G4VTT7_SCHMA Loading...

Putative cytochrome oxidase biogenesis protein (Oxa1 mitochondrial)

AlphaFold DB , UniProt , Accession G4VTT7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 314 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
1M45Very low38.3Very low243 Ų243182.4 Ų182.4100%1.19786%0.861SS**  094.70-78.8-178.517500109R3M1-R3 PolarHBondContact O-N 3.24Å; M1-R3 VanDerWaalsContact O-N 3.13Å
2L40.4Very low37.8Very low177 Ų177174.8 Ų174.893%0.92784%0.841SS**  trans-73.5102.1175.3-82157.2000108.4L4L2-L4 PolarHBondContact O-N 3.35Å
3R39.4Very low37.6Very low240 Ų240169.8 Ų169.891%0.90684%0.836SS**  trans-6599.9172.1-91.1-177.4175.5178.8-1.6108.5M1 R5M1-R3 PolarHBondContact O-N 3.24Å; M1-R3 VanDerWaalsContact O-N 3.13Å; R3-R5 PolarHBondContact O-N 2.9Å
4L40.8Very low37.9Very low166 Ų166170.9 Ų170.987%0.86983%0.828SS**  trans-62.4104.5164.3-71.9163.3000107.8L2L2-L4 PolarHBondContact O-N 3.35Å
5R40.6Very low38.1Very low229 Ų229173.3 Ų173.386%0.86483%0.833SS**  trans-68.9127.1166.6-89.3-173.3-177.6-172.41.8107.7R3 V7R3-R5 PolarHBondContact O-N 2.9Å; R5-V7 PolarHBondContact O-N 3.19Å
6P37.7Very low38.8Very low114 Ų114168.5 Ų168.574%0.7482%0.818SS**  trans-69.3117.5174.627.5-30.6000108.7H8P6-H8 PolarHBondContact O-N 3.14Å
7V42.6Very low40.1Very low131 Ų131160.5 Ų160.579%0.79479%0.789SS**  trans-67.9109.8168.2176.10000106.7R5 Y9R5-V7 PolarHBondContact O-N 3.19Å; V7-Y9 PolarHBondContact O-N 3.04Å
8H31.4Very low41.7Very low175 Ų175156.9 Ų156.981%0.8178%0.783SS**  trans-66.298.1168.1-89.8-22.9000108.5P6 S10P6-H8 PolarHBondContact O-N 3.14Å; H8-S10 PolarHBondContact O-N 3.29Å
9Y36.2Very low43Very low206 Ų206152.6 Ų152.681%0.80876%0.759SS**  trans-72.489.1162.5-145.5-91.3000106.7V7 R11V7-Y9 PolarHBondContact O-N 3.04Å; Y9-R11 VanDerWaalsContact C-N 3.27Å; Y9-R11 PolarHBondContact O-N 3.36Å
10S34.6Very low44.3Very low103 Ų103146.6 Ų146.672%0.7273%0.733SS**  trans-60.197.7165.727.60000107.1H8 C12H8-S10 PolarHBondContact O-N 3.29Å; S10-C12 PolarHBondContact O-N 3.16Å
11R32Very low45.8Very low222 Ų222146.5 Ų146.584%0.83873%0.725SS**  trans-60.282.4166-85.4-179.6170.3176.1-2.9107.8Y9 S13Y9-R11 VanDerWaalsContact C-N 3.27Å; Y9-R11 PolarHBondContact O-N 3.36Å; R11-S13 VanDerWaalsContact C-N 3.27Å; R11-S13 PolarHBondContact O-N 3.33Å
12C32.4Very low47.2Very low91 Ų91137.9 Ų137.962%0.61568%0.683SS**  trans-7791.3166.2-1490000106.3S10 Y14S10-C12 PolarHBondContact O-N 3.16Å; C12-Y14 HydrophobicContact CB-CD2 4.48Å; C12-Y14 PolarHBondContact O-N 3.44Å; C12-Y14 WeakPolarHBondContact SG-CD2 2.96Å; C12-Y14 WeakPolarHBondContact SG-CE2 3.37Å
13S35.9Very low48.8Very low111 Ų111130 Ų13078%0.77664%0.643SS**  trans-69.358.9175.6-50.40000110.8R11R11-S13 VanDerWaalsContact C-N 3.27Å; R11-S13 PolarHBondContact O-N 3.33Å
14Y41Very low50.4Low184 Ų184124.3 Ų124.372%0.72263%0.626SS**  trans-84.7125.6154.1-71-74.6000106C12 T16C12-Y14 HydrophobicContact CB-CD2 4.48Å; C12-Y14 PolarHBondContact O-N 3.44Å; C12-Y14 WeakPolarHBondContact SG-CD2 2.96Å; C12-Y14 WeakPolarHBondContact SG-CE2 3.37Å; Y14-T16 WeakPolarHBondContact O-CG2 3.16Å; Y14-T16 PolarHBondContact O-N 3.25Å
15F41.5Very low52.3Low207 Ų207122 Ų12291%0.90861%0.611SS**  trans-45.383.5168.3-170.5-100.3000109.6G17F15-G17 PolarHBondContact O-N 2.96Å
16T48.6Very low54.3Low97 Ų97115.9 Ų115.960%0.59560%0.595SS**  trans-6989.6175.949.10000103.8Y14 S20Y14-T16 WeakPolarHBondContact O-CG2 3.16Å; Y14-T16 PolarHBondContact O-N 3.25Å; T16-S20 WeakPolarHBondContact CA-OG 3.43Å; T16-S20 WeakPolarHBondContact CB-OG 3.44Å; T16-S20 PolarHBondContact O-OG 3.01Å
17G61.1Low56.5Low32 Ų32111.4 Ų111.433%0.3356%0.564SS.*  trans-48.8150.8-176.900000110F15 F19 S20F15-G17 PolarHBondContact O-N 2.96Å; G17-F19 CarbonylContact O-C 3.55Å; G17-F19 PolarHBondContact O-N 3.06Å; G17-S20 PolarHBondContact N-OG 3.24Å; G17-S20 PolarHBondContact O-N 3.34Å; G17-S20 PolarHBondContact O-OG 3.34Å
18S68.9Low58.3Low97 Ų97108 Ų10868%0.67854%0.539SS*.Hα-helixtrans-45.5-29-170.8-46.80000114.4I22S18-I22 WeakPolarHBondContact O-CB 3.44Å; S18-I22 WeakPolarHBondContact O-CD1 3.36Å; S18-I22 WeakPolarHBondContact O-CG1 3.3Å; S18-I22 PolarHBondContact O-N 3.2Å
19F67Low60.4Low74 Ų74101 Ų10133%0.32551%0.509SS..Hα-helixtrans-60.1-45.9172.8-171.7-101.5000114.8G17 I22 S23 F156 F248G17-F19 CarbonylContact O-C 3.55Å; G17-F19 PolarHBondContact O-N 3.06Å; F19-I22 PolarHBondContact O-N 3.2Å; F19-S23 WeakPolarHBondContact O-CB 3.37Å; F19-S23 PolarHBondContact O-N 3.49Å; F19-F156 HydrophobicContact CD2-CE1 4.45Å; F19-F156 HydrophobicContact CD2-CZ 4.17Å; F19-F156 HydrophobicContact CE1-CE1 4.14Å; F19-F156 AromaticContact CE2-CE1 3.72Å; F19-F156 HydrophobicContact CE2-CE1 3.72Å; F19-F156 AromaticContact CE2-CZ 3.59Å; F19-F156 HydrophobicContact CE2-CZ 3.59Å; F19-F156 HydrophobicContact CZ-CD1 4.49Å; F19-F156 AromaticContact CZ-CE1 3.54Å; F19-F156 HydrophobicContact CZ-CE1 3.54Å; F19-F156 AromaticContact CZ-CZ 3.94Å; F19-F156 HydrophobicContact CZ-CZ 3.94Å; F19-F248 HydrophobicContact CE2-CE1 4.38Å; F19-F248 HydrophobicContact CZ-CE1 4.09Å
20S68.3Low62.5Low33 Ų3397.1 Ų97.123%0.23150%0.503CS..Hα-helixtrans-66.8-43.4178.154.60000111.7T16 G17 I22 S23 E24T16-S20 WeakPolarHBondContact CA-OG 3.43Å; T16-S20 WeakPolarHBondContact CB-OG 3.44Å; T16-S20 PolarHBondContact O-OG 3.01Å; G17-S20 PolarHBondContact N-OG 3.24Å; G17-S20 PolarHBondContact O-N 3.34Å; G17-S20 PolarHBondContact O-OG 3.34Å; S20-I22 PolarHBondContact O-N 3.16Å; S20-S23 PolarHBondContact O-N 3.22Å; S20-E24 WeakPolarHBondContact O-CB 3.19Å; S20-E24 WeakPolarHBondContact O-CG 3.39Å; S20-E24 PolarHBondContact O-N 3.44Å
21Y75.3Confident65Low145 Ų14595.6 Ų95.657%0.56948%0.484SS*.Hα-helixtrans-58.9-48.2173.7178.3-100.6000112.2S23 E24 E25Y21-S23 VanDerWaalsContact C-N 3.28Å; Y21-S23 PolarHBondContact O-N 3.41Å; Y21-E24 PolarHBondContact O-N 3.29Å; Y21-E25 VanDerWaalsContact O-CB 3.27Å; Y21-E25 WeakPolarHBondContact O-CB 3.45Å; Y21-E25 PolarHBondContact O-N 2.93Å
22I75.8Confident67.7Low62 Ų6291.5 Ų91.532%0.31848%0.478SS..Hα-helixtrans-59.5-42.5176.3-72.2165.8000110.9S18 F19 S20 L26 F27 F156S18-I22 WeakPolarHBondContact O-CB 3.44Å; S18-I22 WeakPolarHBondContact O-CD1 3.36Å; S18-I22 WeakPolarHBondContact O-CG1 3.3Å; S18-I22 PolarHBondContact O-N 3.2Å; F19-I22 PolarHBondContact O-N 3.2Å; S20-I22 PolarHBondContact O-N 3.16Å; I22-L26 HydrophobicContact CG2-CD1 4.41Å; I22-L26 WeakPolarHBondContact O-CB 3.47Å; I22-L26 PolarHBondContact O-N 3.28Å; I22-F27 HydrophobicContact CG2-CD2 3.72Å; I22-F27 HydrophobicContact CG2-CE2 3.7Å; I22-F27 PolarHBondContact O-N 3.42Å; I22-F156 HydrophobicContact CG2-CE2 4.26Å; I22-F156 HydrophobicContact CG2-CZ 4.13Å
23S73.6Confident70.4Confident12 Ų1290.8 Ų90.88%0.08447%0.465CS..Hα-helixtrans-66.7-43.9-179.6-169.20000113F19 S20 Y21 F27 H28 F156 R159F19-S23 WeakPolarHBondContact O-CB 3.37Å; F19-S23 PolarHBondContact O-N 3.49Å; S20-S23 PolarHBondContact O-N 3.22Å; Y21-S23 VanDerWaalsContact C-N 3.28Å; Y21-S23 PolarHBondContact O-N 3.41Å; S23-F27 CarbonylContact O-C 2.96Å; S23-F27 WeakPolarHBondContact O-CA 3.47Å; S23-F27 PolarHBondContact O-N 3.25Å; S23-H28 PolarHBondContact O-N 3.32Å; S23-F156 WeakPolarHBondContact OG-CD1 3.46Å; S23-R159 PolarHBondContact OG-NH1 3.03Å
24E73.5Confident72.9Confident120 Ų12085.5 Ų85.556%0.56143%0.428SS*.Hα-helixtrans-70.2-42.5-178.4-68.8-88.314600110.7S20 Y21 H28S20-E24 WeakPolarHBondContact O-CB 3.19Å; S20-E24 WeakPolarHBondContact O-CG 3.39Å; S20-E24 PolarHBondContact O-N 3.44Å; Y21-E24 PolarHBondContact O-N 3.29Å; E24-H28 WeakPolarHBondContact O-CB 3.44Å
25E80.6Confident75.1Confident117 Ų11782.2 Ų82.255%0.54742%0.418SS..Hα-helixtrans-84.8-50.3-172.9-166.467.5-151.800112.6Y21 H31Y21-E25 VanDerWaalsContact O-CB 3.27Å; Y21-E25 WeakPolarHBondContact O-CB 3.45Å; Y21-E25 PolarHBondContact O-N 2.93Å; E25-H31 PolarHBondContact O-NE2 3.32Å
26L82.1Confident77.5Confident101 Ų10175.5 Ų75.553%0.52939%0.394SS..THydrogen-bonded Turntrans-97.1-25.3-171-67.2168.8000113.5I22 H33I22-L26 HydrophobicContact CG2-CD1 4.41Å; I22-L26 WeakPolarHBondContact O-CB 3.47Å; I22-L26 PolarHBondContact O-N 3.28Å; L26-H33 PolarHBondContact O-CE1 2.68Å; L26-H33 PolarHBondContact O-NE2 3.28Å
27F83.3Confident79.6Confident20 Ų2071.5 Ų71.59%0.08837%0.368CS..SBendtrans-126.630.3-174.4-58.7-83.2000112.8I22 S23 V34 L152 F156I22-F27 HydrophobicContact CG2-CD2 3.72Å; I22-F27 HydrophobicContact CG2-CE2 3.7Å; I22-F27 PolarHBondContact O-N 3.42Å; S23-F27 CarbonylContact O-C 2.96Å; S23-F27 WeakPolarHBondContact O-CA 3.47Å; S23-F27 PolarHBondContact O-N 3.25Å; F27-V34 HydrophobicContact CB-CG2 4.3Å; F27-V34 HydrophobicContact CD1-CG2 4.49Å; F27-L152 HydrophobicContact CE1-CB 3.65Å; F27-L152 HydrophobicContact CE2-CB 4.14Å; F27-L152 HydrophobicContact CE2-CD1 4.35Å; F27-L152 HydrophobicContact CZ-CB 3.35Å; F27-L152 HydrophobicContact CZ-CD1 3.92Å; F27-L152 HydrophobicContact CZ-CG 4.24Å; F27-F156 HydrophobicContact CB-CB 3.6Å; F27-F156 HydrophobicContact CB-CD1 4.12Å; F27-F156 HydrophobicContact CB-CD2 3.74Å; F27-F156 HydrophobicContact CB-CE2 4.44Å; F27-F156 HydrophobicContact CB-CG 3.56Å; F27-F156 HydrophobicContact CD1-CB 4.17Å; F27-F156 AromaticContact CD1-CD2 3.71Å; F27-F156 HydrophobicContact CD1-CD2 3.71Å; F27-F156 HydrophobicContact CD1-CG 4.23Å; F27-F156 AromaticContact CD2-CD2 3.44Å; F27-F156 HydrophobicContact CD2-CD2 3.44Å; F27-F156 VanDerWaalsContact CD2-CD2 3.44Å; F27-F156 AromaticContact CD2-CE2 3.49Å; F27-F156 HydrophobicContact CD2-CE2 3.49Å; F27-F156 VanDerWaalsContact CD2-CE2 3.49Å; F27-F156 HydrophobicContact CD2-CG 4.15Å; F27-F156 HydrophobicContact CD2-CZ 4.22Å; F27-F156 HydrophobicContact CE1-CD2 4.17Å; F27-F156 AromaticContact CE2-CD2 3.93Å; F27-F156 HydrophobicContact CE2-CD2 3.93Å; F27-F156 AromaticContact CE2-CE2 3.78Å; F27-F156 HydrophobicContact CE2-CE2 3.78Å; F27-F156 HydrophobicContact CG-CB 4Å; F27-F156 AromaticContact CG-CD2 3.33Å; F27-F156 HydrophobicContact CG-CD2 3.33Å; F27-F156 AromaticContact CG-CE2 3.91Å; F27-F156 HydrophobicContact CG-CE2 3.91Å; F27-F156 AromaticContact CG-CG 3.73Å; F27-F156 HydrophobicContact CG-CG 3.73Å; F27-F156 HydrophobicContact CZ-CD2 4.27Å; F27-F156 HydrophobicContact CZ-CE2 4.42Å
28H80.3Confident81Confident60 Ų6070.3 Ų70.328%0.27836%0.355SS..  trans-53.5140170.1-160-95.6000110.4S23 E24 D30 H31S23-H28 PolarHBondContact O-N 3.32Å; E24-H28 WeakPolarHBondContact O-CB 3.44Å; H28-D30 IonicContact CE1-OD2 3.04Å; H28-D30 PolarHBondContact CE1-OD2 3.2Å; H28-D30 WeakPolarHBondContact ND1-CB 3.44Å; H28-D30 PolarHBondContact ND1-N 2.98Å; H28-D30 IonicContact ND1-OD2 3.27Å; H28-D30 PolarHBondContact ND1-OD2 3.25Å; H28-D30 PolarHBondContact O-N 3.5Å; H28-H31 PolarHBondContact N-CD2 3.3Å; H28-H31 WeakPolarHBondContact O-CB 3.16Å; H28-H31 PolarHBondContact O-N 3.13Å
29P75.8Confident82.1Confident27 Ų2770 Ų7018%0.17535%0.345CS..THydrogen-bonded Turntrans-58.2-29.3178.321.6-34.7000114.4H31 Y160P29-H31 PolarHBondContact O-N 3.15Å; P29-Y160 HydrophobicContact CB-CD1 4.21Å; P29-Y160 HydrophobicContact CB-CD2 3.52Å; P29-Y160 HydrophobicContact CB-CE1 4Å; P29-Y160 HydrophobicContact CB-CE2 3.34Å; P29-Y160 HydrophobicContact CB-CG 3.95Å; P29-Y160 HydrophobicContact CG-CD2 3.88Å; P29-Y160 HydrophobicContact CG-CE2 3.64Å
30D80.5Confident83.3Confident125 Ų12570 Ų7067%0.66835%0.349SS*.THydrogen-bonded Turntrans-71.4-16.9177.6-64.8-30.9000113.4H28 L32H28-D30 IonicContact CE1-OD2 3.04Å; H28-D30 PolarHBondContact CE1-OD2 3.2Å; H28-D30 WeakPolarHBondContact ND1-CB 3.44Å; H28-D30 PolarHBondContact ND1-N 2.98Å; H28-D30 IonicContact ND1-OD2 3.27Å; H28-D30 PolarHBondContact ND1-OD2 3.25Å; H28-D30 PolarHBondContact O-N 3.5Å; D30-L32 PolarHBondContact O-N 2.94Å
31H87.2Confident84.5Confident71 Ų7168.4 Ų68.433%0.32934%0.338SS..SBendtrans-67.3137177.7-70.5-44.9000110.9E25 H28 P29 H33 V34 K35E25-H31 PolarHBondContact O-NE2 3.32Å; H28-H31 PolarHBondContact N-CD2 3.3Å; H28-H31 WeakPolarHBondContact O-CB 3.16Å; H28-H31 PolarHBondContact O-N 3.13Å; P29-H31 PolarHBondContact O-N 3.15Å; H31-H33 WeakPolarHBondContact CB-CE1 3.46Å; H31-H33 AromaticContact CG-CE1 3.78Å; H31-H33 PolarHBondContact O-N 3.47Å; H31-H33 VanDerWaalsContact O-N 3.12Å; H31-V34 PolarHBondContact O-N 2.89Å; H31-K35 PolarHBondContact O-N 3.5Å
32L89.5Confident85.3Confident135 Ų13563.2 Ų63.271%0.70732%0.32SS*.Hα-helixtrans-52.2-41.8-174.2178.863.1000112.8D30 T36D30-L32 PolarHBondContact O-N 2.94Å; L32-T36 VanDerWaalsContact O-CB 3.31Å; L32-T36 WeakPolarHBondContact O-CB 3.4Å; L32-T36 PolarHBondContact O-N 2.91Å; L32-T36 PolarHBondContact O-OG1 2.93Å
33H89Confident86Confident77 Ų7761.5 Ų61.536%0.35632%0.317SS..Hα-helixtrans-66.4-38.7-178.553.3-85.3000112.9L26 H31 I37 T153L26-H33 PolarHBondContact O-CE1 2.68Å; L26-H33 PolarHBondContact O-NE2 3.28Å; H31-H33 WeakPolarHBondContact CB-CE1 3.46Å; H31-H33 AromaticContact CG-CE1 3.78Å; H31-H33 PolarHBondContact O-N 3.47Å; H31-H33 VanDerWaalsContact O-N 3.12Å; H33-I37 PolarHBondContact O-N 3.38Å; H33-T153 HydrophobicContact CB-CG2 4.02Å; H33-T153 WeakPolarHBondContact O-CG2 3.33Å
34V88.1Confident87Confident0 Ų061.8 Ų61.80%032%0.318CS..Hα-helixtrans-71-50.1176.8-178.40000109.6F27 H31 T36 I37 T38 T153 S157F27-V34 HydrophobicContact CB-CG2 4.3Å; F27-V34 HydrophobicContact CD1-CG2 4.49Å; H31-V34 PolarHBondContact O-N 2.89Å; V34-T36 VanDerWaalsContact C-N 3.25Å; V34-T36 PolarHBondContact O-N 3.36Å; V34-I37 PolarHBondContact O-N 2.81Å; V34-I37 VanDerWaalsContact O-N 3.11Å; V34-T38 WeakPolarHBondContact O-CB 3.25Å; V34-T38 PolarHBondContact O-N 3.42Å; V34-T38 PolarHBondContact O-OG1 3.17Å; V34-T38 VanDerWaalsContact O-OG1 3.04Å; V34-T153 HydrophobicContact CG2-CG2 4.47Å; V34-S157 PolarHBondContact O-OG 2.81Å
35K88Confident87.9Confident115 Ų11558.1 Ų58.150%0.530%0.301SS..Hα-helixtrans-56.1-39.6178.4-170171.4-174.5170.80112.8H31 T38 N39H31-K35 PolarHBondContact O-N 3.5Å; K35-T38 PolarHBondContact O-N 3Å; K35-N39 VanDerWaalsContact O-CB 3.3Å; K35-N39 WeakPolarHBondContact O-CB 3.5Å; K35-N39 PolarHBondContact O-N 3.49Å; K35-N39 PolarHBondContact O-ND2 3.49Å
36T92Very high88.4Confident66 Ų6658.2 Ų58.241%0.40531%0.305SS..Hα-helixtrans-61.8-48177.3-59.60000111.5L32 V34 N39 L40L32-T36 VanDerWaalsContact O-CB 3.31Å; L32-T36 WeakPolarHBondContact O-CB 3.4Å; L32-T36 PolarHBondContact O-N 2.91Å; L32-T36 PolarHBondContact O-OG1 2.93Å; V34-T36 VanDerWaalsContact C-N 3.25Å; V34-T36 PolarHBondContact O-N 3.36Å; T36-N39 PolarHBondContact O-N 2.81Å; T36-L40 HydrophobicContact CG2-CD1 4.15Å; T36-L40 WeakPolarHBondContact O-CB 3.21Å; T36-L40 VanDerWaalsContact O-CG 3.27Å; T36-L40 WeakPolarHBondContact O-CG 3.47Å; T36-L40 PolarHBondContact O-N 3.5Å
37I92.4Very high88.9Confident12 Ų1261.4 Ų61.46%0.06232%0.317CS..Hα-helixtrans-69-40.9179.6-62.5-60.2000111.4H33 V34 N39 L40 L41 V63 T153 F154 S157H33-I37 PolarHBondContact O-N 3.38Å; V34-I37 PolarHBondContact O-N 2.81Å; V34-I37 VanDerWaalsContact O-N 3.11Å; I37-N39 PolarHBondContact O-N 2.76Å; I37-L40 HydrophobicContact CD1-CD1 4.28Å; I37-L40 PolarHBondContact O-N 3.09Å; I37-L41 HydrophobicContact CG2-CD1 4.01Å; I37-L41 HydrophobicContact CG2-CG 4.5Å; I37-L41 WeakPolarHBondContact O-CG 3.27Å; I37-L41 PolarHBondContact O-N 3.28Å; I37-V63 HydrophobicContact CD1-CG1 4.34Å; I37-V63 HydrophobicContact CD1-CG2 4.46Å; I37-T153 HydrophobicContact CG1-CG2 3.93Å; I37-F154 HydrophobicContact CD1-CD2 4.2Å; I37-F154 HydrophobicContact CG2-CD1 4.38Å; I37-F154 HydrophobicContact CG2-CD2 3.64Å; I37-F154 HydrophobicContact CG2-CE2 3.85Å; I37-F154 HydrophobicContact CG2-CG 3.93Å; I37-F154 HydrophobicContact CG2-CZ 4.31Å; I37-S157 WeakPolarHBondContact CB-OG 3.34Å
38T90.7Very high89.3Confident7 Ų765.2 Ų65.24%0.04334%0.338CS..Hα-helixtrans-56.9-48.8174.4-60.30000111.1V34 K35 L40 L41 L42 Y160 L161V34-T38 WeakPolarHBondContact O-CB 3.25Å; V34-T38 PolarHBondContact O-N 3.42Å; V34-T38 PolarHBondContact O-OG1 3.17Å; V34-T38 VanDerWaalsContact O-OG1 3.04Å; K35-T38 PolarHBondContact O-N 3Å; T38-L40 VanDerWaalsContact C-N 3.34Å; T38-L40 PolarHBondContact O-N 2.76Å; T38-L41 PolarHBondContact O-N 2.97Å; T38-L42 HydrophobicContact CG2-CD1 4.17Å; T38-L42 WeakPolarHBondContact O-CG 3.1Å; T38-L42 PolarHBondContact O-N 2.78Å; T38-Y160 HydrophobicContact CG2-CD1 4Å; T38-Y160 HydrophobicContact CG2-CE1 4.13Å; T38-L161 HydrophobicContact CG2-CD1 4.33Å; T38-L161 HydrophobicContact CG2-CD2 3.63Å; T38-L161 HydrophobicContact CG2-CG 3.96Å
39N91.3Very high89.7Confident90 Ų9065.4 Ų65.448%0.48136%0.356SS..Hα-helixtrans-65.2-35.9177.5-71.5-12000112.6K35 T36 I37 G43K35-N39 VanDerWaalsContact O-CB 3.3Å; K35-N39 WeakPolarHBondContact O-CB 3.5Å; K35-N39 PolarHBondContact O-N 3.49Å; K35-N39 PolarHBondContact O-ND2 3.49Å; T36-N39 PolarHBondContact O-N 2.81Å; I37-N39 PolarHBondContact O-N 2.76Å; N39-G43 PolarHBondContact O-N 3.24Å
40L93Very high90.4Very high75 Ų7566.3 Ų66.339%0.39336%0.36SS..Hα-helixtrans-66.3-39.6174-75.9170.8000111.8T36 I37 T38 V44 T59 V63T36-L40 HydrophobicContact CG2-CD1 4.15Å; T36-L40 WeakPolarHBondContact O-CB 3.21Å; T36-L40 VanDerWaalsContact O-CG 3.27Å; T36-L40 WeakPolarHBondContact O-CG 3.47Å; T36-L40 PolarHBondContact O-N 3.5Å; I37-L40 HydrophobicContact CD1-CD1 4.28Å; I37-L40 PolarHBondContact O-N 3.09Å; T38-L40 VanDerWaalsContact C-N 3.34Å; T38-L40 PolarHBondContact O-N 2.76Å; L40-V44 WeakPolarHBondContact O-CB 3.34Å; L40-V44 VanDerWaalsContact O-CG2 3.23Å; L40-V44 WeakPolarHBondContact O-CG2 3.42Å; L40-V44 PolarHBondContact O-N 3.42Å; L40-T59 HydrophobicContact CB-CG2 4.23Å; L40-V63 HydrophobicContact CD1-CG2 4.28Å
41L92.9Very high91Very high0 Ų064.1 Ų64.10%035%0.352CS..Hα-helixtrans-63.4-47.6175.4-78.9163.7000111.2I37 T38 V44 H45 T55 I56 T59 F154 I158 L161I37-L41 HydrophobicContact CG2-CD1 4.01Å; I37-L41 HydrophobicContact CG2-CG 4.5Å; I37-L41 WeakPolarHBondContact O-CG 3.27Å; I37-L41 PolarHBondContact O-N 3.28Å; T38-L41 PolarHBondContact O-N 2.97Å; L41-V44 PolarHBondContact O-N 3Å; L41-H45 WeakPolarHBondContact O-CB 3.27Å; L41-H45 PolarHBondContact O-N 3.1Å; L41-T55 HydrophobicContact CD2-CG2 4.48Å; L41-T55 VanDerWaalsContact O-CG2 3.3Å; L41-T55 WeakPolarHBondContact O-CG2 3.48Å; L41-I56 HydrophobicContact CD2-CG1 4.17Å; L41-T59 HydrophobicContact CD2-CG2 3.95Å; L41-T59 HydrophobicContact CG-CG2 4.12Å; L41-F154 HydrophobicContact CD1-CE1 4.18Å; L41-F154 HydrophobicContact CD1-CZ 4.4Å; L41-F154 HydrophobicContact CD2-CE1 4.19Å; L41-F154 HydrophobicContact CD2-CZ 4.03Å; L41-F154 HydrophobicContact CG-CZ 4.36Å; L41-I158 HydrophobicContact CD1-CG1 4.13Å; L41-L161 HydrophobicContact CB-CD1 3.79Å; L41-L161 HydrophobicContact CD1-CD1 3.52Å; L41-L161 HydrophobicContact CG-CD1 4.27Å
42L91.2Very high91.1Very high36 Ų3661.4 Ų61.419%0.18834%0.339CS..Hα-helixtrans-61.3-48.2175.9-68.8166.4000111.3T38 V44 H45 D46 W52 L161 H174T38-L42 HydrophobicContact CG2-CD1 4.17Å; T38-L42 WeakPolarHBondContact O-CG 3.1Å; T38-L42 PolarHBondContact O-N 2.78Å; L42-V44 VanDerWaalsContact C-N 3.35Å; L42-V44 PolarHBondContact O-N 3.27Å; L42-H45 WeakPolarHBondContact O-CB 3.37Å; L42-H45 PolarHBondContact O-N 3.17Å; L42-H45 VanDerWaalsContact O-N 3.1Å; L42-D46 WeakPolarHBondContact O-CB 3.08Å; L42-D46 VanDerWaalsContact O-CG 3.23Å; L42-D46 PolarHBondContact O-N 3.14Å; L42-W52 HydrophobicContact CD2-CH2 3.82Å; L42-W52 HydrophobicContact CD2-CZ2 4.48Å; L42-L161 HydrophobicContact CD1-CD2 4.49Å; L42-L161 HydrophobicContact CD2-CD2 4.25Å; L42-L161 HydrophobicContact CG-CD2 4.3Å; L42-H174 HydrophobicContact CD1-CB 4.39Å
43G91.8Very high91.2Very high25 Ų2555.8 Ų55.826%0.25831%0.313SS..Hα-helixtrans-60.6-40.8179.200000113.3N39 Q47N39-G43 PolarHBondContact O-N 3.24Å; G43-Q47 WeakPolarHBondContact O-CB 3.43Å; G43-Q47 WeakPolarHBondContact O-CG 3.48Å; G43-Q47 PolarHBondContact O-N 2.89Å
44V93.2Very high91.4Very high18 Ų1856.7 Ų56.711%0.10932%0.321CS..Hα-helixtrans-67.8-37.9175.2172.40000111.3L40 L41 L42 L48 T55 T58 T59L40-V44 WeakPolarHBondContact O-CB 3.34Å; L40-V44 VanDerWaalsContact O-CG2 3.23Å; L40-V44 WeakPolarHBondContact O-CG2 3.42Å; L40-V44 PolarHBondContact O-N 3.42Å; L41-V44 PolarHBondContact O-N 3Å; L42-V44 VanDerWaalsContact C-N 3.35Å; L42-V44 PolarHBondContact O-N 3.27Å; V44-L48 HydrophobicContact CG1-CD1 3.81Å; V44-L48 HydrophobicContact CG1-CG 4.43Å; V44-L48 WeakPolarHBondContact O-CB 3.21Å; V44-L48 PolarHBondContact O-N 3.05Å; V44-L48 VanDerWaalsContact O-N 3.11Å; V44-T55 HydrophobicContact CB-CG2 4.2Å; V44-T55 HydrophobicContact CG1-CG2 4.03Å; V44-T58 HydrophobicContact CG1-CG2 4.43Å; V44-T59 WeakPolarHBondContact CB-OG1 3.27Å; V44-T59 WeakPolarHBondContact CG1-OG1 3.32Å; V44-T59 WeakPolarHBondContact CG2-OG1 3.35Å
45H92.4Very high91.7Very high43 Ų4356.7 Ų56.720%0.19932%0.321CS..Hα-helixtrans-61.9-52.2175.9-173.553.6000111.1L41 L42 G49 L50 W52 T55L41-H45 WeakPolarHBondContact O-CB 3.27Å; L41-H45 PolarHBondContact O-N 3.1Å; L42-H45 WeakPolarHBondContact O-CB 3.37Å; L42-H45 PolarHBondContact O-N 3.17Å; L42-H45 VanDerWaalsContact O-N 3.1Å; H45-G49 VanDerWaalsContact O-CA 3.3Å; H45-G49 WeakPolarHBondContact O-CA 3.37Å; H45-G49 PolarHBondContact O-N 2.64Å; H45-L50 PolarHBondContact CE1-O 3.14Å; H45-L50 PolarHBondContact ND1-O 3.27Å; H45-W52 AromaticContact CD2-CE2 3.76Å; H45-W52 AromaticContact CD2-CZ2 3.65Å; H45-W52 AromaticContact CD2-NE1 3.97Å; H45-W52 AromaticContact CE1-CD1 3.78Å; H45-W52 AromaticContact CE1-CE2 3.87Å; H45-W52 AromaticContact CE1-NE1 3.54Å; H45-W52 AromaticContact NE2-CE2 3.62Å; H45-W52 AromaticContact NE2-CZ2 3.94Å; H45-W52 AromaticContact NE2-NE1 3.33Å; H45-W52 PolarHBondContact NE2-NE1 3.16Å; H45-T55 HydrophobicContact CB-CG2 3.76Å; H45-T55 PolarHBondContact ND1-OG1 3.23Å
46D91Very high92Very high120 Ų12051.3 Ų51.364%0.64230%0.297SS*.Hα-helixtrans-70.1-38.5-173.8-63.4-19.3000112L42L42-D46 WeakPolarHBondContact O-CB 3.08Å; L42-D46 VanDerWaalsContact O-CG 3.23Å; L42-D46 PolarHBondContact O-N 3.14Å
47Q93.1Very high92.2Very high167 Ų16748.9 Ų48.978%0.7828%0.284SS*.Hα-helixtrans-78.4-39-178.4-70.3-179.9-7.900113.5G43G43-Q47 WeakPolarHBondContact O-CB 3.43Å; G43-Q47 WeakPolarHBondContact O-CG 3.48Å; G43-Q47 PolarHBondContact O-N 2.89Å
48L92.8Very high92.4Very high101 Ų10151 Ų5153%0.52930%0.297SS..Hα-helixtrans-93.2-12.8-177.9-58.1-177.6000112.9V44 L50 T58V44-L48 HydrophobicContact CG1-CD1 3.81Å; V44-L48 HydrophobicContact CG1-CG 4.43Å; V44-L48 WeakPolarHBondContact O-CB 3.21Å; V44-L48 PolarHBondContact O-N 3.05Å; V44-L48 VanDerWaalsContact O-N 3.11Å; L48-L50 HydrophobicContact CB-CB 4.49Å; L48-L50 HydrophobicContact CB-CD1 3.87Å; L48-L50 HydrophobicContact CB-CG 3.68Å; L48-L50 HydrophobicContact CD1-CD1 3.69Å; L48-L50 HydrophobicContact CD1-CG 4.44Å; L48-L50 HydrophobicContact CG-CD1 4.46Å; L48-L50 PolarHBondContact O-N 3.2Å; L48-T58 HydrophobicContact CD1-CG2 4.27Å
49G88.8Confident92.6Very high64 Ų6450.7 Ų50.766%0.6630%0.296SS*.  trans60.722-176.100000113.5H45H45-G49 VanDerWaalsContact O-CA 3.3Å; H45-G49 WeakPolarHBondContact O-CA 3.37Å; H45-G49 PolarHBondContact O-N 2.64Å
50L89.8Confident92.7Very high46 Ų4646.5 Ų46.524%0.24127%0.273CS..  trans-76.9147.3-175.4-69.6175.7000111H45 L48 L54 T55H45-L50 PolarHBondContact CE1-O 3.14Å; H45-L50 PolarHBondContact ND1-O 3.27Å; L48-L50 HydrophobicContact CB-CB 4.49Å; L48-L50 HydrophobicContact CB-CD1 3.87Å; L48-L50 HydrophobicContact CB-CG 3.68Å; L48-L50 HydrophobicContact CD1-CD1 3.69Å; L48-L50 HydrophobicContact CD1-CG 4.44Å; L48-L50 HydrophobicContact CG-CD1 4.46Å; L48-L50 PolarHBondContact O-N 3.2Å; L50-L54 HydrophobicContact CB-CB 4.24Å; L50-L54 HydrophobicContact CD1-CB 4.41Å; L50-L54 HydrophobicContact CD2-CD1 4.4Å; L50-T55 PolarHBondContact O-OG1 3.04Å; L50-T55 VanDerWaalsContact O-OG1 3.1Å
51P92.4Very high92.8Very high79 Ų7946.3 Ų46.351%0.51327%0.272SS..  trans-58.5151.3168.427.1-34.7000110.4G53 L54 T55P51-G53 VanDerWaalsContact C-N 3.27Å; P51-G53 PolarHBondContact O-N 3.02Å; P51-G53 VanDerWaalsContact O-N 3.16Å; P51-L54 HydrophobicContact CG-CB 4.1Å; P51-L54 HydrophobicContact CG-CD1 3.78Å; P51-L54 HydrophobicContact CG-CG 3.94Å; P51-L54 PolarHBondContact O-N 3.42Å; P51-T55 PolarHBondContact O-N 2.82Å; P51-T55 PolarHBondContact O-OG1 3.45Å
52W90Very high92.9Very high13 Ų1350.9 Ų50.95%0.04930%0.296CS..Hα-helixtrans-55.1-38.1-172.7-82.8103.5000114.1L42 H45 L54 T55 I56 L161 I176 L181L42-W52 HydrophobicContact CD2-CH2 3.82Å; L42-W52 HydrophobicContact CD2-CZ2 4.48Å; H45-W52 AromaticContact CD2-CE2 3.76Å; H45-W52 AromaticContact CD2-CZ2 3.65Å; H45-W52 AromaticContact CD2-NE1 3.97Å; H45-W52 AromaticContact CE1-CD1 3.78Å; H45-W52 AromaticContact CE1-CE2 3.87Å; H45-W52 AromaticContact CE1-NE1 3.54Å; H45-W52 AromaticContact NE2-CE2 3.62Å; H45-W52 AromaticContact NE2-CZ2 3.94Å; H45-W52 AromaticContact NE2-NE1 3.33Å; H45-W52 PolarHBondContact NE2-NE1 3.16Å; W52-L54 PolarHBondContact O-N 3.06Å; W52-T55 WeakPolarHBondContact O-CB 3.48Å; W52-T55 PolarHBondContact O-N 3.31Å; W52-I56 VanDerWaalsContact O-CG1 3.26Å; W52-I56 WeakPolarHBondContact O-CG1 3.41Å; W52-I56 PolarHBondContact O-N 3.35Å; W52-L161 HydrophobicContact CZ3-CD1 4.4Å; W52-I176 HydrophobicContact CB-CG2 3.96Å; W52-I176 HydrophobicContact CD2-CB 4.24Å; W52-I176 HydrophobicContact CD2-CG1 3.98Å; W52-I176 HydrophobicContact CD2-CG2 3.93Å; W52-I176 HydrophobicContact CE3-CD1 4.39Å; W52-I176 HydrophobicContact CE3-CG1 3.83Å; W52-I176 HydrophobicContact CG-CB 4.46Å; W52-I176 HydrophobicContact CG-CG2 3.65Å; W52-I176 HydrophobicContact CH2-CG1 4.36Å; W52-I176 HydrophobicContact CZ3-CG1 4.03Å; W52-L181 HydrophobicContact CB-CD1 3.38Å
53G91.8Very high93Very high17 Ų1750 Ų5018%0.17529%0.292CS..Hα-helixtrans-60.4-43.5175.600000113.3P51 A57P51-G53 VanDerWaalsContact C-N 3.27Å; P51-G53 PolarHBondContact O-N 3.02Å; P51-G53 VanDerWaalsContact O-N 3.16Å; G53-A57 PolarHBondContact O-N 3.39Å; G53-A57 VanDerWaalsContact O-N 3.17Å
54L93.5Very high92.9Very high97 Ų9749.5 Ų49.551%0.50828%0.282SS..Hα-helixtrans-74.1-33.8176.7-68.4-177.3000112.3L50 P51 W52 A57 T58L50-L54 HydrophobicContact CB-CB 4.24Å; L50-L54 HydrophobicContact CD1-CB 4.41Å; L50-L54 HydrophobicContact CD2-CD1 4.4Å; P51-L54 HydrophobicContact CG-CB 4.1Å; P51-L54 HydrophobicContact CG-CD1 3.78Å; P51-L54 HydrophobicContact CG-CG 3.94Å; P51-L54 PolarHBondContact O-N 3.42Å; W52-L54 PolarHBondContact O-N 3.06Å; L54-A57 PolarHBondContact O-N 3.21Å; L54-T58 VanDerWaalsContact O-CB 3.28Å; L54-T58 WeakPolarHBondContact O-CB 3.45Å; L54-T58 PolarHBondContact O-N 3.39Å; L54-T58 PolarHBondContact O-OG1 3.14Å
55T94.2Very high92.9Very high0 Ų051.3 Ų51.30%029%0.293CS..Hα-helixtrans-58.1-53.3172.4-61.10000110.1L41 V44 H45 L50 P51 W52 A57 T58 T59L41-T55 HydrophobicContact CD2-CG2 4.48Å; L41-T55 VanDerWaalsContact O-CG2 3.3Å; L41-T55 WeakPolarHBondContact O-CG2 3.48Å; V44-T55 HydrophobicContact CB-CG2 4.2Å; V44-T55 HydrophobicContact CG1-CG2 4.03Å; H45-T55 HydrophobicContact CB-CG2 3.76Å; H45-T55 PolarHBondContact ND1-OG1 3.23Å; L50-T55 PolarHBondContact O-OG1 3.04Å; L50-T55 VanDerWaalsContact O-OG1 3.1Å; P51-T55 PolarHBondContact O-N 2.82Å; P51-T55 PolarHBondContact O-OG1 3.45Å; W52-T55 WeakPolarHBondContact O-CB 3.48Å; W52-T55 PolarHBondContact O-N 3.31Å; T55-A57 VanDerWaalsContact C-N 3.29Å; T55-A57 PolarHBondContact O-N 2.93Å; T55-T58 PolarHBondContact O-N 3.35Å; T55-T59 WeakPolarHBondContact O-CB 3.5Å; T55-T59 PolarHBondContact O-N 3.1Å; T55-T59 PolarHBondContact O-OG1 3.27Å
56I94.3Very high93Very high2 Ų253.9 Ų53.91%0.0131%0.312CS..Hα-helixtrans-56.3-46.4178.4-69164.5000110.5L41 W52 A60 I158 I176 A251 I254L41-I56 HydrophobicContact CD2-CG1 4.17Å; W52-I56 VanDerWaalsContact O-CG1 3.26Å; W52-I56 WeakPolarHBondContact O-CG1 3.41Å; W52-I56 PolarHBondContact O-N 3.35Å; I56-A60 WeakPolarHBondContact O-CB 3.17Å; I56-A60 PolarHBondContact O-N 3.06Å; I56-I158 HydrophobicContact CG2-CD1 3.86Å; I56-I176 HydrophobicContact CD1-CD1 4.35Å; I56-A251 HydrophobicContact CD1-CB 3.9Å; I56-I254 HydrophobicContact CG2-CG2 4.3Å
57A95.6Very high92.9Very high15 Ų1550.8 Ų50.812%0.12430%0.297CS..Hα-helixtrans-64.1-44.5-179.800000112.5G53 L54 T55 A60 I61 T258G53-A57 PolarHBondContact O-N 3.39Å; G53-A57 VanDerWaalsContact O-N 3.17Å; L54-A57 PolarHBondContact O-N 3.21Å; T55-A57 VanDerWaalsContact C-N 3.29Å; T55-A57 PolarHBondContact O-N 2.93Å; A57-A60 PolarHBondContact O-N 3.33Å; A57-I61 WeakPolarHBondContact O-CB 3.42Å; A57-I61 VanDerWaalsContact O-CG1 3.25Å; A57-I61 WeakPolarHBondContact O-CG1 3.47Å; A57-I61 PolarHBondContact O-N 2.8Å; A57-T258 HydrophobicContact CB-CG2 3.96Å
58T95.7Very high92.6Very high55 Ų5542.8 Ų42.834%0.33726%0.26SS..Hα-helixtrans-67.5-47.2-178.3-57.30000111V44 L48 L54 T55 A60 I61 L62V44-T58 HydrophobicContact CG1-CG2 4.43Å; L48-T58 HydrophobicContact CD1-CG2 4.27Å; L54-T58 VanDerWaalsContact O-CB 3.28Å; L54-T58 WeakPolarHBondContact O-CB 3.45Å; L54-T58 PolarHBondContact O-N 3.39Å; L54-T58 PolarHBondContact O-OG1 3.14Å; T55-T58 PolarHBondContact O-N 3.35Å; T58-A60 VanDerWaalsContact C-N 3.32Å; T58-A60 PolarHBondContact O-N 2.91Å; T58-I61 PolarHBondContact O-N 3.25Å; T58-L62 WeakPolarHBondContact O-CB 3.08Å; T58-L62 PolarHBondContact O-N 3.38Å
59T95.1Very high92.5Very high2 Ų239.5 Ų39.51%0.01224%0.244CC..Hα-helixtrans-62.3-41.3176.6-54.20000111L40 L41 V44 T55 L62 V63 F154L40-T59 HydrophobicContact CB-CG2 4.23Å; L41-T59 HydrophobicContact CD2-CG2 3.95Å; L41-T59 HydrophobicContact CG-CG2 4.12Å; V44-T59 WeakPolarHBondContact CB-OG1 3.27Å; V44-T59 WeakPolarHBondContact CG1-OG1 3.32Å; V44-T59 WeakPolarHBondContact CG2-OG1 3.35Å; T55-T59 WeakPolarHBondContact O-CB 3.5Å; T55-T59 PolarHBondContact O-N 3.1Å; T55-T59 PolarHBondContact O-OG1 3.27Å; T59-L62 PolarHBondContact O-N 2.8Å; T59-V63 HydrophobicContact CG2-CG2 4.21Å; T59-V63 WeakPolarHBondContact O-CB 3.44Å; T59-V63 VanDerWaalsContact O-CG2 3.3Å; T59-V63 WeakPolarHBondContact O-CG2 3.46Å; T59-V63 PolarHBondContact O-N 3.24Å; T59-F154 HydrophobicContact CG2-CE2 4.12Å; T59-F154 HydrophobicContact CG2-CZ 3.93Å
60A94.4Very high92.6Very high1 Ų140.1 Ų40.11%0.00824%0.237CC..Hα-helixtrans-61.8-46.7175.800000111.6I56 A57 T58 L62 R64 F154 Y255 T258I56-A60 WeakPolarHBondContact O-CB 3.17Å; I56-A60 PolarHBondContact O-N 3.06Å; A57-A60 PolarHBondContact O-N 3.33Å; T58-A60 VanDerWaalsContact C-N 3.32Å; T58-A60 PolarHBondContact O-N 2.91Å; A60-L62 VanDerWaalsContact C-N 3.35Å; A60-L62 PolarHBondContact O-N 2.83Å; A60-R64 WeakPolarHBondContact O-CB 3.31Å; A60-R64 WeakPolarHBondContact O-CG 3.47Å; A60-R64 PolarHBondContact O-N 2.74Å; A60-F154 HydrophobicContact CB-CE1 4.34Å; A60-F154 HydrophobicContact CB-CE2 4.47Å; A60-F154 HydrophobicContact CB-CZ 4Å; A60-Y255 HydrophobicContact CB-CD2 3.71Å; A60-Y255 HydrophobicContact CB-CE2 3.9Å; A60-T258 HydrophobicContact CB-CG2 4.49Å
61I95.8Very high92.6Very high72 Ų7239.7 Ų39.737%0.36923%0.234SC..Hα-helixtrans-61.3-44.5176.9-70.7165.2000110.6A57 T58 T65 T258A57-I61 WeakPolarHBondContact O-CB 3.42Å; A57-I61 VanDerWaalsContact O-CG1 3.25Å; A57-I61 WeakPolarHBondContact O-CG1 3.47Å; A57-I61 PolarHBondContact O-N 2.8Å; T58-I61 PolarHBondContact O-N 3.25Å; I61-T65 WeakPolarHBondContact O-CB 3.49Å; I61-T65 PolarHBondContact O-N 3.48Å; I61-T65 PolarHBondContact O-OG1 3.19Å; I61-T258 HydrophobicContact CD1-CG2 3.92Å; I61-T258 HydrophobicContact CG1-CG2 3.73Å
62L94.6Very high92.5Very high96 Ų9637 Ų3750%0.50321%0.214SC..Hα-helixtrans-62-56-179.9-178.665000111.2T58 T59 A60 R64 T65 V66T58-L62 WeakPolarHBondContact O-CB 3.08Å; T58-L62 PolarHBondContact O-N 3.38Å; T59-L62 PolarHBondContact O-N 2.8Å; A60-L62 VanDerWaalsContact C-N 3.35Å; A60-L62 PolarHBondContact O-N 2.83Å; L62-R64 VanDerWaalsContact C-N 3.34Å; L62-R64 PolarHBondContact O-N 3.2Å; L62-T65 PolarHBondContact O-N 3.47Å; L62-T65 VanDerWaalsContact O-N 3.15Å; L62-V66 HydrophobicContact CD1-CG2 4.4Å; L62-V66 WeakPolarHBondContact O-CG2 3.09Å; L62-V66 PolarHBondContact O-N 2.95Å
63V92.7Very high92.5Very high18 Ų1837.5 Ų37.511%0.10922%0.217CC..Hα-helixtrans-60.3-45.1-178.8172.30000110.6I37 L40 T59 T65 V66 V67 L150 F154I37-V63 HydrophobicContact CD1-CG1 4.34Å; I37-V63 HydrophobicContact CD1-CG2 4.46Å; L40-V63 HydrophobicContact CD1-CG2 4.28Å; T59-V63 HydrophobicContact CG2-CG2 4.21Å; T59-V63 WeakPolarHBondContact O-CB 3.44Å; T59-V63 VanDerWaalsContact O-CG2 3.3Å; T59-V63 WeakPolarHBondContact O-CG2 3.46Å; T59-V63 PolarHBondContact O-N 3.24Å; V63-T65 PolarHBondContact O-N 3.5Å; V63-V66 PolarHBondContact O-N 3.48Å; V63-V67 HydrophobicContact CG1-CG2 4.5Å; V63-V67 WeakPolarHBondContact O-CB 3.47Å; V63-V67 WeakPolarHBondContact O-CG2 3.1Å; V63-V67 PolarHBondContact O-N 3.08Å; V63-L150 HydrophobicContact CG1-CD1 4.08Å; V63-L150 HydrophobicContact CG1-CD2 4.48Å; V63-F154 HydrophobicContact CB-CE2 4.39Å; V63-F154 HydrophobicContact CG2-CE2 4.31Å
64R90.3Very high92.5Very high13 Ų1342.2 Ų42.25%0.04923%0.23CC..Hα-helixtrans-67.5-35.5177.2-69.2-157.3107.180.43.4112.4A60 L62 A68 Y255 S259A60-R64 WeakPolarHBondContact O-CB 3.31Å; A60-R64 WeakPolarHBondContact O-CG 3.47Å; A60-R64 PolarHBondContact O-N 2.74Å; L62-R64 VanDerWaalsContact C-N 3.34Å; L62-R64 PolarHBondContact O-N 3.2Å; R64-A68 VanDerWaalsContact O-CA 3.24Å; R64-A68 WeakPolarHBondContact O-CA 3.3Å; R64-A68 WeakPolarHBondContact O-CB 3.47Å; R64-A68 PolarHBondContact O-N 2.86Å; R64-Y255 PolarHBondContact NH1-OH 2.93Å; R64-S259 WeakPolarHBondContact CD-OG 3.43Å; R64-S259 PolarHBondContact NE-OG 3.33Å; R64-S259 PolarHBondContact NH1-OG 2.87Å
65T93.1Very high92.3Very high56 Ų5638 Ų3834%0.34421%0.21SC..Hα-helixtrans-66.7-46.7177.8-58.80000110.3I61 L62 V63 V69 H262I61-T65 WeakPolarHBondContact O-CB 3.49Å; I61-T65 PolarHBondContact O-N 3.48Å; I61-T65 PolarHBondContact O-OG1 3.19Å; L62-T65 PolarHBondContact O-N 3.47Å; L62-T65 VanDerWaalsContact O-N 3.15Å; V63-T65 PolarHBondContact O-N 3.5Å; T65-V69 HydrophobicContact CG2-CG2 3.91Å; T65-V69 WeakPolarHBondContact O-CB 3.39Å; T65-V69 VanDerWaalsContact O-CG2 3.28Å; T65-V69 WeakPolarHBondContact O-CG2 3.49Å; T65-V69 PolarHBondContact O-N 3.19Å; T65-H262 PolarHBondContact OG1-NE2 2.91Å
66V93.5Very high92.1Very high98 Ų9838.9 Ų38.959%0.59421%0.214SC*.Hα-helixtrans-63.1-46.3179.7173.10000111.8L62 V63 P70L62-V66 HydrophobicContact CD1-CG2 4.4Å; L62-V66 WeakPolarHBondContact O-CG2 3.09Å; L62-V66 PolarHBondContact O-N 2.95Å; V63-V66 PolarHBondContact O-N 3.48Å; V66-P70 VanDerWaalsContact O-CD 3.26Å; V66-P70 WeakPolarHBondContact O-CD 3.43Å; V66-P70 WeakPolarHBondContact O-CG 3.26Å
67V89.9Confident91.9Very high54 Ų5444.4 Ų44.433%0.32724%0.235SC..Hα-helixtrans-83.8-45.3-176.5179.10000112V63 L71 L150V63-V67 HydrophobicContact CG1-CG2 4.5Å; V63-V67 WeakPolarHBondContact O-CB 3.47Å; V63-V67 WeakPolarHBondContact O-CG2 3.1Å; V63-V67 PolarHBondContact O-N 3.08Å; V67-L71 HydrophobicContact CG1-CD1 4.02Å; V67-L71 WeakPolarHBondContact O-CD1 3.45Å; V67-L71 WeakPolarHBondContact O-CG 3.33Å; V67-L150 HydrophobicContact CB-CD2 4.13Å; V67-L150 HydrophobicContact CG1-CD2 3.95Å; V67-L150 HydrophobicContact CG2-CD2 4.49Å
68A87Confident91.7Very high0 Ų044.3 Ų44.30%023%0.232CC..Hα-helixtrans-82.7-34.4-168.300000113R64 L71 Y72 Q147R64-A68 VanDerWaalsContact O-CA 3.24Å; R64-A68 WeakPolarHBondContact O-CA 3.3Å; R64-A68 WeakPolarHBondContact O-CB 3.47Å; R64-A68 PolarHBondContact O-N 2.86Å; A68-L71 CarbonylContact O-C 3.6Å; A68-L71 PolarHBondContact O-N 3.25Å; A68-Y72 HydrophobicContact CB-CD2 3.8Å; A68-Y72 HydrophobicContact CB-CE2 3.43Å; A68-Y72 VanDerWaalsContact CB-CE2 3.43Å; A68-Y72 WeakPolarHBondContact O-CB 3.4Å; A68-Y72 WeakPolarHBondContact O-CD2 3.23Å; A68-Y72 PolarHBondContact O-N 3.4Å; A68-Q147 VanDerWaalsContact CB-NE2 3.29Å
69V89.9Confident91.4Very high32 Ų3244 Ų4419%0.19423%0.227CC..Hα-helixtrans-60.3-48.7-177.6172.40000112.5T65 L71 Y72 I73 I266T65-V69 HydrophobicContact CG2-CG2 3.91Å; T65-V69 WeakPolarHBondContact O-CB 3.39Å; T65-V69 VanDerWaalsContact O-CG2 3.28Å; T65-V69 WeakPolarHBondContact O-CG2 3.49Å; T65-V69 PolarHBondContact O-N 3.19Å; V69-L71 VanDerWaalsContact C-N 3.31Å; V69-L71 PolarHBondContact O-N 3.26Å; V69-Y72 PolarHBondContact O-N 3.49Å; V69-I73 HydrophobicContact CG1-CD1 3.79Å; V69-I73 HydrophobicContact CG1-CG1 4.43Å; V69-I73 WeakPolarHBondContact O-CG1 3.19Å; V69-I73 PolarHBondContact O-N 3.38Å; V69-I266 HydrophobicContact CG2-CD1 4.03Å
70P91Very high91.2Very high77 Ų7744.2 Ų44.250%0.523%0.229SC..Hα-helixtrans-60.6-40.4176.2-23.534.7000112.7V66 I73 Y74V66-P70 VanDerWaalsContact O-CD 3.26Å; V66-P70 WeakPolarHBondContact O-CD 3.43Å; V66-P70 WeakPolarHBondContact O-CG 3.26Å; P70-I73 PolarHBondContact O-N 3.4Å; P70-Y74 PolarHBondContact O-N 3.41Å
71L90.7Very high91Very high37 Ų3748.3 Ų48.319%0.19425%0.246CC..Hα-helixtrans-65.7-37.9177-67.8173.8000112.1V67 A68 V69 A75 T143 I146V67-L71 HydrophobicContact CG1-CD1 4.02Å; V67-L71 WeakPolarHBondContact O-CD1 3.45Å; V67-L71 WeakPolarHBondContact O-CG 3.33Å; A68-L71 CarbonylContact O-C 3.6Å; A68-L71 PolarHBondContact O-N 3.25Å; V69-L71 VanDerWaalsContact C-N 3.31Å; V69-L71 PolarHBondContact O-N 3.26Å; L71-A75 WeakPolarHBondContact O-CB 3.42Å; L71-A75 PolarHBondContact O-N 3.05Å; L71-T143 HydrophobicContact CB-CG2 3.98Å; L71-T143 PolarHBondContact O-OG1 3.01Å; L71-I146 HydrophobicContact CD1-CB 4.21Å; L71-I146 HydrophobicContact CD1-CD1 4.26Å; L71-I146 HydrophobicContact CD1-CG2 3.72Å; L71-I146 HydrophobicContact CD2-CD1 3.91Å
72Y88.8Confident90.8Very high23 Ų2345.3 Ų45.39%0.0923%0.231CC..Hα-helixtrans-66.2-46.5174.6-78.4-55000111A68 V69 Y74 A75 E76 T143 Q263 I266 H267A68-Y72 HydrophobicContact CB-CD2 3.8Å; A68-Y72 HydrophobicContact CB-CE2 3.43Å; A68-Y72 VanDerWaalsContact CB-CE2 3.43Å; A68-Y72 WeakPolarHBondContact O-CB 3.4Å; A68-Y72 WeakPolarHBondContact O-CD2 3.23Å; A68-Y72 PolarHBondContact O-N 3.4Å; V69-Y72 PolarHBondContact O-N 3.49Å; Y72-Y74 VanDerWaalsContact C-N 3.31Å; Y72-Y74 PolarHBondContact O-N 3.24Å; Y72-A75 PolarHBondContact O-N 2.76Å; Y72-E76 VanDerWaalsContact O-CB 3.3Å; Y72-E76 WeakPolarHBondContact O-CB 3.13Å; Y72-E76 WeakPolarHBondContact O-CG 3.33Å; Y72-E76 PolarHBondContact O-N 3.23Å; Y72-T143 HydrophobicContact CD1-CG2 3.93Å; Y72-T143 HydrophobicContact CE1-CG2 3.55Å; Y72-Q263 VanDerWaalsContact CE2-NE2 3.25Å; Y72-Q263 VanDerWaalsContact CE2-OE1 3.25Å; Y72-Q263 PolarHBondContact OH-NE2 3.04Å; Y72-Q263 PolarHBondContact OH-OE1 3.03Å; Y72-I266 HydrophobicContact CD2-CG2 3.75Å; Y72-I266 HydrophobicContact CE2-CG2 4.42Å; Y72-I266 HydrophobicContact CG-CG2 4.23Å; Y72-H267 AromaticContact CE1-NE2 3.69Å
73I91Very high90.6Very high22 Ų2240.9 Ų40.911%0.11321%0.209CC..Hα-helixtrans-57.8-45.7176.7-67.8165.3000110.6V69 P70 E76 R77 I270 F279 L281V69-I73 HydrophobicContact CG1-CD1 3.79Å; V69-I73 HydrophobicContact CG1-CG1 4.43Å; V69-I73 WeakPolarHBondContact O-CG1 3.19Å; V69-I73 PolarHBondContact O-N 3.38Å; P70-I73 PolarHBondContact O-N 3.4Å; I73-E76 PolarHBondContact O-N 2.98Å; I73-R77 WeakPolarHBondContact O-CG 3.3Å; I73-R77 PolarHBondContact O-N 3.5Å; I73-I270 HydrophobicContact CG1-CD1 4.15Å; I73-F279 HydrophobicContact CD1-CB 4.47Å; I73-F279 HydrophobicContact CD1-CD1 3.52Å; I73-F279 HydrophobicContact CD1-CD2 4.28Å; I73-F279 HydrophobicContact CD1-CE1 3.71Å; I73-F279 HydrophobicContact CD1-CE2 4.45Å; I73-F279 HydrophobicContact CD1-CG 3.84Å; I73-F279 HydrophobicContact CD1-CZ 4.18Å; I73-F279 HydrophobicContact CG1-CD1 4.39Å; I73-F279 HydrophobicContact CG1-CG 4.23Å; I73-F279 HydrophobicContact CG2-CB 4.37Å; I73-L281 HydrophobicContact CG2-CD2 4.08Å
74Y90.8Very high90.4Very high116 Ų11644.8 Ų44.846%0.45523%0.225SC..Hα-helixtrans-61.3-48.5176.6175.5-97.4000112.3P70 Y72 E76 R77 N78P70-Y74 PolarHBondContact O-N 3.41Å; Y72-Y74 VanDerWaalsContact C-N 3.31Å; Y72-Y74 PolarHBondContact O-N 3.24Å; Y74-E76 VanDerWaalsContact C-N 3.3Å; Y74-E76 PolarHBondContact O-N 3.48Å; Y74-R77 PolarHBondContact O-N 2.92Å; Y74-N78 PolarHBondContact O-N 3.19Å; Y74-N78 VanDerWaalsContact O-N 3.14Å
75A90.7Very high90.5Very high9 Ų944.4 Ų44.47%0.07422%0.224CC..Hα-helixtrans-61.4-39.3178.900000112.2L71 Y72 N78 Q79 S140 T143L71-A75 WeakPolarHBondContact O-CB 3.42Å; L71-A75 PolarHBondContact O-N 3.05Å; Y72-A75 PolarHBondContact O-N 2.76Å; A75-N78 PolarHBondContact O-N 3.4Å; A75-Q79 WeakPolarHBondContact O-CB 3.44Å; A75-Q79 PolarHBondContact O-N 3Å; A75-S140 PolarHBondContact O-OG 3.37Å; A75-T143 WeakPolarHBondContact CB-OG1 3.41Å
76E89.9Confident90.3Very high19 Ų1942.4 Ų42.49%0.08921%0.213CC..Hα-helixtrans-66.2-42.7177.3-75.5-60.6142.600112.3Y72 I73 Y74 N78 Q79 A80 R208 I270 L281Y72-E76 VanDerWaalsContact O-CB 3.3Å; Y72-E76 WeakPolarHBondContact O-CB 3.13Å; Y72-E76 WeakPolarHBondContact O-CG 3.33Å; Y72-E76 PolarHBondContact O-N 3.23Å; I73-E76 PolarHBondContact O-N 2.98Å; Y74-E76 VanDerWaalsContact C-N 3.3Å; Y74-E76 PolarHBondContact O-N 3.48Å; E76-N78 VanDerWaalsContact C-N 3.35Å; E76-N78 PolarHBondContact O-N 3.46Å; E76-Q79 PolarHBondContact O-N 3.44Å; E76-A80 WeakPolarHBondContact O-CB 3.34Å; E76-A80 PolarHBondContact O-N 3.21Å; E76-R208 IonicContact OE1-CZ 3.6Å; E76-R208 IonicContact OE1-NH1 3.46Å; E76-R208 PolarHBondContact OE1-NH1 2.84Å; E76-R208 IonicContact OE1-NH2 2.75Å; E76-R208 PolarHBondContact OE1-NH2 3.2Å; E76-R208 IonicContact OE2-CZ 2.72Å; E76-R208 IonicContact OE2-NH1 2.66Å; E76-R208 PolarHBondContact OE2-NH1 3.31Å; E76-R208 IonicContact OE2-NH2 3.49Å; E76-R208 PolarHBondContact OE2-NH2 3.18Å; E76-I270 HydrophobicContact CB-CD1 4.5Å; E76-I270 HydrophobicContact CG-CD1 3.76Å; E76-I270 HydrophobicContact CG-CG1 4.19Å; E76-I270 HydrophobicContact CG-CG2 4.08Å; E76-L281 HydrophobicContact CB-CD1 4.26Å; E76-L281 HydrophobicContact CB-CD2 4.05Å
77R90.2Very high90.1Very high118 Ų11839.5 Ų39.545%0.44519%0.194SC..Hα-helixtrans-59.2-46.8175-73.3-179.9177.1172.6-0.8111.6I73 Y74 K81 F279 L281I73-R77 WeakPolarHBondContact O-CG 3.3Å; I73-R77 PolarHBondContact O-N 3.5Å; Y74-R77 PolarHBondContact O-N 2.92Å; R77-K81 PolarHBondContact O-N 3.22Å; R77-F279 PolarHBondContact NE-O 2.84Å; R77-F279 PolarHBondContact NH2-O 3.38Å; R77-L281 HydrophobicContact CB-CD2 4.46Å; R77-L281 HydrophobicContact CG-CD2 3.38Å
78N90.9Very high90.1Very high12 Ų1241 Ų416%0.06420%0.197CC..Hα-helixtrans-66.3-42.2177.218077.9000111.1Y74 A75 E76 A80 K81 V82 C135 H136 S140Y74-N78 PolarHBondContact O-N 3.19Å; Y74-N78 VanDerWaalsContact O-N 3.14Å; A75-N78 PolarHBondContact O-N 3.4Å; E76-N78 VanDerWaalsContact C-N 3.35Å; E76-N78 PolarHBondContact O-N 3.46Å; N78-A80 VanDerWaalsContact C-N 3.3Å; N78-A80 PolarHBondContact O-N 3.31Å; N78-K81 PolarHBondContact O-N 3.05Å; N78-V82 VanDerWaalsContact O-CG2 3.28Å; N78-V82 WeakPolarHBondContact O-CG2 3.29Å; N78-V82 PolarHBondContact O-N 3.32Å; N78-C135 WeakPolarHBondContact OD1-CA 3.49Å; N78-C135 WeakPolarHBondContact OD1-CB 3.39Å; N78-H136 PolarHBondContact ND2-O 2.91Å; N78-H136 PolarHBondContact OD1-N 2.94Å; N78-S140 PolarHBondContact ND2-N 3.45Å; N78-S140 PolarHBondContact ND2-OG 2.81Å
79Q89.8Confident90.1Very high49 Ų4941 Ų4123%0.22920%0.198CC..Hα-helixtrans-63-37.5179.5-174.561.524.100111.9A75 E76 V82 S83 S140A75-Q79 WeakPolarHBondContact O-CB 3.44Å; A75-Q79 PolarHBondContact O-N 3Å; E76-Q79 PolarHBondContact O-N 3.44Å; Q79-V82 PolarHBondContact O-N 3.15Å; Q79-S83 WeakPolarHBondContact O-CB 3.35Å; Q79-S83 PolarHBondContact O-N 3.23Å; Q79-S83 PolarHBondContact O-OG 2.91Å; Q79-S140 PolarHBondContact N-OG 3.01Å
80A89.6Confident90Very high6 Ų641.2 Ų41.25%0.0520%0.197CC..Hα-helixtrans-62.6-46.1175.700000111.4E76 N78 S83 H84 W282 I284E76-A80 WeakPolarHBondContact O-CB 3.34Å; E76-A80 PolarHBondContact O-N 3.21Å; N78-A80 VanDerWaalsContact C-N 3.3Å; N78-A80 PolarHBondContact O-N 3.31Å; A80-S83 PolarHBondContact O-N 3.22Å; A80-S83 PolarHBondContact O-OG 3.31Å; A80-H84 PolarHBondContact O-N 2.67Å; A80-W282 HydrophobicContact CB-CB 3.9Å; A80-I284 HydrophobicContact CB-CG1 4.33Å
81K90.7Very high89.7Confident88 Ų8844 Ų4438%0.38320%0.203SC..Hα-helixtrans-60.1-48.4175.2-69.1-176.1176.8-169.80112.1R77 N78 S83 H84 I85 C135R77-K81 PolarHBondContact O-N 3.22Å; N78-K81 PolarHBondContact O-N 3.05Å; K81-S83 PolarHBondContact O-N 2.96Å; K81-H84 WeakPolarHBondContact O-CB 3.2Å; K81-H84 PolarHBondContact O-N 3.44Å; K81-H84 VanDerWaalsContact O-N 3.15Å; K81-I85 WeakPolarHBondContact O-CG1 3.46Å; K81-I85 PolarHBondContact O-N 3.02Å; K81-I85 VanDerWaalsContact O-N 3.1Å; K81-C135 HydrophobicContact CB-CB 3.93Å; K81-C135 HydrophobicContact CD-CB 4.19Å
82V91.4Very high89.5Confident8 Ų844.8 Ų44.85%0.04821%0.207CC..Hα-helixtrans-59.7-38.4177.8174.30000110.8N78 Q79 A86 F126 C135N78-V82 VanDerWaalsContact O-CG2 3.28Å; N78-V82 WeakPolarHBondContact O-CG2 3.29Å; N78-V82 PolarHBondContact O-N 3.32Å; Q79-V82 PolarHBondContact O-N 3.15Å; V82-A86 VanDerWaalsContact O-CB 3.3Å; V82-A86 WeakPolarHBondContact O-CB 3.47Å; V82-A86 PolarHBondContact O-N 2.9Å; V82-F126 HydrophobicContact CG1-CE2 4.47Å; V82-F126 HydrophobicContact CG1-CZ 3.72Å; V82-C135 HydrophobicContact CG2-CB 4.1Å
83S89.7Confident89.3Confident4 Ų445.7 Ų45.73%0.02821%0.21CC..Hα-helixtrans-67.4-36.8177.677.40000113.1Q79 A80 K81 A86 I87Q79-S83 WeakPolarHBondContact O-CB 3.35Å; Q79-S83 PolarHBondContact O-N 3.23Å; Q79-S83 PolarHBondContact O-OG 2.91Å; A80-S83 PolarHBondContact O-N 3.22Å; A80-S83 PolarHBondContact O-OG 3.31Å; K81-S83 PolarHBondContact O-N 2.96Å; S83-A86 PolarHBondContact O-N 3.12Å; S83-I87 WeakPolarHBondContact O-CG1 3.36Å; S83-I87 PolarHBondContact O-N 3.46Å; S83-I87 VanDerWaalsContact O-N 3.14Å
84H90Very high89Confident99 Ų9950.1 Ų50.146%0.45823%0.231SC..Hα-helixtrans-64.5-49.6176.7-170.7-77.4000111.1A80 K81 A86 I87 E88 P285A80-H84 PolarHBondContact O-N 2.67Å; K81-H84 WeakPolarHBondContact O-CB 3.2Å; K81-H84 PolarHBondContact O-N 3.44Å; K81-H84 VanDerWaalsContact O-N 3.15Å; H84-A86 VanDerWaalsContact C-N 3.29Å; H84-A86 PolarHBondContact O-N 3.12Å; H84-I87 PolarHBondContact O-N 3.28Å; H84-E88 PolarHBondContact O-N 3.47Å; H84-P285 HydrophobicContact CB-CG 4.25Å
85I91.4Very high88.8Confident6 Ų649.9 Ų49.93%0.03124%0.235CC..Hα-helixtrans-61.7-40.1176.9-64.1171.2000110.7K81 I87 E88 C89 F126 T129 N133 C135K81-I85 WeakPolarHBondContact O-CG1 3.46Å; K81-I85 PolarHBondContact O-N 3.02Å; K81-I85 VanDerWaalsContact O-N 3.1Å; I85-I87 VanDerWaalsContact C-N 3.29Å; I85-I87 PolarHBondContact O-N 3.43Å; I85-E88 PolarHBondContact O-N 2.91Å; I85-C89 VanDerWaalsContact O-CB 3.32Å; I85-C89 WeakPolarHBondContact O-CB 3.4Å; I85-C89 PolarHBondContact O-N 2.68Å; I85-C89 PolarHBondContact O-SG 3.5Å; I85-F126 HydrophobicContact CG2-CD2 4Å; I85-F126 HydrophobicContact CG2-CE2 4.09Å; I85-T129 HydrophobicContact CG2-CG2 3.63Å; I85-N133 HydrophobicContact CD1-CB 3.68Å; I85-C135 WeakPolarHBondContact CD1-SG 3.22Å
86A90.2Very high88.5Confident13 Ų1351.9 Ų51.911%0.10724%0.244CC..Hα-helixtrans-61-39.4178.600000112.2V82 S83 H84 Q90 F126 F212V82-A86 VanDerWaalsContact O-CB 3.3Å; V82-A86 WeakPolarHBondContact O-CB 3.47Å; V82-A86 PolarHBondContact O-N 2.9Å; S83-A86 PolarHBondContact O-N 3.12Å; H84-A86 VanDerWaalsContact C-N 3.29Å; H84-A86 PolarHBondContact O-N 3.12Å; A86-Q90 VanDerWaalsContact O-CB 3.27Å; A86-Q90 WeakPolarHBondContact O-CB 3.28Å; A86-Q90 PolarHBondContact O-N 2.86Å; A86-F126 HydrophobicContact CB-CD2 4.46Å; A86-F126 HydrophobicContact CB-CE2 3.68Å; A86-F126 HydrophobicContact CB-CZ 4.34Å; A86-F212 HydrophobicContact CB-CZ 3.94Å
87I88.9Confident88.4Confident37 Ų3753.9 Ų53.919%0.1925%0.253CS..Hα-helixtrans-68.4-47176.9-68.6167.4000110.8S83 H84 I85 Q90 Q91 P210 F212 P285S83-I87 WeakPolarHBondContact O-CG1 3.36Å; S83-I87 PolarHBondContact O-N 3.46Å; S83-I87 VanDerWaalsContact O-N 3.14Å; H84-I87 PolarHBondContact O-N 3.28Å; I85-I87 VanDerWaalsContact C-N 3.29Å; I85-I87 PolarHBondContact O-N 3.43Å; I87-Q90 PolarHBondContact O-N 3.03Å; I87-Q91 WeakPolarHBondContact O-CG 3.36Å; I87-Q91 PolarHBondContact O-N 2.86Å; I87-P210 HydrophobicContact CD1-CB 4.43Å; I87-P210 HydrophobicContact CG1-CB 4.24Å; I87-F212 HydrophobicContact CG1-CE1 4.14Å; I87-P285 HydrophobicContact CD1-CB 3.74Å; I87-P285 HydrophobicContact CD1-CG 3.99Å
88E88.7Confident88.2Confident85 Ų8550.8 Ų50.840%0.39725%0.253SS..Hα-helixtrans-61.7-47.3178.5-173.7-176.4167.700112H84 I85 Q90 Q91 N92H84-E88 PolarHBondContact O-N 3.47Å; I85-E88 PolarHBondContact O-N 2.91Å; E88-Q90 VanDerWaalsContact C-N 3.28Å; E88-Q90 PolarHBondContact O-N 3.15Å; E88-Q91 PolarHBondContact O-N 3.47Å; E88-N92 PolarHBondContact O-N 3.1Å; E88-N92 PolarHBondContact O-ND2 3.43Å
89C88.5Confident88.1Confident2 Ų258.1 Ų58.11%0.01428%0.284CS..Hα-helixtrans-58.1-42.4174.4-68.80000111.1I85 N92 R93 F122 F125I85-C89 VanDerWaalsContact O-CB 3.32Å; I85-C89 WeakPolarHBondContact O-CB 3.4Å; I85-C89 PolarHBondContact O-N 2.68Å; I85-C89 PolarHBondContact O-SG 3.5Å; C89-N92 CarbonylContact O-C 3.59Å; C89-N92 PolarHBondContact O-N 3.37Å; C89-R93 PolarHBondContact O-N 3.02Å; C89-F122 HydrophobicContact CB-CE2 3.95Å; C89-F122 HydrophobicContact CB-CZ 3.88Å; C89-F122 WeakPolarHBondContact O-CE2 3.39Å; C89-F125 HydrophobicContact CB-CD1 4.41Å; C89-F125 HydrophobicContact CB-CE1 4.4Å
90Q87.3Confident88Confident36 Ų3657 Ų5717%0.16828%0.28CS..Hα-helixtrans-66.1-38.6-179.9-178.1692.100112.4A86 I87 E88 N92 R93 F212A86-Q90 VanDerWaalsContact O-CB 3.27Å; A86-Q90 WeakPolarHBondContact O-CB 3.28Å; A86-Q90 PolarHBondContact O-N 2.86Å; I87-Q90 PolarHBondContact O-N 3.03Å; E88-Q90 VanDerWaalsContact C-N 3.28Å; E88-Q90 PolarHBondContact O-N 3.15Å; Q90-N92 VanDerWaalsContact C-N 3.31Å; Q90-R93 WeakPolarHBondContact O-CB 3.33Å; Q90-R93 PolarHBondContact O-N 3.37Å; Q90-F212 HydrophobicContact CB-CD1 3.86Å; Q90-F212 HydrophobicContact CB-CE1 3.79Å; Q90-F212 HydrophobicContact CG-CB 4.28Å; Q90-F212 HydrophobicContact CG-CD1 3.53Å; Q90-F212 HydrophobicContact CG-CE1 4.02Å; Q90-F212 HydrophobicContact CG-CG 4.01Å
91Q84.9Confident87.9Confident135 Ų13559.1 Ų59.163%0.63129%0.294SS*.Hα-helixtrans-62.6-40.8174.2-72.1172.3-18.900111.1I87 E88 R93I87-Q91 WeakPolarHBondContact O-CG 3.36Å; I87-Q91 PolarHBondContact O-N 2.86Å; E88-Q91 PolarHBondContact O-N 3.47Å; Q91-R93 VanDerWaalsContact C-N 3.25Å; Q91-R93 PolarHBondContact O-N 2.97Å
92N86Confident87.9Confident53 Ų5360.3 Ų60.328%0.28331%0.305SS..Hα-helixtrans-76.7-8.5178.2-68-24.9000114E88 C89 Q90 Q94 M95 I96E88-N92 PolarHBondContact O-N 3.1Å; E88-N92 PolarHBondContact O-ND2 3.43Å; C89-N92 CarbonylContact O-C 3.59Å; C89-N92 PolarHBondContact O-N 3.37Å; Q90-N92 VanDerWaalsContact C-N 3.31Å; N92-Q94 VanDerWaalsContact C-N 3.31Å; N92-Q94 PolarHBondContact O-N 2.86Å; N92-M95 HydrophobicContact CB-CE 3.94Å; N92-M95 PolarHBondContact O-N 2.84Å; N92-M95 VanDerWaalsContact O-N 3.16Å; N92-M95 WeakPolarHBondContact OD1-CE 3.46Å; N92-I96 PolarHBondContact O-N 3.21Å
93R85.4Confident87.8Confident42 Ų4261.9 Ų61.916%0.15832%0.318CS..Hα-helixtrans-59.6-38.9-174.9-171174.3176.5-168.6-0.2113.1C89 Q90 Q91 M95 I96 Q97 N119 F122C89-R93 PolarHBondContact O-N 3.02Å; Q90-R93 WeakPolarHBondContact O-CB 3.33Å; Q90-R93 PolarHBondContact O-N 3.37Å; Q91-R93 VanDerWaalsContact C-N 3.25Å; Q91-R93 PolarHBondContact O-N 2.97Å; R93-M95 VanDerWaalsContact C-N 3.32Å; R93-M95 PolarHBondContact O-N 3.44Å; R93-I96 PolarHBondContact O-N 3.03Å; R93-Q97 HydrophobicContact CG-CG 4.5Å; R93-Q97 WeakPolarHBondContact O-CG 3.42Å; R93-Q97 PolarHBondContact O-N 2.86Å; R93-N119 PolarHBondContact NH2-OD1 3.39Å; R93-F122 HydrophobicContact CB-CD2 4.34Å; R93-F122 HydrophobicContact CB-CE2 3.98Å; R93-F122 HydrophobicContact CG-CD2 3.94Å; R93-F122 HydrophobicContact CG-CE2 4.01Å
94Q85Confident87.7Confident116 Ų11668.9 Ų68.954%0.54235%0.35SS..Hα-helixtrans-62.7-40.5179.3-65.2-179.1600111.8N92 I96 Q97 A98N92-Q94 VanDerWaalsContact C-N 3.31Å; N92-Q94 PolarHBondContact O-N 2.86Å; Q94-I96 VanDerWaalsContact C-N 3.33Å; Q94-I96 PolarHBondContact O-N 3.41Å; Q94-Q97 PolarHBondContact O-N 3.29Å; Q94-A98 PolarHBondContact O-N 2.87Å
95M85.3Confident87.7Confident111 Ų11171.8 Ų71.855%0.54736%0.358SS..Hα-helixtrans-65.3-38.7176.7-64.9-171.5-7600111.6N92 R93 A98 K99N92-M95 HydrophobicContact CB-CE 3.94Å; N92-M95 PolarHBondContact O-N 2.84Å; N92-M95 VanDerWaalsContact O-N 3.16Å; N92-M95 WeakPolarHBondContact OD1-CE 3.46Å; R93-M95 VanDerWaalsContact C-N 3.32Å; R93-M95 PolarHBondContact O-N 3.44Å; M95-A98 PolarHBondContact O-N 2.94Å; M95-K99 WeakPolarHBondContact O-CG 3.39Å; M95-K99 PolarHBondContact O-N 3.23Å
96I85.2Confident87.6Confident51 Ų5172.4 Ų72.426%0.26236%0.361SS..Hα-helixtrans-64.6-44.1175.7-62.6170000110.5N92 R93 Q94 A98 K99 L100 F125N92-I96 PolarHBondContact O-N 3.21Å; R93-I96 PolarHBondContact O-N 3.03Å; Q94-I96 VanDerWaalsContact C-N 3.33Å; Q94-I96 PolarHBondContact O-N 3.41Å; I96-A98 PolarHBondContact O-N 3.43Å; I96-K99 PolarHBondContact O-N 2.78Å; I96-L100 WeakPolarHBondContact O-CB 3.43Å; I96-L100 PolarHBondContact O-N 2.84Å; I96-F125 HydrophobicContact CD1-CD1 4.1Å; I96-F125 HydrophobicContact CD1-CE1 4.27Å; I96-F125 HydrophobicContact CD1-CG 4.44Å
97Q87Confident87.5Confident61 Ų6179.3 Ų79.329%0.28538%0.384SS..Hα-helixtrans-62.3-41.8176.5-72180-31.800111.8R93 Q94 L100 S101 E118R93-Q97 HydrophobicContact CG-CG 4.5Å; R93-Q97 WeakPolarHBondContact O-CG 3.42Å; R93-Q97 PolarHBondContact O-N 2.86Å; Q94-Q97 PolarHBondContact O-N 3.29Å; Q97-L100 PolarHBondContact O-N 3.28Å; Q97-S101 WeakPolarHBondContact O-CB 3.22Å; Q97-S101 PolarHBondContact O-N 3.25Å; Q97-E118 WeakPolarHBondContact CG-OE1 3.48Å; Q97-E118 PolarHBondContact NE2-OE2 3.14Å
98A87.3Confident87.6Confident53 Ų5383.5 Ų83.544%0.43841%0.407SS..Hα-helixtrans-60.4-46.7175.400000111.6Q94 M95 I96 L100 S101 N102Q94-A98 PolarHBondContact O-N 2.87Å; M95-A98 PolarHBondContact O-N 2.94Å; I96-A98 PolarHBondContact O-N 3.43Å; A98-L100 VanDerWaalsContact C-N 3.33Å; A98-L100 PolarHBondContact O-N 3.14Å; A98-S101 PolarHBondContact O-N 3.34Å; A98-S101 PolarHBondContact O-OG 3.06Å; A98-N102 PolarHBondContact O-N 3.36Å
99K87.8Confident87.7Confident165 Ų16580.6 Ų80.672%0.71739%0.394SS*.Hα-helixtrans-60.6-41.2175-71.2-178.7-178-176.20112.4M95 I96 S101 N102M95-K99 WeakPolarHBondContact O-CG 3.39Å; M95-K99 PolarHBondContact O-N 3.23Å; I96-K99 PolarHBondContact O-N 2.78Å; K99-S101 VanDerWaalsContact C-N 3.35Å; K99-N102 PolarHBondContact O-N 2.79Å
100L88.2Confident87.8Confident27 Ų2783.7 Ų83.714%0.14142%0.415CS..Hα-helixtrans-68.2-35.4179.7-168.264.5000111.9I96 Q97 A98 N102 A103 Y106 E118 L121I96-L100 WeakPolarHBondContact O-CB 3.43Å; I96-L100 PolarHBondContact O-N 2.84Å; Q97-L100 PolarHBondContact O-N 3.28Å; A98-L100 VanDerWaalsContact C-N 3.33Å; A98-L100 PolarHBondContact O-N 3.14Å; L100-N102 PolarHBondContact O-N 2.88Å; L100-N102 VanDerWaalsContact O-N 3.17Å; L100-A103 WeakPolarHBondContact O-CB 3.33Å; L100-A103 PolarHBondContact O-N 3.37Å; L100-Y106 HydrophobicContact CD1-CD2 4.15Å; L100-Y106 HydrophobicContact CD1-CG 4.42Å; L100-Y106 HydrophobicContact CD2-CD2 3.46Å; L100-Y106 VanDerWaalsContact CD2-CD2 3.46Å; L100-Y106 HydrophobicContact CD2-CE2 3.37Å; L100-Y106 HydrophobicContact CD2-CG 4.24Å; L100-Y106 HydrophobicContact CG-CD1 4.33Å; L100-Y106 HydrophobicContact CG-CD2 3.43Å; L100-Y106 VanDerWaalsContact CG-CD2 3.43Å; L100-Y106 HydrophobicContact CG-CE2 3.79Å; L100-Y106 HydrophobicContact CG-CG 3.71Å; L100-Y106 WeakPolarHBondContact O-CB 3.37Å; L100-Y106 WeakPolarHBondContact O-CD1 3.4Å; L100-E118 HydrophobicContact CD2-CG 3.69Å; L100-L121 HydrophobicContact CD1-CD1 3.91Å; L100-L121 HydrophobicContact CD2-CD1 4.05Å
101S87.3Confident87.9Confident49 Ų4987.8 Ų87.834%0.34344%0.438SS..Hα-helixtrans-64-17.5175.675.80000114.1Q97 A98 K99 R107Q97-S101 WeakPolarHBondContact O-CB 3.22Å; Q97-S101 PolarHBondContact O-N 3.25Å; A98-S101 PolarHBondContact O-N 3.34Å; A98-S101 PolarHBondContact O-OG 3.06Å; K99-S101 VanDerWaalsContact C-N 3.35Å; S101-R107 PolarHBondContact O-NE 3.2Å; S101-R107 PolarHBondContact O-NH2 2.87Å
102N89.5Confident88.2Confident114 Ų11489.6 Ų89.661%0.6144%0.444SS*.THydrogen-bonded Turntrans-85.3-14173.1-68.1-21.6000113.5A98 K99 L100A98-N102 PolarHBondContact O-N 3.36Å; K99-N102 PolarHBondContact O-N 2.79Å; L100-N102 PolarHBondContact O-N 2.88Å; L100-N102 VanDerWaalsContact O-N 3.17Å
103A89.1Confident88.4Confident40 Ų4093.3 Ų93.333%0.33146%0.458SS..  trans-77.3127.2177.700000110.9L100 Y105 Y106 R107L100-A103 WeakPolarHBondContact O-CB 3.33Å; L100-A103 PolarHBondContact O-N 3.37Å; A103-Y105 VanDerWaalsContact C-N 3.32Å; A103-Y105 PolarHBondContact O-N 2.91Å; A103-Y106 WeakPolarHBondContact O-CB 3.28Å; A103-Y106 PolarHBondContact O-N 3.32Å; A103-R107 PolarHBondContact O-N 3.33Å
104E88.1Confident88.6Confident151 Ų15192.9 Ų92.971%0.70646%0.458SS*.Hα-helixtrans-56.8-44.5179.6-172.7-178.7176.900112.3Y106 R107 N108E104-Y106 PolarHBondContact O-N 3.07Å; E104-R107 PolarHBondContact O-N 3.17Å; E104-R107 VanDerWaalsContact O-N 3.1Å; E104-N108 PolarHBondContact O-N 3.12Å; E104-N108 VanDerWaalsContact O-N 3.14Å
105Y89.8Confident88.7Confident160 Ų16092.1 Ų92.163%0.62746%0.457SS*.Hα-helixtrans-54.3-41175.2176.6-98.9000112.4A103 N108 I109 L117A103-Y105 VanDerWaalsContact C-N 3.32Å; A103-Y105 PolarHBondContact O-N 2.91Å; Y105-N108 PolarHBondContact O-N 3.45Å; Y105-I109 HydrophobicContact CE1-CD1 4.33Å; Y105-I109 HydrophobicContact CE1-CG2 4.19Å; Y105-I109 HydrophobicContact CE2-CG2 4.17Å; Y105-I109 PolarHBondContact O-N 2.62Å; Y105-L117 HydrophobicContact CD1-CD2 4.28Å; Y105-L117 HydrophobicContact CE1-CD2 3.96Å
106Y89.4Confident88.9Confident20 Ų2092 Ų928%0.07846%0.457CS..Hα-helixtrans-67.8-36.4-179.3-176.1-101.5000112.3L100 A103 E104 N108 I109 Q114 L117 E118L100-Y106 HydrophobicContact CD1-CD2 4.15Å; L100-Y106 HydrophobicContact CD1-CG 4.42Å; L100-Y106 HydrophobicContact CD2-CD2 3.46Å; L100-Y106 VanDerWaalsContact CD2-CD2 3.46Å; L100-Y106 HydrophobicContact CD2-CE2 3.37Å; L100-Y106 HydrophobicContact CD2-CG 4.24Å; L100-Y106 HydrophobicContact CG-CD1 4.33Å; L100-Y106 HydrophobicContact CG-CD2 3.43Å; L100-Y106 VanDerWaalsContact CG-CD2 3.43Å; L100-Y106 HydrophobicContact CG-CE2 3.79Å; L100-Y106 HydrophobicContact CG-CG 3.71Å; L100-Y106 WeakPolarHBondContact O-CB 3.37Å; L100-Y106 WeakPolarHBondContact O-CD1 3.4Å; A103-Y106 WeakPolarHBondContact O-CB 3.28Å; A103-Y106 PolarHBondContact O-N 3.32Å; E104-Y106 PolarHBondContact O-N 3.07Å; Y106-N108 VanDerWaalsContact C-N 3.34Å; Y106-I109 HydrophobicContact CD2-CD1 4.12Å; Y106-I109 WeakPolarHBondContact O-CG1 3.39Å; Y106-Q114 HydrophobicContact CD1-CG 4.49Å; Y106-Q114 HydrophobicContact CD2-CB 4.34Å; Y106-Q114 HydrophobicContact CD2-CG 3.98Å; Y106-Q114 HydrophobicContact CE1-CG 4.15Å; Y106-Q114 HydrophobicContact CE2-CB 3.5Å; Y106-Q114 HydrophobicContact CE2-CG 3.57Å; Y106-Q114 HydrophobicContact CG-CG 4.44Å; Y106-Q114 PolarHBondContact O-NE2 2.92Å; Y106-Q114 WeakPolarHBondContact OH-CB 3.5Å; Y106-L117 HydrophobicContact CD2-CD2 4.16Å; Y106-E118 HydrophobicContact CE2-CG 4.09Å; Y106-E118 PolarHBondContact OH-OE1 3.39Å
107R87.8Confident89.1Confident158 Ų15891.4 Ų91.460%0.59646%0.455SS*.Hα-helixtrans-69.2-33177.6-64.8-179.6-176.9170.8-0.4112.4S101 A103 E104S101-R107 PolarHBondContact O-NE 3.2Å; S101-R107 PolarHBondContact O-NH2 2.87Å; A103-R107 PolarHBondContact O-N 3.33Å; E104-R107 PolarHBondContact O-N 3.17Å; E104-R107 VanDerWaalsContact O-N 3.1Å
108N91.2Very high89.2Confident125 Ų12589.6 Ų89.667%0.66845%0.446SS*.Hα-helixtrans-81.6-10.1-176.6-67.8-17.7000114.2E104 Y105 Y106E104-N108 PolarHBondContact O-N 3.12Å; E104-N108 VanDerWaalsContact O-N 3.14Å; Y105-N108 PolarHBondContact O-N 3.45Å; Y106-N108 VanDerWaalsContact C-N 3.34Å
109I91.2Very high89.2Confident24 Ų2490.9 Ų90.912%0.12345%0.446CS..SBendtrans-95.3152.9178.955.5165000112Y105 Y106 K113 Q114 L117Y105-I109 HydrophobicContact CE1-CD1 4.33Å; Y105-I109 HydrophobicContact CE1-CG2 4.19Å; Y105-I109 HydrophobicContact CE2-CG2 4.17Å; Y105-I109 PolarHBondContact O-N 2.62Å; Y106-I109 HydrophobicContact CD2-CD1 4.12Å; Y106-I109 WeakPolarHBondContact O-CG1 3.39Å; I109-K113 HydrophobicContact CB-CB 4.15Å; I109-K113 HydrophobicContact CD1-CB 4.19Å; I109-Q114 HydrophobicContact CD1-CB 4.34Å; I109-Q114 HydrophobicContact CD1-CG 3.73Å; I109-Q114 HydrophobicContact CG1-CG 3.61Å; I109-Q114 PolarHBondContact O-NE2 3.3Å; I109-L117 HydrophobicContact CD1-CD2 4.02Å
110S91.6Very high89.3Confident67 Ų6787.5 Ų87.547%0.46943%0.433SS..  trans-64.8151.9178.166.50000112.9K112 K113 Q114S110-K112 PolarHBondContact O-N 2.92Å; S110-K112 VanDerWaalsContact O-N 3.07Å; S110-K113 WeakPolarHBondContact O-CA 3.38Å; S110-K113 WeakPolarHBondContact O-CB 3.34Å; S110-K113 PolarHBondContact O-N 2.81Å; S110-Q114 PolarHBondContact O-N 2.93Å
111N89.2Confident89.4Confident122 Ų12289.3 Ų89.365%0.65244%0.442SS*.Hα-helixtrans-51.4-36.6-179.8-65-8.5000113.8Q114 L115N111-Q114 WeakPolarHBondContact O-CB 3.38Å; N111-Q114 PolarHBondContact O-N 3.14Å; N111-L115 WeakPolarHBondContact O-CG 3.31Å; N111-L115 PolarHBondContact O-N 3.19Å; N111-L115 VanDerWaalsContact O-N 3.12Å
112K90.2Very high89.6Confident172 Ų17288.9 Ų88.975%0.74843%0.434SS*.Hα-helixtrans-65.3-43.4175.6-70.4-175.3-179.9178.40111.7S110 L116S110-K112 PolarHBondContact O-N 2.92Å; S110-K112 VanDerWaalsContact O-N 3.07Å; K112-L116 WeakPolarHBondContact O-CG 3.48Å; K112-L116 PolarHBondContact O-N 3.38Å
113K91.1Very high89.6Confident131 Ų13190.6 Ų90.657%0.5743%0.432SS*.Hα-helixtrans-68.2-36.7177.1-70.9-176.3179.3-178.30111.4I109 S110 L116 L117I109-K113 HydrophobicContact CB-CB 4.15Å; I109-K113 HydrophobicContact CD1-CB 4.19Å; S110-K113 WeakPolarHBondContact O-CA 3.38Å; S110-K113 WeakPolarHBondContact O-CB 3.34Å; S110-K113 PolarHBondContact O-N 2.81Å; K113-L116 PolarHBondContact O-N 3.31Å; K113-L117 WeakPolarHBondContact O-CB 3.45Å; K113-L117 PolarHBondContact O-N 3.26Å
114Q89.7Confident89.7Confident34 Ų3496.8 Ų96.816%0.15945%0.447CS..Hα-helixtrans-56.6-52.6173.8-73.4-178.8-3.800111.6Y106 I109 S110 N111 L116 L117 E118Y106-Q114 HydrophobicContact CD1-CG 4.49Å; Y106-Q114 HydrophobicContact CD2-CB 4.34Å; Y106-Q114 HydrophobicContact CD2-CG 3.98Å; Y106-Q114 HydrophobicContact CE1-CG 4.15Å; Y106-Q114 HydrophobicContact CE2-CB 3.5Å; Y106-Q114 HydrophobicContact CE2-CG 3.57Å; Y106-Q114 HydrophobicContact CG-CG 4.44Å; Y106-Q114 PolarHBondContact O-NE2 2.92Å; Y106-Q114 WeakPolarHBondContact OH-CB 3.5Å; I109-Q114 HydrophobicContact CD1-CB 4.34Å; I109-Q114 HydrophobicContact CD1-CG 3.73Å; I109-Q114 HydrophobicContact CG1-CG 3.61Å; I109-Q114 PolarHBondContact O-NE2 3.3Å; S110-Q114 PolarHBondContact O-N 2.93Å; N111-Q114 WeakPolarHBondContact O-CB 3.38Å; N111-Q114 PolarHBondContact O-N 3.14Å; Q114-L116 VanDerWaalsContact C-N 3.33Å; Q114-L116 PolarHBondContact O-N 3Å; Q114-L117 PolarHBondContact O-N 2.84Å; Q114-E118 WeakPolarHBondContact O-CG 3.2Å; Q114-E118 PolarHBondContact O-N 3.45Å
115L87.2Confident89.8Confident100 Ų10093.8 Ų93.852%0.52443%0.432SS..Hα-helixtrans-60.9-40178.2-70.4172000112.8N111 N119N111-L115 WeakPolarHBondContact O-CG 3.31Å; N111-L115 PolarHBondContact O-N 3.19Å; N111-L115 VanDerWaalsContact O-N 3.12Å; L115-N119 WeakPolarHBondContact O-CB 3.3Å; L115-N119 VanDerWaalsContact O-CG 3.23Å; L115-N119 PolarHBondContact O-N 3.41Å; L115-N119 PolarHBondContact O-ND2 3.17Å; L115-N119 VanDerWaalsContact O-ND2 3.14Å
116L88.9Confident90Very high107 Ų10787.9 Ų87.956%0.5641%0.409SS*.Hα-helixtrans-64.5-44.5176.1-71.4174.4000111.4K112 K113 Q114 N119 Q120K112-L116 WeakPolarHBondContact O-CG 3.48Å; K112-L116 PolarHBondContact O-N 3.38Å; K113-L116 PolarHBondContact O-N 3.31Å; Q114-L116 VanDerWaalsContact C-N 3.33Å; Q114-L116 PolarHBondContact O-N 3Å; L116-N119 PolarHBondContact O-N 3.38Å; L116-Q120 WeakPolarHBondContact O-CB 3.27Å; L116-Q120 VanDerWaalsContact O-CG 3.26Å; L116-Q120 WeakPolarHBondContact O-CG 3.49Å; L116-Q120 PolarHBondContact O-N 2.78Å
117L89.9Confident90.1Very high39 Ų3989.4 Ų89.420%0.20442%0.418CS..Hα-helixtrans-63.5-46.5177.9-178.363.4000111.4Y105 Y106 I109 K113 Q114 N119 Q120 L121Y105-L117 HydrophobicContact CD1-CD2 4.28Å; Y105-L117 HydrophobicContact CE1-CD2 3.96Å; Y106-L117 HydrophobicContact CD2-CD2 4.16Å; I109-L117 HydrophobicContact CD1-CD2 4.02Å; K113-L117 WeakPolarHBondContact O-CB 3.45Å; K113-L117 PolarHBondContact O-N 3.26Å; Q114-L117 PolarHBondContact O-N 2.84Å; L117-N119 PolarHBondContact O-N 3.48Å; L117-Q120 PolarHBondContact O-N 3.4Å; L117-L121 HydrophobicContact CD1-CD1 4.19Å; L117-L121 HydrophobicContact CD1-CG 4.18Å; L117-L121 HydrophobicContact CG-CD1 4.01Å; L117-L121 HydrophobicContact CG-CG 4.39Å; L117-L121 WeakPolarHBondContact O-CB 3.39Å; L117-L121 WeakPolarHBondContact O-CG 3.22Å; L117-L121 PolarHBondContact O-N 2.94Å
118E89.1Confident90.4Very high24 Ų2487.8 Ų87.811%0.11242%0.416CS..Hα-helixtrans-55.5-49.3175-77-170.8169.100111.6Q97 L100 Y106 Q114 Q120 L121 F122Q97-E118 WeakPolarHBondContact CG-OE1 3.48Å; Q97-E118 PolarHBondContact NE2-OE2 3.14Å; L100-E118 HydrophobicContact CD2-CG 3.69Å; Y106-E118 HydrophobicContact CE2-CG 4.09Å; Y106-E118 PolarHBondContact OH-OE1 3.39Å; Q114-E118 WeakPolarHBondContact O-CG 3.2Å; Q114-E118 PolarHBondContact O-N 3.45Å; E118-Q120 VanDerWaalsContact C-N 3.33Å; E118-Q120 PolarHBondContact O-N 2.81Å; E118-L121 PolarHBondContact O-N 3.43Å; E118-F122 VanDerWaalsContact O-CB 3.22Å; E118-F122 WeakPolarHBondContact O-CB 3.36Å; E118-F122 PolarHBondContact O-N 2.66Å
119N87.6Confident90.5Very high80 Ų8082.7 Ų82.743%0.42839%0.389SS..Hα-helixtrans-64.9-37.3180-72.9-28.9000112R93 L115 L116 L117 R123R93-N119 PolarHBondContact NH2-OD1 3.39Å; L115-N119 WeakPolarHBondContact O-CB 3.3Å; L115-N119 VanDerWaalsContact O-CG 3.23Å; L115-N119 PolarHBondContact O-N 3.41Å; L115-N119 PolarHBondContact O-ND2 3.17Å; L115-N119 VanDerWaalsContact O-ND2 3.14Å; L116-N119 PolarHBondContact O-N 3.38Å; L117-N119 PolarHBondContact O-N 3.48Å; N119-R123 VanDerWaalsContact O-CB 3.28Å; N119-R123 WeakPolarHBondContact O-CB 3.17Å; N119-R123 PolarHBondContact O-N 2.83Å
120Q89.9Confident90.6Very high93 Ų9381.5 Ų81.544%0.43538%0.383SS..Hα-helixtrans-67.1-45.4176.1-75.9179.25.100112.1L116 L117 E118 R123 R124L116-Q120 WeakPolarHBondContact O-CB 3.27Å; L116-Q120 VanDerWaalsContact O-CG 3.26Å; L116-Q120 WeakPolarHBondContact O-CG 3.49Å; L116-Q120 PolarHBondContact O-N 2.78Å; L117-Q120 PolarHBondContact O-N 3.4Å; E118-Q120 VanDerWaalsContact C-N 3.33Å; E118-Q120 PolarHBondContact O-N 2.81Å; Q120-R123 PolarHBondContact O-N 2.88Å; Q120-R124 WeakPolarHBondContact O-CG 3.26Å; Q120-R124 PolarHBondContact O-N 3.37Å
121L90.7Very high90.6Very high65 Ų6584 Ų8434%0.3439%0.387SS..Hα-helixtrans-64.7-44.6177-70.7175.9000111.2L100 L117 E118 R123 R124 F125L100-L121 HydrophobicContact CD1-CD1 3.91Å; L100-L121 HydrophobicContact CD2-CD1 4.05Å; L117-L121 HydrophobicContact CD1-CD1 4.19Å; L117-L121 HydrophobicContact CD1-CG 4.18Å; L117-L121 HydrophobicContact CG-CD1 4.01Å; L117-L121 HydrophobicContact CG-CG 4.39Å; L117-L121 WeakPolarHBondContact O-CB 3.39Å; L117-L121 WeakPolarHBondContact O-CG 3.22Å; L117-L121 PolarHBondContact O-N 2.94Å; E118-L121 PolarHBondContact O-N 3.43Å; L121-R123 VanDerWaalsContact C-N 3.33Å; L121-R123 PolarHBondContact O-N 2.91Å; L121-R124 PolarHBondContact O-N 3.44Å; L121-F125 WeakPolarHBondContact O-CB 3.43Å; L121-F125 PolarHBondContact O-N 2.83Å
122F89.8Confident90.8Very high40 Ų4084.4 Ų84.418%0.17539%0.385CS..Hα-helixtrans-59.6-44.5176.2-175.4-97.6000111.6C89 R93 E118 R124 F125 F126C89-F122 HydrophobicContact CB-CE2 3.95Å; C89-F122 HydrophobicContact CB-CZ 3.88Å; C89-F122 WeakPolarHBondContact O-CE2 3.39Å; R93-F122 HydrophobicContact CB-CD2 4.34Å; R93-F122 HydrophobicContact CB-CE2 3.98Å; R93-F122 HydrophobicContact CG-CD2 3.94Å; R93-F122 HydrophobicContact CG-CE2 4.01Å; E118-F122 VanDerWaalsContact O-CB 3.22Å; E118-F122 WeakPolarHBondContact O-CB 3.36Å; E118-F122 PolarHBondContact O-N 2.66Å; F122-R124 PolarHBondContact O-N 2.72Å; F122-F125 PolarHBondContact O-N 3.46Å; F122-F126 VanDerWaalsContact O-CB 3.29Å; F122-F126 WeakPolarHBondContact O-CB 3.34Å; F122-F126 PolarHBondContact O-N 3.42Å
123R89.5Confident90.9Very high150 Ų15080.6 Ų80.657%0.56637%0.373SS*.Hα-helixtrans-61.6-42.9176.1-175.4177.768.61802.6111.9N119 Q120 L121 I127N119-R123 VanDerWaalsContact O-CB 3.28Å; N119-R123 WeakPolarHBondContact O-CB 3.17Å; N119-R123 PolarHBondContact O-N 2.83Å; Q120-R123 PolarHBondContact O-N 2.88Å; L121-R123 VanDerWaalsContact C-N 3.33Å; L121-R123 PolarHBondContact O-N 2.91Å; R123-I127 HydrophobicContact CG-CD1 3.86Å; R123-I127 WeakPolarHBondContact O-CB 3.42Å; R123-I127 VanDerWaalsContact O-CG1 3.27Å; R123-I127 WeakPolarHBondContact O-CG1 2.96Å; R123-I127 PolarHBondContact O-N 3.32Å
124R91.4Very high90.8Very high171 Ų17176.5 Ų76.565%0.64537%0.368SS*.Hα-helixtrans-64.2-45.3177.2-74.9179.5179.4-178.21.1111.6Q120 L121 F122 I127 K128Q120-R124 WeakPolarHBondContact O-CG 3.26Å; Q120-R124 PolarHBondContact O-N 3.37Å; L121-R124 PolarHBondContact O-N 3.44Å; F122-R124 PolarHBondContact O-N 2.72Å; R124-I127 PolarHBondContact O-N 2.92Å; R124-K128 VanDerWaalsContact O-CB 3.31Å; R124-K128 WeakPolarHBondContact O-CB 3.22Å; R124-K128 PolarHBondContact O-N 3.22Å
125F91.7Very high90.8Very high88 Ų8875 Ų7539%0.38636%0.361SS..Hα-helixtrans-59.2-50176.1-178-104000111C89 I96 L121 F122 I127 K128 T129C89-F125 HydrophobicContact CB-CD1 4.41Å; C89-F125 HydrophobicContact CB-CE1 4.4Å; I96-F125 HydrophobicContact CD1-CD1 4.1Å; I96-F125 HydrophobicContact CD1-CE1 4.27Å; I96-F125 HydrophobicContact CD1-CG 4.44Å; L121-F125 WeakPolarHBondContact O-CB 3.43Å; L121-F125 PolarHBondContact O-N 2.83Å; F122-F125 PolarHBondContact O-N 3.46Å; F125-I127 PolarHBondContact O-N 2.97Å; F125-K128 PolarHBondContact O-N 3Å; F125-T129 PolarHBondContact O-N 2.97Å; F125-T129 PolarHBondContact O-OG1 3.29Å
126F92.1Very high90.9Very high35 Ų3572 Ų7215%0.15434%0.344CS..Hα-helixtrans-57.6-47.4177.5171.8-103.6000113V82 I85 A86 F122 T129 C130V82-F126 HydrophobicContact CG1-CE2 4.47Å; V82-F126 HydrophobicContact CG1-CZ 3.72Å; I85-F126 HydrophobicContact CG2-CD2 4Å; I85-F126 HydrophobicContact CG2-CE2 4.09Å; A86-F126 HydrophobicContact CB-CD2 4.46Å; A86-F126 HydrophobicContact CB-CE2 3.68Å; A86-F126 HydrophobicContact CB-CZ 4.34Å; F122-F126 VanDerWaalsContact O-CB 3.29Å; F122-F126 WeakPolarHBondContact O-CB 3.34Å; F122-F126 PolarHBondContact O-N 3.42Å; F126-T129 PolarHBondContact O-N 2.86Å; F126-C130 WeakPolarHBondContact O-CB 3.21Å; F126-C130 PolarHBondContact O-N 3Å; F126-C130 PolarHBondContact O-SG 3.33Å
127I92.7Very high90.6Very high53 Ų5369.1 Ų69.127%0.27233%0.332SS..Hα-helixtrans-63.6-45.4178.8-69.6169.3000110.5R123 R124 F125 T129 C130 E131R123-I127 HydrophobicContact CG-CD1 3.86Å; R123-I127 WeakPolarHBondContact O-CB 3.42Å; R123-I127 VanDerWaalsContact O-CG1 3.27Å; R123-I127 WeakPolarHBondContact O-CG1 2.96Å; R123-I127 PolarHBondContact O-N 3.32Å; R124-I127 PolarHBondContact O-N 2.92Å; F125-I127 PolarHBondContact O-N 2.97Å; I127-T129 PolarHBondContact O-N 3.01Å; I127-C130 WeakPolarHBondContact O-CA 3.41Å; I127-C130 WeakPolarHBondContact O-CB 3.36Å; I127-C130 PolarHBondContact O-N 3.44Å; I127-C130 VanDerWaalsContact O-N 3.12Å; I127-E131 HydrophobicContact CG2-CG 4.35Å; I127-E131 WeakPolarHBondContact CG2-OE1 3.43Å; I127-E131 WeakPolarHBondContact O-CG 3.17Å; I127-E131 PolarHBondContact O-N 3Å
128K93.4Very high90.5Very high124 Ų12472.7 Ų72.754%0.53935%0.351SS..Hα-helixtrans-59.5-47.5178.1-176.4177.7176.7-1780111.6R124 F125 C130 E131 E132R124-K128 VanDerWaalsContact O-CB 3.31Å; R124-K128 WeakPolarHBondContact O-CB 3.22Å; R124-K128 PolarHBondContact O-N 3.22Å; F125-K128 PolarHBondContact O-N 3Å; K128-C130 VanDerWaalsContact C-N 3.28Å; K128-C130 PolarHBondContact O-N 3.44Å; K128-E131 PolarHBondContact O-N 3.39Å; K128-E132 WeakPolarHBondContact CE-OE1 3.48Å; K128-E132 WeakPolarHBondContact O-CG 3.46Å; K128-E132 PolarHBondContact O-N 3.06Å
129T93.2Very high90.3Very high17 Ų1775.4 Ų75.410%0.10436%0.362CS..Hα-helixtrans-63.9-34.4176.2-54.40000111.8I85 F125 F126 I127 N133I85-T129 HydrophobicContact CG2-CG2 3.63Å; F125-T129 PolarHBondContact O-N 2.97Å; F125-T129 PolarHBondContact O-OG1 3.29Å; F126-T129 PolarHBondContact O-N 2.86Å; I127-T129 PolarHBondContact O-N 3.01Å; T129-N133 PolarHBondContact O-N 2.98Å; T129-N133 PolarHBondContact O-ND2 2.88Å
130C93Very high90.2Very high0 Ų072.5 Ų72.50%035%0.348CS..Hα-helixtrans-63.1-47.5172.7-72.10000111.6F126 I127 K128 N133 G134 C135F126-C130 WeakPolarHBondContact O-CB 3.21Å; F126-C130 PolarHBondContact O-N 3Å; F126-C130 PolarHBondContact O-SG 3.33Å; I127-C130 WeakPolarHBondContact O-CA 3.41Å; I127-C130 WeakPolarHBondContact O-CB 3.36Å; I127-C130 PolarHBondContact O-N 3.44Å; I127-C130 VanDerWaalsContact O-N 3.12Å; K128-C130 VanDerWaalsContact C-N 3.28Å; K128-C130 PolarHBondContact O-N 3.44Å; C130-N133 CarbonylContact O-C 3.07Å; C130-N133 PolarHBondContact O-N 3.49Å; C130-G134 PolarHBondContact O-N 2.75Å; C130-G134 VanDerWaalsContact O-N 3.14Å; C130-C135 CarbonylContact C-O 3.38Å; C130-C135 WeakPolarHBondContact CB-O 2.99Å; C130-C135 CarbonylContact O-C 3.57Å; C130-C135 PolarHBondContact O-N 2.81Å; C130-C135 PolarHBondContact O-SG 3.49Å
131E92.9Very high89.8Confident119 Ų11971 Ų7156%0.55635%0.348SS*.Hα-helixtrans-62.7-43.5179.7-72.4171.717300112I127 K128 N133 G134I127-E131 HydrophobicContact CG2-CG 4.35Å; I127-E131 WeakPolarHBondContact CG2-OE1 3.43Å; I127-E131 WeakPolarHBondContact O-CG 3.17Å; I127-E131 PolarHBondContact O-N 3Å; K128-E131 PolarHBondContact O-N 3.39Å; E131-N133 PolarHBondContact O-N 2.79Å; E131-G134 WeakPolarHBondContact O-CA 3.3Å; E131-G134 PolarHBondContact O-N 2.82Å
132E93.5Very high89.4Confident130 Ų13070.7 Ų70.761%0.60735%0.349SS*.Hα-helixtrans-58.6-35.3174.3-73.3168.8176.300112K128 G134K128-E132 WeakPolarHBondContact CE-OE1 3.48Å; K128-E132 WeakPolarHBondContact O-CG 3.46Å; K128-E132 PolarHBondContact O-N 3.06Å; E132-G134 VanDerWaalsContact C-N 3.3Å; E132-G134 PolarHBondContact O-N 2.88Å
133N90.9Very high89.2Confident92 Ų9269.1 Ų69.149%0.49234%0.342SS..THydrogen-bonded Turntrans-87.87.9175.4-74.4-69.1000113.8I85 T129 C130 E131 C135I85-N133 HydrophobicContact CD1-CB 3.68Å; T129-N133 PolarHBondContact O-N 2.98Å; T129-N133 PolarHBondContact O-ND2 2.88Å; C130-N133 CarbonylContact O-C 3.07Å; C130-N133 PolarHBondContact O-N 3.49Å; E131-N133 PolarHBondContact O-N 2.79Å; N133-C135 PolarHBondContact O-N 3.42Å
134G88.9Confident88.8Confident45 Ų4563.9 Ų63.946%0.46434%0.335SS..THydrogen-bonded Turntrans66.915.4178.600000114.8C130 E131 E132 K139C130-G134 PolarHBondContact O-N 2.75Å; C130-G134 VanDerWaalsContact O-N 3.14Å; E131-G134 WeakPolarHBondContact O-CA 3.3Å; E131-G134 PolarHBondContact O-N 2.82Å; E132-G134 VanDerWaalsContact C-N 3.3Å; E132-G134 PolarHBondContact O-N 2.88Å; G134-K139 PolarHBondContact O-NZ 2.54Å
135C90.2Very high88.5Confident2 Ų261.2 Ų61.21%0.01433%0.332CS..  trans-111.2156.9178.6720000110.8N78 K81 V82 I85 C130 N133N78-C135 WeakPolarHBondContact OD1-CA 3.49Å; N78-C135 WeakPolarHBondContact OD1-CB 3.39Å; K81-C135 HydrophobicContact CB-CB 3.93Å; K81-C135 HydrophobicContact CD-CB 4.19Å; V82-C135 HydrophobicContact CG2-CB 4.1Å; I85-C135 WeakPolarHBondContact CD1-SG 3.22Å; C130-C135 CarbonylContact C-O 3.38Å; C130-C135 WeakPolarHBondContact CB-O 2.99Å; C130-C135 CarbonylContact O-C 3.57Å; C130-C135 PolarHBondContact O-N 2.81Å; C130-C135 PolarHBondContact O-SG 3.49Å; N133-C135 PolarHBondContact O-N 3.42Å
136H88.8Confident88.3Confident37 Ų3760.3 Ų60.317%0.17133%0.331CS..  trans-156.4138.7173.6-166.4-93000110N78 L138 K139N78-H136 PolarHBondContact ND2-O 2.91Å; N78-H136 PolarHBondContact OD1-N 2.94Å; H136-L138 VanDerWaalsContact CE1-CD1 3.42Å; H136-L138 WeakPolarHBondContact CE1-CD1 3.37Å; H136-L138 VanDerWaalsContact CE1-CG 3.41Å; H136-L138 WeakPolarHBondContact CE1-CG 3.29Å; H136-L138 VanDerWaalsContact ND1-CB 3.29Å; H136-L138 WeakPolarHBondContact ND1-CB 3.33Å; H136-L138 WeakPolarHBondContact ND1-CG 3.48Å; H136-L138 PolarHBondContact ND1-N 3.13Å; H136-L138 PolarHBondContact O-N 3.1Å; H136-L138 VanDerWaalsContact O-N 3.14Å; H136-K139 HydrophobicContact CB-CD 4.41Å; H136-K139 HydrophobicContact CB-CG 4.19Å; H136-K139 WeakPolarHBondContact O-CB 3.28Å; H136-K139 PolarHBondContact O-N 2.98Å
137P84.4Confident88.1Confident47 Ų4759.2 Ų59.231%0.30533%0.326SS..Hα-helixtrans-54.7-34.5178.319.7-32.9000113.2K139 S140 S141P137-K139 VanDerWaalsContact C-N 3.27Å; P137-K139 PolarHBondContact O-N 3.39Å; P137-S140 PolarHBondContact O-N 3.22Å; P137-S140 VanDerWaalsContact O-N 3.17Å; P137-S141 PolarHBondContact O-N 2.92Å; P137-S141 PolarHBondContact O-OG 3.39Å
138L85.8Confident87.9Confident115 Ų11561.7 Ų61.760%0.60234%0.339SS*.Hα-helixtrans-63.3-29176.1-64.2171.5000113.5H136 S140 S141 V142H136-L138 VanDerWaalsContact CE1-CD1 3.42Å; H136-L138 WeakPolarHBondContact CE1-CD1 3.37Å; H136-L138 VanDerWaalsContact CE1-CG 3.41Å; H136-L138 WeakPolarHBondContact CE1-CG 3.29Å; H136-L138 VanDerWaalsContact ND1-CB 3.29Å; H136-L138 WeakPolarHBondContact ND1-CB 3.33Å; H136-L138 WeakPolarHBondContact ND1-CG 3.48Å; H136-L138 PolarHBondContact ND1-N 3.13Å; H136-L138 PolarHBondContact O-N 3.1Å; H136-L138 VanDerWaalsContact O-N 3.14Å; L138-S140 VanDerWaalsContact C-N 3.26Å; L138-S140 PolarHBondContact O-N 2.93Å; L138-S141 WeakPolarHBondContact O-CB 3.43Å; L138-S141 PolarHBondContact O-N 3.31Å; L138-S141 VanDerWaalsContact O-N 3.09Å; L138-V142 PolarHBondContact O-N 2.94Å
139K86.4Confident87.7Confident81 Ų8159.1 Ų59.135%0.35234%0.335SS..Hα-helixtrans-64-33.5176.6-69.1-179.7-177.3-174.70111.4G134 H136 P137 V142G134-K139 PolarHBondContact O-NZ 2.54Å; H136-K139 HydrophobicContact CB-CD 4.41Å; H136-K139 HydrophobicContact CB-CG 4.19Å; H136-K139 WeakPolarHBondContact O-CB 3.28Å; H136-K139 PolarHBondContact O-N 2.98Å; P137-K139 VanDerWaalsContact C-N 3.27Å; P137-K139 PolarHBondContact O-N 3.39Å; K139-V142 WeakPolarHBondContact O-CB 3.22Å
140S84.2Confident87.6Confident19 Ų1959.7 Ų59.713%0.13334%0.337CS..Hα-helixtrans-74.1-29.5173.5-670000112.2A75 N78 Q79 P137 L138 V142A75-S140 PolarHBondContact O-OG 3.37Å; N78-S140 PolarHBondContact ND2-N 3.45Å; N78-S140 PolarHBondContact ND2-OG 2.81Å; Q79-S140 PolarHBondContact N-OG 3.01Å; P137-S140 PolarHBondContact O-N 3.22Å; P137-S140 VanDerWaalsContact O-N 3.17Å; L138-S140 VanDerWaalsContact C-N 3.26Å; L138-S140 PolarHBondContact O-N 2.93Å; S140-V142 PolarHBondContact O-N 3.22Å
141S82.6Confident87.6Confident60 Ų6063 Ų6342%0.4235%0.35SS..Hα-helixtrans-68.3-21.8175.9-570000113.6P137 L138 T143 G144 I145P137-S141 PolarHBondContact O-N 2.92Å; P137-S141 PolarHBondContact O-OG 3.39Å; L138-S141 WeakPolarHBondContact O-CB 3.43Å; L138-S141 PolarHBondContact O-N 3.31Å; L138-S141 VanDerWaalsContact O-N 3.09Å; S141-T143 PolarHBondContact O-N 3.09Å; S141-G144 PolarHBondContact O-N 3.37Å; S141-I145 PolarHBondContact O-N 3.17Å
142V82.5Confident87.5Confident60 Ų6059.8 Ų59.836%0.36434%0.336SS..Hα-helixtrans-55.3-36.5178.6173.60000111.8L138 K139 S140 G144 I145 I146L138-V142 PolarHBondContact O-N 2.94Å; K139-V142 WeakPolarHBondContact O-CB 3.22Å; S140-V142 PolarHBondContact O-N 3.22Å; V142-G144 VanDerWaalsContact C-N 3.33Å; V142-G144 PolarHBondContact O-N 3.38Å; V142-I145 PolarHBondContact O-N 3.28Å; V142-I145 VanDerWaalsContact O-N 3.13Å; V142-I146 HydrophobicContact CG1-CD1 3.66Å; V142-I146 HydrophobicContact CG1-CG1 4.21Å; V142-I146 WeakPolarHBondContact O-CG1 2.99Å; V142-I146 PolarHBondContact O-N 3.14Å
143T84.1Confident87.4Confident6 Ų654.2 Ų54.24%0.03731%0.311CS..Hα-helixtrans-59.6-44.3176.1-61.50000111.2L71 Y72 A75 S141 I145 I146 Q147L71-T143 HydrophobicContact CB-CG2 3.98Å; L71-T143 PolarHBondContact O-OG1 3.01Å; Y72-T143 HydrophobicContact CD1-CG2 3.93Å; Y72-T143 HydrophobicContact CE1-CG2 3.55Å; A75-T143 WeakPolarHBondContact CB-OG1 3.41Å; S141-T143 PolarHBondContact O-N 3.09Å; T143-I145 VanDerWaalsContact C-N 3.32Å; T143-I145 PolarHBondContact O-N 2.77Å; T143-I146 PolarHBondContact O-N 3.09Å; T143-Q147 HydrophobicContact CG2-CG 4.24Å; T143-Q147 WeakPolarHBondContact O-CB 3.44Å; T143-Q147 WeakPolarHBondContact O-CG 3.4Å; T143-Q147 PolarHBondContact O-N 3.34Å
144G82.2Confident87.5Confident41 Ų4150 Ų5042%0.42329%0.288SS..Hα-helixtrans-61.8-39.8175.300000112.8S141 V142 Q147 I148S141-G144 PolarHBondContact O-N 3.37Å; V142-G144 VanDerWaalsContact C-N 3.33Å; V142-G144 PolarHBondContact O-N 3.38Å; G144-Q147 PolarHBondContact O-N 2.91Å; G144-I148 WeakPolarHBondContact O-CG1 3.45Å; G144-I148 PolarHBondContact O-N 3.45Å
145I85.9Confident87.7Confident114 Ų11448.1 Ų48.159%0.58527%0.268SS*.Hα-helixtrans-64.8-40.6179.5-63.1170.9000111.4S141 V142 T143 P149S141-I145 PolarHBondContact O-N 3.17Å; V142-I145 PolarHBondContact O-N 3.28Å; V142-I145 VanDerWaalsContact O-N 3.13Å; T143-I145 VanDerWaalsContact C-N 3.32Å; T143-I145 PolarHBondContact O-N 2.77Å; I145-P149 WeakPolarHBondContact O-CD 3.41Å
146I86.3Confident87.6Confident69 Ų6948.4 Ų48.435%0.35427%0.269SS..Hα-helixtrans-74.1-33179.4-66170.4000111.8L71 V142 T143 I148 P149L71-I146 HydrophobicContact CD1-CB 4.21Å; L71-I146 HydrophobicContact CD1-CD1 4.26Å; L71-I146 HydrophobicContact CD1-CG2 3.72Å; L71-I146 HydrophobicContact CD2-CD1 3.91Å; V142-I146 HydrophobicContact CG1-CD1 3.66Å; V142-I146 HydrophobicContact CG1-CG1 4.21Å; V142-I146 WeakPolarHBondContact O-CG1 2.99Å; V142-I146 PolarHBondContact O-N 3.14Å; T143-I146 PolarHBondContact O-N 3.09Å; I146-I148 VanDerWaalsContact C-N 3.35Å; I146-I148 PolarHBondContact O-N 3.5Å; I146-P149 WeakPolarHBondContact O-CD 3.42Å
147Q87.5Confident87.7Confident13 Ų1346.7 Ų46.76%0.06126%0.261CS..Hα-helixtrans-71-28.3-177-69.4-70.6-49.900113.1A68 T143 G144 W151A68-Q147 VanDerWaalsContact CB-NE2 3.29Å; T143-Q147 HydrophobicContact CG2-CG 4.24Å; T143-Q147 WeakPolarHBondContact O-CB 3.44Å; T143-Q147 WeakPolarHBondContact O-CG 3.4Å; T143-Q147 PolarHBondContact O-N 3.34Å; G144-Q147 PolarHBondContact O-N 2.91Å; Q147-W151 WeakPolarHBondContact O-CB 3.45Å; Q147-W151 PolarHBondContact O-N 3.48Å
148I89.1Confident88Confident105 Ų10544.5 Ų44.554%0.53825%0.247SC..Hα-helixtrans-66.2-53.7179.9-68.4165.8000111.8G144 I146 L150 W151 L152G144-I148 WeakPolarHBondContact O-CG1 3.45Å; G144-I148 PolarHBondContact O-N 3.45Å; I146-I148 VanDerWaalsContact C-N 3.35Å; I146-I148 PolarHBondContact O-N 3.5Å; I148-L150 PolarHBondContact O-N 3.19Å; I148-W151 PolarHBondContact O-N 3.37Å; I148-W151 VanDerWaalsContact O-N 3.14Å; I148-L152 HydrophobicContact CG2-CD1 4.09Å; I148-L152 WeakPolarHBondContact O-CG 3.41Å; I148-L152 PolarHBondContact O-N 2.91Å
149P90.2Very high88Confident69 Ų6939.6 Ų39.645%0.44822%0.22SC..Hα-helixtrans-57.5-45.1175.5-26.734.4000112.9I145 I146 W151 L152 T153I145-P149 WeakPolarHBondContact O-CD 3.41Å; I146-P149 WeakPolarHBondContact O-CD 3.42Å; P149-W151 VanDerWaalsContact C-N 3.26Å; P149-W151 PolarHBondContact O-N 3.38Å; P149-L152 PolarHBondContact O-N 2.96Å; P149-T153 PolarHBondContact O-N 3.29Å; P149-T153 PolarHBondContact O-OG1 3.34Å; P149-T153 VanDerWaalsContact O-OG1 3.07Å
150L90.8Very high87.8Confident29 Ų2938.3 Ų38.315%0.15221%0.214CC..Hα-helixtrans-58.9-42176.6-179.465000111.1V63 V67 I148 F154V63-L150 HydrophobicContact CG1-CD1 4.08Å; V63-L150 HydrophobicContact CG1-CD2 4.48Å; V67-L150 HydrophobicContact CB-CD2 4.13Å; V67-L150 HydrophobicContact CG1-CD2 3.95Å; V67-L150 HydrophobicContact CG2-CD2 4.49Å; I148-L150 PolarHBondContact O-N 3.19Å; L150-F154 WeakPolarHBondContact O-CB 3.34Å; L150-F154 PolarHBondContact O-N 2.97Å; L150-F154 VanDerWaalsContact O-N 3.09Å
151W91.8Very high87.8Confident70 Ų7037.5 Ų37.527%0.26521%0.208SC..Hα-helixtrans-64.8-40.7178.2176.183.9000112.7Q147 I148 P149 T155 L241 Y255 W256Q147-W151 WeakPolarHBondContact O-CB 3.45Å; Q147-W151 PolarHBondContact O-N 3.48Å; I148-W151 PolarHBondContact O-N 3.37Å; I148-W151 VanDerWaalsContact O-N 3.14Å; P149-W151 VanDerWaalsContact C-N 3.26Å; P149-W151 PolarHBondContact O-N 3.38Å; W151-T155 WeakPolarHBondContact O-CB 3.49Å; W151-T155 PolarHBondContact O-N 3.07Å; W151-T155 VanDerWaalsContact O-N 3.07Å; W151-T155 PolarHBondContact O-OG1 3.21Å; W151-L241 HydrophobicContact CZ2-CD1 4.47Å; W151-Y255 VanDerWaalsContact CA-OH 3.31Å; W151-Y255 WeakPolarHBondContact CA-OH 3.31Å; W151-Y255 AromaticContact CD1-CE1 3.57Å; W151-Y255 AromaticContact CD1-CZ 3.76Å; W151-Y255 VanDerWaalsContact CD1-OH 3.32Å; W151-Y255 HydrophobicContact CG-CE1 4.35Å; W151-Y255 AromaticContact NE1-CE1 3.75Å; W151-Y255 PolarHBondContact O-OH 3.08Å; W151-W256 AromaticContact CE2-CD1 3.62Å; W151-W256 AromaticContact CE2-NE1 3.58Å; W151-W256 AromaticContact CZ2-CD1 3.62Å; W151-W256 HydrophobicContact CZ2-CD2 4.25Å; W151-W256 AromaticContact CZ2-CE2 3.7Å; W151-W256 HydrophobicContact CZ2-CG 4.19Å; W151-W256 HydrophobicContact CZ2-CZ2 4.26Å; W151-W256 AromaticContact CZ2-NE1 3.29Å; W151-W256 VanDerWaalsContact CZ2-NE1 3.29Å; W151-W256 AromaticContact NE1-CD1 3.2Å; W151-W256 AromaticContact NE1-NE1 3.64Å
152L91.3Very high87.8Confident51 Ų5135.1 Ų35.127%0.26719%0.191SC..Hα-helixtrans-66.7-48.7175.4-68.8170.9000111.4F27 I148 P149 F154 T155 F156F27-L152 HydrophobicContact CE1-CB 3.65Å; F27-L152 HydrophobicContact CE2-CB 4.14Å; F27-L152 HydrophobicContact CE2-CD1 4.35Å; F27-L152 HydrophobicContact CZ-CB 3.35Å; F27-L152 HydrophobicContact CZ-CD1 3.92Å; F27-L152 HydrophobicContact CZ-CG 4.24Å; I148-L152 HydrophobicContact CG2-CD1 4.09Å; I148-L152 WeakPolarHBondContact O-CG 3.41Å; I148-L152 PolarHBondContact O-N 2.91Å; P149-L152 PolarHBondContact O-N 2.96Å; L152-F154 VanDerWaalsContact C-N 3.28Å; L152-F154 PolarHBondContact O-N 3.1Å; L152-T155 WeakPolarHBondContact O-CB 3.17Å; L152-T155 PolarHBondContact O-N 3.12Å; L152-T155 VanDerWaalsContact O-N 3.08Å; L152-F156 HydrophobicContact CB-CD2 4.37Å; L152-F156 HydrophobicContact CB-CE2 4.47Å; L152-F156 HydrophobicContact CD2-CE2 4.25Å; L152-F156 VanDerWaalsContact O-CD2 3.23Å; L152-F156 WeakPolarHBondContact O-CD2 3.43Å; L152-F156 PolarHBondContact O-N 3.43Å
153T92.2Very high87.4Confident14 Ų1433.6 Ų33.69%0.08619%0.188CC..Hα-helixtrans-54-47.5178.4-60.80000110.9H33 V34 I37 P149 F156 S157H33-T153 HydrophobicContact CB-CG2 4.02Å; H33-T153 WeakPolarHBondContact O-CG2 3.33Å; V34-T153 HydrophobicContact CG2-CG2 4.47Å; I37-T153 HydrophobicContact CG1-CG2 3.93Å; P149-T153 PolarHBondContact O-N 3.29Å; P149-T153 PolarHBondContact O-OG1 3.34Å; P149-T153 VanDerWaalsContact O-OG1 3.07Å; T153-F156 PolarHBondContact O-N 2.89Å; T153-S157 WeakPolarHBondContact O-CB 3.29Å; T153-S157 PolarHBondContact O-N 2.95Å; T153-S157 PolarHBondContact O-OG 3.08Å
154F93.3Very high86.7Confident2 Ų235.1 Ų35.11%0.00919%0.194CC..Hα-helixtrans-64.3-43.4178.8-150.3-70.3000111.9I37 L41 T59 A60 V63 L150 L152 F156 S157 I158 Y255I37-F154 HydrophobicContact CD1-CD2 4.2Å; I37-F154 HydrophobicContact CG2-CD1 4.38Å; I37-F154 HydrophobicContact CG2-CD2 3.64Å; I37-F154 HydrophobicContact CG2-CE2 3.85Å; I37-F154 HydrophobicContact CG2-CG 3.93Å; I37-F154 HydrophobicContact CG2-CZ 4.31Å; L41-F154 HydrophobicContact CD1-CE1 4.18Å; L41-F154 HydrophobicContact CD1-CZ 4.4Å; L41-F154 HydrophobicContact CD2-CE1 4.19Å; L41-F154 HydrophobicContact CD2-CZ 4.03Å; L41-F154 HydrophobicContact CG-CZ 4.36Å; T59-F154 HydrophobicContact CG2-CE2 4.12Å; T59-F154 HydrophobicContact CG2-CZ 3.93Å; A60-F154 HydrophobicContact CB-CE1 4.34Å; A60-F154 HydrophobicContact CB-CE2 4.47Å; A60-F154 HydrophobicContact CB-CZ 4Å; V63-F154 HydrophobicContact CB-CE2 4.39Å; V63-F154 HydrophobicContact CG2-CE2 4.31Å; L150-F154 WeakPolarHBondContact O-CB 3.34Å; L150-F154 PolarHBondContact O-N 2.97Å; L150-F154 VanDerWaalsContact O-N 3.09Å; L152-F154 VanDerWaalsContact C-N 3.28Å; L152-F154 PolarHBondContact O-N 3.1Å; F154-F156 PolarHBondContact O-N 2.93Å; F154-S157 PolarHBondContact O-N 3.41Å; F154-I158 HydrophobicContact CD1-CD1 3.67Å; F154-I158 HydrophobicContact CD1-CG1 4.07Å; F154-I158 HydrophobicContact CE1-CD1 3.81Å; F154-I158 HydrophobicContact CE1-CG1 4.19Å; F154-I158 WeakPolarHBondContact O-CG1 3.32Å; F154-I158 PolarHBondContact O-N 2.92Å; F154-Y255 HydrophobicContact CB-CE1 4.01Å; F154-Y255 HydrophobicContact CB-CE2 3.89Å; F154-Y255 WeakPolarHBondContact CB-OH 3.48Å; F154-Y255 HydrophobicContact CD1-CD1 4.23Å; F154-Y255 AromaticContact CD1-CD2 3.38Å; F154-Y255 HydrophobicContact CD1-CD2 3.38Å; F154-Y255 HydrophobicContact CD1-CE1 4.21Å; F154-Y255 AromaticContact CD1-CE2 3.34Å; F154-Y255 HydrophobicContact CD1-CE2 3.34Å; F154-Y255 AromaticContact CD1-CG 3.85Å; F154-Y255 HydrophobicContact CD1-CG 3.85Å; F154-Y255 AromaticContact CD1-CZ 3.79Å; F154-Y255 HydrophobicContact CD2-CE2 4.14Å; F154-Y255 AromaticContact CE1-CD2 3.57Å; F154-Y255 HydrophobicContact CE1-CD2 3.57Å; F154-Y255 AromaticContact CE1-CE2 3.84Å; F154-Y255 HydrophobicContact CE1-CE2 3.84Å; F154-Y255 HydrophobicContact CE1-CG 4.24Å; F154-Y255 HydrophobicContact CG-CD2 4.06Å; F154-Y255 HydrophobicContact CG-CE1 4.4Å; F154-Y255 AromaticContact CG-CE2 3.51Å; F154-Y255 HydrophobicContact CG-CE2 3.51Å; F154-Y255 AromaticContact CG-CZ 3.72Å; F154-Y255 HydrophobicContact CZ-CD2 4.39Å; F154-Y255 HydrophobicContact CZ-CE2 4.41Å
155T92Very high85.7Confident7 Ų739.4 Ų39.44%0.04320%0.203CC..Hα-helixtrans-58.5-47.8176.5-57.30000111.6W151 L152 I158 R159 F252 Y255 W256W151-T155 WeakPolarHBondContact O-CB 3.49Å; W151-T155 PolarHBondContact O-N 3.07Å; W151-T155 VanDerWaalsContact O-N 3.07Å; W151-T155 PolarHBondContact O-OG1 3.21Å; L152-T155 WeakPolarHBondContact O-CB 3.17Å; L152-T155 PolarHBondContact O-N 3.12Å; L152-T155 VanDerWaalsContact O-N 3.08Å; T155-I158 PolarHBondContact O-N 3.36Å; T155-R159 PolarHBondContact O-N 3.3Å; T155-F252 HydrophobicContact CG2-CD2 3.8Å; T155-F252 HydrophobicContact CG2-CE2 3.93Å; T155-F252 HydrophobicContact CG2-CG 4.23Å; T155-F252 HydrophobicContact CG2-CZ 4.49Å; T155-Y255 WeakPolarHBondContact OG1-CE1 3.41Å; T155-W256 HydrophobicContact CG2-CZ2 3.85Å; T155-W256 PolarHBondContact OG1-NE1 2.87Å; T155-W256 VanDerWaalsContact OG1-NE1 3.14Å
156F89Confident84.5Confident8 Ų836.3 Ų36.34%0.03519%0.187CC..Hα-helixtrans-71.8-29.5179.2-76.5-73.8000113.1F19 I22 S23 F27 L152 T153 F154 I158 R159 Y160F19-F156 HydrophobicContact CD2-CE1 4.45Å; F19-F156 HydrophobicContact CD2-CZ 4.17Å; F19-F156 HydrophobicContact CE1-CE1 4.14Å; F19-F156 AromaticContact CE2-CE1 3.72Å; F19-F156 HydrophobicContact CE2-CE1 3.72Å; F19-F156 AromaticContact CE2-CZ 3.59Å; F19-F156 HydrophobicContact CE2-CZ 3.59Å; F19-F156 HydrophobicContact CZ-CD1 4.49Å; F19-F156 AromaticContact CZ-CE1 3.54Å; F19-F156 HydrophobicContact CZ-CE1 3.54Å; F19-F156 AromaticContact CZ-CZ 3.94Å; F19-F156 HydrophobicContact CZ-CZ 3.94Å; I22-F156 HydrophobicContact CG2-CE2 4.26Å; I22-F156 HydrophobicContact CG2-CZ 4.13Å; S23-F156 WeakPolarHBondContact OG-CD1 3.46Å; F27-F156 HydrophobicContact CB-CB 3.6Å; F27-F156 HydrophobicContact CB-CD1 4.12Å; F27-F156 HydrophobicContact CB-CD2 3.74Å; F27-F156 HydrophobicContact CB-CE2 4.44Å; F27-F156 HydrophobicContact CB-CG 3.56Å; F27-F156 HydrophobicContact CD1-CB 4.17Å; F27-F156 AromaticContact CD1-CD2 3.71Å; F27-F156 HydrophobicContact CD1-CD2 3.71Å; F27-F156 HydrophobicContact CD1-CG 4.23Å; F27-F156 AromaticContact CD2-CD2 3.44Å; F27-F156 HydrophobicContact CD2-CD2 3.44Å; F27-F156 VanDerWaalsContact CD2-CD2 3.44Å; F27-F156 AromaticContact CD2-CE2 3.49Å; F27-F156 HydrophobicContact CD2-CE2 3.49Å; F27-F156 VanDerWaalsContact CD2-CE2 3.49Å; F27-F156 HydrophobicContact CD2-CG 4.15Å; F27-F156 HydrophobicContact CD2-CZ 4.22Å; F27-F156 HydrophobicContact CE1-CD2 4.17Å; F27-F156 AromaticContact CE2-CD2 3.93Å; F27-F156 HydrophobicContact CE2-CD2 3.93Å; F27-F156 AromaticContact CE2-CE2 3.78Å; F27-F156 HydrophobicContact CE2-CE2 3.78Å; F27-F156 HydrophobicContact CG-CB 4Å; F27-F156 AromaticContact CG-CD2 3.33Å; F27-F156 HydrophobicContact CG-CD2 3.33Å; F27-F156 AromaticContact CG-CE2 3.91Å; F27-F156 HydrophobicContact CG-CE2 3.91Å; F27-F156 AromaticContact CG-CG 3.73Å; F27-F156 HydrophobicContact CG-CG 3.73Å; F27-F156 HydrophobicContact CZ-CD2 4.27Å; F27-F156 HydrophobicContact CZ-CE2 4.42Å; L152-F156 HydrophobicContact CB-CD2 4.37Å; L152-F156 HydrophobicContact CB-CE2 4.47Å; L152-F156 HydrophobicContact CD2-CE2 4.25Å; L152-F156 VanDerWaalsContact O-CD2 3.23Å; L152-F156 WeakPolarHBondContact O-CD2 3.43Å; L152-F156 PolarHBondContact O-N 3.43Å; T153-F156 PolarHBondContact O-N 2.89Å; F154-F156 PolarHBondContact O-N 2.93Å; F156-I158 VanDerWaalsContact C-N 3.35Å; F156-R159 VanDerWaalsContact O-CB 3.25Å; F156-R159 WeakPolarHBondContact O-CB 3.32Å; F156-R159 PolarHBondContact O-N 3.4Å; F156-Y160 PolarHBondContact O-N 2.83Å
157S90.1Very high82.7Confident0 Ų041.9 Ų41.90%021%0.205CC..Hα-helixtrans-64.4-41.7172-53.60000111.1V34 I37 T153 F154 R159 Y160 L161V34-S157 PolarHBondContact O-OG 2.81Å; I37-S157 WeakPolarHBondContact CB-OG 3.34Å; T153-S157 WeakPolarHBondContact O-CB 3.29Å; T153-S157 PolarHBondContact O-N 2.95Å; T153-S157 PolarHBondContact O-OG 3.08Å; F154-S157 PolarHBondContact O-N 3.41Å; S157-R159 VanDerWaalsContact C-N 3.33Å; S157-Y160 WeakPolarHBondContact O-CB 3.21Å; S157-Y160 PolarHBondContact O-N 3.47Å; S157-L161 PolarHBondContact O-N 3.12Å
158I90.3Very high81Confident1 Ų146.6 Ų46.61%0.00524%0.237CC..Hα-helixtrans-65.3-39.1172.1-62.1168000110.4L41 I56 F154 T155 F156 Y160 L161 S162 A251 F252 Y255L41-I158 HydrophobicContact CD1-CG1 4.13Å; I56-I158 HydrophobicContact CG2-CD1 3.86Å; F154-I158 HydrophobicContact CD1-CD1 3.67Å; F154-I158 HydrophobicContact CD1-CG1 4.07Å; F154-I158 HydrophobicContact CE1-CD1 3.81Å; F154-I158 HydrophobicContact CE1-CG1 4.19Å; F154-I158 WeakPolarHBondContact O-CG1 3.32Å; F154-I158 PolarHBondContact O-N 2.92Å; T155-I158 PolarHBondContact O-N 3.36Å; F156-I158 VanDerWaalsContact C-N 3.35Å; I158-Y160 PolarHBondContact O-N 3.26Å; I158-L161 PolarHBondContact O-N 3.43Å; I158-S162 WeakPolarHBondContact O-CB 3.4Å; I158-S162 PolarHBondContact O-N 2.87Å; I158-S162 PolarHBondContact O-OG 2.84Å; I158-A251 HydrophobicContact CG2-CB 3.48Å; I158-A251 VanDerWaalsContact CG2-CB 3.48Å; I158-F252 HydrophobicContact CB-CD1 4.06Å; I158-F252 HydrophobicContact CB-CE1 4.08Å; I158-F252 HydrophobicContact CG2-CD1 3.62Å; I158-F252 HydrophobicContact CG2-CE1 3.82Å; I158-Y255 VanDerWaalsContact CD1-CB 3.43Å; I158-Y255 HydrophobicContact CD1-CD1 4.12Å; I158-Y255 HydrophobicContact CD1-CD2 4.37Å; I158-Y255 HydrophobicContact CD1-CG 3.71Å
159R85.5Confident79.1Confident13 Ų1350.2 Ų50.25%0.04925%0.252CS..Hα-helixtrans-53.5-45.5175.4-171177.5168.7-150.6-4.2111.2S23 T155 F156 S157 S162 G163 F164 Q165 F252S23-R159 PolarHBondContact OG-NH1 3.03Å; T155-R159 PolarHBondContact O-N 3.3Å; F156-R159 VanDerWaalsContact O-CB 3.25Å; F156-R159 WeakPolarHBondContact O-CB 3.32Å; F156-R159 PolarHBondContact O-N 3.4Å; S157-R159 VanDerWaalsContact C-N 3.33Å; R159-S162 PolarHBondContact O-N 3.22Å; R159-G163 PolarHBondContact O-N 2.89Å; R159-F164 HydrophobicContact CG-CB 4.31Å; R159-F164 HydrophobicContact CG-CD1 4.47Å; R159-F164 WeakPolarHBondContact CG-O 3.33Å; R159-F164 PolarHBondContact NE-O 2.83Å; R159-F164 PolarHBondContact O-N 3.17Å; R159-Q165 PolarHBondContact NH2-O 3.15Å; R159-F252 VanDerWaalsContact CA-CE1 3.46Å; R159-F252 HydrophobicContact CB-CE1 3.88Å; R159-F252 HydrophobicContact CB-CZ 3.43Å; R159-F252 VanDerWaalsContact CB-CZ 3.43Å; R159-F252 HydrophobicContact CG-CZ 3.81Å; R159-F252 VanDerWaalsContact N-CE1 3.33Å
160Y82.6Confident77.4Confident54 Ų5449.5 Ų49.521%0.21224%0.241CC..Hα-helixtrans-63.9-48178.7178.8-110.6000112.2P29 T38 F156 S157 I158 S162 G163 L166 F170 H174P29-Y160 HydrophobicContact CB-CD1 4.21Å; P29-Y160 HydrophobicContact CB-CD2 3.52Å; P29-Y160 HydrophobicContact CB-CE1 4Å; P29-Y160 HydrophobicContact CB-CE2 3.34Å; P29-Y160 HydrophobicContact CB-CG 3.95Å; P29-Y160 HydrophobicContact CG-CD2 3.88Å; P29-Y160 HydrophobicContact CG-CE2 3.64Å; T38-Y160 HydrophobicContact CG2-CD1 4Å; T38-Y160 HydrophobicContact CG2-CE1 4.13Å; F156-Y160 PolarHBondContact O-N 2.83Å; S157-Y160 WeakPolarHBondContact O-CB 3.21Å; S157-Y160 PolarHBondContact O-N 3.47Å; I158-Y160 PolarHBondContact O-N 3.26Å; Y160-S162 VanDerWaalsContact C-N 3.29Å; Y160-S162 PolarHBondContact O-N 3.33Å; Y160-G163 PolarHBondContact O-N 2.97Å; Y160-G163 VanDerWaalsContact O-N 3.17Å; Y160-L166 HydrophobicContact CD2-CD1 3.65Å; Y160-L166 HydrophobicContact CE2-CD1 4.43Å; Y160-L166 HydrophobicContact CG-CD1 4.47Å; Y160-F170 HydrophobicContact CD2-CE2 4.05Å; Y160-F170 HydrophobicContact CE2-CD2 4.5Å; Y160-F170 AromaticContact CE2-CE2 3.9Å; Y160-F170 HydrophobicContact CE2-CE2 3.9Å; Y160-F170 WeakPolarHBondContact O-CE2 3.41Å; Y160-F170 WeakPolarHBondContact O-CZ 3.26Å; Y160-H174 AromaticContact CD1-CE1 3.64Å; Y160-H174 AromaticContact CE1-CE1 3.06Å; Y160-H174 WeakPolarHBondContact CE1-CE1 3.17Å; Y160-H174 AromaticContact CE1-ND1 3.72Å; Y160-H174 AromaticContact CE1-NE2 3.51Å; Y160-H174 AromaticContact CE2-CE1 3.72Å; Y160-H174 AromaticContact CE2-NE2 3.92Å; Y160-H174 AromaticContact CZ-CE1 3.12Å; Y160-H174 AromaticContact CZ-NE2 3.18Å; Y160-H174 PolarHBondContact OH-CE1 3.23Å; Y160-H174 PolarHBondContact OH-NE2 2.62Å
161L84.5Confident75.8Confident2 Ų252.7 Ų52.71%0.0126%0.259CS..Hα-helixtrans-64.6-30.4176.4-71.1171.1000113.3T38 L41 L42 W52 S157 I158 G163 H174 L175 I176T38-L161 HydrophobicContact CG2-CD1 4.33Å; T38-L161 HydrophobicContact CG2-CD2 3.63Å; T38-L161 HydrophobicContact CG2-CG 3.96Å; L41-L161 HydrophobicContact CB-CD1 3.79Å; L41-L161 HydrophobicContact CD1-CD1 3.52Å; L41-L161 HydrophobicContact CG-CD1 4.27Å; L42-L161 HydrophobicContact CD1-CD2 4.49Å; L42-L161 HydrophobicContact CD2-CD2 4.25Å; L42-L161 HydrophobicContact CG-CD2 4.3Å; W52-L161 HydrophobicContact CZ3-CD1 4.4Å; S157-L161 PolarHBondContact O-N 3.12Å; I158-L161 PolarHBondContact O-N 3.43Å; L161-G163 VanDerWaalsContact C-N 3.32Å; L161-H174 WeakPolarHBondContact CD2-O 3.35Å; L161-L175 CarbonylContact O-C 3.54Å; L161-L175 VanDerWaalsContact O-CA 3.3Å; L161-L175 WeakPolarHBondContact O-CA 3.08Å; L161-L175 VanDerWaalsContact O-CD2 3.31Å; L161-L175 WeakPolarHBondContact O-CD2 3.49Å; L161-I176 HydrophobicContact CB-CD1 4.28Å; L161-I176 HydrophobicContact CB-CG1 3.97Å; L161-I176 PolarHBondContact O-N 3.48Å
162S82.1Confident74.3Confident9 Ų953.4 Ų53.46%0.06327%0.274CS..THydrogen-bonded Turntrans-79.2-10.2176.4-74.50000114.1I158 R159 Y160 F164 I176 N182I158-S162 WeakPolarHBondContact O-CB 3.4Å; I158-S162 PolarHBondContact O-N 2.87Å; I158-S162 PolarHBondContact O-OG 2.84Å; R159-S162 PolarHBondContact O-N 3.22Å; Y160-S162 VanDerWaalsContact C-N 3.29Å; Y160-S162 PolarHBondContact O-N 3.33Å; S162-F164 PolarHBondContact O-N 2.91Å; S162-I176 WeakPolarHBondContact OG-CD1 3.46Å; S162-N182 VanDerWaalsContact CA-OD1 3.29Å; S162-N182 WeakPolarHBondContact CA-OD1 3.37Å; S162-N182 WeakPolarHBondContact CB-OD1 3.21Å; S162-N182 PolarHBondContact OG-OD1 3.47Å
163G74.8Confident72.8Confident29 Ų2957.5 Ų57.530%0.29930%0.296SS..THydrogen-bonded Turntrans63.915-171.900000114R159 Y160 L161 Q165R159-G163 PolarHBondContact O-N 2.89Å; Y160-G163 PolarHBondContact O-N 2.97Å; Y160-G163 VanDerWaalsContact O-N 3.17Å; L161-G163 VanDerWaalsContact C-N 3.32Å; G163-Q165 PolarHBondContact O-N 2.9Å
164F69.8Low71.5Confident37 Ų3758 Ų5816%0.16230%0.298CS..THydrogen-bonded Turntrans-74.7113.9-170.1-176.7-95.6000111.6R159 S162 L166 F247 P249R159-F164 HydrophobicContact CG-CB 4.31Å; R159-F164 HydrophobicContact CG-CD1 4.47Å; R159-F164 WeakPolarHBondContact CG-O 3.33Å; R159-F164 PolarHBondContact NE-O 2.83Å; R159-F164 PolarHBondContact O-N 3.17Å; S162-F164 PolarHBondContact O-N 2.91Å; F164-L166 VanDerWaalsContact C-N 3.34Å; F164-L166 PolarHBondContact O-N 3.46Å; F164-F247 WeakPolarHBondContact CZ-O 3.41Å; F164-P249 HydrophobicContact CB-CG 4.35Å; F164-P249 HydrophobicContact CD2-CG 4.32Å; F164-P249 HydrophobicContact CG-CG 4.19Å
165Q61.1Low70.6Confident131 Ų13160.8 Ų60.861%0.61231%0.312SS*.THydrogen-bonded Turntrans57.836.8179.7-61.5178.2-23.500114.3R159 G163R159-Q165 PolarHBondContact NH2-O 3.15Å; G163-Q165 PolarHBondContact O-N 2.9Å
166L59.8Low69.9Low50 Ų5060.7 Ų60.726%0.26231%0.311SS..  trans-98.9151.1171-72.3170.3000111.5Y160 F164 F170Y160-L166 HydrophobicContact CD2-CD1 3.65Å; Y160-L166 HydrophobicContact CE2-CD1 4.43Å; Y160-L166 HydrophobicContact CG-CD1 4.47Å; F164-L166 VanDerWaalsContact C-N 3.34Å; F164-L166 PolarHBondContact O-N 3.46Å; L166-F170 HydrophobicContact CB-CD2 4.46Å; L166-F170 HydrophobicContact CD1-CD2 4.08Å; L166-F170 HydrophobicContact CD1-CE2 3.76Å
167Y49.1Very low69.2Low186 Ų18664.5 Ų64.573%0.72934%0.344SS*.  trans-66147.8177.7-152.2-98.2000110.7Q169Y167-Q169 HydrophobicContact CD1-CG 4.3Å; Y167-Q169 PolarHBondContact O-N 3.09Å
168P52.1Low68.6Low112 Ų11267.3 Ų67.373%0.72736%0.359SS*.SBendtrans-63.84.3-169.720.4-34.6000118.3F170P168-F170 PolarHBondContact O-N 2.81Å
169Q49.5Very low68.1Low181 Ų18171.7 Ų71.785%0.84639%0.39SS*.  trans-81.938.7177.8-63.6-76.67.600112.4Y167Y167-Q169 HydrophobicContact CD1-CG 4.3Å; Y167-Q169 PolarHBondContact O-N 3.09Å
170F54.8Low67.9Low54 Ų5474.1 Ų74.124%0.23741%0.409CS..  trans-95.4136.2-166-167.5-81000112.5Y160 L166 P168 S172 H174 L175Y160-F170 HydrophobicContact CD2-CE2 4.05Å; Y160-F170 HydrophobicContact CE2-CD2 4.5Å; Y160-F170 AromaticContact CE2-CE2 3.9Å; Y160-F170 HydrophobicContact CE2-CE2 3.9Å; Y160-F170 WeakPolarHBondContact O-CE2 3.41Å; Y160-F170 WeakPolarHBondContact O-CZ 3.26Å; L166-F170 HydrophobicContact CB-CD2 4.46Å; L166-F170 HydrophobicContact CD1-CD2 4.08Å; L166-F170 HydrophobicContact CD1-CE2 3.76Å; P168-F170 PolarHBondContact O-N 2.81Å; F170-S172 PolarHBondContact O-N 3.03Å; F170-H174 AromaticContact CE1-CE1 3.47Å; F170-H174 VanDerWaalsContact CE1-CE1 3.47Å; F170-H174 WeakPolarHBondContact CE1-CE1 2.87Å; F170-H174 AromaticContact CE1-NE2 3.56Å; F170-H174 AromaticContact CE2-CE1 3.58Å; F170-H174 AromaticContact CE2-NE2 3.96Å; F170-H174 AromaticContact CZ-CE1 2.91Å; F170-H174 WeakPolarHBondContact CZ-CE1 3.24Å; F170-H174 AromaticContact CZ-ND1 3.65Å; F170-H174 AromaticContact CZ-NE2 3.4Å; F170-H174 WeakPolarHBondContact CZ-NE2 3.45Å; F170-L175 HydrophobicContact CD1-CD1 4.3Å; F170-L175 HydrophobicContact CD1-CD2 4.23Å; F170-L175 HydrophobicContact CD1-CG 4.23Å; F170-L175 HydrophobicContact CE1-CD1 3.92Å; F170-L175 HydrophobicContact CE1-CD2 3.29Å; F170-L175 HydrophobicContact CE1-CG 3.37Å; F170-L175 HydrophobicContact CE2-CD2 4.17Å; F170-L175 HydrophobicContact CZ-CD2 3.18Å; F170-L175 HydrophobicContact CZ-CG 3.82Å
171D56.4Low68.1Low96 Ų9672 Ų7251%0.51340%0.401SS..  trans-79.797170.1-169.11.9000109.3N173 H174D171-N173 PolarHBondContact O-N 3.31Å; D171-N173 PolarHBondContact OD1-ND2 3.37Å; D171-H174 PolarHBondContact O-CD2 2.96Å; D171-H174 PolarHBondContact O-NE2 2.81Å
172S60.2Low68Low84 Ų8473.8 Ų73.859%0.58741%0.411SS*.G310 helixtrans-59.5-10.4-172.4500000114.8F170 H174F170-S172 PolarHBondContact O-N 3.03Å; S172-H174 VanDerWaalsContact C-N 3.31Å; S172-H174 PolarHBondContact O-N 2.87Å
173N60.6Low68.2Low138 Ų13877.2 Ų77.274%0.73843%0.431SS*.G310 helixtrans-68.6-23.2-174.4-67.6-35000114.5D171D171-N173 PolarHBondContact O-N 3.31Å; D171-N173 PolarHBondContact OD1-ND2 3.37Å
174H64.9Low68.6Low25 Ų2578.6 Ų78.612%0.11644%0.435CS..G310 helixtrans-108.515.3-174.870.872.8000113.9L42 Y160 L161 F170 D171 S172L42-H174 HydrophobicContact CD1-CB 4.39Å; Y160-H174 AromaticContact CD1-CE1 3.64Å; Y160-H174 AromaticContact CE1-CE1 3.06Å; Y160-H174 WeakPolarHBondContact CE1-CE1 3.17Å; Y160-H174 AromaticContact CE1-ND1 3.72Å; Y160-H174 AromaticContact CE1-NE2 3.51Å; Y160-H174 AromaticContact CE2-CE1 3.72Å; Y160-H174 AromaticContact CE2-NE2 3.92Å; Y160-H174 AromaticContact CZ-CE1 3.12Å; Y160-H174 AromaticContact CZ-NE2 3.18Å; Y160-H174 PolarHBondContact OH-CE1 3.23Å; Y160-H174 PolarHBondContact OH-NE2 2.62Å; L161-H174 WeakPolarHBondContact CD2-O 3.35Å; F170-H174 AromaticContact CE1-CE1 3.47Å; F170-H174 VanDerWaalsContact CE1-CE1 3.47Å; F170-H174 WeakPolarHBondContact CE1-CE1 2.87Å; F170-H174 AromaticContact CE1-NE2 3.56Å; F170-H174 AromaticContact CE2-CE1 3.58Å; F170-H174 AromaticContact CE2-NE2 3.96Å; F170-H174 AromaticContact CZ-CE1 2.91Å; F170-H174 WeakPolarHBondContact CZ-CE1 3.24Å; F170-H174 AromaticContact CZ-ND1 3.65Å; F170-H174 AromaticContact CZ-NE2 3.4Å; F170-H174 WeakPolarHBondContact CZ-NE2 3.45Å; D171-H174 PolarHBondContact O-CD2 2.96Å; D171-H174 PolarHBondContact O-NE2 2.81Å; S172-H174 VanDerWaalsContact C-N 3.31Å; S172-H174 PolarHBondContact O-N 2.87Å
175L74.5Confident69.2Low59 Ų5977.5 Ų77.531%0.30943%0.432SS..SBendtrans-72149.6178.4-71.4171.4000111.6L161 F170 A177L161-L175 CarbonylContact O-C 3.54Å; L161-L175 VanDerWaalsContact O-CA 3.3Å; L161-L175 WeakPolarHBondContact O-CA 3.08Å; L161-L175 VanDerWaalsContact O-CD2 3.31Å; L161-L175 WeakPolarHBondContact O-CD2 3.49Å; F170-L175 HydrophobicContact CD1-CD1 4.3Å; F170-L175 HydrophobicContact CD1-CD2 4.23Å; F170-L175 HydrophobicContact CD1-CG 4.23Å; F170-L175 HydrophobicContact CE1-CD1 3.92Å; F170-L175 HydrophobicContact CE1-CD2 3.29Å; F170-L175 HydrophobicContact CE1-CG 3.37Å; F170-L175 HydrophobicContact CE2-CD2 4.17Å; F170-L175 HydrophobicContact CZ-CD2 3.18Å; F170-L175 HydrophobicContact CZ-CG 3.82Å; L175-A177 PolarHBondContact O-N 2.92Å
176I76.5Confident70.2Confident5 Ų575.9 Ų75.93%0.02644%0.435CS..  trans-55.6108.2162.3-64.8-179.5000107.4W52 I56 L161 S162 D178 L181 N182 A251W52-I176 HydrophobicContact CB-CG2 3.96Å; W52-I176 HydrophobicContact CD2-CB 4.24Å; W52-I176 HydrophobicContact CD2-CG1 3.98Å; W52-I176 HydrophobicContact CD2-CG2 3.93Å; W52-I176 HydrophobicContact CE3-CD1 4.39Å; W52-I176 HydrophobicContact CE3-CG1 3.83Å; W52-I176 HydrophobicContact CG-CB 4.46Å; W52-I176 HydrophobicContact CG-CG2 3.65Å; W52-I176 HydrophobicContact CH2-CG1 4.36Å; W52-I176 HydrophobicContact CZ3-CG1 4.03Å; I56-I176 HydrophobicContact CD1-CD1 4.35Å; L161-I176 HydrophobicContact CB-CD1 4.28Å; L161-I176 HydrophobicContact CB-CG1 3.97Å; L161-I176 PolarHBondContact O-N 3.48Å; S162-I176 WeakPolarHBondContact OG-CD1 3.46Å; I176-D178 HydrophobicContact CG2-CB 4.14Å; I176-D178 WeakPolarHBondContact CG2-O 3.25Å; I176-D178 PolarHBondContact O-N 3.2Å; I176-L181 HydrophobicContact CG2-CB 4.21Å; I176-L181 HydrophobicContact CG2-CD1 4.16Å; I176-N182 PolarHBondContact O-ND2 2.95Å; I176-A251 HydrophobicContact CD1-CB 4.16Å
177A73.7Confident71.4Confident88 Ų8875.2 Ų75.273%0.72744%0.44SS*.SBendtrans-62.6-25.8-178.900000112.5L175 S179L175-A177 PolarHBondContact O-N 2.92Å; A177-S179 PolarHBondContact O-N 3.06Å
178D78.6Confident73.2Confident59 Ų5974.2 Ų74.232%0.31644%0.44SS..  trans-79.896.6175.9-178.22.9000111.1I176 S180 L181I176-D178 HydrophobicContact CG2-CB 4.14Å; I176-D178 WeakPolarHBondContact CG2-O 3.25Å; I176-D178 PolarHBondContact O-N 3.2Å; D178-S180 VanDerWaalsContact CG-OG 3.24Å; D178-S180 PolarHBondContact O-N 3.5Å; D178-S180 VanDerWaalsContact O-N 3.12Å; D178-S180 WeakPolarHBondContact OD1-CB 3.5Å; D178-S180 PolarHBondContact OD1-N 3.36Å; D178-S180 PolarHBondContact OD1-OG 3.41Å; D178-S180 PolarHBondContact OD2-OG 2.73Å; D178-L181 HydrophobicContact CB-CD1 4.01Å; D178-L181 PolarHBondContact O-N 3.15Å; D178-L181 WeakPolarHBondContact OD2-CD1 3.16Å
179S78.2Confident75.1Confident94 Ų9474.9 Ų74.966%0.65744%0.437SS*.Hα-helixtrans-58.3-24.1178.260.70000113.4A177 L181 N182A177-S179 PolarHBondContact O-N 3.06Å; S179-L181 PolarHBondContact O-N 3.13Å; S179-N182 PolarHBondContact O-N 3.4Å
180S83Confident77Confident63 Ų6368.8 Ų68.844%0.44141%0.409SS..Hα-helixtrans-66.8-27-178.878.80000113D178D178-S180 VanDerWaalsContact CG-OG 3.24Å; D178-S180 PolarHBondContact O-N 3.5Å; D178-S180 VanDerWaalsContact O-N 3.12Å; D178-S180 WeakPolarHBondContact OD1-CB 3.5Å; D178-S180 PolarHBondContact OD1-N 3.36Å; D178-S180 PolarHBondContact OD1-OG 3.41Å; D178-S180 PolarHBondContact OD2-OG 2.73Å
181L85.4Confident78.8Confident10 Ų1066.5 Ų66.55%0.05240%0.4CS..Hα-helixtrans-80.3-21.4179.6-76.9162.9000113.4W52 I176 D178 S179 K250 A251 I254W52-L181 HydrophobicContact CB-CD1 3.38Å; I176-L181 HydrophobicContact CG2-CB 4.21Å; I176-L181 HydrophobicContact CG2-CD1 4.16Å; D178-L181 HydrophobicContact CB-CD1 4.01Å; D178-L181 PolarHBondContact O-N 3.15Å; D178-L181 WeakPolarHBondContact OD2-CD1 3.16Å; S179-L181 PolarHBondContact O-N 3.13Å; L181-K250 HydrophobicContact CD2-CB 4.42Å; L181-K250 PolarHBondContact O-N 3.19Å; L181-K250 VanDerWaalsContact O-N 3.09Å; L181-A251 HydrophobicContact CB-CB 4.36Å; L181-A251 PolarHBondContact O-N 3.07Å; L181-I254 HydrophobicContact CD2-CD1 3.3Å
182N83.4Confident80.6Confident40 Ų4067.5 Ų67.521%0.21440%0.4CS..Hα-helixtrans-87.3-12.9-178.1-60.9-28.2000112.5S162 I176 S179S162-N182 VanDerWaalsContact CA-OD1 3.29Å; S162-N182 WeakPolarHBondContact CA-OD1 3.37Å; S162-N182 WeakPolarHBondContact CB-OD1 3.21Å; S162-N182 PolarHBondContact OG-OD1 3.47Å; I176-N182 PolarHBondContact O-ND2 2.95Å; S179-N182 PolarHBondContact O-N 3.4Å
183V84.9Confident82.2Confident81 Ų8166.7 Ų66.749%0.49139%0.388SS..SBendtrans-76.5147.1174.1-178.60000110.1K250V183-K250 WeakPolarHBondContact O-CG 3.46Å; V183-K250 PolarHBondContact O-N 3Å
184P84.8Confident83.8Confident58 Ų5860.1 Ų60.138%0.37735%0.354SS..BIsolated β-bridgetrans-55.3151173.2-26.134.6000114S186 S246 F248 K250P184-S186 PolarHBondContact O-N 2.96Å; P184-S246 WeakPolarHBondContact CB-O 3.2Å; P184-F248 WeakPolarHBondContact CA-O 3.47Å; P184-K250 WeakPolarHBondContact O-CE 3.46Å
185C81.7Confident85.2Confident14 Ų1459.5 Ų59.510%0.09535%0.352CS..  trans-71.3102.3-177.3-161.50000112.1G187 C245 F248 K250 V253C185-G187 PolarHBondContact SG-O 3.21Å; C185-C245 WeakPolarHBondContact CB-O 3.46Å; C185-F248 PolarHBondContact N-O 2.91Å; C185-K250 HydrophobicContact CB-CG 4.07Å; C185-V253 HydrophobicContact CB-CG2 3.9Å
186S81.6Confident86.3Confident96 Ų9661.8 Ų61.867%0.67136%0.363SS*.  trans-81.9-18.6175.455.30000114.8P184 K250P184-S186 PolarHBondContact O-N 2.96Å; S186-K250 PolarHBondContact OG-NZ 3.07Å
187G85.9Confident87.2Confident36 Ų3661.8 Ų61.837%0.37137%0.365SS..  trans-96139.2-176.300000112.4C185 P191C185-G187 PolarHBondContact SG-O 3.21Å; G187-P191 WeakPolarHBondContact O-CD 3.23Å; G187-P191 WeakPolarHBondContact O-CG 3.34Å
188F87.3Confident88.2Confident165 Ų16557.8 Ų57.872%0.72433%0.332SS*.SBendtrans-82.7-20179.9-62.2-71.8000114.3L190 P191 F192 F242F188-L190 PolarHBondContact O-N 3.24Å; F188-P191 WeakPolarHBondContact O-CD 3.38Å; F188-F192 WeakPolarHBondContact O-CB 3.42Å; F188-F192 PolarHBondContact O-N 3.48Å; F188-F242 HydrophobicContact CD1-CZ 4.49Å
189L90.8Very high89Confident127 Ų12756.4 Ų56.467%0.66533%0.325SS*.Hα-helixtrans-61.1-48.7-172.8-178.561.9000112.6F192 I193L189-F192 PolarHBondContact O-N 2.58Å; L189-I193 HydrophobicContact CD1-CD1 3.98Å; L189-I193 HydrophobicContact CD1-CG1 4.34Å; L189-I193 HydrophobicContact CG-CD1 3.99Å; L189-I193 WeakPolarHBondContact O-CG1 3.32Å; L189-I193 PolarHBondContact O-N 3.48Å
190L90.2Very high89.8Confident52 Ų5253.5 Ų53.527%0.27231%0.307SS..Hα-helixtrans-70.2-46.9-176.5-172.274.3000112.3F188 F192 I193 C194 V253 I254 C257F188-L190 PolarHBondContact O-N 3.24Å; L190-F192 PolarHBondContact O-N 2.84Å; L190-I193 PolarHBondContact O-N 2.94Å; L190-C194 WeakPolarHBondContact O-CB 3.24Å; L190-C194 PolarHBondContact O-N 2.81Å; L190-V253 HydrophobicContact CB-CG1 4.3Å; L190-V253 HydrophobicContact CD2-CB 3.92Å; L190-V253 HydrophobicContact CD2-CG1 3.66Å; L190-V253 HydrophobicContact CG-CG1 3.79Å; L190-I254 HydrophobicContact CD2-CB 4.42Å; L190-I254 HydrophobicContact CD2-CG1 3.6Å; L190-C257 HydrophobicContact CD1-CB 3.77Å; L190-C257 HydrophobicContact CG-CB 4.16Å
191P92.7Very high90.4Very high7 Ų751.3 Ų51.35%0.04529%0.29CS..Hα-helixtrans-54.7-41.1168.4-26.735.1000112.5G187 F188 C194 T195 F242 C245 V253G187-P191 WeakPolarHBondContact O-CD 3.23Å; G187-P191 WeakPolarHBondContact O-CG 3.34Å; F188-P191 WeakPolarHBondContact O-CD 3.38Å; P191-C194 WeakPolarHBondContact O-CB 3.25Å; P191-C194 PolarHBondContact O-N 3.34Å; P191-T195 PolarHBondContact O-N 2.76Å; P191-T195 PolarHBondContact O-OG1 2.78Å; P191-F242 HydrophobicContact CB-CD2 3.59Å; P191-F242 HydrophobicContact CB-CE2 3.61Å; P191-F242 WeakPolarHBondContact O-CD2 3.36Å; P191-C245 HydrophobicContact CB-CB 3.94Å; P191-C245 HydrophobicContact CG-CB 3.76Å; P191-V253 HydrophobicContact CG-CG1 4.02Å
192F94Very high90.8Very high116 Ų11652.3 Ų52.351%0.50930%0.297SS..Hα-helixtrans-64.4-47.4-178.9179-99000112.2F188 L189 L190 C194 T195 L196 F242F188-F192 WeakPolarHBondContact O-CB 3.42Å; F188-F192 PolarHBondContact O-N 3.48Å; L189-F192 PolarHBondContact O-N 2.58Å; L190-F192 PolarHBondContact O-N 2.84Å; F192-C194 VanDerWaalsContact C-N 3.31Å; F192-C194 PolarHBondContact O-N 2.84Å; F192-T195 PolarHBondContact O-N 2.91Å; F192-L196 HydrophobicContact CE1-CD2 4.47Å; F192-L196 WeakPolarHBondContact O-CB 3.36Å; F192-L196 PolarHBondContact O-N 3.17Å; F192-F242 HydrophobicContact CB-CE2 4.22Å
193I94.3Very high91.2Very high67 Ų6751.1 Ų51.134%0.34429%0.29SS..Hα-helixtrans-60.6-43.7175.3-66.1166.4000110.4L189 L190 T195 L196 A197 V261L189-I193 HydrophobicContact CD1-CD1 3.98Å; L189-I193 HydrophobicContact CD1-CG1 4.34Å; L189-I193 HydrophobicContact CG-CD1 3.99Å; L189-I193 WeakPolarHBondContact O-CG1 3.32Å; L189-I193 PolarHBondContact O-N 3.48Å; L190-I193 PolarHBondContact O-N 2.94Å; I193-T195 PolarHBondContact O-N 3.14Å; I193-L196 PolarHBondContact O-N 3.12Å; I193-A197 WeakPolarHBondContact O-CB 3.39Å; I193-A197 PolarHBondContact O-N 3.38Å; I193-V261 HydrophobicContact CG2-CG2 4.16Å
194C93.5Very high91.5Very high1 Ų147.8 Ų47.81%0.00727%0.269CS..Hα-helixtrans-57.2-50.1177.1-174.40000111.4L190 P191 F192 A197 G198 W256 C257L190-C194 WeakPolarHBondContact O-CB 3.24Å; L190-C194 PolarHBondContact O-N 2.81Å; P191-C194 WeakPolarHBondContact O-CB 3.25Å; P191-C194 PolarHBondContact O-N 3.34Å; F192-C194 VanDerWaalsContact C-N 3.31Å; F192-C194 PolarHBondContact O-N 2.84Å; C194-A197 PolarHBondContact O-N 2.84Å; C194-G198 PolarHBondContact O-N 3.46Å; C194-W256 VanDerWaalsContact SG-C 3.54Å; C194-C257 HydrophobicContact CB-CB 3.89Å
195T94.9Very high91.7Very high12 Ų1247.7 Ų47.77%0.07427%0.273CS..Hα-helixtrans-65.3-42.1179.4-57.70000111.9P191 F192 I193 G198 V199 F239 F242P191-T195 PolarHBondContact O-N 2.76Å; P191-T195 PolarHBondContact O-OG1 2.78Å; F192-T195 PolarHBondContact O-N 2.91Å; I193-T195 PolarHBondContact O-N 3.14Å; T195-G198 PolarHBondContact O-N 2.98Å; T195-V199 HydrophobicContact CG2-CG2 4.27Å; T195-V199 WeakPolarHBondContact O-CB 3.49Å; T195-V199 WeakPolarHBondContact O-CG2 3.14Å; T195-V199 PolarHBondContact O-N 3.33Å; T195-F239 HydrophobicContact CG2-CD1 4.05Å; T195-F239 HydrophobicContact CG2-CE1 4.1Å; T195-F242 HydrophobicContact CG2-CB 4.35Å; T195-F242 VanDerWaalsContact OG1-CB 3.25Å; T195-F242 WeakPolarHBondContact OG1-CB 3.36Å; T195-F242 VanDerWaalsContact OG1-CD2 3.24Å; T195-F242 WeakPolarHBondContact OG1-CD2 3.09Å
196L96.3Very high92.1Very high106 Ų10647.1 Ų47.156%0.55527%0.269SS*.Hα-helixtrans-60.6-47.9177-178.863000110.8F192 I193 A200F192-L196 HydrophobicContact CE1-CD2 4.47Å; F192-L196 WeakPolarHBondContact O-CB 3.36Å; F192-L196 PolarHBondContact O-N 3.17Å; I193-L196 PolarHBondContact O-N 3.12Å; L196-A200 WeakPolarHBondContact O-CB 3.43Å; L196-A200 PolarHBondContact O-N 3.48Å
197A95.9Very high92.4Very high6 Ų642.9 Ų42.95%0.0524%0.239CC..Hα-helixtrans-64.1-40.3176.800000112I193 C194 A200 N201 V261I193-A197 WeakPolarHBondContact O-CB 3.39Å; I193-A197 PolarHBondContact O-N 3.38Å; C194-A197 PolarHBondContact O-N 2.84Å; A197-A200 PolarHBondContact O-N 3.39Å; A197-N201 PolarHBondContact O-N 2.95Å; A197-N201 PolarHBondContact O-ND2 2.9Å; A197-V261 HydrophobicContact CB-CG2 3.88Å
198G94.9Very high92.4Very high4 Ų442.7 Ų42.74%0.04123%0.227CC..Hα-helixtrans-64.9-47.4177.900000113.2C194 T195 N201 V202 N238C194-G198 PolarHBondContact O-N 3.46Å; T195-G198 PolarHBondContact O-N 2.98Å; G198-N201 WeakPolarHBondContact O-CB 3.4Å; G198-N201 PolarHBondContact O-N 3.33Å; G198-V202 WeakPolarHBondContact O-CG2 3.44Å; G198-V202 PolarHBondContact O-N 3.24Å; G198-V202 VanDerWaalsContact O-N 3.15Å; G198-N238 VanDerWaalsContact CA-OD1 3.23Å; G198-N238 WeakPolarHBondContact CA-OD1 3.4Å
199V95.7Very high92.3Very high30 Ų3039 Ų3918%0.18221%0.208CC..Hα-helixtrans-64-41.6173.7172.70000110.6T195 N201 V202 E203 N238 F239T195-V199 HydrophobicContact CG2-CG2 4.27Å; T195-V199 WeakPolarHBondContact O-CB 3.49Å; T195-V199 WeakPolarHBondContact O-CG2 3.14Å; T195-V199 PolarHBondContact O-N 3.33Å; V199-N201 VanDerWaalsContact C-N 3.28Å; V199-N201 PolarHBondContact O-N 3.34Å; V199-V202 PolarHBondContact O-N 2.94Å; V199-V202 VanDerWaalsContact O-N 3.17Å; V199-E203 HydrophobicContact CG1-CG 4.36Å; V199-E203 WeakPolarHBondContact O-CB 2.9Å; V199-E203 WeakPolarHBondContact O-CG 3.16Å; V199-E203 PolarHBondContact O-N 2.97Å; V199-N238 HydrophobicContact CG2-CB 3.99Å; V199-F239 HydrophobicContact CG2-CE2 4.4Å; V199-F239 HydrophobicContact CG2-CZ 4.43Å
200A95.3Very high91.9Very high32 Ų3233.6 Ų33.626%0.26418%0.181SC..Hα-helixtrans-60.3-37.1175.600000112.3L196 A197 E203 L204 L264L196-A200 WeakPolarHBondContact O-CB 3.43Å; L196-A200 PolarHBondContact O-N 3.48Å; A197-A200 PolarHBondContact O-N 3.39Å; A200-E203 PolarHBondContact O-N 3.36Å; A200-L204 WeakPolarHBondContact O-CB 3.31Å; A200-L204 PolarHBondContact O-N 2.89Å; A200-L264 HydrophobicContact CB-CD1 4.06Å; A200-L264 HydrophobicContact CB-CD2 3.97Å
201N94.5Very high91.6Very high17 Ų1731.7 Ų31.79%0.09117%0.171CC..Hα-helixtrans-63.7-45.3173.3-83.3-55.8000112.5A197 G198 V199 E203 L204 A205 S260 L264 H267A197-N201 PolarHBondContact O-N 2.95Å; A197-N201 PolarHBondContact O-ND2 2.9Å; G198-N201 WeakPolarHBondContact O-CB 3.4Å; G198-N201 PolarHBondContact O-N 3.33Å; V199-N201 VanDerWaalsContact C-N 3.28Å; V199-N201 PolarHBondContact O-N 3.34Å; N201-E203 VanDerWaalsContact C-N 3.3Å; N201-E203 PolarHBondContact O-N 3.3Å; N201-L204 PolarHBondContact O-N 2.97Å; N201-A205 WeakPolarHBondContact O-CB 3.21Å; N201-A205 PolarHBondContact O-N 2.87Å; N201-S260 PolarHBondContact ND2-O 3.24Å; N201-L264 WeakPolarHBondContact OD1-CA 3.45Å; N201-L264 PolarHBondContact OD1-N 3.12Å; N201-H267 PolarHBondContact OD1-ND1 3.2Å
202V93.4Very high91.2Very high31 Ų3134 Ų3419%0.18818%0.181CC..Hα-helixtrans-60.8-43.3176.4175.30000110.4G198 V199 A205 C206 R231G198-V202 WeakPolarHBondContact O-CG2 3.44Å; G198-V202 PolarHBondContact O-N 3.24Å; G198-V202 VanDerWaalsContact O-N 3.15Å; V199-V202 PolarHBondContact O-N 2.94Å; V199-V202 VanDerWaalsContact O-N 3.17Å; V202-A205 PolarHBondContact O-N 3.48Å; V202-C206 WeakPolarHBondContact O-CB 3.15Å; V202-C206 PolarHBondContact O-N 2.9Å; V202-R231 HydrophobicContact CG1-CG 4.13Å
203E92.2Very high90.6Very high15 Ų1531.5 Ų31.57%0.0717%0.17CC..Hα-helixtrans-68.3-41.9178.1-75.1-50.7129.700113.3V199 A200 N201 A205 C206 L207 R231 W235 Y303V199-E203 HydrophobicContact CG1-CG 4.36Å; V199-E203 WeakPolarHBondContact O-CB 2.9Å; V199-E203 WeakPolarHBondContact O-CG 3.16Å; V199-E203 PolarHBondContact O-N 2.97Å; A200-E203 PolarHBondContact O-N 3.36Å; N201-E203 VanDerWaalsContact C-N 3.3Å; N201-E203 PolarHBondContact O-N 3.3Å; E203-A205 VanDerWaalsContact C-N 3.32Å; E203-A205 PolarHBondContact O-N 3.41Å; E203-C206 CarbonylContact O-C 3.6Å; E203-C206 WeakPolarHBondContact O-CA 3.47Å; E203-C206 VanDerWaalsContact O-CB 3.3Å; E203-C206 WeakPolarHBondContact O-CB 3.28Å; E203-C206 PolarHBondContact O-N 2.91Å; E203-L207 WeakPolarHBondContact O-CB 3.13Å; E203-L207 WeakPolarHBondContact O-CG 3.14Å; E203-L207 PolarHBondContact O-N 3.46Å; E203-R231 IonicContact OE1-CZ 3.27Å; E203-R231 VanDerWaalsContact OE1-CZ 3.27Å; E203-R231 IonicContact OE1-NE 3.55Å; E203-R231 PolarHBondContact OE1-NE 3.39Å; E203-R231 IonicContact OE1-NH2 2.94Å; E203-R231 PolarHBondContact OE1-NH2 3.36Å; E203-R231 IonicContact OE2-CZ 3.51Å; E203-R231 IonicContact OE2-NE 3.28Å; E203-R231 IonicContact OE2-NH2 2.82Å; E203-R231 PolarHBondContact OE2-NH2 3.34Å; E203-W235 WeakPolarHBondContact OE1-CZ2 3.41Å; E203-W235 PolarHBondContact OE1-NE1 3.12Å; E203-Y303 WeakPolarHBondContact CG-OH 3.21Å; E203-Y303 PolarHBondContact OE2-OH 2.86Å
204L92Very high89.8Confident12 Ų1231.3 Ų31.36%0.06317%0.169CC..Hα-helixtrans-62.4-43.6176.8-173.556.7000110.8A200 N201 C206 L207 R208 L264 H267 I268 M271 L295A200-L204 WeakPolarHBondContact O-CB 3.31Å; A200-L204 PolarHBondContact O-N 2.89Å; N201-L204 PolarHBondContact O-N 2.97Å; L204-C206 PolarHBondContact O-N 3.36Å; L204-L207 PolarHBondContact O-N 2.75Å; L204-R208 HydrophobicContact CD1-CG 4.11Å; L204-R208 HydrophobicContact CG-CG 4.48Å; L204-R208 WeakPolarHBondContact O-CB 3.46Å; L204-R208 WeakPolarHBondContact O-CG 3.37Å; L204-R208 PolarHBondContact O-N 3.27Å; L204-L264 HydrophobicContact CD2-CD1 3.97Å; L204-H267 HydrophobicContact CD2-CB 3.48Å; L204-H267 VanDerWaalsContact CD2-CB 3.48Å; L204-H267 HydrophobicContact CG-CB 4.47Å; L204-I268 HydrophobicContact CD2-CG1 3.93Å; L204-M271 HydrophobicContact CD1-SD 3.89Å; L204-L295 HydrophobicContact CD1-CD1 3.77Å; L204-L295 HydrophobicContact CD1-CD2 3.59Å; L204-L295 HydrophobicContact CD1-CG 4.34Å
205A89.6Confident88.9Confident55 Ų5535.7 Ų35.746%0.45520%0.198SC..Hα-helixtrans-61.3-33.7173.700000112.3N201 V202 E203N201-A205 WeakPolarHBondContact O-CB 3.21Å; N201-A205 PolarHBondContact O-N 2.87Å; V202-A205 PolarHBondContact O-N 3.48Å; E203-A205 VanDerWaalsContact C-N 3.32Å; E203-A205 PolarHBondContact O-N 3.41Å
206C88.8Confident88Confident2 Ų244.7 Ų44.71%0.01424%0.236CC..Hα-helixtrans-68.3-54.5174.8165.10000111.7V202 E203 L204 R208 R209 Y227V202-C206 WeakPolarHBondContact O-CB 3.15Å; V202-C206 PolarHBondContact O-N 2.9Å; E203-C206 CarbonylContact O-C 3.6Å; E203-C206 WeakPolarHBondContact O-CA 3.47Å; E203-C206 VanDerWaalsContact O-CB 3.3Å; E203-C206 WeakPolarHBondContact O-CB 3.28Å; E203-C206 PolarHBondContact O-N 2.91Å; L204-C206 PolarHBondContact O-N 3.36Å; C206-R208 VanDerWaalsContact C-N 3.32Å; C206-R208 PolarHBondContact O-N 2.93Å; C206-R209 WeakPolarHBondContact O-CB 3.41Å; C206-R209 WeakPolarHBondContact O-CG 3.37Å; C206-R209 PolarHBondContact O-N 3.44Å; C206-Y227 WeakPolarHBondContact CA-OH 3.42Å; C206-Y227 HydrophobicContact CB-CE2 4.19Å; C206-Y227 WeakPolarHBondContact CB-OH 3.42Å; C206-Y227 PolarHBondContact O-OH 3.39Å; C206-Y227 VanDerWaalsContact SG-CZ 3.56Å; C206-Y227 PolarHBondContact SG-OH 3.47Å
207L87.9Confident87.2Confident7 Ų743.3 Ų43.34%0.03724%0.235CC..Hα-helixtrans-67.6-26.6-173.6-67.9176.2000114E203 L204 R209 L295 M299 Y303E203-L207 WeakPolarHBondContact O-CB 3.13Å; E203-L207 WeakPolarHBondContact O-CG 3.14Å; E203-L207 PolarHBondContact O-N 3.46Å; L204-L207 PolarHBondContact O-N 2.75Å; L207-R209 PolarHBondContact O-N 3.43Å; L207-L295 HydrophobicContact CB-CD1 3.43Å; L207-L295 VanDerWaalsContact CB-CD1 3.43Å; L207-L295 HydrophobicContact CB-CG 4.38Å; L207-L295 HydrophobicContact CD1-CD1 4.24Å; L207-L295 HydrophobicContact CD1-CG 4.41Å; L207-L295 HydrophobicContact CG-CD1 4.49Å; L207-M299 HydrophobicContact CD1-CB 4.2Å; L207-M299 HydrophobicContact CD1-CE 3.85Å; L207-M299 HydrophobicContact CD2-CB 4.2Å; L207-Y303 HydrophobicContact CD2-CE2 4.36Å
208R87.2Confident86.2Confident32 Ų3249.3 Ų49.312%0.12127%0.266CS..THydrogen-bonded Turntrans-73.7-3.8177.4-72.5-174.871.2-149.3-12.9114.4E76 L204 C206 M271 E287 L295E76-R208 IonicContact OE1-CZ 3.6Å; E76-R208 IonicContact OE1-NH1 3.46Å; E76-R208 PolarHBondContact OE1-NH1 2.84Å; E76-R208 IonicContact OE1-NH2 2.75Å; E76-R208 PolarHBondContact OE1-NH2 3.2Å; E76-R208 IonicContact OE2-CZ 2.72Å; E76-R208 IonicContact OE2-NH1 2.66Å; E76-R208 PolarHBondContact OE2-NH1 3.31Å; E76-R208 IonicContact OE2-NH2 3.49Å; E76-R208 PolarHBondContact OE2-NH2 3.18Å; L204-R208 HydrophobicContact CD1-CG 4.11Å; L204-R208 HydrophobicContact CG-CG 4.48Å; L204-R208 WeakPolarHBondContact O-CB 3.46Å; L204-R208 WeakPolarHBondContact O-CG 3.37Å; L204-R208 PolarHBondContact O-N 3.27Å; C206-R208 VanDerWaalsContact C-N 3.32Å; C206-R208 PolarHBondContact O-N 2.93Å; R208-M271 HydrophobicContact CG-CE 4.32Å; R208-M271 HydrophobicContact CG-SD 4.19Å; R208-E287 IonicContact NE-OE1 2.62Å; R208-L295 HydrophobicContact CG-CD1 4.03Å
209R84.8Confident85.4Confident87 Ų8751.4 Ų51.433%0.32828%0.28SS..SBendtrans-71.2148.5173.5-70.5-110.9-119.8-107.220.8111.4C206 L207 L211 Y227C206-R209 WeakPolarHBondContact O-CB 3.41Å; C206-R209 WeakPolarHBondContact O-CG 3.37Å; C206-R209 PolarHBondContact O-N 3.44Å; L207-R209 PolarHBondContact O-N 3.43Å; R209-L211 PolarHBondContact O-N 2.96Å; R209-Y227 HydrophobicContact CG-CE2 4.46Å; R209-Y227 VanDerWaalsContact NH2-CG 3.25Å
210P82.8Confident84.7Confident15 Ų1551.7 Ų51.710%0.09728%0.282CS..PPolyproline II helixtrans-59.7135.2171.926.1-33.3000110I87 F212I87-P210 HydrophobicContact CD1-CB 4.43Å; I87-P210 HydrophobicContact CG1-CB 4.24Å; P210-F212 HydrophobicContact CB-CE1 4.06Å; P210-F212 HydrophobicContact CB-CE2 4.4Å; P210-F212 HydrophobicContact CB-CZ 3.86Å; P210-F212 HydrophobicContact CG-CE1 4.32Å; P210-F212 HydrophobicContact CG-CE2 3.99Å; P210-F212 HydrophobicContact CG-CZ 3.61Å
211L83.3Confident83.9Confident12 Ų1252.4 Ų52.46%0.06328%0.281CS..PPolyproline II helixtrans-87.9128.4169.7-74.9-178.9000109.3R209 F213 V220 S298 Y301 R302R209-L211 PolarHBondContact O-N 2.96Å; L211-F213 HydrophobicContact CB-CE2 4.16Å; L211-V220 HydrophobicContact CD2-CG1 3.85Å; L211-S298 WeakPolarHBondContact CD1-OG 3.4Å; L211-Y301 HydrophobicContact CD1-CD2 4.23Å; L211-R302 HydrophobicContact CD2-CG 3.95Å
212F83.6Confident83.2Confident55 Ų5556.9 Ų56.924%0.24131%0.311CS..  trans-107.7133.3174.5-57.1-60.3000109.6A86 I87 Q90 P210 I221A86-F212 HydrophobicContact CB-CZ 3.94Å; I87-F212 HydrophobicContact CG1-CE1 4.14Å; Q90-F212 HydrophobicContact CB-CD1 3.86Å; Q90-F212 HydrophobicContact CB-CE1 3.79Å; Q90-F212 HydrophobicContact CG-CB 4.28Å; Q90-F212 HydrophobicContact CG-CD1 3.53Å; Q90-F212 HydrophobicContact CG-CE1 4.02Å; Q90-F212 HydrophobicContact CG-CG 4.01Å; P210-F212 HydrophobicContact CB-CE1 4.06Å; P210-F212 HydrophobicContact CB-CE2 4.4Å; P210-F212 HydrophobicContact CB-CZ 3.86Å; P210-F212 HydrophobicContact CG-CE1 4.32Å; P210-F212 HydrophobicContact CG-CE2 3.99Å; P210-F212 HydrophobicContact CG-CZ 3.61Å; F212-I221 HydrophobicContact CB-CB 4.3Å; F212-I221 HydrophobicContact CB-CD1 3.95Å; F212-I221 HydrophobicContact CB-CG1 4.4Å; F212-I221 PolarHBondContact O-N 2.89Å
213F81.6Confident82.6Confident64 Ų6457 Ų5728%0.28131%0.31SS..EExtended strand (participates in β ladder)trans-103.8140.7179.1-68.9-91.7000110.4L211 S219 V220 Y301L211-F213 HydrophobicContact CB-CE2 4.16Å; F213-S219 CarbonylContact C-O 3.55Å; F213-S219 WeakPolarHBondContact CA-O 3.47Å; F213-V220 HydrophobicContact CD1-CG2 4.12Å; F213-V220 HydrophobicContact CE1-CG2 3.64Å; F213-V220 HydrophobicContact CZ-CG2 4.06Å; F213-Y301 HydrophobicContact CE1-CD1 4.17Å; F213-Y301 AromaticContact CE1-CE1 3.97Å; F213-Y301 HydrophobicContact CE1-CE1 3.97Å; F213-Y301 HydrophobicContact CE1-CE2 4.49Å; F213-Y301 HydrophobicContact CZ-CD2 4.21Å; F213-Y301 HydrophobicContact CZ-CE1 4.35Å; F213-Y301 HydrophobicContact CZ-CE2 4.07Å; F213-Y301 HydrophobicContact CZ-CG 4.45Å
214N77.7Confident82.1Confident62 Ų6260.5 Ų60.533%0.33234%0.335SS..EExtended strand (participates in β ladder)trans-79.3120.1170.9-174.4-23.4000108.9K216 S217 N218 S219 I221N214-K216 PolarHBondContact O-N 3.23Å; N214-K216 PolarHBondContact OD1-N 2.96Å; N214-S217 PolarHBondContact O-N 2.84Å; N214-N218 WeakPolarHBondContact O-CA 3.36Å; N214-N218 PolarHBondContact O-N 3.48Å; N214-S219 PolarHBondContact N-O 3.38Å; N214-I221 HydrophobicContact CB-CG1 4.11Å
215P74.2Confident81.7Confident93 Ų9365.8 Ų65.860%0.60436%0.362SS*.THydrogen-bonded Turntrans-59.4-30.5-178.126.3-37.9000113.3
216K77.2Confident81.5Confident202 Ų20267.5 Ų67.588%0.87837%0.369SS*.THydrogen-bonded Turntrans-78.7-32.6-176.1-66.4-175.6177.4-177.80113.8N214N214-K216 PolarHBondContact O-N 3.23Å; N214-K216 PolarHBondContact OD1-N 2.96Å
217S77.8Confident81.2Confident77 Ų7768 Ų6854%0.53837%0.371SS..THydrogen-bonded Turntrans-113.7-6.3-172.4170.50000112.9N214 S219N214-S217 PolarHBondContact O-N 2.84Å; S217-S219 VanDerWaalsContact CB-OG 3.25Å; S217-S219 WeakPolarHBondContact CB-OG 3.2Å; S217-S219 PolarHBondContact O-N 3.06Å; S217-S219 WeakPolarHBondContact OG-CB 3.19Å; S217-S219 PolarHBondContact OG-OG 3.37Å
218N74.9Confident81.3Confident131 Ų13170.8 Ų70.870%0.70139%0.385SS*.THydrogen-bonded Turntrans48.126.9-169.3-160.529.9000113.5N214N214-N218 WeakPolarHBondContact O-CA 3.36Å; N214-N218 PolarHBondContact O-N 3.48Å
219S79.2Confident81.5Confident48 Ų4873.9 Ų73.934%0.33640%0.403SS..EExtended strand (participates in β ladder)trans-103.8152.7-178.5550000110.3F213 N214 S217 I221F213-S219 CarbonylContact C-O 3.55Å; F213-S219 WeakPolarHBondContact CA-O 3.47Å; N214-S219 PolarHBondContact N-O 3.38Å; S217-S219 VanDerWaalsContact CB-OG 3.25Å; S217-S219 WeakPolarHBondContact CB-OG 3.2Å; S217-S219 PolarHBondContact O-N 3.06Å; S217-S219 WeakPolarHBondContact OG-CB 3.19Å; S217-S219 PolarHBondContact OG-OG 3.37Å; S219-I221 PolarHBondContact O-N 2.93Å
220V80.3Confident81.7Confident37 Ų3774.5 Ų74.522%0.22442%0.417CS..EExtended strand (participates in β ladder)trans-67129.7175.7175.70000109.6L211 F213 P222 Y301L211-V220 HydrophobicContact CD2-CG1 3.85Å; F213-V220 HydrophobicContact CD1-CG2 4.12Å; F213-V220 HydrophobicContact CE1-CG2 3.64Å; F213-V220 HydrophobicContact CZ-CG2 4.06Å; V220-P222 WeakPolarHBondContact O-CD 3.41Å; V220-Y301 HydrophobicContact CG2-CD1 4.09Å; V220-Y301 HydrophobicContact CG2-CG 4.06Å
221I79.3Confident82.1Confident47 Ų4775.8 Ų75.824%0.24142%0.419CS..PPolyproline II helixtrans-66.7124.4172.2-61.1177000107.6F212 N214 S219F212-I221 HydrophobicContact CB-CB 4.3Å; F212-I221 HydrophobicContact CB-CD1 3.95Å; F212-I221 HydrophobicContact CB-CG1 4.4Å; F212-I221 PolarHBondContact O-N 2.89Å; N214-I221 HydrophobicContact CB-CG1 4.11Å; S219-I221 PolarHBondContact O-N 2.93Å
222P79.1Confident82.6Confident110 Ų11081.6 Ų81.671%0.71444%0.444SS*.PPolyproline II helixtrans-56.6141.6177.5-24.133.4000111.5V220V220-P222 WeakPolarHBondContact O-CD 3.41Å
223D81.8Confident83.1Confident34 Ų3481.6 Ų81.618%0.18246%0.455CS..PPolyproline II helixtrans-63150.1175.4-56.5-78.8000111.2Y227 N228 R302D223-Y227 HydrophobicContact CB-CD1 3.3Å; D223-Y227 HydrophobicContact CB-CE1 3.63Å; D223-Y227 HydrophobicContact CB-CG 4.3Å; D223-Y227 WeakPolarHBondContact OD2-CE1 3.23Å; D223-N228 PolarHBondContact O-ND2 3.17Å; D223-R302 VanDerWaalsContact CG-NH1 3.3Å; D223-R302 IonicContact OD1-CZ 3.44Å; D223-R302 IonicContact OD1-NH1 3.48Å; D223-R302 PolarHBondContact OD1-NH1 3.05Å; D223-R302 IonicContact OD1-NH2 3.62Å; D223-R302 PolarHBondContact OD1-NH2 2.91Å; D223-R302 IonicContact OD2-CZ 3.67Å; D223-R302 IonicContact OD2-NH1 3.52Å; D223-R302 PolarHBondContact OD2-NH1 3.14Å; D223-R302 IonicContact OD2-NH2 2.84Å
224P81Confident83.6Confident89 Ų8979.5 Ų79.558%0.57845%0.451SS*.PPolyproline II helixtrans-62.2145.9178.827.7-36.6000111.5P226 Y227 N228P224-P226 VanDerWaalsContact C-CD 3.42Å; P224-Y227 WeakPolarHBondContact O-CB 3.34Å; P224-Y227 PolarHBondContact O-N 3.46Å; P224-N228 PolarHBondContact O-N 3.42Å
225L82.7Confident84.4Confident123 Ų12380.4 Ų80.464%0.64445%0.45SS*.Hα-helixtrans-47.4-45.6-176.6178.866.7000114.7Y227 N228 I229L225-Y227 PolarHBondContact O-N 2.87Å; L225-Y227 VanDerWaalsContact O-N 3.12Å; L225-N228 PolarHBondContact O-N 2.82Å; L225-N228 VanDerWaalsContact O-N 3.1Å; L225-I229 HydrophobicContact CD1-CD1 4.18Å; L225-I229 HydrophobicContact CD1-CG1 4.25Å; L225-I229 HydrophobicContact CD2-CD1 4.43Å; L225-I229 HydrophobicContact CG-CD1 3.85Å; L225-I229 HydrophobicContact CG-CG1 4.37Å; L225-I229 WeakPolarHBondContact O-CG1 3.3Å; L225-I229 PolarHBondContact O-N 3.16Å
226P85.5Confident85.4Confident91 Ų9179 Ų7959%0.59144%0.439SS*.Hα-helixtrans-56.3-32.3179.7-26.936000113.8P224 V230P224-P226 VanDerWaalsContact C-CD 3.42Å; P226-V230 WeakPolarHBondContact O-CG2 3.3Å; P226-V230 PolarHBondContact O-N 3.31Å; P226-V230 VanDerWaalsContact O-N 3.08Å
227Y84.4Confident86.1Confident13 Ų1371.2 Ų71.25%0.05142%0.417CS..Hα-helixtrans-74.4-42.8177.2164.8-106.2000112.9C206 R209 D223 P224 L225 I229 V230 R231C206-Y227 WeakPolarHBondContact CA-OH 3.42Å; C206-Y227 HydrophobicContact CB-CE2 4.19Å; C206-Y227 WeakPolarHBondContact CB-OH 3.42Å; C206-Y227 PolarHBondContact O-OH 3.39Å; C206-Y227 VanDerWaalsContact SG-CZ 3.56Å; C206-Y227 PolarHBondContact SG-OH 3.47Å; R209-Y227 HydrophobicContact CG-CE2 4.46Å; R209-Y227 VanDerWaalsContact NH2-CG 3.25Å; D223-Y227 HydrophobicContact CB-CD1 3.3Å; D223-Y227 HydrophobicContact CB-CE1 3.63Å; D223-Y227 HydrophobicContact CB-CG 4.3Å; D223-Y227 WeakPolarHBondContact OD2-CE1 3.23Å; P224-Y227 WeakPolarHBondContact O-CB 3.34Å; P224-Y227 PolarHBondContact O-N 3.46Å; L225-Y227 PolarHBondContact O-N 2.87Å; L225-Y227 VanDerWaalsContact O-N 3.12Å; Y227-I229 PolarHBondContact O-N 3.45Å; Y227-V230 PolarHBondContact O-N 3.41Å; Y227-V230 VanDerWaalsContact O-N 3.09Å; Y227-R231 WeakPolarHBondContact O-CB 3.33Å; Y227-R231 PolarHBondContact O-N 3.14Å
228N88.1Confident86.9Confident65 Ų6568.8 Ų68.835%0.34840%0.398SS..Hα-helixtrans-60.7-35.2176.6-68.3-26.8000110.2D223 P224 L225 F232D223-N228 PolarHBondContact O-ND2 3.17Å; P224-N228 PolarHBondContact O-N 3.42Å; L225-N228 PolarHBondContact O-N 2.82Å; L225-N228 VanDerWaalsContact O-N 3.1Å; N228-F232 WeakPolarHBondContact O-CB 3.27Å; N228-F232 PolarHBondContact O-N 3.4Å
229I91.5Very high87.8Confident96 Ų9668.2 Ų68.249%0.49239%0.389SS..Hα-helixtrans-63.1-48.8171.9-65.5169.1000111.2L225 Y227 R231 F232 A233L225-I229 HydrophobicContact CD1-CD1 4.18Å; L225-I229 HydrophobicContact CD1-CG1 4.25Å; L225-I229 HydrophobicContact CD2-CD1 4.43Å; L225-I229 HydrophobicContact CG-CD1 3.85Å; L225-I229 HydrophobicContact CG-CG1 4.37Å; L225-I229 WeakPolarHBondContact O-CG1 3.3Å; L225-I229 PolarHBondContact O-N 3.16Å; Y227-I229 PolarHBondContact O-N 3.45Å; I229-R231 PolarHBondContact O-N 2.97Å; I229-F232 PolarHBondContact O-N 2.91Å; I229-A233 VanDerWaalsContact O-CB 3.29Å; I229-A233 WeakPolarHBondContact O-CB 3.46Å; I229-A233 PolarHBondContact O-N 3.2Å
230V89.7Confident88.5Confident101 Ų10169.4 Ų69.461%0.61240%0.395SS*.Hα-helixtrans-62.6-42.1178.7170.50000111.9P226 Y227 A233 G234P226-V230 WeakPolarHBondContact O-CG2 3.3Å; P226-V230 PolarHBondContact O-N 3.31Å; P226-V230 VanDerWaalsContact O-N 3.08Å; Y227-V230 PolarHBondContact O-N 3.41Å; Y227-V230 VanDerWaalsContact O-N 3.09Å; V230-A233 PolarHBondContact O-N 2.94Å; V230-G234 PolarHBondContact O-N 3.46Å
231R91.3Very high88.9Confident42 Ų4269.1 Ų69.116%0.15839%0.392CS..Hα-helixtrans-61-48.5175.5-178.1-176.1-179.5-167.12.4110.9V202 E203 Y227 I229 G234 W235 Y303V202-R231 HydrophobicContact CG1-CG 4.13Å; E203-R231 IonicContact OE1-CZ 3.27Å; E203-R231 VanDerWaalsContact OE1-CZ 3.27Å; E203-R231 IonicContact OE1-NE 3.55Å; E203-R231 PolarHBondContact OE1-NE 3.39Å; E203-R231 IonicContact OE1-NH2 2.94Å; E203-R231 PolarHBondContact OE1-NH2 3.36Å; E203-R231 IonicContact OE2-CZ 3.51Å; E203-R231 IonicContact OE2-NE 3.28Å; E203-R231 IonicContact OE2-NH2 2.82Å; E203-R231 PolarHBondContact OE2-NH2 3.34Å; Y227-R231 WeakPolarHBondContact O-CB 3.33Å; Y227-R231 PolarHBondContact O-N 3.14Å; I229-R231 PolarHBondContact O-N 2.97Å; R231-G234 PolarHBondContact O-N 3.14Å; R231-W235 PolarHBondContact O-N 3.43Å; R231-Y303 PolarHBondContact NH2-OH 2.87Å; R231-Y303 VanDerWaalsContact NH2-OH 3.13Å
232F93.5Very high89.5Confident133 Ų13370.1 Ų70.158%0.58340%0.395SS*.Hα-helixtrans-62.4-44.8178-178.6-101.8000112N228 I229 G234 W235 V236N228-F232 WeakPolarHBondContact O-CB 3.27Å; N228-F232 PolarHBondContact O-N 3.4Å; I229-F232 PolarHBondContact O-N 2.91Å; F232-G234 VanDerWaalsContact C-N 3.28Å; F232-G234 PolarHBondContact O-N 2.87Å; F232-W235 PolarHBondContact O-N 2.78Å; F232-V236 HydrophobicContact CD1-CG2 4.02Å; F232-V236 HydrophobicContact CD2-CG2 4.47Å; F232-V236 HydrophobicContact CE1-CG2 3.6Å; F232-V236 HydrophobicContact CE2-CG2 4.09Å; F232-V236 HydrophobicContact CG-CG2 4.45Å; F232-V236 HydrophobicContact CZ-CG2 3.63Å; F232-V236 WeakPolarHBondContact O-CG2 3.46Å; F232-V236 PolarHBondContact O-N 2.97Å
233A93.5Very high90Very high56 Ų5667.8 Ų67.846%0.46338%0.384SS..Hα-helixtrans-60.4-38.9174.800000111.8I229 V230 G237I229-A233 VanDerWaalsContact O-CB 3.29Å; I229-A233 WeakPolarHBondContact O-CB 3.46Å; I229-A233 PolarHBondContact O-N 3.2Å; V230-A233 PolarHBondContact O-N 2.94Å; A233-G237 PolarHBondContact O-N 3.28Å
234G93.4Very high90.3Very high20 Ų2068 Ų6821%0.20639%0.389CS..Hα-helixtrans-62.6-43.5173.400000112.7V230 R231 F232 N238V230-G234 PolarHBondContact O-N 3.46Å; R231-G234 PolarHBondContact O-N 3.14Å; F232-G234 VanDerWaalsContact C-N 3.28Å; F232-G234 PolarHBondContact O-N 2.87Å; G234-N238 PolarHBondContact O-N 3.16Å; G234-N238 VanDerWaalsContact O-N 3.12Å; G234-N238 PolarHBondContact O-ND2 2.97Å
235W93.7Very high90.6Very high80 Ų8063.9 Ų63.930%0.30336%0.362SS..Hα-helixtrans-63.1-52.6174.2-73.93.3000112E203 R231 F232 G237 N238 F239E203-W235 WeakPolarHBondContact OE1-CZ2 3.41Å; E203-W235 PolarHBondContact OE1-NE1 3.12Å; R231-W235 PolarHBondContact O-N 3.43Å; F232-W235 PolarHBondContact O-N 2.78Å; W235-G237 VanDerWaalsContact C-N 3.28Å; W235-G237 PolarHBondContact O-N 3.44Å; W235-N238 PolarHBondContact O-N 3.11Å; W235-N238 VanDerWaalsContact O-N 3.12Å; W235-F239 HydrophobicContact CB-CD2 4.43Å; W235-F239 HydrophobicContact CB-CE2 4.41Å; W235-F239 WeakPolarHBondContact O-CD2 3.3Å; W235-F239 PolarHBondContact O-N 3.17Å
236V95.2Very high90.8Very high63 Ų6361.2 Ų61.238%0.38235%0.353SS..Hα-helixtrans-55.6-46.5178.2172.50000110F232 N238 F239 T240F232-V236 HydrophobicContact CD1-CG2 4.02Å; F232-V236 HydrophobicContact CD2-CG2 4.47Å; F232-V236 HydrophobicContact CE1-CG2 3.6Å; F232-V236 HydrophobicContact CE2-CG2 4.09Å; F232-V236 HydrophobicContact CG-CG2 4.45Å; F232-V236 HydrophobicContact CZ-CG2 3.63Å; F232-V236 WeakPolarHBondContact O-CG2 3.46Å; F232-V236 PolarHBondContact O-N 2.97Å; V236-N238 VanDerWaalsContact C-N 3.35Å; V236-N238 PolarHBondContact O-N 3.11Å; V236-F239 PolarHBondContact O-N 2.91Å; V236-T240 WeakPolarHBondContact O-CB 3.41Å; V236-T240 PolarHBondContact O-N 3.15Å; V236-T240 PolarHBondContact O-OG1 3.02Å
237G93Very high90.8Very high40 Ų4063.9 Ų63.941%0.41236%0.356SS..Hα-helixtrans-57.7-42.4177.300000113.6A233 W235 L241A233-G237 PolarHBondContact O-N 3.28Å; W235-G237 VanDerWaalsContact C-N 3.28Å; W235-G237 PolarHBondContact O-N 3.44Å; G237-L241 WeakPolarHBondContact O-CB 3.5Å; G237-L241 PolarHBondContact O-N 3.32Å
238N93.7Very high90.9Very high26 Ų2665.1 Ų65.114%0.13936%0.362CS..Hα-helixtrans-70.2-39.3177.2-78.7-74.8000112.8G198 V199 G234 W235 V236 L241 F242G198-N238 VanDerWaalsContact CA-OD1 3.23Å; G198-N238 WeakPolarHBondContact CA-OD1 3.4Å; V199-N238 HydrophobicContact CG2-CB 3.99Å; G234-N238 PolarHBondContact O-N 3.16Å; G234-N238 VanDerWaalsContact O-N 3.12Å; G234-N238 PolarHBondContact O-ND2 2.97Å; W235-N238 PolarHBondContact O-N 3.11Å; W235-N238 VanDerWaalsContact O-N 3.12Å; V236-N238 VanDerWaalsContact C-N 3.35Å; V236-N238 PolarHBondContact O-N 3.11Å; N238-L241 PolarHBondContact O-N 3.35Å; N238-F242 PolarHBondContact O-N 3.46Å
239F94.3Very high90.9Very high118 Ų11862 Ų6252%0.51835%0.345SS..Hα-helixtrans-70.6-35.2175.4-74.1-63.7000112.6T195 V199 W235 V236 F242 A243T195-F239 HydrophobicContact CG2-CD1 4.05Å; T195-F239 HydrophobicContact CG2-CE1 4.1Å; V199-F239 HydrophobicContact CG2-CE2 4.4Å; V199-F239 HydrophobicContact CG2-CZ 4.43Å; W235-F239 HydrophobicContact CB-CD2 4.43Å; W235-F239 HydrophobicContact CB-CE2 4.41Å; W235-F239 WeakPolarHBondContact O-CD2 3.3Å; W235-F239 PolarHBondContact O-N 3.17Å; V236-F239 PolarHBondContact O-N 2.91Å; F239-F242 WeakPolarHBondContact O-CB 3.43Å; F239-F242 PolarHBondContact O-N 3.34Å; F239-A243 PolarHBondContact O-N 2.94Å; F239-A243 VanDerWaalsContact O-N 3.11Å
240T92.9Very high90.8Very high74 Ų7460.3 Ų60.345%0.45433%0.334SS..Hα-helixtrans-63.6-44.3170.4-60.70000110.2V236 F242 A243 C244V236-T240 WeakPolarHBondContact O-CB 3.41Å; V236-T240 PolarHBondContact O-N 3.15Å; V236-T240 PolarHBondContact O-OG1 3.02Å; T240-F242 VanDerWaalsContact C-N 3.31Å; T240-F242 PolarHBondContact O-N 3.14Å; T240-A243 PolarHBondContact O-N 3.41Å; T240-A243 VanDerWaalsContact O-N 3.16Å; T240-C244 WeakPolarHBondContact O-CB 3.43Å; T240-C244 PolarHBondContact O-N 3.1Å; T240-C244 PolarHBondContact O-SG 2.99Å
241L90.3Very high90.9Very high31 Ų3155.5 Ų55.516%0.16231%0.305CS..Hα-helixtrans-58.8-43.4176.2-169.466.5000111.4W151 G237 N238 A243 C244 C245 W256W151-L241 HydrophobicContact CZ2-CD1 4.47Å; G237-L241 WeakPolarHBondContact O-CB 3.5Å; G237-L241 PolarHBondContact O-N 3.32Å; N238-L241 PolarHBondContact O-N 3.35Å; L241-A243 PolarHBondContact O-N 3.09Å; L241-C244 PolarHBondContact O-N 3.29Å; L241-C244 VanDerWaalsContact O-N 3.14Å; L241-C245 PolarHBondContact O-N 2.83Å; L241-C245 PolarHBondContact O-SG 2.99Å; L241-W256 HydrophobicContact CD1-CD2 4.02Å; L241-W256 HydrophobicContact CD1-CE3 3.58Å; L241-W256 HydrophobicContact CD1-CH2 3.79Å; L241-W256 HydrophobicContact CD1-CZ2 4.23Å; L241-W256 HydrophobicContact CD1-CZ3 3.45Å; L241-W256 VanDerWaalsContact CD1-CZ3 3.45Å; L241-W256 HydrophobicContact CD2-CD2 4.43Å; L241-W256 HydrophobicContact CD2-CE3 4.27Å; L241-W256 HydrophobicContact CG-CE3 3.98Å; L241-W256 HydrophobicContact CG-CZ3 4.19Å
242F91.3Very high90.8Very high68 Ų6853.5 Ų53.530%0.29830%0.297SS..Hα-helixtrans-54-49.8173.4-175.7-101.5000112.6F188 P191 F192 T195 N238 F239 T240 C244 C245F188-F242 HydrophobicContact CD1-CZ 4.49Å; P191-F242 HydrophobicContact CB-CD2 3.59Å; P191-F242 HydrophobicContact CB-CE2 3.61Å; P191-F242 WeakPolarHBondContact O-CD2 3.36Å; F192-F242 HydrophobicContact CB-CE2 4.22Å; T195-F242 HydrophobicContact CG2-CB 4.35Å; T195-F242 VanDerWaalsContact OG1-CB 3.25Å; T195-F242 WeakPolarHBondContact OG1-CB 3.36Å; T195-F242 VanDerWaalsContact OG1-CD2 3.24Å; T195-F242 WeakPolarHBondContact OG1-CD2 3.09Å; N238-F242 PolarHBondContact O-N 3.46Å; F239-F242 WeakPolarHBondContact O-CB 3.43Å; F239-F242 PolarHBondContact O-N 3.34Å; T240-F242 VanDerWaalsContact C-N 3.31Å; T240-F242 PolarHBondContact O-N 3.14Å; F242-C244 VanDerWaalsContact C-N 3.28Å; F242-C244 PolarHBondContact O-N 3.18Å; F242-C245 WeakPolarHBondContact O-CB 3.26Å; F242-C245 PolarHBondContact O-N 3.32Å
243A90.2Very high90.8Very high60 Ų6047.2 Ų47.250%0.49627%0.27SS..Hα-helixtrans-65.6-33.817900000111.8F239 T240 L241 S246F239-A243 PolarHBondContact O-N 2.94Å; F239-A243 VanDerWaalsContact O-N 3.11Å; T240-A243 PolarHBondContact O-N 3.41Å; T240-A243 VanDerWaalsContact O-N 3.16Å; L241-A243 PolarHBondContact O-N 3.09Å; A243-S246 PolarHBondContact O-OG 3.16Å; A243-S246 VanDerWaalsContact O-OG 3.13Å
244C87.7Confident90.8Very high40 Ų4046 Ų4627%0.2726%0.255SS..Hα-helixtrans-74-24.4178.2-72.60000113.7T240 L241 F242 S246 F247 F248T240-C244 WeakPolarHBondContact O-CB 3.43Å; T240-C244 PolarHBondContact O-N 3.1Å; T240-C244 PolarHBondContact O-SG 2.99Å; L241-C244 PolarHBondContact O-N 3.29Å; L241-C244 VanDerWaalsContact O-N 3.14Å; F242-C244 VanDerWaalsContact C-N 3.28Å; F242-C244 PolarHBondContact O-N 3.18Å; C244-S246 PolarHBondContact O-N 3.43Å; C244-S246 VanDerWaalsContact O-N 3.08Å; C244-F247 PolarHBondContact O-N 3.14Å; C244-F248 HydrophobicContact CB-CD2 4.14Å; C244-F248 HydrophobicContact CB-CE2 3.9Å; C244-F248 WeakPolarHBondContact O-CD2 3.44Å
245C87.8Confident90.8Very high2 Ų245.1 Ų45.11%0.01425%0.245CC..THydrogen-bonded Turntrans-55.9-27.8-177.6-74.60000113.9C185 P191 L241 F242 F247 F248 V253C185-C245 WeakPolarHBondContact CB-O 3.46Å; P191-C245 HydrophobicContact CB-CB 3.94Å; P191-C245 HydrophobicContact CG-CB 3.76Å; L241-C245 PolarHBondContact O-N 2.83Å; L241-C245 PolarHBondContact O-SG 2.99Å; F242-C245 WeakPolarHBondContact O-CB 3.26Å; F242-C245 PolarHBondContact O-N 3.32Å; C245-F247 VanDerWaalsContact C-N 3.27Å; C245-F247 PolarHBondContact O-N 2.91Å; C245-F248 PolarHBondContact O-N 3.46Å; C245-V253 HydrophobicContact CB-CG1 4.43Å; C245-V253 HydrophobicContact CB-CG2 3.94Å
246S85.1Confident90.9Very high66 Ų6641.6 Ų41.646%0.46223%0.232SC..THydrogen-bonded Turntrans-71.8-18.4177.258.80000113.8P184 A243 C244P184-S246 WeakPolarHBondContact CB-O 3.2Å; A243-S246 PolarHBondContact O-OG 3.16Å; A243-S246 VanDerWaalsContact O-OG 3.13Å; C244-S246 PolarHBondContact O-N 3.43Å; C244-S246 VanDerWaalsContact O-N 3.08Å
247F86Confident90.8Very high147 Ų14739 Ų3965%0.64522%0.217SC*.THydrogen-bonded Turntrans-94.9-14.9178.5-61.1-79000113.1F164 C244 C245F164-F247 WeakPolarHBondContact CZ-O 3.41Å; C244-F247 PolarHBondContact O-N 3.14Å; C245-F247 VanDerWaalsContact C-N 3.27Å; C245-F247 PolarHBondContact O-N 2.91Å
248F87Confident90.9Very high40 Ų4038.4 Ų38.418%0.17521%0.205CC..SBendtrans-104.7152.1-175.7-71.5-66.2000111.9F19 P184 C185 C244 C245 F252 W256F19-F248 HydrophobicContact CE2-CE1 4.38Å; F19-F248 HydrophobicContact CZ-CE1 4.09Å; P184-F248 WeakPolarHBondContact CA-O 3.47Å; C185-F248 PolarHBondContact N-O 2.91Å; C244-F248 HydrophobicContact CB-CD2 4.14Å; C244-F248 HydrophobicContact CB-CE2 3.9Å; C244-F248 WeakPolarHBondContact O-CD2 3.44Å; C245-F248 PolarHBondContact O-N 3.46Å; F248-F252 HydrophobicContact CB-CB 4.33Å; F248-F252 HydrophobicContact CB-CD2 3.83Å; F248-F252 HydrophobicContact CB-CE2 4.49Å; F248-F252 HydrophobicContact CB-CG 4.4Å; F248-F252 AromaticContact CD1-CD2 3.6Å; F248-F252 HydrophobicContact CD1-CD2 3.6Å; F248-F252 AromaticContact CD1-CE2 3.54Å; F248-F252 HydrophobicContact CD1-CE2 3.54Å; F248-F252 HydrophobicContact CE1-CD2 4.38Å; F248-F252 HydrophobicContact CE1-CE2 4.1Å; F248-F252 AromaticContact CG-CD2 3.87Å; F248-F252 HydrophobicContact CG-CD2 3.87Å; F248-F252 HydrophobicContact CG-CE2 4.28Å; F248-W256 HydrophobicContact CB-CH2 4.19Å; F248-W256 HydrophobicContact CB-CZ3 4.42Å; F248-W256 AromaticContact CD2-CH2 3.44Å; F248-W256 HydrophobicContact CD2-CH2 3.44Å; F248-W256 VanDerWaalsContact CD2-CH2 3.44Å; F248-W256 AromaticContact CD2-CZ3 3.94Å; F248-W256 HydrophobicContact CD2-CZ3 3.94Å; F248-W256 AromaticContact CE2-CH2 3.87Å; F248-W256 HydrophobicContact CE2-CH2 3.87Å; F248-W256 AromaticContact CG-CH2 3.81Å; F248-W256 HydrophobicContact CG-CH2 3.81Å; F248-W256 HydrophobicContact CG-CZ3 4.41Å
249P87.6Confident90.9Very high0 Ų037.5 Ų37.50%020%0.201CC..BIsolated β-bridgetrans-61.3148.2177.426.5-35.1000111F164 A251 F252F164-P249 HydrophobicContact CB-CG 4.35Å; F164-P249 HydrophobicContact CD2-CG 4.32Å; F164-P249 HydrophobicContact CG-CG 4.19Å; P249-A251 PolarHBondContact O-N 3.1Å; P249-A251 VanDerWaalsContact O-N 3.1Å; P249-F252 HydrophobicContact CG-CD1 3.57Å; P249-F252 HydrophobicContact CG-CD2 4.25Å; P249-F252 HydrophobicContact CG-CE1 3.49Å; P249-F252 VanDerWaalsContact CG-CE1 3.49Å; P249-F252 HydrophobicContact CG-CE2 4.23Å; P249-F252 HydrophobicContact CG-CG 3.9Å; P249-F252 HydrophobicContact CG-CZ 3.82Å; P249-F252 WeakPolarHBondContact O-CB 3.34Å; P249-F252 PolarHBondContact O-N 3.11Å
250K90Very high90.9Very high59 Ų5932.8 Ų32.826%0.25718%0.183SC..Hα-helixtrans-53.9-33.1179.2-71.6178.8-160.7-133.10112.7L181 V183 P184 C185 S186 F252 V253 I254L181-K250 HydrophobicContact CD2-CB 4.42Å; L181-K250 PolarHBondContact O-N 3.19Å; L181-K250 VanDerWaalsContact O-N 3.09Å; V183-K250 WeakPolarHBondContact O-CG 3.46Å; V183-K250 PolarHBondContact O-N 3Å; P184-K250 WeakPolarHBondContact O-CE 3.46Å; C185-K250 HydrophobicContact CB-CG 4.07Å; S186-K250 PolarHBondContact OG-NZ 3.07Å; K250-F252 PolarHBondContact O-N 2.77Å; K250-V253 PolarHBondContact O-N 3.14Å; K250-V253 VanDerWaalsContact O-N 3.11Å; K250-I254 WeakPolarHBondContact O-CG1 3.2Å; K250-I254 PolarHBondContact O-N 3.27Å
251A90.8Very high91.1Very high0 Ų031.9 Ų31.90%018%0.177CC..Hα-helixtrans-53.2-39.4174.800000113.2I56 I158 I176 L181 P249 Y255I56-A251 HydrophobicContact CD1-CB 3.9Å; I158-A251 HydrophobicContact CG2-CB 3.48Å; I158-A251 VanDerWaalsContact CG2-CB 3.48Å; I176-A251 HydrophobicContact CD1-CB 4.16Å; L181-A251 HydrophobicContact CB-CB 4.36Å; L181-A251 PolarHBondContact O-N 3.07Å; P249-A251 PolarHBondContact O-N 3.1Å; P249-A251 VanDerWaalsContact O-N 3.1Å; A251-Y255 PolarHBondContact O-N 3.49Å
252F91Very high91.3Very high1 Ų131.4 Ų31.40%0.00417%0.174CC..Hα-helixtrans-68.2-45.3177.4-72.518.5000110.7T155 I158 R159 F248 P249 K250 I254 Y255 W256T155-F252 HydrophobicContact CG2-CD2 3.8Å; T155-F252 HydrophobicContact CG2-CE2 3.93Å; T155-F252 HydrophobicContact CG2-CG 4.23Å; T155-F252 HydrophobicContact CG2-CZ 4.49Å; I158-F252 HydrophobicContact CB-CD1 4.06Å; I158-F252 HydrophobicContact CB-CE1 4.08Å; I158-F252 HydrophobicContact CG2-CD1 3.62Å; I158-F252 HydrophobicContact CG2-CE1 3.82Å; R159-F252 VanDerWaalsContact CA-CE1 3.46Å; R159-F252 HydrophobicContact CB-CE1 3.88Å; R159-F252 HydrophobicContact CB-CZ 3.43Å; R159-F252 VanDerWaalsContact CB-CZ 3.43Å; R159-F252 HydrophobicContact CG-CZ 3.81Å; R159-F252 VanDerWaalsContact N-CE1 3.33Å; F248-F252 HydrophobicContact CB-CB 4.33Å; F248-F252 HydrophobicContact CB-CD2 3.83Å; F248-F252 HydrophobicContact CB-CE2 4.49Å; F248-F252 HydrophobicContact CB-CG 4.4Å; F248-F252 AromaticContact CD1-CD2 3.6Å; F248-F252 HydrophobicContact CD1-CD2 3.6Å; F248-F252 AromaticContact CD1-CE2 3.54Å; F248-F252 HydrophobicContact CD1-CE2 3.54Å; F248-F252 HydrophobicContact CE1-CD2 4.38Å; F248-F252 HydrophobicContact CE1-CE2 4.1Å; F248-F252 AromaticContact CG-CD2 3.87Å; F248-F252 HydrophobicContact CG-CD2 3.87Å; F248-F252 HydrophobicContact CG-CE2 4.28Å; P249-F252 HydrophobicContact CG-CD1 3.57Å; P249-F252 HydrophobicContact CG-CD2 4.25Å; P249-F252 HydrophobicContact CG-CE1 3.49Å; P249-F252 VanDerWaalsContact CG-CE1 3.49Å; P249-F252 HydrophobicContact CG-CE2 4.23Å; P249-F252 HydrophobicContact CG-CG 3.9Å; P249-F252 HydrophobicContact CG-CZ 3.82Å; P249-F252 WeakPolarHBondContact O-CB 3.34Å; P249-F252 PolarHBondContact O-N 3.11Å; K250-F252 PolarHBondContact O-N 2.77Å; F252-I254 VanDerWaalsContact C-N 3.29Å; F252-I254 PolarHBondContact O-N 2.95Å; F252-Y255 WeakPolarHBondContact O-CB 3.43Å; F252-Y255 PolarHBondContact O-N 3.44Å; F252-Y255 VanDerWaalsContact O-N 3.16Å; F252-W256 HydrophobicContact CB-CD2 4.34Å; F252-W256 HydrophobicContact CB-CH2 4.24Å; F252-W256 HydrophobicContact CB-CZ2 4.03Å; F252-W256 HydrophobicContact CB-CZ3 4.46Å; F252-W256 HydrophobicContact CD2-CH2 4.1Å; F252-W256 AromaticContact CD2-CZ2 3.83Å; F252-W256 HydrophobicContact CD2-CZ2 3.83Å; F252-W256 HydrophobicContact CG-CZ2 4.34Å; F252-W256 PolarHBondContact O-N 3.28Å
253V92.3Very high91.4Very high0 Ų029 Ų290%016%0.164CC..Hα-helixtrans-64.8-37.2-177-170.20000110.6C185 L190 P191 C245 K250 W256 C257C185-V253 HydrophobicContact CB-CG2 3.9Å; L190-V253 HydrophobicContact CB-CG1 4.3Å; L190-V253 HydrophobicContact CD2-CB 3.92Å; L190-V253 HydrophobicContact CD2-CG1 3.66Å; L190-V253 HydrophobicContact CG-CG1 3.79Å; P191-V253 HydrophobicContact CG-CG1 4.02Å; C245-V253 HydrophobicContact CB-CG1 4.43Å; C245-V253 HydrophobicContact CB-CG2 3.94Å; K250-V253 PolarHBondContact O-N 3.14Å; K250-V253 VanDerWaalsContact O-N 3.11Å; V253-W256 PolarHBondContact O-N 3.03Å; V253-C257 WeakPolarHBondContact O-CB 3.36Å; V253-C257 PolarHBondContact O-N 2.67Å
254I93.5Very high91.6Very high31 Ų3127.9 Ų27.916%0.15915%0.149CC..Hα-helixtrans-59.4-52.2172.2-69.1174.4000109.8I56 L181 L190 K250 F252 W256 C257 T258I56-I254 HydrophobicContact CG2-CG2 4.3Å; L181-I254 HydrophobicContact CD2-CD1 3.3Å; L190-I254 HydrophobicContact CD2-CB 4.42Å; L190-I254 HydrophobicContact CD2-CG1 3.6Å; K250-I254 WeakPolarHBondContact O-CG1 3.2Å; K250-I254 PolarHBondContact O-N 3.27Å; F252-I254 VanDerWaalsContact C-N 3.29Å; F252-I254 PolarHBondContact O-N 2.95Å; I254-W256 PolarHBondContact O-N 3.13Å; I254-C257 PolarHBondContact O-N 2.92Å; I254-T258 WeakPolarHBondContact O-CB 3.3Å; I254-T258 PolarHBondContact O-N 2.97Å; I254-T258 PolarHBondContact O-OG1 2.84Å; I254-T258 VanDerWaalsContact O-OG1 3.05Å
255Y94.1Very high91.9Very high1 Ų128.9 Ų28.90%0.00416%0.156CC..Hα-helixtrans-58.3-48178.4165.6-112.2000112.7A60 R64 W151 F154 T155 I158 A251 F252 C257 T258 S259A60-Y255 HydrophobicContact CB-CD2 3.71Å; A60-Y255 HydrophobicContact CB-CE2 3.9Å; R64-Y255 PolarHBondContact NH1-OH 2.93Å; W151-Y255 VanDerWaalsContact CA-OH 3.31Å; W151-Y255 WeakPolarHBondContact CA-OH 3.31Å; W151-Y255 AromaticContact CD1-CE1 3.57Å; W151-Y255 AromaticContact CD1-CZ 3.76Å; W151-Y255 VanDerWaalsContact CD1-OH 3.32Å; W151-Y255 HydrophobicContact CG-CE1 4.35Å; W151-Y255 AromaticContact NE1-CE1 3.75Å; W151-Y255 PolarHBondContact O-OH 3.08Å; F154-Y255 HydrophobicContact CB-CE1 4.01Å; F154-Y255 HydrophobicContact CB-CE2 3.89Å; F154-Y255 WeakPolarHBondContact CB-OH 3.48Å; F154-Y255 HydrophobicContact CD1-CD1 4.23Å; F154-Y255 AromaticContact CD1-CD2 3.38Å; F154-Y255 HydrophobicContact CD1-CD2 3.38Å; F154-Y255 HydrophobicContact CD1-CE1 4.21Å; F154-Y255 AromaticContact CD1-CE2 3.34Å; F154-Y255 HydrophobicContact CD1-CE2 3.34Å; F154-Y255 AromaticContact CD1-CG 3.85Å; F154-Y255 HydrophobicContact CD1-CG 3.85Å; F154-Y255 AromaticContact CD1-CZ 3.79Å; F154-Y255 HydrophobicContact CD2-CE2 4.14Å; F154-Y255 AromaticContact CE1-CD2 3.57Å; F154-Y255 HydrophobicContact CE1-CD2 3.57Å; F154-Y255 AromaticContact CE1-CE2 3.84Å; F154-Y255 HydrophobicContact CE1-CE2 3.84Å; F154-Y255 HydrophobicContact CE1-CG 4.24Å; F154-Y255 HydrophobicContact CG-CD2 4.06Å; F154-Y255 HydrophobicContact CG-CE1 4.4Å; F154-Y255 AromaticContact CG-CE2 3.51Å; F154-Y255 HydrophobicContact CG-CE2 3.51Å; F154-Y255 AromaticContact CG-CZ 3.72Å; F154-Y255 HydrophobicContact CZ-CD2 4.39Å; F154-Y255 HydrophobicContact CZ-CE2 4.41Å; T155-Y255 WeakPolarHBondContact OG1-CE1 3.41Å; I158-Y255 VanDerWaalsContact CD1-CB 3.43Å; I158-Y255 HydrophobicContact CD1-CD1 4.12Å; I158-Y255 HydrophobicContact CD1-CD2 4.37Å; I158-Y255 HydrophobicContact CD1-CG 3.71Å; A251-Y255 PolarHBondContact O-N 3.49Å; F252-Y255 WeakPolarHBondContact O-CB 3.43Å; F252-Y255 PolarHBondContact O-N 3.44Å; F252-Y255 VanDerWaalsContact O-N 3.16Å; Y255-C257 VanDerWaalsContact C-N 3.34Å; Y255-C257 PolarHBondContact O-N 3.46Å; Y255-T258 PolarHBondContact O-N 3.32Å; Y255-S259 WeakPolarHBondContact O-CB 3.4Å; Y255-S259 PolarHBondContact O-N 3.1Å
256W94.6Very high92.1Very high6 Ų630 Ų302%0.02316%0.161CC..Hα-helixtrans-62.9-41.2179.4-63.4-17.8000112.1W151 T155 C194 L241 F248 F252 V253 I254 S260W151-W256 AromaticContact CE2-CD1 3.62Å; W151-W256 AromaticContact CE2-NE1 3.58Å; W151-W256 AromaticContact CZ2-CD1 3.62Å; W151-W256 HydrophobicContact CZ2-CD2 4.25Å; W151-W256 AromaticContact CZ2-CE2 3.7Å; W151-W256 HydrophobicContact CZ2-CG 4.19Å; W151-W256 HydrophobicContact CZ2-CZ2 4.26Å; W151-W256 AromaticContact CZ2-NE1 3.29Å; W151-W256 VanDerWaalsContact CZ2-NE1 3.29Å; W151-W256 AromaticContact NE1-CD1 3.2Å; W151-W256 AromaticContact NE1-NE1 3.64Å; T155-W256 HydrophobicContact CG2-CZ2 3.85Å; T155-W256 PolarHBondContact OG1-NE1 2.87Å; T155-W256 VanDerWaalsContact OG1-NE1 3.14Å; C194-W256 VanDerWaalsContact SG-C 3.54Å; L241-W256 HydrophobicContact CD1-CD2 4.02Å; L241-W256 HydrophobicContact CD1-CE3 3.58Å; L241-W256 HydrophobicContact CD1-CH2 3.79Å; L241-W256 HydrophobicContact CD1-CZ2 4.23Å; L241-W256 HydrophobicContact CD1-CZ3 3.45Å; L241-W256 VanDerWaalsContact CD1-CZ3 3.45Å; L241-W256 HydrophobicContact CD2-CD2 4.43Å; L241-W256 HydrophobicContact CD2-CE3 4.27Å; L241-W256 HydrophobicContact CG-CE3 3.98Å; L241-W256 HydrophobicContact CG-CZ3 4.19Å; F248-W256 HydrophobicContact CB-CH2 4.19Å; F248-W256 HydrophobicContact CB-CZ3 4.42Å; F248-W256 AromaticContact CD2-CH2 3.44Å; F248-W256 HydrophobicContact CD2-CH2 3.44Å; F248-W256 VanDerWaalsContact CD2-CH2 3.44Å; F248-W256 AromaticContact CD2-CZ3 3.94Å; F248-W256 HydrophobicContact CD2-CZ3 3.94Å; F248-W256 AromaticContact CE2-CH2 3.87Å; F248-W256 HydrophobicContact CE2-CH2 3.87Å; F248-W256 AromaticContact CG-CH2 3.81Å; F248-W256 HydrophobicContact CG-CH2 3.81Å; F248-W256 HydrophobicContact CG-CZ3 4.41Å; F252-W256 HydrophobicContact CB-CD2 4.34Å; F252-W256 HydrophobicContact CB-CH2 4.24Å; F252-W256 HydrophobicContact CB-CZ2 4.03Å; F252-W256 HydrophobicContact CB-CZ3 4.46Å; F252-W256 HydrophobicContact CD2-CH2 4.1Å; F252-W256 AromaticContact CD2-CZ2 3.83Å; F252-W256 HydrophobicContact CD2-CZ2 3.83Å; F252-W256 HydrophobicContact CG-CZ2 4.34Å; F252-W256 PolarHBondContact O-N 3.28Å; V253-W256 PolarHBondContact O-N 3.03Å; I254-W256 PolarHBondContact O-N 3.13Å; W256-S260 WeakPolarHBondContact O-CB 3.47Å; W256-S260 PolarHBondContact O-N 3.23Å; W256-S260 PolarHBondContact O-OG 2.96Å
257C94.5Very high92.4Very high10 Ų1028.1 Ų28.17%0.06815%0.145CC..Hα-helixtrans-63.4-54175.8-175.70000110.8L190 C194 V253 I254 Y255 S259 S260 V261L190-C257 HydrophobicContact CD1-CB 3.77Å; L190-C257 HydrophobicContact CG-CB 4.16Å; C194-C257 HydrophobicContact CB-CB 3.89Å; V253-C257 WeakPolarHBondContact O-CB 3.36Å; V253-C257 PolarHBondContact O-N 2.67Å; I254-C257 PolarHBondContact O-N 2.92Å; Y255-C257 VanDerWaalsContact C-N 3.34Å; Y255-C257 PolarHBondContact O-N 3.46Å; C257-S259 VanDerWaalsContact C-N 3.29Å; C257-S259 PolarHBondContact O-N 2.86Å; C257-S260 PolarHBondContact O-N 2.88Å; C257-S260 VanDerWaalsContact O-N 3.14Å; C257-V261 WeakPolarHBondContact O-CG2 3.36Å; C257-V261 PolarHBondContact O-N 3.49Å
258T95.1Very high92.7Very high26 Ų2624.6 Ų24.616%0.1613%0.132CC..Hα-helixtrans-58-43.4178.5-60.10000111.3A57 A60 I61 I254 Y255 S260 V261 H262A57-T258 HydrophobicContact CB-CG2 3.96Å; A60-T258 HydrophobicContact CB-CG2 4.49Å; I61-T258 HydrophobicContact CD1-CG2 3.92Å; I61-T258 HydrophobicContact CG1-CG2 3.73Å; I254-T258 WeakPolarHBondContact O-CB 3.3Å; I254-T258 PolarHBondContact O-N 2.97Å; I254-T258 PolarHBondContact O-OG1 2.84Å; I254-T258 VanDerWaalsContact O-OG1 3.05Å; Y255-T258 PolarHBondContact O-N 3.32Å; T258-S260 PolarHBondContact O-N 3.45Å; T258-V261 PolarHBondContact O-N 2.9Å; T258-H262 WeakPolarHBondContact O-CB 3.44Å; T258-H262 PolarHBondContact O-N 2.98Å
259S93.7Very high92.9Very high8 Ų827 Ų276%0.05615%0.147CC..Hα-helixtrans-61.2-43.8177-177.60000111.8R64 Y255 C257 Q263R64-S259 WeakPolarHBondContact CD-OG 3.43Å; R64-S259 PolarHBondContact NE-OG 3.33Å; R64-S259 PolarHBondContact NH1-OG 2.87Å; Y255-S259 WeakPolarHBondContact O-CB 3.4Å; Y255-S259 PolarHBondContact O-N 3.1Å; C257-S259 VanDerWaalsContact C-N 3.29Å; C257-S259 PolarHBondContact O-N 2.86Å; S259-Q263 WeakPolarHBondContact O-CB 3.48Å; S259-Q263 PolarHBondContact O-N 3.11Å
260S94.4Very high93Very high19 Ų1927.6 Ų27.613%0.13315%0.149CC..Hα-helixtrans-69.8-40.5-178.7-58.60000112N201 W256 C257 T258 L264N201-S260 PolarHBondContact ND2-O 3.24Å; W256-S260 WeakPolarHBondContact O-CB 3.47Å; W256-S260 PolarHBondContact O-N 3.23Å; W256-S260 PolarHBondContact O-OG 2.96Å; C257-S260 PolarHBondContact O-N 2.88Å; C257-S260 VanDerWaalsContact O-N 3.14Å; T258-S260 PolarHBondContact O-N 3.45Å; S260-L264 PolarHBondContact O-N 2.92Å
261V96Very high92.9Very high55 Ų5524.9 Ų24.933%0.33314%0.138SC..Hα-helixtrans-67.6-48.3176.2172.80000110.7I193 A197 C257 T258 Q263 L264 C265I193-V261 HydrophobicContact CG2-CG2 4.16Å; A197-V261 HydrophobicContact CB-CG2 3.88Å; C257-V261 WeakPolarHBondContact O-CG2 3.36Å; C257-V261 PolarHBondContact O-N 3.49Å; T258-V261 PolarHBondContact O-N 2.9Å; V261-Q263 VanDerWaalsContact C-N 3.28Å; V261-Q263 PolarHBondContact O-N 3.41Å; V261-L264 WeakPolarHBondContact O-CB 3.5Å; V261-L264 PolarHBondContact O-N 3.48Å; V261-L264 VanDerWaalsContact O-N 3.1Å; V261-C265 PolarHBondContact O-N 2.8Å; V261-C265 PolarHBondContact O-SG 3.29Å
262H94.9Very high92.9Very high20 Ų2028.7 Ų28.79%0.09316%0.156CC..Hα-helixtrans-55.3-45.9175.4174.7-92.2000111.2T65 T258 L264 C265 I266T65-H262 PolarHBondContact OG1-NE2 2.91Å; T258-H262 WeakPolarHBondContact O-CB 3.44Å; T258-H262 PolarHBondContact O-N 2.98Å; H262-L264 VanDerWaalsContact C-N 3.31Å; H262-L264 PolarHBondContact O-N 2.9Å; H262-C265 WeakPolarHBondContact O-CB 3.36Å; H262-C265 PolarHBondContact O-N 3.49Å; H262-I266 WeakPolarHBondContact O-CG1 3.23Å; H262-I266 PolarHBondContact O-N 3.42Å
263Q93Very high92.8Very high19 Ų1931.3 Ų31.39%0.08917%0.173CC..Hα-helixtrans-57.6-43.9176.9-173.755.35300112.6Y72 S259 V261 I266 H267Y72-Q263 VanDerWaalsContact CE2-NE2 3.25Å; Y72-Q263 VanDerWaalsContact CE2-OE1 3.25Å; Y72-Q263 PolarHBondContact OH-NE2 3.04Å; Y72-Q263 PolarHBondContact OH-OE1 3.03Å; S259-Q263 WeakPolarHBondContact O-CB 3.48Å; S259-Q263 PolarHBondContact O-N 3.11Å; V261-Q263 VanDerWaalsContact C-N 3.28Å; V261-Q263 PolarHBondContact O-N 3.41Å; Q263-I266 PolarHBondContact O-N 2.86Å; Q263-H267 PolarHBondContact NE2-CD2 2.95Å; Q263-H267 PolarHBondContact NE2-CE1 3.46Å; Q263-H267 PolarHBondContact NE2-NE2 3.07Å; Q263-H267 VanDerWaalsContact O-CG 3.32Å; Q263-H267 PolarHBondContact O-N 3.33Å; Q263-H267 PolarHBondContact O-ND1 3.23Å
264L94.3Very high92.6Very high36 Ų3638.7 Ų38.719%0.18820%0.201CC..Hα-helixtrans-65.4-44.2177.7-177.562.3000111.2A200 N201 L204 S260 V261 H262 I266 H267 I268A200-L264 HydrophobicContact CB-CD1 4.06Å; A200-L264 HydrophobicContact CB-CD2 3.97Å; N201-L264 WeakPolarHBondContact OD1-CA 3.45Å; N201-L264 PolarHBondContact OD1-N 3.12Å; L204-L264 HydrophobicContact CD2-CD1 3.97Å; S260-L264 PolarHBondContact O-N 2.92Å; V261-L264 WeakPolarHBondContact O-CB 3.5Å; V261-L264 PolarHBondContact O-N 3.48Å; V261-L264 VanDerWaalsContact O-N 3.1Å; H262-L264 VanDerWaalsContact C-N 3.31Å; H262-L264 PolarHBondContact O-N 2.9Å; L264-I266 PolarHBondContact O-N 3.08Å; L264-H267 PolarHBondContact O-N 3.18Å; L264-I268 HydrophobicContact CD1-CD1 4.07Å; L264-I268 HydrophobicContact CD1-CG1 4.43Å; L264-I268 HydrophobicContact CG-CD1 3.96Å; L264-I268 WeakPolarHBondContact O-CG1 3.4Å; L264-I268 PolarHBondContact O-N 3.28Å
265C94.6Very high92.4Very high61 Ų6139.1 Ų39.141%0.41220%0.204SC..Hα-helixtrans-57.9-48.6175.9-680000111.2V261 H262 H267 I268 L269V261-C265 PolarHBondContact O-N 2.8Å; V261-C265 PolarHBondContact O-SG 3.29Å; H262-C265 WeakPolarHBondContact O-CB 3.36Å; H262-C265 PolarHBondContact O-N 3.49Å; C265-H267 PolarHBondContact O-N 2.64Å; C265-I268 PolarHBondContact O-N 2.87Å; C265-L269 WeakPolarHBondContact O-CB 3.39Å; C265-L269 WeakPolarHBondContact O-CG 3.47Å; C265-L269 PolarHBondContact O-N 3.01Å
266I92.6Very high92.2Very high24 Ų2439.6 Ų39.612%0.12321%0.206CC..Hα-helixtrans-61.3-43.9178.2-65.4-59000111.3V69 Y72 H262 Q263 L264 I268 L269 I270V69-I266 HydrophobicContact CG2-CD1 4.03Å; Y72-I266 HydrophobicContact CD2-CG2 3.75Å; Y72-I266 HydrophobicContact CE2-CG2 4.42Å; Y72-I266 HydrophobicContact CG-CG2 4.23Å; H262-I266 WeakPolarHBondContact O-CG1 3.23Å; H262-I266 PolarHBondContact O-N 3.42Å; Q263-I266 PolarHBondContact O-N 2.86Å; L264-I266 PolarHBondContact O-N 3.08Å; I266-I268 VanDerWaalsContact C-N 3.32Å; I266-I268 PolarHBondContact O-N 2.83Å; I266-L269 PolarHBondContact O-N 3.34Å; I266-I270 WeakPolarHBondContact O-CB 3.48Å; I266-I270 PolarHBondContact O-N 3.31Å
267H90.6Very high91.9Very high28 Ų2849.7 Ų49.713%0.1324%0.244CC..Hα-helixtrans-61-38.6176.8-73.5158.4000112.9Y72 N201 L204 Q263 L264 C265 M271Y72-H267 AromaticContact CE1-NE2 3.69Å; N201-H267 PolarHBondContact OD1-ND1 3.2Å; L204-H267 HydrophobicContact CD2-CB 3.48Å; L204-H267 VanDerWaalsContact CD2-CB 3.48Å; L204-H267 HydrophobicContact CG-CB 4.47Å; Q263-H267 PolarHBondContact NE2-CD2 2.95Å; Q263-H267 PolarHBondContact NE2-CE1 3.46Å; Q263-H267 PolarHBondContact NE2-NE2 3.07Å; Q263-H267 VanDerWaalsContact O-CG 3.32Å; Q263-H267 PolarHBondContact O-N 3.33Å; Q263-H267 PolarHBondContact O-ND1 3.23Å; L264-H267 PolarHBondContact O-N 3.18Å; C265-H267 PolarHBondContact O-N 2.64Å; H267-M271 WeakPolarHBondContact O-CG 3.38Å
268I92.5Very high91.7Very high73 Ų7354.4 Ų54.437%0.37427%0.268SS..Hα-helixtrans-73-40177.8-68.6170.5000111.2L204 L264 C265 I266 M271 Y292L204-I268 HydrophobicContact CD2-CG1 3.93Å; L264-I268 HydrophobicContact CD1-CD1 4.07Å; L264-I268 HydrophobicContact CD1-CG1 4.43Å; L264-I268 HydrophobicContact CG-CD1 3.96Å; L264-I268 WeakPolarHBondContact O-CG1 3.4Å; L264-I268 PolarHBondContact O-N 3.28Å; C265-I268 PolarHBondContact O-N 2.87Å; I266-I268 VanDerWaalsContact C-N 3.32Å; I266-I268 PolarHBondContact O-N 2.83Å; I268-M271 WeakPolarHBondContact O-CB 3.47Å; I268-M271 PolarHBondContact O-N 3.33Å; I268-Y292 HydrophobicContact CG2-CE1 4.13Å; I268-Y292 PolarHBondContact O-OH 3.38Å
269L92Very high91.3Very high91 Ų9156.5 Ų56.548%0.47628%0.275SS..Hα-helixtrans-65.3-43.3178.7-73.2171.3000111.3C265 I266 M271 H272 L275C265-L269 WeakPolarHBondContact O-CB 3.39Å; C265-L269 WeakPolarHBondContact O-CG 3.47Å; C265-L269 PolarHBondContact O-N 3.01Å; I266-L269 PolarHBondContact O-N 3.34Å; L269-M271 PolarHBondContact O-N 3.05Å; L269-M271 VanDerWaalsContact O-N 3.15Å; L269-H272 WeakPolarHBondContact O-CB 3.37Å; L269-H272 PolarHBondContact O-N 3.47Å; L269-L275 HydrophobicContact CB-CD1 3.89Å; L269-L275 HydrophobicContact CD2-CD1 4.27Å; L269-L275 VanDerWaalsContact O-CD1 3.23Å; L269-L275 WeakPolarHBondContact O-CD1 3.4Å
270I89.4Confident90.9Very high11 Ų1158.2 Ų58.26%0.05629%0.294CS..Hα-helixtrans-67.1-17.9-179-142.6156.9000113.1I73 E76 I266 H272 R276 L281I73-I270 HydrophobicContact CG1-CD1 4.15Å; E76-I270 HydrophobicContact CB-CD1 4.5Å; E76-I270 HydrophobicContact CG-CD1 3.76Å; E76-I270 HydrophobicContact CG-CG1 4.19Å; E76-I270 HydrophobicContact CG-CG2 4.08Å; I266-I270 WeakPolarHBondContact O-CB 3.48Å; I266-I270 PolarHBondContact O-N 3.31Å; I270-H272 VanDerWaalsContact C-N 3.31Å; I270-R276 WeakPolarHBondContact O-CG 3.49Å; I270-R276 PolarHBondContact O-NE 3.06Å; I270-R276 VanDerWaalsContact O-NE 3.1Å; I270-L281 HydrophobicContact CD1-CD1 4.29Å; I270-L281 HydrophobicContact CG1-CD1 3.69Å
271M87.8Confident90.3Very high2 Ų258 Ų581%0.0129%0.291CS..THydrogen-bonded Turntrans-74.3-23171.4-68.6176.56800112.4L204 R208 H267 I268 L269 P291 Y292 L295L204-M271 HydrophobicContact CD1-SD 3.89Å; R208-M271 HydrophobicContact CG-CE 4.32Å; R208-M271 HydrophobicContact CG-SD 4.19Å; H267-M271 WeakPolarHBondContact O-CG 3.38Å; I268-M271 WeakPolarHBondContact O-CB 3.47Å; I268-M271 PolarHBondContact O-N 3.33Å; L269-M271 PolarHBondContact O-N 3.05Å; L269-M271 VanDerWaalsContact O-N 3.15Å; M271-P291 HydrophobicContact CB-CB 4.49Å; M271-P291 HydrophobicContact CE-CB 4.14Å; M271-P291 VanDerWaalsContact O-CG 3.27Å; M271-P291 WeakPolarHBondContact O-CG 3.3Å; M271-Y292 HydrophobicContact CB-CE1 4.24Å; M271-L295 HydrophobicContact CE-CB 4.27Å; M271-L295 HydrophobicContact CE-CD1 4.28Å; M271-L295 HydrophobicContact CE-CD2 4.2Å; M271-L295 HydrophobicContact CE-CG 4.5Å
272H90.6Very high89.4Confident81 Ų8163.2 Ų63.238%0.37531%0.305SS..SBendtrans-63.2126.9-174.3-168-83.9000111.2L269 I270 Y274 L275 R276L269-H272 WeakPolarHBondContact O-CB 3.37Å; L269-H272 PolarHBondContact O-N 3.47Å; I270-H272 VanDerWaalsContact C-N 3.31Å; H272-Y274 VanDerWaalsContact C-N 3.27Å; H272-Y274 WeakPolarHBondContact ND1-CB 3.48Å; H272-Y274 PolarHBondContact ND1-N 2.88Å; H272-Y274 PolarHBondContact O-N 3.12Å; H272-Y274 VanDerWaalsContact O-N 3.16Å; H272-L275 HydrophobicContact CB-CB 4.42Å; H272-L275 HydrophobicContact CB-CD1 4.34Å; H272-L275 HydrophobicContact CB-CG 4.4Å; H272-L275 PolarHBondContact O-N 2.6Å; H272-R276 PolarHBondContact O-N 3Å
273P87.8Confident88.5Confident56 Ų5667 Ų6736%0.36433%0.33SS..Hα-helixtrans-55.9-37.7-173.8-27.734.7000114.3R276 R277 P291P273-R276 PolarHBondContact O-N 3.22Å; P273-R277 PolarHBondContact O-N 3.21Å; P273-P291 HydrophobicContact CG-CG 4.06Å
274Y89.5Confident87.6Confident154 Ų15466.3 Ų66.360%0.60433%0.327SS*.Hα-helixtrans-62.2-46.8175.9177.4-99.3000112.4H272 R276 R277 L278H272-Y274 VanDerWaalsContact C-N 3.27Å; H272-Y274 WeakPolarHBondContact ND1-CB 3.48Å; H272-Y274 PolarHBondContact ND1-N 2.88Å; H272-Y274 PolarHBondContact O-N 3.12Å; H272-Y274 VanDerWaalsContact O-N 3.16Å; Y274-R276 VanDerWaalsContact C-N 3.31Å; Y274-R276 PolarHBondContact O-N 3.31Å; Y274-R277 PolarHBondContact O-N 3.3Å; Y274-L278 WeakPolarHBondContact O-CB 3.34Å; Y274-L278 PolarHBondContact O-N 3.47Å
275L89.5Confident86.3Confident41 Ų4167.6 Ų67.622%0.21534%0.337CS..Hα-helixtrans-67.9-35.1179.8-69.2179.7000111L269 H272 L278 F279L269-L275 HydrophobicContact CB-CD1 3.89Å; L269-L275 HydrophobicContact CD2-CD1 4.27Å; L269-L275 VanDerWaalsContact O-CD1 3.23Å; L269-L275 WeakPolarHBondContact O-CD1 3.4Å; H272-L275 HydrophobicContact CB-CB 4.42Å; H272-L275 HydrophobicContact CB-CD1 4.34Å; H272-L275 HydrophobicContact CB-CG 4.4Å; H272-L275 PolarHBondContact O-N 2.6Å; L275-L278 HydrophobicContact CD2-CD2 4.22Å; L275-L278 PolarHBondContact O-N 3Å; L275-F279 HydrophobicContact CB-CD2 4.4Å; L275-F279 HydrophobicContact CB-CE2 4.38Å; L275-F279 HydrophobicContact CD2-CE2 4.32Å; L275-F279 WeakPolarHBondContact O-CD2 3.22Å; L275-F279 PolarHBondContact O-N 3.02Å
276R88.7Confident85.1Confident10 Ų1067.3 Ų67.34%0.03833%0.329CS..Hα-helixtrans-61.1-46.3172.3-72-167.9163-173.64.6112.8I270 H272 P273 Y274 L278 F279 G280 L281 E287I270-R276 WeakPolarHBondContact O-CG 3.49Å; I270-R276 PolarHBondContact O-NE 3.06Å; I270-R276 VanDerWaalsContact O-NE 3.1Å; H272-R276 PolarHBondContact O-N 3Å; P273-R276 PolarHBondContact O-N 3.22Å; Y274-R276 VanDerWaalsContact C-N 3.31Å; Y274-R276 PolarHBondContact O-N 3.31Å; R276-L278 VanDerWaalsContact C-N 3.33Å; R276-F279 CarbonylContact O-C 3.43Å; R276-F279 PolarHBondContact O-N 3.42Å; R276-G280 PolarHBondContact O-N 3.35Å; R276-L281 HydrophobicContact CB-CB 3.97Å; R276-L281 HydrophobicContact CG-CB 4.08Å; R276-L281 HydrophobicContact CG-CD1 4.03Å; R276-L281 PolarHBondContact O-N 2.96Å; R276-E287 IonicContact CZ-OE2 3.02Å; R276-E287 IonicContact NH1-OE2 2.64Å; R276-E287 PolarHBondContact NH1-OE2 3.26Å; R276-E287 IonicContact NH2-OE1 3.7Å; R276-E287 IonicContact NH2-OE2 2.68Å; R276-E287 PolarHBondContact NH2-OE2 3.09Å
277R88.4Confident84.1Confident219 Ų21966.6 Ų66.683%0.82633%0.326SS*.Hα-helixtrans-61.8-43.9175.5-177.1177.3169.8-176.3-3.8111.1P273 Y274 F279 G280P273-R277 PolarHBondContact O-N 3.21Å; Y274-R277 PolarHBondContact O-N 3.3Å; R277-F279 VanDerWaalsContact C-N 3.35Å; R277-F279 PolarHBondContact O-N 3.42Å; R277-G280 PolarHBondContact O-N 3.35Å
278L89.8Confident83.2Confident109 Ų10967.2 Ų67.257%0.57134%0.339SS*.Hα-helixtrans-59.1-44.3178.4-176.465000112Y274 L275 R276 G280Y274-L278 WeakPolarHBondContact O-CB 3.34Å; Y274-L278 PolarHBondContact O-N 3.47Å; L275-L278 HydrophobicContact CD2-CD2 4.22Å; L275-L278 PolarHBondContact O-N 3Å; R276-L278 VanDerWaalsContact C-N 3.33Å; L278-G280 VanDerWaalsContact C-N 3.32Å; L278-G280 PolarHBondContact O-N 3.35Å
279F87.9Confident82.5Confident70 Ų7071 Ų7131%0.30736%0.355SS..THydrogen-bonded Turntrans-88.38.4179.7-64.4-59.1000114I73 R77 L275 R276 R277 L281I73-F279 HydrophobicContact CD1-CB 4.47Å; I73-F279 HydrophobicContact CD1-CD1 3.52Å; I73-F279 HydrophobicContact CD1-CD2 4.28Å; I73-F279 HydrophobicContact CD1-CE1 3.71Å; I73-F279 HydrophobicContact CD1-CE2 4.45Å; I73-F279 HydrophobicContact CD1-CG 3.84Å; I73-F279 HydrophobicContact CD1-CZ 4.18Å; I73-F279 HydrophobicContact CG1-CD1 4.39Å; I73-F279 HydrophobicContact CG1-CG 4.23Å; I73-F279 HydrophobicContact CG2-CB 4.37Å; R77-F279 PolarHBondContact NE-O 2.84Å; R77-F279 PolarHBondContact NH2-O 3.38Å; L275-F279 HydrophobicContact CB-CD2 4.4Å; L275-F279 HydrophobicContact CB-CE2 4.38Å; L275-F279 HydrophobicContact CD2-CE2 4.32Å; L275-F279 WeakPolarHBondContact O-CD2 3.22Å; L275-F279 PolarHBondContact O-N 3.02Å; R276-F279 CarbonylContact O-C 3.43Å; R276-F279 PolarHBondContact O-N 3.42Å; R277-F279 VanDerWaalsContact C-N 3.35Å; R277-F279 PolarHBondContact O-N 3.42Å; F279-L281 HydrophobicContact CB-CD1 4.29Å; F279-L281 HydrophobicContact CB-CG 3.95Å; F279-L281 PolarHBondContact O-N 3.02Å
280G83.9Confident82.2Confident44 Ų4473.2 Ų73.245%0.45436%0.358SS..THydrogen-bonded Turntrans5831.9-178.300000113.4R276 R277 L278R276-G280 PolarHBondContact O-N 3.35Å; R277-G280 PolarHBondContact O-N 3.35Å; L278-G280 VanDerWaalsContact C-N 3.32Å; L278-G280 PolarHBondContact O-N 3.35Å
281L82.9Confident81.9Confident14 Ų1472.9 Ų72.97%0.07336%0.357CS..PPolyproline II helixtrans-77.4130.4175.8-59.9179.6000109I73 E76 R77 I270 R276 F279I73-L281 HydrophobicContact CG2-CD2 4.08Å; E76-L281 HydrophobicContact CB-CD1 4.26Å; E76-L281 HydrophobicContact CB-CD2 4.05Å; R77-L281 HydrophobicContact CB-CD2 4.46Å; R77-L281 HydrophobicContact CG-CD2 3.38Å; I270-L281 HydrophobicContact CD1-CD1 4.29Å; I270-L281 HydrophobicContact CG1-CD1 3.69Å; R276-L281 HydrophobicContact CB-CB 3.97Å; R276-L281 HydrophobicContact CG-CB 4.08Å; R276-L281 HydrophobicContact CG-CD1 4.03Å; R276-L281 PolarHBondContact O-N 2.96Å; F279-L281 HydrophobicContact CB-CD1 4.29Å; F279-L281 HydrophobicContact CB-CG 3.95Å; F279-L281 PolarHBondContact O-N 3.02Å
282W76.9Confident82Confident164 Ų16477.1 Ų77.162%0.62137%0.373SS*.PPolyproline II helixtrans-66.4137.8176.9-68.350.6000108.9A80 I284A80-W282 HydrophobicContact CB-CB 3.9Å; W282-I284 PolarHBondContact O-N 2.92Å
283T76.3Confident81.8Confident100 Ų10079.8 Ų79.861%0.61338%0.384SS*.PPolyproline II helixtrans-64.3121.9173.549.10000109.1
284I73.5Confident81.7Confident5 Ų578.3 Ų78.33%0.02637%0.374CS..PPolyproline II helixtrans-60.9124.4172-62.6178.5000107.2A80 W282 H286 E287 G288A80-I284 HydrophobicContact CB-CG1 4.33Å; W282-I284 PolarHBondContact O-N 2.92Å; I284-H286 PolarHBondContact O-N 2.85Å; I284-E287 HydrophobicContact CB-CB 4.13Å; I284-E287 HydrophobicContact CB-CG 4Å; I284-E287 HydrophobicContact CG2-CG 4.11Å; I284-E287 PolarHBondContact O-N 3.36Å; I284-G288 PolarHBondContact O-N 3.4Å
285P66.3Low81.6Confident62 Ų6272.2 Ų72.240%0.40335%0.351SS..THydrogen-bonded Turntrans-57.9-31.4-168-25.932.8000114.1H84 I87H84-P285 HydrophobicContact CB-CG 4.25Å; I87-P285 HydrophobicContact CD1-CB 3.74Å; I87-P285 HydrophobicContact CD1-CG 3.99Å
286H69.6Low81.4Confident56 Ų5675.5 Ų75.526%0.25937%0.368SS..THydrogen-bonded Turntrans-78.3-26.7177.4-178.4-106.6000113.6I284 V294I284-H286 PolarHBondContact O-N 2.85Å; H286-V294 WeakPolarHBondContact CE1-CG1 3.35Å; H286-V294 WeakPolarHBondContact ND1-CG1 3.29Å; H286-V294 WeakPolarHBondContact O-CG1 3.35Å; H286-V294 WeakPolarHBondContact O-CG2 3.18Å
287E72.2Confident81.3Confident9 Ų980.1 Ų80.14%0.04239%0.389CS..THydrogen-bonded Turntrans-81.1-30.9-176.7-70.5-178.9171.100112.9R208 R276 I284 Y290 P291 V294R208-E287 IonicContact NE-OE1 2.62Å; R276-E287 IonicContact CZ-OE2 3.02Å; R276-E287 IonicContact NH1-OE2 2.64Å; R276-E287 PolarHBondContact NH1-OE2 3.26Å; R276-E287 IonicContact NH2-OE1 3.7Å; R276-E287 IonicContact NH2-OE2 2.68Å; R276-E287 PolarHBondContact NH2-OE2 3.09Å; I284-E287 HydrophobicContact CB-CB 4.13Å; I284-E287 HydrophobicContact CB-CG 4Å; I284-E287 HydrophobicContact CG2-CG 4.11Å; I284-E287 PolarHBondContact O-N 3.36Å; E287-Y290 CarbonylContact O-C 3.6Å; E287-Y290 PolarHBondContact O-N 3.17Å; E287-P291 HydrophobicContact CB-CB 4.15Å; E287-P291 HydrophobicContact CG-CB 4.46Å; E287-V294 HydrophobicContact CG-CG1 4.41Å
288G72.4Confident81.1Confident40 Ų4069.8 Ų69.841%0.41235%0.35SS..THydrogen-bonded Turntrans52.6-141.7178.900000113.2I284 Y290I284-G288 PolarHBondContact O-N 3.4Å; G288-Y290 VanDerWaalsContact C-N 3.35Å
289Q77.5Confident80.8Confident152 Ų15267.9 Ų67.971%0.7134%0.339SS*.THydrogen-bonded Turntrans-79.9-13.7176.7-68.6-178.6-5.900113.7P291Q289-P291 VanDerWaalsContact C-CD 3.42Å; Q289-P291 VanDerWaalsContact O-CD 3.3Å; Q289-P291 WeakPolarHBondContact O-CD 3.11Å
290Y84.7Confident80.6Confident139 Ų13969.2 Ų69.255%0.54534%0.343SS..  trans-124.664.7-171.9-59.2-75.7000112E287 G288 Y292 K293 V294E287-Y290 CarbonylContact O-C 3.6Å; E287-Y290 PolarHBondContact O-N 3.17Å; G288-Y290 VanDerWaalsContact C-N 3.35Å; Y290-Y292 VanDerWaalsContact C-N 3.27Å; Y290-Y292 PolarHBondContact O-N 2.99Å; Y290-K293 HydrophobicContact CD1-CD 4.32Å; Y290-K293 HydrophobicContact CG-CD 4.22Å; Y290-K293 PolarHBondContact O-N 3.25Å; Y290-K293 VanDerWaalsContact O-N 3.13Å; Y290-V294 WeakPolarHBondContact O-CG2 3.46Å; Y290-V294 PolarHBondContact O-N 3.26Å; Y290-V294 VanDerWaalsContact O-N 3.15Å
291P84.7Confident80.4Confident4 Ų471 Ų713%0.02634%0.336CS..Hα-helixtrans-57.9-38.1-173.422.1-33.1000112.8M271 P273 E287 Q289 V294 L295M271-P291 HydrophobicContact CB-CB 4.49Å; M271-P291 HydrophobicContact CE-CB 4.14Å; M271-P291 VanDerWaalsContact O-CG 3.27Å; M271-P291 WeakPolarHBondContact O-CG 3.3Å; P273-P291 HydrophobicContact CG-CG 4.06Å; E287-P291 HydrophobicContact CB-CB 4.15Å; E287-P291 HydrophobicContact CG-CB 4.46Å; Q289-P291 VanDerWaalsContact C-CD 3.42Å; Q289-P291 VanDerWaalsContact O-CD 3.3Å; Q289-P291 WeakPolarHBondContact O-CD 3.11Å; P291-V294 PolarHBondContact O-N 3.49Å; P291-L295 WeakPolarHBondContact O-CB 3.39Å; P291-L295 PolarHBondContact O-N 2.74Å
292Y88.6Confident80.3Confident90 Ų9071.9 Ų71.935%0.35334%0.339SS..Hα-helixtrans-68.4-38.2179.8-55-68.9000113.1I268 M271 Y290 V294 L295 L296I268-Y292 HydrophobicContact CG2-CE1 4.13Å; I268-Y292 PolarHBondContact O-OH 3.38Å; M271-Y292 HydrophobicContact CB-CE1 4.24Å; Y290-Y292 VanDerWaalsContact C-N 3.27Å; Y290-Y292 PolarHBondContact O-N 2.99Å; Y292-V294 VanDerWaalsContact C-N 3.31Å; Y292-V294 PolarHBondContact O-N 3.39Å; Y292-L295 WeakPolarHBondContact O-CB 3.31Å; Y292-L295 PolarHBondContact O-N 2.92Å; Y292-L296 WeakPolarHBondContact O-CG 3.44Å; Y292-L296 PolarHBondContact O-N 3.2Å
293K86.4Confident80.4Confident138 Ų13868.5 Ų68.560%0.633%0.327SS*.Hα-helixtrans-66.1-39.4175.6-67.8-175.4-179.8174.40110.8Y290 L296 K297Y290-K293 HydrophobicContact CD1-CD 4.32Å; Y290-K293 HydrophobicContact CG-CD 4.22Å; Y290-K293 PolarHBondContact O-N 3.25Å; Y290-K293 VanDerWaalsContact O-N 3.13Å; K293-L296 PolarHBondContact O-N 3.49Å; K293-K297 WeakPolarHBondContact O-CB 3.42Å; K293-K297 PolarHBondContact O-N 2.99Å
294V85.7Confident80Confident24 Ų2467.6 Ų67.615%0.14532%0.318CS..Hα-helixtrans-65.6-40.9176.4174.60000111.1H286 E287 Y290 P291 Y292 L296 K297 S298H286-V294 WeakPolarHBondContact CE1-CG1 3.35Å; H286-V294 WeakPolarHBondContact ND1-CG1 3.29Å; H286-V294 WeakPolarHBondContact O-CG1 3.35Å; H286-V294 WeakPolarHBondContact O-CG2 3.18Å; E287-V294 HydrophobicContact CG-CG1 4.41Å; Y290-V294 WeakPolarHBondContact O-CG2 3.46Å; Y290-V294 PolarHBondContact O-N 3.26Å; Y290-V294 VanDerWaalsContact O-N 3.15Å; P291-V294 PolarHBondContact O-N 3.49Å; Y292-V294 VanDerWaalsContact C-N 3.31Å; Y292-V294 PolarHBondContact O-N 3.39Å; V294-L296 PolarHBondContact O-N 3.18Å; V294-K297 WeakPolarHBondContact O-CB 3.25Å; V294-K297 PolarHBondContact O-N 3.23Å; V294-S298 PolarHBondContact O-N 3.36Å; V294-S298 PolarHBondContact O-OG 3.19Å
295L87Confident79.1Confident27 Ų2770.6 Ų70.614%0.14133%0.333CS..Hα-helixtrans-59.8-45174.6-170.376.5000112L204 L207 R208 M271 P291 Y292 S298 M299L204-L295 HydrophobicContact CD1-CD1 3.77Å; L204-L295 HydrophobicContact CD1-CD2 3.59Å; L204-L295 HydrophobicContact CD1-CG 4.34Å; L207-L295 HydrophobicContact CB-CD1 3.43Å; L207-L295 VanDerWaalsContact CB-CD1 3.43Å; L207-L295 HydrophobicContact CB-CG 4.38Å; L207-L295 HydrophobicContact CD1-CD1 4.24Å; L207-L295 HydrophobicContact CD1-CG 4.41Å; L207-L295 HydrophobicContact CG-CD1 4.49Å; R208-L295 HydrophobicContact CG-CD1 4.03Å; M271-L295 HydrophobicContact CE-CB 4.27Å; M271-L295 HydrophobicContact CE-CD1 4.28Å; M271-L295 HydrophobicContact CE-CD2 4.2Å; M271-L295 HydrophobicContact CE-CG 4.5Å; P291-L295 WeakPolarHBondContact O-CB 3.39Å; P291-L295 PolarHBondContact O-N 2.74Å; Y292-L295 WeakPolarHBondContact O-CB 3.31Å; Y292-L295 PolarHBondContact O-N 2.92Å; L295-S298 WeakPolarHBondContact O-CB 3.16Å; L295-S298 PolarHBondContact O-N 2.77Å; L295-M299 WeakPolarHBondContact O-CB 2.91Å; L295-M299 PolarHBondContact O-N 3.2Å
296L86.6Confident78.2Confident109 Ų10969 Ų6957%0.57132%0.324SS*.Hα-helixtrans-63.8-40.5175.9-70.1172.6000111.9Y292 K293 V294 S298 M299 Y300Y292-L296 WeakPolarHBondContact O-CG 3.44Å; Y292-L296 PolarHBondContact O-N 3.2Å; K293-L296 PolarHBondContact O-N 3.49Å; V294-L296 PolarHBondContact O-N 3.18Å; L296-S298 VanDerWaalsContact C-N 3.33Å; L296-S298 PolarHBondContact O-N 2.76Å; L296-M299 WeakPolarHBondContact O-CB 3.47Å; L296-M299 PolarHBondContact O-N 3.35Å; L296-Y300 WeakPolarHBondContact O-CB 3.4Å; L296-Y300 PolarHBondContact O-N 2.96Å
297K85Confident77.4Confident108 Ų10872.6 Ų72.647%0.4734%0.339SS..Hα-helixtrans-60.8-44.1172.4-174.2175.9-179.4-179.20110.6K293 V294 M299 Y300 Y301K293-K297 WeakPolarHBondContact O-CB 3.42Å; K293-K297 PolarHBondContact O-N 2.99Å; V294-K297 WeakPolarHBondContact O-CB 3.25Å; V294-K297 PolarHBondContact O-N 3.23Å; K297-M299 VanDerWaalsContact C-N 3.35Å; K297-M299 PolarHBondContact O-N 3.4Å; K297-Y300 WeakPolarHBondContact O-CB 3.29Å; K297-Y300 PolarHBondContact O-N 3.44Å; K297-Y301 HydrophobicContact CD-CE2 4.14Å; K297-Y301 HydrophobicContact CG-CD2 3.86Å; K297-Y301 HydrophobicContact CG-CE2 3.51Å; K297-Y301 WeakPolarHBondContact O-CD2 3.21Å; K297-Y301 PolarHBondContact O-N 2.9Å; K297-Y301 VanDerWaalsContact O-N 3.08Å
298S84.7Confident76.5Confident1 Ų179.4 Ų79.41%0.00736%0.364CS..Hα-helixtrans-61.5-42.6176.5-68.20000112.7L211 V294 L295 L296 Y301 R302L211-S298 WeakPolarHBondContact CD1-OG 3.4Å; V294-S298 PolarHBondContact O-N 3.36Å; V294-S298 PolarHBondContact O-OG 3.19Å; L295-S298 WeakPolarHBondContact O-CB 3.16Å; L295-S298 PolarHBondContact O-N 2.77Å; L296-S298 VanDerWaalsContact C-N 3.33Å; L296-S298 PolarHBondContact O-N 2.76Å; S298-Y301 PolarHBondContact O-N 2.71Å; S298-R302 VanDerWaalsContact O-CB 3.3Å; S298-R302 WeakPolarHBondContact O-CB 3.44Å; S298-R302 VanDerWaalsContact O-CG 3.31Å; S298-R302 WeakPolarHBondContact O-CG 3.42Å; S298-R302 PolarHBondContact O-N 3.23Å
299M84.9Confident75.4Confident70 Ų7081.2 Ų81.235%0.34536%0.364SS..Hα-helixtrans-59.1-49.2174.3-176.1-175.5-71.100110.7L207 L295 L296 K297 Y301 R302 Y303L207-M299 HydrophobicContact CD1-CB 4.2Å; L207-M299 HydrophobicContact CD1-CE 3.85Å; L207-M299 HydrophobicContact CD2-CB 4.2Å; L295-M299 WeakPolarHBondContact O-CB 2.91Å; L295-M299 PolarHBondContact O-N 3.2Å; L296-M299 WeakPolarHBondContact O-CB 3.47Å; L296-M299 PolarHBondContact O-N 3.35Å; K297-M299 VanDerWaalsContact C-N 3.35Å; K297-M299 PolarHBondContact O-N 3.4Å; M299-Y301 PolarHBondContact O-N 2.95Å; M299-R302 PolarHBondContact O-N 3.44Å; M299-Y303 HydrophobicContact CB-CD2 4.34Å; M299-Y303 HydrophobicContact CG-CD2 3.5Å; M299-Y303 VanDerWaalsContact CG-CD2 3.5Å; M299-Y303 HydrophobicContact CG-CE2 3.75Å; M299-Y303 WeakPolarHBondContact O-CB 3.06Å; M299-Y303 VanDerWaalsContact O-CD2 3.26Å; M299-Y303 WeakPolarHBondContact O-CD2 3.4Å; M299-Y303 PolarHBondContact O-N 2.94Å
300Y83.2Confident74.2Confident97 Ų9779.6 Ų79.638%0.3836%0.356SS..Hα-helixtrans-56.6-46179.4179-96.5000112.9L296 K297 N304 I305 S306L296-Y300 WeakPolarHBondContact O-CB 3.4Å; L296-Y300 PolarHBondContact O-N 2.96Å; K297-Y300 WeakPolarHBondContact O-CB 3.29Å; K297-Y300 PolarHBondContact O-N 3.44Å; Y300-N304 PolarHBondContact O-N 3.24Å; Y300-I305 HydrophobicContact CD2-CB 4.25Å; Y300-I305 HydrophobicContact CD2-CG2 4.49Å; Y300-I305 HydrophobicContact CE2-CB 4.37Å; Y300-I305 HydrophobicContact CE2-CG2 4.36Å; Y300-S306 WeakPolarHBondContact OH-CB 3.27Å
301Y80.2Confident72.9Confident82 Ų8279 Ų7932%0.32236%0.362SS..Hα-helixtrans-72.1-45.4178.7-76-71.2000113.3L211 F213 V220 K297 S298 M299 N304L211-Y301 HydrophobicContact CD1-CD2 4.23Å; F213-Y301 HydrophobicContact CE1-CD1 4.17Å; F213-Y301 AromaticContact CE1-CE1 3.97Å; F213-Y301 HydrophobicContact CE1-CE1 3.97Å; F213-Y301 HydrophobicContact CE1-CE2 4.49Å; F213-Y301 HydrophobicContact CZ-CD2 4.21Å; F213-Y301 HydrophobicContact CZ-CE1 4.35Å; F213-Y301 HydrophobicContact CZ-CE2 4.07Å; F213-Y301 HydrophobicContact CZ-CG 4.45Å; V220-Y301 HydrophobicContact CG2-CD1 4.09Å; V220-Y301 HydrophobicContact CG2-CG 4.06Å; K297-Y301 HydrophobicContact CD-CE2 4.14Å; K297-Y301 HydrophobicContact CG-CD2 3.86Å; K297-Y301 HydrophobicContact CG-CE2 3.51Å; K297-Y301 WeakPolarHBondContact O-CD2 3.21Å; K297-Y301 PolarHBondContact O-N 2.9Å; K297-Y301 VanDerWaalsContact O-N 3.08Å; S298-Y301 PolarHBondContact O-N 2.71Å; M299-Y301 PolarHBondContact O-N 2.95Å; Y301-N304 PolarHBondContact O-N 3.34Å; Y301-N304 PolarHBondContact O-OD1 2.65Å
302R79.3Confident71.7Confident32 Ų3285.3 Ų85.312%0.12139%0.39CS..Hα-helixtrans-67.1-39.8-175.4-75.6170.2169.5-74.5-9.2112.4L211 D223 S298 M299 N304L211-R302 HydrophobicContact CD2-CG 3.95Å; D223-R302 VanDerWaalsContact CG-NH1 3.3Å; D223-R302 IonicContact OD1-CZ 3.44Å; D223-R302 IonicContact OD1-NH1 3.48Å; D223-R302 PolarHBondContact OD1-NH1 3.05Å; D223-R302 IonicContact OD1-NH2 3.62Å; D223-R302 PolarHBondContact OD1-NH2 2.91Å; D223-R302 IonicContact OD2-CZ 3.67Å; D223-R302 IonicContact OD2-NH1 3.52Å; D223-R302 PolarHBondContact OD2-NH1 3.14Å; D223-R302 IonicContact OD2-NH2 2.84Å; S298-R302 VanDerWaalsContact O-CB 3.3Å; S298-R302 WeakPolarHBondContact O-CB 3.44Å; S298-R302 VanDerWaalsContact O-CG 3.31Å; S298-R302 WeakPolarHBondContact O-CG 3.42Å; S298-R302 PolarHBondContact O-N 3.23Å; M299-R302 PolarHBondContact O-N 3.44Å; R302-N304 PolarHBondContact O-N 3.43Å
303Y80.5Confident69.8Low94 Ų9490.4 Ų90.437%0.36941%0.413SS..THydrogen-bonded Turntrans-82.92.2178.6-68.6-64.3000113.7E203 L207 R231 M299 I305E203-Y303 WeakPolarHBondContact CG-OH 3.21Å; E203-Y303 PolarHBondContact OE2-OH 2.86Å; L207-Y303 HydrophobicContact CD2-CE2 4.36Å; R231-Y303 PolarHBondContact NH2-OH 2.87Å; R231-Y303 VanDerWaalsContact NH2-OH 3.13Å; M299-Y303 HydrophobicContact CB-CD2 4.34Å; M299-Y303 HydrophobicContact CG-CD2 3.5Å; M299-Y303 VanDerWaalsContact CG-CD2 3.5Å; M299-Y303 HydrophobicContact CG-CE2 3.75Å; M299-Y303 WeakPolarHBondContact O-CB 3.06Å; M299-Y303 VanDerWaalsContact O-CD2 3.26Å; M299-Y303 WeakPolarHBondContact O-CD2 3.4Å; M299-Y303 PolarHBondContact O-N 2.94Å; Y303-I305 PolarHBondContact O-N 3.04Å
304N66.5Low67.9Low81 Ų8193.6 Ų93.643%0.43344%0.436SS..THydrogen-bonded Turntrans46.435.7179.9-78.3-40.5000112.4Y300 Y301 R302 S306 K307 W308Y300-N304 PolarHBondContact O-N 3.24Å; Y301-N304 PolarHBondContact O-N 3.34Å; Y301-N304 PolarHBondContact O-OD1 2.65Å; R302-N304 PolarHBondContact O-N 3.43Å; N304-S306 PolarHBondContact O-N 3.25Å; N304-S306 VanDerWaalsContact O-N 3.09Å; N304-K307 HydrophobicContact CB-CB 4.25Å; N304-K307 HydrophobicContact CB-CD 4.39Å; N304-K307 HydrophobicContact CB-CG 4.3Å; N304-K307 PolarHBondContact O-N 2.83Å; N304-W308 PolarHBondContact O-N 2.83Å
305I54.8Low67Low67 Ų6797.1 Ų97.134%0.34445%0.451SS..Hα-helixtrans-56.7-29.2173.2-65.7169.8000108.6Y300 Y303 K307 W308 L309Y300-I305 HydrophobicContact CD2-CB 4.25Å; Y300-I305 HydrophobicContact CD2-CG2 4.49Å; Y300-I305 HydrophobicContact CE2-CB 4.37Å; Y300-I305 HydrophobicContact CE2-CG2 4.36Å; Y303-I305 PolarHBondContact O-N 3.04Å; I305-K307 PolarHBondContact O-N 2.75Å; I305-W308 PolarHBondContact O-N 3.27Å; I305-L309 HydrophobicContact CG2-CD1 3.53Å; I305-L309 HydrophobicContact CG2-CG 3.77Å; I305-L309 VanDerWaalsContact O-CB 3.27Å; I305-L309 WeakPolarHBondContact O-CB 3.16Å; I305-L309 WeakPolarHBondContact O-CG 3.36Å; I305-L309 PolarHBondContact O-N 2.88Å
306S48.4Very low65.9Low29 Ų29100.8 Ų100.820%0.20347%0.467CS..Hα-helixtrans-51.9-49.2166.2-172.40000114.1Y300 N304 W308 L309 Q310Y300-S306 WeakPolarHBondContact OH-CB 3.27Å; N304-S306 PolarHBondContact O-N 3.25Å; N304-S306 VanDerWaalsContact O-N 3.09Å; S306-W308 VanDerWaalsContact C-N 3.34Å; S306-W308 PolarHBondContact O-N 3.02Å; S306-L309 PolarHBondContact O-N 2.88Å; S306-Q310 WeakPolarHBondContact O-CA 3.42Å; S306-Q310 WeakPolarHBondContact O-CB 3.11Å; S306-Q310 WeakPolarHBondContact O-CG 3.47Å; S306-Q310 PolarHBondContact O-N 3.07Å; S306-Q310 PolarHBondContact O-OE1 3.06Å; S306-Q310 PolarHBondContact OG-OE1 3.02Å
307K52.8Low64.8Low132 Ų132100.3 Ų100.357%0.57446%0.461SS*.Hα-helixtrans-66.8-38.8179.3-73.1-172176.5-176.90111.2N304 I305 N311N304-K307 HydrophobicContact CB-CB 4.25Å; N304-K307 HydrophobicContact CB-CD 4.39Å; N304-K307 HydrophobicContact CB-CG 4.3Å; N304-K307 PolarHBondContact O-N 2.83Å; I305-K307 PolarHBondContact O-N 2.75Å; K307-N311 WeakPolarHBondContact O-CB 3.38Å; K307-N311 VanDerWaalsContact O-CG 3.25Å; K307-N311 PolarHBondContact O-N 3.13Å
308W52.5Low63.6Low152 Ų15299.9 Ų99.958%0.57646%0.461SS*.Hα-helixtrans-70.1-38.9178-17282.1000112.8N304 I305 S306 K312N304-W308 PolarHBondContact O-N 2.83Å; I305-W308 PolarHBondContact O-N 3.27Å; S306-W308 VanDerWaalsContact C-N 3.34Å; S306-W308 PolarHBondContact O-N 3.02Å; W308-K312 HydrophobicContact CE3-CD 4.49Å; W308-K312 HydrophobicContact CH2-CD 4.07Å; W308-K312 VanDerWaalsContact CH2-NZ 3.25Å; W308-K312 HydrophobicContact CZ2-CD 4.22Å; W308-K312 VanDerWaalsContact CZ2-CE 3.43Å; W308-K312 HydrophobicContact CZ3-CD 4.19Å; W308-K312 PolarHBondContact O-N 2.97Å
309L49.7Very low62.3Low77 Ų77106.1 Ų106.140%0.40349%0.489SS..Hα-helixtrans-76.8-36.4176.3-72.6177.8000112.9I305 S306 K312 K313I305-L309 HydrophobicContact CG2-CD1 3.53Å; I305-L309 HydrophobicContact CG2-CG 3.77Å; I305-L309 VanDerWaalsContact O-CB 3.27Å; I305-L309 WeakPolarHBondContact O-CB 3.16Å; I305-L309 WeakPolarHBondContact O-CG 3.36Å; I305-L309 PolarHBondContact O-N 2.88Å; S306-L309 PolarHBondContact O-N 2.88Å; L309-K312 PolarHBondContact O-N 3.01Å; L309-K313 PolarHBondContact O-N 2.85Å; L309-K313 VanDerWaalsContact O-N 3.14Å
310Q52.6Low60.8Low119 Ų119108.5 Ų108.556%0.55650%0.499SS*.Hα-helixtrans-66-39.9172.7-75.8173.5-41.700110.7S306 K312 K313S306-Q310 WeakPolarHBondContact O-CA 3.42Å; S306-Q310 WeakPolarHBondContact O-CB 3.11Å; S306-Q310 WeakPolarHBondContact O-CG 3.47Å; S306-Q310 PolarHBondContact O-N 3.07Å; S306-Q310 PolarHBondContact O-OE1 3.06Å; S306-Q310 PolarHBondContact OG-OE1 3.02Å; Q310-K312 PolarHBondContact O-N 3.22Å; Q310-K313 PolarHBondContact O-N 3.18Å; Q310-K313 VanDerWaalsContact O-N 3.16Å
311N57.7Low59.2Low126 Ų126109.3 Ų109.367%0.67451%0.507SS*.THydrogen-bonded Turntrans-66.8-17.4171.8-79.94.1000113.8K307K307-N311 WeakPolarHBondContact O-CB 3.38Å; K307-N311 VanDerWaalsContact O-CG 3.25Å; K307-N311 PolarHBondContact O-N 3.13Å
312K59.2Low57.5Low137 Ų137111.4 Ų111.460%0.59652%0.521SS*.THydrogen-bonded Turntrans-91.9-11.4172.8-85.6-166.4172.8-168.80114.1W308 L309 Q310W308-K312 HydrophobicContact CE3-CD 4.49Å; W308-K312 HydrophobicContact CH2-CD 4.07Å; W308-K312 VanDerWaalsContact CH2-NZ 3.25Å; W308-K312 HydrophobicContact CZ2-CD 4.22Å; W308-K312 VanDerWaalsContact CZ2-CE 3.43Å; W308-K312 HydrophobicContact CZ3-CD 4.19Å; W308-K312 PolarHBondContact O-N 2.97Å; L309-K312 PolarHBondContact O-N 3.01Å; Q310-K312 PolarHBondContact O-N 3.22Å
313K49.2Very low55.7Low196 Ų196118 Ų11885%0.85256%0.555SS**  trans-97.67.7177.4-85.6-167.8174.2-171.50113.3L309 Q310L309-K313 PolarHBondContact O-N 2.85Å; L309-K313 VanDerWaalsContact O-N 3.14Å; Q310-K313 PolarHBondContact O-N 3.18Å; Q310-K313 VanDerWaalsContact O-N 3.16Å
314L44.8Very low53.5Low206 Ų206120.2 Ų120.2100%1.07957%0.572SS**  trans-112.40166.2-76.6162.8000108.3

Retrieved 314 of 314 residues in 69.9 ms (Link to these results)

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