1-OE2 3.25Å; F97-E99 VanDerWaalsContact C-N 3.34Å; F97-E99 PolarHBondContact O-N 3.34Å; E99-A102 PolarHBondContact O-N 3.44Å; E99-Q103 PolarHBondContact O-N 2.91Å
100A96.9Very high95.1Very high0 Ų058.2 Ų58.20%029%0.291CS..Hα-helixtrans-63.7-44.5176.700000111.6F39 L77 V81 V85 F97 A102 Q103 I104F39-A100 HydrophobicContact CE1-CB 4.03Å; F39-A100 HydrophobicContact CZ-CB 3.68Å; L77-A100 HydrophobicContact CD1-CB 3.92Å; L77-A100 HydrophobicContact CD2-CB 3.77Å; V81-A100 HydrophobicContact CG1-CB 3.68Å; V85-A100 HydrophobicContact CG2-CB 3.82Å; F97-A100 PolarHBondContact O-N 2.92Å; F97-A100 VanDerWaalsContact O-N 3.15Å; A100-A102 VanDerWaalsContact C-N 3.34Å; A100-A102 PolarHBondContact O-N 2.93Å; A100-Q103 PolarHBondContact O-N 2.96Å; A100-I104 WeakPolarHBondContact O-CG1 3.38Å; A100-I104 PolarHBondContact O-N 2.7Å
101Q97.1Very high94.9Very high7 Ų758 Ų583%0.03328%0.278CS..Hα-helixtrans-62.2-41.8177.4-169.6-172.713.100111.4F39 W40 C43 E44 F97 Q103 I104 Y105F39-Q101 HydrophobicContact CE1-CB 4.48Å; W40-Q101 HydrophobicContact CG-CG 4.15Å; W40-Q101 PolarHBondContact O-NE2 2.97Å; C43-Q101 HydrophobicContact CB-CB 4.14Å; C43-Q101 VanDerWaalsContact CB-CD 3.42Å; C43-Q101 HydrophobicContact CB-CG 3.83Å; E44-Q101 PolarHBondContact OE1-NE2 3.21Å; F97-Q101 VanDerWaalsContact O-CB 3.29Å; F97-Q101 WeakPolarHBondContact O-CB 3.41Å; F97-Q101 PolarHBondContact O-N 3.41Å; Q101-Q103 VanDerWaalsContact C-N 3.35Å; Q101-I104 PolarHBondContact O-N 3.19Å; Q101-Y105 VanDerWaalsContact O-CB 3.25Å; Q101-Y105 WeakPolarHBondContact O-CB 2.99Å; Q101-Y105 PolarHBondContact O-N 3.33Å
102A96.3Very high94.8Very high55 Ų5547.7 Ų47.746%0.45524%0.24SC..Hα-helixtrans-64.4-39.317700000112.4D98 E99 A100 T106D98-A102 WeakPolarHBondContact O-CB 3.43Å; D98-A102 PolarHBondContact O-N 3.26Å; E99-A102 PolarHBondContact O-N 3.44Å; A100-A102 VanDerWaalsContact C-N 3.34Å; A100-A102 PolarHBondContact O-N 2.93Å; A102-T106 WeakPolarHBondContact O-CB 3.34Å; A102-T106 PolarHBondContact O-N 3.3Å; A102-T106 PolarHBondContact O-OG1 2.91Å
103Q95.8Very high94.7Very high48 Ų4847.8 Ų47.822%0.22424%0.237CC..Hα-helixtrans-63.7-49.6174.7171.2160.165.800111.8L77 D78 E99 A100 Q101 Y105 T106 L107L77-Q103 VanDerWaalsContact CA-OE1 3.28Å; L77-Q103 HydrophobicContact CD2-CB 4.5Å; L77-Q103 HydrophobicContact CD2-CG 4.33Å; D78-Q103 VanDerWaalsContact CG-NE2 3.29Å; D78-Q103 PolarHBondContact OD2-NE2 3.34Å; E99-Q103 PolarHBondContact O-N 2.91Å; A100-Q103 PolarHBondContact O-N 2.96Å; Q101-Q103 VanDerWaalsContact C-N 3.35Å; Q103-Y105 VanDerWaalsContact C-N 3.32Å; Q103-Y105 PolarHBondContact O-N 3.31Å; Q103-T106 WeakPolarHBondContact O-CB 3.33Å; Q103-T106 PolarHBondContact O-N 3.21Å; Q103-L107 PolarHBondContact O-N 3.05Å
104I95.7Very high94.5Very high0 Ų047.7 Ų47.70%024%0.241CC..Hα-helixtrans-65.5-36.6179.1-63-51.7000111.5N36 F39 V75 L77 A100 Q101 T106 L107 M108N36-I104 HydrophobicContact CB-CG2 3.65Å; N36-I104 VanDerWaalsContact O-CG2 3.32Å; N36-I104 WeakPolarHBondContact O-CG2 3.49Å; F39-I104 HydrophobicContact CD1-CB 4.01Å; F39-I104 HydrophobicContact CD1-CG1 3.73Å; F39-I104 HydrophobicContact CD1-CG2 4.14Å; F39-I104 HydrophobicContact CE1-CB 4.28Å; F39-I104 HydrophobicContact CE1-CG1 3.82Å; V75-I104 HydrophobicContact CB-CD1 3.73Å; V75-I104 HydrophobicContact CB-CG1 4.12Å; V75-I104 HydrophobicContact CG1-CD1 4.45Å; V75-I104 HydrophobicContact CG2-CD1 4.11Å; V75-I104 HydrophobicContact CG2-CG1 4.15Å; L77-I104 HydrophobicContact CD2-CD1 3.75Å; L77-I104 HydrophobicContact CD2-CG1 3.78Å; A100-I104 WeakPolarHBondContact O-CG1 3.38Å; A100-I104 PolarHBondContact O-N 2.7Å; Q101-I104 PolarHBondContact O-N 3.19Å; I104-T106 VanDerWaalsContact C-N 3.34Å; I104-T106 PolarHBondContact O-N 3.34Å; I104-L107 HydrophobicContact CD1-CD2 4.17Å; I104-L107 WeakPolarHBondContact O-CB 3.36Å; I104-L107 PolarHBondContact O-N 2.94Å; I104-M108 HydrophobicContact CG2-CE 4.18Å; I104-M108 WeakPolarHBondContact O-CG 3.49Å; I104-M108 PolarHBondContact O-N 3.29Å
105Y95Very high94.3Very high38 Ų3851.5 Ų51.515%0.14925%0.251CS..Hα-helixtrans-58.6-46.7172-170.8-94.6000111.7F11 D12 M15 W40 Q101 Q103 L107 M108 Q109F11-Y105 HydrophobicContact CD1-CD1 4.21Å; F11-Y105 HydrophobicContact CD1-CD2 4.31Å; F11-Y105 AromaticContact CD1-CE1 3.62Å; F11-Y105 HydrophobicContact CD1-CE1 3.62Å; F11-Y105 AromaticContact CD1-CE2 3.75Å; F11-Y105 HydrophobicContact CD1-CE2 3.75Å; F11-Y105 AromaticContact CD1-CZ 3.35Å; F11-Y105 HydrophobicContact CE1-CD1 4.04Å; F11-Y105 AromaticContact CE1-CD2 3.6Å; F11-Y105 HydrophobicContact CE1-CD2 3.6Å; F11-Y105 AromaticContact CE1-CE1 3.85Å; F11-Y105 HydrophobicContact CE1-CE1 3.85Å; F11-Y105 AromaticContact CE1-CE2 3.38Å; F11-Y105 HydrophobicContact CE1-CE2 3.38Å; F11-Y105 AromaticContact CE1-CG 3.94Å; F11-Y105 HydrophobicContact CE1-CG 3.94Å; F11-Y105 AromaticContact CE1-CZ 3.51Å; F11-Y105 WeakPolarHBondContact CE1-O 3.39Å; F11-Y105 HydrophobicContact CZ-CD2 4.46Å; F11-Y105 HydrophobicContact CZ-CE2 4.31Å; D12-Y105 VanDerWaalsContact CA-OH 3.27Å; D12-Y105 WeakPolarHBondContact CA-OH 3.17Å; D12-Y105 PolarHBondContact N-OH 3.31Å; D12-Y105 PolarHBondContact OD1-OH 3.48Å; M15-Y105 HydrophobicContact CB-CE2 3.99Å; M15-Y105 HydrophobicContact CG-CE2 3.81Å; W40-Y105 AromaticContact CD1-CD2 3.83Å; W40-Y105 HydrophobicContact CZ2-CE2 4.49Å; W40-Y105 AromaticContact NE1-CD2 3.38Å; Q101-Y105 VanDerWaalsContact O-CB 3.25Å; Q101-Y105 WeakPolarHBondContact O-CB 2.99Å; Q101-Y105 PolarHBondContact O-N 3.33Å; Q103-Y105 VanDerWaalsContact C-N 3.32Å; Q103-Y105 PolarHBondContact O-N 3.31Å; Y105-L107 VanDerWaalsContact C-N 3.34Å; Y105-L107 PolarHBondContact O-N 3.14Å; Y105-M108 PolarHBondContact O-N 3.15Å; Y105-Q109 VanDerWaalsContact O-CB 3.29Å; Y105-Q109 WeakPolarHBondContact O-CB 3.32Å; Y105-Q109 PolarHBondContact O-N 3.24Å
106T94.4Very high94Very high52 Ų5246.2 Ų46.232%0.31923%0.226SC..Hα-helixtrans-65.5-38177.9-57.10000111.8A102 Q103 I104 Q109 R110A102-T106 WeakPolarHBondContact O-CB 3.34Å; A102-T106 PolarHBondContact O-N 3.3Å; A102-T106 PolarHBondContact O-OG1 2.91Å; Q103-T106 WeakPolarHBondContact O-CB 3.33Å; Q103-T106 PolarHBondContact O-N 3.21Å; I104-T106 VanDerWaalsContact C-N 3.34Å; I104-T106 PolarHBondContact O-N 3.34Å; T106-Q109 PolarHBondContact O-N 3.43Å; T106-R110 HydrophobicContact CG2-CG 4.34Å; T106-R110 WeakPolarHBondContact O-CB 3.5Å; T106-R110 VanDerWaalsContact O-CG 3.3Å; T106-R110 WeakPolarHBondContact O-CG 3.46Å; T106-R110 PolarHBondContact O-N 3.13Å
107L94Very high93.6Very high64 Ų6448 Ų4834%0.33524%0.236SC..Hα-helixtrans-61-53.7175.5178.864.4000110.7Q103 I104 Y105 Q109 R110 D111Q103-L107 PolarHBondContact O-N 3.05Å; I104-L107 HydrophobicContact CD1-CD2 4.17Å; I104-L107 WeakPolarHBondContact O-CB 3.36Å; I104-L107 PolarHBondContact O-N 2.94Å; Y105-L107 VanDerWaalsContact C-N 3.34Å; Y105-L107 PolarHBondContact O-N 3.14Å; L107-Q109 VanDerWaalsContact C-N 3.3Å; L107-Q109 PolarHBondContact O-N 3.06Å; L107-R110 PolarHBondContact O-N 3.18Å; L107-D111 WeakPolarHBondContact O-CB 3.42Å; L107-D111 PolarHBondContact O-N 2.7Å
108M93.9Very high93Very high0 Ų050.1 Ų50.10%026%0.258CS..Iπ-helixtrans-58.3-42.5176.6-71.1-171.4-65.700111.8F11 M15 F24 L28 N36 I37 W40 I104 Y105 R110 S112 Y113F11-M108 HydrophobicContact CE1-CB 4.25Å; F11-M108 HydrophobicContact CE2-CB 4.36Å; F11-M108 HydrophobicContact CZ-CB 3.62Å; F11-M108 HydrophobicContact CZ-CE 4.24Å; M15-M108 HydrophobicContact CE-CE 4.27Å; F24-M108 HydrophobicContact CE1-CB 4.03Å; F24-M108 HydrophobicContact CE1-CG 4.24Å; F24-M108 HydrophobicContact CE1-SD 3.81Å; F24-M108 HydrophobicContact CZ-CB 4.14Å; L28-M108 HydrophobicContact CD1-SD 4.22Å; N36-M108 HydrophobicContact CB-CG 3.64Å; N36-M108 HydrophobicContact CB-SD 3.71Å; I37-M108 HydrophobicContact CB-SD 3.95Å; I37-M108 HydrophobicContact CG1-SD 4.5Å; W40-M108 HydrophobicContact CB-CE 3.9Å; W40-M108 HydrophobicContact CG-CE 4.14Å; I104-M108 HydrophobicContact CG2-CE 4.18Å; I104-M108 WeakPolarHBondContact O-CG 3.49Å; I104-M108 PolarHBondContact O-N 3.29Å; Y105-M108 PolarHBondContact O-N 3.15Å; M108-R110 VanDerWaalsContact C-N 3.33Å; M108-R110 PolarHBondContact O-N 2.76Å; M108-S112 PolarHBondContact O-N 2.99Å; M108-Y113 VanDerWaalsContact O-CB 3.26Å; M108-Y113 WeakPolarHBondContact O-CB 3.21Å; M108-Y113 PolarHBondContact O-N 3.05Å
109Q93.2Very high92.4Very high76 Ų7648.5 Ų48.536%0.35525%0.251SS..Iπ-helixtrans-63.2-36.8179.2-174.1178.312.100112.9F11 Y105 T106 L107 P114F11-Q109 HydrophobicContact CB-CB 4.46Å; F11-Q109 HydrophobicContact CB-CG 3.87Å; F11-Q109 HydrophobicContact CD1-CB 3.53Å; F11-Q109 HydrophobicContact CD1-CG 3.81Å; F11-Q109 HydrophobicContact CE1-CB 3.89Å; F11-Q109 HydrophobicContact CG-CB 4.05Å; F11-Q109 HydrophobicContact CG-CG 4.02Å; Y105-Q109 VanDerWaalsContact O-CB 3.29Å; Y105-Q109 WeakPolarHBondContact O-CB 3.32Å; Y105-Q109 PolarHBondContact O-N 3.24Å; T106-Q109 PolarHBondContact O-N 3.43Å; L107-Q109 VanDerWaalsContact C-N 3.3Å; L107-Q109 PolarHBondContact O-N 3.06Å; Q109-P114 WeakPolarHBondContact O-CD 3.23Å
110R92Very high91.4Very high202 Ų20249.5 Ų49.576%0.76226%0.256SS*.Iπ-helixtrans-88.7-32.3-174.3-73.5-178175.7-170.1-0.7113.6T106 L107 M108 P114T106-R110 HydrophobicContact CG2-CG 4.34Å; T106-R110 WeakPolarHBondContact O-CB 3.5Å; T106-R110 VanDerWaalsContact O-CG 3.3Å; T106-R110 WeakPolarHBondContact O-CG 3.46Å; T106-R110 PolarHBondContact O-N 3.13Å; L107-R110 PolarHBondContact O-N 3.18Å; M108-R110 VanDerWaalsContact C-N 3.33Å; M108-R110 PolarHBondContact O-N 2.76Å; R110-P114 WeakPolarHBondContact O-CG 3.48Å
111D91.1Very high90.4Very high81 Ų8153.3 Ų53.343%0.43327%0.272SS..Iπ-helixtrans-109.1-61.9-172.2-176.659000112.5L107 P114 R115L107-D111 WeakPolarHBondContact O-CB 3.42Å; L107-D111 PolarHBondContact O-N 2.7Å; D111-P114 WeakPolarHBondContact O-CD 3.42Å; D111-R115 PolarHBondContact O-NE 3.26Å; D111-R115 IonicContact OD2-CZ 2.7Å; D111-R115 IonicContact OD2-NE 3.8Å; D111-R115 IonicContact OD2-NH2 3.54Å; D111-R115 PolarHBondContact OD2-NH2 2.58Å
112S91.4Very high89.3Confident4 Ų453.1 Ų53.13%0.02827%0.272CS..Iπ-helixtrans-76.5-36.2-173.9-47.10000113.3F27 L28 M108 R115 F116F27-S112 WeakPolarHBondContact CE1-O 3.29Å; L28-S112 WeakPolarHBondContact CD2-OG 3.36Å; M108-S112 PolarHBondContact O-N 2.99Å; S112-R115 PolarHBondContact O-N 3.26Å; S112-F116 WeakPolarHBondContact O-CB 3.5Å; S112-F116 PolarHBondContact O-N 3.29Å
113Y91.3Very high88.2Confident25 Ų2555 Ų5510%0.09827%0.269CS..Hα-helixtrans-64.2-45.5-177.2170.6-106.8000113.1W7 S8 S10 F11 L14 M108 R115 F116 I117W7-Y113 VanDerWaalsContact O-CE2 3.28Å; W7-Y113 WeakPolarHBondContact O-CE2 3.47Å; W7-Y113 PolarHBondContact O-OH 3.21Å; S8-Y113 VanDerWaalsContact C-OH 3.28Å; S8-Y113 PolarHBondContact O-OH 3.32Å; S10-Y113 PolarHBondContact N-OH 3.4Å; F11-Y113 HydrophobicContact CB-CD1 4.07Å; F11-Y113 HydrophobicContact CB-CD2 4.16Å; F11-Y113 HydrophobicContact CB-CE1 4.1Å; F11-Y113 HydrophobicContact CB-CE2 4.15Å; F11-Y113 HydrophobicContact CB-CG 4.09Å; F11-Y113 HydrophobicContact CD2-CD1 4.41Å; F11-Y113 AromaticContact CD2-CD2 3.44Å; F11-Y113 HydrophobicContact CD2-CD2 3.44Å; F11-Y113 VanDerWaalsContact CD2-CD2 3.44Å; F11-Y113 HydrophobicContact CD2-CE2 4.08Å; F11-Y113 AromaticContact CD2-CG 3.61Å; F11-Y113 HydrophobicContact CD2-CG 3.61Å; F11-Y113 HydrophobicContact CE2-CD2 4.28Å; F11-Y113 HydrophobicContact CE2-CG 4.4Å; F11-Y113 HydrophobicContact CG-CD2 4.24Å; F11-Y113 HydrophobicContact CG-CG 4.16Å; F11-Y113 PolarHBondContact N-OH 3.43Å; L14-Y113 HydrophobicContact CD2-CD2 3.79Å; L14-Y113 HydrophobicContact CD2-CE2 3.99Å; M108-Y113 VanDerWaalsContact O-CB 3.26Å; M108-Y113 WeakPolarHBondContact O-CB 3.21Å; M108-Y113 PolarHBondContact O-N 3.05Å; Y113-R115 VanDerWaalsContact C-N 3.28Å; Y113-R115 PolarHBondContact O-N 2.83Å; Y113-F116 WeakPolarHBondContact O-CB 3.15Å; Y113-F116 PolarHBondContact O-N 3.4Å; Y113-I117 HydrophobicContact CD2-CD1 4.29Å; Y113-I117 HydrophobicContact CD2-CG1 3.95Å; Y113-I117 HydrophobicContact CE1-CG1 4.29Å; Y113-I117 HydrophobicContact CE2-CD1 3.69Å; Y113-I117 HydrophobicContact CE2-CG1 3.53Å; Y113-I117 WeakPolarHBondContact O-CG1 3.41Å; Y113-I117 PolarHBondContact O-N 3.45Å
114P90.3Very high87.1Confident70 Ų7058.3 Ų58.346%0.45529%0.285SS..Hα-helixtrans-58.4-39.7172.9-26.836.3000112.9Q109 R110 D111 G118Q109-P114 WeakPolarHBondContact O-CD 3.23Å; R110-P114 WeakPolarHBondContact O-CG 3.48Å; D111-P114 WeakPolarHBondContact O-CD 3.42Å; P114-G118 PolarHBondContact O-N 3.28Å
115R91Very high86Confident98 Ų9859.3 Ų59.337%0.3729%0.29SS..Hα-helixtrans-66.3-42.2175.9-65.9-172.3-76.5151.4-5.8111.5F27 E31 D111 S112 Y113 G118 S119F27-R115 HydrophobicContact CE1-CB 4.19Å; F27-R115 HydrophobicContact CZ-CB 3.69Å; E31-R115 IonicContact OE1-CZ 3.09Å; E31-R115 IonicContact OE1-NE 2.74Å; E31-R115 IonicContact OE1-NH1 2.8Å; E31-R115 PolarHBondContact OE1-NH1 3.32Å; E31-R115 IonicContact OE2-CZ 3.62Å; E31-R115 IonicContact OE2-NE 3.94Å; E31-R115 IonicContact OE2-NH1 3.39Å; E31-R115 PolarHBondContact OE2-NH1 3.37Å; E31-R115 IonicContact OE2-NH2 2.71Å; E31-R115 PolarHBondContact OE2-NH2 2.95Å; D111-R115 PolarHBondContact O-NE 3.26Å; D111-R115 IonicContact OD2-CZ 2.7Å; D111-R115 IonicContact OD2-NE 3.8Å; D111-R115 IonicContact OD2-NH2 3.54Å; D111-R115 PolarHBondContact OD2-NH2 2.58Å; S112-R115 PolarHBondContact O-N 3.26Å; Y113-R115 VanDerWaalsContact C-N 3.28Å; Y113-R115 PolarHBondContact O-N 2.83Å; R115-G118 CarbonylContact O-C 3.56Å; R115-G118 PolarHBondContact O-N 2.92Å; R115-S119 WeakPolarHBondContact O-CB 3.5Å; R115-S119 PolarHBondContact O-N 3.13Å
116F89.7Confident84.7Confident0 Ų064.9 Ų64.90%031%0.311CS..Hα-helixtrans-58.8-51175.5174.5-114.4000111.9L14 M23 F24 F27 S112 Y113 G118 S119 F121 F122L14-F116 HydrophobicContact CD1-CE1 3.7Å; L14-F116 HydrophobicContact CD1-CZ 4.3Å; L14-F116 HydrophobicContact CD2-CD1 3.85Å; L14-F116 HydrophobicContact CD2-CE1 3.74Å; L14-F116 HydrophobicContact CG-CE1 4.41Å; M23-F116 HydrophobicContact CB-CE2 4.4Å; M23-F116 HydrophobicContact CB-CZ 4.11Å; F24-F116 HydrophobicContact CD2-CB 3.8Å; F24-F116 AromaticContact CD2-CD1 3.83Å; F24-F116 HydrophobicContact CD2-CD1 3.83Å; F24-F116 HydrophobicContact CD2-CD2 4.05Å; F24-F116 HydrophobicContact CD2-CE1 4.41Å; F24-F116 AromaticContact CD2-CG 3.63Å; F24-F116 HydrophobicContact CD2-CG 3.63Å; F24-F116 HydrophobicContact CE2-CB 3.76Å; F24-F116 HydrophobicContact CE2-CD1 4.43Å; F24-F116 HydrophobicContact CE2-CG 4.12Å; F27-F116 HydrophobicContact CB-CD2 3.52Å; F27-F116 HydrophobicContact CB-CE2 3.96Å; F27-F116 HydrophobicContact CD1-CB 3.67Å; F27-F116 AromaticContact CD1-CD2 3.89Å; F27-F116 HydrophobicContact CD1-CD2 3.89Å; F27-F116 HydrophobicContact CD1-CG 4.22Å; F27-F116 HydrophobicContact CD2-CD2 4.06Å; F27-F116 HydrophobicContact CE1-CB 3.75Å; F27-F116 HydrophobicContact CG-CB 4.11Å; F27-F116 AromaticContact CG-CD2 3.54Å; F27-F116 HydrophobicContact CG-CD2 3.54Å; F27-F116 HydrophobicContact CG-CE2 4.44Å; F27-F116 HydrophobicContact CG-CG 4.29Å; F27-F116 HydrophobicContact CZ-CB 4.27Å; S112-F116 WeakPolarHBondContact O-CB 3.5Å; S112-F116 PolarHBondContact O-N 3.29Å; Y113-F116 WeakPolarHBondContact O-CB 3.15Å; Y113-F116 PolarHBondContact O-N 3.4Å; F116-G118 VanDerWaalsContact C-N 3.26Å; F116-G118 PolarHBondContact O-N 3.41Å; F116-S119 WeakPolarHBondContact O-CB 3.46Å; F116-S119 PolarHBondContact O-N 3.39Å; F116-S119 VanDerWaalsContact O-N 3.11Å; F116-S119 PolarHBondContact O-OG 2.64Å; F116-F121 AromaticContact CE2-CD1 4Å; F116-F121 HydrophobicContact CE2-CD1 4Å; F116-F122 HydrophobicContact CD1-CD2 4.3Å; F116-F122 AromaticContact CE1-CD2 3.63Å; F116-F122 HydrophobicContact CE1-CD2 3.63Å; F116-F122 HydrophobicContact CE1-CE2 4.11Å; F116-F122 AromaticContact CZ-CD2 3.81Å; F116-F122 HydrophobicContact CZ-CD2 3.81Å; F116-F122 WeakPolarHBondContact O-CB 3.43Å
117I86.9Confident83.3Confident41 Ų4166.9 Ų66.921%0.2133%0.326CS..Hα-helixtrans-64.5-32.2179.6-61.4-51.8000112.1Y113 F122Y113-I117 HydrophobicContact CD2-CD1 4.29Å; Y113-I117 HydrophobicContact CD2-CG1 3.95Å; Y113-I117 HydrophobicContact CE1-CG1 4.29Å; Y113-I117 HydrophobicContact CE2-CD1 3.69Å; Y113-I117 HydrophobicContact CE2-CG1 3.53Å; Y113-I117 WeakPolarHBondContact O-CG1 3.41Å; Y113-I117 PolarHBondContact O-N 3.45Å; I117-F122 HydrophobicContact CD1-CD1 4.25Å; I117-F122 HydrophobicContact CD1-CD2 3.91Å; I117-F122 HydrophobicContact CD1-CE1 4.05Å; I117-F122 HydrophobicContact CD1-CE2 3.69Å; I117-F122 HydrophobicContact CD1-CG 4.17Å; I117-F122 HydrophobicContact CD1-CZ 3.75Å; I117-F122 HydrophobicContact CG2-CD1 4.4Å; I117-F122 HydrophobicContact CG2-CE1 4.35Å
118G83.8Confident81.8Confident47 Ų4768.9 Ų68.949%0.48534%0.341SS..Hα-helixtrans-79-18.917500000114.8P114 R115 F116 K123P114-G118 PolarHBondContact O-N 3.28Å; R115-G118 CarbonylContact O-C 3.56Å; R115-G118 PolarHBondContact O-N 2.92Å; F116-G118 VanDerWaalsContact C-N 3.26Å; F116-G118 PolarHBondContact O-N 3.41Å; G118-K123 WeakPolarHBondContact O-CE 3.37Å
119S84.8Confident80.3Confident21 Ų2174.5 Ų74.515%0.14737%0.366CS..SBendtrans-68.3153.8-17374.10000112.9R115 F116 F121 F122 K123R115-S119 WeakPolarHBondContact O-CB 3.5Å; R115-S119 PolarHBondContact O-N 3.13Å; F116-S119 WeakPolarHBondContact O-CB 3.46Å; F116-S119 PolarHBondContact O-N 3.39Å; F116-S119 VanDerWaalsContact O-N 3.11Å; F116-S119 PolarHBondContact O-OG 2.64Å; S119-F121 PolarHBondContact O-N 2.99Å; S119-F121 WeakPolarHBondContact OG-CB 3.42Å; S119-F121 PolarHBondContact OG-N 2.94Å; S119-F122 PolarHBondContact O-N 2.96Å; S119-F122 PolarHBondContact OG-N 2.82Å; S119-K123 PolarHBondContact O-N 2.94Å
120E75.8Confident78.5Confident111 Ų11173.9 Ų73.952%0.51937%0.373SS..Hα-helixtrans-60.2-26169.3-66.7-55.8124.100111.7F122 K123 Q124E120-F122 PolarHBondContact O-N 3.15Å; E120-K123 PolarHBondContact O-N 3.31Å; E120-K123 WeakPolarHBondContact OE1-CD 3.47Å; E120-K123 WeakPolarHBondContact OE1-CE 3.44Å; E120-K123 IonicContact OE1-NZ 2.62Å; E120-K123 PolarHBondContact OE1-NZ 2.81Å; E120-Q124 WeakPolarHBondContact O-CB 3.43Å; E120-Q124 VanDerWaalsContact O-CG 3.24Å; E120-Q124 WeakPolarHBondContact O-CG 3.41Å; E120-Q124 PolarHBondContact O-N 3.04Å
121F74.4Confident76.3Confident79 Ų7972.6 Ų72.635%0.34638%0.376SS..Hα-helixtrans-59.6-49176.4-158.8-90.4000111.2M23 D26 F116 S119 Q124 L125M23-F121 HydrophobicContact CB-CE1 4.09Å; M23-F121 HydrophobicContact CG-CE1 4.38Å; D26-F121 HydrophobicContact CB-CE1 4.46Å; D26-F121 HydrophobicContact CB-CZ 3.86Å; F116-F121 AromaticContact CE2-CD1 4Å; F116-F121 HydrophobicContact CE2-CD1 4Å; S119-F121 PolarHBondContact O-N 2.99Å; S119-F121 WeakPolarHBondContact OG-CB 3.42Å; S119-F121 PolarHBondContact OG-N 2.94Å; F121-Q124 PolarHBondContact O-N 2.79Å; F121-L125 HydrophobicContact CD1-CD1 3.9Å; F121-L125 HydrophobicContact CE1-CD1 4.05Å; F121-L125 VanDerWaalsContact O-CG 3.3Å; F121-L125 WeakPolarHBondContact O-CG 3.37Å; F121-L125 PolarHBondContact O-N 3.39Å; F121-L125 VanDerWaalsContact O-N 3.1Å
122F74.5Confident74.1Confident3 Ų374.5 Ų74.51%0.01339%0.393CS..Hα-helixtrans-70.8-33.4177.3-169.3-99.4000112.8V4 W7 F116 I117 S119 E120 L125 R126V4-F122 HydrophobicContact CG1-CE1 4.23Å; V4-F122 HydrophobicContact CG1-CE2 3.84Å; V4-F122 HydrophobicContact CG1-CZ 3.61Å; V4-F122 VanDerWaalsContact O-CZ 3.28Å; V4-F122 WeakPolarHBondContact O-CZ 3.35Å; W7-F122 HydrophobicContact CB-CE2 4.14Å; W7-F122 HydrophobicContact CB-CZ 4.42Å; W7-F122 HydrophobicContact CE3-CE2 4.38Å; F116-F122 HydrophobicContact CD1-CD2 4.3Å; F116-F122 AromaticContact CE1-CD2 3.63Å; F116-F122 HydrophobicContact CE1-CD2 3.63Å; F116-F122 HydrophobicContact CE1-CE2 4.11Å; F116-F122 AromaticContact CZ-CD2 3.81Å; F116-F122 HydrophobicContact CZ-CD2 3.81Å; F116-F122 WeakPolarHBondContact O-CB 3.43Å; I117-F122 HydrophobicContact CD1-CD1 4.25Å; I117-F122 HydrophobicContact CD1-CD2 3.91Å; I117-F122 HydrophobicContact CD1-CE1 4.05Å; I117-F122 HydrophobicContact CD1-CE2 3.69Å; I117-F122 HydrophobicContact CD1-CG 4.17Å; I117-F122 HydrophobicContact CD1-CZ 3.75Å; I117-F122 HydrophobicContact CG2-CD1 4.4Å; I117-F122 HydrophobicContact CG2-CE1 4.35Å; S119-F122 PolarHBondContact O-N 2.96Å; S119-F122 PolarHBondContact OG-N 2.82Å; E120-F122 PolarHBondContact O-N 3.15Å; F122-L125 PolarHBondContact O-N 2.86Å; F122-R126 HydrophobicContact CD1-CG 4.41Å; F122-R126 HydrophobicContact CE1-CG 4.18Å; F122-R126 WeakPolarHBondContact O-CG 2.76Å; F122-R126 PolarHBondContact O-N 2.91Å
123K74.2Confident71.7Confident94 Ų9485.9 Ų85.941%0.40945%0.454SS..Hα-helixtrans-66.5-42.6174-65.5179-162.9165.30112.1G118 S119 E120 L125 R126 C127G118-K123 WeakPolarHBondContact O-CE 3.37Å; S119-K123 PolarHBondContact O-N 2.94Å; E120-K123 PolarHBondContact O-N 3.31Å; E120-K123 WeakPolarHBondContact OE1-CD 3.47Å; E120-K123 WeakPolarHBondContact OE1-CE 3.44Å; E120-K123 IonicContact OE1-NZ 2.62Å; E120-K123 PolarHBondContact OE1-NZ 2.81Å; K123-L125 VanDerWaalsContact C-N 3.31Å; K123-L125 PolarHBondContact O-N 3.01Å; K123-R126 WeakPolarHBondContact O-CB 3.31Å; K123-R126 PolarHBondContact O-N 3.01Å; K123-R126 VanDerWaalsContact O-N 3.14Å; K123-C127 PolarHBondContact O-N 2.89Å
124Q72.6Confident70.7Confident119 Ų11989 Ų8956%0.55647%0.471SS*.Hα-helixtrans-61.1-42.2175.1-75.8175.617.300110.8E120 F121 R126 C127 T128E120-Q124 WeakPolarHBondContact O-CB 3.43Å; E120-Q124 VanDerWaalsContact O-CG 3.24Å; E120-Q124 WeakPolarHBondContact O-CG 3.41Å; E120-Q124 PolarHBondContact O-N 3.04Å; F121-Q124 PolarHBondContact O-N 2.79Å; Q124-R126 VanDerWaalsContact C-N 3.31Å; Q124-R126 PolarHBondContact O-N 3.34Å; Q124-C127 CarbonylContact O-C 3.56Å; Q124-C127 WeakPolarHBondContact O-CA 3.31Å; Q124-C127 WeakPolarHBondContact O-CB 3.26Å; Q124-C127 PolarHBondContact O-N 2.99Å; Q124-T128 PolarHBondContact O-N 3.48Å; Q124-T128 PolarHBondContact O-OG1 3.29Å; Q124-T128 VanDerWaalsContact O-OG1 3.04Å
125L71Confident69.7Low21 Ų2189.9 Ų89.911%0.1147%0.472CS..Hα-helixtrans-59-42.6173.6-71.5165.9000112.2M23 F121 F122 K123 C127 T128 F129M23-L125 HydrophobicContact CB-CD1 4.16Å; M23-L125 HydrophobicContact CE-CD1 4.28Å; M23-L125 HydrophobicContact CE-CD2 3.28Å; M23-L125 HydrophobicContact CE-CG 4.4Å; M23-L125 HydrophobicContact CG-CD1 3.98Å; M23-L125 HydrophobicContact CG-CD2 4.45Å; M23-L125 HydrophobicContact SD-CD1 3.33Å; M23-L125 WeakPolarHBondContact SD-CD1 3.38Å; M23-L125 HydrophobicContact SD-CD2 3.51Å; M23-L125 VanDerWaalsContact SD-CD2 3.51Å; M23-L125 HydrophobicContact SD-CG 4.04Å; F121-L125 HydrophobicContact CD1-CD1 3.9Å; F121-L125 HydrophobicContact CE1-CD1 4.05Å; F121-L125 VanDerWaalsContact O-CG 3.3Å; F121-L125 WeakPolarHBondContact O-CG 3.37Å; F121-L125 PolarHBondContact O-N 3.39Å; F121-L125 VanDerWaalsContact O-N 3.1Å; F122-L125 PolarHBondContact O-N 2.86Å; K123-L125 VanDerWaalsContact C-N 3.31Å; K123-L125 PolarHBondContact O-N 3.01Å; L125-C127 PolarHBondContact O-N 3.17Å; L125-T128 PolarHBondContact O-N 3.17Å; L125-F129 HydrophobicContact CD2-CD2 4.37Å; L125-F129 HydrophobicContact CD2-CE2 3.84Å; L125-F129 VanDerWaalsContact O-CD2 3.25Å; L125-F129 WeakPolarHBondContact O-CD2 3.3Å; L125-F129 PolarHBondContact O-N 3.36Å; L125-F129 VanDerWaalsContact O-N 3.09Å
126R68.8Low68.5Low155 Ų15589.5 Ų89.559%0.58548%0.478SS*.Hα-helixtrans-60.8-33.1173.5-72.5178.159175.1-2.9112.8V4 F122 K123 Q124 A130V4-R126 HydrophobicContact CG1-CG 3.64Å; F122-R126 HydrophobicContact CD1-CG 4.41Å; F122-R126 HydrophobicContact CE1-CG 4.18Å; F122-R126 WeakPolarHBondContact O-CG 2.76Å; F122-R126 PolarHBondContact O-N 2.91Å; K123-R126 WeakPolarHBondContact O-CB 3.31Å; K123-R126 PolarHBondContact O-N 3.01Å; K123-R126 VanDerWaalsContact O-N 3.14Å; Q124-R126 VanDerWaalsContact C-N 3.31Å; Q124-R126 PolarHBondContact O-N 3.34Å; R126-A130 WeakPolarHBondContact O-CB 3.31Å; R126-A130 PolarHBondContact O-N 3.17Å
127C64.4Low67.3Low94 Ų9494.8 Ų94.864%0.63551%0.506SS*.Hα-helixtrans-78.1-45.1176.7-69.80000112.6K123 Q124 L125 F129 A130K123-C127 PolarHBondContact O-N 2.89Å; Q124-C127 CarbonylContact O-C 3.56Å; Q124-C127 WeakPolarHBondContact O-CA 3.31Å; Q124-C127 WeakPolarHBondContact O-CB 3.26Å; Q124-C127 PolarHBondContact O-N 2.99Å; L125-C127 PolarHBondContact O-N 3.17Å; C127-F129 VanDerWaalsContact C-N 3.28Å; C127-F129 PolarHBondContact O-N 3.49Å; C127-A130 PolarHBondContact O-N 3.46Å; C127-A130 VanDerWaalsContact O-N 3.1Å
128T63.8Low66Low105 Ų10598.1 Ų98.164%0.64453%0.525SS*.Hα-helixtrans-64.4-33-179.3-54.60000112.3Q124 L125Q124-T128 PolarHBondContact O-N 3.48Å; Q124-T128 PolarHBondContact O-OG1 3.29Å; Q124-T128 VanDerWaalsContact O-OG1 3.04Å; L125-T128 PolarHBondContact O-N 3.17Å
129F62.1Low64.9Low119 Ų119101.5 Ų101.552%0.52253%0.527SS..THydrogen-bonded Turntrans-96.34.8175.5-65.7-70.7000113.7M23 L125 C127M23-F129 HydrophobicContact CE-CE2 4.13Å; L125-F129 HydrophobicContact CD2-CD2 4.37Å; L125-F129 HydrophobicContact CD2-CE2 3.84Å; L125-F129 VanDerWaalsContact O-CD2 3.25Å; L125-F129 WeakPolarHBondContact O-CD2 3.3Å; L125-F129 PolarHBondContact O-N 3.36Å; L125-F129 VanDerWaalsContact O-N 3.09Å; C127-F129 VanDerWaalsContact C-N 3.28Å; C127-F129 PolarHBondContact O-N 3.49Å
130A55.7Low63.4Low62 Ų62107.3 Ų107.351%0.51255%0.554SS.*  trans-94.282.2162.500000107.2R126 C127R126-A130 WeakPolarHBondContact O-CB 3.31Å; R126-A130 PolarHBondContact O-N 3.17Å; C127-A130 PolarHBondContact O-N 3.46Å; C127-A130 VanDerWaalsContact O-N 3.1Å
131E45.5Very low62.5Low175 Ų175107 Ų10782%0.81856%0.557SS**  trans-56.8138.6161.6-75.2-178157.800108.3
132P45Very low61.5Low122 Ų122109.3 Ų109.379%0.79258%0.575SS**  trans-64.8143.1172.930.5-33000108.8
133D40.2Very low60.3Low243 Ų243119 Ų119100%1.29963%0.626SS**  trans-44.60177.6-73.6-50.7000114.1

Retrieved 133 of 133 residues in 213.2 ms (Link to these results)

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