A0A5K4F5M5_SCHMA Loading...

protein adenylyltransferase

AlphaFold DB , UniProt , Accession A0A5K4F5M5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 467 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
1M26.8Very low68.7Low231 Ų231108.8 Ų108.8100%1.13856%0.564SS**  0128.50-83.8175.4166.300107.3
2R37Very low70.9Confident161 Ų161108.9 Ų108.961%0.60855%0.551SS**  trans-65127.1-156.7-64.3170176.8168.1-0.8113.4R4R2-R4 HydrophobicContact CB-CB 4.3Å; R2-R4 HydrophobicContact CB-CG 4.2Å; R2-R4 PolarHBondContact O-N 2.87Å
3N42Very low72.7Confident132 Ų132105 Ų10571%0.70655%0.546SS*.  trans-83.537.3157.5-94.1-0.8000110.8
4R55.8Low74.4Confident41 Ų41102.9 Ų102.916%0.15553%0.532CS..SBendtrans-66.3143162.1-74.2-173.1-176.2177.2-1.6106.1R2 V6 D47 D349R2-R4 HydrophobicContact CB-CB 4.3Å; R2-R4 HydrophobicContact CB-CG 4.2Å; R2-R4 PolarHBondContact O-N 2.87Å; R4-V6 WeakPolarHBondContact O-CG2 3.39Å; R4-V6 PolarHBondContact O-N 3Å; R4-D47 WeakPolarHBondContact CD-OD2 3.23Å; R4-D47 IonicContact CZ-OD2 2.74Å; R4-D47 IonicContact NE-OD2 3.97Å; R4-D47 IonicContact NH1-OD1 3.65Å; R4-D47 PolarHBondContact NH1-OD1 3.42Å; R4-D47 VanDerWaalsContact NH1-OD1 3.09Å; R4-D47 IonicContact NH1-OD2 3.76Å; R4-D47 PolarHBondContact NH1-OD2 2.87Å; R4-D349 IonicContact CZ-OD1 3.31Å; R4-D349 IonicContact CZ-OD2 3.77Å; R4-D349 IonicContact NE-OD1 3.11Å; R4-D349 IonicContact NH2-OD1 2.76Å; R4-D349 PolarHBondContact NH2-OD1 3.3Å; R4-D349 IonicContact NH2-OD2 3.63Å; R4-D349 PolarHBondContact NH2-OD2 2.95Å
5V64Low75.8Confident131 Ų13196.1 Ų96.179%0.79450%0.497SS*.  trans-59.995.2163.4179.70000105.3P7V5-P7 VanDerWaalsContact O-CD 3.28Å; V5-P7 WeakPolarHBondContact O-CD 3.37Å
6V76.4Confident77Confident90 Ų9094.5 Ų94.555%0.54549%0.489SS..PPolyproline II helixtrans-70.4119.4178.7179.10000104.8R4 T8 R12R4-V6 WeakPolarHBondContact O-CG2 3.39Å; R4-V6 PolarHBondContact O-N 3Å; V6-T8 PolarHBondContact O-N 3.19Å; V6-R12 VanDerWaalsContact CG1-NH2 3.27Å
7P83.1Confident78.2Confident13 Ų1396.4 Ų96.48%0.08450%0.495CS..PPolyproline II helixtrans-56133.7178.9-2534.6000109.5V5 E11 R12 L44 D45V5-P7 VanDerWaalsContact O-CD 3.28Å; V5-P7 WeakPolarHBondContact O-CD 3.37Å; P7-E11 WeakPolarHBondContact CA-OE2 3.35Å; P7-E11 HydrophobicContact CB-CB 4.05Å; P7-R12 HydrophobicContact CB-CG 3.86Å; P7-R12 PolarHBondContact O-NE 3.09Å; P7-L44 WeakPolarHBondContact CB-O 3.43Å; P7-L44 VanDerWaalsContact CG-O 3.3Å; P7-L44 WeakPolarHBondContact CG-O 3.16Å; P7-D45 HydrophobicContact CG-CB 4.29Å
8T91.5Very high79.2Confident76 Ų7691.7 Ų91.747%0.46647%0.472SS..PPolyproline II helixtrans-58.6158.417160.90000110.1V6 S10 E11 R12V6-T8 PolarHBondContact O-N 3.19Å; T8-S10 PolarHBondContact O-N 3.07Å; T8-S10 VanDerWaalsContact O-N 3.17Å; T8-E11 WeakPolarHBondContact CB-OE2 3.46Å; T8-E11 WeakPolarHBondContact CG2-OE2 3.5Å; T8-E11 PolarHBondContact N-OE2 3.11Å; T8-E11 PolarHBondContact O-N 2.94Å; T8-E11 VanDerWaalsContact OG1-CG 3.27Å; T8-E11 WeakPolarHBondContact OG1-CG 3.44Å; T8-E11 PolarHBondContact OG1-N 2.85Å; T8-E11 PolarHBondContact OG1-OE2 2.98Å; T8-R12 WeakPolarHBondContact O-CG 3.43Å; T8-R12 PolarHBondContact O-N 3.24Å
9E91.7Very high80Confident170 Ų17087.9 Ų87.979%0.79445%0.453SS*.Hα-helixtrans-56.2-33.8175.9-66.8-176.1167.400112.2A13E9-A13 WeakPolarHBondContact O-CB 3.41Å; E9-A13 PolarHBondContact O-N 3.05Å
10S93.7Very high80.8Confident87 Ų8792 Ų9261%0.60846%0.462SS*.Hα-helixtrans-64.2-47.5174.2-171.60000112.2T8 R12 A13 E14T8-S10 PolarHBondContact O-N 3.07Å; T8-S10 VanDerWaalsContact O-N 3.17Å; S10-R12 VanDerWaalsContact C-N 3.33Å; S10-R12 PolarHBondContact O-N 3.39Å; S10-A13 PolarHBondContact O-N 3.11Å; S10-E14 WeakPolarHBondContact O-CB 3.37Å; S10-E14 PolarHBondContact O-N 2.64Å
11E93.9Very high81.6Confident65 Ų6589.2 Ų89.230%0.30445%0.453SS..Hα-helixtrans-63.8-39.4178.6-73163.6141.800111.5P7 T8 E14 A15 L44P7-E11 WeakPolarHBondContact CA-OE2 3.35Å; P7-E11 HydrophobicContact CB-CB 4.05Å; T8-E11 WeakPolarHBondContact CB-OE2 3.46Å; T8-E11 WeakPolarHBondContact CG2-OE2 3.5Å; T8-E11 PolarHBondContact N-OE2 3.11Å; T8-E11 PolarHBondContact O-N 2.94Å; T8-E11 VanDerWaalsContact OG1-CG 3.27Å; T8-E11 WeakPolarHBondContact OG1-CG 3.44Å; T8-E11 PolarHBondContact OG1-N 2.85Å; T8-E11 PolarHBondContact OG1-OE2 2.98Å; E11-E14 PolarHBondContact O-N 3.41Å; E11-A15 WeakPolarHBondContact O-CB 3.39Å; E11-A15 PolarHBondContact O-N 3.38Å; E11-L44 HydrophobicContact CB-CD2 4.37Å; E11-L44 HydrophobicContact CG-CD2 4.14Å
12R94.6Very high84.8Confident110 Ų11078.2 Ų78.242%0.41540%0.399SS..Hα-helixtrans-62.2-45.3174.4-66.7-178.9179.4172.4-1111.9V6 P7 T8 S10 E14 A15 L16V6-R12 VanDerWaalsContact CG1-NH2 3.27Å; P7-R12 HydrophobicContact CB-CG 3.86Å; P7-R12 PolarHBondContact O-NE 3.09Å; T8-R12 WeakPolarHBondContact O-CG 3.43Å; T8-R12 PolarHBondContact O-N 3.24Å; S10-R12 VanDerWaalsContact C-N 3.33Å; S10-R12 PolarHBondContact O-N 3.39Å; R12-E14 VanDerWaalsContact C-N 3.34Å; R12-E14 PolarHBondContact O-N 3.31Å; R12-A15 PolarHBondContact O-N 2.86Å; R12-L16 WeakPolarHBondContact O-CG 3.46Å; R12-L16 PolarHBondContact O-N 3.41Å; R12-L16 VanDerWaalsContact O-N 3.08Å
13A94.8Very high87.5Confident58 Ų5873.3 Ų73.348%0.47939%0.39SS..Hα-helixtrans-63.1-41.4177.900000111.8E9 S10 L16 Q17E9-A13 WeakPolarHBondContact O-CB 3.41Å; E9-A13 PolarHBondContact O-N 3.05Å; S10-A13 PolarHBondContact O-N 3.11Å; A13-L16 PolarHBondContact O-N 3.13Å; A13-Q17 PolarHBondContact O-N 2.91Å
14E96.4Very high90Very high76 Ų7672.8 Ų72.836%0.35539%0.386SS..Hα-helixtrans-66.8-39.7176.6-171.7-176.4156.900112.2S10 E11 R12 L16 Q17 S18 H40 L44S10-E14 WeakPolarHBondContact O-CB 3.37Å; S10-E14 PolarHBondContact O-N 2.64Å; E11-E14 PolarHBondContact O-N 3.41Å; R12-E14 VanDerWaalsContact C-N 3.34Å; R12-E14 PolarHBondContact O-N 3.31Å; E14-L16 PolarHBondContact O-N 3.24Å; E14-Q17 PolarHBondContact O-N 3.06Å; E14-S18 WeakPolarHBondContact O-CB 3.4Å; E14-S18 PolarHBondContact O-N 2.99Å; E14-S18 PolarHBondContact O-OG 2.97Å; E14-H40 IonicContact OE1-CD2 3.82Å; E14-H40 IonicContact OE1-CE1 3.58Å; E14-H40 IonicContact OE1-NE2 3.09Å; E14-H40 PolarHBondContact OE1-NE2 3.5Å; E14-L44 HydrophobicContact CB-CD1 3.87Å; E14-L44 HydrophobicContact CG-CD1 3.58Å
15A95.1Very high91.7Very high0 Ų072.7 Ų72.70%039%0.388CS..Hα-helixtrans-59.8-45.8174.800000111.3E11 R12 Q17 S18 L19 A41 L44 D45E11-A15 WeakPolarHBondContact O-CB 3.39Å; E11-A15 PolarHBondContact O-N 3.38Å; R12-A15 PolarHBondContact O-N 2.86Å; A15-Q17 PolarHBondContact O-N 3.49Å; A15-S18 WeakPolarHBondContact O-CB 3.44Å; A15-S18 PolarHBondContact O-N 2.94Å; A15-L19 WeakPolarHBondContact O-CB 3.25Å; A15-L19 PolarHBondContact O-N 2.88Å; A15-A41 HydrophobicContact CB-CB 4.4Å; A15-A41 WeakPolarHBondContact O-CB 3.1Å; A15-L44 HydrophobicContact CB-CB 3.93Å; A15-L44 HydrophobicContact CB-CD1 4.42Å; A15-D45 HydrophobicContact CB-CB 3.64Å
16L95.7Very high93Very high71 Ų7169.5 Ų69.537%0.37236%0.364SS..Hα-helixtrans-66.4-34.7176.5-69.4175.9000113R12 A13 E14 L19 R20R12-L16 WeakPolarHBondContact O-CG 3.46Å; R12-L16 PolarHBondContact O-N 3.41Å; R12-L16 VanDerWaalsContact O-N 3.08Å; A13-L16 PolarHBondContact O-N 3.13Å; E14-L16 PolarHBondContact O-N 3.24Å; L16-L19 HydrophobicContact CD2-CD2 4.48Å; L16-R20 WeakPolarHBondContact O-CG 3.46Å; L16-R20 PolarHBondContact O-N 2.83Å; L16-R20 VanDerWaalsContact O-N 3.1Å; L16-R20 PolarHBondContact O-NE 2.81Å
17Q96.6Very high93.6Very high127 Ų12769.5 Ų69.559%0.59337%0.373SS*.Hα-helixtrans-65.7-42.8172.8-173.8177.14.400111.2A13 E14 A15 R20 A21A13-Q17 PolarHBondContact O-N 2.91Å; E14-Q17 PolarHBondContact O-N 3.06Å; A15-Q17 PolarHBondContact O-N 3.49Å; Q17-R20 PolarHBondContact O-N 2.95Å; Q17-A21 WeakPolarHBondContact O-CB 3.31Å; Q17-A21 PolarHBondContact O-N 3.4Å
18S96.1Very high94Very high12 Ų1273 Ų738%0.08440%0.395CS..Hα-helixtrans-64.7-40.4177.8-61.50000111.9E14 A15 A21 A22 H40E14-S18 WeakPolarHBondContact O-CB 3.4Å; E14-S18 PolarHBondContact O-N 2.99Å; E14-S18 PolarHBondContact O-OG 2.97Å; A15-S18 WeakPolarHBondContact O-CB 3.44Å; A15-S18 PolarHBondContact O-N 2.94Å; S18-A21 PolarHBondContact O-N 2.99Å; S18-A22 WeakPolarHBondContact O-CB 3.41Å; S18-A22 PolarHBondContact O-N 2.79Å; S18-H40 PolarHBondContact OG-CD2 2.77Å
19L95.5Very high93.8Very high20 Ų2071.3 Ų71.311%0.10539%0.393CS..Hα-helixtrans-58.9-50.8172.6177.262.2000111.8A15 L16 A21 A22 S23 L38 D50 V51 A54A15-L19 WeakPolarHBondContact O-CB 3.25Å; A15-L19 PolarHBondContact O-N 2.88Å; L16-L19 HydrophobicContact CD2-CD2 4.48Å; L19-A21 VanDerWaalsContact C-N 3.32Å; L19-A21 PolarHBondContact O-N 3.33Å; L19-A22 WeakPolarHBondContact O-CB 3.19Å; L19-A22 PolarHBondContact O-N 3.09Å; L19-A22 VanDerWaalsContact O-N 3.09Å; L19-S23 PolarHBondContact O-N 3.43Å; L19-S23 PolarHBondContact O-OG 3.19Å; L19-L38 HydrophobicContact CD1-CD2 3.52Å; L19-D50 HydrophobicContact CD2-CB 3.63Å; L19-V51 HydrophobicContact CB-CG2 4.34Å; L19-V51 HydrophobicContact CD2-CG2 4.18Å; L19-A54 HydrophobicContact CD1-CB 3.72Å
20R96.3Very high93.6Very high168 Ų16868.3 Ų68.363%0.63438%0.379SS*.Hα-helixtrans-60.5-42.3177.4-74.1-176.4-71.3-175.1-1112L16 Q17 A22 S23 L24L16-R20 WeakPolarHBondContact O-CG 3.46Å; L16-R20 PolarHBondContact O-N 2.83Å; L16-R20 VanDerWaalsContact O-N 3.1Å; L16-R20 PolarHBondContact O-NE 2.81Å; Q17-R20 PolarHBondContact O-N 2.95Å; R20-A22 VanDerWaalsContact C-N 3.29Å; R20-A22 PolarHBondContact O-N 2.63Å; R20-S23 PolarHBondContact O-N 2.7Å; R20-L24 PolarHBondContact O-N 3.1Å
21A96Very high93.4Very high34 Ų3470.9 Ų70.928%0.28138%0.379SS..Hα-helixtrans-62-38.8175.100000111.5Q17 S18 L19 L24 Q25 L37Q17-A21 WeakPolarHBondContact O-CB 3.31Å; Q17-A21 PolarHBondContact O-N 3.4Å; S18-A21 PolarHBondContact O-N 2.99Å; L19-A21 VanDerWaalsContact C-N 3.32Å; L19-A21 PolarHBondContact O-N 3.33Å; A21-L24 PolarHBondContact O-N 2.99Å; A21-Q25 WeakPolarHBondContact O-CG 3.38Å; A21-Q25 PolarHBondContact O-N 3.46Å; A21-L37 HydrophobicContact CB-CD1 3.97Å
22A94.8Very high93Very high0 Ų071.5 Ų71.50%040%0.395CS..Hα-helixtrans-62.4-45176.300000111.9S18 L19 R20 L24 Q25 Q26 A34 L37 L38S18-A22 WeakPolarHBondContact O-CB 3.41Å; S18-A22 PolarHBondContact O-N 2.79Å; L19-A22 WeakPolarHBondContact O-CB 3.19Å; L19-A22 PolarHBondContact O-N 3.09Å; L19-A22 VanDerWaalsContact O-N 3.09Å; R20-A22 VanDerWaalsContact C-N 3.29Å; R20-A22 PolarHBondContact O-N 2.63Å; A22-L24 VanDerWaalsContact C-N 3.31Å; A22-L24 PolarHBondContact O-N 3.4Å; A22-Q25 CarbonylContact O-C 3.46Å; A22-Q25 PolarHBondContact O-N 2.85Å; A22-Q25 VanDerWaalsContact O-N 3.08Å; A22-Q26 WeakPolarHBondContact O-CG 3.23Å; A22-Q26 PolarHBondContact O-N 3.3Å; A22-A34 HydrophobicContact CB-CB 4.34Å; A22-A34 WeakPolarHBondContact O-CB 3.35Å; A22-L37 HydrophobicContact CB-CB 3.78Å; A22-L37 HydrophobicContact CB-CD1 4.42Å; A22-L38 HydrophobicContact CB-CD1 4.33Å; A22-L38 HydrophobicContact CB-CD2 3.87Å; A22-L38 HydrophobicContact CB-CG 3.67Å
23S93.2Very high92.8Very high59 Ų5971.6 Ų71.641%0.41340%0.398SS..Hα-helixtrans-59.4-39.7176.6-54.60000112.4L19 R20 Q26 A27L19-S23 PolarHBondContact O-N 3.43Å; L19-S23 PolarHBondContact O-OG 3.19Å; R20-S23 PolarHBondContact O-N 2.7Å; S23-Q26 PolarHBondContact O-N 2.82Å; S23-A27 PolarHBondContact O-N 3.42Å
24L94.2Very high92.6Very high121 Ų12168.9 Ų68.963%0.63438%0.376SS*.Hα-helixtrans-64.7-39.2173.9-67.7173.4000112.3R20 A21 A22 A27 T28R20-L24 PolarHBondContact O-N 3.1Å; A21-L24 PolarHBondContact O-N 2.99Å; A22-L24 VanDerWaalsContact C-N 3.31Å; A22-L24 PolarHBondContact O-N 3.4Å; L24-A27 PolarHBondContact O-N 3.33Å; L24-T28 WeakPolarHBondContact O-CG2 3.31Å; L24-T28 PolarHBondContact O-N 3.15Å; L24-T28 PolarHBondContact O-OG1 2.79Å
25Q92.9Very high92.3Very high39 Ų3967 Ų6718%0.18237%0.366CS..Hα-helixtrans-67.4-36.7174.8-65.4-58.5-42.900111.7A21 A22 T28 G29 H30 K33 A34 L37A21-Q25 WeakPolarHBondContact O-CG 3.38Å; A21-Q25 PolarHBondContact O-N 3.46Å; A22-Q25 CarbonylContact O-C 3.46Å; A22-Q25 PolarHBondContact O-N 2.85Å; A22-Q25 VanDerWaalsContact O-N 3.08Å; Q25-T28 WeakPolarHBondContact CA-OG1 3.35Å; Q25-T28 PolarHBondContact O-N 3.4Å; Q25-T28 PolarHBondContact O-OG1 2.56Å; Q25-G29 PolarHBondContact O-N 3.36Å; Q25-H30 HydrophobicContact CB-CB 4.19Å; Q25-H30 WeakPolarHBondContact O-CA 3.18Å; Q25-H30 PolarHBondContact O-N 3.27Å; Q25-K33 HydrophobicContact CG-CD 4.16Å; Q25-K33 HydrophobicContact CG-CG 4.12Å; Q25-A34 HydrophobicContact CB-CB 3.96Å; Q25-L37 HydrophobicContact CG-CD1 3.8Å
26Q90.1Very high92.1Very high63 Ų6373.6 Ų73.629%0.29440%0.395SS..Hα-helixtrans-64.5-45.2173.8-70.9175.8-25.900111.7A22 S23 T28 G29 A34A22-Q26 WeakPolarHBondContact O-CG 3.23Å; A22-Q26 PolarHBondContact O-N 3.3Å; S23-Q26 PolarHBondContact O-N 2.82Å; Q26-T28 PolarHBondContact O-N 2.83Å; Q26-G29 PolarHBondContact O-N 2.76Å; Q26-A34 HydrophobicContact CG-CB 3.41Å; Q26-A34 VanDerWaalsContact CG-CB 3.41Å
27A88.5Confident92.1Very high90 Ų9072.2 Ų72.274%0.74439%0.388SS*.Hα-helixtrans-60.9-27178.100000113.1S23 L24S23-A27 PolarHBondContact O-N 3.42Å; L24-A27 PolarHBondContact O-N 3.33Å
28T92Very high92Very high87 Ų8766.2 Ų66.253%0.53436%0.36SS..THydrogen-bonded Turntrans-93.86176.455.10000113.7L24 Q25 Q26 H30L24-T28 WeakPolarHBondContact O-CG2 3.31Å; L24-T28 PolarHBondContact O-N 3.15Å; L24-T28 PolarHBondContact O-OG1 2.79Å; Q25-T28 WeakPolarHBondContact CA-OG1 3.35Å; Q25-T28 PolarHBondContact O-N 3.4Å; Q25-T28 PolarHBondContact O-OG1 2.56Å; Q26-T28 PolarHBondContact O-N 2.83Å; T28-H30 VanDerWaalsContact C-N 3.32Å; T28-H30 PolarHBondContact O-N 2.85Å; T28-H30 PolarHBondContact O-ND1 3.42Å; T28-H30 PolarHBondContact OG1-ND1 3.01Å
29G87.1Confident91.9Very high41 Ų4167 Ų6742%0.42336%0.362SS..THydrogen-bonded Turntrans78.95.8179.200000115.4Q25 Q26 F31Q25-G29 PolarHBondContact O-N 3.36Å; Q26-G29 PolarHBondContact O-N 2.76Å; G29-F31 VanDerWaalsContact C-N 3.28Å; G29-F31 VanDerWaalsContact O-CD2 3.23Å; G29-F31 WeakPolarHBondContact O-CD2 3.28Å; G29-F31 PolarHBondContact O-N 3.21Å
30H88.8Confident91.8Very high107 Ų10769.7 Ų69.750%0.49537%0.374SS..  trans-84.860.6179.3-62.6101.5000112.2Q25 T28 A32 K33 A34Q25-H30 HydrophobicContact CB-CB 4.19Å; Q25-H30 WeakPolarHBondContact O-CA 3.18Å; Q25-H30 PolarHBondContact O-N 3.27Å; T28-H30 VanDerWaalsContact C-N 3.32Å; T28-H30 PolarHBondContact O-N 2.85Å; T28-H30 PolarHBondContact O-ND1 3.42Å; T28-H30 PolarHBondContact OG1-ND1 3.01Å; H30-A32 PolarHBondContact O-N 3.12Å; H30-K33 HydrophobicContact CB-CB 4.24Å; H30-K33 PolarHBondContact O-N 3.06Å; H30-K33 VanDerWaalsContact O-N 3.13Å; H30-A34 PolarHBondContact O-N 2.83Å
31F88Confident91.7Very high141 Ų14161.7 Ų61.762%0.61834%0.344SS*.Hα-helixtrans-58.4-41.5-172.5-58-69.7000114.5G29 K33 A34 K35G29-F31 VanDerWaalsContact C-N 3.28Å; G29-F31 VanDerWaalsContact O-CD2 3.23Å; G29-F31 WeakPolarHBondContact O-CD2 3.28Å; G29-F31 PolarHBondContact O-N 3.21Å; F31-K33 VanDerWaalsContact C-N 3.29Å; F31-K33 PolarHBondContact O-N 3.13Å; F31-A34 WeakPolarHBondContact O-CB 3.43Å; F31-A34 PolarHBondContact O-N 3.05Å; F31-K35 PolarHBondContact O-N 2.97Å
32A86.7Confident91.6Very high77 Ų7760.8 Ų60.864%0.63633%0.334SS*.Hα-helixtrans-64.3-35.117900000112.4H30 K36H30-A32 PolarHBondContact O-N 3.12Å; A32-K36 WeakPolarHBondContact O-CG 3.2Å; A32-K36 PolarHBondContact O-N 3.22Å
33K89.8Confident91.5Very high113 Ų11368.1 Ų68.149%0.49137%0.366SS..Hα-helixtrans-74.5-40.2176.8-171.8171.9168.5-166.80111Q25 H30 F31 K36 L37Q25-K33 HydrophobicContact CG-CD 4.16Å; Q25-K33 HydrophobicContact CG-CG 4.12Å; H30-K33 HydrophobicContact CB-CB 4.24Å; H30-K33 PolarHBondContact O-N 3.06Å; H30-K33 VanDerWaalsContact O-N 3.13Å; F31-K33 VanDerWaalsContact C-N 3.29Å; F31-K33 PolarHBondContact O-N 3.13Å; K33-K36 PolarHBondContact O-N 2.88Å; K33-L37 HydrophobicContact CG-CD1 4.49Å; K33-L37 WeakPolarHBondContact O-CG 3.38Å; K33-L37 PolarHBondContact O-N 2.92Å; K33-L37 VanDerWaalsContact O-N 3.1Å
34A91.4Very high91.5Very high1 Ų166.5 Ų66.51%0.00835%0.352CS..Hα-helixtrans-58.3-46.8172.500000112.3A22 Q25 Q26 H30 F31 K36 L37 L38A22-A34 HydrophobicContact CB-CB 4.34Å; A22-A34 WeakPolarHBondContact O-CB 3.35Å; Q25-A34 HydrophobicContact CB-CB 3.96Å; Q26-A34 HydrophobicContact CG-CB 3.41Å; Q26-A34 VanDerWaalsContact CG-CB 3.41Å; H30-A34 PolarHBondContact O-N 2.83Å; F31-A34 WeakPolarHBondContact O-CB 3.43Å; F31-A34 PolarHBondContact O-N 3.05Å; A34-K36 VanDerWaalsContact C-N 3.35Å; A34-K36 PolarHBondContact O-N 3.2Å; A34-L37 WeakPolarHBondContact O-CB 3.43Å; A34-L37 PolarHBondContact O-N 3.14Å; A34-L37 VanDerWaalsContact O-N 3.15Å; A34-L38 WeakPolarHBondContact O-CG 3.41Å; A34-L38 PolarHBondContact O-N 2.99Å
35K90.1Very high91.5Very high35 Ų3561.4 Ų61.415%0.15233%0.326CS..Hα-helixtrans-56.9-46.1177-176.5-179.9174.8-177.80111.9F31 L37 L38 E39F31-K35 PolarHBondContact O-N 2.97Å; K35-L37 VanDerWaalsContact C-N 3.32Å; K35-L37 PolarHBondContact O-N 3.05Å; K35-L38 PolarHBondContact O-N 2.98Å; K35-E39 WeakPolarHBondContact CE-OE1 3.27Å; K35-E39 WeakPolarHBondContact O-CG 3.38Å; K35-E39 PolarHBondContact O-N 2.71Å
36K91.4Very high91.4Very high140 Ų14061.4 Ų61.461%0.60933%0.329SS*.Hα-helixtrans-61.5-38.1177.3-73.1-180179.5-178.20113A32 K33 A34 E39 H40A32-K36 WeakPolarHBondContact O-CG 3.2Å; A32-K36 PolarHBondContact O-N 3.22Å; K33-K36 PolarHBondContact O-N 2.88Å; A34-K36 VanDerWaalsContact C-N 3.35Å; A34-K36 PolarHBondContact O-N 3.2Å; K36-E39 PolarHBondContact O-N 2.85Å; K36-H40 PolarHBondContact O-N 2.64Å
37L94.5Very high91.4Very high42 Ų4260 Ų6022%0.2232%0.324CS..Hα-helixtrans-67.1-37.9175.7-71.8167.2000111.7A21 A22 Q25 K33 A34 K35 H40 A41A21-L37 HydrophobicContact CB-CD1 3.97Å; A22-L37 HydrophobicContact CB-CB 3.78Å; A22-L37 HydrophobicContact CB-CD1 4.42Å; Q25-L37 HydrophobicContact CG-CD1 3.8Å; K33-L37 HydrophobicContact CG-CD1 4.49Å; K33-L37 WeakPolarHBondContact O-CG 3.38Å; K33-L37 PolarHBondContact O-N 2.92Å; K33-L37 VanDerWaalsContact O-N 3.1Å; A34-L37 WeakPolarHBondContact O-CB 3.43Å; A34-L37 PolarHBondContact O-N 3.14Å; A34-L37 VanDerWaalsContact O-N 3.15Å; K35-L37 VanDerWaalsContact C-N 3.32Å; K35-L37 PolarHBondContact O-N 3.05Å; L37-H40 PolarHBondContact O-N 3.05Å; L37-A41 WeakPolarHBondContact O-CB 3.23Å; L37-A41 PolarHBondContact O-N 3.5Å
38L94.7Very high91.7Very high1 Ų157 Ų571%0.00530%0.295CS..Hα-helixtrans-68.6-40.3174.5-68.1165.4000112.1L19 A22 A34 K35 H40 A41 F42 A54 L55 A58L19-L38 HydrophobicContact CD1-CD2 3.52Å; A22-L38 HydrophobicContact CB-CD1 4.33Å; A22-L38 HydrophobicContact CB-CD2 3.87Å; A22-L38 HydrophobicContact CB-CG 3.67Å; A34-L38 WeakPolarHBondContact O-CG 3.41Å; A34-L38 PolarHBondContact O-N 2.99Å; K35-L38 PolarHBondContact O-N 2.98Å; L38-H40 VanDerWaalsContact C-N 3.29Å; L38-H40 PolarHBondContact O-N 3.34Å; L38-A41 PolarHBondContact O-N 3.19Å; L38-F42 WeakPolarHBondContact O-CB 3.24Å; L38-F42 PolarHBondContact O-N 2.94Å; L38-A54 HydrophobicContact CD1-CB 4.43Å; L38-A54 HydrophobicContact CD2-CB 3.66Å; L38-L55 HydrophobicContact CB-CB 4.12Å; L38-L55 HydrophobicContact CB-CD1 3.71Å; L38-L55 HydrophobicContact CB-CG 4.42Å; L38-A58 HydrophobicContact CD1-CB 3.74Å
39E93.2Very high91.9Very high28 Ų2854.7 Ų54.713%0.13128%0.279CS..Hα-helixtrans-62.8-36173.1-73.1177.3166.900111.9K35 K36 K43 L55 S79K35-E39 WeakPolarHBondContact CE-OE1 3.27Å; K35-E39 WeakPolarHBondContact O-CG 3.38Å; K35-E39 PolarHBondContact O-N 2.71Å; K36-E39 PolarHBondContact O-N 2.85Å; E39-K43 WeakPolarHBondContact O-CG 3.35Å; E39-K43 PolarHBondContact O-N 3.4Å; E39-K43 VanDerWaalsContact O-N 3.13Å; E39-L55 HydrophobicContact CG-CD1 4.01Å; E39-S79 PolarHBondContact OE1-OG 2.99Å
40H94.1Very high92.3Very high76 Ų7657.5 Ų57.535%0.35228%0.284SS..Hα-helixtrans-67.2-47.7172.6-174.463.2000111.6E14 S18 K36 L37 L38 F42 K43 L44E14-H40 IonicContact OE1-CD2 3.82Å; E14-H40 IonicContact OE1-CE1 3.58Å; E14-H40 IonicContact OE1-NE2 3.09Å; E14-H40 PolarHBondContact OE1-NE2 3.5Å; S18-H40 PolarHBondContact OG-CD2 2.77Å; K36-H40 PolarHBondContact O-N 2.64Å; L37-H40 PolarHBondContact O-N 3.05Å; L38-H40 VanDerWaalsContact C-N 3.29Å; L38-H40 PolarHBondContact O-N 3.34Å; H40-F42 VanDerWaalsContact C-N 3.27Å; H40-F42 PolarHBondContact O-N 2.95Å; H40-K43 PolarHBondContact O-N 3.07Å; H40-K43 VanDerWaalsContact O-N 3.12Å; H40-L44 WeakPolarHBondContact NE2-CD1 3.26Å; H40-L44 WeakPolarHBondContact O-CG 3.21Å; H40-L44 PolarHBondContact O-N 3.42Å; H40-L44 VanDerWaalsContact O-N 3.17Å
41A95Very high92.6Very high0 Ų052.4 Ų52.40%026%0.261CS..Hα-helixtrans-56.9-41.9175.600000111.9A15 L37 L38 L44 D45 V51A15-A41 HydrophobicContact CB-CB 4.4Å; A15-A41 WeakPolarHBondContact O-CB 3.1Å; L37-A41 WeakPolarHBondContact O-CB 3.23Å; L37-A41 PolarHBondContact O-N 3.5Å; L38-A41 PolarHBondContact O-N 3.19Å; A41-L44 PolarHBondContact O-N 3.36Å; A41-D45 PolarHBondContact O-N 3.28Å; A41-V51 HydrophobicContact CB-CG1 3.78Å; A41-V51 HydrophobicContact CB-CG2 3.91Å
42F94Very high93Very high15 Ų1545.7 Ų45.77%0.06623%0.231CC..Hα-helixtrans-65.7-36.9177.5175.5-95.2000112.6L38 H40 L44 D45 P46 V51 L52 L55 L80 L102L38-F42 WeakPolarHBondContact O-CB 3.24Å; L38-F42 PolarHBondContact O-N 2.94Å; H40-F42 VanDerWaalsContact C-N 3.27Å; H40-F42 PolarHBondContact O-N 2.95Å; F42-L44 VanDerWaalsContact C-N 3.28Å; F42-L44 PolarHBondContact O-N 2.92Å; F42-D45 CarbonylContact O-C 3.52Å; F42-P46 HydrophobicContact CD2-CB 4.38Å; F42-P46 HydrophobicContact CE2-CB 4.09Å; F42-P46 HydrophobicContact CZ-CB 4.18Å; F42-P46 WeakPolarHBondContact O-CA 3.45Å; F42-P46 VanDerWaalsContact O-CB 3.26Å; F42-P46 WeakPolarHBondContact O-CB 3.32Å; F42-P46 WeakPolarHBondContact O-CD 3.34Å; F42-P46 VanDerWaalsContact O-N 3.13Å; F42-V51 HydrophobicContact CB-CG1 3.93Å; F42-L52 HydrophobicContact CD2-CD2 3.83Å; F42-L52 HydrophobicContact CE2-CD2 3.57Å; F42-L55 HydrophobicContact CB-CD2 3.75Å; F42-L55 HydrophobicContact CD2-CD2 4.3Å; F42-L55 HydrophobicContact CG-CD2 3.97Å; F42-L80 HydrophobicContact CD1-CD1 3.76Å; F42-L80 HydrophobicContact CD1-CD2 3.96Å; F42-L80 HydrophobicContact CD1-CG 4.43Å; F42-L80 HydrophobicContact CE1-CD1 3.72Å; F42-L80 HydrophobicContact CE1-CD2 3.46Å; F42-L80 VanDerWaalsContact CE1-CD2 3.46Å; F42-L80 HydrophobicContact CE1-CG 4.24Å; F42-L80 HydrophobicContact CG-CD1 4.28Å; F42-L80 HydrophobicContact CZ-CD1 4.2Å; F42-L80 HydrophobicContact CZ-CD2 4.3Å; F42-L102 HydrophobicContact CD2-CD2 4.25Å; F42-L102 HydrophobicContact CE2-CD2 3.85Å; F42-L102 HydrophobicContact CZ-CD2 4.4Å
43K91.9Very high93.5Very high154 Ų15442.5 Ų42.567%0.6720%0.203SC*.Hα-helixtrans-65.4-33.8175.5-75.7173.5-176.3178.20112.5E39 H40E39-K43 WeakPolarHBondContact O-CG 3.35Å; E39-K43 PolarHBondContact O-N 3.4Å; E39-K43 VanDerWaalsContact O-N 3.13Å; H40-K43 PolarHBondContact O-N 3.07Å; H40-K43 VanDerWaalsContact O-N 3.12Å
44L93.6Very high93.8Very high25 Ų2537.8 Ų37.813%0.13119%0.186CC..Hα-helixtrans-78.7-47179.6-68.1169.4000112.3P7 E11 E14 A15 H40 A41 F42P7-L44 WeakPolarHBondContact CB-O 3.43Å; P7-L44 VanDerWaalsContact CG-O 3.3Å; P7-L44 WeakPolarHBondContact CG-O 3.16Å; E11-L44 HydrophobicContact CB-CD2 4.37Å; E11-L44 HydrophobicContact CG-CD2 4.14Å; E14-L44 HydrophobicContact CB-CD1 3.87Å; E14-L44 HydrophobicContact CG-CD1 3.58Å; A15-L44 HydrophobicContact CB-CB 3.93Å; A15-L44 HydrophobicContact CB-CD1 4.42Å; H40-L44 WeakPolarHBondContact NE2-CD1 3.26Å; H40-L44 WeakPolarHBondContact O-CG 3.21Å; H40-L44 PolarHBondContact O-N 3.42Å; H40-L44 VanDerWaalsContact O-N 3.17Å; A41-L44 PolarHBondContact O-N 3.36Å; F42-L44 VanDerWaalsContact C-N 3.28Å; F42-L44 PolarHBondContact O-N 2.92Å
45D93.1Very high94Very high14 Ų1437.8 Ų37.88%0.07519%0.185CC..  trans-132.679.2-179.3-167.81.6000110.8P7 A15 A41 F42 D47 N48P7-D45 HydrophobicContact CG-CB 4.29Å; A15-D45 HydrophobicContact CB-CB 3.64Å; A41-D45 PolarHBondContact O-N 3.28Å; F42-D45 CarbonylContact O-C 3.52Å; D45-D47 PolarHBondContact O-N 3.24Å; D45-D47 VanDerWaalsContact O-N 3.15Å; D45-N48 HydrophobicContact CB-CB 4.06Å; D45-N48 WeakPolarHBondContact O-CB 3.35Å; D45-N48 PolarHBondContact O-N 3.49Å; D45-N48 WeakPolarHBondContact OD2-CB 3.44Å; D45-N48 PolarHBondContact OD2-ND2 3.45Å
46P90.6Very high94.2Very high39 Ų3936.1 Ų36.125%0.25318%0.178SC..THydrogen-bonded Turntrans-71.3-8.1-17128-36.2000114.3F42 K105F42-P46 HydrophobicContact CD2-CB 4.38Å; F42-P46 HydrophobicContact CE2-CB 4.09Å; F42-P46 HydrophobicContact CZ-CB 4.18Å; F42-P46 WeakPolarHBondContact O-CA 3.45Å; F42-P46 VanDerWaalsContact O-CB 3.26Å; F42-P46 WeakPolarHBondContact O-CB 3.32Å; F42-P46 WeakPolarHBondContact O-CD 3.34Å; F42-P46 VanDerWaalsContact O-N 3.13Å; P46-K105 WeakPolarHBondContact O-CE 3.35Å; P46-K105 PolarHBondContact O-NZ 2.92Å
47D91.4Very high94.4Very high35 Ų3532.1 Ų32.119%0.18716%0.162CC..THydrogen-bonded Turntrans-108.21.8179.2-68.3-25.9000112.3R4 D45 I49 K105 V109R4-D47 WeakPolarHBondContact CD-OD2 3.23Å; R4-D47 IonicContact CZ-OD2 2.74Å; R4-D47 IonicContact NE-OD2 3.97Å; R4-D47 IonicContact NH1-OD1 3.65Å; R4-D47 PolarHBondContact NH1-OD1 3.42Å; R4-D47 VanDerWaalsContact NH1-OD1 3.09Å; R4-D47 IonicContact NH1-OD2 3.76Å; R4-D47 PolarHBondContact NH1-OD2 2.87Å; D45-D47 PolarHBondContact O-N 3.24Å; D45-D47 VanDerWaalsContact O-N 3.15Å; D47-I49 PolarHBondContact O-N 3.27Å; D47-K105 VanDerWaalsContact OD1-CE 3.24Å; D47-K105 WeakPolarHBondContact OD1-CE 3.49Å; D47-K105 IonicContact OD1-NZ 2.75Å; D47-V109 HydrophobicContact CB-CG2 4.26Å
48N94.6Very high94.3Very high26 Ų2630.7 Ų30.714%0.13916%0.156CC..  trans-69.1116177.8-168.5-70.6000111.2D45 D50 V51 L52D45-N48 HydrophobicContact CB-CB 4.06Å; D45-N48 WeakPolarHBondContact O-CB 3.35Å; D45-N48 PolarHBondContact O-N 3.49Å; D45-N48 WeakPolarHBondContact OD2-CB 3.44Å; D45-N48 PolarHBondContact OD2-ND2 3.45Å; N48-D50 VanDerWaalsContact C-N 3.32Å; N48-D50 PolarHBondContact O-N 3.12Å; N48-D50 PolarHBondContact OD1-N 3.37Å; N48-V51 HydrophobicContact CB-CB 3.94Å; N48-V51 HydrophobicContact CB-CG2 3.8Å; N48-V51 PolarHBondContact O-N 3.3Å; N48-V51 PolarHBondContact OD1-N 3.33Å; N48-L52 VanDerWaalsContact O-CG 3.27Å; N48-L52 WeakPolarHBondContact O-CG 3.3Å; N48-L52 PolarHBondContact O-N 3.34Å
49I95.7Very high94.1Very high38 Ų3830.7 Ų30.720%0.19516%0.156CC..Hα-helixtrans-56.6-44.1-175.3-65.7168.3000111.9D47 L52 I53 V109 D110 I113D47-I49 PolarHBondContact O-N 3.27Å; I49-L52 PolarHBondContact O-N 2.95Å; I49-I53 HydrophobicContact CG2-CD1 3.83Å; I49-I53 WeakPolarHBondContact O-CG1 3.41Å; I49-I53 PolarHBondContact O-N 2.98Å; I49-V109 HydrophobicContact CD1-CG1 3.95Å; I49-V109 HydrophobicContact CG1-CB 4.22Å; I49-V109 HydrophobicContact CG1-CG1 3.89Å; I49-D110 HydrophobicContact CD1-CB 3.71Å; I49-I113 HydrophobicContact CD1-CD1 4.18Å; I49-I113 HydrophobicContact CD1-CG1 4.22Å; I49-I113 HydrophobicContact CG2-CD1 4.07Å; I49-I113 HydrophobicContact CG2-CG1 3.99Å; I49-I113 HydrophobicContact CG2-CG2 4.18Å
50D96.2Very high94Very high101 Ų10129.5 Ų29.554%0.5415%0.15SC..Hα-helixtrans-69.1-39.1-177.6-64.3-43.9000111.7L19 N48 A54L19-D50 HydrophobicContact CD2-CB 3.63Å; N48-D50 VanDerWaalsContact C-N 3.32Å; N48-D50 PolarHBondContact O-N 3.12Å; N48-D50 PolarHBondContact OD1-N 3.37Å; D50-A54 WeakPolarHBondContact O-CB 3.39Å; D50-A54 PolarHBondContact O-N 3.37Å
51V95.8Very high93.7Very high0 Ų029.3 Ų29.30%016%0.158CC..Hα-helixtrans-64-44.9174.6175.50000110.8L19 A41 F42 N48 A54 L55L19-V51 HydrophobicContact CB-CG2 4.34Å; L19-V51 HydrophobicContact CD2-CG2 4.18Å; A41-V51 HydrophobicContact CB-CG1 3.78Å; A41-V51 HydrophobicContact CB-CG2 3.91Å; F42-V51 HydrophobicContact CB-CG1 3.93Å; N48-V51 HydrophobicContact CB-CB 3.94Å; N48-V51 HydrophobicContact CB-CG2 3.8Å; N48-V51 PolarHBondContact O-N 3.3Å; N48-V51 PolarHBondContact OD1-N 3.33Å; V51-A54 PolarHBondContact O-N 2.81Å; V51-L55 WeakPolarHBondContact O-CB 3.49Å; V51-L55 PolarHBondContact O-N 2.82Å
52L96Very high93.3Very high0 Ų030.7 Ų30.70%017%0.167CC..Hα-helixtrans-59.3-49.6178.8-72.4169.6000111.5F42 N48 I49 G56 L102 K105 A106F42-L52 HydrophobicContact CD2-CD2 3.83Å; F42-L52 HydrophobicContact CE2-CD2 3.57Å; N48-L52 VanDerWaalsContact O-CG 3.27Å; N48-L52 WeakPolarHBondContact O-CG 3.3Å; N48-L52 PolarHBondContact O-N 3.34Å; I49-L52 PolarHBondContact O-N 2.95Å; L52-G56 PolarHBondContact O-N 3.35Å; L52-L102 HydrophobicContact CD2-CD2 3.75Å; L52-K105 HydrophobicContact CD1-CB 4.3Å; L52-K105 HydrophobicContact CD1-CD 4.45Å; L52-K105 HydrophobicContact CD1-CG 4.05Å; L52-K105 HydrophobicContact CD2-CB 4.26Å; L52-K105 HydrophobicContact CD2-CD 3.88Å; L52-K105 HydrophobicContact CD2-CG 4.21Å; L52-A106 HydrophobicContact CB-CB 4.12Å; L52-A106 HydrophobicContact CD1-CB 4.15Å
53I96.7Very high92.7Very high9 Ų930.5 Ų30.55%0.04617%0.166CC..Hα-helixtrans-64.3-50179.1-69165.2000110.6I49 L55 G56 E57 A106 I113 K115 A116I49-I53 HydrophobicContact CG2-CD1 3.83Å; I49-I53 WeakPolarHBondContact O-CG1 3.41Å; I49-I53 PolarHBondContact O-N 2.98Å; I53-L55 VanDerWaalsContact C-N 3.32Å; I53-L55 PolarHBondContact O-N 2.96Å; I53-G56 PolarHBondContact O-N 3.34Å; I53-G56 VanDerWaalsContact O-N 3.16Å; I53-E57 HydrophobicContact CG2-CG 4.35Å; I53-E57 WeakPolarHBondContact O-CG 3.37Å; I53-E57 PolarHBondContact O-N 3.05Å; I53-A106 HydrophobicContact CG1-CB 4.32Å; I53-I113 HydrophobicContact CD1-CG2 3.72Å; I53-K115 HydrophobicContact CD1-CB 4.36Å; I53-K115 HydrophobicContact CG2-CD 3.78Å; I53-K115 HydrophobicContact CG2-CG 4.06Å; I53-A116 HydrophobicContact CD1-CB 4.24Å; I53-A116 HydrophobicContact CG1-CB 4.25Å
54A95.9Very high92.1Very high15 Ų1528 Ų2812%0.12415%0.153CC..Hα-helixtrans-63.7-37.8-176.800000112.3L19 L38 D50 V51 A58L19-A54 HydrophobicContact CD1-CB 3.72Å; L38-A54 HydrophobicContact CD1-CB 4.43Å; L38-A54 HydrophobicContact CD2-CB 3.66Å; D50-A54 WeakPolarHBondContact O-CB 3.39Å; D50-A54 PolarHBondContact O-N 3.37Å; V51-A54 PolarHBondContact O-N 2.81Å; A54-A58 WeakPolarHBondContact O-CB 3.47Å; A54-A58 PolarHBondContact O-N 3.48Å
55L95.1Very high91.3Very high0 Ų034.3 Ų34.30%018%0.176CC..Hα-helixtrans-67.6-41.9174-176.656.7000111.5L38 E39 F42 V51 I53 E57 A58 I59 L80 L102L38-L55 HydrophobicContact CB-CB 4.12Å; L38-L55 HydrophobicContact CB-CD1 3.71Å; L38-L55 HydrophobicContact CB-CG 4.42Å; E39-L55 HydrophobicContact CG-CD1 4.01Å; F42-L55 HydrophobicContact CB-CD2 3.75Å; F42-L55 HydrophobicContact CD2-CD2 4.3Å; F42-L55 HydrophobicContact CG-CD2 3.97Å; V51-L55 WeakPolarHBondContact O-CB 3.49Å; V51-L55 PolarHBondContact O-N 2.82Å; I53-L55 VanDerWaalsContact C-N 3.32Å; I53-L55 PolarHBondContact O-N 2.96Å; L55-E57 PolarHBondContact O-N 3.12Å; L55-A58 PolarHBondContact O-N 3.48Å; L55-I59 HydrophobicContact CD1-CD1 4.06Å; L55-I59 HydrophobicContact CD1-CG1 4.24Å; L55-I59 HydrophobicContact CG-CD1 4.02Å; L55-I59 VanDerWaalsContact O-CG1 3.3Å; L55-I59 WeakPolarHBondContact O-CG1 3.44Å; L55-I59 PolarHBondContact O-N 3.17Å; L55-L80 HydrophobicContact CD2-CD1 3.69Å; L55-L102 HydrophobicContact CB-CD1 4.13Å; L55-L102 HydrophobicContact CD2-CD1 4.05Å; L55-L102 HydrophobicContact CD2-CD2 4.37Å; L55-L102 HydrophobicContact CG-CD1 3.73Å
56G94.8Very high90.1Very high0 Ų035.6 Ų35.60%019%0.193CC..Hα-helixtrans-55.8-48.817300000111.9L52 I53 A58 I59 E60 Y103L52-G56 PolarHBondContact O-N 3.35Å; I53-G56 PolarHBondContact O-N 3.34Å; I53-G56 VanDerWaalsContact O-N 3.16Å; G56-A58 VanDerWaalsContact C-N 3.35Å; G56-A58 PolarHBondContact O-N 3.49Å; G56-I59 PolarHBondContact O-N 3.27Å; G56-E60 VanDerWaalsContact O-CB 3.29Å; G56-E60 WeakPolarHBondContact O-CB 3.46Å; G56-E60 PolarHBondContact O-N 3.04Å; G56-Y103 PolarHBondContact O-OH 3.46Å
57E94.8Very high88.9Confident57 Ų5740.3 Ų40.327%0.26621%0.209SC..Hα-helixtrans-62.9-39.8178.7-72.2-180129.500112.3I53 L55 S61 Y103 K115 H119I53-E57 HydrophobicContact CG2-CG 4.35Å; I53-E57 WeakPolarHBondContact O-CG 3.37Å; I53-E57 PolarHBondContact O-N 3.05Å; L55-E57 PolarHBondContact O-N 3.12Å; E57-S61 VanDerWaalsContact O-CB 3.29Å; E57-S61 WeakPolarHBondContact O-CB 3.42Å; E57-S61 PolarHBondContact O-N 2.85Å; E57-S61 PolarHBondContact O-OG 3.33Å; E57-Y103 WeakPolarHBondContact CA-OH 3.23Å; E57-Y103 PolarHBondContact N-OH 3.47Å; E57-Y103 VanDerWaalsContact N-OH 3.11Å; E57-K115 VanDerWaalsContact CD-CE 3.45Å; E57-K115 WeakPolarHBondContact OE1-CE 3.43Å; E57-K115 IonicContact OE1-NZ 2.96Å; E57-K115 PolarHBondContact OE1-NZ 2.97Å; E57-K115 IonicContact OE2-NZ 2.87Å; E57-K115 PolarHBondContact OE2-NZ 2.9Å; E57-H119 IonicContact OE1-CE1 3.6Å; E57-H119 IonicContact OE1-NE2 3.32Å; E57-H119 PolarHBondContact OE1-NE2 3.12Å
58A92.3Very high87.4Confident11 Ų1143.2 Ų43.29%0.09123%0.232CC..Hα-helixtrans-66.7-39.2177.400000112.2L38 A54 L55 G56 S62L38-A58 HydrophobicContact CD1-CB 3.74Å; A54-A58 WeakPolarHBondContact O-CB 3.47Å; A54-A58 PolarHBondContact O-N 3.48Å; L55-A58 PolarHBondContact O-N 3.48Å; G56-A58 VanDerWaalsContact C-N 3.35Å; G56-A58 PolarHBondContact O-N 3.49Å; A58-S62 PolarHBondContact O-N 2.92Å; A58-S62 PolarHBondContact O-OG 2.83Å
59I90.9Very high85.5Confident1 Ų144.4 Ų44.41%0.00524%0.24CC..Hα-helixtrans-69.2-46.4176.2-70.2174.8000110.4L55 G56 S61 S62 Y63 L95 T98 A99 L102L55-I59 HydrophobicContact CD1-CD1 4.06Å; L55-I59 HydrophobicContact CD1-CG1 4.24Å; L55-I59 HydrophobicContact CG-CD1 4.02Å; L55-I59 VanDerWaalsContact O-CG1 3.3Å; L55-I59 WeakPolarHBondContact O-CG1 3.44Å; L55-I59 PolarHBondContact O-N 3.17Å; G56-I59 PolarHBondContact O-N 3.27Å; I59-S61 VanDerWaalsContact C-N 3.34Å; I59-S61 PolarHBondContact O-N 2.79Å; I59-S62 VanDerWaalsContact O-CB 3.25Å; I59-S62 WeakPolarHBondContact O-CB 3.26Å; I59-S62 PolarHBondContact O-N 3.48Å; I59-S62 VanDerWaalsContact O-N 3.08Å; I59-Y63 PolarHBondContact O-N 3.14Å; I59-L95 HydrophobicContact CG2-CB 4.14Å; I59-L95 HydrophobicContact CG2-CD2 3.84Å; I59-L95 WeakPolarHBondContact CG2-O 3.36Å; I59-T98 HydrophobicContact CD1-CG2 3.78Å; I59-A99 HydrophobicContact CB-CB 4.42Å; I59-A99 HydrophobicContact CG2-CB 4.09Å; I59-L102 HydrophobicContact CD1-CD1 3.7Å
60E90.8Very high83.1Confident4 Ų447.6 Ų47.62%0.01927%0.266CS..Hα-helixtrans-61.6-41177.7-176.3177-174.200111.9G56 S62 Y63 Y64 I96 A99 Y103 H119 R122 L123G56-E60 VanDerWaalsContact O-CB 3.29Å; G56-E60 WeakPolarHBondContact O-CB 3.46Å; G56-E60 PolarHBondContact O-N 3.04Å; E60-S62 PolarHBondContact O-N 2.88Å; E60-Y63 WeakPolarHBondContact O-CB 3.35Å; E60-Y63 PolarHBondContact O-N 2.96Å; E60-Y63 VanDerWaalsContact O-N 3.07Å; E60-Y64 HydrophobicContact CG-CD2 3.95Å; E60-Y64 HydrophobicContact CG-CE2 3.6Å; E60-Y64 WeakPolarHBondContact O-CD2 3.44Å; E60-Y64 PolarHBondContact O-N 3.42Å; E60-I96 HydrophobicContact CG-CD1 4.48Å; E60-A99 HydrophobicContact CB-CB 4.12Å; E60-Y103 PolarHBondContact OE2-OH 3.47Å; E60-H119 IonicContact OE2-ND1 3.21Å; E60-R122 IonicContact OE1-CZ 2.63Å; E60-R122 IonicContact OE1-NE 2.75Å; E60-R122 PolarHBondContact OE1-NE 2.49Å; E60-R122 IonicContact OE1-NH2 3.2Å; E60-R122 PolarHBondContact OE1-NH2 3.41Å; E60-R122 IonicContact OE2-NH2 3.6Å; E60-R122 PolarHBondContact OE2-NH2 3.11Å; E60-L123 WeakPolarHBondContact OE1-CD2 3.49Å
61S88.6Confident80.6Confident72 Ų7254.5 Ų54.550%0.50329%0.285SS..Hα-helixtrans-60.1-34.7174.5-61.80000112.1E57 I59 Y63 Y64 Y65E57-S61 VanDerWaalsContact O-CB 3.29Å; E57-S61 WeakPolarHBondContact O-CB 3.42Å; E57-S61 PolarHBondContact O-N 2.85Å; E57-S61 PolarHBondContact O-OG 3.33Å; I59-S61 VanDerWaalsContact C-N 3.34Å; I59-S61 PolarHBondContact O-N 2.79Å; S61-Y63 VanDerWaalsContact C-N 3.31Å; S61-Y63 PolarHBondContact O-N 2.88Å; S61-Y64 PolarHBondContact O-N 3.4Å; S61-Y65 VanDerWaalsContact O-CB 3.29Å; S61-Y65 WeakPolarHBondContact O-CB 3.46Å; S61-Y65 PolarHBondContact O-N 3.42Å
62S85.4Confident78Confident28 Ų2860 Ų6020%0.19632%0.318CS..Hα-helixtrans-65.2-35.6176.4-54.40000111.7A58 I59 E60 G66A58-S62 PolarHBondContact O-N 2.92Å; A58-S62 PolarHBondContact O-OG 2.83Å; I59-S62 VanDerWaalsContact O-CB 3.25Å; I59-S62 WeakPolarHBondContact O-CB 3.26Å; I59-S62 PolarHBondContact O-N 3.48Å; I59-S62 VanDerWaalsContact O-N 3.08Å; E60-S62 PolarHBondContact O-N 2.88Å; S62-G66 PolarHBondContact O-N 3.47Å
63Y82.8Confident75.4Confident11 Ų1164.2 Ų64.24%0.04335%0.353CS..Hα-helixtrans-65.2-49.7174.8167.2-98.2000112.2I59 E60 S61 Y65 G66 K67 A92 I96I59-Y63 PolarHBondContact O-N 3.14Å; E60-Y63 WeakPolarHBondContact O-CB 3.35Å; E60-Y63 PolarHBondContact O-N 2.96Å; E60-Y63 VanDerWaalsContact O-N 3.07Å; S61-Y63 VanDerWaalsContact C-N 3.31Å; S61-Y63 PolarHBondContact O-N 2.88Å; Y63-Y65 VanDerWaalsContact C-N 3.35Å; Y63-Y65 PolarHBondContact O-N 3.23Å; Y63-G66 PolarHBondContact O-N 3.4Å; Y63-K67 HydrophobicContact CE1-CD 4.11Å; Y63-K67 VanDerWaalsContact CZ-CE 3.44Å; Y63-K67 PolarHBondContact O-N 3.16Å; Y63-K67 VanDerWaalsContact O-N 3.08Å; Y63-K67 WeakPolarHBondContact OH-CE 3.23Å; Y63-K67 PolarHBondContact OH-NZ 3.29Å; Y63-A92 HydrophobicContact CD2-CB 3.69Å; Y63-A92 WeakPolarHBondContact CD2-O 3.4Å; Y63-A92 HydrophobicContact CE2-CB 3.76Å; Y63-I96 HydrophobicContact CD1-CD1 3.36Å; Y63-I96 HydrophobicContact CD1-CG1 3.76Å; Y63-I96 HydrophobicContact CD2-CD1 4.03Å; Y63-I96 HydrophobicContact CD2-CG1 3.52Å; Y63-I96 HydrophobicContact CE1-CD1 3.64Å; Y63-I96 HydrophobicContact CE1-CG1 3.76Å; Y63-I96 HydrophobicContact CE2-CD1 4.29Å; Y63-I96 HydrophobicContact CE2-CG1 3.54Å; Y63-I96 HydrophobicContact CG-CD1 3.53Å; Y63-I96 HydrophobicContact CG-CG1 3.59Å
64Y79Confident73.1Confident102 Ų10267.1 Ų67.140%0.437%0.369SS..Hα-helixtrans-67.5-35.6179.9-72.5-69.6000112.5E60 S61 K67 S68E60-Y64 HydrophobicContact CG-CD2 3.95Å; E60-Y64 HydrophobicContact CG-CE2 3.6Å; E60-Y64 WeakPolarHBondContact O-CD2 3.44Å; E60-Y64 PolarHBondContact O-N 3.42Å; S61-Y64 PolarHBondContact O-N 3.4Å; Y64-K67 PolarHBondContact O-N 3.17Å; Y64-S68 PolarHBondContact O-N 3.18Å
65Y75.9Confident70.3Confident158 Ų15871.5 Ų71.562%0.6240%0.395SS*.Hα-helixtrans-63.3-44173.4-172-95.9000111.8S61 Y63 K67 S68 V69S61-Y65 VanDerWaalsContact O-CB 3.29Å; S61-Y65 WeakPolarHBondContact O-CB 3.46Å; S61-Y65 PolarHBondContact O-N 3.42Å; Y63-Y65 VanDerWaalsContact C-N 3.35Å; Y63-Y65 PolarHBondContact O-N 3.23Å; Y65-K67 VanDerWaalsContact C-N 3.3Å; Y65-K67 PolarHBondContact O-N 3.45Å; Y65-S68 WeakPolarHBondContact O-CB 3.4Å; Y65-S68 PolarHBondContact O-N 3.37Å; Y65-S68 VanDerWaalsContact O-N 3.08Å; Y65-V69 HydrophobicContact CD1-CG2 4.42Å; Y65-V69 HydrophobicContact CE1-CB 4.48Å; Y65-V69 HydrophobicContact CE1-CG2 3.92Å; Y65-V69 HydrophobicContact CE2-CG2 4.17Å; Y65-V69 PolarHBondContact O-N 3.37Å
66G68.2Low67.7Low41 Ų4179.9 Ų79.942%0.42344%0.44SS..Hα-helixtrans-62.4-32.3175.200000113.8S62 Y63 V69S62-G66 PolarHBondContact O-N 3.47Å; Y63-G66 PolarHBondContact O-N 3.4Å; G66-V69 VanDerWaalsContact O-O 3.13Å
67K65Low65Low137 Ų13782.9 Ų82.960%0.59646%0.458SS*.Hα-helixtrans-70.1-34.2170.8-81.5-169169.5-176.20113.1Y63 Y64 Y65Y63-K67 HydrophobicContact CE1-CD 4.11Å; Y63-K67 VanDerWaalsContact CZ-CE 3.44Å; Y63-K67 PolarHBondContact O-N 3.16Å; Y63-K67 VanDerWaalsContact O-N 3.08Å; Y63-K67 WeakPolarHBondContact OH-CE 3.23Å; Y63-K67 PolarHBondContact OH-NZ 3.29Å; Y64-K67 PolarHBondContact O-N 3.17Å; Y65-K67 VanDerWaalsContact C-N 3.3Å; Y65-K67 PolarHBondContact O-N 3.45Å
68S60.2Low62.9Low96 Ų9690.4 Ų90.467%0.67149%0.49SS*.Hα-helixtrans-73-36.6178.1162.50000112.7Y64 Y65Y64-S68 PolarHBondContact O-N 3.18Å; Y65-S68 WeakPolarHBondContact O-CB 3.4Å; Y65-S68 PolarHBondContact O-N 3.37Å; Y65-S68 VanDerWaalsContact O-N 3.08Å
69V55Low61.7Low51 Ų5190.5 Ų90.531%0.30949%0.49SS..SBendtrans-107.395.5-177.1-175.10000108.9Y65 G66 R71 V72Y65-V69 HydrophobicContact CD1-CG2 4.42Å; Y65-V69 HydrophobicContact CE1-CB 4.48Å; Y65-V69 HydrophobicContact CE1-CG2 3.92Å; Y65-V69 HydrophobicContact CE2-CG2 4.17Å; Y65-V69 PolarHBondContact O-N 3.37Å; G66-V69 VanDerWaalsContact O-O 3.13Å; V69-R71 PolarHBondContact O-N 3.19Å; V69-R71 VanDerWaalsContact O-N 3.15Å; V69-V72 HydrophobicContact CG1-CG2 4.39Å
70S45.8Very low60.6Low106 Ų10691.9 Ų91.974%0.74150%0.497SS*.THydrogen-bonded Turntrans-55121.2171.1-71.10000110.4
71R44.3Very low59.4Low245 Ų24592.7 Ų92.793%0.92550%0.501SS*.THydrogen-bonded Turntrans88.531.6160.3-53.1177.7169-179.4-3.6120.8V69V69-R71 PolarHBondContact O-N 3.19Å; V69-R71 VanDerWaalsContact O-N 3.15Å
72V41Very low58.1Low115 Ų11592.4 Ų92.470%0.69750%0.497SS*.  trans-112.5117.6163.5-173.50000110.6V69 L74V69-V72 HydrophobicContact CG1-CG2 4.39Å; V72-L74 PolarHBondContact O-N 2.84Å
73A41.5Very low57.5Low90 Ų9092.5 Ų92.574%0.74450%0.497SS*.PPolyproline II helixtrans-65.9128.4172.100000109.7
74L48Very low57.4Low70 Ų7092.4 Ų92.437%0.36650%0.497SS..PPolyproline II helixtrans-77.5145.3174.3-73.9162000109.1V72 E91 L95V72-L74 PolarHBondContact O-N 2.84Å; L74-E91 VanDerWaalsContact CB-OE1 3.29Å; L74-E91 WeakPolarHBondContact CB-OE1 3.24Å; L74-L95 HydrophobicContact CD1-CD1 4Å
75P36.9Very low56.8Low106 Ų10687.6 Ų87.669%0.68848%0.478SS*.PPolyproline II helixtrans-70.2135.4-176.9-17.930.5000113.2T77P75-T77 PolarHBondContact O-N 3.44Å; P75-T77 VanDerWaalsContact O-N 3.07Å
76L40.9Very low56.3Low177 Ų17784.6 Ų84.693%0.92747%0.469SS*.  trans-53.8110.6167.5-108.383.7000109.9
77T38Very low55.8Low63 Ų6383.4 Ų83.439%0.38745%0.453SS..  trans-109.9150.9168.942.80000109P75 S79P75-T77 PolarHBondContact O-N 3.44Å; P75-T77 VanDerWaalsContact O-N 3.07Å; T77-S79 WeakPolarHBondContact O-CB 3.34Å; T77-S79 PolarHBondContact O-N 3Å; T77-S79 WeakPolarHBondContact OG1-CB 3.37Å
78K50.9Low55.3Low214 Ų21477.8 Ų77.893%0.9343%0.432SS*.SBendtrans-65.564.2164.7-71.4-177.3177.1-178.50109.1
79S66.6Low55.5Low13 Ų1380.9 Ų80.99%0.09144%0.441CS..  trans-95.2173-164.3-168.20000111.3E39 T77 I81 P82E39-S79 PolarHBondContact OE1-OG 2.99Å; T77-S79 WeakPolarHBondContact O-CB 3.34Å; T77-S79 PolarHBondContact O-N 3Å; T77-S79 WeakPolarHBondContact OG1-CB 3.37Å; S79-I81 PolarHBondContact O-N 3.14Å; S79-P82 WeakPolarHBondContact O-CD 2.84Å; S79-P82 WeakPolarHBondContact O-CG 3.48Å
80L67.7Low56.6Low30 Ų3081.7 Ų81.716%0.15744%0.443CS..SBendtrans-68-19.4168.8-59.7175.4000112.3F42 L55 V83 Y84 T98 L102F42-L80 HydrophobicContact CD1-CD1 3.76Å; F42-L80 HydrophobicContact CD1-CD2 3.96Å; F42-L80 HydrophobicContact CD1-CG 4.43Å; F42-L80 HydrophobicContact CE1-CD1 3.72Å; F42-L80 HydrophobicContact CE1-CD2 3.46Å; F42-L80 VanDerWaalsContact CE1-CD2 3.46Å; F42-L80 HydrophobicContact CE1-CG 4.24Å; F42-L80 HydrophobicContact CG-CD1 4.28Å; F42-L80 HydrophobicContact CZ-CD1 4.2Å; F42-L80 HydrophobicContact CZ-CD2 4.3Å; L55-L80 HydrophobicContact CD2-CD1 3.69Å; L80-V83 PolarHBondContact O-N 3.32Å; L80-Y84 HydrophobicContact CB-CD2 4.02Å; L80-Y84 HydrophobicContact CB-CE2 4.19Å; L80-Y84 HydrophobicContact CD2-CE2 4.22Å; L80-Y84 WeakPolarHBondContact O-CD2 3.38Å; L80-Y84 PolarHBondContact O-N 3.48Å; L80-T98 HydrophobicContact CB-CG2 3.92Å; L80-L102 HydrophobicContact CD1-CD2 4.31Å
81I65.1Low58.2Low22 Ų2280.6 Ų80.611%0.11343%0.427CS..Hα-helixtrans-57.4-48.2179-56166.8000112.3S79 V83 Y84 G85 H86 L95 T98S79-I81 PolarHBondContact O-N 3.14Å; I81-V83 PolarHBondContact O-N 2.88Å; I81-V83 VanDerWaalsContact O-N 3.13Å; I81-Y84 PolarHBondContact O-N 3.23Å; I81-G85 CarbonylContact O-C 3.56Å; I81-G85 VanDerWaalsContact O-CA 3.26Å; I81-G85 WeakPolarHBondContact O-CA 3.38Å; I81-G85 PolarHBondContact O-N 3.15Å; I81-H86 PolarHBondContact O-N 3.32Å; I81-L95 HydrophobicContact CD1-CD2 3.55Å; I81-L95 HydrophobicContact CD1-CG 4.37Å; I81-L95 HydrophobicContact CG1-CD2 4.36Å; I81-T98 WeakPolarHBondContact CA-OG1 3.21Å
82P62.7Low60.1Low65 Ų6570.2 Ų70.242%0.42239%0.393SS..Hα-helixtrans-46.5-37170.4-32.928.3000116S79S79-P82 WeakPolarHBondContact O-CD 2.84Å; S79-P82 WeakPolarHBondContact O-CG 3.48Å
83V72.3Confident62.4Low31 Ų3165 Ų6519%0.18836%0.361CS..Hα-helixtrans-84.1-48.1-175.8-175.10000110.6L80 I81 E342 L343L80-V83 PolarHBondContact O-N 3.32Å; I81-V83 PolarHBondContact O-N 2.88Å; I81-V83 VanDerWaalsContact O-N 3.13Å; V83-E342 HydrophobicContact CG1-CG 3.95Å; V83-L343 HydrophobicContact CG1-CD2 4.35Å; V83-L343 WeakPolarHBondContact O-CD2 3.5Å
84Y79.8Confident64.7Low9 Ų960.9 Ų60.94%0.03533%0.327CS..Hα-helixtrans-104.8-20-170.2-53-57000115.2L80 I81 T98 H101 T346 P354L80-Y84 HydrophobicContact CB-CD2 4.02Å; L80-Y84 HydrophobicContact CB-CE2 4.19Å; L80-Y84 HydrophobicContact CD2-CE2 4.22Å; L80-Y84 WeakPolarHBondContact O-CD2 3.38Å; L80-Y84 PolarHBondContact O-N 3.48Å; I81-Y84 PolarHBondContact O-N 3.23Å; Y84-T98 HydrophobicContact CD2-CG2 4.4Å; Y84-H101 AromaticContact CD1-CD2 3.44Å; Y84-H101 VanDerWaalsContact CD1-CD2 3.44Å; Y84-H101 WeakPolarHBondContact CD1-CD2 3.35Å; Y84-H101 AromaticContact CD1-CG 3.77Å; Y84-H101 AromaticContact CD1-NE2 3.67Å; Y84-H101 AromaticContact CD2-CD2 3.43Å; Y84-H101 VanDerWaalsContact CD2-CD2 3.43Å; Y84-H101 WeakPolarHBondContact CD2-CD2 3.5Å; Y84-H101 AromaticContact CE1-CD2 3.49Å; Y84-H101 VanDerWaalsContact CE1-CD2 3.49Å; Y84-H101 WeakPolarHBondContact CE1-CD2 3.44Å; Y84-H101 AromaticContact CE1-CE1 3.82Å; Y84-H101 AromaticContact CE1-NE2 3.24Å; Y84-H101 WeakPolarHBondContact CE1-NE2 3.35Å; Y84-H101 AromaticContact CE2-CD2 3.47Å; Y84-H101 VanDerWaalsContact CE2-CD2 3.47Å; Y84-H101 WeakPolarHBondContact CE2-CD2 3.29Å; Y84-H101 AromaticContact CE2-NE2 3.76Å; Y84-H101 HydrophobicContact CG-CB 4.28Å; Y84-H101 AromaticContact CG-CD2 3.41Å; Y84-H101 VanDerWaalsContact CG-CD2 3.41Å; Y84-H101 AromaticContact CG-CG 3.8Å; Y84-H101 AromaticContact CZ-CD2 3.5Å; Y84-H101 AromaticContact CZ-NE2 3.28Å; Y84-H101 VanDerWaalsContact CZ-NE2 3.28Å; Y84-T346 HydrophobicContact CE1-CG2 4.3Å; Y84-P354 HydrophobicContact CD1-CB 4.44Å; Y84-P354 HydrophobicContact CD1-CG 4.42Å
85G66.5Low66.7Low0 Ų057.7 Ų57.70%031%0.311CS..THydrogen-bonded Turntrans-124.1-14.3-169.900000116.4I81 V87 G94I81-G85 CarbonylContact O-C 3.56Å; I81-G85 VanDerWaalsContact O-CA 3.26Å; I81-G85 WeakPolarHBondContact O-CA 3.38Å; I81-G85 PolarHBondContact O-N 3.15Å; G85-V87 PolarHBondContact O-N 2.75Å; G85-G94 VanDerWaalsContact O-CA 3.28Å; G85-G94 WeakPolarHBondContact O-CA 3.3Å
86H66.3Low69.3Low96 Ų9652.7 Ų52.744%0.44428%0.278SS..THydrogen-bonded Turntrans-80.666.1-176.2-163.4-43.6000112.7I81 K361I81-H86 PolarHBondContact O-N 3.32Å; H86-K361 PolarHBondContact ND1-NZ 2.97Å; H86-K361 VanDerWaalsContact ND1-NZ 3.12Å; H86-K361 WeakPolarHBondContact O-CD 3.44Å; H86-K361 PolarHBondContact O-NZ 3.4Å
87V56.9Low71.8Confident15 Ų1544.2 Ų44.29%0.09123%0.234CC..THydrogen-bonded Turntrans-123.3-35.9178.3-173.70000109.8G85 I134 R357G85-V87 PolarHBondContact O-N 2.75Å; V87-I134 HydrophobicContact CB-CD1 4.17Å; V87-I134 HydrophobicContact CG1-CD1 3.66Å; V87-I134 HydrophobicContact CG1-CG1 4.35Å; V87-I134 HydrophobicContact CG1-CG2 4.06Å; V87-R357 HydrophobicContact CB-CB 4.09Å; V87-R357 HydrophobicContact CG1-CB 3.72Å; V87-R357 HydrophobicContact CG1-CG 4.26Å; V87-R357 WeakPolarHBondContact CG1-O 3.31Å; V87-R357 HydrophobicContact CG2-CB 3.46Å; V87-R357 VanDerWaalsContact CG2-CB 3.46Å; V87-R357 HydrophobicContact CG2-CG 4.24Å
88S54.5Low74.4Confident20 Ų2041.2 Ų41.214%0.1422%0.215CC..SBendtrans-89.4143.7171.1-175.50000110.5N90 D93S88-N90 PolarHBondContact O-N 2.89Å; S88-N90 VanDerWaalsContact O-N 3.1Å; S88-N90 WeakPolarHBondContact OG-CB 3.27Å; S88-N90 PolarHBondContact OG-N 3.44Å; S88-N90 VanDerWaalsContact OG-N 3.17Å; S88-D93 WeakPolarHBondContact CB-OD2 3.48Å; S88-D93 PolarHBondContact OG-OD2 3.25Å
89N64Low76.5Confident161 Ų16131 Ų3186%0.86117%0.171SC*.SBendtrans-65-4166.7-70.9-24.9000112.4
90N77.9Confident77.8Confident68 Ų6830.4 Ų30.436%0.36417%0.167SC..  trans-100.1116.9177.5-177.44.6000111.4S88 A92 D93 G94S88-N90 PolarHBondContact O-N 2.89Å; S88-N90 VanDerWaalsContact O-N 3.1Å; S88-N90 WeakPolarHBondContact OG-CB 3.27Å; S88-N90 PolarHBondContact OG-N 3.44Å; S88-N90 VanDerWaalsContact OG-N 3.17Å; N90-A92 PolarHBondContact O-N 3.01Å; N90-A92 VanDerWaalsContact OD1-CB 3.27Å; N90-A92 WeakPolarHBondContact OD1-CB 3.49Å; N90-A92 PolarHBondContact OD1-N 3.22Å; N90-D93 HydrophobicContact CB-CB 4.31Å; N90-D93 WeakPolarHBondContact CB-OD2 3.35Å; N90-D93 PolarHBondContact ND2-OD1 2.81Å; N90-D93 PolarHBondContact ND2-OD2 2.93Å; N90-D93 PolarHBondContact O-N 3.37Å; N90-D93 VanDerWaalsContact O-N 3.16Å; N90-G94 PolarHBondContact O-N 2.92Å
91E79.6Confident79.1Confident83 Ų8329.2 Ų29.239%0.38816%0.16SC..Hα-helixtrans-56.9-34.8176.1-174.7174.1-159.300112.6L74 D93 G94 L95L74-E91 VanDerWaalsContact CB-OE1 3.29Å; L74-E91 WeakPolarHBondContact CB-OE1 3.24Å; E91-D93 PolarHBondContact O-N 3.4Å; E91-G94 PolarHBondContact O-N 3.13Å; E91-L95 WeakPolarHBondContact O-CG 3.45Å; E91-L95 PolarHBondContact O-N 3.35Å; E91-L95 VanDerWaalsContact O-N 3.07Å
92A85.2Confident80.6Confident27 Ų2728.1 Ų28.122%0.22316%0.155CC..Hα-helixtrans-64.3-40.9179.400000112Y63 N90 G94 L95 I96Y63-A92 HydrophobicContact CD2-CB 3.69Å; Y63-A92 WeakPolarHBondContact CD2-O 3.4Å; Y63-A92 HydrophobicContact CE2-CB 3.76Å; N90-A92 PolarHBondContact O-N 3.01Å; N90-A92 VanDerWaalsContact OD1-CB 3.27Å; N90-A92 WeakPolarHBondContact OD1-CB 3.49Å; N90-A92 PolarHBondContact OD1-N 3.22Å; A92-G94 VanDerWaalsContact C-N 3.33Å; A92-L95 PolarHBondContact O-N 2.88Å; A92-I96 PolarHBondContact O-N 3.21Å
93D88.8Confident82.2Confident6 Ų625 Ų253%0.03214%0.135CC..Hα-helixtrans-64.2-43.3175.8-63.4-22.3000110S88 N90 E91 L95 I96 L97 I130 R133S88-D93 WeakPolarHBondContact CB-OD2 3.48Å; S88-D93 PolarHBondContact OG-OD2 3.25Å; N90-D93 HydrophobicContact CB-CB 4.31Å; N90-D93 WeakPolarHBondContact CB-OD2 3.35Å; N90-D93 PolarHBondContact ND2-OD1 2.81Å; N90-D93 PolarHBondContact ND2-OD2 2.93Å; N90-D93 PolarHBondContact O-N 3.37Å; N90-D93 VanDerWaalsContact O-N 3.16Å; E91-D93 PolarHBondContact O-N 3.4Å; D93-L95 VanDerWaalsContact C-N 3.27Å; D93-L95 PolarHBondContact O-N 3.05Å; D93-I96 PolarHBondContact O-N 3.47Å; D93-I96 VanDerWaalsContact O-N 3.13Å; D93-L97 WeakPolarHBondContact O-CG 3.39Å; D93-L97 PolarHBondContact O-N 3.05Å; D93-I130 HydrophobicContact CB-CD1 4.04Å; D93-I130 HydrophobicContact CB-CG1 4.25Å; D93-I130 HydrophobicContact CB-CG2 4.09Å; D93-R133 IonicContact OD1-CZ 3.05Å; D93-R133 IonicContact OD1-NH1 2.72Å; D93-R133 IonicContact OD1-NH2 3.63Å; D93-R133 PolarHBondContact OD1-NH2 2.9Å; D93-R133 IonicContact OD2-CZ 2.88Å; D93-R133 VanDerWaalsContact OD2-CZ 3.22Å; D93-R133 IonicContact OD2-NH1 2.91Å; D93-R133 PolarHBondContact OD2-NH1 2.85Å; D93-R133 IonicContact OD2-NH2 3.25Å; D93-R133 PolarHBondContact OD2-NH2 3.15Å
94G89.2Confident83.3Confident2 Ų224 Ų242%0.02113%0.128CC..Hα-helixtrans-59.4-35.7178.400000113.4G85 N90 E91 A92 T98G85-G94 VanDerWaalsContact O-CA 3.28Å; G85-G94 WeakPolarHBondContact O-CA 3.3Å; N90-G94 PolarHBondContact O-N 2.92Å; E91-G94 PolarHBondContact O-N 3.13Å; A92-G94 VanDerWaalsContact C-N 3.33Å; G94-T98 WeakPolarHBondContact O-CB 3.33Å; G94-T98 PolarHBondContact O-N 3.17Å; G94-T98 VanDerWaalsContact O-N 3.07Å; G94-T98 PolarHBondContact O-OG1 2.94Å
95L90.6Very high83.9Confident4 Ų424.9 Ų24.92%0.02113%0.132CC..Hα-helixtrans-63.8-48.3173.5-69.7168.7000111.8I59 L74 I81 E91 A92 D93 T98 A99I59-L95 HydrophobicContact CG2-CB 4.14Å; I59-L95 HydrophobicContact CG2-CD2 3.84Å; I59-L95 WeakPolarHBondContact CG2-O 3.36Å; L74-L95 HydrophobicContact CD1-CD1 4Å; I81-L95 HydrophobicContact CD1-CD2 3.55Å; I81-L95 HydrophobicContact CD1-CG 4.37Å; I81-L95 HydrophobicContact CG1-CD2 4.36Å; E91-L95 WeakPolarHBondContact O-CG 3.45Å; E91-L95 PolarHBondContact O-N 3.35Å; E91-L95 VanDerWaalsContact O-N 3.07Å; A92-L95 PolarHBondContact O-N 2.88Å; D93-L95 VanDerWaalsContact C-N 3.27Å; D93-L95 PolarHBondContact O-N 3.05Å; L95-T98 PolarHBondContact O-N 3.45Å; L95-A99 PolarHBondContact O-N 3.1Å
96I92Very high85.3Confident0 Ų024.9 Ų24.90%013%0.132CC..Hα-helixtrans-62.7-45.9179.6-71.6-56.4000111.7E60 Y63 A92 D93 T98 A99 E100 L123 I126 V127 I130E60-I96 HydrophobicContact CG-CD1 4.48Å; Y63-I96 HydrophobicContact CD1-CD1 3.36Å; Y63-I96 HydrophobicContact CD1-CG1 3.76Å; Y63-I96 HydrophobicContact CD2-CD1 4.03Å; Y63-I96 HydrophobicContact CD2-CG1 3.52Å; Y63-I96 HydrophobicContact CE1-CD1 3.64Å; Y63-I96 HydrophobicContact CE1-CG1 3.76Å; Y63-I96 HydrophobicContact CE2-CD1 4.29Å; Y63-I96 HydrophobicContact CE2-CG1 3.54Å; Y63-I96 HydrophobicContact CG-CD1 3.53Å; Y63-I96 HydrophobicContact CG-CG1 3.59Å; A92-I96 PolarHBondContact O-N 3.21Å; D93-I96 PolarHBondContact O-N 3.47Å; D93-I96 VanDerWaalsContact O-N 3.13Å; I96-T98 VanDerWaalsContact C-N 3.28Å; I96-T98 PolarHBondContact O-N 2.98Å; I96-A99 PolarHBondContact O-N 2.67Å; I96-E100 PolarHBondContact O-N 3.07Å; I96-L123 HydrophobicContact CD1-CD2 4.02Å; I96-L123 HydrophobicContact CG2-CD2 4.47Å; I96-I126 HydrophobicContact CG2-CG2 4.03Å; I96-V127 HydrophobicContact CG2-CG2 4Å; I96-I130 HydrophobicContact CB-CD1 4.16Å; I96-I130 HydrophobicContact CG2-CD1 3.92Å
97L93.2Very high86.6Confident0 Ų021.3 Ų21.30%012%0.116CC..Hα-helixtrans-62.2-37.8178.6-64.7-175.5000111.9D93 H101 V127 I130D93-L97 WeakPolarHBondContact O-CG 3.39Å; D93-L97 PolarHBondContact O-N 3.05Å; L97-H101 WeakPolarHBondContact O-CB 3.33Å; L97-H101 PolarHBondContact O-N 3.49Å; L97-V127 HydrophobicContact CD2-CB 4.36Å; L97-V127 HydrophobicContact CD2-CG1 3.84Å; L97-V127 HydrophobicContact CD2-CG2 4.18Å; L97-I130 HydrophobicContact CD1-CG2 3.95Å; L97-I130 HydrophobicContact CD2-CB 4.37Å; L97-I130 HydrophobicContact CD2-CD1 4.15Å; L97-I130 HydrophobicContact CD2-CG2 4.07Å; L97-I130 HydrophobicContact CG-CD1 4.39Å; L97-I130 HydrophobicContact CG-CG2 4.2Å
98T93.1Very high88.3Confident0 Ų023 Ų230%013%0.125CC..Hα-helixtrans-68.5-42.4176.4-54.70000111.5I59 L80 I81 Y84 G94 L95 I96 H101 L102I59-T98 HydrophobicContact CD1-CG2 3.78Å; L80-T98 HydrophobicContact CB-CG2 3.92Å; I81-T98 WeakPolarHBondContact CA-OG1 3.21Å; Y84-T98 HydrophobicContact CD2-CG2 4.4Å; G94-T98 WeakPolarHBondContact O-CB 3.33Å; G94-T98 PolarHBondContact O-N 3.17Å; G94-T98 VanDerWaalsContact O-N 3.07Å; G94-T98 PolarHBondContact O-OG1 2.94Å; L95-T98 PolarHBondContact O-N 3.45Å; I96-T98 VanDerWaalsContact C-N 3.28Å; I96-T98 PolarHBondContact O-N 2.98Å; T98-H101 PolarHBondContact O-N 2.79Å; T98-L102 WeakPolarHBondContact O-CG 3.47Å; T98-L102 PolarHBondContact O-N 3.02Å; T98-L102 VanDerWaalsContact O-N 3.12Å
99A94.2Very high90.1Very high0 Ų024.7 Ų24.70%013%0.133CC..Hα-helixtrans-63.3-45.9176.600000111.4I59 E60 L95 I96 H101 L102 Y103 L123I59-A99 HydrophobicContact CB-CB 4.42Å; I59-A99 HydrophobicContact CG2-CB 4.09Å; E60-A99 HydrophobicContact CB-CB 4.12Å; L95-A99 PolarHBondContact O-N 3.1Å; I96-A99 PolarHBondContact O-N 2.67Å; A99-H101 VanDerWaalsContact C-N 3.34Å; A99-H101 PolarHBondContact O-N 3.09Å; A99-L102 PolarHBondContact O-N 3.3Å; A99-L102 VanDerWaalsContact O-N 3.17Å; A99-Y103 HydrophobicContact CB-CE2 4.11Å; A99-Y103 WeakPolarHBondContact O-CD2 3.38Å; A99-Y103 PolarHBondContact O-N 3.15Å; A99-Y103 VanDerWaalsContact O-N 3.1Å; A99-L123 HydrophobicContact CB-CD1 4.17Å
100E95Very high91.5Very high0 Ų019.4 Ų19.40%011%0.105CC..Hα-helixtrans-59.7-43.5176.7-170.2-90.6147.200112.1I96 L102 Y103 T104 R120 L123 V127 R353I96-E100 PolarHBondContact O-N 3.07Å; E100-L102 VanDerWaalsContact C-N 3.32Å; E100-L102 PolarHBondContact O-N 3.27Å; E100-Y103 PolarHBondContact O-N 3.39Å; E100-T104 WeakPolarHBondContact O-CB 3.4Å; E100-T104 PolarHBondContact O-N 3.3Å; E100-T104 PolarHBondContact O-OG1 3.33Å; E100-T104 PolarHBondContact OE1-OG1 2.96Å; E100-R120 IonicContact OE1-NE 2.8Å; E100-L123 HydrophobicContact CB-CD1 4.21Å; E100-L123 HydrophobicContact CG-CB 4.49Å; E100-V127 HydrophobicContact CB-CG2 3.72Å; E100-V127 HydrophobicContact CG-CG2 3.68Å; E100-R353 IonicContact OE1-CZ 2.9Å; E100-R353 IonicContact OE1-NH1 3.15Å; E100-R353 PolarHBondContact OE1-NH1 3.04Å; E100-R353 IonicContact OE2-NH1 3.73Å; E100-R353 PolarHBondContact OE2-NH1 3.23Å; E100-R353 VanDerWaalsContact OE2-NH1 3.14Å
101H94.8Very high92.2Very high4 Ų421.1 Ų21.12%0.01912%0.12CC..Hα-helixtrans-58-43.2175.2176.662.1000112.2Y84 L97 T98 A99 Y103 T104 K105 T346 D351Y84-H101 AromaticContact CD1-CD2 3.44Å; Y84-H101 VanDerWaalsContact CD1-CD2 3.44Å; Y84-H101 WeakPolarHBondContact CD1-CD2 3.35Å; Y84-H101 AromaticContact CD1-CG 3.77Å; Y84-H101 AromaticContact CD1-NE2 3.67Å; Y84-H101 AromaticContact CD2-CD2 3.43Å; Y84-H101 VanDerWaalsContact CD2-CD2 3.43Å; Y84-H101 WeakPolarHBondContact CD2-CD2 3.5Å; Y84-H101 AromaticContact CE1-CD2 3.49Å; Y84-H101 VanDerWaalsContact CE1-CD2 3.49Å; Y84-H101 WeakPolarHBondContact CE1-CD2 3.44Å; Y84-H101 AromaticContact CE1-CE1 3.82Å; Y84-H101 AromaticContact CE1-NE2 3.24Å; Y84-H101 WeakPolarHBondContact CE1-NE2 3.35Å; Y84-H101 AromaticContact CE2-CD2 3.47Å; Y84-H101 VanDerWaalsContact CE2-CD2 3.47Å; Y84-H101 WeakPolarHBondContact CE2-CD2 3.29Å; Y84-H101 AromaticContact CE2-NE2 3.76Å; Y84-H101 HydrophobicContact CG-CB 4.28Å; Y84-H101 AromaticContact CG-CD2 3.41Å; Y84-H101 VanDerWaalsContact CG-CD2 3.41Å; Y84-H101 AromaticContact CG-CG 3.8Å; Y84-H101 AromaticContact CZ-CD2 3.5Å; Y84-H101 AromaticContact CZ-NE2 3.28Å; Y84-H101 VanDerWaalsContact CZ-NE2 3.28Å; L97-H101 WeakPolarHBondContact O-CB 3.33Å; L97-H101 PolarHBondContact O-N 3.49Å; T98-H101 PolarHBondContact O-N 2.79Å; A99-H101 VanDerWaalsContact C-N 3.34Å; A99-H101 PolarHBondContact O-N 3.09Å; H101-Y103 PolarHBondContact O-N 3.02Å; H101-T104 PolarHBondContact O-N 3.43Å; H101-K105 WeakPolarHBondContact O-CB 3.25Å; H101-K105 PolarHBondContact O-N 3.5Å; H101-T346 WeakPolarHBondContact CE1-CG2 3.25Å; H101-D351 IonicContact CE1-OD2 3.14Å; H101-D351 IonicContact CG-OD2 2.79Å; H101-D351 IonicContact ND1-OD2 3.84Å; H101-D351 PolarHBondContact ND1-OD2 3.45Å
102L95.4Very high92.8Very high0 Ų021.3 Ų21.30%013%0.131CC..Hα-helixtrans-63.7-40.3178.2-69.5169000112.3F42 L52 L55 I59 L80 T98 A99 E100 K105 A106F42-L102 HydrophobicContact CD2-CD2 4.25Å; F42-L102 HydrophobicContact CE2-CD2 3.85Å; F42-L102 HydrophobicContact CZ-CD2 4.4Å; L52-L102 HydrophobicContact CD2-CD2 3.75Å; L55-L102 HydrophobicContact CB-CD1 4.13Å; L55-L102 HydrophobicContact CD2-CD1 4.05Å; L55-L102 HydrophobicContact CD2-CD2 4.37Å; L55-L102 HydrophobicContact CG-CD1 3.73Å; I59-L102 HydrophobicContact CD1-CD1 3.7Å; L80-L102 HydrophobicContact CD1-CD2 4.31Å; T98-L102 WeakPolarHBondContact O-CG 3.47Å; T98-L102 PolarHBondContact O-N 3.02Å; T98-L102 VanDerWaalsContact O-N 3.12Å; A99-L102 PolarHBondContact O-N 3.3Å; A99-L102 VanDerWaalsContact O-N 3.17Å; E100-L102 VanDerWaalsContact C-N 3.32Å; E100-L102 PolarHBondContact O-N 3.27Å; L102-K105 PolarHBondContact O-N 3.28Å; L102-A106 PolarHBondContact O-N 2.87Å
103Y96.5Very high93.2Very high0 Ų021.6 Ų21.60%013%0.128CC..Hα-helixtrans-67.7-40.5174.8-57.1-49.2000112G56 E57 E60 A99 E100 H101 K105 A106 L107 H119 L123G56-Y103 PolarHBondContact O-OH 3.46Å; E57-Y103 WeakPolarHBondContact CA-OH 3.23Å; E57-Y103 PolarHBondContact N-OH 3.47Å; E57-Y103 VanDerWaalsContact N-OH 3.11Å; E60-Y103 PolarHBondContact OE2-OH 3.47Å; A99-Y103 HydrophobicContact CB-CE2 4.11Å; A99-Y103 WeakPolarHBondContact O-CD2 3.38Å; A99-Y103 PolarHBondContact O-N 3.15Å; A99-Y103 VanDerWaalsContact O-N 3.1Å; E100-Y103 PolarHBondContact O-N 3.39Å; H101-Y103 PolarHBondContact O-N 3.02Å; Y103-K105 VanDerWaalsContact C-N 3.31Å; Y103-K105 PolarHBondContact O-N 3.34Å; Y103-A106 WeakPolarHBondContact O-CB 3.45Å; Y103-A106 PolarHBondContact O-N 3.01Å; Y103-L107 WeakPolarHBondContact O-CG 3.2Å; Y103-L107 PolarHBondContact O-N 3Å; Y103-L107 VanDerWaalsContact O-N 3.07Å; Y103-H119 HydrophobicContact CD1-CB 3.86Å; Y103-H119 HydrophobicContact CD2-CB 3.59Å; Y103-H119 HydrophobicContact CE1-CB 3.77Å; Y103-H119 AromaticContact CE1-CD2 3.73Å; Y103-H119 AromaticContact CE1-CG 3.7Å; Y103-H119 HydrophobicContact CE2-CB 3.51Å; Y103-H119 AromaticContact CE2-CG 4Å; Y103-H119 HydrophobicContact CG-CB 3.76Å; Y103-H119 AromaticContact CZ-CG 3.56Å; Y103-H119 AromaticContact CZ-ND1 3.79Å; Y103-H119 PolarHBondContact OH-ND1 3Å; Y103-L123 HydrophobicContact CD2-CD1 3.92Å; Y103-L123 HydrophobicContact CE2-CD1 3.66Å
104T95.1Very high93.5Very high8 Ų826.3 Ų26.35%0.04916%0.159CC..Hα-helixtrans-61.1-40.9173.2-72.40000111E100 H101 A106 L107 I108 R120 D351E100-T104 WeakPolarHBondContact O-CB 3.4Å; E100-T104 PolarHBondContact O-N 3.3Å; E100-T104 PolarHBondContact O-OG1 3.33Å; E100-T104 PolarHBondContact OE1-OG1 2.96Å; H101-T104 PolarHBondContact O-N 3.43Å; T104-A106 PolarHBondContact O-N 3.17Å; T104-L107 PolarHBondContact O-N 3.06Å; T104-I108 HydrophobicContact CG2-CD1 4Å; T104-I108 WeakPolarHBondContact O-CG1 3.31Å; T104-I108 PolarHBondContact O-N 3.33Å; T104-R120 WeakPolarHBondContact OG1-CD 3.31Å; T104-R120 PolarHBondContact OG1-NE 2.97Å; T104-R120 VanDerWaalsContact OG1-NE 3.12Å; T104-D351 HydrophobicContact CG2-CB 3.85Å
105K93.8Very high93.8Very high28 Ų2830.8 Ų30.812%0.12218%0.178CC..Hα-helixtrans-62.4-40.3174.6-167.5172.4-177.9-168.10112.5P46 D47 L52 H101 L102 Y103 L107 I108 V109P46-K105 WeakPolarHBondContact O-CE 3.35Å; P46-K105 PolarHBondContact O-NZ 2.92Å; D47-K105 VanDerWaalsContact OD1-CE 3.24Å; D47-K105 WeakPolarHBondContact OD1-CE 3.49Å; D47-K105 IonicContact OD1-NZ 2.75Å; L52-K105 HydrophobicContact CD1-CB 4.3Å; L52-K105 HydrophobicContact CD1-CD 4.45Å; L52-K105 HydrophobicContact CD1-CG 4.05Å; L52-K105 HydrophobicContact CD2-CB 4.26Å; L52-K105 HydrophobicContact CD2-CD 3.88Å; L52-K105 HydrophobicContact CD2-CG 4.21Å; H101-K105 WeakPolarHBondContact O-CB 3.25Å; H101-K105 PolarHBondContact O-N 3.5Å; L102-K105 PolarHBondContact O-N 3.28Å; Y103-K105 VanDerWaalsContact C-N 3.31Å; Y103-K105 PolarHBondContact O-N 3.34Å; K105-L107 VanDerWaalsContact C-N 3.32Å; K105-L107 PolarHBondContact O-N 3.17Å; K105-I108 PolarHBondContact O-N 3.41Å; K105-V109 WeakPolarHBondContact O-CG2 3.47Å; K105-V109 PolarHBondContact O-N 3.32Å
106A95.1Very high94Very high0 Ų030.6 Ų30.60%018%0.177CC..Hα-helixtrans-61.5-41.1174.800000111.8L52 I53 L102 Y103 T104 V109 D110 A116L52-A106 HydrophobicContact CB-CB 4.12Å; L52-A106 HydrophobicContact CD1-CB 4.15Å; I53-A106 HydrophobicContact CG1-CB 4.32Å; L102-A106 PolarHBondContact O-N 2.87Å; Y103-A106 WeakPolarHBondContact O-CB 3.45Å; Y103-A106 PolarHBondContact O-N 3.01Å; T104-A106 PolarHBondContact O-N 3.17Å; A106-V109 PolarHBondContact O-N 3.36Å; A106-D110 PolarHBondContact O-N 3.45Å; A106-A116 HydrophobicContact CB-CB 3.97Å
107L94.8Very high94.1Very high22 Ų2233.6 Ų33.612%0.11520%0.197CC..Hα-helixtrans-71.5-27.1177.4-67169.9000113.6Y103 T104 K105 V109 D110 P111 A116 C117 R120Y103-L107 WeakPolarHBondContact O-CG 3.2Å; Y103-L107 PolarHBondContact O-N 3Å; Y103-L107 VanDerWaalsContact O-N 3.07Å; T104-L107 PolarHBondContact O-N 3.06Å; K105-L107 VanDerWaalsContact C-N 3.32Å; K105-L107 PolarHBondContact O-N 3.17Å; L107-V109 VanDerWaalsContact C-N 3.31Å; L107-D110 CarbonylContact O-C 3.33Å; L107-P111 WeakPolarHBondContact O-CA 3.14Å; L107-P111 WeakPolarHBondContact O-CD 3.49Å; L107-P111 WeakPolarHBondContact O-CG 3.45Å; L107-P111 VanDerWaalsContact O-N 3.1Å; L107-A116 HydrophobicContact CD2-CB 3.88Å; L107-A116 HydrophobicContact CG-CB 3.87Å; L107-C117 HydrophobicContact CD2-CB 4.34Å; L107-R120 HydrophobicContact CD1-CB 4.18Å; L107-R120 VanDerWaalsContact CD1-CD 3.47Å; L107-R120 HydrophobicContact CD1-CG 4.49Å
108I92.2Very high94.3Very high51 Ų5138.9 Ų38.926%0.26223%0.225SC..Hα-helixtrans-66.9-35.8170.8-72.8161.6000110.7T104 K105 D349 D351T104-I108 HydrophobicContact CG2-CD1 4Å; T104-I108 WeakPolarHBondContact O-CG1 3.31Å; T104-I108 PolarHBondContact O-N 3.33Å; K105-I108 PolarHBondContact O-N 3.41Å; I108-D349 WeakPolarHBondContact CD1-O 3.47Å; I108-D349 VanDerWaalsContact CG2-O 3.25Å; I108-D349 WeakPolarHBondContact CG2-O 3.44Å; I108-D351 HydrophobicContact CD1-CB 4.41Å
109V91.6Very high94.4Very high54 Ų5439.6 Ų39.633%0.32723%0.228SC..Hα-helixtrans-73.4-49.1176.6178.40000110.8D47 I49 K105 A106 L107D47-V109 HydrophobicContact CB-CG2 4.26Å; I49-V109 HydrophobicContact CD1-CG1 3.95Å; I49-V109 HydrophobicContact CG1-CB 4.22Å; I49-V109 HydrophobicContact CG1-CG1 3.89Å; K105-V109 WeakPolarHBondContact O-CG2 3.47Å; K105-V109 PolarHBondContact O-N 3.32Å; A106-V109 PolarHBondContact O-N 3.36Å; L107-V109 VanDerWaalsContact C-N 3.31Å
110D93Very high94.4Very high51 Ų5141.6 Ų41.627%0.27324%0.236SC..  trans-142.6106.1175.7-178.6-4.3000110.6I49 A106 L107 S112 I113I49-D110 HydrophobicContact CD1-CB 3.71Å; A106-D110 PolarHBondContact O-N 3.45Å; L107-D110 CarbonylContact O-C 3.33Å; D110-S112 VanDerWaalsContact CG-OG 3.32Å; D110-S112 PolarHBondContact O-N 2.85Å; D110-S112 VanDerWaalsContact O-N 3.14Å; D110-S112 WeakPolarHBondContact OD1-CB 3.33Å; D110-S112 PolarHBondContact OD1-N 3.49Å; D110-S112 PolarHBondContact OD1-OG 2.73Å; D110-S112 PolarHBondContact OD2-OG 3.44Å; D110-I113 HydrophobicContact CB-CD1 4.22Å; D110-I113 HydrophobicContact CB-CG1 3.71Å; D110-I113 WeakPolarHBondContact O-CG1 3.48Å; D110-I113 PolarHBondContact O-N 3.11Å; D110-I113 WeakPolarHBondContact OD2-CD1 3.1Å
111P92.9Very high94.3Very high104 Ų10448.2 Ų48.268%0.67527%0.267SS*.THydrogen-bonded Turntrans-64.4-15.4179.6-23.233000114.7L107L107-P111 WeakPolarHBondContact O-CA 3.14Å; L107-P111 WeakPolarHBondContact O-CD 3.49Å; L107-P111 WeakPolarHBondContact O-CG 3.45Å; L107-P111 VanDerWaalsContact O-N 3.1Å
112S92.6Very high94.3Very high87 Ų8753.8 Ų53.861%0.60829%0.287SS*.THydrogen-bonded Turntrans-86.3-4.9-174.574.20000114.1D110 P114D110-S112 VanDerWaalsContact CG-OG 3.32Å; D110-S112 PolarHBondContact O-N 2.85Å; D110-S112 VanDerWaalsContact O-N 3.14Å; D110-S112 WeakPolarHBondContact OD1-CB 3.33Å; D110-S112 PolarHBondContact OD1-N 3.49Å; D110-S112 PolarHBondContact OD1-OG 2.73Å; D110-S112 PolarHBondContact OD2-OG 3.44Å; S112-P114 WeakPolarHBondContact O-CD 3.3Å
113I93.9Very high94.3Very high33 Ų3353.8 Ų53.817%0.16929%0.287CS..  trans-69.1108-174.8-60.5-65.2000111.3I49 I53 D110 K115 A116 C117I49-I113 HydrophobicContact CD1-CD1 4.18Å; I49-I113 HydrophobicContact CD1-CG1 4.22Å; I49-I113 HydrophobicContact CG2-CD1 4.07Å; I49-I113 HydrophobicContact CG2-CG1 3.99Å; I49-I113 HydrophobicContact CG2-CG2 4.18Å; I53-I113 HydrophobicContact CD1-CG2 3.72Å; D110-I113 HydrophobicContact CB-CD1 4.22Å; D110-I113 HydrophobicContact CB-CG1 3.71Å; D110-I113 WeakPolarHBondContact O-CG1 3.48Å; D110-I113 PolarHBondContact O-N 3.11Å; D110-I113 WeakPolarHBondContact OD2-CD1 3.1Å; I113-K115 VanDerWaalsContact C-N 3.32Å; I113-K115 PolarHBondContact O-N 2.78Å; I113-A116 HydrophobicContact CB-CB 4.3Å; I113-A116 HydrophobicContact CG2-CB 3.94Å; I113-A116 PolarHBondContact O-N 3.09Å; I113-C117 PolarHBondContact O-N 3.38Å; I113-C117 VanDerWaalsContact O-N 3.15Å
114P94.8Very high94.2Very high105 Ų10555.1 Ų55.168%0.68229%0.294SS*.Hα-helixtrans-66.1-35.4-171.3-2335.7000113S112 C117 L118S112-P114 WeakPolarHBondContact O-CD 3.3Å; P114-C117 WeakPolarHBondContact O-CB 3.47Å; P114-C117 PolarHBondContact O-N 3.2Å; P114-L118 WeakPolarHBondContact O-CB 3.42Å; P114-L118 PolarHBondContact O-N 3.32Å
115K95.3Very high94.2Very high95 Ų9558.5 Ų58.541%0.41332%0.316SS..Hα-helixtrans-65.6-47.7-178-170170.2176.5-1650111.5I53 E57 I113 C117 L118 H119I53-K115 HydrophobicContact CD1-CB 4.36Å; I53-K115 HydrophobicContact CG2-CD 3.78Å; I53-K115 HydrophobicContact CG2-CG 4.06Å; E57-K115 VanDerWaalsContact CD-CE 3.45Å; E57-K115 WeakPolarHBondContact OE1-CE 3.43Å; E57-K115 IonicContact OE1-NZ 2.96Å; E57-K115 PolarHBondContact OE1-NZ 2.97Å; E57-K115 IonicContact OE2-NZ 2.87Å; E57-K115 PolarHBondContact OE2-NZ 2.9Å; I113-K115 VanDerWaalsContact C-N 3.32Å; I113-K115 PolarHBondContact O-N 2.78Å; K115-C117 VanDerWaalsContact C-N 3.32Å; K115-C117 PolarHBondContact O-N 2.86Å; K115-L118 PolarHBondContact O-N 3.32Å; K115-H119 PolarHBondContact O-CD2 3.34Å; K115-H119 PolarHBondContact O-N 3.09Å
116A94.3Very high94.1Very high0 Ų059.1 Ų59.10%032%0.32CS..Hα-helixtrans-63.3-38.9176.200000111.8I53 A106 L107 I113 H119 R120I53-A116 HydrophobicContact CD1-CB 4.24Å; I53-A116 HydrophobicContact CG1-CB 4.25Å; A106-A116 HydrophobicContact CB-CB 3.97Å; L107-A116 HydrophobicContact CD2-CB 3.88Å; L107-A116 HydrophobicContact CG-CB 3.87Å; I113-A116 HydrophobicContact CB-CB 4.3Å; I113-A116 HydrophobicContact CG2-CB 3.94Å; I113-A116 PolarHBondContact O-N 3.09Å; A116-H119 PolarHBondContact O-N 3.41Å; A116-R120 WeakPolarHBondContact O-CB 3.32Å; A116-R120 PolarHBondContact O-N 3.46Å
117C94.7Very high94Very high63 Ų6359.1 Ų59.143%0.42632%0.32SS..Hα-helixtrans-59.2-50.4174.9-170.60000111.6L107 I113 P114 K115 H119 R120 E121L107-C117 HydrophobicContact CD2-CB 4.34Å; I113-C117 PolarHBondContact O-N 3.38Å; I113-C117 VanDerWaalsContact O-N 3.15Å; P114-C117 WeakPolarHBondContact O-CB 3.47Å; P114-C117 PolarHBondContact O-N 3.2Å; K115-C117 VanDerWaalsContact C-N 3.32Å; K115-C117 PolarHBondContact O-N 2.86Å; C117-H119 PolarHBondContact O-N 2.9Å; C117-R120 PolarHBondContact O-N 2.88Å; C117-E121 WeakPolarHBondContact O-CB 3.39Å; C117-E121 PolarHBondContact O-N 2.88Å
118L96.4Very high93.9Very high111 Ų11162 Ų6258%0.58133%0.333SS*.Hα-helixtrans-60.9-44.3179.2-177.968.2000112.4P114 K115 R122P114-L118 WeakPolarHBondContact O-CB 3.42Å; P114-L118 PolarHBondContact O-N 3.32Å; K115-L118 PolarHBondContact O-N 3.32Å; L118-R122 WeakPolarHBondContact O-CB 3.48Å; L118-R122 PolarHBondContact O-N 3.05Å; L118-R122 VanDerWaalsContact O-N 3.07Å
119H95.9Very high94Very high15 Ų1565.9 Ų65.97%0.06935%0.35CS..Hα-helixtrans-63.2-44.8177.2-74.4-68.5000111.8E57 E60 Y103 K115 A116 C117 R122 L123E57-H119 IonicContact OE1-CE1 3.6Å; E57-H119 IonicContact OE1-NE2 3.32Å; E57-H119 PolarHBondContact OE1-NE2 3.12Å; E60-H119 IonicContact OE2-ND1 3.21Å; Y103-H119 HydrophobicContact CD1-CB 3.86Å; Y103-H119 HydrophobicContact CD2-CB 3.59Å; Y103-H119 HydrophobicContact CE1-CB 3.77Å; Y103-H119 AromaticContact CE1-CD2 3.73Å; Y103-H119 AromaticContact CE1-CG 3.7Å; Y103-H119 HydrophobicContact CE2-CB 3.51Å; Y103-H119 AromaticContact CE2-CG 4Å; Y103-H119 HydrophobicContact CG-CB 3.76Å; Y103-H119 AromaticContact CZ-CG 3.56Å; Y103-H119 AromaticContact CZ-ND1 3.79Å; Y103-H119 PolarHBondContact OH-ND1 3Å; K115-H119 PolarHBondContact O-CD2 3.34Å; K115-H119 PolarHBondContact O-N 3.09Å; A116-H119 PolarHBondContact O-N 3.41Å; C117-H119 PolarHBondContact O-N 2.9Å; H119-R122 PolarHBondContact ND1-NH2 3.15Å; H119-R122 PolarHBondContact O-N 3.04Å; H119-L123 WeakPolarHBondContact O-CG 3.4Å; H119-L123 PolarHBondContact O-N 3.45Å
120R93.8Very high94Very high43 Ų4363.4 Ų63.416%0.16234%0.335CS..Hα-helixtrans-63.5-49.9178.4-173.7176177.9-127.34.4110.9E100 T104 L107 A116 C117 R122 L123 M124E100-R120 IonicContact OE1-NE 2.8Å; T104-R120 WeakPolarHBondContact OG1-CD 3.31Å; T104-R120 PolarHBondContact OG1-NE 2.97Å; T104-R120 VanDerWaalsContact OG1-NE 3.12Å; L107-R120 HydrophobicContact CD1-CB 4.18Å; L107-R120 VanDerWaalsContact CD1-CD 3.47Å; L107-R120 HydrophobicContact CD1-CG 4.49Å; A116-R120 WeakPolarHBondContact O-CB 3.32Å; A116-R120 PolarHBondContact O-N 3.46Å; C117-R120 PolarHBondContact O-N 2.88Å; R120-R122 PolarHBondContact O-N 3.13Å; R120-L123 PolarHBondContact O-N 3.2Å; R120-M124 HydrophobicContact CG-CG 4.08Å; R120-M124 HydrophobicContact CG-SD 4.19Å; R120-M124 VanDerWaalsContact O-CG 3.24Å; R120-M124 WeakPolarHBondContact O-CG 3.31Å; R120-M124 PolarHBondContact O-N 2.86Å
121E94.1Very high94Very high138 Ų13861.7 Ų61.765%0.64533%0.326SS*.Hα-helixtrans-54.1-42.3177.6-174.6178.7-172.200111.9C117 P125C117-E121 WeakPolarHBondContact O-CB 3.39Å; C117-E121 PolarHBondContact O-N 2.88Å; E121-P125 WeakPolarHBondContact O-CD 3.3Å
122R95.1Very high94Very high121 Ų12158.7 Ų58.746%0.45730%0.303SS..Hα-helixtrans-64.8-41.6175.5-179.3177.869.7-160.7-3113.2E60 L118 H119 R120E60-R122 IonicContact OE1-CZ 2.63Å; E60-R122 IonicContact OE1-NE 2.75Å; E60-R122 PolarHBondContact OE1-NE 2.49Å; E60-R122 IonicContact OE1-NH2 3.2Å; E60-R122 PolarHBondContact OE1-NH2 3.41Å; E60-R122 IonicContact OE2-NH2 3.6Å; E60-R122 PolarHBondContact OE2-NH2 3.11Å; L118-R122 WeakPolarHBondContact O-CB 3.48Å; L118-R122 PolarHBondContact O-N 3.05Å; L118-R122 VanDerWaalsContact O-N 3.07Å; H119-R122 PolarHBondContact ND1-NH2 3.15Å; H119-R122 PolarHBondContact O-N 3.04Å; R120-R122 PolarHBondContact O-N 3.13Å
123L94.6Very high94.1Very high0 Ų059.4 Ų59.40%029%0.293CS..Hα-helixtrans-81.4-25.2-175.7-70.7-171.1000113.4E60 I96 A99 E100 Y103 H119 R120 I126 V127E60-L123 WeakPolarHBondContact OE1-CD2 3.49Å; I96-L123 HydrophobicContact CD1-CD2 4.02Å; I96-L123 HydrophobicContact CG2-CD2 4.47Å; A99-L123 HydrophobicContact CB-CD1 4.17Å; E100-L123 HydrophobicContact CB-CD1 4.21Å; E100-L123 HydrophobicContact CG-CB 4.49Å; Y103-L123 HydrophobicContact CD2-CD1 3.92Å; Y103-L123 HydrophobicContact CE2-CD1 3.66Å; H119-L123 WeakPolarHBondContact O-CG 3.4Å; H119-L123 PolarHBondContact O-N 3.45Å; R120-L123 PolarHBondContact O-N 3.2Å; L123-I126 HydrophobicContact CD2-CD1 4.35Å; L123-I126 WeakPolarHBondContact O-CB 3.32Å; L123-I126 PolarHBondContact O-N 3.09Å; L123-V127 HydrophobicContact CB-CG2 4.43Å; L123-V127 WeakPolarHBondContact O-CG2 3.39Å; L123-V127 PolarHBondContact O-N 3.21Å
124M94.2Very high94Very high28 Ų2858.6 Ų58.614%0.13829%0.288CS..Hα-helixtrans-50.1-49.2-174.5-85.3-48.7-50.600114R120 I126 V127 E128 R353R120-M124 HydrophobicContact CG-CG 4.08Å; R120-M124 HydrophobicContact CG-SD 4.19Å; R120-M124 VanDerWaalsContact O-CG 3.24Å; R120-M124 WeakPolarHBondContact O-CG 3.31Å; R120-M124 PolarHBondContact O-N 2.86Å; M124-I126 VanDerWaalsContact C-N 3.28Å; M124-I126 PolarHBondContact O-N 3.25Å; M124-V127 PolarHBondContact O-N 3.08Å; M124-E128 HydrophobicContact CE-CG 4.01Å; M124-E128 WeakPolarHBondContact CE-OE1 3.26Å; M124-E128 WeakPolarHBondContact O-CG 3.43Å; M124-E128 PolarHBondContact O-N 3Å; M124-R353 PolarHBondContact SD-NH1 2.95Å; M124-R353 PolarHBondContact SD-NH2 3.35Å
125P94.7Very high93.9Very high80 Ų8053.9 Ų53.952%0.51926%0.257SS..Hα-helixtrans-60.9-35.7178.4-24.434.8000113.5E121 E129E121-P125 WeakPolarHBondContact O-CD 3.3Å; P125-E129 WeakPolarHBondContact O-CB 3.5Å; P125-E129 PolarHBondContact O-N 2.94Å; P125-E129 VanDerWaalsContact O-N 3.07Å
126I92.4Very high93.8Very high40 Ų4053.1 Ų53.121%0.20526%0.258CS..Hα-helixtrans-71.7-41178.8-55.1174.9000109.9I96 L123 M124 E129 I130I96-I126 HydrophobicContact CG2-CG2 4.03Å; L123-I126 HydrophobicContact CD2-CD1 4.35Å; L123-I126 WeakPolarHBondContact O-CB 3.32Å; L123-I126 PolarHBondContact O-N 3.09Å; M124-I126 VanDerWaalsContact C-N 3.28Å; M124-I126 PolarHBondContact O-N 3.25Å; I126-E129 PolarHBondContact O-N 3.42Å; I126-I130 HydrophobicContact CG2-CD1 4.03Å; I126-I130 VanDerWaalsContact O-CG1 3.25Å; I126-I130 WeakPolarHBondContact O-CG1 3.26Å; I126-I130 PolarHBondContact O-N 3.27Å
127V92.9Very high93.7Very high0 Ų055 Ų550%027%0.274CS..Hα-helixtrans-62.9-45.3177.1173.70000111I96 L97 E100 L123 M124 E129 I130 D131I96-V127 HydrophobicContact CG2-CG2 4Å; L97-V127 HydrophobicContact CD2-CB 4.36Å; L97-V127 HydrophobicContact CD2-CG1 3.84Å; L97-V127 HydrophobicContact CD2-CG2 4.18Å; E100-V127 HydrophobicContact CB-CG2 3.72Å; E100-V127 HydrophobicContact CG-CG2 3.68Å; L123-V127 HydrophobicContact CB-CG2 4.43Å; L123-V127 WeakPolarHBondContact O-CG2 3.39Å; L123-V127 PolarHBondContact O-N 3.21Å; M124-V127 PolarHBondContact O-N 3.08Å; V127-E129 VanDerWaalsContact C-N 3.34Å; V127-E129 PolarHBondContact O-N 2.86Å; V127-I130 PolarHBondContact O-N 3.34Å; V127-D131 PolarHBondContact O-N 3.49Å
128E93.2Very high93.7Very high83 Ų8352 Ų5239%0.38825%0.253SS..Hα-helixtrans-62-40.1176-71.9172.4-172.100112M124 D131 Q132M124-E128 HydrophobicContact CE-CG 4.01Å; M124-E128 WeakPolarHBondContact CE-OE1 3.26Å; M124-E128 WeakPolarHBondContact O-CG 3.43Å; M124-E128 PolarHBondContact O-N 3Å; E128-D131 PolarHBondContact O-N 2.8Å; E128-Q132 WeakPolarHBondContact O-CB 3.41Å; E128-Q132 PolarHBondContact O-N 3.3Å
129E93.2Very high93.6Very high132 Ų13248 Ų4862%0.61723%0.232SC*.Hα-helixtrans-63.9-41.1174.7-171.9-173.116700112.2P125 I126 V127 R133P125-E129 WeakPolarHBondContact O-CB 3.5Å; P125-E129 PolarHBondContact O-N 2.94Å; P125-E129 VanDerWaalsContact O-N 3.07Å; I126-E129 PolarHBondContact O-N 3.42Å; V127-E129 VanDerWaalsContact C-N 3.34Å; V127-E129 PolarHBondContact O-N 2.86Å; E129-R133 VanDerWaalsContact O-CB 3.27Å; E129-R133 WeakPolarHBondContact O-CB 3.47Å; E129-R133 PolarHBondContact O-N 3.39Å
130I92Very high93.4Very high2 Ų252.3 Ų52.31%0.0125%0.251CS..Hα-helixtrans-62.2-48.9175.1-69.1162.8000110.4D93 I96 L97 I126 V127 Q132 R133 I134D93-I130 HydrophobicContact CB-CD1 4.04Å; D93-I130 HydrophobicContact CB-CG1 4.25Å; D93-I130 HydrophobicContact CB-CG2 4.09Å; I96-I130 HydrophobicContact CB-CD1 4.16Å; I96-I130 HydrophobicContact CG2-CD1 3.92Å; L97-I130 HydrophobicContact CD1-CG2 3.95Å; L97-I130 HydrophobicContact CD2-CB 4.37Å; L97-I130 HydrophobicContact CD2-CD1 4.15Å; L97-I130 HydrophobicContact CD2-CG2 4.07Å; L97-I130 HydrophobicContact CG-CD1 4.39Å; L97-I130 HydrophobicContact CG-CG2 4.2Å; I126-I130 HydrophobicContact CG2-CD1 4.03Å; I126-I130 VanDerWaalsContact O-CG1 3.25Å; I126-I130 WeakPolarHBondContact O-CG1 3.26Å; I126-I130 PolarHBondContact O-N 3.27Å; V127-I130 PolarHBondContact O-N 3.34Å; I130-Q132 PolarHBondContact O-N 2.99Å; I130-R133 PolarHBondContact O-N 3.01Å; I130-I134 HydrophobicContact CG2-CD1 3.81Å; I130-I134 WeakPolarHBondContact O-CG1 3.37Å; I130-I134 PolarHBondContact O-N 3.41Å
131D93.6Very high93.5Very high16 Ų1652 Ų529%0.08625%0.251CS..Hα-helixtrans-61.4-46.5-179.2-71.5-19000111.2V127 E128 R133 I134 L135 R357V127-D131 PolarHBondContact O-N 3.49Å; E128-D131 PolarHBondContact O-N 2.8Å; D131-R133 VanDerWaalsContact C-N 3.3Å; D131-R133 PolarHBondContact O-N 2.91Å; D131-I134 PolarHBondContact O-N 3.03Å; D131-L135 WeakPolarHBondContact O-CG 3.48Å; D131-L135 PolarHBondContact O-N 3.45Å; D131-R357 VanDerWaalsContact CG-NH2 3.34Å; D131-R357 IonicContact OD1-CZ 3.83Å; D131-R357 VanDerWaalsContact OD1-CZ 3.31Å; D131-R357 IonicContact OD1-NE 3.49Å; D131-R357 PolarHBondContact OD1-NE 2.94Å; D131-R357 IonicContact OD1-NH2 3.58Å; D131-R357 PolarHBondContact OD1-NH2 3.44Å; D131-R357 VanDerWaalsContact OD1-NH2 3.11Å; D131-R357 IonicContact OD2-CZ 2.74Å; D131-R357 IonicContact OD2-NE 3.25Å; D131-R357 IonicContact OD2-NH2 2.85Å; D131-R357 PolarHBondContact OD2-NH2 3.47Å
132Q93.4Very high93.4Very high41 Ų4145.4 Ų45.419%0.19222%0.22CC..Hα-helixtrans-62.5-37.8176.9-171.461.26000112E128 I130 L135 N136E128-Q132 WeakPolarHBondContact O-CB 3.41Å; E128-Q132 PolarHBondContact O-N 3.3Å; I130-Q132 PolarHBondContact O-N 2.99Å; Q132-L135 PolarHBondContact O-N 3.13Å; Q132-N136 PolarHBondContact NE2-OD1 3.3Å; Q132-N136 VanDerWaalsContact O-CB 3.26Å; Q132-N136 WeakPolarHBondContact O-CB 3.26Å; Q132-N136 PolarHBondContact O-N 3.29Å; Q132-N136 PolarHBondContact O-ND2 3.42Å; Q132-N136 PolarHBondContact O-OD1 3.07Å
133R93.1Very high93.1Very high102 Ų10245.2 Ų45.239%0.38522%0.219SC..Hα-helixtrans-66.3-39.9176.7175.616642.9114.7-1.8112.4D93 E129 I130 D131 N136 A137D93-R133 IonicContact OD1-CZ 3.05Å; D93-R133 IonicContact OD1-NH1 2.72Å; D93-R133 IonicContact OD1-NH2 3.63Å; D93-R133 PolarHBondContact OD1-NH2 2.9Å; D93-R133 IonicContact OD2-CZ 2.88Å; D93-R133 VanDerWaalsContact OD2-CZ 3.22Å; D93-R133 IonicContact OD2-NH1 2.91Å; D93-R133 PolarHBondContact OD2-NH1 2.85Å; D93-R133 IonicContact OD2-NH2 3.25Å; D93-R133 PolarHBondContact OD2-NH2 3.15Å; E129-R133 VanDerWaalsContact O-CB 3.27Å; E129-R133 WeakPolarHBondContact O-CB 3.47Å; E129-R133 PolarHBondContact O-N 3.39Å; I130-R133 PolarHBondContact O-N 3.01Å; D131-R133 VanDerWaalsContact C-N 3.3Å; D131-R133 PolarHBondContact O-N 2.91Å; R133-N136 PolarHBondContact O-N 2.72Å; R133-A137 WeakPolarHBondContact O-CB 3.38Å; R133-A137 PolarHBondContact O-N 2.74Å
134I92.2Very high93Very high15 Ų1549.3 Ų49.38%0.07724%0.238CC..Hα-helixtrans-60.8-50.1174.5-69.2157.8000109.9V87 I130 D131 N136 A137 I138 A360V87-I134 HydrophobicContact CB-CD1 4.17Å; V87-I134 HydrophobicContact CG1-CD1 3.66Å; V87-I134 HydrophobicContact CG1-CG1 4.35Å; V87-I134 HydrophobicContact CG1-CG2 4.06Å; I130-I134 HydrophobicContact CG2-CD1 3.81Å; I130-I134 WeakPolarHBondContact O-CG1 3.37Å; I130-I134 PolarHBondContact O-N 3.41Å; D131-I134 PolarHBondContact O-N 3.03Å; I134-N136 PolarHBondContact O-N 2.96Å; I134-A137 PolarHBondContact O-N 2.66Å; I134-I138 HydrophobicContact CG2-CD1 4.38Å; I134-I138 PolarHBondContact O-N 2.83Å; I134-A360 HydrophobicContact CG2-CB 4.25Å
135L93.9Very high92.8Very high7 Ų748.2 Ų48.24%0.03723%0.233CC..Hα-helixtrans-63.5-42.8179.5-64.8176.3000112D131 Q132 A137 I138 D139 H288 I290 E291 A360D131-L135 WeakPolarHBondContact O-CG 3.48Å; D131-L135 PolarHBondContact O-N 3.45Å; Q132-L135 PolarHBondContact O-N 3.13Å; L135-A137 VanDerWaalsContact C-N 3.3Å; L135-A137 PolarHBondContact O-N 3Å; L135-I138 WeakPolarHBondContact O-CB 3.43Å; L135-I138 PolarHBondContact O-N 3.06Å; L135-I138 VanDerWaalsContact O-N 3.14Å; L135-D139 PolarHBondContact O-N 3.25Å; L135-H288 HydrophobicContact CD1-CB 3.9Å; L135-I290 HydrophobicContact CD2-CB 4.29Å; L135-I290 HydrophobicContact CD2-CD1 4.24Å; L135-I290 HydrophobicContact CD2-CG2 4.47Å; L135-E291 HydrophobicContact CD1-CG 4.38Å; L135-A360 HydrophobicContact CD2-CB 4.47Å
136N93Very high92.5Very high79 Ų7946.4 Ų46.442%0.42222%0.216SC..Hα-helixtrans-62.4-35.2176.9-73.7-12.2000113Q132 R133 I134 D139 F140Q132-N136 PolarHBondContact NE2-OD1 3.3Å; Q132-N136 VanDerWaalsContact O-CB 3.26Å; Q132-N136 WeakPolarHBondContact O-CB 3.26Å; Q132-N136 PolarHBondContact O-N 3.29Å; Q132-N136 PolarHBondContact O-ND2 3.42Å; Q132-N136 PolarHBondContact O-OD1 3.07Å; R133-N136 PolarHBondContact O-N 2.72Å; I134-N136 PolarHBondContact O-N 2.96Å; N136-D139 PolarHBondContact O-N 3.03Å; N136-F140 PolarHBondContact O-N 3.31Å
137A92.6Very high92.4Very high40 Ų4051.8 Ų51.833%0.33124%0.24SC..Hα-helixtrans-66-40.9175.400000111.1R133 I134 L135 F140 K141R133-A137 WeakPolarHBondContact O-CB 3.38Å; R133-A137 PolarHBondContact O-N 2.74Å; I134-A137 PolarHBondContact O-N 2.66Å; L135-A137 VanDerWaalsContact C-N 3.3Å; L135-A137 PolarHBondContact O-N 3Å; A137-F140 PolarHBondContact O-N 3.33Å; A137-K141 PolarHBondContact O-N 3.49Å
138I94.1Very high92.2Very high0 Ų052.8 Ų52.80%025%0.245CC..Hα-helixtrans-63.5-47.7173.5-65.1170.4000110.4I134 L135 F140 K141 V142 I290 L327 A360 E364 L367I134-I138 HydrophobicContact CG2-CD1 4.38Å; I134-I138 PolarHBondContact O-N 2.83Å; L135-I138 WeakPolarHBondContact O-CB 3.43Å; L135-I138 PolarHBondContact O-N 3.06Å; L135-I138 VanDerWaalsContact O-N 3.14Å; I138-F140 PolarHBondContact O-N 3.19Å; I138-K141 CarbonylContact O-C 3.39Å; I138-K141 WeakPolarHBondContact O-CA 3.38Å; I138-K141 WeakPolarHBondContact O-CB 3.38Å; I138-K141 PolarHBondContact O-N 3.44Å; I138-V142 HydrophobicContact CG2-CG2 4.22Å; I138-V142 WeakPolarHBondContact O-CG2 3.37Å; I138-V142 PolarHBondContact O-N 3.43Å; I138-I290 HydrophobicContact CB-CD1 4.44Å; I138-I290 HydrophobicContact CD1-CD1 3.68Å; I138-I290 HydrophobicContact CG2-CD1 3.85Å; I138-L327 HydrophobicContact CG2-CD2 4.14Å; I138-A360 HydrophobicContact CD1-CB 3.76Å; I138-A360 WeakPolarHBondContact CD1-O 3.35Å; I138-E364 HydrophobicContact CD1-CB 4.09Å; I138-E364 HydrophobicContact CG1-CB 3.92Å; I138-E364 HydrophobicContact CG1-CG 4.11Å; I138-L367 HydrophobicContact CG2-CD1 3.67Å
139D93.4Very high92Very high25 Ų2552.7 Ų52.713%0.13425%0.252CS..Hα-helixtrans-58.2-36.1177.1-75.9-13.9000111.8L135 N136 R143 H288 R429L135-D139 PolarHBondContact O-N 3.25Å; N136-D139 PolarHBondContact O-N 3.03Å; D139-R143 VanDerWaalsContact O-CG 3.31Å; D139-R143 WeakPolarHBondContact O-CG 3.44Å; D139-R143 PolarHBondContact O-N 2.99Å; D139-R143 PolarHBondContact O-NE 2.9Å; D139-H288 IonicContact OD1-CE1 2.79Å; D139-H288 IonicContact OD1-NE2 3.69Å; D139-H288 PolarHBondContact OD1-NE2 2.84Å; D139-H288 IonicContact OD2-NE2 3.63Å; D139-R429 IonicContact OD2-NH2 3.04Å; D139-R429 PolarHBondContact OD2-NH2 2.99Å
140F93.1Very high91.5Very high107 Ų10751.2 Ų51.247%0.46925%0.245SC..Hα-helixtrans-64.4-44.8172.2-176.9-95.7000112.6N136 A137 I138 V142 R143 Q144N136-F140 PolarHBondContact O-N 3.31Å; A137-F140 PolarHBondContact O-N 3.33Å; I138-F140 PolarHBondContact O-N 3.19Å; F140-V142 VanDerWaalsContact C-N 3.35Å; F140-R143 WeakPolarHBondContact O-CB 3.43Å; F140-R143 PolarHBondContact O-N 3.11Å; F140-Q144 HydrophobicContact CD1-CG 4.46Å; F140-Q144 VanDerWaalsContact CE1-CD 3.49Å; F140-Q144 HydrophobicContact CE1-CG 4.11Å; F140-Q144 VanDerWaalsContact CE1-NE2 3.34Å; F140-Q144 HydrophobicContact CZ-CG 4.49Å; F140-Q144 PolarHBondContact O-N 3.3Å; F140-Q144 VanDerWaalsContact O-N 3.1Å
141K94.2Very high91.2Very high36 Ų3653.7 Ų53.716%0.15727%0.271CS..Hα-helixtrans-63.9-38.3175.1-71.9175.3173.5-175.40112.3A137 I138 R143 Q144 F145 E364 L367 D368 L371A137-K141 PolarHBondContact O-N 3.49Å; I138-K141 CarbonylContact O-C 3.39Å; I138-K141 WeakPolarHBondContact O-CA 3.38Å; I138-K141 WeakPolarHBondContact O-CB 3.38Å; I138-K141 PolarHBondContact O-N 3.44Å; K141-R143 VanDerWaalsContact C-N 3.32Å; K141-R143 PolarHBondContact O-N 3.23Å; K141-Q144 WeakPolarHBondContact O-CB 3.48Å; K141-Q144 PolarHBondContact O-N 3.13Å; K141-F145 WeakPolarHBondContact O-CB 3.23Å; K141-F145 PolarHBondContact O-N 2.83Å; K141-E364 HydrophobicContact CD-CG 3.99Å; K141-E364 VanDerWaalsContact NZ-CG 3.31Å; K141-E364 IonicContact NZ-OE1 3.7Å; K141-E364 PolarHBondContact NZ-OE1 3.06Å; K141-L367 HydrophobicContact CB-CB 4.42Å; K141-L367 HydrophobicContact CB-CD1 4.14Å; K141-D368 VanDerWaalsContact CD-OD1 3.29Å; K141-D368 WeakPolarHBondContact CD-OD1 3.48Å; K141-D368 WeakPolarHBondContact CE-OD1 3.43Å; K141-D368 IonicContact NZ-OD1 2.72Å; K141-D368 PolarHBondContact NZ-OD1 3.45Å; K141-D368 IonicContact NZ-OD2 3.73Å; K141-D368 PolarHBondContact NZ-OD2 3.2Å; K141-L371 HydrophobicContact CB-CD1 4.04Å; K141-L371 HydrophobicContact CG-CD1 4.13Å
142V91.8Very high91Very high0 Ų053.3 Ų53.30%027%0.269CS..Hα-helixtrans-58.5-46.3173174.10000109.8I138 F140 Q144 F145 Y146 L327 L367I138-V142 HydrophobicContact CG2-CG2 4.22Å; I138-V142 WeakPolarHBondContact O-CG2 3.37Å; I138-V142 PolarHBondContact O-N 3.43Å; F140-V142 VanDerWaalsContact C-N 3.35Å; V142-Q144 VanDerWaalsContact C-N 3.34Å; V142-Q144 PolarHBondContact O-N 2.82Å; V142-F145 WeakPolarHBondContact O-CB 3.49Å; V142-F145 PolarHBondContact O-N 3.09Å; V142-F145 VanDerWaalsContact O-N 3.13Å; V142-Y146 HydrophobicContact CG1-CD2 3.7Å; V142-Y146 HydrophobicContact CG1-CE2 3.6Å; V142-Y146 VanDerWaalsContact O-CD2 3.26Å; V142-Y146 WeakPolarHBondContact O-CD2 3.48Å; V142-Y146 PolarHBondContact O-N 3.42Å; V142-L327 HydrophobicContact CG2-CD2 4.17Å; V142-L327 HydrophobicContact CG2-CG 4.22Å; V142-L367 HydrophobicContact CG2-CD1 3.61Å; V142-L367 HydrophobicContact CG2-CD2 4.15Å
143R90.7Very high90.8Very high117 Ų11754.1 Ų54.144%0.44228%0.278SS..Hα-helixtrans-57.3-45.6175.4-68.3-177.4-84.9169.8-6.8112D139 F140 K141 F145 Y146 H147 Y439D139-R143 VanDerWaalsContact O-CG 3.31Å; D139-R143 WeakPolarHBondContact O-CG 3.44Å; D139-R143 PolarHBondContact O-N 2.99Å; D139-R143 PolarHBondContact O-NE 2.9Å; F140-R143 WeakPolarHBondContact O-CB 3.43Å; F140-R143 PolarHBondContact O-N 3.11Å; K141-R143 VanDerWaalsContact C-N 3.32Å; K141-R143 PolarHBondContact O-N 3.23Å; R143-F145 VanDerWaalsContact C-N 3.34Å; R143-F145 PolarHBondContact O-N 3.19Å; R143-Y146 PolarHBondContact O-N 2.82Å; R143-H147 PolarHBondContact O-CE1 2.91Å; R143-H147 PolarHBondContact O-ND1 2.68Å; R143-Y439 HydrophobicContact CG-CE2 4Å; R143-Y439 WeakPolarHBondContact CG-OH 3.32Å
144Q90.6Very high90.7Very high85 Ų8549.4 Ų49.440%0.39726%0.261SS..Hα-helixtrans-61.7-42.2175.8-66.7179-45.700112F140 K141 V142 Y146 H147 L371F140-Q144 HydrophobicContact CD1-CG 4.46Å; F140-Q144 VanDerWaalsContact CE1-CD 3.49Å; F140-Q144 HydrophobicContact CE1-CG 4.11Å; F140-Q144 VanDerWaalsContact CE1-NE2 3.34Å; F140-Q144 HydrophobicContact CZ-CG 4.49Å; F140-Q144 PolarHBondContact O-N 3.3Å; F140-Q144 VanDerWaalsContact O-N 3.1Å; K141-Q144 WeakPolarHBondContact O-CB 3.48Å; K141-Q144 PolarHBondContact O-N 3.13Å; V142-Q144 VanDerWaalsContact C-N 3.34Å; V142-Q144 PolarHBondContact O-N 2.82Å; Q144-Y146 VanDerWaalsContact C-N 3.28Å; Q144-Y146 PolarHBondContact O-N 2.86Å; Q144-H147 WeakPolarHBondContact O-CB 3.06Å; Q144-H147 PolarHBondContact O-N 3.46Å; Q144-L371 HydrophobicContact CB-CD2 3.82Å
145F90.6Very high90.7Very high6 Ų648.7 Ų48.73%0.02626%0.257CS..Hα-helixtrans-57.7-41177.8165.1-110000111.8K141 V142 R143 H147 I148 L155 L367 Y370 L371 L443K141-F145 WeakPolarHBondContact O-CB 3.23Å; K141-F145 PolarHBondContact O-N 2.83Å; V142-F145 WeakPolarHBondContact O-CB 3.49Å; V142-F145 PolarHBondContact O-N 3.09Å; V142-F145 VanDerWaalsContact O-N 3.13Å; R143-F145 VanDerWaalsContact C-N 3.34Å; R143-F145 PolarHBondContact O-N 3.19Å; F145-H147 PolarHBondContact O-N 3.36Å; F145-I148 HydrophobicContact CD2-CD1 4.35Å; F145-I148 WeakPolarHBondContact O-CB 3.39Å; F145-I148 PolarHBondContact O-N 3.1Å; F145-I148 VanDerWaalsContact O-N 3.08Å; F145-L155 HydrophobicContact CE2-CD1 3.74Å; F145-L155 HydrophobicContact CE2-CD2 4.02Å; F145-L367 HydrophobicContact CB-CD2 3.81Å; F145-L367 HydrophobicContact CD1-CD2 4.28Å; F145-L367 HydrophobicContact CG-CD2 4.01Å; F145-Y370 HydrophobicContact CD2-CD2 4.15Å; F145-Y370 AromaticContact CE2-CD2 3.6Å; F145-Y370 HydrophobicContact CE2-CD2 3.6Å; F145-Y370 HydrophobicContact CE2-CE2 4.38Å; F145-Y370 HydrophobicContact CE2-CG 4.38Å; F145-Y370 HydrophobicContact CZ-CD2 4.14Å; F145-L371 HydrophobicContact CB-CD2 4.13Å; F145-L443 HydrophobicContact CZ-CD1 4.5Å
146Y89.5Confident90.5Very high42 Ų4252 Ų5217%0.16527%0.269CS..THydrogen-bonded Turntrans-69.4-11.5176.4-85.4-79.8000115V142 R143 Q144 I148 G326 Y439V142-Y146 HydrophobicContact CG1-CD2 3.7Å; V142-Y146 HydrophobicContact CG1-CE2 3.6Å; V142-Y146 VanDerWaalsContact O-CD2 3.26Å; V142-Y146 WeakPolarHBondContact O-CD2 3.48Å; V142-Y146 PolarHBondContact O-N 3.42Å; R143-Y146 PolarHBondContact O-N 2.82Å; Q144-Y146 VanDerWaalsContact C-N 3.28Å; Q144-Y146 PolarHBondContact O-N 2.86Å; Y146-I148 VanDerWaalsContact C-N 3.34Å; Y146-G326 WeakPolarHBondContact CE2-O 3.41Å; Y146-G326 WeakPolarHBondContact OH-CA 3.39Å; Y146-G326 PolarHBondContact OH-O 2.88Å; Y146-Y439 HydrophobicContact CD1-CD1 4.32Å; Y146-Y439 HydrophobicContact CD1-CD2 4.36Å; Y146-Y439 AromaticContact CD1-CG 3.94Å; Y146-Y439 HydrophobicContact CD1-CG 3.94Å; Y146-Y439 AromaticContact CD2-CD2 3.29Å; Y146-Y439 HydrophobicContact CD2-CD2 3.29Å; Y146-Y439 AromaticContact CD2-CE2 3.88Å; Y146-Y439 HydrophobicContact CD2-CE2 3.88Å; Y146-Y439 AromaticContact CD2-CG 3.73Å; Y146-Y439 HydrophobicContact CD2-CG 3.73Å; Y146-Y439 VanDerWaalsContact CE1-CB 3.46Å; Y146-Y439 HydrophobicContact CE1-CD2 4.47Å; Y146-Y439 HydrophobicContact CE1-CG 4Å; Y146-Y439 AromaticContact CE2-CD2 3.46Å; Y146-Y439 HydrophobicContact CE2-CD2 3.46Å; Y146-Y439 VanDerWaalsContact CE2-CD2 3.46Å; Y146-Y439 HydrophobicContact CE2-CE2 4.42Å; Y146-Y439 AromaticContact CE2-CG 3.82Å; Y146-Y439 HydrophobicContact CE2-CG 3.82Å; Y146-Y439 HydrophobicContact CG-CD1 4.2Å; Y146-Y439 AromaticContact CG-CD2 3.79Å; Y146-Y439 HydrophobicContact CG-CD2 3.79Å; Y146-Y439 HydrophobicContact CG-CE2 4.32Å; Y146-Y439 AromaticContact CG-CG 3.79Å; Y146-Y439 HydrophobicContact CG-CG 3.79Å; Y146-Y439 AromaticContact CZ-CG 3.93Å
147H90.4Very high90.4Very high152 Ų15254.7 Ų54.770%0.70427%0.273SS*.THydrogen-bonded Turntrans-83.4-11.8170.9-68.379.3000112.7R143 Q144 F145 P149R143-H147 PolarHBondContact O-CE1 2.91Å; R143-H147 PolarHBondContact O-ND1 2.68Å; Q144-H147 WeakPolarHBondContact O-CB 3.06Å; Q144-H147 PolarHBondContact O-N 3.46Å; F145-H147 PolarHBondContact O-N 3.36Å; H147-P149 WeakPolarHBondContact O-CD 3.44Å
148I88.8Confident90.4Very high21 Ų2153.3 Ų53.311%0.10826%0.262CS..SBendtrans-77.8124.5176.7-57.7167.3000108.6F145 Y146 D152 L155 L371 A374F145-I148 HydrophobicContact CD2-CD1 4.35Å; F145-I148 WeakPolarHBondContact O-CB 3.39Å; F145-I148 PolarHBondContact O-N 3.1Å; F145-I148 VanDerWaalsContact O-N 3.08Å; Y146-I148 VanDerWaalsContact C-N 3.34Å; I148-D152 HydrophobicContact CG2-CB 3.75Å; I148-L155 HydrophobicContact CB-CD2 4.27Å; I148-L155 HydrophobicContact CG2-CB 4.11Å; I148-L155 HydrophobicContact CG2-CD2 3.77Å; I148-L371 HydrophobicContact CD1-CD2 3.86Å; I148-A374 HydrophobicContact CD1-CB 3.51Å; I148-A374 HydrophobicContact CG1-CB 3.94Å; I148-A374 HydrophobicContact CG2-CB 3.75Å
149P88.8Confident90.3Very high81 Ų8154.4 Ų54.453%0.52627%0.266SS..  trans-58.1140.3175.9-24.134.1000112.1H147 G151 D152H147-P149 WeakPolarHBondContact O-CD 3.44Å; P149-G151 PolarHBondContact O-N 3Å; P149-G151 VanDerWaalsContact O-N 3.13Å; P149-D152 VanDerWaalsContact O-CB 3.3Å; P149-D152 WeakPolarHBondContact O-CB 3.01Å; P149-D152 PolarHBondContact O-N 3.1Å
150E82Confident90.3Very high101 Ų10153.3 Ų53.347%0.47226%0.261SS..THydrogen-bonded Turntrans-57.6-33.6-179.6-49.1-159.7157.900113D152 R442 L443E150-D152 PolarHBondContact O-N 3.22Å; E150-R442 VanDerWaalsContact OE1-O 3.11Å; E150-L443 HydrophobicContact CB-CD2 3.65Å; E150-L443 HydrophobicContact CG-CD1 3.94Å; E150-L443 HydrophobicContact CG-CD2 3.33Å; E150-L443 HydrophobicContact CG-CG 3.79Å; E150-L443 WeakPolarHBondContact OE1-CD2 3.4Å; E150-L443 VanDerWaalsContact OE1-CG 3.3Å; E150-L443 WeakPolarHBondContact OE1-CG 3.36Å
151G85Confident90.4Very high55 Ų5550.9 Ų50.957%0.56725%0.251SS*.THydrogen-bonded Turntrans-77.9-0.2178.400000114.6P149 P153P149-G151 PolarHBondContact O-N 3Å; P149-G151 VanDerWaalsContact O-N 3.13Å; G151-P153 WeakPolarHBondContact O-CD 2.95Å
152D89Confident90.4Very high8 Ų849.4 Ų49.44%0.04324%0.244CC..  trans-58.5120-179.4178.5-99.6000110.8I148 P149 E150 G154 L155 R156 N377I148-D152 HydrophobicContact CG2-CB 3.75Å; P149-D152 VanDerWaalsContact O-CB 3.3Å; P149-D152 WeakPolarHBondContact O-CB 3.01Å; P149-D152 PolarHBondContact O-N 3.1Å; E150-D152 PolarHBondContact O-N 3.22Å; D152-G154 VanDerWaalsContact C-N 3.25Å; D152-G154 PolarHBondContact O-N 3.44Å; D152-G154 VanDerWaalsContact OD1-CA 3.26Å; D152-G154 WeakPolarHBondContact OD1-CA 3.18Å; D152-G154 PolarHBondContact OD1-N 3.29Å; D152-L155 HydrophobicContact CB-CB 4.08Å; D152-L155 PolarHBondContact O-N 2.89Å; D152-L155 PolarHBondContact OD1-N 2.88Å; D152-R156 WeakPolarHBondContact O-CG 3.09Å; D152-R156 PolarHBondContact O-N 3.24Å; D152-N377 PolarHBondContact OD2-ND2 2.7Å
153P90.8Very high90.6Very high58 Ų5849.4 Ų49.438%0.37724%0.244SC..Hα-helixtrans-58.1-34.2-178.6-27.433000114.4G151 R157 N377G151-P153 WeakPolarHBondContact O-CD 2.95Å; P153-R157 WeakPolarHBondContact O-CB 3.5Å; P153-R157 PolarHBondContact O-N 3.12Å; P153-R157 VanDerWaalsContact O-N 3.07Å; P153-N377 VanDerWaalsContact CD-ND2 3.35Å; P153-N377 WeakPolarHBondContact CD-ND2 3.33Å
154G91Very high90.9Very high2 Ų243.9 Ų43.92%0.02122%0.224CC..Hα-helixtrans-66.7-50.4178.100000111.2D152 R157 A158 N377D152-G154 VanDerWaalsContact C-N 3.25Å; D152-G154 PolarHBondContact O-N 3.44Å; D152-G154 VanDerWaalsContact OD1-CA 3.26Å; D152-G154 WeakPolarHBondContact OD1-CA 3.18Å; D152-G154 PolarHBondContact OD1-N 3.29Å; G154-R157 PolarHBondContact O-N 2.98Å; G154-A158 WeakPolarHBondContact O-CB 3.4Å; G154-A158 PolarHBondContact O-N 2.83Å; G154-N377 PolarHBondContact N-ND2 3.16Å
155L90.9Very high91.2Very high1 Ų141.9 Ų41.91%0.00521%0.214CC..Hα-helixtrans-60.8-46.2176.1176.757.6000112.1F145 I148 D152 R157 A158 K159 Y370F145-L155 HydrophobicContact CE2-CD1 3.74Å; F145-L155 HydrophobicContact CE2-CD2 4.02Å; I148-L155 HydrophobicContact CB-CD2 4.27Å; I148-L155 HydrophobicContact CG2-CB 4.11Å; I148-L155 HydrophobicContact CG2-CD2 3.77Å; D152-L155 HydrophobicContact CB-CB 4.08Å; D152-L155 PolarHBondContact O-N 2.89Å; D152-L155 PolarHBondContact OD1-N 2.88Å; L155-R157 VanDerWaalsContact C-N 3.33Å; L155-R157 PolarHBondContact O-N 3.44Å; L155-A158 PolarHBondContact O-N 3.01Å; L155-K159 HydrophobicContact CD1-CD 4.49Å; L155-K159 HydrophobicContact CD1-CG 4.14Å; L155-K159 WeakPolarHBondContact O-CG 3.1Å; L155-K159 PolarHBondContact O-N 3.13Å; L155-Y370 HydrophobicContact CD1-CD1 4.32Å; L155-Y370 HydrophobicContact CD1-CD2 3.96Å; L155-Y370 HydrophobicContact CD1-CG 3.82Å
156R90.5Very high91.5Very high77 Ų7741.9 Ų41.929%0.29121%0.214SC..Hα-helixtrans-58.4-45.8178.2-71.8-177.272.8-153.712.6111.6D152 K159 V160 T453D152-R156 WeakPolarHBondContact O-CG 3.09Å; D152-R156 PolarHBondContact O-N 3.24Å; R156-K159 PolarHBondContact O-N 3.38Å; R156-V160 WeakPolarHBondContact O-CG2 3.48Å; R156-V160 PolarHBondContact O-N 3.02Å; R156-V160 VanDerWaalsContact O-N 3.15Å; R156-T453 PolarHBondContact NH1-O 3.03Å; R156-T453 PolarHBondContact NH2-O 2.75Å
157R91.2Very high91.9Very high135 Ų13539.9 Ų39.951%0.50921%0.206SC..Hα-helixtrans-59.9-47.1175.3-173-174.5-61122.10.1111P153 G154 L155 K159 V160 E161P153-R157 WeakPolarHBondContact O-CB 3.5Å; P153-R157 PolarHBondContact O-N 3.12Å; P153-R157 VanDerWaalsContact O-N 3.07Å; G154-R157 PolarHBondContact O-N 2.98Å; L155-R157 VanDerWaalsContact C-N 3.33Å; L155-R157 PolarHBondContact O-N 3.44Å; R157-K159 VanDerWaalsContact C-N 3.34Å; R157-K159 PolarHBondContact O-N 3.06Å; R157-V160 PolarHBondContact O-N 2.8Å; R157-E161 HydrophobicContact CG-CG 4.46Å; R157-E161 VanDerWaalsContact O-CG 3.32Å; R157-E161 WeakPolarHBondContact O-CG 3.37Å; R157-E161 PolarHBondContact O-N 3.34Å
158A92.8Very high92.3Very high10 Ų1034.9 Ų34.98%0.08318%0.181CC..Hα-helixtrans-60.1-41.9179.300000112.4G154 L155 V160 E161 H162 Y370 A373G154-A158 WeakPolarHBondContact O-CB 3.4Å; G154-A158 PolarHBondContact O-N 2.83Å; L155-A158 PolarHBondContact O-N 3.01Å; A158-V160 PolarHBondContact O-N 3.33Å; A158-E161 PolarHBondContact O-N 2.71Å; A158-H162 WeakPolarHBondContact O-CB 3.49Å; A158-H162 PolarHBondContact O-CD2 2.83Å; A158-H162 PolarHBondContact O-N 2.84Å; A158-Y370 HydrophobicContact CB-CD1 3.76Å; A158-Y370 HydrophobicContact CB-CE1 4.04Å; A158-A373 HydrophobicContact CB-CB 3.71Å
159K92.3Very high92.8Very high23 Ų2334.5 Ų34.510%0.118%0.179CC..Hα-helixtrans-62.3-42176.1-69.8-173.4177.2-169.10112.8L155 R156 R157 H162 Y163 Y370 L443 A447L155-K159 HydrophobicContact CD1-CD 4.49Å; L155-K159 HydrophobicContact CD1-CG 4.14Å; L155-K159 WeakPolarHBondContact O-CG 3.1Å; L155-K159 PolarHBondContact O-N 3.13Å; R156-K159 PolarHBondContact O-N 3.38Å; R157-K159 VanDerWaalsContact C-N 3.34Å; R157-K159 PolarHBondContact O-N 3.06Å; K159-H162 PolarHBondContact O-N 2.7Å; K159-Y163 PolarHBondContact O-N 3.49Å; K159-Y370 HydrophobicContact CG-CE1 4.23Å; K159-Y370 HydrophobicContact CG-CE2 4.15Å; K159-L443 PolarHBondContact NZ-O 2.96Å; K159-A447 HydrophobicContact CB-CB 3.73Å
160V92.6Very high93.2Very high3 Ų330.8 Ų30.82%0.01816%0.155CC..Hα-helixtrans-63.7-46175.8172.30000110.6R156 R157 A158 H162 Y163 F164 A447 I454 L456R156-V160 WeakPolarHBondContact O-CG2 3.48Å; R156-V160 PolarHBondContact O-N 3.02Å; R156-V160 VanDerWaalsContact O-N 3.15Å; R157-V160 PolarHBondContact O-N 2.8Å; A158-V160 PolarHBondContact O-N 3.33Å; V160-H162 VanDerWaalsContact C-N 3.26Å; V160-H162 PolarHBondContact O-N 2.72Å; V160-Y163 WeakPolarHBondContact O-CB 3.38Å; V160-Y163 PolarHBondContact O-N 3.2Å; V160-Y163 VanDerWaalsContact O-N 3.14Å; V160-F164 HydrophobicContact CG1-CD2 4.21Å; V160-F164 HydrophobicContact CG1-CE2 3.6Å; V160-F164 HydrophobicContact CG1-CZ 4.39Å; V160-F164 VanDerWaalsContact O-CD2 3.24Å; V160-F164 WeakPolarHBondContact O-CD2 3.26Å; V160-F164 PolarHBondContact O-N 2.71Å; V160-A447 HydrophobicContact CB-CB 4.37Å; V160-A447 HydrophobicContact CG2-CB 3.68Å; V160-I454 HydrophobicContact CG2-CD1 3.99Å; V160-L456 HydrophobicContact CG1-CD1 4.44Å
161E94.2Very high94Very high55 Ų5526 Ų2626%0.25713%0.132SC..Hα-helixtrans-59.4-39175.7-70.8-64.8133.700111.9R157 A158 Y163 F164 K165 R184R157-E161 HydrophobicContact CG-CG 4.46Å; R157-E161 VanDerWaalsContact O-CG 3.32Å; R157-E161 WeakPolarHBondContact O-CG 3.37Å; R157-E161 PolarHBondContact O-N 3.34Å; A158-E161 PolarHBondContact O-N 2.71Å; E161-Y163 VanDerWaalsContact C-N 3.35Å; E161-F164 PolarHBondContact O-N 3.07Å; E161-K165 WeakPolarHBondContact O-CG 3.04Å; E161-K165 PolarHBondContact O-N 3.45Å; E161-R184 IonicContact OE1-CZ 2.83Å; E161-R184 VanDerWaalsContact OE1-CZ 3.25Å; E161-R184 IonicContact OE1-NH1 2.79Å; E161-R184 PolarHBondContact OE1-NH1 2.96Å; E161-R184 IonicContact OE1-NH2 3.05Å; E161-R184 PolarHBondContact OE1-NH2 3.35Å; E161-R184 IonicContact OE2-CZ 3.39Å; E161-R184 IonicContact OE2-NH1 3.64Å; E161-R184 IonicContact OE2-NH2 3.47Å; E161-R184 PolarHBondContact OE2-NH2 2.93Å
162H94.7Very high94.7Very high5 Ų523.9 Ų23.92%0.02311%0.109CC..Hα-helixtrans-70.2-30.4178.1-79.1-139.7000112.9A158 K159 V160 K165 H166 I331 T366 E369 Y370A158-H162 WeakPolarHBondContact O-CB 3.49Å; A158-H162 PolarHBondContact O-CD2 2.83Å; A158-H162 PolarHBondContact O-N 2.84Å; K159-H162 PolarHBondContact O-N 2.7Å; V160-H162 VanDerWaalsContact C-N 3.26Å; V160-H162 PolarHBondContact O-N 2.72Å; H162-K165 PolarHBondContact NE2-NZ 3.04Å; H162-K165 PolarHBondContact O-N 3.14Å; H162-H166 VanDerWaalsContact O-CB 3.31Å; H162-H166 WeakPolarHBondContact O-CB 3.29Å; H162-H166 PolarHBondContact O-N 2.87Å; H162-I331 HydrophobicContact CB-CD1 4Å; H162-T366 WeakPolarHBondContact ND1-CG2 3.47Å; H162-E369 IonicContact CE1-OE2 3.92Å; H162-E369 PolarHBondContact CE1-OE2 3.46Å; H162-E369 VanDerWaalsContact CE1-OE2 3.25Å; H162-E369 IonicContact NE2-OE2 3.65Å; H162-E369 PolarHBondContact NE2-OE2 3.37Å; H162-Y370 HydrophobicContact CB-CE1 4.26Å; H162-Y370 AromaticContact CE1-CE1 3.64Å; H162-Y370 AromaticContact CG-CE1 3.66Å; H162-Y370 AromaticContact ND1-CE1 3.39Å; H162-Y370 WeakPolarHBondContact ND1-CE1 3.42Å; H162-Y370 AromaticContact ND1-CZ 3.86Å
163Y95.9Very high95.1Very high0 Ų023.5 Ų23.50%011%0.107CC..Hα-helixtrans-55.2-55.3170-169.8-90.1000110.9K159 V160 E161 K165 H166 V167 L187 D208 L211 F446 A447 P449K159-Y163 PolarHBondContact O-N 3.49Å; V160-Y163 WeakPolarHBondContact O-CB 3.38Å; V160-Y163 PolarHBondContact O-N 3.2Å; V160-Y163 VanDerWaalsContact O-N 3.14Å; E161-Y163 VanDerWaalsContact C-N 3.35Å; Y163-K165 PolarHBondContact O-N 3.1Å; Y163-H166 PolarHBondContact O-N 3.46Å; Y163-V167 HydrophobicContact CD1-CG2 4.46Å; Y163-V167 HydrophobicContact CE1-CG2 4.23Å; Y163-V167 PolarHBondContact O-N 2.92Å; Y163-V167 VanDerWaalsContact O-N 3.16Å; Y163-L187 HydrophobicContact CE1-CD1 4.4Å; Y163-D208 WeakPolarHBondContact CE1-OD1 3.45Å; Y163-D208 VanDerWaalsContact CZ-OD1 3.3Å; Y163-D208 PolarHBondContact OH-O 3.42Å; Y163-D208 PolarHBondContact OH-OD1 3.17Å; Y163-L211 HydrophobicContact CD2-CD1 4.44Å; Y163-L211 HydrophobicContact CE1-CD1 4.41Å; Y163-L211 HydrophobicContact CE2-CB 3.86Å; Y163-L211 HydrophobicContact CE2-CD1 3.92Å; Y163-F446 HydrophobicContact CD2-CB 3.72Å; Y163-F446 HydrophobicContact CE2-CB 3.98Å; Y163-A447 WeakPolarHBondContact CD2-O 3.36Å; Y163-A447 WeakPolarHBondContact CE2-O 3.39Å; Y163-P449 HydrophobicContact CD1-CG 3.67Å; Y163-P449 HydrophobicContact CE1-CG 3.99Å; Y163-P449 HydrophobicContact CG-CG 4.14Å
164F97.2Very high95.3Very high1 Ų124 Ų240%0.00411%0.105CC..Hα-helixtrans-62.6-43180-62.2-57.7000112V160 E161 H166 V167 Y168 L180 R184 L187 E188 P449V160-F164 HydrophobicContact CG1-CD2 4.21Å; V160-F164 HydrophobicContact CG1-CE2 3.6Å; V160-F164 HydrophobicContact CG1-CZ 4.39Å; V160-F164 VanDerWaalsContact O-CD2 3.24Å; V160-F164 WeakPolarHBondContact O-CD2 3.26Å; V160-F164 PolarHBondContact O-N 2.71Å; E161-F164 PolarHBondContact O-N 3.07Å; F164-H166 VanDerWaalsContact C-N 3.3Å; F164-H166 PolarHBondContact O-N 2.75Å; F164-V167 PolarHBondContact O-N 2.98Å; F164-Y168 WeakPolarHBondContact O-CB 3.43Å; F164-Y168 PolarHBondContact O-N 3.37Å; F164-L180 HydrophobicContact CB-CD1 4.09Å; F164-R184 HydrophobicContact CD1-CB 4.22Å; F164-R184 HydrophobicContact CD1-CG 4.19Å; F164-R184 HydrophobicContact CD2-CG 4.37Å; F164-R184 HydrophobicContact CE1-CB 4.47Å; F164-R184 HydrophobicContact CE1-CG 4.02Å; F164-R184 HydrophobicContact CE2-CG 4.18Å; F164-R184 HydrophobicContact CG-CB 4.42Å; F164-R184 HydrophobicContact CG-CG 4.36Å; F164-R184 HydrophobicContact CZ-CG 4.01Å; F164-L187 HydrophobicContact CD1-CB 4.33Å; F164-L187 HydrophobicContact CD1-CD1 3.74Å; F164-L187 HydrophobicContact CE1-CB 3.91Å; F164-L187 HydrophobicContact CE1-CD1 4.14Å; F164-E188 HydrophobicContact CE1-CG 4.14Å; F164-E188 HydrophobicContact CZ-CG 3.81Å; F164-E188 WeakPolarHBondContact CZ-OE1 3.31Å; F164-P449 HydrophobicContact CE1-CB 4.33Å; F164-P449 HydrophobicContact CE1-CG 3.89Å; F164-P449 HydrophobicContact CZ-CB 3.87Å; F164-P449 HydrophobicContact CZ-CG 3.78Å
165K97.6Very high95.6Very high44 Ų4426 Ų2619%0.19113%0.126CC..Hα-helixtrans-60-39.5175.2-73.8173.5179.4172.90111.8E161 H162 Y163 Y168 H169 L180 I331 E369E161-K165 WeakPolarHBondContact O-CG 3.04Å; E161-K165 PolarHBondContact O-N 3.45Å; H162-K165 PolarHBondContact NE2-NZ 3.04Å; H162-K165 PolarHBondContact O-N 3.14Å; Y163-K165 PolarHBondContact O-N 3.1Å; K165-Y168 PolarHBondContact O-N 2.94Å; K165-H169 WeakPolarHBondContact O-CB 3.49Å; K165-H169 PolarHBondContact O-CD2 3.21Å; K165-H169 PolarHBondContact O-N 3.45Å; K165-L180 HydrophobicContact CG-CD2 4.43Å; K165-I331 HydrophobicContact CB-CD1 3.99Å; K165-E369 IonicContact NZ-OE2 2.83Å; K165-E369 PolarHBondContact NZ-OE2 2.93Å
166H97Very high95.9Very high5 Ų526.6 Ų26.62%0.02313%0.129CC..Hα-helixtrans-64.8-46.3-179.8-168.672.8000111.4H162 Y163 F164 S170 N319 F446H162-H166 VanDerWaalsContact O-CB 3.31Å; H162-H166 WeakPolarHBondContact O-CB 3.29Å; H162-H166 PolarHBondContact O-N 2.87Å; Y163-H166 PolarHBondContact O-N 3.46Å; F164-H166 VanDerWaalsContact C-N 3.3Å; F164-H166 PolarHBondContact O-N 2.75Å; H166-S170 WeakPolarHBondContact O-CB 3.49Å; H166-S170 PolarHBondContact O-N 3.43Å; H166-S170 VanDerWaalsContact O-N 3.11Å; H166-N319 PolarHBondContact CE1-ND2 2.84Å; H166-N319 PolarHBondContact ND1-ND2 3.36Å; H166-F446 HydrophobicContact CB-CE1 4.26Å; H166-F446 AromaticContact CD2-CE1 3.96Å; H166-F446 AromaticContact CG-CE1 3.82Å
167V98Very high96.3Very high0 Ų026.6 Ų26.60%014%0.138CC..Hα-helixtrans-61.5-49.3175.7179.60000111.1Y163 F164 N171 T183 L187 V204 M207 L211Y163-V167 HydrophobicContact CD1-CG2 4.46Å; Y163-V167 HydrophobicContact CE1-CG2 4.23Å; Y163-V167 PolarHBondContact O-N 2.92Å; Y163-V167 VanDerWaalsContact O-N 3.16Å; F164-V167 PolarHBondContact O-N 2.98Å; V167-N171 PolarHBondContact O-N 2.9Å; V167-T183 HydrophobicContact CB-CG2 4.13Å; V167-T183 HydrophobicContact CG1-CG2 3.76Å; V167-L187 HydrophobicContact CB-CD1 4.14Å; V167-L187 HydrophobicContact CG1-CD1 4.13Å; V167-L187 HydrophobicContact CG2-CD1 4.03Å; V167-V204 HydrophobicContact CG1-CB 4.33Å; V167-V204 HydrophobicContact CG1-CG1 3.95Å; V167-V204 HydrophobicContact CG1-CG2 4.32Å; V167-M207 HydrophobicContact CB-CG 4.16Å; V167-M207 HydrophobicContact CG1-CB 4.01Å; V167-M207 HydrophobicContact CG1-CG 3.98Å; V167-M207 HydrophobicContact CG2-CG 3.92Å; V167-L211 HydrophobicContact CG2-CD1 3.47Å; V167-L211 VanDerWaalsContact CG2-CD1 3.47Å
168Y98.6Very high96.6Very high48 Ų4820.3 Ų20.319%0.18811%0.114CC..Hα-helixtrans-59.1-58.1-179.6164.9-112.8000112.3F164 K165 S170 N171 A172 L178 L180 I334F164-Y168 WeakPolarHBondContact O-CB 3.43Å; F164-Y168 PolarHBondContact O-N 3.37Å; K165-Y168 PolarHBondContact O-N 2.94Å; Y168-S170 PolarHBondContact O-N 3.49Å; Y168-N171 PolarHBondContact O-N 3.13Å; Y168-A172 HydrophobicContact CE2-CB 4.28Å; Y168-A172 VanDerWaalsContact O-CB 3.23Å; Y168-A172 WeakPolarHBondContact O-CB 3.47Å; Y168-A172 PolarHBondContact O-N 2.99Å; Y168-L178 WeakPolarHBondContact CD2-O 3.41Å; Y168-L178 WeakPolarHBondContact CE2-O 3.32Å; Y168-L180 HydrophobicContact CD1-CB 4.05Å; Y168-L180 HydrophobicContact CD1-CD1 4.12Å; Y168-L180 HydrophobicContact CD2-CB 4.27Å; Y168-L180 HydrophobicContact CE1-CB 4.3Å; Y168-L180 HydrophobicContact CG-CB 4.02Å; Y168-L180 HydrophobicContact CG-CD1 3.99Å; Y168-I334 HydrophobicContact CE1-CG2 4.33Å
169H98.6Very high96.8Very high12 Ų1223 Ų236%0.05613%0.13CC..Hα-helixtrans-66.2-38.7-174.2-73.2-61.2000112.3K165 N171 A172 I173 I331 I332 I334 E335K165-H169 WeakPolarHBondContact O-CB 3.49Å; K165-H169 PolarHBondContact O-CD2 3.21Å; K165-H169 PolarHBondContact O-N 3.45Å; H169-N171 VanDerWaalsContact C-N 3.35Å; H169-N171 PolarHBondContact O-N 2.97Å; H169-A172 PolarHBondContact O-N 3.04Å; H169-I173 WeakPolarHBondContact O-CD1 3.46Å; H169-I173 VanDerWaalsContact O-CG1 3.25Å; H169-I173 WeakPolarHBondContact O-CG1 3.34Å; H169-I173 PolarHBondContact O-N 3.34Å; H169-I331 HydrophobicContact CB-CG2 4.28Å; H169-I332 WeakPolarHBondContact CB-O 3.47Å; H169-I334 PolarHBondContact ND1-N 3.43Å; H169-E335 IonicContact CE1-OE2 2.64Å
170S98.4Very high97.1Very high3 Ų324.4 Ų24.42%0.02114%0.138CC..Hα-helixtrans-65.8-37-179-168.50000112.3H166 Y168 M207 R315H166-S170 WeakPolarHBondContact O-CB 3.49Å; H166-S170 PolarHBondContact O-N 3.43Å; H166-S170 VanDerWaalsContact O-N 3.11Å; Y168-S170 PolarHBondContact O-N 3.49Å; S170-M207 WeakPolarHBondContact OG-CE 3.38Å; S170-R315 PolarHBondContact O-NH2 2.89Å; S170-R315 PolarHBondContact OG-NE 3.37Å; S170-R315 PolarHBondContact OG-NH2 3.49Å
171N98.4Very high97.4Very high1 Ų127.6 Ų27.61%0.00517%0.165CC..Hα-helixtrans-77.3-39.9174-74.2-12.5000112V167 Y168 H169 I173 E174 G175 N176 E203 V204 M207 R312V167-N171 PolarHBondContact O-N 2.9Å; Y168-N171 PolarHBondContact O-N 3.13Å; H169-N171 VanDerWaalsContact C-N 3.35Å; H169-N171 PolarHBondContact O-N 2.97Å; N171-I173 VanDerWaalsContact C-N 3.28Å; N171-I173 PolarHBondContact O-N 3.49Å; N171-E174 PolarHBondContact O-N 3.38Å; N171-G175 PolarHBondContact O-N 2.88Å; N171-N176 HydrophobicContact CB-CB 3.75Å; N171-N176 VanDerWaalsContact O-CB 3.26Å; N171-N176 WeakPolarHBondContact O-CB 3.5Å; N171-N176 PolarHBondContact O-N 3.09Å; N171-N176 VanDerWaalsContact O-N 3.14Å; N171-E203 VanDerWaalsContact ND2-C 3.25Å; N171-E203 PolarHBondContact ND2-O 3.49Å; N171-E203 VanDerWaalsContact ND2-O 3.09Å; N171-V204 WeakPolarHBondContact ND2-CA 3.19Å; N171-V204 PolarHBondContact ND2-N 3.46Å; N171-M207 WeakPolarHBondContact OD1-CE 3.46Å; N171-R312 WeakPolarHBondContact OD1-CD 3.29Å
172A98.5Very high97.6Very high10 Ų1027 Ų278%0.08316%0.162CC..Hα-helixtrans-61.7-35.5179.500000112.5Y168 H169 E174 G175 N176 I334Y168-A172 HydrophobicContact CE2-CB 4.28Å; Y168-A172 VanDerWaalsContact O-CB 3.23Å; Y168-A172 WeakPolarHBondContact O-CB 3.47Å; Y168-A172 PolarHBondContact O-N 2.99Å; H169-A172 PolarHBondContact O-N 3.04Å; A172-E174 PolarHBondContact O-N 2.88Å; A172-G175 PolarHBondContact O-N 3.31Å; A172-N176 WeakPolarHBondContact CA-O 3.32Å; A172-I334 VanDerWaalsContact C-CD1 3.46Å; A172-I334 HydrophobicContact CB-CB 4.11Å; A172-I334 HydrophobicContact CB-CD1 3.96Å; A172-I334 HydrophobicContact CB-CG1 3.95Å; A172-I334 VanDerWaalsContact O-CD1 3.31Å; A172-I334 WeakPolarHBondContact O-CD1 3.43Å
173I97.8Very high97.7Very high0 Ų026.9 Ų26.90%016%0.161CC..Hα-helixtrans-60-35.8175.3-74.6164.4000111.3H169 N171 G175 I332 I334 R337 Y340 Y341H169-I173 WeakPolarHBondContact O-CD1 3.46Å; H169-I173 VanDerWaalsContact O-CG1 3.25Å; H169-I173 WeakPolarHBondContact O-CG1 3.34Å; H169-I173 PolarHBondContact O-N 3.34Å; N171-I173 VanDerWaalsContact C-N 3.28Å; N171-I173 PolarHBondContact O-N 3.49Å; I173-G175 VanDerWaalsContact C-N 3.27Å; I173-G175 PolarHBondContact O-N 3.47Å; I173-I332 HydrophobicContact CD1-CB 4.03Å; I173-I332 HydrophobicContact CD1-CG2 3.62Å; I173-I332 WeakPolarHBondContact CD1-O 3.39Å; I173-I334 HydrophobicContact CG1-CD1 4.12Å; I173-R337 HydrophobicContact CG2-CG 4.43Å; I173-R337 PolarHBondContact O-NE 3.4Å; I173-R337 PolarHBondContact O-NH2 2.87Å; I173-Y340 HydrophobicContact CG2-CD1 4.2Å; I173-Y340 HydrophobicContact CG2-CE1 4.08Å; I173-Y341 HydrophobicContact CG2-CE2 4.38Å; I173-Y341 PolarHBondContact O-OH 3.31Å
174E95.5Very high97.8Very high68 Ų6829.6 Ų29.632%0.31817%0.172SC..THydrogen-bonded Turntrans-82.90.2176.9-53.6-54.1157.700113.3N171 A172 R312 R315N171-E174 PolarHBondContact O-N 3.38Å; A172-E174 PolarHBondContact O-N 2.88Å; E174-R312 HydrophobicContact CG-CG 3.8Å; E174-R315 IonicContact OE1-CZ 3.22Å; E174-R315 VanDerWaalsContact OE1-CZ 3.28Å; E174-R315 IonicContact OE1-NH1 3.31Å; E174-R315 PolarHBondContact OE1-NH1 3.04Å; E174-R315 IonicContact OE1-NH2 3.75Å; E174-R315 PolarHBondContact OE1-NH2 3.29Å
175G96.5Very high97.7Very high46 Ų4631.9 Ų31.947%0.47419%0.188SC..THydrogen-bonded Turntrans105.53.9174.100000115.7N171 A172 I173 T177N171-G175 PolarHBondContact O-N 2.88Å; A172-G175 PolarHBondContact O-N 3.31Å; I173-G175 VanDerWaalsContact C-N 3.27Å; I173-G175 PolarHBondContact O-N 3.47Å; G175-T177 PolarHBondContact O-N 2.86Å
176N98Very high97.7Very high13 Ų1330 Ų307%0.0718%0.179CC..  trans-63133.6173.3-169.5-57.3000110.9N171 A172 L178 E200 E203N171-N176 HydrophobicContact CB-CB 3.75Å; N171-N176 VanDerWaalsContact O-CB 3.26Å; N171-N176 WeakPolarHBondContact O-CB 3.5Å; N171-N176 PolarHBondContact O-N 3.09Å; N171-N176 VanDerWaalsContact O-N 3.14Å; A172-N176 WeakPolarHBondContact CA-O 3.32Å; N176-L178 VanDerWaalsContact OD1-CB 3.31Å; N176-L178 WeakPolarHBondContact OD1-CB 3.24Å; N176-L178 WeakPolarHBondContact OD1-CG 3.5Å; N176-L178 PolarHBondContact OD1-N 2.97Å; N176-E200 VanDerWaalsContact ND2-CA 3.3Å; N176-E200 WeakPolarHBondContact ND2-CA 3.47Å; N176-E200 WeakPolarHBondContact ND2-CB 3.46Å; N176-E200 PolarHBondContact ND2-O 2.82Å; N176-E203 PolarHBondContact ND2-OE2 3.06Å
177T97.8Very high97.7Very high76 Ų7629.9 Ų29.947%0.46618%0.179SC..  trans-101.34.4-171.575.30000114.1G175 K196 E200G175-T177 PolarHBondContact O-N 2.86Å; T177-K196 PolarHBondContact O-NZ 3.23Å; T177-K196 PolarHBondContact OG1-NZ 3.19Å; T177-E200 WeakPolarHBondContact CA-OE1 3.48Å; T177-E200 VanDerWaalsContact CB-OE1 3.23Å; T177-E200 WeakPolarHBondContact CB-OE1 3.22Å; T177-E200 WeakPolarHBondContact CG2-OE1 3.34Å; T177-E200 PolarHBondContact N-OE1 3.42Å; T177-E200 PolarHBondContact OG1-OE1 2.78Å
178L98.2Very high97.5Very high3 Ų334.8 Ų34.82%0.01620%0.202CC..  trans-64.9135.8176.3-69.9167.8000110.5Y168 N176 Q182 I186 K196 E200 Q201 V204Y168-L178 WeakPolarHBondContact CD2-O 3.41Å; Y168-L178 WeakPolarHBondContact CE2-O 3.32Å; N176-L178 VanDerWaalsContact OD1-CB 3.31Å; N176-L178 WeakPolarHBondContact OD1-CB 3.24Å; N176-L178 WeakPolarHBondContact OD1-CG 3.5Å; N176-L178 PolarHBondContact OD1-N 2.97Å; L178-Q182 HydrophobicContact CB-CB 4.4Å; L178-Q182 HydrophobicContact CD2-CB 3.92Å; L178-I186 HydrophobicContact CD1-CD1 3.76Å; L178-I186 HydrophobicContact CD2-CD1 4.18Å; L178-K196 HydrophobicContact CD2-CB 3.78Å; L178-K196 HydrophobicContact CD2-CD 3.89Å; L178-K196 HydrophobicContact CD2-CG 3.58Å; L178-E200 HydrophobicContact CD1-CB 4.12Å; L178-E200 WeakPolarHBondContact CD1-O 3.36Å; L178-E200 HydrophobicContact CG-CB 4.29Å; L178-Q201 HydrophobicContact CD1-CG 4.25Å; L178-V204 HydrophobicContact CD1-CG2 3.59Å
179T98.2Very high97.3Very high67 Ų6735.7 Ų35.741%0.41121%0.213SC..  trans-73.8161.3172.271.60000110.7A181 Q182 T183T179-A181 PolarHBondContact O-N 3.11Å; T179-Q182 PolarHBondContact O-N 3.26Å; T179-Q182 WeakPolarHBondContact OG1-CG 3.2Å; T179-Q182 PolarHBondContact OG1-N 2.89Å; T179-T183 PolarHBondContact O-N 3.32Å; T179-T183 PolarHBondContact O-OG1 2.92Å
180L98Very high97.1Very high52 Ų5239.9 Ų39.927%0.27223%0.228SC..Hα-helixtrans-54-38.9174.317960.3000112.4F164 K165 Y168 R184F164-L180 HydrophobicContact CB-CD1 4.09Å; K165-L180 HydrophobicContact CG-CD2 4.43Å; Y168-L180 HydrophobicContact CD1-CB 4.05Å; Y168-L180 HydrophobicContact CD1-CD1 4.12Å; Y168-L180 HydrophobicContact CD2-CB 4.27Å; Y168-L180 HydrophobicContact CE1-CB 4.3Å; Y168-L180 HydrophobicContact CG-CB 4.02Å; Y168-L180 HydrophobicContact CG-CD1 3.99Å; L180-R184 WeakPolarHBondContact O-CB 3.47Å; L180-R184 PolarHBondContact O-N 3.42Å
181A97.8Very high96.9Very high70 Ų7045.3 Ų45.358%0.57926%0.256SS*.Hα-helixtrans-66.7-40177.500000112.4T179 R184 S185T179-A181 PolarHBondContact O-N 3.11Å; A181-R184 PolarHBondContact O-N 3.41Å; A181-S185 WeakPolarHBondContact O-CB 3.44Å; A181-S185 PolarHBondContact O-N 3.26Å
182Q98.2Very high96.7Very high43 Ų4348.8 Ų48.820%0.20129%0.285CS..Hα-helixtrans-67.7-45.3176-68.5175.3-39.600111.3L178 T179 R184 S185 I186 V193L178-Q182 HydrophobicContact CB-CB 4.4Å; L178-Q182 HydrophobicContact CD2-CB 3.92Å; T179-Q182 PolarHBondContact O-N 3.26Å; T179-Q182 WeakPolarHBondContact OG1-CG 3.2Å; T179-Q182 PolarHBondContact OG1-N 2.89Å; Q182-R184 VanDerWaalsContact C-N 3.32Å; Q182-R184 PolarHBondContact O-N 2.91Å; Q182-S185 PolarHBondContact O-N 3.42Å; Q182-I186 WeakPolarHBondContact O-CG1 3.09Å; Q182-I186 PolarHBondContact O-N 3.3Å; Q182-V193 HydrophobicContact CB-CG1 4.34Å; Q182-V193 HydrophobicContact CB-CG2 4.31Å; Q182-V193 HydrophobicContact CG-CG1 3.91Å
183T97.9Very high96.4Very high2 Ų249.5 Ų49.51%0.01229%0.289CS..Hα-helixtrans-56.4-46.3174.2-640000111.2V167 T179 I186 L187 V204V167-T183 HydrophobicContact CB-CG2 4.13Å; V167-T183 HydrophobicContact CG1-CG2 3.76Å; T179-T183 PolarHBondContact O-N 3.32Å; T179-T183 PolarHBondContact O-OG1 2.92Å; T183-I186 PolarHBondContact O-N 3.46Å; T183-L187 HydrophobicContact CG2-CD1 4.02Å; T183-L187 VanDerWaalsContact O-CG 3.28Å; T183-L187 WeakPolarHBondContact O-CG 3.4Å; T183-L187 PolarHBondContact O-N 3.03Å; T183-L187 VanDerWaalsContact O-N 3.12Å; T183-V204 HydrophobicContact CG2-CG1 3.96Å; T183-V204 HydrophobicContact CG2-CG2 4.13Å
184R96.9Very high96.2Very high58 Ų5852.8 Ų52.822%0.21932%0.322CS..Hα-helixtrans-58.9-50.4174.8178.1174-56.5-166.53.2111.9E161 F164 L180 A181 Q182 I186 L187 E188E161-R184 IonicContact OE1-CZ 2.83Å; E161-R184 VanDerWaalsContact OE1-CZ 3.25Å; E161-R184 IonicContact OE1-NH1 2.79Å; E161-R184 PolarHBondContact OE1-NH1 2.96Å; E161-R184 IonicContact OE1-NH2 3.05Å; E161-R184 PolarHBondContact OE1-NH2 3.35Å; E161-R184 IonicContact OE2-CZ 3.39Å; E161-R184 IonicContact OE2-NH1 3.64Å; E161-R184 IonicContact OE2-NH2 3.47Å; E161-R184 PolarHBondContact OE2-NH2 2.93Å; F164-R184 HydrophobicContact CD1-CB 4.22Å; F164-R184 HydrophobicContact CD1-CG 4.19Å; F164-R184 HydrophobicContact CD2-CG 4.37Å; F164-R184 HydrophobicContact CE1-CB 4.47Å; F164-R184 HydrophobicContact CE1-CG 4.02Å; F164-R184 HydrophobicContact CE2-CG 4.18Å; F164-R184 HydrophobicContact CG-CB 4.42Å; F164-R184 HydrophobicContact CG-CG 4.36Å; F164-R184 HydrophobicContact CZ-CG 4.01Å; L180-R184 WeakPolarHBondContact O-CB 3.47Å; L180-R184 PolarHBondContact O-N 3.42Å; A181-R184 PolarHBondContact O-N 3.41Å; Q182-R184 VanDerWaalsContact C-N 3.32Å; Q182-R184 PolarHBondContact O-N 2.91Å; R184-I186 VanDerWaalsContact C-N 3.29Å; R184-I186 PolarHBondContact O-N 3.39Å; R184-L187 PolarHBondContact O-N 3.45Å; R184-E188 WeakPolarHBondContact CD-OE1 3.32Å; R184-E188 HydrophobicContact CG-CG 4.02Å; R184-E188 WeakPolarHBondContact CG-OE1 3.44Å; R184-E188 WeakPolarHBondContact CG-OE2 3.42Å; R184-E188 WeakPolarHBondContact O-CG 3.21Å; R184-E188 PolarHBondContact O-N 3.38Å
185S97Very high96.2Very high48 Ų4853.8 Ų53.834%0.33635%0.351SS..Hα-helixtrans-56.5-42.8-179.6178.80000112.1A181 Q182 L187 T189A181-S185 WeakPolarHBondContact O-CB 3.44Å; A181-S185 PolarHBondContact O-N 3.26Å; Q182-S185 PolarHBondContact O-N 3.42Å; S185-L187 PolarHBondContact O-N 3.42Å; S185-T189 WeakPolarHBondContact O-CB 3.36Å; S185-T189 PolarHBondContact O-N 3.3Å; S185-T189 PolarHBondContact O-OG1 3.05Å
186I96.9Very high96.2Very high4 Ų454.4 Ų54.42%0.02134%0.341CS..Hα-helixtrans-61.8-44.4176-67.3162.6000111.1L178 Q182 T183 R184 R190 V193 Q201 V204 L205L178-I186 HydrophobicContact CD1-CD1 3.76Å; L178-I186 HydrophobicContact CD2-CD1 4.18Å; Q182-I186 WeakPolarHBondContact O-CG1 3.09Å; Q182-I186 PolarHBondContact O-N 3.3Å; T183-I186 PolarHBondContact O-N 3.46Å; R184-I186 VanDerWaalsContact C-N 3.29Å; R184-I186 PolarHBondContact O-N 3.39Å; I186-R190 WeakPolarHBondContact O-CA 3.39Å; I186-R190 PolarHBondContact O-N 2.88Å; I186-V193 HydrophobicContact CD1-CG2 4.02Å; I186-V193 HydrophobicContact CG1-CG2 3.69Å; I186-Q201 HydrophobicContact CD1-CB 4.17Å; I186-Q201 HydrophobicContact CD1-CG 3.77Å; I186-V204 HydrophobicContact CB-CG1 4.28Å; I186-V204 HydrophobicContact CG2-CG1 3.91Å; I186-L205 HydrophobicContact CG2-CD2 3.95Å; I186-L205 HydrophobicContact CG2-CG 4.33Å
187L95.8Very high96.1Very high4 Ų456.2 Ų56.22%0.02135%0.354CS..Hα-helixtrans-71.5-37.6-177-67.3173.3000113Y163 F164 V167 T183 R184 S185 R190 V204 D208Y163-L187 HydrophobicContact CE1-CD1 4.4Å; F164-L187 HydrophobicContact CD1-CB 4.33Å; F164-L187 HydrophobicContact CD1-CD1 3.74Å; F164-L187 HydrophobicContact CE1-CB 3.91Å; F164-L187 HydrophobicContact CE1-CD1 4.14Å; V167-L187 HydrophobicContact CB-CD1 4.14Å; V167-L187 HydrophobicContact CG1-CD1 4.13Å; V167-L187 HydrophobicContact CG2-CD1 4.03Å; T183-L187 HydrophobicContact CG2-CD1 4.02Å; T183-L187 VanDerWaalsContact O-CG 3.28Å; T183-L187 WeakPolarHBondContact O-CG 3.4Å; T183-L187 PolarHBondContact O-N 3.03Å; T183-L187 VanDerWaalsContact O-N 3.12Å; R184-L187 PolarHBondContact O-N 3.45Å; S185-L187 PolarHBondContact O-N 3.42Å; L187-R190 PolarHBondContact O-NE 3.26Å; L187-V204 HydrophobicContact CD1-CG1 4.25Å; L187-V204 HydrophobicContact CD2-CG1 3.72Å; L187-V204 HydrophobicContact CG-CG1 3.78Å; L187-D208 HydrophobicContact CD2-CB 3.43Å; L187-D208 VanDerWaalsContact CD2-CB 3.43Å
188E94.1Very high96Very high103 Ų10358.5 Ų58.548%0.48136%0.363SS..Hα-helixtrans-78.3-40.6-179.7-70.1176.716400112.7F164 R184F164-E188 HydrophobicContact CE1-CG 4.14Å; F164-E188 HydrophobicContact CZ-CG 3.81Å; F164-E188 WeakPolarHBondContact CZ-OE1 3.31Å; R184-E188 WeakPolarHBondContact CD-OE1 3.32Å; R184-E188 HydrophobicContact CG-CG 4.02Å; R184-E188 WeakPolarHBondContact CG-OE1 3.44Å; R184-E188 WeakPolarHBondContact CG-OE2 3.42Å; R184-E188 WeakPolarHBondContact O-CG 3.21Å; R184-E188 PolarHBondContact O-N 3.38Å
189T94.8Very high96Very high67 Ų6762.9 Ų62.941%0.41139%0.386SS..Hα-helixtrans-103.2-19.4-171.669.90000113.8S185 L191S185-T189 WeakPolarHBondContact O-CB 3.36Å; S185-T189 PolarHBondContact O-N 3.3Å; S185-T189 PolarHBondContact O-OG1 3.05Å; T189-L191 PolarHBondContact O-N 3.02Å; T189-L191 VanDerWaalsContact O-N 3.13Å; T189-L191 WeakPolarHBondContact OG1-CB 3.29Å; T189-L191 PolarHBondContact OG1-N 3.28Å; T189-L191 VanDerWaalsContact OG1-N 3.11Å
190R93.8Very high96Very high99 Ų9961 Ų6137%0.37437%0.372SS..  trans56.418-168-50.7-60-177.7170.9-2.7113.8I186 L187 L205 D208 R212 E450I186-R190 WeakPolarHBondContact O-CA 3.39Å; I186-R190 PolarHBondContact O-N 2.88Å; L187-R190 PolarHBondContact O-NE 3.26Å; R190-L205 VanDerWaalsContact NH1-CD2 3.34Å; R190-D208 IonicContact CZ-OD2 3.25Å; R190-D208 VanDerWaalsContact CZ-OD2 3.25Å; R190-D208 IonicContact NH1-OD2 2.76Å; R190-D208 PolarHBondContact NH1-OD2 3.17Å; R190-D208 IonicContact NH2-OD2 2.82Å; R190-D208 PolarHBondContact NH2-OD2 3.07Å; R190-R212 VanDerWaalsContact NH2-NH2 3.16Å; R190-E450 IonicContact CZ-OE1 3.6Å; R190-E450 IonicContact NE-OE1 3.5Å; R190-E450 IonicContact NH2-OE1 2.83Å; R190-E450 PolarHBondContact NH2-OE1 3.3Å
191L94.4Very high96Very high118 Ų11859 Ų5962%0.61836%0.362SS*.PPolyproline II helixtrans-90.8145.3174.8-61177.2000110.9T189T189-L191 PolarHBondContact O-N 3.02Å; T189-L191 VanDerWaalsContact O-N 3.13Å; T189-L191 WeakPolarHBondContact OG1-CB 3.29Å; T189-L191 PolarHBondContact OG1-N 3.28Å; T189-L191 VanDerWaalsContact OG1-N 3.11Å
192A93.8Very high96Very high73 Ų7358 Ų5860%0.60335%0.347SS*.PPolyproline II helixtrans-72.6141.5176.300000111.4
193V93.7Very high96Very high26 Ų2657 Ų5716%0.15834%0.342CS..PPolyproline II helixtrans-91.8128175.5176.30000109.7Q182 I186 K196 Q201Q182-V193 HydrophobicContact CB-CG1 4.34Å; Q182-V193 HydrophobicContact CB-CG2 4.31Å; Q182-V193 HydrophobicContact CG-CG1 3.91Å; I186-V193 HydrophobicContact CD1-CG2 4.02Å; I186-V193 HydrophobicContact CG1-CG2 3.69Å; V193-K196 HydrophobicContact CG1-CG 4.46Å; V193-Q201 PolarHBondContact O-NE2 2.89Å
194G93.1Very high96Very high69 Ų6957 Ų5771%0.71134%0.341SS*.THydrogen-bonded Turntrans-64.9145.9178.200000113.2K196G194-K196 VanDerWaalsContact C-N 3.3Å; G194-K196 PolarHBondContact O-N 3.23Å
195G94.9Very high96.1Very high89 Ų8955.9 Ų55.992%0.91834%0.34SS*.THydrogen-bonded Turntrans77.96.2175.700000115.7
196K96Very high96.1Very high59 Ų5953.6 Ų53.626%0.25732%0.324SS..SBendtrans-119.9151.2177.5-66-77.3173.9175.30110.2T177 L178 V193 G194 Q201T177-K196 PolarHBondContact O-NZ 3.23Å; T177-K196 PolarHBondContact OG1-NZ 3.19Å; L178-K196 HydrophobicContact CD2-CB 3.78Å; L178-K196 HydrophobicContact CD2-CD 3.89Å; L178-K196 HydrophobicContact CD2-CG 3.58Å; V193-K196 HydrophobicContact CG1-CG 4.46Å; G194-K196 VanDerWaalsContact C-N 3.3Å; G194-K196 PolarHBondContact O-N 3.23Å; K196-Q201 PolarHBondContact O-NE2 2.86Å
197S97Very high96.1Very high51 Ų5153.4 Ų53.436%0.35732%0.323SS..  trans-69.2149-17771.70000111.3L199 E200 Q201S197-L199 PolarHBondContact O-N 2.91Å; S197-E200 WeakPolarHBondContact CB-OE2 3.17Å; S197-E200 PolarHBondContact N-OE2 3.05Å; S197-E200 VanDerWaalsContact N-OE2 3.1Å; S197-E200 PolarHBondContact O-N 3.02Å; S197-E200 WeakPolarHBondContact OG-CB 3.44Å; S197-E200 WeakPolarHBondContact OG-CG 3.34Å; S197-E200 PolarHBondContact OG-N 3.38Å; S197-E200 VanDerWaalsContact OG-N 3.15Å; S197-E200 PolarHBondContact OG-OE2 3.13Å; S197-Q201 WeakPolarHBondContact O-CG 3.25Å; S197-Q201 PolarHBondContact O-N 3.34Å
198L96.2Very high96.2Very high123 Ų12353.5 Ų53.564%0.64432%0.323SS*.Hα-helixtrans-62.9-31.9173-69.6178.1000111.5Q201 N202L198-Q201 PolarHBondContact O-N 3.17Å; L198-N202 VanDerWaalsContact O-CB 3.31Å; L198-N202 WeakPolarHBondContact O-CB 3.36Å; L198-N202 PolarHBondContact O-N 3.05Å; L198-N202 PolarHBondContact O-OD1 3.07Å
199L97Very high96.4Very high95 Ų9549.7 Ų49.750%0.49731%0.308SS..Hα-helixtrans-58.3-52.7176.5178.861.1000111.1S197 Q201 N202 E203 V242S197-L199 PolarHBondContact O-N 2.91Å; L199-Q201 PolarHBondContact O-N 2.95Å; L199-N202 WeakPolarHBondContact O-CB 3.43Å; L199-N202 PolarHBondContact O-N 3.29Å; L199-N202 VanDerWaalsContact O-N 3.12Å; L199-E203 WeakPolarHBondContact O-CG 3.43Å; L199-E203 PolarHBondContact O-N 3.38Å; L199-V242 HydrophobicContact CD1-CB 4.4Å; L199-V242 HydrophobicContact CD1-CG1 3.67Å; L199-V242 HydrophobicContact CD1-CG2 4.28Å
200E97.8Very high96.5Very high27 Ų2746.5 Ų46.513%0.12629%0.289CS..Hα-helixtrans-59.4-36.6179-73.3166.7112.200112.7N176 T177 L178 S197 V204N176-E200 VanDerWaalsContact ND2-CA 3.3Å; N176-E200 WeakPolarHBondContact ND2-CA 3.47Å; N176-E200 WeakPolarHBondContact ND2-CB 3.46Å; N176-E200 PolarHBondContact ND2-O 2.82Å; T177-E200 WeakPolarHBondContact CA-OE1 3.48Å; T177-E200 VanDerWaalsContact CB-OE1 3.23Å; T177-E200 WeakPolarHBondContact CB-OE1 3.22Å; T177-E200 WeakPolarHBondContact CG2-OE1 3.34Å; T177-E200 PolarHBondContact N-OE1 3.42Å; T177-E200 PolarHBondContact OG1-OE1 2.78Å; L178-E200 HydrophobicContact CD1-CB 4.12Å; L178-E200 WeakPolarHBondContact CD1-O 3.36Å; L178-E200 HydrophobicContact CG-CB 4.29Å; S197-E200 WeakPolarHBondContact CB-OE2 3.17Å; S197-E200 PolarHBondContact N-OE2 3.05Å; S197-E200 VanDerWaalsContact N-OE2 3.1Å; S197-E200 PolarHBondContact O-N 3.02Å; S197-E200 WeakPolarHBondContact OG-CB 3.44Å; S197-E200 WeakPolarHBondContact OG-CG 3.34Å; S197-E200 PolarHBondContact OG-N 3.38Å; S197-E200 VanDerWaalsContact OG-N 3.15Å; S197-E200 PolarHBondContact OG-OE2 3.13Å; E200-V204 PolarHBondContact O-N 2.88Å
201Q98.2Very high96.6Very high11 Ų1141.8 Ų41.85%0.05127%0.271CS..Hα-helixtrans-71.7-38.5178-61.3-176.859.300111.3L178 I186 V193 K196 S197 L198 L199 E203 V204 L205L178-Q201 HydrophobicContact CD1-CG 4.25Å; I186-Q201 HydrophobicContact CD1-CB 4.17Å; I186-Q201 HydrophobicContact CD1-CG 3.77Å; V193-Q201 PolarHBondContact O-NE2 2.89Å; K196-Q201 PolarHBondContact O-NE2 2.86Å; S197-Q201 WeakPolarHBondContact O-CG 3.25Å; S197-Q201 PolarHBondContact O-N 3.34Å; L198-Q201 PolarHBondContact O-N 3.17Å; L199-Q201 PolarHBondContact O-N 2.95Å; Q201-E203 VanDerWaalsContact C-N 3.32Å; Q201-E203 PolarHBondContact O-N 3.28Å; Q201-V204 WeakPolarHBondContact O-CB 3.44Å; Q201-V204 PolarHBondContact O-N 3.24Å; Q201-L205 PolarHBondContact O-N 3.49Å; Q201-L205 VanDerWaalsContact O-N 3.12Å
202N98Very high96.5Very high49 Ų4938.3 Ų38.326%0.26225%0.25SC..Hα-helixtrans-65.1-34.6174.8-74.4-5.7000112.3L198 L199 V204 L205 G206 F241 V242L198-N202 VanDerWaalsContact O-CB 3.31Å; L198-N202 WeakPolarHBondContact O-CB 3.36Å; L198-N202 PolarHBondContact O-N 3.05Å; L198-N202 PolarHBondContact O-OD1 3.07Å; L199-N202 WeakPolarHBondContact O-CB 3.43Å; L199-N202 PolarHBondContact O-N 3.29Å; L199-N202 VanDerWaalsContact O-N 3.12Å; N202-V204 VanDerWaalsContact C-N 3.31Å; N202-V204 PolarHBondContact O-N 3.14Å; N202-L205 PolarHBondContact O-N 3.1Å; N202-G206 PolarHBondContact O-N 2.82Å; N202-F241 HydrophobicContact CB-CB 3.61Å; N202-F241 VanDerWaalsContact CB-O 3.23Å; N202-F241 WeakPolarHBondContact CB-O 3.45Å; N202-F241 VanDerWaalsContact CG-O 3.27Å; N202-F241 PolarHBondContact ND2-O 3.1Å; N202-V242 HydrophobicContact CB-CG2 4.29Å
203E98.2Very high96.5Very high23 Ų2336 Ų3611%0.10723%0.225CC..Hα-helixtrans-64.3-35.1172.6-66.6-179134.300112.6N171 N176 L199 Q201 M207 V242 R312N171-E203 VanDerWaalsContact ND2-C 3.25Å; N171-E203 PolarHBondContact ND2-O 3.49Å; N171-E203 VanDerWaalsContact ND2-O 3.09Å; N176-E203 PolarHBondContact ND2-OE2 3.06Å; L199-E203 WeakPolarHBondContact O-CG 3.43Å; L199-E203 PolarHBondContact O-N 3.38Å; Q201-E203 VanDerWaalsContact C-N 3.32Å; Q201-E203 PolarHBondContact O-N 3.28Å; E203-M207 WeakPolarHBondContact O-CB 3.27Å; E203-M207 PolarHBondContact O-N 3.18Å; E203-V242 HydrophobicContact CG-CG2 3.77Å; E203-R312 VanDerWaalsContact CG-NH1 3.34Å; E203-R312 IonicContact OE1-CZ 2.67Å; E203-R312 IonicContact OE1-NH1 3.25Å; E203-R312 PolarHBondContact OE1-NH1 3Å; E203-R312 IonicContact OE1-NH2 3.66Å
204V98.3Very high96.5Very high0 Ų034.8 Ų34.80%022%0.218CC..Hα-helixtrans-64.7-46.9173.6166.50000110.4V167 N171 L178 T183 I186 L187 E200 Q201 N202 G206 M207 D208V167-V204 HydrophobicContact CG1-CB 4.33Å; V167-V204 HydrophobicContact CG1-CG1 3.95Å; V167-V204 HydrophobicContact CG1-CG2 4.32Å; N171-V204 WeakPolarHBondContact ND2-CA 3.19Å; N171-V204 PolarHBondContact ND2-N 3.46Å; L178-V204 HydrophobicContact CD1-CG2 3.59Å; T183-V204 HydrophobicContact CG2-CG1 3.96Å; T183-V204 HydrophobicContact CG2-CG2 4.13Å; I186-V204 HydrophobicContact CB-CG1 4.28Å; I186-V204 HydrophobicContact CG2-CG1 3.91Å; L187-V204 HydrophobicContact CD1-CG1 4.25Å; L187-V204 HydrophobicContact CD2-CG1 3.72Å; L187-V204 HydrophobicContact CG-CG1 3.78Å; E200-V204 PolarHBondContact O-N 2.88Å; Q201-V204 WeakPolarHBondContact O-CB 3.44Å; Q201-V204 PolarHBondContact O-N 3.24Å; N202-V204 VanDerWaalsContact C-N 3.31Å; N202-V204 PolarHBondContact O-N 3.14Å; V204-G206 VanDerWaalsContact C-N 3.35Å; V204-G206 PolarHBondContact O-N 3.21Å; V204-M207 PolarHBondContact O-N 3.28Å; V204-D208 WeakPolarHBondContact O-CB 3.48Å; V204-D208 PolarHBondContact O-N 3.24Å
205L97.8Very high96.3Very high36 Ų3631.9 Ų31.919%0.18819%0.186CC..Hα-helixtrans-64.6-37.5177.1-63.7176.4000112.6I186 R190 Q201 N202 D208 S209 F241I186-L205 HydrophobicContact CG2-CD2 3.95Å; I186-L205 HydrophobicContact CG2-CG 4.33Å; R190-L205 VanDerWaalsContact NH1-CD2 3.34Å; Q201-L205 PolarHBondContact O-N 3.49Å; Q201-L205 VanDerWaalsContact O-N 3.12Å; N202-L205 PolarHBondContact O-N 3.1Å; L205-D208 PolarHBondContact O-N 3.33Å; L205-S209 WeakPolarHBondContact O-CB 3.49Å; L205-S209 PolarHBondContact O-N 3.44Å; L205-F241 HydrophobicContact CB-CD2 3.71Å; L205-F241 HydrophobicContact CB-CE2 3.91Å; L205-F241 HydrophobicContact CB-CG 4.15Å; L205-F241 HydrophobicContact CB-CZ 4.5Å
206G98Very high96Very high0 Ų031.5 Ų31.50%016%0.163CC..Hα-helixtrans-66-44.4176.900000112.5N202 V204 S209 A210 L238N202-G206 PolarHBondContact O-N 2.82Å; V204-G206 VanDerWaalsContact C-N 3.35Å; V204-G206 PolarHBondContact O-N 3.21Å; G206-S209 PolarHBondContact O-N 3.07Å; G206-A210 PolarHBondContact O-N 2.97Å; G206-L238 WeakPolarHBondContact CA-O 3.3Å
207M97.9Very high95.5Very high0 Ų032 Ų320%017%0.172CC..Hα-helixtrans-61.1-45.5174.7-175.465.369.700111.6V167 S170 N171 E203 V204 S209 A210 L211 L238 R312 L316V167-M207 HydrophobicContact CB-CG 4.16Å; V167-M207 HydrophobicContact CG1-CB 4.01Å; V167-M207 HydrophobicContact CG1-CG 3.98Å; V167-M207 HydrophobicContact CG2-CG 3.92Å; S170-M207 WeakPolarHBondContact OG-CE 3.38Å; N171-M207 WeakPolarHBondContact OD1-CE 3.46Å; E203-M207 WeakPolarHBondContact O-CB 3.27Å; E203-M207 PolarHBondContact O-N 3.18Å; V204-M207 PolarHBondContact O-N 3.28Å; M207-S209 PolarHBondContact O-N 2.67Å; M207-A210 PolarHBondContact O-N 3.15Å; M207-A210 VanDerWaalsContact O-N 3.15Å; M207-L211 HydrophobicContact CG-CD1 4.26Å; M207-L211 WeakPolarHBondContact O-CG 3.36Å; M207-L211 PolarHBondContact O-N 3.16Å; M207-L238 HydrophobicContact CB-CD1 4.35Å; M207-L238 HydrophobicContact CE-CD1 3.78Å; M207-L238 HydrophobicContact SD-CD1 4.13Å; M207-R312 HydrophobicContact CE-CB 3.75Å; M207-R312 HydrophobicContact CE-CG 3.63Å; M207-L316 HydrophobicContact SD-CD1 4.07Å; M207-L316 HydrophobicContact SD-CD2 3.92Å; M207-L316 HydrophobicContact SD-CG 4.08Å
208D97.3Very high95Very high5 Ų530 Ų303%0.02716%0.157CC..Hα-helixtrans-57.1-47173.7178.357.6000112.2Y163 L187 R190 V204 L205 A210 L211 R212Y163-D208 WeakPolarHBondContact CE1-OD1 3.45Å; Y163-D208 VanDerWaalsContact CZ-OD1 3.3Å; Y163-D208 PolarHBondContact OH-O 3.42Å; Y163-D208 PolarHBondContact OH-OD1 3.17Å; L187-D208 HydrophobicContact CD2-CB 3.43Å; L187-D208 VanDerWaalsContact CD2-CB 3.43Å; R190-D208 IonicContact CZ-OD2 3.25Å; R190-D208 VanDerWaalsContact CZ-OD2 3.25Å; R190-D208 IonicContact NH1-OD2 2.76Å; R190-D208 PolarHBondContact NH1-OD2 3.17Å; R190-D208 IonicContact NH2-OD2 2.82Å; R190-D208 PolarHBondContact NH2-OD2 3.07Å; V204-D208 WeakPolarHBondContact O-CB 3.48Å; V204-D208 PolarHBondContact O-N 3.24Å; L205-D208 PolarHBondContact O-N 3.33Å; D208-A210 PolarHBondContact O-N 3.03Å; D208-L211 PolarHBondContact O-N 2.77Å; D208-R212 WeakPolarHBondContact O-CG 3.22Å; D208-R212 PolarHBondContact O-N 3.48Å; D208-R212 IonicContact OD1-NE 2.7Å; D208-R212 IonicContact OD2-CZ 3.91Å; D208-R212 IonicContact OD2-NE 2.84Å
209S97.1Very high94.5Very high24 Ų2425.3 Ų25.317%0.16813%0.132CC..Hα-helixtrans-60.1-34.1176.4179.20000112.9L205 G206 M207 Y213L205-S209 WeakPolarHBondContact O-CB 3.49Å; L205-S209 PolarHBondContact O-N 3.44Å; G206-S209 PolarHBondContact O-N 3.07Å; M207-S209 PolarHBondContact O-N 2.67Å; S209-Y213 PolarHBondContact O-N 3.49Å
210A97.5Very high93.5Very high0 Ų030.1 Ų30.10%014%0.144CC..Hα-helixtrans-76-41.5178.300000111.8G206 M207 D208 R212 Y213 I214 R237 L238 L316G206-A210 PolarHBondContact O-N 2.97Å; M207-A210 PolarHBondContact O-N 3.15Å; M207-A210 VanDerWaalsContact O-N 3.15Å; D208-A210 PolarHBondContact O-N 3.03Å; A210-R212 PolarHBondContact O-N 3.29Å; A210-Y213 WeakPolarHBondContact O-CB 3.41Å; A210-Y213 PolarHBondContact O-N 3.35Å; A210-I214 PolarHBondContact O-N 3.31Å; A210-R237 HydrophobicContact CB-CB 4.16Å; A210-L238 HydrophobicContact CB-CB 4.43Å; A210-L316 HydrophobicContact CB-CD1 3.63Å; A210-L316 HydrophobicContact CB-CD2 4.36Å
211L95.6Very high91.7Very high0 Ų031 Ų310%016%0.16CC..Hα-helixtrans-62.3-42.4175.4-68.7170.4000112.1Y163 V167 M207 D208 Y213 I214 N215 L316 F446Y163-L211 HydrophobicContact CD2-CD1 4.44Å; Y163-L211 HydrophobicContact CE1-CD1 4.41Å; Y163-L211 HydrophobicContact CE2-CB 3.86Å; Y163-L211 HydrophobicContact CE2-CD1 3.92Å; V167-L211 HydrophobicContact CG2-CD1 3.47Å; V167-L211 VanDerWaalsContact CG2-CD1 3.47Å; M207-L211 HydrophobicContact CG-CD1 4.26Å; M207-L211 WeakPolarHBondContact O-CG 3.36Å; M207-L211 PolarHBondContact O-N 3.16Å; D208-L211 PolarHBondContact O-N 2.77Å; L211-Y213 VanDerWaalsContact C-N 3.25Å; L211-Y213 PolarHBondContact O-N 3.48Å; L211-I214 WeakPolarHBondContact O-CB 3.13Å; L211-I214 PolarHBondContact O-N 2.86Å; L211-I214 VanDerWaalsContact O-N 3.17Å; L211-N215 PolarHBondContact O-N 3.31Å; L211-L316 HydrophobicContact CD2-CD2 3.51Å; L211-L316 HydrophobicContact CG-CD2 4.02Å; L211-F446 HydrophobicContact CD2-CD1 4.05Å; L211-F446 HydrophobicContact CD2-CD2 3.59Å; L211-F446 HydrophobicContact CD2-CE1 3.78Å; L211-F446 HydrophobicContact CD2-CE2 3.3Å; L211-F446 HydrophobicContact CD2-CG 3.98Å; L211-F446 HydrophobicContact CD2-CZ 3.4Å; L211-F446 VanDerWaalsContact CD2-CZ 3.4Å
212R93.2Very high89.7Confident45 Ų4537.1 Ų37.117%0.1719%0.193CC..Hα-helixtrans-59.7-36.7173.9-73.8-179.9177.9-156.4-11.1112.5R190 D208 A210 N215 N216 D448 E450R190-R212 VanDerWaalsContact NH2-NH2 3.16Å; D208-R212 WeakPolarHBondContact O-CG 3.22Å; D208-R212 PolarHBondContact O-N 3.48Å; D208-R212 IonicContact OD1-NE 2.7Å; D208-R212 IonicContact OD2-CZ 3.91Å; D208-R212 IonicContact OD2-NE 2.84Å; A210-R212 PolarHBondContact O-N 3.29Å; R212-N215 PolarHBondContact O-N 3.44Å; R212-N216 VanDerWaalsContact O-CB 3.23Å; R212-N216 WeakPolarHBondContact O-CB 3.37Å; R212-N216 VanDerWaalsContact O-CG 3.29Å; R212-N216 PolarHBondContact O-N 3.41Å; R212-N216 PolarHBondContact O-ND2 2.92Å; R212-D448 IonicContact CZ-OD1 2.72Å; R212-D448 IonicContact NE-OD1 2.77Å; R212-D448 IonicContact NH2-OD1 3.13Å; R212-D448 PolarHBondContact NH2-OD1 3.28Å; R212-E450 IonicContact CZ-OE1 3.39Å; R212-E450 IonicContact CZ-OE2 2.66Å; R212-E450 IonicContact NH1-OE1 3.25Å; R212-E450 PolarHBondContact NH1-OE1 3.31Å; R212-E450 IonicContact NH1-OE2 3.57Å; R212-E450 PolarHBondContact NH1-OE2 3.14Å; R212-E450 IonicContact NH2-OE1 2.91Å; R212-E450 PolarHBondContact NH2-OE1 2.96Å; R212-E450 IonicContact NH2-OE2 3.28Å; R212-E450 PolarHBondContact NH2-OE2 3.02Å; R212-E450 VanDerWaalsContact NH2-OE2 3.13Å
213Y93.6Very high87.8Confident24 Ų2440.1 Ų40.19%0.09421%0.208CC..Hα-helixtrans-68.7-38.8175.9174.5-112.9000112.8S209 A210 L211 N215 T217 L218 E233 L234 R237S209-Y213 PolarHBondContact O-N 3.49Å; A210-Y213 WeakPolarHBondContact O-CB 3.41Å; A210-Y213 PolarHBondContact O-N 3.35Å; L211-Y213 VanDerWaalsContact C-N 3.25Å; L211-Y213 PolarHBondContact O-N 3.48Å; Y213-N215 VanDerWaalsContact C-N 3.35Å; Y213-T217 HydrophobicContact CD2-CG2 4.31Å; Y213-T217 HydrophobicContact CE2-CG2 3.65Å; Y213-T217 WeakPolarHBondContact O-CB 3.4Å; Y213-T217 PolarHBondContact O-N 3.31Å; Y213-L218 HydrophobicContact CD1-CD1 3.99Å; Y213-L218 HydrophobicContact CD1-CG 4.13Å; Y213-L218 HydrophobicContact CE1-CD1 3.63Å; Y213-L218 HydrophobicContact CE1-CD2 3.86Å; Y213-L218 HydrophobicContact CE1-CG 3.69Å; Y213-L218 PolarHBondContact O-N 3.17Å; Y213-E233 HydrophobicContact CD1-CG 4.28Å; Y213-E233 HydrophobicContact CD2-CG 4.48Å; Y213-E233 HydrophobicContact CE1-CB 4.1Å; Y213-E233 HydrophobicContact CE1-CG 3.6Å; Y213-E233 HydrophobicContact CE2-CG 3.85Å; Y213-E233 WeakPolarHBondContact OH-CG 3.37Å; Y213-L234 HydrophobicContact CD1-CD2 3.76Å; Y213-L234 HydrophobicContact CD1-CG 4.14Å; Y213-L234 HydrophobicContact CE1-CD2 4.28Å; Y213-L234 HydrophobicContact CE1-CG 4.17Å; Y213-R237 VanDerWaalsContact CG-CD 3.47Å
214I92.7Very high86.2Confident0 Ų042.8 Ų42.80%023%0.226CC..Iπ-helixtrans-55.6-53.4170.6-69.1174.7000109.7A210 L211 L218 L219 L234 L316 L320 F446A210-I214 PolarHBondContact O-N 3.31Å; L211-I214 WeakPolarHBondContact O-CB 3.13Å; L211-I214 PolarHBondContact O-N 2.86Å; L211-I214 VanDerWaalsContact O-N 3.17Å; I214-L218 HydrophobicContact CG1-CD1 4.29Å; I214-L218 PolarHBondContact O-N 3.32Å; I214-L219 HydrophobicContact CG2-CD1 3.49Å; I214-L219 VanDerWaalsContact CG2-CD1 3.49Å; I214-L219 HydrophobicContact CG2-CG 3.99Å; I214-L219 WeakPolarHBondContact O-CB 3.26Å; I214-L219 WeakPolarHBondContact O-CD1 3.28Å; I214-L219 WeakPolarHBondContact O-CG 3.47Å; I214-L219 PolarHBondContact O-N 3.04Å; I214-L234 HydrophobicContact CD1-CD2 3.95Å; I214-L234 HydrophobicContact CG1-CD2 3.57Å; I214-L316 HydrophobicContact CD1-CB 4.11Å; I214-L316 HydrophobicContact CD1-CD2 3.7Å; I214-L320 HydrophobicContact CG2-CD1 4.16Å; I214-F446 HydrophobicContact CD1-CE2 4.23Å; I214-F446 HydrophobicContact CG2-CD2 4.24Å; I214-F446 HydrophobicContact CG2-CE2 4.17Å
215N89Confident85.6Confident9 Ų945.3 Ų45.35%0.04825%0.247CC..Iπ-helixtrans-60.9-47.6-178.7-73.3-11.4000114.4L211 R212 Y213 S445 F446L211-N215 PolarHBondContact O-N 3.31Å; R212-N215 PolarHBondContact O-N 3.44Å; Y213-N215 VanDerWaalsContact C-N 3.35Å; N215-S445 WeakPolarHBondContact OD1-CA 3.46Å; N215-S445 WeakPolarHBondContact OD1-CB 3.24Å; N215-F446 PolarHBondContact ND2-O 3.15Å; N215-F446 WeakPolarHBondContact OD1-CB 3.43Å; N215-F446 PolarHBondContact OD1-N 3.07Å; N215-F446 PolarHBondContact OD1-O 3.38Å
216N88.3Confident85.3Confident80 Ų8044.2 Ų44.243%0.42824%0.241SC..Iπ-helixtrans-91.1-19.1-167-65.3-24.3000112.9R212R212-N216 VanDerWaalsContact O-CB 3.23Å; R212-N216 WeakPolarHBondContact O-CB 3.37Å; R212-N216 VanDerWaalsContact O-CG 3.29Å; R212-N216 PolarHBondContact O-N 3.41Å; R212-N216 PolarHBondContact O-ND2 2.92Å
217T87.3Confident85.2Confident71 Ų7146.9 Ų46.944%0.43626%0.257SS..Iπ-helixtrans-124.5-59-176-51.30000111.8Y213 L219 R220 G221Y213-T217 HydrophobicContact CD2-CG2 4.31Å; Y213-T217 HydrophobicContact CE2-CG2 3.65Å; Y213-T217 WeakPolarHBondContact O-CB 3.4Å; Y213-T217 PolarHBondContact O-N 3.31Å; T217-L219 VanDerWaalsContact C-N 3.3Å; T217-L219 PolarHBondContact O-N 3.46Å; T217-R220 PolarHBondContact O-N 2.83Å; T217-G221 PolarHBondContact O-N 2.91Å
218L86.1Confident85.1Confident8 Ų849.1 Ų49.14%0.04227%0.269CS..Iπ-helixtrans-74.1-20.2-168.5-58.5-177000114.2Y213 I214 N230 L234 L320 R324Y213-L218 HydrophobicContact CD1-CD1 3.99Å; Y213-L218 HydrophobicContact CD1-CG 4.13Å; Y213-L218 HydrophobicContact CE1-CD1 3.63Å; Y213-L218 HydrophobicContact CE1-CD2 3.86Å; Y213-L218 HydrophobicContact CE1-CG 3.69Å; Y213-L218 PolarHBondContact O-N 3.17Å; I214-L218 HydrophobicContact CG1-CD1 4.29Å; I214-L218 PolarHBondContact O-N 3.32Å; L218-N230 HydrophobicContact CD2-CB 4.31Å; L218-L234 HydrophobicContact CD1-CD1 3.97Å; L218-L234 HydrophobicContact CD1-CD2 4.08Å; L218-L234 HydrophobicContact CD1-CG 4.04Å; L218-L320 HydrophobicContact CB-CD1 3.61Å; L218-L320 HydrophobicContact CB-CD2 4.36Å; L218-L320 HydrophobicContact CD1-CD1 4.22Å; L218-L320 HydrophobicContact CD1-CD2 3.67Å; L218-R324 PolarHBondContact O-NE 2.85Å; L218-R324 VanDerWaalsContact O-NE 3.09Å; L218-R324 PolarHBondContact O-NH2 3.25Å
219L85.1Confident85.1Confident24 Ų2454.4 Ų54.413%0.12630%0.298CS..THydrogen-bonded Turntrans-100.7-14.9178.3-68.5164.2000114.5I214 T217 L320 M323 R324 A444I214-L219 HydrophobicContact CG2-CD1 3.49Å; I214-L219 VanDerWaalsContact CG2-CD1 3.49Å; I214-L219 HydrophobicContact CG2-CG 3.99Å; I214-L219 WeakPolarHBondContact O-CB 3.26Å; I214-L219 WeakPolarHBondContact O-CD1 3.28Å; I214-L219 WeakPolarHBondContact O-CG 3.47Å; I214-L219 PolarHBondContact O-N 3.04Å; T217-L219 VanDerWaalsContact C-N 3.3Å; T217-L219 PolarHBondContact O-N 3.46Å; L219-L320 HydrophobicContact CD2-CD1 4.23Å; L219-L320 HydrophobicContact CG-CD1 4.37Å; L219-M323 HydrophobicContact CD1-CE 3.82Å; L219-M323 HydrophobicContact CD2-CB 3.92Å; L219-R324 HydrophobicContact CD2-CG 3.92Å; L219-A444 WeakPolarHBondContact CD1-O 3.31Å
220R75.5Confident85Confident197 Ų19754.5 Ų54.574%0.74330%0.296SS*.THydrogen-bonded Turntrans-92.2-16.7179.7-69.6-171.7-178.9-116.73.9113.7T217T217-R220 PolarHBondContact O-N 2.83Å
221G61.2Low85Confident45 Ų4554.5 Ų54.546%0.46430%0.296SS..SBendtrans-81.9171.1176.700000112.8T217T217-G221 PolarHBondContact O-N 2.91Å
222D55.2Low85.2Confident139 Ų13956.1 Ų56.174%0.74330%0.304SS*.  trans-50.2152.2164.4-67.4-31.4000109.4T224D222-T224 HydrophobicContact CB-CG2 4.06Å; D222-T224 PolarHBondContact O-N 3.22Å; D222-T224 PolarHBondContact O-OG1 3.45Å; D222-T224 VanDerWaalsContact O-OG1 3.05Å
223L59.1Low85.4Confident113 Ų11356 Ų5659%0.59231%0.306SS*.  trans-64.739.2173.5-66.2171.2000112.5R324L223-R324 HydrophobicContact CD2-CB 4.07Å; L223-R324 HydrophobicContact CD2-CG 4.21Å
224T65Low85.6Confident79 Ų7954.8 Ų54.849%0.48530%0.301SS..  trans-44.6139.2168.349.70000110.5D222 I226 R324D222-T224 HydrophobicContact CB-CG2 4.06Å; D222-T224 PolarHBondContact O-N 3.22Å; D222-T224 PolarHBondContact O-OG1 3.45Å; D222-T224 VanDerWaalsContact O-OG1 3.05Å; T224-I226 PolarHBondContact O-N 3.38Å; T224-R324 PolarHBondContact O-NH1 3.06Å
225A85.2Confident85.8Confident52 Ų5254.8 Ų54.843%0.4330%0.301SS..PPolyproline II helixtrans-52.4141175.200000110.3T227A225-T227 PolarHBondContact O-N 3.34Å
226I91.7Very high86.3Confident14 Ų1460 Ų607%0.07232%0.32CS..PPolyproline II helixtrans-65.1122.4173.3-66.2172.1000107.4T224 I231 L279 L317 L320 I321T224-I226 PolarHBondContact O-N 3.38Å; I226-I231 HydrophobicContact CG2-CD1 4.43Å; I226-I231 HydrophobicContact CG2-CG1 4.22Å; I226-L279 HydrophobicContact CB-CD1 4.3Å; I226-L279 HydrophobicContact CG2-CD1 4.2Å; I226-L317 HydrophobicContact CD1-CD1 3.98Å; I226-L317 HydrophobicContact CG2-CD1 3.91Å; I226-L320 HydrophobicContact CD1-CD2 4.25Å; I226-L320 HydrophobicContact CG1-CD2 4.34Å; I226-I321 HydrophobicContact CD1-CD1 4.07Å; I226-I321 HydrophobicContact CD1-CG1 3.57Å
227T94.8Very high86.8Confident55 Ų5559.4 Ų59.434%0.33731%0.312SS..PPolyproline II helixtrans-102.4164.5179.2700000111.9A225 D229 N230 I231A225-T227 PolarHBondContact O-N 3.34Å; T227-D229 PolarHBondContact O-N 3Å; T227-D229 PolarHBondContact OG1-N 3.27Å; T227-N230 PolarHBondContact N-OD1 2.65Å; T227-N230 WeakPolarHBondContact O-CB 3.35Å; T227-N230 PolarHBondContact O-N 3.48Å; T227-N230 VanDerWaalsContact O-N 3.14Å; T227-N230 VanDerWaalsContact OG1-CG 3.31Å; T227-N230 PolarHBondContact OG1-N 3.05Å; T227-N230 PolarHBondContact OG1-OD1 2.77Å; T227-I231 PolarHBondContact O-N 3.36Å
228L97.1Very high87.3Confident47 Ų4756 Ų5625%0.24629%0.291CS..Hα-helixtrans-56-42171.6178.857.1000111.2N230 I231 L232 M272 I276L228-N230 VanDerWaalsContact C-N 3.27Å; L228-N230 PolarHBondContact O-N 2.74Å; L228-I231 PolarHBondContact O-N 2.92Å; L228-L232 HydrophobicContact CD1-CD1 4.46Å; L228-L232 HydrophobicContact CD1-CD2 4.31Å; L228-L232 HydrophobicContact CD1-CG 4.11Å; L228-L232 HydrophobicContact CG-CD1 4.08Å; L228-L232 HydrophobicContact CG-CG 4.17Å; L228-L232 WeakPolarHBondContact O-CG 3.29Å; L228-L232 PolarHBondContact O-N 3.39Å; L228-M272 HydrophobicContact CD1-CB 4.13Å; L228-M272 HydrophobicContact CD1-CE 3.76Å; L228-M272 HydrophobicContact CD1-CG 4.49Å; L228-I276 HydrophobicContact CB-CG1 4.21Å
229D96.5Very high87.8Confident117 Ų11755.7 Ų55.763%0.62629%0.289SS*.Hα-helixtrans-60.4-35.7178.5-67.5-33.1000112.5T227 I231 L232 E233T227-D229 PolarHBondContact O-N 3Å; T227-D229 PolarHBondContact OG1-N 3.27Å; D229-I231 VanDerWaalsContact C-N 3.33Å; D229-I231 PolarHBondContact O-N 3.49Å; D229-L232 PolarHBondContact O-N 2.68Å; D229-E233 VanDerWaalsContact O-CB 3.24Å; D229-E233 WeakPolarHBondContact O-CB 3.36Å; D229-E233 PolarHBondContact O-N 3.49Å
230N95.3Very high88.2Confident25 Ų2556 Ų5613%0.13429%0.293CS..Hα-helixtrans-62.6-42.4174.2-58.3152.5000111.4L218 T227 L228 L234L218-N230 HydrophobicContact CD2-CB 4.31Å; T227-N230 PolarHBondContact N-OD1 2.65Å; T227-N230 WeakPolarHBondContact O-CB 3.35Å; T227-N230 PolarHBondContact O-N 3.48Å; T227-N230 VanDerWaalsContact O-N 3.14Å; T227-N230 VanDerWaalsContact OG1-CG 3.31Å; T227-N230 PolarHBondContact OG1-N 3.05Å; T227-N230 PolarHBondContact OG1-OD1 2.77Å; L228-N230 VanDerWaalsContact C-N 3.27Å; L228-N230 PolarHBondContact O-N 2.74Å; N230-L234 WeakPolarHBondContact O-CB 3.39Å; N230-L234 VanDerWaalsContact O-CG 3.32Å; N230-L234 WeakPolarHBondContact O-CG 3.48Å; N230-L234 PolarHBondContact O-N 2.84Å
231I98Very high89.2Confident0 Ų051.2 Ų51.20%028%0.278CS..Hα-helixtrans-67.9-43179-56.4178.1000110.4I226 T227 L228 D229 L234 H235 M272 I276 L300 F306 T313 L317I226-I231 HydrophobicContact CG2-CD1 4.43Å; I226-I231 HydrophobicContact CG2-CG1 4.22Å; T227-I231 PolarHBondContact O-N 3.36Å; L228-I231 PolarHBondContact O-N 2.92Å; D229-I231 VanDerWaalsContact C-N 3.33Å; D229-I231 PolarHBondContact O-N 3.49Å; I231-L234 PolarHBondContact O-N 2.95Å; I231-H235 WeakPolarHBondContact O-CB 3.27Å; I231-H235 PolarHBondContact O-N 2.74Å; I231-M272 HydrophobicContact CD1-CE 3.83Å; I231-M272 HydrophobicContact CG2-CE 4.29Å; I231-I276 HydrophobicContact CD1-CD1 3.79Å; I231-L300 HydrophobicContact CG2-CD1 4.3Å; I231-F306 HydrophobicContact CG2-CE2 4.21Å; I231-F306 HydrophobicContact CG2-CZ 4.01Å; I231-T313 HydrophobicContact CG2-CG2 4.13Å; I231-L317 HydrophobicContact CD1-CD2 3.91Å; I231-L317 HydrophobicContact CG1-CD1 4.43Å; I231-L317 HydrophobicContact CG1-CD2 4.19Å
232L98.4Very high90.8Very high34 Ų3451 Ų5118%0.17827%0.267CS..Hα-helixtrans-63.9-41.6177-64.5-177.1000111.7L228 D229 H235 R236 G248 L250 F306L228-L232 HydrophobicContact CD1-CD1 4.46Å; L228-L232 HydrophobicContact CD1-CD2 4.31Å; L228-L232 HydrophobicContact CD1-CG 4.11Å; L228-L232 HydrophobicContact CG-CD1 4.08Å; L228-L232 HydrophobicContact CG-CG 4.17Å; L228-L232 WeakPolarHBondContact O-CG 3.29Å; L228-L232 PolarHBondContact O-N 3.39Å; D229-L232 PolarHBondContact O-N 2.68Å; L232-H235 PolarHBondContact O-N 3.46Å; L232-R236 WeakPolarHBondContact O-CB 3.48Å; L232-R236 PolarHBondContact O-N 3.41Å; L232-G248 WeakPolarHBondContact O-CA 3.29Å; L232-L250 HydrophobicContact CD2-CD2 3.96Å; L232-L250 HydrophobicContact CD2-CG 4.27Å; L232-F306 HydrophobicContact CD2-CE1 3.68Å; L232-F306 HydrophobicContact CD2-CZ 4.08Å
233E97.7Very high92.6Very high42 Ų4247 Ų4720%0.19625%0.246CC..Hα-helixtrans-68.8-39178179.759.1-163.600112.3Y213 D229 R236 R237Y213-E233 HydrophobicContact CD1-CG 4.28Å; Y213-E233 HydrophobicContact CD2-CG 4.48Å; Y213-E233 HydrophobicContact CE1-CB 4.1Å; Y213-E233 HydrophobicContact CE1-CG 3.6Å; Y213-E233 HydrophobicContact CE2-CG 3.85Å; Y213-E233 WeakPolarHBondContact OH-CG 3.37Å; D229-E233 VanDerWaalsContact O-CB 3.24Å; D229-E233 WeakPolarHBondContact O-CB 3.36Å; D229-E233 PolarHBondContact O-N 3.49Å; E233-R236 PolarHBondContact O-N 2.91Å; E233-R236 IonicContact OE1-CZ 3.63Å; E233-R236 IonicContact OE1-NE 3.55Å; E233-R236 IonicContact OE1-NH2 3.66Å; E233-R236 PolarHBondContact OE1-NH2 2.8Å; E233-R236 IonicContact OE2-CZ 3.86Å; E233-R236 VanDerWaalsContact OE2-CZ 3.25Å; E233-R236 IonicContact OE2-NE 3.73Å; E233-R236 PolarHBondContact OE2-NE 2.91Å; E233-R236 IonicContact OE2-NH2 3.5Å; E233-R236 PolarHBondContact OE2-NH2 2.9Å; E233-R237 WeakPolarHBondContact O-CG 3.41Å; E233-R237 PolarHBondContact O-N 2.85Å; E233-R237 VanDerWaalsContact O-N 3.07Å; E233-R237 IonicContact OE1-CZ 3.89Å; E233-R237 IonicContact OE1-NE 3.64Å; E233-R237 PolarHBondContact OE1-NE 2.9Å; E233-R237 IonicContact OE1-NH2 3.05Å; E233-R237 PolarHBondContact OE1-NH2 2.93Å
234L97.6Very high94.3Very high0 Ų047.6 Ų47.60%025%0.249CC..Hα-helixtrans-57.3-49.4170.5-80.9169.1000111.1Y213 I214 L218 N230 I231 R236 R237 L238Y213-L234 HydrophobicContact CD1-CD2 3.76Å; Y213-L234 HydrophobicContact CD1-CG 4.14Å; Y213-L234 HydrophobicContact CE1-CD2 4.28Å; Y213-L234 HydrophobicContact CE1-CG 4.17Å; I214-L234 HydrophobicContact CD1-CD2 3.95Å; I214-L234 HydrophobicContact CG1-CD2 3.57Å; L218-L234 HydrophobicContact CD1-CD1 3.97Å; L218-L234 HydrophobicContact CD1-CD2 4.08Å; L218-L234 HydrophobicContact CD1-CG 4.04Å; N230-L234 WeakPolarHBondContact O-CB 3.39Å; N230-L234 VanDerWaalsContact O-CG 3.32Å; N230-L234 WeakPolarHBondContact O-CG 3.48Å; N230-L234 PolarHBondContact O-N 2.84Å; I231-L234 PolarHBondContact O-N 2.95Å; L234-R236 VanDerWaalsContact C-N 3.35Å; L234-R236 PolarHBondContact O-N 3.34Å; L234-R237 PolarHBondContact O-N 3.3Å; L234-L238 WeakPolarHBondContact O-CB 3.39Å; L234-L238 PolarHBondContact O-N 3.42Å
235H98.6Very high95.7Very high0 Ų053.5 Ų53.50%026%0.263CS..Hα-helixtrans-64.4-37.9177.8-178.3-108.6000112.3I231 L232 R237 L238 L239 E246 G248 F306 D308 T313I231-H235 WeakPolarHBondContact O-CB 3.27Å; I231-H235 PolarHBondContact O-N 2.74Å; L232-H235 PolarHBondContact O-N 3.46Å; H235-R237 VanDerWaalsContact C-N 3.33Å; H235-R237 PolarHBondContact O-N 3.21Å; H235-L238 WeakPolarHBondContact O-CB 3.45Å; H235-L238 PolarHBondContact O-N 2.9Å; H235-L239 VanDerWaalsContact CE1-CD1 3.41Å; H235-L239 WeakPolarHBondContact CE1-CD1 3.49Å; H235-L239 VanDerWaalsContact NE2-CD1 3.26Å; H235-L239 WeakPolarHBondContact NE2-CD1 3.31Å; H235-L239 PolarHBondContact O-N 3.46Å; H235-E246 PolarHBondContact CE1-O 3.12Å; H235-G248 PolarHBondContact ND1-N 3.12Å; H235-F306 HydrophobicContact CB-CD1 4.43Å; H235-F306 HydrophobicContact CB-CD2 4.36Å; H235-F306 HydrophobicContact CB-CE1 3.98Å; H235-F306 HydrophobicContact CB-CE2 3.9Å; H235-F306 HydrophobicContact CB-CZ 3.69Å; H235-F306 AromaticContact CD2-CD2 3.59Å; H235-F306 AromaticContact CD2-CG 3.62Å; H235-F306 AromaticContact CE1-CD1 3.5Å; H235-F306 VanDerWaalsContact CE1-CD1 3.5Å; H235-F306 WeakPolarHBondContact CE1-CD1 3.35Å; H235-F306 AromaticContact CE1-CG 3.55Å; H235-F306 AromaticContact CG-CD1 3.69Å; H235-F306 AromaticContact CG-CD2 3.81Å; H235-F306 AromaticContact CG-CE1 3.72Å; H235-F306 AromaticContact CG-CE2 3.85Å; H235-F306 AromaticContact CG-CG 3.74Å; H235-F306 AromaticContact CG-CZ 3.8Å; H235-F306 AromaticContact ND1-CD1 3.32Å; H235-F306 VanDerWaalsContact ND1-CD1 3.32Å; H235-F306 WeakPolarHBondContact ND1-CD1 3.26Å; H235-F306 AromaticContact ND1-CE1 3.57Å; H235-F306 AromaticContact ND1-CG 3.69Å; H235-F306 AromaticContact NE2-CD1 3.95Å; H235-F306 AromaticContact NE2-CD2 3.95Å; H235-F306 AromaticContact NE2-CG 3.52Å; H235-D308 PolarHBondContact NE2-O 3.47Å; H235-T313 HydrophobicContact CB-CG2 4.41Å; H235-T313 PolarHBondContact CD2-OG1 3.4Å
236R98.5Very high96.2Very high117 Ų11753.8 Ų53.844%0.44226%0.255SS..Hα-helixtrans-60.2-43.5177.2-168.8176.668.884.60.6111.9L232 E233 L234 S240 A247L232-R236 WeakPolarHBondContact O-CB 3.48Å; L232-R236 PolarHBondContact O-N 3.41Å; E233-R236 PolarHBondContact O-N 2.91Å; E233-R236 IonicContact OE1-CZ 3.63Å; E233-R236 IonicContact OE1-NE 3.55Å; E233-R236 IonicContact OE1-NH2 3.66Å; E233-R236 PolarHBondContact OE1-NH2 2.8Å; E233-R236 IonicContact OE2-CZ 3.86Å; E233-R236 VanDerWaalsContact OE2-CZ 3.25Å; E233-R236 IonicContact OE2-NE 3.73Å; E233-R236 PolarHBondContact OE2-NE 2.91Å; E233-R236 IonicContact OE2-NH2 3.5Å; E233-R236 PolarHBondContact OE2-NH2 2.9Å; L234-R236 VanDerWaalsContact C-N 3.35Å; L234-R236 PolarHBondContact O-N 3.34Å; R236-S240 WeakPolarHBondContact O-CA 3.13Å; R236-S240 WeakPolarHBondContact O-CB 3.49Å; R236-S240 PolarHBondContact O-N 3.27Å; R236-A247 HydrophobicContact CG-CB 4.18Å
237R98.2Very high96.5Very high69 Ų6953.3 Ų53.326%0.2625%0.253SS..Hα-helixtrans-68.5-42.3177.5-72.1172.4172.8-90.3-2.1111.6A210 Y213 E233 L234 H235 L239 S240A210-R237 HydrophobicContact CB-CB 4.16Å; Y213-R237 VanDerWaalsContact CG-CD 3.47Å; E233-R237 WeakPolarHBondContact O-CG 3.41Å; E233-R237 PolarHBondContact O-N 2.85Å; E233-R237 VanDerWaalsContact O-N 3.07Å; E233-R237 IonicContact OE1-CZ 3.89Å; E233-R237 IonicContact OE1-NE 3.64Å; E233-R237 PolarHBondContact OE1-NE 2.9Å; E233-R237 IonicContact OE1-NH2 3.05Å; E233-R237 PolarHBondContact OE1-NH2 2.93Å; L234-R237 PolarHBondContact O-N 3.3Å; H235-R237 VanDerWaalsContact C-N 3.33Å; H235-R237 PolarHBondContact O-N 3.21Å; R237-L239 VanDerWaalsContact C-N 3.34Å; R237-L239 PolarHBondContact O-N 2.87Å; R237-S240 WeakPolarHBondContact O-CB 3.43Å; R237-S240 PolarHBondContact O-N 3.17Å; R237-S240 PolarHBondContact O-OG 3.45Å
238L98Very high96.6Very high0 Ų051.3 Ų51.30%024%0.244CC..Hα-helixtrans-56.9-44.8176.8-179.370.5000112.6G206 M207 A210 L234 H235 R312 T313 L316G206-L238 WeakPolarHBondContact CA-O 3.3Å; M207-L238 HydrophobicContact CB-CD1 4.35Å; M207-L238 HydrophobicContact CE-CD1 3.78Å; M207-L238 HydrophobicContact SD-CD1 4.13Å; A210-L238 HydrophobicContact CB-CB 4.43Å; L234-L238 WeakPolarHBondContact O-CB 3.39Å; L234-L238 PolarHBondContact O-N 3.42Å; H235-L238 WeakPolarHBondContact O-CB 3.45Å; H235-L238 PolarHBondContact O-N 2.9Å; L238-R312 HydrophobicContact CD1-CB 4.01Å; L238-R312 HydrophobicContact CD2-CB 3.53Å; L238-R312 HydrophobicContact CG-CB 4.38Å; L238-T313 WeakPolarHBondContact CD2-OG1 3.48Å; L238-L316 HydrophobicContact CD1-CD1 4.26Å
239L97.5Very high96.7Very high1 Ų155.2 Ų55.21%0.00526%0.256CS..THydrogen-bonded Turntrans-93.86.1-180-68.7-168.4000114.4H235 R237 F241 V242 D243 A247H235-L239 VanDerWaalsContact CE1-CD1 3.41Å; H235-L239 WeakPolarHBondContact CE1-CD1 3.49Å; H235-L239 VanDerWaalsContact NE2-CD1 3.26Å; H235-L239 WeakPolarHBondContact NE2-CD1 3.31Å; H235-L239 PolarHBondContact O-N 3.46Å; R237-L239 VanDerWaalsContact C-N 3.34Å; R237-L239 PolarHBondContact O-N 2.87Å; L239-F241 PolarHBondContact O-N 3.47Å; L239-F241 VanDerWaalsContact O-N 3.1Å; L239-V242 HydrophobicContact CD2-CB 4.04Å; L239-V242 HydrophobicContact CD2-CG1 4.09Å; L239-V242 PolarHBondContact O-N 3.27Å; L239-D243 PolarHBondContact O-N 3.42Å; L239-A247 HydrophobicContact CB-CB 3.85Å
240S94.2Very high96.7Very high29 Ų2951.5 Ų51.520%0.20324%0.235CC..THydrogen-bonded Turntrans-58.6-29.3-171.957.50000114.5R236 R237 L244R236-S240 WeakPolarHBondContact O-CA 3.13Å; R236-S240 WeakPolarHBondContact O-CB 3.49Å; R236-S240 PolarHBondContact O-N 3.27Å; R237-S240 WeakPolarHBondContact O-CB 3.43Å; R237-S240 PolarHBondContact O-N 3.17Å; R237-S240 PolarHBondContact O-OG 3.45Å; S240-L244 VanDerWaalsContact O-CD2 3.24Å; S240-L244 WeakPolarHBondContact O-CD2 3.45Å
241F95.2Very high96.9Very high98 Ų9850.5 Ų50.543%0.4323%0.23SC..THydrogen-bonded Turntrans-103.7-1.6177.1-55.7-82.1000113.2N202 L205 L239N202-F241 HydrophobicContact CB-CB 3.61Å; N202-F241 VanDerWaalsContact CB-O 3.23Å; N202-F241 WeakPolarHBondContact CB-O 3.45Å; N202-F241 VanDerWaalsContact CG-O 3.27Å; N202-F241 PolarHBondContact ND2-O 3.1Å; L205-F241 HydrophobicContact CB-CD2 3.71Å; L205-F241 HydrophobicContact CB-CE2 3.91Å; L205-F241 HydrophobicContact CB-CG 4.15Å; L205-F241 HydrophobicContact CB-CZ 4.5Å; L239-F241 PolarHBondContact O-N 3.47Å; L239-F241 VanDerWaalsContact O-N 3.1Å
242V95Very high96.8Very high39 Ų3961.4 Ų61.424%0.23627%0.271CS..THydrogen-bonded Turntrans-106.4-60.4-173.7174.50000110.7L199 N202 E203 L239L199-V242 HydrophobicContact CD1-CB 4.4Å; L199-V242 HydrophobicContact CD1-CG1 3.67Å; L199-V242 HydrophobicContact CD1-CG2 4.28Å; N202-V242 HydrophobicContact CB-CG2 4.29Å; E203-V242 HydrophobicContact CG-CG2 3.77Å; L239-V242 HydrophobicContact CD2-CB 4.04Å; L239-V242 HydrophobicContact CD2-CG1 4.09Å; L239-V242 PolarHBondContact O-N 3.27Å
243D94.2Very high96.6Very high57 Ų5762.4 Ų62.431%0.30528%0.281SS..  trans-151.499.3179.9-172-9.3000111.5L239 R245 E246 A247L239-D243 PolarHBondContact O-N 3.42Å; D243-R245 PolarHBondContact O-N 3.22Å; D243-R245 WeakPolarHBondContact OD1-CA 3.35Å; D243-R245 VanDerWaalsContact OD1-CB 3.26Å; D243-R245 WeakPolarHBondContact OD1-CB 3.41Å; D243-R245 PolarHBondContact OD1-N 3.09Å; D243-E246 PolarHBondContact O-N 3.11Å; D243-A247 VanDerWaalsContact O-CB 3.26Å; D243-A247 WeakPolarHBondContact O-CB 3.45Å; D243-A247 PolarHBondContact O-N 3.45Å
244L92.8Very high96.5Very high125 Ų12563.4 Ų63.465%0.65429%0.285SS*.THydrogen-bonded Turntrans-67.5-17.1178.2-69.9173.9000114.1S240 R249S240-L244 VanDerWaalsContact O-CD2 3.24Å; S240-L244 WeakPolarHBondContact O-CD2 3.45Å; L244-R249 PolarHBondContact O-NH1 3.01Å
245R95.4Very high96.3Very high203 Ų20364.1 Ų64.177%0.76629%0.29SS*.THydrogen-bonded Turntrans-75.3-40.6179-60.2179.7175.8-153.3-0.7110.5D243 R249D243-R245 PolarHBondContact O-N 3.22Å; D243-R245 WeakPolarHBondContact OD1-CA 3.35Å; D243-R245 VanDerWaalsContact OD1-CB 3.26Å; D243-R245 WeakPolarHBondContact OD1-CB 3.41Å; D243-R245 PolarHBondContact OD1-N 3.09Å; R245-R249 WeakPolarHBondContact O-CD 3.46Å; R245-R249 PolarHBondContact O-NH1 2.89Å
246E95.6Very high95.9Very high57 Ų5771.6 Ų71.627%0.26632%0.323SS..THydrogen-bonded Turntrans-93.8-18179.2-60.3-55.6131.700113.3H235 D243 G248 R249 Y307H235-E246 PolarHBondContact CE1-O 3.12Å; D243-E246 PolarHBondContact O-N 3.11Å; E246-G248 PolarHBondContact O-N 3.33Å; E246-R249 PolarHBondContact O-N 2.83Å; E246-R249 VanDerWaalsContact O-N 3.14Å; E246-Y307 HydrophobicContact CG-CD1 4.27Å; E246-Y307 HydrophobicContact CG-CG 4.37Å
247A97.4Very high95.2Very high4 Ų468.9 Ų68.93%0.03332%0.316CS..THydrogen-bonded Turntrans-52.3121.9178.200000112.9R236 L239 D243 R249R236-A247 HydrophobicContact CG-CB 4.18Å; L239-A247 HydrophobicContact CB-CB 3.85Å; D243-A247 VanDerWaalsContact O-CB 3.26Å; D243-A247 WeakPolarHBondContact O-CB 3.45Å; D243-A247 PolarHBondContact O-N 3.45Å; A247-R249 VanDerWaalsContact C-N 3.27Å; A247-R249 PolarHBondContact O-N 2.92Å
248G98Very high94.2Very high14 Ų1470 Ų7014%0.14434%0.34CS..THydrogen-bonded Turntrans66.519177.500000115.7L232 H235 E246L232-G248 WeakPolarHBondContact O-CA 3.29Å; H235-G248 PolarHBondContact ND1-N 3.12Å; E246-G248 PolarHBondContact O-N 3.33Å
249R97.8Very high93.2Very high129 Ų12974.5 Ų74.549%0.48736%0.364SS..  trans-120.9136.9179.5-63.1-174.3-179.186.26.7111.2L244 R245 E246 A247 F306L244-R249 PolarHBondContact O-NH1 3.01Å; R245-R249 WeakPolarHBondContact O-CD 3.46Å; R245-R249 PolarHBondContact O-NH1 2.89Å; E246-R249 PolarHBondContact O-N 2.83Å; E246-R249 VanDerWaalsContact O-N 3.14Å; A247-R249 VanDerWaalsContact C-N 3.27Å; A247-R249 PolarHBondContact O-N 2.92Å; R249-F306 WeakPolarHBondContact O-CD1 3.11Å
250L98.4Very high92.7Very high38 Ų3876 Ų7620%0.19937%0.371CS..  trans-62.8139169.2-57.8178.6000109.6L232 V268 P269 M272 P305 F306L232-L250 HydrophobicContact CD2-CD2 3.96Å; L232-L250 HydrophobicContact CD2-CG 4.27Å; L250-V268 HydrophobicContact CB-CG1 4.34Å; L250-V268 HydrophobicContact CD1-CG1 4.32Å; L250-V268 HydrophobicContact CD2-CG1 4.08Å; L250-V268 HydrophobicContact CG-CG1 4.48Å; L250-P269 HydrophobicContact CD1-CB 4.39Å; L250-P269 HydrophobicContact CD1-CG 4.17Å; L250-M272 HydrophobicContact CD2-CG 4.17Å; L250-P305 WeakPolarHBondContact CA-O 3.47Å; L250-P305 HydrophobicContact CD2-CB 3.75Å; L250-F306 HydrophobicContact CD2-CE1 4.15Å
251R97.7Very high92.5Very high4 Ų480.6 Ų80.62%0.01539%0.389CS..  trans-63.7146.1-179.668.1-179.516883.33.8111.3S253 P263 I303 H304 P305R251-S253 WeakPolarHBondContact CD-O 3.46Å; R251-S253 PolarHBondContact NH1-O 2.91Å; R251-P263 PolarHBondContact NH1-O 3.3Å; R251-P263 PolarHBondContact NH2-O 3.31Å; R251-I303 PolarHBondContact NH2-O 3.09Å; R251-H304 PolarHBondContact NE-O 3.13Å; R251-H304 PolarHBondContact NH2-O 3.44Å; R251-P305 WeakPolarHBondContact CG-O 3.29Å; R251-P305 PolarHBondContact N-O 2.73Å
252R96.2Very high92.4Very high229 Ų22976.1 Ų76.186%0.86437%0.37SS*.SBendtrans-108.6-6.5176.5-62.1179.5178.1-176.6-2.7113.2
253S95Very high92.4Very high55 Ų5575.2 Ų75.239%0.38537%0.365SS..SBendtrans-114.2159.7179.252.30000110.8R251R251-S253 WeakPolarHBondContact CD-O 3.46Å; R251-S253 PolarHBondContact NH1-O 2.91Å
254Q96.1Very high92.6Very high63 Ų6375.5 Ų75.529%0.29437%0.37SS..  trans-73.2140171.3-173.459.536.300109.8F256 P262 P263Q254-F256 HydrophobicContact CB-CE2 4.43Å; Q254-F256 HydrophobicContact CG-CE1 4.2Å; Q254-F256 HydrophobicContact CG-CE2 3.84Å; Q254-F256 HydrophobicContact CG-CZ 3.66Å; Q254-P262 PolarHBondContact NE2-O 3.33Å; Q254-P263 PolarHBondContact OE1-O 2.75Å
255V93.1Very high92.8Very high16 Ų1671 Ų7110%0.09735%0.348CS..  trans-119.8155.3172.5-64.30000109.5P262 Y307V255-P262 HydrophobicContact CG2-CB 4.29Å; V255-P262 HydrophobicContact CG2-CG 4.05Å; V255-Y307 HydrophobicContact CG1-CD2 4.18Å
256F89.1Confident92.9Very high157 Ų15765.8 Ų65.869%0.68934%0.343SS*.  trans-132127.9-179.1-61.8-85000108.8Q254Q254-F256 HydrophobicContact CB-CE2 4.43Å; Q254-F256 HydrophobicContact CG-CE1 4.2Å; Q254-F256 HydrophobicContact CG-CE2 3.84Å; Q254-F256 HydrophobicContact CG-CZ 3.66Å
257I83.7Confident93Very high59 Ų5965.2 Ų65.230%0.30335%0.345SS..BIsolated β-bridgetrans-129.996-173.4-49.6145.4000108.5D259 H260 P262 H304I257-D259 PolarHBondContact O-N 3.41Å; I257-H260 PolarHBondContact N-O 3.03Å; I257-H260 PolarHBondContact O-N 3.25Å; I257-P262 HydrophobicContact CD1-CG 3.3Å; I257-P262 HydrophobicContact CG1-CG 4.24Å; I257-H304 HydrophobicContact CD1-CB 4.14Å; I257-H304 VanDerWaalsContact CD1-CD2 3.48Å; I257-H304 WeakPolarHBondContact CD1-CD2 3.48Å; I257-H304 WeakPolarHBondContact CD1-CE1 3.38Å; I257-H304 WeakPolarHBondContact CD1-ND1 3.44Å; I257-H304 VanDerWaalsContact CD1-NE2 3.32Å; I257-H304 WeakPolarHBondContact CD1-NE2 3.49Å
258A78.5Confident93Very high92 Ų9265 Ų6576%0.7634%0.343SS*.THydrogen-bonded Turntrans42-107.9175.900000112.8
259D76.9Confident93.1Very high95 Ų9567.1 Ų67.151%0.50835%0.354SS..THydrogen-bonded Turntrans-87.7-9.2-175.1-67.2-5.5000114.5I257 K345I257-D259 PolarHBondContact O-N 3.41Å; D259-K345 WeakPolarHBondContact OD2-CE 3.45Å; D259-K345 IonicContact OD2-NZ 3.98Å; D259-K345 PolarHBondContact OD2-NZ 2.67Å
260H85.9Confident93.1Very high34 Ų3466 Ų6616%0.15736%0.358CS..BIsolated β-bridgetrans-108.6134.8179.6-17747.4000111.1I257 P262 F302I257-H260 PolarHBondContact N-O 3.03Å; I257-H260 PolarHBondContact O-N 3.25Å; H260-P262 VanDerWaalsContact O-CD 3.3Å; H260-P262 WeakPolarHBondContact O-CD 3.27Å; H260-F302 AromaticContact CE1-CD2 3.54Å; H260-F302 AromaticContact CE1-CE2 3.51Å; H260-F302 AromaticContact NE2-CD2 3.88Å; H260-F302 PolarHBondContact NE2-O 3.19Å
261Q90.1Very high93.1Very high125 Ų12565.6 Ų65.658%0.58436%0.356SS*.  trans-106.7100.2169.7-175.2178.4-4.500108.4
262P93.7Very high93.1Very high3 Ų365.4 Ų65.42%0.01936%0.356CS..PPolyproline II helixtrans-58.5155.5176.6-29.337.8000113.2Q254 V255 I257 H260 H304Q254-P262 PolarHBondContact NE2-O 3.33Å; V255-P262 HydrophobicContact CG2-CB 4.29Å; V255-P262 HydrophobicContact CG2-CG 4.05Å; I257-P262 HydrophobicContact CD1-CG 3.3Å; I257-P262 HydrophobicContact CG1-CG 4.24Å; H260-P262 VanDerWaalsContact O-CD 3.3Å; H260-P262 WeakPolarHBondContact O-CD 3.27Å; P262-H304 HydrophobicContact CB-CB 3.77Å; P262-H304 HydrophobicContact CG-CB 3.7Å
263P95.5Very high93.2Very high21 Ų2158 Ų5814%0.13634%0.338CS..PPolyproline II helixtrans-50.9156.6173.8-27.335.2000113.6R251 Q254 L271R251-P263 PolarHBondContact NH1-O 3.3Å; R251-P263 PolarHBondContact NH2-O 3.31Å; Q254-P263 PolarHBondContact OE1-O 2.75Å; P263-L271 HydrophobicContact CB-CD1 3.54Å; P263-L271 HydrophobicContact CG-CD1 3.51Å
264P97.1Very high93.4Very high63 Ų6359.5 Ų59.541%0.40934%0.339SS..PPolyproline II helixtrans-60146.5173.526.3-33.9000111.4S266 S267P264-S266 PolarHBondContact O-N 3.44Å; P264-S266 VanDerWaalsContact O-N 3.12Å; P264-S267 PolarHBondContact O-N 3.39Å
265P97.2Very high93.5Very high31 Ų3156.5 Ų56.520%0.20133%0.326CS..G310 helixtrans-58.1-29.1-177.523.5-34.1000113.2S267 V268P265-S267 VanDerWaalsContact C-N 3.25Å; P265-S267 PolarHBondContact O-N 3.01Å; P265-V268 PolarHBondContact O-N 3.18Å
266S97.6Very high93.7Very high93 Ų9357.1 Ų57.165%0.6533%0.328SS*.G310 helixtrans-63.6-27.3176.353.90000113.8P264P264-S266 PolarHBondContact O-N 3.44Å; P264-S266 VanDerWaalsContact O-N 3.12Å
267S98Very high94Very high44 Ų4451.6 Ų51.631%0.30832%0.315SS..G310 helixtrans-91.9-11.5179.8-59.10000113.1P264 P265 D270 L271P264-S267 PolarHBondContact O-N 3.39Å; P265-S267 VanDerWaalsContact C-N 3.25Å; P265-S267 PolarHBondContact O-N 3.01Å; S267-D270 PolarHBondContact O-N 3.48Å; S267-L271 WeakPolarHBondContact O-CB 3.47Å; S267-L271 VanDerWaalsContact O-CG 3.31Å; S267-L271 WeakPolarHBondContact O-CG 3.48Å; S267-L271 PolarHBondContact O-N 2.87Å
268V98.3Very high94.5Very high0 Ų050.2 Ų50.20%031%0.306CS..Hα-helixtrans-59.6-44.4-177.2172.90000112.6L250 P265 D270 L271 M272 I303 P305L250-V268 HydrophobicContact CB-CG1 4.34Å; L250-V268 HydrophobicContact CD1-CG1 4.32Å; L250-V268 HydrophobicContact CD2-CG1 4.08Å; L250-V268 HydrophobicContact CG-CG1 4.48Å; P265-V268 PolarHBondContact O-N 3.18Å; V268-D270 VanDerWaalsContact C-N 3.33Å; V268-D270 PolarHBondContact O-N 2.68Å; V268-L271 PolarHBondContact O-N 2.96Å; V268-M272 HydrophobicContact CG1-CG 4.13Å; V268-M272 WeakPolarHBondContact O-CB 3.44Å; V268-M272 VanDerWaalsContact O-CG 3.27Å; V268-M272 WeakPolarHBondContact O-CG 3.47Å; V268-M272 PolarHBondContact O-N 3.4Å; V268-I303 HydrophobicContact CG1-CG2 4.37Å; V268-P305 HydrophobicContact CG1-CB 3.7Å
269P98.4Very high95.2Very high58 Ų5846.4 Ų46.438%0.37727%0.273SS..Hα-helixtrans-58.9-42178-25.836.1000113.5L250 M272 S273L250-P269 HydrophobicContact CD1-CB 4.39Å; L250-P269 HydrophobicContact CD1-CG 4.17Å; P269-M272 PolarHBondContact O-N 3.15Å; P269-S273 WeakPolarHBondContact O-CB 3.33Å; P269-S273 PolarHBondContact O-N 3.1Å; P269-S273 PolarHBondContact O-OG 3.5Å
270D98.3Very high95.9Very high105 Ų10545.3 Ų45.356%0.56127%0.273SS*.Hα-helixtrans-68.6-46.5179.7-62.8-25.7000110.6S267 V268 M272 S273 E274S267-D270 PolarHBondContact O-N 3.48Å; V268-D270 VanDerWaalsContact C-N 3.33Å; V268-D270 PolarHBondContact O-N 2.68Å; D270-M272 VanDerWaalsContact C-N 3.31Å; D270-M272 PolarHBondContact O-N 2.98Å; D270-S273 CarbonylContact O-C 3.46Å; D270-S273 WeakPolarHBondContact O-CA 3.25Å; D270-S273 WeakPolarHBondContact O-CB 3.49Å; D270-S273 PolarHBondContact O-N 3.04Å; D270-E274 WeakPolarHBondContact O-CG 3.1Å; D270-E274 PolarHBondContact O-N 3.37Å
271L98.5Very high96.2Very high31 Ų3145.2 Ų45.216%0.16228%0.276CS..Hα-helixtrans-62.4-36.7177-70.4171.1000112.9P263 S267 V268 E274 L275 I303P263-L271 HydrophobicContact CB-CD1 3.54Å; P263-L271 HydrophobicContact CG-CD1 3.51Å; S267-L271 WeakPolarHBondContact O-CB 3.47Å; S267-L271 VanDerWaalsContact O-CG 3.31Å; S267-L271 WeakPolarHBondContact O-CG 3.48Å; S267-L271 PolarHBondContact O-N 2.87Å; V268-L271 PolarHBondContact O-N 2.96Å; L271-E274 PolarHBondContact O-N 3.07Å; L271-L275 WeakPolarHBondContact O-CB 3.36Å; L271-L275 PolarHBondContact O-N 3.5Å; L271-I303 HydrophobicContact CB-CD1 4.11Å; L271-I303 HydrophobicContact CB-CG1 4.1Å; L271-I303 HydrophobicContact CB-CG2 4.09Å; L271-I303 HydrophobicContact CD1-CG2 4.49Å
272M98.6Very high96.1Very high0 Ų046.3 Ų46.30%029%0.286CS..Hα-helixtrans-67.4-38.9172.9-73.5-57.4-60.400111.1L228 I231 L250 V268 P269 D270 E274 L275 I276 L300 I303 P305L228-M272 HydrophobicContact CD1-CB 4.13Å; L228-M272 HydrophobicContact CD1-CE 3.76Å; L228-M272 HydrophobicContact CD1-CG 4.49Å; I231-M272 HydrophobicContact CD1-CE 3.83Å; I231-M272 HydrophobicContact CG2-CE 4.29Å; L250-M272 HydrophobicContact CD2-CG 4.17Å; V268-M272 HydrophobicContact CG1-CG 4.13Å; V268-M272 WeakPolarHBondContact O-CB 3.44Å; V268-M272 VanDerWaalsContact O-CG 3.27Å; V268-M272 WeakPolarHBondContact O-CG 3.47Å; V268-M272 PolarHBondContact O-N 3.4Å; P269-M272 PolarHBondContact O-N 3.15Å; D270-M272 VanDerWaalsContact C-N 3.31Å; D270-M272 PolarHBondContact O-N 2.98Å; M272-E274 VanDerWaalsContact C-N 3.34Å; M272-L275 HydrophobicContact CE-CD2 4.24Å; M272-L275 PolarHBondContact O-N 3.21Å; M272-L275 HydrophobicContact SD-CD2 4.31Å; M272-I276 WeakPolarHBondContact O-CG1 3.28Å; M272-I276 PolarHBondContact O-N 3.46Å; M272-L300 HydrophobicContact CE-CD1 3.76Å; M272-L300 HydrophobicContact SD-CD1 3.89Å; M272-I303 HydrophobicContact CG-CG2 4.34Å; M272-I303 HydrophobicContact SD-CD1 4.24Å; M272-I303 HydrophobicContact SD-CG2 4Å; M272-P305 HydrophobicContact CE-CG 4.48Å; M272-P305 HydrophobicContact CG-CB 4.02Å; M272-P305 HydrophobicContact SD-CB 3.72Å; M272-P305 HydrophobicContact SD-CG 3.77Å
273S98.1Very high95.7Very high72 Ų7251 Ų5150%0.50331%0.307SS..Hα-helixtrans-64.1-40.1174.9-57.30000111.5P269 D270 I276 G277P269-S273 WeakPolarHBondContact O-CB 3.33Å; P269-S273 PolarHBondContact O-N 3.1Å; P269-S273 PolarHBondContact O-OG 3.5Å; D270-S273 CarbonylContact O-C 3.46Å; D270-S273 WeakPolarHBondContact O-CA 3.25Å; D270-S273 WeakPolarHBondContact O-CB 3.49Å; D270-S273 PolarHBondContact O-N 3.04Å; S273-I276 PolarHBondContact O-N 3.24Å; S273-G277 PolarHBondContact O-N 3.03Å
274E98Very high95.4Very high87 Ų8751.6 Ų51.641%0.40731%0.309SS..Hα-helixtrans-62.6-42.8172.4-71.9175.9-157.500112.2D270 L271 M272 I276 G277 W278D270-E274 WeakPolarHBondContact O-CG 3.1Å; D270-E274 PolarHBondContact O-N 3.37Å; L271-E274 PolarHBondContact O-N 3.07Å; M272-E274 VanDerWaalsContact C-N 3.34Å; E274-I276 VanDerWaalsContact C-N 3.34Å; E274-I276 PolarHBondContact O-N 3.35Å; E274-G277 PolarHBondContact O-N 2.99Å; E274-W278 WeakPolarHBondContact O-CB 3.26Å; E274-W278 PolarHBondContact O-N 3.33Å
275L98Very high94.7Very high1 Ų151.2 Ų51.21%0.00531%0.311CS..Hα-helixtrans-59.9-44.7175.7176.762.1000111.4L271 M272 W278 L279 K299 L300 I303L271-L275 WeakPolarHBondContact O-CB 3.36Å; L271-L275 PolarHBondContact O-N 3.5Å; M272-L275 HydrophobicContact CE-CD2 4.24Å; M272-L275 PolarHBondContact O-N 3.21Å; M272-L275 HydrophobicContact SD-CD2 4.31Å; L275-W278 HydrophobicContact CD1-CE3 3.87Å; L275-W278 HydrophobicContact CD1-CZ3 4.15Å; L275-W278 PolarHBondContact O-N 3.41Å; L275-L279 HydrophobicContact CG-CD1 4.4Å; L275-L279 WeakPolarHBondContact O-CB 3.5Å; L275-L279 WeakPolarHBondContact O-CG 3.5Å; L275-L279 PolarHBondContact O-N 2.86Å; L275-K299 HydrophobicContact CD1-CB 3.81Å; L275-K299 HydrophobicContact CD1-CD 3.84Å; L275-K299 HydrophobicContact CD1-CG 4.47Å; L275-L300 HydrophobicContact CD2-CB 4.45Å; L275-L300 HydrophobicContact CD2-CD1 3.92Å; L275-I303 HydrophobicContact CB-CD1 4.12Å; L275-I303 HydrophobicContact CD2-CD1 4.17Å
276I97.4Very high94Very high29 Ų2955.7 Ų55.715%0.14933%0.333CS..Hα-helixtrans-66.4-40.6176.6-63-52.8000111.4L228 I231 M272 S273 E274 L279 S280L228-I276 HydrophobicContact CB-CG1 4.21Å; I231-I276 HydrophobicContact CD1-CD1 3.79Å; M272-I276 WeakPolarHBondContact O-CG1 3.28Å; M272-I276 PolarHBondContact O-N 3.46Å; S273-I276 PolarHBondContact O-N 3.24Å; E274-I276 VanDerWaalsContact C-N 3.34Å; E274-I276 PolarHBondContact O-N 3.35Å; I276-L279 HydrophobicContact CD1-CD1 4.34Å; I276-L279 PolarHBondContact O-N 2.83Å; I276-S280 WeakPolarHBondContact O-CB 3.24Å; I276-S280 PolarHBondContact O-N 3.35Å; I276-S280 VanDerWaalsContact O-N 3.09Å; I276-S280 PolarHBondContact O-OG 3.28Å
277G95.7Very high93.8Very high40 Ų4052.5 Ų52.541%0.41231%0.308SS..Hα-helixtrans-59.9-45174.900000112.1S273 E274 S280 S281S273-G277 PolarHBondContact O-N 3.03Å; E274-G277 PolarHBondContact O-N 2.99Å; G277-S280 CarbonylContact O-C 3.37Å; G277-S280 PolarHBondContact O-N 3.39Å; G277-S280 VanDerWaalsContact O-N 3.12Å; G277-S281 PolarHBondContact O-N 2.9Å; G277-S281 VanDerWaalsContact O-N 3.1Å
278W95.1Very high93.6Very high30 Ų3050.5 Ų50.511%0.11429%0.294CS..Hα-helixtrans-62.7-44.8174.7171.973.9000112.3E274 L275 S280 S281 I284 M287 L292 L295 T296 K299E274-W278 WeakPolarHBondContact O-CB 3.26Å; E274-W278 PolarHBondContact O-N 3.33Å; L275-W278 HydrophobicContact CD1-CE3 3.87Å; L275-W278 HydrophobicContact CD1-CZ3 4.15Å; L275-W278 PolarHBondContact O-N 3.41Å; W278-S280 PolarHBondContact O-N 2.99Å; W278-S280 VanDerWaalsContact O-N 3.1Å; W278-S281 WeakPolarHBondContact O-CB 3.3Å; W278-S281 PolarHBondContact O-N 3.29Å; W278-S281 PolarHBondContact O-OG 3.29Å; W278-I284 HydrophobicContact CD2-CG2 4.26Å; W278-I284 HydrophobicContact CH2-CG2 4.49Å; W278-I284 HydrophobicContact CZ2-CG2 3.95Å; W278-I284 WeakPolarHBondContact O-CG2 3.49Å; W278-M287 HydrophobicContact CZ2-CE 4.21Å; W278-M287 HydrophobicContact CZ2-SD 4.09Å; W278-L292 HydrophobicContact CH2-CD1 3.62Å; W278-L292 HydrophobicContact CZ2-CD1 4.12Å; W278-L292 HydrophobicContact CZ3-CD1 4.12Å; W278-L295 HydrophobicContact CH2-CB 3.81Å; W278-L295 HydrophobicContact CZ2-CB 4.22Å; W278-L295 HydrophobicContact CZ2-CD1 4.33Å; W278-T296 WeakPolarHBondContact CZ3-OG1 3.38Å; W278-K299 HydrophobicContact CD2-CD 4.29Å; W278-K299 HydrophobicContact CE3-CD 3.92Å; W278-K299 HydrophobicContact CH2-CD 4.23Å; W278-K299 HydrophobicContact CZ3-CD 3.88Å
279L93.6Very high93.4Very high13 Ų1351.3 Ų51.37%0.06830%0.3CS..Hα-helixtrans-62.2-14.7174.2-76.8174.1000113.9I226 L275 I276 I284 L292 T296 I321I226-L279 HydrophobicContact CB-CD1 4.3Å; I226-L279 HydrophobicContact CG2-CD1 4.2Å; L275-L279 HydrophobicContact CG-CD1 4.4Å; L275-L279 WeakPolarHBondContact O-CB 3.5Å; L275-L279 WeakPolarHBondContact O-CG 3.5Å; L275-L279 PolarHBondContact O-N 2.86Å; I276-L279 HydrophobicContact CD1-CD1 4.34Å; I276-L279 PolarHBondContact O-N 2.83Å; L279-I284 WeakPolarHBondContact O-CD1 3.45Å; L279-L292 HydrophobicContact CD2-CD1 4.02Å; L279-T296 HydrophobicContact CD1-CG2 4.23Å; L279-T296 HydrophobicContact CD2-CG2 4.22Å; L279-T296 WeakPolarHBondContact CD2-OG1 3.26Å; L279-I321 HydrophobicContact CD2-CD1 4.39Å
280S91.2Very high93.3Very high72 Ų7248.6 Ų48.650%0.50328%0.282SS..THydrogen-bonded Turntrans-1104.7178.4-50.10000112.7I276 G277 W278I276-S280 WeakPolarHBondContact O-CB 3.24Å; I276-S280 PolarHBondContact O-N 3.35Å; I276-S280 VanDerWaalsContact O-N 3.09Å; I276-S280 PolarHBondContact O-OG 3.28Å; G277-S280 CarbonylContact O-C 3.37Å; G277-S280 PolarHBondContact O-N 3.39Å; G277-S280 VanDerWaalsContact O-N 3.12Å; W278-S280 PolarHBondContact O-N 2.99Å; W278-S280 VanDerWaalsContact O-N 3.1Å
281S91.1Very high93.2Very high32 Ų3243.9 Ų43.922%0.22426%0.257CS..SBendtrans-87.5161.7-176.972.70000112.3G277 W278 E283 I284G277-S281 PolarHBondContact O-N 2.9Å; G277-S281 VanDerWaalsContact O-N 3.1Å; W278-S281 WeakPolarHBondContact O-CB 3.3Å; W278-S281 PolarHBondContact O-N 3.29Å; W278-S281 PolarHBondContact O-OG 3.29Å; S281-E283 PolarHBondContact O-N 3.07Å; S281-E283 WeakPolarHBondContact OG-CB 3.44Å; S281-E283 PolarHBondContact OG-N 3.35Å; S281-I284 WeakPolarHBondContact O-CG1 3.49Å
282D88.4Confident93.1Very high148 Ų14843.4 Ų43.479%0.79125%0.254SS*.G310 helixtrans-68-17.2174-65.4-36.6000112.6I284 A285D282-I284 PolarHBondContact O-N 3.48Å; D282-A285 VanDerWaalsContact O-CB 3.27Å; D282-A285 WeakPolarHBondContact O-CB 3.44Å; D282-A285 PolarHBondContact O-N 3Å; D282-A285 VanDerWaalsContact O-N 3.09Å
283E86Confident93.1Very high100 Ų10043.4 Ų43.447%0.46725%0.254SS..G310 helixtrans-59.9-33.6179.7-61.8-179.8-169.900112.4S281 A285 M287S281-E283 PolarHBondContact O-N 3.07Å; S281-E283 WeakPolarHBondContact OG-CB 3.44Å; S281-E283 PolarHBondContact OG-N 3.35Å; E283-A285 VanDerWaalsContact C-N 3.29Å; E283-A285 PolarHBondContact O-N 3.24Å; E283-M287 HydrophobicContact CB-CE 4.41Å; E283-M287 WeakPolarHBondContact O-CE 3.35Å
284I88.3Confident93.1Very high35 Ų3540 Ų4018%0.17923%0.23CC..G310 helixtrans-79.4-13.3-178.665.5147.9000112.8W278 L279 S281 D282 D286 M287 L292W278-I284 HydrophobicContact CD2-CG2 4.26Å; W278-I284 HydrophobicContact CH2-CG2 4.49Å; W278-I284 HydrophobicContact CZ2-CG2 3.95Å; W278-I284 WeakPolarHBondContact O-CG2 3.49Å; L279-I284 WeakPolarHBondContact O-CD1 3.45Å; S281-I284 WeakPolarHBondContact O-CG1 3.49Å; D282-I284 PolarHBondContact O-N 3.48Å; I284-D286 VanDerWaalsContact C-N 3.29Å; I284-D286 PolarHBondContact O-N 3.13Å; I284-M287 HydrophobicContact CG2-SD 4.33Å; I284-M287 PolarHBondContact O-N 3.29Å; I284-L292 HydrophobicContact CB-CD1 3.9Å; I284-L292 HydrophobicContact CB-CD2 4.43Å; I284-L292 HydrophobicContact CD1-CD1 4.46Å; I284-L292 HydrophobicContact CD1-CD2 4.12Å; I284-L292 HydrophobicContact CG2-CD1 3.61Å
285A83Confident93.1Very high54 Ų5436.4 Ų36.445%0.44621%0.213SC..G310 helixtrans-67.7-29.9-17400000113.1D282 E283D282-A285 VanDerWaalsContact O-CB 3.27Å; D282-A285 WeakPolarHBondContact O-CB 3.44Å; D282-A285 PolarHBondContact O-N 3Å; D282-A285 VanDerWaalsContact O-N 3.09Å; E283-A285 VanDerWaalsContact C-N 3.29Å; E283-A285 PolarHBondContact O-N 3.24Å
286D83.2Confident93.1Very high125 Ų12536.3 Ų36.367%0.66821%0.213SC*.G310 helixtrans-95.5-5.7178.7-68.5-30000112.9I284I284-D286 VanDerWaalsContact C-N 3.29Å; I284-D286 PolarHBondContact O-N 3.13Å
287M91.7Very high93.1Very high26 Ų2635 Ų3513%0.12821%0.206CC..SBendtrans-77.6145-179.3-66.7-173.1-16800111.8W278 E283 I284 L295 P426W278-M287 HydrophobicContact CZ2-CE 4.21Å; W278-M287 HydrophobicContact CZ2-SD 4.09Å; E283-M287 HydrophobicContact CB-CE 4.41Å; E283-M287 WeakPolarHBondContact O-CE 3.35Å; I284-M287 HydrophobicContact CG2-SD 4.33Å; I284-M287 PolarHBondContact O-N 3.29Å; M287-L295 HydrophobicContact SD-CD1 4.11Å; M287-P426 HydrophobicContact CE-CG 4.47Å; M287-P426 HydrophobicContact CG-CB 4.27Å; M287-P426 HydrophobicContact CG-CG 4.22Å
288H94Very high93.3Very high2 Ų233.4 Ų33.41%0.00919%0.188CC..  trans-65.6140.5169.4-169.2-76.8000110.2L135 D139 I290 E291 L292 R429L135-H288 HydrophobicContact CD1-CB 3.9Å; D139-H288 IonicContact OD1-CE1 2.79Å; D139-H288 IonicContact OD1-NE2 3.69Å; D139-H288 PolarHBondContact OD1-NE2 2.84Å; D139-H288 IonicContact OD2-NE2 3.63Å; H288-I290 WeakPolarHBondContact ND1-CB 3.47Å; H288-I290 PolarHBondContact ND1-N 3.3Å; H288-I290 VanDerWaalsContact ND1-N 3.11Å; H288-I290 PolarHBondContact O-N 3.43Å; H288-I290 VanDerWaalsContact O-N 3.12Å; H288-E291 HydrophobicContact CB-CB 4.26Å; H288-E291 HydrophobicContact CB-CG 3.88Å; H288-E291 WeakPolarHBondContact CB-OE2 3.39Å; H288-E291 PolarHBondContact N-OE2 3.13Å; H288-E291 WeakPolarHBondContact O-CA 3.48Å; H288-E291 WeakPolarHBondContact O-CB 3.43Å; H288-E291 PolarHBondContact O-N 3.38Å; H288-L292 PolarHBondContact O-N 3.32Å; H288-R429 PolarHBondContact CD2-NH2 2.96Å
289P94.9Very high93.4Very high18 Ų1832.7 Ų32.712%0.11719%0.186CC..Hα-helixtrans-51.9-38.9179-33.137.6000115.4L292 A293 S325 L327P289-L292 PolarHBondContact O-N 2.75Å; P289-A293 VanDerWaalsContact O-CB 3.25Å; P289-A293 WeakPolarHBondContact O-CB 3.48Å; P289-A293 PolarHBondContact O-N 3.04Å; P289-S325 VanDerWaalsContact CB-CB 3.48Å; P289-L327 HydrophobicContact CB-CD1 3.59Å; P289-L327 HydrophobicContact CG-CD1 4.07Å
290I96.2Very high93.6Very high0 Ų032.1 Ų32.10%018%0.182CC..Hα-helixtrans-63.6-42173.9-63.6175000112.3L135 I138 H288 A293 A294 L322 L327 I359 A360 T363L135-I290 HydrophobicContact CD2-CB 4.29Å; L135-I290 HydrophobicContact CD2-CD1 4.24Å; L135-I290 HydrophobicContact CD2-CG2 4.47Å; I138-I290 HydrophobicContact CB-CD1 4.44Å; I138-I290 HydrophobicContact CD1-CD1 3.68Å; I138-I290 HydrophobicContact CG2-CD1 3.85Å; H288-I290 WeakPolarHBondContact ND1-CB 3.47Å; H288-I290 PolarHBondContact ND1-N 3.3Å; H288-I290 VanDerWaalsContact ND1-N 3.11Å; H288-I290 PolarHBondContact O-N 3.43Å; H288-I290 VanDerWaalsContact O-N 3.12Å; I290-A293 PolarHBondContact O-N 3.04Å; I290-A294 VanDerWaalsContact O-CB 3.28Å; I290-A294 WeakPolarHBondContact O-CB 3.44Å; I290-A294 PolarHBondContact O-N 3.38Å; I290-L322 HydrophobicContact CB-CD2 4.44Å; I290-L322 HydrophobicContact CG1-CD2 3.84Å; I290-L327 HydrophobicContact CD1-CD2 3.78Å; I290-L327 HydrophobicContact CG1-CD2 3.76Å; I290-I359 HydrophobicContact CG2-CG2 4.23Å; I290-A360 HydrophobicContact CD1-CB 4.42Å; I290-A360 HydrophobicContact CG2-CB 3.78Å; I290-T363 HydrophobicContact CD1-CG2 4.2Å
291E96.7Very high93.9Very high7 Ų729.7 Ų29.73%0.03316%0.164CC..Hα-helixtrans-63.4-48.3175.7-66.3170.7158.600110L135 H288 A293 A294 L295 I356 Y424 P427L135-E291 HydrophobicContact CD1-CG 4.38Å; H288-E291 HydrophobicContact CB-CB 4.26Å; H288-E291 HydrophobicContact CB-CG 3.88Å; H288-E291 WeakPolarHBondContact CB-OE2 3.39Å; H288-E291 PolarHBondContact N-OE2 3.13Å; H288-E291 WeakPolarHBondContact O-CA 3.48Å; H288-E291 WeakPolarHBondContact O-CB 3.43Å; H288-E291 PolarHBondContact O-N 3.38Å; E291-A293 PolarHBondContact O-N 3.44Å; E291-A294 PolarHBondContact O-N 3.32Å; E291-L295 WeakPolarHBondContact O-CB 3.32Å; E291-L295 VanDerWaalsContact O-CG 3.29Å; E291-L295 WeakPolarHBondContact O-CG 3.36Å; E291-L295 PolarHBondContact O-N 3.08Å; E291-I356 HydrophobicContact CB-CG2 4.39Å; E291-I356 HydrophobicContact CG-CG2 3.73Å; E291-Y424 VanDerWaalsContact CD-OH 3.25Å; E291-Y424 PolarHBondContact OE1-OH 2.88Å; E291-P427 WeakPolarHBondContact OE1-CD 3.44Å
292L96.4Very high94.2Very high21 Ų2130.9 Ų30.911%0.1117%0.166CC..Hα-helixtrans-57.1-47.2176.517958.8000111.6W278 L279 I284 H288 P289 T296 I321W278-L292 HydrophobicContact CH2-CD1 3.62Å; W278-L292 HydrophobicContact CZ2-CD1 4.12Å; W278-L292 HydrophobicContact CZ3-CD1 4.12Å; L279-L292 HydrophobicContact CD2-CD1 4.02Å; I284-L292 HydrophobicContact CB-CD1 3.9Å; I284-L292 HydrophobicContact CB-CD2 4.43Å; I284-L292 HydrophobicContact CD1-CD1 4.46Å; I284-L292 HydrophobicContact CD1-CD2 4.12Å; I284-L292 HydrophobicContact CG2-CD1 3.61Å; H288-L292 PolarHBondContact O-N 3.32Å; P289-L292 PolarHBondContact O-N 2.75Å; L292-T296 VanDerWaalsContact O-CB 3.29Å; L292-T296 WeakPolarHBondContact O-CB 3.33Å; L292-T296 PolarHBondContact O-N 2.96Å; L292-T296 PolarHBondContact O-OG1 3.12Å; L292-I321 HydrophobicContact CB-CG2 4.35Å; L292-I321 HydrophobicContact CD2-CG2 3.94Å; L292-I321 HydrophobicContact CG-CG2 3.93Å
293A97.5Very high94.6Very high0 Ų023.9 Ų23.90%013%0.128CC..Hα-helixtrans-63-45.5179.100000112P289 I290 E291 T296 H297 M318 I321 L322P289-A293 VanDerWaalsContact O-CB 3.25Å; P289-A293 WeakPolarHBondContact O-CB 3.48Å; P289-A293 PolarHBondContact O-N 3.04Å; I290-A293 PolarHBondContact O-N 3.04Å; E291-A293 PolarHBondContact O-N 3.44Å; A293-T296 PolarHBondContact O-N 3.47Å; A293-H297 WeakPolarHBondContact O-CB 3.49Å; A293-H297 PolarHBondContact O-N 2.98Å; A293-M318 HydrophobicContact CB-CG 3.77Å; A293-I321 HydrophobicContact CB-CB 4.12Å; A293-I321 HydrophobicContact CB-CG2 3.9Å; A293-L322 HydrophobicContact CB-CD1 4.48Å; A293-L322 HydrophobicContact CB-CD2 3.75Å; A293-L322 HydrophobicContact CB-CG 3.72Å
294A98.3Very high95.2Very high0 Ų020.2 Ų20.20%011%0.111CC..Hα-helixtrans-66.3-44.517900000112.2I290 E291 H297 W298 F355 I356 I359I290-A294 VanDerWaalsContact O-CB 3.28Å; I290-A294 WeakPolarHBondContact O-CB 3.44Å; I290-A294 PolarHBondContact O-N 3.38Å; E291-A294 PolarHBondContact O-N 3.32Å; A294-H297 WeakPolarHBondContact O-CB 3.14Å; A294-H297 PolarHBondContact O-N 3.28Å; A294-W298 WeakPolarHBondContact O-CB 3.47Å; A294-W298 PolarHBondContact O-N 3.49Å; A294-F355 HydrophobicContact CB-CD1 4.2Å; A294-F355 HydrophobicContact CB-CE1 4.21Å; A294-F355 WeakPolarHBondContact O-CE1 3.23Å; A294-I356 HydrophobicContact CB-CB 4.35Å; A294-I356 HydrophobicContact CB-CG1 3.96Å; A294-I359 HydrophobicContact CB-CB 3.94Å; A294-I359 HydrophobicContact CB-CG1 3.74Å; A294-I359 HydrophobicContact CB-CG2 4.3Å
295L98.1Very high95.7Very high11 Ų1118.6 Ų18.66%0.05810%0.103CC..Hα-helixtrans-65.1-41.5176.9-71.5175.1000111.5W278 M287 E291 W298 K299 V352 I356 Y424W278-L295 HydrophobicContact CH2-CB 3.81Å; W278-L295 HydrophobicContact CZ2-CB 4.22Å; W278-L295 HydrophobicContact CZ2-CD1 4.33Å; M287-L295 HydrophobicContact SD-CD1 4.11Å; E291-L295 WeakPolarHBondContact O-CB 3.32Å; E291-L295 VanDerWaalsContact O-CG 3.29Å; E291-L295 WeakPolarHBondContact O-CG 3.36Å; E291-L295 PolarHBondContact O-N 3.08Å; L295-W298 HydrophobicContact CD2-CE3 4.4Å; L295-W298 PolarHBondContact O-N 2.7Å; L295-K299 WeakPolarHBondContact O-CB 3.46Å; L295-K299 VanDerWaalsContact O-CG 3.26Å; L295-K299 WeakPolarHBondContact O-CG 3.27Å; L295-K299 PolarHBondContact O-N 3.41Å; L295-V352 HydrophobicContact CD2-CB 4.13Å; L295-V352 HydrophobicContact CD2-CG1 4.36Å; L295-V352 HydrophobicContact CD2-CG2 3.99Å; L295-I356 HydrophobicContact CD2-CD1 4.13Å; L295-I356 HydrophobicContact CG-CD1 4.2Å; L295-Y424 HydrophobicContact CD1-CD1 4.13Å; L295-Y424 HydrophobicContact CD1-CE1 4.04Å
296T98.2Very high96.4Very high0 Ų016 Ų160%08%0.081CC..Hα-helixtrans-62.1-46176-56.10000111.3W278 L279 L292 A293 K299 L300 L317 I321W278-T296 WeakPolarHBondContact CZ3-OG1 3.38Å; L279-T296 HydrophobicContact CD1-CG2 4.23Å; L279-T296 HydrophobicContact CD2-CG2 4.22Å; L279-T296 WeakPolarHBondContact CD2-OG1 3.26Å; L292-T296 VanDerWaalsContact O-CB 3.29Å; L292-T296 WeakPolarHBondContact O-CB 3.33Å; L292-T296 PolarHBondContact O-N 2.96Å; L292-T296 PolarHBondContact O-OG1 3.12Å; A293-T296 PolarHBondContact O-N 3.47Å; T296-K299 PolarHBondContact O-N 2.95Å; T296-L300 WeakPolarHBondContact O-CB 3.39Å; T296-L300 PolarHBondContact O-N 2.89Å; T296-L317 HydrophobicContact CG2-CD2 3.56Å; T296-L317 HydrophobicContact CG2-CG 3.88Å; T296-I321 HydrophobicContact CG2-CD1 3.68Å; T296-I321 VanDerWaalsContact OG1-CD1 3.29Å; T296-I321 WeakPolarHBondContact OG1-CD1 3.42Å
297H98.6Very high97Very high0 Ų016.5 Ų16.50%08%0.075CC..Hα-helixtrans-54.6-55.5174.3173.5-67.7000110.8A293 A294 K299 L300 V301 M318 Y340 F355A293-H297 WeakPolarHBondContact O-CB 3.49Å; A293-H297 PolarHBondContact O-N 2.98Å; A294-H297 WeakPolarHBondContact O-CB 3.14Å; A294-H297 PolarHBondContact O-N 3.28Å; H297-K299 PolarHBondContact O-N 3.34Å; H297-L300 PolarHBondContact O-N 3.03Å; H297-V301 WeakPolarHBondContact O-CG2 3.33Å; H297-V301 PolarHBondContact O-N 3.35Å; H297-M318 HydrophobicContact CB-CB 4.09Å; H297-M318 HydrophobicContact CB-CG 4.29Å; H297-M318 HydrophobicContact CB-SD 4.27Å; H297-Y340 AromaticContact CE1-CE2 3.54Å; H297-Y340 AromaticContact CE1-CZ 3.64Å; H297-Y340 PolarHBondContact CE1-OH 2.89Å; H297-Y340 AromaticContact NE2-CE2 3.67Å; H297-Y340 AromaticContact NE2-CZ 3.64Å; H297-Y340 PolarHBondContact NE2-OH 3.16Å; H297-F355 HydrophobicContact CB-CE1 4.32Å; H297-F355 AromaticContact CE1-CZ 3.63Å; H297-F355 AromaticContact CG-CZ 3.93Å; H297-F355 AromaticContact ND1-CE1 3.63Å; H297-F355 AromaticContact ND1-CZ 3.29Å; H297-F355 VanDerWaalsContact ND1-CZ 3.29Å; H297-F355 WeakPolarHBondContact ND1-CZ 3.27Å
298W98Very high97.2Very high8 Ų818.2 Ų18.23%0.039%0.085CC..Hα-helixtrans-59.1-48.2-178.3166.369.7000111.7A294 L295 L300 V301 F302 L344 A347 N348 V352 F355 Y420 V422A294-W298 WeakPolarHBondContact O-CB 3.47Å; A294-W298 PolarHBondContact O-N 3.49Å; L295-W298 HydrophobicContact CD2-CE3 4.4Å; L295-W298 PolarHBondContact O-N 2.7Å; W298-L300 VanDerWaalsContact C-N 3.35Å; W298-L300 PolarHBondContact O-N 3.28Å; W298-V301 PolarHBondContact O-N 3.46Å; W298-F302 HydrophobicContact CZ2-CD2 4.45Å; W298-F302 WeakPolarHBondContact O-CB 3.5Å; W298-F302 PolarHBondContact O-N 2.94Å; W298-L344 HydrophobicContact CB-CD2 4.47Å; W298-A347 VanDerWaalsContact CD1-CB 3.41Å; W298-A347 HydrophobicContact CD2-CB 4.41Å; W298-A347 HydrophobicContact CG-CB 4.04Å; W298-N348 PolarHBondContact NE1-OD1 2.84Å; W298-V352 HydrophobicContact CD2-CG1 4.11Å; W298-V352 HydrophobicContact CE3-CG1 4.06Å; W298-V352 HydrophobicContact CH2-CG1 4.33Å; W298-V352 HydrophobicContact CZ2-CG1 4.35Å; W298-V352 HydrophobicContact CZ3-CG1 4.17Å; W298-F355 HydrophobicContact CB-CD1 4.15Å; W298-F355 HydrophobicContact CB-CE1 4.13Å; W298-Y420 HydrophobicContact CH2-CD1 4.37Å; W298-V422 HydrophobicContact CH2-CG2 3.56Å; W298-V422 HydrophobicContact CZ2-CG2 4.1Å; W298-V422 HydrophobicContact CZ3-CG2 4.38Å
299K98.1Very high97.3Very high15 Ų1518.2 Ų18.27%0.0659%0.085CC..Hα-helixtrans-57.8-44.5178.3-74.1175.9-178.4-69.60112L275 W278 L295 T296 H297 F302 I303 Y420L275-K299 HydrophobicContact CD1-CB 3.81Å; L275-K299 HydrophobicContact CD1-CD 3.84Å; L275-K299 HydrophobicContact CD1-CG 4.47Å; W278-K299 HydrophobicContact CD2-CD 4.29Å; W278-K299 HydrophobicContact CE3-CD 3.92Å; W278-K299 HydrophobicContact CH2-CD 4.23Å; W278-K299 HydrophobicContact CZ3-CD 3.88Å; L295-K299 WeakPolarHBondContact O-CB 3.46Å; L295-K299 VanDerWaalsContact O-CG 3.26Å; L295-K299 WeakPolarHBondContact O-CG 3.27Å; L295-K299 PolarHBondContact O-N 3.41Å; T296-K299 PolarHBondContact O-N 2.95Å; H297-K299 PolarHBondContact O-N 3.34Å; K299-F302 PolarHBondContact O-N 3.28Å; K299-I303 VanDerWaalsContact O-CG1 3.28Å; K299-I303 WeakPolarHBondContact O-CG1 3.38Å; K299-I303 PolarHBondContact O-N 2.96Å; K299-Y420 HydrophobicContact CG-CE1 4.48Å
300L98.4Very high97.5Very high0 Ų017.4 Ų17.40%08%0.08CC..Hα-helixtrans-63.9-44.3178.3-168.375000111.8I231 M272 L275 T296 H297 W298 F302 I303 H304 P305 T313 A314 L317I231-L300 HydrophobicContact CG2-CD1 4.3Å; M272-L300 HydrophobicContact CE-CD1 3.76Å; M272-L300 HydrophobicContact SD-CD1 3.89Å; L275-L300 HydrophobicContact CD2-CB 4.45Å; L275-L300 HydrophobicContact CD2-CD1 3.92Å; T296-L300 WeakPolarHBondContact O-CB 3.39Å; T296-L300 PolarHBondContact O-N 2.89Å; H297-L300 PolarHBondContact O-N 3.03Å; W298-L300 VanDerWaalsContact C-N 3.35Å; W298-L300 PolarHBondContact O-N 3.28Å; L300-F302 VanDerWaalsContact C-N 3.31Å; L300-F302 PolarHBondContact O-N 2.85Å; L300-I303 PolarHBondContact O-N 3Å; L300-H304 PolarHBondContact O-N 3.32Å; L300-P305 HydrophobicContact CD1-CG 3.81Å; L300-P305 HydrophobicContact CG-CG 4.36Å; L300-P305 VanDerWaalsContact O-CD 3.31Å; L300-P305 WeakPolarHBondContact O-CD 3.43Å; L300-T313 HydrophobicContact CD2-CG2 3.99Å; L300-A314 HydrophobicContact CB-CB 4.37Å; L300-A314 HydrophobicContact CD2-CB 3.97Å; L300-L317 HydrophobicContact CD2-CD2 4.11Å
301V97.2Very high97.5Very high21 Ų2117.9 Ų17.913%0.1279%0.085CC..Hα-helixtrans-64.4-37.4177.3174.90000111.5H297 W298 H304 A314 L344H297-V301 WeakPolarHBondContact O-CG2 3.33Å; H297-V301 PolarHBondContact O-N 3.35Å; W298-V301 PolarHBondContact O-N 3.46Å; V301-H304 WeakPolarHBondContact O-CB 3.28Å; V301-H304 PolarHBondContact O-N 2.87Å; V301-H304 PolarHBondContact O-ND1 3.29Å; V301-H304 VanDerWaalsContact O-ND1 3.17Å; V301-A314 HydrophobicContact CG2-CB 3.45Å; V301-A314 VanDerWaalsContact CG2-CB 3.45Å; V301-L344 HydrophobicContact CG1-CD1 4.31Å
302F96.6Very high97.6Very high58 Ų5817.7 Ų17.725%0.2548%0.084SC..Hα-helixtrans-65.1-47.6176.8-179.2-90.4000112.2H260 W298 K299 L300 H304 N348H260-F302 AromaticContact CE1-CD2 3.54Å; H260-F302 AromaticContact CE1-CE2 3.51Å; H260-F302 AromaticContact NE2-CD2 3.88Å; H260-F302 PolarHBondContact NE2-O 3.19Å; W298-F302 HydrophobicContact CZ2-CD2 4.45Å; W298-F302 WeakPolarHBondContact O-CB 3.5Å; W298-F302 PolarHBondContact O-N 2.94Å; K299-F302 PolarHBondContact O-N 3.28Å; L300-F302 VanDerWaalsContact C-N 3.31Å; L300-F302 PolarHBondContact O-N 2.85Å; F302-H304 VanDerWaalsContact C-N 3.26Å; F302-H304 PolarHBondContact O-N 3.47Å; F302-N348 WeakPolarHBondContact CD2-OD1 3.48Å
303I98.1Very high97.7Very high0 Ų016.7 Ų16.70%08%0.079CC..Hα-helixtrans-62.7-38.5175.7-65.6166.2000110.4R251 V268 L271 M272 L275 K299 L300 P305R251-I303 PolarHBondContact NH2-O 3.09Å; V268-I303 HydrophobicContact CG1-CG2 4.37Å; L271-I303 HydrophobicContact CB-CD1 4.11Å; L271-I303 HydrophobicContact CB-CG1 4.1Å; L271-I303 HydrophobicContact CB-CG2 4.09Å; L271-I303 HydrophobicContact CD1-CG2 4.49Å; M272-I303 HydrophobicContact CG-CG2 4.34Å; M272-I303 HydrophobicContact SD-CD1 4.24Å; M272-I303 HydrophobicContact SD-CG2 4Å; L275-I303 HydrophobicContact CB-CD1 4.12Å; L275-I303 HydrophobicContact CD2-CD1 4.17Å; K299-I303 VanDerWaalsContact O-CG1 3.28Å; K299-I303 WeakPolarHBondContact O-CG1 3.38Å; K299-I303 PolarHBondContact O-N 2.96Å; L300-I303 PolarHBondContact O-N 3Å; I303-P305 HydrophobicContact CG2-CB 4.27Å
304H97.4Very high97.8Very high24 Ų2416.7 Ų16.711%0.1118%0.079CC..  trans50.961.7-178-140.188.7000112.3R251 I257 P262 L300 V301 F302 F306 N310R251-H304 PolarHBondContact NE-O 3.13Å; R251-H304 PolarHBondContact NH2-O 3.44Å; I257-H304 HydrophobicContact CD1-CB 4.14Å; I257-H304 VanDerWaalsContact CD1-CD2 3.48Å; I257-H304 WeakPolarHBondContact CD1-CD2 3.48Å; I257-H304 WeakPolarHBondContact CD1-CE1 3.38Å; I257-H304 WeakPolarHBondContact CD1-ND1 3.44Å; I257-H304 VanDerWaalsContact CD1-NE2 3.32Å; I257-H304 WeakPolarHBondContact CD1-NE2 3.49Å; P262-H304 HydrophobicContact CB-CB 3.77Å; P262-H304 HydrophobicContact CG-CB 3.7Å; L300-H304 PolarHBondContact O-N 3.32Å; V301-H304 WeakPolarHBondContact O-CB 3.28Å; V301-H304 PolarHBondContact O-N 2.87Å; V301-H304 PolarHBondContact O-ND1 3.29Å; V301-H304 VanDerWaalsContact O-ND1 3.17Å; F302-H304 VanDerWaalsContact C-N 3.26Å; F302-H304 PolarHBondContact O-N 3.47Å; H304-F306 VanDerWaalsContact C-N 3.29Å; H304-F306 PolarHBondContact O-N 2.97Å; H304-N310 VanDerWaalsContact C-OD1 3.23Å; H304-N310 PolarHBondContact CD2-ND2 2.85Å; H304-N310 VanDerWaalsContact CE1-CB 3.41Å; H304-N310 WeakPolarHBondContact CE1-CB 3.28Å; H304-N310 PolarHBondContact NE2-ND2 3.17Å
305P98.3Very high97.8Very high0 Ų016.9 Ų16.90%08%0.079CC..  trans-70.8-16.8-167.427-36000115.5L250 R251 V268 M272 L300 I303 N310L250-P305 WeakPolarHBondContact CA-O 3.47Å; L250-P305 HydrophobicContact CD2-CB 3.75Å; R251-P305 WeakPolarHBondContact CG-O 3.29Å; R251-P305 PolarHBondContact N-O 2.73Å; V268-P305 HydrophobicContact CG1-CB 3.7Å; M272-P305 HydrophobicContact CE-CG 4.48Å; M272-P305 HydrophobicContact CG-CB 4.02Å; M272-P305 HydrophobicContact SD-CB 3.72Å; M272-P305 HydrophobicContact SD-CG 3.77Å; L300-P305 HydrophobicContact CD1-CG 3.81Å; L300-P305 HydrophobicContact CG-CG 4.36Å; L300-P305 VanDerWaalsContact O-CD 3.31Å; L300-P305 WeakPolarHBondContact O-CD 3.43Å; I303-P305 HydrophobicContact CG2-CB 4.27Å; P305-N310 WeakPolarHBondContact CD-OD1 3.34Å; P305-N310 VanDerWaalsContact N-OD1 3.12Å
306F98.3Very high97.8Very high0 Ų016.3 Ų16.30%08%0.076CC..SBendtrans-111162.1-173.9-53.4-61.9000112.4I231 L232 H235 R249 L250 H304 D308 N310 T313I231-F306 HydrophobicContact CG2-CE2 4.21Å; I231-F306 HydrophobicContact CG2-CZ 4.01Å; L232-F306 HydrophobicContact CD2-CE1 3.68Å; L232-F306 HydrophobicContact CD2-CZ 4.08Å; H235-F306 HydrophobicContact CB-CD1 4.43Å; H235-F306 HydrophobicContact CB-CD2 4.36Å; H235-F306 HydrophobicContact CB-CE1 3.98Å; H235-F306 HydrophobicContact CB-CE2 3.9Å; H235-F306 HydrophobicContact CB-CZ 3.69Å; H235-F306 AromaticContact CD2-CD2 3.59Å; H235-F306 AromaticContact CD2-CG 3.62Å; H235-F306 AromaticContact CE1-CD1 3.5Å; H235-F306 VanDerWaalsContact CE1-CD1 3.5Å; H235-F306 WeakPolarHBondContact CE1-CD1 3.35Å; H235-F306 AromaticContact CE1-CG 3.55Å; H235-F306 AromaticContact CG-CD1 3.69Å; H235-F306 AromaticContact CG-CD2 3.81Å; H235-F306 AromaticContact CG-CE1 3.72Å; H235-F306 AromaticContact CG-CE2 3.85Å; H235-F306 AromaticContact CG-CG 3.74Å; H235-F306 AromaticContact CG-CZ 3.8Å; H235-F306 AromaticContact ND1-CD1 3.32Å; H235-F306 VanDerWaalsContact ND1-CD1 3.32Å; H235-F306 WeakPolarHBondContact ND1-CD1 3.26Å; H235-F306 AromaticContact ND1-CE1 3.57Å; H235-F306 AromaticContact ND1-CG 3.69Å; H235-F306 AromaticContact NE2-CD1 3.95Å; H235-F306 AromaticContact NE2-CD2 3.95Å; H235-F306 AromaticContact NE2-CG 3.52Å; R249-F306 WeakPolarHBondContact O-CD1 3.11Å; L250-F306 HydrophobicContact CD2-CE1 4.15Å; H304-F306 VanDerWaalsContact C-N 3.29Å; H304-F306 PolarHBondContact O-N 2.97Å; F306-D308 WeakPolarHBondContact CB-O 3.47Å; F306-N310 WeakPolarHBondContact CB-OD1 3.44Å; F306-N310 WeakPolarHBondContact CD2-OD1 3.24Å; F306-N310 PolarHBondContact N-OD1 3.07Å; F306-N310 PolarHBondContact O-ND2 2.99Å; F306-T313 HydrophobicContact CE2-CG2 3.98Å
307Y96.1Very high97.7Very high135 Ų13516.3 Ų16.353%0.5298%0.076SC..SBendtrans-69.1-41.7174.6-179.9-101.1000112.1E246 V255E246-Y307 HydrophobicContact CG-CD1 4.27Å; E246-Y307 HydrophobicContact CG-CG 4.37Å; V255-Y307 HydrophobicContact CG1-CD2 4.18Å
308D95.8Very high97.7Very high62 Ų6216.4 Ų16.433%0.3328%0.077SC..SBendtrans-138.8170.3173.4-179.825.4000108.5H235 F306 N310 R312H235-D308 PolarHBondContact NE2-O 3.47Å; F306-D308 WeakPolarHBondContact CB-O 3.47Å; D308-N310 VanDerWaalsContact C-N 3.34Å; D308-N310 PolarHBondContact O-N 3.26Å; D308-R312 VanDerWaalsContact CG-NH2 3.34Å; D308-R312 IonicContact OD1-NH2 2.89Å; D308-R312 PolarHBondContact OD1-NH2 3.25Å; D308-R312 VanDerWaalsContact OD1-NH2 3.15Å; D308-R312 IonicContact OD2-NH2 2.75Å; D308-R312 PolarHBondContact OD2-NH2 2.96Å
309G97Very high97.6Very high2 Ų216 Ų162%0.0218%0.075CC..  trans87.4-5.8170.900000114.9G311 R312 T313G309-G311 PolarHBondContact O-N 2.81Å; G309-R312 PolarHBondContact O-N 3.09Å; G309-R312 VanDerWaalsContact O-N 3.13Å; G309-T313 PolarHBondContact O-N 3.38Å; G309-T313 PolarHBondContact O-OG1 3.15Å; G309-T313 VanDerWaalsContact O-OG1 3.13Å
310N97.5Very high97.5Very high2 Ų215.3 Ų15.31%0.0117%0.072CC..Hα-helixtrans-53.6-48.8-174.8-65.2-81.4000114H304 P305 F306 D308 T313 A314H304-N310 VanDerWaalsContact C-OD1 3.23Å; H304-N310 PolarHBondContact CD2-ND2 2.85Å; H304-N310 VanDerWaalsContact CE1-CB 3.41Å; H304-N310 WeakPolarHBondContact CE1-CB 3.28Å; H304-N310 PolarHBondContact NE2-ND2 3.17Å; P305-N310 WeakPolarHBondContact CD-OD1 3.34Å; P305-N310 VanDerWaalsContact N-OD1 3.12Å; F306-N310 WeakPolarHBondContact CB-OD1 3.44Å; F306-N310 WeakPolarHBondContact CD2-OD1 3.24Å; F306-N310 PolarHBondContact N-OD1 3.07Å; F306-N310 PolarHBondContact O-ND2 2.99Å; D308-N310 VanDerWaalsContact C-N 3.34Å; D308-N310 PolarHBondContact O-N 3.26Å; N310-T313 PolarHBondContact O-N 3.12Å; N310-A314 VanDerWaalsContact O-CB 3.31Å; N310-A314 WeakPolarHBondContact O-CB 3.3Å; N310-A314 PolarHBondContact O-N 3.12Å
311G97.5Very high97.2Very high10 Ų1015.6 Ų15.610%0.1037%0.074CC..Hα-helixtrans-63.5-43178.800000112.6G309 A314 R315G309-G311 PolarHBondContact O-N 2.81Å; G311-A314 PolarHBondContact O-N 2.95Å; G311-R315 VanDerWaalsContact C-CZ 3.42Å; G311-R315 WeakPolarHBondContact O-CG 3.3Å; G311-R315 VanDerWaalsContact O-CZ 3.28Å; G311-R315 PolarHBondContact O-N 3.35Å; G311-R315 PolarHBondContact O-NH1 2.72Å
312R98.3Very high97.1Very high2 Ų214.6 Ų14.61%0.0087%0.068CC..Hα-helixtrans-64.4-45.4177-73174.3-69-171.3-4.5111.5N171 E174 E203 M207 L238 D308 G309 R315 L316N171-R312 WeakPolarHBondContact OD1-CD 3.29Å; E174-R312 HydrophobicContact CG-CG 3.8Å; E203-R312 VanDerWaalsContact CG-NH1 3.34Å; E203-R312 IonicContact OE1-CZ 2.67Å; E203-R312 IonicContact OE1-NH1 3.25Å; E203-R312 PolarHBondContact OE1-NH1 3Å; E203-R312 IonicContact OE1-NH2 3.66Å; M207-R312 HydrophobicContact CE-CB 3.75Å; M207-R312 HydrophobicContact CE-CG 3.63Å; L238-R312 HydrophobicContact CD1-CB 4.01Å; L238-R312 HydrophobicContact CD2-CB 3.53Å; L238-R312 HydrophobicContact CG-CB 4.38Å; D308-R312 VanDerWaalsContact CG-NH2 3.34Å; D308-R312 IonicContact OD1-NH2 2.89Å; D308-R312 PolarHBondContact OD1-NH2 3.25Å; D308-R312 VanDerWaalsContact OD1-NH2 3.15Å; D308-R312 IonicContact OD2-NH2 2.75Å; D308-R312 PolarHBondContact OD2-NH2 2.96Å; G309-R312 PolarHBondContact O-N 3.09Å; G309-R312 VanDerWaalsContact O-N 3.13Å; R312-R315 PolarHBondContact O-N 3.04Å; R312-L316 WeakPolarHBondContact O-CG 3.43Å; R312-L316 PolarHBondContact O-N 2.74Å
313T98.6Very high96.8Very high0 Ų011.9 Ų11.90%06%0.056CC..Hα-helixtrans-63.9-39.8175.5-56.70000111.9I231 H235 L238 L300 F306 G309 N310 R315 L316 L317I231-T313 HydrophobicContact CG2-CG2 4.13Å; H235-T313 HydrophobicContact CB-CG2 4.41Å; H235-T313 PolarHBondContact CD2-OG1 3.4Å; L238-T313 WeakPolarHBondContact CD2-OG1 3.48Å; L300-T313 HydrophobicContact CD2-CG2 3.99Å; F306-T313 HydrophobicContact CE2-CG2 3.98Å; G309-T313 PolarHBondContact O-N 3.38Å; G309-T313 PolarHBondContact O-OG1 3.15Å; G309-T313 VanDerWaalsContact O-OG1 3.13Å; N310-T313 PolarHBondContact O-N 3.12Å; T313-R315 VanDerWaalsContact C-N 3.35Å; T313-R315 PolarHBondContact O-N 3.37Å; T313-L316 PolarHBondContact O-N 3.35Å; T313-L317 WeakPolarHBondContact O-CB 3.47Å; T313-L317 PolarHBondContact O-N 3.31Å
314A98.6Very high96.4Very high0 Ų013.6 Ų13.60%06%0.062CC..Hα-helixtrans-62.7-41.1176.300000112.1L300 V301 N310 G311 L317 M318L300-A314 HydrophobicContact CB-CB 4.37Å; L300-A314 HydrophobicContact CD2-CB 3.97Å; V301-A314 HydrophobicContact CG2-CB 3.45Å; V301-A314 VanDerWaalsContact CG2-CB 3.45Å; N310-A314 VanDerWaalsContact O-CB 3.31Å; N310-A314 WeakPolarHBondContact O-CB 3.3Å; N310-A314 PolarHBondContact O-N 3.12Å; G311-A314 PolarHBondContact O-N 2.95Å; A314-L317 PolarHBondContact O-N 3.37Å; A314-M318 VanDerWaalsContact O-CB 3.25Å; A314-M318 WeakPolarHBondContact O-CB 3.4Å; A314-M318 PolarHBondContact O-N 3.29Å
315R98.6Very high95.9Very high4 Ų413.8 Ų13.82%0.0157%0.066CC..Hα-helixtrans-67.6-37.8175.8-70.5-177.3-66.7-90.56.3112.7S170 E174 G311 R312 T313 N319 I332 Y340S170-R315 PolarHBondContact O-NH2 2.89Å; S170-R315 PolarHBondContact OG-NE 3.37Å; S170-R315 PolarHBondContact OG-NH2 3.49Å; E174-R315 IonicContact OE1-CZ 3.22Å; E174-R315 VanDerWaalsContact OE1-CZ 3.28Å; E174-R315 IonicContact OE1-NH1 3.31Å; E174-R315 PolarHBondContact OE1-NH1 3.04Å; E174-R315 IonicContact OE1-NH2 3.75Å; E174-R315 PolarHBondContact OE1-NH2 3.29Å; G311-R315 VanDerWaalsContact C-CZ 3.42Å; G311-R315 WeakPolarHBondContact O-CG 3.3Å; G311-R315 VanDerWaalsContact O-CZ 3.28Å; G311-R315 PolarHBondContact O-N 3.35Å; G311-R315 PolarHBondContact O-NH1 2.72Å; R312-R315 PolarHBondContact O-N 3.04Å; T313-R315 VanDerWaalsContact C-N 3.35Å; T313-R315 PolarHBondContact O-N 3.37Å; R315-N319 WeakPolarHBondContact O-CB 3.34Å; R315-N319 PolarHBondContact O-N 3.25Å; R315-N319 VanDerWaalsContact O-N 3.11Å; R315-I332 HydrophobicContact CG-CD1 4.28Å; R315-Y340 PolarHBondContact NH1-OH 2.95Å; R315-Y340 VanDerWaalsContact NH1-OH 3.09Å
316L98.3Very high95.5Very high0 Ų013.9 Ų13.90%07%0.067CC..Hα-helixtrans-63.2-46.3172.5-74.6166.9000111.7M207 A210 L211 I214 L238 R312 T313 N319 L320M207-L316 HydrophobicContact SD-CD1 4.07Å; M207-L316 HydrophobicContact SD-CD2 3.92Å; M207-L316 HydrophobicContact SD-CG 4.08Å; A210-L316 HydrophobicContact CB-CD1 3.63Å; A210-L316 HydrophobicContact CB-CD2 4.36Å; L211-L316 HydrophobicContact CD2-CD2 3.51Å; L211-L316 HydrophobicContact CG-CD2 4.02Å; I214-L316 HydrophobicContact CD1-CB 4.11Å; I214-L316 HydrophobicContact CD1-CD2 3.7Å; L238-L316 HydrophobicContact CD1-CD1 4.26Å; R312-L316 WeakPolarHBondContact O-CG 3.43Å; R312-L316 PolarHBondContact O-N 2.74Å; T313-L316 PolarHBondContact O-N 3.35Å; L316-N319 PolarHBondContact O-N 3.01Å; L316-L320 PolarHBondContact O-N 3.37Å
317L97.6Very high95.1Very high0 Ų013.9 Ų13.90%07%0.067CC..Hα-helixtrans-66.4-42.3179.9-177.658.8000112.3I226 I231 T296 L300 T313 A314 N319 L320 I321I226-L317 HydrophobicContact CD1-CD1 3.98Å; I226-L317 HydrophobicContact CG2-CD1 3.91Å; I231-L317 HydrophobicContact CD1-CD2 3.91Å; I231-L317 HydrophobicContact CG1-CD1 4.43Å; I231-L317 HydrophobicContact CG1-CD2 4.19Å; T296-L317 HydrophobicContact CG2-CD2 3.56Å; T296-L317 HydrophobicContact CG2-CG 3.88Å; L300-L317 HydrophobicContact CD2-CD2 4.11Å; T313-L317 WeakPolarHBondContact O-CB 3.47Å; T313-L317 PolarHBondContact O-N 3.31Å; A314-L317 PolarHBondContact O-N 3.37Å; L317-N319 VanDerWaalsContact C-N 3.3Å; L317-N319 PolarHBondContact O-N 3.47Å; L317-L320 HydrophobicContact CD1-CD2 4.25Å; L317-L320 WeakPolarHBondContact O-CB 3.42Å; L317-L320 PolarHBondContact O-N 2.86Å; L317-I321 PolarHBondContact O-N 3.15Å; L317-I321 VanDerWaalsContact O-N 3.11Å
318M97.7Very high95Very high1 Ų17.7 Ų7.71%0.0054%0.044CC..Hα-helixtrans-53.9-48.7171.9-176.8-174.26600111.2A293 H297 A314 I321 L322 A330 I332 I359A293-M318 HydrophobicContact CB-CG 3.77Å; H297-M318 HydrophobicContact CB-CB 4.09Å; H297-M318 HydrophobicContact CB-CG 4.29Å; H297-M318 HydrophobicContact CB-SD 4.27Å; A314-M318 VanDerWaalsContact O-CB 3.25Å; A314-M318 WeakPolarHBondContact O-CB 3.4Å; A314-M318 PolarHBondContact O-N 3.29Å; M318-I321 PolarHBondContact O-N 2.91Å; M318-L322 HydrophobicContact CG-CD1 4.44Å; M318-L322 WeakPolarHBondContact O-CG 3.31Å; M318-L322 PolarHBondContact O-N 3.21Å; M318-A330 HydrophobicContact CE-CB 3.87Å; M318-I332 HydrophobicContact CE-CD1 4.44Å; M318-I359 HydrophobicContact CE-CD1 4.47Å; M318-I359 HydrophobicContact CG-CG2 4.49Å; M318-I359 HydrophobicContact SD-CD1 3.61Å; M318-I359 HydrophobicContact SD-CG1 4Å; M318-I359 HydrophobicContact SD-CG2 3.76Å
319N96.7Very high94.9Very high0 Ų05 Ų50%03%0.03CC..Hα-helixtrans-70.9-33.2-179.3-78.1-19.3000112.8H166 R315 L316 L317 I321 L322 M323 P329 A330 F446H166-N319 PolarHBondContact CE1-ND2 2.84Å; H166-N319 PolarHBondContact ND1-ND2 3.36Å; R315-N319 WeakPolarHBondContact O-CB 3.34Å; R315-N319 PolarHBondContact O-N 3.25Å; R315-N319 VanDerWaalsContact O-N 3.11Å; L316-N319 PolarHBondContact O-N 3.01Å; L317-N319 VanDerWaalsContact C-N 3.3Å; L317-N319 PolarHBondContact O-N 3.47Å; N319-I321 VanDerWaalsContact C-N 3.29Å; N319-I321 PolarHBondContact O-N 2.79Å; N319-L322 PolarHBondContact O-N 2.98Å; N319-M323 HydrophobicContact CB-SD 4.25Å; N319-M323 WeakPolarHBondContact O-CB 3.38Å; N319-M323 WeakPolarHBondContact O-CG 3.34Å; N319-M323 PolarHBondContact O-N 3.08Å; N319-P329 HydrophobicContact CB-CB 4.07Å; N319-P329 WeakPolarHBondContact OD1-CA 3.36Å; N319-A330 PolarHBondContact ND2-O 3.39Å; N319-A330 VanDerWaalsContact ND2-O 3.1Å; N319-A330 PolarHBondContact OD1-N 2.86Å; N319-A330 PolarHBondContact OD1-O 3.17Å; N319-F446 HydrophobicContact CB-CE2 4.46Å; N319-F446 HydrophobicContact CB-CZ 3.91Å
320L94.3Very high94.9Very high0 Ų05 Ų50%03%0.029CC..Hα-helixtrans-56.6-44.9170.3175.364.9000111.4I214 L218 L219 I226 L316 L317 R324I214-L320 HydrophobicContact CG2-CD1 4.16Å; L218-L320 HydrophobicContact CB-CD1 3.61Å; L218-L320 HydrophobicContact CB-CD2 4.36Å; L218-L320 HydrophobicContact CD1-CD1 4.22Å; L218-L320 HydrophobicContact CD1-CD2 3.67Å; L219-L320 HydrophobicContact CD2-CD1 4.23Å; L219-L320 HydrophobicContact CG-CD1 4.37Å; I226-L320 HydrophobicContact CD1-CD2 4.25Å; I226-L320 HydrophobicContact CG1-CD2 4.34Å; L316-L320 PolarHBondContact O-N 3.37Å; L317-L320 HydrophobicContact CD1-CD2 4.25Å; L317-L320 WeakPolarHBondContact O-CB 3.42Å; L317-L320 PolarHBondContact O-N 2.86Å; L320-R324 HydrophobicContact CD1-CG 4.14Å; L320-R324 WeakPolarHBondContact O-CB 3.48Å; L320-R324 WeakPolarHBondContact O-CG 3.49Å; L320-R324 PolarHBondContact O-N 3.21Å
321I93.5Very high94.9Very high7 Ų75.2 Ų5.24%0.0363%0.03CC..Hα-helixtrans-63.6-52.1178-68.7167.9000110.5I226 L279 L292 A293 T296 L317 M318 N319 M323 R324 S325I226-I321 HydrophobicContact CD1-CD1 4.07Å; I226-I321 HydrophobicContact CD1-CG1 3.57Å; L279-I321 HydrophobicContact CD2-CD1 4.39Å; L292-I321 HydrophobicContact CB-CG2 4.35Å; L292-I321 HydrophobicContact CD2-CG2 3.94Å; L292-I321 HydrophobicContact CG-CG2 3.93Å; A293-I321 HydrophobicContact CB-CB 4.12Å; A293-I321 HydrophobicContact CB-CG2 3.9Å; T296-I321 HydrophobicContact CG2-CD1 3.68Å; T296-I321 VanDerWaalsContact OG1-CD1 3.29Å; T296-I321 WeakPolarHBondContact OG1-CD1 3.42Å; L317-I321 PolarHBondContact O-N 3.15Å; L317-I321 VanDerWaalsContact O-N 3.11Å; M318-I321 PolarHBondContact O-N 2.91Å; N319-I321 VanDerWaalsContact C-N 3.29Å; N319-I321 PolarHBondContact O-N 2.79Å; I321-M323 VanDerWaalsContact C-N 3.26Å; I321-M323 PolarHBondContact O-N 2.99Å; I321-R324 PolarHBondContact O-N 3.48Å; I321-S325 PolarHBondContact O-N 3.48Å; I321-S325 PolarHBondContact O-OG 2.75Å
322L93.8Very high94.9Very high0 Ų05 Ų50%03%0.027CC..Hα-helixtrans-53.9-46.4178.4-69.7175000111.5I290 A293 M318 N319 S325 G326 L327 A330I290-L322 HydrophobicContact CB-CD2 4.44Å; I290-L322 HydrophobicContact CG1-CD2 3.84Å; A293-L322 HydrophobicContact CB-CD1 4.48Å; A293-L322 HydrophobicContact CB-CD2 3.75Å; A293-L322 HydrophobicContact CB-CG 3.72Å; M318-L322 HydrophobicContact CG-CD1 4.44Å; M318-L322 WeakPolarHBondContact O-CG 3.31Å; M318-L322 PolarHBondContact O-N 3.21Å; N319-L322 PolarHBondContact O-N 2.98Å; L322-S325 CarbonylContact O-C 3.55Å; L322-S325 PolarHBondContact O-N 2.88Å; L322-G326 PolarHBondContact O-N 2.99Å; L322-L327 CarbonylContact C-O 3.58Å; L322-L327 HydrophobicContact CB-CB 4.18Å; L322-L327 HydrophobicContact CD2-CB 4.37Å; L322-L327 WeakPolarHBondContact O-CB 3.2Å; L322-L327 PolarHBondContact O-N 2.7Å; L322-A330 HydrophobicContact CD1-CB 3.74Å
323M91.4Very high94.9Very high0 Ų07.3 Ų7.30%04%0.037CC..Hα-helixtrans-70.6-40.4-176.2-70166.673.700112.4L219 N319 I321 S325 G326 L327 P329 A444 S445 F446L219-M323 HydrophobicContact CD1-CE 3.82Å; L219-M323 HydrophobicContact CD2-CB 3.92Å; N319-M323 HydrophobicContact CB-SD 4.25Å; N319-M323 WeakPolarHBondContact O-CB 3.38Å; N319-M323 WeakPolarHBondContact O-CG 3.34Å; N319-M323 PolarHBondContact O-N 3.08Å; I321-M323 VanDerWaalsContact C-N 3.26Å; I321-M323 PolarHBondContact O-N 2.99Å; M323-S325 PolarHBondContact O-N 3.24Å; M323-G326 PolarHBondContact O-N 3.43Å; M323-L327 WeakPolarHBondContact CA-O 3.22Å; M323-P329 HydrophobicContact SD-CB 4.01Å; M323-P329 HydrophobicContact SD-CG 4.34Å; M323-A444 HydrophobicContact CB-CB 3.76Å; M323-A444 WeakPolarHBondContact CE-O 3.39Å; M323-A444 HydrophobicContact CG-CB 4.24Å; M323-A444 WeakPolarHBondContact O-CB 3.41Å; M323-S445 VanDerWaalsContact CE-C 3.41Å; M323-F446 HydrophobicContact CE-CD2 3.49Å; M323-F446 VanDerWaalsContact CE-CD2 3.49Å; M323-F446 HydrophobicContact CE-CE2 3.76Å; M323-F446 HydrophobicContact CE-CG 3.93Å; M323-F446 HydrophobicContact CE-CZ 4.43Å; M323-F446 HydrophobicContact SD-CD2 3.81Å; M323-F446 HydrophobicContact SD-CE1 4.39Å; M323-F446 HydrophobicContact SD-CE2 3.39Å; M323-F446 WeakPolarHBondContact SD-CE2 2.83Å; M323-F446 HydrophobicContact SD-CG 4.43Å; M323-F446 HydrophobicContact SD-CZ 3.72Å
324R88.8Confident94.8Very high36 Ų369.2 Ų9.214%0.1365%0.047CC..Hα-helixtrans-60.9-28.8171.5-78.9-177.9168.8-166.7-5.7112.6L218 L219 L223 T224 L320 I321 G326L218-R324 PolarHBondContact O-NE 2.85Å; L218-R324 VanDerWaalsContact O-NE 3.09Å; L218-R324 PolarHBondContact O-NH2 3.25Å; L219-R324 HydrophobicContact CD2-CG 3.92Å; L223-R324 HydrophobicContact CD2-CB 4.07Å; L223-R324 HydrophobicContact CD2-CG 4.21Å; T224-R324 PolarHBondContact O-NH1 3.06Å; L320-R324 HydrophobicContact CD1-CG 4.14Å; L320-R324 WeakPolarHBondContact O-CB 3.48Å; L320-R324 WeakPolarHBondContact O-CG 3.49Å; L320-R324 PolarHBondContact O-N 3.21Å; I321-R324 PolarHBondContact O-N 3.48Å; R324-G326 VanDerWaalsContact C-N 3.34Å
325S88.2Confident94.7Very high28 Ų2815.6 Ų15.620%0.1968%0.077CC..THydrogen-bonded Turntrans-88.16.1175.2-59.40000114.4P289 I321 L322 M323 H437P289-S325 VanDerWaalsContact CB-CB 3.48Å; I321-S325 PolarHBondContact O-N 3.48Å; I321-S325 PolarHBondContact O-OG 2.75Å; L322-S325 CarbonylContact O-C 3.55Å; L322-S325 PolarHBondContact O-N 2.88Å; M323-S325 PolarHBondContact O-N 3.24Å; S325-H437 VanDerWaalsContact O-CB 3.27Å; S325-H437 WeakPolarHBondContact O-CB 3.49Å
326G88.3Confident94.6Very high2 Ų216.9 Ų16.92%0.0218%0.084CC..THydrogen-bonded Turntrans82.67.2177.100000115.5Y146 L322 M323 R324Y146-G326 WeakPolarHBondContact CE2-O 3.41Å; Y146-G326 WeakPolarHBondContact OH-CA 3.39Å; Y146-G326 PolarHBondContact OH-O 2.88Å; L322-G326 PolarHBondContact O-N 2.99Å; M323-G326 PolarHBondContact O-N 3.43Å; R324-G326 VanDerWaalsContact C-N 3.34Å
327L91.7Very high94.4Very high1 Ų122 Ų221%0.00510%0.103CC..PPolyproline II helixtrans-88.7151.9171.9-66.9101.2000110.7I138 V142 P289 I290 L322 M323 T363I138-L327 HydrophobicContact CG2-CD2 4.14Å; V142-L327 HydrophobicContact CG2-CD2 4.17Å; V142-L327 HydrophobicContact CG2-CG 4.22Å; P289-L327 HydrophobicContact CB-CD1 3.59Å; P289-L327 HydrophobicContact CG-CD1 4.07Å; I290-L327 HydrophobicContact CD1-CD2 3.78Å; I290-L327 HydrophobicContact CG1-CD2 3.76Å; L322-L327 CarbonylContact C-O 3.58Å; L322-L327 HydrophobicContact CB-CB 4.18Å; L322-L327 HydrophobicContact CD2-CB 4.37Å; L322-L327 WeakPolarHBondContact O-CB 3.2Å; L322-L327 PolarHBondContact O-N 2.7Å; M323-L327 WeakPolarHBondContact CA-O 3.22Å; L327-T363 HydrophobicContact CB-CG2 4.34Å; L327-T363 HydrophobicContact CD2-CG2 3.81Å
328P92.2Very high94.1Very high5 Ų529.2 Ų29.23%0.03214%0.135CC..PPolyproline II helixtrans-71161.4170.733-36000111.1T366 L367 Y370P328-T366 HydrophobicContact CB-CG2 3.66Å; P328-T366 HydrophobicContact CG-CG2 3.94Å; P328-L367 HydrophobicContact CG-CD1 4.48Å; P328-L367 HydrophobicContact CG-CD2 3.72Å; P328-L367 HydrophobicContact CG-CG 3.57Å; P328-Y370 HydrophobicContact CB-CD2 4.11Å; P328-Y370 HydrophobicContact CB-CE2 3.64Å
329P94.3Very high93.9Very high6 Ų630.8 Ų30.84%0.03914%0.144CC..PPolyproline II helixtrans-62.7139.517726.3-34.8000111.5N319 M323 T366 F446N319-P329 HydrophobicContact CB-CB 4.07Å; N319-P329 WeakPolarHBondContact OD1-CA 3.36Å; M323-P329 HydrophobicContact SD-CB 4.01Å; M323-P329 HydrophobicContact SD-CG 4.34Å; P329-T366 WeakPolarHBondContact O-CB 3.25Å; P329-T366 WeakPolarHBondContact O-CG2 3.27Å; P329-T366 PolarHBondContact O-OG1 3.24Å; P329-F446 HydrophobicContact CB-CD1 4.42Å; P329-F446 HydrophobicContact CB-CE1 3.55Å; P329-F446 HydrophobicContact CB-CZ 3.77Å; P329-F446 HydrophobicContact CG-CD1 4.04Å; P329-F446 HydrophobicContact CG-CE1 3.64Å; P329-F446 HydrophobicContact CG-CZ 4.27Å
330A96.5Very high93.8Very high1 Ų130.9 Ų30.91%0.00815%0.145CC..PPolyproline II helixtrans-77.2131.3168.100000109.9M318 N319 L322 I359 C362M318-A330 HydrophobicContact CE-CB 3.87Å; N319-A330 PolarHBondContact ND2-O 3.39Å; N319-A330 VanDerWaalsContact ND2-O 3.1Å; N319-A330 PolarHBondContact OD1-N 2.86Å; N319-A330 PolarHBondContact OD1-O 3.17Å; L322-A330 HydrophobicContact CD1-CB 3.74Å; A330-I359 HydrophobicContact CB-CG2 4.4Å; A330-C362 HydrophobicContact CB-CB 4Å
331I97.5Very high93.8Very high6 Ų634.9 Ų34.93%0.03116%0.161CC..  trans-109.3105.8172.9-59.1179.2000108.4H162 K165 H169 K333H162-I331 HydrophobicContact CB-CD1 4Å; K165-I331 HydrophobicContact CB-CD1 3.99Å; H169-I331 HydrophobicContact CB-CG2 4.28Å; I331-K333 HydrophobicContact CG2-CG 4.41Å; I331-K333 PolarHBondContact O-N 3.12Å
332I98Very high93.7Very high6 Ų637.1 Ų37.13%0.03117%0.171CC..  trans-75.9114167.3-59.1172.7000106.5H169 I173 R315 M318 Y340 F358 I359H169-I332 WeakPolarHBondContact CB-O 3.47Å; I173-I332 HydrophobicContact CD1-CB 4.03Å; I173-I332 HydrophobicContact CD1-CG2 3.62Å; I173-I332 WeakPolarHBondContact CD1-O 3.39Å; R315-I332 HydrophobicContact CG-CD1 4.28Å; M318-I332 HydrophobicContact CE-CD1 4.44Å; I332-Y340 HydrophobicContact CD1-CD2 3.7Å; I332-Y340 HydrophobicContact CD1-CE2 3.51Å; I332-Y340 HydrophobicContact CG2-CD2 4.19Å; I332-Y340 HydrophobicContact CG2-CG 4.08Å; I332-F358 HydrophobicContact CD1-CE1 4.2Å; I332-F358 HydrophobicContact CG1-CE1 4.03Å; I332-F358 HydrophobicContact CG2-CE1 4.04Å; I332-F358 HydrophobicContact CG2-CZ 3.95Å; I332-I359 HydrophobicContact CD1-CD1 3.86Å; I332-I359 HydrophobicContact CG1-CD1 4.3Å
333K97.9Very high93.7Very high50 Ų5037.2 Ų37.222%0.21717%0.171CC..  trans-78.2153.3-176.1-73-171179.8178.90110.4I331 E335 D336 E369I331-K333 HydrophobicContact CG2-CG 4.41Å; I331-K333 PolarHBondContact O-N 3.12Å; K333-E335 VanDerWaalsContact CB-OE2 3.3Å; K333-E335 WeakPolarHBondContact CB-OE2 3.45Å; K333-E335 PolarHBondContact O-N 2.76Å; K333-D336 WeakPolarHBondContact O-CA 3.37Å; K333-D336 WeakPolarHBondContact O-CB 3.41Å; K333-D336 PolarHBondContact O-N 3.29Å; K333-E369 IonicContact NZ-OE1 3.27Å; K333-E369 PolarHBondContact NZ-OE1 3.47Å
334I97.7Very high93.9Very high41 Ų4137.6 Ų37.621%0.2117%0.173CC..G310 helixtrans-65.1-30.7180179.655.5000110.9Y168 H169 A172 I173 D336 R337Y168-I334 HydrophobicContact CE1-CG2 4.33Å; H169-I334 PolarHBondContact ND1-N 3.43Å; A172-I334 VanDerWaalsContact C-CD1 3.46Å; A172-I334 HydrophobicContact CB-CB 4.11Å; A172-I334 HydrophobicContact CB-CD1 3.96Å; A172-I334 HydrophobicContact CB-CG1 3.95Å; A172-I334 VanDerWaalsContact O-CD1 3.31Å; A172-I334 WeakPolarHBondContact O-CD1 3.43Å; I173-I334 HydrophobicContact CG1-CD1 4.12Å; I334-D336 PolarHBondContact O-N 3.44Å; I334-R337 HydrophobicContact CD1-CB 4.14Å; I334-R337 HydrophobicContact CD1-CG 4.48Å; I334-R337 WeakPolarHBondContact O-CB 3.33Å; I334-R337 PolarHBondContact O-N 3.02Å; I334-R337 VanDerWaalsContact O-N 3.09Å
335E96.5Very high94Very high134 Ų13438.7 Ų38.763%0.62618%0.179SC*.G310 helixtrans-62.5-28.4173.3-59.475.9-166.100111.8H169 K333 R337H169-E335 IonicContact CE1-OE2 2.64Å; K333-E335 VanDerWaalsContact CB-OE2 3.3Å; K333-E335 WeakPolarHBondContact CB-OE2 3.45Å; K333-E335 PolarHBondContact O-N 2.76Å; E335-R337 VanDerWaalsContact C-N 3.34Å
336D95.2Very high94.2Very high31 Ų3137.8 Ų37.817%0.16617%0.172CC..G310 helixtrans-88.33.8177.8-64.8-39.8000112.4K333 I334 F338 T339 Y340 F358 R365K333-D336 WeakPolarHBondContact O-CA 3.37Å; K333-D336 WeakPolarHBondContact O-CB 3.41Å; K333-D336 PolarHBondContact O-N 3.29Å; I334-D336 PolarHBondContact O-N 3.44Å; D336-F338 PolarHBondContact O-N 3.3Å; D336-T339 PolarHBondContact O-N 3.11Å; D336-Y340 WeakPolarHBondContact O-CB 3.19Å; D336-Y340 PolarHBondContact O-N 3.14Å; D336-F358 HydrophobicContact CB-CE2 3.99Å; D336-F358 HydrophobicContact CB-CZ 3.87Å; D336-R365 IonicContact OD1-NH2 2.75Å; D336-R365 IonicContact OD2-CZ 2.84Å; D336-R365 IonicContact OD2-NH1 2.83Å; D336-R365 PolarHBondContact OD2-NH1 3.49Å; D336-R365 IonicContact OD2-NH2 2.96Å; D336-R365 PolarHBondContact OD2-NH2 3.36Å
337R94.8Very high94.5Very high108 Ų10837.7 Ų37.741%0.40817%0.171SC..Hα-helixtrans-55-45.2-173.4179.3-178.7-171.5-120.7-1.1113.7I173 I334 E335 Y340 Y341I173-R337 HydrophobicContact CG2-CG 4.43Å; I173-R337 PolarHBondContact O-NE 3.4Å; I173-R337 PolarHBondContact O-NH2 2.87Å; I334-R337 HydrophobicContact CD1-CB 4.14Å; I334-R337 HydrophobicContact CD1-CG 4.48Å; I334-R337 WeakPolarHBondContact O-CB 3.33Å; I334-R337 PolarHBondContact O-N 3.02Å; I334-R337 VanDerWaalsContact O-N 3.09Å; E335-R337 VanDerWaalsContact C-N 3.34Å; R337-Y340 PolarHBondContact O-N 2.94Å; R337-Y341 HydrophobicContact CG-CD2 3.83Å; R337-Y341 HydrophobicContact CG-CE2 3.53Å; R337-Y341 VanDerWaalsContact O-CD2 3.23Å; R337-Y341 WeakPolarHBondContact O-CD2 3.33Å; R337-Y341 PolarHBondContact O-N 3.37Å; R337-Y341 VanDerWaalsContact O-N 3.13Å
338F92.2Very high94.6Very high150 Ų15039.8 Ų39.866%0.65818%0.183SC*.Hα-helixtrans-62.7-50.9179176-94.5000110.8D336 Y340 Y341 E342D336-F338 PolarHBondContact O-N 3.3Å; F338-Y340 VanDerWaalsContact C-N 3.31Å; F338-Y340 PolarHBondContact O-N 3.49Å; F338-Y341 PolarHBondContact O-N 2.93Å; F338-E342 WeakPolarHBondContact O-CB 3.46Å; F338-E342 PolarHBondContact O-N 2.96Å
339T92.7Very high94.5Very high35 Ų3542.2 Ų42.222%0.21520%0.195CC..Hα-helixtrans-58-44.4177.5-53.20000111.2D336 Y341 E342 L343 F358D336-T339 PolarHBondContact O-N 3.11Å; T339-Y341 PolarHBondContact O-N 2.89Å; T339-E342 PolarHBondContact O-N 2.92Å; T339-L343 HydrophobicContact CG2-CD1 3.8Å; T339-L343 HydrophobicContact CG2-CG 4.23Å; T339-L343 WeakPolarHBondContact O-CB 3.38Å; T339-L343 WeakPolarHBondContact O-CG 3.3Å; T339-L343 PolarHBondContact O-N 3.23Å; T339-F358 HydrophobicContact CG2-CD2 4.23Å; T339-F358 HydrophobicContact CG2-CE2 4.2Å
340Y95Very high94.3Very high2 Ų242.8 Ų42.81%0.00820%0.202CC..Hα-helixtrans-56.6-49.5177.7168.4-114.9000112.7I173 H297 R315 I332 D336 R337 F338 L343 L344 F355 F358I173-Y340 HydrophobicContact CG2-CD1 4.2Å; I173-Y340 HydrophobicContact CG2-CE1 4.08Å; H297-Y340 AromaticContact CE1-CE2 3.54Å; H297-Y340 AromaticContact CE1-CZ 3.64Å; H297-Y340 PolarHBondContact CE1-OH 2.89Å; H297-Y340 AromaticContact NE2-CE2 3.67Å; H297-Y340 AromaticContact NE2-CZ 3.64Å; H297-Y340 PolarHBondContact NE2-OH 3.16Å; R315-Y340 PolarHBondContact NH1-OH 2.95Å; R315-Y340 VanDerWaalsContact NH1-OH 3.09Å; I332-Y340 HydrophobicContact CD1-CD2 3.7Å; I332-Y340 HydrophobicContact CD1-CE2 3.51Å; I332-Y340 HydrophobicContact CG2-CD2 4.19Å; I332-Y340 HydrophobicContact CG2-CG 4.08Å; D336-Y340 WeakPolarHBondContact O-CB 3.19Å; D336-Y340 PolarHBondContact O-N 3.14Å; R337-Y340 PolarHBondContact O-N 2.94Å; F338-Y340 VanDerWaalsContact C-N 3.31Å; F338-Y340 PolarHBondContact O-N 3.49Å; Y340-L343 PolarHBondContact O-N 2.97Å; Y340-L344 HydrophobicContact CD1-CD1 4.32Å; Y340-L344 HydrophobicContact CD2-CD1 4.23Å; Y340-L344 HydrophobicContact CD2-CG 4.47Å; Y340-L344 HydrophobicContact CE1-CD1 3.82Å; Y340-L344 HydrophobicContact CE2-CD1 3.72Å; Y340-L344 HydrophobicContact CE2-CG 4.19Å; Y340-L344 WeakPolarHBondContact O-CG 3.25Å; Y340-L344 PolarHBondContact O-N 3.38Å; Y340-F355 AromaticContact CD2-CE2 3.8Å; Y340-F355 HydrophobicContact CD2-CE2 3.8Å; Y340-F355 HydrophobicContact CD2-CZ 4.5Å; Y340-F355 AromaticContact CE2-CE2 3.78Å; Y340-F355 HydrophobicContact CE2-CE2 3.78Å; Y340-F355 HydrophobicContact CE2-CZ 4.07Å; Y340-F358 AromaticContact CD2-CE1 3.97Å; Y340-F358 HydrophobicContact CD2-CE1 3.97Å
341Y93.9Very high94.2Very high84 Ų8443 Ų4333%0.32920%0.203SC..Hα-helixtrans-70.1-37.7178.9-71.3-54.6000112.8I173 R337 F338 T339 L343 L344 K345I173-Y341 HydrophobicContact CG2-CE2 4.38Å; I173-Y341 PolarHBondContact O-OH 3.31Å; R337-Y341 HydrophobicContact CG-CD2 3.83Å; R337-Y341 HydrophobicContact CG-CE2 3.53Å; R337-Y341 VanDerWaalsContact O-CD2 3.23Å; R337-Y341 WeakPolarHBondContact O-CD2 3.33Å; R337-Y341 PolarHBondContact O-N 3.37Å; R337-Y341 VanDerWaalsContact O-N 3.13Å; F338-Y341 PolarHBondContact O-N 2.93Å; T339-Y341 PolarHBondContact O-N 2.89Å; Y341-L343 VanDerWaalsContact C-N 3.28Å; Y341-L343 PolarHBondContact O-N 3.24Å; Y341-L344 HydrophobicContact CD1-CD1 4.28Å; Y341-L344 PolarHBondContact O-N 2.94Å; Y341-K345 WeakPolarHBondContact O-CB 3.19Å; Y341-K345 PolarHBondContact O-N 3.38Å
342E91.2Very high94.1Very high53 Ų5342.8 Ų42.825%0.24820%0.202CC..Hα-helixtrans-62.4-38.4176.1-170.363.4-164.900111.3V83 F338 T339 K345 T346V83-E342 HydrophobicContact CG1-CG 3.95Å; F338-E342 WeakPolarHBondContact O-CB 3.46Å; F338-E342 PolarHBondContact O-N 2.96Å; T339-E342 PolarHBondContact O-N 2.92Å; E342-K345 WeakPolarHBondContact O-CB 3.29Å; E342-K345 PolarHBondContact O-N 3.36Å; E342-T346 WeakPolarHBondContact O-CB 3.44Å; E342-T346 PolarHBondContact O-N 2.91Å; E342-T346 PolarHBondContact O-OG1 3.41Å
343L94.2Very high93.9Very high2 Ų243.3 Ų43.31%0.0120%0.204CC..Hα-helixtrans-73-34.9176.9-69.6178.6000113.1V83 T339 Y340 Y341 K345 T346 A347 P354 F355 F358V83-L343 HydrophobicContact CG1-CD2 4.35Å; V83-L343 WeakPolarHBondContact O-CD2 3.5Å; T339-L343 HydrophobicContact CG2-CD1 3.8Å; T339-L343 HydrophobicContact CG2-CG 4.23Å; T339-L343 WeakPolarHBondContact O-CB 3.38Å; T339-L343 WeakPolarHBondContact O-CG 3.3Å; T339-L343 PolarHBondContact O-N 3.23Å; Y340-L343 PolarHBondContact O-N 2.97Å; Y341-L343 VanDerWaalsContact C-N 3.28Å; Y341-L343 PolarHBondContact O-N 3.24Å; L343-K345 VanDerWaalsContact C-N 3.34Å; L343-T346 PolarHBondContact O-N 3.37Å; L343-A347 WeakPolarHBondContact O-CB 3.36Å; L343-A347 PolarHBondContact O-N 2.96Å; L343-P354 HydrophobicContact CD2-CB 3.4Å; L343-P354 VanDerWaalsContact CD2-CB 3.4Å; L343-F355 HydrophobicContact CB-CB 4.32Å; L343-F355 HydrophobicContact CB-CD2 3.94Å; L343-F358 HydrophobicContact CD1-CB 3.32Å; L343-F358 HydrophobicContact CD1-CD1 4.16Å; L343-F358 HydrophobicContact CD1-CD2 3.85Å; L343-F358 HydrophobicContact CD1-CG 3.51Å
344L94.6Very high93.8Very high9 Ų941.1 Ų41.15%0.04720%0.195CC..Hα-helixtrans-64.6-39.9170.4-76.1172.7000111.8W298 V301 Y340 Y341 A347 N348 F355W298-L344 HydrophobicContact CB-CD2 4.47Å; V301-L344 HydrophobicContact CG1-CD1 4.31Å; Y340-L344 HydrophobicContact CD1-CD1 4.32Å; Y340-L344 HydrophobicContact CD2-CD1 4.23Å; Y340-L344 HydrophobicContact CD2-CG 4.47Å; Y340-L344 HydrophobicContact CE1-CD1 3.82Å; Y340-L344 HydrophobicContact CE2-CD1 3.72Å; Y340-L344 HydrophobicContact CE2-CG 4.19Å; Y340-L344 WeakPolarHBondContact O-CG 3.25Å; Y340-L344 PolarHBondContact O-N 3.38Å; Y341-L344 HydrophobicContact CD1-CD1 4.28Å; Y341-L344 PolarHBondContact O-N 2.94Å; L344-A347 WeakPolarHBondContact O-CB 3.43Å; L344-A347 PolarHBondContact O-N 3.46Å; L344-N348 PolarHBondContact O-N 3.07Å; L344-N348 PolarHBondContact O-OD1 3.08Å; L344-F355 HydrophobicContact CD2-CD2 4.05Å; L344-F355 HydrophobicContact CD2-CE1 4.22Å; L344-F355 HydrophobicContact CD2-CE2 3.63Å; L344-F355 HydrophobicContact CD2-CZ 3.75Å; L344-F355 HydrophobicContact CG-CD2 4.22Å; L344-F355 HydrophobicContact CG-CE2 3.85Å; L344-F355 HydrophobicContact CG-CZ 4.42Å
345K91.8Very high93.7Very high59 Ų5939.2 Ų39.226%0.25719%0.185SC..Hα-helixtrans-62-46.7173.4177.8178.9179.5169.50111.4D259 Y341 E342 L343 A347 N348 D349D259-K345 WeakPolarHBondContact OD2-CE 3.45Å; D259-K345 IonicContact OD2-NZ 3.98Å; D259-K345 PolarHBondContact OD2-NZ 2.67Å; Y341-K345 WeakPolarHBondContact O-CB 3.19Å; Y341-K345 PolarHBondContact O-N 3.38Å; E342-K345 WeakPolarHBondContact O-CB 3.29Å; E342-K345 PolarHBondContact O-N 3.36Å; L343-K345 VanDerWaalsContact C-N 3.34Å; K345-A347 VanDerWaalsContact C-N 3.28Å; K345-A347 PolarHBondContact O-N 3.45Å; K345-N348 WeakPolarHBondContact O-CB 3.47Å; K345-N348 PolarHBondContact O-N 3.05Å; K345-N348 VanDerWaalsContact O-N 3.12Å; K345-D349 PolarHBondContact O-N 3.44Å
346T91.8Very high93.7Very high8 Ų833.2 Ų33.25%0.04916%0.157CC..Hα-helixtrans-57.7-41.9175.3-58.80000111.7Y84 H101 E342 L343 D349 G350 D351 P354Y84-T346 HydrophobicContact CE1-CG2 4.3Å; H101-T346 WeakPolarHBondContact CE1-CG2 3.25Å; E342-T346 WeakPolarHBondContact O-CB 3.44Å; E342-T346 PolarHBondContact O-N 2.91Å; E342-T346 PolarHBondContact O-OG1 3.41Å; L343-T346 PolarHBondContact O-N 3.37Å; T346-D349 PolarHBondContact O-N 3.31Å; T346-G350 PolarHBondContact O-N 3.08Å; T346-D351 CarbonylContact C-O 3.56Å; T346-D351 HydrophobicContact CG2-CB 4.13Å; T346-D351 PolarHBondContact O-N 2.85Å; T346-D351 VanDerWaalsContact O-N 3.15Å; T346-P354 HydrophobicContact CG2-CG 4.34Å
347A94.7Very high93.8Very high0 Ų032 Ų320%015%0.15CC..Hα-helixtrans-64.1-42.2174.700000112.6W298 L343 L344 K345 D349 G350 D351 V352 F355W298-A347 VanDerWaalsContact CD1-CB 3.41Å; W298-A347 HydrophobicContact CD2-CB 4.41Å; W298-A347 HydrophobicContact CG-CB 4.04Å; L343-A347 WeakPolarHBondContact O-CB 3.36Å; L343-A347 PolarHBondContact O-N 2.96Å; L344-A347 WeakPolarHBondContact O-CB 3.43Å; L344-A347 PolarHBondContact O-N 3.46Å; K345-A347 VanDerWaalsContact C-N 3.28Å; K345-A347 PolarHBondContact O-N 3.45Å; A347-D349 PolarHBondContact O-N 3.25Å; A347-G350 PolarHBondContact O-N 3.04Å; A347-G350 VanDerWaalsContact O-N 3.12Å; A347-D351 VanDerWaalsContact CA-O 3.3Å; A347-D351 WeakPolarHBondContact CA-O 3.47Å; A347-D351 PolarHBondContact N-O 3.35Å; A347-V352 HydrophobicContact CB-CB 4.45Å; A347-V352 HydrophobicContact CB-CG1 3.96Å; A347-F355 HydrophobicContact CB-CB 4.34Å
348N93.4Very high93.8Very high46 Ų4627.4 Ų27.425%0.24613%0.133CC..Hα-helixtrans-63.6-31.1174.7-66.8-9.8000112.7W298 F302 L344 K345 G350W298-N348 PolarHBondContact NE1-OD1 2.84Å; F302-N348 WeakPolarHBondContact CD2-OD1 3.48Å; L344-N348 PolarHBondContact O-N 3.07Å; L344-N348 PolarHBondContact O-OD1 3.08Å; K345-N348 WeakPolarHBondContact O-CB 3.47Å; K345-N348 PolarHBondContact O-N 3.05Å; K345-N348 VanDerWaalsContact O-N 3.12Å; N348-G350 PolarHBondContact O-N 3.42Å
349D90.4Very high94.1Very high55 Ų5520.2 Ų20.229%0.29410%0.102SC..Hα-helixtrans-75.3-13.5176.9-74.7-27.7000112.9R4 I108 K345 T346 A347R4-D349 IonicContact CZ-OD1 3.31Å; R4-D349 IonicContact CZ-OD2 3.77Å; R4-D349 IonicContact NE-OD1 3.11Å; R4-D349 IonicContact NH2-OD1 2.76Å; R4-D349 PolarHBondContact NH2-OD1 3.3Å; R4-D349 IonicContact NH2-OD2 3.63Å; R4-D349 PolarHBondContact NH2-OD2 2.95Å; I108-D349 WeakPolarHBondContact CD1-O 3.47Å; I108-D349 VanDerWaalsContact CG2-O 3.25Å; I108-D349 WeakPolarHBondContact CG2-O 3.44Å; K345-D349 PolarHBondContact O-N 3.44Å; T346-D349 PolarHBondContact O-N 3.31Å; A347-D349 PolarHBondContact O-N 3.25Å
350G91.1Very high94.3Very high18 Ų1818.6 Ų18.619%0.1869%0.092CC..THydrogen-bonded Turntrans122.8-2.3172.700000115.3T346 A347 N348T346-G350 PolarHBondContact O-N 3.08Å; A347-G350 PolarHBondContact O-N 3.04Å; A347-G350 VanDerWaalsContact O-N 3.12Å; N348-G350 PolarHBondContact O-N 3.42Å
351D93.5Very high94.3Very high5 Ų521.2 Ų21.23%0.02710%0.103CC..  trans-113.896.7175.7-174.49.7000111.9H101 T104 I108 T346 A347 R353 P354H101-D351 IonicContact CE1-OD2 3.14Å; H101-D351 IonicContact CG-OD2 2.79Å; H101-D351 IonicContact ND1-OD2 3.84Å; H101-D351 PolarHBondContact ND1-OD2 3.45Å; T104-D351 HydrophobicContact CG2-CB 3.85Å; I108-D351 HydrophobicContact CD1-CB 4.41Å; T346-D351 CarbonylContact C-O 3.56Å; T346-D351 HydrophobicContact CG2-CB 4.13Å; T346-D351 PolarHBondContact O-N 2.85Å; T346-D351 VanDerWaalsContact O-N 3.15Å; A347-D351 VanDerWaalsContact CA-O 3.3Å; A347-D351 WeakPolarHBondContact CA-O 3.47Å; A347-D351 PolarHBondContact N-O 3.35Å; D351-R353 PolarHBondContact OD1-N 3.02Å; D351-P354 VanDerWaalsContact CG-CD 3.48Å; D351-P354 WeakPolarHBondContact OD1-CD 3.34Å
352V95.1Very high94.4Very high3 Ų317.2 Ų17.22%0.0189%0.087CC..  trans-84.4-16-177.9-64.60000113.7L295 W298 A347 F355 I356 V422 Y424L295-V352 HydrophobicContact CD2-CB 4.13Å; L295-V352 HydrophobicContact CD2-CG1 4.36Å; L295-V352 HydrophobicContact CD2-CG2 3.99Å; W298-V352 HydrophobicContact CD2-CG1 4.11Å; W298-V352 HydrophobicContact CE3-CG1 4.06Å; W298-V352 HydrophobicContact CH2-CG1 4.33Å; W298-V352 HydrophobicContact CZ2-CG1 4.35Å; W298-V352 HydrophobicContact CZ3-CG1 4.17Å; A347-V352 HydrophobicContact CB-CB 4.45Å; A347-V352 HydrophobicContact CB-CG1 3.96Å; V352-F355 WeakPolarHBondContact O-CB 3.19Å; V352-F355 PolarHBondContact O-N 2.84Å; V352-F355 VanDerWaalsContact O-N 3.1Å; V352-I356 HydrophobicContact CG2-CD1 4.25Å; V352-I356 PolarHBondContact O-N 3.47Å; V352-I356 VanDerWaalsContact O-N 3.09Å; V352-V422 HydrophobicContact CB-CG1 4.39Å; V352-V422 HydrophobicContact CG1-CG1 3.67Å; V352-V422 HydrophobicContact CG2-CG1 3.84Å; V352-Y424 HydrophobicContact CG2-CD1 4.3Å; V352-Y424 HydrophobicContact CG2-CD2 3.9Å; V352-Y424 HydrophobicContact CG2-CG 3.66Å
353R94.7Very high94.6Very high17 Ų1714.7 Ų14.76%0.0648%0.076CC..Hα-helixtrans-63.4-42.3-171.3-52.3-173.9-168.2143.60.3112.9E100 M124 D351 F355 I356 R357 Y424E100-R353 IonicContact OE1-CZ 2.9Å; E100-R353 IonicContact OE1-NH1 3.15Å; E100-R353 PolarHBondContact OE1-NH1 3.04Å; E100-R353 IonicContact OE2-NH1 3.73Å; E100-R353 PolarHBondContact OE2-NH1 3.23Å; E100-R353 VanDerWaalsContact OE2-NH1 3.14Å; M124-R353 PolarHBondContact SD-NH1 2.95Å; M124-R353 PolarHBondContact SD-NH2 3.35Å; D351-R353 PolarHBondContact OD1-N 3.02Å; R353-F355 PolarHBondContact O-N 3.29Å; R353-I356 PolarHBondContact O-N 3.21Å; R353-R357 WeakPolarHBondContact O-CB 3.29Å; R353-R357 VanDerWaalsContact O-CG 3.3Å; R353-R357 WeakPolarHBondContact O-CG 3.33Å; R353-R357 PolarHBondContact O-N 3.29Å; R353-Y424 HydrophobicContact CG-CD2 3.69Å; R353-Y424 HydrophobicContact CG-CE2 3.76Å
354P94.9Very high94.7Very high3 Ų315.9 Ų15.92%0.0198%0.081CC..Hα-helixtrans-55.9-37.9174.4-29.739.6000113Y84 L343 T346 D351 F358Y84-P354 HydrophobicContact CD1-CB 4.44Å; Y84-P354 HydrophobicContact CD1-CG 4.42Å; L343-P354 HydrophobicContact CD2-CB 3.4Å; L343-P354 VanDerWaalsContact CD2-CB 3.4Å; T346-P354 HydrophobicContact CG2-CG 4.34Å; D351-P354 VanDerWaalsContact CG-CD 3.48Å; D351-P354 WeakPolarHBondContact OD1-CD 3.34Å; P354-F358 WeakPolarHBondContact O-CB 3.49Å; P354-F358 PolarHBondContact O-N 3.19Å
355F96.3Very high94.8Very high1 Ų117.8 Ų17.80%0.0049%0.088CC..Hα-helixtrans-69.8-43.7177.3-173.9-105.7000112.5A294 H297 W298 Y340 L343 L344 A347 V352 R353 R357 F358 I359A294-F355 HydrophobicContact CB-CD1 4.2Å; A294-F355 HydrophobicContact CB-CE1 4.21Å; A294-F355 WeakPolarHBondContact O-CE1 3.23Å; H297-F355 HydrophobicContact CB-CE1 4.32Å; H297-F355 AromaticContact CE1-CZ 3.63Å; H297-F355 AromaticContact CG-CZ 3.93Å; H297-F355 AromaticContact ND1-CE1 3.63Å; H297-F355 AromaticContact ND1-CZ 3.29Å; H297-F355 VanDerWaalsContact ND1-CZ 3.29Å; H297-F355 WeakPolarHBondContact ND1-CZ 3.27Å; W298-F355 HydrophobicContact CB-CD1 4.15Å; W298-F355 HydrophobicContact CB-CE1 4.13Å; Y340-F355 AromaticContact CD2-CE2 3.8Å; Y340-F355 HydrophobicContact CD2-CE2 3.8Å; Y340-F355 HydrophobicContact CD2-CZ 4.5Å; Y340-F355 AromaticContact CE2-CE2 3.78Å; Y340-F355 HydrophobicContact CE2-CE2 3.78Å; Y340-F355 HydrophobicContact CE2-CZ 4.07Å; L343-F355 HydrophobicContact CB-CB 4.32Å; L343-F355 HydrophobicContact CB-CD2 3.94Å; L344-F355 HydrophobicContact CD2-CD2 4.05Å; L344-F355 HydrophobicContact CD2-CE1 4.22Å; L344-F355 HydrophobicContact CD2-CE2 3.63Å; L344-F355 HydrophobicContact CD2-CZ 3.75Å; L344-F355 HydrophobicContact CG-CD2 4.22Å; L344-F355 HydrophobicContact CG-CE2 3.85Å; L344-F355 HydrophobicContact CG-CZ 4.42Å; A347-F355 HydrophobicContact CB-CB 4.34Å; V352-F355 WeakPolarHBondContact O-CB 3.19Å; V352-F355 PolarHBondContact O-N 2.84Å; V352-F355 VanDerWaalsContact O-N 3.1Å; R353-F355 PolarHBondContact O-N 3.29Å; F355-R357 VanDerWaalsContact C-N 3.33Å; F355-R357 PolarHBondContact O-N 3.28Å; F355-F358 HydrophobicContact CE2-CD1 4.39Å; F355-F358 WeakPolarHBondContact O-CB 3.47Å; F355-F358 PolarHBondContact O-N 3.48Å; F355-I359 HydrophobicContact CD1-CG1 4.39Å; F355-I359 HydrophobicContact CE1-CD1 4.29Å; F355-I359 HydrophobicContact CE1-CG1 3.9Å; F355-I359 HydrophobicContact CE2-CD1 4.21Å; F355-I359 HydrophobicContact CE2-CG1 4.47Å; F355-I359 HydrophobicContact CZ-CD1 3.81Å; F355-I359 HydrophobicContact CZ-CG1 3.93Å; F355-I359 PolarHBondContact O-N 3.07Å
356I96.9Very high95Very high8 Ų815.1 Ų15.14%0.0418%0.076CC..Hα-helixtrans-55.4-50.1174.9-68.8171.3000110.7E291 A294 L295 V352 R353 F358 I359 A360 Y424E291-I356 HydrophobicContact CB-CG2 4.39Å; E291-I356 HydrophobicContact CG-CG2 3.73Å; A294-I356 HydrophobicContact CB-CB 4.35Å; A294-I356 HydrophobicContact CB-CG1 3.96Å; L295-I356 HydrophobicContact CD2-CD1 4.13Å; L295-I356 HydrophobicContact CG-CD1 4.2Å; V352-I356 HydrophobicContact CG2-CD1 4.25Å; V352-I356 PolarHBondContact O-N 3.47Å; V352-I356 VanDerWaalsContact O-N 3.09Å; R353-I356 PolarHBondContact O-N 3.21Å; I356-F358 VanDerWaalsContact C-N 3.29Å; I356-F358 PolarHBondContact O-N 3.08Å; I356-I359 PolarHBondContact O-N 2.83Å; I356-A360 PolarHBondContact O-N 3.06Å; I356-Y424 HydrophobicContact CD1-CD1 4.44Å; I356-Y424 HydrophobicContact CD1-CD2 4.46Å; I356-Y424 HydrophobicContact CD1-CE1 3.83Å; I356-Y424 HydrophobicContact CD1-CE2 3.88Å
357R95.8Very high95.1Very high6 Ų614.8 Ų14.82%0.0237%0.074CC..Hα-helixtrans-60.6-38178.3-72.3175.1-169.1130.811.6112.9V87 D131 R353 F355 A360 K361V87-R357 HydrophobicContact CB-CB 4.09Å; V87-R357 HydrophobicContact CG1-CB 3.72Å; V87-R357 HydrophobicContact CG1-CG 4.26Å; V87-R357 WeakPolarHBondContact CG1-O 3.31Å; V87-R357 HydrophobicContact CG2-CB 3.46Å; V87-R357 VanDerWaalsContact CG2-CB 3.46Å; V87-R357 HydrophobicContact CG2-CG 4.24Å; D131-R357 VanDerWaalsContact CG-NH2 3.34Å; D131-R357 IonicContact OD1-CZ 3.83Å; D131-R357 VanDerWaalsContact OD1-CZ 3.31Å; D131-R357 IonicContact OD1-NE 3.49Å; D131-R357 PolarHBondContact OD1-NE 2.94Å; D131-R357 IonicContact OD1-NH2 3.58Å; D131-R357 PolarHBondContact OD1-NH2 3.44Å; D131-R357 VanDerWaalsContact OD1-NH2 3.11Å; D131-R357 IonicContact OD2-CZ 2.74Å; D131-R357 IonicContact OD2-NE 3.25Å; D131-R357 IonicContact OD2-NH2 2.85Å; D131-R357 PolarHBondContact OD2-NH2 3.47Å; R353-R357 WeakPolarHBondContact O-CB 3.29Å; R353-R357 VanDerWaalsContact O-CG 3.3Å; R353-R357 WeakPolarHBondContact O-CG 3.33Å; R353-R357 PolarHBondContact O-N 3.29Å; F355-R357 VanDerWaalsContact C-N 3.33Å; F355-R357 PolarHBondContact O-N 3.28Å; R357-A360 WeakPolarHBondContact O-CB 3.49Å; R357-A360 PolarHBondContact O-N 3.01Å; R357-K361 PolarHBondContact O-N 3.33Å
358F96.4Very high95.1Very high11 Ų1117 Ų175%0.0489%0.086CC..Hα-helixtrans-64.5-42.3175.3172.2-101.9000112.5I332 D336 T339 Y340 L343 P354 F355 I356 A360 K361 C362I332-F358 HydrophobicContact CD1-CE1 4.2Å; I332-F358 HydrophobicContact CG1-CE1 4.03Å; I332-F358 HydrophobicContact CG2-CE1 4.04Å; I332-F358 HydrophobicContact CG2-CZ 3.95Å; D336-F358 HydrophobicContact CB-CE2 3.99Å; D336-F358 HydrophobicContact CB-CZ 3.87Å; T339-F358 HydrophobicContact CG2-CD2 4.23Å; T339-F358 HydrophobicContact CG2-CE2 4.2Å; Y340-F358 AromaticContact CD2-CE1 3.97Å; Y340-F358 HydrophobicContact CD2-CE1 3.97Å; L343-F358 HydrophobicContact CD1-CB 3.32Å; L343-F358 HydrophobicContact CD1-CD1 4.16Å; L343-F358 HydrophobicContact CD1-CD2 3.85Å; L343-F358 HydrophobicContact CD1-CG 3.51Å; P354-F358 WeakPolarHBondContact O-CB 3.49Å; P354-F358 PolarHBondContact O-N 3.19Å; F355-F358 HydrophobicContact CE2-CD1 4.39Å; F355-F358 WeakPolarHBondContact O-CB 3.47Å; F355-F358 PolarHBondContact O-N 3.48Å; I356-F358 VanDerWaalsContact C-N 3.29Å; I356-F358 PolarHBondContact O-N 3.08Å; F358-A360 VanDerWaalsContact C-N 3.33Å; F358-K361 PolarHBondContact O-N 3.3Å; F358-C362 PolarHBondContact O-N 3.5Å; F358-C362 PolarHBondContact O-SG 2.84Å
359I97.6Very high95.2Very high0 Ų016.8 Ų16.80%08%0.083CC..Hα-helixtrans-63.9-41172.7-60.5-50.3000110.6I290 A294 M318 A330 I332 F355 I356 K361 C362 T363I290-I359 HydrophobicContact CG2-CG2 4.23Å; A294-I359 HydrophobicContact CB-CB 3.94Å; A294-I359 HydrophobicContact CB-CG1 3.74Å; A294-I359 HydrophobicContact CB-CG2 4.3Å; M318-I359 HydrophobicContact CE-CD1 4.47Å; M318-I359 HydrophobicContact CG-CG2 4.49Å; M318-I359 HydrophobicContact SD-CD1 3.61Å; M318-I359 HydrophobicContact SD-CG1 4Å; M318-I359 HydrophobicContact SD-CG2 3.76Å; A330-I359 HydrophobicContact CB-CG2 4.4Å; I332-I359 HydrophobicContact CD1-CD1 3.86Å; I332-I359 HydrophobicContact CG1-CD1 4.3Å; F355-I359 HydrophobicContact CD1-CG1 4.39Å; F355-I359 HydrophobicContact CE1-CD1 4.29Å; F355-I359 HydrophobicContact CE1-CG1 3.9Å; F355-I359 HydrophobicContact CE2-CD1 4.21Å; F355-I359 HydrophobicContact CE2-CG1 4.47Å; F355-I359 HydrophobicContact CZ-CD1 3.81Å; F355-I359 HydrophobicContact CZ-CG1 3.93Å; F355-I359 PolarHBondContact O-N 3.07Å; I356-I359 PolarHBondContact O-N 2.83Å; I359-K361 VanDerWaalsContact C-N 3.33Å; I359-K361 PolarHBondContact O-N 3.46Å; I359-C362 WeakPolarHBondContact O-CB 3.42Å; I359-C362 PolarHBondContact O-N 2.83Å; I359-C362 VanDerWaalsContact O-N 3.1Å; I359-T363 PolarHBondContact O-N 3.28Å; I359-T363 PolarHBondContact O-OG1 2.71Å; I359-T363 VanDerWaalsContact O-OG1 3.07Å
360A96.6Very high95.4Very high1 Ų114.6 Ų14.61%0.0087%0.071CC..Hα-helixtrans-55.4-47.4174.700000112I134 L135 I138 I290 I356 R357 F358 C362 T363 E364I134-A360 HydrophobicContact CG2-CB 4.25Å; L135-A360 HydrophobicContact CD2-CB 4.47Å; I138-A360 HydrophobicContact CD1-CB 3.76Å; I138-A360 WeakPolarHBondContact CD1-O 3.35Å; I290-A360 HydrophobicContact CD1-CB 4.42Å; I290-A360 HydrophobicContact CG2-CB 3.78Å; I356-A360 PolarHBondContact O-N 3.06Å; R357-A360 WeakPolarHBondContact O-CB 3.49Å; R357-A360 PolarHBondContact O-N 3.01Å; F358-A360 VanDerWaalsContact C-N 3.33Å; A360-C362 VanDerWaalsContact C-N 3.35Å; A360-C362 PolarHBondContact O-N 2.85Å; A360-T363 PolarHBondContact O-N 3.12Å; A360-E364 WeakPolarHBondContact O-CB 3.5Å; A360-E364 PolarHBondContact O-N 3.43Å
361K95.2Very high95.5Very high57 Ų5715.3 Ų15.325%0.2487%0.071CC..Hα-helixtrans-61.8-39.4175.4-174.4-178-174.11790112.8H86 R357 F358 I359 R365H86-K361 PolarHBondContact ND1-NZ 2.97Å; H86-K361 VanDerWaalsContact ND1-NZ 3.12Å; H86-K361 WeakPolarHBondContact O-CD 3.44Å; H86-K361 PolarHBondContact O-NZ 3.4Å; R357-K361 PolarHBondContact O-N 3.33Å; F358-K361 PolarHBondContact O-N 3.3Å; I359-K361 VanDerWaalsContact C-N 3.33Å; I359-K361 PolarHBondContact O-N 3.46Å; K361-R365 VanDerWaalsContact O-CB 3.32Å; K361-R365 WeakPolarHBondContact O-CB 3.19Å; K361-R365 PolarHBondContact O-N 2.82Å
362C96.7Very high95.6Very high0 Ų020.8 Ų20.80%010%0.096CC..Hα-helixtrans-65.9-40.1176.3-66.40000111.7A330 F358 I359 A360 T366A330-C362 HydrophobicContact CB-CB 4Å; F358-C362 PolarHBondContact O-N 3.5Å; F358-C362 PolarHBondContact O-SG 2.84Å; I359-C362 WeakPolarHBondContact O-CB 3.42Å; I359-C362 PolarHBondContact O-N 2.83Å; I359-C362 VanDerWaalsContact O-N 3.1Å; A360-C362 VanDerWaalsContact C-N 3.35Å; A360-C362 PolarHBondContact O-N 2.85Å; C362-T366 PolarHBondContact O-N 3.37Å; C362-T366 PolarHBondContact O-OG1 3.22Å
363T96Very high95.4Very high0 Ų021.7 Ų21.70%010%0.104CC..Hα-helixtrans-66.4-45.8175.1-55.60000111.5I290 L327 I359 A360 R365 T366 L367I290-T363 HydrophobicContact CD1-CG2 4.2Å; L327-T363 HydrophobicContact CB-CG2 4.34Å; L327-T363 HydrophobicContact CD2-CG2 3.81Å; I359-T363 PolarHBondContact O-N 3.28Å; I359-T363 PolarHBondContact O-OG1 2.71Å; I359-T363 VanDerWaalsContact O-OG1 3.07Å; A360-T363 PolarHBondContact O-N 3.12Å; T363-R365 VanDerWaalsContact C-N 3.33Å; T363-R365 PolarHBondContact O-N 3.27Å; T363-T366 WeakPolarHBondContact O-CB 3.4Å; T363-T366 PolarHBondContact O-N 3.09Å; T363-T366 VanDerWaalsContact O-N 3.15Å; T363-L367 PolarHBondContact O-N 3.1Å
364E95.8Very high95.2Very high27 Ų2721 Ų2113%0.12610%0.102CC..Hα-helixtrans-58.9-44.9177.8-171.7178.5-156.600111.5I138 K141 A360 T366 L367 D368I138-E364 HydrophobicContact CD1-CB 4.09Å; I138-E364 HydrophobicContact CG1-CB 3.92Å; I138-E364 HydrophobicContact CG1-CG 4.11Å; K141-E364 HydrophobicContact CD-CG 3.99Å; K141-E364 VanDerWaalsContact NZ-CG 3.31Å; K141-E364 IonicContact NZ-OE1 3.7Å; K141-E364 PolarHBondContact NZ-OE1 3.06Å; A360-E364 WeakPolarHBondContact O-CB 3.5Å; A360-E364 PolarHBondContact O-N 3.43Å; E364-T366 VanDerWaalsContact C-N 3.29Å; E364-T366 PolarHBondContact O-N 3.23Å; E364-L367 WeakPolarHBondContact O-CA 3.4Å; E364-L367 WeakPolarHBondContact O-CB 3.44Å; E364-L367 PolarHBondContact O-N 3.1Å; E364-D368 PolarHBondContact O-N 3.02Å
365R95.8Very high95Very high49 Ų4923 Ų2319%0.18512%0.119CC..Hα-helixtrans-56.6-42.9175.4-174.1-167.6-61.7157.6-12.1111.9D336 K361 T363 D368 E369D336-R365 IonicContact OD1-NH2 2.75Å; D336-R365 IonicContact OD2-CZ 2.84Å; D336-R365 IonicContact OD2-NH1 2.83Å; D336-R365 PolarHBondContact OD2-NH1 3.49Å; D336-R365 IonicContact OD2-NH2 2.96Å; D336-R365 PolarHBondContact OD2-NH2 3.36Å; K361-R365 VanDerWaalsContact O-CB 3.32Å; K361-R365 WeakPolarHBondContact O-CB 3.19Å; K361-R365 PolarHBondContact O-N 2.82Å; T363-R365 VanDerWaalsContact C-N 3.33Å; T363-R365 PolarHBondContact O-N 3.27Å; R365-D368 PolarHBondContact O-N 3.24Å; R365-E369 WeakPolarHBondContact O-CG 3.35Å; R365-E369 PolarHBondContact O-N 3.28Å
366T95.6Very high94.3Very high3 Ų327.7 Ų27.72%0.01814%0.143CC..Hα-helixtrans-63.9-42175.2-63.20000111.7H162 P328 P329 C362 T363 E364 E369 Y370H162-T366 WeakPolarHBondContact ND1-CG2 3.47Å; P328-T366 HydrophobicContact CB-CG2 3.66Å; P328-T366 HydrophobicContact CG-CG2 3.94Å; P329-T366 WeakPolarHBondContact O-CB 3.25Å; P329-T366 WeakPolarHBondContact O-CG2 3.27Å; P329-T366 PolarHBondContact O-OG1 3.24Å; C362-T366 PolarHBondContact O-N 3.37Å; C362-T366 PolarHBondContact O-OG1 3.22Å; T363-T366 WeakPolarHBondContact O-CB 3.4Å; T363-T366 PolarHBondContact O-N 3.09Å; T363-T366 VanDerWaalsContact O-N 3.15Å; E364-T366 VanDerWaalsContact C-N 3.29Å; E364-T366 PolarHBondContact O-N 3.23Å; T366-E369 PolarHBondContact O-N 3.46Å; T366-Y370 HydrophobicContact CG2-CD2 4.45Å; T366-Y370 HydrophobicContact CG2-CE1 4.2Å; T366-Y370 HydrophobicContact CG2-CE2 4.06Å; T366-Y370 PolarHBondContact O-N 3.2Å; T366-Y370 VanDerWaalsContact O-N 3.09Å
367L94.3Very high93.2Very high0 Ų028.3 Ų28.30%015%0.146CC..Hα-helixtrans-60.6-45.8176.1-83.3164.2000111.7I138 K141 V142 F145 P328 T363 E364 Y370 L371I138-L367 HydrophobicContact CG2-CD1 3.67Å; K141-L367 HydrophobicContact CB-CB 4.42Å; K141-L367 HydrophobicContact CB-CD1 4.14Å; V142-L367 HydrophobicContact CG2-CD1 3.61Å; V142-L367 HydrophobicContact CG2-CD2 4.15Å; F145-L367 HydrophobicContact CB-CD2 3.81Å; F145-L367 HydrophobicContact CD1-CD2 4.28Å; F145-L367 HydrophobicContact CG-CD2 4.01Å; P328-L367 HydrophobicContact CG-CD1 4.48Å; P328-L367 HydrophobicContact CG-CD2 3.72Å; P328-L367 HydrophobicContact CG-CG 3.57Å; T363-L367 PolarHBondContact O-N 3.1Å; E364-L367 WeakPolarHBondContact O-CA 3.4Å; E364-L367 WeakPolarHBondContact O-CB 3.44Å; E364-L367 PolarHBondContact O-N 3.1Å; L367-Y370 WeakPolarHBondContact O-CB 3.27Å; L367-Y370 PolarHBondContact O-N 3.22Å; L367-Y370 VanDerWaalsContact O-N 3.13Å; L367-L371 VanDerWaalsContact O-CG 3.31Å; L367-L371 WeakPolarHBondContact O-CG 3.43Å; L367-L371 PolarHBondContact O-N 3.01Å
368D95.5Very high92.1Very high47 Ų4732.9 Ų32.925%0.25117%0.168SC..Hα-helixtrans-60.7-47.2178.5-70-22.9000111K141 E364 R365 Y370 L371 E372K141-D368 VanDerWaalsContact CD-OD1 3.29Å; K141-D368 WeakPolarHBondContact CD-OD1 3.48Å; K141-D368 WeakPolarHBondContact CE-OD1 3.43Å; K141-D368 IonicContact NZ-OD1 2.72Å; K141-D368 PolarHBondContact NZ-OD1 3.45Å; K141-D368 IonicContact NZ-OD2 3.73Å; K141-D368 PolarHBondContact NZ-OD2 3.2Å; E364-D368 PolarHBondContact O-N 3.02Å; R365-D368 PolarHBondContact O-N 3.24Å; D368-Y370 PolarHBondContact O-N 3.22Å; D368-L371 PolarHBondContact O-N 3.38Å; D368-E372 WeakPolarHBondContact O-CB 3.45Å; D368-E372 VanDerWaalsContact O-CG 3.27Å; D368-E372 WeakPolarHBondContact O-CG 3.45Å; D368-E372 PolarHBondContact O-N 2.93Å
369E95.2Very high90.7Very high41 Ų4138.2 Ų38.219%0.19219%0.193CC..Hα-helixtrans-58.2-33.6175.9-71.2179.7-155.300111.6H162 K165 K333 R365 T366 A373H162-E369 IonicContact CE1-OE2 3.92Å; H162-E369 PolarHBondContact CE1-OE2 3.46Å; H162-E369 VanDerWaalsContact CE1-OE2 3.25Å; H162-E369 IonicContact NE2-OE2 3.65Å; H162-E369 PolarHBondContact NE2-OE2 3.37Å; K165-E369 IonicContact NZ-OE2 2.83Å; K165-E369 PolarHBondContact NZ-OE2 2.93Å; K333-E369 IonicContact NZ-OE1 3.27Å; K333-E369 PolarHBondContact NZ-OE1 3.47Å; R365-E369 WeakPolarHBondContact O-CG 3.35Å; R365-E369 PolarHBondContact O-N 3.28Å; T366-E369 PolarHBondContact O-N 3.46Å; E369-A373 VanDerWaalsContact O-CB 3.29Å; E369-A373 WeakPolarHBondContact O-CB 3.49Å; E369-A373 PolarHBondContact O-N 2.82Å
370Y93.6Very high88.9Confident9 Ų941.2 Ų41.24%0.03521%0.211CC..Hα-helixtrans-75.4-43.4175.3-73.90000113.7F145 L155 A158 K159 H162 P328 T366 L367 D368 A373 A374F145-Y370 HydrophobicContact CD2-CD2 4.15Å; F145-Y370 AromaticContact CE2-CD2 3.6Å; F145-Y370 HydrophobicContact CE2-CD2 3.6Å; F145-Y370 HydrophobicContact CE2-CE2 4.38Å; F145-Y370 HydrophobicContact CE2-CG 4.38Å; F145-Y370 HydrophobicContact CZ-CD2 4.14Å; L155-Y370 HydrophobicContact CD1-CD1 4.32Å; L155-Y370 HydrophobicContact CD1-CD2 3.96Å; L155-Y370 HydrophobicContact CD1-CG 3.82Å; A158-Y370 HydrophobicContact CB-CD1 3.76Å; A158-Y370 HydrophobicContact CB-CE1 4.04Å; K159-Y370 HydrophobicContact CG-CE1 4.23Å; K159-Y370 HydrophobicContact CG-CE2 4.15Å; H162-Y370 HydrophobicContact CB-CE1 4.26Å; H162-Y370 AromaticContact CE1-CE1 3.64Å; H162-Y370 AromaticContact CG-CE1 3.66Å; H162-Y370 AromaticContact ND1-CE1 3.39Å; H162-Y370 WeakPolarHBondContact ND1-CE1 3.42Å; H162-Y370 AromaticContact ND1-CZ 3.86Å; P328-Y370 HydrophobicContact CB-CD2 4.11Å; P328-Y370 HydrophobicContact CB-CE2 3.64Å; T366-Y370 HydrophobicContact CG2-CD2 4.45Å; T366-Y370 HydrophobicContact CG2-CE1 4.2Å; T366-Y370 HydrophobicContact CG2-CE2 4.06Å; T366-Y370 PolarHBondContact O-N 3.2Å; T366-Y370 VanDerWaalsContact O-N 3.09Å; L367-Y370 WeakPolarHBondContact O-CB 3.27Å; L367-Y370 PolarHBondContact O-N 3.22Å; L367-Y370 VanDerWaalsContact O-N 3.13Å; D368-Y370 PolarHBondContact O-N 3.22Å; Y370-A373 PolarHBondContact O-N 3.17Å; Y370-A374 PolarHBondContact O-N 3.31Å
371L94Very high86.9Confident33 Ų3346.5 Ų46.517%0.17323%0.234CC..Hα-helixtrans-64-43.4178-68.8173.2000110.9K141 Q144 F145 I148 L367 D368 A374 A375K141-L371 HydrophobicContact CB-CD1 4.04Å; K141-L371 HydrophobicContact CG-CD1 4.13Å; Q144-L371 HydrophobicContact CB-CD2 3.82Å; F145-L371 HydrophobicContact CB-CD2 4.13Å; I148-L371 HydrophobicContact CD1-CD2 3.86Å; L367-L371 VanDerWaalsContact O-CG 3.31Å; L367-L371 WeakPolarHBondContact O-CG 3.43Å; L367-L371 PolarHBondContact O-N 3.01Å; D368-L371 PolarHBondContact O-N 3.38Å; L371-A374 PolarHBondContact O-N 3.12Å; L371-A375 WeakPolarHBondContact O-CB 3.48Å; L371-A375 PolarHBondContact O-N 2.87Å
372E94.7Very high84.9Confident120 Ų12047 Ų4756%0.56125%0.245SC*.Hα-helixtrans-63.1-45.4176.8-72.7174.7-171.100111.8D368 A374 A375 I376D368-E372 WeakPolarHBondContact O-CB 3.45Å; D368-E372 VanDerWaalsContact O-CG 3.27Å; D368-E372 WeakPolarHBondContact O-CG 3.45Å; D368-E372 PolarHBondContact O-N 2.93Å; E372-A374 VanDerWaalsContact C-N 3.29Å; E372-A374 PolarHBondContact O-N 3.1Å; E372-A375 PolarHBondContact O-N 3.24Å; E372-I376 WeakPolarHBondContact O-CG1 3.32Å; E372-I376 PolarHBondContact O-N 3.26Å
373A92.4Very high82.6Confident23 Ų2352.9 Ų52.919%0.1928%0.276CS..Hα-helixtrans-60.8-38179.700000112.7A158 E369 Y370 N377A158-A373 HydrophobicContact CB-CB 3.71Å; E369-A373 VanDerWaalsContact O-CB 3.29Å; E369-A373 WeakPolarHBondContact O-CB 3.49Å; E369-A373 PolarHBondContact O-N 2.82Å; Y370-A373 PolarHBondContact O-N 3.17Å; A373-N377 PolarHBondContact O-N 3.33Å
374A90.1Very high80Confident3 Ų360.7 Ų60.73%0.02531%0.312CS..Hα-helixtrans-70.3-41.8174.700000111.9I148 Y370 L371 E372 N377 H378I148-A374 HydrophobicContact CD1-CB 3.51Å; I148-A374 HydrophobicContact CG1-CB 3.94Å; I148-A374 HydrophobicContact CG2-CB 3.75Å; Y370-A374 PolarHBondContact O-N 3.31Å; L371-A374 PolarHBondContact O-N 3.12Å; E372-A374 VanDerWaalsContact C-N 3.29Å; E372-A374 PolarHBondContact O-N 3.1Å; A374-N377 WeakPolarHBondContact O-CB 3.42Å; A374-N377 PolarHBondContact O-N 3.37Å; A374-H378 PolarHBondContact O-CD2 2.77Å; A374-H378 PolarHBondContact O-N 3.44Å
375A89.8Confident77.3Confident45 Ų4564.7 Ų64.737%0.37234%0.338SS..Hα-helixtrans-63.1-44.7179.700000113.1L371 E372 N377 H378 Q379L371-A375 WeakPolarHBondContact O-CB 3.48Å; L371-A375 PolarHBondContact O-N 2.87Å; E372-A375 PolarHBondContact O-N 3.24Å; A375-N377 PolarHBondContact O-N 2.99Å; A375-H378 PolarHBondContact O-N 3.1Å; A375-H378 VanDerWaalsContact O-N 3.12Å; A375-Q379 PolarHBondContact O-N 3.04Å
376I82.5Confident74.3Confident98 Ų9867.2 Ų67.250%0.50336%0.359SS..Hα-helixtrans-60.3-37.4178-67.3166.4000111E372 H378 Q379 T380E372-I376 WeakPolarHBondContact O-CG1 3.32Å; E372-I376 PolarHBondContact O-N 3.26Å; I376-H378 VanDerWaalsContact C-N 3.31Å; I376-H378 PolarHBondContact O-N 3.3Å; I376-Q379 PolarHBondContact O-N 3.18Å; I376-T380 HydrophobicContact CG2-CG2 4.42Å; I376-T380 PolarHBondContact O-N 2.79Å; I376-T380 PolarHBondContact O-OG1 2.94Å
377N74.1Confident71Confident22 Ų2277.9 Ų77.912%0.11840%0.399CS..Hα-helixtrans-67-32178.4-164.940.6000112.5D152 P153 G154 A373 A374 A375 T380 K381D152-N377 PolarHBondContact OD2-ND2 2.7Å; P153-N377 VanDerWaalsContact CD-ND2 3.35Å; P153-N377 WeakPolarHBondContact CD-ND2 3.33Å; G154-N377 PolarHBondContact N-ND2 3.16Å; A373-N377 PolarHBondContact O-N 3.33Å; A374-N377 WeakPolarHBondContact O-CB 3.42Å; A374-N377 PolarHBondContact O-N 3.37Å; A375-N377 PolarHBondContact O-N 2.99Å; N377-T380 WeakPolarHBondContact CA-OG1 3.04Å; N377-T380 PolarHBondContact O-OG1 2.89Å; N377-K381 WeakPolarHBondContact O-CG 3.45Å; N377-K381 PolarHBondContact O-N 3.3Å
378H72.7Confident67.8Low102 Ų10284.2 Ų84.247%0.47243%0.432SS..Hα-helixtrans-75.1-37.3173.4-69.6-65.1000112.7A374 A375 I376 K381 S382A374-H378 PolarHBondContact O-CD2 2.77Å; A374-H378 PolarHBondContact O-N 3.44Å; A375-H378 PolarHBondContact O-N 3.1Å; A375-H378 VanDerWaalsContact O-N 3.12Å; I376-H378 VanDerWaalsContact C-N 3.31Å; I376-H378 PolarHBondContact O-N 3.3Å; H378-K381 PolarHBondContact O-N 2.85Å; H378-S382 PolarHBondContact O-N 2.99Å
379Q67Low64.5Low123 Ų12388.2 Ų88.258%0.57546%0.46SS*.Hα-helixtrans-67.4-45.6176.7-70.8176.3-2.700112.2A375 I376 K381 S382 D383A375-Q379 PolarHBondContact O-N 3.04Å; I376-Q379 PolarHBondContact O-N 3.18Å; Q379-K381 VanDerWaalsContact C-N 3.27Å; Q379-K381 PolarHBondContact O-N 3.09Å; Q379-S382 CarbonylContact O-C 3.51Å; Q379-S382 WeakPolarHBondContact O-CA 3.2Å; Q379-S382 WeakPolarHBondContact O-CB 3.42Å; Q379-S382 PolarHBondContact O-N 3.48Å; Q379-D383 PolarHBondContact O-N 2.94Å
380T60.3Low61.2Low63 Ų6393.4 Ų93.439%0.38749%0.488SS..Hα-helixtrans-62-33.8176.145.10000112.7I376 N377 H384I376-T380 HydrophobicContact CG2-CG2 4.42Å; I376-T380 PolarHBondContact O-N 2.79Å; I376-T380 PolarHBondContact O-OG1 2.94Å; N377-T380 WeakPolarHBondContact CA-OG1 3.04Å; N377-T380 PolarHBondContact O-OG1 2.89Å; T380-H384 WeakPolarHBondContact O-CB 3.41Å; T380-H384 PolarHBondContact O-CD2 3.45Å; T380-H384 VanDerWaalsContact O-CD2 3.24Å; T380-H384 PolarHBondContact O-N 2.93Å; T380-H384 VanDerWaalsContact O-N 3.11Å
381K54.3Low57.9Low112 Ų112101.5 Ų101.549%0.48753%0.526SS..Hα-helixtrans-66.4-43.3168.7-76.6-180-179.9179.60111.9N377 H378 Q379 H384 V385N377-K381 WeakPolarHBondContact O-CG 3.45Å; N377-K381 PolarHBondContact O-N 3.3Å; H378-K381 PolarHBondContact O-N 2.85Å; Q379-K381 VanDerWaalsContact C-N 3.27Å; Q379-K381 PolarHBondContact O-N 3.09Å; K381-H384 PolarHBondContact O-N 3.19Å; K381-V385 VanDerWaalsContact O-CB 3.25Å; K381-V385 WeakPolarHBondContact O-CB 3.37Å; K381-V385 WeakPolarHBondContact O-CG2 3.4Å; K381-V385 PolarHBondContact O-N 3.2Å
382S53Low54.5Low68 Ų68104.5 Ų104.548%0.47655%0.55SS..Hα-helixtrans-62.5-45.2176.9-168.10000111.8H378 Q379 H384 V385 T386H378-S382 PolarHBondContact O-N 2.99Å; Q379-S382 CarbonylContact O-C 3.51Å; Q379-S382 WeakPolarHBondContact O-CA 3.2Å; Q379-S382 WeakPolarHBondContact O-CB 3.42Å; Q379-S382 PolarHBondContact O-N 3.48Å; S382-H384 VanDerWaalsContact C-N 3.31Å; S382-H384 PolarHBondContact O-N 3.29Å; S382-V385 CarbonylContact O-C 3.54Å; S382-V385 PolarHBondContact O-N 3.34Å; S382-T386 PolarHBondContact O-N 2.8Å; S382-T386 PolarHBondContact O-OG1 3.11Å
383D47.6Very low51.4Low122 Ų122105.4 Ų105.465%0.65256%0.563SS**Hα-helixtrans-65.6-33.5179.1-70.9-17.1000112.2Q379Q379-D383 PolarHBondContact O-N 2.94Å
384H41.9Very low48.1Very low165 Ų165111 Ų11176%0.76459%0.589SS**Hα-helixtrans-77.3-25.3171.3-82.2-59.8000113.9T380 K381 S382T380-H384 WeakPolarHBondContact O-CB 3.41Å; T380-H384 PolarHBondContact O-CD2 3.45Å; T380-H384 VanDerWaalsContact O-CD2 3.24Å; T380-H384 PolarHBondContact O-N 2.93Å; T380-H384 VanDerWaalsContact O-N 3.11Å; K381-H384 PolarHBondContact O-N 3.19Å; S382-H384 VanDerWaalsContact C-N 3.31Å; S382-H384 PolarHBondContact O-N 3.29Å
385V37.9Very low45.1Very low111 Ų111116.8 Ų116.867%0.67362%0.62SS**Hα-helixtrans-86.7-14.3177173.30000112.2K381 S382 R387K381-V385 VanDerWaalsContact O-CB 3.25Å; K381-V385 WeakPolarHBondContact O-CB 3.37Å; K381-V385 WeakPolarHBondContact O-CG2 3.4Å; K381-V385 PolarHBondContact O-N 3.2Å; S382-V385 CarbonylContact O-C 3.54Å; S382-V385 PolarHBondContact O-N 3.34Å; V385-R387 PolarHBondContact O-N 3.45Å
386T32.8Very low42.1Very low102 Ų102120.3 Ų120.363%0.62663%0.632SS**SBendtrans-8230.4178.3-36.10000113.8S382S382-T386 PolarHBondContact O-N 2.8Å; S382-T386 PolarHBondContact O-OG1 3.11Å
387R27.4Very low39.4Very low226 Ų226120.9 Ų120.985%0.85364%0.636SS**SBendtrans-138.664.8162.3-76.9-167.9174.6126.5-1.6110.9V385V385-R387 PolarHBondContact O-N 3.45Å
388I26.7Very low37Very low134 Ų134127.7 Ų127.769%0.68767%0.665SS**SBendtrans-154.2124.2140.4-78.1120.8000106.1I390I388-I390 HydrophobicContact CG2-CD1 4.18Å; I388-I390 HydrophobicContact CG2-CG1 3.93Å
389P25.6Very low34.8Very low130 Ų130131 Ų13184%0.84468%0.681SS**  trans-75.2125176.629-28.9000109.4
390I26Very low32.6Very low151 Ų151130.3 Ų130.377%0.77469%0.689SS**  trans-131.3122170.5-61.9179.4000109.6I388I388-I390 HydrophobicContact CG2-CD1 4.18Å; I388-I390 HydrophobicContact CG2-CG1 3.93Å
391E24.1Very low31Very low178 Ų178133.3 Ų133.383%0.83271%0.713SS**  trans-63.4136171.7-70.2166.6147.800112
392S24.3Very low29.4Very low96 Ų96133.1 Ų133.167%0.67173%0.726SS**  trans8.4123.1148.257.50000120.1
393V28.8Very low28.1Very low140 Ų140136.2 Ų136.285%0.84874%0.741SS**  trans-16199.2131.7-179.70000105.7
394L24.1Very low26.9Very low140 Ų140136.7 Ų136.773%0.73375%0.749SS**  56.2125.479.9-76.5173000117.3
395N26.3Very low26Very low125 Ų125138.5 Ų138.567%0.66876%0.755SS**  trans79.7142.8152.7-61.69.5000117.5
396D25.7Very low25.3Very low119 Ų119138.1 Ų138.164%0.63676%0.763SS**  cis-168.9159-5.2-108.2-30.7000108.3
397D26Very low24.8Very low110 Ų110138.9 Ų138.959%0.58877%0.768SS**  trans76.1116.3142.2-72.1-28000124.2
398K25.5Very low24.6Very low165 Ų165137.1 Ų137.172%0.71777%0.769SS**  62.2143.9121.5-64.7176.6-172.1168.30118.1
399E25.4Very low24.3Very low172 Ų172138 Ų13880%0.80477%0.769SS**  cis-165.2155.131.6-140.8161.3-140.700111
400S21.9Very low24.2Very low107 Ų107137 Ų13775%0.74877%0.766SS**  trans-73.3150.217647.40000114.6
401S25.1Very low23.9Very low126 Ų126139.2 Ų139.288%0.88177%0.77SS**  trans-162.1142.7137.146.20000113.6
402S22.3Very low23.9Very low109 Ų109136.2 Ų136.276%0.76277%0.768SS**  trans-87.4150.1-171.849.50000114.1
403V25.4Very low23.8Very low133 Ų133136.9 Ų136.981%0.80677%0.773SS**  trans-142.2135.3153.1-177.30000110.8
404T21.4Very low23.4Very low131 Ų131135.9 Ų135.980%0.80477%0.773SS**  trans-81.8151-177.242.40000113
405F23.5Very low23.5Very low204 Ų204134.5 Ų134.590%0.89578%0.775SS**  trans-117.9129.2172-82.1-87.2000110.8
406A23.3Very low23.4Very low102 Ų102134.6 Ų134.684%0.84379%0.785SS**  trans-104.1134.6169.800000109.6
407V22.3Very low23.6Very low119 Ų119134.1 Ų134.172%0.72179%0.791SS**  trans-100.2135.6-177.4174.50000108.7
408H23.2Very low23.6Very low189 Ų189134.4 Ų134.488%0.87580%0.802SS**  trans-131.1129.5164.3-108.6-67000110.8
409E20.5Very low23.8Very low151 Ų151129.7 Ų129.771%0.70679%0.793SS**  trans-68.5152.7178.2-59.7171.114200112.9
410S23.1Very low24.3Very low110 Ų110124.6 Ų124.677%0.76977%0.767SS**  trans-158.3155.1147.49.40000112.3
411K20.8Very low24.8Very low197 Ų197127.3 Ų127.386%0.85777%0.773SS**  trans-90.5176.7-157.7-67.5165.2171.1172.90114.3
412S22.3Very low25.5Very low115 Ų115122.8 Ų122.880%0.80474%0.741SS**  trans84.8150.7154.581.80000115.6
413S22.7Very low26.8Very low110 Ų110124.5 Ų124.577%0.76974%0.736SS**  cis-167149-17.336.40000106.9
414S20.8Very low28.1Very low120 Ų120119.8 Ų119.884%0.83970%0.704SS**  trans-63.7142.4-175.851.50000115.4
415S26.4Very low29.5Very low111 Ų111118.3 Ų118.378%0.77670%0.699SS**  trans-147.5141.814864.70000110.5
416S23.6Very low30.6Very low126 Ų126110.5 Ų110.588%0.88167%0.669SS**  trans-94.2141.1-169.266.60000112.2
417S29.8Very low31.7Very low110 Ų110106.4 Ų106.477%0.76963%0.634SS**  trans-129.4133.4162.41780000110.6
418S25.7Very low32.7Very low116 Ų116112.4 Ų112.481%0.81164%0.644SS**  trans-112.4122-171.6155.20000109.4
419A31.3Very low33.6Very low65 Ų65108.4 Ų108.454%0.53762%0.621SS.*SBendtrans-173.2-22.2152.100000111.4
420Y36.1Very low34.5Very low65 Ų65109.5 Ų109.526%0.25563%0.626SS.*  trans-9597.6173.6-59.3-82.3000109.1W298 K299 V422W298-Y420 HydrophobicContact CH2-CD1 4.37Å; K299-Y420 HydrophobicContact CG-CE1 4.48Å; Y420-V422 PolarHBondContact O-N 2.78Å
421N31.6Very low34.8Very low164 Ų164111 Ų11188%0.87762%0.621SS**  trans-76.259.1172.3-130.83.8000109.9
422V40.3Very low35.3Very low32 Ų32109.4 Ų109.419%0.19462%0.617CS.*  trans-115.2108.6169.1177.60000105.6W298 V352 Y420 Y424W298-V422 HydrophobicContact CH2-CG2 3.56Å; W298-V422 HydrophobicContact CZ2-CG2 4.1Å; W298-V422 HydrophobicContact CZ3-CG2 4.38Å; V352-V422 HydrophobicContact CB-CG1 4.39Å; V352-V422 HydrophobicContact CG1-CG1 3.67Å; V352-V422 HydrophobicContact CG2-CG1 3.84Å; Y420-V422 PolarHBondContact O-N 2.78Å; V422-Y424 PolarHBondContact O-N 2.72Å
423Q47.9Very low35.8Very low145 Ų145108.8 Ų108.868%0.67862%0.618SS**  trans-73.172.5172.7-72.9-173.4-12.300109.6
424Y52.9Low36.4Very low34 Ų34114.7 Ų114.713%0.13362%0.624CS.*  trans-117.3105.3168.1-179.5-100.9000109.1E291 L295 V352 R353 I356 V422 P426E291-Y424 VanDerWaalsContact CD-OH 3.25Å; E291-Y424 PolarHBondContact OE1-OH 2.88Å; L295-Y424 HydrophobicContact CD1-CD1 4.13Å; L295-Y424 HydrophobicContact CD1-CE1 4.04Å; V352-Y424 HydrophobicContact CG2-CD1 4.3Å; V352-Y424 HydrophobicContact CG2-CD2 3.9Å; V352-Y424 HydrophobicContact CG2-CG 3.66Å; R353-Y424 HydrophobicContact CG-CD2 3.69Å; R353-Y424 HydrophobicContact CG-CE2 3.76Å; I356-Y424 HydrophobicContact CD1-CD1 4.44Å; I356-Y424 HydrophobicContact CD1-CD2 4.46Å; I356-Y424 HydrophobicContact CD1-CE1 3.83Å; I356-Y424 HydrophobicContact CD1-CE2 3.88Å; V422-Y424 PolarHBondContact O-N 2.72Å; Y424-P426 HydrophobicContact CE1-CB 4.3Å
425S50.5Low37.2Very low99 Ų99111.7 Ų111.769%0.69261%0.612SS**PPolyproline II helixtrans-92.4127.4162.7-58.90000107.3
426P46.8Very low37.7Very low40 Ų40112.7 Ų112.726%0.2661%0.607SS.*PPolyproline II helixtrans-60.1150.9173.523.3-30.7000110.5M287 Y424 R428M287-P426 HydrophobicContact CE-CG 4.47Å; M287-P426 HydrophobicContact CG-CB 4.27Å; M287-P426 HydrophobicContact CG-CG 4.22Å; Y424-P426 HydrophobicContact CE1-CB 4.3Å; P426-R428 PolarHBondContact O-N 2.87Å
427P48.1Very low38.5Very low17 Ų17108.2 Ų108.211%0.1157%0.572CS.*PPolyproline II helixtrans-55.3133.3175-19.930.1000110.4E291 R429E291-P427 WeakPolarHBondContact OE1-CD 3.44Å; P427-R429 PolarHBondContact O-N 3.2Å
428R41.6Very low39.1Very low245 Ų245108.1 Ų108.193%0.92557%0.569SS**  trans-66.8103.2175.5-76.7-175.3174.8-175.2-0.1109.7P426 Q430P426-R428 PolarHBondContact O-N 2.87Å; R428-Q430 PolarHBondContact O-N 2.63Å
429R42.3Very low39.9Very low104 Ų104105.9 Ų105.939%0.39254%0.543SS..  trans-63.9131.5165-80.5-173.3173.4-143-7.8108.9D139 H288 P427 Q431D139-R429 IonicContact OD2-NH2 3.04Å; D139-R429 PolarHBondContact OD2-NH2 2.99Å; H288-R429 PolarHBondContact CD2-NH2 2.96Å; P427-R429 PolarHBondContact O-N 3.2Å; R429-Q431 PolarHBondContact O-N 2.94Å
430Q39.2Very low40.4Very low175 Ų175106.7 Ų106.782%0.81854%0.543SS*.  trans-56.6129.6161.5-69.1-179.97.200106.9R428 Q432R428-Q430 PolarHBondContact O-N 2.63Å; Q430-Q432 VanDerWaalsContact C-N 3.32Å; Q430-Q432 PolarHBondContact O-N 2.97Å
431Q30.4Very low40.9Very low140 Ų140107 Ų10765%0.65456%0.555SS**  trans-43.890.9-175.3-68.1175.7700111.7R429R429-Q431 PolarHBondContact O-N 2.94Å
432Q31.2Very low41.5Very low165 Ų165108.5 Ų108.577%0.77155%0.548SS*.  trans-109.9132.4163.3-76.2-174.22.500105.7Q430Q430-Q432 VanDerWaalsContact C-N 3.32Å; Q430-Q432 PolarHBondContact O-N 2.97Å
433A33.2Very low41.8Very low102 Ų102107.9 Ų107.984%0.84354%0.544SS*.SBendtrans-45.1138.7-166.200000113.6
434R33.7Very low41.9Very low233 Ų233101.6 Ų101.688%0.87952%0.516SS*.  trans2.3115.2172.4-74.7-178.6172.7177.5-3.3114I436R434-I436 PolarHBondContact O-N 3.19Å
435G37.5Very low42.3Very low57 Ų57102.8 Ų102.859%0.58853%0.529SS*.SBendtrans-60.336.3-174.600000118.4H437G435-H437 PolarHBondContact O-N 2.81Å
436I38.6Very low42.7Very low132 Ų13298.4 Ų98.468%0.67750%0.498SS*.  trans-75.4109.4156-56.5176.6000105.4R434R434-I436 PolarHBondContact O-N 3.19Å
437H39.3Very low43.5Very low32 Ų3297.2 Ų97.215%0.14849%0.492CS..  trans-47128.4169.6-160.4-72.8000108.3S325 G435 Y439S325-H437 VanDerWaalsContact O-CB 3.27Å; S325-H437 WeakPolarHBondContact O-CB 3.49Å; G435-H437 PolarHBondContact O-N 2.81Å; H437-Y439 AromaticContact CE1-CD2 3.13Å; H437-Y439 WeakPolarHBondContact CE1-CD2 3.29Å; H437-Y439 AromaticContact CE1-CE2 3.45Å; H437-Y439 VanDerWaalsContact CE1-CE2 3.45Å; H437-Y439 WeakPolarHBondContact CE1-CE2 3.45Å; H437-Y439 AromaticContact ND1-CD2 3.22Å; H437-Y439 WeakPolarHBondContact ND1-CD2 3.38Å; H437-Y439 AromaticContact ND1-CE2 3.9Å; H437-Y439 AromaticContact ND1-CG 3.98Å; H437-Y439 PolarHBondContact O-N 2.84Å
438P42.5Very low44Very low108 Ų10898 Ų9870%0.70150%0.495SS*.SBendtrans-67.21.4-167.125.4-35.7000114.6
439Y43.4Very low44.7Very low69 Ų6987.6 Ų87.627%0.27146%0.459SS..SBendtrans-101119.5178.3-56.9-56.2000109.3R143 Y146 H437R143-Y439 HydrophobicContact CG-CE2 4Å; R143-Y439 WeakPolarHBondContact CG-OH 3.32Å; Y146-Y439 HydrophobicContact CD1-CD1 4.32Å; Y146-Y439 HydrophobicContact CD1-CD2 4.36Å; Y146-Y439 AromaticContact CD1-CG 3.94Å; Y146-Y439 HydrophobicContact CD1-CG 3.94Å; Y146-Y439 AromaticContact CD2-CD2 3.29Å; Y146-Y439 HydrophobicContact CD2-CD2 3.29Å; Y146-Y439 AromaticContact CD2-CE2 3.88Å; Y146-Y439 HydrophobicContact CD2-CE2 3.88Å; Y146-Y439 AromaticContact CD2-CG 3.73Å; Y146-Y439 HydrophobicContact CD2-CG 3.73Å; Y146-Y439 VanDerWaalsContact CE1-CB 3.46Å; Y146-Y439 HydrophobicContact CE1-CD2 4.47Å; Y146-Y439 HydrophobicContact CE1-CG 4Å; Y146-Y439 AromaticContact CE2-CD2 3.46Å; Y146-Y439 HydrophobicContact CE2-CD2 3.46Å; Y146-Y439 VanDerWaalsContact CE2-CD2 3.46Å; Y146-Y439 HydrophobicContact CE2-CE2 4.42Å; Y146-Y439 AromaticContact CE2-CG 3.82Å; Y146-Y439 HydrophobicContact CE2-CG 3.82Å; Y146-Y439 HydrophobicContact CG-CD1 4.2Å; Y146-Y439 AromaticContact CG-CD2 3.79Å; Y146-Y439 HydrophobicContact CG-CD2 3.79Å; Y146-Y439 HydrophobicContact CG-CE2 4.32Å; Y146-Y439 AromaticContact CG-CG 3.79Å; Y146-Y439 HydrophobicContact CG-CG 3.79Å; Y146-Y439 AromaticContact CZ-CG 3.93Å; H437-Y439 AromaticContact CE1-CD2 3.13Å; H437-Y439 WeakPolarHBondContact CE1-CD2 3.29Å; H437-Y439 AromaticContact CE1-CE2 3.45Å; H437-Y439 VanDerWaalsContact CE1-CE2 3.45Å; H437-Y439 WeakPolarHBondContact CE1-CE2 3.45Å; H437-Y439 AromaticContact ND1-CD2 3.22Å; H437-Y439 WeakPolarHBondContact ND1-CD2 3.38Å; H437-Y439 AromaticContact ND1-CE2 3.9Å; H437-Y439 AromaticContact ND1-CG 3.98Å; H437-Y439 PolarHBondContact O-N 2.84Å
440P42Very low45.4Very low82 Ų8287.5 Ų87.553%0.53246%0.463SS..  trans-55.8159.2171.221.6-30.1000110.3R442P440-R442 HydrophobicContact CG-CG 4.38Å; P440-R442 PolarHBondContact O-N 3.14Å
441S46.6Very low46.1Very low72 Ų7282.6 Ų82.650%0.50344%0.442SS..SBendtrans-58.618.8-178.856.90000116L443S441-L443 PolarHBondContact O-N 3.46Å
442R43.7Very low46.4Very low195 Ų19581.6 Ų81.674%0.73645%0.451SS*.THydrogen-bonded Turntrans-44.9-29.2-173.3-94.2-171.7-179.4164.70.7114.8E150 P440E150-R442 VanDerWaalsContact OE1-O 3.11Å; P440-R442 HydrophobicContact CG-CG 4.38Å; P440-R442 PolarHBondContact O-N 3.14Å
443L45.4Very low47Very low20 Ų2078.2 Ų78.211%0.10544%0.442CS..THydrogen-bonded Turntrans-1351.8-167.2-82.5178.8000118.2F145 E150 K159 S441 S445F145-L443 HydrophobicContact CZ-CD1 4.5Å; E150-L443 HydrophobicContact CB-CD2 3.65Å; E150-L443 HydrophobicContact CG-CD1 3.94Å; E150-L443 HydrophobicContact CG-CD2 3.33Å; E150-L443 HydrophobicContact CG-CG 3.79Å; E150-L443 WeakPolarHBondContact OE1-CD2 3.4Å; E150-L443 VanDerWaalsContact OE1-CG 3.3Å; E150-L443 WeakPolarHBondContact OE1-CG 3.36Å; K159-L443 PolarHBondContact NZ-O 2.96Å; S441-L443 PolarHBondContact O-N 3.46Å; L443-S445 VanDerWaalsContact C-N 3.33Å; L443-S445 PolarHBondContact O-N 3.23Å
444A51.9Low47.2Very low12 Ų1274.9 Ų74.910%0.09941%0.409CS..  trans-96.351.1-167.900000112.2L219 M323L219-A444 WeakPolarHBondContact CD1-O 3.31Å; M323-A444 HydrophobicContact CB-CB 3.76Å; M323-A444 WeakPolarHBondContact CE-O 3.39Å; M323-A444 HydrophobicContact CG-CB 4.24Å; M323-A444 WeakPolarHBondContact O-CB 3.41Å
445S59.3Low46.9Very low59 Ų5972.8 Ų72.841%0.41341%0.41SS..SBendtrans-99.4149.2159.460.40000109.4N215 M323 L443N215-S445 WeakPolarHBondContact OD1-CA 3.46Å; N215-S445 WeakPolarHBondContact OD1-CB 3.24Å; M323-S445 VanDerWaalsContact CE-C 3.41Å; L443-S445 VanDerWaalsContact C-N 3.33Å; L443-S445 PolarHBondContact O-N 3.23Å
446F59.5Low46.7Very low8 Ų873.8 Ų73.84%0.03540%0.401CS..PPolyproline II helixtrans-60.1137.6158.9-68.8-83.2000106.5Y163 H166 L211 I214 N215 N319 M323 P329 D448Y163-F446 HydrophobicContact CD2-CB 3.72Å; Y163-F446 HydrophobicContact CE2-CB 3.98Å; H166-F446 HydrophobicContact CB-CE1 4.26Å; H166-F446 AromaticContact CD2-CE1 3.96Å; H166-F446 AromaticContact CG-CE1 3.82Å; L211-F446 HydrophobicContact CD2-CD1 4.05Å; L211-F446 HydrophobicContact CD2-CD2 3.59Å; L211-F446 HydrophobicContact CD2-CE1 3.78Å; L211-F446 HydrophobicContact CD2-CE2 3.3Å; L211-F446 HydrophobicContact CD2-CG 3.98Å; L211-F446 HydrophobicContact CD2-CZ 3.4Å; L211-F446 VanDerWaalsContact CD2-CZ 3.4Å; I214-F446 HydrophobicContact CD1-CE2 4.23Å; I214-F446 HydrophobicContact CG2-CD2 4.24Å; I214-F446 HydrophobicContact CG2-CE2 4.17Å; N215-F446 PolarHBondContact ND2-O 3.15Å; N215-F446 WeakPolarHBondContact OD1-CB 3.43Å; N215-F446 PolarHBondContact OD1-N 3.07Å; N215-F446 PolarHBondContact OD1-O 3.38Å; N319-F446 HydrophobicContact CB-CE2 4.46Å; N319-F446 HydrophobicContact CB-CZ 3.91Å; M323-F446 HydrophobicContact CE-CD2 3.49Å; M323-F446 VanDerWaalsContact CE-CD2 3.49Å; M323-F446 HydrophobicContact CE-CE2 3.76Å; M323-F446 HydrophobicContact CE-CG 3.93Å; M323-F446 HydrophobicContact CE-CZ 4.43Å; M323-F446 HydrophobicContact SD-CD2 3.81Å; M323-F446 HydrophobicContact SD-CE1 4.39Å; M323-F446 HydrophobicContact SD-CE2 3.39Å; M323-F446 WeakPolarHBondContact SD-CE2 2.83Å; M323-F446 HydrophobicContact SD-CG 4.43Å; M323-F446 HydrophobicContact SD-CZ 3.72Å; P329-F446 HydrophobicContact CB-CD1 4.42Å; P329-F446 HydrophobicContact CB-CE1 3.55Å; P329-F446 HydrophobicContact CB-CZ 3.77Å; P329-F446 HydrophobicContact CG-CD1 4.04Å; P329-F446 HydrophobicContact CG-CE1 3.64Å; P329-F446 HydrophobicContact CG-CZ 4.27Å; F446-D448 PolarHBondContact O-N 3.46Å
447A63.6Low46.2Very low15 Ų1571.6 Ų71.612%0.12440%0.403CS..PPolyproline II helixtrans-62.5130.3174.400000109.3K159 V160 Y163 P449K159-A447 HydrophobicContact CB-CB 3.73Å; V160-A447 HydrophobicContact CB-CB 4.37Å; V160-A447 HydrophobicContact CG2-CB 3.68Å; Y163-A447 WeakPolarHBondContact CD2-O 3.36Å; Y163-A447 WeakPolarHBondContact CE2-O 3.39Å; A447-P449 WeakPolarHBondContact O-CD 3.41Å
448D59.1Low45.7Very low33 Ų3377.3 Ų77.318%0.17643%0.433CS..PPolyproline II helixtrans-83.1117169.5-169.2-12.1000108.2R212 F446 E450 D451 I454R212-D448 IonicContact CZ-OD1 2.72Å; R212-D448 IonicContact NE-OD1 2.77Å; R212-D448 IonicContact NH2-OD1 3.13Å; R212-D448 PolarHBondContact NH2-OD1 3.28Å; F446-D448 PolarHBondContact O-N 3.46Å; D448-E450 PolarHBondContact O-N 3.05Å; D448-E450 VanDerWaalsContact O-N 3.14Å; D448-E450 PolarHBondContact OD1-N 3.35Å; D448-E450 VanDerWaalsContact OD1-N 3.11Å; D448-D451 HydrophobicContact CB-CB 4.34Å; D448-D451 WeakPolarHBondContact O-CB 3.39Å; D448-D451 PolarHBondContact O-N 2.99Å; D448-I454 WeakPolarHBondContact O-CD1 3.37Å
449P57Low45.1Very low26 Ų2676.2 Ų76.217%0.16943%0.426CS..THydrogen-bonded Turntrans-59-23.5177.7-21.833000113.4Y163 F164 A447Y163-P449 HydrophobicContact CD1-CG 3.67Å; Y163-P449 HydrophobicContact CE1-CG 3.99Å; Y163-P449 HydrophobicContact CG-CG 4.14Å; F164-P449 HydrophobicContact CE1-CB 4.33Å; F164-P449 HydrophobicContact CE1-CG 3.89Å; F164-P449 HydrophobicContact CZ-CB 3.87Å; F164-P449 HydrophobicContact CZ-CG 3.78Å; A447-P449 WeakPolarHBondContact O-CD 3.41Å
450E55.4Low44.8Very low102 Ų10278.4 Ų78.448%0.47745%0.449SS..THydrogen-bonded Turntrans-87.1-1178.1-75.4171.8-146.800113.7R190 R212 D448 S452R190-E450 IonicContact CZ-OE1 3.6Å; R190-E450 IonicContact NE-OE1 3.5Å; R190-E450 IonicContact NH2-OE1 2.83Å; R190-E450 PolarHBondContact NH2-OE1 3.3Å; R212-E450 IonicContact CZ-OE1 3.39Å; R212-E450 IonicContact CZ-OE2 2.66Å; R212-E450 IonicContact NH1-OE1 3.25Å; R212-E450 PolarHBondContact NH1-OE1 3.31Å; R212-E450 IonicContact NH1-OE2 3.57Å; R212-E450 PolarHBondContact NH1-OE2 3.14Å; R212-E450 IonicContact NH2-OE1 2.91Å; R212-E450 PolarHBondContact NH2-OE1 2.96Å; R212-E450 IonicContact NH2-OE2 3.28Å; R212-E450 PolarHBondContact NH2-OE2 3.02Å; R212-E450 VanDerWaalsContact NH2-OE2 3.13Å; D448-E450 PolarHBondContact O-N 3.05Å; D448-E450 VanDerWaalsContact O-N 3.14Å; D448-E450 PolarHBondContact OD1-N 3.35Å; D448-E450 VanDerWaalsContact OD1-N 3.11Å; E450-S452 PolarHBondContact O-N 3.27Å
451D53.9Low44.2Very low73 Ų7381.5 Ų81.539%0.3946%0.461SS..  trans-65.5105.7174.5-176-12.5000109.9D448 T453 I454D448-D451 HydrophobicContact CB-CB 4.34Å; D448-D451 WeakPolarHBondContact O-CB 3.39Å; D448-D451 PolarHBondContact O-N 2.99Å; D451-T453 PolarHBondContact O-N 2.86Å; D451-T453 WeakPolarHBondContact OD1-CB 3.48Å; D451-T453 WeakPolarHBondContact OD1-CG2 3.49Å; D451-T453 PolarHBondContact OD1-N 3.26Å; D451-T453 PolarHBondContact OD1-OG1 3.44Å; D451-T453 PolarHBondContact OD2-OG1 3.47Å; D451-I454 HydrophobicContact CB-CD1 3.86Å; D451-I454 HydrophobicContact CB-CG1 4.16Å; D451-I454 VanDerWaalsContact O-CB 3.23Å; D451-I454 WeakPolarHBondContact O-CB 3.33Å; D451-I454 VanDerWaalsContact O-CG1 3.27Å; D451-I454 WeakPolarHBondContact O-CG1 3.07Å; D451-I454 PolarHBondContact O-N 3.4Å
452S38.3Very low43.5Very low119 Ų11983.8 Ų83.883%0.83247%0.466SS*.THydrogen-bonded Turntrans-62.2-7.6-177.955.90000114.8E450 I454E450-S452 PolarHBondContact O-N 3.27Å; S452-I454 PolarHBondContact O-N 3.07Å
453T43.7Very low43.1Very low94 Ų9481.7 Ų81.758%0.57747%0.468SS*.THydrogen-bonded Turntrans-71.3-12.4167.265.20000112.2R156 D451 Q455R156-T453 PolarHBondContact NH1-O 3.03Å; R156-T453 PolarHBondContact NH2-O 2.75Å; D451-T453 PolarHBondContact O-N 2.86Å; D451-T453 WeakPolarHBondContact OD1-CB 3.48Å; D451-T453 WeakPolarHBondContact OD1-CG2 3.49Å; D451-T453 PolarHBondContact OD1-N 3.26Å; D451-T453 PolarHBondContact OD1-OG1 3.44Å; D451-T453 PolarHBondContact OD2-OG1 3.47Å; T453-Q455 PolarHBondContact O-N 3.32Å
454I37.7Very low42.6Very low31 Ų3190.6 Ų90.616%0.15950%0.502CS..  trans-91.287.7178.2-50.8169.5000109.7V160 D448 D451 S452 L456V160-I454 HydrophobicContact CG2-CD1 3.99Å; D448-I454 WeakPolarHBondContact O-CD1 3.37Å; D451-I454 HydrophobicContact CB-CD1 3.86Å; D451-I454 HydrophobicContact CB-CG1 4.16Å; D451-I454 VanDerWaalsContact O-CB 3.23Å; D451-I454 WeakPolarHBondContact O-CB 3.33Å; D451-I454 VanDerWaalsContact O-CG1 3.27Å; D451-I454 WeakPolarHBondContact O-CG1 3.07Å; D451-I454 PolarHBondContact O-N 3.4Å; S452-I454 PolarHBondContact O-N 3.07Å; I454-L456 VanDerWaalsContact C-N 3.26Å; I454-L456 HydrophobicContact CG2-CD1 4.14Å; I454-L456 HydrophobicContact CG2-CG 3.76Å; I454-L456 PolarHBondContact O-N 3.3Å
455Q26.9Very low41.7Very low190 Ų19094.7 Ų94.789%0.88854%0.535SS*.  trans-69.491.4154-90.6-175.4-14.500108.2T453 A457T453-Q455 PolarHBondContact O-N 3.32Å; Q455-A457 PolarHBondContact O-N 3.03Å; Q455-A457 VanDerWaalsContact O-N 3.09Å
456L31.7Very low40.2Very low78 Ų7895.7 Ų95.741%0.40856%0.556SS.*  trans-65.2103.5159.8-84151000106.6V160 I454 L458V160-L456 HydrophobicContact CG1-CD1 4.44Å; I454-L456 VanDerWaalsContact C-N 3.26Å; I454-L456 HydrophobicContact CG2-CD1 4.14Å; I454-L456 HydrophobicContact CG2-CG 3.76Å; I454-L456 PolarHBondContact O-N 3.3Å; L456-L458 PolarHBondContact O-N 2.64Å
457A29.4Very low38.8Very low86 Ų86102.6 Ų102.671%0.71163%0.629SS**  trans-59.9106.2163.100000106.8Q455Q455-A457 PolarHBondContact O-N 3.03Å; Q455-A457 VanDerWaalsContact O-N 3.09Å
458L28.4Very low37.6Very low152 Ų152107 Ų10780%0.79665%0.654SS**PPolyproline II helixtrans-49.9130.5167.8-70.9166.1000107.1L456L456-L458 PolarHBondContact O-N 2.64Å
459P29.3Very low36.4Very low85 Ų85110.8 Ų110.855%0.55268%0.679SS**PPolyproline II helixtrans-55.9131.7174.922.3-30.3000107.9N461 I462P459-N461 PolarHBondContact O-N 2.87Å; P459-N461 VanDerWaalsContact O-N 3.09Å; P459-I462 HydrophobicContact CG-CD1 4.29Å
460P37Very low35.3Very low114 Ų114115.6 Ų115.674%0.7471%0.707SS**THydrogen-bonded Turntrans-61.7122.3178.424-29.5000107.4
461N30.8Very low34.1Very low147 Ų147116.4 Ų116.479%0.78672%0.721SS**THydrogen-bonded Turntrans99.240.1172.2-47.3-31.1000118.8P459P459-N461 PolarHBondContact O-N 2.87Å; P459-N461 VanDerWaalsContact O-N 3.09Å
462I31.5Very low32.9Very low120 Ų120119.1 Ų119.162%0.61574%0.741SS**  trans-98.288.9148.2-56.6178.6000107.8P459 Y464P459-I462 HydrophobicContact CG-CD1 4.29Å; I462-Y464 HydrophobicContact CG2-CD2 4.29Å; I462-Y464 HydrophobicContact CG2-CE2 4.25Å; I462-Y464 PolarHBondContact O-N 3.29Å
463I34.9Very low32.5Very low151 Ų151119.1 Ų119.177%0.77474%0.735SS**  trans-69.7106.4162.6-61.8171.7000105.4A465I463-A465 PolarHBondContact O-N 3.42Å
464Y34.1Very low31.7Very low207 Ų207120.9 Ų120.981%0.81275%0.747SS**  trans-61.9105.5163.6-83.2-90.4000107.1I462 G466I462-Y464 HydrophobicContact CG2-CD2 4.29Å; I462-Y464 HydrophobicContact CG2-CE2 4.25Å; I462-Y464 PolarHBondContact O-N 3.29Å; Y464-G466 PolarHBondContact O-N 2.96Å
465A34.5Very low31.2Very low98 Ų98127.8 Ų127.881%0.8179%0.792SS**  trans-67.686.5163.200000107.1I463I463-A465 PolarHBondContact O-N 3.42Å
466G28.3Very low31.6Very low81 Ų81122.6 Ų122.684%0.83578%0.784SS**  trans-70.8119.8158.300000107.9Y464Y464-G466 PolarHBondContact O-N 2.96Å
467G29.2Very low31.6Very low152 Ų152126.6 Ų126.6100%1.56782%0.818SS**  trans-179.20177.900000109.5

Retrieved 467 of 467 residues in 307.2 ms (Link to these results)

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