G4VJF7_SCHMA Loading...

Fungal_trans domain-containing protein

AlphaFold DB , UniProt , Accession G4VJF7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 268 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
1M63.5Low67.9Low51 Ų5123.1 Ų23.125%0.25113%0.132SC..  0138.50-68166.479.600108.2N15 L16 Y103 L107M1-N15 WeakPolarHBondContact O-CA 3.41Å; M1-L16 HydrophobicContact CB-CB 4.03Å; M1-L16 HydrophobicContact CB-CD1 4.26Å; M1-L16 PolarHBondContact O-N 3.32Å; M1-Y103 HydrophobicContact CE-CD1 3.55Å; M1-Y103 HydrophobicContact CE-CD2 4.45Å; M1-Y103 HydrophobicContact CE-CE1 4.32Å; M1-Y103 HydrophobicContact CE-CG 3.62Å; M1-Y103 HydrophobicContact CG-CE1 4.44Å; M1-L107 HydrophobicContact CE-CD1 3.68Å; M1-L107 HydrophobicContact CE-CD2 3.96Å; M1-L107 HydrophobicContact CE-CG 3.97Å
2I67.7Low68.1Low61 Ų6126.5 Ų26.531%0.31314%0.142SC..EExtended strand (participates in β ladder)trans-115.6139.2-175.6-53.5-178.4000109.8I13 F68 Y72I2-I13 HydrophobicContact CG2-CG2 3.42Å; I2-I13 VanDerWaalsContact CG2-CG2 3.42Å; I2-F68 HydrophobicContact CG2-CZ 4.39Å; I2-F68 WeakPolarHBondContact O-CZ 3.45Å; I2-Y72 HydrophobicContact CG2-CE2 4.34Å
3A71.7Confident68.5Low0 Ų029.3 Ų29.30%016%0.156CC..EExtended strand (participates in β ladder)trans-124.7146.1172.700000110.5I13 V14 L16 I97 L99A3-I13 WeakPolarHBondContact O-CA 3.46Å; A3-V14 PolarHBondContact N-O 3.43Å; A3-V14 PolarHBondContact O-N 3.06Å; A3-L16 HydrophobicContact CB-CD1 4.08Å; A3-L16 HydrophobicContact CB-CD2 4.37Å; A3-L16 HydrophobicContact CB-CG 4.14Å; A3-I97 HydrophobicContact CB-CG2 3.99Å; A3-L99 HydrophobicContact CB-CD2 3.38Å
4I71Confident68.5Low0 Ų029.3 Ų29.30%016%0.157CC..EExtended strand (participates in β ladder)trans-100.7116169.5-57.1165.4000106.9I11 R12 I13 F68 L71 Y72 F98I4-I11 HydrophobicContact CG2-CG2 3.54Å; I4-R12 CarbonylContact C-O 3.52Å; I4-I13 HydrophobicContact CG1-CG1 4.49Å; I4-F68 HydrophobicContact CB-CE2 4.37Å; I4-F68 HydrophobicContact CD1-CD2 4.13Å; I4-F68 HydrophobicContact CD1-CE2 3.76Å; I4-F68 HydrophobicContact CD1-CZ 4.04Å; I4-F68 HydrophobicContact CG1-CE2 3.71Å; I4-F68 HydrophobicContact CG1-CZ 3.82Å; I4-L71 HydrophobicContact CD1-CB 4.03Å; I4-L71 HydrophobicContact CD1-CD2 4.02Å; I4-L71 HydrophobicContact CD1-CG 3.95Å; I4-Y72 VanDerWaalsContact CD1-CA 3.49Å; I4-Y72 HydrophobicContact CG1-CD2 4.45Å; I4-F98 HydrophobicContact CB-CB 4.3Å; I4-F98 PolarHBondContact N-O 2.89Å; I4-F98 VanDerWaalsContact N-O 3.09Å; I4-F98 PolarHBondContact O-N 3.25Å
5V71.7Confident68.4Low0 Ų035.6 Ų35.60%019%0.191CC..EExtended strand (participates in β ladder)trans-105117177.9-173.80000108.2Y7 R12 V14 P95 A96 I97 L120 I124V5-Y7 HydrophobicContact CB-CE2 4.2Å; V5-Y7 HydrophobicContact CG1-CD2 4.34Å; V5-Y7 HydrophobicContact CG1-CE2 3.44Å; V5-Y7 VanDerWaalsContact CG1-CE2 3.44Å; V5-Y7 VanDerWaalsContact CG1-OH 3.28Å; V5-Y7 WeakPolarHBondContact CG1-OH 3.35Å; V5-R12 PolarHBondContact N-O 2.88Å; V5-R12 PolarHBondContact O-N 3.3Å; V5-V14 HydrophobicContact CB-CG2 4.5Å; V5-V14 HydrophobicContact CG2-CB 4.34Å; V5-V14 HydrophobicContact CG2-CG2 3.86Å; V5-P95 HydrophobicContact CG1-CB 4.36Å; V5-A96 CarbonylContact C-O 3.57Å; V5-A96 WeakPolarHBondContact CA-O 3.38Å; V5-I97 HydrophobicContact CB-CG1 4.49Å; V5-I97 HydrophobicContact CG1-CG1 4.07Å; V5-I97 HydrophobicContact CG2-CD1 4.35Å; V5-I97 HydrophobicContact CG2-CG1 3.97Å; V5-I97 HydrophobicContact CG2-CG2 4.3Å; V5-L120 HydrophobicContact CG2-CD2 4.44Å; V5-I124 HydrophobicContact CB-CD1 4.34Å; V5-I124 HydrophobicContact CG1-CD1 4.14Å; V5-I124 HydrophobicContact CG2-CD1 3.95Å
6C70Confident68Low2 Ų233.9 Ų33.91%0.01418%0.181CC..EExtended strand (participates in β ladder)trans-107.3128.2179.6-53.50000110.8I11 L88 P95 A96 F98C6-I11 HydrophobicContact CB-CG1 4.27Å; C6-L88 HydrophobicContact CB-CD1 3.21Å; C6-P95 WeakPolarHBondContact O-CA 3.46Å; C6-A96 PolarHBondContact N-O 3.44Å; C6-A96 PolarHBondContact O-N 3.38Å; C6-F98 HydrophobicContact CB-CE2 4.06Å; C6-F98 VanDerWaalsContact SG-CE2 3.59Å
7Y65.2Low67.3Low11 Ų1136.4 Ų36.44%0.04320%0.2CC..  trans-101.9164.7171.4-63.5-91.3000109.5V5 T9 S10 P95 I124 V125 E128V5-Y7 HydrophobicContact CB-CE2 4.2Å; V5-Y7 HydrophobicContact CG1-CD2 4.34Å; V5-Y7 HydrophobicContact CG1-CE2 3.44Å; V5-Y7 VanDerWaalsContact CG1-CE2 3.44Å; V5-Y7 VanDerWaalsContact CG1-OH 3.28Å; V5-Y7 WeakPolarHBondContact CG1-OH 3.35Å; Y7-T9 PolarHBondContact O-N 2.82Å; Y7-S10 WeakPolarHBondContact CA-O 3.44Å; Y7-S10 WeakPolarHBondContact CB-O 3.43Å; Y7-S10 PolarHBondContact N-O 2.92Å; Y7-P95 HydrophobicContact CD1-CB 3.84Å; Y7-P95 HydrophobicContact CE1-CB 3.46Å; Y7-P95 VanDerWaalsContact CE1-CB 3.46Å; Y7-P95 HydrophobicContact CE1-CG 3.96Å; Y7-I124 HydrophobicContact CE1-CG2 4.27Å; Y7-I124 HydrophobicContact CE2-CG2 3.48Å; Y7-I124 VanDerWaalsContact CE2-CG2 3.48Å; Y7-I124 WeakPolarHBondContact OH-CB 3.44Å; Y7-I124 WeakPolarHBondContact OH-CG2 3.44Å; Y7-V125 HydrophobicContact CE1-CG2 3.82Å; Y7-E128 WeakPolarHBondContact CD1-OE2 3.37Å
8A63.8Low66.2Low26 Ų2644.1 Ų44.122%0.21523%0.234CC..SBendtrans-58.4-14.1171.300000113V85 R89A8-V85 VanDerWaalsContact O-CG1 3.29Å; A8-V85 WeakPolarHBondContact O-CG1 3.46Å; A8-R89 HydrophobicContact CB-CG 4.25Å; A8-R89 WeakPolarHBondContact O-CG 3.27Å; A8-R89 PolarHBondContact O-NE 3.25Å
9T64Low65Low41 Ų4144.8 Ų44.825%0.25224%0.243SC..SBendtrans-129.4-11.3-176.3410000115Y7 E128 W132Y7-T9 PolarHBondContact O-N 2.82Å; T9-E128 PolarHBondContact OG1-OE1 2.79Å; T9-E128 VanDerWaalsContact OG1-OE1 3.12Å; T9-W132 HydrophobicContact CG2-CH2 4.26Å; T9-W132 HydrophobicContact CG2-CZ2 4.13Å
10S67.6Low63.7Low28 Ų2853 Ų5320%0.19628%0.276CS..  trans-153.7156.2-172.6630000111.7Y7 E128Y7-S10 WeakPolarHBondContact CA-O 3.44Å; Y7-S10 WeakPolarHBondContact CB-O 3.43Å; Y7-S10 PolarHBondContact N-O 2.92Å; S10-E128 PolarHBondContact OG-OE1 3.14Å
11I70.4Confident62.7Low34 Ų3455 Ų5517%0.17429%0.286CS..EExtended strand (participates in β ladder)trans-119.9132.6170.6-61.6154.9000107.1I4 C6 A81 L84 V85I4-I11 HydrophobicContact CG2-CG2 3.54Å; C6-I11 HydrophobicContact CB-CG1 4.27Å; I11-A81 HydrophobicContact CD1-CB 3.87Å; I11-L84 HydrophobicContact CD1-CB 4.08Å; I11-L84 HydrophobicContact CD1-CD2 3.67Å; I11-L84 HydrophobicContact CD1-CG 4.09Å; I11-L84 HydrophobicContact CG1-CD2 4.42Å; I11-V85 HydrophobicContact CD1-CG2 3.85Å; I11-V85 HydrophobicContact CG1-CG2 3.81Å
12R71.2Confident61.3Low64 Ų6464.4 Ų64.424%0.24232%0.319CS..EExtended strand (participates in β ladder)trans-129.3139.6-178-68.2-173.5176.5-142.6-0.7110.3I4 V5 V14 E127I4-R12 CarbonylContact C-O 3.52Å; V5-R12 PolarHBondContact N-O 2.88Å; V5-R12 PolarHBondContact O-N 3.3Å; R12-V14 HydrophobicContact CB-CG2 4.43Å; R12-E127 IonicContact CZ-OE1 3.42Å; R12-E127 IonicContact NH1-OE1 2.99Å; R12-E127 PolarHBondContact NH1-OE1 3.21Å; R12-E127 IonicContact NH1-OE2 3.38Å; R12-E127 PolarHBondContact NH1-OE2 3.16Å; R12-E127 IonicContact NH2-OE1 2.65Å
13I72.9Confident59.6Low63 Ų6364.9 Ų64.932%0.32334%0.339SS..EExtended strand (participates in β ladder)trans-100.6123.5173.8-67160.8000107.4I2 A3 I4 Y72 M76I2-I13 HydrophobicContact CG2-CG2 3.42Å; I2-I13 VanDerWaalsContact CG2-CG2 3.42Å; A3-I13 WeakPolarHBondContact O-CA 3.46Å; I4-I13 HydrophobicContact CG1-CG1 4.49Å; I13-Y72 HydrophobicContact CD1-CD2 3.82Å; I13-Y72 HydrophobicContact CD1-CE2 3.5Å; I13-Y72 VanDerWaalsContact CD1-CE2 3.5Å; I13-Y72 HydrophobicContact CG1-CD2 4.17Å; I13-Y72 HydrophobicContact CG1-CE2 4.05Å; I13-Y72 HydrophobicContact CG2-CD2 4.41Å; I13-Y72 HydrophobicContact CG2-CE2 3.77Å; I13-M76 HydrophobicContact CD1-CE 3.12Å; I13-M76 HydrophobicContact CD1-SD 3.71Å
14V67.9Low57.7Low29 Ų2972.4 Ų72.418%0.17638%0.379CS..EExtended strand (participates in β ladder)trans-122.6127.3-173.5-174.70000110.3A3 V5 R12 L16 L120 I124A3-V14 PolarHBondContact N-O 3.43Å; A3-V14 PolarHBondContact O-N 3.06Å; V5-V14 HydrophobicContact CB-CG2 4.5Å; V5-V14 HydrophobicContact CG2-CB 4.34Å; V5-V14 HydrophobicContact CG2-CG2 3.86Å; R12-V14 HydrophobicContact CB-CG2 4.43Å; V14-L16 PolarHBondContact O-N 3.19Å; V14-L120 HydrophobicContact CG1-CD1 3.91Å; V14-L120 HydrophobicContact CG1-CG 4.46Å; V14-I124 HydrophobicContact CG2-CD1 3.89Å
15N68.1Low55.6Low124 Ų12479.7 Ų79.766%0.66342%0.416SS*.EExtended strand (participates in β ladder)trans-76.8117169.4-75.8-32.4000109.2M1M1-N15 WeakPolarHBondContact O-CA 3.41Å
16L61.7Low53.3Low8 Ų883.7 Ų83.74%0.04244%0.444CS..PPolyproline II helixtrans-77.9142.6174.6-62.7170000109.7M1 A3 V14 E18 L99 W113 L120M1-L16 HydrophobicContact CB-CB 4.03Å; M1-L16 HydrophobicContact CB-CD1 4.26Å; M1-L16 PolarHBondContact O-N 3.32Å; A3-L16 HydrophobicContact CB-CD1 4.08Å; A3-L16 HydrophobicContact CB-CD2 4.37Å; A3-L16 HydrophobicContact CB-CG 4.14Å; V14-L16 PolarHBondContact O-N 3.19Å; L16-E18 PolarHBondContact O-N 3.45Å; L16-L99 HydrophobicContact CD1-CD2 3.81Å; L16-W113 HydrophobicContact CD1-CH2 3.64Å; L16-W113 HydrophobicContact CD1-CZ2 4.42Å; L16-W113 HydrophobicContact CD1-CZ3 4.49Å; L16-W113 HydrophobicContact CD2-CH2 3.75Å; L16-W113 HydrophobicContact CD2-CZ3 4.37Å; L16-W113 HydrophobicContact CG-CH2 4.23Å; L16-L120 HydrophobicContact CD2-CD1 3.64Å
17P55.7Low51.2Low77 Ų7789.3 Ų89.350%0.548%0.478SS..PPolyproline II helixtrans-57.3138.4175.223.7-32000110.1C19 V116P17-C19 PolarHBondContact O-N 2.89Å; P17-V116 HydrophobicContact CG-CG1 4.31Å
18E47.8Very low49.2Very low174 Ų17498.6 Ų98.681%0.81351%0.514SS*.  trans-62.797.6175.4-70-177.9171.400109.4L16 K20L16-E18 PolarHBondContact O-N 3.45Å; E18-K20 PolarHBondContact O-N 3.38Å; E18-K20 VanDerWaalsContact O-N 3.13Å
19C42.5Very low47.3Very low58 Ų58104.9 Ų104.939%0.39254%0.544SS..  trans-62.8114.7159.6-67.90000106.2P17 L21P17-C19 PolarHBondContact O-N 2.89Å; C19-L21 VanDerWaalsContact C-N 3.27Å; C19-L21 WeakPolarHBondContact O-CG 3.46Å; C19-L21 PolarHBondContact O-N 3.14Å
20K39.8Very low45.3Very low208 Ų208113.5 Ų113.590%0.90457%0.573SS**  trans-56.291.5174-75.3-175.7176.6-178.70109.1E18 R22E18-K20 PolarHBondContact O-N 3.38Å; E18-K20 VanDerWaalsContact O-N 3.13Å; K20-R22 PolarHBondContact O-N 2.96Å
21L42.8Very low43.1Very low96 Ų96118.7 Ų118.750%0.50360%0.599SS.*  trans-86.7108.5-176.7-83.9162000108.8C19 G23 T106C19-L21 VanDerWaalsContact C-N 3.27Å; C19-L21 WeakPolarHBondContact O-CG 3.46Å; C19-L21 PolarHBondContact O-N 3.14Å; L21-G23 PolarHBondContact O-N 3.38Å; L21-G23 VanDerWaalsContact O-N 3.16Å; L21-T106 HydrophobicContact CD1-CG2 3.71Å; L21-T106 HydrophobicContact CD2-CG2 3.15Å; L21-T106 HydrophobicContact CG-CG2 4.06Å
22R33.4Very low41Very low249 Ų249125.3 Ų125.394%0.9463%0.629SS**  trans-65.2109.8167.3-73.6-175.6-179.3-172.30.1108.2K20K20-R22 PolarHBondContact O-N 2.96Å
23G32.4Very low38.6Very low71 Ų71128.7 Ų128.773%0.73266%0.661SS**SBendtrans94.635.5143.200000119.9L21L21-G23 PolarHBondContact O-N 3.38Å; L21-G23 VanDerWaalsContact O-N 3.16Å
24L32.8Very low36.2Very low158 Ų158132.2 Ų132.283%0.82768%0.68SS**  trans-123.6107.9166.5-85.4157.9000111.6
25I26.1Very low34.1Very low153 Ų153136.6 Ų136.679%0.78571%0.712SS**  trans-67.4127.8179.3-65.7163.5000108.7T27I25-T27 PolarHBondContact O-N 3.42Å
26S24Very low32Very low83 Ų83136.7 Ų136.758%0.5871%0.711SS**  trans-70.389.9178.9-1760000111Y28S26-Y28 PolarHBondContact O-N 3Å; S26-Y28 VanDerWaalsContact OG-CD2 3.24Å; S26-Y28 WeakPolarHBondContact OG-CD2 3.33Å; S26-Y28 WeakPolarHBondContact OG-CE2 3.27Å
27T25.4Very low30.1Very low121 Ų121146.1 Ų146.174%0.74275%0.752SS**  trans-86.492.1168.552.10000109.2I25 L29I25-T27 PolarHBondContact O-N 3.42Å; T27-L29 PolarHBondContact O-N 3.13Å
28Y23.4Very low28.7Very low205 Ų205147.1 Ų147.180%0.80475%0.75SS**  trans-72.2114.8163.4-73.1-85000108.1S26S26-Y28 PolarHBondContact O-N 3Å; S26-Y28 VanDerWaalsContact OG-CD2 3.24Å; S26-Y28 WeakPolarHBondContact OG-CD2 3.33Å; S26-Y28 WeakPolarHBondContact OG-CE2 3.27Å
29L22.7Very low27.6Very low158 Ų158145.7 Ų145.783%0.82775%0.748SS**  trans-120.6110.8160.2-112.493.4000107.8T27T27-L29 PolarHBondContact O-N 3.13Å
30Y22.4Very low26.8Very low223 Ų223147.9 Ų147.988%0.87576%0.755SS**  trans-59.8126.9156.7-106.3-104.2000107.5
31D22.4Very low26Very low137 Ų137143.3 Ų143.373%0.73375%0.745SS**  trans-169.1134141.7-101.8-29.6000113.2
32Q24.9Very low25.4Very low173 Ų173143.8 Ų143.881%0.80875%0.747SS**  trans73.898.7155.5-62-179.2-8.600118.4
33C21Very low25Very low135 Ų135139.8 Ų139.891%0.91274%0.739SS**  trans-8498.8174.1-162.90000108.6
34D23.5Very low24.6Very low136 Ų136145.6 Ų145.673%0.72774%0.744SS**  trans-112.1124.3167.8-87.1-29.6000110.5I36D34-I36 PolarHBondContact O-N 3.15Å; D34-I36 VanDerWaalsContact O-N 3.13Å
35S24.3Very low24.4Very low121 Ų121145.1 Ų145.185%0.84674%0.741SS**  trans-61.9101.2-179.153.40000111.9
36I23.4Very low24.2Very low126 Ų126146 Ų14665%0.64674%0.741SS**  trans-121.4117.2173.3-58.3176.7000108.9D34 H38D34-I36 PolarHBondContact O-N 3.15Å; D34-I36 VanDerWaalsContact O-N 3.13Å; I36-H38 PolarHBondContact O-CD2 3.21Å; I36-H38 VanDerWaalsContact O-CD2 3.28Å; I36-H38 PolarHBondContact O-N 3.27Å
37K22Very low24Very low207 Ų207147.1 Ų147.190%0.975%0.749SS**  trans-57.7102.6169.4-71.6174.7176176.40108.1D39K37-D39 PolarHBondContact O-N 3.47Å; K37-D39 VanDerWaalsContact O-N 3.08Å
38H26.4Very low23.9Very low98 Ų98147 Ų14745%0.45475%0.749SS.*  trans-77.294.5-178.1-81.8-76.5000110.6I36 L40I36-H38 PolarHBondContact O-CD2 3.21Å; I36-H38 VanDerWaalsContact O-CD2 3.28Å; I36-H38 PolarHBondContact O-N 3.27Å; H38-L40 PolarHBondContact O-N 2.95Å
39D23.2Very low23.9Very low144 Ų144146.5 Ų146.577%0.7775%0.753SS**  trans-63.4111.6148.6-87.1-31.1000106.6K37 T41K37-D39 PolarHBondContact O-N 3.47Å; K37-D39 VanDerWaalsContact O-N 3.08Å; D39-T41 PolarHBondContact O-N 3.05Å; D39-T41 PolarHBondContact O-OG1 3.08Å; D39-T41 VanDerWaalsContact O-OG1 3.13Å
40L26.9Very low24Very low104 Ų104143.6 Ų143.655%0.54575%0.746SS.*  trans-67.766.4170.4-77164.4000109H38 I42H38-L40 PolarHBondContact O-N 2.95Å; L40-I42 VanDerWaalsContact C-N 3.28Å; L40-I42 PolarHBondContact O-N 3.01Å
41T23.2Very low24.1Very low112 Ų112140 Ų14069%0.68774%0.741SS**  trans-69.693.7167.5-11.10000105.4D39 Q43D39-T41 PolarHBondContact O-N 3.05Å; D39-T41 PolarHBondContact O-OG1 3.08Å; D39-T41 VanDerWaalsContact O-OG1 3.13Å; T41-Q43 PolarHBondContact O-N 3.2Å
42I29.6Very low24.3Very low105 Ų105142 Ų14254%0.53875%0.745SS.*  trans-59.691.4165.5-60.8173.7000105L40 K44L40-I42 VanDerWaalsContact C-N 3.28Å; L40-I42 PolarHBondContact O-N 3.01Å; I42-K44 VanDerWaalsContact C-N 3.29Å; I42-K44 PolarHBondContact O-N 3.09Å
43Q25Very low24.3Very low165 Ų165136.7 Ų136.777%0.77173%0.731SS**  trans-61.4101.5172.9-81-173.4-9.600105.9T41 I45T41-Q43 PolarHBondContact O-N 3.2Å; Q43-I45 PolarHBondContact O-N 3.36Å
44K24.5Very low24.6Very low194 Ų194137.3 Ų137.384%0.84372%0.715SS**  trans-61.993.5164.7-157178.4-168.6-177.90104.3I42 Q46I42-K44 VanDerWaalsContact C-N 3.29Å; I42-K44 PolarHBondContact O-N 3.09Å; K44-Q46 PolarHBondContact O-N 3.24Å
45I27.2Very low24.9Very low148 Ų148139.2 Ų139.276%0.75972%0.719SS**  trans-49.4108.5-172.1-65.8172.6000108Q43 S47Q43-I45 PolarHBondContact O-N 3.36Å; I45-S47 PolarHBondContact O-N 3.16Å
46Q22Very low25.4Very low170 Ų170140.1 Ų140.179%0.79471%0.713SS**  trans-73.4109.8174.3-77.3178.8-30.600107.6K44 T48K44-Q46 PolarHBondContact O-N 3.24Å; Q46-T48 PolarHBondContact O-N 2.86Å
47S21.4Very low26.5Very low108 Ų108136.3 Ų136.376%0.75569%0.694SS**  trans33.386.8141.659.90000117.8I45I45-S47 PolarHBondContact O-N 3.16Å
48T22.9Very low28Very low118 Ų118135.2 Ų135.272%0.72469%0.689SS**  trans-139.4101.3152.956.20000110.3Q46 S50Q46-T48 PolarHBondContact O-N 2.86Å; T48-S50 PolarHBondContact O-N 2.87Å
49H24Very low29.7Very low194 Ų194132.6 Ų132.690%0.89868%0.679SS**SBendtrans35.679.2148.9-61.4-73000118.8
50S23.7Very low31.7Very low97 Ų97127 Ų12768%0.67865%0.649SS**  trans-171.5100.7151.2173.10000109.4T48 H52T48-S50 PolarHBondContact O-N 2.87Å; S50-H52 PolarHBondContact O-N 3.13Å
51I24.5Very low33.7Very low149 Ų149124.8 Ų124.876%0.76464%0.636SS**  trans-83.82.5-158.6-71.2171.5000114.5
52H26Very low36Very low177 Ų177121.6 Ų121.682%0.81962%0.618SS**SBendtrans-125.26.7-159.5-89.468.2000121.2S50S50-H52 PolarHBondContact O-N 3.13Å
53A25.3Very low38Very low63 Ų63117.4 Ų117.452%0.52160%0.596SS.*SBendtrans-136.2-19.2-175.900000119.4
54Y28Very low40.5Very low147 Ų147111.6 Ų111.658%0.57657%0.574SS**  trans-94.33.3-165.7-74.8-81.5000116.3I56Y54-I56 PolarHBondContact O-N 3.39Å
55H29Very low42.8Very low176 Ų176106.7 Ų106.782%0.81556%0.557SS**THydrogen-bonded Turntrans-79.90.1-162.1-110-72.3000118.5
56I35.7Very low45.1Very low141 Ų141105.3 Ų105.372%0.72355%0.55SS*.THydrogen-bonded Turntrans-143.444-175.8-39.4177000113.4Y54Y54-I56 PolarHBondContact O-N 3.39Å
57L45.6Very low47.7Very low45 Ų45100 Ų10024%0.23653%0.525CS..  trans-122.656.3159.4-71.5171.4000108.3N59 V60 I117L57-N59 PolarHBondContact O-N 3.49Å; L57-V60 HydrophobicContact CB-CB 4.13Å; L57-V60 HydrophobicContact CB-CG2 3.99Å; L57-V60 HydrophobicContact CD1-CG2 4.49Å; L57-V60 HydrophobicContact CD2-CG2 4.07Å; L57-V60 HydrophobicContact CG-CG2 4.41Å; L57-V60 PolarHBondContact O-N 3.17Å; L57-V60 VanDerWaalsContact O-N 3.13Å; L57-I117 HydrophobicContact CD2-CG2 4.39Å
58K53.9Low50.2Low184 Ų18495.7 Ų95.780%0.849%0.493SS*.THydrogen-bonded Turntrans-51.2121.1168.7-72.4-177.6178.4176.50105.8
59N61.9Low52.8Low44 Ų4495 Ų9524%0.23548%0.481CS..THydrogen-bonded Turntrans82.416.6177.4-32.9-59.4000117.8L57 F61 V94 P95 A96 I97L57-N59 PolarHBondContact O-N 3.49Å; N59-F61 HydrophobicContact CB-CE2 4.27Å; N59-V94 WeakPolarHBondContact ND2-CB 3.46Å; N59-V94 WeakPolarHBondContact ND2-CG1 3.32Å; N59-P95 WeakPolarHBondContact CB-O 3.41Å; N59-A96 HydrophobicContact CB-CB 4.17Å; N59-A96 CarbonylContact O-C 3.49Å; N59-A96 VanDerWaalsContact O-CA 3.23Å; N59-A96 WeakPolarHBondContact O-CA 3.47Å; N59-I97 PolarHBondContact O-N 2.95Å
60V64.6Low55.3Low25 Ų2592 Ų9215%0.15246%0.463CS..EExtended strand (participates in β ladder)trans-96.8113.8159.2-176.70000108.7L57 I97 L99 I117L57-V60 HydrophobicContact CB-CB 4.13Å; L57-V60 HydrophobicContact CB-CG2 3.99Å; L57-V60 HydrophobicContact CD1-CG2 4.49Å; L57-V60 HydrophobicContact CD2-CG2 4.07Å; L57-V60 HydrophobicContact CG-CG2 4.41Å; L57-V60 PolarHBondContact O-N 3.17Å; L57-V60 VanDerWaalsContact O-N 3.13Å; V60-I97 CarbonylContact C-O 3.47Å; V60-I97 WeakPolarHBondContact CA-O 3.16Å; V60-I97 HydrophobicContact CG2-CB 4.47Å; V60-L99 HydrophobicContact CG1-CD1 3.77Å; V60-L99 HydrophobicContact CG1-CG 4.45Å; V60-I117 HydrophobicContact CG2-CG2 4.45Å
61F70.5Confident57.8Low59 Ų5987.9 Ų87.926%0.25943%0.434SS..EExtended strand (participates in β ladder)trans-105.8136.1-179.9-62-83.8000109.7N59 A96 I97 F98 L99N59-F61 HydrophobicContact CB-CE2 4.27Å; F61-A96 HydrophobicContact CD2-CB 3.99Å; F61-A96 HydrophobicContact CE2-CB 3.73Å; F61-I97 PolarHBondContact N-O 2.9Å; F61-F98 HydrophobicContact CB-CD1 3.5Å; F61-F98 VanDerWaalsContact CB-CD1 3.5Å; F61-F98 HydrophobicContact CB-CE1 3.61Å; F61-F98 HydrophobicContact CB-CG 4.34Å; F61-F98 HydrophobicContact CD2-CD1 4.27Å; F61-F98 AromaticContact CD2-CE1 3.75Å; F61-F98 HydrophobicContact CD2-CE1 3.75Å; F61-F98 HydrophobicContact CD2-CE2 4.43Å; F61-F98 AromaticContact CD2-CZ 3.84Å; F61-F98 HydrophobicContact CD2-CZ 3.84Å; F61-F98 HydrophobicContact CE2-CZ 4.4Å; F61-F98 HydrophobicContact CG-CD1 4.16Å; F61-F98 AromaticContact CG-CE1 3.77Å; F61-F98 HydrophobicContact CG-CE1 3.77Å; F61-F98 HydrophobicContact CG-CZ 4.32Å; F61-F98 WeakPolarHBondContact O-CA 3.39Å; F61-L99 PolarHBondContact O-N 3.17Å
62S70.5Confident60.2Low44 Ų4484.1 Ų84.131%0.30841%0.41SS..EExtended strand (participates in β ladder)trans-99.2134.9170.451.10000111.3L99 Q104S62-L99 WeakPolarHBondContact CA-O 3.5Å; S62-Q104 PolarHBondContact OG-OE1 2.86Å
63L71.2Confident62.6Low17 Ų1779.9 Ų79.99%0.08939%0.393CS..EExtended strand (participates in β ladder)trans-118.6144.7176.5-63.8174.8000107.9E67 F68 L71 F98 L99 P100 R101L63-E67 HydrophobicContact CB-CB 3.9Å; L63-E67 HydrophobicContact CD2-CB 4.2Å; L63-F68 HydrophobicContact CB-CB 4.04Å; L63-F68 HydrophobicContact CD1-CB 4.49Å; L63-F68 HydrophobicContact CD1-CD2 4.42Å; L63-L71 HydrophobicContact CD1-CB 4.17Å; L63-L71 HydrophobicContact CD1-CD2 3.47Å; L63-L71 VanDerWaalsContact CD1-CD2 3.47Å; L63-L71 HydrophobicContact CD1-CG 4.44Å; L63-F98 HydrophobicContact CD1-CB 3.83Å; L63-F98 HydrophobicContact CD1-CD1 3.72Å; L63-F98 HydrophobicContact CD1-CG 4.13Å; L63-F98 HydrophobicContact CD2-CD1 4.34Å; L63-F98 HydrophobicContact CG-CD1 4.05Å; L63-L99 PolarHBondContact N-O 3.19Å; L63-P100 CarbonylContact O-C 3.6Å; L63-P100 WeakPolarHBondContact O-CA 3.46Å; L63-R101 WeakPolarHBondContact O-CB 3.47Å; L63-R101 PolarHBondContact O-N 3.49Å
64S77.9Confident65Low43 Ų4377.5 Ų77.530%0.30137%0.374SS..  trans-54.9161.4163.965.10000110.3L66 E67 F68S64-L66 PolarHBondContact O-N 3.38Å; S64-E67 VanDerWaalsContact CB-OE2 3.24Å; S64-E67 WeakPolarHBondContact CB-OE2 3.46Å; S64-E67 PolarHBondContact N-OE2 2.85Å; S64-E67 PolarHBondContact O-N 3.49Å; S64-E67 VanDerWaalsContact OG-CB 3.32Å; S64-E67 WeakPolarHBondContact OG-CB 3.43Å; S64-E67 WeakPolarHBondContact OG-CG 3.4Å; S64-E67 PolarHBondContact OG-N 2.65Å; S64-E67 VanDerWaalsContact OG-N 3.14Å; S64-E67 PolarHBondContact OG-OE2 3.37Å; S64-F68 WeakPolarHBondContact O-CB 3.25Å; S64-F68 PolarHBondContact O-N 3.46Å
65L73.1Confident67.2Low92 Ų9271.2 Ų71.248%0.48235%0.351SS..Hα-helixtrans-57.8-40179.3-177.460.8000111.2F68 Q69L65-F68 PolarHBondContact O-N 3.21Å; L65-Q69 VanDerWaalsContact O-CB 3.3Å; L65-Q69 WeakPolarHBondContact O-CB 3.39Å; L65-Q69 PolarHBondContact O-N 3.47Å
66L76.2Confident69.4Low118 Ų11867.9 Ų67.962%0.61834%0.337SS*.Hα-helixtrans-66.2-47.3177.2-170.768.6000112.1S64 F68 Q69 Y70S64-L66 PolarHBondContact O-N 3.38Å; L66-F68 VanDerWaalsContact C-N 3.3Å; L66-F68 PolarHBondContact O-N 3.42Å; L66-Q69 PolarHBondContact O-N 3.46Å; L66-Y70 WeakPolarHBondContact O-CB 3.44Å; L66-Y70 PolarHBondContact O-N 3.01Å
67E76.3Confident71.5Confident59 Ų5965.2 Ų65.228%0.27633%0.325SS..Hα-helixtrans-63.2-37.1176.1-72.2163145.800111.8L63 S64 L71L63-E67 HydrophobicContact CB-CB 3.9Å; L63-E67 HydrophobicContact CD2-CB 4.2Å; S64-E67 VanDerWaalsContact CB-OE2 3.24Å; S64-E67 WeakPolarHBondContact CB-OE2 3.46Å; S64-E67 PolarHBondContact N-OE2 2.85Å; S64-E67 PolarHBondContact O-N 3.49Å; S64-E67 VanDerWaalsContact OG-CB 3.32Å; S64-E67 WeakPolarHBondContact OG-CB 3.43Å; S64-E67 WeakPolarHBondContact OG-CG 3.4Å; S64-E67 PolarHBondContact OG-N 2.65Å; S64-E67 VanDerWaalsContact OG-N 3.14Å; S64-E67 PolarHBondContact OG-OE2 3.37Å; E67-L71 VanDerWaalsContact O-CB 3.24Å; E67-L71 WeakPolarHBondContact O-CB 3.26Å; E67-L71 PolarHBondContact O-N 2.99Å
68F74.6Confident72.8Confident17 Ų1771.4 Ų71.48%0.07535%0.352CS..Hα-helixtrans-68-44.5176.4-178.5-92.1000111.2I2 I4 L63 S64 L65 L66 L71 Y72 F98 P100I2-F68 HydrophobicContact CG2-CZ 4.39Å; I2-F68 WeakPolarHBondContact O-CZ 3.45Å; I4-F68 HydrophobicContact CB-CE2 4.37Å; I4-F68 HydrophobicContact CD1-CD2 4.13Å; I4-F68 HydrophobicContact CD1-CE2 3.76Å; I4-F68 HydrophobicContact CD1-CZ 4.04Å; I4-F68 HydrophobicContact CG1-CE2 3.71Å; I4-F68 HydrophobicContact CG1-CZ 3.82Å; L63-F68 HydrophobicContact CB-CB 4.04Å; L63-F68 HydrophobicContact CD1-CB 4.49Å; L63-F68 HydrophobicContact CD1-CD2 4.42Å; S64-F68 WeakPolarHBondContact O-CB 3.25Å; S64-F68 PolarHBondContact O-N 3.46Å; L65-F68 PolarHBondContact O-N 3.21Å; L66-F68 VanDerWaalsContact C-N 3.3Å; L66-F68 PolarHBondContact O-N 3.42Å; F68-L71 PolarHBondContact O-N 2.88Å; F68-Y72 WeakPolarHBondContact O-CB 3.47Å; F68-Y72 PolarHBondContact O-N 3.06Å; F68-F98 WeakPolarHBondContact CE2-O 3.4Å; F68-P100 HydrophobicContact CB-CB 4.49Å; F68-P100 HydrophobicContact CB-CG 4.24Å; F68-P100 HydrophobicContact CD1-CG 3.69Å; F68-P100 HydrophobicContact CD2-CG 3.81Å; F68-P100 HydrophobicContact CE1-CG 3.91Å; F68-P100 HydrophobicContact CE2-CG 4.04Å; F68-P100 HydrophobicContact CG-CB 4.37Å; F68-P100 HydrophobicContact CG-CG 3.62Å; F68-P100 HydrophobicContact CZ-CG 4.08Å
69Q75.5Confident74Confident104 Ų10467.7 Ų67.749%0.48635%0.345SS..Hα-helixtrans-65.7-42.8178.3-173.4160.7-600110.9L65 L66 L71 Y72 D73L65-Q69 VanDerWaalsContact O-CB 3.3Å; L65-Q69 WeakPolarHBondContact O-CB 3.39Å; L65-Q69 PolarHBondContact O-N 3.47Å; L66-Q69 PolarHBondContact O-N 3.46Å; Q69-L71 PolarHBondContact O-N 3.44Å; Q69-Y72 WeakPolarHBondContact O-CB 3.41Å; Q69-Y72 PolarHBondContact O-N 3.01Å; Q69-D73 WeakPolarHBondContact O-CB 3.36Å; Q69-D73 VanDerWaalsContact O-CG 3.23Å; Q69-D73 PolarHBondContact O-N 2.89Å
70Y78.5Confident74.7Confident130 Ų13068 Ų6851%0.5135%0.345SS..Hα-helixtrans-58.1-48.6170.9175.4-97.1000111.6L66 Y72 D73 A74 F80L66-Y70 WeakPolarHBondContact O-CB 3.44Å; L66-Y70 PolarHBondContact O-N 3.01Å; Y70-Y72 VanDerWaalsContact C-N 3.29Å; Y70-Y72 PolarHBondContact O-N 3.26Å; Y70-D73 PolarHBondContact O-N 3.27Å; Y70-A74 HydrophobicContact CE1-CB 4.4Å; Y70-A74 WeakPolarHBondContact O-CB 3.42Å; Y70-A74 PolarHBondContact O-N 2.89Å; Y70-F80 HydrophobicContact CE1-CE2 4.47Å; Y70-F80 HydrophobicContact CE1-CZ 4.42Å
71L74.9Confident75Confident12 Ų1267.8 Ų67.86%0.06335%0.345CS..Hα-helixtrans-64.5-36.3178.6-169.570.7000111.6I4 L63 E67 F68 Q69 S75 F80 L84 F98I4-L71 HydrophobicContact CD1-CB 4.03Å; I4-L71 HydrophobicContact CD1-CD2 4.02Å; I4-L71 HydrophobicContact CD1-CG 3.95Å; L63-L71 HydrophobicContact CD1-CB 4.17Å; L63-L71 HydrophobicContact CD1-CD2 3.47Å; L63-L71 VanDerWaalsContact CD1-CD2 3.47Å; L63-L71 HydrophobicContact CD1-CG 4.44Å; E67-L71 VanDerWaalsContact O-CB 3.24Å; E67-L71 WeakPolarHBondContact O-CB 3.26Å; E67-L71 PolarHBondContact O-N 2.99Å; F68-L71 PolarHBondContact O-N 2.88Å; Q69-L71 PolarHBondContact O-N 3.44Å; L71-S75 WeakPolarHBondContact O-CA 3.36Å; L71-S75 WeakPolarHBondContact O-CB 3.37Å; L71-S75 PolarHBondContact O-N 2.88Å; L71-S75 PolarHBondContact O-OG 3.46Å; L71-F80 HydrophobicContact CD1-CE1 3.94Å; L71-F80 HydrophobicContact CD1-CZ 4.11Å; L71-L84 HydrophobicContact CD1-CD2 3.72Å; L71-F98 HydrophobicContact CD2-CB 4.02Å; L71-F98 HydrophobicContact CD2-CD1 3.97Å; L71-F98 HydrophobicContact CD2-CD2 4.12Å; L71-F98 HydrophobicContact CD2-CG 3.76Å
72Y75.1Confident75Confident69 Ų6967.8 Ų67.827%0.27136%0.356SS..Hα-helixtrans-63.3-55.1176.4176.4-95.6000110.2I2 I4 I13 F68 Q69 Y70 A74 S75 M76I2-Y72 HydrophobicContact CG2-CE2 4.34Å; I4-Y72 VanDerWaalsContact CD1-CA 3.49Å; I4-Y72 HydrophobicContact CG1-CD2 4.45Å; I13-Y72 HydrophobicContact CD1-CD2 3.82Å; I13-Y72 HydrophobicContact CD1-CE2 3.5Å; I13-Y72 VanDerWaalsContact CD1-CE2 3.5Å; I13-Y72 HydrophobicContact CG1-CD2 4.17Å; I13-Y72 HydrophobicContact CG1-CE2 4.05Å; I13-Y72 HydrophobicContact CG2-CD2 4.41Å; I13-Y72 HydrophobicContact CG2-CE2 3.77Å; F68-Y72 WeakPolarHBondContact O-CB 3.47Å; F68-Y72 PolarHBondContact O-N 3.06Å; Q69-Y72 WeakPolarHBondContact O-CB 3.41Å; Q69-Y72 PolarHBondContact O-N 3.01Å; Y70-Y72 VanDerWaalsContact C-N 3.29Å; Y70-Y72 PolarHBondContact O-N 3.26Å; Y72-A74 PolarHBondContact O-N 3.25Å; Y72-S75 PolarHBondContact O-N 2.94Å; Y72-S75 VanDerWaalsContact O-N 3.16Å; Y72-S75 PolarHBondContact O-OG 3.49Å; Y72-M76 HydrophobicContact CE1-CE 3.87Å; Y72-M76 HydrophobicContact CE2-CE 3.84Å; Y72-M76 VanDerWaalsContact CZ-CE 3.42Å; Y72-M76 WeakPolarHBondContact O-CG 3.34Å; Y72-M76 PolarHBondContact O-N 3.21Å; Y72-M76 WeakPolarHBondContact OH-CE 3.27Å
73D77Confident75.2Confident88 Ų8869.2 Ų69.247%0.47137%0.365SS..Hα-helixtrans-62.2-44.8179.4-66.3-25.4000110.7Q69 Y70 S75 M76Q69-D73 WeakPolarHBondContact O-CB 3.36Å; Q69-D73 VanDerWaalsContact O-CG 3.23Å; Q69-D73 PolarHBondContact O-N 2.89Å; Y70-D73 PolarHBondContact O-N 3.27Å; D73-S75 VanDerWaalsContact C-N 3.31Å; D73-S75 PolarHBondContact O-N 3.35Å; D73-M76 VanDerWaalsContact O-CB 3.3Å; D73-M76 WeakPolarHBondContact O-CB 3.46Å; D73-M76 PolarHBondContact O-N 3.48Å; D73-M76 VanDerWaalsContact O-N 3.08Å
74A76.1Confident75.2Confident13 Ų1369.4 Ų69.411%0.10737%0.366CS..Hα-helixtrans-67.2-30.817700000112.1Y70 Y72 M76 D77 F80Y70-A74 HydrophobicContact CE1-CB 4.4Å; Y70-A74 WeakPolarHBondContact O-CB 3.42Å; Y70-A74 PolarHBondContact O-N 2.89Å; Y72-A74 PolarHBondContact O-N 3.25Å; A74-M76 PolarHBondContact O-N 3.39Å; A74-D77 WeakPolarHBondContact O-CB 3.43Å; A74-D77 PolarHBondContact O-N 3.46Å; A74-F80 VanDerWaalsContact C-CD1 3.43Å; A74-F80 HydrophobicContact CB-CB 4.4Å; A74-F80 HydrophobicContact CB-CD1 3.37Å; A74-F80 HydrophobicContact CB-CD2 4.11Å; A74-F80 HydrophobicContact CB-CE1 3.46Å; A74-F80 VanDerWaalsContact CB-CE1 3.46Å; A74-F80 HydrophobicContact CB-CE2 4.2Å; A74-F80 HydrophobicContact CB-CG 3.7Å; A74-F80 HydrophobicContact CB-CZ 3.89Å; A74-F80 WeakPolarHBondContact O-CB 3.4Å; A74-F80 WeakPolarHBondContact O-CD1 3.43Å
75S72.7Confident74.8Confident15 Ų1567.8 Ų67.811%0.10535%0.354CS..Hα-helixtrans-68.2-19.4173.974.30000113.2L71 Y72 D73L71-S75 WeakPolarHBondContact O-CA 3.36Å; L71-S75 WeakPolarHBondContact O-CB 3.37Å; L71-S75 PolarHBondContact O-N 2.88Å; L71-S75 PolarHBondContact O-OG 3.46Å; Y72-S75 PolarHBondContact O-N 2.94Å; Y72-S75 VanDerWaalsContact O-N 3.16Å; Y72-S75 PolarHBondContact O-OG 3.49Å; D73-S75 VanDerWaalsContact C-N 3.31Å; D73-S75 PolarHBondContact O-N 3.35Å
76M75.5Confident74.7Confident106 Ų10671.9 Ų71.952%0.52236%0.363SS..Hα-helixtrans-77.8-23170.9-58-61.4-167.600112.2I13 Y72 D73 A74I13-M76 HydrophobicContact CD1-CE 3.12Å; I13-M76 HydrophobicContact CD1-SD 3.71Å; Y72-M76 HydrophobicContact CE1-CE 3.87Å; Y72-M76 HydrophobicContact CE2-CE 3.84Å; Y72-M76 VanDerWaalsContact CZ-CE 3.42Å; Y72-M76 WeakPolarHBondContact O-CG 3.34Å; Y72-M76 PolarHBondContact O-N 3.21Å; Y72-M76 WeakPolarHBondContact OH-CE 3.27Å; D73-M76 VanDerWaalsContact O-CB 3.3Å; D73-M76 WeakPolarHBondContact O-CB 3.46Å; D73-M76 PolarHBondContact O-N 3.48Å; D73-M76 VanDerWaalsContact O-N 3.08Å; A74-M76 PolarHBondContact O-N 3.39Å
77D79.4Confident74.4Confident85 Ų8572.4 Ų72.446%0.45536%0.358SS..SBendtrans-75.9122172.4-176.6-57.8000110.1A74 V79 F80 A81A74-D77 WeakPolarHBondContact O-CB 3.43Å; A74-D77 PolarHBondContact O-N 3.46Å; D77-V79 VanDerWaalsContact C-N 3.32Å; D77-V79 PolarHBondContact O-N 3.35Å; D77-V79 WeakPolarHBondContact OD1-CA 3.38Å; D77-V79 WeakPolarHBondContact OD1-CB 3.06Å; D77-V79 PolarHBondContact OD1-N 3.4Å; D77-F80 HydrophobicContact CB-CB 4.14Å; D77-F80 PolarHBondContact O-N 3.49Å; D77-F80 PolarHBondContact OD1-N 3.11Å; D77-A81 WeakPolarHBondContact O-CB 3.36Å; D77-A81 PolarHBondContact O-N 2.83Å
78Q74.3Confident73.9Confident175 Ų17570.1 Ų70.182%0.81835%0.348SS*.Hα-helixtrans-63.9-34.4-175.9-68.9-172.9-11.900113.4A82Q78-A82 VanDerWaalsContact O-CB 3.3Å; Q78-A82 WeakPolarHBondContact O-CB 3.44Å; Q78-A82 PolarHBondContact O-N 2.96Å
79V78.1Confident73.4Confident107 Ų10776.2 Ų76.265%0.64837%0.37SS*.Hα-helixtrans-72.2-47.9-179.1177.50000109.4D77 A82 C83D77-V79 VanDerWaalsContact C-N 3.32Å; D77-V79 PolarHBondContact O-N 3.35Å; D77-V79 WeakPolarHBondContact OD1-CA 3.38Å; D77-V79 WeakPolarHBondContact OD1-CB 3.06Å; D77-V79 PolarHBondContact OD1-N 3.4Å; V79-A82 PolarHBondContact O-N 2.75Å; V79-C83 PolarHBondContact O-N 2.77Å; V79-C83 PolarHBondContact O-SG 2.95Å
80F76Confident73Confident51 Ų5178.7 Ų78.722%0.22438%0.382CS..Hα-helixtrans-64.4-44.6176.5-179.8-88.4000111.1Y70 L71 A74 D77 A82 C83 L84Y70-F80 HydrophobicContact CE1-CE2 4.47Å; Y70-F80 HydrophobicContact CE1-CZ 4.42Å; L71-F80 HydrophobicContact CD1-CE1 3.94Å; L71-F80 HydrophobicContact CD1-CZ 4.11Å; A74-F80 VanDerWaalsContact C-CD1 3.43Å; A74-F80 HydrophobicContact CB-CB 4.4Å; A74-F80 HydrophobicContact CB-CD1 3.37Å; A74-F80 HydrophobicContact CB-CD2 4.11Å; A74-F80 HydrophobicContact CB-CE1 3.46Å; A74-F80 VanDerWaalsContact CB-CE1 3.46Å; A74-F80 HydrophobicContact CB-CE2 4.2Å; A74-F80 HydrophobicContact CB-CG 3.7Å; A74-F80 HydrophobicContact CB-CZ 3.89Å; A74-F80 WeakPolarHBondContact O-CB 3.4Å; A74-F80 WeakPolarHBondContact O-CD1 3.43Å; D77-F80 HydrophobicContact CB-CB 4.14Å; D77-F80 PolarHBondContact O-N 3.49Å; D77-F80 PolarHBondContact OD1-N 3.11Å; F80-A82 VanDerWaalsContact C-N 3.28Å; F80-A82 PolarHBondContact O-N 2.85Å; F80-C83 PolarHBondContact O-N 3.47Å; F80-C83 VanDerWaalsContact O-N 3.1Å; F80-L84 HydrophobicContact CD1-CB 4.37Å; F80-L84 HydrophobicContact CE1-CB 4.1Å; F80-L84 HydrophobicContact CE1-CD2 3.9Å; F80-L84 WeakPolarHBondContact O-CB 3.43Å; F80-L84 PolarHBondContact O-N 2.98Å
81A70.9Confident72Confident20 Ų2075.9 Ų75.917%0.16538%0.375CS..Hα-helixtrans-55.8-43.9175.400000111.6I11 D77 L84 V85I11-A81 HydrophobicContact CD1-CB 3.87Å; D77-A81 WeakPolarHBondContact O-CB 3.36Å; D77-A81 PolarHBondContact O-N 2.83Å; A81-L84 PolarHBondContact O-N 3.06Å; A81-V85 VanDerWaalsContact O-CB 3.31Å; A81-V85 WeakPolarHBondContact O-CB 3.37Å; A81-V85 WeakPolarHBondContact O-CG2 3.46Å; A81-V85 PolarHBondContact O-N 3.25Å
82A70.6Confident71.1Confident58 Ų5884.4 Ų84.448%0.47941%0.411SS..Hα-helixtrans-64.1-41176.100000112.7Q78 V79 F80 R86Q78-A82 VanDerWaalsContact O-CB 3.3Å; Q78-A82 WeakPolarHBondContact O-CB 3.44Å; Q78-A82 PolarHBondContact O-N 2.96Å; V79-A82 PolarHBondContact O-N 2.75Å; F80-A82 VanDerWaalsContact C-N 3.28Å; F80-A82 PolarHBondContact O-N 2.85Å; A82-R86 WeakPolarHBondContact O-CB 3.38Å; A82-R86 PolarHBondContact O-N 3.29Å
83C75.1Confident70.2Confident74 Ų7486.3 Ų86.350%0.543%0.431SS..Hα-helixtrans-66.7-45.2176.8-67.70000111.9V79 F80 R86 Y87V79-C83 PolarHBondContact O-N 2.77Å; V79-C83 PolarHBondContact O-SG 2.95Å; F80-C83 PolarHBondContact O-N 3.47Å; F80-C83 VanDerWaalsContact O-N 3.1Å; C83-R86 WeakPolarHBondContact O-CB 3.37Å; C83-R86 PolarHBondContact O-N 3.44Å; C83-R86 VanDerWaalsContact O-N 3.15Å; C83-Y87 PolarHBondContact O-N 3.45Å
84L71.9Confident69.3Low21 Ų2185.9 Ų85.911%0.1143%0.431CS..Hα-helixtrans-62.2-45.8176.9-179.462.9000110.3I11 L71 F80 A81 R86 Y87 L88I11-L84 HydrophobicContact CD1-CB 4.08Å; I11-L84 HydrophobicContact CD1-CD2 3.67Å; I11-L84 HydrophobicContact CD1-CG 4.09Å; I11-L84 HydrophobicContact CG1-CD2 4.42Å; L71-L84 HydrophobicContact CD1-CD2 3.72Å; F80-L84 HydrophobicContact CD1-CB 4.37Å; F80-L84 HydrophobicContact CE1-CB 4.1Å; F80-L84 HydrophobicContact CE1-CD2 3.9Å; F80-L84 WeakPolarHBondContact O-CB 3.43Å; F80-L84 PolarHBondContact O-N 2.98Å; A81-L84 PolarHBondContact O-N 3.06Å; L84-R86 VanDerWaalsContact C-N 3.29Å; L84-R86 PolarHBondContact O-N 3.44Å; L84-Y87 PolarHBondContact O-N 3Å; L84-L88 HydrophobicContact CD1-CD1 4.12Å; L84-L88 HydrophobicContact CD1-CG 4.13Å; L84-L88 HydrophobicContact CG-CD1 3.89Å; L84-L88 HydrophobicContact CG-CG 4.3Å; L84-L88 WeakPolarHBondContact O-CB 3.49Å; L84-L88 WeakPolarHBondContact O-CG 3.23Å; L84-L88 PolarHBondContact O-N 3.13Å
85V68.5Low68.7Low10 Ų1086.1 Ų86.16%0.06143%0.431CS..Hα-helixtrans-57.6-43.7173.2167.20000110.8A8 I11 A81 Y87 L88 R89A8-V85 VanDerWaalsContact O-CG1 3.29Å; A8-V85 WeakPolarHBondContact O-CG1 3.46Å; I11-V85 HydrophobicContact CD1-CG2 3.85Å; I11-V85 HydrophobicContact CG1-CG2 3.81Å; A81-V85 VanDerWaalsContact O-CB 3.31Å; A81-V85 WeakPolarHBondContact O-CB 3.37Å; A81-V85 WeakPolarHBondContact O-CG2 3.46Å; A81-V85 PolarHBondContact O-N 3.25Å; V85-Y87 PolarHBondContact O-N 3.41Å; V85-L88 PolarHBondContact O-N 3.09Å; V85-R89 WeakPolarHBondContact O-CG 3.46Å; V85-R89 PolarHBondContact O-N 2.89Å
86R71.5Confident68.5Low177 Ų17785.7 Ų85.767%0.66843%0.428SS*.Hα-helixtrans-62.4-41.9177.5-175.3178.1178.21160.2112.2A82 C83 L84 R89A82-R86 WeakPolarHBondContact O-CB 3.38Å; A82-R86 PolarHBondContact O-N 3.29Å; C83-R86 WeakPolarHBondContact O-CB 3.37Å; C83-R86 PolarHBondContact O-N 3.44Å; C83-R86 VanDerWaalsContact O-N 3.15Å; L84-R86 VanDerWaalsContact C-N 3.29Å; L84-R86 PolarHBondContact O-N 3.44Å; R86-R89 WeakPolarHBondContact O-CB 3.31Å; R86-R89 PolarHBondContact O-N 2.76Å
87Y69.7Low68.2Low129 Ų12980.7 Ų80.751%0.50640%0.404SS..Hα-helixtrans-64-46.1174.3175.7-103.7000111.4C83 L84 V85 R89 H90C83-Y87 PolarHBondContact O-N 3.45Å; L84-Y87 PolarHBondContact O-N 3Å; V85-Y87 PolarHBondContact O-N 3.41Å; Y87-R89 VanDerWaalsContact C-N 3.27Å; Y87-R89 PolarHBondContact O-N 3.49Å; Y87-H90 WeakPolarHBondContact O-CB 3.37Å; Y87-H90 PolarHBondContact O-N 3.05Å
88L65.6Low67.9Low11 Ų1177.8 Ų77.86%0.05839%0.387CS..Hα-helixtrans-68.2-22.5180-65.9176.5000113.1C6 L84 V85 H90 L91C6-L88 HydrophobicContact CB-CD1 3.21Å; L84-L88 HydrophobicContact CD1-CD1 4.12Å; L84-L88 HydrophobicContact CD1-CG 4.13Å; L84-L88 HydrophobicContact CG-CD1 3.89Å; L84-L88 HydrophobicContact CG-CG 4.3Å; L84-L88 WeakPolarHBondContact O-CB 3.49Å; L84-L88 WeakPolarHBondContact O-CG 3.23Å; L84-L88 PolarHBondContact O-N 3.13Å; V85-L88 PolarHBondContact O-N 3.09Å; L88-H90 PolarHBondContact O-N 3.25Å; L88-L91 HydrophobicContact CD2-CD1 3.52Å; L88-L91 HydrophobicContact CD2-CG 4.45Å; L88-L91 CarbonylContact O-C 3.55Å; L88-L91 WeakPolarHBondContact O-CA 3.44Å; L88-L91 WeakPolarHBondContact O-CB 3.47Å; L88-L91 PolarHBondContact O-N 2.95Å
89R65.3Low67.7Low146 Ų14669.6 Ų69.655%0.55135%0.349SS*.THydrogen-bonded Turntrans-60.3-27.4168.5-76.1177-159.3165.98.6113.2A8 V85 R86 Y87 L91A8-R89 HydrophobicContact CB-CG 4.25Å; A8-R89 WeakPolarHBondContact O-CG 3.27Å; A8-R89 PolarHBondContact O-NE 3.25Å; V85-R89 WeakPolarHBondContact O-CG 3.46Å; V85-R89 PolarHBondContact O-N 2.89Å; R86-R89 WeakPolarHBondContact O-CB 3.31Å; R86-R89 PolarHBondContact O-N 2.76Å; Y87-R89 VanDerWaalsContact C-N 3.27Å; Y87-R89 PolarHBondContact O-N 3.49Å; R89-L91 VanDerWaalsContact C-N 3.3Å
90H66.3Low67.3Low156 Ų15664.6 Ų64.672%0.72232%0.319SS*.THydrogen-bonded Turntrans-76-23.8174.5-69.3-63000112Y87 L88Y87-H90 WeakPolarHBondContact O-CB 3.37Å; Y87-H90 PolarHBondContact O-N 3.05Å; L88-H90 PolarHBondContact O-N 3.25Å
91L56.7Low66.9Low71 Ų7169 Ų6937%0.37233%0.334SS..SBendtrans-75.3133.8166.6-56-179.2000108L88 R89L88-L91 HydrophobicContact CD2-CD1 3.52Å; L88-L91 HydrophobicContact CD2-CG 4.45Å; L88-L91 CarbonylContact O-C 3.55Å; L88-L91 WeakPolarHBondContact O-CA 3.44Å; L88-L91 WeakPolarHBondContact O-CB 3.47Å; L88-L91 PolarHBondContact O-N 2.95Å; R89-L91 VanDerWaalsContact C-N 3.3Å
92K56Low66.8Low190 Ų19072.7 Ų72.783%0.82635%0.348SS*.  trans-51.2153.7179.6-66.4-177.9177.5-176.60110.9V94K92-V94 PolarHBondContact O-N 3.48Å
93T56.9Low66.5Low110 Ų11073.7 Ų73.768%0.67534%0.34SS*.SBendtrans-5429.3-16648.20000118.9
94V58.2Low65.9Low78 Ų7871.9 Ų71.947%0.47332%0.324SS..SBendtrans-110.3130.7-178.3-164.40000109.2N59 K92 A96N59-V94 WeakPolarHBondContact ND2-CB 3.46Å; N59-V94 WeakPolarHBondContact ND2-CG1 3.32Å; K92-V94 PolarHBondContact O-N 3.48Å; V94-A96 PolarHBondContact O-N 3.44Å
95P63.5Low65.4Low18 Ų1878.9 Ų78.912%0.11735%0.349CS..  trans-57.5133.4175.220.6-31.3000111.2V5 C6 Y7 N59 V121 V125V5-P95 HydrophobicContact CG1-CB 4.36Å; C6-P95 WeakPolarHBondContact O-CA 3.46Å; Y7-P95 HydrophobicContact CD1-CB 3.84Å; Y7-P95 HydrophobicContact CE1-CB 3.46Å; Y7-P95 VanDerWaalsContact CE1-CB 3.46Å; Y7-P95 HydrophobicContact CE1-CG 3.96Å; N59-P95 WeakPolarHBondContact CB-O 3.41Å; P95-V121 HydrophobicContact CG-CG1 3.45Å; P95-V121 VanDerWaalsContact CG-CG1 3.45Å; P95-V125 HydrophobicContact CG-CG2 4.12Å
96A68.3Low65.2Low6 Ų680.7 Ų80.75%0.0536%0.36CS..EExtended strand (participates in β ladder)trans-98.7132174.800000109.9V5 C6 N59 F61 V94 F98V5-A96 CarbonylContact C-O 3.57Å; V5-A96 WeakPolarHBondContact CA-O 3.38Å; C6-A96 PolarHBondContact N-O 3.44Å; C6-A96 PolarHBondContact O-N 3.38Å; N59-A96 HydrophobicContact CB-CB 4.17Å; N59-A96 CarbonylContact O-C 3.49Å; N59-A96 VanDerWaalsContact O-CA 3.23Å; N59-A96 WeakPolarHBondContact O-CA 3.47Å; F61-A96 HydrophobicContact CD2-CB 3.99Å; F61-A96 HydrophobicContact CE2-CB 3.73Å; V94-A96 PolarHBondContact O-N 3.44Å; A96-F98 HydrophobicContact CB-CE2 3.84Å; A96-F98 HydrophobicContact CB-CZ 4.3Å
97I69.8Low64.7Low2 Ų272.6 Ų72.61%0.0133%0.33CS..EExtended strand (participates in β ladder)trans-108.7120.1173.7-56.8-176.3000108A3 V5 N59 V60 F61 L99 I117 L120 V121A3-I97 HydrophobicContact CB-CG2 3.99Å; V5-I97 HydrophobicContact CB-CG1 4.49Å; V5-I97 HydrophobicContact CG1-CG1 4.07Å; V5-I97 HydrophobicContact CG2-CD1 4.35Å; V5-I97 HydrophobicContact CG2-CG1 3.97Å; V5-I97 HydrophobicContact CG2-CG2 4.3Å; N59-I97 PolarHBondContact O-N 2.95Å; V60-I97 CarbonylContact C-O 3.47Å; V60-I97 WeakPolarHBondContact CA-O 3.16Å; V60-I97 HydrophobicContact CG2-CB 4.47Å; F61-I97 PolarHBondContact N-O 2.9Å; I97-L99 HydrophobicContact CG2-CD1 4.41Å; I97-L99 HydrophobicContact CG2-CD2 4Å; I97-L99 HydrophobicContact CG2-CG 3.94Å; I97-I117 HydrophobicContact CD1-CD1 3.81Å; I97-I117 HydrophobicContact CD1-CG2 4.1Å; I97-L120 HydrophobicContact CD1-CD2 4.03Å; I97-V121 HydrophobicContact CD1-CG2 3.49Å; I97-V121 VanDerWaalsContact CD1-CG2 3.49Å; I97-V121 HydrophobicContact CG1-CG2 4.3Å
98F73.1Confident64.2Low24 Ų2467.7 Ų67.711%0.10531%0.314CS..EExtended strand (participates in β ladder)trans-96.6127.7171.8-62-91.6000109.2I4 C6 F61 L63 F68 L71 A96I4-F98 HydrophobicContact CB-CB 4.3Å; I4-F98 PolarHBondContact N-O 2.89Å; I4-F98 VanDerWaalsContact N-O 3.09Å; I4-F98 PolarHBondContact O-N 3.25Å; C6-F98 HydrophobicContact CB-CE2 4.06Å; C6-F98 VanDerWaalsContact SG-CE2 3.59Å; F61-F98 HydrophobicContact CB-CD1 3.5Å; F61-F98 VanDerWaalsContact CB-CD1 3.5Å; F61-F98 HydrophobicContact CB-CE1 3.61Å; F61-F98 HydrophobicContact CB-CG 4.34Å; F61-F98 HydrophobicContact CD2-CD1 4.27Å; F61-F98 AromaticContact CD2-CE1 3.75Å; F61-F98 HydrophobicContact CD2-CE1 3.75Å; F61-F98 HydrophobicContact CD2-CE2 4.43Å; F61-F98 AromaticContact CD2-CZ 3.84Å; F61-F98 HydrophobicContact CD2-CZ 3.84Å; F61-F98 HydrophobicContact CE2-CZ 4.4Å; F61-F98 HydrophobicContact CG-CD1 4.16Å; F61-F98 AromaticContact CG-CE1 3.77Å; F61-F98 HydrophobicContact CG-CE1 3.77Å; F61-F98 HydrophobicContact CG-CZ 4.32Å; F61-F98 WeakPolarHBondContact O-CA 3.39Å; L63-F98 HydrophobicContact CD1-CB 3.83Å; L63-F98 HydrophobicContact CD1-CD1 3.72Å; L63-F98 HydrophobicContact CD1-CG 4.13Å; L63-F98 HydrophobicContact CD2-CD1 4.34Å; L63-F98 HydrophobicContact CG-CD1 4.05Å; F68-F98 WeakPolarHBondContact CE2-O 3.4Å; L71-F98 HydrophobicContact CD2-CB 4.02Å; L71-F98 HydrophobicContact CD2-CD1 3.97Å; L71-F98 HydrophobicContact CD2-CD2 4.12Å; L71-F98 HydrophobicContact CD2-CG 3.76Å; A96-F98 HydrophobicContact CB-CE2 3.84Å; A96-F98 HydrophobicContact CB-CZ 4.3Å
99L70.7Confident64.1Low2 Ų273.2 Ų73.21%0.0134%0.344CS..EExtended strand (participates in β ladder)trans-127144.8-179.8-64.4170.8000110.4A3 L16 V60 F61 S62 L63 I97 R101 L107 W113A3-L99 HydrophobicContact CB-CD2 3.38Å; L16-L99 HydrophobicContact CD1-CD2 3.81Å; V60-L99 HydrophobicContact CG1-CD1 3.77Å; V60-L99 HydrophobicContact CG1-CG 4.45Å; F61-L99 PolarHBondContact O-N 3.17Å; S62-L99 WeakPolarHBondContact CA-O 3.5Å; L63-L99 PolarHBondContact N-O 3.19Å; I97-L99 HydrophobicContact CG2-CD1 4.41Å; I97-L99 HydrophobicContact CG2-CD2 4Å; I97-L99 HydrophobicContact CG2-CG 3.94Å; L99-R101 PolarHBondContact O-N 3.5Å; L99-L107 HydrophobicContact CD1-CD1 4.21Å; L99-W113 HydrophobicContact CD1-CZ2 3.87Å
100P68.8Low64.3Low3 Ų369.6 Ų69.62%0.01934%0.336CS..EExtended strand (participates in β ladder)trans-59.1132.7166.8-18.129.2000110.1L63 F68 Q102 Y103 Q104L63-P100 CarbonylContact O-C 3.6Å; L63-P100 WeakPolarHBondContact O-CA 3.46Å; F68-P100 HydrophobicContact CB-CB 4.49Å; F68-P100 HydrophobicContact CB-CG 4.24Å; F68-P100 HydrophobicContact CD1-CG 3.69Å; F68-P100 HydrophobicContact CD2-CG 3.81Å; F68-P100 HydrophobicContact CE1-CG 3.91Å; F68-P100 HydrophobicContact CE2-CG 4.04Å; F68-P100 HydrophobicContact CG-CB 4.37Å; F68-P100 HydrophobicContact CG-CG 3.62Å; F68-P100 HydrophobicContact CZ-CG 4.08Å; P100-Q102 HydrophobicContact CB-CG 3.9Å; P100-Q102 PolarHBondContact O-N 2.87Å; P100-Q102 VanDerWaalsContact O-N 3.16Å; P100-Y103 HydrophobicContact CB-CD2 3.61Å; P100-Y103 HydrophobicContact CB-CE2 3.99Å; P100-Y103 HydrophobicContact CG-CD2 3.6Å; P100-Y103 HydrophobicContact CG-CE2 3.86Å; P100-Y103 PolarHBondContact O-N 3.38Å; P100-Q104 PolarHBondContact O-N 2.65Å
101R67.7Low64.3Low144 Ų14467 Ų6754%0.54333%0.332SS..Hα-helixtrans-57.1-34.2-175.3-170.9177.5-175.9-178.12112.4L63 L99 Y103 Q104L63-R101 WeakPolarHBondContact O-CB 3.47Å; L63-R101 PolarHBondContact O-N 3.49Å; L99-R101 PolarHBondContact O-N 3.5Å; R101-Y103 PolarHBondContact O-N 3.41Å; R101-Q104 PolarHBondContact O-N 3.08Å; R101-Q104 VanDerWaalsContact O-N 3.13Å
102Q67.9Low64.9Low96 Ų9669.3 Ų69.345%0.44934%0.343SS..Hα-helixtrans-55.5-33.2174.260.9-175.16.600112.7P100 T106P100-Q102 HydrophobicContact CB-CG 3.9Å; P100-Q102 PolarHBondContact O-N 2.87Å; P100-Q102 VanDerWaalsContact O-N 3.16Å; Q102-T106 PolarHBondContact O-OG1 2.87Å
103Y64.6Low65.4Low79 Ų7960.6 Ų60.631%0.3131%0.305SS..Hα-helixtrans-90.8-26.3178.1-57.9-55000112.5M1 P100 R101 R105 T106 L107M1-Y103 HydrophobicContact CE-CD1 3.55Å; M1-Y103 HydrophobicContact CE-CD2 4.45Å; M1-Y103 HydrophobicContact CE-CE1 4.32Å; M1-Y103 HydrophobicContact CE-CG 3.62Å; M1-Y103 HydrophobicContact CG-CE1 4.44Å; P100-Y103 HydrophobicContact CB-CD2 3.61Å; P100-Y103 HydrophobicContact CB-CE2 3.99Å; P100-Y103 HydrophobicContact CG-CD2 3.6Å; P100-Y103 HydrophobicContact CG-CE2 3.86Å; P100-Y103 PolarHBondContact O-N 3.38Å; R101-Y103 PolarHBondContact O-N 3.41Å; Y103-R105 VanDerWaalsContact C-N 3.33Å; Y103-R105 PolarHBondContact O-N 2.95Å; Y103-T106 PolarHBondContact O-N 3.14Å; Y103-L107 VanDerWaalsContact O-CB 3.23Å; Y103-L107 WeakPolarHBondContact O-CB 3.43Å; Y103-L107 VanDerWaalsContact O-CD1 3.27Å; Y103-L107 WeakPolarHBondContact O-CD1 3.18Å; Y103-L107 WeakPolarHBondContact O-CG 3.31Å; Y103-L107 PolarHBondContact O-N 3.34Å
104Q63.5Low65.9Low37 Ų3760 Ų6017%0.17329%0.293CS..Hα-helixtrans-56.3-47178.9-172.3-165.15.600111.5S62 P100 R101 L107 C108S62-Q104 PolarHBondContact OG-OE1 2.86Å; P100-Q104 PolarHBondContact O-N 2.65Å; R101-Q104 PolarHBondContact O-N 3.08Å; R101-Q104 VanDerWaalsContact O-N 3.13Å; Q104-L107 PolarHBondContact O-N 3.11Å; Q104-C108 VanDerWaalsContact CG-SG 3.52Å; Q104-C108 WeakPolarHBondContact O-CB 3.4Å; Q104-C108 PolarHBondContact O-N 3.02Å; Q104-C108 PolarHBondContact O-SG 2.99Å; Q104-C108 VanDerWaalsContact O-SG 3.4Å
105R62Low66.5Low168 Ų16861 Ų6163%0.63430%0.295SS*.Hα-helixtrans-58.6-53-179.9-73.1-176.3178.2166-0.9110.9Y103 L107 C108 D109Y103-R105 VanDerWaalsContact C-N 3.33Å; Y103-R105 PolarHBondContact O-N 2.95Å; R105-L107 PolarHBondContact O-N 2.96Å; R105-C108 PolarHBondContact O-N 3.36Å; R105-D109 VanDerWaalsContact O-CG 3.31Å; R105-D109 PolarHBondContact O-N 3.14Å
106T62.4Low66.9Low47 Ų4762 Ų6229%0.28830%0.3SS..Hα-helixtrans-59.6-32.9-179.9-44.80000113.3L21 Q102 Y103L21-T106 HydrophobicContact CD1-CG2 3.71Å; L21-T106 HydrophobicContact CD2-CG2 3.15Å; L21-T106 HydrophobicContact CG-CG2 4.06Å; Q102-T106 PolarHBondContact O-OG1 2.87Å; Y103-T106 PolarHBondContact O-N 3.14Å
107L60.9Low66.9Low7 Ų762.2 Ų62.24%0.03730%0.3CS..Hα-helixtrans-86.6-44.5-177.8-69.8165000112.7M1 L99 Y103 Q104 R105 D109 N110 W113M1-L107 HydrophobicContact CE-CD1 3.68Å; M1-L107 HydrophobicContact CE-CD2 3.96Å; M1-L107 HydrophobicContact CE-CG 3.97Å; L99-L107 HydrophobicContact CD1-CD1 4.21Å; Y103-L107 VanDerWaalsContact O-CB 3.23Å; Y103-L107 WeakPolarHBondContact O-CB 3.43Å; Y103-L107 VanDerWaalsContact O-CD1 3.27Å; Y103-L107 WeakPolarHBondContact O-CD1 3.18Å; Y103-L107 WeakPolarHBondContact O-CG 3.31Å; Y103-L107 PolarHBondContact O-N 3.34Å; Q104-L107 PolarHBondContact O-N 3.11Å; R105-L107 PolarHBondContact O-N 2.96Å; L107-D109 VanDerWaalsContact C-N 3.28Å; L107-D109 PolarHBondContact O-N 3.31Å; L107-N110 PolarHBondContact O-N 3.02Å; L107-W113 HydrophobicContact CB-CD2 3.83Å; L107-W113 HydrophobicContact CB-CE3 4.5Å; L107-W113 HydrophobicContact CB-CG 3.91Å; L107-W113 HydrophobicContact CB-CZ2 4.22Å; L107-W113 HydrophobicContact CD1-CH2 3.91Å; L107-W113 HydrophobicContact CD1-CZ2 3.59Å; L107-W113 HydrophobicContact CD1-CZ3 4.48Å; L107-W113 HydrophobicContact CD2-CD2 3.67Å; L107-W113 HydrophobicContact CD2-CE3 3.44Å; L107-W113 VanDerWaalsContact CD2-CE3 3.44Å; L107-W113 HydrophobicContact CD2-CG 4.4Å; L107-W113 HydrophobicContact CD2-CH2 3.86Å; L107-W113 HydrophobicContact CD2-CZ2 4.03Å; L107-W113 HydrophobicContact CD2-CZ3 3.57Å; L107-W113 HydrophobicContact CG-CD2 4.21Å; L107-W113 HydrophobicContact CG-CE3 4.42Å; L107-W113 HydrophobicContact CG-CH2 4.42Å; L107-W113 HydrophobicContact CG-CZ2 4.16Å; L107-W113 WeakPolarHBondContact O-CB 3.48Å
108C60.3Low66.9Low26 Ų2665.8 Ų65.818%0.17633%0.326CS..Hα-helixtrans-67.3-28.2-175-77.60000113.1Q104 R105 N110Q104-C108 VanDerWaalsContact CG-SG 3.52Å; Q104-C108 WeakPolarHBondContact O-CB 3.4Å; Q104-C108 PolarHBondContact O-N 3.02Å; Q104-C108 PolarHBondContact O-SG 2.99Å; Q104-C108 VanDerWaalsContact O-SG 3.4Å; R105-C108 PolarHBondContact O-N 3.36Å; C108-N110 PolarHBondContact O-N 2.93Å
109D64.2Low66.8Low127 Ų12773.4 Ų73.468%0.67935%0.354SS*.THydrogen-bonded Turntrans-72.4-17.3178.8-65.7-21.5000112.4R105 L107R105-D109 VanDerWaalsContact O-CG 3.31Å; R105-D109 PolarHBondContact O-N 3.14Å; L107-D109 VanDerWaalsContact C-N 3.28Å; L107-D109 PolarHBondContact O-N 3.31Å
110N68.3Low66.9Low71 Ų7174.5 Ų74.538%0.3836%0.359SS..  trans-95.6117.7-179.6-166.1-37.2000111.7L107 C108 M112 W113L107-N110 PolarHBondContact O-N 3.02Å; C108-N110 PolarHBondContact O-N 2.93Å; N110-M112 PolarHBondContact O-N 3.27Å; N110-M112 VanDerWaalsContact O-N 3.13Å; N110-M112 WeakPolarHBondContact OD1-CB 3.45Å; N110-M112 PolarHBondContact OD1-N 3.39Å; N110-W113 WeakPolarHBondContact O-CB 3.34Å; N110-W113 PolarHBondContact O-N 2.77Å
111P67.3Low67.1Low101 Ų10176 Ų7666%0.65637%0.368SS*.Hα-helixtrans-60.8-26178.224.9-34000113.2W113 K114P111-W113 PolarHBondContact O-N 2.93Å; P111-K114 PolarHBondContact O-N 3.04Å
112M68.1Low67.4Low119 Ų11973.8 Ų73.859%0.58636%0.363SS*.Hα-helixtrans-61.6-29174.6-163-173.2-57.600111.8N110 K114 I115 V116N110-M112 PolarHBondContact O-N 3.27Å; N110-M112 VanDerWaalsContact O-N 3.13Å; N110-M112 WeakPolarHBondContact OD1-CB 3.45Å; N110-M112 PolarHBondContact OD1-N 3.39Å; M112-K114 VanDerWaalsContact C-N 3.35Å; M112-K114 PolarHBondContact O-N 3.24Å; M112-I115 WeakPolarHBondContact O-CB 3.3Å; M112-I115 PolarHBondContact O-N 3.23Å; M112-I115 VanDerWaalsContact O-N 3.14Å; M112-V116 WeakPolarHBondContact O-CG2 3.49Å; M112-V116 PolarHBondContact O-N 3.39Å
113W67.6Low67.7Low8 Ų871.7 Ų71.73%0.0336%0.362CS..Hα-helixtrans-64.4-37.8-179.6179.5-118.4000113L16 L99 L107 N110 P111 I115 V116 I117L16-W113 HydrophobicContact CD1-CH2 3.64Å; L16-W113 HydrophobicContact CD1-CZ2 4.42Å; L16-W113 HydrophobicContact CD1-CZ3 4.49Å; L16-W113 HydrophobicContact CD2-CH2 3.75Å; L16-W113 HydrophobicContact CD2-CZ3 4.37Å; L16-W113 HydrophobicContact CG-CH2 4.23Å; L99-W113 HydrophobicContact CD1-CZ2 3.87Å; L107-W113 HydrophobicContact CB-CD2 3.83Å; L107-W113 HydrophobicContact CB-CE3 4.5Å; L107-W113 HydrophobicContact CB-CG 3.91Å; L107-W113 HydrophobicContact CB-CZ2 4.22Å; L107-W113 HydrophobicContact CD1-CH2 3.91Å; L107-W113 HydrophobicContact CD1-CZ2 3.59Å; L107-W113 HydrophobicContact CD1-CZ3 4.48Å; L107-W113 HydrophobicContact CD2-CD2 3.67Å; L107-W113 HydrophobicContact CD2-CE3 3.44Å; L107-W113 VanDerWaalsContact CD2-CE3 3.44Å; L107-W113 HydrophobicContact CD2-CG 4.4Å; L107-W113 HydrophobicContact CD2-CH2 3.86Å; L107-W113 HydrophobicContact CD2-CZ2 4.03Å; L107-W113 HydrophobicContact CD2-CZ3 3.57Å; L107-W113 HydrophobicContact CG-CD2 4.21Å; L107-W113 HydrophobicContact CG-CE3 4.42Å; L107-W113 HydrophobicContact CG-CH2 4.42Å; L107-W113 HydrophobicContact CG-CZ2 4.16Å; L107-W113 WeakPolarHBondContact O-CB 3.48Å; N110-W113 WeakPolarHBondContact O-CB 3.34Å; N110-W113 PolarHBondContact O-N 2.77Å; P111-W113 PolarHBondContact O-N 2.93Å; W113-I115 PolarHBondContact O-N 2.92Å; W113-V116 HydrophobicContact CE3-CB 4.03Å; W113-V116 HydrophobicContact CE3-CG1 4.03Å; W113-V116 HydrophobicContact CZ3-CB 4.34Å; W113-V116 HydrophobicContact CZ3-CG1 3.83Å; W113-V116 PolarHBondContact O-N 2.94Å; W113-V116 VanDerWaalsContact O-N 3.14Å; W113-I117 HydrophobicContact CD2-CD1 4.5Å; W113-I117 HydrophobicContact CD2-CG1 3.73Å; W113-I117 HydrophobicContact CE3-CG1 4.21Å; W113-I117 HydrophobicContact CG-CG1 4.36Å; W113-I117 HydrophobicContact CH2-CD1 3.39Å; W113-I117 HydrophobicContact CH2-CG1 3.72Å; W113-I117 HydrophobicContact CZ2-CD1 3.15Å; W113-I117 HydrophobicContact CZ2-CG1 3.2Å; W113-I117 HydrophobicContact CZ3-CD1 4.18Å; W113-I117 HydrophobicContact CZ3-CG1 4.19Å; W113-I117 PolarHBondContact O-N 3.19Å
114K66.7Low68.2Low98 Ų9868.4 Ų68.443%0.42635%0.349SS..Hα-helixtrans-58.2-37.9175.5-68.1-179179.1175.40111P111 M112 S118P111-K114 PolarHBondContact O-N 3.04Å; M112-K114 VanDerWaalsContact C-N 3.35Å; M112-K114 PolarHBondContact O-N 3.24Å; K114-S118 WeakPolarHBondContact O-CB 3.27Å; K114-S118 PolarHBondContact O-N 2.89Å; K114-S118 VanDerWaalsContact O-N 3.08Å
115I70.6Confident68.8Low99 Ų9968.8 Ų68.851%0.50835%0.354SS..Hα-helixtrans-70.5-46.1176.8-57.7172.9000110.4M112 W113 S118 R119M112-I115 WeakPolarHBondContact O-CB 3.3Å; M112-I115 PolarHBondContact O-N 3.23Å; M112-I115 VanDerWaalsContact O-N 3.14Å; W113-I115 PolarHBondContact O-N 2.92Å; I115-S118 PolarHBondContact O-N 3.05Å; I115-R119 WeakPolarHBondContact O-CB 3.32Å; I115-R119 WeakPolarHBondContact O-CG 3.07Å; I115-R119 PolarHBondContact O-N 3.33Å
116V71.6Confident69.7Low39 Ų3961.3 Ų61.324%0.23633%0.327CS..Hα-helixtrans-60.9-49.6179.7173.80000111.2P17 M112 W113 R119 L120P17-V116 HydrophobicContact CG-CG1 4.31Å; M112-V116 WeakPolarHBondContact O-CG2 3.49Å; M112-V116 PolarHBondContact O-N 3.39Å; W113-V116 HydrophobicContact CE3-CB 4.03Å; W113-V116 HydrophobicContact CE3-CG1 4.03Å; W113-V116 HydrophobicContact CZ3-CB 4.34Å; W113-V116 HydrophobicContact CZ3-CG1 3.83Å; W113-V116 PolarHBondContact O-N 2.94Å; W113-V116 VanDerWaalsContact O-N 3.14Å; V116-R119 PolarHBondContact O-N 3.13Å; V116-L120 VanDerWaalsContact O-CB 3.3Å; V116-L120 WeakPolarHBondContact O-CB 3.5Å; V116-L120 PolarHBondContact O-N 2.89Å
117I69.8Low70.5Confident9 Ų964.5 Ų64.55%0.04634%0.338CS..Hα-helixtrans-62.5-45.3178.1-77.7-58.6000111.6L57 V60 I97 W113 R119 L120 V121L57-I117 HydrophobicContact CD2-CG2 4.39Å; V60-I117 HydrophobicContact CG2-CG2 4.45Å; I97-I117 HydrophobicContact CD1-CD1 3.81Å; I97-I117 HydrophobicContact CD1-CG2 4.1Å; W113-I117 HydrophobicContact CD2-CD1 4.5Å; W113-I117 HydrophobicContact CD2-CG1 3.73Å; W113-I117 HydrophobicContact CE3-CG1 4.21Å; W113-I117 HydrophobicContact CG-CG1 4.36Å; W113-I117 HydrophobicContact CH2-CD1 3.39Å; W113-I117 HydrophobicContact CH2-CG1 3.72Å; W113-I117 HydrophobicContact CZ2-CD1 3.15Å; W113-I117 HydrophobicContact CZ2-CG1 3.2Å; W113-I117 HydrophobicContact CZ3-CD1 4.18Å; W113-I117 HydrophobicContact CZ3-CG1 4.19Å; W113-I117 PolarHBondContact O-N 3.19Å; I117-R119 VanDerWaalsContact C-N 3.29Å; I117-R119 PolarHBondContact O-N 3.44Å; I117-L120 PolarHBondContact O-N 2.95Å; I117-V121 HydrophobicContact CG2-CG2 4.14Å; I117-V121 WeakPolarHBondContact O-CB 3.22Å; I117-V121 VanDerWaalsContact O-CG2 3.31Å; I117-V121 WeakPolarHBondContact O-CG2 3.48Å; I117-V121 PolarHBondContact O-N 3.31Å
118S69.2Low71.4Confident78 Ų7865.3 Ų65.355%0.54534%0.342SS..Hα-helixtrans-57.5-44.6177.5177.20000111.5K114 I115 K122K114-S118 WeakPolarHBondContact O-CB 3.27Å; K114-S118 PolarHBondContact O-N 2.89Å; K114-S118 VanDerWaalsContact O-N 3.08Å; I115-S118 PolarHBondContact O-N 3.05Å; S118-K122 VanDerWaalsContact O-CB 3.29Å; S118-K122 WeakPolarHBondContact O-CB 3.49Å; S118-K122 PolarHBondContact O-N 3.45Å
119R71.5Confident72.5Confident184 Ų18465.2 Ų65.269%0.69434%0.341SS*.Hα-helixtrans-66.4-39.7176.3-72.5-176.9178.4-150.80.4112.8I115 V116 I117 K122 A123I115-R119 WeakPolarHBondContact O-CB 3.32Å; I115-R119 WeakPolarHBondContact O-CG 3.07Å; I115-R119 PolarHBondContact O-N 3.33Å; V116-R119 PolarHBondContact O-N 3.13Å; I117-R119 VanDerWaalsContact C-N 3.29Å; I117-R119 PolarHBondContact O-N 3.44Å; R119-K122 PolarHBondContact O-N 2.88Å; R119-A123 WeakPolarHBondContact O-CB 3.39Å; R119-A123 PolarHBondContact O-N 3.08Å
120L72.3Confident73.5Confident25 Ų2560 Ų6013%0.13131%0.313CS..Hα-helixtrans-67.5-48.2179.6-177.8136.5000111.5V5 V14 L16 I97 V116 I117 K122 A123 I124V5-L120 HydrophobicContact CG2-CD2 4.44Å; V14-L120 HydrophobicContact CG1-CD1 3.91Å; V14-L120 HydrophobicContact CG1-CG 4.46Å; L16-L120 HydrophobicContact CD2-CD1 3.64Å; I97-L120 HydrophobicContact CD1-CD2 4.03Å; V116-L120 VanDerWaalsContact O-CB 3.3Å; V116-L120 WeakPolarHBondContact O-CB 3.5Å; V116-L120 PolarHBondContact O-N 2.89Å; I117-L120 PolarHBondContact O-N 2.95Å; L120-K122 VanDerWaalsContact C-N 3.29Å; L120-K122 PolarHBondContact O-N 3.49Å; L120-A123 PolarHBondContact O-N 3.46Å; L120-I124 HydrophobicContact CD2-CD1 3.52Å; L120-I124 HydrophobicContact CG-CD1 4.03Å; L120-I124 WeakPolarHBondContact O-CD1 3.36Å; L120-I124 VanDerWaalsContact O-CG1 3.26Å; L120-I124 WeakPolarHBondContact O-CG1 3.4Å; L120-I124 PolarHBondContact O-N 3.3Å
121V72.3Confident74.4Confident34 Ų3458.8 Ų58.821%0.20631%0.313CS..Hα-helixtrans-54.8-49.3174168.50000110.3P95 I97 I117 A123 I124 V125P95-V121 HydrophobicContact CG-CG1 3.45Å; P95-V121 VanDerWaalsContact CG-CG1 3.45Å; I97-V121 HydrophobicContact CD1-CG2 3.49Å; I97-V121 VanDerWaalsContact CD1-CG2 3.49Å; I97-V121 HydrophobicContact CG1-CG2 4.3Å; I117-V121 HydrophobicContact CG2-CG2 4.14Å; I117-V121 WeakPolarHBondContact O-CB 3.22Å; I117-V121 VanDerWaalsContact O-CG2 3.31Å; I117-V121 WeakPolarHBondContact O-CG2 3.48Å; I117-V121 PolarHBondContact O-N 3.31Å; V121-A123 PolarHBondContact O-N 3.47Å; V121-I124 PolarHBondContact O-N 3.34Å; V121-V125 HydrophobicContact CG1-CG2 4.38Å; V121-V125 VanDerWaalsContact O-CG2 3.31Å; V121-V125 WeakPolarHBondContact O-CG2 3.48Å; V121-V125 PolarHBondContact O-N 3.25Å
122K73.8Confident75.4Confident98 Ų9858.9 Ų58.943%0.42630%0.301SS..Hα-helixtrans-59.1-47.1178.2-177177.7-177.5177.60112S118 R119 L120 I124 V125 I126 E167S118-K122 VanDerWaalsContact O-CB 3.29Å; S118-K122 WeakPolarHBondContact O-CB 3.49Å; S118-K122 PolarHBondContact O-N 3.45Å; R119-K122 PolarHBondContact O-N 2.88Å; L120-K122 VanDerWaalsContact C-N 3.29Å; L120-K122 PolarHBondContact O-N 3.49Å; K122-I124 VanDerWaalsContact C-N 3.32Å; K122-I124 PolarHBondContact O-N 2.97Å; K122-V125 PolarHBondContact O-N 3.08Å; K122-I126 HydrophobicContact CG-CD1 3.84Å; K122-I126 VanDerWaalsContact O-CG1 3.27Å; K122-I126 WeakPolarHBondContact O-CG1 3.14Å; K122-I126 PolarHBondContact O-N 3.01Å; K122-E167 WeakPolarHBondContact CE-OE1 3.29Å; K122-E167 IonicContact NZ-OE1 2.79Å; K122-E167 PolarHBondContact NZ-OE1 2.9Å
123A74.8Confident76.6Confident52 Ų5253.9 Ų53.943%0.4328%0.276SS..Hα-helixtrans-58.5-45.1179.600000111.7R119 L120 V121 I126 E127R119-A123 WeakPolarHBondContact O-CB 3.39Å; R119-A123 PolarHBondContact O-N 3.08Å; L120-A123 PolarHBondContact O-N 3.46Å; V121-A123 PolarHBondContact O-N 3.47Å; A123-I126 PolarHBondContact O-N 3.19Å; A123-E127 WeakPolarHBondContact O-CB 3.43Å; A123-E127 PolarHBondContact O-N 3.35Å
124I74.9Confident77.7Confident10 Ų1056.3 Ų56.35%0.05130%0.295CS..Hα-helixtrans-69.9-40.9-179-56158000111.5V5 Y7 V14 L120 V121 K122 I126 E127 E128V5-I124 HydrophobicContact CB-CD1 4.34Å; V5-I124 HydrophobicContact CG1-CD1 4.14Å; V5-I124 HydrophobicContact CG2-CD1 3.95Å; Y7-I124 HydrophobicContact CE1-CG2 4.27Å; Y7-I124 HydrophobicContact CE2-CG2 3.48Å; Y7-I124 VanDerWaalsContact CE2-CG2 3.48Å; Y7-I124 WeakPolarHBondContact OH-CB 3.44Å; Y7-I124 WeakPolarHBondContact OH-CG2 3.44Å; V14-I124 HydrophobicContact CG2-CD1 3.89Å; L120-I124 HydrophobicContact CD2-CD1 3.52Å; L120-I124 HydrophobicContact CG-CD1 4.03Å; L120-I124 WeakPolarHBondContact O-CD1 3.36Å; L120-I124 VanDerWaalsContact O-CG1 3.26Å; L120-I124 WeakPolarHBondContact O-CG1 3.4Å; L120-I124 PolarHBondContact O-N 3.3Å; V121-I124 PolarHBondContact O-N 3.34Å; K122-I124 VanDerWaalsContact C-N 3.32Å; K122-I124 PolarHBondContact O-N 2.97Å; I124-I126 VanDerWaalsContact C-N 3.27Å; I124-I126 PolarHBondContact O-N 3.32Å; I124-E127 PolarHBondContact O-N 3.29Å; I124-E128 PolarHBondContact O-N 3.5Å
125V76.9Confident79Confident45 Ų4557 Ų5727%0.27331%0.307SS..Hα-helixtrans-58.6-42.5175169.90000110.7Y7 P95 V121 K122 S129Y7-V125 HydrophobicContact CE1-CG2 3.82Å; P95-V125 HydrophobicContact CG-CG2 4.12Å; V121-V125 HydrophobicContact CG1-CG2 4.38Å; V121-V125 VanDerWaalsContact O-CG2 3.31Å; V121-V125 WeakPolarHBondContact O-CG2 3.48Å; V121-V125 PolarHBondContact O-N 3.25Å; K122-V125 PolarHBondContact O-N 3.08Å; V125-S129 VanDerWaalsContact O-CB 3.31Å; V125-S129 WeakPolarHBondContact O-CB 3.48Å; V125-S129 PolarHBondContact O-N 3.03Å; V125-S129 PolarHBondContact O-OG 3.42Å
126I79.3Confident80.1Confident11 Ų1155 Ų556%0.05630%0.297CS..Hα-helixtrans-66.8-41.4177.7-65.8170.6000110.9K122 A123 I124 S129 M130 L164 E167 I168K122-I126 HydrophobicContact CG-CD1 3.84Å; K122-I126 VanDerWaalsContact O-CG1 3.27Å; K122-I126 WeakPolarHBondContact O-CG1 3.14Å; K122-I126 PolarHBondContact O-N 3.01Å; A123-I126 PolarHBondContact O-N 3.19Å; I124-I126 VanDerWaalsContact C-N 3.27Å; I124-I126 PolarHBondContact O-N 3.32Å; I126-S129 PolarHBondContact O-N 3.36Å; I126-M130 HydrophobicContact CG2-CG 4.39Å; I126-M130 WeakPolarHBondContact O-CB 3.29Å; I126-M130 WeakPolarHBondContact O-CG 3.39Å; I126-M130 PolarHBondContact O-N 3.2Å; I126-L164 HydrophobicContact CG1-CD2 4.18Å; I126-L164 HydrophobicContact CG2-CB 4.16Å; I126-L164 HydrophobicContact CG2-CD2 4.21Å; I126-E167 HydrophobicContact CD1-CB 4.29Å; I126-E167 HydrophobicContact CD1-CG 3.77Å; I126-I168 HydrophobicContact CB-CG2 4.01Å; I126-I168 HydrophobicContact CD1-CG2 3.46Å; I126-I168 VanDerWaalsContact CD1-CG2 3.46Å; I126-I168 HydrophobicContact CG1-CG2 4.3Å; I126-I168 HydrophobicContact CG2-CD1 4.27Å; I126-I168 HydrophobicContact CG2-CG2 3.52Å
127E79.5Confident81.2Confident114 Ų11453.6 Ų53.653%0.53329%0.29SS..Hα-helixtrans-63.8-43.4177.9-162.6-164.9130.500112.2R12 A123 I124 M130 A131R12-E127 IonicContact CZ-OE1 3.42Å; R12-E127 IonicContact NH1-OE1 2.99Å; R12-E127 PolarHBondContact NH1-OE1 3.21Å; R12-E127 IonicContact NH1-OE2 3.38Å; R12-E127 PolarHBondContact NH1-OE2 3.16Å; R12-E127 IonicContact NH2-OE1 2.65Å; A123-E127 WeakPolarHBondContact O-CB 3.43Å; A123-E127 PolarHBondContact O-N 3.35Å; I124-E127 PolarHBondContact O-N 3.29Å; E127-M130 PolarHBondContact O-N 2.77Å; E127-A131 PolarHBondContact O-N 3.35Å
128E80.8Confident82.4Confident23 Ų2354.9 Ų54.911%0.10731%0.306CS..Hα-helixtrans-62.5-46.8174.1-174.6174.9-148.600110.8Y7 T9 S10 I124 M130 A131 W132Y7-E128 WeakPolarHBondContact CD1-OE2 3.37Å; T9-E128 PolarHBondContact OG1-OE1 2.79Å; T9-E128 VanDerWaalsContact OG1-OE1 3.12Å; S10-E128 PolarHBondContact OG-OE1 3.14Å; I124-E128 PolarHBondContact O-N 3.5Å; E128-M130 VanDerWaalsContact C-N 3.29Å; E128-M130 PolarHBondContact O-N 2.93Å; E128-A131 WeakPolarHBondContact O-CB 3.23Å; E128-A131 PolarHBondContact O-N 3.5Å; E128-A131 VanDerWaalsContact O-N 3.12Å; E128-W132 PolarHBondContact O-N 3.43Å
129S83.4Confident83.7Confident24 Ų2453 Ų5317%0.16830%0.299CS..Hα-helixtrans-58-43.1177-59.80000111.5V125 I126 A131 W132 L133V125-S129 VanDerWaalsContact O-CB 3.31Å; V125-S129 WeakPolarHBondContact O-CB 3.48Å; V125-S129 PolarHBondContact O-N 3.03Å; V125-S129 PolarHBondContact O-OG 3.42Å; I126-S129 PolarHBondContact O-N 3.36Å; S129-A131 PolarHBondContact O-N 3.11Å; S129-W132 PolarHBondContact O-N 2.84Å; S129-L133 WeakPolarHBondContact O-CB 3.11Å; S129-L133 VanDerWaalsContact O-CG 3.23Å; S129-L133 WeakPolarHBondContact O-CG 3.34Å; S129-L133 PolarHBondContact O-N 2.94Å
130M85.5Confident85Confident17 Ų1745.6 Ų45.68%0.08427%0.271CS..Hα-helixtrans-61.9-41.6175.7-82.3-68.5-159.200112.6I126 E127 E128 S134 Q161 L164 A165 L173I126-M130 HydrophobicContact CG2-CG 4.39Å; I126-M130 WeakPolarHBondContact O-CB 3.29Å; I126-M130 WeakPolarHBondContact O-CG 3.39Å; I126-M130 PolarHBondContact O-N 3.2Å; E127-M130 PolarHBondContact O-N 2.77Å; E128-M130 VanDerWaalsContact C-N 3.29Å; E128-M130 PolarHBondContact O-N 2.93Å; M130-S134 WeakPolarHBondContact O-CB 3.28Å; M130-S134 PolarHBondContact O-N 2.92Å; M130-Q161 HydrophobicContact CE-CB 4.39Å; M130-Q161 WeakPolarHBondContact CE-O 3.32Å; M130-Q161 HydrophobicContact SD-CB 3.99Å; M130-Q161 HydrophobicContact SD-CG 3.98Å; M130-L164 HydrophobicContact CE-CB 3.65Å; M130-L164 HydrophobicContact CG-CB 4.49Å; M130-L164 HydrophobicContact CG-CD1 4.35Å; M130-L164 HydrophobicContact SD-CB 4.33Å; M130-L164 HydrophobicContact SD-CD1 4.47Å; M130-A165 HydrophobicContact CE-CB 3.86Å; M130-L173 HydrophobicContact CE-CB 4.13Å; M130-L173 HydrophobicContact CE-CD1 4.2Å
131A86Confident86.1Confident47 Ų4746 Ų4639%0.38828%0.276SS..Hα-helixtrans-63.5-43177.300000112E127 E128 S129 S134 T135E127-A131 PolarHBondContact O-N 3.35Å; E128-A131 WeakPolarHBondContact O-CB 3.23Å; E128-A131 PolarHBondContact O-N 3.5Å; E128-A131 VanDerWaalsContact O-N 3.12Å; S129-A131 PolarHBondContact O-N 3.11Å; A131-S134 PolarHBondContact O-N 3.46Å; A131-T135 PolarHBondContact O-N 3.45Å; A131-T135 VanDerWaalsContact O-N 3.12Å; A131-T135 PolarHBondContact O-OG1 3.48Å
132W87.8Confident87.2Confident103 Ų10348.6 Ų48.639%0.3930%0.296SS..Hα-helixtrans-65.2-49.6176.8-79.355.3000111.6T9 E128 S129 S134 T135 L136 M263 L264T9-W132 HydrophobicContact CG2-CH2 4.26Å; T9-W132 HydrophobicContact CG2-CZ2 4.13Å; E128-W132 PolarHBondContact O-N 3.43Å; S129-W132 PolarHBondContact O-N 2.84Å; W132-S134 VanDerWaalsContact C-N 3.26Å; W132-S134 PolarHBondContact O-N 3.44Å; W132-T135 PolarHBondContact O-N 3.22Å; W132-L136 WeakPolarHBondContact O-CB 3.06Å; W132-L136 PolarHBondContact O-N 3.02Å; W132-M263 HydrophobicContact CZ3-CE 4.48Å; W132-L264 HydrophobicContact CE3-CD2 4.31Å
133L93.3Very high88.3Confident14 Ų1449.1 Ų49.17%0.07330%0.303CS..Hα-helixtrans-62.8-34.1177.9-68.9169.8000111.8S129 G137 V157 F160 Q161 L164S129-L133 WeakPolarHBondContact O-CB 3.11Å; S129-L133 VanDerWaalsContact O-CG 3.23Å; S129-L133 WeakPolarHBondContact O-CG 3.34Å; S129-L133 PolarHBondContact O-N 2.94Å; L133-G137 WeakPolarHBondContact O-CA 3.41Å; L133-G137 PolarHBondContact O-N 3.12Å; L133-V157 HydrophobicContact CB-CG1 3.98Å; L133-V157 HydrophobicContact CD2-CG1 3.96Å; L133-V157 WeakPolarHBondContact O-CG1 3.48Å; L133-F160 HydrophobicContact CD1-CB 3.98Å; L133-F160 HydrophobicContact CD2-CB 4.3Å; L133-Q161 HydrophobicContact CB-CG 3.58Å; L133-Q161 HydrophobicContact CD1-CG 3.93Å; L133-Q161 HydrophobicContact CG-CG 4.38Å; L133-L164 HydrophobicContact CD1-CD1 3.55Å
134S92Very high89.2Confident59 Ų5946.7 Ų46.741%0.41328%0.283SS..Hα-helixtrans-64.8-44.2176.1-174.10000111.6M130 A131 W132 G138M130-S134 WeakPolarHBondContact O-CB 3.28Å; M130-S134 PolarHBondContact O-N 2.92Å; A131-S134 PolarHBondContact O-N 3.46Å; W132-S134 VanDerWaalsContact C-N 3.26Å; W132-S134 PolarHBondContact O-N 3.44Å; S134-G138 PolarHBondContact O-N 2.92Å
135T93.8Very high90Very high112 Ų11249.6 Ų49.669%0.68730%0.299SS*.Hα-helixtrans-66.3-48.3177.9-54.20000111A131 W132 G138 G139A131-T135 PolarHBondContact O-N 3.45Å; A131-T135 VanDerWaalsContact O-N 3.12Å; A131-T135 PolarHBondContact O-OG1 3.48Å; W132-T135 PolarHBondContact O-N 3.22Å; T135-G138 PolarHBondContact O-N 3.33Å; T135-G139 PolarHBondContact O-N 2.95Å
136L93.9Very high90.7Very high57 Ų5756.1 Ų56.130%0.29833%0.326SS..Hα-helixtrans-62.8-44.7178.7-173.667.4000111.8W132 G139 Y140 V157 L264W132-L136 WeakPolarHBondContact O-CB 3.06Å; W132-L136 PolarHBondContact O-N 3.02Å; L136-G139 PolarHBondContact O-N 3.46Å; L136-Y140 HydrophobicContact CD1-CD2 4Å; L136-Y140 HydrophobicContact CD1-CE2 3.37Å; L136-Y140 HydrophobicContact CD2-CE2 3.92Å; L136-Y140 HydrophobicContact CG-CD2 3.76Å; L136-Y140 HydrophobicContact CG-CE2 3.44Å; L136-Y140 VanDerWaalsContact CG-CE2 3.44Å; L136-Y140 WeakPolarHBondContact O-CD2 3.2Å; L136-Y140 PolarHBondContact O-N 3.45Å; L136-V157 HydrophobicContact CD2-CG2 3.9Å; L136-V157 HydrophobicContact CG-CG2 4.25Å; L136-L264 HydrophobicContact CD2-CD1 4.23Å
137G95.2Very high91.4Very high9 Ų959.5 Ų59.59%0.09334%0.344CS..Hα-helixtrans-64.6-39.2178.100000112.1L133 S141L133-G137 WeakPolarHBondContact O-CA 3.41Å; L133-G137 PolarHBondContact O-N 3.12Å; G137-S141 WeakPolarHBondContact O-CB 3.39Å; G137-S141 PolarHBondContact O-N 2.99Å
138G94.3Very high92Very high37 Ų3759 Ų5938%0.38135%0.345SS..Hα-helixtrans-59.6-50171.600000112.1S134 T135 S141 S142S134-G138 PolarHBondContact O-N 2.92Å; T135-G138 PolarHBondContact O-N 3.33Å; G138-S141 PolarHBondContact O-N 3.35Å; G138-S142 PolarHBondContact O-N 2.9Å; G138-S142 PolarHBondContact O-OG 3.03Å
139G97.2Very high92.5Very high39 Ų3961.8 Ų61.840%0.40236%0.355SS..Hα-helixtrans-59-49.9178.200000113.1T135 L136 S141 S142 L143T135-G139 PolarHBondContact O-N 2.95Å; L136-G139 PolarHBondContact O-N 3.46Å; G139-S141 PolarHBondContact O-N 3.48Å; G139-S142 PolarHBondContact O-N 3.12Å; G139-L143 PolarHBondContact O-N 3.41Å
140Y97.3Very high93.1Very high27 Ų2761 Ų6111%0.10635%0.349CS..Hα-helixtrans-66.3-36.3177-72.7-46.6000113.1L136 L143 G144 L153 V157L136-Y140 HydrophobicContact CD1-CD2 4Å; L136-Y140 HydrophobicContact CD1-CE2 3.37Å; L136-Y140 HydrophobicContact CD2-CE2 3.92Å; L136-Y140 HydrophobicContact CG-CD2 3.76Å; L136-Y140 HydrophobicContact CG-CE2 3.44Å; L136-Y140 VanDerWaalsContact CG-CE2 3.44Å; L136-Y140 WeakPolarHBondContact O-CD2 3.2Å; L136-Y140 PolarHBondContact O-N 3.45Å; Y140-L143 PolarHBondContact O-N 3.47Å; Y140-G144 PolarHBondContact O-N 3.36Å; Y140-L153 HydrophobicContact CD1-CB 4.2Å; Y140-L153 HydrophobicContact CD1-CD1 4.03Å; Y140-L153 HydrophobicContact CD2-CB 3.87Å; Y140-L153 HydrophobicContact CE1-CB 4.45Å; Y140-L153 HydrophobicContact CE1-CD1 3.59Å; Y140-L153 HydrophobicContact CE2-CB 4.1Å; Y140-L153 HydrophobicContact CE2-CD1 4.14Å; Y140-L153 HydrophobicContact CG-CB 3.94Å; Y140-V157 HydrophobicContact CD2-CG2 4.27Å
141S96.4Very high93.6Very high34 Ų3460.1 Ų60.124%0.23835%0.345CS..Hα-helixtrans-63.5-43176.6-178.40000111.1G137 G138 G139 L143 G144 Q187G137-S141 WeakPolarHBondContact O-CB 3.39Å; G137-S141 PolarHBondContact O-N 2.99Å; G138-S141 PolarHBondContact O-N 3.35Å; G139-S141 PolarHBondContact O-N 3.48Å; S141-L143 VanDerWaalsContact C-N 3.35Å; S141-L143 PolarHBondContact O-N 2.99Å; S141-G144 PolarHBondContact O-N 3.27Å; S141-G144 VanDerWaalsContact O-N 3.11Å; S141-Q187 PolarHBondContact O-NE2 3.03Å; S141-Q187 PolarHBondContact OG-NE2 3.5Å
142S95.9Very high94.1Very high89 Ų8960 Ų6062%0.62234%0.341SS*.Hα-helixtrans-61-42175.6-67.20000112.5G138 G139 G144G138-S142 PolarHBondContact O-N 2.9Å; G138-S142 PolarHBondContact O-OG 3.03Å; G139-S142 PolarHBondContact O-N 3.12Å; S142-G144 VanDerWaalsContact C-N 3.28Å; S142-G144 PolarHBondContact O-N 3.11Å
143L95.6Very high94.5Very high108 Ų10856.1 Ų56.157%0.56533%0.328SS*.Hα-helixtrans-70.4-26.5175-67.4172.2000112.6G139 Y140 S141 D145 H146 N147 A150G139-L143 PolarHBondContact O-N 3.41Å; Y140-L143 PolarHBondContact O-N 3.47Å; S141-L143 VanDerWaalsContact C-N 3.35Å; S141-L143 PolarHBondContact O-N 2.99Å; L143-D145 PolarHBondContact O-N 3.5Å; L143-D145 VanDerWaalsContact O-N 3.17Å; L143-H146 PolarHBondContact O-N 3.42Å; L143-H146 VanDerWaalsContact O-N 3.13Å; L143-N147 PolarHBondContact O-N 3.43Å; L143-N147 VanDerWaalsContact O-N 3.08Å; L143-A150 HydrophobicContact CB-CB 3.62Å
144G94.8Very high94.7Very high1 Ų155.6 Ų55.61%0.0133%0.326CS..THydrogen-bonded Turntrans-63.5-17.4-177.700000115Y140 S141 S142 H146 N147Y140-G144 PolarHBondContact O-N 3.36Å; S141-G144 PolarHBondContact O-N 3.27Å; S141-G144 VanDerWaalsContact O-N 3.11Å; S142-G144 VanDerWaalsContact C-N 3.28Å; S142-G144 PolarHBondContact O-N 3.11Å; G144-H146 PolarHBondContact O-N 3.44Å; G144-N147 WeakPolarHBondContact CA-O 3.38Å
145D91Very high94.9Very high71 Ų7152.9 Ų52.938%0.3831%0.307SS..THydrogen-bonded Turntrans-69.9-21.1175.5-75.43.3000112.7L143 Q187 R229L143-D145 PolarHBondContact O-N 3.5Å; L143-D145 VanDerWaalsContact O-N 3.17Å; D145-Q187 WeakPolarHBondContact OD1-CG 3.3Å; D145-Q187 PolarHBondContact OD1-NE2 3.46Å; D145-R229 IonicContact OD1-CZ 3.48Å; D145-R229 IonicContact OD1-NH1 2.86Å; D145-R229 PolarHBondContact OD1-NH1 3.13Å; D145-R229 IonicContact OD1-NH2 3.17Å; D145-R229 PolarHBondContact OD1-NH2 2.72Å; D145-R229 IonicContact OD2-CZ 2.89Å; D145-R229 IonicContact OD2-NH1 3.95Å; D145-R229 PolarHBondContact OD2-NH1 2.74Å; D145-R229 IonicContact OD2-NH2 3.81Å; D145-R229 PolarHBondContact OD2-NH2 3.2Å; D145-R229 VanDerWaalsContact OD2-NH2 3.17Å
146H92.6Very high95.1Very high182 Ų18250.3 Ų50.384%0.84329%0.291SS*.THydrogen-bonded Turntrans-123.7-6.9-178.9-55.2-53.1000113.5L143 G144L143-H146 PolarHBondContact O-N 3.42Å; L143-H146 VanDerWaalsContact O-N 3.13Å; G144-H146 PolarHBondContact O-N 3.44Å
147N92.2Very high95.2Very high82 Ų8248 Ų4844%0.43928%0.28SS..  trans-141.5112.7-175.8-175.3-50.8000111.2L143 G144 Y149 A150 A151L143-N147 PolarHBondContact O-N 3.43Å; L143-N147 VanDerWaalsContact O-N 3.08Å; G144-N147 WeakPolarHBondContact CA-O 3.38Å; N147-Y149 VanDerWaalsContact C-N 3.27Å; N147-Y149 PolarHBondContact O-N 3.2Å; N147-Y149 WeakPolarHBondContact OD1-CA 3.11Å; N147-Y149 VanDerWaalsContact OD1-CB 3.27Å; N147-Y149 WeakPolarHBondContact OD1-CB 3.4Å; N147-Y149 PolarHBondContact OD1-N 3.42Å; N147-A150 HydrophobicContact CB-CB 4.07Å; N147-A150 PolarHBondContact O-N 2.94Å; N147-A150 PolarHBondContact OD1-N 3.33Å; N147-A151 PolarHBondContact O-N 3.35Å
148D92.5Very high95.2Very high103 Ų10347.7 Ų47.755%0.55128%0.276SS*.Hα-helixtrans-60.8-32.4-178.8-80-23.6000113.5A151 S152D148-A151 PolarHBondContact O-N 3.32Å; D148-S152 WeakPolarHBondContact O-CB 3.38Å; D148-S152 PolarHBondContact O-N 3.38Å
149Y91.5Very high95.3Very high83 Ų8350 Ų5033%0.32528%0.279SS..Hα-helixtrans-69.4-44.2177.2176.1-101000111.4N147 A151 S152 L153 L254N147-Y149 VanDerWaalsContact C-N 3.27Å; N147-Y149 PolarHBondContact O-N 3.2Å; N147-Y149 WeakPolarHBondContact OD1-CA 3.11Å; N147-Y149 VanDerWaalsContact OD1-CB 3.27Å; N147-Y149 WeakPolarHBondContact OD1-CB 3.4Å; N147-Y149 PolarHBondContact OD1-N 3.42Å; Y149-A151 VanDerWaalsContact C-N 3.31Å; Y149-A151 PolarHBondContact O-N 3.32Å; Y149-S152 WeakPolarHBondContact O-CA 3.41Å; Y149-S152 WeakPolarHBondContact O-CB 3.48Å; Y149-S152 PolarHBondContact O-N 3.13Å; Y149-L153 HydrophobicContact CD1-CD1 3.98Å; Y149-L153 HydrophobicContact CD1-CG 4.36Å; Y149-L153 HydrophobicContact CE1-CD1 3.35Å; Y149-L153 HydrophobicContact CE1-CG 3.93Å; Y149-L153 HydrophobicContact CE2-CG 4.46Å; Y149-L153 PolarHBondContact O-N 2.99Å; Y149-L254 HydrophobicContact CD1-CD2 3.83Å; Y149-L254 HydrophobicContact CD2-CD2 4.09Å; Y149-L254 HydrophobicContact CE1-CD2 3.64Å; Y149-L254 HydrophobicContact CE2-CB 4.25Å; Y149-L254 HydrophobicContact CE2-CD2 3.92Å; Y149-L254 HydrophobicContact CG-CD2 4.04Å; Y149-L254 PolarHBondContact OH-O 3.13Å
150A95.9Very high95.3Very high6 Ų651.5 Ų51.55%0.0528%0.275CS..Hα-helixtrans-61-42174.300000111.2L143 N147 S152 L153 A154L143-A150 HydrophobicContact CB-CB 3.62Å; N147-A150 HydrophobicContact CB-CB 4.07Å; N147-A150 PolarHBondContact O-N 2.94Å; N147-A150 PolarHBondContact OD1-N 3.33Å; A150-S152 VanDerWaalsContact C-N 3.3Å; A150-S152 PolarHBondContact O-N 2.89Å; A150-L153 PolarHBondContact O-N 3.43Å; A150-A154 PolarHBondContact O-N 3.04Å
151A96.3Very high95.1Very high0 Ų050.3 Ų50.30%027%0.27CS..Hα-helixtrans-60.9-38.9172.400000112.1N147 D148 Y149 A154 G155 S184 Q187 R188N147-A151 PolarHBondContact O-N 3.35Å; D148-A151 PolarHBondContact O-N 3.32Å; Y149-A151 VanDerWaalsContact C-N 3.31Å; Y149-A151 PolarHBondContact O-N 3.32Å; A151-A154 PolarHBondContact O-N 3.38Å; A151-G155 PolarHBondContact O-N 3.18Å; A151-S184 WeakPolarHBondContact O-CB 3.42Å; A151-Q187 HydrophobicContact CB-CB 3.63Å; A151-R188 HydrophobicContact CB-CG 3.65Å
152S96.2Very high95.1Very high43 Ų4350 Ų5030%0.30127%0.265SS..Hα-helixtrans-63.4-45175-165.20000112.1D148 Y149 A150 A154 G155 T156 R188D148-S152 WeakPolarHBondContact O-CB 3.38Å; D148-S152 PolarHBondContact O-N 3.38Å; Y149-S152 WeakPolarHBondContact O-CA 3.41Å; Y149-S152 WeakPolarHBondContact O-CB 3.48Å; Y149-S152 PolarHBondContact O-N 3.13Å; A150-S152 VanDerWaalsContact C-N 3.3Å; A150-S152 PolarHBondContact O-N 2.89Å; S152-A154 PolarHBondContact O-N 3.05Å; S152-G155 WeakPolarHBondContact O-CA 3.29Å; S152-G155 PolarHBondContact O-N 3.49Å; S152-G155 VanDerWaalsContact O-N 3.11Å; S152-T156 PolarHBondContact O-N 3.44Å; S152-T156 PolarHBondContact O-OG1 3.49Å; S152-R188 PolarHBondContact OG-NH1 3.43Å
153L96.9Very high94.9Very high23 Ų2348.6 Ų48.612%0.1226%0.256CS..Hα-helixtrans-61.7-42175.2-72.1-179.4000112Y140 Y149 A150 G155 T156 V157Y140-L153 HydrophobicContact CD1-CB 4.2Å; Y140-L153 HydrophobicContact CD1-CD1 4.03Å; Y140-L153 HydrophobicContact CD2-CB 3.87Å; Y140-L153 HydrophobicContact CE1-CB 4.45Å; Y140-L153 HydrophobicContact CE1-CD1 3.59Å; Y140-L153 HydrophobicContact CE2-CB 4.1Å; Y140-L153 HydrophobicContact CE2-CD1 4.14Å; Y140-L153 HydrophobicContact CG-CB 3.94Å; Y149-L153 HydrophobicContact CD1-CD1 3.98Å; Y149-L153 HydrophobicContact CD1-CG 4.36Å; Y149-L153 HydrophobicContact CE1-CD1 3.35Å; Y149-L153 HydrophobicContact CE1-CG 3.93Å; Y149-L153 HydrophobicContact CE2-CG 4.46Å; Y149-L153 PolarHBondContact O-N 2.99Å; A150-L153 PolarHBondContact O-N 3.43Å; L153-G155 PolarHBondContact O-N 3.27Å; L153-T156 PolarHBondContact O-N 3.26Å; L153-T156 VanDerWaalsContact O-N 3.14Å; L153-V157 WeakPolarHBondContact O-CG2 3.37Å; L153-V157 PolarHBondContact O-N 2.84Å
154A96.8Very high94.6Very high3 Ų344.3 Ų44.33%0.02523%0.233CC..Hα-helixtrans-58.4-38.8173.200000111.6A150 A151 S152 V157 S158A150-A154 PolarHBondContact O-N 3.04Å; A151-A154 PolarHBondContact O-N 3.38Å; S152-A154 PolarHBondContact O-N 3.05Å; A154-V157 PolarHBondContact O-N 2.74Å; A154-S158 WeakPolarHBondContact O-CB 2.88Å; A154-S158 PolarHBondContact O-N 3.19Å; A154-S158 PolarHBondContact O-OG 2.98Å
155G97.3Very high94.4Very high2 Ų244.2 Ų44.22%0.02123%0.233CC..Hα-helixtrans-62-47.2172.700000112.8A151 S152 L153 V157 S158 L159 S184A151-G155 PolarHBondContact O-N 3.18Å; S152-G155 WeakPolarHBondContact O-CA 3.29Å; S152-G155 PolarHBondContact O-N 3.49Å; S152-G155 VanDerWaalsContact O-N 3.11Å; L153-G155 PolarHBondContact O-N 3.27Å; G155-V157 PolarHBondContact O-N 2.99Å; G155-S158 WeakPolarHBondContact O-CB 3.18Å; G155-S158 PolarHBondContact O-N 2.9Å; G155-L159 WeakPolarHBondContact O-CG 3.31Å; G155-L159 PolarHBondContact O-N 2.85Å; G155-S184 VanDerWaalsContact CA-CB 3.46Å; G155-S184 VanDerWaalsContact CA-OG 3.27Å; G155-S184 WeakPolarHBondContact CA-OG 3.17Å
156T97.1Very high94.4Very high57 Ų5745.7 Ų45.735%0.3524%0.24SC..Hα-helixtrans-60.5-44.9176.2-58.70000111.8S152 L153 S158 L159 F160S152-T156 PolarHBondContact O-N 3.44Å; S152-T156 PolarHBondContact O-OG1 3.49Å; L153-T156 PolarHBondContact O-N 3.26Å; L153-T156 VanDerWaalsContact O-N 3.14Å; T156-S158 VanDerWaalsContact C-N 3.3Å; T156-S158 PolarHBondContact O-N 3.36Å; T156-L159 WeakPolarHBondContact O-CB 3.4Å; T156-L159 PolarHBondContact O-N 3.46Å; T156-L159 VanDerWaalsContact O-N 3.14Å; T156-F160 HydrophobicContact CG2-CD2 4.12Å; T156-F160 HydrophobicContact CG2-CE2 3.61Å; T156-F160 HydrophobicContact CG2-CZ 4.36Å; T156-F160 WeakPolarHBondContact O-CD2 3.18Å; T156-F160 PolarHBondContact O-N 3.03Å; T156-F160 VanDerWaalsContact O-N 3.11Å
157V95.4Very high94Very high9 Ų941.9 Ų41.96%0.05522%0.223CC..Hα-helixtrans-59.7-42.7174.9170.60000111.1L133 L136 Y140 L153 A154 G155 L159 F160 Q161L133-V157 HydrophobicContact CB-CG1 3.98Å; L133-V157 HydrophobicContact CD2-CG1 3.96Å; L133-V157 WeakPolarHBondContact O-CG1 3.48Å; L136-V157 HydrophobicContact CD2-CG2 3.9Å; L136-V157 HydrophobicContact CG-CG2 4.25Å; Y140-V157 HydrophobicContact CD2-CG2 4.27Å; L153-V157 WeakPolarHBondContact O-CG2 3.37Å; L153-V157 PolarHBondContact O-N 2.84Å; A154-V157 PolarHBondContact O-N 2.74Å; G155-V157 PolarHBondContact O-N 2.99Å; V157-L159 VanDerWaalsContact C-N 3.28Å; V157-L159 PolarHBondContact O-N 3.36Å; V157-F160 PolarHBondContact O-N 2.94Å; V157-Q161 WeakPolarHBondContact O-CG 3.31Å; V157-Q161 PolarHBondContact O-N 2.91Å
158S97Very high93.7Very high3 Ų341 Ų412%0.02122%0.217CC..Hα-helixtrans-62.3-34.8176.9-56.60000112.4A154 G155 T156 Q161 M162 W180 F181A154-S158 WeakPolarHBondContact O-CB 2.88Å; A154-S158 PolarHBondContact O-N 3.19Å; A154-S158 PolarHBondContact O-OG 2.98Å; G155-S158 WeakPolarHBondContact O-CB 3.18Å; G155-S158 PolarHBondContact O-N 2.9Å; T156-S158 VanDerWaalsContact C-N 3.3Å; T156-S158 PolarHBondContact O-N 3.36Å; S158-Q161 PolarHBondContact O-N 2.94Å; S158-M162 WeakPolarHBondContact O-CG 3.36Å; S158-M162 PolarHBondContact O-N 2.99Å; S158-W180 VanDerWaalsContact OG-CB 3.31Å; S158-W180 WeakPolarHBondContact OG-CB 3.38Å; S158-F181 PolarHBondContact OG-N 3.05Å
159L96.2Very high93.3Very high85 Ų8542.6 Ų42.645%0.44523%0.226SC..Hα-helixtrans-68.3-39.9175-68.8172.5000112.1G155 T156 V157 Q161 M162 S163 F181G155-L159 WeakPolarHBondContact O-CG 3.31Å; G155-L159 PolarHBondContact O-N 2.85Å; T156-L159 WeakPolarHBondContact O-CB 3.4Å; T156-L159 PolarHBondContact O-N 3.46Å; T156-L159 VanDerWaalsContact O-N 3.14Å; V157-L159 VanDerWaalsContact C-N 3.28Å; V157-L159 PolarHBondContact O-N 3.36Å; L159-Q161 VanDerWaalsContact C-N 3.31Å; L159-Q161 PolarHBondContact O-N 3.02Å; L159-M162 HydrophobicContact CD2-CE 3.84Å; L159-M162 HydrophobicContact CD2-SD 4.21Å; L159-M162 WeakPolarHBondContact O-CB 3.4Å; L159-M162 PolarHBondContact O-N 3.49Å; L159-S163 PolarHBondContact O-N 3.03Å; L159-F181 HydrophobicContact CD1-CD2 4.49Å; L159-F181 HydrophobicContact CD1-CE2 3.94Å; L159-F181 HydrophobicContact CD2-CD2 3.99Å; L159-F181 HydrophobicContact CD2-CE2 3.89Å; L159-F181 HydrophobicContact CD2-CG 4.46Å; L159-F181 HydrophobicContact CD2-CZ 4.29Å; L159-F181 HydrophobicContact CG-CD2 3.92Å; L159-F181 HydrophobicContact CG-CE2 3.84Å
160F95.5Very high93.1Very high70 Ų7039.8 Ų39.831%0.30722%0.218SC..Hα-helixtrans-63.6-37.8171.8-70.1-55.2000112L133 T156 V157 M162 S163 L164 I265L133-F160 HydrophobicContact CD1-CB 3.98Å; L133-F160 HydrophobicContact CD2-CB 4.3Å; T156-F160 HydrophobicContact CG2-CD2 4.12Å; T156-F160 HydrophobicContact CG2-CE2 3.61Å; T156-F160 HydrophobicContact CG2-CZ 4.36Å; T156-F160 WeakPolarHBondContact O-CD2 3.18Å; T156-F160 PolarHBondContact O-N 3.03Å; T156-F160 VanDerWaalsContact O-N 3.11Å; V157-F160 PolarHBondContact O-N 2.94Å; F160-M162 VanDerWaalsContact C-N 3.33Å; F160-S163 PolarHBondContact O-N 3.42Å; F160-S163 PolarHBondContact O-OG 2.98Å; F160-L164 WeakPolarHBondContact O-CG 3.41Å; F160-L164 PolarHBondContact O-N 3.38Å; F160-I265 HydrophobicContact CZ-CD1 4.44Å; F160-I265 HydrophobicContact CZ-CG1 4.36Å
161Q94.8Very high92.7Very high3 Ų342.9 Ų42.91%0.01424%0.238CC..Hα-helixtrans-65-38.2173-67.5173.8-55.200111.5M130 L133 V157 S158 L159 L164 A165 W180M130-Q161 HydrophobicContact CE-CB 4.39Å; M130-Q161 WeakPolarHBondContact CE-O 3.32Å; M130-Q161 HydrophobicContact SD-CB 3.99Å; M130-Q161 HydrophobicContact SD-CG 3.98Å; L133-Q161 HydrophobicContact CB-CG 3.58Å; L133-Q161 HydrophobicContact CD1-CG 3.93Å; L133-Q161 HydrophobicContact CG-CG 4.38Å; V157-Q161 WeakPolarHBondContact O-CG 3.31Å; V157-Q161 PolarHBondContact O-N 2.91Å; S158-Q161 PolarHBondContact O-N 2.94Å; L159-Q161 VanDerWaalsContact C-N 3.31Å; L159-Q161 PolarHBondContact O-N 3.02Å; Q161-L164 PolarHBondContact O-N 3.11Å; Q161-A165 VanDerWaalsContact O-CB 3.28Å; Q161-A165 WeakPolarHBondContact O-CB 3.3Å; Q161-A165 PolarHBondContact O-N 3.43Å; Q161-W180 VanDerWaalsContact NE2-CZ3 3.32Å
162M95.1Very high92.4Very high26 Ų2644.8 Ų44.813%0.12825%0.248CC..Hα-helixtrans-62.3-45174.1-74.8-178.2-126.300112.2S158 L159 F160 L164 A165 L166 L174 S177 Q178 F181S158-M162 WeakPolarHBondContact O-CG 3.36Å; S158-M162 PolarHBondContact O-N 2.99Å; L159-M162 HydrophobicContact CD2-CE 3.84Å; L159-M162 HydrophobicContact CD2-SD 4.21Å; L159-M162 WeakPolarHBondContact O-CB 3.4Å; L159-M162 PolarHBondContact O-N 3.49Å; F160-M162 VanDerWaalsContact C-N 3.33Å; M162-L164 VanDerWaalsContact C-N 3.34Å; M162-L164 PolarHBondContact O-N 3.14Å; M162-A165 PolarHBondContact O-N 3.2Å; M162-L166 WeakPolarHBondContact O-CG 3.4Å; M162-L166 PolarHBondContact O-N 3.42Å; M162-L174 HydrophobicContact CB-CD1 4.42Å; M162-L174 HydrophobicContact CG-CD1 4.39Å; M162-S177 WeakPolarHBondContact CA-OG 3.36Å; M162-S177 WeakPolarHBondContact CE-O 3.38Å; M162-S177 WeakPolarHBondContact CG-OG 3.2Å; M162-Q178 HydrophobicContact CE-CG 4.35Å; M162-Q178 HydrophobicContact CG-CG 4.19Å; M162-Q178 HydrophobicContact SD-CG 3.68Å; M162-F181 HydrophobicContact CE-CB 3.15Å; M162-F181 HydrophobicContact CE-CD1 4.09Å; M162-F181 HydrophobicContact CE-CD2 4.2Å; M162-F181 HydrophobicContact CE-CG 3.58Å
163S92.1Very high92.1Very high61 Ų6145 Ų4543%0.42725%0.245SC..Hα-helixtrans-62.5-43.3179.262.60000111.3L159 F160 A165 L166 E167L159-S163 PolarHBondContact O-N 3.03Å; F160-S163 PolarHBondContact O-N 3.42Å; F160-S163 PolarHBondContact O-OG 2.98Å; S163-A165 VanDerWaalsContact C-N 3.34Å; S163-A165 PolarHBondContact O-N 3.46Å; S163-L166 PolarHBondContact O-N 3.45Å; S163-E167 PolarHBondContact O-N 3.49Å
164L89Confident91.8Very high17 Ų1746 Ų469%0.08925%0.25CS..Hα-helixtrans-64.7-37.6174.6-71.8177.8000112.3I126 M130 L133 F160 Q161 M162 L166 E167 I168I126-L164 HydrophobicContact CG1-CD2 4.18Å; I126-L164 HydrophobicContact CG2-CB 4.16Å; I126-L164 HydrophobicContact CG2-CD2 4.21Å; M130-L164 HydrophobicContact CE-CB 3.65Å; M130-L164 HydrophobicContact CG-CB 4.49Å; M130-L164 HydrophobicContact CG-CD1 4.35Å; M130-L164 HydrophobicContact SD-CB 4.33Å; M130-L164 HydrophobicContact SD-CD1 4.47Å; L133-L164 HydrophobicContact CD1-CD1 3.55Å; F160-L164 WeakPolarHBondContact O-CG 3.41Å; F160-L164 PolarHBondContact O-N 3.38Å; Q161-L164 PolarHBondContact O-N 3.11Å; M162-L164 VanDerWaalsContact C-N 3.34Å; M162-L164 PolarHBondContact O-N 3.14Å; L164-L166 VanDerWaalsContact C-N 3.35Å; L164-E167 WeakPolarHBondContact O-CB 3.15Å; L164-E167 PolarHBondContact O-N 3.36Å; L164-I168 WeakPolarHBondContact O-CG1 3.45Å; L164-I168 PolarHBondContact O-N 2.97Å
165A91.1Very high91.6Very high0 Ų046 Ų460%025%0.251CS..Hα-helixtrans-65.6-37.5177.800000112.5M130 Q161 M162 S163 I168 N169 S170 L173 L174M130-A165 HydrophobicContact CE-CB 3.86Å; Q161-A165 VanDerWaalsContact O-CB 3.28Å; Q161-A165 WeakPolarHBondContact O-CB 3.3Å; Q161-A165 PolarHBondContact O-N 3.43Å; M162-A165 PolarHBondContact O-N 3.2Å; S163-A165 VanDerWaalsContact C-N 3.34Å; S163-A165 PolarHBondContact O-N 3.46Å; A165-I168 WeakPolarHBondContact O-CG1 3.42Å; A165-N169 PolarHBondContact O-N 3.3Å; A165-N169 VanDerWaalsContact O-N 3.13Å; A165-S170 PolarHBondContact O-N 3.13Å; A165-L173 HydrophobicContact CB-CB 3.78Å; A165-L174 HydrophobicContact CB-CB 4.1Å
166L90.5Very high91.5Very high101 Ų10147.8 Ų47.853%0.52926%0.258SS..Hα-helixtrans-65.4-41.8172.4-70.7168.8000111M162 S163 L164 I168 N169 L174M162-L166 WeakPolarHBondContact O-CG 3.4Å; M162-L166 PolarHBondContact O-N 3.42Å; S163-L166 PolarHBondContact O-N 3.45Å; L164-L166 VanDerWaalsContact C-N 3.35Å; L166-I168 VanDerWaalsContact C-N 3.3Å; L166-I168 PolarHBondContact O-N 3.3Å; L166-N169 PolarHBondContact O-N 3.06Å; L166-N169 PolarHBondContact O-OD1 3.22Å; L166-L174 HydrophobicContact CD2-CD1 4.07Å; L166-L174 HydrophobicContact CD2-CD2 3.86Å; L166-L174 HydrophobicContact CG-CD1 4.06Å
167E85.1Confident91.4Very high103 Ų10345.1 Ų45.148%0.48124%0.241SC..Hα-helixtrans-60-37.7179.9-168.862.6-160.700113K122 I126 S163 L164K122-E167 WeakPolarHBondContact CE-OE1 3.29Å; K122-E167 IonicContact NZ-OE1 2.79Å; K122-E167 PolarHBondContact NZ-OE1 2.9Å; I126-E167 HydrophobicContact CD1-CB 4.29Å; I126-E167 HydrophobicContact CD1-CG 3.77Å; S163-E167 PolarHBondContact O-N 3.49Å; L164-E167 WeakPolarHBondContact O-CB 3.15Å; L164-E167 PolarHBondContact O-N 3.36Å
168I84.6Confident91.5Very high63 Ų6346.8 Ų46.832%0.32325%0.249SC..THydrogen-bonded Turntrans-91.42.6175.262-179.8000113.5I126 L164 A165 L166 S170 L173I126-I168 HydrophobicContact CB-CG2 4.01Å; I126-I168 HydrophobicContact CD1-CG2 3.46Å; I126-I168 VanDerWaalsContact CD1-CG2 3.46Å; I126-I168 HydrophobicContact CG1-CG2 4.3Å; I126-I168 HydrophobicContact CG2-CD1 4.27Å; I126-I168 HydrophobicContact CG2-CG2 3.52Å; L164-I168 WeakPolarHBondContact O-CG1 3.45Å; L164-I168 PolarHBondContact O-N 2.97Å; A165-I168 WeakPolarHBondContact O-CG1 3.42Å; L166-I168 VanDerWaalsContact C-N 3.3Å; L166-I168 PolarHBondContact O-N 3.3Å; I168-S170 PolarHBondContact O-N 3.49Å; I168-L173 HydrophobicContact CD1-CD1 3.47Å; I168-L173 VanDerWaalsContact CD1-CD1 3.47Å
169N85.4Confident91.5Very high136 Ų13646.7 Ų46.773%0.72725%0.248SC*.THydrogen-bonded Turntrans49.941.6-175.1-64.6-68000113.3A165 L166 P171A165-N169 PolarHBondContact O-N 3.3Å; A165-N169 VanDerWaalsContact O-N 3.13Å; L166-N169 PolarHBondContact O-N 3.06Å; L166-N169 PolarHBondContact O-OD1 3.22Å; N169-P171 WeakPolarHBondContact O-CD 3.39Å
170S87.3Confident91.6Very high25 Ų2546.3 Ų46.318%0.17524%0.24CC..  trans-93.7106.8179.7-1800000110.9A165 I168 I172 L173 L174A165-S170 PolarHBondContact O-N 3.13Å; I168-S170 PolarHBondContact O-N 3.49Å; S170-I172 VanDerWaalsContact C-N 3.25Å; S170-I172 PolarHBondContact O-N 3.1Å; S170-L173 PolarHBondContact O-N 2.98Å; S170-L173 PolarHBondContact OG-N 2.93Å; S170-L174 VanDerWaalsContact O-CB 3.29Å; S170-L174 WeakPolarHBondContact O-CB 3.39Å; S170-L174 PolarHBondContact O-N 3.38Å
171P87.2Confident91.7Very high71 Ų7145 Ų4546%0.46124%0.235SC..Hα-helixtrans-64.9-32177.626.1-34.3000112N169 A175N169-P171 WeakPolarHBondContact O-CD 3.39Å; P171-A175 WeakPolarHBondContact O-CB 3.32Å; P171-A175 PolarHBondContact O-N 3.15Å
172I88.7Confident91.8Very high40 Ų4044.9 Ų44.921%0.20523%0.234CC..Hα-helixtrans-65-51.2178.3-64.5171.3000110.4S170 L174 A175 K176 W205 I219S170-I172 VanDerWaalsContact C-N 3.25Å; S170-I172 PolarHBondContact O-N 3.1Å; I172-L174 VanDerWaalsContact C-N 3.31Å; I172-A175 PolarHBondContact O-N 3.12Å; I172-K176 HydrophobicContact CG2-CD 4.39Å; I172-K176 WeakPolarHBondContact O-CG 3.35Å; I172-K176 PolarHBondContact O-N 2.97Å; I172-W205 HydrophobicContact CG1-CH2 3.83Å; I172-W205 HydrophobicContact CG1-CZ3 4.28Å; I172-I219 HydrophobicContact CB-CD1 4.27Å; I172-I219 HydrophobicContact CG2-CD1 3.77Å
173L90.1Very high92Very high48 Ų4844.4 Ų44.425%0.25123%0.231SC..Hα-helixtrans-70.7-32.1-178.9-68.9169000111.4M130 A165 I168 S170 S177M130-L173 HydrophobicContact CE-CB 4.13Å; M130-L173 HydrophobicContact CE-CD1 4.2Å; A165-L173 HydrophobicContact CB-CB 3.78Å; I168-L173 HydrophobicContact CD1-CD1 3.47Å; I168-L173 VanDerWaalsContact CD1-CD1 3.47Å; S170-L173 PolarHBondContact O-N 2.98Å; S170-L173 PolarHBondContact OG-N 2.93Å; L173-S177 WeakPolarHBondContact O-CB 3.37Å; L173-S177 PolarHBondContact O-N 2.84Å; L173-S177 PolarHBondContact O-OG 3.38Å
174L92.4Very high92.3Very high42 Ų4241.5 Ų41.522%0.2221%0.211CC..Hα-helixtrans-63.6-47.8173.6-176.160.6000111M162 A165 L166 S170 I172 K176 S177 Q178M162-L174 HydrophobicContact CB-CD1 4.42Å; M162-L174 HydrophobicContact CG-CD1 4.39Å; A165-L174 HydrophobicContact CB-CB 4.1Å; L166-L174 HydrophobicContact CD2-CD1 4.07Å; L166-L174 HydrophobicContact CD2-CD2 3.86Å; L166-L174 HydrophobicContact CG-CD1 4.06Å; S170-L174 VanDerWaalsContact O-CB 3.29Å; S170-L174 WeakPolarHBondContact O-CB 3.39Å; S170-L174 PolarHBondContact O-N 3.38Å; I172-L174 VanDerWaalsContact C-N 3.31Å; L174-K176 PolarHBondContact O-N 2.86Å; L174-S177 PolarHBondContact O-N 2.74Å; L174-S177 PolarHBondContact O-OG 2.97Å; L174-Q178 HydrophobicContact CD1-CG 4.43Å; L174-Q178 WeakPolarHBondContact O-CB 3.46Å; L174-Q178 WeakPolarHBondContact O-CG 3.28Å; L174-Q178 PolarHBondContact O-N 3.48Å
175A92.4Very high92.7Very high4 Ų441.4 Ų41.43%0.03321%0.211CC..Hα-helixtrans-61.1-46.7176.800000111.8P171 I172 S177 Q178 L179 I201 W205 I219P171-A175 WeakPolarHBondContact O-CB 3.32Å; P171-A175 PolarHBondContact O-N 3.15Å; I172-A175 PolarHBondContact O-N 3.12Å; A175-S177 PolarHBondContact O-N 2.92Å; A175-Q178 PolarHBondContact O-N 3.19Å; A175-L179 WeakPolarHBondContact O-CG 2.88Å; A175-L179 PolarHBondContact O-N 3.18Å; A175-I201 HydrophobicContact CB-CG2 4.34Å; A175-W205 HydrophobicContact CB-CD2 4.2Å; A175-W205 HydrophobicContact CB-CE3 3.76Å; A175-W205 HydrophobicContact CB-CZ3 4.3Å; A175-I219 HydrophobicContact CB-CD1 4.12Å; A175-I219 HydrophobicContact CB-CG2 4.12Å
176K94.2Very high92.9Very high40 Ų4041.6 Ų41.617%0.17421%0.212CC..Hα-helixtrans-59.1-48.4178-74.6178.4178.4175.60112.6I172 L174 Q178 L179 W180 I219 M222I172-K176 HydrophobicContact CG2-CD 4.39Å; I172-K176 WeakPolarHBondContact O-CG 3.35Å; I172-K176 PolarHBondContact O-N 2.97Å; L174-K176 PolarHBondContact O-N 2.86Å; K176-Q178 VanDerWaalsContact C-N 3.33Å; K176-Q178 PolarHBondContact O-N 3.35Å; K176-L179 WeakPolarHBondContact O-CB 3.34Å; K176-L179 PolarHBondContact O-N 3.37Å; K176-L179 VanDerWaalsContact O-N 3.12Å; K176-W180 HydrophobicContact CB-CH2 3.88Å; K176-W180 HydrophobicContact CB-CZ2 3.94Å; K176-W180 HydrophobicContact CB-CZ3 4.18Å; K176-W180 HydrophobicContact CD-CH2 4.39Å; K176-W180 HydrophobicContact CD-CZ2 4.37Å; K176-W180 VanDerWaalsContact O-CD2 3.31Å; K176-W180 PolarHBondContact O-N 3.25Å; K176-I219 HydrophobicContact CG-CD1 4.15Å; K176-I219 HydrophobicContact CG-CG1 3.82Å; K176-M222 HydrophobicContact CB-CE 4.46Å; K176-M222 HydrophobicContact CG-CE 4.3Å; K176-M222 HydrophobicContact CG-SD 4.18Å
177S95.7Very high93.1Very high0 Ų037.9 Ų37.90%019%0.192CC..Hα-helixtrans-64.9-37.4-179.454.30000112.4M162 L173 L174 A175 L179 W180 F181M162-S177 WeakPolarHBondContact CA-OG 3.36Å; M162-S177 WeakPolarHBondContact CE-O 3.38Å; M162-S177 WeakPolarHBondContact CG-OG 3.2Å; L173-S177 WeakPolarHBondContact O-CB 3.37Å; L173-S177 PolarHBondContact O-N 2.84Å; L173-S177 PolarHBondContact O-OG 3.38Å; L174-S177 PolarHBondContact O-N 2.74Å; L174-S177 PolarHBondContact O-OG 2.97Å; A175-S177 PolarHBondContact O-N 2.92Å; S177-L179 PolarHBondContact O-N 3.35Å; S177-W180 VanDerWaalsContact CA-CE3 3.48Å; S177-W180 PolarHBondContact O-N 3.12Å; S177-F181 WeakPolarHBondContact O-CB 3.08Å; S177-F181 PolarHBondContact O-N 3.32Å
178Q96.7Very high93.6Very high45 Ų4535.8 Ų35.821%0.2118%0.179CC..Hα-helixtrans-63.5-38171.3-68.6175.8-24.900112.7M162 L174 A175 K176 F181 A182 I201M162-Q178 HydrophobicContact CE-CG 4.35Å; M162-Q178 HydrophobicContact CG-CG 4.19Å; M162-Q178 HydrophobicContact SD-CG 3.68Å; L174-Q178 HydrophobicContact CD1-CG 4.43Å; L174-Q178 WeakPolarHBondContact O-CB 3.46Å; L174-Q178 WeakPolarHBondContact O-CG 3.28Å; L174-Q178 PolarHBondContact O-N 3.48Å; A175-Q178 PolarHBondContact O-N 3.19Å; K176-Q178 VanDerWaalsContact C-N 3.33Å; K176-Q178 PolarHBondContact O-N 3.35Å; Q178-F181 PolarHBondContact O-N 3Å; Q178-A182 WeakPolarHBondContact O-CB 3.46Å; Q178-A182 PolarHBondContact O-N 2.83Å; Q178-I201 HydrophobicContact CB-CD1 3.4Å; Q178-I201 VanDerWaalsContact CB-CD1 3.4Å; Q178-I201 HydrophobicContact CB-CG1 3.79Å
179L97.4Very high93.9Very high0 Ų034.3 Ų34.30%018%0.18CC..Hα-helixtrans-65.3-43.8173.7-68.6175.8000111.7A175 K176 S177 F181 A182 Q183 L198 I201 I219 M222 A223 L226A175-L179 WeakPolarHBondContact O-CG 2.88Å; A175-L179 PolarHBondContact O-N 3.18Å; K176-L179 WeakPolarHBondContact O-CB 3.34Å; K176-L179 PolarHBondContact O-N 3.37Å; K176-L179 VanDerWaalsContact O-N 3.12Å; S177-L179 PolarHBondContact O-N 3.35Å; L179-F181 VanDerWaalsContact C-N 3.31Å; L179-F181 PolarHBondContact O-N 3.33Å; L179-A182 WeakPolarHBondContact O-CB 3.31Å; L179-A182 PolarHBondContact O-N 3.04Å; L179-Q183 PolarHBondContact O-N 3.43Å; L179-L198 HydrophobicContact CD2-CD2 3.48Å; L179-L198 VanDerWaalsContact CD2-CD2 3.48Å; L179-I201 HydrophobicContact CD2-CB 4.46Å; L179-I201 HydrophobicContact CD2-CD1 3.69Å; L179-I201 HydrophobicContact CD2-CG2 4.11Å; L179-I201 HydrophobicContact CG-CD1 4.06Å; L179-I201 HydrophobicContact CG-CG2 4.29Å; L179-I219 HydrophobicContact CD1-CG2 3.84Å; L179-M222 HydrophobicContact CB-CE 4.36Å; L179-M222 HydrophobicContact CD1-CB 3.76Å; L179-M222 HydrophobicContact CD1-CE 4.27Å; L179-A223 HydrophobicContact CD1-CB 4.37Å; L179-A223 HydrophobicContact CD2-CB 4.06Å; L179-L226 HydrophobicContact CB-CD1 3.83Å; L179-L226 HydrophobicContact CD2-CD1 4.12Å; L179-L226 HydrophobicContact CG-CD1 4.5Å; L179-L226 WeakPolarHBondContact O-CD1 3.13Å
180W97.8Very high94.4Very high77 Ų7732.8 Ų32.829%0.29217%0.167SC..Hα-helixtrans-62.4-38.7175.5-61.6-37.5000112.2S158 Q161 K176 S177 Q183 S184 M222S158-W180 VanDerWaalsContact OG-CB 3.31Å; S158-W180 WeakPolarHBondContact OG-CB 3.38Å; Q161-W180 VanDerWaalsContact NE2-CZ3 3.32Å; K176-W180 HydrophobicContact CB-CH2 3.88Å; K176-W180 HydrophobicContact CB-CZ2 3.94Å; K176-W180 HydrophobicContact CB-CZ3 4.18Å; K176-W180 HydrophobicContact CD-CH2 4.39Å; K176-W180 HydrophobicContact CD-CZ2 4.37Å; K176-W180 VanDerWaalsContact O-CD2 3.31Å; K176-W180 PolarHBondContact O-N 3.25Å; S177-W180 VanDerWaalsContact CA-CE3 3.48Å; S177-W180 PolarHBondContact O-N 3.12Å; W180-Q183 WeakPolarHBondContact O-CB 3.01Å; W180-Q183 PolarHBondContact O-N 3.47Å; W180-S184 PolarHBondContact O-N 3.19Å; W180-M222 HydrophobicContact CZ2-CE 4.38Å
181F98.3Very high94.8Very high43 Ų4332.2 Ų32.219%0.18916%0.162CC..Hα-helixtrans-65.9-41.1173.2-178-106.3000112.4S158 L159 M162 S177 Q178 L179 Q183 S184 L185 I197S158-F181 PolarHBondContact OG-N 3.05Å; L159-F181 HydrophobicContact CD1-CD2 4.49Å; L159-F181 HydrophobicContact CD1-CE2 3.94Å; L159-F181 HydrophobicContact CD2-CD2 3.99Å; L159-F181 HydrophobicContact CD2-CE2 3.89Å; L159-F181 HydrophobicContact CD2-CG 4.46Å; L159-F181 HydrophobicContact CD2-CZ 4.29Å; L159-F181 HydrophobicContact CG-CD2 3.92Å; L159-F181 HydrophobicContact CG-CE2 3.84Å; M162-F181 HydrophobicContact CE-CB 3.15Å; M162-F181 HydrophobicContact CE-CD1 4.09Å; M162-F181 HydrophobicContact CE-CD2 4.2Å; M162-F181 HydrophobicContact CE-CG 3.58Å; S177-F181 WeakPolarHBondContact O-CB 3.08Å; S177-F181 PolarHBondContact O-N 3.32Å; Q178-F181 PolarHBondContact O-N 3Å; L179-F181 VanDerWaalsContact C-N 3.31Å; L179-F181 PolarHBondContact O-N 3.33Å; F181-Q183 VanDerWaalsContact C-N 3.27Å; F181-Q183 PolarHBondContact O-N 2.87Å; F181-S184 WeakPolarHBondContact O-CB 3.27Å; F181-S184 PolarHBondContact O-N 2.93Å; F181-S184 VanDerWaalsContact O-N 3.14Å; F181-S184 PolarHBondContact O-OG 3.13Å; F181-L185 HydrophobicContact CD1-CD1 4.05Å; F181-L185 HydrophobicContact CE1-CD1 3.66Å; F181-L185 HydrophobicContact CE1-CG 4.24Å; F181-L185 HydrophobicContact CZ-CD1 4.23Å; F181-L185 HydrophobicContact CZ-CG 4.39Å; F181-L185 PolarHBondContact O-N 3.35Å; F181-L185 VanDerWaalsContact O-N 3.09Å; F181-I197 HydrophobicContact CD1-CD1 3.79Å; F181-I197 HydrophobicContact CE1-CD1 3.76Å
182A97.8Very high95.1Very high0 Ų036.5 Ų36.50%017%0.173CC..Hα-helixtrans-61.3-36.6174.200000112.3Q178 L179 L185 M186 S194 I197 L198Q178-A182 WeakPolarHBondContact O-CB 3.46Å; Q178-A182 PolarHBondContact O-N 2.83Å; L179-A182 WeakPolarHBondContact O-CB 3.31Å; L179-A182 PolarHBondContact O-N 3.04Å; A182-L185 PolarHBondContact O-N 3.41Å; A182-M186 PolarHBondContact O-N 3.35Å; A182-S194 WeakPolarHBondContact O-CB 3Å; A182-S194 PolarHBondContact O-OG 3.4Å; A182-I197 HydrophobicContact CB-CB 4.24Å; A182-I197 HydrophobicContact CB-CG2 3.85Å; A182-L198 HydrophobicContact CB-CD2 4Å; A182-L198 HydrophobicContact CB-CG 4.07Å
183Q97.9Very high95.5Very high16 Ų1638.7 Ų38.78%0.07519%0.185CC..Hα-helixtrans-61.4-46.8171.6172.764.87.100111.2L179 W180 F181 L185 M186 Q187 L226 R229L179-Q183 PolarHBondContact O-N 3.43Å; W180-Q183 WeakPolarHBondContact O-CB 3.01Å; W180-Q183 PolarHBondContact O-N 3.47Å; F181-Q183 VanDerWaalsContact C-N 3.27Å; F181-Q183 PolarHBondContact O-N 2.87Å; Q183-L185 PolarHBondContact O-N 2.78Å; Q183-M186 WeakPolarHBondContact O-CA 3.44Å; Q183-M186 VanDerWaalsContact O-CB 3.25Å; Q183-M186 WeakPolarHBondContact O-CB 3.22Å; Q183-M186 PolarHBondContact O-N 3.27Å; Q183-Q187 VanDerWaalsContact NE2-NE2 3.12Å; Q183-Q187 WeakPolarHBondContact O-CG 3.12Å; Q183-Q187 PolarHBondContact O-N 3.18Å; Q183-L226 HydrophobicContact CB-CD1 4.47Å; Q183-L226 HydrophobicContact CB-CD2 3.78Å; Q183-L226 HydrophobicContact CG-CD2 4.15Å; Q183-R229 VanDerWaalsContact NE2-CZ 3.34Å
184S98Very high95.7Very high0 Ų036.4 Ų36.40%017%0.173CC..Hα-helixtrans-58.6-36177.784.60000113.2A151 G155 W180 F181 R188A151-S184 WeakPolarHBondContact O-CB 3.42Å; G155-S184 VanDerWaalsContact CA-CB 3.46Å; G155-S184 VanDerWaalsContact CA-OG 3.27Å; G155-S184 WeakPolarHBondContact CA-OG 3.17Å; W180-S184 PolarHBondContact O-N 3.19Å; F181-S184 WeakPolarHBondContact O-CB 3.27Å; F181-S184 PolarHBondContact O-N 2.93Å; F181-S184 VanDerWaalsContact O-N 3.14Å; F181-S184 PolarHBondContact O-OG 3.13Å; S184-R188 WeakPolarHBondContact O-CG 3.49Å; S184-R188 PolarHBondContact O-N 3Å; S184-R188 PolarHBondContact O-NE 2.87Å; S184-R188 PolarHBondContact OG-NH2 2.93Å; S184-R188 VanDerWaalsContact OG-NH2 3.08Å
185L97.5Very high95.8Very high16 Ų1634.5 Ų34.58%0.08416%0.164CC..Hα-helixtrans-70.8-36.8175.6-73.5172.1000111.2F181 A182 Q183 R188 G189 F190 N193 I197F181-L185 HydrophobicContact CD1-CD1 4.05Å; F181-L185 HydrophobicContact CE1-CD1 3.66Å; F181-L185 HydrophobicContact CE1-CG 4.24Å; F181-L185 HydrophobicContact CZ-CD1 4.23Å; F181-L185 HydrophobicContact CZ-CG 4.39Å; F181-L185 PolarHBondContact O-N 3.35Å; F181-L185 VanDerWaalsContact O-N 3.09Å; A182-L185 PolarHBondContact O-N 3.41Å; Q183-L185 PolarHBondContact O-N 2.78Å; L185-R188 PolarHBondContact O-N 3.29Å; L185-G189 PolarHBondContact O-N 3.21Å; L185-F190 HydrophobicContact CB-CB 4.14Å; L185-F190 HydrophobicContact CD2-CB 4.09Å; L185-F190 HydrophobicContact CD2-CD2 3.91Å; L185-F190 HydrophobicContact CD2-CG 4.24Å; L185-F190 WeakPolarHBondContact O-CA 3.35Å; L185-F190 WeakPolarHBondContact O-CB 3.44Å; L185-F190 PolarHBondContact O-N 3.48Å; L185-N193 HydrophobicContact CD1-CB 4.15Å; L185-I197 HydrophobicContact CD1-CD1 3.54Å
186M95.5Very high96Very high3 Ų342.1 Ų42.12%0.01520%0.196CC..Hα-helixtrans-65.6-42.9178.9-157.8-170.2-42.100111.5A182 Q183 R188 G189 L191 L198 L226 R229 L230 L233A182-M186 PolarHBondContact O-N 3.35Å; Q183-M186 WeakPolarHBondContact O-CA 3.44Å; Q183-M186 VanDerWaalsContact O-CB 3.25Å; Q183-M186 WeakPolarHBondContact O-CB 3.22Å; Q183-M186 PolarHBondContact O-N 3.27Å; M186-R188 VanDerWaalsContact C-N 3.34Å; M186-R188 PolarHBondContact O-N 3.01Å; M186-G189 PolarHBondContact O-N 2.82Å; M186-G189 VanDerWaalsContact O-N 3.09Å; M186-L191 HydrophobicContact CG-CD2 3.82Å; M186-L198 HydrophobicContact CE-CD1 4.46Å; M186-L226 HydrophobicContact CE-CB 4.08Å; M186-L226 HydrophobicContact CE-CD2 3.97Å; M186-L226 WeakPolarHBondContact CE-O 3.05Å; M186-R229 HydrophobicContact SD-CB 4.02Å; M186-R229 HydrophobicContact SD-CG 3.71Å; M186-L230 HydrophobicContact CE-CB 4.18Å; M186-L230 HydrophobicContact CG-CD1 4.11Å; M186-L230 HydrophobicContact SD-CB 3.93Å; M186-L230 HydrophobicContact SD-CD1 4.43Å; M186-L230 PolarHBondContact SD-N 2.81Å; M186-L233 HydrophobicContact CG-CD1 3.53Å; M186-L233 HydrophobicContact SD-CD1 3.68Å
187Q95.5Very high96.1Very high23 Ų2342.3 Ų42.311%0.10720%0.199CC..Hα-helixtrans-58.6-44.5176.1-75170-32.300111.7S141 D145 A151 Q183 G189S141-Q187 PolarHBondContact O-NE2 3.03Å; S141-Q187 PolarHBondContact OG-NE2 3.5Å; D145-Q187 WeakPolarHBondContact OD1-CG 3.3Å; D145-Q187 PolarHBondContact OD1-NE2 3.46Å; A151-Q187 HydrophobicContact CB-CB 3.63Å; Q183-Q187 VanDerWaalsContact NE2-NE2 3.12Å; Q183-Q187 WeakPolarHBondContact O-CG 3.12Å; Q183-Q187 PolarHBondContact O-N 3.18Å; Q187-G189 PolarHBondContact O-N 2.59Å; Q187-G189 VanDerWaalsContact O-N 3.16Å
188R94.5Very high96Very high59 Ų5942.6 Ų42.622%0.22320%0.2CC..THydrogen-bonded Turntrans-78.111175.9-63.9175.7-71.3171.8-3.7114.6A151 S152 S184 L185 M186 F190A151-R188 HydrophobicContact CB-CG 3.65Å; S152-R188 PolarHBondContact OG-NH1 3.43Å; S184-R188 WeakPolarHBondContact O-CG 3.49Å; S184-R188 PolarHBondContact O-N 3Å; S184-R188 PolarHBondContact O-NE 2.87Å; S184-R188 PolarHBondContact OG-NH2 2.93Å; S184-R188 VanDerWaalsContact OG-NH2 3.08Å; L185-R188 PolarHBondContact O-N 3.29Å; M186-R188 VanDerWaalsContact C-N 3.34Å; M186-R188 PolarHBondContact O-N 3.01Å; R188-F190 VanDerWaalsContact C-N 3.3Å; R188-F190 HydrophobicContact CB-CD2 3.62Å; R188-F190 HydrophobicContact CB-CE2 3.66Å; R188-F190 PolarHBondContact O-N 3.31Å
189G92.4Very high95.8Very high33 Ų3347.3 Ų47.334%0.3422%0.216SC..THydrogen-bonded Turntrans75.45.1177.300000116.6L185 M186 Q187 L191L185-G189 PolarHBondContact O-N 3.21Å; M186-G189 PolarHBondContact O-N 2.82Å; M186-G189 VanDerWaalsContact O-N 3.09Å; Q187-G189 PolarHBondContact O-N 2.59Å; Q187-G189 VanDerWaalsContact O-N 3.16Å; G189-L191 PolarHBondContact O-N 2.77Å
190F94.9Very high95.6Very high104 Ų10455.1 Ų55.146%0.45625%0.245SC..  trans-76.854174.2-58.8-72.4000112.2L185 R188 K192 N193 S194L185-F190 HydrophobicContact CB-CB 4.14Å; L185-F190 HydrophobicContact CD2-CB 4.09Å; L185-F190 HydrophobicContact CD2-CD2 3.91Å; L185-F190 HydrophobicContact CD2-CG 4.24Å; L185-F190 WeakPolarHBondContact O-CA 3.35Å; L185-F190 WeakPolarHBondContact O-CB 3.44Å; L185-F190 PolarHBondContact O-N 3.48Å; R188-F190 VanDerWaalsContact C-N 3.3Å; R188-F190 HydrophobicContact CB-CD2 3.62Å; R188-F190 HydrophobicContact CB-CE2 3.66Å; R188-F190 PolarHBondContact O-N 3.31Å; F190-K192 VanDerWaalsContact C-N 3.33Å; F190-K192 PolarHBondContact O-N 2.88Å; F190-N193 HydrophobicContact CB-CB 4.32Å; F190-N193 PolarHBondContact O-N 2.99Å; F190-N193 VanDerWaalsContact O-N 3.13Å; F190-S194 PolarHBondContact O-N 3.35Å
191L95.1Very high95.3Very high12 Ų1251.6 Ų51.66%0.06323%0.233CC..Hα-helixtrans-58.9-39.3-171.2-54.1-172.8000113.2M186 G189 N193 S194 A195 L230 L233 W234 K237M186-L191 HydrophobicContact CG-CD2 3.82Å; G189-L191 PolarHBondContact O-N 2.77Å; L191-N193 PolarHBondContact O-N 3.39Å; L191-S194 PolarHBondContact O-N 2.98Å; L191-A195 WeakPolarHBondContact O-CB 3.34Å; L191-A195 PolarHBondContact O-N 3.32Å; L191-L230 HydrophobicContact CB-CD1 3.88Å; L191-L230 HydrophobicContact CD2-CD1 4.09Å; L191-L230 HydrophobicContact CG-CD1 4.48Å; L191-L233 HydrophobicContact CD1-CB 4.18Å; L191-L233 HydrophobicContact CD2-CB 4.13Å; L191-L233 HydrophobicContact CD2-CD1 4.26Å; L191-W234 HydrophobicContact CD1-CB 4.37Å; L191-K237 HydrophobicContact CD1-CD 4.07Å
192K94.9Very high94.8Very high162 Ų16254.7 Ų54.770%0.70424%0.244SC*.Hα-helixtrans-62.4-43.4178.1-70.6-175.3177.7-178.60111.9F190 A195 K196F190-K192 VanDerWaalsContact C-N 3.33Å; F190-K192 PolarHBondContact O-N 2.88Å; K192-A195 PolarHBondContact O-N 3.39Å; K192-K196 PolarHBondContact O-N 2.74Å
193N96.4Very high94.4Very high85 Ų8560.5 Ų60.546%0.45527%0.273SS..Hα-helixtrans-69.8-43.5-179.9-67-4.3000110.5L185 F190 L191 A195 K196 I197L185-N193 HydrophobicContact CD1-CB 4.15Å; F190-N193 HydrophobicContact CB-CB 4.32Å; F190-N193 PolarHBondContact O-N 2.99Å; F190-N193 VanDerWaalsContact O-N 3.13Å; L191-N193 PolarHBondContact O-N 3.39Å; N193-A195 VanDerWaalsContact C-N 3.33Å; N193-A195 PolarHBondContact O-N 2.97Å; N193-K196 PolarHBondContact O-N 3.36Å; N193-I197 WeakPolarHBondContact O-CG1 3.38Å; N193-I197 PolarHBondContact O-N 2.79Å
194S95.3Very high93.9Very high0 Ų064.7 Ų64.70%029%0.294CS..Hα-helixtrans-56.2-47.3173.3-175.10000111.3A182 F190 L191 K196 I197 L198A182-S194 WeakPolarHBondContact O-CB 3Å; A182-S194 PolarHBondContact O-OG 3.4Å; F190-S194 PolarHBondContact O-N 3.35Å; L191-S194 PolarHBondContact O-N 2.98Å; S194-K196 PolarHBondContact O-N 2.78Å; S194-I197 PolarHBondContact O-N 3.01Å; S194-L198 WeakPolarHBondContact O-CG 3.39Å; S194-L198 PolarHBondContact O-N 3.05Å
195A94.8Very high93.3Very high3 Ų365.3 Ų65.33%0.02530%0.297CS..Hα-helixtrans-59.1-43.3176.800000113.1L191 K192 N193 I197 R199 L230 W234L191-A195 WeakPolarHBondContact O-CB 3.34Å; L191-A195 PolarHBondContact O-N 3.32Å; K192-A195 PolarHBondContact O-N 3.39Å; N193-A195 VanDerWaalsContact C-N 3.33Å; N193-A195 PolarHBondContact O-N 2.97Å; A195-I197 VanDerWaalsContact C-N 3.34Å; A195-R199 WeakPolarHBondContact O-CB 3.31Å; A195-R199 VanDerWaalsContact O-CG 3.31Å; A195-R199 WeakPolarHBondContact O-CG 3.29Å; A195-R199 PolarHBondContact O-N 3.16Å; A195-L230 HydrophobicContact CB-CD2 3.62Å; A195-W234 HydrophobicContact CB-CZ3 4.19Å
196K96.3Very high92.6Very high164 Ų16468.2 Ų68.271%0.71331%0.309SS*.Hα-helixtrans-61.5-44.3178.4-175.1178.6179.8179.80111K192 N193 S194 R200K192-K196 PolarHBondContact O-N 2.74Å; N193-K196 PolarHBondContact O-N 3.36Å; S194-K196 PolarHBondContact O-N 2.78Å; K196-R200 WeakPolarHBondContact O-CB 3.13Å; K196-R200 PolarHBondContact O-N 3.5Å; K196-R200 VanDerWaalsContact O-N 3.13Å
197I94.7Very high92.1Very high44 Ų4473.2 Ų73.223%0.22634%0.341CS..Hα-helixtrans-67.6-48.8179.1-67.1176.4000110.7F181 A182 L185 N193 S194 A195 R199 R200 I201F181-I197 HydrophobicContact CD1-CD1 3.79Å; F181-I197 HydrophobicContact CE1-CD1 3.76Å; A182-I197 HydrophobicContact CB-CB 4.24Å; A182-I197 HydrophobicContact CB-CG2 3.85Å; L185-I197 HydrophobicContact CD1-CD1 3.54Å; N193-I197 WeakPolarHBondContact O-CG1 3.38Å; N193-I197 PolarHBondContact O-N 2.79Å; S194-I197 PolarHBondContact O-N 3.01Å; A195-I197 VanDerWaalsContact C-N 3.34Å; I197-R199 VanDerWaalsContact C-N 3.32Å; I197-R199 PolarHBondContact O-N 3.31Å; I197-R200 PolarHBondContact O-N 3.25Å; I197-R200 VanDerWaalsContact O-N 3.11Å; I197-I201 HydrophobicContact CG2-CD1 3.57Å; I197-I201 HydrophobicContact CG2-CG1 4.17Å; I197-I201 VanDerWaalsContact O-CG1 3.3Å; I197-I201 WeakPolarHBondContact O-CG1 3.39Å; I197-I201 PolarHBondContact O-N 3.36Å
198L93.8Very high91.5Very high6 Ų677.4 Ų77.43%0.03136%0.364CS..Hα-helixtrans-55.7-45.6178.6-73.4176000112.3L179 A182 M186 S194 I201 Y202 L226 W227 L230L179-L198 HydrophobicContact CD2-CD2 3.48Å; L179-L198 VanDerWaalsContact CD2-CD2 3.48Å; A182-L198 HydrophobicContact CB-CD2 4Å; A182-L198 HydrophobicContact CB-CG 4.07Å; M186-L198 HydrophobicContact CE-CD1 4.46Å; S194-L198 WeakPolarHBondContact O-CG 3.39Å; S194-L198 PolarHBondContact O-N 3.05Å; L198-I201 PolarHBondContact O-N 3.4Å; L198-Y202 WeakPolarHBondContact O-CB 3.23Å; L198-Y202 PolarHBondContact O-N 2.79Å; L198-L226 HydrophobicContact CD1-CB 4.04Å; L198-L226 HydrophobicContact CD2-CB 3.89Å; L198-L226 HydrophobicContact CD2-CD1 3.86Å; L198-W227 HydrophobicContact CB-CE3 4.42Å; L198-W227 HydrophobicContact CD1-CE3 4.28Å; L198-L230 HydrophobicContact CD1-CD2 4.09Å
199R93.1Very high90.7Very high143 Ų14375.9 Ų75.954%0.5436%0.359SS..Hα-helixtrans-61.3-45.6176.5-73.5174.6-178.5166.91.2112A195 I197 Y202 I203 W227A195-R199 WeakPolarHBondContact O-CB 3.31Å; A195-R199 VanDerWaalsContact O-CG 3.31Å; A195-R199 WeakPolarHBondContact O-CG 3.29Å; A195-R199 PolarHBondContact O-N 3.16Å; I197-R199 VanDerWaalsContact C-N 3.32Å; I197-R199 PolarHBondContact O-N 3.31Å; R199-Y202 PolarHBondContact O-N 3.08Å; R199-I203 VanDerWaalsContact O-CG1 3.27Å; R199-I203 WeakPolarHBondContact O-CG1 3.41Å; R199-I203 PolarHBondContact O-N 3.28Å; R199-W227 HydrophobicContact CG-CH2 4.3Å; R199-W227 HydrophobicContact CG-CZ3 4.11Å
200R93.4Very high90.1Very high164 Ų16481.1 Ų81.162%0.61937%0.369SS*.Hα-helixtrans-60.5-48.7178.8-179.3-178.6176.3-175.21.4111.1K196 I197 Y202 I203 M204K196-R200 WeakPolarHBondContact O-CB 3.13Å; K196-R200 PolarHBondContact O-N 3.5Å; K196-R200 VanDerWaalsContact O-N 3.13Å; I197-R200 PolarHBondContact O-N 3.25Å; I197-R200 VanDerWaalsContact O-N 3.11Å; R200-Y202 VanDerWaalsContact C-N 3.33Å; R200-Y202 PolarHBondContact O-N 2.65Å; R200-I203 PolarHBondContact O-N 3.3Å; R200-M204 HydrophobicContact CG-SD 3.91Å; R200-M204 WeakPolarHBondContact O-CB 3.24Å; R200-M204 WeakPolarHBondContact O-CG 3.47Å; R200-M204 PolarHBondContact O-N 2.7Å
201I91.6Very high89Confident4 Ų480.9 Ų80.92%0.02138%0.378CS..Hα-helixtrans-59.6-47.8178.6-61.9161.3000109.6A175 Q178 L179 I197 L198 I203 M204 W205A175-I201 HydrophobicContact CB-CG2 4.34Å; Q178-I201 HydrophobicContact CB-CD1 3.4Å; Q178-I201 VanDerWaalsContact CB-CD1 3.4Å; Q178-I201 HydrophobicContact CB-CG1 3.79Å; L179-I201 HydrophobicContact CD2-CB 4.46Å; L179-I201 HydrophobicContact CD2-CD1 3.69Å; L179-I201 HydrophobicContact CD2-CG2 4.11Å; L179-I201 HydrophobicContact CG-CD1 4.06Å; L179-I201 HydrophobicContact CG-CG2 4.29Å; I197-I201 HydrophobicContact CG2-CD1 3.57Å; I197-I201 HydrophobicContact CG2-CG1 4.17Å; I197-I201 VanDerWaalsContact O-CG1 3.3Å; I197-I201 WeakPolarHBondContact O-CG1 3.39Å; I197-I201 PolarHBondContact O-N 3.36Å; L198-I201 PolarHBondContact O-N 3.4Å; I201-I203 PolarHBondContact O-N 2.75Å; I201-M204 PolarHBondContact O-N 2.85Å; I201-W205 HydrophobicContact CG2-CB 4.39Å; I201-W205 WeakPolarHBondContact O-CA 3.26Å; I201-W205 WeakPolarHBondContact O-CB 3.36Å; I201-W205 PolarHBondContact O-N 3.06Å
202Y88.1Confident88.1Confident107 Ų10786.9 Ų86.942%0.4241%0.41SS..Hα-helixtrans-60.5-45-178.1-172.1-99.2000112.2L198 R199 R200 M204 W205 K206 D220L198-Y202 WeakPolarHBondContact O-CB 3.23Å; L198-Y202 PolarHBondContact O-N 2.79Å; R199-Y202 PolarHBondContact O-N 3.08Å; R200-Y202 VanDerWaalsContact C-N 3.33Å; R200-Y202 PolarHBondContact O-N 2.65Å; Y202-M204 VanDerWaalsContact C-N 3.33Å; Y202-M204 PolarHBondContact O-N 3.39Å; Y202-W205 PolarHBondContact O-N 3.49Å; Y202-K206 HydrophobicContact CE2-CD 4.14Å; Y202-K206 VanDerWaalsContact O-CB 3.22Å; Y202-K206 WeakPolarHBondContact O-CB 3.41Å; Y202-K206 PolarHBondContact O-N 3.34Å; Y202-K206 WeakPolarHBondContact OH-CE 3.5Å; Y202-D220 WeakPolarHBondContact CE2-OD1 3.35Å
203I88.6Confident87.1Confident122 Ų12281.7 Ų81.763%0.62639%0.39SS*.Hα-helixtrans-62.2-40.8177-68.1165.3000111.4R199 R200 I201 P207R199-I203 VanDerWaalsContact O-CG1 3.27Å; R199-I203 WeakPolarHBondContact O-CG1 3.41Å; R199-I203 PolarHBondContact O-N 3.28Å; R200-I203 PolarHBondContact O-N 3.3Å; I201-I203 PolarHBondContact O-N 2.75Å; I203-P207 WeakPolarHBondContact O-CD 3.17Å
204M87.6Confident85.9Confident104 Ų10481.8 Ų81.851%0.51240%0.397SS..Hα-helixtrans-75.5-36.4179.9-69.7-17963.600112.9R200 I201 Y202R200-M204 HydrophobicContact CG-SD 3.91Å; R200-M204 WeakPolarHBondContact O-CB 3.24Å; R200-M204 WeakPolarHBondContact O-CG 3.47Å; R200-M204 PolarHBondContact O-N 2.7Å; I201-M204 PolarHBondContact O-N 2.85Å; Y202-M204 VanDerWaalsContact C-N 3.33Å; Y202-M204 PolarHBondContact O-N 3.39Å
205W86.1Confident84.7Confident13 Ų1383.2 Ų83.25%0.04941%0.407CS..Hα-helixtrans-81.1-42-173.5177.2-105.9000112.2I172 A175 I201 Y202 L208 M209 D216 I219I172-W205 HydrophobicContact CG1-CH2 3.83Å; I172-W205 HydrophobicContact CG1-CZ3 4.28Å; A175-W205 HydrophobicContact CB-CD2 4.2Å; A175-W205 HydrophobicContact CB-CE3 3.76Å; A175-W205 HydrophobicContact CB-CZ3 4.3Å; I201-W205 HydrophobicContact CG2-CB 4.39Å; I201-W205 WeakPolarHBondContact O-CA 3.26Å; I201-W205 WeakPolarHBondContact O-CB 3.36Å; I201-W205 PolarHBondContact O-N 3.06Å; Y202-W205 PolarHBondContact O-N 3.49Å; W205-L208 PolarHBondContact O-N 3.48Å; W205-M209 HydrophobicContact CZ2-CG 4.36Å; W205-M209 PolarHBondContact O-N 3.21Å; W205-M209 VanDerWaalsContact O-N 3.11Å; W205-D216 HydrophobicContact CH2-CB 4.36Å; W205-D216 HydrophobicContact CZ2-CB 3.69Å; W205-I219 HydrophobicContact CD2-CB 4.49Å; W205-I219 HydrophobicContact CD2-CD1 4.25Å; W205-I219 HydrophobicContact CD2-CG2 3.91Å; W205-I219 HydrophobicContact CE3-CD1 4.31Å; W205-I219 HydrophobicContact CG-CG2 3.92Å; W205-I219 HydrophobicContact CH2-CD1 3.52Å; W205-I219 HydrophobicContact CZ2-CB 4.09Å; W205-I219 HydrophobicContact CZ2-CD1 3.39Å; W205-I219 HydrophobicContact CZ2-CG1 4.27Å; W205-I219 HydrophobicContact CZ2-CG2 4.41Å; W205-I219 HydrophobicContact CZ3-CD1 3.96Å
206K81.7Confident84Confident78 Ų7883.2 Ų83.234%0.33941%0.407SS..G310 helixtrans-56.6-41.2-172.1-162.663.9165.8-174.70113.9Y202 L208 M209 D220Y202-K206 HydrophobicContact CE2-CD 4.14Å; Y202-K206 VanDerWaalsContact O-CB 3.22Å; Y202-K206 WeakPolarHBondContact O-CB 3.41Å; Y202-K206 PolarHBondContact O-N 3.34Å; Y202-K206 WeakPolarHBondContact OH-CE 3.5Å; K206-L208 VanDerWaalsContact C-N 3.33Å; K206-L208 PolarHBondContact O-N 2.82Å; K206-M209 HydrophobicContact CD-SD 4.47Å; K206-M209 WeakPolarHBondContact O-CB 3.46Å; K206-M209 PolarHBondContact O-N 2.73Å; K206-D220 IonicContact NZ-OD1 2.59Å; K206-D220 PolarHBondContact NZ-OD1 3.03Å; K206-D220 IonicContact NZ-OD2 3.5Å; K206-D220 PolarHBondContact NZ-OD2 3.08Å
207P84.5Confident83.3Confident108 Ų10877.9 Ų77.970%0.70139%0.385SS*.G310 helixtrans-71.4-24.7177-19.433.7000114.3I203 M209I203-P207 WeakPolarHBondContact O-CD 3.17Å; P207-M209 VanDerWaalsContact C-N 3.35Å
208L82.9Confident83Confident111 Ų11183.6 Ų83.658%0.58140%0.404SS*.G310 helixtrans-84.7-15.2178.9-61.7175.9000112.4W205 K206 R210W205-L208 PolarHBondContact O-N 3.48Å; K206-L208 VanDerWaalsContact C-N 3.33Å; K206-L208 PolarHBondContact O-N 2.82Å; L208-R210 PolarHBondContact O-N 2.89Å
209M79.2Confident82.8Confident26 Ų2683.3 Ų83.313%0.12840%0.402CS..  trans-70.3128-173.4-162.8-161.2110.200111W205 K206 P207 P211 D216 M217 D220W205-M209 HydrophobicContact CZ2-CG 4.36Å; W205-M209 PolarHBondContact O-N 3.21Å; W205-M209 VanDerWaalsContact O-N 3.11Å; K206-M209 HydrophobicContact CD-SD 4.47Å; K206-M209 WeakPolarHBondContact O-CB 3.46Å; K206-M209 PolarHBondContact O-N 2.73Å; P207-M209 VanDerWaalsContact C-N 3.35Å; M209-P211 HydrophobicContact CE-CB 4.24Å; M209-P211 HydrophobicContact CE-CG 4.27Å; M209-D216 HydrophobicContact CG-CB 3.73Å; M209-M217 HydrophobicContact CE-CG 4.47Å; M209-M217 HydrophobicContact CE-SD 3.36Å; M209-M217 WeakPolarHBondContact CE-SD 3.32Å; M209-D220 HydrophobicContact SD-CB 4.22Å
210R79.4Confident82.4Confident144 Ų14478 Ų7854%0.54338%0.384SS..  trans-100.2112.4171.5-77.2-178.9-65.7173.60.2109.6L208 D212 L213 D216L208-R210 PolarHBondContact O-N 2.89Å; R210-D212 WeakPolarHBondContact CB-OD1 3.48Å; R210-D212 PolarHBondContact O-N 2.78Å; R210-L213 HydrophobicContact CB-CB 4.15Å; R210-L213 PolarHBondContact O-N 3.09Å; R210-D216 PolarHBondContact N-OD2 3.48Å
211P71.3Confident82.3Confident98 Ų9877 Ų7764%0.63638%0.382SS*.THydrogen-bonded Turntrans-61.1-27.4-174.1-21.831.9000114.1M209 L213M209-P211 HydrophobicContact CE-CB 4.24Å; M209-P211 HydrophobicContact CE-CG 4.27Å; P211-L213 VanDerWaalsContact C-N 3.25Å; P211-L213 PolarHBondContact O-N 2.79Å
212D76.9Confident82.4Confident138 Ų13879.4 Ų79.474%0.73839%0.393SS*.THydrogen-bonded Turntrans-70.6-19.2175.757.8-55.1000113R210R210-D212 WeakPolarHBondContact CB-OD1 3.48Å; R210-D212 PolarHBondContact O-N 2.78Å
213L73Confident82.6Confident54 Ų5474.9 Ų74.928%0.28338%0.378SS..  trans-95.2110.2-177.7-168.162.1000111.7R210 P211 S215 D216 M217R210-L213 HydrophobicContact CB-CB 4.15Å; R210-L213 PolarHBondContact O-N 3.09Å; P211-L213 VanDerWaalsContact C-N 3.25Å; P211-L213 PolarHBondContact O-N 2.79Å; L213-S215 WeakPolarHBondContact CD2-OG 3.19Å; L213-S215 WeakPolarHBondContact CG-OG 3.33Å; L213-S215 PolarHBondContact O-N 3.48Å; L213-S215 VanDerWaalsContact O-N 3.14Å; L213-D216 HydrophobicContact CB-CB 4.37Å; L213-D216 WeakPolarHBondContact O-CB 3.35Å; L213-D216 PolarHBondContact O-N 3.45Å; L213-M217 PolarHBondContact O-N 2.87Å
214S71.2Confident82.7Confident86 Ų8673.9 Ų73.960%0.60137%0.373SS*.Hα-helixtrans-57.5-30.8-177.765.70000114.5D216 R218S214-D216 PolarHBondContact O-N 2.82Å; S214-R218 WeakPolarHBondContact O-CG 3.46Å; S214-R218 PolarHBondContact O-N 3.31Å
215S71.4Confident83.1Confident30 Ų3070.9 Ų70.921%0.2137%0.369CS..Hα-helixtrans-64.1-31.8176590000112.6L213L213-S215 WeakPolarHBondContact CD2-OG 3.19Å; L213-S215 WeakPolarHBondContact CG-OG 3.33Å; L213-S215 PolarHBondContact O-N 3.48Å; L213-S215 VanDerWaalsContact O-N 3.14Å
216D78.2Confident83.6Confident4 Ų471.3 Ų71.32%0.02137%0.373CS..Hα-helixtrans-80.2-38.6-174.2-69.27.8000110.5W205 M209 R210 L213 S214 R218 I219 D220W205-D216 HydrophobicContact CH2-CB 4.36Å; W205-D216 HydrophobicContact CZ2-CB 3.69Å; M209-D216 HydrophobicContact CG-CB 3.73Å; R210-D216 PolarHBondContact N-OD2 3.48Å; L213-D216 HydrophobicContact CB-CB 4.37Å; L213-D216 WeakPolarHBondContact O-CB 3.35Å; L213-D216 PolarHBondContact O-N 3.45Å; S214-D216 PolarHBondContact O-N 2.82Å; D216-R218 VanDerWaalsContact C-N 3.26Å; D216-R218 PolarHBondContact O-N 3.41Å; D216-I219 PolarHBondContact O-N 3.23Å; D216-I219 VanDerWaalsContact O-N 3.13Å; D216-D220 PolarHBondContact O-N 2.89Å
217M82.3Confident84.2Confident52 Ų5271.7 Ų71.726%0.25637%0.372SS..Hα-helixtrans-57.4-37.5170.9-69.6-62.4-64.500112.4M209 L213 I219 D220 Y221M209-M217 HydrophobicContact CE-CG 4.47Å; M209-M217 HydrophobicContact CE-SD 3.36Å; M209-M217 WeakPolarHBondContact CE-SD 3.32Å; L213-M217 PolarHBondContact O-N 2.87Å; M217-I219 VanDerWaalsContact C-N 3.27Å; M217-I219 PolarHBondContact O-N 2.75Å; M217-D220 WeakPolarHBondContact O-CB 3.3Å; M217-D220 PolarHBondContact O-N 2.94Å; M217-Y221 HydrophobicContact CB-CE2 4.21Å; M217-Y221 HydrophobicContact CE-CE2 4.21Å; M217-Y221 WeakPolarHBondContact O-CD2 3.47Å; M217-Y221 PolarHBondContact O-N 3.21Å; M217-Y221 VanDerWaalsContact O-N 3.08Å
218R87.7Confident84.7Confident164 Ų16470.8 Ų70.862%0.61936%0.364SS*.Hα-helixtrans-60.5-36.4177.4-70.8177.4-175.1-173.42.7112.4S214 D216 Y221 M222S214-R218 WeakPolarHBondContact O-CG 3.46Å; S214-R218 PolarHBondContact O-N 3.31Å; D216-R218 VanDerWaalsContact C-N 3.26Å; D216-R218 PolarHBondContact O-N 3.41Å; R218-Y221 PolarHBondContact O-N 2.7Å; R218-M222 VanDerWaalsContact O-CG 3.23Å; R218-M222 WeakPolarHBondContact O-CG 3.49Å; R218-M222 PolarHBondContact O-N 2.84Å
219I89.7Confident85.4Confident0 Ų069.2 Ų69.20%035%0.35CS..Hα-helixtrans-68.7-39.6179-66.7168.1000110.4I172 A175 K176 L179 W205 D216 M217 Y221 M222 A223I172-I219 HydrophobicContact CB-CD1 4.27Å; I172-I219 HydrophobicContact CG2-CD1 3.77Å; A175-I219 HydrophobicContact CB-CD1 4.12Å; A175-I219 HydrophobicContact CB-CG2 4.12Å; K176-I219 HydrophobicContact CG-CD1 4.15Å; K176-I219 HydrophobicContact CG-CG1 3.82Å; L179-I219 HydrophobicContact CD1-CG2 3.84Å; W205-I219 HydrophobicContact CD2-CB 4.49Å; W205-I219 HydrophobicContact CD2-CD1 4.25Å; W205-I219 HydrophobicContact CD2-CG2 3.91Å; W205-I219 HydrophobicContact CE3-CD1 4.31Å; W205-I219 HydrophobicContact CG-CG2 3.92Å; W205-I219 HydrophobicContact CH2-CD1 3.52Å; W205-I219 HydrophobicContact CZ2-CB 4.09Å; W205-I219 HydrophobicContact CZ2-CD1 3.39Å; W205-I219 HydrophobicContact CZ2-CG1 4.27Å; W205-I219 HydrophobicContact CZ2-CG2 4.41Å; W205-I219 HydrophobicContact CZ3-CD1 3.96Å; D216-I219 PolarHBondContact O-N 3.23Å; D216-I219 VanDerWaalsContact O-N 3.13Å; M217-I219 VanDerWaalsContact C-N 3.27Å; M217-I219 PolarHBondContact O-N 2.75Å; I219-Y221 PolarHBondContact O-N 2.85Å; I219-M222 PolarHBondContact O-N 3.45Å; I219-A223 WeakPolarHBondContact O-CB 3.32Å; I219-A223 PolarHBondContact O-N 3.18Å
220D86.4Confident86.1Confident30 Ų3068 Ų6816%0.1635%0.345CS..Hα-helixtrans-61.4-44.7176.3-154.246.8000110.8Y202 K206 M209 D216 M217 M222 A223 L224Y202-D220 WeakPolarHBondContact CE2-OD1 3.35Å; K206-D220 IonicContact NZ-OD1 2.59Å; K206-D220 PolarHBondContact NZ-OD1 3.03Å; K206-D220 IonicContact NZ-OD2 3.5Å; K206-D220 PolarHBondContact NZ-OD2 3.08Å; M209-D220 HydrophobicContact SD-CB 4.22Å; D216-D220 PolarHBondContact O-N 2.89Å; M217-D220 WeakPolarHBondContact O-CB 3.3Å; M217-D220 PolarHBondContact O-N 2.94Å; D220-M222 PolarHBondContact O-N 2.8Å; D220-A223 PolarHBondContact O-N 3.37Å; D220-L224 WeakPolarHBondContact O-CB 3.37Å; D220-L224 PolarHBondContact O-N 2.97Å
221Y90.8Very high86.7Confident145 Ų14568.1 Ų68.157%0.56935%0.345SS*.Hα-helixtrans-64.4-39.6175.1-65.8-49.4000113.2M217 R218 I219 L224 G225M217-Y221 HydrophobicContact CB-CE2 4.21Å; M217-Y221 HydrophobicContact CE-CE2 4.21Å; M217-Y221 WeakPolarHBondContact O-CD2 3.47Å; M217-Y221 PolarHBondContact O-N 3.21Å; M217-Y221 VanDerWaalsContact O-N 3.08Å; R218-Y221 PolarHBondContact O-N 2.7Å; I219-Y221 PolarHBondContact O-N 2.85Å; Y221-L224 PolarHBondContact O-N 3.3Å; Y221-G225 PolarHBondContact O-N 3Å
222M93.3Very high87.8Confident53 Ų5369.1 Ų69.126%0.26134%0.341SS..Hα-helixtrans-61.2-47.9173.9-72.2170.966.400110.8K176 L179 W180 R218 I219 D220 L224 G225 L226K176-M222 HydrophobicContact CB-CE 4.46Å; K176-M222 HydrophobicContact CG-CE 4.3Å; K176-M222 HydrophobicContact CG-SD 4.18Å; L179-M222 HydrophobicContact CB-CE 4.36Å; L179-M222 HydrophobicContact CD1-CB 3.76Å; L179-M222 HydrophobicContact CD1-CE 4.27Å; W180-M222 HydrophobicContact CZ2-CE 4.38Å; R218-M222 VanDerWaalsContact O-CG 3.23Å; R218-M222 WeakPolarHBondContact O-CG 3.49Å; R218-M222 PolarHBondContact O-N 2.84Å; I219-M222 PolarHBondContact O-N 3.45Å; D220-M222 PolarHBondContact O-N 2.8Å; M222-L224 PolarHBondContact O-N 3.08Å; M222-G225 PolarHBondContact O-N 3.42Å; M222-L226 WeakPolarHBondContact O-CB 3.41Å; M222-L226 VanDerWaalsContact O-CG 3.27Å; M222-L226 WeakPolarHBondContact O-CG 3.24Å; M222-L226 PolarHBondContact O-N 3.13Å
223A92Very high88.5Confident12 Ų1265 Ų6510%0.09932%0.318CS..Hα-helixtrans-61.2-44.2178.600000111.7L179 I219 D220 L226 W227L179-A223 HydrophobicContact CD1-CB 4.37Å; L179-A223 HydrophobicContact CD2-CB 4.06Å; I219-A223 WeakPolarHBondContact O-CB 3.32Å; I219-A223 PolarHBondContact O-N 3.18Å; D220-A223 PolarHBondContact O-N 3.37Å; A223-L226 PolarHBondContact O-N 2.83Å; A223-W227 WeakPolarHBondContact O-CB 3.37Å; A223-W227 PolarHBondContact O-N 2.86Å
224L91.8Very high89.2Confident101 Ų10166.7 Ų66.753%0.52932%0.321SS..Hα-helixtrans-62.1-46.1176.4-178.561.2000111.8D220 Y221 M222 L226 W227 V228D220-L224 WeakPolarHBondContact O-CB 3.37Å; D220-L224 PolarHBondContact O-N 2.97Å; Y221-L224 PolarHBondContact O-N 3.3Å; M222-L224 PolarHBondContact O-N 3.08Å; L224-L226 PolarHBondContact O-N 3.31Å; L224-W227 WeakPolarHBondContact O-CB 3.33Å; L224-W227 PolarHBondContact O-N 3.41Å; L224-V228 WeakPolarHBondContact O-CG2 3.41Å; L224-V228 PolarHBondContact O-N 3.44Å
225G95.6Very high90.1Very high42 Ų4269 Ų6943%0.43332%0.32SS..Hα-helixtrans-59.8-46.1177.400000112.3Y221 M222 W227 V228 R229Y221-G225 PolarHBondContact O-N 3Å; M222-G225 PolarHBondContact O-N 3.42Å; G225-W227 VanDerWaalsContact C-N 3.32Å; G225-W227 PolarHBondContact O-N 3.28Å; G225-V228 PolarHBondContact O-N 2.86Å; G225-R229 WeakPolarHBondContact O-CB 3.27Å; G225-R229 PolarHBondContact O-N 2.82Å
226L96.2Very high90.9Very high22 Ų2270.2 Ų70.212%0.11533%0.327CS..Hα-helixtrans-64.1-36.7175.5-67.7179.5000112.2L179 Q183 M186 L198 M222 A223 L224 R229 L230L179-L226 HydrophobicContact CB-CD1 3.83Å; L179-L226 HydrophobicContact CD2-CD1 4.12Å; L179-L226 HydrophobicContact CG-CD1 4.5Å; L179-L226 WeakPolarHBondContact O-CD1 3.13Å; Q183-L226 HydrophobicContact CB-CD1 4.47Å; Q183-L226 HydrophobicContact CB-CD2 3.78Å; Q183-L226 HydrophobicContact CG-CD2 4.15Å; M186-L226 HydrophobicContact CE-CB 4.08Å; M186-L226 HydrophobicContact CE-CD2 3.97Å; M186-L226 WeakPolarHBondContact CE-O 3.05Å; L198-L226 HydrophobicContact CD1-CB 4.04Å; L198-L226 HydrophobicContact CD2-CB 3.89Å; L198-L226 HydrophobicContact CD2-CD1 3.86Å; M222-L226 WeakPolarHBondContact O-CB 3.41Å; M222-L226 VanDerWaalsContact O-CG 3.27Å; M222-L226 WeakPolarHBondContact O-CG 3.24Å; M222-L226 PolarHBondContact O-N 3.13Å; A223-L226 PolarHBondContact O-N 2.83Å; L224-L226 PolarHBondContact O-N 3.31Å; L226-R229 PolarHBondContact O-N 2.82Å; L226-L230 VanDerWaalsContact O-CB 3.26Å; L226-L230 WeakPolarHBondContact O-CB 3.3Å; L226-L230 PolarHBondContact O-N 2.83Å
227W95.2Very high91Very high85 Ų8575 Ų7532%0.32235%0.347SS..Hα-helixtrans-65.9-44177.1-171.7-106.3000112.4L198 R199 A223 L224 G225 L230 R231L198-W227 HydrophobicContact CB-CE3 4.42Å; L198-W227 HydrophobicContact CD1-CE3 4.28Å; R199-W227 HydrophobicContact CG-CH2 4.3Å; R199-W227 HydrophobicContact CG-CZ3 4.11Å; A223-W227 WeakPolarHBondContact O-CB 3.37Å; A223-W227 PolarHBondContact O-N 2.86Å; L224-W227 WeakPolarHBondContact O-CB 3.33Å; L224-W227 PolarHBondContact O-N 3.41Å; G225-W227 VanDerWaalsContact C-N 3.32Å; G225-W227 PolarHBondContact O-N 3.28Å; W227-L230 HydrophobicContact CE3-CD2 4Å; W227-L230 HydrophobicContact CZ3-CD2 3.95Å; W227-L230 PolarHBondContact O-N 3.13Å; W227-R231 WeakPolarHBondContact O-CG 3.19Å; W227-R231 PolarHBondContact O-N 3.34Å
228V95.1Very high90.3Very high89 Ų8978.3 Ų78.354%0.53936%0.362SS..Hα-helixtrans-61-47175.3171.50000110.4L224 G225 L230 R231 H232L224-V228 WeakPolarHBondContact O-CG2 3.41Å; L224-V228 PolarHBondContact O-N 3.44Å; G225-V228 PolarHBondContact O-N 2.86Å; V228-L230 PolarHBondContact O-N 2.66Å; V228-R231 PolarHBondContact O-N 3.43Å; V228-H232 PolarHBondContact O-N 2.84Å
229R95.6Very high89.1Confident78 Ų7878 Ų7829%0.29437%0.365SS..Hα-helixtrans-59.4-45.5176.6-174.1178168.1134.22.9112D145 Q183 M186 G225 L226 R231 H232 L233D145-R229 IonicContact OD1-CZ 3.48Å; D145-R229 IonicContact OD1-NH1 2.86Å; D145-R229 PolarHBondContact OD1-NH1 3.13Å; D145-R229 IonicContact OD1-NH2 3.17Å; D145-R229 PolarHBondContact OD1-NH2 2.72Å; D145-R229 IonicContact OD2-CZ 2.89Å; D145-R229 IonicContact OD2-NH1 3.95Å; D145-R229 PolarHBondContact OD2-NH1 2.74Å; D145-R229 IonicContact OD2-NH2 3.81Å; D145-R229 PolarHBondContact OD2-NH2 3.2Å; D145-R229 VanDerWaalsContact OD2-NH2 3.17Å; Q183-R229 VanDerWaalsContact NE2-CZ 3.34Å; M186-R229 HydrophobicContact SD-CB 4.02Å; M186-R229 HydrophobicContact SD-CG 3.71Å; G225-R229 WeakPolarHBondContact O-CB 3.27Å; G225-R229 PolarHBondContact O-N 2.82Å; L226-R229 PolarHBondContact O-N 2.82Å; R229-R231 PolarHBondContact O-N 3.45Å; R229-H232 WeakPolarHBondContact O-CB 3.45Å; R229-H232 PolarHBondContact O-N 3.24Å; R229-L233 HydrophobicContact CG-CD1 4.21Å; R229-L233 WeakPolarHBondContact O-CG 3.18Å; R229-L233 PolarHBondContact O-N 3.14Å
230L94.5Very high87.5Confident1 Ų181.3 Ų81.31%0.00539%0.385CS..Hα-helixtrans-58.4-45.8176.817770.3000111.6M186 L191 A195 L198 L226 W227 V228 H232 L233 W234M186-L230 HydrophobicContact CE-CB 4.18Å; M186-L230 HydrophobicContact CG-CD1 4.11Å; M186-L230 HydrophobicContact SD-CB 3.93Å; M186-L230 HydrophobicContact SD-CD1 4.43Å; M186-L230 PolarHBondContact SD-N 2.81Å; L191-L230 HydrophobicContact CB-CD1 3.88Å; L191-L230 HydrophobicContact CD2-CD1 4.09Å; L191-L230 HydrophobicContact CG-CD1 4.48Å; A195-L230 HydrophobicContact CB-CD2 3.62Å; L198-L230 HydrophobicContact CD1-CD2 4.09Å; L226-L230 VanDerWaalsContact O-CB 3.26Å; L226-L230 WeakPolarHBondContact O-CB 3.3Å; L226-L230 PolarHBondContact O-N 2.83Å; W227-L230 HydrophobicContact CE3-CD2 4Å; W227-L230 HydrophobicContact CZ3-CD2 3.95Å; W227-L230 PolarHBondContact O-N 3.13Å; V228-L230 PolarHBondContact O-N 2.66Å; L230-H232 VanDerWaalsContact C-N 3.33Å; L230-H232 PolarHBondContact O-N 2.94Å; L230-L233 PolarHBondContact O-N 3.27Å; L230-W234 HydrophobicContact CG-CE3 4.45Å; L230-W234 WeakPolarHBondContact O-CB 3.1Å; L230-W234 PolarHBondContact O-N 3.14Å
231R92.7Very high85.8Confident147 Ų14788 Ų8856%0.55541%0.413SS*.Hα-helixtrans-62.3-40.6177.5-72.8-177.374-176.44.6111.9W227 V228 R229 W234 K235W227-R231 WeakPolarHBondContact O-CG 3.19Å; W227-R231 PolarHBondContact O-N 3.34Å; V228-R231 PolarHBondContact O-N 3.43Å; R229-R231 PolarHBondContact O-N 3.45Å; R231-W234 PolarHBondContact O-N 2.71Å; R231-K235 WeakPolarHBondContact O-CG 3.23Å; R231-K235 PolarHBondContact O-N 3.36Å; R231-K235 VanDerWaalsContact O-N 3.15Å
232H93.6Very high83.8Confident118 Ų11885.3 Ų85.355%0.54642%0.416SS..Hα-helixtrans-60.5-53.2175.5175.682000110.9V228 R229 L230 W234 K235 T236V228-H232 PolarHBondContact O-N 2.84Å; R229-H232 WeakPolarHBondContact O-CB 3.45Å; R229-H232 PolarHBondContact O-N 3.24Å; L230-H232 VanDerWaalsContact C-N 3.33Å; L230-H232 PolarHBondContact O-N 2.94Å; H232-W234 VanDerWaalsContact C-N 3.26Å; H232-W234 PolarHBondContact O-N 2.75Å; H232-K235 PolarHBondContact O-N 2.71Å; H232-K235 VanDerWaalsContact O-N 3.13Å; H232-T236 PolarHBondContact O-N 2.97Å; H232-T236 PolarHBondContact O-OG1 3.27Å; H232-T236 VanDerWaalsContact O-OG1 3.14Å
233L91.7Very high81.4Confident51 Ų5188.9 Ų88.927%0.26744%0.436SS..Hα-helixtrans-60.4-35.4179.6-69.7172.3000112.7M186 L191 R229 L230 T236 K237M186-L233 HydrophobicContact CG-CD1 3.53Å; M186-L233 HydrophobicContact SD-CD1 3.68Å; L191-L233 HydrophobicContact CD1-CB 4.18Å; L191-L233 HydrophobicContact CD2-CB 4.13Å; L191-L233 HydrophobicContact CD2-CD1 4.26Å; R229-L233 HydrophobicContact CG-CD1 4.21Å; R229-L233 WeakPolarHBondContact O-CG 3.18Å; R229-L233 PolarHBondContact O-N 3.14Å; L230-L233 PolarHBondContact O-N 3.27Å; L233-T236 PolarHBondContact O-N 3.01Å; L233-K237 WeakPolarHBondContact O-CB 3.06Å; L233-K237 PolarHBondContact O-N 3.3Å
234W89.1Confident78.8Confident90 Ų9094.4 Ų94.434%0.34146%0.463SS..Hα-helixtrans-65.7-42.8176.7-148.9-34.8000112.1L191 A195 L230 R231 H232 K237 H238L191-W234 HydrophobicContact CD1-CB 4.37Å; A195-W234 HydrophobicContact CB-CZ3 4.19Å; L230-W234 HydrophobicContact CG-CE3 4.45Å; L230-W234 WeakPolarHBondContact O-CB 3.1Å; L230-W234 PolarHBondContact O-N 3.14Å; R231-W234 PolarHBondContact O-N 2.71Å; H232-W234 VanDerWaalsContact C-N 3.26Å; H232-W234 PolarHBondContact O-N 2.75Å; W234-K237 PolarHBondContact O-N 2.88Å; W234-H238 AromaticContact CD1-CD2 3.5Å; W234-H238 AromaticContact CD1-NE2 3.35Å; W234-H238 VanDerWaalsContact CD1-NE2 3.35Å; W234-H238 AromaticContact NE1-NE2 3.38Å; W234-H238 PolarHBondContact NE1-NE2 2.86Å; W234-H238 PolarHBondContact O-CD2 3.14Å; W234-H238 PolarHBondContact O-N 3.16Å
235K89.7Confident75.8Confident134 Ų13495.1 Ų95.158%0.58348%0.476SS*.Hα-helixtrans-63.3-43.9174.9-71.2179.4178.8-174.40111.2R231 H232 H238 K239R231-K235 WeakPolarHBondContact O-CG 3.23Å; R231-K235 PolarHBondContact O-N 3.36Å; R231-K235 VanDerWaalsContact O-N 3.15Å; H232-K235 PolarHBondContact O-N 2.71Å; H232-K235 VanDerWaalsContact O-N 3.13Å; K235-H238 PolarHBondContact O-N 2.88Å; K235-K239 PolarHBondContact O-N 3.28Å; K235-K239 VanDerWaalsContact O-N 3.16Å
236T87.6Confident72.7Confident57 Ų57100 Ų10035%0.3549%0.491SS..Hα-helixtrans-64.3-40178.6-54.50000111.9H232 L233 H238 K239 T240H232-T236 PolarHBondContact O-N 2.97Å; H232-T236 PolarHBondContact O-OG1 3.27Å; H232-T236 VanDerWaalsContact O-OG1 3.14Å; L233-T236 PolarHBondContact O-N 3.01Å; T236-H238 VanDerWaalsContact C-N 3.34Å; T236-H238 PolarHBondContact O-N 3.13Å; T236-K239 PolarHBondContact O-N 3.4Å; T236-T240 PolarHBondContact O-N 2.94Å; T236-T240 PolarHBondContact O-OG1 3.28Å
237K80Confident69.5Low103 Ų103104.1 Ų104.145%0.44852%0.522SS..Hα-helixtrans-61.5-40.4175.8-174.6169.8-174.2163.40112.5L191 L233 W234 T240 K241L191-K237 HydrophobicContact CD1-CD 4.07Å; L233-K237 WeakPolarHBondContact O-CB 3.06Å; L233-K237 PolarHBondContact O-N 3.3Å; W234-K237 PolarHBondContact O-N 2.88Å; K237-T240 PolarHBondContact O-N 3.13Å; K237-K241 WeakPolarHBondContact O-CB 3.02Å; K237-K241 PolarHBondContact O-N 3.36Å
238H67.4Low66.3Low123 Ų123108.2 Ų108.257%0.56955%0.549SS*.Hα-helixtrans-66.1-37.2175.8-76.7-58.9000112.5W234 K235 T236W234-H238 AromaticContact CD1-CD2 3.5Å; W234-H238 AromaticContact CD1-NE2 3.35Å; W234-H238 VanDerWaalsContact CD1-NE2 3.35Å; W234-H238 AromaticContact NE1-NE2 3.38Å; W234-H238 PolarHBondContact NE1-NE2 2.86Å; W234-H238 PolarHBondContact O-CD2 3.14Å; W234-H238 PolarHBondContact O-N 3.16Å; K235-H238 PolarHBondContact O-N 2.88Å; T236-H238 VanDerWaalsContact C-N 3.34Å; T236-H238 PolarHBondContact O-N 3.13Å
239K62.3Low63.1Low156 Ų156109.4 Ų109.468%0.67856%0.561SS**Hα-helixtrans-69.2-32.1172.5-67.7-177.2176.9-170.90113.4K235 T236 S242K235-K239 PolarHBondContact O-N 3.28Å; K235-K239 VanDerWaalsContact O-N 3.16Å; T236-K239 PolarHBondContact O-N 3.4Å; K239-S242 PolarHBondContact O-OG 3.37Å
240T57.3Low60.3Low70 Ų70111.5 Ų111.543%0.42958%0.582SS.*Hα-helixtrans-79.5-35.8-179.1-48.90000111.1T236 K237 S242 N243 L244T236-T240 PolarHBondContact O-N 2.94Å; T236-T240 PolarHBondContact O-OG1 3.28Å; K237-T240 PolarHBondContact O-N 3.13Å; T240-S242 PolarHBondContact O-N 2.89Å; T240-N243 PolarHBondContact O-N 2.77Å; T240-L244 HydrophobicContact CG2-CB 4.41Å; T240-L244 PolarHBondContact O-N 3.27Å
241K50.7Low57.4Low170 Ų170118.3 Ų118.374%0.73962%0.619SS**Hα-helixtrans-62.1-24.8175-107.7-168.4173-162.80113.4K237 N243K237-K241 WeakPolarHBondContact O-CB 3.02Å; K237-K241 PolarHBondContact O-N 3.36Å; K241-N243 VanDerWaalsContact C-N 3.28Å
242S48.7Very low54.5Low89 Ų89118.2 Ų118.262%0.62263%0.629SS**THydrogen-bonded Turntrans-75.5-17.3171.463.50000113.1K239 T240K239-S242 PolarHBondContact O-OG 3.37Å; T240-S242 PolarHBondContact O-N 2.89Å
243N41.8Very low51.8Low128 Ų128119.9 Ų119.968%0.68464%0.642SS**THydrogen-bonded Turntrans-123.6-14.6-164.3-70.410.9000116.5T240 K241T240-N243 PolarHBondContact O-N 2.77Å; K241-N243 VanDerWaalsContact C-N 3.28Å
244L37.7Very low49.4Very low129 Ų129120.9 Ų120.968%0.67565%0.648SS**  trans-141.9104.1-171.7-133.279.7000115T240T240-L244 HydrophobicContact CG2-CB 4.41Å; T240-L244 PolarHBondContact O-N 3.27Å
245S28.9Very low47Very low115 Ų115124.9 Ų124.980%0.80468%0.675SS**  trans-100.891.3157.1520000108.5
246I31.7Very low44.8Very low146 Ų146123.3 Ų123.375%0.74968%0.681SS**  trans-153.2138.9162.3-86.4127.4000108.8
247S28.3Very low42.3Very low108 Ų108125.6 Ų125.676%0.75569%0.69SS**  trans-65.5147.1-173.449.80000115.7
248L28.2Very low40.6Very low170 Ų170125.6 Ų125.689%0.8969%0.688SS**  trans-127.9124.8163.9-84.4158.8000109.3
249S27.9Very low39.7Very low114 Ų114123.7 Ų123.780%0.79769%0.687SS**  trans-92.6141.9170.551.10000110.2
250V37.2Very low39Very low122 Ų122121.9 Ų121.974%0.73968%0.681SS**  trans-122.8129.7-179.6177.90000109.2
251D32.7Very low38.4Very low145 Ų145120.4 Ų120.478%0.77567%0.671SS**  trans-77.2135.6-178.4-75-39.2000113.1
252N33Very low38.2Very low145 Ų145117.1 Ų117.178%0.77566%0.662SS**  trans-102.1100.5179.1-67-43.5000109.5
253N37.2Very low37.8Very low152 Ų152116.3 Ų116.381%0.81365%0.649SS**  trans179.990.5158.6-88.9-26.5000109.5
254L40.7Very low37.7Very low73 Ų73112.2 Ų112.238%0.38263%0.627SS.*  trans-14611.1-166.4-98.4121.7000118.3Y149 S256Y149-L254 HydrophobicContact CD1-CD2 3.83Å; Y149-L254 HydrophobicContact CD2-CD2 4.09Å; Y149-L254 HydrophobicContact CE1-CD2 3.64Å; Y149-L254 HydrophobicContact CE2-CB 4.25Å; Y149-L254 HydrophobicContact CE2-CD2 3.92Å; Y149-L254 HydrophobicContact CG-CD2 4.04Å; Y149-L254 PolarHBondContact OH-O 3.13Å; L254-S256 VanDerWaalsContact C-N 3.34Å
255L39.1Very low38Very low173 Ų173109.9 Ų109.991%0.90661%0.614SS**SBendtrans-81.7-12.1169.8-95.1157.9000113.5
256S41.8Very low38.7Very low102 Ų102110.7 Ų110.771%0.71361%0.61SS**SBendtrans-85-8.9-178.256.80000114.7L254L254-S256 VanDerWaalsContact C-N 3.34Å
257L37Very low39.1Very low105 Ų105109.1 Ų109.155%0.5559%0.594SS.*SBendtrans-93.3-17.5-166.7-12677000116.4
258Y43.9Very low39.5Very low102 Ų102111.3 Ų111.340%0.460%0.597SS.*  trans-14282.4-178.2-66.2-74.1000114.1H260 V261Y258-H260 PolarHBondContact O-N 3.23Å; Y258-H260 VanDerWaalsContact O-N 3.08Å; Y258-V261 PolarHBondContact O-N 3.22Å
259P48.5Very low40.1Very low84 Ų84108.4 Ų108.455%0.54558%0.582SS.*Hα-helixtrans-61.2-1617523.2-32.4000113.9V261 N262 M263P259-V261 VanDerWaalsContact C-N 3.27Å; P259-V261 PolarHBondContact O-N 3.22Å; P259-N262 WeakPolarHBondContact O-CB 2.93Å; P259-N262 PolarHBondContact O-N 2.91Å; P259-M263 PolarHBondContact O-N 3.33Å
260H47.1Very low40.7Very low118 Ų118108.1 Ų108.155%0.54657%0.571SS.*Hα-helixtrans-65.2-28.2-179.7-43-55.2000113.2Y258 M263 L264Y258-H260 PolarHBondContact O-N 3.23Å; Y258-H260 VanDerWaalsContact O-N 3.08Å; H260-M263 WeakPolarHBondContact O-CB 3.45Å; H260-M263 PolarHBondContact O-N 3.48Å; H260-L264 PolarHBondContact O-N 3.36Å
261V45.5Very low40.9Very low39 Ų39107.3 Ų107.324%0.23656%0.562CS.*Hα-helixtrans-69-41.6175.4-176.90000110.1Y258 P259 M263 L264 I265Y258-V261 PolarHBondContact O-N 3.22Å; P259-V261 VanDerWaalsContact C-N 3.27Å; P259-V261 PolarHBondContact O-N 3.22Å; V261-M263 VanDerWaalsContact C-N 3.3Å; V261-M263 PolarHBondContact O-N 3.46Å; V261-L264 PolarHBondContact O-N 3.46Å; V261-I265 PolarHBondContact O-N 3.34Å
262N45.3Very low41.4Very low100 Ų100105.1 Ų105.154%0.53555%0.549SS..Hα-helixtrans-63.4-35.2171.7-91-3.4000112.4P259 L264 I265 N266P259-N262 WeakPolarHBondContact O-CB 2.93Å; P259-N262 PolarHBondContact O-N 2.91Å; N262-L264 VanDerWaalsContact C-N 3.28Å; N262-L264 PolarHBondContact O-N 3.21Å; N262-I265 PolarHBondContact O-N 3.4Å; N262-N266 PolarHBondContact O-N 2.73Å; N262-N266 PolarHBondContact O-ND2 3.16Å
263M41.4Very low41.9Very low73 Ų73102.6 Ų102.636%0.3654%0.535SS..Hα-helixtrans-62.1-35.5177-169.6-170.568.900112.4W132 P259 H260 V261 R267W132-M263 HydrophobicContact CZ3-CE 4.48Å; P259-M263 PolarHBondContact O-N 3.33Å; H260-M263 WeakPolarHBondContact O-CB 3.45Å; H260-M263 PolarHBondContact O-N 3.48Å; V261-M263 VanDerWaalsContact C-N 3.3Å; V261-M263 PolarHBondContact O-N 3.46Å; M263-R267 VanDerWaalsContact O-CG 3.29Å; M263-R267 WeakPolarHBondContact O-CG 3.24Å; M263-R267 PolarHBondContact O-N 3.32Å
264L38.4Very low42.2Very low42 Ų4299.3 Ų99.322%0.2252%0.516CS..Hα-helixtrans-72.2-41.1176.5-77.9164.6000112W132 L136 H260 V261 N262 N266 R267 L268W132-L264 HydrophobicContact CE3-CD2 4.31Å; L136-L264 HydrophobicContact CD2-CD1 4.23Å; H260-L264 PolarHBondContact O-N 3.36Å; V261-L264 PolarHBondContact O-N 3.46Å; N262-L264 VanDerWaalsContact C-N 3.28Å; N262-L264 PolarHBondContact O-N 3.21Å; L264-N266 VanDerWaalsContact C-N 3.3Å; L264-N266 PolarHBondContact O-N 3.36Å; L264-R267 PolarHBondContact O-N 3.39Å; L264-R267 VanDerWaalsContact O-N 3.13Å; L264-L268 PolarHBondContact O-N 3.46Å
265I43.8Very low42.3Very low80 Ų80101.2 Ų101.241%0.4153%0.526SS..Hα-helixtrans-61-41.5177.2-65.3170000110.8F160 V261 N262 R267F160-I265 HydrophobicContact CZ-CD1 4.44Å; F160-I265 HydrophobicContact CZ-CG1 4.36Å; V261-I265 PolarHBondContact O-N 3.34Å; N262-I265 PolarHBondContact O-N 3.4Å; I265-R267 PolarHBondContact O-N 3.03Å
266N43.8Very low42.6Very low132 Ų13295.7 Ų95.771%0.70650%0.497SS*.THydrogen-bonded Turntrans-75.9-5.3179.3-69.2-24.1000114.3N262 L264N262-N266 PolarHBondContact O-N 2.73Å; N262-N266 PolarHBondContact O-ND2 3.16Å; L264-N266 VanDerWaalsContact C-N 3.3Å; L264-N266 PolarHBondContact O-N 3.36Å
267R41.3Very low42.6Very low112 Ų11295.2 Ų95.242%0.42348%0.479SS..THydrogen-bonded Turntrans-98.2-17.4177.8-80.7-179.6-178.4-158.62.9113.5M263 L264 I265M263-R267 VanDerWaalsContact O-CG 3.29Å; M263-R267 WeakPolarHBondContact O-CG 3.24Å; M263-R267 PolarHBondContact O-N 3.32Å; L264-R267 PolarHBondContact O-N 3.39Å; L264-R267 VanDerWaalsContact O-N 3.13Å; I265-R267 PolarHBondContact O-N 3.03Å
268L35.5Very low43.1Very low155 Ų15594.3 Ų94.381%0.81247%0.472SS*.  trans-81.90171.3-69.6172.4000110L264L264-L268 PolarHBondContact O-N 3.46Å

Retrieved 268 of 268 residues in 83.2 ms (Link to these results)

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