G4VCL1_SCHMA Loading...

Mitochondrial carnitine/acylcarnitine carrier protein-related

AlphaFold DB , UniProt , Accession G4VCL1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 302 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
1M32.8Very low53.2Low240 Ų240118.2 Ų118.2100%1.18269%0.692SS**  0102.20-104.9153.970.300106.2E3M1-E3 PolarHBondContact O-N 3.29Å; M1-E3 VanDerWaalsContact O-N 3.13Å
2S35.3Very low56.1Low123 Ų123115.9 Ų115.986%0.8667%0.673SS**  trans-56.9119178.9-173.10000107.8S4S2-S4 PolarHBondContact O-N 2.89Å; S2-S4 VanDerWaalsContact O-N 3.12Å
3E36.4Very low58.5Low177 Ų177107.8 Ų107.883%0.82763%0.625SS**  trans-48.1123.5161.9-68.2179.2151.700106.3M1 G5M1-E3 PolarHBondContact O-N 3.29Å; M1-E3 VanDerWaalsContact O-N 3.13Å; E3-G5 PolarHBondContact O-N 3.07Å
4S40.1Very low60.5Low117 Ų117102.9 Ų102.982%0.81860%0.6SS**  trans-65.975.7168.453.90000106.6S2 V6S2-S4 PolarHBondContact O-N 2.89Å; S2-S4 VanDerWaalsContact O-N 3.12Å; S4-V6 PolarHBondContact O-N 3.45Å
5G38.6Very low62.3Low58 Ų58104.4 Ų104.460%0.59860%0.597SS**  trans-56.2114.2169.600000105.6E3 Q7E3-G5 PolarHBondContact O-N 3.07Å; G5-Q7 VanDerWaalsContact C-N 3.31Å; G5-Q7 PolarHBondContact O-N 3.12Å
6V43.3Very low64.1Low98 Ų98102.9 Ų102.959%0.59459%0.586SS**  trans-51.3106.5165.61760000104.6S4 V8S4-V6 PolarHBondContact O-N 3.45Å; V6-V8 PolarHBondContact O-N 3.34Å
7Q51.2Low65.6Low162 Ų16296.9 Ų96.976%0.75755%0.551SS**  trans-62111.8175.6-75.8-143.9-7.100105.9G5 I9G5-Q7 VanDerWaalsContact C-N 3.31Å; G5-Q7 PolarHBondContact O-N 3.12Å; Q7-I9 VanDerWaalsContact C-N 3.31Å; Q7-I9 PolarHBondContact O-N 3.25Å
8V64.6Low66.9Low134 Ų13493.4 Ų93.481%0.81254%0.54SS*.  trans-65.499.8175179.60000105.6V6 S10V6-V8 PolarHBondContact O-N 3.34Å; V8-S10 PolarHBondContact O-N 2.7Å
9I74Confident68.2Low63 Ų6389.8 Ų89.832%0.32353%0.525SS..  trans-60.6128.4177.9-58.8166.5000107.2Q7 K13 S14 L292Q7-I9 VanDerWaalsContact C-N 3.31Å; Q7-I9 PolarHBondContact O-N 3.25Å; I9-K13 HydrophobicContact CG2-CB 3.99Å; I9-S14 VanDerWaalsContact CG2-OG 3.26Å; I9-S14 WeakPolarHBondContact CG2-OG 3.14Å; I9-L292 HydrophobicContact CD1-CD1 4.43Å; I9-L292 HydrophobicContact CD1-CD2 3.73Å; I9-L292 HydrophobicContact CG2-CD1 3.58Å
10S84.8Confident69.4Low20 Ų2090.5 Ų90.514%0.1452%0.522CS..  trans-53.3137.4176.8165.90000111V8 I12 K13 S14 L302V8-S10 PolarHBondContact O-N 2.7Å; S10-I12 PolarHBondContact O-N 3.11Å; S10-I12 VanDerWaalsContact O-N 3.17Å; S10-I12 PolarHBondContact OG-N 3.22Å; S10-K13 PolarHBondContact O-N 3.47Å; S10-K13 VanDerWaalsContact O-N 3.11Å; S10-S14 PolarHBondContact O-N 3.46Å; S10-S14 PolarHBondContact O-OG 3.15Å; S10-L302 VanDerWaalsContact CB-C 3.45Å; S10-L302 WeakPolarHBondContact CB-O 3.18Å; S10-L302 WeakPolarHBondContact CB-OXT 3.27Å; S10-L302 PolarHBondContact OG-O 2.84Å; S10-L302 PolarHBondContact OG-OXT 3.12Å
11P84.2Confident70.5Confident108 Ų10886.2 Ų86.270%0.70150%0.497SS*.Hα-helixtrans-54.6-33.8175.7-26.934.6000112.8F15P11-F15 WeakPolarHBondContact O-CB 3.23Å; P11-F15 PolarHBondContact O-N 2.94Å
12I87.8Confident73.3Confident91 Ų9175 Ų7547%0.46744%0.444SS..Hα-helixtrans-69.7-46.6178.6-59174.8000110S10 S14 F15 L16 L302S10-I12 PolarHBondContact O-N 3.11Å; S10-I12 VanDerWaalsContact O-N 3.17Å; S10-I12 PolarHBondContact OG-N 3.22Å; I12-S14 VanDerWaalsContact C-N 3.31Å; I12-S14 PolarHBondContact O-N 2.97Å; I12-F15 PolarHBondContact O-N 3.42Å; I12-L16 HydrophobicContact CG2-CD1 4.11Å; I12-L16 HydrophobicContact CG2-CG 4.43Å; I12-L16 WeakPolarHBondContact O-CG 3.41Å; I12-L16 PolarHBondContact O-N 2.76Å; I12-L302 HydrophobicContact CB-CG 4.32Å; I12-L302 HydrophobicContact CD1-CD1 4.42Å; I12-L302 HydrophobicContact CG2-CD1 4.21Å; I12-L302 HydrophobicContact CG2-CD2 3.9Å; I12-L302 HydrophobicContact CG2-CG 4.09Å
13K88Confident76.1Confident10 Ų1070.5 Ų70.54%0.04341%0.414CS..Hα-helixtrans-58.7-45.1175.2-70.8-178.3176.8177.40111.4I9 S10 F15 L16 A17 L292 L295 D296 F299 P300 L302I9-K13 HydrophobicContact CG2-CB 3.99Å; S10-K13 PolarHBondContact O-N 3.47Å; S10-K13 VanDerWaalsContact O-N 3.11Å; K13-F15 VanDerWaalsContact C-N 3.33Å; K13-F15 PolarHBondContact O-N 3.44Å; K13-L16 PolarHBondContact O-N 3.43Å; K13-A17 WeakPolarHBondContact O-CB 3.42Å; K13-A17 PolarHBondContact O-N 3.39Å; K13-L292 HydrophobicContact CB-CD1 4.31Å; K13-L295 HydrophobicContact CB-CD1 4.34Å; K13-L295 HydrophobicContact CD-CB 4.47Å; K13-L295 HydrophobicContact CG-CB 4.24Å; K13-D296 WeakPolarHBondContact CD-OD1 3.39Å; K13-D296 IonicContact NZ-OD1 2.77Å; K13-D296 PolarHBondContact NZ-OD1 3.37Å; K13-F299 WeakPolarHBondContact CE-O 3.45Å; K13-F299 PolarHBondContact NZ-O 3.19Å; K13-F299 VanDerWaalsContact NZ-O 3.11Å; K13-P300 PolarHBondContact NZ-O 3.01Å; K13-P300 VanDerWaalsContact NZ-O 3.15Å; K13-L302 WeakPolarHBondContact CE-O 3.32Å; K13-L302 HydrophobicContact CG-CB 4.27Å; K13-L302 HydrophobicContact CG-CD2 3.98Å; K13-L302 HydrophobicContact CG-CG 4.29Å
14S85.7Confident78.9Confident40 Ų4063.6 Ų63.628%0.2839%0.385SS..Hα-helixtrans-60.7-41.6177-600000112.1I9 S10 I12 G18I9-S14 VanDerWaalsContact CG2-OG 3.26Å; I9-S14 WeakPolarHBondContact CG2-OG 3.14Å; S10-S14 PolarHBondContact O-N 3.46Å; S10-S14 PolarHBondContact O-OG 3.15Å; I12-S14 VanDerWaalsContact C-N 3.31Å; I12-S14 PolarHBondContact O-N 2.97Å; S14-G18 WeakPolarHBondContact O-CA 3.37Å; S14-G18 PolarHBondContact O-N 3.22Å
15F87.4Confident81.4Confident125 Ų12559 Ų5955%0.54835%0.352SS..Hα-helixtrans-65.4-47176.8177.8-98.3000112.2P11 I12 K13 G18 G19 A84P11-F15 WeakPolarHBondContact O-CB 3.23Å; P11-F15 PolarHBondContact O-N 2.94Å; I12-F15 PolarHBondContact O-N 3.42Å; K13-F15 VanDerWaalsContact C-N 3.33Å; K13-F15 PolarHBondContact O-N 3.44Å; F15-G18 PolarHBondContact O-N 2.86Å; F15-G19 PolarHBondContact O-N 3.28Å; F15-A84 HydrophobicContact CE2-CB 4.06Å; F15-A84 HydrophobicContact CZ-CB 3.86Å
16L91Very high84.1Confident81 Ų8157.6 Ų57.642%0.42433%0.331SS..Hα-helixtrans-66.4-47.1179.3-68.5176.9000111.8I12 K13 G18 G19 F20 L295 L302I12-L16 HydrophobicContact CG2-CD1 4.11Å; I12-L16 HydrophobicContact CG2-CG 4.43Å; I12-L16 WeakPolarHBondContact O-CG 3.41Å; I12-L16 PolarHBondContact O-N 2.76Å; K13-L16 PolarHBondContact O-N 3.43Å; L16-G18 VanDerWaalsContact C-N 3.33Å; L16-G18 PolarHBondContact O-N 2.96Å; L16-G19 PolarHBondContact O-N 2.88Å; L16-F20 PolarHBondContact O-N 3.12Å; L16-L295 HydrophobicContact CB-CD1 3.82Å; L16-L295 HydrophobicContact CD1-CD1 4.43Å; L16-L295 HydrophobicContact CD1-CD2 4.28Å; L16-L302 HydrophobicContact CD1-CD2 4.28Å
17A90.6Very high86.6Confident0 Ų054.6 Ų54.60%032%0.316CS..Hα-helixtrans-63.2-40.6176.400000111.5K13 F20 G21 Y288 A291 L292 L295K13-A17 WeakPolarHBondContact O-CB 3.42Å; K13-A17 PolarHBondContact O-N 3.39Å; A17-F20 PolarHBondContact O-N 3.43Å; A17-G21 PolarHBondContact O-N 3.32Å; A17-Y288 HydrophobicContact CB-CD2 3.73Å; A17-Y288 HydrophobicContact CB-CE2 3.8Å; A17-Y288 HydrophobicContact CB-CG 4.49Å; A17-A291 HydrophobicContact CB-CB 3.97Å; A17-L292 HydrophobicContact CB-CB 4.14Å; A17-L295 HydrophobicContact CB-CD1 4.42Å
18G88.2Confident88.7Confident34 Ų3450.5 Ų50.535%0.35130%0.299SS..Hα-helixtrans-62.8-43.5174.100000112.6S14 F15 L16 G21 G22S14-G18 WeakPolarHBondContact O-CA 3.37Å; S14-G18 PolarHBondContact O-N 3.22Å; F15-G18 PolarHBondContact O-N 2.86Å; L16-G18 VanDerWaalsContact C-N 3.33Å; L16-G18 PolarHBondContact O-N 2.96Å; G18-G21 PolarHBondContact O-N 3.03Å; G18-G22 PolarHBondContact O-N 3.08Å
19G91.2Very high90.1Very high25 Ų2544.1 Ų44.126%0.25826%0.26SS..Hα-helixtrans-61-45.2175.200000112.4F15 L16 G22 A23F15-G19 PolarHBondContact O-N 3.28Å; L16-G19 PolarHBondContact O-N 2.88Å; G19-G22 PolarHBondContact O-N 3.37Å; G19-A23 PolarHBondContact O-N 3.32Å
20F93Very high91.2Very high103 Ų10341.2 Ų41.245%0.45225%0.245SC..Hα-helixtrans-67.2-43.3176.9-174.8-101.7000112.4L16 A17 G22 A23 C24 G287 A291L16-F20 PolarHBondContact O-N 3.12Å; A17-F20 PolarHBondContact O-N 3.43Å; F20-G22 VanDerWaalsContact C-N 3.3Å; F20-G22 PolarHBondContact O-N 3.46Å; F20-A23 WeakPolarHBondContact O-CB 3.44Å; F20-A23 PolarHBondContact O-N 3.22Å; F20-A23 VanDerWaalsContact O-N 3.12Å; F20-C24 PolarHBondContact O-N 3.03Å; F20-C24 PolarHBondContact O-SG 2.73Å; F20-G287 VanDerWaalsContact CD1-O 3.32Å; F20-G287 WeakPolarHBondContact CD1-O 3.39Å; F20-A291 HydrophobicContact CB-CB 4.01Å; F20-A291 HydrophobicContact CD1-CB 3.69Å; F20-A291 HydrophobicContact CG-CB 4.11Å
21G92.1Very high91.7Very high1 Ų141.2 Ų41.21%0.0125%0.245CC..Hα-helixtrans-56-45171.900000111.9A17 G18 A23 C24 C25 C284A17-G21 PolarHBondContact O-N 3.32Å; G18-G21 PolarHBondContact O-N 3.03Å; G21-A23 VanDerWaalsContact C-N 3.35Å; G21-A23 PolarHBondContact O-N 3.21Å; G21-C24 PolarHBondContact O-N 3.29Å; G21-C25 WeakPolarHBondContact O-CB 3.2Å; G21-C25 PolarHBondContact O-N 3.47Å; G21-C284 WeakPolarHBondContact CA-O 3.31Å; G21-C284 WeakPolarHBondContact O-CA 3.34Å
22G91.9Very high92.3Very high5 Ų538.6 Ų38.65%0.05222%0.223CC..Hα-helixtrans-61.5-38.9174.600000113.4G18 G19 F20 C25 I26G18-G22 PolarHBondContact O-N 3.08Å; G19-G22 PolarHBondContact O-N 3.37Å; F20-G22 VanDerWaalsContact C-N 3.3Å; F20-G22 PolarHBondContact O-N 3.46Å; G22-C25 WeakPolarHBondContact O-CB 3.35Å; G22-C25 PolarHBondContact O-N 3.42Å; G22-I26 WeakPolarHBondContact O-CG1 3.09Å; G22-I26 PolarHBondContact O-N 3.46Å; G22-I26 VanDerWaalsContact O-N 3.09Å
23A94Very high92.7Very high29 Ų2934.8 Ų34.824%0.2420%0.203CC..Hα-helixtrans-64.3-43.4174.200000112.1G19 F20 G21 I26 A27G19-A23 PolarHBondContact O-N 3.32Å; F20-A23 WeakPolarHBondContact O-CB 3.44Å; F20-A23 PolarHBondContact O-N 3.22Å; F20-A23 VanDerWaalsContact O-N 3.12Å; G21-A23 VanDerWaalsContact C-N 3.35Å; G21-A23 PolarHBondContact O-N 3.21Å; A23-I26 PolarHBondContact O-N 3.22Å; A23-A27 WeakPolarHBondContact O-CB 3.39Å; A23-A27 PolarHBondContact O-N 3.3Å
24C94.8Very high93Very high31 Ų3134.3 Ų34.321%0.20920%0.201CC..Hα-helixtrans-62.2-42174.8-70.90000112.4F20 G21 I26 A27 I28 A283F20-C24 PolarHBondContact O-N 3.03Å; F20-C24 PolarHBondContact O-SG 2.73Å; G21-C24 PolarHBondContact O-N 3.29Å; C24-I26 VanDerWaalsContact C-N 3.3Å; C24-I26 PolarHBondContact O-N 2.82Å; C24-A27 PolarHBondContact O-N 3.17Å; C24-I28 PolarHBondContact O-N 2.94Å; C24-A283 HydrophobicContact CB-CB 4.47Å; C24-A283 WeakPolarHBondContact CB-O 3.41Å
25C93.3Very high93.6Very high21 Ų2132.6 Ų32.614%0.14219%0.189CC..Hα-helixtrans-55.5-46.5174.1-175.60000111.4G21 G22 G29 C284G21-C25 WeakPolarHBondContact O-CB 3.2Å; G21-C25 PolarHBondContact O-N 3.47Å; G22-C25 WeakPolarHBondContact O-CB 3.35Å; G22-C25 PolarHBondContact O-N 3.42Å; C25-G29 WeakPolarHBondContact O-CA 3.41Å; C25-G29 PolarHBondContact O-N 3.5Å; C25-C284 HydrophobicContact CB-CB 3.71Å
26I94.4Very high94Very high29 Ų2926.8 Ų26.815%0.14916%0.163CC..Hα-helixtrans-68.3-45.7178-69173000110.9G22 A23 C24 I28 G29 H30 M76 P79 I80 V83G22-I26 WeakPolarHBondContact O-CG1 3.09Å; G22-I26 PolarHBondContact O-N 3.46Å; G22-I26 VanDerWaalsContact O-N 3.09Å; A23-I26 PolarHBondContact O-N 3.22Å; C24-I26 VanDerWaalsContact C-N 3.3Å; C24-I26 PolarHBondContact O-N 2.82Å; I26-I28 PolarHBondContact O-N 3.34Å; I26-G29 PolarHBondContact O-N 3.02Å; I26-H30 HydrophobicContact CG2-CB 4.32Å; I26-H30 WeakPolarHBondContact O-CB 3.24Å; I26-H30 PolarHBondContact O-N 2.73Å; I26-M76 HydrophobicContact CG2-CG 3.65Å; I26-M76 HydrophobicContact CG2-SD 4.23Å; I26-P79 VanDerWaalsContact CD1-C 3.44Å; I26-P79 HydrophobicContact CD1-CB 3.72Å; I26-P79 VanDerWaalsContact CD1-O 3.3Å; I26-P79 WeakPolarHBondContact CD1-O 3.46Å; I26-P79 HydrophobicContact CG1-CB 4.39Å; I26-P79 HydrophobicContact CG2-CB 3.98Å; I26-I80 HydrophobicContact CB-CG1 4.34Å; I26-I80 HydrophobicContact CD1-CG1 4.47Å; I26-I80 HydrophobicContact CG2-CD1 4.49Å; I26-I80 HydrophobicContact CG2-CG1 3.76Å; I26-V83 HydrophobicContact CD1-CG2 3.17Å; I26-V83 HydrophobicContact CG1-CG2 4.35Å
27A95.3Very high94.2Very high35 Ų3523.1 Ų23.129%0.28914%0.144SC..Hα-helixtrans-56.3-39.9-179.500000112.2A23 C24 Y73A23-A27 WeakPolarHBondContact O-CB 3.39Å; A23-A27 PolarHBondContact O-N 3.3Å; C24-A27 PolarHBondContact O-N 3.17Å; A27-Y73 VanDerWaalsContact O-CE1 3.28Å; A27-Y73 WeakPolarHBondContact O-CE1 3.34Å
28I95.7Very high94.4Very high76 Ų7623.2 Ų23.239%0.3915%0.145SC..Hα-helixtrans-83.4-34.6177.3-62.4-54.5000112.3C24 I26 F32 P279 A283C24-I28 PolarHBondContact O-N 2.94Å; I26-I28 PolarHBondContact O-N 3.34Å; I28-F32 WeakPolarHBondContact O-CD2 3.43Å; I28-F32 WeakPolarHBondContact O-CE2 3.29Å; I28-P279 HydrophobicContact CG2-CB 3.73Å; I28-A283 HydrophobicContact CB-CB 3.81Å; I28-A283 HydrophobicContact CG1-CB 3.5Å; I28-A283 HydrophobicContact CG2-CB 4.29Å
29G95.4Very high94.7Very high0 Ų022 Ų220%013%0.13CC..Hα-helixtrans-79.7-26.9-176.900000114.8C25 I26 F32 D33 R276C25-G29 WeakPolarHBondContact O-CA 3.41Å; C25-G29 PolarHBondContact O-N 3.5Å; I26-G29 PolarHBondContact O-N 3.02Å; G29-F32 WeakPolarHBondContact O-CB 3.36Å; G29-F32 PolarHBondContact O-N 3.12Å; G29-F32 VanDerWaalsContact O-N 3.15Å; G29-D33 PolarHBondContact O-N 3.41Å; G29-D33 VanDerWaalsContact O-N 3.15Å; G29-R276 WeakPolarHBondContact O-CD 2.98Å
30H95.4Very high94.8Very high1 Ų120.9 Ų20.91%0.00512%0.118CC..Hα-helixtrans-65.2-37.4-170.1-165.788.7000114.3I26 F32 D33 T34 L72 K74 M76 Q139I26-H30 HydrophobicContact CG2-CB 4.32Å; I26-H30 WeakPolarHBondContact O-CB 3.24Å; I26-H30 PolarHBondContact O-N 2.73Å; H30-F32 VanDerWaalsContact C-N 3.27Å; H30-F32 PolarHBondContact O-N 3.33Å; H30-D33 WeakPolarHBondContact O-CB 3.41Å; H30-D33 PolarHBondContact O-N 2.96Å; H30-D33 VanDerWaalsContact O-N 3.1Å; H30-T34 PolarHBondContact O-N 3.49Å; H30-T34 PolarHBondContact O-OG1 3.02Å; H30-L72 PolarHBondContact CD2-O 3.39Å; H30-K74 PolarHBondContact NE2-O 3.2Å; H30-M76 HydrophobicContact CB-CG 4.11Å; H30-M76 HydrophobicContact CB-SD 4.17Å; H30-M76 WeakPolarHBondContact CE1-CA 3.45Å; H30-M76 PolarHBondContact CE1-N 2.77Å; H30-M76 VanDerWaalsContact CE1-N 3.31Å; H30-M76 PolarHBondContact NE2-N 2.99Å; H30-Q139 PolarHBondContact CE1-NE2 2.85Å; H30-Q139 PolarHBondContact NE2-NE2 3.22Å
31P97Very high94.7Very high20 Ų2017 Ų1713%0.1310%0.102CC..Hα-helixtrans-53.6-43.1171.1-30.538.1000113.3T34 I35 L72 Y73P31-T34 PolarHBondContact O-N 2.9Å; P31-I35 WeakPolarHBondContact O-CG1 3.37Å; P31-I35 PolarHBondContact O-N 3.25Å; P31-I35 VanDerWaalsContact O-N 3.17Å; P31-L72 HydrophobicContact CB-CB 4.01Å; P31-L72 HydrophobicContact CB-CD1 4.42Å; P31-L72 HydrophobicContact CG-CB 4.36Å; P31-Y73 HydrophobicContact CG-CD1 4.46Å; P31-Y73 HydrophobicContact CG-CE1 3.82Å; P31-Y73 HydrophobicContact CG-CE2 3.98Å
32F96.5Very high94.6Very high54 Ų5417.1 Ų17.124%0.23710%0.103CC..Hα-helixtrans-66.7-40177.1-59-92.8000111.7I28 G29 H30 T34 I35 K36 P272 L275 R276 P279I28-F32 WeakPolarHBondContact O-CD2 3.43Å; I28-F32 WeakPolarHBondContact O-CE2 3.29Å; G29-F32 WeakPolarHBondContact O-CB 3.36Å; G29-F32 PolarHBondContact O-N 3.12Å; G29-F32 VanDerWaalsContact O-N 3.15Å; H30-F32 VanDerWaalsContact C-N 3.27Å; H30-F32 PolarHBondContact O-N 3.33Å; F32-T34 VanDerWaalsContact C-N 3.3Å; F32-T34 PolarHBondContact O-N 3Å; F32-I35 PolarHBondContact O-N 2.87Å; F32-K36 WeakPolarHBondContact O-CB 3.38Å; F32-K36 PolarHBondContact O-N 3.06Å; F32-P272 HydrophobicContact CB-CB 4.39Å; F32-L275 HydrophobicContact CD1-CB 3.96Å; F32-L275 HydrophobicContact CE1-CB 3.74Å; F32-R276 HydrophobicContact CB-CB 3.62Å; F32-R276 HydrophobicContact CB-CG 3.68Å; F32-R276 HydrophobicContact CD1-CB 4.14Å; F32-R276 HydrophobicContact CD2-CB 4.09Å; F32-R276 HydrophobicContact CD2-CG 3.85Å; F32-R276 HydrophobicContact CG-CB 3.69Å; F32-R276 HydrophobicContact CG-CG 3.86Å; F32-P279 HydrophobicContact CZ-CG 4.49Å
33D94.9Very high94.2Very high11 Ų1120.6 Ų20.66%0.05913%0.125CC..Hα-helixtrans-60.7-40.5175.4-732.5000111.4G29 H30 K36 V37 K135 R276G29-D33 PolarHBondContact O-N 3.41Å; G29-D33 VanDerWaalsContact O-N 3.15Å; H30-D33 WeakPolarHBondContact O-CB 3.41Å; H30-D33 PolarHBondContact O-N 2.96Å; H30-D33 VanDerWaalsContact O-N 3.1Å; D33-K36 WeakPolarHBondContact O-CB 3.48Å; D33-K36 PolarHBondContact O-N 2.81Å; D33-V37 WeakPolarHBondContact O-CG2 3.31Å; D33-V37 PolarHBondContact O-N 3.44Å; D33-K135 IonicContact OD2-NZ 2.7Å; D33-K135 PolarHBondContact OD2-NZ 3.34Å; D33-R276 WeakPolarHBondContact OD1-CD 3.18Å; D33-R276 IonicContact OD1-CZ 2.8Å; D33-R276 IonicContact OD1-NE 3.62Å; D33-R276 IonicContact OD1-NH1 2.89Å; D33-R276 PolarHBondContact OD1-NH1 2.59Å; D33-R276 IonicContact OD2-NH1 2.69Å; D33-R276 PolarHBondContact OD2-NH1 3.24Å
34T95.8Very high93.4Very high0 Ų021.4 Ų21.40%012%0.124CC..Hα-helixtrans-63.8-45.7178.6-61.80000111.1H30 P31 F32 V37 R38 L72 Q139H30-T34 PolarHBondContact O-N 3.49Å; H30-T34 PolarHBondContact O-OG1 3.02Å; P31-T34 PolarHBondContact O-N 2.9Å; F32-T34 VanDerWaalsContact C-N 3.3Å; F32-T34 PolarHBondContact O-N 3Å; T34-V37 PolarHBondContact O-N 3.46Å; T34-R38 WeakPolarHBondContact O-CG 3.42Å; T34-R38 PolarHBondContact O-N 2.62Å; T34-L72 WeakPolarHBondContact CB-O 3.46Å; T34-L72 PolarHBondContact OG1-O 3.25Å; T34-Q139 HydrophobicContact CG2-CB 4.33Å; T34-Q139 HydrophobicContact CG2-CG 4.29Å; T34-Q139 VanDerWaalsContact N-NE2 3.19Å; T34-Q139 PolarHBondContact OG1-NE2 3.16Å
35I96.7Very high92.4Very high4 Ų423.6 Ų23.62%0.02114%0.135CC..Hα-helixtrans-65-41.4176.8-61-58.7000111.5P31 F32 R38 L39 T56 C59 V60 L72 P272P31-I35 WeakPolarHBondContact O-CG1 3.37Å; P31-I35 PolarHBondContact O-N 3.25Å; P31-I35 VanDerWaalsContact O-N 3.17Å; F32-I35 PolarHBondContact O-N 2.87Å; I35-R38 PolarHBondContact O-N 2.82Å; I35-L39 HydrophobicContact CG2-CD1 4.05Å; I35-L39 HydrophobicContact CG2-CG 4.4Å; I35-L39 WeakPolarHBondContact O-CB 3.41Å; I35-L39 VanDerWaalsContact O-CG 3.29Å; I35-L39 WeakPolarHBondContact O-CG 3.42Å; I35-L39 PolarHBondContact O-N 3.38Å; I35-T56 HydrophobicContact CG2-CG2 3.78Å; I35-C59 HydrophobicContact CD1-CB 4.36Å; I35-C59 HydrophobicContact CG2-CB 4.03Å; I35-V60 HydrophobicContact CD1-CB 4.33Å; I35-V60 HydrophobicContact CD1-CG2 3.72Å; I35-V60 HydrophobicContact CG1-CG2 3.7Å; I35-V60 HydrophobicContact CG2-CG2 4.4Å; I35-L72 HydrophobicContact CD1-CD2 3.69Å; I35-L72 HydrophobicContact CG1-CD2 4.06Å; I35-P272 HydrophobicContact CB-CB 4.44Å; I35-P272 HydrophobicContact CG2-CB 4.32Å; I35-P272 HydrophobicContact CG2-CG 4.38Å
36K96Very high91.4Very high2 Ų227.7 Ų27.71%0.00916%0.16CC..Hα-helixtrans-54.6-55.7173.7179.1-159.572169.40110.6F32 D33 R38 L39 Q40 D232 P272 V273F32-K36 WeakPolarHBondContact O-CB 3.38Å; F32-K36 PolarHBondContact O-N 3.06Å; D33-K36 WeakPolarHBondContact O-CB 3.48Å; D33-K36 PolarHBondContact O-N 2.81Å; K36-R38 PolarHBondContact O-N 3.44Å; K36-L39 PolarHBondContact O-N 2.86Å; K36-Q40 HydrophobicContact CG-CG 4.39Å; K36-Q40 VanDerWaalsContact O-CG 3.25Å; K36-Q40 WeakPolarHBondContact O-CG 3.26Å; K36-Q40 PolarHBondContact O-N 3.45Å; K36-D232 VanDerWaalsContact CE-OD2 3.3Å; K36-D232 WeakPolarHBondContact CE-OD2 3.46Å; K36-D232 IonicContact NZ-OD1 3.27Å; K36-D232 IonicContact NZ-OD2 3.58Å; K36-D232 PolarHBondContact NZ-OD2 3.19Å; K36-P272 HydrophobicContact CB-CB 4.37Å; K36-P272 HydrophobicContact CB-CG 3.82Å; K36-V273 HydrophobicContact CB-CG2 4.4Å; K36-V273 HydrophobicContact CD-CG2 3.31Å; K36-V273 HydrophobicContact CG-CG2 3.84Å
37V95.4Very high90Very high4 Ų432.3 Ų32.32%0.02420%0.195CC..Hα-helixtrans-62.1-44.8-176.2170.60000110.7D33 T34 L39 Q40 T41 Q139 V140D33-V37 WeakPolarHBondContact O-CG2 3.31Å; D33-V37 PolarHBondContact O-N 3.44Å; T34-V37 PolarHBondContact O-N 3.46Å; V37-L39 VanDerWaalsContact C-N 3.32Å; V37-L39 PolarHBondContact O-N 2.83Å; V37-Q40 WeakPolarHBondContact O-CB 3.43Å; V37-Q40 PolarHBondContact O-N 2.98Å; V37-T41 HydrophobicContact CG1-CG2 4.12Å; V37-T41 WeakPolarHBondContact O-CG2 3.37Å; V37-T41 PolarHBondContact O-N 3.25Å; V37-T41 PolarHBondContact O-OG1 2.84Å; V37-Q139 HydrophobicContact CB-CB 4.29Å; V37-Q139 HydrophobicContact CG1-CB 4.13Å; V37-V140 HydrophobicContact CG1-CG2 3.57Å
38R94.9Very high88.9Confident3 Ų334.9 Ų34.91%0.01123%0.225CC..Hα-helixtrans-58.3-40.7175.9-73.9-178.4177.3-152.1-5.7113.3T34 I35 K36 Q40 M42 Y53 T63 D67 Q139 Q141T34-R38 WeakPolarHBondContact O-CG 3.42Å; T34-R38 PolarHBondContact O-N 2.62Å; I35-R38 PolarHBondContact O-N 2.82Å; K36-R38 PolarHBondContact O-N 3.44Å; R38-Q40 VanDerWaalsContact C-N 3.35Å; R38-M42 WeakPolarHBondContact O-CB 3.48Å; R38-M42 PolarHBondContact O-N 3.27Å; R38-Y53 HydrophobicContact CB-CE2 4.04Å; R38-T63 VanDerWaalsContact NH1-CB 3.31Å; R38-T63 PolarHBondContact NH1-OG1 3.01Å; R38-D67 IonicContact CZ-OD2 3.8Å; R38-D67 IonicContact NH1-OD2 2.78Å; R38-D67 PolarHBondContact NH1-OD2 2.91Å; R38-D67 IonicContact NH2-OD2 3.87Å; R38-D67 PolarHBondContact NH2-OD2 3.2Å; R38-Q139 PolarHBondContact NE-O 3.34Å; R38-Q139 PolarHBondContact NH2-O 3.25Å; R38-Q141 PolarHBondContact NH2-O 3.4Å
39L94.1Very high87.9Confident9 Ų933.8 Ų33.85%0.04723%0.227CC..Hα-helixtrans-69.6-32.1174.8-71.4175.3000112.6I35 K36 V37 M42 Y53 C59 R268 P272I35-L39 HydrophobicContact CG2-CD1 4.05Å; I35-L39 HydrophobicContact CG2-CG 4.4Å; I35-L39 WeakPolarHBondContact O-CB 3.41Å; I35-L39 VanDerWaalsContact O-CG 3.29Å; I35-L39 WeakPolarHBondContact O-CG 3.42Å; I35-L39 PolarHBondContact O-N 3.38Å; K36-L39 PolarHBondContact O-N 2.86Å; V37-L39 VanDerWaalsContact C-N 3.32Å; V37-L39 PolarHBondContact O-N 2.83Å; L39-M42 VanDerWaalsContact O-CG 3.31Å; L39-M42 WeakPolarHBondContact O-CG 3.32Å; L39-Y53 HydrophobicContact CD2-CD2 4.46Å; L39-Y53 HydrophobicContact CD2-CG 4.43Å; L39-C59 HydrophobicContact CD2-CB 3.97Å; L39-C59 HydrophobicContact CG-CB 4.28Å; L39-R268 WeakPolarHBondContact O-CD 3.27Å; L39-R268 WeakPolarHBondContact O-CG 3.19Å; L39-R268 PolarHBondContact O-NE 2.65Å; L39-R268 VanDerWaalsContact O-NE 3.11Å; L39-P272 HydrophobicContact CD1-CG 4.27Å
40Q93.6Very high87.3Confident0 Ų039 Ų390%026%0.259CS..Hα-helixtrans-74.9-32178.6-72.8177.2-20.800112.6K36 V37 R38 D232 V233 S236 R237 R268K36-Q40 HydrophobicContact CG-CG 4.39Å; K36-Q40 VanDerWaalsContact O-CG 3.25Å; K36-Q40 WeakPolarHBondContact O-CG 3.26Å; K36-Q40 PolarHBondContact O-N 3.45Å; V37-Q40 WeakPolarHBondContact O-CB 3.43Å; V37-Q40 PolarHBondContact O-N 2.98Å; R38-Q40 VanDerWaalsContact C-N 3.35Å; Q40-D232 PolarHBondContact NE2-OD2 2.69Å; Q40-V233 HydrophobicContact CG-CG2 3.99Å; Q40-S236 PolarHBondContact OE1-OG 3.32Å; Q40-R237 VanDerWaalsContact O-CG 3.3Å; Q40-R237 WeakPolarHBondContact O-CG 3.41Å; Q40-R237 PolarHBondContact O-NE 3.11Å; Q40-R237 PolarHBondContact O-NH2 3.21Å; Q40-R268 WeakPolarHBondContact CG-O 3.35Å; Q40-R268 PolarHBondContact NE2-O 3.11Å
41T91.6Very high86.8Confident21 Ų2140.2 Ų40.213%0.12927%0.267CS..Hα-helixtrans-106.91.2-172.866.10000114V37 V140 S236 S240V37-T41 HydrophobicContact CG1-CG2 4.12Å; V37-T41 WeakPolarHBondContact O-CG2 3.37Å; V37-T41 PolarHBondContact O-N 3.25Å; V37-T41 PolarHBondContact O-OG1 2.84Å; T41-V140 HydrophobicContact CG2-CG2 3.91Å; T41-V140 WeakPolarHBondContact OG1-CG2 3.33Å; T41-S236 WeakPolarHBondContact CG2-O 3.3Å; T41-S240 WeakPolarHBondContact CB-OG 3.47Å; T41-S240 VanDerWaalsContact CG2-OG 3.27Å; T41-S240 WeakPolarHBondContact CG2-OG 3.3Å
42M88.9Confident86.3Confident5 Ų542.8 Ų42.83%0.02528%0.278CS..SBendtrans-58.8143.3176.850.9170.6-9400110.7R38 L39 P51 M52 Y53 R268R38-M42 WeakPolarHBondContact O-CB 3.48Å; R38-M42 PolarHBondContact O-N 3.27Å; L39-M42 VanDerWaalsContact O-CG 3.31Å; L39-M42 WeakPolarHBondContact O-CG 3.32Å; M42-P51 HydrophobicContact CE-CB 4.46Å; M42-M52 HydrophobicContact CB-CB 4.36Å; M42-M52 HydrophobicContact CB-SD 4.29Å; M42-Y53 HydrophobicContact CB-CD2 4.1Å; M42-Y53 HydrophobicContact CB-CE2 4.47Å; M42-Y53 HydrophobicContact SD-CD2 4.26Å; M42-R268 PolarHBondContact SD-NH2 3.06Å
43P84.2Confident86Confident78 Ų7841 Ų4151%0.50627%0.27SS..PPolyproline II helixtrans-57149.7176.3-24.334.1000112.1M52P43-M52 HydrophobicContact CG-CE 3.9Å
44H78.1Confident85.8Confident46 Ų4647.9 Ų47.921%0.21330%0.296CS..PPolyproline II helixtrans-59.1142.2171.7-60.9-78.2000110.3T46 R237 E256 K260 E261H44-T46 PolarHBondContact O-N 3.47Å; H44-T46 VanDerWaalsContact O-N 3.16Å; H44-R237 PolarHBondContact CE1-NH1 2.89Å; H44-E256 IonicContact CD2-OE1 3.82Å; H44-E256 IonicContact CE1-OE1 2.82Å; H44-E256 VanDerWaalsContact NE2-CD 3.32Å; H44-E256 IonicContact NE2-OE1 2.82Å; H44-E256 PolarHBondContact NE2-OE1 3.23Å; H44-E256 IonicContact NE2-OE2 3.88Å; H44-K260 HydrophobicContact CB-CD 4.16Å; H44-K260 VanDerWaalsContact CE1-CD 3.48Å; H44-K260 WeakPolarHBondContact CE1-CD 3.34Å; H44-K260 VanDerWaalsContact CG-CD 3.49Å; H44-K260 WeakPolarHBondContact ND1-CD 3.46Å; H44-E261 IonicContact CE1-OE1 3.98Å; H44-E261 PolarHBondContact CE1-OE1 3.03Å; H44-E261 IonicContact ND1-OE1 3.44Å; H44-E261 PolarHBondContact ND1-OE1 2.91Å
45V73.7Confident85.6Confident76 Ų7649.1 Ų49.146%0.46131%0.31SS..  trans-72.7108.8173.6-171.60000107.9A49 P51V45-A49 WeakPolarHBondContact CG1-O 3.31Å; V45-P51 HydrophobicContact CG2-CB 3.7Å
46T71.1Confident85.5Confident107 Ų10749.8 Ų49.866%0.65631%0.314SS*.  trans-64.7141.4168.2-50.10000108.9H44 G48 A49H44-T46 PolarHBondContact O-N 3.47Å; H44-T46 VanDerWaalsContact O-N 3.16Å; T46-G48 PolarHBondContact O-N 2.88Å; T46-A49 WeakPolarHBondContact O-CB 3.48Å; T46-A49 PolarHBondContact O-N 3.21Å
47S66.5Low85.5Confident126 Ų12657.6 Ų57.688%0.88135%0.348SS*.THydrogen-bonded Turntrans-46.6116.5179.2-580000111.6
48G70.8Confident85.5Confident89 Ų8959.2 Ų59.292%0.91836%0.357SS*.THydrogen-bonded Turntrans91.9-9-179.300000116.3T46T46-G48 PolarHBondContact O-N 2.88Å
49A76.2Confident85.6Confident53 Ų5359.1 Ų59.144%0.43836%0.356SS..PPolyproline II helixtrans-84.5155.1173.900000111.7V45 T46V45-A49 WeakPolarHBondContact CG1-O 3.31Å; T46-A49 WeakPolarHBondContact O-CB 3.48Å; T46-A49 PolarHBondContact O-N 3.21Å
50T81.1Confident85.7Confident109 Ų10961.2 Ų61.267%0.66937%0.369SS*.PPolyproline II helixtrans-80.4141.8171.251.70000110.4
51P85Confident85.8Confident27 Ų2770.8 Ų70.818%0.17541%0.405CS..PPolyproline II helixtrans-62.9141.9174.326.6-33.9000110.6M42 V45 Y53 Y54M42-P51 HydrophobicContact CE-CB 4.46Å; V45-P51 HydrophobicContact CG2-CB 3.7Å; P51-Y53 PolarHBondContact O-N 3.33Å; P51-Y54 HydrophobicContact CG-CD1 3.49Å; P51-Y54 VanDerWaalsContact CG-CD1 3.49Å; P51-Y54 HydrophobicContact CG-CD2 4.37Å; P51-Y54 HydrophobicContact CG-CE1 3.36Å; P51-Y54 HydrophobicContact CG-CE2 4.26Å; P51-Y54 HydrophobicContact CG-CG 4.01Å
52M87.2Confident86Confident75 Ų7573.3 Ų73.337%0.36941%0.414SS..SBendtrans-53.7-41.9173.7-178.3179.5-78.800111.1M42 P43 K62M42-M52 HydrophobicContact CB-CB 4.36Å; M42-M52 HydrophobicContact CB-SD 4.29Å; P43-M52 HydrophobicContact CG-CE 3.9Å; M52-K62 WeakPolarHBondContact O-CD 3.35Å; M52-K62 PolarHBondContact O-NZ 3.24Å
53Y91.3Very high86.3Confident16 Ų1673 Ų736%0.06341%0.413CS..  trans-134.3129.2174.3-52.8-63.1000110.6R38 L39 M42 P51 G55 D58 C59 K62R38-Y53 HydrophobicContact CB-CE2 4.04Å; L39-Y53 HydrophobicContact CD2-CD2 4.46Å; L39-Y53 HydrophobicContact CD2-CG 4.43Å; M42-Y53 HydrophobicContact CB-CD2 4.1Å; M42-Y53 HydrophobicContact CB-CE2 4.47Å; M42-Y53 HydrophobicContact SD-CD2 4.26Å; P51-Y53 PolarHBondContact O-N 3.33Å; Y53-G55 VanDerWaalsContact C-N 3.33Å; Y53-D58 WeakPolarHBondContact CA-OD2 3.41Å; Y53-C59 VanDerWaalsContact CD1-CA 3.47Å; Y53-C59 HydrophobicContact CD1-CB 3.78Å; Y53-C59 HydrophobicContact CD2-CB 4.42Å; Y53-C59 HydrophobicContact CE1-CB 4.33Å; Y53-C59 HydrophobicContact CG-CB 3.82Å; Y53-K62 HydrophobicContact CD1-CB 4.27Å; Y53-K62 HydrophobicContact CD1-CD 3.81Å; Y53-K62 HydrophobicContact CE1-CB 3.89Å; Y53-K62 HydrophobicContact CE1-CD 4.06Å
54Y90.2Very high86.8Confident155 Ų15572.2 Ų72.261%0.60841%0.406SS*.SBendtrans-76.7-22.6175.1-71.4-83.1000112.8P51 D58P51-Y54 HydrophobicContact CG-CD1 3.49Å; P51-Y54 VanDerWaalsContact CG-CD1 3.49Å; P51-Y54 HydrophobicContact CG-CD2 4.37Å; P51-Y54 HydrophobicContact CG-CE1 3.36Å; P51-Y54 HydrophobicContact CG-CE2 4.26Å; P51-Y54 HydrophobicContact CG-CG 4.01Å; Y54-D58 WeakPolarHBondContact CD2-OD2 3.45Å; Y54-D58 PolarHBondContact N-OD2 2.84Å
55G92Very high87.7Confident27 Ų2774.2 Ų74.228%0.27843%0.431SS..SBendtrans175.1-171.8-18000000112.3Y53 F57 D58 C59Y53-G55 VanDerWaalsContact C-N 3.33Å; G55-F57 PolarHBondContact O-N 3.35Å; G55-D58 PolarHBondContact O-N 3.46Å; G55-C59 WeakPolarHBondContact O-CB 3.3Å; G55-C59 PolarHBondContact O-N 3.41Å
56T94.4Very high88.6Confident18 Ų1872 Ų7211%0.1142%0.421CS..Hα-helixtrans-56-50-176.2-49.80000113I35 C59 V60 T271 P272I35-T56 HydrophobicContact CG2-CG2 3.78Å; T56-C59 WeakPolarHBondContact O-CB 3.23Å; T56-C59 PolarHBondContact O-N 3.01Å; T56-V60 WeakPolarHBondContact O-CG2 3.4Å; T56-V60 PolarHBondContact O-N 2.94Å; T56-T271 HydrophobicContact CG2-CG2 4.47Å; T56-T271 WeakPolarHBondContact OG1-CB 3.42Å; T56-P272 HydrophobicContact CG2-CB 4.11Å; T56-P272 HydrophobicContact CG2-CG 4.36Å
57F96.2Very high89.6Confident166 Ų16668 Ų6873%0.72840%0.395SS*.Hα-helixtrans-70.9-36.5-177.2-62-70.7000113G55 C59 V60 R61G55-F57 PolarHBondContact O-N 3.35Å; F57-C59 VanDerWaalsContact C-N 3.35Å; F57-V60 PolarHBondContact O-N 2.95Å; F57-R61 PolarHBondContact O-N 3.35Å
58D95.5Very high90.8Very high38 Ų3863.4 Ų63.420%0.20337%0.368CS..Hα-helixtrans-64.6-40.8172.8-178.653.4000111.1Y53 Y54 G55 V60 R61 K62Y53-D58 WeakPolarHBondContact CA-OD2 3.41Å; Y54-D58 WeakPolarHBondContact CD2-OD2 3.45Å; Y54-D58 PolarHBondContact N-OD2 2.84Å; G55-D58 PolarHBondContact O-N 3.46Å; D58-V60 PolarHBondContact O-N 3.42Å; D58-R61 PolarHBondContact O-N 3.32Å; D58-K62 WeakPolarHBondContact O-CB 3.43Å; D58-K62 WeakPolarHBondContact O-CG 3.46Å; D58-K62 PolarHBondContact O-N 3.29Å; D58-K62 VanDerWaalsContact OD1-CE 3.29Å; D58-K62 WeakPolarHBondContact OD1-CE 3.4Å; D58-K62 IonicContact OD1-NZ 2.66Å; D58-K62 WeakPolarHBondContact OD2-CE 3.4Å; D58-K62 IonicContact OD2-NZ 2.79Å; D58-K62 PolarHBondContact OD2-NZ 3.33Å
59C95Very high92Very high0 Ų064.2 Ų64.20%035%0.35CS..Hα-helixtrans-60.9-42.6173.5-173.10000112.1I35 L39 Y53 G55 T56 F57 T63I35-C59 HydrophobicContact CD1-CB 4.36Å; I35-C59 HydrophobicContact CG2-CB 4.03Å; L39-C59 HydrophobicContact CD2-CB 3.97Å; L39-C59 HydrophobicContact CG-CB 4.28Å; Y53-C59 VanDerWaalsContact CD1-CA 3.47Å; Y53-C59 HydrophobicContact CD1-CB 3.78Å; Y53-C59 HydrophobicContact CD2-CB 4.42Å; Y53-C59 HydrophobicContact CE1-CB 4.33Å; Y53-C59 HydrophobicContact CG-CB 3.82Å; G55-C59 WeakPolarHBondContact O-CB 3.3Å; G55-C59 PolarHBondContact O-N 3.41Å; T56-C59 WeakPolarHBondContact O-CB 3.23Å; T56-C59 PolarHBondContact O-N 3.01Å; F57-C59 VanDerWaalsContact C-N 3.35Å; C59-T63 WeakPolarHBondContact O-CB 3.36Å; C59-T63 PolarHBondContact O-N 3.49Å; C59-T63 PolarHBondContact O-OG1 2.99Å
60V96.6Very high92.8Very high53 Ų5369.7 Ų69.732%0.32137%0.365SS..Hα-helixtrans-59.7-52.9173.8172.20000110.5I35 T56 F57 D58 K62 T63 V64I35-V60 HydrophobicContact CD1-CB 4.33Å; I35-V60 HydrophobicContact CD1-CG2 3.72Å; I35-V60 HydrophobicContact CG1-CG2 3.7Å; I35-V60 HydrophobicContact CG2-CG2 4.4Å; T56-V60 WeakPolarHBondContact O-CG2 3.4Å; T56-V60 PolarHBondContact O-N 2.94Å; F57-V60 PolarHBondContact O-N 2.95Å; D58-V60 PolarHBondContact O-N 3.42Å; V60-K62 PolarHBondContact O-N 3.1Å; V60-T63 PolarHBondContact O-N 3.07Å; V60-V64 HydrophobicContact CG1-CG2 4.42Å; V60-V64 WeakPolarHBondContact O-CG2 3.33Å; V60-V64 PolarHBondContact O-N 2.84Å
61R96.9Very high93.3Very high201 Ų20164.5 Ų64.576%0.75833%0.333SS*.Hα-helixtrans-58.2-49.7-177.9-177-179.4176176.2-0.5111.8F57 D58 T63 V64 A65F57-R61 PolarHBondContact O-N 3.35Å; D58-R61 PolarHBondContact O-N 3.32Å; R61-T63 VanDerWaalsContact C-N 3.35Å; R61-V64 PolarHBondContact O-N 2.99Å; R61-A65 VanDerWaalsContact O-CB 3.27Å; R61-A65 WeakPolarHBondContact O-CB 3.38Å; R61-A65 PolarHBondContact O-N 2.86Å
62K95.1Very high93.8Very high74 Ų7464.1 Ų64.132%0.32233%0.33SS..Hα-helixtrans-65.7-37179.2-75.2172.4173.1166.30112.2M52 Y53 D58 V60 A66M52-K62 WeakPolarHBondContact O-CD 3.35Å; M52-K62 PolarHBondContact O-NZ 3.24Å; Y53-K62 HydrophobicContact CD1-CB 4.27Å; Y53-K62 HydrophobicContact CD1-CD 3.81Å; Y53-K62 HydrophobicContact CE1-CB 3.89Å; Y53-K62 HydrophobicContact CE1-CD 4.06Å; D58-K62 WeakPolarHBondContact O-CB 3.43Å; D58-K62 WeakPolarHBondContact O-CG 3.46Å; D58-K62 PolarHBondContact O-N 3.29Å; D58-K62 VanDerWaalsContact OD1-CE 3.29Å; D58-K62 WeakPolarHBondContact OD1-CE 3.4Å; D58-K62 IonicContact OD1-NZ 2.66Å; D58-K62 WeakPolarHBondContact OD2-CE 3.4Å; D58-K62 IonicContact OD2-NZ 2.79Å; D58-K62 PolarHBondContact OD2-NZ 3.33Å; V60-K62 PolarHBondContact O-N 3.1Å; K62-A66 VanDerWaalsContact O-CB 3.29Å; K62-A66 WeakPolarHBondContact O-CB 3.23Å; K62-A66 PolarHBondContact O-N 3.29Å
63T94.6Very high94.2Very high0 Ų064.4 Ų64.40%033%0.327CS..Hα-helixtrans-63.5-49.7175.5-63.90000111.3R38 C59 V60 R61 A65 A66 D67 L72R38-T63 VanDerWaalsContact NH1-CB 3.31Å; R38-T63 PolarHBondContact NH1-OG1 3.01Å; C59-T63 WeakPolarHBondContact O-CB 3.36Å; C59-T63 PolarHBondContact O-N 3.49Å; C59-T63 PolarHBondContact O-OG1 2.99Å; V60-T63 PolarHBondContact O-N 3.07Å; R61-T63 VanDerWaalsContact C-N 3.35Å; T63-A65 VanDerWaalsContact C-N 3.33Å; T63-A65 PolarHBondContact O-N 3.01Å; T63-A66 PolarHBondContact O-N 3.18Å; T63-D67 WeakPolarHBondContact O-CB 3.44Å; T63-D67 PolarHBondContact O-N 3.42Å; T63-L72 HydrophobicContact CG2-CD2 3.64Å; T63-L72 HydrophobicContact CG2-CG 4.23Å
64V96.3Very high94.3Very high60 Ų6065.4 Ų65.436%0.36433%0.332SS..Hα-helixtrans-66.2-37.5179.5175.10000111.3V60 R61 A66 G68 L72V60-V64 HydrophobicContact CG1-CG2 4.42Å; V60-V64 WeakPolarHBondContact O-CG2 3.33Å; V60-V64 PolarHBondContact O-N 2.84Å; R61-V64 PolarHBondContact O-N 2.99Å; V64-A66 PolarHBondContact O-N 3.43Å; V64-G68 WeakPolarHBondContact O-CA 3.38Å; V64-G68 PolarHBondContact O-N 3.26Å; V64-L72 HydrophobicContact CG2-CD1 4Å; V64-L72 HydrophobicContact CG2-CG 4.39Å
65A95.4Very high94.3Very high88 Ų8858.5 Ų58.573%0.72731%0.308SS*.Hα-helixtrans-65.3-36176.400000113.1R61 T63R61-A65 VanDerWaalsContact O-CB 3.27Å; R61-A65 WeakPolarHBondContact O-CB 3.38Å; R61-A65 PolarHBondContact O-N 2.86Å; T63-A65 VanDerWaalsContact C-N 3.33Å; T63-A65 PolarHBondContact O-N 3.01Å
66A92.9Very high94.4Very high30 Ų3059.3 Ų59.325%0.24831%0.305CS..Hα-helixtrans-89.3-40.4-176.400000114.1K62 T63 V64 N143 A144K62-A66 VanDerWaalsContact O-CB 3.29Å; K62-A66 WeakPolarHBondContact O-CB 3.23Å; K62-A66 PolarHBondContact O-N 3.29Å; T63-A66 PolarHBondContact O-N 3.18Å; V64-A66 PolarHBondContact O-N 3.43Å; A66-N143 PolarHBondContact O-ND2 3.38Å; A66-A144 HydrophobicContact CB-CB 3.75Å
67D91.8Very high94.2Very high22 Ų2260.7 Ų60.712%0.11832%0.323CS..Hα-helixtrans-115.5-1.9-171-66.2-43.1000113.2R38 T63 G71 K74 S142 N143R38-D67 IonicContact CZ-OD2 3.8Å; R38-D67 IonicContact NH1-OD2 2.78Å; R38-D67 PolarHBondContact NH1-OD2 2.91Å; R38-D67 IonicContact NH2-OD2 3.87Å; R38-D67 PolarHBondContact NH2-OD2 3.2Å; T63-D67 WeakPolarHBondContact O-CB 3.44Å; T63-D67 PolarHBondContact O-N 3.42Å; D67-G71 PolarHBondContact O-N 3.46Å; D67-K74 IonicContact OD1-NZ 3.25Å; D67-K74 PolarHBondContact OD1-NZ 2.95Å; D67-K74 IonicContact OD2-NZ 3.7Å; D67-K74 PolarHBondContact OD2-NZ 2.87Å; D67-S142 PolarHBondContact OD2-OG 3.47Å; D67-N143 PolarHBondContact OD1-N 3.1Å; D67-N143 PolarHBondContact OD1-ND2 3.48Å
68G93.2Very high93.8Very high31 Ų3154 Ų5432%0.3230%0.298SS..  trans69.2-176.9-169.200000113V64 F70 G71V64-G68 WeakPolarHBondContact O-CA 3.38Å; V64-G68 PolarHBondContact O-N 3.26Å; G68-F70 VanDerWaalsContact C-N 3.27Å; G68-F70 PolarHBondContact O-N 3.36Å; G68-G71 PolarHBondContact O-N 3.38Å; G68-G71 VanDerWaalsContact O-N 3.08Å
69I94.5Very high93.6Very high105 Ų10553.2 Ų53.254%0.53830%0.295SS..G310 helixtrans-62.5-34.5-179.9-165.6165.6000112.5G71 L72I69-G71 PolarHBondContact O-N 3.19Å; I69-L72 WeakPolarHBondContact O-CB 3.29Å; I69-L72 PolarHBondContact O-N 3.07Å
70F93.7Very high93.4Very high168 Ų16856.5 Ų56.574%0.73731%0.312SS*.G310 helixtrans-68.9-17.3177.2-62.7-65.3000113.2G68 L72 Y73G68-F70 VanDerWaalsContact C-N 3.27Å; G68-F70 PolarHBondContact O-N 3.36Å; F70-L72 PolarHBondContact O-N 3.44Å; F70-Y73 PolarHBondContact O-N 3.04Å
71G92.1Very high93.1Very high1 Ų157.6 Ų57.61%0.0133%0.327CS..G310 helixtrans-55.8-33.1169.700000113.4D67 G68 I69 Y73 K74D67-G71 PolarHBondContact O-N 3.46Å; G68-G71 PolarHBondContact O-N 3.38Å; G68-G71 VanDerWaalsContact O-N 3.08Å; I69-G71 PolarHBondContact O-N 3.19Å; G71-Y73 PolarHBondContact O-N 3.5Å; G71-K74 WeakPolarHBondContact O-CG 3.2Å; G71-K74 PolarHBondContact O-N 3.35Å
72L95.2Very high92.6Very high19 Ų1948.9 Ų48.910%0.09930%0.299CS..G310 helixtrans-69.3-18.6177.2-62.4172.3000113H30 P31 T34 I35 T63 V64 I69 F70H30-L72 PolarHBondContact CD2-O 3.39Å; P31-L72 HydrophobicContact CB-CB 4.01Å; P31-L72 HydrophobicContact CB-CD1 4.42Å; P31-L72 HydrophobicContact CG-CB 4.36Å; T34-L72 WeakPolarHBondContact CB-O 3.46Å; T34-L72 PolarHBondContact OG1-O 3.25Å; I35-L72 HydrophobicContact CD1-CD2 3.69Å; I35-L72 HydrophobicContact CG1-CD2 4.06Å; T63-L72 HydrophobicContact CG2-CD2 3.64Å; T63-L72 HydrophobicContact CG2-CG 4.23Å; V64-L72 HydrophobicContact CG2-CD1 4Å; V64-L72 HydrophobicContact CG2-CG 4.39Å; I69-L72 WeakPolarHBondContact O-CB 3.29Å; I69-L72 PolarHBondContact O-N 3.07Å; F70-L72 PolarHBondContact O-N 3.44Å
73Y95.7Very high92.1Very high80 Ų8045.9 Ų45.931%0.31429%0.287SS..G310 helixtrans-101.72.6-176.1-68.4-86.2000113.7A27 P31 F70 G71 G75 M76A27-Y73 VanDerWaalsContact O-CE1 3.28Å; A27-Y73 WeakPolarHBondContact O-CE1 3.34Å; P31-Y73 HydrophobicContact CG-CD1 4.46Å; P31-Y73 HydrophobicContact CG-CE1 3.82Å; P31-Y73 HydrophobicContact CG-CE2 3.98Å; F70-Y73 PolarHBondContact O-N 3.04Å; G71-Y73 PolarHBondContact O-N 3.5Å; Y73-G75 PolarHBondContact O-N 3.44Å; Y73-M76 HydrophobicContact CD1-CE 4.01Å; Y73-M76 HydrophobicContact CD1-SD 3.65Å; Y73-M76 HydrophobicContact CE1-SD 4.23Å; Y73-M76 VanDerWaalsContact O-CB 3.27Å; Y73-M76 WeakPolarHBondContact O-CB 3.23Å; Y73-M76 PolarHBondContact O-N 2.93Å; Y73-M76 VanDerWaalsContact O-N 3.16Å
74K92.2Very high91.5Very high37 Ų3747.4 Ų47.416%0.16130%0.3CS..THydrogen-bonded Turntrans-57.3129.3178.1-73.1178.4176174.20110.8H30 D67 G71 L138 Q139 Q141H30-K74 PolarHBondContact NE2-O 3.2Å; D67-K74 IonicContact OD1-NZ 3.25Å; D67-K74 PolarHBondContact OD1-NZ 2.95Å; D67-K74 IonicContact OD2-NZ 3.7Å; D67-K74 PolarHBondContact OD2-NZ 2.87Å; G71-K74 WeakPolarHBondContact O-CG 3.2Å; G71-K74 PolarHBondContact O-N 3.35Å; K74-L138 VanDerWaalsContact CB-O 3.31Å; K74-L138 WeakPolarHBondContact CB-O 3.32Å; K74-Q139 WeakPolarHBondContact O-CG 3.29Å; K74-Q141 PolarHBondContact NZ-O 3.28Å
75G91.9Very high91Very high11 Ų1147.4 Ų47.411%0.11330%0.301CS..THydrogen-bonded Turntrans81.17179.300000116Y73 G77 P79Y73-G75 PolarHBondContact O-N 3.44Å; G75-G77 VanDerWaalsContact C-N 3.28Å; G75-G77 PolarHBondContact O-N 3.21Å; G75-P79 WeakPolarHBondContact O-CD 3.37Å
76M93.3Very high90.5Very high43 Ų4344.6 Ų44.621%0.21228%0.275CS..THydrogen-bonded Turntrans-66.4-25.9-179.9-172.1177.96200114.1I26 H30 Y73 A78 P79 I80I26-M76 HydrophobicContact CG2-CG 3.65Å; I26-M76 HydrophobicContact CG2-SD 4.23Å; H30-M76 HydrophobicContact CB-CG 4.11Å; H30-M76 HydrophobicContact CB-SD 4.17Å; H30-M76 WeakPolarHBondContact CE1-CA 3.45Å; H30-M76 PolarHBondContact CE1-N 2.77Å; H30-M76 VanDerWaalsContact CE1-N 3.31Å; H30-M76 PolarHBondContact NE2-N 2.99Å; Y73-M76 HydrophobicContact CD1-CE 4.01Å; Y73-M76 HydrophobicContact CD1-SD 3.65Å; Y73-M76 HydrophobicContact CE1-SD 4.23Å; Y73-M76 VanDerWaalsContact O-CB 3.27Å; Y73-M76 WeakPolarHBondContact O-CB 3.23Å; Y73-M76 PolarHBondContact O-N 2.93Å; Y73-M76 VanDerWaalsContact O-N 3.16Å; M76-A78 VanDerWaalsContact C-N 3.34Å; M76-A78 PolarHBondContact O-N 2.84Å; M76-P79 VanDerWaalsContact O-CD 3.26Å; M76-P79 WeakPolarHBondContact O-CD 3.31Å; M76-I80 HydrophobicContact CE-CD1 3.72Å; M76-I80 HydrophobicContact CG-CD1 3.68Å; M76-I80 HydrophobicContact CG-CG1 3.98Å; M76-I80 PolarHBondContact O-N 3.04Å; M76-I80 VanDerWaalsContact O-N 3.1Å; M76-I80 HydrophobicContact SD-CD1 3.85Å
77G89.7Confident89.9Confident48 Ų4848.7 Ų48.750%0.49529%0.287SS..Hα-helixtrans-58.7-41-176.100000113.9G75 I80 A81G75-G77 VanDerWaalsContact C-N 3.28Å; G75-G77 PolarHBondContact O-N 3.21Å; G77-I80 PolarHBondContact O-N 3.26Å; G77-A81 WeakPolarHBondContact O-CB 3.05Å; G77-A81 PolarHBondContact O-N 3.05Å
78A88.7Confident89.5Confident24 Ų2450.3 Ų50.320%0.19830%0.304CS..Hα-helixtrans-66.5-48.2179.900000112.5M76 I80 A81 G82M76-A78 VanDerWaalsContact C-N 3.34Å; M76-A78 PolarHBondContact O-N 2.84Å; A78-I80 PolarHBondContact O-N 2.87Å; A78-A81 PolarHBondContact O-N 2.86Å; A78-G82 PolarHBondContact O-N 3Å
79P90.4Very high89.1Confident23 Ų2350.8 Ų50.815%0.14930%0.298CS..Hα-helixtrans-52.9-47.7169.3-31.736.5000114.3I26 G75 M76 G82 V83 K135I26-P79 VanDerWaalsContact CD1-C 3.44Å; I26-P79 HydrophobicContact CD1-CB 3.72Å; I26-P79 VanDerWaalsContact CD1-O 3.3Å; I26-P79 WeakPolarHBondContact CD1-O 3.46Å; I26-P79 HydrophobicContact CG1-CB 4.39Å; I26-P79 HydrophobicContact CG2-CB 3.98Å; G75-P79 WeakPolarHBondContact O-CD 3.37Å; M76-P79 VanDerWaalsContact O-CD 3.26Å; M76-P79 WeakPolarHBondContact O-CD 3.31Å; P79-G82 PolarHBondContact O-N 3.37Å; P79-G82 VanDerWaalsContact O-N 3.15Å; P79-V83 WeakPolarHBondContact O-CG2 3.47Å; P79-V83 PolarHBondContact O-N 3.37Å; P79-V83 VanDerWaalsContact O-N 3.11Å; P79-K135 HydrophobicContact CG-CD 3.74Å; P79-K135 HydrophobicContact CG-CG 4.13Å
80I91.2Very high88.5Confident69 Ų6946.9 Ų46.935%0.35428%0.28SS..Hα-helixtrans-62-49.3-178.9-69.8179.2000110.9I26 M76 G77 A78 G82 V83I26-I80 HydrophobicContact CB-CG1 4.34Å; I26-I80 HydrophobicContact CD1-CG1 4.47Å; I26-I80 HydrophobicContact CG2-CD1 4.49Å; I26-I80 HydrophobicContact CG2-CG1 3.76Å; M76-I80 HydrophobicContact CE-CD1 3.72Å; M76-I80 HydrophobicContact CG-CD1 3.68Å; M76-I80 HydrophobicContact CG-CG1 3.98Å; M76-I80 PolarHBondContact O-N 3.04Å; M76-I80 VanDerWaalsContact O-N 3.1Å; M76-I80 HydrophobicContact SD-CD1 3.85Å; G77-I80 PolarHBondContact O-N 3.26Å; A78-I80 PolarHBondContact O-N 2.87Å; I80-G82 PolarHBondContact O-N 3.35Å; I80-V83 PolarHBondContact O-N 3.4Å
81A89.9Confident87.9Confident76 Ų7644.3 Ų44.363%0.62827%0.269SS*.Hα-helixtrans-62.1-27.7177.600000112.3G77 A78G77-A81 WeakPolarHBondContact O-CB 3.05Å; G77-A81 PolarHBondContact O-N 3.05Å; A78-A81 PolarHBondContact O-N 2.86Å
82G86.5Confident87.6Confident17 Ų1749.6 Ų49.618%0.17529%0.292CS..Hα-helixtrans-85.2-15.4-178.400000115.7A78 P79 I80 A84 P85 V86A78-G82 PolarHBondContact O-N 3Å; P79-G82 PolarHBondContact O-N 3.37Å; P79-G82 VanDerWaalsContact O-N 3.15Å; I80-G82 PolarHBondContact O-N 3.35Å; G82-A84 PolarHBondContact O-N 3.19Å; G82-P85 WeakPolarHBondContact O-CD 3.49Å; G82-V86 WeakPolarHBondContact O-CB 3.17Å; G82-V86 WeakPolarHBondContact O-CG2 3.39Å; G82-V86 PolarHBondContact O-N 2.83Å
83V84.4Confident87.1Confident12 Ų1248.7 Ų48.77%0.07329%0.287CS..Hα-helixtrans-48.7-66.4-172.81720000112I26 P79 I80 V86 F87I26-V83 HydrophobicContact CD1-CG2 3.17Å; I26-V83 HydrophobicContact CG1-CG2 4.35Å; P79-V83 WeakPolarHBondContact O-CG2 3.47Å; P79-V83 PolarHBondContact O-N 3.37Å; P79-V83 VanDerWaalsContact O-N 3.11Å; I80-V83 PolarHBondContact O-N 3.4Å; V83-V86 PolarHBondContact O-N 3.46Å; V83-F87 HydrophobicContact CG1-CD2 3.87Å; V83-F87 HydrophobicContact CG1-CE2 3.98Å; V83-F87 WeakPolarHBondContact O-CD2 3.29Å; V83-F87 PolarHBondContact O-N 3.28Å
84A83.7Confident86.4Confident32 Ų3246.3 Ų46.326%0.26428%0.278SS..Hα-helixtrans-63.9-48.7-174.500000112.5F15 G82 V86 F87 A88F15-A84 HydrophobicContact CE2-CB 4.06Å; F15-A84 HydrophobicContact CZ-CB 3.86Å; G82-A84 PolarHBondContact O-N 3.19Å; A84-V86 PolarHBondContact O-N 3.43Å; A84-F87 PolarHBondContact O-N 2.66Å; A84-A88 WeakPolarHBondContact O-CB 3.35Å; A84-A88 PolarHBondContact O-N 2.63Å
85P85.6Confident86Confident59 Ų5947.9 Ų47.938%0.38329%0.288SS..Hα-helixtrans-59.2-43.4177.7-26.434.7000113.8G82 A88 I89G82-P85 WeakPolarHBondContact O-CD 3.49Å; P85-A88 PolarHBondContact O-N 2.79Å; P85-I89 WeakPolarHBondContact O-CB 3.32Å; P85-I89 WeakPolarHBondContact O-CD1 3.38Å; P85-I89 VanDerWaalsContact O-CG1 3.27Å; P85-I89 WeakPolarHBondContact O-CG1 3.3Å; P85-I89 PolarHBondContact O-N 2.82Å
86V84Confident85.6Confident29 Ų2949.6 Ų49.618%0.17629%0.294CS..Hα-helixtrans-65.4-45.8-179169.80000110.6G82 V83 A84 I89 C90 L128G82-V86 WeakPolarHBondContact O-CB 3.17Å; G82-V86 WeakPolarHBondContact O-CG2 3.39Å; G82-V86 PolarHBondContact O-N 2.83Å; V83-V86 PolarHBondContact O-N 3.46Å; A84-V86 PolarHBondContact O-N 3.43Å; V86-I89 PolarHBondContact O-N 2.81Å; V86-C90 VanDerWaalsContact O-CB 3.27Å; V86-C90 WeakPolarHBondContact O-CB 3.4Å; V86-C90 PolarHBondContact O-N 3.34Å; V86-L128 HydrophobicContact CB-CD2 4.33Å; V86-L128 HydrophobicContact CG1-CD1 3.97Å; V86-L128 HydrophobicContact CG1-CD2 3.87Å; V86-L128 HydrophobicContact CG1-CG 4.05Å; V86-L128 HydrophobicContact CG2-CD2 3.47Å; V86-L128 VanDerWaalsContact CG2-CD2 3.47Å; V86-L128 HydrophobicContact CG2-CG 3.87Å
87F80.6Confident85.2Confident116 Ų11647.5 Ų47.551%0.50928%0.284SS..Hα-helixtrans-62.8-47.2176.6-80.4-62.8000111.4V83 A84 I89 C90 F91V83-F87 HydrophobicContact CG1-CD2 3.87Å; V83-F87 HydrophobicContact CG1-CE2 3.98Å; V83-F87 WeakPolarHBondContact O-CD2 3.29Å; V83-F87 PolarHBondContact O-N 3.28Å; A84-F87 PolarHBondContact O-N 2.66Å; F87-I89 VanDerWaalsContact C-N 3.3Å; F87-I89 PolarHBondContact O-N 3.47Å; F87-C90 PolarHBondContact O-N 3.13Å; F87-F91 HydrophobicContact CD1-CE2 4.33Å; F87-F91 WeakPolarHBondContact O-CD2 3.48Å; F87-F91 PolarHBondContact O-N 3.48Å
88A82.4Confident84.8Confident57 Ų5747.1 Ų47.147%0.47127%0.269SS..Hα-helixtrans-56.2-44.9178.400000112A84 P85 F91 F92A84-A88 WeakPolarHBondContact O-CB 3.35Å; A84-A88 PolarHBondContact O-N 2.63Å; P85-A88 PolarHBondContact O-N 2.79Å; A88-F91 PolarHBondContact O-N 3.1Å; A88-F92 VanDerWaalsContact O-CB 3.3Å; A88-F92 WeakPolarHBondContact O-CB 3.48Å; A88-F92 PolarHBondContact O-N 3.41Å
89I85.1Confident84.6Confident40 Ų4052.4 Ų52.421%0.20529%0.289CS..Hα-helixtrans-71.7-37.1179.7-69.3167000112P85 V86 F87 F92 G93 F123 I127P85-I89 WeakPolarHBondContact O-CB 3.32Å; P85-I89 WeakPolarHBondContact O-CD1 3.38Å; P85-I89 VanDerWaalsContact O-CG1 3.27Å; P85-I89 WeakPolarHBondContact O-CG1 3.3Å; P85-I89 PolarHBondContact O-N 2.82Å; V86-I89 PolarHBondContact O-N 2.81Å; F87-I89 VanDerWaalsContact C-N 3.3Å; F87-I89 PolarHBondContact O-N 3.47Å; I89-F92 PolarHBondContact O-N 3.17Å; I89-G93 PolarHBondContact O-N 2.84Å; I89-F123 HydrophobicContact CG2-CB 3.64Å; I89-I127 HydrophobicContact CD1-CD1 3.16Å; I89-I127 HydrophobicContact CD1-CG1 3.97Å
90C83.2Confident84.3Confident23 Ų2357.2 Ų57.216%0.15531%0.313CS..Hα-helixtrans-61.7-46.8174.7-173.50000110.8V86 F87 G93 Y94 S120V86-C90 VanDerWaalsContact O-CB 3.27Å; V86-C90 WeakPolarHBondContact O-CB 3.4Å; V86-C90 PolarHBondContact O-N 3.34Å; F87-C90 PolarHBondContact O-N 3.13Å; C90-G93 PolarHBondContact O-N 3.32Å; C90-Y94 WeakPolarHBondContact O-CB 3.25Å; C90-Y94 PolarHBondContact O-N 3.49Å; C90-S120 VanDerWaalsContact O-CB 3.22Å; C90-S120 WeakPolarHBondContact O-CB 3.39Å
91F81.2Confident83.9Confident114 Ų11458 Ų5850%0.532%0.317SS..Hα-helixtrans-66.5-39.7176.5-77.8-67.5000112.5F87 A88 Y94 N95F87-F91 HydrophobicContact CD1-CE2 4.33Å; F87-F91 WeakPolarHBondContact O-CD2 3.48Å; F87-F91 PolarHBondContact O-N 3.48Å; A88-F91 PolarHBondContact O-N 3.1Å; F91-Y94 PolarHBondContact O-N 3.44Å; F91-N95 WeakPolarHBondContact O-CB 3.48Å; F91-N95 PolarHBondContact O-N 3.31Å; F91-N95 PolarHBondContact O-ND2 3.39Å
92F85Confident83.3Confident112 Ų11255 Ų5549%0.49129%0.293SS..Hα-helixtrans-57.7-52.2172.6173.2-101000111.5A88 I89 Y94 N95 L96 F123A88-F92 VanDerWaalsContact O-CB 3.3Å; A88-F92 WeakPolarHBondContact O-CB 3.48Å; A88-F92 PolarHBondContact O-N 3.41Å; I89-F92 PolarHBondContact O-N 3.17Å; F92-Y94 VanDerWaalsContact C-N 3.31Å; F92-Y94 PolarHBondContact O-N 3.37Å; F92-N95 PolarHBondContact O-N 2.97Å; F92-L96 HydrophobicContact CD1-CD1 4Å; F92-L96 HydrophobicContact CE1-CD1 3.3Å; F92-L96 HydrophobicContact CE1-CG 4.15Å; F92-L96 HydrophobicContact CE2-CD1 3.98Å; F92-L96 HydrophobicContact CE2-CD2 4.47Å; F92-L96 HydrophobicContact CE2-CG 4.14Å; F92-L96 HydrophobicContact CZ-CD1 3.3Å; F92-L96 HydrophobicContact CZ-CD2 4.48Å; F92-L96 HydrophobicContact CZ-CG 3.98Å; F92-L96 PolarHBondContact O-N 2.8Å; F92-F123 HydrophobicContact CE1-CD1 4.5Å; F92-F123 HydrophobicContact CE1-CE1 4.42Å
93G84.2Confident82.7Confident0 Ų062.9 Ų62.90%032%0.322CS..Hα-helixtrans-63-36.417900000112.7I89 C90 G97I89-G93 PolarHBondContact O-N 2.84Å; C90-G93 PolarHBondContact O-N 3.32Å; G93-G97 PolarHBondContact O-N 2.95Å
94Y82.3Confident82.3Confident31 Ų3165.3 Ų65.312%0.12234%0.335CS..Hα-helixtrans-65.6-44.4174.8178.8-108.5000111.4C90 F91 F92 G97 K98 A116 S120 F188C90-Y94 WeakPolarHBondContact O-CB 3.25Å; C90-Y94 PolarHBondContact O-N 3.49Å; F91-Y94 PolarHBondContact O-N 3.44Å; F92-Y94 VanDerWaalsContact C-N 3.31Å; F92-Y94 PolarHBondContact O-N 3.37Å; Y94-G97 PolarHBondContact O-N 3.44Å; Y94-K98 HydrophobicContact CD1-CD 4.31Å; Y94-K98 HydrophobicContact CE1-CD 3.72Å; Y94-K98 HydrophobicContact CE1-CG 4.34Å; Y94-K98 WeakPolarHBondContact O-CG 3.46Å; Y94-K98 PolarHBondContact O-N 2.86Å; Y94-A116 HydrophobicContact CD2-CB 3.95Å; Y94-A116 HydrophobicContact CE2-CB 3.9Å; Y94-S120 VanDerWaalsContact N-CB 3.32Å; Y94-F188 HydrophobicContact CD1-CE1 4.43Å; Y94-F188 HydrophobicContact CD2-CD1 4.26Å; Y94-F188 HydrophobicContact CD2-CD2 4.12Å; Y94-F188 HydrophobicContact CD2-CE1 4.16Å; Y94-F188 HydrophobicContact CD2-CE2 4.03Å; Y94-F188 HydrophobicContact CD2-CG 4.25Å; Y94-F188 HydrophobicContact CD2-CZ 4.05Å; Y94-F188 HydrophobicContact CE1-CE1 4.5Å; Y94-F188 HydrophobicContact CE2-CB 4.43Å; Y94-F188 AromaticContact CE2-CD1 3.95Å; Y94-F188 HydrophobicContact CE2-CD1 3.95Å; Y94-F188 HydrophobicContact CE2-CD2 4.27Å; Y94-F188 HydrophobicContact CE2-CE1 4.25Å; Y94-F188 AromaticContact CE2-CG 3.97Å; Y94-F188 HydrophobicContact CE2-CG 3.97Å; Y94-F188 HydrophobicContact CG-CE1 4.25Å; Y94-F188 HydrophobicContact CG-CE2 4.47Å; Y94-F188 HydrophobicContact CG-CZ 4.11Å
95N82.5Confident81.4Confident70 Ų7066.6 Ų66.637%0.37434%0.341SS..Hα-helixtrans-65.8-42.7177.9-74.9-31.2000112.4F91 F92 K98 Q99F91-N95 WeakPolarHBondContact O-CB 3.48Å; F91-N95 PolarHBondContact O-N 3.31Å; F91-N95 PolarHBondContact O-ND2 3.39Å; F92-N95 PolarHBondContact O-N 2.97Å; N95-K98 PolarHBondContact O-N 3.49Å; N95-K98 WeakPolarHBondContact OD1-CE 3.31Å; N95-K98 PolarHBondContact OD1-NZ 3.34Å; N95-Q99 WeakPolarHBondContact O-CG 3.29Å; N95-Q99 PolarHBondContact O-N 2.99Å; N95-Q99 VanDerWaalsContact O-N 3.08Å
96L84.6Confident80.6Confident46 Ų4671 Ų7124%0.24136%0.358CS..Hα-helixtrans-62.6-43172.1-73.4-171.8000112F92 K98 Q99 L100 F119 F123F92-L96 HydrophobicContact CD1-CD1 4Å; F92-L96 HydrophobicContact CE1-CD1 3.3Å; F92-L96 HydrophobicContact CE1-CG 4.15Å; F92-L96 HydrophobicContact CE2-CD1 3.98Å; F92-L96 HydrophobicContact CE2-CD2 4.47Å; F92-L96 HydrophobicContact CE2-CG 4.14Å; F92-L96 HydrophobicContact CZ-CD1 3.3Å; F92-L96 HydrophobicContact CZ-CD2 4.48Å; F92-L96 HydrophobicContact CZ-CG 3.98Å; F92-L96 PolarHBondContact O-N 2.8Å; L96-K98 VanDerWaalsContact C-N 3.29Å; L96-K98 PolarHBondContact O-N 3.23Å; L96-Q99 PolarHBondContact O-N 3.31Å; L96-Q99 VanDerWaalsContact O-N 3.11Å; L96-L100 WeakPolarHBondContact O-CG 3.43Å; L96-L100 PolarHBondContact O-N 3.11Å; L96-F119 HydrophobicContact CB-CE1 4.41Å; L96-F123 HydrophobicContact CD1-CZ 4.48Å
97G83.7Confident80Confident0 Ų075.3 Ų75.30%038%0.38CS..Hα-helixtrans-57.9-42.3176.500000112G93 Y94 L100 L101G93-G97 PolarHBondContact O-N 2.95Å; Y94-G97 PolarHBondContact O-N 3.44Å; G97-L100 PolarHBondContact O-N 3.31Å; G97-L101 WeakPolarHBondContact O-CB 3.38Å; G97-L101 VanDerWaalsContact O-CG 3.29Å; G97-L101 WeakPolarHBondContact O-CG 3.27Å; G97-L101 PolarHBondContact O-N 3.16Å
98K82.1Confident79.7Confident39 Ų3971.8 Ų71.817%0.1737%0.366CS..Hα-helixtrans-61.4-46.4172.7-71.7-175.1-68.21750112.2Y94 N95 L96 L100 A102 L108 A116Y94-K98 HydrophobicContact CD1-CD 4.31Å; Y94-K98 HydrophobicContact CE1-CD 3.72Å; Y94-K98 HydrophobicContact CE1-CG 4.34Å; Y94-K98 WeakPolarHBondContact O-CG 3.46Å; Y94-K98 PolarHBondContact O-N 2.86Å; N95-K98 PolarHBondContact O-N 3.49Å; N95-K98 WeakPolarHBondContact OD1-CE 3.31Å; N95-K98 PolarHBondContact OD1-NZ 3.34Å; L96-K98 VanDerWaalsContact C-N 3.29Å; L96-K98 PolarHBondContact O-N 3.23Å; K98-L100 VanDerWaalsContact C-N 3.27Å; K98-L100 PolarHBondContact O-N 3.02Å; K98-A102 WeakPolarHBondContact O-CA 3.28Å; K98-A102 WeakPolarHBondContact O-CB 3.47Å; K98-A102 PolarHBondContact O-N 3.3Å; K98-L108 HydrophobicContact CB-CD2 4.26Å; K98-L108 HydrophobicContact CD-CD1 3.37Å; K98-L108 HydrophobicContact CD-CD2 4.1Å; K98-L108 HydrophobicContact CD-CG 4.32Å; K98-L108 HydrophobicContact CG-CD1 3.98Å; K98-L108 HydrophobicContact CG-CD2 3.83Å; K98-A116 HydrophobicContact CG-CB 3.92Å
99Q83.4Confident79.8Confident135 Ų13574.7 Ų74.763%0.63137%0.365SS*.Hα-helixtrans-63.2-33.5-179.1-72.1177.10.100112.9N95 L96N95-Q99 WeakPolarHBondContact O-CG 3.29Å; N95-Q99 PolarHBondContact O-N 2.99Å; N95-Q99 VanDerWaalsContact O-N 3.08Å; L96-Q99 PolarHBondContact O-N 3.31Å; L96-Q99 VanDerWaalsContact O-N 3.11Å
100L84.9Confident79.6Confident125 Ų12578.6 Ų78.665%0.65438%0.381SS*.Hα-helixtrans-85.3-34-178.6-66.8174.2000113.4L96 G97 K98 F119L96-L100 WeakPolarHBondContact O-CG 3.43Å; L96-L100 PolarHBondContact O-N 3.11Å; G97-L100 PolarHBondContact O-N 3.31Å; K98-L100 VanDerWaalsContact C-N 3.27Å; K98-L100 PolarHBondContact O-N 3.02Å; L100-F119 HydrophobicContact CD1-CE1 3.98Å; L100-F119 HydrophobicContact CD1-CZ 4.01Å
101L82.2Confident79.6Confident84 Ų8481.5 Ų81.544%0.4439%0.391SS..Hα-helixtrans-109.1-22.2-167.8-56.5174.2000113.7G97 F115G97-L101 WeakPolarHBondContact O-CB 3.38Å; G97-L101 VanDerWaalsContact O-CG 3.29Å; G97-L101 WeakPolarHBondContact O-CG 3.27Å; G97-L101 PolarHBondContact O-N 3.16Å; L101-F115 HydrophobicContact CD1-CB 3.73Å
102A78Confident79.8Confident14 Ų1476.3 Ų76.312%0.11637%0.369CS..  trans-88135.618000000111.2K98 D104 L108K98-A102 WeakPolarHBondContact O-CA 3.28Å; K98-A102 WeakPolarHBondContact O-CB 3.47Å; K98-A102 PolarHBondContact O-N 3.3Å; A102-D104 VanDerWaalsContact C-N 3.35Å; A102-L108 HydrophobicContact CB-CD2 3.35Å
103K72.9Confident79.7Confident183 Ų18371.4 Ų71.480%0.79635%0.348SS*.SBendtrans-71.2-33.2170.6-67.3-170.7176.2-171.70112.4E112K103-E112 PolarHBondContact N-OE1 3.46Å
104D75.9Confident79.8Confident63 Ų6373.6 Ų73.634%0.33736%0.359SS..SBendtrans-133.6110.4172.9177.14.4000108.4A102 M106 N107A102-D104 VanDerWaalsContact C-N 3.35Å; D104-M106 PolarHBondContact O-N 2.98Å; D104-M106 VanDerWaalsContact O-N 3.1Å; D104-M106 WeakPolarHBondContact OD1-CB 3.31Å; D104-M106 PolarHBondContact OD1-N 3.27Å; D104-N107 CarbonylContact O-C 3.55Å; D104-N107 PolarHBondContact O-N 3.25Å; D104-N107 WeakPolarHBondContact OD2-CB 3.47Å; D104-N107 PolarHBondContact OD2-ND2 3.31Å
105P66.3Low80Confident59 Ų5977.2 Ų77.238%0.38338%0.376SS..THydrogen-bonded Turntrans-59.7-18178.3-25.435000114.8
106M67.7Low80.2Confident152 Ų15273.9 Ų73.975%0.74936%0.358SS*.THydrogen-bonded Turntrans-90.9-28.4-179.7-62.2-69.777.500113.6D104D104-M106 PolarHBondContact O-N 2.98Å; D104-M106 VanDerWaalsContact O-N 3.1Å; D104-M106 WeakPolarHBondContact OD1-CB 3.31Å; D104-M106 PolarHBondContact OD1-N 3.27Å
107N72.8Confident80.2Confident118 Ų11871.7 Ų71.763%0.63135%0.346SS*.SBendtrans-12174.6178.7-66.6-61000111.2D104 R109D104-N107 CarbonylContact O-C 3.55Å; D104-N107 PolarHBondContact O-N 3.25Å; D104-N107 WeakPolarHBondContact OD2-CB 3.47Å; D104-N107 PolarHBondContact OD2-ND2 3.31Å; N107-R109 PolarHBondContact O-N 2.7Å
108L74Confident80.3Confident43 Ų4374.4 Ų74.423%0.22536%0.36CS..  trans-73.9126.4-178.6-64153.4000111K98 A102 E112 I113K98-L108 HydrophobicContact CB-CD2 4.26Å; K98-L108 HydrophobicContact CD-CD1 3.37Å; K98-L108 HydrophobicContact CD-CD2 4.1Å; K98-L108 HydrophobicContact CD-CG 4.32Å; K98-L108 HydrophobicContact CG-CD1 3.98Å; K98-L108 HydrophobicContact CG-CD2 3.83Å; A102-L108 HydrophobicContact CB-CD2 3.35Å; L108-E112 HydrophobicContact CD2-CB 4.19Å; L108-I113 HydrophobicContact CB-CD1 4.04Å; L108-I113 HydrophobicContact CB-CG1 3.56Å; L108-I113 HydrophobicContact CD1-CG1 4.25Å; L108-I113 HydrophobicContact CG-CG1 4.45Å
109R83.3Confident80.5Confident117 Ų11775.4 Ų75.444%0.44236%0.364SS..  trans-71.1153.2167.2-62.7174.5-70.6166.33.1109.6N107 H111 E112 I113N107-R109 PolarHBondContact O-N 2.7Å; R109-H111 VanDerWaalsContact CB-CE1 3.47Å; R109-H111 WeakPolarHBondContact CB-CE1 3.46Å; R109-H111 VanDerWaalsContact CZ-CE1 3.42Å; R109-H111 PolarHBondContact NE-CE1 3.24Å; R109-H111 PolarHBondContact O-N 3.26Å; R109-H111 VanDerWaalsContact O-N 3.13Å; R109-E112 HydrophobicContact CB-CG 4.31Å; R109-E112 VanDerWaalsContact CB-OE2 3.31Å; R109-E112 WeakPolarHBondContact CB-OE2 3.26Å; R109-E112 WeakPolarHBondContact CG-OE2 3.31Å; R109-E112 IonicContact CZ-OE1 3.81Å; R109-E112 PolarHBondContact N-OE2 3.32Å; R109-E112 IonicContact NE-OE1 2.76Å; R109-E112 PolarHBondContact NE-OE1 2.98Å; R109-E112 IonicContact NE-OE2 3.31Å; R109-E112 PolarHBondContact NE-OE2 3.41Å; R109-E112 IonicContact NH2-OE1 3.63Å; R109-E112 PolarHBondContact NH2-OE1 3.46Å; R109-E112 WeakPolarHBondContact O-CA 3.38Å; R109-E112 WeakPolarHBondContact O-CB 3.38Å; R109-E112 PolarHBondContact O-N 3.41Å; R109-I113 PolarHBondContact O-N 3.1Å
110K82.4Confident80.6Confident123 Ų12369 Ų6954%0.53533%0.334SS..Hα-helixtrans-53.5-38-177.1-68.9-179.9-178.6178.60113.5L114 L189 V193K110-L114 PolarHBondContact O-N 3.31Å; K110-L114 VanDerWaalsContact O-N 3.09Å; K110-L189 HydrophobicContact CB-CD1 3.86Å; K110-L189 HydrophobicContact CG-CD1 4.29Å; K110-V193 HydrophobicContact CD-CG2 4.41Å
111H82.5Confident80.5Confident83 Ų8363 Ų6338%0.38430%0.303SS..Hα-helixtrans-72.6-32.1176.167.8-81.7000112.9R109 I113 L114 F115R109-H111 VanDerWaalsContact CB-CE1 3.47Å; R109-H111 WeakPolarHBondContact CB-CE1 3.46Å; R109-H111 VanDerWaalsContact CZ-CE1 3.42Å; R109-H111 PolarHBondContact NE-CE1 3.24Å; R109-H111 PolarHBondContact O-N 3.26Å; R109-H111 VanDerWaalsContact O-N 3.13Å; H111-I113 VanDerWaalsContact C-N 3.34Å; H111-L114 WeakPolarHBondContact O-CB 3.14Å; H111-L114 PolarHBondContact O-N 2.9Å; H111-F115 HydrophobicContact CB-CD2 4.43Å; H111-F115 HydrophobicContact CB-CE2 4.15Å; H111-F115 WeakPolarHBondContact O-CD2 3.38Å; H111-F115 WeakPolarHBondContact O-CG 3.2Å; H111-F115 PolarHBondContact O-N 3.39Å
112E85.1Confident80.7Confident5 Ų563.1 Ų63.12%0.02330%0.303CS..Hα-helixtrans-66.9-39175-66.1167.4152.200110.5K103 L108 R109 F115 A116K103-E112 PolarHBondContact N-OE1 3.46Å; L108-E112 HydrophobicContact CD2-CB 4.19Å; R109-E112 HydrophobicContact CB-CG 4.31Å; R109-E112 VanDerWaalsContact CB-OE2 3.31Å; R109-E112 WeakPolarHBondContact CB-OE2 3.26Å; R109-E112 WeakPolarHBondContact CG-OE2 3.31Å; R109-E112 IonicContact CZ-OE1 3.81Å; R109-E112 PolarHBondContact N-OE2 3.32Å; R109-E112 IonicContact NE-OE1 2.76Å; R109-E112 PolarHBondContact NE-OE1 2.98Å; R109-E112 IonicContact NE-OE2 3.31Å; R109-E112 PolarHBondContact NE-OE2 3.41Å; R109-E112 IonicContact NH2-OE1 3.63Å; R109-E112 PolarHBondContact NH2-OE1 3.46Å; R109-E112 WeakPolarHBondContact O-CA 3.38Å; R109-E112 WeakPolarHBondContact O-CB 3.38Å; R109-E112 PolarHBondContact O-N 3.41Å; E112-F115 PolarHBondContact O-N 2.82Å; E112-A116 VanDerWaalsContact O-CB 3.22Å; E112-A116 WeakPolarHBondContact O-CB 3.43Å; E112-A116 PolarHBondContact O-N 3.37Å
113I83Confident80.9Confident10 Ų1066.1 Ų66.15%0.05131%0.314CS..Hα-helixtrans-61.1-47172.2-61.4177.2000110.7L108 R109 H111 A116 G117 F188 E192L108-I113 HydrophobicContact CB-CD1 4.04Å; L108-I113 HydrophobicContact CB-CG1 3.56Å; L108-I113 HydrophobicContact CD1-CG1 4.25Å; L108-I113 HydrophobicContact CG-CG1 4.45Å; R109-I113 PolarHBondContact O-N 3.1Å; H111-I113 VanDerWaalsContact C-N 3.34Å; I113-A116 PolarHBondContact O-N 3.36Å; I113-G117 PolarHBondContact O-N 2.81Å; I113-F188 HydrophobicContact CG2-CB 3.81Å; I113-E192 HydrophobicContact CD1-CB 4.11Å; I113-E192 HydrophobicContact CD1-CG 3.85Å
114L85.8Confident81.3Confident46 Ų4657.6 Ų57.624%0.24128%0.277CS..Hα-helixtrans-57.3-52.3178179.773.2000110.9K110 H111 G117 M118 G185 L189K110-L114 PolarHBondContact O-N 3.31Å; K110-L114 VanDerWaalsContact O-N 3.09Å; H111-L114 WeakPolarHBondContact O-CB 3.14Å; H111-L114 PolarHBondContact O-N 2.9Å; L114-G117 PolarHBondContact O-N 2.7Å; L114-M118 HydrophobicContact CG-SD 4.38Å; L114-M118 WeakPolarHBondContact O-CG 3.29Å; L114-M118 PolarHBondContact O-N 3.04Å; L114-G185 VanDerWaalsContact CD1-C 3.44Å; L114-L189 HydrophobicContact CD1-CB 4.37Å; L114-L189 HydrophobicContact CD1-CD2 4.2Å
115F87.9Confident81.7Confident106 Ų10654.7 Ų54.747%0.46526%0.262SS..Hα-helixtrans-69.4-36.9-177.6-65.4-55.5000113L101 H111 E112 G117 M118 F119L101-F115 HydrophobicContact CD1-CB 3.73Å; H111-F115 HydrophobicContact CB-CD2 4.43Å; H111-F115 HydrophobicContact CB-CE2 4.15Å; H111-F115 WeakPolarHBondContact O-CD2 3.38Å; H111-F115 WeakPolarHBondContact O-CG 3.2Å; H111-F115 PolarHBondContact O-N 3.39Å; E112-F115 PolarHBondContact O-N 2.82Å; F115-G117 VanDerWaalsContact C-N 3.31Å; F115-G117 PolarHBondContact O-N 3.2Å; F115-M118 HydrophobicContact CD1-SD 4.06Å; F115-M118 HydrophobicContact CE1-SD 4.49Å; F115-M118 PolarHBondContact O-N 3.41Å; F115-F119 WeakPolarHBondContact O-CB 3.47Å; F115-F119 PolarHBondContact O-N 2.87Å
116A85.1Confident82.2Confident0 Ų054.8 Ų54.80%027%0.267CS..Hα-helixtrans-63-39.3172.500000111.6Y94 K98 E112 I113 F119 S120Y94-A116 HydrophobicContact CD2-CB 3.95Å; Y94-A116 HydrophobicContact CE2-CB 3.9Å; K98-A116 HydrophobicContact CG-CB 3.92Å; E112-A116 VanDerWaalsContact O-CB 3.22Å; E112-A116 WeakPolarHBondContact O-CB 3.43Å; E112-A116 PolarHBondContact O-N 3.37Å; I113-A116 PolarHBondContact O-N 3.36Å; A116-F119 PolarHBondContact O-N 2.69Å; A116-S120 PolarHBondContact O-N 2.79Å; A116-S120 VanDerWaalsContact O-N 3.09Å
117G85Confident82.7Confident0 Ų051.4 Ų51.40%025%0.252CS..Hα-helixtrans-66.1-38.2173.200000113.2I113 L114 F115 F119 S120 G121 S184I113-G117 PolarHBondContact O-N 2.81Å; L114-G117 PolarHBondContact O-N 2.7Å; F115-G117 VanDerWaalsContact C-N 3.31Å; F115-G117 PolarHBondContact O-N 3.2Å; G117-F119 VanDerWaalsContact C-N 3.35Å; G117-S120 PolarHBondContact O-N 3.15Å; G117-S120 PolarHBondContact O-OG 3.45Å; G117-G121 PolarHBondContact O-N 3Å; G117-S184 WeakPolarHBondContact O-CB 3.33Å
118M86.8Confident83.3Confident58 Ų5847.6 Ų47.629%0.28623%0.231SC..Hα-helixtrans-63.6-42172.5-74.1178.67500111.6L114 F115 S120 G121 V181L114-M118 HydrophobicContact CG-SD 4.38Å; L114-M118 WeakPolarHBondContact O-CG 3.29Å; L114-M118 PolarHBondContact O-N 3.04Å; F115-M118 HydrophobicContact CD1-SD 4.06Å; F115-M118 HydrophobicContact CE1-SD 4.49Å; F115-M118 PolarHBondContact O-N 3.41Å; M118-S120 VanDerWaalsContact C-N 3.33Å; M118-S120 PolarHBondContact O-N 2.96Å; M118-G121 PolarHBondContact O-N 3.46Å; M118-V181 HydrophobicContact CB-CG1 3.68Å; M118-V181 HydrophobicContact CE-CG1 3.62Å; M118-V181 HydrophobicContact CG-CG1 3.97Å; M118-V181 WeakPolarHBondContact CG-O 3.37Å
119F85.8Confident84Confident60 Ų6045.6 Ų45.626%0.26322%0.22SC..Hα-helixtrans-64.2-36.7179.7-163.6-111.8000112.3L96 L100 F115 A116 G117 G121 I122 F123L96-F119 HydrophobicContact CB-CE1 4.41Å; L100-F119 HydrophobicContact CD1-CE1 3.98Å; L100-F119 HydrophobicContact CD1-CZ 4.01Å; F115-F119 WeakPolarHBondContact O-CB 3.47Å; F115-F119 PolarHBondContact O-N 2.87Å; A116-F119 PolarHBondContact O-N 2.69Å; G117-F119 VanDerWaalsContact C-N 3.35Å; F119-G121 VanDerWaalsContact C-N 3.29Å; F119-G121 PolarHBondContact O-N 3.24Å; F119-I122 HydrophobicContact CD2-CD1 4.21Å; F119-I122 WeakPolarHBondContact O-CB 3.42Å; F119-I122 PolarHBondContact O-N 2.78Å; F119-F123 HydrophobicContact CD1-CD2 4.48Å; F119-F123 AromaticContact CD1-CE2 3.94Å; F119-F123 HydrophobicContact CD1-CE2 3.94Å; F119-F123 HydrophobicContact CE1-CD2 4.39Å; F119-F123 AromaticContact CE1-CE2 3.45Å; F119-F123 HydrophobicContact CE1-CE2 3.45Å; F119-F123 VanDerWaalsContact CE1-CE2 3.45Å; F119-F123 HydrophobicContact CE1-CZ 4.19Å; F119-F123 HydrophobicContact CE2-CE2 4.47Å; F119-F123 AromaticContact CZ-CE2 3.75Å; F119-F123 HydrophobicContact CZ-CE2 3.75Å; F119-F123 HydrophobicContact CZ-CZ 4.32Å
120S84.9Confident84.3Confident0 Ų041.3 Ų41.30%021%0.208CC..Hα-helixtrans-62.7-35.1175.675.90000113.5C90 Y94 A116 G117 M118 I122 F123 S124C90-S120 VanDerWaalsContact O-CB 3.22Å; C90-S120 WeakPolarHBondContact O-CB 3.39Å; Y94-S120 VanDerWaalsContact N-CB 3.32Å; A116-S120 PolarHBondContact O-N 2.79Å; A116-S120 VanDerWaalsContact O-N 3.09Å; G117-S120 PolarHBondContact O-N 3.15Å; G117-S120 PolarHBondContact O-OG 3.45Å; M118-S120 VanDerWaalsContact C-N 3.33Å; M118-S120 PolarHBondContact O-N 2.96Å; S120-I122 PolarHBondContact O-N 2.77Å; S120-F123 PolarHBondContact O-N 3.02Å; S120-S124 PolarHBondContact O-N 3.4Å; S120-S124 PolarHBondContact O-OG 2.94Å
121G82.8Confident84.7Confident0 Ų036.4 Ų36.40%019%0.192CC..Hα-helixtrans-60.4-29.4176.500000113.4G117 M118 F119 S124 T125G117-G121 PolarHBondContact O-N 3Å; M118-G121 PolarHBondContact O-N 3.46Å; F119-G121 VanDerWaalsContact C-N 3.29Å; F119-G121 PolarHBondContact O-N 3.24Å; G121-S124 WeakPolarHBondContact CA-OG 3.5Å; G121-S124 PolarHBondContact O-OG 2.91Å; G121-T125 WeakPolarHBondContact O-CB 3.25Å; G121-T125 PolarHBondContact O-N 3.21Å; G121-T125 VanDerWaalsContact O-N 3.1Å; G121-T125 PolarHBondContact O-OG1 2.98Å
122I86.7Confident85.1Confident85 Ų8533.5 Ų33.544%0.43618%0.179SC..Hα-helixtrans-67.6-47.5179.2-59.4175000110.5F119 S120 T125 V181F119-I122 HydrophobicContact CD2-CD1 4.21Å; F119-I122 WeakPolarHBondContact O-CB 3.42Å; F119-I122 PolarHBondContact O-N 2.78Å; S120-I122 PolarHBondContact O-N 2.77Å; I122-T125 PolarHBondContact O-N 3.38Å; I122-V181 HydrophobicContact CG1-CG2 3.85Å
123F81.8Confident85.5Confident77 Ų7733.6 Ų33.634%0.33818%0.179SC..Hα-helixtrans-67.6-42.4-178.7-75.1-91.1000112.1I89 F92 L96 F119 S120 T125 A126I89-F123 HydrophobicContact CG2-CB 3.64Å; F92-F123 HydrophobicContact CE1-CD1 4.5Å; F92-F123 HydrophobicContact CE1-CE1 4.42Å; L96-F123 HydrophobicContact CD1-CZ 4.48Å; F119-F123 HydrophobicContact CD1-CD2 4.48Å; F119-F123 AromaticContact CD1-CE2 3.94Å; F119-F123 HydrophobicContact CD1-CE2 3.94Å; F119-F123 HydrophobicContact CE1-CD2 4.39Å; F119-F123 AromaticContact CE1-CE2 3.45Å; F119-F123 HydrophobicContact CE1-CE2 3.45Å; F119-F123 VanDerWaalsContact CE1-CE2 3.45Å; F119-F123 HydrophobicContact CE1-CZ 4.19Å; F119-F123 HydrophobicContact CE2-CE2 4.47Å; F119-F123 AromaticContact CZ-CE2 3.75Å; F119-F123 HydrophobicContact CZ-CE2 3.75Å; F119-F123 HydrophobicContact CZ-CZ 4.32Å; S120-F123 PolarHBondContact O-N 3.02Å; F123-T125 VanDerWaalsContact C-N 3.29Å; F123-T125 PolarHBondContact O-N 2.91Å; F123-A126 PolarHBondContact O-N 3.33Å
124S81.9Confident85.9Confident5 Ų533.8 Ų33.84%0.03518%0.18CC..Hα-helixtrans-66.8-33.2178.962.80000111.8S120 G121 A126 I127 L128S120-S124 PolarHBondContact O-N 3.4Å; S120-S124 PolarHBondContact O-OG 2.94Å; G121-S124 WeakPolarHBondContact CA-OG 3.5Å; G121-S124 PolarHBondContact O-OG 2.91Å; S124-A126 VanDerWaalsContact C-N 3.28Å; S124-A126 PolarHBondContact O-N 3.14Å; S124-I127 PolarHBondContact O-N 3.48Å; S124-L128 VanDerWaalsContact O-CB 3.31Å; S124-L128 WeakPolarHBondContact O-CB 3.45Å; S124-L128 VanDerWaalsContact O-CG 3.31Å; S124-L128 WeakPolarHBondContact O-CG 3.27Å; S124-L128 PolarHBondContact O-N 3.44Å
125T83.7Confident86.3Confident2 Ų232.2 Ų32.21%0.01217%0.171CC..Hα-helixtrans-60.6-33.8-179.8-61.50000113.1G121 I122 F123 I127 L128 A129 T173 T176 L177G121-T125 WeakPolarHBondContact O-CB 3.25Å; G121-T125 PolarHBondContact O-N 3.21Å; G121-T125 VanDerWaalsContact O-N 3.1Å; G121-T125 PolarHBondContact O-OG1 2.98Å; I122-T125 PolarHBondContact O-N 3.38Å; F123-T125 VanDerWaalsContact C-N 3.29Å; F123-T125 PolarHBondContact O-N 2.91Å; T125-I127 PolarHBondContact O-N 3.42Å; T125-L128 PolarHBondContact O-N 2.97Å; T125-A129 HydrophobicContact CG2-CB 4.4Å; T125-A129 WeakPolarHBondContact O-CB 3.31Å; T125-A129 PolarHBondContact O-N 2.86Å; T125-T173 HydrophobicContact CG2-CG2 4.18Å; T125-T176 HydrophobicContact CG2-CG2 3.75Å; T125-L177 HydrophobicContact CG2-CD2 3.68Å; T125-L177 HydrophobicContact CG2-CG 3.71Å; T125-L177 WeakPolarHBondContact OG1-CD2 3.43Å
126A78Confident86.6Confident60 Ų6027.2 Ų27.250%0.49615%0.149SC..Hα-helixtrans-59.4-35.8179.600000112.8F123 S124 P130F123-A126 PolarHBondContact O-N 3.33Å; S124-A126 VanDerWaalsContact C-N 3.28Å; S124-A126 PolarHBondContact O-N 3.14Å; A126-P130 WeakPolarHBondContact O-CD 3.3Å
127I76.8Confident87Confident82 Ų8228 Ų2842%0.42115%0.153SC..Hα-helixtrans-91.5-37177-57-157.4000111.4I89 S124 T125 P130I89-I127 HydrophobicContact CD1-CD1 3.16Å; I89-I127 HydrophobicContact CD1-CG1 3.97Å; S124-I127 PolarHBondContact O-N 3.48Å; T125-I127 PolarHBondContact O-N 3.42Å; I127-P130 VanDerWaalsContact O-CD 3.3Å; I127-P130 WeakPolarHBondContact O-CD 3.2Å; I127-P130 VanDerWaalsContact O-CG 3.32Å; I127-P130 WeakPolarHBondContact O-CG 3.31Å
128L85.1Confident87.4Confident37 Ų3728.4 Ų28.419%0.19416%0.156CC..Hα-helixtrans-67.4-36.6-179.2-77.6171.3000112.7V86 S124 T125 G131 E132V86-L128 HydrophobicContact CB-CD2 4.33Å; V86-L128 HydrophobicContact CG1-CD1 3.97Å; V86-L128 HydrophobicContact CG1-CD2 3.87Å; V86-L128 HydrophobicContact CG1-CG 4.05Å; V86-L128 HydrophobicContact CG2-CD2 3.47Å; V86-L128 VanDerWaalsContact CG2-CD2 3.47Å; V86-L128 HydrophobicContact CG2-CG 3.87Å; S124-L128 VanDerWaalsContact O-CB 3.31Å; S124-L128 WeakPolarHBondContact O-CB 3.45Å; S124-L128 VanDerWaalsContact O-CG 3.31Å; S124-L128 WeakPolarHBondContact O-CG 3.27Å; S124-L128 PolarHBondContact O-N 3.44Å; T125-L128 PolarHBondContact O-N 2.97Å; L128-G131 PolarHBondContact O-N 2.82Å; L128-E132 VanDerWaalsContact O-CB 3.29Å; L128-E132 WeakPolarHBondContact O-CB 3.46Å; L128-E132 WeakPolarHBondContact O-CG 3.41Å; L128-E132 PolarHBondContact O-N 3.47Å
129A89.2Confident87.7Confident1 Ų125.7 Ų25.71%0.00814%0.142CC..Hα-helixtrans-54.5-53.8-176.100000113.4T125 G131 R133 F170 T173T125-A129 HydrophobicContact CG2-CB 4.4Å; T125-A129 WeakPolarHBondContact O-CB 3.31Å; T125-A129 PolarHBondContact O-N 2.86Å; A129-G131 PolarHBondContact O-N 2.7Å; A129-R133 VanDerWaalsContact O-CB 3.31Å; A129-R133 WeakPolarHBondContact O-CB 3.47Å; A129-R133 PolarHBondContact O-N 2.78Å; A129-F170 HydrophobicContact CB-CD1 4.24Å; A129-T173 HydrophobicContact CB-CG2 4.37Å
130P90.1Very high88Confident28 Ų2825 Ų2518%0.18214%0.142CC..Hα-helixtrans-64.9-38.3176.824.3-34.2000112.7A126 I127 R133 I134 I169 F170A126-P130 WeakPolarHBondContact O-CD 3.3Å; I127-P130 VanDerWaalsContact O-CD 3.3Å; I127-P130 WeakPolarHBondContact O-CD 3.2Å; I127-P130 VanDerWaalsContact O-CG 3.32Å; I127-P130 WeakPolarHBondContact O-CG 3.31Å; P130-R133 WeakPolarHBondContact O-CB 3.27Å; P130-R133 PolarHBondContact O-N 2.94Å; P130-I134 WeakPolarHBondContact O-CD1 3.13Å; P130-I134 VanDerWaalsContact O-CG1 3.26Å; P130-I134 WeakPolarHBondContact O-CG1 3.5Å; P130-I134 PolarHBondContact O-N 2.86Å; P130-I134 VanDerWaalsContact O-N 3.07Å; P130-I169 HydrophobicContact CB-CG2 3.77Å; P130-F170 HydrophobicContact CG-CZ 4.47Å
131G91.2Very high88.2Confident19 Ų1926.3 Ų26.320%0.19615%0.149CC..Hα-helixtrans-64.4-46.2178.400000112.9L128 A129 R133 I134 K135L128-G131 PolarHBondContact O-N 2.82Å; A129-G131 PolarHBondContact O-N 2.7Å; G131-R133 VanDerWaalsContact C-N 3.34Å; G131-I134 PolarHBondContact O-N 2.82Å; G131-K135 WeakPolarHBondContact O-CB 3.18Å; G131-K135 PolarHBondContact O-N 3.41Å
132E90.2Very high88.3Confident22 Ų2226.6 Ų26.610%0.10315%0.151CC..Hα-helixtrans-65.6-37176-76.2-78.510700111.5L128 K135 C136 R179 K235L128-E132 VanDerWaalsContact O-CB 3.29Å; L128-E132 WeakPolarHBondContact O-CB 3.46Å; L128-E132 WeakPolarHBondContact O-CG 3.41Å; L128-E132 PolarHBondContact O-N 3.47Å; E132-K135 PolarHBondContact O-N 3.06Å; E132-K135 WeakPolarHBondContact OE1-CD 3.3Å; E132-K135 IonicContact OE1-NZ 3.68Å; E132-C136 VanDerWaalsContact O-CB 3.23Å; E132-C136 WeakPolarHBondContact O-CB 3.38Å; E132-C136 PolarHBondContact O-N 3.25Å; E132-R179 IonicContact OE2-CZ 3.31Å; E132-R179 IonicContact OE2-NH1 3.45Å; E132-R179 PolarHBondContact OE2-NH1 2.92Å; E132-R179 IonicContact OE2-NH2 2.96Å; E132-K235 IonicContact OE2-NZ 3.61Å; E132-K235 PolarHBondContact OE2-NZ 3.11Å
133R92.8Very high88Confident8 Ų826.5 Ų26.53%0.0315%0.151CC..Hα-helixtrans-57.4-50.9173.3-178.384.7-169.6104.5-14.2111A129 P130 G131 L137 L160 S168 I169 K171 Q239A129-R133 VanDerWaalsContact O-CB 3.31Å; A129-R133 WeakPolarHBondContact O-CB 3.47Å; A129-R133 PolarHBondContact O-N 2.78Å; P130-R133 WeakPolarHBondContact O-CB 3.27Å; P130-R133 PolarHBondContact O-N 2.94Å; G131-R133 VanDerWaalsContact C-N 3.34Å; R133-L137 HydrophobicContact CG-CD1 4.42Å; R133-L137 VanDerWaalsContact NH1-CG 3.3Å; R133-L137 WeakPolarHBondContact O-CG 3.46Å; R133-L137 PolarHBondContact O-N 3.2Å; R133-L160 HydrophobicContact CG-CD1 3.88Å; R133-S168 PolarHBondContact NE-O 3.4Å; R133-I169 WeakPolarHBondContact CG-O 3.08Å; R133-K171 WeakPolarHBondContact CD-O 3.09Å; R133-Q239 PolarHBondContact NH1-O 2.97Å; R133-Q239 PolarHBondContact NH2-O 3.46Å
134I93.3Very high87.8Confident13 Ų1326.6 Ų26.67%0.06717%0.166CC..Hα-helixtrans-62.6-49179.6-65.5161.3000110.3P130 G131 C136 L137 L138 P153 V156 L157P130-I134 WeakPolarHBondContact O-CD1 3.13Å; P130-I134 VanDerWaalsContact O-CG1 3.26Å; P130-I134 WeakPolarHBondContact O-CG1 3.5Å; P130-I134 PolarHBondContact O-N 2.86Å; P130-I134 VanDerWaalsContact O-N 3.07Å; G131-I134 PolarHBondContact O-N 2.82Å; I134-C136 PolarHBondContact O-N 3.16Å; I134-L137 PolarHBondContact O-N 3.36Å; I134-L138 HydrophobicContact CG2-CD1 3.83Å; I134-L138 WeakPolarHBondContact O-CG 3.11Å; I134-L138 PolarHBondContact O-N 2.93Å; I134-L138 VanDerWaalsContact O-N 3.1Å; I134-P153 HydrophobicContact CG2-CB 3.63Å; I134-V156 HydrophobicContact CB-CG1 4.44Å; I134-V156 HydrophobicContact CG1-CG1 4.11Å; I134-V156 HydrophobicContact CG2-CB 4.38Å; I134-V156 HydrophobicContact CG2-CG1 4.46Å; I134-L157 HydrophobicContact CD1-CD1 3.84Å; I134-L157 HydrophobicContact CD1-CD2 3.77Å; I134-L157 HydrophobicContact CD1-CG 3.62Å; I134-L157 HydrophobicContact CG1-CD2 4.21Å; I134-L157 HydrophobicContact CG1-CG 4.14Å
135K93.6Very high87.7Confident13 Ų1330.5 Ų30.56%0.05719%0.193CC..Hα-helixtrans-54.2-53.4178.5-178.6-163.3179.3170.20111.1D33 P79 G131 E132 L137 L138 Q139D33-K135 IonicContact OD2-NZ 2.7Å; D33-K135 PolarHBondContact OD2-NZ 3.34Å; P79-K135 HydrophobicContact CG-CD 3.74Å; P79-K135 HydrophobicContact CG-CG 4.13Å; G131-K135 WeakPolarHBondContact O-CB 3.18Å; G131-K135 PolarHBondContact O-N 3.41Å; E132-K135 PolarHBondContact O-N 3.06Å; E132-K135 WeakPolarHBondContact OE1-CD 3.3Å; E132-K135 IonicContact OE1-NZ 3.68Å; K135-L137 PolarHBondContact O-N 2.92Å; K135-L138 PolarHBondContact O-N 3.33Å; K135-Q139 HydrophobicContact CG-CG 4.38Å; K135-Q139 WeakPolarHBondContact O-CB 3.43Å; K135-Q139 VanDerWaalsContact O-CG 3.29Å; K135-Q139 WeakPolarHBondContact O-CG 3.49Å; K135-Q139 PolarHBondContact O-N 3.19Å
136C92.9Very high87.6Confident2 Ų231.9 Ų31.91%0.01421%0.208CC..Hα-helixtrans-59.2-47.6-176.8-175.40000111.6E132 I134 L138 Q139 V140E132-C136 VanDerWaalsContact O-CB 3.23Å; E132-C136 WeakPolarHBondContact O-CB 3.38Å; E132-C136 PolarHBondContact O-N 3.25Å; I134-C136 PolarHBondContact O-N 3.16Å; C136-L138 VanDerWaalsContact C-N 3.34Å; C136-L138 PolarHBondContact O-N 2.99Å; C136-Q139 PolarHBondContact O-N 3.21Å; C136-V140 VanDerWaalsContact O-CG2 3.32Å; C136-V140 WeakPolarHBondContact O-CG2 3.24Å; C136-V140 PolarHBondContact O-N 3.13Å
137L93.7Very high88Confident16 Ų1635.4 Ų35.48%0.08423%0.226CC..Hα-helixtrans-60.9-41.6178.7-70.9172.2000112.7R133 I134 K135 Q141 Y150 V156 L160R133-L137 HydrophobicContact CG-CD1 4.42Å; R133-L137 VanDerWaalsContact NH1-CG 3.3Å; R133-L137 WeakPolarHBondContact O-CG 3.46Å; R133-L137 PolarHBondContact O-N 3.2Å; I134-L137 PolarHBondContact O-N 3.36Å; K135-L137 PolarHBondContact O-N 2.92Å; L137-Q141 PolarHBondContact O-N 3.26Å; L137-Y150 HydrophobicContact CB-CD2 4.38Å; L137-Y150 HydrophobicContact CB-CE2 4.05Å; L137-Y150 HydrophobicContact CD1-CE2 4.29Å; L137-Y150 HydrophobicContact CD2-CE2 4.27Å; L137-Y150 HydrophobicContact CG-CE2 4.44Å; L137-V156 HydrophobicContact CB-CG1 4.45Å; L137-V156 HydrophobicContact CD1-CG1 3.64Å; L137-L160 HydrophobicContact CD1-CD1 3.86Å; L137-L160 HydrophobicContact CD1-CD2 3.94Å; L137-L160 HydrophobicContact CD1-CG 4.24Å
138L93.7Very high88.5Confident9 Ų935.2 Ų35.25%0.04723%0.225CC..Hα-helixtrans-70.1-33177.7-68174.6000112.5K74 I134 K135 C136 Q141 P153 V156K74-L138 VanDerWaalsContact CB-O 3.31Å; K74-L138 WeakPolarHBondContact CB-O 3.32Å; I134-L138 HydrophobicContact CG2-CD1 3.83Å; I134-L138 WeakPolarHBondContact O-CG 3.11Å; I134-L138 PolarHBondContact O-N 2.93Å; I134-L138 VanDerWaalsContact O-N 3.1Å; K135-L138 PolarHBondContact O-N 3.33Å; C136-L138 VanDerWaalsContact C-N 3.34Å; C136-L138 PolarHBondContact O-N 2.99Å; L138-Q141 VanDerWaalsContact O-CG 3.23Å; L138-Q141 WeakPolarHBondContact O-CG 3.16Å; L138-P153 HydrophobicContact CD1-CB 4.26Å; L138-V156 HydrophobicContact CD1-CG2 4.39Å; L138-V156 HydrophobicContact CD2-CG2 3.66Å; L138-V156 HydrophobicContact CG-CG2 3.88Å
139Q93.4Very high88.7Confident1 Ų138.4 Ų38.41%0.00524%0.238CC..Hα-helixtrans-71.9-36.1178.3-75.6180-4400112.7H30 T34 V37 R38 K74 K135 C136H30-Q139 PolarHBondContact CE1-NE2 2.85Å; H30-Q139 PolarHBondContact NE2-NE2 3.22Å; T34-Q139 HydrophobicContact CG2-CB 4.33Å; T34-Q139 HydrophobicContact CG2-CG 4.29Å; T34-Q139 VanDerWaalsContact N-NE2 3.19Å; T34-Q139 PolarHBondContact OG1-NE2 3.16Å; V37-Q139 HydrophobicContact CB-CB 4.29Å; V37-Q139 HydrophobicContact CG1-CB 4.13Å; R38-Q139 PolarHBondContact NE-O 3.34Å; R38-Q139 PolarHBondContact NH2-O 3.25Å; K74-Q139 WeakPolarHBondContact O-CG 3.29Å; K135-Q139 HydrophobicContact CG-CG 4.38Å; K135-Q139 WeakPolarHBondContact O-CB 3.43Å; K135-Q139 VanDerWaalsContact O-CG 3.29Å; K135-Q139 WeakPolarHBondContact O-CG 3.49Å; K135-Q139 PolarHBondContact O-N 3.19Å; C136-Q139 PolarHBondContact O-N 3.21Å
140V91.4Very high88.8Confident44 Ų4439 Ų3927%0.26724%0.24SC..Hα-helixtrans-73.9-33.5-179.1176.10000112.2V37 T41 C136 S142V37-V140 HydrophobicContact CG1-CG2 3.57Å; T41-V140 HydrophobicContact CG2-CG2 3.91Å; T41-V140 WeakPolarHBondContact OG1-CG2 3.33Å; C136-V140 VanDerWaalsContact O-CG2 3.32Å; C136-V140 WeakPolarHBondContact O-CG2 3.24Å; C136-V140 PolarHBondContact O-N 3.13Å; V140-S142 PolarHBondContact O-N 3.09Å
141Q89.6Confident88.8Confident28 Ų2842.8 Ų42.813%0.13127%0.267CS..  trans-68.2134.7-179.962.9173.8600112.7R38 K74 L137 L138 L148 Y150R38-Q141 PolarHBondContact NH2-O 3.4Å; K74-Q141 PolarHBondContact NZ-O 3.28Å; L137-Q141 PolarHBondContact O-N 3.26Å; L138-Q141 VanDerWaalsContact O-CG 3.23Å; L138-Q141 WeakPolarHBondContact O-CG 3.16Å; Q141-L148 HydrophobicContact CB-CD2 4.39Å; Q141-L148 HydrophobicContact CG-CD2 4.34Å; Q141-Y150 PolarHBondContact NE2-O 3.37Å; Q141-Y150 VanDerWaalsContact OE1-N 3.14Å; Q141-Y150 PolarHBondContact OE1-O 2.98Å
142S85.8Confident88.8Confident6 Ų642.7 Ų42.74%0.04227%0.265CS..  trans-140.8141.4-178.1178.50000109.4D67 V140 A144 S145D67-S142 PolarHBondContact OD2-OG 3.47Å; V140-S142 PolarHBondContact O-N 3.09Å; S142-A144 PolarHBondContact O-N 3.23Å; S142-A144 PolarHBondContact OG-N 2.9Å; S142-S145 PolarHBondContact O-N 2.67Å
143N79.8Confident88.8Confident84 Ų8444.5 Ų44.545%0.44928%0.279SS..G310 helixtrans-60-23.7173.2-69-29.9000112A66 D67 S145 G146 L148A66-N143 PolarHBondContact O-ND2 3.38Å; D67-N143 PolarHBondContact OD1-N 3.1Å; D67-N143 PolarHBondContact OD1-ND2 3.48Å; N143-S145 PolarHBondContact O-N 3.45Å; N143-G146 PolarHBondContact O-N 3.19Å; N143-L148 WeakPolarHBondContact OD1-CD2 3Å; N143-L148 WeakPolarHBondContact OD1-CG 3.2Å
144A78.5Confident88.8Confident78 Ų7849.3 Ų49.365%0.64531%0.309SS*.G310 helixtrans-64.9-22174.900000113.4A66 S142A66-A144 HydrophobicContact CB-CB 3.75Å; S142-A144 PolarHBondContact O-N 3.23Å; S142-A144 PolarHBondContact OG-N 2.9Å
145S77.9Confident88.8Confident87 Ų8750.5 Ų50.561%0.60832%0.316SS*.G310 helixtrans-975.1-178.2-56.80000113.3S142 N143S142-S145 PolarHBondContact O-N 2.67Å; N143-S145 PolarHBondContact O-N 3.45Å
146G82.5Confident88.8Confident32 Ų3249.9 Ų49.933%0.3331%0.313SS..SBendtrans113.6-166.9-176.800000113.1N143N143-G146 PolarHBondContact O-N 3.19Å
147P85.8Confident88.8Confident133 Ų13352.8 Ų52.886%0.86433%0.328SS*.SBendtrans-62.1141.7-178.326.3-33.8000111.2K149P147-K149 PolarHBondContact O-N 3.2Å
148L87.6Confident88.9Confident79 Ų7959.6 Ų59.641%0.41435%0.353SS..  trans-63.5122.4179.7-61.9176000110.2Q141 N143Q141-L148 HydrophobicContact CB-CD2 4.39Å; Q141-L148 HydrophobicContact CG-CD2 4.34Å; N143-L148 WeakPolarHBondContact OD1-CD2 3Å; N143-L148 WeakPolarHBondContact OD1-CG 3.2Å
149K89.2Confident88.9Confident103 Ų10361.2 Ų61.245%0.44836%0.36SS..SBendtrans-68.1-37.2176.2-175.8178.6178.3-164.50111.8P147 Q159 E163P147-K149 PolarHBondContact O-N 3.2Å; K149-Q159 PolarHBondContact O-NE2 3.23Å; K149-E163 IonicContact NZ-OE1 2.7Å; K149-E163 PolarHBondContact NZ-OE1 3.48Å; K149-E163 IonicContact NZ-OE2 2.7Å
150Y91.7Very high88.9Confident15 Ų1561.2 Ų61.26%0.05936%0.36CS..  trans-122125.4-176.4-50-72.2000111.1L137 Q141 G152 V156 Q159L137-Y150 HydrophobicContact CB-CD2 4.38Å; L137-Y150 HydrophobicContact CB-CE2 4.05Å; L137-Y150 HydrophobicContact CD1-CE2 4.29Å; L137-Y150 HydrophobicContact CD2-CE2 4.27Å; L137-Y150 HydrophobicContact CG-CE2 4.44Å; Q141-Y150 PolarHBondContact NE2-O 3.37Å; Q141-Y150 VanDerWaalsContact OE1-N 3.14Å; Q141-Y150 PolarHBondContact OE1-O 2.98Å; Y150-G152 VanDerWaalsContact C-N 3.35Å; Y150-V156 HydrophobicContact CD1-CB 4.26Å; Y150-V156 HydrophobicContact CD1-CG2 3.83Å; Y150-V156 HydrophobicContact CD2-CG2 4.04Å; Y150-V156 HydrophobicContact CG-CB 4.44Å; Y150-V156 HydrophobicContact CG-CG2 3.53Å; Y150-Q159 HydrophobicContact CD1-CB 4.31Å; Y150-Q159 HydrophobicContact CD1-CG 4.45Å; Y150-Q159 HydrophobicContact CE1-CB 3.92Å; Y150-Q159 HydrophobicContact CE1-CG 4.45Å
151S89.8Confident89Confident107 Ų10766.3 Ų66.375%0.74838%0.376SS*.SBendtrans-76.1-21.6177.557.60000113.5D155S151-D155 PolarHBondContact N-OD2 2.91Å; S151-D155 WeakPolarHBondContact OG-CB 3.38Å; S151-D155 VanDerWaalsContact OG-CG 3.24Å; S151-D155 PolarHBondContact OG-OD2 3.11Å
152G90.5Very high89.2Confident16 Ų1674.6 Ų74.617%0.16541%0.406CS..SBendtrans175.3-178.3-178.600000113.4Y150 V154 D155 V156Y150-G152 VanDerWaalsContact C-N 3.35Å; G152-V154 VanDerWaalsContact C-N 3.34Å; G152-V154 PolarHBondContact O-N 3.36Å; G152-D155 PolarHBondContact O-N 3.08Å; G152-D155 VanDerWaalsContact O-N 3.17Å; G152-V156 WeakPolarHBondContact O-CG2 3.28Å; G152-V156 PolarHBondContact O-N 3.43Å
153P91Very high89.4Confident61 Ų6179.2 Ų79.240%0.39643%0.427SS..Hα-helixtrans-62.7-36.7-172.624.3-34.2000113.8I134 L138 V156 L157I134-P153 HydrophobicContact CG2-CB 3.63Å; L138-P153 HydrophobicContact CD1-CB 4.26Å; P153-V156 PolarHBondContact O-N 2.95Å; P153-L157 PolarHBondContact O-N 2.91Å; P153-L157 VanDerWaalsContact O-N 3.12Å
154V92.8Very high89.7Confident109 Ų10977.2 Ų77.266%0.66143%0.426SS*.Hα-helixtrans-69.1-38.3177.4179.70000111.2G152 L157 R158G152-V154 VanDerWaalsContact C-N 3.34Å; G152-V154 PolarHBondContact O-N 3.36Å; V154-L157 PolarHBondContact O-N 3.23Å; V154-R158 WeakPolarHBondContact O-CB 3.37Å; V154-R158 PolarHBondContact O-N 3.34Å
155D93.7Very high90.3Very high38 Ų3874.4 Ų74.420%0.20340%0.404CS..Hα-helixtrans-68.5-39.6177.1-174.327.9000111.4S151 G152 L157 R158 Q159S151-D155 PolarHBondContact N-OD2 2.91Å; S151-D155 WeakPolarHBondContact OG-CB 3.38Å; S151-D155 VanDerWaalsContact OG-CG 3.24Å; S151-D155 PolarHBondContact OG-OD2 3.11Å; G152-D155 PolarHBondContact O-N 3.08Å; G152-D155 VanDerWaalsContact O-N 3.17Å; D155-L157 PolarHBondContact O-N 3.48Å; D155-R158 PolarHBondContact O-N 2.91Å; D155-Q159 VanDerWaalsContact CG-NE2 3.28Å; D155-Q159 WeakPolarHBondContact O-CB 3.38Å; D155-Q159 WeakPolarHBondContact O-CG 3.29Å; D155-Q159 PolarHBondContact O-N 3.19Å; D155-Q159 PolarHBondContact OD1-NE2 3.45Å; D155-Q159 PolarHBondContact OD2-NE2 3.32Å; D155-Q159 VanDerWaalsContact OD2-NE2 3.15Å
156V93.5Very high90.9Very high0 Ų075.3 Ų75.30%040%0.401CS..Hα-helixtrans-54.2-52.2169.6176.60000110.6I134 L137 L138 Y150 G152 P153 R158 Q159 L160I134-V156 HydrophobicContact CB-CG1 4.44Å; I134-V156 HydrophobicContact CG1-CG1 4.11Å; I134-V156 HydrophobicContact CG2-CB 4.38Å; I134-V156 HydrophobicContact CG2-CG1 4.46Å; L137-V156 HydrophobicContact CB-CG1 4.45Å; L137-V156 HydrophobicContact CD1-CG1 3.64Å; L138-V156 HydrophobicContact CD1-CG2 4.39Å; L138-V156 HydrophobicContact CD2-CG2 3.66Å; L138-V156 HydrophobicContact CG-CG2 3.88Å; Y150-V156 HydrophobicContact CD1-CB 4.26Å; Y150-V156 HydrophobicContact CD1-CG2 3.83Å; Y150-V156 HydrophobicContact CD2-CG2 4.04Å; Y150-V156 HydrophobicContact CG-CB 4.44Å; Y150-V156 HydrophobicContact CG-CG2 3.53Å; G152-V156 WeakPolarHBondContact O-CG2 3.28Å; G152-V156 PolarHBondContact O-N 3.43Å; P153-V156 PolarHBondContact O-N 2.95Å; V156-R158 PolarHBondContact O-N 3.44Å; V156-Q159 PolarHBondContact O-N 2.89Å; V156-L160 HydrophobicContact CG1-CD1 3.64Å; V156-L160 HydrophobicContact CG1-CG 4.08Å; V156-L160 WeakPolarHBondContact O-CB 3.39Å; V156-L160 WeakPolarHBondContact O-CG 3.44Å; V156-L160 PolarHBondContact O-N 3.1Å
157L93.1Very high91.1Very high63 Ų6383.6 Ų83.633%0.3342%0.423SS..Hα-helixtrans-59.2-46.1179.2-79.3172000112.3I134 P153 V154 D155 Y161 I169I134-L157 HydrophobicContact CD1-CD1 3.84Å; I134-L157 HydrophobicContact CD1-CD2 3.77Å; I134-L157 HydrophobicContact CD1-CG 3.62Å; I134-L157 HydrophobicContact CG1-CD2 4.21Å; I134-L157 HydrophobicContact CG1-CG 4.14Å; P153-L157 PolarHBondContact O-N 2.91Å; P153-L157 VanDerWaalsContact O-N 3.12Å; V154-L157 PolarHBondContact O-N 3.23Å; D155-L157 PolarHBondContact O-N 3.48Å; L157-Y161 WeakPolarHBondContact O-CB 3.27Å; L157-Y161 PolarHBondContact O-N 3.32Å; L157-I169 HydrophobicContact CD2-CD1 4.09Å; L157-I169 HydrophobicContact CD2-CG1 4.31Å; L157-I169 HydrophobicContact CD2-CG2 4.13Å
158R95.5Very high91.3Very high158 Ų15877.6 Ų77.660%0.59638%0.384SS*.Hα-helixtrans-61.8-46179.7178.9-179.2-88.1171.7-6.6111.5V154 D155 V156 R162V154-R158 WeakPolarHBondContact O-CB 3.37Å; V154-R158 PolarHBondContact O-N 3.34Å; D155-R158 PolarHBondContact O-N 2.91Å; V156-R158 PolarHBondContact O-N 3.44Å; R158-R162 WeakPolarHBondContact O-CG 3.41Å; R158-R162 PolarHBondContact O-N 2.93Å; R158-R162 VanDerWaalsContact O-N 3.12Å
159Q94.2Very high91.4Very high44 Ų4474.6 Ų74.621%0.20637%0.368CS..Hα-helixtrans-68.5-45.3179.5-71.4-172.845.200111.6K149 Y150 D155 V156 Y161 R162 E163K149-Q159 PolarHBondContact O-NE2 3.23Å; Y150-Q159 HydrophobicContact CD1-CB 4.31Å; Y150-Q159 HydrophobicContact CD1-CG 4.45Å; Y150-Q159 HydrophobicContact CE1-CB 3.92Å; Y150-Q159 HydrophobicContact CE1-CG 4.45Å; D155-Q159 VanDerWaalsContact CG-NE2 3.28Å; D155-Q159 WeakPolarHBondContact O-CB 3.38Å; D155-Q159 WeakPolarHBondContact O-CG 3.29Å; D155-Q159 PolarHBondContact O-N 3.19Å; D155-Q159 PolarHBondContact OD1-NE2 3.45Å; D155-Q159 PolarHBondContact OD2-NE2 3.32Å; D155-Q159 VanDerWaalsContact OD2-NE2 3.15Å; V156-Q159 PolarHBondContact O-N 2.89Å; Q159-Y161 VanDerWaalsContact C-N 3.29Å; Q159-Y161 PolarHBondContact O-N 3.33Å; Q159-R162 PolarHBondContact O-N 3.17Å; Q159-R162 VanDerWaalsContact O-N 3.07Å; Q159-E163 WeakPolarHBondContact O-CG 3.39Å; Q159-E163 PolarHBondContact O-N 2.97Å
160L92.6Very high91.4Very high1 Ų173.6 Ų73.61%0.00536%0.364CS..Hα-helixtrans-58.8-42.2176.6-70.5177.7000111.8R133 L137 V156 R162 E163 G164 S168 I169R133-L160 HydrophobicContact CG-CD1 3.88Å; L137-L160 HydrophobicContact CD1-CD1 3.86Å; L137-L160 HydrophobicContact CD1-CD2 3.94Å; L137-L160 HydrophobicContact CD1-CG 4.24Å; V156-L160 HydrophobicContact CG1-CD1 3.64Å; V156-L160 HydrophobicContact CG1-CG 4.08Å; V156-L160 WeakPolarHBondContact O-CB 3.39Å; V156-L160 WeakPolarHBondContact O-CG 3.44Å; V156-L160 PolarHBondContact O-N 3.1Å; L160-R162 VanDerWaalsContact C-N 3.32Å; L160-R162 PolarHBondContact O-N 3.32Å; L160-E163 PolarHBondContact O-N 3.32Å; L160-G164 PolarHBondContact O-N 3.33Å; L160-G164 VanDerWaalsContact O-N 3.11Å; L160-S168 WeakPolarHBondContact CD2-OG 3.15Å; L160-S168 VanDerWaalsContact O-CB 3.23Å; L160-S168 WeakPolarHBondContact O-CB 3.12Å; L160-S168 PolarHBondContact O-OG 3.31Å; L160-I169 HydrophobicContact CB-CG1 3.96Å
161Y94Very high91.2Very high151 Ų15174.4 Ų74.459%0.59237%0.368SS*.Hα-helixtrans-63.8-36.9176.5-170.8-96.7000112.2L157 Q159 G165 I169L157-Y161 WeakPolarHBondContact O-CB 3.27Å; L157-Y161 PolarHBondContact O-N 3.32Å; Q159-Y161 VanDerWaalsContact C-N 3.29Å; Q159-Y161 PolarHBondContact O-N 3.33Å; Y161-G165 WeakPolarHBondContact O-CA 3.4Å; Y161-G165 PolarHBondContact O-N 2.91Å; Y161-I169 HydrophobicContact CD2-CD1 4.26Å
162R93.4Very high91Very high201 Ų20169.8 Ų69.876%0.75834%0.337SS*.Hα-helixtrans-69.9-36.5174.4-74.4177.5174.8-171.6-2.5113.1R158 Q159 L160R158-R162 WeakPolarHBondContact O-CG 3.41Å; R158-R162 PolarHBondContact O-N 2.93Å; R158-R162 VanDerWaalsContact O-N 3.12Å; Q159-R162 PolarHBondContact O-N 3.17Å; Q159-R162 VanDerWaalsContact O-N 3.07Å; L160-R162 VanDerWaalsContact C-N 3.32Å; L160-R162 PolarHBondContact O-N 3.32Å
163E89.4Confident91Very high103 Ų10370.8 Ų70.848%0.48134%0.34SS..Hα-helixtrans-71.8-36.1-178.3-74.1176.6176.600113K149 Q159 L160K149-E163 IonicContact NZ-OE1 2.7Å; K149-E163 PolarHBondContact NZ-OE1 3.48Å; K149-E163 IonicContact NZ-OE2 2.7Å; Q159-E163 WeakPolarHBondContact O-CG 3.39Å; Q159-E163 PolarHBondContact O-N 2.97Å; L160-E163 PolarHBondContact O-N 3.32Å
164G86.6Confident90.9Very high42 Ų4271 Ų7143%0.43335%0.347SS..Hα-helixtrans-16321.6-175.200000115.1L160L160-G164 PolarHBondContact O-N 3.33Å; L160-G164 VanDerWaalsContact O-N 3.11Å
165G90.8Very high90.7Very high19 Ų1965.9 Ų65.920%0.19632%0.316CS..Hα-helixtrans60.7-149-179.600000113.3Y161 R167 S168Y161-G165 WeakPolarHBondContact O-CA 3.4Å; Y161-G165 PolarHBondContact O-N 2.91Å; G165-R167 PolarHBondContact O-N 2.91Å; G165-S168 PolarHBondContact O-N 3.39Å
166I90.2Very high90.6Very high106 Ų10664.1 Ų64.154%0.54431%0.307SS..Hα-helixtrans-61.9-30.1-178.6-160.859.3000112.7S168 I169 F170I166-S168 VanDerWaalsContact C-N 3.3Å; I166-S168 PolarHBondContact O-N 3.44Å; I166-I169 HydrophobicContact CD1-CD1 4.17Å; I166-I169 PolarHBondContact O-N 2.88Å; I166-F170 HydrophobicContact CD1-CD2 3.91Å; I166-F170 HydrophobicContact CD1-CE2 3.64Å; I166-F170 HydrophobicContact CG1-CD2 3.83Å; I166-F170 HydrophobicContact CG1-CE2 3.88Å; I166-F170 WeakPolarHBondContact O-CD2 3.36Å; I166-F170 PolarHBondContact O-N 3.11Å; I166-F170 VanDerWaalsContact O-N 3.08Å
167R88.6Confident90.4Very high207 Ų20766.9 Ų66.978%0.78132%0.321SS*.Hα-helixtrans-63-36.9179.1-175.1178.6175.6-179.7-1.6112G165 F170 K171G165-R167 PolarHBondContact O-N 2.91Å; R167-F170 CarbonylContact O-C 3.58Å; R167-F170 PolarHBondContact O-N 3.31Å; R167-K171 PolarHBondContact O-N 2.96Å; R167-K171 VanDerWaalsContact O-N 3.12Å
168S88.1Confident90.4Very high6 Ų668 Ų684%0.04233%0.327CS..Hα-helixtrans-67.8-37.5177.3-174.50000112.2R133 L160 G165 I166 K171R133-S168 PolarHBondContact NE-O 3.4Å; L160-S168 WeakPolarHBondContact CD2-OG 3.15Å; L160-S168 VanDerWaalsContact O-CB 3.23Å; L160-S168 WeakPolarHBondContact O-CB 3.12Å; L160-S168 PolarHBondContact O-OG 3.31Å; G165-S168 PolarHBondContact O-N 3.39Å; I166-S168 VanDerWaalsContact C-N 3.3Å; I166-S168 PolarHBondContact O-N 3.44Å; S168-K171 VanDerWaalsContact O-CB 3.29Å; S168-K171 WeakPolarHBondContact O-CB 3.42Å; S168-K171 PolarHBondContact O-N 3.15Å
169I90.5Very high90.1Very high17 Ų1761.4 Ų61.49%0.08730%0.302CS..Hα-helixtrans-65.2-42.8176.5-62.8171.9000110.8P130 R133 L157 L160 Y161 I166 K171P130-I169 HydrophobicContact CB-CG2 3.77Å; R133-I169 WeakPolarHBondContact CG-O 3.08Å; L157-I169 HydrophobicContact CD2-CD1 4.09Å; L157-I169 HydrophobicContact CD2-CG1 4.31Å; L157-I169 HydrophobicContact CD2-CG2 4.13Å; L160-I169 HydrophobicContact CB-CG1 3.96Å; Y161-I169 HydrophobicContact CD2-CD1 4.26Å; I166-I169 HydrophobicContact CD1-CD1 4.17Å; I166-I169 PolarHBondContact O-N 2.88Å; I169-K171 VanDerWaalsContact C-N 3.3Å; I169-K171 PolarHBondContact O-N 2.87Å
170F89.8Confident89.9Confident82 Ų8260 Ų6036%0.3630%0.296SS..THydrogen-bonded Turntrans-87.211.2178.8-76.9-90.4000113.9A129 P130 I166 R167 G172 T173A129-F170 HydrophobicContact CB-CD1 4.24Å; P130-F170 HydrophobicContact CG-CZ 4.47Å; I166-F170 HydrophobicContact CD1-CD2 3.91Å; I166-F170 HydrophobicContact CD1-CE2 3.64Å; I166-F170 HydrophobicContact CG1-CD2 3.83Å; I166-F170 HydrophobicContact CG1-CE2 3.88Å; I166-F170 WeakPolarHBondContact O-CD2 3.36Å; I166-F170 PolarHBondContact O-N 3.11Å; I166-F170 VanDerWaalsContact O-N 3.08Å; R167-F170 CarbonylContact O-C 3.58Å; R167-F170 PolarHBondContact O-N 3.31Å; F170-G172 PolarHBondContact O-N 3.43Å; F170-T173 WeakPolarHBondContact O-CB 3.33Å; F170-T173 PolarHBondContact O-N 3.43Å; F170-T173 PolarHBondContact O-OG1 3.33Å
171K87.2Confident89.8Confident31 Ų3161 Ų6114%0.13530%0.302CS..THydrogen-bonded Turntrans-59.8125.6176-175.2179.6-179.9179.10110.2R133 R167 S168 I169 L238 A241 S242 E243R133-K171 WeakPolarHBondContact CD-O 3.09Å; R167-K171 PolarHBondContact O-N 2.96Å; R167-K171 VanDerWaalsContact O-N 3.12Å; S168-K171 VanDerWaalsContact O-CB 3.29Å; S168-K171 WeakPolarHBondContact O-CB 3.42Å; S168-K171 PolarHBondContact O-N 3.15Å; I169-K171 VanDerWaalsContact C-N 3.3Å; I169-K171 PolarHBondContact O-N 2.87Å; K171-L238 WeakPolarHBondContact CE-O 3.39Å; K171-A241 PolarHBondContact NZ-O 2.93Å; K171-S242 PolarHBondContact NZ-O 3.35Å; K171-E243 WeakPolarHBondContact CD-OE2 3.32Å; K171-E243 WeakPolarHBondContact CE-OE2 3.21Å; K171-E243 IonicContact NZ-OE2 3.91Å; K171-E243 PolarHBondContact NZ-OE2 3.47Å
172G86.4Confident89.6Confident10 Ų1055.9 Ų55.910%0.10329%0.287CS..THydrogen-bonded Turntrans87.510.9-176.900000115F170 A174 A175 T176F170-G172 PolarHBondContact O-N 3.43Å; G172-A174 VanDerWaalsContact C-N 3.32Å; G172-A174 PolarHBondContact O-N 3.45Å; G172-A175 WeakPolarHBondContact O-CB 3.46Å; G172-A175 PolarHBondContact O-N 2.93Å; G172-T176 PolarHBondContact O-N 3.41Å; G172-T176 PolarHBondContact O-OG1 3.06Å
173T89.2Confident89.4Confident37 Ų3746.4 Ų46.423%0.22725%0.252CS..Hα-helixtrans-55.9-44.5173.9-61.10000112.1T125 A129 F170 A175 T176 L177T125-T173 HydrophobicContact CG2-CG2 4.18Å; A129-T173 HydrophobicContact CB-CG2 4.37Å; F170-T173 WeakPolarHBondContact O-CB 3.33Å; F170-T173 PolarHBondContact O-N 3.43Å; F170-T173 PolarHBondContact O-OG1 3.33Å; T173-A175 PolarHBondContact O-N 3.42Å; T173-T176 WeakPolarHBondContact O-CB 3.37Å; T173-T176 PolarHBondContact O-N 3.06Å; T173-T176 VanDerWaalsContact O-N 3.11Å; T173-L177 HydrophobicContact CG2-CD1 4.42Å; T173-L177 PolarHBondContact O-N 3.37Å
174A88.6Confident89.4Confident67 Ų6742.4 Ų42.455%0.55424%0.236SC*.Hα-helixtrans-60.5-33.9175.600000112.8G172 L178 I250G172-A174 VanDerWaalsContact C-N 3.32Å; G172-A174 PolarHBondContact O-N 3.45Å; A174-L178 WeakPolarHBondContact O-CB 3.38Å; A174-L178 PolarHBondContact O-N 3.28Å; A174-I250 HydrophobicContact CB-CD1 4.21Å
175A89.7Confident89.5Confident1 Ų140.4 Ų40.41%0.00822%0.215CC..Hα-helixtrans-74.6-3417800000111.2G172 T173 L178 R179 K235 L238 I250G172-A175 WeakPolarHBondContact O-CB 3.46Å; G172-A175 PolarHBondContact O-N 2.93Å; T173-A175 PolarHBondContact O-N 3.42Å; A175-L178 PolarHBondContact O-N 2.9Å; A175-R179 PolarHBondContact O-N 3.49Å; A175-R179 VanDerWaalsContact O-N 3.13Å; A175-K235 HydrophobicContact CB-CB 3.65Å; A175-K235 HydrophobicContact CB-CG 3.85Å; A175-L238 HydrophobicContact CB-CD2 4.42Å; A175-I250 HydrophobicContact CB-CD1 3.44Å; A175-I250 VanDerWaalsContact CB-CD1 3.44Å; A175-I250 HydrophobicContact CB-CG1 3.73Å
176T90.3Very high89.4Confident0 Ų041 Ų410%022%0.215CC..Hα-helixtrans-66.4-45.4173.7-50.70000110.1T125 G172 T173 L178 R179 D180T125-T176 HydrophobicContact CG2-CG2 3.75Å; G172-T176 PolarHBondContact O-N 3.41Å; G172-T176 PolarHBondContact O-OG1 3.06Å; T173-T176 WeakPolarHBondContact O-CB 3.37Å; T173-T176 PolarHBondContact O-N 3.06Å; T173-T176 VanDerWaalsContact O-N 3.11Å; T176-L178 PolarHBondContact O-N 2.93Å; T176-R179 WeakPolarHBondContact O-CB 3.41Å; T176-R179 PolarHBondContact O-N 3.21Å; T176-D180 WeakPolarHBondContact CG2-OD2 3.15Å; T176-D180 WeakPolarHBondContact O-CB 3.07Å; T176-D180 PolarHBondContact O-N 2.89Å
177L91.3Very high89.3Confident59 Ų5939.9 Ų39.931%0.30920%0.204SC..Hα-helixtrans-59.7-45.4173.4-75.2170.7000112.2T125 T173 R179 D180 V181T125-L177 HydrophobicContact CG2-CD2 3.68Å; T125-L177 HydrophobicContact CG2-CG 3.71Å; T125-L177 WeakPolarHBondContact OG1-CD2 3.43Å; T173-L177 HydrophobicContact CG2-CD1 4.42Å; T173-L177 PolarHBondContact O-N 3.37Å; L177-R179 PolarHBondContact O-N 3.4Å; L177-D180 PolarHBondContact O-N 2.9Å; L177-V181 HydrophobicContact CD2-CG2 4.13Å; L177-V181 VanDerWaalsContact O-CB 3.31Å; L177-V181 WeakPolarHBondContact O-CB 3.44Å; L177-V181 WeakPolarHBondContact O-CG2 3.3Å; L177-V181 PolarHBondContact O-N 3.26Å
178L91.4Very high89.2Confident86 Ų8631.2 Ų31.245%0.4517%0.172SC..Hα-helixtrans-60.9-29178.7-175.164.3000112.4A174 A175 T176 P182 P231A174-L178 WeakPolarHBondContact O-CB 3.38Å; A174-L178 PolarHBondContact O-N 3.28Å; A175-L178 PolarHBondContact O-N 2.9Å; T176-L178 PolarHBondContact O-N 2.93Å; L178-P182 WeakPolarHBondContact O-CD 3.13Å; L178-P182 WeakPolarHBondContact O-CG 3.44Å; L178-P231 HydrophobicContact CB-CB 4.31Å; L178-P231 HydrophobicContact CD2-CB 4.1Å; L178-P231 HydrophobicContact CG-CB 3.9Å
179R90.7Very high89.2Confident20 Ų2033.2 Ų33.28%0.07518%0.182CC..Hα-helixtrans-79.6-57.1172.5-175-16671.8177.9-1.3111.2E132 A175 T176 L177 A183 A228 P231 D232E132-R179 IonicContact OE2-CZ 3.31Å; E132-R179 IonicContact OE2-NH1 3.45Å; E132-R179 PolarHBondContact OE2-NH1 2.92Å; E132-R179 IonicContact OE2-NH2 2.96Å; A175-R179 PolarHBondContact O-N 3.49Å; A175-R179 VanDerWaalsContact O-N 3.13Å; T176-R179 WeakPolarHBondContact O-CB 3.41Å; T176-R179 PolarHBondContact O-N 3.21Å; L177-R179 PolarHBondContact O-N 3.4Å; R179-A183 WeakPolarHBondContact O-CB 3.21Å; R179-A183 PolarHBondContact O-N 3.21Å; R179-A228 HydrophobicContact CG-CB 3.85Å; R179-P231 HydrophobicContact CB-CB 4.06Å; R179-P231 HydrophobicContact CB-CG 3.96Å; R179-P231 HydrophobicContact CG-CG 4.25Å; R179-D232 WeakPolarHBondContact CD-OD1 3.42Å; R179-D232 HydrophobicContact CG-CB 4.23Å; R179-D232 IonicContact CZ-OD1 3.19Å; R179-D232 IonicContact NE-OD1 3.36Å; R179-D232 IonicContact NH1-OD1 3.26Å; R179-D232 PolarHBondContact NH1-OD1 2.89Å
180D89.1Confident89.1Confident14 Ų1433.4 Ų33.48%0.07519%0.185CC..Hα-helixtrans-72.8-36.8-164.3-71.6-8.5000112.7T176 L177 S184T176-D180 WeakPolarHBondContact CG2-OD2 3.15Å; T176-D180 WeakPolarHBondContact O-CB 3.07Å; T176-D180 PolarHBondContact O-N 2.89Å; L177-D180 PolarHBondContact O-N 2.9Å; D180-S184 WeakPolarHBondContact O-CB 3.35Å; D180-S184 PolarHBondContact O-N 3.39Å; D180-S184 PolarHBondContact O-OG 3.25Å
181V90Very high89Confident22 Ų2232.5 Ų32.513%0.13318%0.18CC..Hα-helixtrans-66.5-57.2-176.8170.80000111.2M118 I122 L177 A183 S184 G185M118-V181 HydrophobicContact CB-CG1 3.68Å; M118-V181 HydrophobicContact CE-CG1 3.62Å; M118-V181 HydrophobicContact CG-CG1 3.97Å; M118-V181 WeakPolarHBondContact CG-O 3.37Å; I122-V181 HydrophobicContact CG1-CG2 3.85Å; L177-V181 HydrophobicContact CD2-CG2 4.13Å; L177-V181 VanDerWaalsContact O-CB 3.31Å; L177-V181 WeakPolarHBondContact O-CB 3.44Å; L177-V181 WeakPolarHBondContact O-CG2 3.3Å; L177-V181 PolarHBondContact O-N 3.26Å; V181-A183 PolarHBondContact O-N 2.85Å; V181-S184 PolarHBondContact O-N 3.27Å; V181-G185 PolarHBondContact O-N 3.39Å
182P90Very high88.9Confident43 Ų4333.1 Ų33.128%0.27918%0.183SC..Hα-helixtrans-64.4-39.9177.5-21.135.1000112.6L178 S184 G185 V186 I227L178-P182 WeakPolarHBondContact O-CD 3.13Å; L178-P182 WeakPolarHBondContact O-CG 3.44Å; P182-S184 PolarHBondContact O-N 3.43Å; P182-G185 PolarHBondContact O-N 3.46Å; P182-V186 WeakPolarHBondContact O-CG2 3.27Å; P182-V186 PolarHBondContact O-N 3.46Å; P182-I227 HydrophobicContact CB-CG2 3.99Å
183A90.6Very high89Confident3 Ų335.5 Ų35.53%0.02520%0.196CC..Hα-helixtrans-63.7-40.1-178.800000112.6R179 V181 V186 Y187 N224 A228R179-A183 WeakPolarHBondContact O-CB 3.21Å; R179-A183 PolarHBondContact O-N 3.21Å; V181-A183 PolarHBondContact O-N 2.85Å; A183-V186 PolarHBondContact O-N 2.88Å; A183-Y187 WeakPolarHBondContact O-CB 3.29Å; A183-Y187 PolarHBondContact O-N 3.08Å; A183-N224 PolarHBondContact O-ND2 2.96Å; A183-A228 HydrophobicContact CB-CB 3.83Å
184S87.9Confident89Confident19 Ų1935.6 Ų35.613%0.13319%0.194CC..Hα-helixtrans-65.7-44.9176.3-60.40000111.1G117 D180 V181 P182 V186 Y187 F188G117-S184 WeakPolarHBondContact O-CB 3.33Å; D180-S184 WeakPolarHBondContact O-CB 3.35Å; D180-S184 PolarHBondContact O-N 3.39Å; D180-S184 PolarHBondContact O-OG 3.25Å; V181-S184 PolarHBondContact O-N 3.27Å; P182-S184 PolarHBondContact O-N 3.43Å; S184-V186 PolarHBondContact O-N 3.46Å; S184-Y187 WeakPolarHBondContact O-CB 3.1Å; S184-Y187 PolarHBondContact O-N 3.48Å; S184-F188 WeakPolarHBondContact O-CD2 3.19Å; S184-F188 PolarHBondContact O-N 2.88Å; S184-F188 VanDerWaalsContact O-N 3.08Å
185G88.5Confident88.8Confident0 Ų034.3 Ų34.30%018%0.176CC..Hα-helixtrans-56.3-49.1174.600000112.3L114 V181 P182 Y187 F188 L189L114-G185 VanDerWaalsContact CD1-C 3.44Å; V181-G185 PolarHBondContact O-N 3.39Å; P182-G185 PolarHBondContact O-N 3.46Å; G185-Y187 VanDerWaalsContact C-N 3.35Å; G185-Y187 PolarHBondContact O-N 3.4Å; G185-F188 PolarHBondContact O-N 3.36Å; G185-L189 WeakPolarHBondContact O-CB 3.31Å; G185-L189 PolarHBondContact O-N 2.85Å
186V89.9Confident88.6Confident32 Ų3237.4 Ų37.419%0.19419%0.192CC..Hα-helixtrans-63.9-40.7179.1171.20000111.2P182 A183 S184 F188 L189 S190 F223 I227P182-V186 WeakPolarHBondContact O-CG2 3.27Å; P182-V186 PolarHBondContact O-N 3.46Å; A183-V186 PolarHBondContact O-N 2.88Å; S184-V186 PolarHBondContact O-N 3.46Å; V186-F188 PolarHBondContact O-N 2.95Å; V186-L189 PolarHBondContact O-N 3.08Å; V186-S190 WeakPolarHBondContact O-CB 3.3Å; V186-S190 PolarHBondContact O-N 2.84Å; V186-S190 PolarHBondContact O-OG 3.14Å; V186-F223 HydrophobicContact CG1-CB 3.98Å; V186-I227 HydrophobicContact CG1-CG1 4.35Å; V186-I227 HydrophobicContact CG2-CG1 4.16Å
187Y88.3Confident88.5Confident81 Ų8141.2 Ų41.232%0.31822%0.224SC..Hα-helixtrans-55.9-53.9175.5-179.2-94.4000112A183 S184 G185 Y191 A220 N224A183-Y187 WeakPolarHBondContact O-CB 3.29Å; A183-Y187 PolarHBondContact O-N 3.08Å; S184-Y187 WeakPolarHBondContact O-CB 3.1Å; S184-Y187 PolarHBondContact O-N 3.48Å; G185-Y187 VanDerWaalsContact C-N 3.35Å; G185-Y187 PolarHBondContact O-N 3.4Å; Y187-Y191 WeakPolarHBondContact O-CB 3.17Å; Y187-Y191 PolarHBondContact O-N 3.35Å; Y187-A220 HydrophobicContact CD2-CB 3.96Å; Y187-A220 HydrophobicContact CE2-CB 4.02Å; Y187-N224 HydrophobicContact CD2-CB 4.22Å
188F85.4Confident88.1Confident25 Ų2540.3 Ų40.311%0.1122%0.219CC..Hα-helixtrans-65.9-40.7-178.8-74.6-71.7000112.2Y94 I113 S184 G185 V186 Y191 E192Y94-F188 HydrophobicContact CD1-CE1 4.43Å; Y94-F188 HydrophobicContact CD2-CD1 4.26Å; Y94-F188 HydrophobicContact CD2-CD2 4.12Å; Y94-F188 HydrophobicContact CD2-CE1 4.16Å; Y94-F188 HydrophobicContact CD2-CE2 4.03Å; Y94-F188 HydrophobicContact CD2-CG 4.25Å; Y94-F188 HydrophobicContact CD2-CZ 4.05Å; Y94-F188 HydrophobicContact CE1-CE1 4.5Å; Y94-F188 HydrophobicContact CE2-CB 4.43Å; Y94-F188 AromaticContact CE2-CD1 3.95Å; Y94-F188 HydrophobicContact CE2-CD1 3.95Å; Y94-F188 HydrophobicContact CE2-CD2 4.27Å; Y94-F188 HydrophobicContact CE2-CE1 4.25Å; Y94-F188 AromaticContact CE2-CG 3.97Å; Y94-F188 HydrophobicContact CE2-CG 3.97Å; Y94-F188 HydrophobicContact CG-CE1 4.25Å; Y94-F188 HydrophobicContact CG-CE2 4.47Å; Y94-F188 HydrophobicContact CG-CZ 4.11Å; I113-F188 HydrophobicContact CG2-CB 3.81Å; S184-F188 WeakPolarHBondContact O-CD2 3.19Å; S184-F188 PolarHBondContact O-N 2.88Å; S184-F188 VanDerWaalsContact O-N 3.08Å; G185-F188 PolarHBondContact O-N 3.36Å; V186-F188 PolarHBondContact O-N 2.95Å; F188-Y191 PolarHBondContact O-N 3.32Å; F188-E192 PolarHBondContact O-N 2.91Å
189L88.3Confident87.6Confident49 Ų4940.1 Ų40.126%0.25721%0.212SC..Hα-helixtrans-63.1-50.8176.6175.761.5000111.7K110 L114 G185 V186 Y191 E192 V193K110-L189 HydrophobicContact CB-CD1 3.86Å; K110-L189 HydrophobicContact CG-CD1 4.29Å; L114-L189 HydrophobicContact CD1-CB 4.37Å; L114-L189 HydrophobicContact CD1-CD2 4.2Å; G185-L189 WeakPolarHBondContact O-CB 3.31Å; G185-L189 PolarHBondContact O-N 2.85Å; V186-L189 PolarHBondContact O-N 3.08Å; L189-Y191 VanDerWaalsContact C-N 3.29Å; L189-Y191 PolarHBondContact O-N 2.88Å; L189-E192 PolarHBondContact O-N 2.97Å; L189-V193 HydrophobicContact CD1-CG2 4.01Å; L189-V193 HydrophobicContact CG-CG2 4.47Å; L189-V193 WeakPolarHBondContact O-CB 3.07Å; L189-V193 VanDerWaalsContact O-CG2 3.29Å; L189-V193 WeakPolarHBondContact O-CG2 3.33Å; L189-V193 PolarHBondContact O-N 2.95Å
190S89.3Confident86.6Confident21 Ų2144 Ų4415%0.14723%0.234CC..Hα-helixtrans-62.7-37.9179.1-67.40000111.7V186 M194 F223V186-S190 WeakPolarHBondContact O-CB 3.3Å; V186-S190 PolarHBondContact O-N 2.84Å; V186-S190 PolarHBondContact O-OG 3.14Å; S190-M194 WeakPolarHBondContact O-CB 3.18Å; S190-M194 PolarHBondContact O-N 3.27Å; S190-F223 WeakPolarHBondContact OG-CB 3.4Å
191Y86.8Confident85.5Confident63 Ų6349.6 Ų49.625%0.24727%0.271CS..Hα-helixtrans-61.8-49.1175.8-177.7-112.2000111.5Y187 F188 L189 M194 K195 T213 A216Y187-Y191 WeakPolarHBondContact O-CB 3.17Å; Y187-Y191 PolarHBondContact O-N 3.35Å; F188-Y191 PolarHBondContact O-N 3.32Å; L189-Y191 VanDerWaalsContact C-N 3.29Å; L189-Y191 PolarHBondContact O-N 2.88Å; Y191-M194 PolarHBondContact O-N 3.48Å; Y191-K195 HydrophobicContact CD1-CD 3.82Å; Y191-K195 HydrophobicContact CE1-CD 3.36Å; Y191-K195 HydrophobicContact CE1-CG 4.33Å; Y191-K195 HydrophobicContact CE2-CD 4.16Å; Y191-K195 HydrophobicContact CE2-CG 4.36Å; Y191-K195 HydrophobicContact CG-CD 4.42Å; Y191-K195 WeakPolarHBondContact O-CB 3.4Å; Y191-K195 WeakPolarHBondContact O-CG 3.45Å; Y191-K195 PolarHBondContact O-N 3.27Å; Y191-T213 WeakPolarHBondContact OH-CG2 3.22Å; Y191-A216 HydrophobicContact CD2-CB 4.14Å; Y191-A216 HydrophobicContact CE2-CB 4.17Å
192E85.2Confident84Confident43 Ų4357.4 Ų57.420%0.20131%0.306CS..Hα-helixtrans-69.3-40.7-179.2-164.460.5-154.700112.2I113 F188 L189 M194 K195 D196 R199I113-E192 HydrophobicContact CD1-CB 4.11Å; I113-E192 HydrophobicContact CD1-CG 3.85Å; F188-E192 PolarHBondContact O-N 2.91Å; L189-E192 PolarHBondContact O-N 2.97Å; E192-M194 VanDerWaalsContact C-N 3.28Å; E192-M194 PolarHBondContact O-N 3.33Å; E192-K195 WeakPolarHBondContact O-CB 3.17Å; E192-K195 PolarHBondContact O-N 3.48Å; E192-K195 IonicContact OE1-NZ 2.86Å; E192-K195 IonicContact OE2-NZ 3.76Å; E192-K195 PolarHBondContact OE2-NZ 2.91Å; E192-D196 PolarHBondContact O-N 3.36Å; E192-R199 IonicContact OE1-CZ 2.86Å; E192-R199 IonicContact OE1-NH1 2.68Å; E192-R199 IonicContact OE1-NH2 3.65Å; E192-R199 PolarHBondContact OE1-NH2 2.87Å
193V89.1Confident82.5Confident61 Ų6158.1 Ų58.137%0.3731%0.312SS..Hα-helixtrans-58.9-41.6174.2169.20000111.4K110 L189 D196 A197K110-V193 HydrophobicContact CD-CG2 4.41Å; L189-V193 HydrophobicContact CD1-CG2 4.01Å; L189-V193 HydrophobicContact CG-CG2 4.47Å; L189-V193 WeakPolarHBondContact O-CB 3.07Å; L189-V193 VanDerWaalsContact O-CG2 3.29Å; L189-V193 WeakPolarHBondContact O-CG2 3.33Å; L189-V193 PolarHBondContact O-N 2.95Å; V193-D196 PolarHBondContact O-N 3.42Å; V193-A197 WeakPolarHBondContact O-CB 3.22Å; V193-A197 PolarHBondContact O-N 3.35Å
194M88.6Confident80.7Confident39 Ų3967.9 Ų67.919%0.19235%0.354CS..Hα-helixtrans-72.2-36.7179.8-165.257.574.100111.8S190 Y191 E192 A197 L198 F215 A216 M219S190-M194 WeakPolarHBondContact O-CB 3.18Å; S190-M194 PolarHBondContact O-N 3.27Å; Y191-M194 PolarHBondContact O-N 3.48Å; E192-M194 VanDerWaalsContact C-N 3.28Å; E192-M194 PolarHBondContact O-N 3.33Å; M194-A197 PolarHBondContact O-N 3.44Å; M194-L198 HydrophobicContact CG-CD1 3.8Å; M194-L198 HydrophobicContact CG-CG 4.48Å; M194-L198 WeakPolarHBondContact O-CB 3.34Å; M194-L198 WeakPolarHBondContact O-CD1 3.35Å; M194-L198 WeakPolarHBondContact O-CG 3.11Å; M194-L198 PolarHBondContact O-N 2.89Å; M194-L198 HydrophobicContact SD-CD1 4.19Å; M194-L198 HydrophobicContact SD-CG 4.4Å; M194-F215 HydrophobicContact SD-CE1 4.09Å; M194-A216 HydrophobicContact CB-CB 3.9Å; M194-A216 HydrophobicContact CG-CB 3.7Å; M194-M219 HydrophobicContact CE-CB 3.83Å; M194-M219 HydrophobicContact CE-CG 3.99Å
195K85Confident79.1Confident39 Ų3972.4 Ų72.417%0.1738%0.377CS..Hα-helixtrans-60.4-49.7171.1-77.2179.854-149.60111.4Y191 E192 A197 L198 R199 L208 A216Y191-K195 HydrophobicContact CD1-CD 3.82Å; Y191-K195 HydrophobicContact CE1-CD 3.36Å; Y191-K195 HydrophobicContact CE1-CG 4.33Å; Y191-K195 HydrophobicContact CE2-CD 4.16Å; Y191-K195 HydrophobicContact CE2-CG 4.36Å; Y191-K195 HydrophobicContact CG-CD 4.42Å; Y191-K195 WeakPolarHBondContact O-CB 3.4Å; Y191-K195 WeakPolarHBondContact O-CG 3.45Å; Y191-K195 PolarHBondContact O-N 3.27Å; E192-K195 WeakPolarHBondContact O-CB 3.17Å; E192-K195 PolarHBondContact O-N 3.48Å; E192-K195 IonicContact OE1-NZ 2.86Å; E192-K195 IonicContact OE2-NZ 3.76Å; E192-K195 PolarHBondContact OE2-NZ 2.91Å; K195-A197 VanDerWaalsContact C-N 3.27Å; K195-A197 PolarHBondContact O-N 2.94Å; K195-L198 PolarHBondContact O-N 3.32Å; K195-L198 VanDerWaalsContact O-N 3.12Å; K195-R199 VanDerWaalsContact O-CG 3.27Å; K195-R199 WeakPolarHBondContact O-CG 3.43Å; K195-R199 PolarHBondContact O-N 2.93Å; K195-L208 HydrophobicContact CB-CD1 3.81Å; K195-L208 HydrophobicContact CD-CD1 4.08Å; K195-L208 HydrophobicContact CG-CD1 3.58Å; K195-A216 HydrophobicContact CG-CB 4.35Å
196D85.3Confident77.5Confident67 Ų6778.2 Ų78.236%0.35841%0.408SS..Hα-helixtrans-57-42.4178.4-73.3-16.8000111.5E192 V193 L198 R199E192-D196 PolarHBondContact O-N 3.36Å; V193-D196 PolarHBondContact O-N 3.42Å; D196-L198 VanDerWaalsContact C-N 3.35Å; D196-L198 PolarHBondContact O-N 2.94Å; D196-R199 IonicContact OD1-CZ 2.94Å; D196-R199 VanDerWaalsContact OD1-CZ 3.31Å; D196-R199 IonicContact OD1-NH1 2.82Å; D196-R199 PolarHBondContact OD1-NH1 3.26Å; D196-R199 IonicContact OD1-NH2 3.6Å
197A87Confident76.2Confident79 Ų7982.9 Ų82.965%0.65343%0.427SS*.Hα-helixtrans-68.9-28.8178.300000113.9V193 M194 K195V193-A197 WeakPolarHBondContact O-CB 3.22Å; V193-A197 PolarHBondContact O-N 3.35Å; M194-A197 PolarHBondContact O-N 3.44Å; K195-A197 VanDerWaalsContact C-N 3.27Å; K195-A197 PolarHBondContact O-N 2.94Å
198L84.8Confident75.2Confident41 Ų4180.2 Ų80.222%0.21542%0.419CS..Hα-helixtrans-97.5-11.1-177.1-66.3170.2000113.8M194 K195 D196 N200 L208 K212 F215 A216M194-L198 HydrophobicContact CG-CD1 3.8Å; M194-L198 HydrophobicContact CG-CG 4.48Å; M194-L198 WeakPolarHBondContact O-CB 3.34Å; M194-L198 WeakPolarHBondContact O-CD1 3.35Å; M194-L198 WeakPolarHBondContact O-CG 3.11Å; M194-L198 PolarHBondContact O-N 2.89Å; M194-L198 HydrophobicContact SD-CD1 4.19Å; M194-L198 HydrophobicContact SD-CG 4.4Å; K195-L198 PolarHBondContact O-N 3.32Å; K195-L198 VanDerWaalsContact O-N 3.12Å; D196-L198 VanDerWaalsContact C-N 3.35Å; D196-L198 PolarHBondContact O-N 2.94Å; L198-N200 PolarHBondContact O-N 3.25Å; L198-L208 HydrophobicContact CB-CD2 3.63Å; L198-K212 HydrophobicContact CB-CD 4.3Å; L198-K212 HydrophobicContact CD1-CB 4.4Å; L198-K212 PolarHBondContact O-NZ 2.84Å; L198-F215 HydrophobicContact CD1-CD1 3.8Å; L198-F215 HydrophobicContact CD1-CE1 4.5Å; L198-A216 HydrophobicContact CD1-CB 4.23Å
199R78.9Confident74.9Confident82 Ų8282.9 Ų82.931%0.30944%0.441SS..  trans-61.1128175.5-86.4173.6-170.8158.810.1109.1E192 K195 D196 L208E192-R199 IonicContact OE1-CZ 2.86Å; E192-R199 IonicContact OE1-NH1 2.68Å; E192-R199 IonicContact OE1-NH2 3.65Å; E192-R199 PolarHBondContact OE1-NH2 2.87Å; K195-R199 VanDerWaalsContact O-CG 3.27Å; K195-R199 WeakPolarHBondContact O-CG 3.43Å; K195-R199 PolarHBondContact O-N 2.93Å; D196-R199 IonicContact OD1-CZ 2.94Å; D196-R199 VanDerWaalsContact OD1-CZ 3.31Å; D196-R199 IonicContact OD1-NH1 2.82Å; D196-R199 PolarHBondContact OD1-NH1 3.26Å; D196-R199 IonicContact OD1-NH2 3.6Å; R199-L208 HydrophobicContact CG-CD1 4.39Å; R199-L208 HydrophobicContact CG-CG 4.42Å
200N71Confident74.3Confident100 Ų10084.5 Ų84.554%0.53545%0.452SS..  trans-79.3128.3170-72-14.5000108L198 H202 S203 K212L198-N200 PolarHBondContact O-N 3.25Å; N200-H202 PolarHBondContact O-N 3.23Å; N200-S203 PolarHBondContact O-N 3.06Å; N200-K212 PolarHBondContact ND2-NZ 2.97Å; N200-K212 PolarHBondContact OD1-NZ 3.35Å
201P65.1Low73.8Confident132 Ų13285.6 Ų85.686%0.85747%0.467SS*.THydrogen-bonded Turntrans-56.8-22178.5-25.633.3000114.4
202H59.7Low73.6Confident186 Ų18685.5 Ų85.586%0.86147%0.468SS*.THydrogen-bonded Turntrans-98.94.8-176.2-86.247.7000115.2N200 K204N200-H202 PolarHBondContact O-N 3.23Å; H202-K204 PolarHBondContact O-N 3.29Å
203S58.4Low73.5Confident58 Ų5885.7 Ų85.741%0.40647%0.471SS..  trans-80.6109.8178.3-167.20000111.3N200 N205N200-S203 PolarHBondContact O-N 3.06Å; S203-N205 VanDerWaalsContact C-N 3.26Å; S203-N205 PolarHBondContact O-N 3.18Å
204K51.5Low73.1Confident209 Ų20986.4 Ų86.491%0.90947%0.473SS*.THydrogen-bonded Turntrans-59.6-29.4179-86.7-175.1174.5-1780114.4H202H202-K204 PolarHBondContact O-N 3.29Å
205N55.6Low72.9Confident113 Ų11390 Ų9060%0.60449%0.487SS*.THydrogen-bonded Turntrans-98.96.7-171.5-78.77.2000114.8S203 E207S203-N205 VanDerWaalsContact C-N 3.26Å; S203-N205 PolarHBondContact O-N 3.18Å; N205-E207 PolarHBondContact O-N 2.77Å
206N55.5Low73Confident122 Ų12288.1 Ų88.165%0.65248%0.479SS*.  trans59.21.2177.9-133.212.5000115.1
207E61Low72.9Confident130 Ų13085.7 Ų85.761%0.60747%0.471SS*.PPolyproline II helixtrans-88.6123.8-178.6-73.8-179.317600110.2N205N205-E207 PolarHBondContact O-N 2.77Å
208L67.8Low72.8Confident25 Ų2582.8 Ų82.813%0.13145%0.448CS..PPolyproline II helixtrans-73.3136.7166.3-73.9124.4000108.6K195 L198 R199 K212 T213K195-L208 HydrophobicContact CB-CD1 3.81Å; K195-L208 HydrophobicContact CD-CD1 4.08Å; K195-L208 HydrophobicContact CG-CD1 3.58Å; L198-L208 HydrophobicContact CB-CD2 3.63Å; R199-L208 HydrophobicContact CG-CD1 4.39Å; R199-L208 HydrophobicContact CG-CG 4.42Å; L208-K212 HydrophobicContact CB-CB 4.2Å; L208-K212 HydrophobicContact CD2-CB 3.71Å; L208-K212 HydrophobicContact CD2-CD 4.07Å; L208-T213 WeakPolarHBondContact CB-OG1 3.35Å; L208-T213 PolarHBondContact O-OG1 3.41Å
209S78.5Confident73Confident82 Ų8283.1 Ų83.157%0.57345%0.449SS*.PPolyproline II helixtrans-49.8143.6166.4169.10000109.9G211 K212 T213S209-G211 PolarHBondContact O-N 3.15Å; S209-K212 WeakPolarHBondContact O-CA 3.43Å; S209-K212 PolarHBondContact O-N 3.43Å; S209-T213 PolarHBondContact O-N 3.44Å; S209-T213 PolarHBondContact O-OG1 3.43Å
210V77.4Confident73.5Confident83 Ų8379.2 Ų79.250%0.50344%0.435SS..Hα-helixtrans-55.6-32.9-175.3109.70000111.7K212 T213 L214 F285V210-K212 PolarHBondContact O-N 3.47Å; V210-T213 PolarHBondContact O-N 2.89Å; V210-L214 HydrophobicContact CG1-CD1 4.09Å; V210-L214 WeakPolarHBondContact O-CB 3.03Å; V210-L214 WeakPolarHBondContact O-CG 3.47Å; V210-L214 PolarHBondContact O-N 3.09Å; V210-F285 HydrophobicContact CG1-CE2 3.81Å; V210-F285 HydrophobicContact CG1-CZ 3.62Å
211G77.3Confident74.2Confident43 Ų4375.1 Ų75.144%0.44342%0.416SS..Hα-helixtrans-62.2-40.6174.300000114S209 F215S209-G211 PolarHBondContact O-N 3.15Å; G211-F215 WeakPolarHBondContact O-CB 3.21Å; G211-F215 PolarHBondContact O-N 3.38Å
212K83Confident75.4Confident62 Ų6271.6 Ų71.627%0.2739%0.389SS..Hα-helixtrans-71-39.6176.1-70-177.6170.5-168.70111.5L198 N200 L208 S209 V210 L214 F215 A216L198-K212 HydrophobicContact CB-CD 4.3Å; L198-K212 HydrophobicContact CD1-CB 4.4Å; L198-K212 PolarHBondContact O-NZ 2.84Å; N200-K212 PolarHBondContact ND2-NZ 2.97Å; N200-K212 PolarHBondContact OD1-NZ 3.35Å; L208-K212 HydrophobicContact CB-CB 4.2Å; L208-K212 HydrophobicContact CD2-CB 3.71Å; L208-K212 HydrophobicContact CD2-CD 4.07Å; S209-K212 WeakPolarHBondContact O-CA 3.43Å; S209-K212 PolarHBondContact O-N 3.43Å; V210-K212 PolarHBondContact O-N 3.47Å; K212-L214 VanDerWaalsContact C-N 3.35Å; K212-F215 PolarHBondContact O-N 3.35Å; K212-A216 WeakPolarHBondContact O-CB 2.99Å; K212-A216 PolarHBondContact O-N 2.89Å
213T82.3Confident76.9Confident46 Ų4666.5 Ų66.528%0.28237%0.365SS..Hα-helixtrans-62.2-42.9174.5-56.90000111.3Y191 L208 S209 V210 A216 G217Y191-T213 WeakPolarHBondContact OH-CG2 3.22Å; L208-T213 WeakPolarHBondContact CB-OG1 3.35Å; L208-T213 PolarHBondContact O-OG1 3.41Å; S209-T213 PolarHBondContact O-N 3.44Å; S209-T213 PolarHBondContact O-OG1 3.43Å; V210-T213 PolarHBondContact O-N 2.89Å; T213-A216 PolarHBondContact O-N 3.41Å; T213-G217 PolarHBondContact O-N 2.9Å
214L81.6Confident78.4Confident77 Ų7765.2 Ų65.240%0.40335%0.354SS..Hα-helixtrans-63.6-44.5175.2-74.9171.9000111.9V210 K212 A216 G217 G218 F285V210-L214 HydrophobicContact CG1-CD1 4.09Å; V210-L214 WeakPolarHBondContact O-CB 3.03Å; V210-L214 WeakPolarHBondContact O-CG 3.47Å; V210-L214 PolarHBondContact O-N 3.09Å; K212-L214 VanDerWaalsContact C-N 3.35Å; L214-A216 VanDerWaalsContact C-N 3.34Å; L214-A216 PolarHBondContact O-N 2.81Å; L214-G217 PolarHBondContact O-N 2.9Å; L214-G218 PolarHBondContact O-N 3.3Å; L214-F285 HydrophobicContact CD1-CD1 4.18Å; L214-F285 HydrophobicContact CD1-CD2 3.96Å; L214-F285 HydrophobicContact CD1-CE1 4.31Å; L214-F285 HydrophobicContact CD1-CE2 4.1Å; L214-F285 HydrophobicContact CD1-CG 4.01Å; L214-F285 HydrophobicContact CD1-CZ 4.28Å; L214-F285 HydrophobicContact CD2-CB 4.11Å; L214-F285 HydrophobicContact CD2-CD2 3.81Å; L214-F285 HydrophobicContact CD2-CG 4.04Å; L214-F285 HydrophobicContact CG-CD2 4.31Å
215F84.4Confident80.3Confident113 Ų11357.3 Ų57.350%0.49632%0.318SS..Hα-helixtrans-61.9-43.7175.4-177.9-98.9000111.4M194 L198 G211 K212 G218 M219M194-F215 HydrophobicContact SD-CE1 4.09Å; L198-F215 HydrophobicContact CD1-CD1 3.8Å; L198-F215 HydrophobicContact CD1-CE1 4.5Å; G211-F215 WeakPolarHBondContact O-CB 3.21Å; G211-F215 PolarHBondContact O-N 3.38Å; K212-F215 PolarHBondContact O-N 3.35Å; F215-G218 PolarHBondContact O-N 3.16Å; F215-M219 HydrophobicContact CD1-CG 4.29Å; F215-M219 HydrophobicContact CE1-CG 3.88Å; F215-M219 HydrophobicContact CE2-CG 4.16Å; F215-M219 HydrophobicContact CE2-SD 4.38Å; F215-M219 HydrophobicContact CZ-CG 3.81Å; F215-M219 HydrophobicContact CZ-SD 4.2Å; F215-M219 WeakPolarHBondContact O-CG 3.46Å; F215-M219 PolarHBondContact O-N 3.32Å
216A86.7Confident82.1Confident0 Ų054.7 Ų54.70%030%0.304CS..Hα-helixtrans-60.9-46.6175.900000112.7Y191 M194 K195 L198 K212 T213 L214 M219 A220Y191-A216 HydrophobicContact CD2-CB 4.14Å; Y191-A216 HydrophobicContact CE2-CB 4.17Å; M194-A216 HydrophobicContact CB-CB 3.9Å; M194-A216 HydrophobicContact CG-CB 3.7Å; K195-A216 HydrophobicContact CG-CB 4.35Å; L198-A216 HydrophobicContact CD1-CB 4.23Å; K212-A216 WeakPolarHBondContact O-CB 2.99Å; K212-A216 PolarHBondContact O-N 2.89Å; T213-A216 PolarHBondContact O-N 3.41Å; L214-A216 VanDerWaalsContact C-N 3.34Å; L214-A216 PolarHBondContact O-N 2.81Å; A216-M219 PolarHBondContact O-N 3.46Å; A216-A220 VanDerWaalsContact O-CB 3.29Å; A216-A220 WeakPolarHBondContact O-CB 3.43Å; A216-A220 PolarHBondContact O-N 2.96Å
217G84.2Confident83.8Confident17 Ų1752.8 Ų52.818%0.17529%0.293CS..Hα-helixtrans-63.6-39.2175.400000112.9T213 L214 A220 G221T213-G217 PolarHBondContact O-N 2.9Å; L214-G217 PolarHBondContact O-N 2.9Å; G217-A220 PolarHBondContact O-N 3.26Å; G217-G221 PolarHBondContact O-N 2.94Å
218G85.3Confident85.4Confident18 Ų1846.7 Ų46.719%0.18627%0.265CS..Hα-helixtrans-63.1-48176.300000112.3L214 F215 G221 I222L214-G218 PolarHBondContact O-N 3.3Å; F215-G218 PolarHBondContact O-N 3.16Å; G218-G221 PolarHBondContact O-N 3.5Å; G218-I222 WeakPolarHBondContact O-CG1 3.28Å; G218-I222 PolarHBondContact O-N 2.9Å
219M88.3Confident86.6Confident48 Ų4845.6 Ų45.624%0.23626%0.259CS..Hα-helixtrans-64.7-43.5176.5-69.6-58.3-59.400111.9M194 F215 A216 G221 I222 F223M194-M219 HydrophobicContact CE-CB 3.83Å; M194-M219 HydrophobicContact CE-CG 3.99Å; F215-M219 HydrophobicContact CD1-CG 4.29Å; F215-M219 HydrophobicContact CE1-CG 3.88Å; F215-M219 HydrophobicContact CE2-CG 4.16Å; F215-M219 HydrophobicContact CE2-SD 4.38Å; F215-M219 HydrophobicContact CZ-CG 3.81Å; F215-M219 HydrophobicContact CZ-SD 4.2Å; F215-M219 WeakPolarHBondContact O-CG 3.46Å; F215-M219 PolarHBondContact O-N 3.32Å; A216-M219 PolarHBondContact O-N 3.46Å; M219-G221 PolarHBondContact O-N 3.41Å; M219-I222 PolarHBondContact O-N 3.49Å; M219-I222 VanDerWaalsContact O-N 3.12Å; M219-I222 HydrophobicContact SD-CD1 4.14Å; M219-F223 HydrophobicContact CB-CE2 4.37Å; M219-F223 HydrophobicContact CE-CE2 3.86Å; M219-F223 HydrophobicContact CE-CZ 4.09Å; M219-F223 WeakPolarHBondContact O-CD2 3.47Å; M219-F223 PolarHBondContact O-N 3.15Å
220A88.2Confident87.4Confident0 Ų042.8 Ų42.80%024%0.238CC..Hα-helixtrans-58.6-38.6173.400000112Y187 A216 G217 F223 N224Y187-A220 HydrophobicContact CD2-CB 3.96Å; Y187-A220 HydrophobicContact CE2-CB 4.02Å; A216-A220 VanDerWaalsContact O-CB 3.29Å; A216-A220 WeakPolarHBondContact O-CB 3.43Å; A216-A220 PolarHBondContact O-N 2.96Å; G217-A220 PolarHBondContact O-N 3.26Å; A220-F223 PolarHBondContact O-N 3.02Å; A220-N224 VanDerWaalsContact O-CB 3.23Å; A220-N224 WeakPolarHBondContact O-CB 3.45Å; A220-N224 PolarHBondContact O-N 3.49Å
221G87.6Confident88.2Confident14 Ų1439.5 Ų39.514%0.14422%0.219CC..Hα-helixtrans-61.6-43.5172.800000113G217 G218 M219 N224 W225G217-G221 PolarHBondContact O-N 2.94Å; G218-G221 PolarHBondContact O-N 3.5Å; M219-G221 PolarHBondContact O-N 3.41Å; G221-N224 PolarHBondContact O-N 2.89Å; G221-W225 PolarHBondContact O-N 3.48Å
222I89.3Confident89Confident57 Ų5737.4 Ų37.429%0.29220%0.198SC..Hα-helixtrans-62.4-49.8176.4-66.9168.1000110.5G218 M219 N224 W225 L226 M274G218-I222 WeakPolarHBondContact O-CG1 3.28Å; G218-I222 PolarHBondContact O-N 2.9Å; M219-I222 PolarHBondContact O-N 3.49Å; M219-I222 VanDerWaalsContact O-N 3.12Å; M219-I222 HydrophobicContact SD-CD1 4.14Å; I222-N224 VanDerWaalsContact C-N 3.35Å; I222-N224 PolarHBondContact O-N 3.36Å; I222-W225 PolarHBondContact O-N 3.42Å; I222-W225 VanDerWaalsContact O-N 3.15Å; I222-L226 HydrophobicContact CG2-CD1 4.38Å; I222-L226 WeakPolarHBondContact O-CG 3.46Å; I222-L226 PolarHBondContact O-N 3.5Å; I222-M274 HydrophobicContact CG2-SD 4.31Å
223F90.5Very high89.5Confident80 Ų8034.5 Ų34.535%0.35119%0.185SC..Hα-helixtrans-62.8-39.8179.3-70.4-60.8000112.9V186 S190 M219 A220 W225 L226 I227V186-F223 HydrophobicContact CG1-CB 3.98Å; S190-F223 WeakPolarHBondContact OG-CB 3.4Å; M219-F223 HydrophobicContact CB-CE2 4.37Å; M219-F223 HydrophobicContact CE-CE2 3.86Å; M219-F223 HydrophobicContact CE-CZ 4.09Å; M219-F223 WeakPolarHBondContact O-CD2 3.47Å; M219-F223 PolarHBondContact O-N 3.15Å; A220-F223 PolarHBondContact O-N 3.02Å; F223-W225 PolarHBondContact O-N 2.97Å; F223-L226 HydrophobicContact CD1-CD1 4.15Å; F223-L226 PolarHBondContact O-N 3.44Å; F223-I227 PolarHBondContact O-N 2.81Å
224N91.2Very high90.1Very high31 Ų3132.9 Ų32.917%0.16617%0.174CC..Hα-helixtrans-53.9-54170.8169.8-38.5000110.2A183 Y187 A220 G221 I222 L226 I227 A228A183-N224 PolarHBondContact O-ND2 2.96Å; Y187-N224 HydrophobicContact CD2-CB 4.22Å; A220-N224 VanDerWaalsContact O-CB 3.23Å; A220-N224 WeakPolarHBondContact O-CB 3.45Å; A220-N224 PolarHBondContact O-N 3.49Å; G221-N224 PolarHBondContact O-N 2.89Å; I222-N224 VanDerWaalsContact C-N 3.35Å; I222-N224 PolarHBondContact O-N 3.36Å; N224-L226 VanDerWaalsContact C-N 3.32Å; N224-L226 PolarHBondContact O-N 2.98Å; N224-I227 PolarHBondContact O-N 3.28Å; N224-I227 VanDerWaalsContact O-N 3.14Å; N224-A228 VanDerWaalsContact O-CB 3.31Å; N224-A228 WeakPolarHBondContact O-CB 3.39Å; N224-A228 PolarHBondContact O-N 3.1Å
225W91.5Very high90.7Very high43 Ų4329.3 Ų29.316%0.16316%0.156CC..Hα-helixtrans-64.6-34-177.3-81.2113.5000113.3G221 I222 F223 I227 A228 I229 V273 M274G221-W225 PolarHBondContact O-N 3.48Å; I222-W225 PolarHBondContact O-N 3.42Å; I222-W225 VanDerWaalsContact O-N 3.15Å; F223-W225 PolarHBondContact O-N 2.97Å; W225-I227 PolarHBondContact O-N 3.49Å; W225-A228 HydrophobicContact CE3-CB 4.1Å; W225-A228 PolarHBondContact O-N 3.04Å; W225-I229 HydrophobicContact CE3-CD1 4.22Å; W225-I229 HydrophobicContact CE3-CG1 4.28Å; W225-I229 WeakPolarHBondContact O-CB 3.39Å; W225-I229 WeakPolarHBondContact O-CG1 3.47Å; W225-I229 PolarHBondContact O-N 3.05Å; W225-V273 HydrophobicContact CB-CG1 3.66Å; W225-V273 HydrophobicContact CD2-CG1 3.36Å; W225-V273 HydrophobicContact CE3-CG1 3.74Å; W225-V273 HydrophobicContact CE3-CG2 4.3Å; W225-V273 HydrophobicContact CG-CG1 3.31Å; W225-V273 HydrophobicContact CZ3-CG2 4.42Å; W225-M274 HydrophobicContact CB-CE 4.02Å
226L91.9Very high91.1Very high58 Ų5823.9 Ų23.930%0.30413%0.132SC..Hα-helixtrans-57.1-38.1174.8-71.4175.3000112.5I222 F223 N224 M270 M274I222-L226 HydrophobicContact CG2-CD1 4.38Å; I222-L226 WeakPolarHBondContact O-CG 3.46Å; I222-L226 PolarHBondContact O-N 3.5Å; F223-L226 HydrophobicContact CD1-CD1 4.15Å; F223-L226 PolarHBondContact O-N 3.44Å; N224-L226 VanDerWaalsContact C-N 3.32Å; N224-L226 PolarHBondContact O-N 2.98Å; L226-M270 HydrophobicContact CD2-CE 3.53Å; L226-M274 HydrophobicContact CD2-CE 4.26Å
227I92.1Very high91.3Very high82 Ų8224.3 Ų24.342%0.42113%0.134SC..Hα-helixtrans-84.7-34.3178.2-62.3-64.3000111.7P182 V186 F223 N224 W225 P231P182-I227 HydrophobicContact CB-CG2 3.99Å; V186-I227 HydrophobicContact CG1-CG1 4.35Å; V186-I227 HydrophobicContact CG2-CG1 4.16Å; F223-I227 PolarHBondContact O-N 2.81Å; N224-I227 PolarHBondContact O-N 3.28Å; N224-I227 VanDerWaalsContact O-N 3.14Å; W225-I227 PolarHBondContact O-N 3.49Å; I227-P231 VanDerWaalsContact O-CD 3.28Å; I227-P231 WeakPolarHBondContact O-CD 3.43Å
228A93.6Very high91.7Very high2 Ų224.1 Ų24.12%0.01713%0.128CC..Hα-helixtrans-75-29.3-177.400000113.2R179 A183 N224 W225 P231 D232R179-A228 HydrophobicContact CG-CB 3.85Å; A183-A228 HydrophobicContact CB-CB 3.83Å; N224-A228 VanDerWaalsContact O-CB 3.31Å; N224-A228 WeakPolarHBondContact O-CB 3.39Å; N224-A228 PolarHBondContact O-N 3.1Å; W225-A228 HydrophobicContact CE3-CB 4.1Å; W225-A228 PolarHBondContact O-N 3.04Å; A228-P231 VanDerWaalsContact O-CD 3.24Å; A228-P231 WeakPolarHBondContact O-CD 3.37Å; A228-P231 VanDerWaalsContact O-CG 3.3Å; A228-P231 WeakPolarHBondContact O-CG 3.37Å; A228-D232 WeakPolarHBondContact O-CB 3.38Å; A228-D232 PolarHBondContact O-N 3.09Å
229I93.6Very high91.9Very high1 Ų123.2 Ų23.21%0.00512%0.119CC..Hα-helixtrans-58.6-52.6-173.2-79.6-75.3000112.6W225 D232 V233 L266 Y267 V273W225-I229 HydrophobicContact CE3-CD1 4.22Å; W225-I229 HydrophobicContact CE3-CG1 4.28Å; W225-I229 WeakPolarHBondContact O-CB 3.39Å; W225-I229 WeakPolarHBondContact O-CG1 3.47Å; W225-I229 PolarHBondContact O-N 3.05Å; I229-D232 WeakPolarHBondContact O-CA 3.39Å; I229-D232 WeakPolarHBondContact O-CB 3.24Å; I229-D232 PolarHBondContact O-N 3.27Å; I229-V233 WeakPolarHBondContact O-CG2 3.35Å; I229-V233 PolarHBondContact O-N 3.4Å; I229-L266 VanDerWaalsContact CG2-O 3.29Å; I229-L266 WeakPolarHBondContact CG2-O 3.48Å; I229-Y267 HydrophobicContact CB-CD1 4.49Å; I229-Y267 HydrophobicContact CG2-CD1 3.82Å; I229-Y267 HydrophobicContact CG2-CG 4.31Å; I229-V273 HydrophobicContact CD1-CB 4.13Å; I229-V273 HydrophobicContact CD1-CG1 4.31Å; I229-V273 HydrophobicContact CD1-CG2 3.78Å
230P94.8Very high91.9Very high23 Ų2322.6 Ų22.615%0.14912%0.119CC..Hα-helixtrans-53.6-54.1179.7-2735.8000114.7D232 V233 L234 L266 Y267P230-D232 VanDerWaalsContact C-N 3.29Å; P230-D232 PolarHBondContact O-N 2.79Å; P230-V233 PolarHBondContact O-N 3.45Å; P230-L234 PolarHBondContact O-N 3.49Å; P230-L266 WeakPolarHBondContact CA-O 3.29Å; P230-L266 HydrophobicContact CB-CB 4.01Å; P230-L266 HydrophobicContact CB-CD2 4.28Å; P230-L266 HydrophobicContact CG-CB 4.42Å; P230-Y267 HydrophobicContact CG-CE1 4.02Å; P230-Y267 HydrophobicContact CG-CE2 4.11Å
231P94.2Very high91.8Very high14 Ų1423.3 Ų23.39%0.09113%0.126CC..Hα-helixtrans-67.7-27.7175.727.3-34.3000113L178 R179 I227 A228 L234 K235L178-P231 HydrophobicContact CB-CB 4.31Å; L178-P231 HydrophobicContact CD2-CB 4.1Å; L178-P231 HydrophobicContact CG-CB 3.9Å; R179-P231 HydrophobicContact CB-CB 4.06Å; R179-P231 HydrophobicContact CB-CG 3.96Å; R179-P231 HydrophobicContact CG-CG 4.25Å; I227-P231 VanDerWaalsContact O-CD 3.28Å; I227-P231 WeakPolarHBondContact O-CD 3.43Å; A228-P231 VanDerWaalsContact O-CD 3.24Å; A228-P231 WeakPolarHBondContact O-CD 3.37Å; A228-P231 VanDerWaalsContact O-CG 3.3Å; A228-P231 WeakPolarHBondContact O-CG 3.37Å; P231-L234 PolarHBondContact O-N 3.13Å; P231-K235 VanDerWaalsContact O-CB 3.25Å; P231-K235 WeakPolarHBondContact O-CB 3.23Å; P231-K235 PolarHBondContact O-N 2.89Å
232D93.8Very high91.6Very high0 Ų026.5 Ų26.50%015%0.146CC..Hα-helixtrans-66.1-37.6175-163.958.7000111.8K36 Q40 R179 A228 I229 P230 K235 S236K36-D232 VanDerWaalsContact CE-OD2 3.3Å; K36-D232 WeakPolarHBondContact CE-OD2 3.46Å; K36-D232 IonicContact NZ-OD1 3.27Å; K36-D232 IonicContact NZ-OD2 3.58Å; K36-D232 PolarHBondContact NZ-OD2 3.19Å; Q40-D232 PolarHBondContact NE2-OD2 2.69Å; R179-D232 WeakPolarHBondContact CD-OD1 3.42Å; R179-D232 HydrophobicContact CG-CB 4.23Å; R179-D232 IonicContact CZ-OD1 3.19Å; R179-D232 IonicContact NE-OD1 3.36Å; R179-D232 IonicContact NH1-OD1 3.26Å; R179-D232 PolarHBondContact NH1-OD1 2.89Å; A228-D232 WeakPolarHBondContact O-CB 3.38Å; A228-D232 PolarHBondContact O-N 3.09Å; I229-D232 WeakPolarHBondContact O-CA 3.39Å; I229-D232 WeakPolarHBondContact O-CB 3.24Å; I229-D232 PolarHBondContact O-N 3.27Å; P230-D232 VanDerWaalsContact C-N 3.29Å; P230-D232 PolarHBondContact O-N 2.79Å; D232-K235 PolarHBondContact O-N 3.29Å; D232-K235 WeakPolarHBondContact OD1-CE 3.21Å; D232-K235 IonicContact OD1-NZ 3.55Å; D232-K235 PolarHBondContact OD1-NZ 3.47Å; D232-S236 VanDerWaalsContact O-CB 3.32Å; D232-S236 WeakPolarHBondContact O-CB 3.5Å; D232-S236 PolarHBondContact O-N 2.63Å; D232-S236 PolarHBondContact O-OG 3.43Å
233V94.7Very high91.1Very high0 Ų029.7 Ų29.70%016%0.159CC..Hα-helixtrans-59.9-49.3172178.80000110.6Q40 I229 P230 K235 S236 R237 L257 L266 R268Q40-V233 HydrophobicContact CG-CG2 3.99Å; I229-V233 WeakPolarHBondContact O-CG2 3.35Å; I229-V233 PolarHBondContact O-N 3.4Å; P230-V233 PolarHBondContact O-N 3.45Å; V233-K235 VanDerWaalsContact C-N 3.33Å; V233-K235 PolarHBondContact O-N 3.12Å; V233-S236 PolarHBondContact O-N 3.37Å; V233-R237 WeakPolarHBondContact O-CG 3.35Å; V233-R237 PolarHBondContact O-N 2.92Å; V233-L257 HydrophobicContact CG1-CD2 4.07Å; V233-L266 WeakPolarHBondContact CG2-O 3.12Å; V233-R268 WeakPolarHBondContact CG2-O 3.5Å
234L94.7Very high90.7Very high12 Ų1228.7 Ų28.76%0.06317%0.171CC..Hα-helixtrans-62.3-42-180-58.7177.7000111.4P230 P231 L238 I250 V253 F254 L257 L266P230-L234 PolarHBondContact O-N 3.49Å; P231-L234 PolarHBondContact O-N 3.13Å; L234-L238 VanDerWaalsContact O-CB 3.3Å; L234-L238 WeakPolarHBondContact O-CB 3.19Å; L234-L238 PolarHBondContact O-N 2.84Å; L234-I250 HydrophobicContact CB-CG2 4.13Å; L234-I250 HydrophobicContact CD1-CG2 3.78Å; L234-V253 HydrophobicContact CB-CG1 4.47Å; L234-V253 HydrophobicContact CD2-CB 4.39Å; L234-V253 HydrophobicContact CD2-CG1 3.85Å; L234-F254 HydrophobicContact CD1-CB 4.34Å; L234-F254 HydrophobicContact CD1-CD2 4.13Å; L234-F254 HydrophobicContact CD2-CB 4.04Å; L234-F254 HydrophobicContact CD2-CD2 4.31Å; L234-L257 HydrophobicContact CD2-CD2 3.9Å; L234-L266 HydrophobicContact CD1-CD2 4.39Å; L234-L266 HydrophobicContact CD2-CD2 4.05Å; L234-L266 HydrophobicContact CG-CD2 4.16Å
235K93.5Very high90.4Very high2 Ų230.7 Ų30.71%0.00918%0.184CC..Hα-helixtrans-60.9-52.6175.8-175.2-147.177.4-173.50111E132 A175 P231 D232 V233 R237 L238 Q239E132-K235 IonicContact OE2-NZ 3.61Å; E132-K235 PolarHBondContact OE2-NZ 3.11Å; A175-K235 HydrophobicContact CB-CB 3.65Å; A175-K235 HydrophobicContact CB-CG 3.85Å; P231-K235 VanDerWaalsContact O-CB 3.25Å; P231-K235 WeakPolarHBondContact O-CB 3.23Å; P231-K235 PolarHBondContact O-N 2.89Å; D232-K235 PolarHBondContact O-N 3.29Å; D232-K235 WeakPolarHBondContact OD1-CE 3.21Å; D232-K235 IonicContact OD1-NZ 3.55Å; D232-K235 PolarHBondContact OD1-NZ 3.47Å; V233-K235 VanDerWaalsContact C-N 3.33Å; V233-K235 PolarHBondContact O-N 3.12Å; K235-R237 VanDerWaalsContact C-N 3.33Å; K235-R237 PolarHBondContact O-N 3.39Å; K235-L238 PolarHBondContact O-N 3.36Å; K235-Q239 VanDerWaalsContact CE-OE1 3.3Å; K235-Q239 HydrophobicContact CG-CG 4.43Å; K235-Q239 VanDerWaalsContact O-CB 3.31Å; K235-Q239 WeakPolarHBondContact O-CB 3.39Å; K235-Q239 WeakPolarHBondContact O-CG 3.5Å; K235-Q239 PolarHBondContact O-N 3.44Å
236S92.6Very high90.3Very high0 Ų030.3 Ų30.30%018%0.183CC..Hα-helixtrans-58.6-44.9-177.9-67.20000111Q40 T41 D232 V233 Q239 S240Q40-S236 PolarHBondContact OE1-OG 3.32Å; T41-S236 WeakPolarHBondContact CG2-O 3.3Å; D232-S236 VanDerWaalsContact O-CB 3.32Å; D232-S236 WeakPolarHBondContact O-CB 3.5Å; D232-S236 PolarHBondContact O-N 2.63Å; D232-S236 PolarHBondContact O-OG 3.43Å; V233-S236 PolarHBondContact O-N 3.37Å; S236-Q239 PolarHBondContact O-N 2.93Å; S236-S240 WeakPolarHBondContact O-CB 3.31Å; S236-S240 PolarHBondContact O-N 2.94Å; S236-S240 PolarHBondContact O-OG 3.39Å
237R92.7Very high89.9Confident9 Ų932.5 Ų32.53%0.03420%0.201CC..Hα-helixtrans-64.9-44.7175.9-71.5-172.3-178.2-150.90.4113.3Q40 H44 V233 K235 Q239 S240 A241 V253 L257 E261Q40-R237 VanDerWaalsContact O-CG 3.3Å; Q40-R237 WeakPolarHBondContact O-CG 3.41Å; Q40-R237 PolarHBondContact O-NE 3.11Å; Q40-R237 PolarHBondContact O-NH2 3.21Å; H44-R237 PolarHBondContact CE1-NH1 2.89Å; V233-R237 WeakPolarHBondContact O-CG 3.35Å; V233-R237 PolarHBondContact O-N 2.92Å; K235-R237 VanDerWaalsContact C-N 3.33Å; K235-R237 PolarHBondContact O-N 3.39Å; R237-Q239 VanDerWaalsContact C-N 3.3Å; R237-Q239 PolarHBondContact O-N 2.85Å; R237-S240 PolarHBondContact O-N 3.07Å; R237-S240 PolarHBondContact O-OG 3.27Å; R237-A241 VanDerWaalsContact O-CB 3.24Å; R237-A241 WeakPolarHBondContact O-CB 3.32Å; R237-A241 PolarHBondContact O-N 3.42Å; R237-V253 HydrophobicContact CB-CG1 3.67Å; R237-V253 HydrophobicContact CG-CG1 4.44Å; R237-L257 VanDerWaalsContact CZ-CD1 3.44Å; R237-L257 VanDerWaalsContact NH1-CD1 3.31Å; R237-E261 IonicContact CZ-OE1 2.84Å; R237-E261 IonicContact NH1-OE1 3.19Å; R237-E261 PolarHBondContact NH1-OE1 2.93Å; R237-E261 VanDerWaalsContact NH2-CD 3.3Å; R237-E261 IonicContact NH2-OE1 3.16Å; R237-E261 PolarHBondContact NH2-OE1 3.17Å; R237-E261 IonicContact NH2-OE2 2.99Å; R237-E261 PolarHBondContact NH2-OE2 2.85Å
238L92.2Very high89.7Confident12 Ų1234.4 Ų34.46%0.06321%0.212CC..Hα-helixtrans-63.3-39.2178.8-177.859.3000111.7K171 A175 L234 K235 Y246 I250 V253K171-L238 WeakPolarHBondContact CE-O 3.39Å; A175-L238 HydrophobicContact CB-CD2 4.42Å; L234-L238 VanDerWaalsContact O-CB 3.3Å; L234-L238 WeakPolarHBondContact O-CB 3.19Å; L234-L238 PolarHBondContact O-N 2.84Å; K235-L238 PolarHBondContact O-N 3.36Å; L238-Y246 HydrophobicContact CD1-CD2 4.26Å; L238-Y246 HydrophobicContact CD1-CG 4.49Å; L238-I250 HydrophobicContact CD2-CG1 3.75Å; L238-V253 HydrophobicContact CB-CG2 4.08Å; L238-V253 HydrophobicContact CD1-CG2 4.21Å
239Q89.2Confident89.5Confident0 Ų035.4 Ų35.40%022%0.222CC..Hα-helixtrans-71.7-48.6177.4-74.7-180-19.200110.4R133 K235 S236 R237 A241R133-Q239 PolarHBondContact NH1-O 2.97Å; R133-Q239 PolarHBondContact NH2-O 3.46Å; K235-Q239 VanDerWaalsContact CE-OE1 3.3Å; K235-Q239 HydrophobicContact CG-CG 4.43Å; K235-Q239 VanDerWaalsContact O-CB 3.31Å; K235-Q239 WeakPolarHBondContact O-CB 3.39Å; K235-Q239 WeakPolarHBondContact O-CG 3.5Å; K235-Q239 PolarHBondContact O-N 3.44Å; S236-Q239 PolarHBondContact O-N 2.93Å; R237-Q239 VanDerWaalsContact C-N 3.3Å; R237-Q239 PolarHBondContact O-N 2.85Å; Q239-A241 PolarHBondContact O-N 3.29Å
240S87.1Confident89.3Confident34 Ų3437 Ų3724%0.23823%0.23CC..Hα-helixtrans-67.9-22.4-178.564.80000113.8T41 S236 R237T41-S240 WeakPolarHBondContact CB-OG 3.47Å; T41-S240 VanDerWaalsContact CG2-OG 3.27Å; T41-S240 WeakPolarHBondContact CG2-OG 3.3Å; S236-S240 WeakPolarHBondContact O-CB 3.31Å; S236-S240 PolarHBondContact O-N 2.94Å; S236-S240 PolarHBondContact O-OG 3.39Å; R237-S240 PolarHBondContact O-N 3.07Å; R237-S240 PolarHBondContact O-OG 3.27Å
241A87.7Confident89.2Confident16 Ų1646 Ų4613%0.13226%0.261CS..SBendtrans-67.6140.7-18000000113.1K171 R237 Q239 V245 Y246K171-A241 PolarHBondContact NZ-O 2.93Å; R237-A241 VanDerWaalsContact O-CB 3.24Å; R237-A241 WeakPolarHBondContact O-CB 3.32Å; R237-A241 PolarHBondContact O-N 3.42Å; Q239-A241 PolarHBondContact O-N 3.29Å; A241-V245 HydrophobicContact CB-CB 4.26Å; A241-V245 HydrophobicContact CB-CG1 4.45Å; A241-Y246 HydrophobicContact CB-CD2 3.53Å; A241-Y246 HydrophobicContact CB-CE2 3.56Å
242S83Confident89.1Confident80 Ų8046.3 Ų46.356%0.55926%0.264SS*.PPolyproline II helixtrans-59.1161.4169.246.20000111.5K171 V245K171-S242 PolarHBondContact NZ-O 3.35Å; S242-V245 WeakPolarHBondContact OG-CG2 3.36Å
243E79.1Confident89.1Confident125 Ų12546.3 Ų46.358%0.58426%0.264SS*.THydrogen-bonded Turntrans-64.8138.3178.6-154.559.1-160.600110.7K171 V245K171-E243 WeakPolarHBondContact CD-OE2 3.32Å; K171-E243 WeakPolarHBondContact CE-OE2 3.21Å; K171-E243 IonicContact NZ-OE2 3.91Å; K171-E243 PolarHBondContact NZ-OE2 3.47Å; E243-V245 PolarHBondContact O-N 3.4Å
244G80.8Confident89.1Confident58 Ų5850.4 Ų50.460%0.59828%0.282SS*.THydrogen-bonded Turntrans88.1-18.1-178.900000116.8Y246G244-Y246 VanDerWaalsContact C-N 3.33Å; G244-Y246 PolarHBondContact O-N 3Å
245V85.9Confident89.1Confident73 Ų7353.7 Ų53.744%0.44231%0.306SS..SBendtrans-63.8-37.3-178.31760000112.7A241 S242 E243 P247A241-V245 HydrophobicContact CB-CB 4.26Å; A241-V245 HydrophobicContact CB-CG1 4.45Å; S242-V245 WeakPolarHBondContact OG-CG2 3.36Å; E243-V245 PolarHBondContact O-N 3.4Å; V245-P247 WeakPolarHBondContact O-CD 3.22Å
246Y89.1Confident89Confident35 Ų3556 Ų5614%0.13732%0.317CS..  trans-122.875.3-178.3-64.3-55.9000110.7L238 A241 G244 N248 G249 S252 V253 E256L238-Y246 HydrophobicContact CD1-CD2 4.26Å; L238-Y246 HydrophobicContact CD1-CG 4.49Å; A241-Y246 HydrophobicContact CB-CD2 3.53Å; A241-Y246 HydrophobicContact CB-CE2 3.56Å; G244-Y246 VanDerWaalsContact C-N 3.33Å; G244-Y246 PolarHBondContact O-N 3Å; Y246-N248 PolarHBondContact O-N 3.35Å; Y246-G249 PolarHBondContact O-N 3.14Å; Y246-S252 WeakPolarHBondContact CA-OG 3.37Å; Y246-S252 WeakPolarHBondContact CB-OG 3.45Å; Y246-V253 HydrophobicContact CD1-CG2 3.76Å; Y246-V253 HydrophobicContact CD2-CG2 3.47Å; Y246-V253 VanDerWaalsContact CD2-CG2 3.47Å; Y246-V253 HydrophobicContact CE1-CG2 3.97Å; Y246-V253 HydrophobicContact CE2-CG2 3.67Å; Y246-V253 HydrophobicContact CG-CG2 3.5Å; Y246-E256 PolarHBondContact OH-OE1 2.92Å
247P83.6Confident89Confident104 Ų10456 Ų5668%0.67532%0.317SS*.THydrogen-bonded Turntrans-64.3-30.1-174.926-34.2000112.5V245 G249V245-P247 WeakPolarHBondContact O-CD 3.22Å; P247-G249 VanDerWaalsContact C-N 3.28Å; P247-G249 PolarHBondContact O-N 3.26Å
248N87.2Confident89.1Confident123 Ų12357.5 Ų57.566%0.65833%0.325SS*.THydrogen-bonded Turntrans-91.716.1177.3-61.2-38.9000112.7Y246 I250 R251 S252Y246-N248 PolarHBondContact O-N 3.35Å; N248-I250 PolarHBondContact O-N 2.89Å; N248-R251 PolarHBondContact O-N 3.35Å; N248-S252 PolarHBondContact N-OG 2.93Å
249G88.9Confident89.1Confident22 Ų2261 Ų6123%0.22736%0.356CS..THydrogen-bonded Turntrans59.2-133.5178.100000113.3Y246 P247 R251 S252 V253Y246-G249 PolarHBondContact O-N 3.14Å; P247-G249 VanDerWaalsContact C-N 3.28Å; P247-G249 PolarHBondContact O-N 3.26Å; G249-R251 PolarHBondContact O-N 3.21Å; G249-S252 PolarHBondContact N-OG 3.48Å; G249-S252 PolarHBondContact O-N 3.3Å; G249-S252 PolarHBondContact O-OG 2.92Å; G249-V253 PolarHBondContact O-N 2.82Å
250I90.6Very high89.2Confident34 Ų3466.7 Ų66.717%0.17438%0.38CS..Hα-helixtrans-58.3-34.7-176.3-60.6169.1000111.9A174 A175 L234 L238 N248 S252 V253 F254A174-I250 HydrophobicContact CB-CD1 4.21Å; A175-I250 HydrophobicContact CB-CD1 3.44Å; A175-I250 VanDerWaalsContact CB-CD1 3.44Å; A175-I250 HydrophobicContact CB-CG1 3.73Å; L234-I250 HydrophobicContact CB-CG2 4.13Å; L234-I250 HydrophobicContact CD1-CG2 3.78Å; L238-I250 HydrophobicContact CD2-CG1 3.75Å; N248-I250 PolarHBondContact O-N 2.89Å; I250-S252 PolarHBondContact O-N 3.01Å; I250-V253 PolarHBondContact O-N 2.89Å; I250-F254 WeakPolarHBondContact O-CB 3.46Å; I250-F254 PolarHBondContact O-N 3.5Å
251R92.7Very high89.2Confident212 Ų21267.2 Ų67.280%0.838%0.379SS*.Hα-helixtrans-64.4-41.7-178.1-65.5-178.8-178.9171.4-0.1111.5N248 G249 F254 S255N248-R251 PolarHBondContact O-N 3.35Å; G249-R251 PolarHBondContact O-N 3.21Å; R251-F254 PolarHBondContact O-N 3.33Å; R251-S255 WeakPolarHBondContact O-CB 3.37Å; R251-S255 PolarHBondContact O-N 3.35Å
252S92.3Very high89.4Confident22 Ų2267.7 Ų67.715%0.15439%0.386CS..Hα-helixtrans-65.6-38.9174.437.10000112.3Y246 N248 G249 I250 E256Y246-S252 WeakPolarHBondContact CA-OG 3.37Å; Y246-S252 WeakPolarHBondContact CB-OG 3.45Å; N248-S252 PolarHBondContact N-OG 2.93Å; G249-S252 PolarHBondContact N-OG 3.48Å; G249-S252 PolarHBondContact O-N 3.3Å; G249-S252 PolarHBondContact O-OG 2.92Å; I250-S252 PolarHBondContact O-N 3.01Å; S252-E256 WeakPolarHBondContact O-CB 3.21Å; S252-E256 PolarHBondContact O-N 3.12Å
253V92.9Very high89.9Confident0 Ų071 Ų710%039%0.39CS..Hα-helixtrans-63.6-45.7175.7-177.80000110.9L234 R237 L238 Y246 G249 I250 E256 L257L234-V253 HydrophobicContact CB-CG1 4.47Å; L234-V253 HydrophobicContact CD2-CB 4.39Å; L234-V253 HydrophobicContact CD2-CG1 3.85Å; R237-V253 HydrophobicContact CB-CG1 3.67Å; R237-V253 HydrophobicContact CG-CG1 4.44Å; L238-V253 HydrophobicContact CB-CG2 4.08Å; L238-V253 HydrophobicContact CD1-CG2 4.21Å; Y246-V253 HydrophobicContact CD1-CG2 3.76Å; Y246-V253 HydrophobicContact CD2-CG2 3.47Å; Y246-V253 VanDerWaalsContact CD2-CG2 3.47Å; Y246-V253 HydrophobicContact CE1-CG2 3.97Å; Y246-V253 HydrophobicContact CE2-CG2 3.67Å; Y246-V253 HydrophobicContact CG-CG2 3.5Å; G249-V253 PolarHBondContact O-N 2.82Å; I250-V253 PolarHBondContact O-N 2.89Å; V253-E256 PolarHBondContact O-N 2.94Å; V253-L257 VanDerWaalsContact O-CB 3.23Å; V253-L257 WeakPolarHBondContact O-CB 3.36Å; V253-L257 PolarHBondContact O-N 3.06Å
254F94.7Very high90.5Very high86 Ų8672.1 Ų72.138%0.37740%0.4SS..Hα-helixtrans-62.6-49.5179.5177.9-97.3000111.5L234 I250 R251 E256 L257 I258 L266L234-F254 HydrophobicContact CD1-CB 4.34Å; L234-F254 HydrophobicContact CD1-CD2 4.13Å; L234-F254 HydrophobicContact CD2-CB 4.04Å; L234-F254 HydrophobicContact CD2-CD2 4.31Å; I250-F254 WeakPolarHBondContact O-CB 3.46Å; I250-F254 PolarHBondContact O-N 3.5Å; R251-F254 PolarHBondContact O-N 3.33Å; F254-E256 VanDerWaalsContact C-N 3.33Å; F254-E256 PolarHBondContact O-N 3.49Å; F254-L257 PolarHBondContact O-N 2.93Å; F254-I258 HydrophobicContact CD1-CG1 4.34Å; F254-I258 HydrophobicContact CD2-CG1 4.21Å; F254-I258 HydrophobicContact CE1-CG1 3.97Å; F254-I258 HydrophobicContact CE2-CD1 4.08Å; F254-I258 HydrophobicContact CE2-CG1 3.83Å; F254-I258 HydrophobicContact CG-CG1 4.46Å; F254-I258 HydrophobicContact CZ-CD1 4.22Å; F254-I258 HydrophobicContact CZ-CG1 3.7Å; F254-I258 WeakPolarHBondContact O-CG1 3.49Å; F254-I258 PolarHBondContact O-N 2.9Å; F254-L266 HydrophobicContact CD2-CD2 4.29Å; F254-L266 HydrophobicContact CE2-CD1 4.17Å; F254-L266 HydrophobicContact CE2-CD2 4.41Å
255S94.2Very high91Very high81 Ų8169.6 Ų69.657%0.56637%0.374SS*.Hα-helixtrans-59.6-43.8178.8178.40000111.8R251 A259R251-S255 WeakPolarHBondContact O-CB 3.37Å; R251-S255 PolarHBondContact O-N 3.35Å; S255-A259 WeakPolarHBondContact O-CB 3.03Å; S255-A259 PolarHBondContact O-N 2.8Å; S255-A259 VanDerWaalsContact O-N 3.1Å
256E92.7Very high91.4Very high49 Ų4966.9 Ų66.923%0.22936%0.357CS..Hα-helixtrans-64-46175.8179.5179.385.300112.2H44 Y246 S252 V253 F254 A259 K260H44-E256 IonicContact CD2-OE1 3.82Å; H44-E256 IonicContact CE1-OE1 2.82Å; H44-E256 VanDerWaalsContact NE2-CD 3.32Å; H44-E256 IonicContact NE2-OE1 2.82Å; H44-E256 PolarHBondContact NE2-OE1 3.23Å; H44-E256 IonicContact NE2-OE2 3.88Å; Y246-E256 PolarHBondContact OH-OE1 2.92Å; S252-E256 WeakPolarHBondContact O-CB 3.21Å; S252-E256 PolarHBondContact O-N 3.12Å; V253-E256 PolarHBondContact O-N 2.94Å; F254-E256 VanDerWaalsContact C-N 3.33Å; F254-E256 PolarHBondContact O-N 3.49Å; E256-A259 PolarHBondContact O-N 3.43Å; E256-K260 HydrophobicContact CG-CD 3.73Å; E256-K260 HydrophobicContact CG-CG 4.44Å; E256-K260 WeakPolarHBondContact O-CB 3.35Å; E256-K260 WeakPolarHBondContact O-CG 3.41Å; E256-K260 PolarHBondContact O-N 2.96Å; E256-K260 IonicContact OE2-NZ 2.76Å; E256-K260 PolarHBondContact OE2-NZ 3.09Å
257L92.7Very high91.6Very high0 Ų070.2 Ų70.20%037%0.37CS..Hα-helixtrans-61-47.2-178.4178.770.3000111.2V233 L234 R237 V253 F254 A259 K260 E261 G262 L266V233-L257 HydrophobicContact CG1-CD2 4.07Å; L234-L257 HydrophobicContact CD2-CD2 3.9Å; R237-L257 VanDerWaalsContact CZ-CD1 3.44Å; R237-L257 VanDerWaalsContact NH1-CD1 3.31Å; V253-L257 VanDerWaalsContact O-CB 3.23Å; V253-L257 WeakPolarHBondContact O-CB 3.36Å; V253-L257 PolarHBondContact O-N 3.06Å; F254-L257 PolarHBondContact O-N 2.93Å; L257-A259 VanDerWaalsContact C-N 3.34Å; L257-A259 PolarHBondContact O-N 2.89Å; L257-K260 PolarHBondContact O-N 3.34Å; L257-E261 HydrophobicContact CD1-CB 4.04Å; L257-E261 HydrophobicContact CD1-CG 4.3Å; L257-E261 WeakPolarHBondContact O-CA 3.26Å; L257-E261 PolarHBondContact O-N 3.11Å; L257-G262 PolarHBondContact O-N 2.8Å; L257-L266 HydrophobicContact CD2-CD2 3.51Å; L257-L266 HydrophobicContact CD2-CG 3.93Å
258I94.1Very high92.1Very high41 Ų4168.4 Ų68.421%0.2135%0.349CS..Hα-helixtrans-66.1-38.9179.8-63.1-56.4000111F254 K260 G262 F263 L266F254-I258 HydrophobicContact CD1-CG1 4.34Å; F254-I258 HydrophobicContact CD2-CG1 4.21Å; F254-I258 HydrophobicContact CE1-CG1 3.97Å; F254-I258 HydrophobicContact CE2-CD1 4.08Å; F254-I258 HydrophobicContact CE2-CG1 3.83Å; F254-I258 HydrophobicContact CG-CG1 4.46Å; F254-I258 HydrophobicContact CZ-CD1 4.22Å; F254-I258 HydrophobicContact CZ-CG1 3.7Å; F254-I258 WeakPolarHBondContact O-CG1 3.49Å; F254-I258 PolarHBondContact O-N 2.9Å; I258-K260 VanDerWaalsContact C-N 3.34Å; I258-K260 PolarHBondContact O-N 3.16Å; I258-G262 VanDerWaalsContact O-CA 3.28Å; I258-G262 WeakPolarHBondContact O-CA 3.23Å; I258-G262 PolarHBondContact O-N 2.84Å; I258-G262 VanDerWaalsContact O-N 3.11Å; I258-F263 HydrophobicContact CD1-CD1 3.72Å; I258-F263 HydrophobicContact CD1-CE1 3.96Å; I258-F263 HydrophobicContact CD1-CG 4.05Å; I258-F263 HydrophobicContact CD1-CZ 4.48Å; I258-F263 HydrophobicContact CG2-CE2 4.43Å; I258-L266 HydrophobicContact CD1-CD1 4.12Å; I258-L266 HydrophobicContact CD1-CG 4.39Å
259A92.6Very high92.3Very high86 Ų8662.8 Ų62.871%0.71132%0.321SS*.Hα-helixtrans-67.3-32.7178.500000113.1S255 E256 L257S255-A259 WeakPolarHBondContact O-CB 3.03Å; S255-A259 PolarHBondContact O-N 2.8Å; S255-A259 VanDerWaalsContact O-N 3.1Å; E256-A259 PolarHBondContact O-N 3.43Å; L257-A259 VanDerWaalsContact C-N 3.34Å; L257-A259 PolarHBondContact O-N 2.89Å
260K90.4Very high92.6Very high119 Ų11964.9 Ų64.952%0.51733%0.326SS..Hα-helixtrans-100.4-33.6-173.9-66.9179.8179.4170.30114.6H44 E256 L257 I258H44-K260 HydrophobicContact CB-CD 4.16Å; H44-K260 VanDerWaalsContact CE1-CD 3.48Å; H44-K260 WeakPolarHBondContact CE1-CD 3.34Å; H44-K260 VanDerWaalsContact CG-CD 3.49Å; H44-K260 WeakPolarHBondContact ND1-CD 3.46Å; E256-K260 HydrophobicContact CG-CD 3.73Å; E256-K260 HydrophobicContact CG-CG 4.44Å; E256-K260 WeakPolarHBondContact O-CB 3.35Å; E256-K260 WeakPolarHBondContact O-CG 3.41Å; E256-K260 PolarHBondContact O-N 2.96Å; E256-K260 IonicContact OE2-NZ 2.76Å; E256-K260 PolarHBondContact OE2-NZ 3.09Å; L257-K260 PolarHBondContact O-N 3.34Å; I258-K260 VanDerWaalsContact C-N 3.34Å; I258-K260 PolarHBondContact O-N 3.16Å
261E88.5Confident92.8Very high45 Ų4566.9 Ų66.921%0.2134%0.34CS..Hα-helixtrans-123.5-8.1-173.8-66.8176.9-130.800113.3H44 R237 L257 R268H44-E261 IonicContact CE1-OE1 3.98Å; H44-E261 PolarHBondContact CE1-OE1 3.03Å; H44-E261 IonicContact ND1-OE1 3.44Å; H44-E261 PolarHBondContact ND1-OE1 2.91Å; R237-E261 IonicContact CZ-OE1 2.84Å; R237-E261 IonicContact NH1-OE1 3.19Å; R237-E261 PolarHBondContact NH1-OE1 2.93Å; R237-E261 VanDerWaalsContact NH2-CD 3.3Å; R237-E261 IonicContact NH2-OE1 3.16Å; R237-E261 PolarHBondContact NH2-OE1 3.17Å; R237-E261 IonicContact NH2-OE2 2.99Å; R237-E261 PolarHBondContact NH2-OE2 2.85Å; L257-E261 HydrophobicContact CD1-CB 4.04Å; L257-E261 HydrophobicContact CD1-CG 4.3Å; L257-E261 WeakPolarHBondContact O-CA 3.26Å; L257-E261 PolarHBondContact O-N 3.11Å; E261-R268 IonicContact OE1-NH1 3.81Å; E261-R268 IonicContact OE2-CZ 2.79Å; E261-R268 IonicContact OE2-NH1 3.63Å; E261-R268 PolarHBondContact OE2-NH1 3.35Å
262G91.7Very high92.8Very high27 Ų2756.9 Ų56.928%0.27830%0.302SS..THydrogen-bonded Turntrans65.2-170.2-173.900000113.4L257 I258 L264 G265L257-G262 PolarHBondContact O-N 2.8Å; I258-G262 VanDerWaalsContact O-CA 3.28Å; I258-G262 WeakPolarHBondContact O-CA 3.23Å; I258-G262 PolarHBondContact O-N 2.84Å; I258-G262 VanDerWaalsContact O-N 3.11Å; G262-L264 VanDerWaalsContact C-N 3.27Å; G262-L264 PolarHBondContact O-N 3.13Å; G262-G265 PolarHBondContact O-N 2.86Å; G262-G265 VanDerWaalsContact O-N 3.13Å
263F93Very high92.9Very high148 Ų14855.9 Ų55.965%0.64930%0.295SS*.G310 helixtrans-65.8-26.5-176.7-73.9-81.2000113.9I258 G265 L266I258-F263 HydrophobicContact CD1-CD1 3.72Å; I258-F263 HydrophobicContact CD1-CE1 3.96Å; I258-F263 HydrophobicContact CD1-CG 4.05Å; I258-F263 HydrophobicContact CD1-CZ 4.48Å; I258-F263 HydrophobicContact CG2-CE2 4.43Å; F263-G265 PolarHBondContact O-N 3.35Å; F263-L266 HydrophobicContact CD1-CD1 4.17Å; F263-L266 WeakPolarHBondContact O-CB 3.44Å; F263-L266 PolarHBondContact O-N 3.34Å
264L91.5Very high92.8Very high149 Ų14958.6 Ų58.678%0.7831%0.308SS*.G310 helixtrans-67-24.8175.8-66.5178.2000112.3G262 L266 Y267G262-L264 VanDerWaalsContact C-N 3.27Å; G262-L264 PolarHBondContact O-N 3.13Å; L264-L266 PolarHBondContact O-N 2.94Å; L264-Y267 PolarHBondContact O-N 3.5Å
265G91Very high92.7Very high5 Ų558.2 Ų58.25%0.05231%0.31CS..G310 helixtrans-58.5-27.9173.100000113.4G262 F263 Y267 R268G262-G265 PolarHBondContact O-N 2.86Å; G262-G265 VanDerWaalsContact O-N 3.13Å; F263-G265 PolarHBondContact O-N 3.35Å; G265-Y267 PolarHBondContact O-N 2.85Å; G265-R268 VanDerWaalsContact O-CB 3.27Å; G265-R268 WeakPolarHBondContact O-CB 3.08Å; G265-R268 PolarHBondContact O-N 2.94Å
266L94.1Very high92.7Very high17 Ų1756.2 Ų56.29%0.08929%0.29CS..G310 helixtrans-67.9-20.7175.2-68.9167.4000113.2I229 P230 V233 L234 F254 L257 I258 F263 L264I229-L266 VanDerWaalsContact CG2-O 3.29Å; I229-L266 WeakPolarHBondContact CG2-O 3.48Å; P230-L266 WeakPolarHBondContact CA-O 3.29Å; P230-L266 HydrophobicContact CB-CB 4.01Å; P230-L266 HydrophobicContact CB-CD2 4.28Å; P230-L266 HydrophobicContact CG-CB 4.42Å; V233-L266 WeakPolarHBondContact CG2-O 3.12Å; L234-L266 HydrophobicContact CD1-CD2 4.39Å; L234-L266 HydrophobicContact CD2-CD2 4.05Å; L234-L266 HydrophobicContact CG-CD2 4.16Å; F254-L266 HydrophobicContact CD2-CD2 4.29Å; F254-L266 HydrophobicContact CE2-CD1 4.17Å; F254-L266 HydrophobicContact CE2-CD2 4.41Å; L257-L266 HydrophobicContact CD2-CD2 3.51Å; L257-L266 HydrophobicContact CD2-CG 3.93Å; I258-L266 HydrophobicContact CD1-CD1 4.12Å; I258-L266 HydrophobicContact CD1-CG 4.39Å; F263-L266 HydrophobicContact CD1-CD1 4.17Å; F263-L266 WeakPolarHBondContact O-CB 3.44Å; F263-L266 PolarHBondContact O-N 3.34Å; L264-L266 PolarHBondContact O-N 2.94Å
267Y94.8Very high92.5Very high104 Ų10454.9 Ų54.941%0.40829%0.287SS..G310 helixtrans-99.912178.3-71.6-88000113.2I229 P230 L264 G265 G269 M270I229-Y267 HydrophobicContact CB-CD1 4.49Å; I229-Y267 HydrophobicContact CG2-CD1 3.82Å; I229-Y267 HydrophobicContact CG2-CG 4.31Å; P230-Y267 HydrophobicContact CG-CE1 4.02Å; P230-Y267 HydrophobicContact CG-CE2 4.11Å; L264-Y267 PolarHBondContact O-N 3.5Å; G265-Y267 PolarHBondContact O-N 2.85Å; Y267-G269 PolarHBondContact O-N 3.46Å; Y267-M270 HydrophobicContact CD1-SD 4.12Å; Y267-M270 WeakPolarHBondContact O-CB 3.45Å; Y267-M270 PolarHBondContact O-N 3.5Å
268R92.7Very high92.3Very high66 Ų6663 Ų6325%0.24932%0.323CS..THydrogen-bonded Turntrans-64.2130.9178.2-160.7166.4-164152.714.4110.9L39 Q40 M42 V233 E261 G265L39-R268 WeakPolarHBondContact O-CD 3.27Å; L39-R268 WeakPolarHBondContact O-CG 3.19Å; L39-R268 PolarHBondContact O-NE 2.65Å; L39-R268 VanDerWaalsContact O-NE 3.11Å; Q40-R268 WeakPolarHBondContact CG-O 3.35Å; Q40-R268 PolarHBondContact NE2-O 3.11Å; M42-R268 PolarHBondContact SD-NH2 3.06Å; V233-R268 WeakPolarHBondContact CG2-O 3.5Å; E261-R268 IonicContact OE1-NH1 3.81Å; E261-R268 IonicContact OE2-CZ 2.79Å; E261-R268 IonicContact OE2-NH1 3.63Å; E261-R268 PolarHBondContact OE2-NH1 3.35Å; G265-R268 VanDerWaalsContact O-CB 3.27Å; G265-R268 WeakPolarHBondContact O-CB 3.08Å; G265-R268 PolarHBondContact O-N 2.94Å
269G92.9Very high92.1Very high6 Ų663.1 Ų63.16%0.06233%0.326CS..THydrogen-bonded Turntrans86.54.9-173.400000114.6Y267 T271 P272 V273Y267-G269 PolarHBondContact O-N 3.46Å; G269-T271 VanDerWaalsContact C-N 3.32Å; G269-T271 PolarHBondContact O-N 3.49Å; G269-P272 WeakPolarHBondContact O-CD 3.29Å; G269-P272 WeakPolarHBondContact O-CG 3.47Å; G269-V273 PolarHBondContact O-N 2.96Å
270M94.2Very high92.1Very high65 Ų6559 Ų5932%0.3229%0.292SS..Hα-helixtrans-59.8-40.6173.7-177.4178.8-178.700112.4L226 Y267 V273 M274L226-M270 HydrophobicContact CD2-CE 3.53Å; Y267-M270 HydrophobicContact CD1-SD 4.12Å; Y267-M270 WeakPolarHBondContact O-CB 3.45Å; Y267-M270 PolarHBondContact O-N 3.5Å; M270-V273 PolarHBondContact O-N 2.89Å; M270-V273 VanDerWaalsContact O-N 3.16Å; M270-M274 HydrophobicContact CE-CE 4.05Å; M270-M274 HydrophobicContact CE-CG 4.4Å; M270-M274 HydrophobicContact CG-CE 4.05Å; M270-M274 HydrophobicContact CG-CG 4Å; M270-M274 WeakPolarHBondContact O-CG 3.49Å; M270-M274 PolarHBondContact O-N 2.93Å
271T94.2Very high92Very high77 Ų7756.6 Ų56.647%0.47229%0.285SS..Hα-helixtrans-55.5-55.9-179.8-51.50000113.5T56 G269 V273 M274 L275T56-T271 HydrophobicContact CG2-CG2 4.47Å; T56-T271 WeakPolarHBondContact OG1-CB 3.42Å; G269-T271 VanDerWaalsContact C-N 3.32Å; G269-T271 PolarHBondContact O-N 3.49Å; T271-V273 VanDerWaalsContact C-N 3.26Å; T271-V273 PolarHBondContact O-N 3.47Å; T271-M274 PolarHBondContact O-N 3.2Å; T271-L275 HydrophobicContact CG2-CD1 3.98Å; T271-L275 HydrophobicContact CG2-CG 4.46Å; T271-L275 WeakPolarHBondContact O-CG 3.23Å; T271-L275 PolarHBondContact O-N 3.37Å
272P94.6Very high92.1Very high1 Ų156 Ų561%0.00629%0.288CS..Hα-helixtrans-61.7-33.7177.322-32.3000112.4F32 I35 K36 L39 T56 G269 L275 R276F32-P272 HydrophobicContact CB-CB 4.39Å; I35-P272 HydrophobicContact CB-CB 4.44Å; I35-P272 HydrophobicContact CG2-CB 4.32Å; I35-P272 HydrophobicContact CG2-CG 4.38Å; K36-P272 HydrophobicContact CB-CB 4.37Å; K36-P272 HydrophobicContact CB-CG 3.82Å; L39-P272 HydrophobicContact CD1-CG 4.27Å; T56-P272 HydrophobicContact CG2-CB 4.11Å; T56-P272 HydrophobicContact CG2-CG 4.36Å; G269-P272 WeakPolarHBondContact O-CD 3.29Å; G269-P272 WeakPolarHBondContact O-CG 3.47Å; P272-L275 PolarHBondContact O-N 3.49Å; P272-R276 VanDerWaalsContact O-CB 3.24Å; P272-R276 WeakPolarHBondContact O-CB 3.22Å; P272-R276 PolarHBondContact O-N 2.9Å
273V93.5Very high92.1Very high2 Ų255.5 Ų55.51%0.01228%0.282CS..Hα-helixtrans-64.3-43.2176.3169.20000112.4K36 W225 I229 G269 M270 T271 R276 A277K36-V273 HydrophobicContact CB-CG2 4.4Å; K36-V273 HydrophobicContact CD-CG2 3.31Å; K36-V273 HydrophobicContact CG-CG2 3.84Å; W225-V273 HydrophobicContact CB-CG1 3.66Å; W225-V273 HydrophobicContact CD2-CG1 3.36Å; W225-V273 HydrophobicContact CE3-CG1 3.74Å; W225-V273 HydrophobicContact CE3-CG2 4.3Å; W225-V273 HydrophobicContact CG-CG1 3.31Å; W225-V273 HydrophobicContact CZ3-CG2 4.42Å; I229-V273 HydrophobicContact CD1-CB 4.13Å; I229-V273 HydrophobicContact CD1-CG1 4.31Å; I229-V273 HydrophobicContact CD1-CG2 3.78Å; G269-V273 PolarHBondContact O-N 2.96Å; M270-V273 PolarHBondContact O-N 2.89Å; M270-V273 VanDerWaalsContact O-N 3.16Å; T271-V273 VanDerWaalsContact C-N 3.26Å; T271-V273 PolarHBondContact O-N 3.47Å; V273-R276 WeakPolarHBondContact O-CB 3.29Å; V273-R276 PolarHBondContact O-N 3.31Å; V273-A277 PolarHBondContact O-N 2.8Å
274M91.8Very high92.1Very high56 Ų5650.6 Ų50.628%0.27627%0.265SS..Hα-helixtrans-69.7-40.3177.9-63.1-58146.500111.5I222 W225 L226 M270 T271 R276 A277I222-M274 HydrophobicContact CG2-SD 4.31Å; W225-M274 HydrophobicContact CB-CE 4.02Å; L226-M274 HydrophobicContact CD2-CE 4.26Å; M270-M274 HydrophobicContact CE-CE 4.05Å; M270-M274 HydrophobicContact CE-CG 4.4Å; M270-M274 HydrophobicContact CG-CE 4.05Å; M270-M274 HydrophobicContact CG-CG 4Å; M270-M274 WeakPolarHBondContact O-CG 3.49Å; M270-M274 PolarHBondContact O-N 2.93Å; T271-M274 PolarHBondContact O-N 3.2Å; M274-R276 VanDerWaalsContact C-N 3.27Å; M274-R276 PolarHBondContact O-N 2.92Å; M274-A277 WeakPolarHBondContact O-CB 3.45Å; M274-A277 PolarHBondContact O-N 2.88Å
275L92.6Very high91.9Very high79 Ų7946.3 Ų46.341%0.41424%0.24SC..Hα-helixtrans-63.4-33.1174.1-70.5173.1000112.5F32 T271 P272 A277 P279F32-L275 HydrophobicContact CD1-CB 3.96Å; F32-L275 HydrophobicContact CE1-CB 3.74Å; T271-L275 HydrophobicContact CG2-CD1 3.98Å; T271-L275 HydrophobicContact CG2-CG 4.46Å; T271-L275 WeakPolarHBondContact O-CG 3.23Å; T271-L275 PolarHBondContact O-N 3.37Å; P272-L275 PolarHBondContact O-N 3.49Å; L275-A277 VanDerWaalsContact C-N 3.33Å; L275-P279 WeakPolarHBondContact O-CD 3.4Å
276R92.7Very high91.9Very high39 Ų3951.3 Ų51.315%0.14727%0.265CS..Hα-helixtrans-67.1-32.5177.5-165.6-172.290.9124.416.1113G29 F32 D33 P272 V273 M274 F278 P279 A280G29-R276 WeakPolarHBondContact O-CD 2.98Å; F32-R276 HydrophobicContact CB-CB 3.62Å; F32-R276 HydrophobicContact CB-CG 3.68Å; F32-R276 HydrophobicContact CD1-CB 4.14Å; F32-R276 HydrophobicContact CD2-CB 4.09Å; F32-R276 HydrophobicContact CD2-CG 3.85Å; F32-R276 HydrophobicContact CG-CB 3.69Å; F32-R276 HydrophobicContact CG-CG 3.86Å; D33-R276 WeakPolarHBondContact OD1-CD 3.18Å; D33-R276 IonicContact OD1-CZ 2.8Å; D33-R276 IonicContact OD1-NE 3.62Å; D33-R276 IonicContact OD1-NH1 2.89Å; D33-R276 PolarHBondContact OD1-NH1 2.59Å; D33-R276 IonicContact OD2-NH1 2.69Å; D33-R276 PolarHBondContact OD2-NH1 3.24Å; P272-R276 VanDerWaalsContact O-CB 3.24Å; P272-R276 WeakPolarHBondContact O-CB 3.22Å; P272-R276 PolarHBondContact O-N 2.9Å; V273-R276 WeakPolarHBondContact O-CB 3.29Å; V273-R276 PolarHBondContact O-N 3.31Å; M274-R276 VanDerWaalsContact C-N 3.27Å; M274-R276 PolarHBondContact O-N 2.92Å; R276-F278 PolarHBondContact O-N 3.29Å; R276-P279 WeakPolarHBondContact O-CD 3.16Å; R276-A280 HydrophobicContact CG-CB 3.99Å; R276-A280 WeakPolarHBondContact O-CB 3.19Å; R276-A280 PolarHBondContact O-N 2.87Å
277A88.8Confident91.9Very high21 Ų2150.8 Ų50.817%0.17426%0.264CS..Hα-helixtrans-56-51-16600000112.1V273 M274 L275 N281V273-A277 PolarHBondContact O-N 2.8Å; M274-A277 WeakPolarHBondContact O-CB 3.45Å; M274-A277 PolarHBondContact O-N 2.88Å; L275-A277 VanDerWaalsContact C-N 3.33Å; A277-N281 VanDerWaalsContact O-CB 3.23Å; A277-N281 WeakPolarHBondContact O-CB 3.37Å; A277-N281 PolarHBondContact O-N 3.36Å; A277-N281 PolarHBondContact O-ND2 2.76Å
278F87.6Confident91.7Very high170 Ų17048.7 Ų48.775%0.74626%0.255SS*.Hα-helixtrans-69.7-54.3-178.7178.2-91.2000113R276 A280 N281 A282R276-F278 PolarHBondContact O-N 3.29Å; F278-A280 PolarHBondContact O-N 3.39Å; F278-N281 PolarHBondContact O-N 3.5Å; F278-A282 WeakPolarHBondContact O-CB 3.24Å; F278-A282 PolarHBondContact O-N 2.87Å
279P91.6Very high91.5Very high43 Ų4348.1 Ų48.128%0.27926%0.256SS..Hα-helixtrans-62-41.6-177.5-24.335.6000113.9I28 F32 L275 R276 A282 A283I28-P279 HydrophobicContact CG2-CB 3.73Å; F32-P279 HydrophobicContact CZ-CG 4.49Å; L275-P279 WeakPolarHBondContact O-CD 3.4Å; R276-P279 WeakPolarHBondContact O-CD 3.16Å; P279-A282 PolarHBondContact O-N 2.83Å; P279-A283 WeakPolarHBondContact O-CB 3.42Å; P279-A283 PolarHBondContact O-N 3.35Å
280A92Very high91.5Very high0 Ų052.2 Ų52.20%028%0.279CS..Hα-helixtrans-68.1-41.7-179.200000111.6R276 F278 A283 C284R276-A280 HydrophobicContact CG-CB 3.99Å; R276-A280 WeakPolarHBondContact O-CB 3.19Å; R276-A280 PolarHBondContact O-N 2.87Å; F278-A280 PolarHBondContact O-N 3.39Å; A280-A283 PolarHBondContact O-N 2.96Å; A280-C284 WeakPolarHBondContact O-CB 2.96Å; A280-C284 PolarHBondContact O-N 3.49Å
281N88.3Confident91.5Very high68 Ų6849.7 Ų49.736%0.36427%0.269SS..Hα-helixtrans-66.8-40.9176.3-70.6-23.2000111.7A277 F278 C284 F285A277-N281 VanDerWaalsContact O-CB 3.23Å; A277-N281 WeakPolarHBondContact O-CB 3.37Å; A277-N281 PolarHBondContact O-N 3.36Å; A277-N281 PolarHBondContact O-ND2 2.76Å; F278-N281 PolarHBondContact O-N 3.5Å; N281-C284 WeakPolarHBondContact O-CB 3.42Å; N281-C284 PolarHBondContact O-N 3.24Å; N281-F285 PolarHBondContact O-N 2.87Å
282A89.5Confident91.3Very high34 Ų3446.7 Ų46.728%0.28125%0.25SC..Hα-helixtrans-61.4-44.6175.200000111.5F278 P279 C284 F285 L286F278-A282 WeakPolarHBondContact O-CB 3.24Å; F278-A282 PolarHBondContact O-N 2.87Å; P279-A282 PolarHBondContact O-N 2.83Å; A282-C284 VanDerWaalsContact C-N 3.33Å; A282-C284 PolarHBondContact O-N 3.35Å; A282-F285 PolarHBondContact O-N 3.42Å; A282-L286 WeakPolarHBondContact O-CB 3.33Å; A282-L286 WeakPolarHBondContact O-CG 3.18Å; A282-L286 PolarHBondContact O-N 3.05Å
283A93.5Very high91.2Very high16 Ų1653.3 Ų53.313%0.13228%0.278CS..Hα-helixtrans-63.9-37.6176.300000112.6C24 I28 P279 A280 G287C24-A283 HydrophobicContact CB-CB 4.47Å; C24-A283 WeakPolarHBondContact CB-O 3.41Å; I28-A283 HydrophobicContact CB-CB 3.81Å; I28-A283 HydrophobicContact CG1-CB 3.5Å; I28-A283 HydrophobicContact CG2-CB 4.29Å; P279-A283 WeakPolarHBondContact O-CB 3.42Å; P279-A283 PolarHBondContact O-N 3.35Å; A280-A283 PolarHBondContact O-N 2.96Å; A283-G287 PolarHBondContact O-N 3.15Å
284C91.2Very high91.2Very high44 Ų4459.2 Ų59.230%0.29730%0.304SS..Hα-helixtrans-58.1-50.6174.1-168.30000111.5G21 C25 A280 N281 A282 G287 Y288G21-C284 WeakPolarHBondContact CA-O 3.31Å; G21-C284 WeakPolarHBondContact O-CA 3.34Å; C25-C284 HydrophobicContact CB-CB 3.71Å; A280-C284 WeakPolarHBondContact O-CB 2.96Å; A280-C284 PolarHBondContact O-N 3.49Å; N281-C284 WeakPolarHBondContact O-CB 3.42Å; N281-C284 PolarHBondContact O-N 3.24Å; A282-C284 VanDerWaalsContact C-N 3.33Å; A282-C284 PolarHBondContact O-N 3.35Å; C284-G287 PolarHBondContact O-N 3Å; C284-Y288 WeakPolarHBondContact O-CB 3.48Å; C284-Y288 PolarHBondContact O-N 3.05Å
285F88Confident91.2Very high59 Ų5957.3 Ų57.326%0.25930%0.295SS..Hα-helixtrans-67.4-48.7-177.6-179.7-101.9000111.9V210 L214 N281 A282 G287 Y288 E289V210-F285 HydrophobicContact CG1-CE2 3.81Å; V210-F285 HydrophobicContact CG1-CZ 3.62Å; L214-F285 HydrophobicContact CD1-CD1 4.18Å; L214-F285 HydrophobicContact CD1-CD2 3.96Å; L214-F285 HydrophobicContact CD1-CE1 4.31Å; L214-F285 HydrophobicContact CD1-CE2 4.1Å; L214-F285 HydrophobicContact CD1-CG 4.01Å; L214-F285 HydrophobicContact CD1-CZ 4.28Å; L214-F285 HydrophobicContact CD2-CB 4.11Å; L214-F285 HydrophobicContact CD2-CD2 3.81Å; L214-F285 HydrophobicContact CD2-CG 4.04Å; L214-F285 HydrophobicContact CG-CD2 4.31Å; N281-F285 PolarHBondContact O-N 2.87Å; A282-F285 PolarHBondContact O-N 3.42Å; F285-G287 VanDerWaalsContact C-N 3.29Å; F285-G287 PolarHBondContact O-N 2.98Å; F285-Y288 WeakPolarHBondContact O-CB 3.49Å; F285-Y288 PolarHBondContact O-N 2.85Å; F285-E289 HydrophobicContact CD1-CG 4.22Å; F285-E289 HydrophobicContact CD2-CG 4.42Å; F285-E289 HydrophobicContact CE1-CG 3.71Å; F285-E289 HydrophobicContact CE2-CG 3.92Å; F285-E289 HydrophobicContact CZ-CG 3.52Å; F285-E289 WeakPolarHBondContact CZ-OE1 3.37Å; F285-E289 WeakPolarHBondContact O-CG 3.43Å; F285-E289 PolarHBondContact O-N 3.44Å
286L91.3Very high91.1Very high110 Ų11056.4 Ų56.458%0.57629%0.29SS*.Hα-helixtrans-59.4-41.6176.5-71175.3000111.7A282 E289 V290A282-L286 WeakPolarHBondContact O-CB 3.33Å; A282-L286 WeakPolarHBondContact O-CG 3.18Å; A282-L286 PolarHBondContact O-N 3.05Å; L286-E289 PolarHBondContact O-N 2.68Å; L286-V290 WeakPolarHBondContact O-CB 3.33Å; L286-V290 VanDerWaalsContact O-CG2 3.24Å; L286-V290 WeakPolarHBondContact O-CG2 3.33Å; L286-V290 PolarHBondContact O-N 3.42Å
287G93.4Very high91Very high6 Ų664.2 Ų64.26%0.06232%0.321CS..Hα-helixtrans-60.1-48.9175.100000111.9F20 A283 C284 F285 E289 V290 A291F20-G287 VanDerWaalsContact CD1-O 3.32Å; F20-G287 WeakPolarHBondContact CD1-O 3.39Å; A283-G287 PolarHBondContact O-N 3.15Å; C284-G287 PolarHBondContact O-N 3Å; F285-G287 VanDerWaalsContact C-N 3.29Å; F285-G287 PolarHBondContact O-N 2.98Å; G287-E289 PolarHBondContact O-N 2.92Å; G287-V290 PolarHBondContact O-N 3.34Å; G287-A291 VanDerWaalsContact O-CB 3.3Å; G287-A291 WeakPolarHBondContact O-CB 3.39Å; G287-A291 PolarHBondContact O-N 3.47Å
288Y90.3Very high91.2Very high60 Ų6065.2 Ų65.224%0.23533%0.33CS..Hα-helixtrans-56.7-50.8176.4175.4-92.9000112.2A17 C284 F285 V290 A291 L292A17-Y288 HydrophobicContact CB-CD2 3.73Å; A17-Y288 HydrophobicContact CB-CE2 3.8Å; A17-Y288 HydrophobicContact CB-CG 4.49Å; C284-Y288 WeakPolarHBondContact O-CB 3.48Å; C284-Y288 PolarHBondContact O-N 3.05Å; F285-Y288 WeakPolarHBondContact O-CB 3.49Å; F285-Y288 PolarHBondContact O-N 2.85Å; Y288-V290 PolarHBondContact O-N 3.05Å; Y288-A291 PolarHBondContact O-N 2.86Å; Y288-L292 HydrophobicContact CE1-CD2 3.98Å; Y288-L292 VanDerWaalsContact O-CB 3.31Å; Y288-L292 WeakPolarHBondContact O-CB 3.5Å; Y288-L292 PolarHBondContact O-N 3.04Å
289E89.7Confident91.3Very high55 Ų5562.5 Ų62.526%0.25732%0.318SS..Hα-helixtrans-62.8-43.6-178.9-73.5-67.1148.100112.6F285 L286 G287 L292 K293F285-E289 HydrophobicContact CD1-CG 4.22Å; F285-E289 HydrophobicContact CD2-CG 4.42Å; F285-E289 HydrophobicContact CE1-CG 3.71Å; F285-E289 HydrophobicContact CE2-CG 3.92Å; F285-E289 HydrophobicContact CZ-CG 3.52Å; F285-E289 WeakPolarHBondContact CZ-OE1 3.37Å; F285-E289 WeakPolarHBondContact O-CG 3.43Å; F285-E289 PolarHBondContact O-N 3.44Å; L286-E289 PolarHBondContact O-N 2.68Å; G287-E289 PolarHBondContact O-N 2.92Å; E289-L292 PolarHBondContact O-N 2.78Å; E289-K293 WeakPolarHBondContact O-CB 3.36Å; E289-K293 VanDerWaalsContact O-CG 3.29Å; E289-K293 WeakPolarHBondContact O-CG 3.45Å; E289-K293 PolarHBondContact O-N 2.89Å
290V93.8Very high90.9Very high91 Ų9165.2 Ų65.255%0.55234%0.336SS*.Hα-helixtrans-65.4-44.2177.9169.40000110.7L286 G287 Y288 F294L286-V290 WeakPolarHBondContact O-CB 3.33Å; L286-V290 VanDerWaalsContact O-CG2 3.24Å; L286-V290 WeakPolarHBondContact O-CG2 3.33Å; L286-V290 PolarHBondContact O-N 3.42Å; G287-V290 PolarHBondContact O-N 3.34Å; Y288-V290 PolarHBondContact O-N 3.05Å; V290-F294 VanDerWaalsContact O-CB 3.29Å; V290-F294 WeakPolarHBondContact O-CB 3.32Å; V290-F294 PolarHBondContact O-N 3.38Å
291A93.3Very high90.4Very high12 Ų1269.1 Ų69.110%0.09938%0.375CS..Hα-helixtrans-65-42.8177.900000111.8A17 F20 G287 Y288 F294 L295A17-A291 HydrophobicContact CB-CB 3.97Å; F20-A291 HydrophobicContact CB-CB 4.01Å; F20-A291 HydrophobicContact CD1-CB 3.69Å; F20-A291 HydrophobicContact CG-CB 4.11Å; G287-A291 VanDerWaalsContact O-CB 3.3Å; G287-A291 WeakPolarHBondContact O-CB 3.39Å; G287-A291 PolarHBondContact O-N 3.47Å; Y288-A291 PolarHBondContact O-N 2.86Å; A291-F294 PolarHBondContact O-N 3.12Å; A291-L295 WeakPolarHBondContact O-CB 3.43Å; A291-L295 WeakPolarHBondContact O-CG 3.29Å; A291-L295 PolarHBondContact O-N 2.81Å
292L90.1Very high89.8Confident15 Ų1569.6 Ų69.68%0.07938%0.378CS..Hα-helixtrans-62.6-49.2178.3-176.563000111.2I9 K13 A17 Y288 E289 F294 L295 D296I9-L292 HydrophobicContact CD1-CD1 4.43Å; I9-L292 HydrophobicContact CD1-CD2 3.73Å; I9-L292 HydrophobicContact CG2-CD1 3.58Å; K13-L292 HydrophobicContact CB-CD1 4.31Å; A17-L292 HydrophobicContact CB-CB 4.14Å; Y288-L292 HydrophobicContact CE1-CD2 3.98Å; Y288-L292 VanDerWaalsContact O-CB 3.31Å; Y288-L292 WeakPolarHBondContact O-CB 3.5Å; Y288-L292 PolarHBondContact O-N 3.04Å; E289-L292 PolarHBondContact O-N 2.78Å; L292-F294 VanDerWaalsContact C-N 3.3Å; L292-F294 PolarHBondContact O-N 3.35Å; L292-L295 PolarHBondContact O-N 3.48Å; L292-L295 VanDerWaalsContact O-N 3.13Å; L292-D296 PolarHBondContact O-N 2.84Å
293K91.6Very high89.8Confident140 Ų14071.4 Ų71.461%0.60938%0.383SS*.Hα-helixtrans-59.2-40.8175.9-73.8176.5-177179.90112.5E289 Y297E289-K293 WeakPolarHBondContact O-CB 3.36Å; E289-K293 VanDerWaalsContact O-CG 3.29Å; E289-K293 WeakPolarHBondContact O-CG 3.45Å; E289-K293 PolarHBondContact O-N 2.89Å; K293-Y297 VanDerWaalsContact O-CB 3.32Å; K293-Y297 WeakPolarHBondContact O-CB 3.4Å; K293-Y297 PolarHBondContact O-N 3.28Å
294F94.1Very high89.6Confident126 Ų12674.3 Ų74.355%0.55340%0.396SS*.Hα-helixtrans-63.9-44.3175.6175.5-97.6000111.6V290 A291 L292 Y297 A298V290-F294 VanDerWaalsContact O-CB 3.29Å; V290-F294 WeakPolarHBondContact O-CB 3.32Å; V290-F294 PolarHBondContact O-N 3.38Å; A291-F294 PolarHBondContact O-N 3.12Å; L292-F294 VanDerWaalsContact C-N 3.3Å; L292-F294 PolarHBondContact O-N 3.35Å; F294-Y297 PolarHBondContact O-N 3.47Å; F294-A298 HydrophobicContact CE1-CB 4.23Å; F294-A298 HydrophobicContact CE2-CB 4.38Å; F294-A298 HydrophobicContact CZ-CB 4.11Å; F294-A298 WeakPolarHBondContact O-CB 3.46Å; F294-A298 PolarHBondContact O-N 3.03Å
295L92Very high89.5Confident16 Ų1676 Ų768%0.08440%0.401CS..Hα-helixtrans-67.3-36.3178.3-70.5170000112.3K13 L16 A17 A291 L292 Y297 F299K13-L295 HydrophobicContact CB-CD1 4.34Å; K13-L295 HydrophobicContact CD-CB 4.47Å; K13-L295 HydrophobicContact CG-CB 4.24Å; L16-L295 HydrophobicContact CB-CD1 3.82Å; L16-L295 HydrophobicContact CD1-CD1 4.43Å; L16-L295 HydrophobicContact CD1-CD2 4.28Å; A17-L295 HydrophobicContact CB-CD1 4.42Å; A291-L295 WeakPolarHBondContact O-CB 3.43Å; A291-L295 WeakPolarHBondContact O-CG 3.29Å; A291-L295 PolarHBondContact O-N 2.81Å; L292-L295 PolarHBondContact O-N 3.48Å; L292-L295 VanDerWaalsContact O-N 3.13Å; L295-Y297 VanDerWaalsContact C-N 3.35Å; L295-F299 HydrophobicContact CD2-CD2 3.87Å; L295-F299 HydrophobicContact CD2-CE2 4.34Å; L295-F299 CarbonylContact O-C 3.12Å; L295-F299 VanDerWaalsContact O-CA 3.23Å; L295-F299 WeakPolarHBondContact O-CA 3.32Å; L295-F299 WeakPolarHBondContact O-CB 3.5Å; L295-F299 PolarHBondContact O-N 3.33Å; L295-F299 VanDerWaalsContact O-O 3.14Å
296D90.6Very high89.6Confident59 Ų5977 Ų7732%0.31641%0.41SS..Hα-helixtrans-68.3-36.7174.7-73.1-28.2000112.1K13 L292 P300K13-D296 WeakPolarHBondContact CD-OD1 3.39Å; K13-D296 IonicContact NZ-OD1 2.77Å; K13-D296 PolarHBondContact NZ-OD1 3.37Å; L292-D296 PolarHBondContact O-N 2.84Å; D296-P300 WeakPolarHBondContact O-CA 3.42Å
297Y91.3Very high89.5Confident204 Ų20474.9 Ų74.980%0.840%0.399SS*.Hα-helixtrans-72.3-48.5175.6177.8-101.8000112.6K293 F294 L295K293-Y297 VanDerWaalsContact O-CB 3.32Å; K293-Y297 WeakPolarHBondContact O-CB 3.4Å; K293-Y297 PolarHBondContact O-N 3.28Å; F294-Y297 PolarHBondContact O-N 3.47Å; L295-Y297 VanDerWaalsContact C-N 3.35Å
298A91.6Very high89.3Confident42 Ų4279.5 Ų79.535%0.34742%0.422SS..Hα-helixtrans-82.8-31.4-173.800000113.2F294F294-A298 HydrophobicContact CE1-CB 4.23Å; F294-A298 HydrophobicContact CE2-CB 4.38Å; F294-A298 HydrophobicContact CZ-CB 4.11Å; F294-A298 WeakPolarHBondContact O-CB 3.46Å; F294-A298 PolarHBondContact O-N 3.03Å
299F90.5Very high89.2Confident112 Ų11280.9 Ų80.949%0.49144%0.435SS..  trans-136.563.5-175.5-52.8-77.5000111.1K13 L295 G301 L302K13-F299 WeakPolarHBondContact CE-O 3.45Å; K13-F299 PolarHBondContact NZ-O 3.19Å; K13-F299 VanDerWaalsContact NZ-O 3.11Å; L295-F299 HydrophobicContact CD2-CD2 3.87Å; L295-F299 HydrophobicContact CD2-CE2 4.34Å; L295-F299 CarbonylContact O-C 3.12Å; L295-F299 VanDerWaalsContact O-CA 3.23Å; L295-F299 WeakPolarHBondContact O-CA 3.32Å; L295-F299 WeakPolarHBondContact O-CB 3.5Å; L295-F299 PolarHBondContact O-N 3.33Å; L295-F299 VanDerWaalsContact O-O 3.14Å; F299-G301 PolarHBondContact O-N 2.72Å; F299-G301 VanDerWaalsContact O-N 3.09Å; F299-L302 HydrophobicContact CB-CB 3.9Å; F299-L302 HydrophobicContact CB-CD2 4.47Å; F299-L302 PolarHBondContact O-N 3.13Å; F299-L302 VanDerWaalsContact O-N 3.16Å
300P82.6Confident89.2Confident101 Ų10182.9 Ų82.966%0.65645%0.449SS*.THydrogen-bonded Turntrans-57.3-30.9-17621-32.6000113.3K13 D296K13-P300 PolarHBondContact NZ-O 3.01Å; K13-P300 VanDerWaalsContact NZ-O 3.15Å; D296-P300 WeakPolarHBondContact O-CA 3.42Å
301G82.5Confident88.8Confident81 Ų8182.3 Ų82.384%0.83544%0.44SS*.THydrogen-bonded Turntrans-936.7-178.800000117F299F299-G301 PolarHBondContact O-N 2.72Å; F299-G301 VanDerWaalsContact O-N 3.09Å
302L75.1Confident88.4Confident79 Ų7988.6 Ų88.641%0.41447%0.471SS..  trans-76.60175.6-174.274.7000112.1S10 I12 K13 L16 F299S10-L302 VanDerWaalsContact CB-C 3.45Å; S10-L302 WeakPolarHBondContact CB-O 3.18Å; S10-L302 WeakPolarHBondContact CB-OXT 3.27Å; S10-L302 PolarHBondContact OG-O 2.84Å; S10-L302 PolarHBondContact OG-OXT 3.12Å; I12-L302 HydrophobicContact CB-CG 4.32Å; I12-L302 HydrophobicContact CD1-CD1 4.42Å; I12-L302 HydrophobicContact CG2-CD1 4.21Å; I12-L302 HydrophobicContact CG2-CD2 3.9Å; I12-L302 HydrophobicContact CG2-CG 4.09Å; K13-L302 WeakPolarHBondContact CE-O 3.32Å; K13-L302 HydrophobicContact CG-CB 4.27Å; K13-L302 HydrophobicContact CG-CD2 3.98Å; K13-L302 HydrophobicContact CG-CG 4.29Å; L16-L302 HydrophobicContact CD1-CD2 4.28Å; F299-L302 HydrophobicContact CB-CB 3.9Å; F299-L302 HydrophobicContact CB-CD2 4.47Å; F299-L302 PolarHBondContact O-N 3.13Å; F299-L302 VanDerWaalsContact O-N 3.16Å

Retrieved 302 of 302 residues in 83.3 ms (Link to these results)