A0A087Y3G1_POEFO Loading...

USH1 protein network component sans

AlphaFold DB , UniProt , Accession A0A087Y3G1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 477 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
1M49.4Very low84.6Confident231 Ų23173.7 Ų73.7100%1.13833%0.334SS*.  0550-75.2-177.4166.300110.8
2N63.9Low85.2Confident79 Ų7969.6 Ų69.642%0.42233%0.327SS..  trans-114.8-8.5170.8-72.9-14.5000111.9R4 Y5 H6N2-R4 PolarHBondContact O-N 3.21Å; N2-Y5 PolarHBondContact O-N 3.32Å; N2-H6 PolarHBondContact O-ND1 3.24Å
3D81.3Confident85.9Confident70 Ų7075.1 Ų75.137%0.37435%0.345SS..Hα-helixtrans-62.7-16.2-169.1-33.811.4000114.3Y5 H6 R7D3-Y5 VanDerWaalsContact C-N 3.26Å; D3-Y5 PolarHBondContact O-N 2.96Å; D3-H6 PolarHBondContact O-N 2.87Å; D3-H6 VanDerWaalsContact O-N 3.16Å; D3-R7 VanDerWaalsContact CB-CZ 3.44Å; D3-R7 WeakPolarHBondContact O-CB 3.33Å; D3-R7 PolarHBondContact O-N 3.35Å; D3-R7 IonicContact OD2-CZ 2.73Å; D3-R7 IonicContact OD2-NH1 3.6Å; D3-R7 PolarHBondContact OD2-NH1 2.99Å; D3-R7 IonicContact OD2-NH2 3.87Å
4R90.3Very high86.4Confident117 Ų11773.9 Ų73.944%0.44234%0.342SS..Hα-helixtrans-52.5-48.3-179.1-176.1-177.1-176.1-138.1-2.1110.4N2 A8 I16 E19N2-R4 PolarHBondContact O-N 3.21Å; R4-A8 WeakPolarHBondContact O-CB 3.18Å; R4-A8 PolarHBondContact O-N 3.13Å; R4-A8 VanDerWaalsContact O-N 3.08Å; R4-I16 HydrophobicContact CG-CG2 3.96Å; R4-E19 IonicContact CZ-OE2 2.7Å; R4-E19 IonicContact NH1-OE2 2.6Å; R4-E19 PolarHBondContact NH1-OE2 3.11Å; R4-E19 IonicContact NH2-OE2 2.88Å; R4-E19 PolarHBondContact NH2-OE2 3.3Å
5Y91.5Very high86.8Confident23 Ų2376.5 Ų76.59%0.0936%0.359CS..Hα-helixtrans-83-25.1-179.9-51.5-69.3000113N2 D3 A9 I16 A20 E24N2-Y5 PolarHBondContact O-N 3.32Å; D3-Y5 VanDerWaalsContact C-N 3.26Å; D3-Y5 PolarHBondContact O-N 2.96Å; Y5-A9 VanDerWaalsContact O-CB 3.23Å; Y5-A9 WeakPolarHBondContact O-CB 3.23Å; Y5-A9 PolarHBondContact O-N 3.37Å; Y5-I16 HydrophobicContact CD1-CG2 4.1Å; Y5-I16 HydrophobicContact CE1-CG2 4.23Å; Y5-I16 WeakPolarHBondContact CE1-O 3.46Å; Y5-A20 HydrophobicContact CD1-CB 3.56Å; Y5-A20 HydrophobicContact CE1-CB 3.59Å; Y5-A20 HydrophobicContact CG-CB 4.13Å; Y5-E24 HydrophobicContact CD2-CB 3.75Å; Y5-E24 HydrophobicContact CD2-CG 4.29Å; Y5-E24 HydrophobicContact CE2-CB 3.76Å; Y5-E24 HydrophobicContact CE2-CG 3.84Å; Y5-E24 WeakPolarHBondContact CE2-OE1 3.47Å; Y5-E24 PolarHBondContact OH-OE1 3.19Å
6H91.2Very high87.1Confident7 Ų774.8 Ų74.83%0.03235%0.353CS..Hα-helixtrans-67.3-49.4174.2-62.166.9000110.2N2 D3 A9 R10 A27 D29 M33 W38N2-H6 PolarHBondContact O-ND1 3.24Å; D3-H6 PolarHBondContact O-N 2.87Å; D3-H6 VanDerWaalsContact O-N 3.16Å; H6-A9 PolarHBondContact O-N 3.3Å; H6-R10 WeakPolarHBondContact O-CB 3.45Å; H6-R10 PolarHBondContact O-N 2.95Å; H6-A27 PolarHBondContact CE1-O 2.91Å; H6-A27 PolarHBondContact NE2-O 2.94Å; H6-D29 IonicContact CD2-OD2 3.55Å; H6-D29 PolarHBondContact CD2-OD2 2.87Å; H6-M33 PolarHBondContact CD2-O 2.96Å; H6-M33 PolarHBondContact NE2-O 3.35Å; H6-W38 AromaticContact CD2-CD1 3.71Å; H6-W38 AromaticContact CD2-NE1 3.89Å
7R91.8Very high87.3Confident122 Ų12270.5 Ų70.546%0.4633%0.332SS..Hα-helixtrans-61.8-43.6171.8-71.6-169.7-75.9-92.12.3112D3 A9 R10 D11D3-R7 VanDerWaalsContact CB-CZ 3.44Å; D3-R7 WeakPolarHBondContact O-CB 3.33Å; D3-R7 PolarHBondContact O-N 3.35Å; D3-R7 IonicContact OD2-CZ 2.73Å; D3-R7 IonicContact OD2-NH1 3.6Å; D3-R7 PolarHBondContact OD2-NH1 2.99Å; D3-R7 IonicContact OD2-NH2 3.87Å; R7-A9 VanDerWaalsContact C-N 3.3Å; R7-A9 PolarHBondContact O-N 3.47Å; R7-R10 WeakPolarHBondContact O-CB 3.43Å; R7-R10 PolarHBondContact O-N 3.12Å; R7-D11 VanDerWaalsContact O-CB 3.3Å; R7-D11 WeakPolarHBondContact O-CB 3.38Å; R7-D11 PolarHBondContact O-N 3.45Å
8A93.4Very high87.6Confident1 Ų172.1 Ų72.11%0.00834%0.338CS..Hα-helixtrans-61.8-36.117600000113.1R4 G12 Y13 I16 L17R4-A8 WeakPolarHBondContact O-CB 3.18Å; R4-A8 PolarHBondContact O-N 3.13Å; R4-A8 VanDerWaalsContact O-N 3.08Å; A8-G12 CarbonylContact O-C 3.59Å; A8-G12 WeakPolarHBondContact O-CA 3.29Å; A8-G12 PolarHBondContact O-N 2.9Å; A8-Y13 PolarHBondContact O-N 2.82Å; A8-I16 HydrophobicContact CB-CB 3.86Å; A8-I16 HydrophobicContact CB-CD1 4.46Å; A8-I16 HydrophobicContact CB-CG2 3.76Å; A8-L17 HydrophobicContact CB-CD2 3.95Å; A8-L17 HydrophobicContact CB-CG 3.97Å
9A93.4Very high87.7Confident0 Ų074.5 Ų74.50%035%0.349CS..Hα-helixtrans-70.5-38.6174.200000113Y5 H6 R7 L17 P35 W38 A39 N44 I51Y5-A9 VanDerWaalsContact O-CB 3.23Å; Y5-A9 WeakPolarHBondContact O-CB 3.23Å; Y5-A9 PolarHBondContact O-N 3.37Å; H6-A9 PolarHBondContact O-N 3.3Å; R7-A9 VanDerWaalsContact C-N 3.3Å; R7-A9 PolarHBondContact O-N 3.47Å; A9-L17 HydrophobicContact CB-CD2 4.3Å; A9-P35 HydrophobicContact CB-CB 3.9Å; A9-P35 WeakPolarHBondContact CB-O 3.31Å; A9-W38 HydrophobicContact CB-CB 4.29Å; A9-A39 HydrophobicContact CB-CB 4.18Å; A9-N44 PolarHBondContact O-ND2 3.24Å; A9-I51 HydrophobicContact CB-CD1 3.63Å
10R92.4Very high87.7Confident95 Ų9571.1 Ų71.136%0.35833%0.334SS..Hα-helixtrans-67.1-40.9176.2-166-16765.9176.8-0.5113.3H6 R7 W38 H42 N44H6-R10 WeakPolarHBondContact O-CB 3.45Å; H6-R10 PolarHBondContact O-N 2.95Å; R7-R10 WeakPolarHBondContact O-CB 3.43Å; R7-R10 PolarHBondContact O-N 3.12Å; R10-W38 HydrophobicContact CB-CB 4.48Å; R10-W38 HydrophobicContact CB-CE3 4.32Å; R10-W38 HydrophobicContact CG-CE3 3.83Å; R10-W38 HydrophobicContact CG-CZ3 4.26Å; R10-H42 WeakPolarHBondContact CG-CD2 3.44Å; R10-H42 WeakPolarHBondContact CG-NE2 3.27Å; R10-N44 PolarHBondContact O-ND2 3.49Å
11D92.1Very high87.8Confident66 Ų6671.2 Ų71.235%0.35334%0.34SS..Hα-helixtrans-97.7-3.2-173.4-54.3-19.6000112R7 Y13R7-D11 VanDerWaalsContact O-CB 3.3Å; R7-D11 WeakPolarHBondContact O-CB 3.38Å; R7-D11 PolarHBondContact O-N 3.45Å; D11-Y13 HydrophobicContact CB-CD2 3.72Å; D11-Y13 HydrophobicContact CB-CE2 3.51Å
12G91.9Very high89.7Confident24 Ų2467.1 Ų67.125%0.24731%0.312CS..THydrogen-bonded Turntrans81.411.6175.100000116A8 L14 N44A8-G12 CarbonylContact O-C 3.59Å; A8-G12 WeakPolarHBondContact O-CA 3.29Å; A8-G12 PolarHBondContact O-N 2.9Å; G12-L14 PolarHBondContact O-N 2.89Å; G12-N44 PolarHBondContact N-ND2 2.82Å
13Y93.8Very high90.9Very high141 Ų14172 Ų7255%0.55333%0.329SS*.  trans-72.586.2-174.9-64.1-49.9000113.5A8 D11 D15 I16 L17A8-Y13 PolarHBondContact O-N 2.82Å; D11-Y13 HydrophobicContact CB-CD2 3.72Å; D11-Y13 HydrophobicContact CB-CE2 3.51Å; Y13-D15 VanDerWaalsContact C-N 3.32Å; Y13-D15 PolarHBondContact O-N 3.37Å; Y13-I16 PolarHBondContact O-N 3.39Å; Y13-L17 PolarHBondContact O-N 2.67Å
14L93.6Very high91.3Very high58 Ų5871.5 Ų71.530%0.30432%0.324SS..Hα-helixtrans-56.3-38.3-176.3-55.5-176.8000113.8G12 I16 L17 K18 E46 A47 L50G12-L14 PolarHBondContact O-N 2.89Å; L14-I16 PolarHBondContact O-N 3.04Å; L14-L17 CarbonylContact O-C 3.54Å; L14-L17 PolarHBondContact O-N 3.45Å; L14-L17 VanDerWaalsContact O-N 3.15Å; L14-K18 WeakPolarHBondContact O-CG 3.33Å; L14-K18 PolarHBondContact O-N 2.73Å; L14-E46 HydrophobicContact CD1-CB 4.19Å; L14-E46 HydrophobicContact CD2-CB 4.01Å; L14-A47 HydrophobicContact CD2-CB 4.13Å; L14-L50 HydrophobicContact CB-CD2 4.26Å; L14-L50 HydrophobicContact CD2-CD2 4.36Å; L14-L50 WeakPolarHBondContact O-CD2 3.32Å
15D92.6Very high91.3Very high113 Ų11366 Ų6660%0.60430%0.304SS*.Hα-helixtrans-66.6-37.9-175.3-63-44.3000113Y13 L17 K18Y13-D15 VanDerWaalsContact C-N 3.32Å; Y13-D15 PolarHBondContact O-N 3.37Å; D15-L17 VanDerWaalsContact C-N 3.32Å; D15-K18 WeakPolarHBondContact O-CB 3.35Å; D15-K18 PolarHBondContact O-N 3.35Å; D15-K18 IonicContact OD1-NZ 3.19Å; D15-K18 PolarHBondContact OD1-NZ 3.17Å
16I91.4Very high91.3Very high50 Ų5066.3 Ų66.326%0.25631%0.307SS..Hα-helixtrans-67.8-36.7173.8-59.4173.2000110.3R4 Y5 A8 Y13 L14 K18 E19R4-I16 HydrophobicContact CG-CG2 3.96Å; Y5-I16 HydrophobicContact CD1-CG2 4.1Å; Y5-I16 HydrophobicContact CE1-CG2 4.23Å; Y5-I16 WeakPolarHBondContact CE1-O 3.46Å; A8-I16 HydrophobicContact CB-CB 3.86Å; A8-I16 HydrophobicContact CB-CD1 4.46Å; A8-I16 HydrophobicContact CB-CG2 3.76Å; Y13-I16 PolarHBondContact O-N 3.39Å; L14-I16 PolarHBondContact O-N 3.04Å; I16-K18 VanDerWaalsContact C-N 3.33Å; I16-E19 PolarHBondContact O-N 2.78Å
17L90.7Very high91.3Very high1 Ų166.9 Ų66.91%0.00531%0.313CS..Hα-helixtrans-71.2-25.8176.9-64.8171.1000112.9A8 A9 Y13 L14 D15 E19 A20 A47 L50 I51A8-L17 HydrophobicContact CB-CD2 3.95Å; A8-L17 HydrophobicContact CB-CG 3.97Å; A9-L17 HydrophobicContact CB-CD2 4.3Å; Y13-L17 PolarHBondContact O-N 2.67Å; L14-L17 CarbonylContact O-C 3.54Å; L14-L17 PolarHBondContact O-N 3.45Å; L14-L17 VanDerWaalsContact O-N 3.15Å; D15-L17 VanDerWaalsContact C-N 3.32Å; L17-E19 PolarHBondContact O-N 3.28Å; L17-A20 WeakPolarHBondContact O-CB 3.2Å; L17-A20 PolarHBondContact O-N 3Å; L17-A47 HydrophobicContact CD1-CB 3.61Å; L17-L50 HydrophobicContact CB-CD2 3.65Å; L17-L50 HydrophobicContact CB-CG 4.43Å; L17-I51 HydrophobicContact CD1-CD1 4.06Å; L17-I51 HydrophobicContact CD1-CG1 4.24Å; L17-I51 HydrophobicContact CD2-CD1 4.01Å; L17-I51 HydrophobicContact CD2-CG1 4.05Å
18K91.4Very high91.2Very high99 Ų9964 Ų6443%0.4331%0.31SS..Hα-helixtrans-66.7-24.7172.6-70.9168-162.4164.90112.6L14 D15 I16 L50 R54L14-K18 WeakPolarHBondContact O-CG 3.33Å; L14-K18 PolarHBondContact O-N 2.73Å; D15-K18 WeakPolarHBondContact O-CB 3.35Å; D15-K18 PolarHBondContact O-N 3.35Å; D15-K18 IonicContact OD1-NZ 3.19Å; D15-K18 PolarHBondContact OD1-NZ 3.17Å; I16-K18 VanDerWaalsContact C-N 3.33Å; K18-L50 HydrophobicContact CG-CD1 4.34Å; K18-L50 HydrophobicContact CG-CD2 3.91Å; K18-R54 VanDerWaalsContact O-CZ 3.31Å; K18-R54 PolarHBondContact O-NH1 3.28Å; K18-R54 PolarHBondContact O-NH2 3.49Å
19E90.3Very high91Very high119 Ų11965.8 Ų65.856%0.55632%0.319SS*.Hα-helixtrans-80.8-20.7175.3-62.6179.1177.200113R4 I16 L17R4-E19 IonicContact CZ-OE2 2.7Å; R4-E19 IonicContact NH1-OE2 2.6Å; R4-E19 PolarHBondContact NH1-OE2 3.11Å; R4-E19 IonicContact NH2-OE2 2.88Å; R4-E19 PolarHBondContact NH2-OE2 3.3Å; I16-E19 PolarHBondContact O-N 2.78Å; L17-E19 PolarHBondContact O-N 3.28Å
20A88.5Confident90.6Very high5 Ų574.9 Ų74.94%0.04136%0.362CS..  trans-66.9138.8-170.100000113.7Y5 L17 L25Y5-A20 HydrophobicContact CD1-CB 3.56Å; Y5-A20 HydrophobicContact CE1-CB 3.59Å; Y5-A20 HydrophobicContact CG-CB 4.13Å; L17-A20 WeakPolarHBondContact O-CB 3.2Å; L17-A20 PolarHBondContact O-N 3Å; A20-L25 HydrophobicContact CB-CD1 4.31Å; A20-L25 HydrophobicContact CB-CD2 3.62Å; A20-L25 HydrophobicContact CB-CG 3.87Å
21T89.3Confident90.2Very high74 Ų7474.3 Ų74.345%0.45437%0.366SS..  trans-88.8156.7171.871.50000111.9K23 E24 L25T21-K23 PolarHBondContact O-N 3.18Å; T21-E24 WeakPolarHBondContact CA-OE2 3.5Å; T21-E24 VanDerWaalsContact CB-OE2 3.24Å; T21-E24 WeakPolarHBondContact CB-OE2 3.46Å; T21-E24 WeakPolarHBondContact CG2-OE2 3.46Å; T21-E24 PolarHBondContact N-OE2 3.13Å; T21-E24 PolarHBondContact O-N 3.5Å; T21-E24 VanDerWaalsContact OG1-CD 3.31Å; T21-E24 PolarHBondContact OG1-OE2 2.82Å; T21-L25 PolarHBondContact O-N 3.31Å; T21-L25 VanDerWaalsContact O-N 3.08Å
22R89.6Confident90Very high146 Ų14671.8 Ų71.855%0.55136%0.355SS*.THydrogen-bonded Turntrans-54.5-30178.3-177168.5-173.6-154.3-3.4114N26 G55 D57R22-N26 PolarHBondContact O-N 3.47Å; R22-N26 PolarHBondContact O-ND2 3.09Å; R22-G55 WeakPolarHBondContact CG-O 3.42Å; R22-G55 PolarHBondContact NE-O 2.66Å; R22-D57 IonicContact CZ-OD1 3.2Å; R22-D57 IonicContact NH2-OD1 2.71Å; R22-D57 PolarHBondContact NH2-OD1 3.47Å
23K88.9Confident89.9Confident182 Ų18271.2 Ų71.279%0.79135%0.346SS*.THydrogen-bonded Turntrans-72.1-40.3178.1-71.3-176.5-179.6177.30111.8T21 N26 A27T21-K23 PolarHBondContact O-N 3.18Å; K23-N26 CarbonylContact O-C 3.58Å; K23-N26 PolarHBondContact O-N 3.21Å; K23-A27 WeakPolarHBondContact O-CB 3.44Å; K23-A27 PolarHBondContact O-N 3.38Å
24E89.3Confident89.9Confident59 Ų5964.5 Ų64.528%0.27632%0.32SS..G310 helixtrans-70.8-36.9179.4-65.4158.4130.100111.3Y5 T21 N26 A27Y5-E24 HydrophobicContact CD2-CB 3.75Å; Y5-E24 HydrophobicContact CD2-CG 4.29Å; Y5-E24 HydrophobicContact CE2-CB 3.76Å; Y5-E24 HydrophobicContact CE2-CG 3.84Å; Y5-E24 WeakPolarHBondContact CE2-OE1 3.47Å; Y5-E24 PolarHBondContact OH-OE1 3.19Å; T21-E24 WeakPolarHBondContact CA-OE2 3.5Å; T21-E24 VanDerWaalsContact CB-OE2 3.24Å; T21-E24 WeakPolarHBondContact CB-OE2 3.46Å; T21-E24 WeakPolarHBondContact CG2-OE2 3.46Å; T21-E24 PolarHBondContact N-OE2 3.13Å; T21-E24 PolarHBondContact O-N 3.5Å; T21-E24 VanDerWaalsContact OG1-CD 3.31Å; T21-E24 PolarHBondContact OG1-OE2 2.82Å; E24-N26 PolarHBondContact O-N 2.99Å; E24-A27 PolarHBondContact O-N 3.35Å
25L90.3Very high89.9Confident1 Ų161.7 Ų61.71%0.00531%0.306CS..G310 helixtrans-67.5-16.4174.9-64.9-179.7000114.4A20 T21 P35 I51 R54A20-L25 HydrophobicContact CB-CD1 4.31Å; A20-L25 HydrophobicContact CB-CD2 3.62Å; A20-L25 HydrophobicContact CB-CG 3.87Å; T21-L25 PolarHBondContact O-N 3.31Å; T21-L25 VanDerWaalsContact O-N 3.08Å; L25-P35 HydrophobicContact CD2-CB 4.24Å; L25-I51 HydrophobicContact CB-CG2 4.41Å; L25-I51 HydrophobicContact CD1-CG2 4.35Å; L25-I51 HydrophobicContact CD2-CB 4.5Å; L25-I51 HydrophobicContact CD2-CG1 4Å; L25-I51 HydrophobicContact CD2-CG2 4.11Å; L25-R54 HydrophobicContact CD1-CB 3.53Å
26N91.1Very high90Very high29 Ų2956.3 Ų56.316%0.15528%0.277CS..G310 helixtrans-115.84178.1-69.4-62.5000113.1R22 K23 E24 P28 G55 D57R22-N26 PolarHBondContact O-N 3.47Å; R22-N26 PolarHBondContact O-ND2 3.09Å; K23-N26 CarbonylContact O-C 3.58Å; K23-N26 PolarHBondContact O-N 3.21Å; E24-N26 PolarHBondContact O-N 2.99Å; N26-P28 WeakPolarHBondContact O-CD 3.47Å; N26-G55 PolarHBondContact ND2-O 3.3Å; N26-D57 WeakPolarHBondContact OD1-CB 3.45Å; N26-D57 PolarHBondContact OD1-N 2.99Å
27A90.9Very high90.1Very high19 Ų1954 Ų5416%0.15727%0.265CS..  trans-77.5123.3172.700000108.5H6 K23 E24H6-A27 PolarHBondContact CE1-O 2.91Å; H6-A27 PolarHBondContact NE2-O 2.94Å; K23-A27 WeakPolarHBondContact O-CB 3.44Å; K23-A27 PolarHBondContact O-N 3.38Å; E24-A27 PolarHBondContact O-N 3.35Å
28P90.2Very high90.3Very high62 Ų6256.6 Ų56.640%0.40328%0.275SS..  trans-74.1156.4171.930.8-33.4000111.4N26 M33N26-P28 WeakPolarHBondContact O-CD 3.47Å; P28-M33 CarbonylContact C-O 3.52Å; P28-M33 VanDerWaalsContact CA-O 3.3Å; P28-M33 WeakPolarHBondContact CA-O 3.19Å
29D89Confident90.5Very high38 Ų3851.9 Ų51.920%0.20325%0.254CS..  trans-86-168.7161.261.827.1000112H6 D31 G32 M33 W38H6-D29 IonicContact CD2-OD2 3.55Å; H6-D29 PolarHBondContact CD2-OD2 2.87Å; D29-D31 VanDerWaalsContact C-N 3.26Å; D29-D31 PolarHBondContact O-N 2.96Å; D29-D31 PolarHBondContact OD1-N 3.49Å; D29-D31 VanDerWaalsContact OD1-N 3.08Å; D29-G32 PolarHBondContact O-N 3.03Å; D29-G32 VanDerWaalsContact O-N 3.09Å; D29-G32 PolarHBondContact OD1-N 3.23Å; D29-M33 VanDerWaalsContact CG-O 3.28Å; D29-M33 PolarHBondContact N-O 3.33Å; D29-M33 WeakPolarHBondContact OD1-CB 3.18Å; D29-M33 PolarHBondContact OD1-N 3.49Å; D29-M33 WeakPolarHBondContact OD2-CB 3.48Å; D29-W38 PolarHBondContact OD2-NE1 3.3Å
30E86.1Confident90.8Very high191 Ų19146.2 Ų46.289%0.89323%0.228SC*.THydrogen-bonded Turntrans-63.9-29.1-177.4-54.8-63.3145.300112.8G32E30-G32 VanDerWaalsContact C-N 3.27Å
31D83.4Confident91.1Very high83 Ų8350.4 Ų50.444%0.44424%0.243SC..THydrogen-bonded Turntrans-89.37.5176.7-64.3-48000112.1D29 M33 I63D29-D31 VanDerWaalsContact C-N 3.26Å; D29-D31 PolarHBondContact O-N 2.96Å; D29-D31 PolarHBondContact OD1-N 3.49Å; D29-D31 VanDerWaalsContact OD1-N 3.08Å; D31-M33 HydrophobicContact CB-CG 4.24Å; D31-M33 PolarHBondContact O-N 3.25Å; D31-I63 WeakPolarHBondContact O-CG1 3.48Å; D31-I63 WeakPolarHBondContact O-CG2 3.47Å; D31-I63 PolarHBondContact O-N 2.79Å
32G87Confident91.3Very high13 Ų1350.4 Ų50.413%0.13424%0.238CC..SBendtrans76.11-176.500000114.2D29 E30D29-G32 PolarHBondContact O-N 3.03Å; D29-G32 VanDerWaalsContact O-N 3.09Å; D29-G32 PolarHBondContact OD1-N 3.23Å; E30-G32 VanDerWaalsContact C-N 3.27Å
33M91.2Very high91.5Very high12 Ų1244.5 Ų44.56%0.05922%0.222CC..  trans-75137.4-176.8-67.4-82.4-76.200109.9H6 P28 D29 D31 L37 W38 D62 L71H6-M33 PolarHBondContact CD2-O 2.96Å; H6-M33 PolarHBondContact NE2-O 3.35Å; P28-M33 CarbonylContact C-O 3.52Å; P28-M33 VanDerWaalsContact CA-O 3.3Å; P28-M33 WeakPolarHBondContact CA-O 3.19Å; D29-M33 VanDerWaalsContact CG-O 3.28Å; D29-M33 PolarHBondContact N-O 3.33Å; D29-M33 WeakPolarHBondContact OD1-CB 3.18Å; D29-M33 PolarHBondContact OD1-N 3.49Å; D29-M33 WeakPolarHBondContact OD2-CB 3.48Å; D31-M33 HydrophobicContact CB-CG 4.24Å; D31-M33 PolarHBondContact O-N 3.25Å; M33-L37 HydrophobicContact CB-CB 4.5Å; M33-L37 HydrophobicContact CE-CB 3.89Å; M33-L37 HydrophobicContact SD-CB 3.75Å; M33-L37 HydrophobicContact SD-CD1 4.36Å; M33-L37 HydrophobicContact SD-CD2 4.39Å; M33-L37 HydrophobicContact SD-CG 4.39Å; M33-W38 HydrophobicContact CE-CD2 4.01Å; M33-W38 HydrophobicContact CE-CE3 4.36Å; M33-W38 HydrophobicContact CE-CG 4.26Å; M33-W38 HydrophobicContact CE-CZ2 4.5Å; M33-D62 HydrophobicContact CG-CB 4.24Å; M33-D62 HydrophobicContact SD-CB 3.8Å; M33-L71 HydrophobicContact CE-CD1 3.72Å; M33-L71 HydrophobicContact SD-CD1 3.86Å
34T93.1Very high91.8Very high0 Ų038 Ų380%020%0.196CC..  trans-100.3165.717262.90000110.4T36 L37 W38 K60T34-T36 PolarHBondContact O-N 2.67Å; T34-T36 VanDerWaalsContact O-N 3.16Å; T34-T36 PolarHBondContact OG1-N 3.41Å; T34-L37 HydrophobicContact CG2-CD1 4.41Å; T34-L37 WeakPolarHBondContact O-CB 3.47Å; T34-L37 PolarHBondContact O-N 3.24Å; T34-L37 PolarHBondContact OG1-N 3Å; T34-W38 PolarHBondContact O-N 3.39Å; T34-K60 HydrophobicContact CG2-CG 3.81Å
35P93.8Very high92.1Very high0 Ų036.9 Ų36.90%019%0.192CC..Hα-helixtrans-52-35.3169.4-29.838.9000113A9 L25 W38 A39 I51A9-P35 HydrophobicContact CB-CB 3.9Å; A9-P35 WeakPolarHBondContact CB-O 3.31Å; L25-P35 HydrophobicContact CD2-CB 4.24Å; P35-W38 PolarHBondContact O-N 3.3Å; P35-A39 PolarHBondContact O-N 3.01Å; P35-I51 HydrophobicContact CB-CD1 4.16Å
36T94.5Very high92.3Very high0 Ų041.3 Ų41.30%021%0.212CC..Hα-helixtrans-63.4-40.7175.1-27.40000112.8T34 A40 L48 I51 V52 P68T34-T36 PolarHBondContact O-N 2.67Å; T34-T36 VanDerWaalsContact O-N 3.16Å; T34-T36 PolarHBondContact OG1-N 3.41Å; T36-A40 WeakPolarHBondContact O-CB 3.37Å; T36-A40 PolarHBondContact O-N 3.15Å; T36-L48 HydrophobicContact CG2-CD1 3.88Å; T36-I51 HydrophobicContact CG2-CG2 4.07Å; T36-V52 HydrophobicContact CG2-CG2 3.81Å; T36-P68 HydrophobicContact CG2-CG 4.28Å
37L94.4Very high92.5Very high0 Ų040 Ų400%021%0.205CC..Hα-helixtrans-67.8-44.1176.6-78.2152.2000111.1M33 T34 A40 Y41 D62 N66 P68 L71M33-L37 HydrophobicContact CB-CB 4.5Å; M33-L37 HydrophobicContact CE-CB 3.89Å; M33-L37 HydrophobicContact SD-CB 3.75Å; M33-L37 HydrophobicContact SD-CD1 4.36Å; M33-L37 HydrophobicContact SD-CD2 4.39Å; M33-L37 HydrophobicContact SD-CG 4.39Å; T34-L37 HydrophobicContact CG2-CD1 4.41Å; T34-L37 WeakPolarHBondContact O-CB 3.47Å; T34-L37 PolarHBondContact O-N 3.24Å; T34-L37 PolarHBondContact OG1-N 3Å; L37-A40 PolarHBondContact O-N 3.29Å; L37-Y41 WeakPolarHBondContact O-CB 3.32Å; L37-Y41 PolarHBondContact O-N 2.94Å; L37-D62 HydrophobicContact CD1-CB 4.42Å; L37-N66 WeakPolarHBondContact CD2-O 3.49Å; L37-P68 VanDerWaalsContact CD2-CD 3.49Å; L37-P68 HydrophobicContact CD2-CG 4.03Å; L37-P68 HydrophobicContact CG-CG 4.07Å; L37-L71 HydrophobicContact CB-CD1 4.07Å; L37-L71 HydrophobicContact CD2-CD1 3.51Å; L37-L71 HydrophobicContact CD2-CG 4.17Å; L37-L71 HydrophobicContact CG-CD1 4.43Å
38W94.7Very high92.7Very high56 Ų5639 Ų3921%0.21220%0.198CC..Hα-helixtrans-61.7-43.6176-80.4108.2000113.3H6 A9 R10 D29 M33 T34 P35 A40 Y41 H42H6-W38 AromaticContact CD2-CD1 3.71Å; H6-W38 AromaticContact CD2-NE1 3.89Å; A9-W38 HydrophobicContact CB-CB 4.29Å; R10-W38 HydrophobicContact CB-CB 4.48Å; R10-W38 HydrophobicContact CB-CE3 4.32Å; R10-W38 HydrophobicContact CG-CE3 3.83Å; R10-W38 HydrophobicContact CG-CZ3 4.26Å; D29-W38 PolarHBondContact OD2-NE1 3.3Å; M33-W38 HydrophobicContact CE-CD2 4.01Å; M33-W38 HydrophobicContact CE-CE3 4.36Å; M33-W38 HydrophobicContact CE-CG 4.26Å; M33-W38 HydrophobicContact CE-CZ2 4.5Å; T34-W38 PolarHBondContact O-N 3.39Å; P35-W38 PolarHBondContact O-N 3.3Å; W38-A40 VanDerWaalsContact C-N 3.33Å; W38-A40 PolarHBondContact O-N 3.21Å; W38-Y41 PolarHBondContact O-N 3.23Å; W38-H42 AromaticContact CE3-CD2 3.82Å; W38-H42 AromaticContact CE3-NE2 3.67Å; W38-H42 AromaticContact CZ3-NE2 3.63Å; W38-H42 PolarHBondContact O-CD2 2.7Å; W38-H42 PolarHBondContact O-N 2.58Å; W38-H42 VanDerWaalsContact O-N 3.13Å
39A95.3Very high92.9Very high0 Ų041.8 Ų41.80%020%0.2CC..Hα-helixtrans-64-37.4176.500000112.5A9 P35 G43 N44 A47 L48 I51A9-A39 HydrophobicContact CB-CB 4.18Å; P35-A39 PolarHBondContact O-N 3.01Å; A39-G43 PolarHBondContact O-N 2.76Å; A39-N44 PolarHBondContact O-N 3.12Å; A39-A47 HydrophobicContact CB-CB 4.24Å; A39-L48 HydrophobicContact CB-CB 4.06Å; A39-L48 HydrophobicContact CB-CD1 4.09Å; A39-I51 HydrophobicContact CB-CD1 3.96Å
40A95.6Very high93.2Very high0 Ų041.8 Ų41.80%020%0.2CC..Hα-helixtrans-71.5-40.2176.400000112.6T36 L37 W38 H42 G43 L48 P68 A72 L84T36-A40 WeakPolarHBondContact O-CB 3.37Å; T36-A40 PolarHBondContact O-N 3.15Å; L37-A40 PolarHBondContact O-N 3.29Å; W38-A40 VanDerWaalsContact C-N 3.33Å; W38-A40 PolarHBondContact O-N 3.21Å; A40-H42 PolarHBondContact O-N 3Å; A40-G43 PolarHBondContact O-N 2.8Å; A40-L48 HydrophobicContact CB-CD1 4.18Å; A40-L48 HydrophobicContact CB-CD2 4.3Å; A40-P68 HydrophobicContact CB-CB 3.71Å; A40-P68 WeakPolarHBondContact CB-O 3.45Å; A40-A72 HydrophobicContact CB-CB 4.47Å; A40-L84 HydrophobicContact CB-CD1 4.37Å
41Y95Very high93.6Very high93 Ų9332.7 Ų32.737%0.36516%0.158SC..Hα-helixtrans-62.4-37.6177.3-175-88.8000112.7L37 W38 L71 N75 H77L37-Y41 WeakPolarHBondContact O-CB 3.32Å; L37-Y41 PolarHBondContact O-N 2.94Å; W38-Y41 PolarHBondContact O-N 3.23Å; Y41-L71 HydrophobicContact CD2-CB 4.24Å; Y41-L71 HydrophobicContact CD2-CD1 4.19Å; Y41-L71 HydrophobicContact CD2-CD2 4.23Å; Y41-L71 HydrophobicContact CD2-CG 4.46Å; Y41-N75 WeakPolarHBondContact CD2-ND2 3.43Å; Y41-N75 VanDerWaalsContact CE2-ND2 3.29Å; Y41-N75 WeakPolarHBondContact CE2-ND2 3.49Å; Y41-N75 PolarHBondContact O-ND2 3.26Å; Y41-H77 PolarHBondContact O-CD2 3.19Å; Y41-H77 VanDerWaalsContact O-CD2 3.32Å; Y41-H77 PolarHBondContact O-NE2 3.12Å; Y41-H77 VanDerWaalsContact O-NE2 3.07Å
42H94.7Very high94.1Very high75 Ų7529 Ų2935%0.34714%0.138SC..THydrogen-bonded Turntrans-92.61.6178.1-74.1-83.7000114.7R10 W38 A40 N44R10-H42 WeakPolarHBondContact CG-CD2 3.44Å; R10-H42 WeakPolarHBondContact CG-NE2 3.27Å; W38-H42 AromaticContact CE3-CD2 3.82Å; W38-H42 AromaticContact CE3-NE2 3.67Å; W38-H42 AromaticContact CZ3-NE2 3.63Å; W38-H42 PolarHBondContact O-CD2 2.7Å; W38-H42 PolarHBondContact O-N 2.58Å; W38-H42 VanDerWaalsContact O-N 3.13Å; A40-H42 PolarHBondContact O-N 3Å; H42-N44 VanDerWaalsContact C-N 3.26Å; H42-N44 PolarHBondContact O-N 2.89Å
43G93.7Very high94.3Very high22 Ų2231.5 Ų31.523%0.22716%0.164CC..THydrogen-bonded Turntrans72.914.3179.100000114.8A39 A40 L45 H77 S80A39-G43 PolarHBondContact O-N 2.76Å; A40-G43 PolarHBondContact O-N 2.8Å; G43-L45 VanDerWaalsContact C-N 3.27Å; G43-L45 PolarHBondContact O-N 3.14Å; G43-H77 VanDerWaalsContact CA-CD2 3.41Å; G43-H77 WeakPolarHBondContact CA-CD2 3.44Å; G43-H77 VanDerWaalsContact CA-CG 3.42Å; G43-H77 PolarHBondContact N-CD2 3Å; G43-H77 PolarHBondContact N-NE2 3.17Å; G43-S80 PolarHBondContact O-OG 3.12Å
44N95.4Very high94.3Very high45 Ų4536.2 Ų36.224%0.24118%0.181CC..  trans-74.575.1-178.3-69.4-30.1000111.7A9 R10 G12 A39 H42 E46 A47 L48A9-N44 PolarHBondContact O-ND2 3.24Å; R10-N44 PolarHBondContact O-ND2 3.49Å; G12-N44 PolarHBondContact N-ND2 2.82Å; A39-N44 PolarHBondContact O-N 3.12Å; H42-N44 VanDerWaalsContact C-N 3.26Å; H42-N44 PolarHBondContact O-N 2.89Å; N44-E46 VanDerWaalsContact C-N 3.33Å; N44-E46 PolarHBondContact O-N 3.29Å; N44-A47 HydrophobicContact CB-CB 3.87Å; N44-A47 PolarHBondContact O-N 3.39Å; N44-A47 VanDerWaalsContact O-N 3.13Å; N44-L48 WeakPolarHBondContact O-CB 3.38Å; N44-L48 PolarHBondContact O-N 3.35Å
45L94.8Very high94.1Very high35 Ų3537.2 Ų37.218%0.18319%0.191CC..Hα-helixtrans-56-40-174.7164.7143.7000113.7G43 L48 R49 S79 F83G43-L45 VanDerWaalsContact C-N 3.27Å; G43-L45 PolarHBondContact O-N 3.14Å; L45-L48 PolarHBondContact O-N 2.89Å; L45-R49 WeakPolarHBondContact O-CB 3.23Å; L45-R49 VanDerWaalsContact O-CG 3.25Å; L45-R49 WeakPolarHBondContact O-CG 3.31Å; L45-R49 PolarHBondContact O-N 3.21Å; L45-S79 WeakPolarHBondContact CD1-O 3.34Å; L45-F83 HydrophobicContact CD1-CB 4.44Å
46E95.3Very high94Very high94 Ų9437.3 Ų37.344%0.43919%0.192SC..Hα-helixtrans-70.8-36.7178.5-70.7-56.3131.800112.6L14 N44 R49 L50L14-E46 HydrophobicContact CD1-CB 4.19Å; L14-E46 HydrophobicContact CD2-CB 4.01Å; N44-E46 VanDerWaalsContact C-N 3.33Å; N44-E46 PolarHBondContact O-N 3.29Å; E46-R49 WeakPolarHBondContact OE1-CD 3.42Å; E46-R49 IonicContact OE1-CZ 3.87Å; E46-R49 IonicContact OE1-NE 3.67Å; E46-R49 IonicContact OE1-NH1 2.85Å; E46-R49 PolarHBondContact OE1-NH1 2.85Å; E46-L50 WeakPolarHBondContact O-CB 3.32Å; E46-L50 PolarHBondContact O-N 3.16Å
47A95Very high93.9Very high1 Ų140.3 Ų40.31%0.00821%0.208CC..Hα-helixtrans-65.6-43171.700000110.7L14 L17 A39 N44 L50 I51L14-A47 HydrophobicContact CD2-CB 4.13Å; L17-A47 HydrophobicContact CD1-CB 3.61Å; A39-A47 HydrophobicContact CB-CB 4.24Å; N44-A47 HydrophobicContact CB-CB 3.87Å; N44-A47 PolarHBondContact O-N 3.39Å; N44-A47 VanDerWaalsContact O-N 3.13Å; A47-L50 PolarHBondContact O-N 2.87Å; A47-I51 WeakPolarHBondContact O-CB 3.25Å; A47-I51 WeakPolarHBondContact O-CD1 3.29Å; A47-I51 WeakPolarHBondContact O-CG1 3.47Å; A47-I51 PolarHBondContact O-N 2.67Å
48L95.1Very high93.7Very high0 Ų041.3 Ų41.30%021%0.214CC..Hα-helixtrans-62.1-45.7178.6-170.462.2000111.7T36 A39 A40 N44 L45 L50 I51 V52 F83 L84T36-L48 HydrophobicContact CG2-CD1 3.88Å; A39-L48 HydrophobicContact CB-CB 4.06Å; A39-L48 HydrophobicContact CB-CD1 4.09Å; A40-L48 HydrophobicContact CB-CD1 4.18Å; A40-L48 HydrophobicContact CB-CD2 4.3Å; N44-L48 WeakPolarHBondContact O-CB 3.38Å; N44-L48 PolarHBondContact O-N 3.35Å; L45-L48 PolarHBondContact O-N 2.89Å; L48-L50 PolarHBondContact O-N 2.97Å; L48-I51 PolarHBondContact O-N 3.26Å; L48-V52 HydrophobicContact CD1-CG2 4.37Å; L48-V52 WeakPolarHBondContact O-CB 3.49Å; L48-V52 VanDerWaalsContact O-CG2 3.28Å; L48-V52 WeakPolarHBondContact O-CG2 2.98Å; L48-V52 PolarHBondContact O-N 3.24Å; L48-F83 HydrophobicContact CD2-CD1 4Å; L48-F83 HydrophobicContact CG-CD1 3.98Å; L48-F83 HydrophobicContact CG-CE1 4.08Å; L48-L84 HydrophobicContact CD1-CD2 4.36Å; L48-L84 HydrophobicContact CD2-CD1 4.12Å; L48-L84 HydrophobicContact CD2-CD2 4.24Å; L48-L84 HydrophobicContact CD2-CG 3.97Å; L48-L84 HydrophobicContact CG-CD2 4.47Å
49R95Very high93.4Very high119 Ų11942.5 Ų42.545%0.44923%0.225SC..Hα-helixtrans-55-49.7172.5-79.3169170-171.2-4.8111.9L45 E46 G53 F83L45-R49 WeakPolarHBondContact O-CB 3.23Å; L45-R49 VanDerWaalsContact O-CG 3.25Å; L45-R49 WeakPolarHBondContact O-CG 3.31Å; L45-R49 PolarHBondContact O-N 3.21Å; E46-R49 WeakPolarHBondContact OE1-CD 3.42Å; E46-R49 IonicContact OE1-CZ 3.87Å; E46-R49 IonicContact OE1-NE 3.67Å; E46-R49 IonicContact OE1-NH1 2.85Å; E46-R49 PolarHBondContact OE1-NH1 2.85Å; R49-G53 PolarHBondContact O-N 3.45Å; R49-F83 HydrophobicContact CB-CE2 4.46Å; R49-F83 HydrophobicContact CB-CZ 4.25Å; R49-F83 HydrophobicContact CG-CD1 4.25Å; R49-F83 HydrophobicContact CG-CD2 3.78Å; R49-F83 HydrophobicContact CG-CE1 4.1Å; R49-F83 HydrophobicContact CG-CE2 3.61Å; R49-F83 HydrophobicContact CG-CG 4.11Å; R49-F83 HydrophobicContact CG-CZ 3.79Å
50L94.4Very high93.2Very high38 Ų3846.9 Ų46.920%0.19924%0.244CC..Hα-helixtrans-64.9-46.4-179.4-178.862.4000112.2L14 L17 K18 E46 A47 L48 G53 R54L14-L50 HydrophobicContact CB-CD2 4.26Å; L14-L50 HydrophobicContact CD2-CD2 4.36Å; L14-L50 WeakPolarHBondContact O-CD2 3.32Å; L17-L50 HydrophobicContact CB-CD2 3.65Å; L17-L50 HydrophobicContact CB-CG 4.43Å; K18-L50 HydrophobicContact CG-CD1 4.34Å; K18-L50 HydrophobicContact CG-CD2 3.91Å; E46-L50 WeakPolarHBondContact O-CB 3.32Å; E46-L50 PolarHBondContact O-N 3.16Å; A47-L50 PolarHBondContact O-N 2.87Å; L48-L50 PolarHBondContact O-N 2.97Å; L50-G53 PolarHBondContact O-N 2.97Å; L50-R54 HydrophobicContact CD1-CG 4.39Å; L50-R54 WeakPolarHBondContact O-CB 3.46Å; L50-R54 VanDerWaalsContact O-CG 3.28Å; L50-R54 WeakPolarHBondContact O-CG 3.39Å; L50-R54 PolarHBondContact O-N 3.5Å
51I93.9Very high93Very high1 Ų148 Ų481%0.00525%0.251CS..Hα-helixtrans-62.1-48.8-179.8-70.6164.2000110.8A9 L17 L25 P35 T36 A39 A47 L48 R54 G55 G56A9-I51 HydrophobicContact CB-CD1 3.63Å; L17-I51 HydrophobicContact CD1-CD1 4.06Å; L17-I51 HydrophobicContact CD1-CG1 4.24Å; L17-I51 HydrophobicContact CD2-CD1 4.01Å; L17-I51 HydrophobicContact CD2-CG1 4.05Å; L25-I51 HydrophobicContact CB-CG2 4.41Å; L25-I51 HydrophobicContact CD1-CG2 4.35Å; L25-I51 HydrophobicContact CD2-CB 4.5Å; L25-I51 HydrophobicContact CD2-CG1 4Å; L25-I51 HydrophobicContact CD2-CG2 4.11Å; P35-I51 HydrophobicContact CB-CD1 4.16Å; T36-I51 HydrophobicContact CG2-CG2 4.07Å; A39-I51 HydrophobicContact CB-CD1 3.96Å; A47-I51 WeakPolarHBondContact O-CB 3.25Å; A47-I51 WeakPolarHBondContact O-CD1 3.29Å; A47-I51 WeakPolarHBondContact O-CG1 3.47Å; A47-I51 PolarHBondContact O-N 2.67Å; L48-I51 PolarHBondContact O-N 3.26Å; I51-R54 CarbonylContact O-C 3.6Å; I51-R54 PolarHBondContact O-N 2.94Å; I51-G55 PolarHBondContact O-N 3.42Å; I51-G56 PolarHBondContact O-N 3.05Å
52V93.4Very high92.8Very high5 Ų544 Ų443%0.0324%0.237CC..Hα-helixtrans-65.6-42.6179.4172.20000110.7T36 L48 R54 G55 F83 F87T36-V52 HydrophobicContact CG2-CG2 3.81Å; L48-V52 HydrophobicContact CD1-CG2 4.37Å; L48-V52 WeakPolarHBondContact O-CB 3.49Å; L48-V52 VanDerWaalsContact O-CG2 3.28Å; L48-V52 WeakPolarHBondContact O-CG2 2.98Å; L48-V52 PolarHBondContact O-N 3.24Å; V52-R54 PolarHBondContact O-N 3.24Å; V52-G55 PolarHBondContact O-N 3.3Å; V52-F83 HydrophobicContact CB-CE1 4.19Å; V52-F83 HydrophobicContact CB-CZ 4.25Å; V52-F83 HydrophobicContact CG1-CE1 4.45Å; V52-F83 HydrophobicContact CG1-CZ 4.27Å; V52-F83 HydrophobicContact CG2-CE1 4.22Å; V52-F87 HydrophobicContact CG1-CD1 3.6Å; V52-F87 HydrophobicContact CG1-CD2 3.56Å; V52-F87 HydrophobicContact CG1-CE1 3.39Å; V52-F87 HydrophobicContact CG1-CE2 3.36Å; V52-F87 HydrophobicContact CG1-CG 3.69Å; V52-F87 HydrophobicContact CG1-CZ 3.27Å
53G91.9Very high92.4Very high65 Ų6544.9 Ų44.967%0.6724%0.243SC*.Hα-helixtrans-62.3-24.7173.800000114.6R49 L50R49-G53 PolarHBondContact O-N 3.45Å; L50-G53 PolarHBondContact O-N 2.97Å
54R91.5Very high92.1Very high111 Ų11150.8 Ų50.842%0.41926%0.258SS..THydrogen-bonded Turntrans-89.55172.4-68.1-61.6-167.984.31.7113.9K18 L25 L50 I51 V52K18-R54 VanDerWaalsContact O-CZ 3.31Å; K18-R54 PolarHBondContact O-NH1 3.28Å; K18-R54 PolarHBondContact O-NH2 3.49Å; L25-R54 HydrophobicContact CD1-CB 3.53Å; L50-R54 HydrophobicContact CD1-CG 4.39Å; L50-R54 WeakPolarHBondContact O-CB 3.46Å; L50-R54 VanDerWaalsContact O-CG 3.28Å; L50-R54 WeakPolarHBondContact O-CG 3.39Å; L50-R54 PolarHBondContact O-N 3.5Å; I51-R54 CarbonylContact O-C 3.6Å; I51-R54 PolarHBondContact O-N 2.94Å; V52-R54 PolarHBondContact O-N 3.24Å
55G89.6Confident91.8Very high21 Ų2148.6 Ų48.622%0.21625%0.247CC..THydrogen-bonded Turntrans90.222.7175.500000115.1R22 N26 I51 V52R22-G55 WeakPolarHBondContact CG-O 3.42Å; R22-G55 PolarHBondContact NE-O 2.66Å; N26-G55 PolarHBondContact ND2-O 3.3Å; I51-G55 PolarHBondContact O-N 3.42Å; V52-G55 PolarHBondContact O-N 3.3Å
56G91.5Very high91.7Very high2 Ų248 Ų482%0.02124%0.243CC..  trans-64.2128.3160.100000110.2I51 P58I51-G56 PolarHBondContact O-N 3.05Å; G56-P58 WeakPolarHBondContact O-CD 3.32Å
57D90.8Very high91.7Very high64 Ų6443.6 Ų43.634%0.34222%0.223SC..  trans-81.7117.7-172.1-62.4-24.7000110.1R22 N26 D59 K60R22-D57 IonicContact CZ-OD1 3.2Å; R22-D57 IonicContact NH2-OD1 2.71Å; R22-D57 PolarHBondContact NH2-OD1 3.47Å; N26-D57 WeakPolarHBondContact OD1-CB 3.45Å; N26-D57 PolarHBondContact OD1-N 2.99Å; D57-D59 PolarHBondContact O-N 2.66Å; D57-K60 HydrophobicContact CB-CB 4.34Å; D57-K60 WeakPolarHBondContact O-CB 3.37Å; D57-K60 PolarHBondContact O-N 3.21Å
58P90.8Very high91.7Very high20 Ų2043.5 Ų43.513%0.1322%0.223CC..THydrogen-bonded Turntrans-80.3-12.4-174.133.2-38000114.3G56 P68 L84 F87G56-P58 WeakPolarHBondContact O-CD 3.32Å; P58-P68 VanDerWaalsContact O-CD 3.3Å; P58-P68 WeakPolarHBondContact O-CD 3.41Å; P58-P68 WeakPolarHBondContact O-CG 3.42Å; P58-L84 HydrophobicContact CB-CD2 4Å; P58-F87 HydrophobicContact CG-CD1 3.85Å; P58-F87 HydrophobicContact CG-CE1 3.89Å
59D89.3Confident91.8Very high82 Ų8243.6 Ų43.644%0.43922%0.223SC..THydrogen-bonded Turntrans-90-2.8174.1-75.7-30.6000112.6D57 N90D57-D59 PolarHBondContact O-N 2.66Å; D59-N90 PolarHBondContact OD1-N 3.2Å
60K89.6Confident91.8Very high92 Ų9237.9 Ų37.940%0.420%0.202SC..  trans-68.5146.4177.5-171.164.1177.7-176.70109.7T34 D57 P68T34-K60 HydrophobicContact CG2-CG 3.81Å; D57-K60 HydrophobicContact CB-CB 4.34Å; D57-K60 WeakPolarHBondContact O-CB 3.37Å; D57-K60 PolarHBondContact O-N 3.21Å; K60-P68 WeakPolarHBondContact O-CD 3.38Å
61C91.3Very high91.8Very high22 Ų2236.7 Ų36.715%0.14920%0.195CC..  trans-128.1160.9-176.564.50000112.6G65 N66 T67 R146C61-G65 WeakPolarHBondContact CB-O 3.36Å; C61-N66 WeakPolarHBondContact CA-O 3.43Å; C61-N66 WeakPolarHBondContact CB-O 3.32Å; C61-T67 HydrophobicContact CB-CG2 4.38Å; C61-R146 PolarHBondContact SG-NE 3.13Å
62D90.9Very high91.9Very high10 Ų1036.6 Ų36.65%0.05320%0.195CC..  trans-74.1-172.5170.267.513.6000112.6M33 L37 W64 G65 N66M33-D62 HydrophobicContact CG-CB 4.24Å; M33-D62 HydrophobicContact SD-CB 3.8Å; L37-D62 HydrophobicContact CD1-CB 4.42Å; D62-W64 VanDerWaalsContact C-N 3.29Å; D62-W64 HydrophobicContact CB-CE3 4.44Å; D62-W64 PolarHBondContact O-N 2.86Å; D62-W64 VanDerWaalsContact OD1-C 3.3Å; D62-W64 WeakPolarHBondContact OD1-CA 3.33Å; D62-W64 PolarHBondContact OD1-N 3.22Å; D62-G65 PolarHBondContact O-N 3.08Å; D62-G65 PolarHBondContact OD1-N 3.21Å; D62-N66 PolarHBondContact N-O 3.3Å; D62-N66 VanDerWaalsContact N-O 3.12Å; D62-N66 PolarHBondContact OD1-N 3.14Å; D62-N66 WeakPolarHBondContact OD2-CB 3.39Å; D62-N66 PolarHBondContact OD2-ND2 3.49Å
63I87.1Confident92.1Very high93 Ų9336.4 Ų36.448%0.47719%0.193SC..THydrogen-bonded Turntrans-66.7-25.2175.960.2-178.8000114.1D31 G65 N96D31-I63 WeakPolarHBondContact O-CG1 3.48Å; D31-I63 WeakPolarHBondContact O-CG2 3.47Å; D31-I63 PolarHBondContact O-N 2.79Å; I63-G65 VanDerWaalsContact C-N 3.33Å; I63-N96 PolarHBondContact O-ND2 3.24Å
64W87.5Confident92.2Very high146 Ų14633.7 Ų33.755%0.55317%0.165SC*.THydrogen-bonded Turntrans-87.8-3.5178.1-59.3-73.4000112.8D62 N96D62-W64 VanDerWaalsContact C-N 3.29Å; D62-W64 HydrophobicContact CB-CE3 4.44Å; D62-W64 PolarHBondContact O-N 2.86Å; D62-W64 VanDerWaalsContact OD1-C 3.3Å; D62-W64 WeakPolarHBondContact OD1-CA 3.33Å; D62-W64 PolarHBondContact OD1-N 3.22Å; W64-N96 VanDerWaalsContact C-CG 3.43Å; W64-N96 WeakPolarHBondContact CA-ND2 3.34Å; W64-N96 VanDerWaalsContact O-CB 3.23Å; W64-N96 WeakPolarHBondContact O-CB 3.39Å; W64-N96 PolarHBondContact O-N 2.7Å; W64-N96 PolarHBondContact O-ND2 3.42Å
65G89.7Confident92.4Very high0 Ų030.8 Ų30.80%016%0.158CC..  trans88.6-1.4178.800000114.2C61 D62 I63 T67C61-G65 WeakPolarHBondContact CB-O 3.36Å; D62-G65 PolarHBondContact O-N 3.08Å; D62-G65 PolarHBondContact OD1-N 3.21Å; I63-G65 VanDerWaalsContact C-N 3.33Å; G65-T67 PolarHBondContact O-N 2.95Å
66N93.1Very high92.6Very high21 Ų2131.1 Ų31.111%0.11216%0.161CC..  trans-64.7131178.1-55.3-62.7000109.9L37 C61 D62 H70 L71L37-N66 WeakPolarHBondContact CD2-O 3.49Å; C61-N66 WeakPolarHBondContact CA-O 3.43Å; C61-N66 WeakPolarHBondContact CB-O 3.32Å; D62-N66 PolarHBondContact N-O 3.3Å; D62-N66 VanDerWaalsContact N-O 3.12Å; D62-N66 PolarHBondContact OD1-N 3.14Å; D62-N66 WeakPolarHBondContact OD2-CB 3.39Å; D62-N66 PolarHBondContact OD2-ND2 3.49Å; N66-H70 HydrophobicContact CB-CB 3.99Å; N66-L71 HydrophobicContact CB-CD2 3.67Å; N66-L71 HydrophobicContact CB-CG 4.15Å
67T94.6Very high92.9Very high2 Ų233.7 Ų33.71%0.01217%0.172CC..  trans-89.6165.7168.263.80000110.2C61 G65 L69 H70 L71 C93C61-T67 HydrophobicContact CB-CG2 4.38Å; G65-T67 PolarHBondContact O-N 2.95Å; T67-L69 PolarHBondContact O-N 3.1Å; T67-L69 PolarHBondContact OG1-N 2.96Å; T67-H70 PolarHBondContact N-ND1 3.15Å; T67-H70 WeakPolarHBondContact O-CB 3.47Å; T67-H70 PolarHBondContact O-N 3.3Å; T67-H70 PolarHBondContact OG1-N 2.73Å; T67-H70 PolarHBondContact OG1-ND1 3.35Å; T67-L71 PolarHBondContact O-N 3.46Å; T67-L71 VanDerWaalsContact O-N 3.12Å; T67-C93 HydrophobicContact CG2-CB 3.99Å; T67-C93 PolarHBondContact OG1-SG 3.5Å
68P95.2Very high93.1Very high0 Ų033.7 Ų33.70%017%0.172CC..Hα-helixtrans-45.4-34.1167.9-33.335.8000113.8T36 L37 A40 P58 K60 L71 A72 L84T36-P68 HydrophobicContact CG2-CG 4.28Å; L37-P68 VanDerWaalsContact CD2-CD 3.49Å; L37-P68 HydrophobicContact CD2-CG 4.03Å; L37-P68 HydrophobicContact CG-CG 4.07Å; A40-P68 HydrophobicContact CB-CB 3.71Å; A40-P68 WeakPolarHBondContact CB-O 3.45Å; P58-P68 VanDerWaalsContact O-CD 3.3Å; P58-P68 WeakPolarHBondContact O-CD 3.41Å; P58-P68 WeakPolarHBondContact O-CG 3.42Å; K60-P68 WeakPolarHBondContact O-CD 3.38Å; P68-L71 PolarHBondContact O-N 3.12Å; P68-A72 WeakPolarHBondContact O-CB 3.25Å; P68-A72 PolarHBondContact O-N 3.02Å; P68-L84 HydrophobicContact CB-CD1 3.73Å; P68-L84 HydrophobicContact CB-CD2 4.12Å
69L95.8Very high93.3Very high1 Ų136.1 Ų36.11%0.00519%0.189CC..Hα-helixtrans-69.7-39.5178.4-158.469.8000112.5T67 A73 L81 L84 V85 L91 P101T67-L69 PolarHBondContact O-N 3.1Å; T67-L69 PolarHBondContact OG1-N 2.96Å; L69-A73 WeakPolarHBondContact O-CB 3.27Å; L69-A73 PolarHBondContact O-N 3.12Å; L69-L81 HydrophobicContact CD1-CG 4.11Å; L69-L84 HydrophobicContact CD1-CB 3.7Å; L69-L84 HydrophobicContact CD1-CD1 4.2Å; L69-V85 HydrophobicContact CD1-CG2 3.85Å; L69-L91 HydrophobicContact CD2-CD2 4.18Å; L69-P101 HydrophobicContact CB-CG 4.08Å; L69-P101 HydrophobicContact CD2-CB 4.3Å; L69-P101 HydrophobicContact CD2-CG 3.85Å; L69-P101 HydrophobicContact CG-CB 4.08Å; L69-P101 HydrophobicContact CG-CG 3.93Å
70H95.8Very high93.6Very high0 Ų032.3 Ų32.30%017%0.169CC..Hα-helixtrans-64.2-43.9172.9-67.883.9000111.2N66 T67 A73 A74 C93 D95 H99N66-H70 HydrophobicContact CB-CB 3.99Å; T67-H70 PolarHBondContact N-ND1 3.15Å; T67-H70 WeakPolarHBondContact O-CB 3.47Å; T67-H70 PolarHBondContact O-N 3.3Å; T67-H70 PolarHBondContact OG1-N 2.73Å; T67-H70 PolarHBondContact OG1-ND1 3.35Å; H70-A73 PolarHBondContact O-N 3.44Å; H70-A74 VanDerWaalsContact O-CB 3.22Å; H70-A74 WeakPolarHBondContact O-CB 3.46Å; H70-A74 PolarHBondContact O-N 2.95Å; H70-C93 PolarHBondContact CE1-O 2.94Å; H70-C93 PolarHBondContact CE1-SG 3.43Å; H70-D95 PolarHBondContact NE2-N 3.23Å; H70-H99 PolarHBondContact NE2-O 2.83Å; H70-H99 VanDerWaalsContact NE2-O 3.16Å
71L95.1Very high93.9Very high12 Ų1227.9 Ų27.96%0.06315%0.15CC..Hα-helixtrans-68.7-42.6-177.9-59.4-171.2000112.3M33 L37 Y41 N66 T67 P68 A73 A74 N75M33-L71 HydrophobicContact CE-CD1 3.72Å; M33-L71 HydrophobicContact SD-CD1 3.86Å; L37-L71 HydrophobicContact CB-CD1 4.07Å; L37-L71 HydrophobicContact CD2-CD1 3.51Å; L37-L71 HydrophobicContact CD2-CG 4.17Å; L37-L71 HydrophobicContact CG-CD1 4.43Å; Y41-L71 HydrophobicContact CD2-CB 4.24Å; Y41-L71 HydrophobicContact CD2-CD1 4.19Å; Y41-L71 HydrophobicContact CD2-CD2 4.23Å; Y41-L71 HydrophobicContact CD2-CG 4.46Å; N66-L71 HydrophobicContact CB-CD2 3.67Å; N66-L71 HydrophobicContact CB-CG 4.15Å; T67-L71 PolarHBondContact O-N 3.46Å; T67-L71 VanDerWaalsContact O-N 3.12Å; P68-L71 PolarHBondContact O-N 3.12Å; L71-A73 VanDerWaalsContact C-N 3.3Å; L71-A73 PolarHBondContact O-N 3.26Å; L71-A74 PolarHBondContact O-N 3.36Å; L71-N75 PolarHBondContact O-N 2.83Å
72A96.3Very high94.1Very high0 Ų028.5 Ų28.50%015%0.154CC..Hα-helixtrans-63.5-36.6174.100000112A40 P68 G76 H77 L81 L84A40-A72 HydrophobicContact CB-CB 4.47Å; P68-A72 WeakPolarHBondContact O-CB 3.25Å; P68-A72 PolarHBondContact O-N 3.02Å; A72-G76 PolarHBondContact O-N 3.16Å; A72-H77 HydrophobicContact CB-CB 4.43Å; A72-H77 PolarHBondContact O-N 2.84Å; A72-L81 HydrophobicContact CB-CB 4.1Å; A72-L84 HydrophobicContact CB-CD1 4.39Å
73A96.3Very high94.4Very high0 Ų029.8 Ų29.80%016%0.159CC..Hα-helixtrans-69.9-44.9176.600000112.8L69 H70 L71 N75 G76 L81 P101 A105 H110 L117L69-A73 WeakPolarHBondContact O-CB 3.27Å; L69-A73 PolarHBondContact O-N 3.12Å; H70-A73 PolarHBondContact O-N 3.44Å; L71-A73 VanDerWaalsContact C-N 3.3Å; L71-A73 PolarHBondContact O-N 3.26Å; A73-N75 VanDerWaalsContact C-N 3.25Å; A73-N75 PolarHBondContact O-N 3.12Å; A73-G76 PolarHBondContact O-N 3.2Å; A73-L81 HydrophobicContact CB-CD1 3.76Å; A73-P101 HydrophobicContact CB-CB 4.03Å; A73-P101 VanDerWaalsContact CB-O 3.23Å; A73-P101 WeakPolarHBondContact CB-O 3.29Å; A73-A105 HydrophobicContact CB-CB 4.11Å; A73-H110 PolarHBondContact O-CD2 3.35Å; A73-L117 HydrophobicContact CB-CD1 4.33Å
74A95.4Very high94.8Very high8 Ų825.4 Ų25.47%0.06614%0.137CC..Hα-helixtrans-68.1-20.2-178.900000114.3H70 L71 M104 K108 H110H70-A74 VanDerWaalsContact O-CB 3.22Å; H70-A74 WeakPolarHBondContact O-CB 3.46Å; H70-A74 PolarHBondContact O-N 2.95Å; L71-A74 PolarHBondContact O-N 3.36Å; A74-M104 HydrophobicContact CB-CB 4.33Å; A74-M104 HydrophobicContact CB-CE 4.12Å; A74-K108 HydrophobicContact CB-CG 4.43Å; A74-K108 WeakPolarHBondContact O-CG 3.26Å; A74-H110 PolarHBondContact O-CD2 2.82Å; A74-H110 PolarHBondContact O-NE2 3.01Å
75N94.8Very high95.1Very high51 Ų5119 Ų1927%0.27311%0.114SC..THydrogen-bonded Turntrans-1107.1177.3-64.8-8.8000113.1Y41 L71 A73 H77Y41-N75 WeakPolarHBondContact CD2-ND2 3.43Å; Y41-N75 VanDerWaalsContact CE2-ND2 3.29Å; Y41-N75 WeakPolarHBondContact CE2-ND2 3.49Å; Y41-N75 PolarHBondContact O-ND2 3.26Å; L71-N75 PolarHBondContact O-N 2.83Å; A73-N75 VanDerWaalsContact C-N 3.25Å; A73-N75 PolarHBondContact O-N 3.12Å; N75-H77 PolarHBondContact O-N 2.66Å
76G94.9Very high95.3Very high27 Ų2723.2 Ų23.228%0.27815%0.148SC..THydrogen-bonded Turntrans74.416.6174.200000115.7A72 A73 L78 H110 C113A72-G76 PolarHBondContact O-N 3.16Å; A73-G76 PolarHBondContact O-N 3.2Å; G76-L78 VanDerWaalsContact C-N 3.31Å; G76-L78 PolarHBondContact O-N 3.35Å; G76-H110 VanDerWaalsContact CA-CG 3.47Å; G76-H110 PolarHBondContact N-CD2 3.2Å; G76-H110 PolarHBondContact N-NE2 3.41Å; G76-C113 VanDerWaalsContact C-SG 3.58Å
77H96.2Very high95.2Very high57 Ų5727.1 Ų27.126%0.26417%0.165SC..  trans-81.869.8-175.4-62.3-43.6000112.8Y41 G43 A72 N75 S79 S80 L81Y41-H77 PolarHBondContact O-CD2 3.19Å; Y41-H77 VanDerWaalsContact O-CD2 3.32Å; Y41-H77 PolarHBondContact O-NE2 3.12Å; Y41-H77 VanDerWaalsContact O-NE2 3.07Å; G43-H77 VanDerWaalsContact CA-CD2 3.41Å; G43-H77 WeakPolarHBondContact CA-CD2 3.44Å; G43-H77 VanDerWaalsContact CA-CG 3.42Å; G43-H77 PolarHBondContact N-CD2 3Å; G43-H77 PolarHBondContact N-NE2 3.17Å; A72-H77 HydrophobicContact CB-CB 4.43Å; A72-H77 PolarHBondContact O-N 2.84Å; N75-H77 PolarHBondContact O-N 2.66Å; H77-S79 VanDerWaalsContact C-N 3.26Å; H77-S79 PolarHBondContact O-N 3.13Å; H77-S79 VanDerWaalsContact O-N 3.16Å; H77-S80 PolarHBondContact O-N 3.07Å; H77-S80 VanDerWaalsContact O-N 3.11Å; H77-L81 WeakPolarHBondContact O-CB 3.42Å; H77-L81 PolarHBondContact O-N 3.14Å
78L95.3Very high95Very high63 Ų6329.9 Ų29.933%0.3319%0.193SC..Hα-helixtrans-49.8-41.1-177.6179.162.2000113.8G76 L81 S82 D112 Y116G76-L78 VanDerWaalsContact C-N 3.31Å; G76-L78 PolarHBondContact O-N 3.35Å; L78-L81 PolarHBondContact O-N 3.19Å; L78-S82 WeakPolarHBondContact O-CB 3.35Å; L78-S82 PolarHBondContact O-N 3.27Å; L78-S82 PolarHBondContact O-OG 2.97Å; L78-D112 HydrophobicContact CD2-CB 4.27Å; L78-Y116 HydrophobicContact CD1-CD1 4.26Å; L78-Y116 HydrophobicContact CD1-CD2 4.04Å; L78-Y116 HydrophobicContact CD1-CG 3.68Å
79S96.2Very high94.9Very high72 Ų7230.2 Ų30.250%0.50320%0.196SC..Hα-helixtrans-65.7-46.6-179.7-38.30000111.7L45 H77 L81 S82 F83L45-S79 WeakPolarHBondContact CD1-O 3.34Å; H77-S79 VanDerWaalsContact C-N 3.26Å; H77-S79 PolarHBondContact O-N 3.13Å; H77-S79 VanDerWaalsContact O-N 3.16Å; S79-L81 VanDerWaalsContact C-N 3.35Å; S79-S82 PolarHBondContact O-OG 2.89Å; S79-F83 PolarHBondContact O-N 3.2Å; S79-F83 VanDerWaalsContact O-N 3.09Å
80S95.8Very high94.7Very high1 Ų130.9 Ų30.91%0.00720%0.199CC..Hα-helixtrans-65.5-38.9175.4-70.10000112.1G43 H77 F83 L84G43-S80 PolarHBondContact O-OG 3.12Å; H77-S80 PolarHBondContact O-N 3.07Å; H77-S80 VanDerWaalsContact O-N 3.11Å; S80-F83 PolarHBondContact O-N 2.7Å; S80-L84 WeakPolarHBondContact O-CG 3.39Å; S80-L84 PolarHBondContact O-N 3.33Å
81L95.5Very high94.6Very high0 Ų031.3 Ų31.30%020%0.202CC..Hα-helixtrans-63.3-51.3177.3-175.1157.6000111L69 A72 A73 H77 L78 S79 F83 L84 V85 C113 Y116 L117L69-L81 HydrophobicContact CD1-CG 4.11Å; A72-L81 HydrophobicContact CB-CB 4.1Å; A73-L81 HydrophobicContact CB-CD1 3.76Å; H77-L81 WeakPolarHBondContact O-CB 3.42Å; H77-L81 PolarHBondContact O-N 3.14Å; L78-L81 PolarHBondContact O-N 3.19Å; S79-L81 VanDerWaalsContact C-N 3.35Å; L81-F83 VanDerWaalsContact C-N 3.3Å; L81-F83 PolarHBondContact O-N 3.27Å; L81-L84 PolarHBondContact O-N 3.11Å; L81-L84 VanDerWaalsContact O-N 3.12Å; L81-V85 HydrophobicContact CD2-CG2 4.18Å; L81-V85 WeakPolarHBondContact O-CG2 3.25Å; L81-V85 PolarHBondContact O-N 3.21Å; L81-C113 HydrophobicContact CD1-CB 4Å; L81-Y116 HydrophobicContact CD2-CD1 3.33Å; L81-Y116 HydrophobicContact CD2-CE1 3.55Å; L81-Y116 HydrophobicContact CD2-CG 4.42Å; L81-L117 HydrophobicContact CD1-CD1 4.04Å; L81-L117 HydrophobicContact CD1-CD2 4.34Å; L81-L117 HydrophobicContact CD1-CG 4.11Å; L81-L117 HydrophobicContact CD2-CD2 3.8Å; L81-L117 HydrophobicContact CD2-CG 4.01Å; L81-L117 HydrophobicContact CG-CD2 4.37Å
82S95.5Very high94.5Very high34 Ų3431.7 Ų31.724%0.23820%0.203CC..Hα-helixtrans-61.5-36.6178.257.60000112.6L78 S79 V85 A86 Y116L78-S82 WeakPolarHBondContact O-CB 3.35Å; L78-S82 PolarHBondContact O-N 3.27Å; L78-S82 PolarHBondContact O-OG 2.97Å; S79-S82 PolarHBondContact O-OG 2.89Å; S82-V85 PolarHBondContact O-N 2.96Å; S82-A86 VanDerWaalsContact O-CB 3.31Å; S82-A86 WeakPolarHBondContact O-CB 3.47Å; S82-A86 PolarHBondContact O-N 2.92Å; S82-Y116 WeakPolarHBondContact CA-OH 3.23Å; S82-Y116 VanDerWaalsContact CB-CZ 3.42Å; S82-Y116 WeakPolarHBondContact CB-OH 3.37Å
83F96.1Very high94.4Very high38 Ų3832.1 Ų32.117%0.16721%0.205CC..Hα-helixtrans-61.1-46.6171.1170.6-105.7000112.6L45 L48 R49 V52 S79 S80 L81 V85 A86 F87L45-F83 HydrophobicContact CD1-CB 4.44Å; L48-F83 HydrophobicContact CD2-CD1 4Å; L48-F83 HydrophobicContact CG-CD1 3.98Å; L48-F83 HydrophobicContact CG-CE1 4.08Å; R49-F83 HydrophobicContact CB-CE2 4.46Å; R49-F83 HydrophobicContact CB-CZ 4.25Å; R49-F83 HydrophobicContact CG-CD1 4.25Å; R49-F83 HydrophobicContact CG-CD2 3.78Å; R49-F83 HydrophobicContact CG-CE1 4.1Å; R49-F83 HydrophobicContact CG-CE2 3.61Å; R49-F83 HydrophobicContact CG-CG 4.11Å; R49-F83 HydrophobicContact CG-CZ 3.79Å; V52-F83 HydrophobicContact CB-CE1 4.19Å; V52-F83 HydrophobicContact CB-CZ 4.25Å; V52-F83 HydrophobicContact CG1-CE1 4.45Å; V52-F83 HydrophobicContact CG1-CZ 4.27Å; V52-F83 HydrophobicContact CG2-CE1 4.22Å; S79-F83 PolarHBondContact O-N 3.2Å; S79-F83 VanDerWaalsContact O-N 3.09Å; S80-F83 PolarHBondContact O-N 2.7Å; L81-F83 VanDerWaalsContact C-N 3.3Å; L81-F83 PolarHBondContact O-N 3.27Å; F83-V85 VanDerWaalsContact C-N 3.35Å; F83-V85 PolarHBondContact O-N 2.82Å; F83-A86 PolarHBondContact O-N 3.33Å; F83-F87 HydrophobicContact CZ-CD2 4.43Å; F83-F87 WeakPolarHBondContact O-CB 3.3Å; F83-F87 PolarHBondContact O-N 2.97Å
84L95.2Very high94.3Very high0 Ų033.2 Ų33.20%021%0.211CC..Hα-helixtrans-62.8-40.4178.6-72.1166.2000112.1A40 L48 P58 P68 L69 A72 S80 L81 F87 G88 A89A40-L84 HydrophobicContact CB-CD1 4.37Å; L48-L84 HydrophobicContact CD1-CD2 4.36Å; L48-L84 HydrophobicContact CD2-CD1 4.12Å; L48-L84 HydrophobicContact CD2-CD2 4.24Å; L48-L84 HydrophobicContact CD2-CG 3.97Å; L48-L84 HydrophobicContact CG-CD2 4.47Å; P58-L84 HydrophobicContact CB-CD2 4Å; P68-L84 HydrophobicContact CB-CD1 3.73Å; P68-L84 HydrophobicContact CB-CD2 4.12Å; L69-L84 HydrophobicContact CD1-CB 3.7Å; L69-L84 HydrophobicContact CD1-CD1 4.2Å; A72-L84 HydrophobicContact CB-CD1 4.39Å; S80-L84 WeakPolarHBondContact O-CG 3.39Å; S80-L84 PolarHBondContact O-N 3.33Å; L81-L84 PolarHBondContact O-N 3.11Å; L81-L84 VanDerWaalsContact O-N 3.12Å; L84-F87 PolarHBondContact O-N 3.09Å; L84-G88 PolarHBondContact O-N 2.83Å; L84-A89 HydrophobicContact CB-CB 4.2Å; L84-A89 WeakPolarHBondContact O-CB 3.49Å; L84-A89 PolarHBondContact O-N 3.32Å
85V94.3Very high94.2Very high13 Ų1333.2 Ų33.28%0.07921%0.21CC..Hα-helixtrans-65-44.4175.2178.30000111.1L69 L81 S82 F83 F87 G88 L91 Y116L69-V85 HydrophobicContact CD1-CG2 3.85Å; L81-V85 HydrophobicContact CD2-CG2 4.18Å; L81-V85 WeakPolarHBondContact O-CG2 3.25Å; L81-V85 PolarHBondContact O-N 3.21Å; S82-V85 PolarHBondContact O-N 2.96Å; F83-V85 VanDerWaalsContact C-N 3.35Å; F83-V85 PolarHBondContact O-N 2.82Å; V85-F87 VanDerWaalsContact C-N 3.3Å; V85-F87 PolarHBondContact O-N 3.16Å; V85-G88 PolarHBondContact O-N 3.41Å; V85-L91 HydrophobicContact CB-CD2 4.41Å; V85-L91 HydrophobicContact CG1-CD1 4.5Å; V85-L91 HydrophobicContact CG1-CD2 4.02Å; V85-L91 HydrophobicContact CG1-CG 4.37Å; V85-L91 HydrophobicContact CG2-CD2 3.47Å; V85-L91 VanDerWaalsContact CG2-CD2 3.47Å; V85-L91 HydrophobicContact CG2-CG 4.47Å; V85-Y116 HydrophobicContact CB-CE1 4.3Å; V85-Y116 HydrophobicContact CG2-CE1 4.14Å
86A93.4Very high94Very high87 Ų8732.7 Ų32.772%0.71921%0.207SC*.Hα-helixtrans-64.6-32176.500000113S82 F83 G88S82-A86 VanDerWaalsContact O-CB 3.31Å; S82-A86 WeakPolarHBondContact O-CB 3.47Å; S82-A86 PolarHBondContact O-N 2.92Å; F83-A86 PolarHBondContact O-N 3.33Å; A86-G88 PolarHBondContact O-N 3.07Å
87F92.4Very high93.7Very high104 Ų10437.2 Ų37.246%0.45623%0.225SC..THydrogen-bonded Turntrans-72.5-13.3172.9-167.8-94.9000113.2V52 P58 F83 L84 V85V52-F87 HydrophobicContact CG1-CD1 3.6Å; V52-F87 HydrophobicContact CG1-CD2 3.56Å; V52-F87 HydrophobicContact CG1-CE1 3.39Å; V52-F87 HydrophobicContact CG1-CE2 3.36Å; V52-F87 HydrophobicContact CG1-CG 3.69Å; V52-F87 HydrophobicContact CG1-CZ 3.27Å; P58-F87 HydrophobicContact CG-CD1 3.85Å; P58-F87 HydrophobicContact CG-CE1 3.89Å; F83-F87 HydrophobicContact CZ-CD2 4.43Å; F83-F87 WeakPolarHBondContact O-CB 3.3Å; F83-F87 PolarHBondContact O-N 2.97Å; L84-F87 PolarHBondContact O-N 3.09Å; V85-F87 VanDerWaalsContact C-N 3.3Å; V85-F87 PolarHBondContact O-N 3.16Å
88G90.4Very high93.6Very high59 Ų5939.1 Ų39.161%0.60823%0.231SC*.THydrogen-bonded Turntrans93.222.9178.400000114.9L84 V85 A86L84-G88 PolarHBondContact O-N 2.83Å; V85-G88 PolarHBondContact O-N 3.41Å; A86-G88 PolarHBondContact O-N 3.07Å
89A92.4Very high93.5Very high7 Ų740 Ų406%0.05823%0.233CC..  trans-59.1146.4168.200000111L84 L91L84-A89 HydrophobicContact CB-CB 4.2Å; L84-A89 WeakPolarHBondContact O-CB 3.49Å; L84-A89 PolarHBondContact O-N 3.32Å; A89-L91 PolarHBondContact O-N 2.87Å; A89-L91 VanDerWaalsContact O-N 3.1Å
90N91.6Very high93.5Very high15 Ų1537.9 Ų37.98%0.0822%0.217CC..  trans-72.2106.5-175.7-176.19.6000112.2D59 W92 C93 L135D59-N90 PolarHBondContact OD1-N 3.2Å; N90-W92 PolarHBondContact O-N 3.39Å; N90-W92 PolarHBondContact OD1-N 2.78Å; N90-W92 VanDerWaalsContact OD1-N 3.13Å; N90-C93 HydrophobicContact CB-CB 4.4Å; N90-C93 WeakPolarHBondContact O-CB 3.16Å; N90-C93 PolarHBondContact O-N 2.94Å; N90-C93 PolarHBondContact O-SG 3.18Å; N90-L135 PolarHBondContact ND2-O 2.99Å
91L93.4Very high93.5Very high10 Ų1037.8 Ų37.85%0.05222%0.216CC..THydrogen-bonded Turntrans-51.9-35.9174.9-77.7179.4000113.7L69 V85 A89 C93 L117 A121 Q124L69-L91 HydrophobicContact CD2-CD2 4.18Å; V85-L91 HydrophobicContact CB-CD2 4.41Å; V85-L91 HydrophobicContact CG1-CD1 4.5Å; V85-L91 HydrophobicContact CG1-CD2 4.02Å; V85-L91 HydrophobicContact CG1-CG 4.37Å; V85-L91 HydrophobicContact CG2-CD2 3.47Å; V85-L91 VanDerWaalsContact CG2-CD2 3.47Å; V85-L91 HydrophobicContact CG2-CG 4.47Å; A89-L91 PolarHBondContact O-N 2.87Å; A89-L91 VanDerWaalsContact O-N 3.1Å; L91-C93 VanDerWaalsContact C-N 3.32Å; L91-L117 HydrophobicContact CD2-CD2 3.6Å; L91-A121 HydrophobicContact CD1-CB 4.44Å; L91-Q124 VanDerWaalsContact CD1-CD 3.48Å; L91-Q124 HydrophobicContact CD1-CG 4.27Å
92W93.8Very high93.5Very high20 Ų2040.2 Ų40.28%0.07623%0.229CC..THydrogen-bonded Turntrans-95.421.8-178.6-50.9-75.9000113N90 Q124 I125 V132 L135 K136 A139N90-W92 PolarHBondContact O-N 3.39Å; N90-W92 PolarHBondContact OD1-N 2.78Å; N90-W92 VanDerWaalsContact OD1-N 3.13Å; W92-Q124 HydrophobicContact CH2-CB 3.7Å; W92-Q124 HydrophobicContact CH2-CG 4.48Å; W92-Q124 HydrophobicContact CZ2-CB 4.16Å; W92-I125 HydrophobicContact CZ2-CG1 4.36Å; W92-V132 HydrophobicContact CD2-CG1 3.98Å; W92-V132 HydrophobicContact CE3-CG1 4.27Å; W92-V132 HydrophobicContact CH2-CB 3.91Å; W92-V132 HydrophobicContact CH2-CG1 3.74Å; W92-V132 HydrophobicContact CH2-CG2 3.31Å; W92-V132 HydrophobicContact CZ2-CB 4.04Å; W92-V132 HydrophobicContact CZ2-CG1 3.4Å; W92-V132 VanDerWaalsContact CZ2-CG1 3.4Å; W92-V132 HydrophobicContact CZ2-CG2 3.62Å; W92-V132 HydrophobicContact CZ3-CB 4.32Å; W92-V132 HydrophobicContact CZ3-CG1 4.17Å; W92-V132 HydrophobicContact CZ3-CG2 4.06Å; W92-L135 HydrophobicContact CE3-CB 3.64Å; W92-L135 HydrophobicContact CE3-CD1 4.17Å; W92-L135 HydrophobicContact CZ3-CB 3.95Å; W92-L135 HydrophobicContact CZ3-CD1 3.64Å; W92-L135 HydrophobicContact CZ3-CG 4.45Å; W92-K136 HydrophobicContact CB-CG 3.73Å; W92-K136 HydrophobicContact CD2-CG 4.21Å; W92-K136 HydrophobicContact CG-CD 4.42Å; W92-K136 HydrophobicContact CG-CG 3.66Å; W92-A139 WeakPolarHBondContact O-CB 3.38Å
93C93.6Very high93.5Very high8 Ų842.1 Ų42.15%0.05424%0.237CC..  trans-56.6150.9169.258.60000110.6T67 H70 N90 L91 P101T67-C93 HydrophobicContact CG2-CB 3.99Å; T67-C93 PolarHBondContact OG1-SG 3.5Å; H70-C93 PolarHBondContact CE1-O 2.94Å; H70-C93 PolarHBondContact CE1-SG 3.43Å; N90-C93 HydrophobicContact CB-CB 4.4Å; N90-C93 WeakPolarHBondContact O-CB 3.16Å; N90-C93 PolarHBondContact O-N 2.94Å; N90-C93 PolarHBondContact O-SG 3.18Å; L91-C93 VanDerWaalsContact C-N 3.32Å; C93-P101 WeakPolarHBondContact O-CD 3.23Å; C93-P101 VanDerWaalsContact SG-CG 3.51Å
94L94.7Very high93.4Very high23 Ų2342 Ų4212%0.1224%0.237CC..  trans-126.8140.8-178-60.8172.5000109.3Y98 H99 T100 A139 F140 A143 R146L94-Y98 HydrophobicContact CD1-CD1 4.1Å; L94-H99 WeakPolarHBondContact CA-O 3.38Å; L94-T100 HydrophobicContact CD2-CG2 3.54Å; L94-A139 HydrophobicContact CD1-CB 4.37Å; L94-A139 HydrophobicContact CG-CB 4.17Å; L94-F140 HydrophobicContact CD1-CB 4.49Å; L94-F140 HydrophobicContact CD1-CD2 4.35Å; L94-A143 HydrophobicContact CB-CB 4.11Å; L94-R146 PolarHBondContact O-NH1 2.92Å
95D92.6Very high93.5Very high8 Ų842 Ų424%0.04324%0.237CC..  trans-74.6-166.2168.6722.1000111.3H70 D97 Y98 H99 A143H70-D95 PolarHBondContact NE2-N 3.23Å; D95-D97 VanDerWaalsContact OD1-C 3.32Å; D95-D97 WeakPolarHBondContact OD1-CA 3.4Å; D95-D97 PolarHBondContact OD1-N 3.42Å; D95-Y98 PolarHBondContact OD1-N 3.28Å; D95-H99 PolarHBondContact N-O 3.37Å; D95-H99 PolarHBondContact OD1-N 3.06Å; D95-H99 IonicContact OD1-ND1 2.67Å; D95-H99 IonicContact OD2-CG 3.72Å; D95-H99 IonicContact OD2-ND1 2.7Å; D95-H99 PolarHBondContact OD2-ND1 3.25Å; D95-A143 WeakPolarHBondContact O-CB 3.42Å
96N90.1Very high93.5Very high40 Ų4044 Ų4421%0.21426%0.255CS..SBendtrans-77.5-18.5176.1-70.9-15.7000113.9I63 W64 I147I63-N96 PolarHBondContact O-ND2 3.24Å; W64-N96 VanDerWaalsContact C-CG 3.43Å; W64-N96 WeakPolarHBondContact CA-ND2 3.34Å; W64-N96 VanDerWaalsContact O-CB 3.23Å; W64-N96 WeakPolarHBondContact O-CB 3.39Å; W64-N96 PolarHBondContact O-N 2.7Å; W64-N96 PolarHBondContact O-ND2 3.42Å; N96-I147 HydrophobicContact CB-CG1 4.35Å; N96-I147 VanDerWaalsContact O-CD1 3.32Å; N96-I147 WeakPolarHBondContact O-CD1 3.44Å
97D89.7Confident93.6Very high123 Ų12343.9 Ų43.966%0.65825%0.249SC*.SBendtrans-97.92.7179.5-67.7-32000112.4D95 H99D95-D97 VanDerWaalsContact OD1-C 3.32Å; D95-D97 WeakPolarHBondContact OD1-CA 3.4Å; D95-D97 PolarHBondContact OD1-N 3.42Å; D97-H99 VanDerWaalsContact CB-CE1 3.46Å; D97-H99 WeakPolarHBondContact CB-CE1 3.31Å
98Y93.1Very high93.7Very high97 Ų9744.9 Ų44.938%0.3825%0.253SS..  trans68.424.6-177-55.4-91.3000115.4L94 D95 F140 A143 I147L94-Y98 HydrophobicContact CD1-CD1 4.1Å; D95-Y98 PolarHBondContact OD1-N 3.28Å; Y98-F140 HydrophobicContact CD1-CD2 4.12Å; Y98-F140 AromaticContact CD1-CE2 3.95Å; Y98-F140 HydrophobicContact CD1-CE2 3.95Å; Y98-F140 AromaticContact CE1-CD2 3.91Å; Y98-F140 HydrophobicContact CE1-CD2 3.91Å; Y98-F140 AromaticContact CE1-CE2 3.55Å; Y98-F140 HydrophobicContact CE1-CE2 3.55Å; Y98-F140 HydrophobicContact CE1-CZ 4.08Å; Y98-A143 HydrophobicContact CD1-CB 4.33Å; Y98-A143 HydrophobicContact CE1-CB 4.08Å; Y98-I147 HydrophobicContact CE1-CD1 4.32Å; Y98-I147 HydrophobicContact CE2-CD1 3.62Å; Y98-I147 WeakPolarHBondContact OH-CD1 3.38Å
99H94.3Very high93.9Very high80 Ų8044.4 Ų44.437%0.3725%0.248SC..  trans-75.8148.6165.3-52.6110.5000110.8H70 L94 D95 D97 D103 M104H70-H99 PolarHBondContact NE2-O 2.83Å; H70-H99 VanDerWaalsContact NE2-O 3.16Å; L94-H99 WeakPolarHBondContact CA-O 3.38Å; D95-H99 PolarHBondContact N-O 3.37Å; D95-H99 PolarHBondContact OD1-N 3.06Å; D95-H99 IonicContact OD1-ND1 2.67Å; D95-H99 IonicContact OD2-CG 3.72Å; D95-H99 IonicContact OD2-ND1 2.7Å; D95-H99 PolarHBondContact OD2-ND1 3.25Å; D97-H99 VanDerWaalsContact CB-CE1 3.46Å; D97-H99 WeakPolarHBondContact CB-CE1 3.31Å; H99-D103 HydrophobicContact CB-CB 4.16Å; H99-M104 HydrophobicContact CB-CG 4.34Å; H99-M104 HydrophobicContact CB-SD 4.41Å
100T95.4Very high94Very high28 Ų2847 Ų4717%0.17226%0.259CS..  trans-93.3167.3166.768.20000110.9L94 L102 D103 M104L94-T100 HydrophobicContact CD2-CG2 3.54Å; T100-L102 PolarHBondContact O-N 3.48Å; T100-L102 PolarHBondContact OG1-N 2.85Å; T100-D103 VanDerWaalsContact CB-OD2 3.31Å; T100-D103 WeakPolarHBondContact CB-OD2 3.34Å; T100-D103 PolarHBondContact N-OD2 3.1Å; T100-D103 PolarHBondContact O-N 2.87Å; T100-D103 VanDerWaalsContact O-N 3.13Å; T100-D103 VanDerWaalsContact OG1-CG 3.24Å; T100-D103 PolarHBondContact OG1-N 2.89Å; T100-D103 PolarHBondContact OG1-OD2 3.03Å; T100-M104 PolarHBondContact O-N 2.96Å
101P95.3Very high94.2Very high0 Ų051.6 Ų51.60%028%0.282CS..Hα-helixtrans-56.6-29.5170-26.635.6000113.7L69 A73 C93 M104 A105 L117L69-P101 HydrophobicContact CB-CG 4.08Å; L69-P101 HydrophobicContact CD2-CB 4.3Å; L69-P101 HydrophobicContact CD2-CG 3.85Å; L69-P101 HydrophobicContact CG-CB 4.08Å; L69-P101 HydrophobicContact CG-CG 3.93Å; A73-P101 HydrophobicContact CB-CB 4.03Å; A73-P101 VanDerWaalsContact CB-O 3.23Å; A73-P101 WeakPolarHBondContact CB-O 3.29Å; C93-P101 WeakPolarHBondContact O-CD 3.23Å; C93-P101 VanDerWaalsContact SG-CG 3.51Å; P101-M104 PolarHBondContact O-N 3.38Å; P101-A105 PolarHBondContact O-N 2.97Å; P101-L117 HydrophobicContact CB-CD1 4.16Å
102L96.4Very high94.3Very high51 Ų5156 Ų5627%0.26731%0.305SS..Hα-helixtrans-67.3-45.9176.2178.864.9000110.8T100 M104 A105 A106 V114 L117T100-L102 PolarHBondContact O-N 3.48Å; T100-L102 PolarHBondContact OG1-N 2.85Å; L102-M104 VanDerWaalsContact C-N 3.29Å; L102-M104 PolarHBondContact O-N 3.29Å; L102-A105 PolarHBondContact O-N 3.33Å; L102-A106 WeakPolarHBondContact O-CB 3.39Å; L102-A106 PolarHBondContact O-N 3.35Å; L102-V114 HydrophobicContact CD1-CB 4.29Å; L102-V114 HydrophobicContact CD1-CG1 3.91Å; L102-V114 HydrophobicContact CD1-CG2 4.49Å; L102-L117 HydrophobicContact CB-CB 4.47Å; L102-L117 HydrophobicContact CB-CD1 4.2Å; L102-L117 HydrophobicContact CD1-CB 3.79Å; L102-L117 HydrophobicContact CD1-CD1 4.41Å
103D95.3Very high94.4Very high74 Ų7455.1 Ų55.140%0.39630%0.302SS..Hα-helixtrans-63.3-38.6176.7-52.1-53.3000110.8H99 T100 A106 S107H99-D103 HydrophobicContact CB-CB 4.16Å; T100-D103 VanDerWaalsContact CB-OD2 3.31Å; T100-D103 WeakPolarHBondContact CB-OD2 3.34Å; T100-D103 PolarHBondContact N-OD2 3.1Å; T100-D103 PolarHBondContact O-N 2.87Å; T100-D103 VanDerWaalsContact O-N 3.13Å; T100-D103 VanDerWaalsContact OG1-CG 3.24Å; T100-D103 PolarHBondContact OG1-N 2.89Å; T100-D103 PolarHBondContact OG1-OD2 3.03Å; D103-A106 PolarHBondContact O-N 2.67Å; D103-S107 WeakPolarHBondContact O-CB 3.39Å; D103-S107 PolarHBondContact O-N 3.3Å; D103-S107 PolarHBondContact O-OG 3.26Å
104M94.6Very high94.6Very high34 Ų3456 Ų5617%0.16731%0.307CS..Hα-helixtrans-64.2-46.8175.2-70.7-62.4-82.600112.4A74 H99 T100 P101 L102 A106 S107 K108A74-M104 HydrophobicContact CB-CB 4.33Å; A74-M104 HydrophobicContact CB-CE 4.12Å; H99-M104 HydrophobicContact CB-CG 4.34Å; H99-M104 HydrophobicContact CB-SD 4.41Å; T100-M104 PolarHBondContact O-N 2.96Å; P101-M104 PolarHBondContact O-N 3.38Å; L102-M104 VanDerWaalsContact C-N 3.29Å; L102-M104 PolarHBondContact O-N 3.29Å; M104-A106 VanDerWaalsContact C-N 3.34Å; M104-A106 PolarHBondContact O-N 3.09Å; M104-S107 PolarHBondContact O-N 3.13Å; M104-S107 PolarHBondContact O-OG 2.9Å; M104-K108 WeakPolarHBondContact O-CG 3.23Å; M104-K108 PolarHBondContact O-N 3.15Å
105A96.1Very high94.6Very high0 Ų063.6 Ų63.60%033%0.334CS..Hα-helixtrans-60.1-42.9174.300000112.1A73 P101 L102 K108 G109 H110 C113 V114A73-A105 HydrophobicContact CB-CB 4.11Å; P101-A105 PolarHBondContact O-N 2.97Å; L102-A105 PolarHBondContact O-N 3.33Å; A105-K108 PolarHBondContact O-N 3.45Å; A105-G109 PolarHBondContact O-N 2.91Å; A105-G109 VanDerWaalsContact O-N 3.13Å; A105-H110 HydrophobicContact CB-CB 4.47Å; A105-H110 PolarHBondContact O-N 3.3Å; A105-C113 HydrophobicContact CB-CB 3.89Å; A105-V114 HydrophobicContact CB-CG2 3.73Å
106A95.9Very high94.8Very high55 Ų5566.5 Ų66.546%0.45535%0.345SS..Hα-helixtrans-65.1-44.7178.800000112.1L102 D103 M104 K108 G109 V114L102-A106 WeakPolarHBondContact O-CB 3.39Å; L102-A106 PolarHBondContact O-N 3.35Å; D103-A106 PolarHBondContact O-N 2.67Å; M104-A106 VanDerWaalsContact C-N 3.34Å; M104-A106 PolarHBondContact O-N 3.09Å; A106-K108 PolarHBondContact O-N 3.35Å; A106-K108 VanDerWaalsContact O-N 3.14Å; A106-G109 PolarHBondContact O-N 3.07Å; A106-G109 VanDerWaalsContact O-N 3.09Å; A106-V114 HydrophobicContact CB-CG2 4.03Å
107S95.1Very high95.1Very high85 Ų8564.9 Ų64.959%0.59434%0.336SS*.Hα-helixtrans-62.5-21178.175.20000113.9D103 M104D103-S107 WeakPolarHBondContact O-CB 3.39Å; D103-S107 PolarHBondContact O-N 3.3Å; D103-S107 PolarHBondContact O-OG 3.26Å; M104-S107 PolarHBondContact O-N 3.13Å; M104-S107 PolarHBondContact O-OG 2.9Å
108K93.6Very high95.4Very high125 Ų12563.1 Ų63.154%0.54333%0.327SS..THydrogen-bonded Turntrans-102.1-3.5178.9-63-68.7-176.9-178.50113.6A74 M104 A105 A106 H110A74-K108 HydrophobicContact CB-CG 4.43Å; A74-K108 WeakPolarHBondContact O-CG 3.26Å; M104-K108 WeakPolarHBondContact O-CG 3.23Å; M104-K108 PolarHBondContact O-N 3.15Å; A105-K108 PolarHBondContact O-N 3.45Å; A106-K108 PolarHBondContact O-N 3.35Å; A106-K108 VanDerWaalsContact O-N 3.14Å; K108-H110 VanDerWaalsContact CB-CD2 3.47Å; K108-H110 WeakPolarHBondContact CB-CD2 3.35Å
109G94.2Very high95.5Very high50 Ų5060.9 Ų60.952%0.51533%0.325SS..THydrogen-bonded Turntrans7616.4179.700000115A105 A106 M111A105-G109 PolarHBondContact O-N 2.91Å; A105-G109 VanDerWaalsContact O-N 3.13Å; A106-G109 PolarHBondContact O-N 3.07Å; A106-G109 VanDerWaalsContact O-N 3.09Å; G109-M111 VanDerWaalsContact C-N 3.31Å; G109-M111 PolarHBondContact O-N 3.49Å
110H96.3Very high95.5Very high60 Ų6058 Ų5828%0.27831%0.314SS..  trans-82.772.9-178.1-65.1-49.5000111.8A73 A74 G76 A105 K108 D112 C113 V114A73-H110 PolarHBondContact O-CD2 3.35Å; A74-H110 PolarHBondContact O-CD2 2.82Å; A74-H110 PolarHBondContact O-NE2 3.01Å; G76-H110 VanDerWaalsContact CA-CG 3.47Å; G76-H110 PolarHBondContact N-CD2 3.2Å; G76-H110 PolarHBondContact N-NE2 3.41Å; A105-H110 HydrophobicContact CB-CB 4.47Å; A105-H110 PolarHBondContact O-N 3.3Å; K108-H110 VanDerWaalsContact CB-CD2 3.47Å; K108-H110 WeakPolarHBondContact CB-CD2 3.35Å; H110-D112 VanDerWaalsContact C-N 3.29Å; H110-D112 PolarHBondContact O-N 2.91Å; H110-C113 HydrophobicContact CB-CB 4.24Å; H110-C113 WeakPolarHBondContact O-CB 3.42Å; H110-C113 PolarHBondContact O-N 2.86Å; H110-C113 VanDerWaalsContact O-N 3.1Å; H110-V114 PolarHBondContact O-N 2.86Å
111M94.9Very high95.5Very high113 Ų11357.4 Ų57.456%0.55731%0.311SS*.Hα-helixtrans-59.3-32-170-64.2-53.8-65.200114.5G109 V114 R115G109-M111 VanDerWaalsContact C-N 3.31Å; G109-M111 PolarHBondContact O-N 3.49Å; M111-V114 WeakPolarHBondContact O-CB 3.46Å; M111-V114 PolarHBondContact O-N 2.85Å; M111-R115 WeakPolarHBondContact O-CG 3.38Å; M111-R115 PolarHBondContact O-N 3.3Å
112D95.5Very high95.4Very high102 Ų10260 Ų6055%0.54533%0.329SS..Hα-helixtrans-68.3-40.1177.2-55.3-48.2000112.2L78 H110 V114 R115 Y116L78-D112 HydrophobicContact CD2-CB 4.27Å; H110-D112 VanDerWaalsContact C-N 3.29Å; H110-D112 PolarHBondContact O-N 2.91Å; D112-V114 VanDerWaalsContact C-N 3.34Å; D112-R115 PolarHBondContact O-N 3.46Å; D112-Y116 WeakPolarHBondContact O-CB 3.22Å; D112-Y116 PolarHBondContact O-N 2.76Å
113C96.1Very high95.3Very high2 Ų263.5 Ų63.51%0.01434%0.342CS..Hα-helixtrans-64-39.7171.4-70.50000111.2G76 L81 A105 H110 L117G76-C113 VanDerWaalsContact C-SG 3.58Å; L81-C113 HydrophobicContact CD1-CB 4Å; A105-C113 HydrophobicContact CB-CB 3.89Å; H110-C113 HydrophobicContact CB-CB 4.24Å; H110-C113 WeakPolarHBondContact O-CB 3.42Å; H110-C113 PolarHBondContact O-N 2.86Å; H110-C113 VanDerWaalsContact O-N 3.1Å; C113-L117 VanDerWaalsContact O-CB 3.25Å; C113-L117 WeakPolarHBondContact O-CB 3.21Å; C113-L117 VanDerWaalsContact O-CG 3.27Å; C113-L117 WeakPolarHBondContact O-CG 3.44Å; C113-L117 PolarHBondContact O-N 3.13Å
114V96.8Very high95.1Very high26 Ų2662.9 Ų62.916%0.15834%0.337CS..Hα-helixtrans-61.2-52.7175173.80000111L102 A105 A106 H110 M111 D112 Y116 L117 D118L102-V114 HydrophobicContact CD1-CB 4.29Å; L102-V114 HydrophobicContact CD1-CG1 3.91Å; L102-V114 HydrophobicContact CD1-CG2 4.49Å; A105-V114 HydrophobicContact CB-CG2 3.73Å; A106-V114 HydrophobicContact CB-CG2 4.03Å; H110-V114 PolarHBondContact O-N 2.86Å; M111-V114 WeakPolarHBondContact O-CB 3.46Å; M111-V114 PolarHBondContact O-N 2.85Å; D112-V114 VanDerWaalsContact C-N 3.34Å; V114-Y116 VanDerWaalsContact C-N 3.32Å; V114-Y116 PolarHBondContact O-N 3.46Å; V114-L117 PolarHBondContact O-N 3.36Å; V114-D118 WeakPolarHBondContact O-CB 3.29Å; V114-D118 PolarHBondContact O-N 2.89Å
115R96.4Very high95.1Very high183 Ų18364.8 Ų64.869%0.69135%0.347SS*.Hα-helixtrans-58.6-42.4179-70.9172.675.8-165.96.3111.9M111 D112 S119M111-R115 WeakPolarHBondContact O-CG 3.38Å; M111-R115 PolarHBondContact O-N 3.3Å; D112-R115 PolarHBondContact O-N 3.46Å; R115-S119 VanDerWaalsContact O-CB 3.26Å; R115-S119 WeakPolarHBondContact O-CB 3.39Å; R115-S119 PolarHBondContact O-N 3.3Å
116Y96.7Very high95Very high69 Ų6970.5 Ų70.527%0.27138%0.382SS..Hα-helixtrans-66.5-47.7177179.9-86.6000112.4L78 L81 S82 V85 D112 V114 S119 T120L78-Y116 HydrophobicContact CD1-CD1 4.26Å; L78-Y116 HydrophobicContact CD1-CD2 4.04Å; L78-Y116 HydrophobicContact CD1-CG 3.68Å; L81-Y116 HydrophobicContact CD2-CD1 3.33Å; L81-Y116 HydrophobicContact CD2-CE1 3.55Å; L81-Y116 HydrophobicContact CD2-CG 4.42Å; S82-Y116 WeakPolarHBondContact CA-OH 3.23Å; S82-Y116 VanDerWaalsContact CB-CZ 3.42Å; S82-Y116 WeakPolarHBondContact CB-OH 3.37Å; V85-Y116 HydrophobicContact CB-CE1 4.3Å; V85-Y116 HydrophobicContact CG2-CE1 4.14Å; D112-Y116 WeakPolarHBondContact O-CB 3.22Å; D112-Y116 PolarHBondContact O-N 2.76Å; V114-Y116 VanDerWaalsContact C-N 3.32Å; V114-Y116 PolarHBondContact O-N 3.46Å; Y116-S119 PolarHBondContact O-N 3.23Å; Y116-T120 HydrophobicContact CD1-CG2 4.25Å; Y116-T120 HydrophobicContact CE1-CG2 3.77Å; Y116-T120 HydrophobicContact CE2-CG2 4.13Å; Y116-T120 WeakPolarHBondContact O-CB 3.23Å; Y116-T120 WeakPolarHBondContact O-CG2 3.13Å; Y116-T120 PolarHBondContact O-N 3.3Å; Y116-T120 PolarHBondContact O-OG1 3.37Å
117L95.6Very high94.9Very high5 Ų573.9 Ų73.93%0.02639%0.392CS..Hα-helixtrans-63.5-41.6179.3-78.4174.9000111.8A73 L81 L91 P101 L102 C113 V114 T120 A121A73-L117 HydrophobicContact CB-CD1 4.33Å; L81-L117 HydrophobicContact CD1-CD1 4.04Å; L81-L117 HydrophobicContact CD1-CD2 4.34Å; L81-L117 HydrophobicContact CD1-CG 4.11Å; L81-L117 HydrophobicContact CD2-CD2 3.8Å; L81-L117 HydrophobicContact CD2-CG 4.01Å; L81-L117 HydrophobicContact CG-CD2 4.37Å; L91-L117 HydrophobicContact CD2-CD2 3.6Å; P101-L117 HydrophobicContact CB-CD1 4.16Å; L102-L117 HydrophobicContact CB-CB 4.47Å; L102-L117 HydrophobicContact CB-CD1 4.2Å; L102-L117 HydrophobicContact CD1-CB 3.79Å; L102-L117 HydrophobicContact CD1-CD1 4.41Å; C113-L117 VanDerWaalsContact O-CB 3.25Å; C113-L117 WeakPolarHBondContact O-CB 3.21Å; C113-L117 VanDerWaalsContact O-CG 3.27Å; C113-L117 WeakPolarHBondContact O-CG 3.44Å; C113-L117 PolarHBondContact O-N 3.13Å; V114-L117 PolarHBondContact O-N 3.36Å; L117-T120 WeakPolarHBondContact CA-OG1 3.28Å; L117-T120 PolarHBondContact O-N 3.4Å; L117-T120 PolarHBondContact O-OG1 3.48Å; L117-T120 VanDerWaalsContact O-OG1 3.13Å; L117-A121 WeakPolarHBondContact O-CB 3.32Å; L117-A121 PolarHBondContact O-N 2.99Å
118D95.6Very high94.8Very high87 Ų8774.4 Ų74.447%0.46539%0.388SS..Hα-helixtrans-68.4-44.3178.2-175.149.5000112.1V114 T120 A121 S122V114-D118 WeakPolarHBondContact O-CB 3.29Å; V114-D118 PolarHBondContact O-N 2.89Å; D118-T120 VanDerWaalsContact C-N 3.34Å; D118-T120 PolarHBondContact O-N 3.12Å; D118-A121 PolarHBondContact O-N 2.92Å; D118-S122 VanDerWaalsContact O-CB 3.23Å; D118-S122 WeakPolarHBondContact O-CB 3.33Å; D118-S122 PolarHBondContact O-N 3.21Å; D118-S122 PolarHBondContact O-OG 3.46Å; D118-S122 VanDerWaalsContact O-OG 3.04Å
119S95.8Very high94.8Very high50 Ų5072.2 Ų72.235%0.3539%0.387SS..Hα-helixtrans-58.6-44.5174-171.30000111.9R115 Y116 K123R115-S119 VanDerWaalsContact O-CB 3.26Å; R115-S119 WeakPolarHBondContact O-CB 3.39Å; R115-S119 PolarHBondContact O-N 3.3Å; Y116-S119 PolarHBondContact O-N 3.23Å; S119-K123 WeakPolarHBondContact O-CB 3.32Å; S119-K123 WeakPolarHBondContact O-CD 3.45Å; S119-K123 WeakPolarHBondContact O-CG 3.49Å; S119-K123 PolarHBondContact O-N 3.19Å; S119-K123 PolarHBondContact OG-NZ 3.13Å
120T94.8Very high94.7Very high20 Ų2078.2 Ų78.212%0.12340%0.399CS..Hα-helixtrans-73.8-39.1-180520000112.8Y116 L117 D118 K123 Q124Y116-T120 HydrophobicContact CD1-CG2 4.25Å; Y116-T120 HydrophobicContact CE1-CG2 3.77Å; Y116-T120 HydrophobicContact CE2-CG2 4.13Å; Y116-T120 WeakPolarHBondContact O-CB 3.23Å; Y116-T120 WeakPolarHBondContact O-CG2 3.13Å; Y116-T120 PolarHBondContact O-N 3.3Å; Y116-T120 PolarHBondContact O-OG1 3.37Å; L117-T120 WeakPolarHBondContact CA-OG1 3.28Å; L117-T120 PolarHBondContact O-N 3.4Å; L117-T120 PolarHBondContact O-OG1 3.48Å; L117-T120 VanDerWaalsContact O-OG1 3.13Å; D118-T120 VanDerWaalsContact C-N 3.34Å; D118-T120 PolarHBondContact O-N 3.12Å; T120-K123 PolarHBondContact O-N 3.05Å; T120-Q124 WeakPolarHBondContact O-CG 3.4Å; T120-Q124 PolarHBondContact O-N 3.36Å
121A93.9Very high94.5Very high15 Ų1579.7 Ų79.712%0.12441%0.408CS..Hα-helixtrans-62.4-46.4174.400000111.4L91 L117 D118 K123 Q124 I125L91-A121 HydrophobicContact CD1-CB 4.44Å; L117-A121 WeakPolarHBondContact O-CB 3.32Å; L117-A121 PolarHBondContact O-N 2.99Å; D118-A121 PolarHBondContact O-N 2.92Å; A121-K123 PolarHBondContact O-N 3.47Å; A121-Q124 PolarHBondContact O-N 3.34Å; A121-I125 WeakPolarHBondContact O-CD1 3.19Å; A121-I125 VanDerWaalsContact O-CG1 3.26Å; A121-I125 WeakPolarHBondContact O-CG1 3.23Å; A121-I125 PolarHBondContact O-N 2.95Å
122S94Very high94.5Very high54 Ų5474.7 Ų74.738%0.37838%0.384SS..Hα-helixtrans-58.9-46.4175.2-700000111.7D118 Q124 I125 T126D118-S122 VanDerWaalsContact O-CB 3.23Å; D118-S122 WeakPolarHBondContact O-CB 3.33Å; D118-S122 PolarHBondContact O-N 3.21Å; D118-S122 PolarHBondContact O-OG 3.46Å; D118-S122 VanDerWaalsContact O-OG 3.04Å; S122-Q124 PolarHBondContact O-N 3.07Å; S122-I125 PolarHBondContact O-N 3.21Å; S122-T126 PolarHBondContact O-N 3.46Å; S122-T126 PolarHBondContact O-OG1 2.93Å
123K93.9Very high94.4Very high124 Ų12473 Ų7354%0.53938%0.38SS..Hα-helixtrans-57-47.3173.4-75.4162.4-178.6158.40112S119 T120 A121 I125 T126 L127S119-K123 WeakPolarHBondContact O-CB 3.32Å; S119-K123 WeakPolarHBondContact O-CD 3.45Å; S119-K123 WeakPolarHBondContact O-CG 3.49Å; S119-K123 PolarHBondContact O-N 3.19Å; S119-K123 PolarHBondContact OG-NZ 3.13Å; T120-K123 PolarHBondContact O-N 3.05Å; A121-K123 PolarHBondContact O-N 3.47Å; K123-I125 PolarHBondContact O-N 3.46Å; K123-T126 PolarHBondContact O-N 2.76Å; K123-L127 WeakPolarHBondContact O-CB 3.34Å; K123-L127 WeakPolarHBondContact O-CG 3.28Å; K123-L127 PolarHBondContact O-N 3.44Å
124Q92.4Very high94.3Very high62 Ų6279.8 Ų79.829%0.2941%0.409SS..Hα-helixtrans-68-33.9179.7-67.3-170.316.100113.3L91 W92 T120 A121 S122 N128 V132L91-Q124 VanDerWaalsContact CD1-CD 3.48Å; L91-Q124 HydrophobicContact CD1-CG 4.27Å; W92-Q124 HydrophobicContact CH2-CB 3.7Å; W92-Q124 HydrophobicContact CH2-CG 4.48Å; W92-Q124 HydrophobicContact CZ2-CB 4.16Å; T120-Q124 WeakPolarHBondContact O-CG 3.4Å; T120-Q124 PolarHBondContact O-N 3.36Å; A121-Q124 PolarHBondContact O-N 3.34Å; S122-Q124 PolarHBondContact O-N 3.07Å; Q124-N128 PolarHBondContact O-N 3.26Å; Q124-V132 HydrophobicContact CB-CG2 4.43Å; Q124-V132 WeakPolarHBondContact O-CG2 3.42Å
125I93.4Very high94.1Very high73 Ų7379.9 Ų79.937%0.37441%0.409SS..Hα-helixtrans-62.9-49.2173.6-71.2162.2000110.6W92 A121 S122 K123 P129 V132W92-I125 HydrophobicContact CZ2-CG1 4.36Å; A121-I125 WeakPolarHBondContact O-CD1 3.19Å; A121-I125 VanDerWaalsContact O-CG1 3.26Å; A121-I125 WeakPolarHBondContact O-CG1 3.23Å; A121-I125 PolarHBondContact O-N 2.95Å; S122-I125 PolarHBondContact O-N 3.21Å; K123-I125 PolarHBondContact O-N 3.46Å; I125-P129 VanDerWaalsContact O-CD 3.24Å; I125-P129 WeakPolarHBondContact O-CD 3.33Å; I125-V132 HydrophobicContact CG1-CG1 4.01Å; I125-V132 HydrophobicContact CG1-CG2 4.09Å
126T94.6Very high93.9Very high120 Ų12076.2 Ų76.274%0.73640%0.398SS*.Hα-helixtrans-64.1-40.7178.8-59.20000111.9S122 K123S122-T126 PolarHBondContact O-N 3.46Å; S122-T126 PolarHBondContact O-OG1 2.93Å; K123-T126 PolarHBondContact O-N 2.76Å
127L93.3Very high93.8Very high127 Ų12776 Ų7667%0.66540%0.402SS*.Hα-helixtrans-67.3-46.7179.2-72.7168.8000112.8K123K123-L127 WeakPolarHBondContact O-CB 3.34Å; K123-L127 WeakPolarHBondContact O-CG 3.28Å; K123-L127 PolarHBondContact O-N 3.44Å
128N92.7Very high93.6Very high95 Ų9583.1 Ų83.151%0.50843%0.428SS..  trans-151.875.5-172.2-82.9-73.7000113.5Q124 K130 L131 V132Q124-N128 PolarHBondContact O-N 3.26Å; N128-K130 VanDerWaalsContact C-N 3.26Å; N128-K130 PolarHBondContact O-N 3.42Å; N128-K130 VanDerWaalsContact O-N 3.15Å; N128-L131 HydrophobicContact CB-CB 3.79Å; N128-L131 HydrophobicContact CB-CD2 4.45Å; N128-L131 WeakPolarHBondContact O-CB 3.37Å; N128-L131 PolarHBondContact O-N 2.81Å; N128-V132 WeakPolarHBondContact O-CG2 3.47Å; N128-V132 PolarHBondContact O-N 2.95Å
129P93.1Very high93.4Very high80 Ų8079.1 Ų79.152%0.51941%0.407SS..Hα-helixtrans-62.7-30.6-174.724.2-33.2000113.3I125 V132 S133I125-P129 VanDerWaalsContact O-CD 3.24Å; I125-P129 WeakPolarHBondContact O-CD 3.33Å; P129-V132 PolarHBondContact O-N 3.39Å; P129-S133 PolarHBondContact O-N 3.48Å
130K93.5Very high93.3Very high176 Ų17681.7 Ų81.777%0.76541%0.413SS*.Hα-helixtrans-68.6-30.8174.3-66.2-179.9-177.5173.20113N128 K134N128-K130 VanDerWaalsContact C-N 3.26Å; N128-K130 PolarHBondContact O-N 3.42Å; N128-K130 VanDerWaalsContact O-N 3.15Å; K130-K134 WeakPolarHBondContact O-CG 3.2Å; K130-K134 PolarHBondContact O-N 3.05Å
131L92.4Very high93.1Very high90 Ų9087.2 Ų87.247%0.47143%0.431SS..Hα-helixtrans-75.5-43.5174.9-178.759.5000110.1N128 S133 K134 L135N128-L131 HydrophobicContact CB-CB 3.79Å; N128-L131 HydrophobicContact CB-CD2 4.45Å; N128-L131 WeakPolarHBondContact O-CB 3.37Å; N128-L131 PolarHBondContact O-N 2.81Å; L131-S133 VanDerWaalsContact C-N 3.34Å; L131-S133 PolarHBondContact O-N 3.13Å; L131-K134 WeakPolarHBondContact O-CB 3.45Å; L131-K134 PolarHBondContact O-N 3.48Å; L131-K134 VanDerWaalsContact O-N 3.11Å; L131-L135 HydrophobicContact CD1-CD1 4.21Å; L131-L135 HydrophobicContact CD1-CG 4.35Å; L131-L135 HydrophobicContact CG-CD1 3.9Å; L131-L135 HydrophobicContact CG-CG 4.46Å; L131-L135 WeakPolarHBondContact O-CG 3.46Å; L131-L135 PolarHBondContact O-N 3.49Å
132V93.3Very high92.9Very high8 Ų887.4 Ų87.45%0.04843%0.433CS..Hα-helixtrans-54.9-49173.9176.60000111.4W92 Q124 I125 N128 P129 K134 L135 K136W92-V132 HydrophobicContact CD2-CG1 3.98Å; W92-V132 HydrophobicContact CE3-CG1 4.27Å; W92-V132 HydrophobicContact CH2-CB 3.91Å; W92-V132 HydrophobicContact CH2-CG1 3.74Å; W92-V132 HydrophobicContact CH2-CG2 3.31Å; W92-V132 HydrophobicContact CZ2-CB 4.04Å; W92-V132 HydrophobicContact CZ2-CG1 3.4Å; W92-V132 VanDerWaalsContact CZ2-CG1 3.4Å; W92-V132 HydrophobicContact CZ2-CG2 3.62Å; W92-V132 HydrophobicContact CZ3-CB 4.32Å; W92-V132 HydrophobicContact CZ3-CG1 4.17Å; W92-V132 HydrophobicContact CZ3-CG2 4.06Å; Q124-V132 HydrophobicContact CB-CG2 4.43Å; Q124-V132 WeakPolarHBondContact O-CG2 3.42Å; I125-V132 HydrophobicContact CG1-CG1 4.01Å; I125-V132 HydrophobicContact CG1-CG2 4.09Å; N128-V132 WeakPolarHBondContact O-CG2 3.47Å; N128-V132 PolarHBondContact O-N 2.95Å; P129-V132 PolarHBondContact O-N 3.39Å; V132-K134 VanDerWaalsContact C-N 3.32Å; V132-K134 PolarHBondContact O-N 2.96Å; V132-L135 PolarHBondContact O-N 3.32Å; V132-K136 HydrophobicContact CG1-CD 4.17Å; V132-K136 HydrophobicContact CG1-CG 4.36Å; V132-K136 WeakPolarHBondContact O-CG 3.16Å; V132-K136 PolarHBondContact O-N 3.4Å
133S93.4Very high92.7Very high67 Ų6784.9 Ų84.947%0.46942%0.415SS..Hα-helixtrans-55.1-45.9175.5167.80000111.9P129 L131 L135 K136 D137P129-S133 PolarHBondContact O-N 3.48Å; L131-S133 VanDerWaalsContact C-N 3.34Å; L131-S133 PolarHBondContact O-N 3.13Å; S133-L135 VanDerWaalsContact C-N 3.32Å; S133-L135 PolarHBondContact O-N 2.83Å; S133-K136 PolarHBondContact O-N 3.04Å; S133-D137 VanDerWaalsContact O-CB 3.3Å; S133-D137 WeakPolarHBondContact O-CB 3.46Å; S133-D137 PolarHBondContact O-N 3.15Å
134K94.3Very high92.6Very high144 Ų14482.8 Ų82.863%0.62641%0.407SS*.Hα-helixtrans-64.2-31.6176.1-72.4174.7-179.7-179.30113.8K130 L131 V132 D137 R138K130-K134 WeakPolarHBondContact O-CG 3.2Å; K130-K134 PolarHBondContact O-N 3.05Å; L131-K134 WeakPolarHBondContact O-CB 3.45Å; L131-K134 PolarHBondContact O-N 3.48Å; L131-K134 VanDerWaalsContact O-N 3.11Å; V132-K134 VanDerWaalsContact C-N 3.32Å; V132-K134 PolarHBondContact O-N 2.96Å; K134-D137 WeakPolarHBondContact O-CB 3.22Å; K134-R138 WeakPolarHBondContact O-CB 3.42Å; K134-R138 PolarHBondContact O-N 3.41Å
135L92.7Very high92.4Very high29 Ų2987.2 Ų87.215%0.15242%0.421CS..Hα-helixtrans-79-37.2179.6-72.3169.9000112N90 W92 L131 V132 S133 R138 A139N90-L135 PolarHBondContact ND2-O 2.99Å; W92-L135 HydrophobicContact CE3-CB 3.64Å; W92-L135 HydrophobicContact CE3-CD1 4.17Å; W92-L135 HydrophobicContact CZ3-CB 3.95Å; W92-L135 HydrophobicContact CZ3-CD1 3.64Å; W92-L135 HydrophobicContact CZ3-CG 4.45Å; L131-L135 HydrophobicContact CD1-CD1 4.21Å; L131-L135 HydrophobicContact CD1-CG 4.35Å; L131-L135 HydrophobicContact CG-CD1 3.9Å; L131-L135 HydrophobicContact CG-CG 4.46Å; L131-L135 WeakPolarHBondContact O-CG 3.46Å; L131-L135 PolarHBondContact O-N 3.49Å; V132-L135 PolarHBondContact O-N 3.32Å; S133-L135 VanDerWaalsContact C-N 3.32Å; S133-L135 PolarHBondContact O-N 2.83Å; L135-R138 PolarHBondContact O-N 3.48Å; L135-A139 WeakPolarHBondContact O-CB 3.39Å; L135-A139 PolarHBondContact O-N 2.97Å
136K93.5Very high92Very high105 Ų10586.4 Ų86.446%0.45741%0.414SS..Hα-helixtrans-60-49.2166.5-70.7-177.2175-168.70111.2W92 V132 S133 R138 A139 F140W92-K136 HydrophobicContact CB-CG 3.73Å; W92-K136 HydrophobicContact CD2-CG 4.21Å; W92-K136 HydrophobicContact CG-CD 4.42Å; W92-K136 HydrophobicContact CG-CG 3.66Å; V132-K136 HydrophobicContact CG1-CD 4.17Å; V132-K136 HydrophobicContact CG1-CG 4.36Å; V132-K136 WeakPolarHBondContact O-CG 3.16Å; V132-K136 PolarHBondContact O-N 3.4Å; S133-K136 PolarHBondContact O-N 3.04Å; K136-R138 VanDerWaalsContact C-N 3.3Å; K136-R138 PolarHBondContact O-N 2.88Å; K136-A139 PolarHBondContact O-N 3.14Å; K136-F140 PolarHBondContact O-N 3.46Å
137D93.7Very high91.6Very high66 Ų6682.4 Ų82.435%0.35339%0.387SS..Hα-helixtrans-53.3-43.8172.5-108.136.1000113.1S133 K134 R141S133-D137 VanDerWaalsContact O-CB 3.3Å; S133-D137 WeakPolarHBondContact O-CB 3.46Å; S133-D137 PolarHBondContact O-N 3.15Å; K134-D137 WeakPolarHBondContact O-CB 3.22Å; D137-R141 WeakPolarHBondContact O-CB 3.26Å; D137-R141 VanDerWaalsContact O-CG 3.28Å; D137-R141 WeakPolarHBondContact O-CG 3.48Å; D137-R141 PolarHBondContact O-N 2.83Å; D137-R141 VanDerWaalsContact O-N 3.08Å; D137-R141 IonicContact OD2-CZ 2.77Å; D137-R141 IonicContact OD2-NH1 3.81Å; D137-R141 PolarHBondContact OD2-NH1 3.39Å; D137-R141 IonicContact OD2-NH2 3.71Å; D137-R141 PolarHBondContact OD2-NH2 2.94Å
138R91.8Very high91.4Very high153 Ų15381 Ų8158%0.57738%0.376SS*.Hα-helixtrans-67.6-42.2178.9-179.6-175-67.8179-1.2111.2K134 L135 K136 A142K134-R138 WeakPolarHBondContact O-CB 3.42Å; K134-R138 PolarHBondContact O-N 3.41Å; L135-R138 PolarHBondContact O-N 3.48Å; K136-R138 VanDerWaalsContact C-N 3.3Å; K136-R138 PolarHBondContact O-N 2.88Å; R138-A142 WeakPolarHBondContact O-CB 3.19Å; R138-A142 PolarHBondContact O-N 3.28Å
139A91.5Very high90.9Very high4 Ų480.9 Ų80.93%0.03338%0.375CS..Hα-helixtrans-64.5-47.5177.500000111.8W92 L94 L135 K136 R141 A142 A143W92-A139 WeakPolarHBondContact O-CB 3.38Å; L94-A139 HydrophobicContact CD1-CB 4.37Å; L94-A139 HydrophobicContact CG-CB 4.17Å; L135-A139 WeakPolarHBondContact O-CB 3.39Å; L135-A139 PolarHBondContact O-N 2.97Å; K136-A139 PolarHBondContact O-N 3.14Å; A139-R141 PolarHBondContact O-N 2.87Å; A139-A142 CarbonylContact O-C 3.6Å; A139-A142 WeakPolarHBondContact O-CA 3.39Å; A139-A142 WeakPolarHBondContact O-CB 3.36Å; A139-A142 PolarHBondContact O-N 3.4Å; A139-A143 PolarHBondContact O-N 3.42Å
140F92.9Very high90.3Very high104 Ų10479.9 Ų79.946%0.45637%0.369SS..Hα-helixtrans-58-49.5176.7-166.7-89.4000111.5L94 Y98 K136 A142 A143 E144L94-F140 HydrophobicContact CD1-CB 4.49Å; L94-F140 HydrophobicContact CD1-CD2 4.35Å; Y98-F140 HydrophobicContact CD1-CD2 4.12Å; Y98-F140 AromaticContact CD1-CE2 3.95Å; Y98-F140 HydrophobicContact CD1-CE2 3.95Å; Y98-F140 AromaticContact CE1-CD2 3.91Å; Y98-F140 HydrophobicContact CE1-CD2 3.91Å; Y98-F140 AromaticContact CE1-CE2 3.55Å; Y98-F140 HydrophobicContact CE1-CE2 3.55Å; Y98-F140 HydrophobicContact CE1-CZ 4.08Å; K136-F140 PolarHBondContact O-N 3.46Å; F140-A142 PolarHBondContact O-N 3.33Å; F140-A143 PolarHBondContact O-N 3.44Å; F140-E144 WeakPolarHBondContact O-CB 3.49Å; F140-E144 PolarHBondContact O-N 2.77Å
141R91.6Very high89.8Confident135 Ų13576.6 Ų76.651%0.50936%0.357SS..Hα-helixtrans-65.3-16.9174-67.9177.4-168.411410.5113.7D137 A139 R145D137-R141 WeakPolarHBondContact O-CB 3.26Å; D137-R141 VanDerWaalsContact O-CG 3.28Å; D137-R141 WeakPolarHBondContact O-CG 3.48Å; D137-R141 PolarHBondContact O-N 2.83Å; D137-R141 VanDerWaalsContact O-N 3.08Å; D137-R141 IonicContact OD2-CZ 2.77Å; D137-R141 IonicContact OD2-NH1 3.81Å; D137-R141 PolarHBondContact OD2-NH1 3.39Å; D137-R141 IonicContact OD2-NH2 3.71Å; D137-R141 PolarHBondContact OD2-NH2 2.94Å; A139-R141 PolarHBondContact O-N 2.87Å; R141-R145 WeakPolarHBondContact O-CG 3.31Å; R141-R145 PolarHBondContact O-NE 2.75Å
142A89.3Confident89.4Confident20 Ų2076.8 Ų76.817%0.16535%0.354CS..Hα-helixtrans-82.8-48.9173.500000110.9R138 A139 F140 R145 R146R138-A142 WeakPolarHBondContact O-CB 3.19Å; R138-A142 PolarHBondContact O-N 3.28Å; A139-A142 CarbonylContact O-C 3.6Å; A139-A142 WeakPolarHBondContact O-CA 3.39Å; A139-A142 WeakPolarHBondContact O-CB 3.36Å; A139-A142 PolarHBondContact O-N 3.4Å; F140-A142 PolarHBondContact O-N 3.33Å; A142-R145 PolarHBondContact O-N 3.4Å; A142-R146 WeakPolarHBondContact O-CG 3.36Å; A142-R146 PolarHBondContact O-N 3.25Å
143A89.4Confident88.7Confident0 Ų081.8 Ų81.80%038%0.38CS..Hα-helixtrans-57.9-51173.500000111.6L94 D95 Y98 A139 F140 R145 R146 I147L94-A143 HydrophobicContact CB-CB 4.11Å; D95-A143 WeakPolarHBondContact O-CB 3.42Å; Y98-A143 HydrophobicContact CD1-CB 4.33Å; Y98-A143 HydrophobicContact CE1-CB 4.08Å; A139-A143 PolarHBondContact O-N 3.42Å; F140-A143 PolarHBondContact O-N 3.44Å; A143-R145 VanDerWaalsContact C-N 3.25Å; A143-R145 PolarHBondContact O-N 3Å; A143-R146 WeakPolarHBondContact O-CB 3.47Å; A143-R146 PolarHBondContact O-N 2.99Å; A143-I147 WeakPolarHBondContact O-CG1 3.3Å; A143-I147 PolarHBondContact O-N 2.71Å
144E91.1Very high87.8Confident81 Ų8184.1 Ų84.138%0.37938%0.383SS..Hα-helixtrans-55-40.5178.2-168-157.7163.800111.9F140 K148F140-E144 WeakPolarHBondContact O-CB 3.49Å; F140-E144 PolarHBondContact O-N 2.77Å; E144-K148 WeakPolarHBondContact O-CB 3.48Å; E144-K148 PolarHBondContact O-N 3.3Å
145R89.2Confident87.3Confident155 Ų15583.1 Ų83.159%0.58538%0.382SS*.Hα-helixtrans-64.5-42.6176.4-82.6-178.2-68.8145.21.9112.4R141 A142 A143 D149R141-R145 WeakPolarHBondContact O-CG 3.31Å; R141-R145 PolarHBondContact O-NE 2.75Å; A142-R145 PolarHBondContact O-N 3.4Å; A143-R145 VanDerWaalsContact C-N 3.25Å; A143-R145 PolarHBondContact O-N 3Å; R145-D149 WeakPolarHBondContact O-CB 3.15Å; R145-D149 VanDerWaalsContact O-CG 3.32Å; R145-D149 PolarHBondContact O-N 2.98Å
146R84.3Confident86.8Confident56 Ų5689 Ų8921%0.21140%0.402CS..Hα-helixtrans-64-51.4178-63.8172-163.8134.2-13.9111.1C61 L94 A142 A143 K148 D149 C150C61-R146 PolarHBondContact SG-NE 3.13Å; L94-R146 PolarHBondContact O-NH1 2.92Å; A142-R146 WeakPolarHBondContact O-CG 3.36Å; A142-R146 PolarHBondContact O-N 3.25Å; A143-R146 WeakPolarHBondContact O-CB 3.47Å; A143-R146 PolarHBondContact O-N 2.99Å; R146-K148 VanDerWaalsContact C-N 3.33Å; R146-K148 PolarHBondContact O-N 3.25Å; R146-D149 PolarHBondContact O-N 3.19Å; R146-D149 VanDerWaalsContact O-N 3.12Å; R146-C150 PolarHBondContact O-N 3.43Å
147I87.3Confident86.1Confident36 Ų3689.6 Ų89.619%0.18541%0.406CS..Hα-helixtrans-57.2-49179.1-63.6162.4000109.6N96 Y98 A143 D149 C150 E151N96-I147 HydrophobicContact CB-CG1 4.35Å; N96-I147 VanDerWaalsContact O-CD1 3.32Å; N96-I147 WeakPolarHBondContact O-CD1 3.44Å; Y98-I147 HydrophobicContact CE1-CD1 4.32Å; Y98-I147 HydrophobicContact CE2-CD1 3.62Å; Y98-I147 WeakPolarHBondContact OH-CD1 3.38Å; A143-I147 WeakPolarHBondContact O-CG1 3.3Å; A143-I147 PolarHBondContact O-N 2.71Å; I147-D149 VanDerWaalsContact C-N 3.3Å; I147-D149 PolarHBondContact O-N 3.44Å; I147-C150 CarbonylContact O-C 3.58Å; I147-C150 WeakPolarHBondContact O-CA 3.07Å; I147-C150 VanDerWaalsContact O-CB 3.31Å; I147-C150 WeakPolarHBondContact O-CB 3.34Å; I147-C150 PolarHBondContact O-N 2.81Å; I147-C150 VanDerWaalsContact O-N 3.09Å; I147-E151 HydrophobicContact CG2-CG 4.48Å; I147-E151 WeakPolarHBondContact O-CG 3.3Å; I147-E151 PolarHBondContact O-N 3.16Å
148K87.9Confident85.6Confident97 Ų9793.2 Ų93.242%0.42242%0.415SS..Hα-helixtrans-64.5-29.8178.5-169.6172.5-163.1154.40113.9E144 R146 K152E144-K148 WeakPolarHBondContact O-CB 3.48Å; E144-K148 PolarHBondContact O-N 3.3Å; R146-K148 VanDerWaalsContact C-N 3.33Å; R146-K148 PolarHBondContact O-N 3.25Å; K148-K152 WeakPolarHBondContact O-CB 3.44Å; K148-K152 WeakPolarHBondContact O-CG 3.08Å; K148-K152 PolarHBondContact O-N 2.89Å
149D83.4Confident85.5Confident93 Ų9389.7 Ų89.750%0.49741%0.405SS..Hα-helixtrans-75.8-33.8173.1-75.5-20.3000111.9R145 R146 I147 K152 L153R145-D149 WeakPolarHBondContact O-CB 3.15Å; R145-D149 VanDerWaalsContact O-CG 3.32Å; R145-D149 PolarHBondContact O-N 2.98Å; R146-D149 PolarHBondContact O-N 3.19Å; R146-D149 VanDerWaalsContact O-N 3.12Å; I147-D149 VanDerWaalsContact C-N 3.3Å; I147-D149 PolarHBondContact O-N 3.44Å; D149-K152 IonicContact OD1-NZ 2.86Å; D149-K152 PolarHBondContact OD1-NZ 3.08Å; D149-L153 PolarHBondContact O-N 2.87Å; D149-L153 VanDerWaalsContact O-N 3.07Å
150C79.3Confident85.2Confident58 Ų5896.8 Ų96.839%0.39243%0.431SS..Hα-helixtrans-63.4-49.7168.2-171.60000111.5R146 I147 K152 L153 Q154R146-C150 PolarHBondContact O-N 3.43Å; I147-C150 CarbonylContact O-C 3.58Å; I147-C150 WeakPolarHBondContact O-CA 3.07Å; I147-C150 VanDerWaalsContact O-CB 3.31Å; I147-C150 WeakPolarHBondContact O-CB 3.34Å; I147-C150 PolarHBondContact O-N 2.81Å; I147-C150 VanDerWaalsContact O-N 3.09Å; C150-K152 PolarHBondContact O-N 3.47Å; C150-L153 WeakPolarHBondContact O-CA 3.44Å; C150-L153 WeakPolarHBondContact O-CB 3.24Å; C150-L153 PolarHBondContact O-N 3.16Å; C150-Q154 WeakPolarHBondContact O-CG 3.32Å; C150-Q154 PolarHBondContact O-N 3.02Å; C150-Q154 PolarHBondContact SG-NE2 3.3Å
151E83.8Confident84.7Confident107 Ų10796.4 Ų96.450%0.543%0.432SS..Hα-helixtrans-56.2-45.9174.7-71.8177.6164.200112.2I147 L153 Q154 M155I147-E151 HydrophobicContact CG2-CG 4.48Å; I147-E151 WeakPolarHBondContact O-CG 3.3Å; I147-E151 PolarHBondContact O-N 3.16Å; E151-L153 VanDerWaalsContact C-N 3.26Å; E151-L153 PolarHBondContact O-N 2.98Å; E151-Q154 PolarHBondContact O-N 3.28Å; E151-M155 WeakPolarHBondContact O-CB 3.42Å; E151-M155 VanDerWaalsContact O-CG 3.31Å; E151-M155 WeakPolarHBondContact O-CG 3.47Å; E151-M155 PolarHBondContact O-N 3.28Å
152K84.8Confident84.4Confident94 Ų9495 Ų9541%0.40943%0.431SS..Hα-helixtrans-58.4-38.6174.2-77.5168.4-158.4151.80111.9K148 D149 C150 R156K148-K152 WeakPolarHBondContact O-CB 3.44Å; K148-K152 WeakPolarHBondContact O-CG 3.08Å; K148-K152 PolarHBondContact O-N 2.89Å; D149-K152 IonicContact OD1-NZ 2.86Å; D149-K152 PolarHBondContact OD1-NZ 3.08Å; C150-K152 PolarHBondContact O-N 3.47Å; K152-R156 WeakPolarHBondContact O-CB 3.33Å; K152-R156 VanDerWaalsContact O-CG 3.22Å; K152-R156 WeakPolarHBondContact O-CG 3.42Å; K152-R156 PolarHBondContact O-N 3.41Å
153L76.8Confident84.4Confident114 Ų114100.7 Ų100.760%0.59745%0.448SS*.Hα-helixtrans-67.7-46178.8-168.969.4000110.7D149 C150 E151 R156 H157D149-L153 PolarHBondContact O-N 2.87Å; D149-L153 VanDerWaalsContact O-N 3.07Å; C150-L153 WeakPolarHBondContact O-CA 3.44Å; C150-L153 WeakPolarHBondContact O-CB 3.24Å; C150-L153 PolarHBondContact O-N 3.16Å; E151-L153 VanDerWaalsContact C-N 3.26Å; E151-L153 PolarHBondContact O-N 2.98Å; L153-R156 PolarHBondContact O-N 3.43Å; L153-H157 PolarHBondContact O-N 3.4Å
154Q76.2Confident84.2Confident115 Ų115107 Ų10754%0.53748%0.476SS..Hα-helixtrans-60.6-45.5174.8-66.1-179.921.100111.9C150 E151 R156 H157 R158C150-Q154 WeakPolarHBondContact O-CG 3.32Å; C150-Q154 PolarHBondContact O-N 3.02Å; C150-Q154 PolarHBondContact SG-NE2 3.3Å; E151-Q154 PolarHBondContact O-N 3.28Å; Q154-R156 PolarHBondContact O-N 3.38Å; Q154-H157 WeakPolarHBondContact O-CB 3.46Å; Q154-H157 PolarHBondContact O-N 2.8Å; Q154-H157 VanDerWaalsContact O-N 3.16Å; Q154-R158 WeakPolarHBondContact O-CB 3.36Å; Q154-R158 PolarHBondContact O-N 3.35Å
155M82.7Confident83.9Confident124 Ų124109.9 Ų109.961%0.61149%0.487SS*.Hα-helixtrans-63.1-41.7176.5-73.6-65.7-76.800112.1E151 H157 R158 E159E151-M155 WeakPolarHBondContact O-CB 3.42Å; E151-M155 VanDerWaalsContact O-CG 3.31Å; E151-M155 WeakPolarHBondContact O-CG 3.47Å; E151-M155 PolarHBondContact O-N 3.28Å; M155-H157 VanDerWaalsContact C-N 3.31Å; M155-H157 PolarHBondContact O-N 3.02Å; M155-R158 PolarHBondContact O-N 2.99Å; M155-E159 WeakPolarHBondContact O-CB 3.35Å; M155-E159 PolarHBondContact O-N 3Å
156R83.3Confident83.5Confident152 Ų152108 Ų10857%0.57449%0.486SS*.Hα-helixtrans-64.8-32.8173.1-77171.5173.6-174.6-0.2112.8K152 L153 Q154 R160K152-R156 WeakPolarHBondContact O-CB 3.33Å; K152-R156 VanDerWaalsContact O-CG 3.22Å; K152-R156 WeakPolarHBondContact O-CG 3.42Å; K152-R156 PolarHBondContact O-N 3.41Å; L153-R156 PolarHBondContact O-N 3.43Å; Q154-R156 PolarHBondContact O-N 3.38Å; R156-R160 WeakPolarHBondContact O-CB 2.86Å; R156-R160 WeakPolarHBondContact O-CD 3.41Å; R156-R160 WeakPolarHBondContact O-CG 3.48Å; R156-R160 PolarHBondContact O-N 2.81Å
157H77Confident83.4Confident117 Ų117113 Ų11354%0.54251%0.51SS..Hα-helixtrans-69.2-49173.5-175.398.7000110.7L153 Q154 M155 E159 R160 M161L153-H157 PolarHBondContact O-N 3.4Å; Q154-H157 WeakPolarHBondContact O-CB 3.46Å; Q154-H157 PolarHBondContact O-N 2.8Å; Q154-H157 VanDerWaalsContact O-N 3.16Å; M155-H157 VanDerWaalsContact C-N 3.31Å; M155-H157 PolarHBondContact O-N 3.02Å; H157-E159 PolarHBondContact O-N 2.88Å; H157-R160 WeakPolarHBondContact O-CB 3.47Å; H157-R160 PolarHBondContact O-N 3.12Å; H157-R160 VanDerWaalsContact O-N 3.13Å; H157-M161 PolarHBondContact O-N 3.5Å
158R83.7Confident83Confident142 Ų142117.3 Ų117.354%0.53653%0.529SS..Hα-helixtrans-56.8-50.1176.9-165.2-172-60.2-105.2-0.6111.8Q154 M155 R160 M161 E162Q154-R158 WeakPolarHBondContact O-CB 3.36Å; Q154-R158 PolarHBondContact O-N 3.35Å; M155-R158 PolarHBondContact O-N 2.99Å; R158-R160 VanDerWaalsContact C-N 3.27Å; R158-R160 PolarHBondContact O-N 2.92Å; R158-M161 PolarHBondContact O-N 3.01Å; R158-E162 WeakPolarHBondContact CG-OE1 3.5Å; R158-E162 WeakPolarHBondContact O-CG 3.24Å; R158-E162 PolarHBondContact O-N 3.1Å
159E88.9Confident82.3Confident80 Ų80114 Ų11437%0.37452%0.518SS..Hα-helixtrans-60-34.4176.8-169.1-162.5-155.600112.2M155 H157 R163M155-E159 WeakPolarHBondContact O-CB 3.35Å; M155-E159 PolarHBondContact O-N 3Å; H157-E159 PolarHBondContact O-N 2.88Å; E159-R163 VanDerWaalsContact CD-NH2 3.33Å; E159-R163 VanDerWaalsContact O-CB 3.23Å; E159-R163 WeakPolarHBondContact O-CB 3.48Å; E159-R163 WeakPolarHBondContact O-CG 3.39Å; E159-R163 PolarHBondContact O-N 3.28Å; E159-R163 IonicContact OE1-CZ 2.81Å; E159-R163 IonicContact OE1-NH1 3.05Å; E159-R163 PolarHBondContact OE1-NH1 3.02Å; E159-R163 IonicContact OE1-NH2 3.35Å; E159-R163 PolarHBondContact OE1-NH2 3.22Å; E159-R163 IonicContact OE2-CZ 3.11Å; E159-R163 IonicContact OE2-NH1 3.26Å; E159-R163 PolarHBondContact OE2-NH1 3.47Å; E159-R163 IonicContact OE2-NH2 2.63Å
160R87.1Confident81.9Confident153 Ų153113 Ų11358%0.57752%0.516SS*.Hα-helixtrans-69.4-38.6173.6-77.5168.8179.7155.3-4.3112.2R156 H157 R158 K164R156-R160 WeakPolarHBondContact O-CB 2.86Å; R156-R160 WeakPolarHBondContact O-CD 3.41Å; R156-R160 WeakPolarHBondContact O-CG 3.48Å; R156-R160 PolarHBondContact O-N 2.81Å; H157-R160 WeakPolarHBondContact O-CB 3.47Å; H157-R160 PolarHBondContact O-N 3.12Å; H157-R160 VanDerWaalsContact O-N 3.13Å; R158-R160 VanDerWaalsContact C-N 3.27Å; R158-R160 PolarHBondContact O-N 2.92Å; R160-K164 WeakPolarHBondContact O-CG 3.46Å; R160-K164 PolarHBondContact O-N 3.44Å
161M81.3Confident81.6Confident96 Ų96112.5 Ų112.547%0.47352%0.516SS..Hα-helixtrans-69.4-46.5176.6-69.3-58.4-68.900111.1H157 R158 R163 K164 F165H157-M161 PolarHBondContact O-N 3.5Å; R158-M161 PolarHBondContact O-N 3.01Å; M161-R163 VanDerWaalsContact C-N 3.31Å; M161-R163 PolarHBondContact O-N 3.44Å; M161-K164 WeakPolarHBondContact O-CB 3.34Å; M161-K164 PolarHBondContact O-N 2.99Å; M161-K164 HydrophobicContact SD-CD 4.27Å; M161-F165 WeakPolarHBondContact O-CB 3.43Å; M161-F165 PolarHBondContact O-N 3.3Å
162E86.2Confident80.7Confident106 Ų106112 Ų11250%0.49552%0.516SS..Hα-helixtrans-58.5-40.9173.2-70.7167.9-176.700111.8R158 K164 F165 M166R158-E162 WeakPolarHBondContact CG-OE1 3.5Å; R158-E162 WeakPolarHBondContact O-CG 3.24Å; R158-E162 PolarHBondContact O-N 3.1Å; E162-K164 VanDerWaalsContact C-N 3.34Å; E162-K164 PolarHBondContact O-N 3.19Å; E162-F165 PolarHBondContact O-N 2.8Å; E162-M166 WeakPolarHBondContact O-CB 3.34Å; E162-M166 VanDerWaalsContact O-CG 3.27Å; E162-M166 WeakPolarHBondContact O-CG 3.35Å; E162-M166 PolarHBondContact O-N 2.9Å
163R88.1Confident79.8Confident138 Ų138112.3 Ų112.352%0.52152%0.522SS..Hα-helixtrans-67.5-28.3173.7-80.9174.8171.7142.710114.4E159 M161 K167E159-R163 VanDerWaalsContact CD-NH2 3.33Å; E159-R163 VanDerWaalsContact O-CB 3.23Å; E159-R163 WeakPolarHBondContact O-CB 3.48Å; E159-R163 WeakPolarHBondContact O-CG 3.39Å; E159-R163 PolarHBondContact O-N 3.28Å; E159-R163 IonicContact OE1-CZ 2.81Å; E159-R163 IonicContact OE1-NH1 3.05Å; E159-R163 PolarHBondContact OE1-NH1 3.02Å; E159-R163 IonicContact OE1-NH2 3.35Å; E159-R163 PolarHBondContact OE1-NH2 3.22Å; E159-R163 IonicContact OE2-CZ 3.11Å; E159-R163 IonicContact OE2-NH1 3.26Å; E159-R163 PolarHBondContact OE2-NH1 3.47Å; E159-R163 IonicContact OE2-NH2 2.63Å; M161-R163 VanDerWaalsContact C-N 3.31Å; M161-R163 PolarHBondContact O-N 3.44Å; R163-K167 WeakPolarHBondContact O-CB 3.5Å; R163-K167 WeakPolarHBondContact O-CD 3.32Å; R163-K167 VanDerWaalsContact O-CG 3.22Å; R163-K167 WeakPolarHBondContact O-CG 3.3Å; R163-K167 PolarHBondContact O-N 2.59Å
164K85.2Confident79.1Confident133 Ų133111.2 Ų111.258%0.57852%0.517SS*.Hα-helixtrans-72.8-52.1171.7-77176.3176.3-174.20109.3R160 M161 E162 M166 K167 E168R160-K164 WeakPolarHBondContact O-CG 3.46Å; R160-K164 PolarHBondContact O-N 3.44Å; M161-K164 WeakPolarHBondContact O-CB 3.34Å; M161-K164 PolarHBondContact O-N 2.99Å; M161-K164 HydrophobicContact SD-CD 4.27Å; E162-K164 VanDerWaalsContact C-N 3.34Å; E162-K164 PolarHBondContact O-N 3.19Å; K164-M166 PolarHBondContact O-N 3.36Å; K164-K167 WeakPolarHBondContact O-CA 3.46Å; K164-K167 WeakPolarHBondContact O-CB 3.4Å; K164-K167 PolarHBondContact O-N 3.01Å; K164-E168 WeakPolarHBondContact O-CB 3.39Å; K164-E168 PolarHBondContact O-N 3.13Å
165F84.8Confident78.1Confident141 Ų141110.6 Ų110.662%0.61852%0.516SS*.Hα-helixtrans-53.9-49.4177.4-177.4-97.8000112.1M161 E162 K167 E168 S169M161-F165 WeakPolarHBondContact O-CB 3.43Å; M161-F165 PolarHBondContact O-N 3.3Å; E162-F165 PolarHBondContact O-N 2.8Å; F165-K167 VanDerWaalsContact C-N 3.29Å; F165-K167 PolarHBondContact O-N 3.16Å; F165-E168 PolarHBondContact O-N 3.08Å; F165-E168 VanDerWaalsContact O-N 3.15Å; F165-S169 WeakPolarHBondContact O-CB 3.42Å; F165-S169 PolarHBondContact O-N 3.03Å; F165-S169 PolarHBondContact O-OG 2.89Å
166M80.8Confident76.7Confident115 Ų115109.8 Ų109.857%0.56752%0.515SS*.Hα-helixtrans-67.8-23.4177.5-69.2-66-70.800113.9E162 K164 S169 V170E162-M166 WeakPolarHBondContact O-CB 3.34Å; E162-M166 VanDerWaalsContact O-CG 3.27Å; E162-M166 WeakPolarHBondContact O-CG 3.35Å; E162-M166 PolarHBondContact O-N 2.9Å; K164-M166 PolarHBondContact O-N 3.36Å; M166-S169 PolarHBondContact O-OG 2.95Å; M166-V170 VanDerWaalsContact O-CB 3.29Å; M166-V170 WeakPolarHBondContact O-CB 3.44Å; M166-V170 WeakPolarHBondContact O-CG2 3.23Å; M166-V170 PolarHBondContact O-N 3.29Å
167K83.6Confident75.5Confident161 Ų161105.2 Ų105.270%0.751%0.51SS*.Hα-helixtrans-78.7-35171.4-81.2177.5176-169.80111.8R163 K164 F165 A171R163-K167 WeakPolarHBondContact O-CB 3.5Å; R163-K167 WeakPolarHBondContact O-CD 3.32Å; R163-K167 VanDerWaalsContact O-CG 3.22Å; R163-K167 WeakPolarHBondContact O-CG 3.3Å; R163-K167 PolarHBondContact O-N 2.59Å; K164-K167 WeakPolarHBondContact O-CA 3.46Å; K164-K167 WeakPolarHBondContact O-CB 3.4Å; K164-K167 PolarHBondContact O-N 3.01Å; F165-K167 VanDerWaalsContact C-N 3.29Å; F165-K167 PolarHBondContact O-N 3.16Å; K167-A171 VanDerWaalsContact O-CB 3.29Å; K167-A171 WeakPolarHBondContact O-CB 3.41Å; K167-A171 PolarHBondContact O-N 2.8Å
168E77.9Confident74.5Confident127 Ų127104.9 Ų104.959%0.59351%0.511SS*.Hα-helixtrans-75.8-41.3179.9-169.7165-166.200111K164 F165 A171 L172K164-E168 WeakPolarHBondContact O-CB 3.39Å; K164-E168 PolarHBondContact O-N 3.13Å; F165-E168 PolarHBondContact O-N 3.08Å; F165-E168 VanDerWaalsContact O-N 3.15Å; E168-A171 WeakPolarHBondContact O-CB 3.33Å; E168-A171 PolarHBondContact O-N 3.06Å; E168-L172 WeakPolarHBondContact O-CG 3.28Å; E168-L172 PolarHBondContact O-N 2.87Å
169S74.6Confident72.9Confident28 Ų28101.2 Ų101.220%0.19651%0.507CS..Hα-helixtrans-62.6-47.4170.876.60000111F165 M166 A171 L172 D173F165-S169 WeakPolarHBondContact O-CB 3.42Å; F165-S169 PolarHBondContact O-N 3.03Å; F165-S169 PolarHBondContact O-OG 2.89Å; M166-S169 PolarHBondContact O-OG 2.95Å; S169-A171 PolarHBondContact O-N 2.92Å; S169-L172 CarbonylContact O-C 3.57Å; S169-L172 WeakPolarHBondContact O-CB 3.47Å; S169-L172 PolarHBondContact O-N 3.33Å; S169-L172 VanDerWaalsContact O-N 3.1Å; S169-D173 WeakPolarHBondContact O-CB 3.39Å; S169-D173 PolarHBondContact O-N 2.93Å
170V74.9Confident70.9Confident72 Ų72103.7 Ų103.744%0.43652%0.516SS..Hα-helixtrans-64.8-28.41751700000111.8M166 N174M166-V170 VanDerWaalsContact O-CB 3.29Å; M166-V170 WeakPolarHBondContact O-CB 3.44Å; M166-V170 WeakPolarHBondContact O-CG2 3.23Å; M166-V170 PolarHBondContact O-N 3.29Å; V170-N174 VanDerWaalsContact O-CB 3.31Å; V170-N174 WeakPolarHBondContact O-CB 3.36Å; V170-N174 PolarHBondContact O-N 3.36Å; V170-N174 VanDerWaalsContact O-N 3.08Å; V170-N174 PolarHBondContact O-ND2 3.49Å
171A72.8Confident69.1Low48 Ų4899.2 Ų99.240%0.39751%0.509SS..Hα-helixtrans-70.8-40172.200000112K167 E168 S169 N174 L175K167-A171 VanDerWaalsContact O-CB 3.29Å; K167-A171 WeakPolarHBondContact O-CB 3.41Å; K167-A171 PolarHBondContact O-N 2.8Å; E168-A171 WeakPolarHBondContact O-CB 3.33Å; E168-A171 PolarHBondContact O-N 3.06Å; S169-A171 PolarHBondContact O-N 2.92Å; A171-N174 PolarHBondContact O-N 2.99Å; A171-L175 WeakPolarHBondContact O-CD1 3.34Å; A171-L175 WeakPolarHBondContact O-CG 3.05Å; A171-L175 PolarHBondContact O-N 2.87Å
172L64.4Low67.6Low96 Ų9698.7 Ų98.750%0.50352%0.515SS..Hα-helixtrans-65.9-48.2173.8-74.3160.2000111.7E168 S169 N174 L175 D176E168-L172 WeakPolarHBondContact O-CG 3.28Å; E168-L172 PolarHBondContact O-N 2.87Å; S169-L172 CarbonylContact O-C 3.57Å; S169-L172 WeakPolarHBondContact O-CB 3.47Å; S169-L172 PolarHBondContact O-N 3.33Å; S169-L172 VanDerWaalsContact O-N 3.1Å; L172-N174 PolarHBondContact O-N 2.81Å; L172-L175 CarbonylContact O-C 3.58Å; L172-L175 WeakPolarHBondContact O-CA 3.31Å; L172-L175 WeakPolarHBondContact O-CB 3.33Å; L172-L175 PolarHBondContact O-N 3.35Å; L172-D176 PolarHBondContact O-N 3.41Å
173D65.2Low66Low101 Ų101100.6 Ų100.654%0.5452%0.518SS..Hα-helixtrans-57.3-37.2174.7-63.9-31.7000111.4S169 A177S169-D173 WeakPolarHBondContact O-CB 3.39Å; S169-D173 PolarHBondContact O-N 2.93Å; D173-A177 VanDerWaalsContact O-CB 3.26Å; D173-A177 WeakPolarHBondContact O-CB 3.42Å; D173-A177 PolarHBondContact O-N 3.27Å
174N62.6Low64.2Low91 Ų9198.9 Ų98.949%0.48752%0.523SS..Hα-helixtrans-70.7-37.7173.5-79.2-49.8000112.4V170 A171 L172 A177 I178V170-N174 VanDerWaalsContact O-CB 3.31Å; V170-N174 WeakPolarHBondContact O-CB 3.36Å; V170-N174 PolarHBondContact O-N 3.36Å; V170-N174 VanDerWaalsContact O-N 3.08Å; V170-N174 PolarHBondContact O-ND2 3.49Å; A171-N174 PolarHBondContact O-N 2.99Å; L172-N174 PolarHBondContact O-N 2.81Å; N174-A177 PolarHBondContact O-N 3.19Å; N174-I178 WeakPolarHBondContact O-CB 3.43Å; N174-I178 VanDerWaalsContact O-CD1 3.31Å; N174-I178 WeakPolarHBondContact O-CD1 3.31Å; N174-I178 WeakPolarHBondContact O-CG1 3.47Å; N174-I178 PolarHBondContact O-N 3.45Å
175L56.1Low62.3Low101 Ų10196.8 Ų96.853%0.52953%0.525SS..Hα-helixtrans-64.9-39.4174.5-77.9158.2000111.6A171 L172 I178 S179A171-L175 WeakPolarHBondContact O-CD1 3.34Å; A171-L175 WeakPolarHBondContact O-CG 3.05Å; A171-L175 PolarHBondContact O-N 2.87Å; L172-L175 CarbonylContact O-C 3.58Å; L172-L175 WeakPolarHBondContact O-CA 3.31Å; L172-L175 WeakPolarHBondContact O-CB 3.33Å; L172-L175 PolarHBondContact O-N 3.35Å; L175-I178 PolarHBondContact O-N 3.39Å; L175-S179 WeakPolarHBondContact O-CB 3.38Å; L175-S179 PolarHBondContact O-N 3.47Å; L175-S179 PolarHBondContact O-OG 3.27Å
176D52.9Low60.5Low107 Ų10795.8 Ų95.857%0.57254%0.536SS*.Hα-helixtrans-71.1-38.6175.5-74.2-16.9000111.6L172 S179 F180L172-D176 PolarHBondContact O-N 3.41Å; D176-S179 WeakPolarHBondContact O-CB 3.45Å; D176-S179 PolarHBondContact O-N 3.42Å; D176-F180 WeakPolarHBondContact O-CB 3.4Å; D176-F180 PolarHBondContact O-N 3.17Å
177A57.1Low58.8Low57 Ų5795.5 Ų95.547%0.47155%0.545SS..Hα-helixtrans-64.3-39.1172.400000112.8D173 N174 F180 S181D173-A177 VanDerWaalsContact O-CB 3.26Å; D173-A177 WeakPolarHBondContact O-CB 3.42Å; D173-A177 PolarHBondContact O-N 3.27Å; N174-A177 PolarHBondContact O-N 3.19Å; A177-F180 PolarHBondContact O-N 3.31Å; A177-S181 PolarHBondContact O-N 2.91Å
178I56Low57.1Low109 Ų10994.1 Ų94.156%0.55955%0.551SS**Hα-helixtrans-65.6-42.2173.3-68.6160.8000109.9N174 L175 F180 S181 S182N174-I178 WeakPolarHBondContact O-CB 3.43Å; N174-I178 VanDerWaalsContact O-CD1 3.31Å; N174-I178 WeakPolarHBondContact O-CD1 3.31Å; N174-I178 WeakPolarHBondContact O-CG1 3.47Å; N174-I178 PolarHBondContact O-N 3.45Å; L175-I178 PolarHBondContact O-N 3.39Å; I178-F180 VanDerWaalsContact C-N 3.34Å; I178-F180 PolarHBondContact O-N 3.31Å; I178-S181 PolarHBondContact O-N 3.33Å; I178-S181 VanDerWaalsContact O-N 3.16Å; I178-S181 PolarHBondContact O-OG 3.08Å; I178-S182 PolarHBondContact O-N 3.12Å
179S51.1Low55.2Low65 Ų6596.5 Ų96.546%0.45557%0.566SS.*Hα-helixtrans-61.8-39.4175.3-59.70000112L175 D176 S181 S182L175-S179 WeakPolarHBondContact O-CB 3.38Å; L175-S179 PolarHBondContact O-N 3.47Å; L175-S179 PolarHBondContact O-OG 3.27Å; D176-S179 WeakPolarHBondContact O-CB 3.45Å; D176-S179 PolarHBondContact O-N 3.42Å; S179-S181 PolarHBondContact O-N 3.06Å; S179-S182 WeakPolarHBondContact O-CB 3.22Å; S179-S182 PolarHBondContact O-N 3.02Å; S179-S182 PolarHBondContact O-OG 3.06Å
180F46.1Very low53.7Low132 Ų132100 Ų10058%0.57959%0.591SS**Hα-helixtrans-66.1-34.4174.2-160.7-72.2000112.6D176 A177 I178 S182 Y183D176-F180 WeakPolarHBondContact O-CB 3.4Å; D176-F180 PolarHBondContact O-N 3.17Å; A177-F180 PolarHBondContact O-N 3.31Å; I178-F180 VanDerWaalsContact C-N 3.34Å; I178-F180 PolarHBondContact O-N 3.31Å; F180-S182 VanDerWaalsContact C-N 3.26Å; F180-S182 PolarHBondContact O-N 3.17Å; F180-Y183 HydrophobicContact CB-CE1 4.23Å; F180-Y183 HydrophobicContact CD1-CE1 4.3Å; F180-Y183 HydrophobicContact CD1-CE2 4.16Å; F180-Y183 AromaticContact CD1-CZ 3.7Å; F180-Y183 WeakPolarHBondContact CD1-OH 3.44Å; F180-Y183 HydrophobicContact CD2-CE1 4.15Å; F180-Y183 AromaticContact CD2-CZ 3.86Å; F180-Y183 WeakPolarHBondContact CD2-OH 3.44Å; F180-Y183 HydrophobicContact CE1-CE2 4.14Å; F180-Y183 AromaticContact CE1-CZ 3.85Å; F180-Y183 VanDerWaalsContact CE1-OH 3.29Å; F180-Y183 WeakPolarHBondContact CE1-OH 3.4Å; F180-Y183 WeakPolarHBondContact CE2-OH 3.45Å; F180-Y183 AromaticContact CG-CE1 3.94Å; F180-Y183 HydrophobicContact CG-CE1 3.94Å; F180-Y183 AromaticContact CG-CZ 3.71Å; F180-Y183 WeakPolarHBondContact CG-OH 3.18Å; F180-Y183 WeakPolarHBondContact CZ-OH 3.22Å; F180-Y183 WeakPolarHBondContact O-CD1 3.49Å
181S49.4Very low52.2Low59 Ų59107.1 Ų107.141%0.41361%0.61SS.*Hα-helixtrans-69.4-23.6175.479.70000113.5A177 I178 S179 Y183 T184 S185A177-S181 PolarHBondContact O-N 2.91Å; I178-S181 PolarHBondContact O-N 3.33Å; I178-S181 VanDerWaalsContact O-N 3.16Å; I178-S181 PolarHBondContact O-OG 3.08Å; S179-S181 PolarHBondContact O-N 3.06Å; S181-Y183 VanDerWaalsContact C-N 3.34Å; S181-Y183 PolarHBondContact O-N 2.86Å; S181-T184 PolarHBondContact O-OG1 3.13Å; S181-S185 PolarHBondContact O-OG 3.2Å
182S49.4Very low50.5Low86 Ų86114.6 Ų114.660%0.60163%0.634SS**Hα-helixtrans-72.4-21.9-173.976.50000114.2I178 S179 F180I178-S182 PolarHBondContact O-N 3.12Å; S179-S182 WeakPolarHBondContact O-CB 3.22Å; S179-S182 PolarHBondContact O-N 3.02Å; S179-S182 PolarHBondContact O-OG 3.06Å; F180-S182 VanDerWaalsContact C-N 3.26Å; F180-S182 PolarHBondContact O-N 3.17Å
183Y53.3Low49.4Very low146 Ų146118.8 Ų118.857%0.57365%0.648SS**THydrogen-bonded Turntrans-97.3-7.6179.862.2-115.4000114.9F180 S181F180-Y183 HydrophobicContact CB-CE1 4.23Å; F180-Y183 HydrophobicContact CD1-CE1 4.3Å; F180-Y183 HydrophobicContact CD1-CE2 4.16Å; F180-Y183 AromaticContact CD1-CZ 3.7Å; F180-Y183 WeakPolarHBondContact CD1-OH 3.44Å; F180-Y183 HydrophobicContact CD2-CE1 4.15Å; F180-Y183 AromaticContact CD2-CZ 3.86Å; F180-Y183 WeakPolarHBondContact CD2-OH 3.44Å; F180-Y183 HydrophobicContact CE1-CE2 4.14Å; F180-Y183 AromaticContact CE1-CZ 3.85Å; F180-Y183 VanDerWaalsContact CE1-OH 3.29Å; F180-Y183 WeakPolarHBondContact CE1-OH 3.4Å; F180-Y183 WeakPolarHBondContact CE2-OH 3.45Å; F180-Y183 AromaticContact CG-CE1 3.94Å; F180-Y183 HydrophobicContact CG-CE1 3.94Å; F180-Y183 AromaticContact CG-CZ 3.71Å; F180-Y183 WeakPolarHBondContact CG-OH 3.18Å; F180-Y183 WeakPolarHBondContact CZ-OH 3.22Å; F180-Y183 WeakPolarHBondContact O-CD1 3.49Å; S181-Y183 VanDerWaalsContact C-N 3.34Å; S181-Y183 PolarHBondContact O-N 2.86Å
184T49.9Very low47.9Very low101 Ų101121.6 Ų121.662%0.6266%0.663SS**THydrogen-bonded Turntrans-95.7-7.7171.951.70000112.8S181 S186S181-T184 PolarHBondContact O-OG1 3.13Å; T184-S186 VanDerWaalsContact C-N 3.32Å; T184-S186 PolarHBondContact O-N 3.46Å; T184-S186 VanDerWaalsContact O-N 3.16Å
185S44.6Very low46.6Very low89 Ų89122.7 Ų122.762%0.62267%0.673SS**  trans-90.357.4179.7-62.40000112.9S181 S187S181-S185 PolarHBondContact O-OG 3.2Å; S185-S187 VanDerWaalsContact C-N 3.33Å; S185-S187 PolarHBondContact O-N 2.93Å; S185-S187 VanDerWaalsContact O-N 3.09Å
186S47.3Very low45.6Very low121 Ų121123.4 Ų123.485%0.84668%0.682SS**  trans-76.882.9163.6169.10000110.3T184T184-S186 VanDerWaalsContact C-N 3.32Å; T184-S186 PolarHBondContact O-N 3.46Å; T184-S186 VanDerWaalsContact O-N 3.16Å
187S45Very low44.7Very low109 Ų109124 Ų12476%0.76269%0.689SS**  trans-147.5138154.459.50000111.9S185S185-S187 VanDerWaalsContact C-N 3.33Å; S185-S187 PolarHBondContact O-N 2.93Å; S185-S187 VanDerWaalsContact O-N 3.09Å
188T49.1Very low43.8Very low132 Ų132125.6 Ų125.681%0.8170%0.697SS**  trans-60.7141.2-172.451.20000113.5
189L37.6Very low43Very low177 Ų177128.1 Ų128.193%0.92771%0.712SS**  -164156.5121.2-104.3164.4000112.9
190S42.7Very low42.5Very low102 Ų102132.9 Ų132.971%0.71373%0.729SS**  trans-78146.3-164.1179.10000114.6
191R44.4Very low42.5Very low220 Ų220132.2 Ų132.283%0.8374%0.737SS**  trans-39.3144.7154.5-74.5174.1-86.7179.8-8.7112.7
192K36.8Very low41.8Very low206 Ų206138.5 Ų138.590%0.89675%0.753SS**  trans-158.4130.1130.1-104.3162.2-172.5-178.80110.3
193F40.3Very low41.4Very low184 Ų184138.7 Ų138.781%0.80776%0.755SS**  trans-71.6150.6167.8-86.1-107.5000109.9
194N34.6Very low40.8Very low160 Ų160140.2 Ų140.286%0.85677%0.767SS**  -167.1167122.2-99.7-7.1000112.8
195T35.7Very low40.3Very low114 Ų114140.1 Ų140.170%0.69978%0.776SS**  trans-102.1-179.2-163.353.20000113
196V33.9Very low40Very low116 Ų116142 Ų14270%0.70379%0.785SS**  trans86.4105.7150.4167.60000119
197T34.8Very low39.7Very low120 Ų120143.2 Ų143.274%0.73678%0.781SS**  trans68.5144.9137.964.50000125.2
198S38.4Very low39.5Very low90 Ų90147.2 Ų147.263%0.62979%0.787SS**  trans77.9113.4135.462.10000122.2
199N39.2Very low38.9Very low162 Ų162145.8 Ų145.887%0.86678%0.782SS**  83.7139.5125.2-61-1.9000121.9
200M39.7Very low39Very low165 Ų165144 Ų14481%0.81378%0.779SS**  trans-65154.3173.4-148.5-172.2-171.200112.3
201P47Very low38.8Very low117 Ų117143.6 Ų143.676%0.7678%0.781SS**  -137.6147.29517.64.5000112.3
202Y35Very low38.8Very low191 Ų191143.4 Ų143.475%0.74979%0.787SS**  80.2122.962.4-165.2-94.7000115.9
203S39.8Very low38.7Very low91 Ų91137.7 Ų137.764%0.63679%0.786SS**  trans68.9148.1173.278.70000116.8
204Q41.6Very low38.7Very low178 Ų178139.1 Ų139.183%0.83279%0.792SS**  cis-131.4158.614.3-68.9178.1-1.500113.3
205A39Very low38.9Very low98 Ų98135.9 Ų135.981%0.8179%0.787SS**  trans-100.2143.2165.800000110.2
206T37.3Very low39.2Very low130 Ų130139.2 Ų139.280%0.79879%0.792SS**  trans-138.8133.3157.8-58.20000109.5
207L41.5Very low39.6Very low146 Ų146140.3 Ų140.376%0.76479%0.792SS**  trans-71159.4-179.4-65.1141.3000111.6
208H41Very low39.9Very low193 Ų193142.7 Ų142.789%0.89480%0.795SS**  -167.5136.3122.7-90.9-55000111.2
209S35.9Very low39.9Very low101 Ų101147.7 Ų147.771%0.70681%0.806SS**  trans-147.3110.7-177.757.60000111.4
210T40.4Very low39.7Very low141 Ų141150 Ų15087%0.86581%0.808SS**  trans-153.5121166.942.70000114.3
211A38.5Very low39.5Very low92 Ų92149.4 Ų149.476%0.7681%0.807SS**  trans53.1101.913600000123.1
212K44.4Very low39Very low217 Ų217152.9 Ų152.994%0.94381%0.813SS**  40.1113.6122.7-61176.9-179.1174.70120.2
213G33.5Very low39.1Very low85 Ų85153 Ų15388%0.87682%0.818SS**  trans-160.4129.8159.300000113
214K41.1Very low38.9Very low214 Ų214158.2 Ų158.293%0.9383%0.829SS**  trans-83.6139.4-170.1-58.8165.6179.6171.50113.3
215A39.8Very low38.8Very low92 Ų92158.8 Ų158.876%0.7683%0.829SS**  177.3127.8117.600000116
216K41.5Very low38.9Very low185 Ų185163 Ų16380%0.80483%0.832SS**  trans54.5115.2141.6-65.6-178.8179.4178.50122.5
217I42.2Very low38.8Very low138 Ų138161.7 Ų161.771%0.70882%0.823SS**  trans72.8124.5132.5-57.5168.4000114.9
218Q40.5Very low38.7Very low170 Ų170161.6 Ų161.679%0.79482%0.823SS**  cis-159.5173.637.1-143.1156.74000113.9
219K38.5Very low39.2Very low196 Ų196156.4 Ų156.485%0.85282%0.823SS**  trans66.892.8166.3-70.7-176.1177.1176.40119
220K34.8Very low39.3Very low209 Ų209156.9 Ų156.991%0.90982%0.821SS**  trans-83.9142.7147.4-69.8-179.2173.3-175.70110
221L35.3Very low39.1Very low153 Ų153159.8 Ų159.880%0.80182%0.822SS**  trans-152.878.1148.7-171.465.4000111K223L221-K223 HydrophobicContact CD1-CG 4.46Å
222E37.9Very low39.2Very low190 Ų190162.8 Ų162.889%0.88882%0.818SS**  trans-101.2124.6157.5-72.7-167.6155.400108.5
223K36.7Very low39.4Very low195 Ų195160 Ų16085%0.84881%0.812SS**  trans-91.5113.1174.3-78.4-176.5175.1178.80109.9L221L221-K223 HydrophobicContact CD1-CG 4.46Å
224K35.2Very low39.7Very low200 Ų200165.7 Ų165.787%0.8781%0.808SS**  trans-126103.7172.6-163.2176-174.3175.70110.9
225K40.2Very low39.4Very low190 Ų190163.7 Ų163.783%0.82680%0.802SS**  trans30108.7149.6-158.4176.1-174.7-179.20119.2V227K225-V227 HydrophobicContact CG-CG2 4.5Å
226Q39.7Very low39.8Very low187 Ų187167 Ų16787%0.87481%0.807SS**  trans-135.4133.2153.3-81.3173.7-2200104.8
227V37.2Very low40.4Very low102 Ų102162.4 Ų162.462%0.61881%0.812SS**  cis67.211423.2-171.30000113.8K225K225-V227 HydrophobicContact CG-CG2 4.5Å
228D37.7Very low40.5Very low143 Ų143166.8 Ų166.877%0.76582%0.82SS**  trans66.2110170.2-55.6-19000119T230D228-T230 PolarHBondContact O-N 3.15Å; D228-T230 VanDerWaalsContact O-N 3.1Å
229G51.5Low40.5Very low85 Ų85169.2 Ų169.288%0.87683%0.828SS**  trans-72.197.7179.500000112.8
230T39.4Very low40.6Very low110 Ų110164.4 Ų164.468%0.67582%0.819SS**  trans-119.297.3166.7-540000109.7D228D228-T230 PolarHBondContact O-N 3.15Å; D228-T230 VanDerWaalsContact O-N 3.1Å
231F35.6Very low41Very low203 Ų203162 Ų16289%0.8981%0.814SS**  trans-68131.9169.7-89.9-93.8000110.4
232K41.2Very low41.4Very low155 Ų155165.6 Ų165.667%0.67482%0.817SS**  trans-121110.6169.2-69.7179.2-178.91730108.4Y234K232-Y234 HydrophobicContact CB-CE2 4.33Å
233I48.7Very low41.9Very low157 Ų157160.1 Ų160.181%0.80580%0.8SS**  trans-91.1136.7168.5-60.7170.7000106.9
234Y39.3Very low42.4Very low205 Ų205158.2 Ų158.280%0.80480%0.798SS**  trans-108.3111.5179.2-75.5-95.7000110K232K232-Y234 HydrophobicContact CB-CE2 4.33Å
235E35.3Very low43Very low173 Ų173154.6 Ų154.681%0.80879%0.793SS**  trans-130.4129.9156.9-72.5-174.4146.900108.2G237E235-G237 PolarHBondContact O-N 2.83Å
236D47.9Very low43.3Very low161 Ų161149 Ų14986%0.86179%0.79SS**THydrogen-bonded Turntrans40.666.5164.1-63.1-7.3000119.2R238D236-R238 PolarHBondContact O-N 2.8Å
237G53.4Low43.5Very low88 Ų88146.6 Ų146.691%0.90778%0.782SS**THydrogen-bonded Turntrans69.2-2137.800000119E235E235-G237 PolarHBondContact O-N 2.83Å
238R44Very low43.7Very low231 Ų231150.6 Ų150.687%0.87279%0.794SS**  trans-124.6129.9176.5-67.6-173.9177.4-174.20.3111.3D236 S240D236-R238 PolarHBondContact O-N 2.8Å; R238-S240 PolarHBondContact O-N 2.9Å; R238-S240 VanDerWaalsContact O-N 3.16Å
239K41.5Very low44.1Very low220 Ų220152.1 Ų152.196%0.95780%0.801SS**  trans-69110-178.3-62.1176.9-175.5173.80110.1
240S40.4Very low43.5Very low96 Ų96150.4 Ų150.467%0.67178%0.784SS**  trans-107.3126.2172.7-178.20000109.8R238R238-S240 PolarHBondContact O-N 2.9Å; R238-S240 VanDerWaalsContact O-N 3.16Å
241I42.8Very low44.4Very low157 Ų157150.3 Ų150.381%0.80579%0.787SS**  trans-99.4111.7173.4-59.3174.2000107.7
242R42.9Very low45.2Very low229 Ų229145.6 Ų145.686%0.86477%0.771SS**  trans-128.293.2157.8-64.5-169.8-167.5-172.27.1107.7
243S48.3Very low45.6Very low76 Ų76141.1 Ų141.153%0.53176%0.757SS.*  trans-73.2142.4168.448.80000109.5T245S243-T245 VanDerWaalsContact CB-OG1 3.3Å; S243-T245 WeakPolarHBondContact CB-OG1 3.34Å; S243-T245 PolarHBondContact O-N 3.45Å; S243-T245 VanDerWaalsContact O-N 3.16Å; S243-T245 PolarHBondContact OG-OG1 3.21Å
244L49Very low45.7Very low155 Ų155138.7 Ų138.781%0.81274%0.744SS**  trans-78.921.9168.4-70173000112.3G246 L247L244-G246 VanDerWaalsContact C-N 3.26Å; L244-G246 PolarHBondContact O-N 2.85Å; L244-L247 HydrophobicContact CD2-CD1 4.45Å
245T46.2Very low46.1Very low124 Ų124135.9 Ų135.976%0.76174%0.736SS**THydrogen-bonded Turntrans-76.179.6172.554.20000108.9S243S243-T245 VanDerWaalsContact CB-OG1 3.3Å; S243-T245 WeakPolarHBondContact CB-OG1 3.34Å; S243-T245 PolarHBondContact O-N 3.45Å; S243-T245 VanDerWaalsContact O-N 3.16Å; S243-T245 PolarHBondContact OG-OG1 3.21Å
246G48.3Very low46.6Very low73 Ų73133.4 Ų133.475%0.75373%0.727SS**THydrogen-bonded Turntrans173.8-13.8-177.400000115.3L244 Q248L244-G246 VanDerWaalsContact C-N 3.26Å; L244-G246 PolarHBondContact O-N 2.85Å; G246-Q248 PolarHBondContact O-N 3.49Å
247L42.6Very low46.6Very low136 Ų136134.8 Ų134.871%0.71273%0.726SS**  trans-91.694.5169.9-80.4164.7000110L244 L249L244-L247 HydrophobicContact CD2-CD1 4.45Å; L247-L249 PolarHBondContact O-N 3.16Å
248Q42.6Very low45.9Very low185 Ų185138.2 Ų138.286%0.86472%0.718SS**  trans-68.4109.6167.4-176.8172.2-2.200108.4G246 G250G246-Q248 PolarHBondContact O-N 3.49Å; Q248-G250 PolarHBondContact O-N 2.89Å
249L45.6Very low45.7Very low175 Ų175130.8 Ų130.892%0.91671%0.714SS**  trans-71.275.7165.5-82.5100.2000109.5L247L247-L249 PolarHBondContact O-N 3.16Å
250G39.6Very low45.6Very low50 Ų50126.7 Ų126.752%0.51571%0.707SS.*  trans-79.7112.2144.400000106.9Q248 D252Q248-G250 PolarHBondContact O-N 2.89Å; G250-D252 PolarHBondContact O-N 2.97Å; G250-D252 VanDerWaalsContact O-N 3.07Å
251S57.8Low45.5Very low107 Ų107133.7 Ų133.775%0.74872%0.72SS**THydrogen-bonded Turntrans-61.7110.4170.746.80000109
252D51.6Low45Very low104 Ų104131.1 Ų131.156%0.55672%0.723SS**THydrogen-bonded Turntrans151-1.7147.2-74.3-11.6000113.9G250 F324G250-D252 PolarHBondContact O-N 2.97Å; G250-D252 VanDerWaalsContact O-N 3.07Å; D252-F324 WeakPolarHBondContact O-CA 3.46Å
253V49.3Very low44.5Very low61 Ų61128.1 Ų128.137%0.3772%0.724SS.*EExtended strand (participates in β ladder)trans-124.5126.5179.8-164.30000112F255 M322 F324V253-F255 HydrophobicContact CG1-CE2 4.22Å; V253-M322 HydrophobicContact CG1-CE 3.93Å; V253-M322 HydrophobicContact CG1-CG 3.47Å; V253-M322 VanDerWaalsContact CG1-CG 3.47Å; V253-M322 HydrophobicContact CG1-SD 3.71Å; V253-F324 HydrophobicContact CB-CE1 4.43Å; V253-F324 HydrophobicContact CG1-CE1 4.18Å; V253-F324 HydrophobicContact CG2-CD1 3.89Å; V253-F324 HydrophobicContact CG2-CE1 3.57Å
254M50.7Low44.3Very low107 Ų107129.6 Ų129.653%0.52773%0.732SS.*EExtended strand (participates in β ladder)trans-114.6138.9170.6-62-163.3-52.900111.7M322 V323M254-M322 WeakPolarHBondContact O-CA 3.39Å; M254-V323 PolarHBondContact N-O 3.05Å; M254-V323 PolarHBondContact O-N 3.38Å
255F48.5Very low43.6Very low146 Ų146131.1 Ų131.164%0.6473%0.732SS**EExtended strand (participates in β ladder)trans-109.4122.2175.6-67.3-95.7000110.6V253 M322V253-F255 HydrophobicContact CG1-CE2 4.22Å; F255-M322 HydrophobicContact CD1-CE 4.15Å; F255-M322 HydrophobicContact CE1-CE 3.28Å; F255-M322 HydrophobicContact CE2-CE 4.29Å; F255-M322 HydrophobicContact CZ-CE 3.37Å
256L46.8Very low43Very low120 Ų120132.8 Ų132.863%0.62873%0.731SS**EExtended strand (participates in β ladder)trans-104.3104.5178.2-174.663000111.2G320 T321L256-G320 CarbonylContact O-C 3.5Å; L256-G320 VanDerWaalsContact O-CA 3.26Å; L256-G320 WeakPolarHBondContact O-CA 3.44Å; L256-T321 PolarHBondContact N-O 2.88Å; L256-T321 PolarHBondContact O-N 2.84Å
257K45.9Very low42.5Very low191 Ų191139.7 Ų139.783%0.8373%0.734SS**  trans-79.8121.1176.7-172.3174.3-1771740110.8
258Q40.2Very low41.9Very low159 Ų159137 Ų13774%0.74373%0.731SS**  trans-70.3141.3176.4-67.6178-10.600112
259G40.2Very low41.6Very low76 Ų76139.1 Ų139.178%0.78473%0.731SS**  trans1037315700000118.3
260T37.9Very low41.4Very low133 Ų133138.8 Ų138.882%0.81673%0.729SS**  trans-13866.4156.355.70000112.4
261Y38.1Very low41.1Very low243 Ų243143.7 Ų143.795%0.95374%0.744SS**  trans-147.477.4161.1-89.3-72.8000110.5
262A33.9Very low40.1Very low103 Ų103146 Ų14685%0.85175%0.747SS**  trans-171.3129.8157.400000109
263N31.3Very low39.2Very low167 Ų167150.8 Ų150.889%0.89376%0.757SS**  trans-100.5152.6176.1-145.822.5000109.5
264P45.2Very low38.5Very low107 Ų107152.9 Ų152.970%0.69577%0.766SS**  trans-99.8150.4-157.737.3-35.6000115.1
265K34.5Very low37.5Very low186 Ų186155.3 Ų155.381%0.80978%0.778SS**  trans-149.4136.9151.8-72.4-167.1178.4178.60110.2
266E33.8Very low36.6Very low159 Ų159158.1 Ų158.174%0.74379%0.79SS**  trans64.7143.4162.8-66171.8-133.600116.3
267R36.3Very low36.6Very low219 Ų219157.5 Ų157.583%0.82679%0.793SS**  cis-145.6125.6-4.1-101.3158.3-176.7-170.1-1.8105.4
268A31.2Very low36Very low78 Ų78158.4 Ų158.465%0.64579%0.791SS**  84.5107.582.800000116.2
269R36.1Very low35.4Very low231 Ų231157.4 Ų157.487%0.87279%0.787SS**  trans62.2136.7144.6-56.8174.7176.7139.2-1117
270L39.8Very low35Very low167 Ų167160.8 Ų160.887%0.87479%0.787SS**  -150.6178.857.1-86.5166.2000114.4
271N33.7Very low34.8Very low153 Ų153161 Ų16182%0.81878%0.783SS**  trans-93.2157.1-162.1-72.4-8.2000116.4
272I36.9Very low34.7Very low157 Ų157156.4 Ų156.481%0.80578%0.775SS**  trans-48.5141.8152.8-62.9148.3000112.8
273R33.4Very low34.6Very low204 Ų204158.8 Ų158.877%0.7777%0.774SS**  trans-173.7125.3138-104.3-168.4109.7164.63110.1
274D33.5Very low34.9Very low105 Ų105155.7 Ų155.756%0.56177%0.771SS**  71.1134.4102.3-80.9-1.2000113.2
275M29.6Very low34.4Very low158 Ų158159 Ų15978%0.77878%0.777SS**  cis-145.4167.9-1.5-63.8-160.6169.900110.6
276F29.8Very low34.6Very low205 Ų205157 Ų15790%0.89978%0.781SS**  trans-58.4170.1162.5-66.7-82.2000113.4
277P48.2Very low34.6Very low107 Ų107154.7 Ų154.770%0.69578%0.777SS**  cis-139.2-176.4-2333.1-12.3000115.3
278R32.2Very low34.5Very low209 Ų209149.1 Ų149.179%0.78977%0.772SS**  trans74.1151.2142.4-101.2173.5170.6-141.57.9122.8
279E28.8Very low34.6Very low138 Ų138156.3 Ų156.365%0.64578%0.782SS**  trans64115154.1-71.5157.5-143.700116.2
280N31.7Very low34.3Very low147 Ų147148.8 Ų148.879%0.78677%0.769SS**  -160.7174.865.9-87.9-29.6000114
281D32.7Very low33.7Very low138 Ų138149.4 Ų149.474%0.73877%0.77SS**  trans-68.1161.2177.3-50.9-79.5000114.6
282D35.5Very low33.5Very low146 Ų146147.6 Ų147.678%0.78177%0.769SS**  174.5125.4114.7-85.3-17.4000111.7
283D33.3Very low33.5Very low154 Ų154147.2 Ų147.282%0.82477%0.769SS**  trans28.6125.9142.9-57.4-24.7000121.8
284A37Very low34Very low102 Ų102142.8 Ų142.884%0.84377%0.767SS**  -172.1147100.400000113.6
285E35Very low33.8Very low176 Ų176141 Ų14182%0.82277%0.773SS**  trans-51.4147.6175.8-53168.7117.100115.1
286T39.1Very low33.9Very low144 Ų144142.2 Ų142.288%0.88378%0.782SS**  -155.3126.5121.5-73.60000110.1
287V32.2Very low34.1Very low110 Ų110141.7 Ų141.767%0.66778%0.775SS**  trans-89.1136.3-176.5-179.60000110.9
288S34.3Very low33.1Very low102 Ų102143.7 Ų143.771%0.71378%0.775SS**  trans161.5126.1136.8-74.40000109.5
289R33.4Very low33.1Very low230 Ų230137.7 Ų137.787%0.86877%0.77SS**  56.4142.568.8-75.3-177.2166154.9-4.2113.6
290A29.8Very low33.2Very low72 Ų72135 Ų13560%0.59577%0.771SS**  cis179.5155.7-21.800000106.7
291M27Very low33.2Very low180 Ų180139.1 Ų139.189%0.88778%0.778SS**  trans65.7159.4168.9-42-47-157.200114.5
292S31.1Very low33.4Very low115 Ų115137.7 Ų137.780%0.80478%0.778SS**  cis-161.6164.9-9.828.90000109.7
293D35.7Very low33.5Very low150 Ų150138.9 Ų138.980%0.80278%0.78SS**  trans-55.7-176.3162.7-132.17.5000112.9
294P45.1Very low33.3Very low111 Ų111138.2 Ų138.272%0.72177%0.774SS**  cis-142.7165.9-1.733.9-11.1000119
295G27.8Very low33.2Very low68 Ų68138.9 Ų138.970%0.70177%0.773SS**  trans56.4129.7135.600000124.7
296L32.3Very low33.2Very low183 Ų183135.1 Ų135.196%0.95877%0.772SS**  trans-157.1166.1149.3-138.9104.9000114.6
297Y33.1Very low33.1Very low193 Ų193135.9 Ų135.976%0.75777%0.77SS**  trans-91.2169-172.8-121.3-146.5000112.9
298E28.4Very low33.4Very low150 Ų150136.2 Ų136.270%0.70178%0.778SS**  cis-159.6172.73.7-156176.317600111.6
299A30.9Very low33.6Very low82 Ų82134.6 Ų134.668%0.67878%0.777SS**  trans70.3127.7144.900000123.9
300A32.7Very low34.1Very low81 Ų81135.2 Ų135.267%0.66978%0.78SS**  trans59.4119.3140.700000121.2
301Y31.4Very low35Very low234 Ų234138.7 Ų138.792%0.91879%0.788SS**  167.7141.7108.4-95.3-76.1000109.7
302S35.6Very low36.4Very low108 Ų108134.2 Ų134.276%0.75577%0.774SS**  trans-91.1157.6175.7-62.40000112.1
303E37.3Very low37.6Very low172 Ų172134.4 Ų134.480%0.80477%0.766SS**  trans97.6123.2152.8-54.5-150169.200121.3
304I30.3Very low38.3Very low140 Ų140133.5 Ų133.572%0.71876%0.755SS**  trans82.5101.4143.6-61.9157.3000120.1
305S34.7Very low38.7Very low116 Ų116132.9 Ų132.981%0.81175%0.749SS**  trans35.9120.3134-52.40000122.1
306A36Very low40Very low97 Ų97137.6 Ų137.680%0.80275%0.746SS**  -175.5138.798.400000114.2
307D36Very low40.8Very low159 Ų159135.4 Ų135.485%0.8574%0.742SS**  trans38.2124.7144.2-160.824.1000122.7
308S38.1Very low41.9Very low117 Ų117130.4 Ų130.482%0.81875%0.749SS**  162.1141.4122.7-178.50000112.3
309G38.2Very low43.1Very low68 Ų68128.6 Ų128.670%0.70174%0.744SS**SBendtrans133-3.3152.400000118.8
310R44Very low44.3Very low244 Ų244126 Ų12692%0.92173%0.725SS**  trans-138.3108.7170.7-68.4-170.1179.4-174.61.1111.7S312R310-S312 PolarHBondContact O-N 2.79Å
311D49Very low45.3Very low145 Ų145125.4 Ų125.478%0.77571%0.713SS**  trans-51.2136.9173.1-66-56.5000111.6L313D311-L313 PolarHBondContact O-N 2.61Å
312S55.7Low46.1Very low85 Ų85117 Ų11759%0.59468%0.683SS**  trans-55.6137.3173.9-82.90000110.8R310 F314 T315R310-S312 PolarHBondContact O-N 2.79Å; S312-F314 PolarHBondContact O-N 3.45Å; S312-T315 PolarHBondContact O-N 2.83Å; S312-T315 VanDerWaalsContact O-N 3.07Å; S312-T315 PolarHBondContact O-OG1 2.85Å; S312-T315 VanDerWaalsContact O-OG1 3.07Å
313L57Low46.8Very low120 Ų120115.4 Ų115.463%0.62867%0.668SS**THydrogen-bonded Turntrans-57.7-10.8-175.4-67.8170.4000114.8D311D311-L313 PolarHBondContact O-N 2.61Å
314F51.3Low47.5Very low130 Ų130113.7 Ų113.757%0.5766%0.659SS**THydrogen-bonded Turntrans-91.1-0.9-179.6-55.6-71.5000115.3S312 M322S312-F314 PolarHBondContact O-N 3.45Å; F314-M322 HydrophobicContact CE1-SD 4.32Å
315T52.7Low48.4Very low98 Ų98115.1 Ų115.160%0.60166%0.655SS**SBendtrans-114.69.4177.351.90000114.3S312S312-T315 PolarHBondContact O-N 2.83Å; S312-T315 VanDerWaalsContact O-N 3.07Å; S312-T315 PolarHBondContact O-OG1 2.85Å; S312-T315 VanDerWaalsContact O-OG1 3.07Å
316R56.2Low48.8Very low168 Ų168119.6 Ų119.663%0.63465%0.654SS**SBendtrans-65.1128.5177-78.8-173.9164.2-167.3-5.9111.7G318 L319R316-G318 PolarHBondContact O-N 3.19Å; R316-L319 PolarHBondContact O-N 3.01Å; R316-L319 VanDerWaalsContact O-N 3.11Å
317P48.9Very low48.9Very low136 Ų136121.4 Ų121.488%0.88365%0.65SS**THydrogen-bonded Turntrans-60.6125.4-18024.2-33.1000110.7
318G54.8Low49.4Very low88 Ų88122.6 Ų122.691%0.90764%0.644SS**THydrogen-bonded Turntrans109.3-22.7-175.500000114.6R316R316-G318 PolarHBondContact O-N 3.19Å
319L54.8Low49.1Very low113 Ų113125.6 Ų125.659%0.59265%0.647SS**SBendtrans-103.998.3173.8-158.773.8000109R316R316-L319 PolarHBondContact O-N 3.01Å; R316-L319 VanDerWaalsContact O-N 3.11Å
320G55.6Low49Very low26 Ų26129.3 Ų129.327%0.26866%0.657SS.*PPolyproline II helixtrans-60.3150.5-173.900000113.9L256 M322L256-G320 CarbonylContact O-C 3.5Å; L256-G320 VanDerWaalsContact O-CA 3.26Å; L256-G320 WeakPolarHBondContact O-CA 3.44Å; G320-M322 PolarHBondContact O-N 3.36Å
321T53.5Low48.4Very low70 Ų70121.4 Ų121.443%0.42965%0.651SS.*EExtended strand (participates in β ladder)trans-55.2129.4-172.9-490000112.1L256 V323L256-T321 PolarHBondContact N-O 2.88Å; L256-T321 PolarHBondContact O-N 2.84Å; T321-V323 HydrophobicContact CG2-CG2 4.31Å
322M47.8Very low47.6Very low58 Ų58118.1 Ų118.129%0.28665%0.652SS.*EExtended strand (participates in β ladder)trans-94132.1175-179-178.9-76.900109.9V253 M254 F255 F314 G320 F324V253-M322 HydrophobicContact CG1-CE 3.93Å; V253-M322 HydrophobicContact CG1-CG 3.47Å; V253-M322 VanDerWaalsContact CG1-CG 3.47Å; V253-M322 HydrophobicContact CG1-SD 3.71Å; M254-M322 WeakPolarHBondContact O-CA 3.39Å; F255-M322 HydrophobicContact CD1-CE 4.15Å; F255-M322 HydrophobicContact CE1-CE 3.28Å; F255-M322 HydrophobicContact CE2-CE 4.29Å; F255-M322 HydrophobicContact CZ-CE 3.37Å; F314-M322 HydrophobicContact CE1-SD 4.32Å; G320-M322 PolarHBondContact O-N 3.36Å; M322-F324 HydrophobicContact CG-CE2 4.13Å; M322-F324 HydrophobicContact CG-CZ 4.25Å; M322-F324 HydrophobicContact SD-CE1 4.44Å; M322-F324 HydrophobicContact SD-CE2 3.88Å; M322-F324 HydrophobicContact SD-CZ 3.58Å; M322-F324 VanDerWaalsContact SD-CZ 3.58Å
323V51.8Low46.6Very low73 Ų73122.3 Ų122.344%0.44266%0.664SS.*EExtended strand (participates in β ladder)trans-130.2128.6179.7-176.70000110.3M254 T321M254-V323 PolarHBondContact N-O 3.05Å; M254-V323 PolarHBondContact O-N 3.38Å; T321-V323 HydrophobicContact CG2-CG2 4.31Å
324F52Low45.4Very low136 Ų136127 Ų12760%0.59668%0.68SS**EExtended strand (participates in β ladder)trans-96.4142.2173.5-59.5-89.4000110.4D252 V253 M322D252-F324 WeakPolarHBondContact O-CA 3.46Å; V253-F324 HydrophobicContact CB-CE1 4.43Å; V253-F324 HydrophobicContact CG1-CE1 4.18Å; V253-F324 HydrophobicContact CG2-CD1 3.89Å; V253-F324 HydrophobicContact CG2-CE1 3.57Å; M322-F324 HydrophobicContact CG-CE2 4.13Å; M322-F324 HydrophobicContact CG-CZ 4.25Å; M322-F324 HydrophobicContact SD-CE1 4.44Å; M322-F324 HydrophobicContact SD-CE2 3.88Å; M322-F324 HydrophobicContact SD-CZ 3.58Å; M322-F324 VanDerWaalsContact SD-CZ 3.58Å
325R49Very low44.5Very low171 Ų171123.7 Ų123.765%0.64568%0.682SS**  trans-92.1139.8172.4-79.6-174.3172.4-124.71.1110.8
326R41.5Very low43.6Very low209 Ų209127.7 Ų127.779%0.78970%0.698SS**  trans-112.2100.7171.8-171.2177.1-172.21672.7108.6Y328R326-Y328 HydrophobicContact CG-CE2 4.4Å
327N38.4Very low42.3Very low135 Ų135123.6 Ų123.672%0.72271%0.707SS**  trans-83.8116.5179.7-78.4-4.3000111
328Y46.3Very low41.4Very low184 Ų184120.4 Ų120.472%0.72270%0.7SS**  trans-90.1130.2151.2-64.2-100.6000107.1R326R326-Y328 HydrophobicContact CG-CE2 4.4Å
329M33.3Very low40.2Very low180 Ų180127.5 Ų127.589%0.88770%0.699SS**  trans175.5114.1150.8-84.5-11783.500109.8
330T35.2Very low39Very low147 Ų147128.3 Ų128.390%0.90270%0.704SS**  trans-129.2132.2161-60.10000108.1
331G32Very low37.8Very low78 Ų78135.9 Ų135.980%0.80473%0.732SS**  trans106.5130.4155.300000117.3
332G31.4Very low36.8Very low76 Ų76136 Ų13678%0.78475%0.747SS**  trans134.285.7155.700000116.5
333M36.2Very low35.9Very low173 Ų173138.4 Ų138.485%0.85277%0.77SS**  172.8100.2100.2-160.975.279.200112.6
334F31.1Very low34.9Very low219 Ų219141 Ų14196%0.96179%0.785SS**  trans-109.8146.4136.8-101.6-91.5000105.3
335G32.1Very low33.8Very low59 Ų59141.2 Ų141.261%0.60880%0.798SS**  trans-110.6-176.2-163.400000117.3
336I33.4Very low32.8Very low183 Ų183136.1 Ų136.194%0.93880%0.798SS**  trans101.8116.7162.6-56.3175.2000117.1
337G29.3Very low32.3Very low81 Ų81132.2 Ų132.284%0.83580%0.803SS**  trans91.4125.4163.900000115.7
338G29.1Very low31.6Very low70 Ų70134.5 Ų134.572%0.72281%0.809SS**  cis157.1130.8-1100000112.1
339R30.3Very low31.9Very low237 Ų237130.7 Ų130.789%0.89481%0.807SS**  trans66.1151.9176-60-178.9166.6160.3-5.9115.9
340D29.9Very low31.7Very low130 Ų130129 Ų12970%0.69581%0.807SS**  cis-162.3163.6-18.2-105.8-31.2000108.8
341E31.1Very low31.3Very low185 Ų185125.1 Ų125.186%0.86480%0.796SS**  trans66.6133.9152.9-69.9-78.3118.200123.6
342G30.7Very low31.1Very low71 Ų71133.5 Ų133.573%0.73280%0.803SS**  trans74.5109.9143.600000120.2
343S29.7Very low31Very low110 Ų110134.1 Ų134.177%0.76980%0.801SS**  cis107.499.724.7-164.30000115.5
344V30.7Very low31.4Very low127 Ų127131.3 Ų131.377%0.7780%0.796SS**  trans87.7144.2132.6173.20000122.3
345V29.6Very low31.3Very low141 Ų141129 Ų12986%0.85579%0.794SS**  trans73.7136.9177.4-154.20000117
346G27.4Very low31.2Very low64 Ų64132.2 Ų132.266%0.6680%0.801SS**  cis159.9164.9-9.100000113.3
347S30.2Very low31Very low127 Ų127134.7 Ų134.789%0.88880%0.799SS**  trans80.3127.4164.1-50.50000121.3
348E25.7Very low31Very low182 Ų182139.7 Ų139.785%0.8581%0.805SS**  trans-81.4-179.1164.1-100-166177.700112.5
349P51.4Low31Very low104 Ų104147.2 Ų147.268%0.67581%0.812SS**  cis-135.2-170.4-32.835.6-17.2000112.2
350V28.9Very low30.9Very low145 Ų145139 Ų13988%0.87980%0.801SS**  trans142.5130.1144.1165.50000112.3
351G27.4Very low30.8Very low66 Ų66141.3 Ų141.368%0.6881%0.807SS**  trans115.4109145.300000119.3
352R28.2Very low30.9Very low253 Ų253139.9 Ų139.996%0.95581%0.805SS**  trans48.6115.1141-112.1176.9-174.4167.31.8120.5
353A29.1Very low31Very low90 Ų90142.3 Ų142.374%0.74481%0.808SS**  trans-88.4-179.6153.500000110.8
354P44.7Very low31Very low114 Ų114145.7 Ų145.774%0.7481%0.811SS**  cis-127.2168.5-14.633-15.2000113.8
355N28.2Very low30.8Very low171 Ų171151 Ų15191%0.91482%0.817SS**  trans-107.1140.6161.7-96.7-36.7000111
356V29.5Very low30.8Very low125 Ų125149.6 Ų149.676%0.75881%0.814SS**  trans-94.3135.6177.8-175.60000109.6
357R30.1Very low31.6Very low236 Ų236152.1 Ų152.189%0.89182%0.819SS**  trans157.9114.7132-87.2169.4-178.2-177.20.6111.3
358L28.3Very low31.6Very low185 Ų185149.9 Ų149.997%0.96980%0.803SS**  trans-87.4122.7158-71.6167.7000108.2
359R30.4Very low31.8Very low228 Ų228150.9 Ų150.986%0.8681%0.805SS**  trans-127.3113.3158.5-129.5-167.3-170.2-134.33.5107
360G26.8Very low30.9Very low66 Ų66152 Ų15268%0.6881%0.805SS**  trans-81.3145.8167.600000110
361H29.3Very low31.3Very low177 Ų177153.6 Ų153.682%0.81980%0.803SS**  trans-150.9145.5149.6-110.7-74.3000110.3
362L32.7Very low31.7Very low156 Ų156157.5 Ų157.582%0.81781%0.809SS**PPolyproline II helixtrans-66.6158173.4-77.3155.1000111.4
363P32.9Very low32.3Very low121 Ų121150.7 Ų150.779%0.78680%0.8SS**PPolyproline II helixtrans-75.7146-170.831-35.9000113.1
364Q29.1Very low32.8Very low182 Ų182154.7 Ų154.785%0.8581%0.807SS**PPolyproline II helixtrans-99.7146.2169.3-88.5-70.411.700111.9
365R27.8Very low32.3Very low237 Ų237152.8 Ų152.889%0.89481%0.808SS**PPolyproline II helixtrans-91.4154.5163.9-106-178.7171.2-174-2.4109.2
366S28Very low32.8Very low112 Ų112149 Ų14978%0.78379%0.794SS**  trans-158.3176.5168.161.30000108.5
367P45.5Very low33.3Very low117 Ų117148 Ų14876%0.7680%0.8SS**  cis-114.5-157.1-8.546.2-33.4000109.6
368S28.6Very low33.8Very low81 Ų81145.3 Ų145.357%0.56680%0.795SS**  cis-164151.1-8.827.70000107.2
369F30.6Very low34.5Very low202 Ų202140.1 Ų140.189%0.88677%0.774SS**  trans-174.7153.5130.6-97.2-62.1000109.5
370D33.6Very low35Very low127 Ų127136.2 Ų136.268%0.67977%0.77SS**  trans-101.3167.2-146.9-54.7-75.2000116.5
371E37.3Very low35.8Very low179 Ų179140 Ų14084%0.83677%0.769SS**  trans51.1128.6153.9-69.8172.8155.800118.4
372D35Very low36.5Very low148 Ų148139.4 Ų139.479%0.79177%0.767SS**  -173.1164.756.6-139.7-18.5000114.7
373S41.4Very low37Very low111 Ų111141.9 Ų141.978%0.77677%0.766SS**  trans59.7121.1153.6-154.60000122.8
374I39Very low37.2Very low174 Ų174142.3 Ų142.389%0.89276%0.761SS**  trans-95128.6170.2-68.7167.1000110.6
375G35.1Very low37.8Very low73 Ų73141.1 Ų141.175%0.75376%0.76SS**  trans108.3105.7144.400000118.1
376S37.5Very low38.4Very low91 Ų91136.9 Ų136.964%0.63675%0.75SS**  trans-152.3127.9145.852.40000110.7F378S376-F378 PolarHBondContact O-N 3.09Å
377A39.8Very low39.1Very low106 Ų106139.2 Ų139.288%0.87675%0.749SS**THydrogen-bonded Turntrans-81.329.9-169.100000114.5
378F40.2Very low38.7Very low178 Ų178140 Ų14078%0.78175%0.746SS**THydrogen-bonded Turntrans-117.3-14.1-179.5-84-90000113.9S376 L380 Q381S376-F378 PolarHBondContact O-N 3.09Å; F378-L380 PolarHBondContact O-N 3.42Å; F378-Q381 PolarHBondContact O-N 3.32Å
379S44.7Very low39.4Very low77 Ų77142 Ų14254%0.53876%0.757SS.*THydrogen-bonded Turntrans-73.56.9-175.7-45.80000116.2
380L39.2Very low39.9Very low145 Ų145143.1 Ų143.176%0.75976%0.755SS**THydrogen-bonded Turntrans-93.8-23.5174.2-82.2172.9000113.3F378F378-L380 PolarHBondContact O-N 3.42Å
381Q44.1Very low40.3Very low145 Ų145145 Ų14568%0.67876%0.761SS**THydrogen-bonded Turntrans-78-32.7-175.2-15767.412.200112.5F378 R383 N384F378-Q381 PolarHBondContact O-N 3.32Å; Q381-R383 VanDerWaalsContact C-N 3.33Å; Q381-R383 PolarHBondContact O-N 3.46Å; Q381-N384 PolarHBondContact O-N 3.09Å
382E43.9Very low40.9Very low166 Ų166145.5 Ų145.578%0.77676%0.763SS**G310 helixtrans-79.6-10.1179.4-70.2-179145.500114N384E382-N384 VanDerWaalsContact C-N 3.27Å
383R42.9Very low41.2Very low208 Ų208144.1 Ų144.179%0.78576%0.759SS**G310 helixtrans-82.1-2.8169.6-69.5-167.6-176.2-175.82.4113.8Q381Q381-R383 VanDerWaalsContact C-N 3.33Å; Q381-R383 PolarHBondContact O-N 3.46Å
384N38.7Very low41.4Very low129 Ų129146.2 Ų146.269%0.6976%0.762SS**G310 helixtrans-97.99.6178.1-126.2-33.7000113Q381 E382Q381-N384 PolarHBondContact O-N 3.09Å; E382-N384 VanDerWaalsContact C-N 3.27Å
385L41.8Very low41.3Very low157 Ų157144 Ų14482%0.82275%0.75SS**SBendtrans-120.58.1175.2-70.1174.7000113.1
386Q39.2Very low41.7Very low148 Ų148143.4 Ų143.469%0.69275%0.745SS**SBendtrans-87.4124.8163.9-159.47159.200107.6L388Q386-L388 PolarHBondContact O-N 2.94Å
387E42.6Very low41.8Very low161 Ų161145.8 Ų145.875%0.75275%0.749SS**PPolyproline II helixtrans-46.9129.5-173.9-71.2135.7141.100112.7
388L37.9Very low41.9Very low134 Ų134146.7 Ų146.770%0.70274%0.74SS**PPolyproline II helixtrans-58.7131.3165.1-70.4165.4000107.4Q386 W390Q386-L388 PolarHBondContact O-N 2.94Å; L388-W390 PolarHBondContact O-N 3.33Å
389P43.6Very low42.1Very low123 Ų123146.5 Ų146.580%0.79974%0.741SS**SBendtrans-66.322.7-178.6-24.735.9000116.6E391P389-E391 PolarHBondContact O-N 3.39Å
390W40.8Very low42.2Very low225 Ų225150.2 Ų150.285%0.85276%0.755SS**  trans-91.240.5163.6-48.1108.5000110L388L388-W390 PolarHBondContact O-N 3.33Å
391E41.8Very low42.6Very low168 Ų168150.9 Ų150.979%0.78576%0.756SS**  trans-53.1141153.9-168.9172.5-145.100106.9P389 V393P389-E391 PolarHBondContact O-N 3.39Å; E391-V393 PolarHBondContact O-N 3.07Å
392E50.7Low42.8Very low188 Ų188151.4 Ų151.488%0.87976%0.759SS**  trans-66.576.1-171.2-64.9171.3147.600110.9D394E392-D394 PolarHBondContact O-N 2.93Å
393V40.4Very low43Very low119 Ų119147.6 Ų147.672%0.72175%0.75SS**  trans-64.494.6153.2179.90000104.4E391 I395E391-V393 PolarHBondContact O-N 3.07Å; V393-I395 VanDerWaalsContact C-N 3.29Å; V393-I395 WeakPolarHBondContact O-CG1 3.34Å; V393-I395 PolarHBondContact O-N 3.11Å
394D46.6Very low43.5Very low155 Ų155146.2 Ų146.283%0.82975%0.753SS**  trans-43.9101.4161.7-159.79.5000106.1E392 G396E392-D394 PolarHBondContact O-N 2.93Å; D394-G396 PolarHBondContact O-N 2.97Å
395I36.3Very low44.5Very low127 Ų127145.2 Ų145.265%0.65175%0.747SS**  trans-69.8100-178.8-59.1179.1000103V393 L397V393-I395 VanDerWaalsContact C-N 3.29Å; V393-I395 WeakPolarHBondContact O-CG1 3.34Å; V393-I395 PolarHBondContact O-N 3.11Å; I395-L397 HydrophobicContact CG2-CD2 3.78Å; I395-L397 HydrophobicContact CG2-CG 3.95Å; I395-L397 PolarHBondContact O-N 3.36Å
396G43.7Very low46.5Very low62 Ų62140.8 Ų140.864%0.63973%0.725SS**  trans-5877.8158.100000107.7D394 D398D394-G396 PolarHBondContact O-N 2.97Å; G396-D398 PolarHBondContact O-N 3.36Å
397L39.8Very low48.9Very low140 Ų140137.4 Ų137.473%0.73372%0.716SS**  trans-59.9100.8153.6-64.7176.6000103I395 E399I395-L397 HydrophobicContact CG2-CD2 3.78Å; I395-L397 HydrophobicContact CG2-CG 3.95Å; I395-L397 PolarHBondContact O-N 3.36Å; L397-E399 PolarHBondContact O-N 3.02Å
398D40.8Very low51.1Low126 Ų126129.9 Ų129.967%0.67468%0.68SS**  trans-57.795.1164.8-68.1-41.8000106G396 D400 M401G396-D398 PolarHBondContact O-N 3.36Å; D398-D400 PolarHBondContact O-N 2.83Å; D398-M401 PolarHBondContact O-N 3.42Å
399E45.8Very low53.6Low173 Ų173128.1 Ų128.181%0.80867%0.668SS**G310 helixtrans-57-17.2-179.6-65.1-175.114400111.2L397 M401 E402L397-E399 PolarHBondContact O-N 3.02Å; E399-M401 PolarHBondContact O-N 3.02Å; E399-E402 PolarHBondContact O-N 3.2Å
400D46.6Very low55.9Low155 Ų155125.6 Ų125.683%0.82965%0.651SS**G310 helixtrans-70.8-2.4174.6-65.8-33.7000115.3D398D398-D400 PolarHBondContact O-N 2.83Å
401M47.1Very low58.3Low160 Ų160115.6 Ų115.679%0.78861%0.613SS**G310 helixtrans-121.920.4175.3-73.9-64.1-53.500114.5D398 E399 S403D398-M401 PolarHBondContact O-N 3.42Å; E399-M401 PolarHBondContact O-N 3.02Å; M401-S403 VanDerWaalsContact C-N 3.28Å; M401-S403 PolarHBondContact O-N 2.9Å
402E47Very low60.7Low156 Ų156107.6 Ų107.673%0.72958%0.576SS**  trans-64.198146.5-77.5-156.2143.500108.4E399 E404E399-E402 PolarHBondContact O-N 3.2Å; E402-E404 PolarHBondContact O-N 3.45Å
403S49.2Very low62.6Low85 Ų85101.3 Ų101.359%0.59456%0.557SS**  trans-54.9111148.653.10000106M401 N405M401-S403 VanDerWaalsContact C-N 3.28Å; M401-S403 PolarHBondContact O-N 2.9Å; S403-N405 WeakPolarHBondContact O-CA 3.42Å; S403-N405 PolarHBondContact O-N 2.89Å
404E52.9Low65Low180 Ų18099.4 Ų99.484%0.84155%0.549SS*.  trans-42.8103.3177-70.4-178.6162.800108E402 N406E402-E404 PolarHBondContact O-N 3.45Å; E404-N406 PolarHBondContact O-N 2.94Å
405N60.8Low67.1Low107 Ų10794.3 Ų94.357%0.57252%0.52SS*.  trans-77.771.5-169.8-84.5-55.5000107.9S403 P407 T410S403-N405 WeakPolarHBondContact O-CA 3.42Å; S403-N405 PolarHBondContact O-N 2.89Å; N405-P407 VanDerWaalsContact O-CD 3.29Å; N405-P407 WeakPolarHBondContact O-CD 3.42Å; N405-T410 HydrophobicContact CB-CG2 4.44Å
406N83.5Confident69.7Low65 Ų6590.6 Ų90.635%0.34851%0.513SS..  trans-51.4116.3-170.7-176.3-14.1000108E404 L408 E409 T410E404-N406 PolarHBondContact O-N 2.94Å; N406-L408 PolarHBondContact O-N 2.77Å; N406-L408 WeakPolarHBondContact OD1-CB 3.43Å; N406-L408 PolarHBondContact OD1-N 3.33Å; N406-E409 HydrophobicContact CB-CB 4.06Å; N406-E409 WeakPolarHBondContact O-CA 3.44Å; N406-E409 WeakPolarHBondContact O-CB 3.48Å; N406-E409 PolarHBondContact O-N 3.12Å; N406-T410 PolarHBondContact O-N 3.18Å; N406-T410 VanDerWaalsContact O-N 3.12Å
407P88.7Confident72Confident77 Ų7787.9 Ų87.950%0.548%0.484SS..Hα-helixtrans-56.7-27.5-173.6-29.336.5000112.7N405 T410 F411 L431N405-P407 VanDerWaalsContact O-CD 3.29Å; N405-P407 WeakPolarHBondContact O-CD 3.42Å; P407-T410 PolarHBondContact O-OG1 2.93Å; P407-F411 WeakPolarHBondContact O-CB 3.4Å; P407-F411 PolarHBondContact O-N 3.44Å; P407-F411 VanDerWaalsContact O-N 3.12Å; P407-L431 HydrophobicContact CB-CB 4.39Å; P407-L431 HydrophobicContact CB-CD2 3.75Å
408L89.8Confident74.4Confident3 Ų384.8 Ų84.82%0.01647%0.474CS..Hα-helixtrans-67.2-43.5172.3-17867.3000112.6N406 F411 L412 L421 L424 I429 L431 L434N406-L408 PolarHBondContact O-N 2.77Å; N406-L408 WeakPolarHBondContact OD1-CB 3.43Å; N406-L408 PolarHBondContact OD1-N 3.33Å; L408-F411 PolarHBondContact O-N 2.98Å; L408-L412 HydrophobicContact CD1-CD1 3.98Å; L408-L412 HydrophobicContact CD1-CG 4.23Å; L408-L412 HydrophobicContact CG-CD1 3.84Å; L408-L412 HydrophobicContact CG-CG 4.43Å; L408-L412 WeakPolarHBondContact O-CB 3.49Å; L408-L412 WeakPolarHBondContact O-CG 3.4Å; L408-L412 PolarHBondContact O-N 2.95Å; L408-L421 HydrophobicContact CD2-CD1 4.25Å; L408-L421 HydrophobicContact CG-CD1 4.28Å; L408-L424 HydrophobicContact CD1-CD1 4.37Å; L408-L424 HydrophobicContact CD2-CB 4.19Å; L408-I429 WeakPolarHBondContact CD2-O 3.29Å; L408-L431 HydrophobicContact CB-CB 4.39Å; L408-L434 HydrophobicContact CD1-CB 4.46Å; L408-L434 HydrophobicContact CD1-CD2 3.66Å
409E90.5Very high76.7Confident96 Ų9685.1 Ų85.145%0.44947%0.471SS..Hα-helixtrans-67.3-46-179.1-176.2167.8-174.900111.5N406 F411 L412 A413 L421N406-E409 HydrophobicContact CB-CB 4.06Å; N406-E409 WeakPolarHBondContact O-CA 3.44Å; N406-E409 WeakPolarHBondContact O-CB 3.48Å; N406-E409 PolarHBondContact O-N 3.12Å; E409-F411 VanDerWaalsContact C-N 3.34Å; E409-F411 PolarHBondContact O-N 3.41Å; E409-L412 PolarHBondContact O-N 3.32Å; E409-A413 VanDerWaalsContact O-CB 3.23Å; E409-A413 WeakPolarHBondContact O-CB 3.27Å; E409-A413 PolarHBondContact O-N 2.93Å; E409-L421 HydrophobicContact CB-CD1 3.86Å; E409-L421 HydrophobicContact CB-CD2 4.31Å; E409-L421 HydrophobicContact CG-CD1 4.31Å; E409-L421 HydrophobicContact CG-CD2 3.95Å
410T90.6Very high78.9Confident71 Ų7177.5 Ų77.544%0.43644%0.436SS..Hα-helixtrans-63.1-41176.558.70000111.5N405 N406 P407 A413 S414N405-T410 HydrophobicContact CB-CG2 4.44Å; N406-T410 PolarHBondContact O-N 3.18Å; N406-T410 VanDerWaalsContact O-N 3.12Å; P407-T410 PolarHBondContact O-OG1 2.93Å; T410-A413 PolarHBondContact O-N 2.99Å; T410-S414 PolarHBondContact O-N 3.17Å
411F91.9Very high80.9Confident14 Ų1471.6 Ų71.66%0.06140%0.404CS..Hα-helixtrans-62-50.2173.8177.6-109.1000112.4P407 L408 E409 A413 S414 Q415 L431 L434 A458 R462P407-F411 WeakPolarHBondContact O-CB 3.4Å; P407-F411 PolarHBondContact O-N 3.44Å; P407-F411 VanDerWaalsContact O-N 3.12Å; L408-F411 PolarHBondContact O-N 2.98Å; E409-F411 VanDerWaalsContact C-N 3.34Å; E409-F411 PolarHBondContact O-N 3.41Å; F411-A413 VanDerWaalsContact C-N 3.34Å; F411-A413 PolarHBondContact O-N 3.18Å; F411-S414 PolarHBondContact O-N 3.3Å; F411-S414 PolarHBondContact O-OG 3.08Å; F411-Q415 PolarHBondContact O-N 2.88Å; F411-L431 HydrophobicContact CB-CD1 3.8Å; F411-L431 HydrophobicContact CD1-CD1 3.49Å; F411-L431 VanDerWaalsContact CD1-CD1 3.49Å; F411-L431 HydrophobicContact CD2-CD1 4.32Å; F411-L431 HydrophobicContact CE1-CD1 4.09Å; F411-L431 HydrophobicContact CG-CD1 3.61Å; F411-L434 HydrophobicContact CD1-CD2 4.29Å; F411-L434 HydrophobicContact CE1-CD2 4.07Å; F411-A458 HydrophobicContact CE2-CB 4.32Å; F411-A458 HydrophobicContact CZ-CB 3.79Å; F411-R462 HydrophobicContact CE2-CB 4.26Å
412L92.1Very high82.9Confident0 Ų068 Ų680%039%0.393CS..Hα-helixtrans-64.8-37.2179-69.4171.1000112.2L408 E409 Q415 G416 L417 L421 L424 L434 M455L408-L412 HydrophobicContact CD1-CD1 3.98Å; L408-L412 HydrophobicContact CD1-CG 4.23Å; L408-L412 HydrophobicContact CG-CD1 3.84Å; L408-L412 HydrophobicContact CG-CG 4.43Å; L408-L412 WeakPolarHBondContact O-CB 3.49Å; L408-L412 WeakPolarHBondContact O-CG 3.4Å; L408-L412 PolarHBondContact O-N 2.95Å; E409-L412 PolarHBondContact O-N 3.32Å; L412-Q415 PolarHBondContact O-N 2.7Å; L412-G416 PolarHBondContact O-N 2.94Å; L412-G416 VanDerWaalsContact O-N 3.12Å; L412-L417 HydrophobicContact CD2-CB 4.09Å; L412-L417 PolarHBondContact O-N 3.19Å; L412-L421 HydrophobicContact CD1-CB 4.19Å; L412-L421 HydrophobicContact CD1-CD1 3.92Å; L412-L424 HydrophobicContact CD1-CD1 3.74Å; L412-L424 HydrophobicContact CD2-CD1 4.29Å; L412-L434 HydrophobicContact CD2-CD2 4.48Å; L412-M455 HydrophobicContact CD2-CE 4.04Å
413A91Very high85Confident57 Ų5763.6 Ų63.647%0.47137%0.373SS..Hα-helixtrans-62-45.4173.400000111.4E409 T410 F411 Q415 G416E409-A413 VanDerWaalsContact O-CB 3.23Å; E409-A413 WeakPolarHBondContact O-CB 3.27Å; E409-A413 PolarHBondContact O-N 2.93Å; T410-A413 PolarHBondContact O-N 2.99Å; F411-A413 VanDerWaalsContact C-N 3.34Å; F411-A413 PolarHBondContact O-N 3.18Å; A413-Q415 PolarHBondContact O-N 2.88Å; A413-G416 PolarHBondContact O-N 3.09Å
414S90.8Very high86.9Confident79 Ų7959.5 Ų59.555%0.55235%0.345SS*.Hα-helixtrans-57.5-33.6177.481.20000113.1T410 F411T410-S414 PolarHBondContact O-N 3.17Å; F411-S414 PolarHBondContact O-N 3.3Å; F411-S414 PolarHBondContact O-OG 3.08Å
415Q91.3Very high88.6Confident47 Ų4753.9 Ų53.922%0.2233%0.325CS..THydrogen-bonded Turntrans-90.3-3.5178.5-57.5-53.6-61.700112.9F411 L412 A413 L417 K454 A458F411-Q415 PolarHBondContact O-N 2.88Å; L412-Q415 PolarHBondContact O-N 2.7Å; A413-Q415 PolarHBondContact O-N 2.88Å; Q415-L417 HydrophobicContact CB-CB 4.49Å; Q415-L417 HydrophobicContact CB-CD1 3.84Å; Q415-L417 HydrophobicContact CB-CG 4.26Å; Q415-K454 WeakPolarHBondContact O-CE 3.31Å; Q415-K454 PolarHBondContact O-NZ 3.5Å; Q415-A458 HydrophobicContact CG-CB 3.6Å
416G90.7Very high90Very high50 Ų5058 Ų5852%0.51533%0.333SS..THydrogen-bonded Turntrans61.450.5-173.100000112.1L412 A413L412-G416 PolarHBondContact O-N 2.94Å; L412-G416 VanDerWaalsContact O-N 3.12Å; A413-G416 PolarHBondContact O-N 3.09Å
417L91.1Very high90.3Very high5 Ų559.2 Ų59.23%0.02634%0.336CS..  trans-134.720.2-176.6-73.7170.4000112.2L412 Q415 E419 F420 P451 K454 M455L412-L417 HydrophobicContact CD2-CB 4.09Å; L412-L417 PolarHBondContact O-N 3.19Å; Q415-L417 HydrophobicContact CB-CB 4.49Å; Q415-L417 HydrophobicContact CB-CD1 3.84Å; Q415-L417 HydrophobicContact CB-CG 4.26Å; L417-E419 PolarHBondContact O-N 3.07Å; L417-E419 VanDerWaalsContact O-N 3.12Å; L417-F420 HydrophobicContact CB-CD2 4.33Å; L417-F420 HydrophobicContact CD2-CD2 3.92Å; L417-F420 HydrophobicContact CD2-CE2 3.81Å; L417-F420 PolarHBondContact O-N 2.6Å; L417-F420 VanDerWaalsContact O-N 3.13Å; L417-P451 HydrophobicContact CD2-CB 3.86Å; L417-K454 HydrophobicContact CD1-CB 4.33Å; L417-K454 HydrophobicContact CD1-CD 4.08Å; L417-K454 HydrophobicContact CD1-CG 4.02Å; L417-K454 HydrophobicContact CD2-CD 4.23Å; L417-K454 HydrophobicContact CG-CD 4.25Å; L417-M455 HydrophobicContact CD1-CG 3.57Å
418S90.3Very high90.3Very high74 Ų7464.4 Ų64.452%0.51735%0.351SS..G310 helixtrans-59.6-21.2-179.749.90000114.1F420 L421S418-F420 PolarHBondContact O-N 2.98Å; S418-L421 VanDerWaalsContact O-CB 3.25Å; S418-L421 WeakPolarHBondContact O-CB 3.34Å; S418-L421 PolarHBondContact O-N 3.32Å; S418-L421 VanDerWaalsContact O-N 3.15Å
419E90.3Very high90.2Very high133 Ų13365.4 Ų65.462%0.62136%0.356SS*.G310 helixtrans-61.5-21.3174.568-175169.300114L417L417-E419 PolarHBondContact O-N 3.07Å; L417-E419 VanDerWaalsContact O-N 3.12Å
420F90.1Very high90.3Very high14 Ų1464.8 Ų64.86%0.06136%0.356CS..G310 helixtrans-90.9-9.9177.9-60.8-73.7000114L417 S418 I423 L424 I447 P448 P451L417-F420 HydrophobicContact CB-CD2 4.33Å; L417-F420 HydrophobicContact CD2-CD2 3.92Å; L417-F420 HydrophobicContact CD2-CE2 3.81Å; L417-F420 PolarHBondContact O-N 2.6Å; L417-F420 VanDerWaalsContact O-N 3.13Å; S418-F420 PolarHBondContact O-N 2.98Å; F420-I423 HydrophobicContact CD1-CD1 4.17Å; F420-I423 PolarHBondContact O-N 3.28Å; F420-I423 VanDerWaalsContact O-N 3.12Å; F420-L424 HydrophobicContact CB-CD1 4.42Å; F420-L424 WeakPolarHBondContact O-CG 3.19Å; F420-L424 PolarHBondContact O-N 2.91Å; F420-L424 VanDerWaalsContact O-N 3.08Å; F420-I447 HydrophobicContact CD1-CG1 4.19Å; F420-I447 HydrophobicContact CD1-CG2 4.07Å; F420-I447 HydrophobicContact CE1-CG2 4Å; F420-I447 HydrophobicContact CZ-CG2 4.49Å; F420-P448 HydrophobicContact CE1-CG 4.36Å; F420-P448 HydrophobicContact CZ-CG 4.23Å; F420-P451 HydrophobicContact CD2-CB 4.27Å; F420-P451 HydrophobicContact CE1-CB 4.46Å; F420-P451 HydrophobicContact CE2-CB 3.39Å; F420-P451 HydrophobicContact CE2-CG 3.79Å; F420-P451 HydrophobicContact CZ-CB 3.53Å; F420-P451 HydrophobicContact CZ-CG 3.68Å
421L90Very high90.3Very high30 Ų3062.2 Ų62.216%0.15734%0.339CS..Hα-helixtrans-48.7-54176.9-173.777.6000113.1L408 E409 L412 S418 I423 L424 S425L408-L421 HydrophobicContact CD2-CD1 4.25Å; L408-L421 HydrophobicContact CG-CD1 4.28Å; E409-L421 HydrophobicContact CB-CD1 3.86Å; E409-L421 HydrophobicContact CB-CD2 4.31Å; E409-L421 HydrophobicContact CG-CD1 4.31Å; E409-L421 HydrophobicContact CG-CD2 3.95Å; L412-L421 HydrophobicContact CD1-CB 4.19Å; L412-L421 HydrophobicContact CD1-CD1 3.92Å; S418-L421 VanDerWaalsContact O-CB 3.25Å; S418-L421 WeakPolarHBondContact O-CB 3.34Å; S418-L421 PolarHBondContact O-N 3.32Å; S418-L421 VanDerWaalsContact O-N 3.15Å; L421-I423 PolarHBondContact O-N 2.92Å; L421-L424 PolarHBondContact O-N 3.33Å; L421-S425 WeakPolarHBondContact O-CB 3.23Å; L421-S425 PolarHBondContact O-N 3.01Å; L421-S425 PolarHBondContact O-OG 3.39Å
422P89.4Confident90.2Very high86 Ų8668.7 Ų68.756%0.55837%0.37SS*.Hα-helixtrans-65.9-24.2-176.926.9-36.6000113.6R426P422-R426 VanDerWaalsContact O-CB 3.32Å; P422-R426 WeakPolarHBondContact O-CB 3.42Å; P422-R426 PolarHBondContact O-N 3.02Å; P422-R426 VanDerWaalsContact O-N 3.13Å
423I90.2Very high90.1Very high62 Ų6270.6 Ų70.632%0.31839%0.385SS..Hα-helixtrans-74.8-46.8177.4-58.2177.8000109.3F420 L421 R426 E427 I445F420-I423 HydrophobicContact CD1-CD1 4.17Å; F420-I423 PolarHBondContact O-N 3.28Å; F420-I423 VanDerWaalsContact O-N 3.12Å; L421-I423 PolarHBondContact O-N 2.92Å; I423-R426 WeakPolarHBondContact O-CB 3.49Å; I423-R426 PolarHBondContact O-N 2.82Å; I423-E427 PolarHBondContact O-N 3.45Å; I423-I445 HydrophobicContact CG2-CG2 3.39Å
424L89.4Confident90.1Very high0 Ų067.9 Ų67.90%036%0.363CS..Hα-helixtrans-65.7-41.6176.9-63.3166000111.6L408 L412 F420 L421 R426 E427 K428 I429 L434 I447 M455L408-L424 HydrophobicContact CD1-CD1 4.37Å; L408-L424 HydrophobicContact CD2-CB 4.19Å; L412-L424 HydrophobicContact CD1-CD1 3.74Å; L412-L424 HydrophobicContact CD2-CD1 4.29Å; F420-L424 HydrophobicContact CB-CD1 4.42Å; F420-L424 WeakPolarHBondContact O-CG 3.19Å; F420-L424 PolarHBondContact O-N 2.91Å; F420-L424 VanDerWaalsContact O-N 3.08Å; L421-L424 PolarHBondContact O-N 3.33Å; L424-R426 VanDerWaalsContact C-N 3.31Å; L424-R426 PolarHBondContact O-N 3.34Å; L424-E427 CarbonylContact O-C 3.57Å; L424-E427 PolarHBondContact O-N 3.16Å; L424-K428 PolarHBondContact O-N 3.5Å; L424-I429 HydrophobicContact CB-CB 4.33Å; L424-I429 HydrophobicContact CD2-CB 4.17Å; L424-I429 HydrophobicContact CD2-CD1 3.93Å; L424-I429 HydrophobicContact CD2-CG2 4.11Å; L424-I429 PolarHBondContact O-N 3.02Å; L424-L434 HydrophobicContact CD2-CD1 4.44Å; L424-I447 HydrophobicContact CD2-CD1 4.31Å; L424-M455 HydrophobicContact CD1-CE 3.74Å; L424-M455 HydrophobicContact CD2-CE 4.43Å
425S88.6Confident90.1Very high62 Ų6266.3 Ų66.343%0.43435%0.348SS..Hα-helixtrans-62.4-35.1174.7-56.40000112.9L421 K428L421-S425 WeakPolarHBondContact O-CB 3.23Å; L421-S425 PolarHBondContact O-N 3.01Å; L421-S425 PolarHBondContact O-OG 3.39Å; S425-K428 PolarHBondContact O-N 2.95Å
426R90.3Very high90.1Very high193 Ų19371.5 Ų71.573%0.72838%0.377SS*.Hα-helixtrans-65.8-41.1176.2178.3179.4179.9-966112.2P422 I423 L424 K428P422-R426 VanDerWaalsContact O-CB 3.32Å; P422-R426 WeakPolarHBondContact O-CB 3.42Å; P422-R426 PolarHBondContact O-N 3.02Å; P422-R426 VanDerWaalsContact O-N 3.13Å; I423-R426 WeakPolarHBondContact O-CB 3.49Å; I423-R426 PolarHBondContact O-N 2.82Å; L424-R426 VanDerWaalsContact C-N 3.31Å; L424-R426 PolarHBondContact O-N 3.34Å; R426-K428 PolarHBondContact O-N 2.82Å
427E88.9Confident90.1Very high90 Ų9070.2 Ų70.242%0.42136%0.36SS..THydrogen-bonded Turntrans-83.92.7175.8-55.9-51.8137.900113.1I423 L424 I429 I445I423-E427 PolarHBondContact O-N 3.45Å; L424-E427 CarbonylContact O-C 3.57Å; L424-E427 PolarHBondContact O-N 3.16Å; E427-I429 VanDerWaalsContact C-N 3.3Å; E427-I429 HydrophobicContact CB-CD1 3.99Å; E427-I429 HydrophobicContact CB-CG1 4.18Å; E427-I429 PolarHBondContact O-N 3.23Å; E427-I445 HydrophobicContact CG-CG1 4.44Å; E427-I445 HydrophobicContact CG-CG2 4.16Å
428K88.3Confident90Very high187 Ų18772.5 Ų72.581%0.81338%0.376SS*.THydrogen-bonded Turntrans56.837.2-178.4-55.4-176.8177.7-1750114.3L424 S425 R426L424-K428 PolarHBondContact O-N 3.5Å; S425-K428 PolarHBondContact O-N 2.95Å; R426-K428 PolarHBondContact O-N 2.82Å
429I89.6Confident90Very high23 Ų2372 Ų7212%0.11837%0.368CS..  trans-86.2118.6174.3-62.7167.3000107.9L408 L424 E427 A433 L434 I445L408-I429 WeakPolarHBondContact CD2-O 3.29Å; L424-I429 HydrophobicContact CB-CB 4.33Å; L424-I429 HydrophobicContact CD2-CB 4.17Å; L424-I429 HydrophobicContact CD2-CD1 3.93Å; L424-I429 HydrophobicContact CD2-CG2 4.11Å; L424-I429 PolarHBondContact O-N 3.02Å; E427-I429 VanDerWaalsContact C-N 3.3Å; E427-I429 HydrophobicContact CB-CD1 3.99Å; E427-I429 HydrophobicContact CB-CG1 4.18Å; E427-I429 PolarHBondContact O-N 3.23Å; I429-A433 HydrophobicContact CG2-CB 4.08Å; I429-L434 HydrophobicContact CG2-CB 3.98Å; I429-I445 HydrophobicContact CD1-CD1 3.35Å; I429-I445 HydrophobicContact CD1-CG1 4.46Å
430D91.3Very high90Very high84 Ų8472 Ų7245%0.44937%0.368SS..  trans-91.4-176171.259.322.6000111.3E432 A433 L434D430-E432 VanDerWaalsContact C-N 3.33Å; D430-E432 PolarHBondContact O-N 2.85Å; D430-E432 PolarHBondContact OD1-N 2.83Å; D430-A433 WeakPolarHBondContact OD1-CB 3.4Å; D430-A433 PolarHBondContact OD1-N 3.48Å; D430-L434 VanDerWaalsContact O-CB 3.27Å; D430-L434 WeakPolarHBondContact O-CB 3.22Å; D430-L434 PolarHBondContact O-N 2.98Å
431L90.4Very high90Very high16 Ų1674.7 Ų74.78%0.08438%0.382CS..Hα-helixtrans-66.1-34.6-178.9-17762.2000112.4P407 L408 F411 L434 L435P407-L431 HydrophobicContact CB-CB 4.39Å; P407-L431 HydrophobicContact CB-CD2 3.75Å; L408-L431 HydrophobicContact CB-CB 4.39Å; F411-L431 HydrophobicContact CB-CD1 3.8Å; F411-L431 HydrophobicContact CD1-CD1 3.49Å; F411-L431 VanDerWaalsContact CD1-CD1 3.49Å; F411-L431 HydrophobicContact CD2-CD1 4.32Å; F411-L431 HydrophobicContact CE1-CD1 4.09Å; F411-L431 HydrophobicContact CG-CD1 3.61Å; L431-L434 PolarHBondContact O-N 2.87Å; L431-L435 VanDerWaalsContact O-CG 3.31Å; L431-L435 WeakPolarHBondContact O-CG 3.44Å; L431-L435 PolarHBondContact O-N 3.36Å; L431-L435 VanDerWaalsContact O-N 3.09Å
432E90.2Very high90Very high151 Ų15173.3 Ų73.371%0.70638%0.375SS*.Hα-helixtrans-73.3-45.4-178.9-64-171.818000111.2D430 L434 L435 L436D430-E432 VanDerWaalsContact C-N 3.33Å; D430-E432 PolarHBondContact O-N 2.85Å; D430-E432 PolarHBondContact OD1-N 2.83Å; E432-L434 VanDerWaalsContact C-N 3.27Å; E432-L434 PolarHBondContact O-N 3.26Å; E432-L435 PolarHBondContact O-N 3.13Å; E432-L436 PolarHBondContact O-N 2.86Å
433A90.6Very high89.9Confident39 Ų3970.8 Ų70.832%0.32236%0.36SS..Hα-helixtrans-60.4-37.6171.600000111.5I429 D430 L435 L436 C437I429-A433 HydrophobicContact CG2-CB 4.08Å; D430-A433 WeakPolarHBondContact OD1-CB 3.4Å; D430-A433 PolarHBondContact OD1-N 3.48Å; A433-L435 PolarHBondContact O-N 3.07Å; A433-L436 PolarHBondContact O-N 3.43Å; A433-C437 PolarHBondContact O-N 3.43Å; A433-C437 VanDerWaalsContact O-N 3.11Å; A433-C437 PolarHBondContact O-SG 3.49Å
434L91.1Very high89.8Confident1 Ų171.5 Ų71.51%0.00537%0.37CS..Hα-helixtrans-65.4-36.9176.6-177.262.4000112.7L408 F411 L412 L424 I429 D430 L431 E432 L436 C437 L442 M455L408-L434 HydrophobicContact CD1-CB 4.46Å; L408-L434 HydrophobicContact CD1-CD2 3.66Å; F411-L434 HydrophobicContact CD1-CD2 4.29Å; F411-L434 HydrophobicContact CE1-CD2 4.07Å; L412-L434 HydrophobicContact CD2-CD2 4.48Å; L424-L434 HydrophobicContact CD2-CD1 4.44Å; I429-L434 HydrophobicContact CG2-CB 3.98Å; D430-L434 VanDerWaalsContact O-CB 3.27Å; D430-L434 WeakPolarHBondContact O-CB 3.22Å; D430-L434 PolarHBondContact O-N 2.98Å; L431-L434 PolarHBondContact O-N 2.87Å; E432-L434 VanDerWaalsContact C-N 3.27Å; E432-L434 PolarHBondContact O-N 3.26Å; L434-L436 PolarHBondContact O-N 2.85Å; L434-C437 WeakPolarHBondContact O-CB 3.45Å; L434-C437 PolarHBondContact O-N 2.99Å; L434-L442 HydrophobicContact CD1-CD2 3.82Å; L434-M455 HydrophobicContact CD1-CE 3.69Å; L434-M455 HydrophobicContact CD2-CE 3.94Å; L434-M455 HydrophobicContact CG-CE 4.47Å
435L91.3Very high89.7Confident45 Ų4572.7 Ų72.724%0.23638%0.376CS..Hα-helixtrans-65.3-24.4174.8-72.4167.3000112.7L431 E432 A433 C459 R462L431-L435 VanDerWaalsContact O-CG 3.31Å; L431-L435 WeakPolarHBondContact O-CG 3.44Å; L431-L435 PolarHBondContact O-N 3.36Å; L431-L435 VanDerWaalsContact O-N 3.09Å; E432-L435 PolarHBondContact O-N 3.13Å; A433-L435 PolarHBondContact O-N 3.07Å; L435-C459 HydrophobicContact CD2-CB 3.82Å; L435-R462 HydrophobicContact CD2-CB 4.42Å
436L90.6Very high89.6Confident156 Ų15678 Ų7882%0.81739%0.394SS*.Hα-helixtrans-93.7-10.4177.7-63.7173.7000114.1E432 A433 L434E432-L436 PolarHBondContact O-N 2.86Å; A433-L436 PolarHBondContact O-N 3.43Å; L434-L436 PolarHBondContact O-N 2.85Å
437C89.5Confident89.5Confident24 Ų2469 Ų6916%0.16236%0.36CS..  trans-67.2134.8-177.7-78.70000112.9A433 L434 D441 L442 L456A433-C437 PolarHBondContact O-N 3.43Å; A433-C437 VanDerWaalsContact O-N 3.11Å; A433-C437 PolarHBondContact O-SG 3.49Å; L434-C437 WeakPolarHBondContact O-CB 3.45Å; L434-C437 PolarHBondContact O-N 2.99Å; C437-D441 HydrophobicContact CB-CB 4.45Å; C437-L442 HydrophobicContact CB-CD2 4.05Å; C437-L442 HydrophobicContact CB-CG 4.14Å; C437-L456 WeakPolarHBondContact O-CD2 3.47Å
438S90.5Very high89.5Confident53 Ų5368 Ų6837%0.37136%0.361SS..  trans-83.9167169.577.10000112.3Q440 D441 L442S438-Q440 PolarHBondContact O-N 2.87Å; S438-Q440 PolarHBondContact OG-N 3.05Å; S438-D441 WeakPolarHBondContact CA-OD2 3.13Å; S438-D441 VanDerWaalsContact CB-OD2 3.23Å; S438-D441 WeakPolarHBondContact CB-OD2 3.48Å; S438-D441 PolarHBondContact N-OD2 3.37Å; S438-D441 PolarHBondContact O-N 3.38Å; S438-D441 VanDerWaalsContact O-N 3.15Å; S438-D441 VanDerWaalsContact OG-CG 3.24Å; S438-D441 PolarHBondContact OG-N 2.95Å; S438-D441 PolarHBondContact OG-OD2 2.82Å; S438-L442 PolarHBondContact O-N 2.85Å
439D90.7Very high89.5Confident63 Ų6363.6 Ų63.634%0.33735%0.346SS..Hα-helixtrans-58.7-27.9171.9-168.468.2000112.4S443 R452 L456D439-S443 WeakPolarHBondContact O-CB 3.26Å; D439-S443 PolarHBondContact O-N 2.97Å; D439-S443 VanDerWaalsContact O-N 3.14Å; D439-R452 VanDerWaalsContact CG-NE 3.32Å; D439-R452 IonicContact OD1-CZ 3.49Å; D439-R452 IonicContact OD1-NE 3.49Å; D439-R452 PolarHBondContact OD1-NE 3.18Å; D439-R452 IonicContact OD1-NH2 3.42Å; D439-R452 PolarHBondContact OD1-NH2 3.28Å; D439-R452 IonicContact OD2-CZ 3.46Å; D439-R452 IonicContact OD2-NE 3.76Å; D439-R452 PolarHBondContact OD2-NE 3.47Å; D439-R452 IonicContact OD2-NH2 2.7Å; D439-R452 PolarHBondContact OD2-NH2 3.39Å; D439-L456 HydrophobicContact CB-CD1 3.77Å; D439-L456 WeakPolarHBondContact OD1-CD1 3.44Å
440Q89.3Confident89.5Confident134 Ų13464.9 Ų64.963%0.62637%0.365SS*.Hα-helixtrans-72.6-40.8177-173.756.950.500111.5S438 S443 S444S438-Q440 PolarHBondContact O-N 2.87Å; S438-Q440 PolarHBondContact OG-N 3.05Å; Q440-S443 PolarHBondContact NE2-OG 3.07Å; Q440-S443 WeakPolarHBondContact O-CB 3.44Å; Q440-S443 PolarHBondContact O-N 3.05Å; Q440-S443 PolarHBondContact O-OG 2.8Å; Q440-S444 PolarHBondContact O-N 2.63Å
441D90.3Very high89.6Confident69 Ų6962.4 Ų62.437%0.36935%0.354SS..Hα-helixtrans-66-50-179.3-54.1-50.5000110.4C437 S438 S443 S444 I445C437-D441 HydrophobicContact CB-CB 4.45Å; S438-D441 WeakPolarHBondContact CA-OD2 3.13Å; S438-D441 VanDerWaalsContact CB-OD2 3.23Å; S438-D441 WeakPolarHBondContact CB-OD2 3.48Å; S438-D441 PolarHBondContact N-OD2 3.37Å; S438-D441 PolarHBondContact O-N 3.38Å; S438-D441 VanDerWaalsContact O-N 3.15Å; S438-D441 VanDerWaalsContact OG-CG 3.24Å; S438-D441 PolarHBondContact OG-N 2.95Å; S438-D441 PolarHBondContact OG-OD2 2.82Å; D441-S443 PolarHBondContact O-N 2.94Å; D441-S444 WeakPolarHBondContact O-CB 3.3Å; D441-S444 PolarHBondContact O-N 3.26Å; D441-S444 PolarHBondContact O-OG 2.94Å; D441-I445 WeakPolarHBondContact O-CD1 3.33Å; D441-I445 WeakPolarHBondContact O-CG1 3.46Å; D441-I445 PolarHBondContact O-N 3.35Å
442L88.9Confident89.6Confident1 Ų163.4 Ų63.41%0.00536%0.357CS..Hα-helixtrans-62.3-26.9174.7-59.3178.7000112.8L434 C437 S438 I447 R452 M455 L456L434-L442 HydrophobicContact CD1-CD2 3.82Å; C437-L442 HydrophobicContact CB-CD2 4.05Å; C437-L442 HydrophobicContact CB-CG 4.14Å; S438-L442 PolarHBondContact O-N 2.85Å; L442-I447 HydrophobicContact CB-CD1 4.41Å; L442-I447 HydrophobicContact CD2-CD1 4.03Å; L442-I447 WeakPolarHBondContact O-CB 3.29Å; L442-I447 PolarHBondContact O-N 3.23Å; L442-R452 HydrophobicContact CB-CG 3.61Å; L442-R452 HydrophobicContact CD1-CG 3.95Å; L442-R452 HydrophobicContact CG-CG 4.45Å; L442-M455 HydrophobicContact CD1-CB 4.45Å; L442-L456 HydrophobicContact CD1-CD1 4.46Å; L442-L456 HydrophobicContact CD1-CD2 3.77Å; L442-L456 HydrophobicContact CD1-CG 3.86Å
443S89Confident89.8Confident34 Ų3461.8 Ų61.824%0.23835%0.347CS..Hα-helixtrans-70.9-35172.485.60000113D439 Q440 D441 I445 H446 R452D439-S443 WeakPolarHBondContact O-CB 3.26Å; D439-S443 PolarHBondContact O-N 2.97Å; D439-S443 VanDerWaalsContact O-N 3.14Å; Q440-S443 PolarHBondContact NE2-OG 3.07Å; Q440-S443 WeakPolarHBondContact O-CB 3.44Å; Q440-S443 PolarHBondContact O-N 3.05Å; Q440-S443 PolarHBondContact O-OG 2.8Å; D441-S443 PolarHBondContact O-N 2.94Å; S443-I445 VanDerWaalsContact C-N 3.26Å; S443-I445 PolarHBondContact O-N 3.32Å; S443-H446 PolarHBondContact O-N 3.07Å; S443-R452 VanDerWaalsContact CB-NH1 3.29Å
444S88Confident89.9Confident77 Ų7764.4 Ų64.454%0.53835%0.351SS..Hα-helixtrans-68.1-28.4178.477.50000112.5Q440 D441 H446Q440-S444 PolarHBondContact O-N 2.63Å; D441-S444 WeakPolarHBondContact O-CB 3.3Å; D441-S444 PolarHBondContact O-N 3.26Å; D441-S444 PolarHBondContact O-OG 2.94Å; S444-H446 PolarHBondContact O-N 3.15Å
445I87.1Confident90Very high24 Ų2464.4 Ų64.412%0.12335%0.351CS..THydrogen-bonded Turntrans-8411.1177.8-56.8154.3000111.4I423 E427 I429 D441 S443 I447I423-I445 HydrophobicContact CG2-CG2 3.39Å; E427-I445 HydrophobicContact CG-CG1 4.44Å; E427-I445 HydrophobicContact CG-CG2 4.16Å; I429-I445 HydrophobicContact CD1-CD1 3.35Å; I429-I445 HydrophobicContact CD1-CG1 4.46Å; D441-I445 WeakPolarHBondContact O-CD1 3.33Å; D441-I445 WeakPolarHBondContact O-CG1 3.46Å; D441-I445 PolarHBondContact O-N 3.35Å; S443-I445 VanDerWaalsContact C-N 3.26Å; S443-I445 PolarHBondContact O-N 3.32Å; I445-I447 VanDerWaalsContact C-N 3.27Å; I445-I447 HydrophobicContact CG2-CD1 4.41Å; I445-I447 HydrophobicContact CG2-CG1 4.33Å; I445-I447 PolarHBondContact O-N 2.94Å
446H85.4Confident90.1Very high173 Ų17363.5 Ų63.580%0.80135%0.346SS*.THydrogen-bonded Turntrans60.224.4-180-62.8-67.9000115.7S443 S444S443-H446 PolarHBondContact O-N 3.07Å; S444-H446 PolarHBondContact O-N 3.15Å
447I88.4Confident90.3Very high4 Ų459.5 Ų59.52%0.02133%0.326CS..  trans-74.3126174.7-57.1178.3000109.6F420 L424 L442 I445 P451 R452 M455F420-I447 HydrophobicContact CD1-CG1 4.19Å; F420-I447 HydrophobicContact CD1-CG2 4.07Å; F420-I447 HydrophobicContact CE1-CG2 4Å; F420-I447 HydrophobicContact CZ-CG2 4.49Å; L424-I447 HydrophobicContact CD2-CD1 4.31Å; L442-I447 HydrophobicContact CB-CD1 4.41Å; L442-I447 HydrophobicContact CD2-CD1 4.03Å; L442-I447 WeakPolarHBondContact O-CB 3.29Å; L442-I447 PolarHBondContact O-N 3.23Å; I445-I447 VanDerWaalsContact C-N 3.27Å; I445-I447 HydrophobicContact CG2-CD1 4.41Å; I445-I447 HydrophobicContact CG2-CG1 4.33Å; I445-I447 PolarHBondContact O-N 2.94Å; I447-P451 HydrophobicContact CG2-CB 4.24Å; I447-R452 HydrophobicContact CG2-CB 4.03Å; I447-M455 HydrophobicContact CD1-CE 4.3Å; I447-M455 HydrophobicContact CD1-SD 4.02Å; I447-M455 HydrophobicContact CG2-SD 4.16Å
448P89.3Confident90.5Very high69 Ų6958.5 Ų58.545%0.44832%0.32SS..  trans-67.4150.4-177.925.9-32.8000112.3F420 G450 P451 R452F420-P448 HydrophobicContact CE1-CG 4.36Å; F420-P448 HydrophobicContact CZ-CG 4.23Å; P448-G450 VanDerWaalsContact C-N 3.27Å; P448-G450 PolarHBondContact O-N 3.1Å; P448-P451 HydrophobicContact CG-CG 4.01Å; P448-P451 WeakPolarHBondContact O-CD 3.39Å; P448-R452 VanDerWaalsContact O-CB 3.29Å; P448-R452 WeakPolarHBondContact O-CB 3.31Å; P448-R452 PolarHBondContact O-N 2.87Å
449L88.2Confident90.6Very high95 Ų9556.5 Ų56.550%0.49731%0.305SS..Hα-helixtrans-52.8-35.9-168.9-175.465.5000115K453L449-K453 WeakPolarHBondContact O-CG 3.45Å; L449-K453 PolarHBondContact O-N 3.44Å; L449-K453 VanDerWaalsContact O-N 3.14Å
450G90.4Very high90.7Very high50 Ų5059 Ų5952%0.51531%0.313SS..Hα-helixtrans-66.7-65.3-179.900000112.3P448 R452 K453 K454P448-G450 VanDerWaalsContact C-N 3.27Å; P448-G450 PolarHBondContact O-N 3.1Å; G450-R452 VanDerWaalsContact C-N 3.25Å; G450-R452 PolarHBondContact O-N 3.29Å; G450-K453 PolarHBondContact O-N 3.43Å; G450-K454 PolarHBondContact O-N 3.37Å; G450-K454 VanDerWaalsContact O-N 3.12Å
451P92Very high90.8Very high32 Ų3259.5 Ų59.521%0.20831%0.309CS..Hα-helixtrans-51.3-41.3171.7-3339.9000113.8L417 F420 I447 P448 K453 K454 M455L417-P451 HydrophobicContact CD2-CB 3.86Å; F420-P451 HydrophobicContact CD2-CB 4.27Å; F420-P451 HydrophobicContact CE1-CB 4.46Å; F420-P451 HydrophobicContact CE2-CB 3.39Å; F420-P451 HydrophobicContact CE2-CG 3.79Å; F420-P451 HydrophobicContact CZ-CB 3.53Å; F420-P451 HydrophobicContact CZ-CG 3.68Å; I447-P451 HydrophobicContact CG2-CB 4.24Å; P448-P451 HydrophobicContact CG-CG 4.01Å; P448-P451 WeakPolarHBondContact O-CD 3.39Å; P451-K453 PolarHBondContact O-N 2.95Å; P451-K454 CarbonylContact O-C 3.52Å; P451-K454 WeakPolarHBondContact O-CB 3.37Å; P451-K454 PolarHBondContact O-N 3.36Å; P451-K454 VanDerWaalsContact O-N 3.16Å; P451-M455 VanDerWaalsContact O-CG 3.31Å; P451-M455 WeakPolarHBondContact O-CG 3.41Å; P451-M455 PolarHBondContact O-N 3.23Å
452R91.4Very high90.8Very high38 Ų3861.2 Ų61.214%0.14331%0.31CS..Hα-helixtrans-55.8-49.9177.5-169.9171.281.4-16023.4113.1D439 L442 S443 I447 P448 G450 M455 L456D439-R452 VanDerWaalsContact CG-NE 3.32Å; D439-R452 IonicContact OD1-CZ 3.49Å; D439-R452 IonicContact OD1-NE 3.49Å; D439-R452 PolarHBondContact OD1-NE 3.18Å; D439-R452 IonicContact OD1-NH2 3.42Å; D439-R452 PolarHBondContact OD1-NH2 3.28Å; D439-R452 IonicContact OD2-CZ 3.46Å; D439-R452 IonicContact OD2-NE 3.76Å; D439-R452 PolarHBondContact OD2-NE 3.47Å; D439-R452 IonicContact OD2-NH2 2.7Å; D439-R452 PolarHBondContact OD2-NH2 3.39Å; L442-R452 HydrophobicContact CB-CG 3.61Å; L442-R452 HydrophobicContact CD1-CG 3.95Å; L442-R452 HydrophobicContact CG-CG 4.45Å; S443-R452 VanDerWaalsContact CB-NH1 3.29Å; I447-R452 HydrophobicContact CG2-CB 4.03Å; P448-R452 VanDerWaalsContact O-CB 3.29Å; P448-R452 WeakPolarHBondContact O-CB 3.31Å; P448-R452 PolarHBondContact O-N 2.87Å; G450-R452 VanDerWaalsContact C-N 3.25Å; G450-R452 PolarHBondContact O-N 3.29Å; R452-M455 PolarHBondContact O-N 2.77Å; R452-L456 WeakPolarHBondContact O-CG 3.47Å; R452-L456 PolarHBondContact O-N 2.77Å; R452-L456 VanDerWaalsContact O-N 3.1Å
453K92.9Very high91Very high116 Ų11664.8 Ų64.850%0.50433%0.329SS..Hα-helixtrans-62.4-43.9175.2-74.6-176.1175.2-1700111.9L449 G450 P451 M455 L456 D457L449-K453 WeakPolarHBondContact O-CG 3.45Å; L449-K453 PolarHBondContact O-N 3.44Å; L449-K453 VanDerWaalsContact O-N 3.14Å; G450-K453 PolarHBondContact O-N 3.43Å; P451-K453 PolarHBondContact O-N 2.95Å; K453-M455 VanDerWaalsContact C-N 3.3Å; K453-M455 PolarHBondContact O-N 2.75Å; K453-L456 PolarHBondContact O-N 2.95Å; K453-D457 WeakPolarHBondContact O-CB 3.49Å; K453-D457 PolarHBondContact O-N 2.96Å
454K93.9Very high91.1Very high94 Ų9467.7 Ų67.741%0.40934%0.342SS..Hα-helixtrans-60.2-37.9178-170.9-178.9171.1-165.50112.4Q415 L417 G450 P451 A458Q415-K454 WeakPolarHBondContact O-CE 3.31Å; Q415-K454 PolarHBondContact O-NZ 3.5Å; L417-K454 HydrophobicContact CD1-CB 4.33Å; L417-K454 HydrophobicContact CD1-CD 4.08Å; L417-K454 HydrophobicContact CD1-CG 4.02Å; L417-K454 HydrophobicContact CD2-CD 4.23Å; L417-K454 HydrophobicContact CG-CD 4.25Å; G450-K454 PolarHBondContact O-N 3.37Å; G450-K454 VanDerWaalsContact O-N 3.12Å; P451-K454 CarbonylContact O-C 3.52Å; P451-K454 WeakPolarHBondContact O-CB 3.37Å; P451-K454 PolarHBondContact O-N 3.36Å; P451-K454 VanDerWaalsContact O-N 3.16Å; K454-A458 WeakPolarHBondContact O-CB 3.26Å; K454-A458 PolarHBondContact O-N 3.11Å
455M92.6Very high91.1Very high1 Ų168.6 Ų68.61%0.00534%0.344CS..Hα-helixtrans-63.6-52172.6-70.2173.680.800111.3L412 L417 L424 L434 L442 I447 P451 R452 K453 D457 A458 C459L412-M455 HydrophobicContact CD2-CE 4.04Å; L417-M455 HydrophobicContact CD1-CG 3.57Å; L424-M455 HydrophobicContact CD1-CE 3.74Å; L424-M455 HydrophobicContact CD2-CE 4.43Å; L434-M455 HydrophobicContact CD1-CE 3.69Å; L434-M455 HydrophobicContact CD2-CE 3.94Å; L434-M455 HydrophobicContact CG-CE 4.47Å; L442-M455 HydrophobicContact CD1-CB 4.45Å; I447-M455 HydrophobicContact CD1-CE 4.3Å; I447-M455 HydrophobicContact CD1-SD 4.02Å; I447-M455 HydrophobicContact CG2-SD 4.16Å; P451-M455 VanDerWaalsContact O-CG 3.31Å; P451-M455 WeakPolarHBondContact O-CG 3.41Å; P451-M455 PolarHBondContact O-N 3.23Å; R452-M455 PolarHBondContact O-N 2.77Å; K453-M455 VanDerWaalsContact C-N 3.3Å; K453-M455 PolarHBondContact O-N 2.75Å; M455-D457 VanDerWaalsContact C-N 3.33Å; M455-D457 PolarHBondContact O-N 3.44Å; M455-A458 WeakPolarHBondContact O-CB 3.14Å; M455-A458 PolarHBondContact O-N 3.16Å; M455-A458 VanDerWaalsContact O-N 3.16Å; M455-C459 PolarHBondContact O-N 3.25Å; M455-C459 PolarHBondContact O-SG 2.9Å
456L93.1Very high91Very high26 Ų2672.8 Ų72.814%0.13637%0.366CS..Hα-helixtrans-60.9-40.9-179.8-67.9170.9000112.3C437 D439 L442 R452 K453 A458 C459 K460C437-L456 WeakPolarHBondContact O-CD2 3.47Å; D439-L456 HydrophobicContact CB-CD1 3.77Å; D439-L456 WeakPolarHBondContact OD1-CD1 3.44Å; L442-L456 HydrophobicContact CD1-CD1 4.46Å; L442-L456 HydrophobicContact CD1-CD2 3.77Å; L442-L456 HydrophobicContact CD1-CG 3.86Å; R452-L456 WeakPolarHBondContact O-CG 3.47Å; R452-L456 PolarHBondContact O-N 2.77Å; R452-L456 VanDerWaalsContact O-N 3.1Å; K453-L456 PolarHBondContact O-N 2.95Å; L456-A458 VanDerWaalsContact C-N 3.34Å; L456-C459 PolarHBondContact O-N 2.73Å; L456-K460 WeakPolarHBondContact O-CG 3.49Å; L456-K460 PolarHBondContact O-N 2.92Å
457D94.6Very high91.2Very high73 Ų7371.1 Ų71.139%0.3936%0.359SS..Hα-helixtrans-75.2-22.8178.6-63.9-26.2000112.7K453 M455 K460 R461K453-D457 WeakPolarHBondContact O-CB 3.49Å; K453-D457 PolarHBondContact O-N 2.96Å; M455-D457 VanDerWaalsContact C-N 3.33Å; M455-D457 PolarHBondContact O-N 3.44Å; D457-K460 IonicContact OD1-NZ 2.87Å; D457-K460 PolarHBondContact OD1-NZ 3.1Å; D457-R461 WeakPolarHBondContact O-CG 3.09Å; D457-R461 PolarHBondContact O-N 2.9Å; D457-R461 PolarHBondContact O-NE 3.45Å
458A93.8Very high91Very high3 Ų378.7 Ų78.73%0.02539%0.394CS..Hα-helixtrans-73.6-40.7165.800000112.3F411 Q415 K454 M455 L456 R461 R462F411-A458 HydrophobicContact CE2-CB 4.32Å; F411-A458 HydrophobicContact CZ-CB 3.79Å; Q415-A458 HydrophobicContact CG-CB 3.6Å; K454-A458 WeakPolarHBondContact O-CB 3.26Å; K454-A458 PolarHBondContact O-N 3.11Å; M455-A458 WeakPolarHBondContact O-CB 3.14Å; M455-A458 PolarHBondContact O-N 3.16Å; M455-A458 VanDerWaalsContact O-N 3.16Å; L456-A458 VanDerWaalsContact C-N 3.34Å; A458-R461 PolarHBondContact O-N 3.08Å; A458-R462 PolarHBondContact O-N 2.66Å
459C93.4Very high90.6Very high10 Ų1080.4 Ų80.47%0.06841%0.405CS..Hα-helixtrans-61.2-47.4176.8-680000111.1L435 M455 L456 R461 R462 L463L435-C459 HydrophobicContact CD2-CB 3.82Å; M455-C459 PolarHBondContact O-N 3.25Å; M455-C459 PolarHBondContact O-SG 2.9Å; L456-C459 PolarHBondContact O-N 2.73Å; C459-R461 PolarHBondContact O-N 2.78Å; C459-R462 PolarHBondContact O-N 2.85Å; C459-L463 PolarHBondContact O-N 3.47Å
460K92.8Very high89.9Confident117 Ų11784.3 Ų84.351%0.50942%0.421SS..Hα-helixtrans-58-47.8173.5-68.4168.2-164.6159.30112.4L456 D457 R462 L463 N464L456-K460 WeakPolarHBondContact O-CG 3.49Å; L456-K460 PolarHBondContact O-N 2.92Å; D457-K460 IonicContact OD1-NZ 2.87Å; D457-K460 PolarHBondContact OD1-NZ 3.1Å; K460-R462 VanDerWaalsContact C-N 3.28Å; K460-R462 PolarHBondContact O-N 3.26Å; K460-L463 WeakPolarHBondContact O-CB 3.37Å; K460-L463 PolarHBondContact O-N 2.7Å; K460-L463 VanDerWaalsContact O-N 3.13Å; K460-N464 PolarHBondContact O-N 3.16Å; K460-N464 PolarHBondContact O-OD1 3.45Å
461R90.7Very high89.1Confident143 Ų14386.1 Ų86.154%0.5443%0.431SS..Hα-helixtrans-59.8-39.5177.9-77.8178.4-67.2157.49.7112D457 A458 C459 V465D457-R461 WeakPolarHBondContact O-CG 3.09Å; D457-R461 PolarHBondContact O-N 2.9Å; D457-R461 PolarHBondContact O-NE 3.45Å; A458-R461 PolarHBondContact O-N 3.08Å; C459-R461 PolarHBondContact O-N 2.78Å; R461-V465 WeakPolarHBondContact O-CG2 2.92Å; R461-V465 PolarHBondContact O-N 3.4Å
462R91.8Very high88.3Confident105 Ų10592.5 Ų92.540%0.39646%0.462SS..Hα-helixtrans-66.1-42.2173.8-177.6172.5178.182.7-1.7112F411 L435 A458 C459 K460 V465 L466F411-R462 HydrophobicContact CE2-CB 4.26Å; L435-R462 HydrophobicContact CD2-CB 4.42Å; A458-R462 PolarHBondContact O-N 2.66Å; C459-R462 PolarHBondContact O-N 2.85Å; K460-R462 VanDerWaalsContact C-N 3.28Å; K460-R462 PolarHBondContact O-N 3.26Å; R462-V465 PolarHBondContact O-N 3.24Å; R462-L466 HydrophobicContact CG-CD1 4.18Å; R462-L466 WeakPolarHBondContact O-CG 3.45Å; R462-L466 PolarHBondContact O-N 3.05Å; R462-L466 VanDerWaalsContact O-N 3.12Å
463L91.7Very high87.5Confident77 Ų7799 Ų9940%0.40349%0.494SS..Hα-helixtrans-59.9-49.5177-163.698.3000111.1C459 K460 V465 L466 E467C459-L463 PolarHBondContact O-N 3.47Å; K460-L463 WeakPolarHBondContact O-CB 3.37Å; K460-L463 PolarHBondContact O-N 2.7Å; K460-L463 VanDerWaalsContact O-N 3.13Å; L463-V465 VanDerWaalsContact C-N 3.3Å; L463-V465 PolarHBondContact O-N 2.83Å; L463-L466 WeakPolarHBondContact O-CA 3.03Å; L463-L466 WeakPolarHBondContact O-CB 3.29Å; L463-L466 PolarHBondContact O-N 3.16Å; L463-E467 PolarHBondContact O-N 3.24Å
464N90.6Very high86.7Confident94 Ų94101 Ų10150%0.50351%0.51SS..Hα-helixtrans-57.3-41.2178.1-67.424000112.4K460 L466 E467 E468K460-N464 PolarHBondContact O-N 3.16Å; K460-N464 PolarHBondContact O-OD1 3.45Å; N464-L466 VanDerWaalsContact C-N 3.29Å; N464-L466 PolarHBondContact O-N 3.4Å; N464-E467 PolarHBondContact O-N 3.25Å; N464-E468 PolarHBondContact O-N 3.35Å
465V88.1Confident85.6Confident97 Ų97101.3 Ų101.359%0.58852%0.524SS*.Hα-helixtrans-69.8-25.1177.3171.70000112.5R461 R462 L463 E468R461-V465 WeakPolarHBondContact O-CG2 2.92Å; R461-V465 PolarHBondContact O-N 3.4Å; R462-V465 PolarHBondContact O-N 3.24Å; L463-V465 VanDerWaalsContact C-N 3.3Å; L463-V465 PolarHBondContact O-N 2.83Å; V465-E468 CarbonylContact O-C 3.49Å
466L86.2Confident84.4Confident112 Ų112106.3 Ų106.359%0.58657%0.565SS**Hα-helixtrans-79.8-27.5172.5-68.1169000112.3R462 L463 N464R462-L466 HydrophobicContact CG-CD1 4.18Å; R462-L466 WeakPolarHBondContact O-CG 3.45Å; R462-L466 PolarHBondContact O-N 3.05Å; R462-L466 VanDerWaalsContact O-N 3.12Å; L463-L466 WeakPolarHBondContact O-CA 3.03Å; L463-L466 WeakPolarHBondContact O-CB 3.29Å; L463-L466 PolarHBondContact O-N 3.16Å; N464-L466 VanDerWaalsContact C-N 3.29Å; N464-L466 PolarHBondContact O-N 3.4Å
467E88.5Confident82.3Confident138 Ų138116.3 Ų116.365%0.64562%0.618SS**Hα-helixtrans-78.9-39.6174.1-69.7177.8172.100112.1L463 N464L463-E467 PolarHBondContact O-N 3.24Å; N464-E467 PolarHBondContact O-N 3.25Å
468E86Confident81.7Confident162 Ų162118.5 Ų118.576%0.75763%0.629SS**SBendtrans-124.583.7179.3-65.4-174.8165.500110.7N464 V465 E470N464-E468 PolarHBondContact O-N 3.35Å; V465-E468 CarbonylContact O-C 3.49Å; E468-E470 PolarHBondContact O-N 3.39Å
469P79.9Confident81.1Confident105 Ų105124.6 Ų124.668%0.68266%0.661SS**  trans-69.7113.3175.327.5-33.4000110.6
470E73.4Confident80.4Confident178 Ų178130.9 Ų130.983%0.83269%0.694SS**  trans-61.7140.5174.2-67.4-176.2154.200111E468 I472E468-E470 PolarHBondContact O-N 3.39Å; E470-I472 PolarHBondContact O-N 3.49Å
471A73.4Confident79.7Confident87 Ų87131.8 Ų131.872%0.71971%0.705SS**  trans-68.6122.4176.400000110E473A471-E473 PolarHBondContact O-N 3.09Å
472I75.8Confident79Confident167 Ų167131.1 Ų131.186%0.85672%0.715SS**  trans-74.9106.4173.9-56.7174.2000107.8E470E470-I472 PolarHBondContact O-N 3.49Å
473E74.9Confident78.1Confident174 Ų174132.8 Ų132.881%0.81374%0.736SS**  trans-95.9127.9170.4-64.7-172.1168.200109.6A471 S475A471-E473 PolarHBondContact O-N 3.09Å; E473-S475 PolarHBondContact O-N 2.81Å
474D74.6Confident77.1Confident157 Ų157136.8 Ų136.884%0.8476%0.76SS**  trans-62128.7174.1-77.9-36.8000109.9A476D474-A476 PolarHBondContact O-N 3.16Å
475S72.1Confident76.1Confident102 Ų102140.1 Ų140.171%0.71378%0.78SS**  trans-69.597.1174.761.30000109.6E473 L477E473-S475 PolarHBondContact O-N 2.81Å; S475-L477 PolarHBondContact O-N 3.42Å; S475-L477 VanDerWaalsContact O-N 3.17Å
476A66.3Low75.1Confident105 Ų105143.7 Ų143.787%0.86880%0.796SS**  trans-58.7117.9173.800000110.5D474D474-A476 PolarHBondContact O-N 3.16Å
477L50.3Low74.1Confident237 Ų237146.5 Ų146.5100%1.24182%0.815SS**  trans-108.70177.8-90.6166.6000111S475S475-L477 PolarHBondContact O-N 3.42Å; S475-L477 VanDerWaalsContact O-N 3.17Å

Retrieved 477 of 477 residues in 380.1 ms (Link to these results)

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