A0A5K4FER3_SCHMA Loading...

VHS-domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FER3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 711 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M49.9Very low80.9Confident186 Ų18676.2 Ų76.292%0.91637%0.373SS*.  0111.60-161.7176.6-75.100106E5M1-E5 WeakPolarHBondContact CA-OE2 3.47Å; M1-E5 HydrophobicContact CG-CB 4.43Å; M1-E5 HydrophobicContact CG-CG 4.15Å; M1-E5 VanDerWaalsContact CG-OE2 3.3Å; M1-E5 WeakPolarHBondContact CG-OE2 3.48Å
2N77.9Confident80.9Confident99 Ų9969.9 Ų69.953%0.52934%0.343SS..  trans-71.5152-171.6-70.4-20.2000110.2L4 E5 K6N2-L4 VanDerWaalsContact C-N 3.25Å; N2-L4 PolarHBondContact O-N 3Å; N2-E5 HydrophobicContact CB-CB 4.14Å; N2-E5 PolarHBondContact N-OE2 2.75Å; N2-E5 WeakPolarHBondContact O-CA 3.48Å; N2-E5 VanDerWaalsContact O-CB 3.25Å; N2-E5 WeakPolarHBondContact O-CB 3.42Å; N2-E5 PolarHBondContact O-N 3.32Å; N2-K6 PolarHBondContact O-N 2.77Å
3E85.2Confident81Confident128 Ų12869.5 Ų69.560%0.59834%0.343SS*.Hα-helixtrans-54.6-44.9176.8-177.6167.1-139.700111.7E5 K6 L7 L30E3-E5 VanDerWaalsContact C-N 3.33Å; E3-E5 PolarHBondContact O-N 3.37Å; E3-K6 WeakPolarHBondContact O-CB 3.45Å; E3-K6 PolarHBondContact O-N 2.99Å; E3-L7 HydrophobicContact CG-CD1 4.33Å; E3-L7 WeakPolarHBondContact O-CG 3.25Å; E3-L7 PolarHBondContact O-N 3.47Å; E3-L30 HydrophobicContact CG-CD1 4.11Å
4L84.9Confident80.5Confident11 Ų1167.7 Ų67.76%0.05834%0.339CS..Hα-helixtrans-55.4-40.9170.8179.858.9000113.4N2 L8 I27 L30 I31 F40N2-L4 VanDerWaalsContact C-N 3.25Å; N2-L4 PolarHBondContact O-N 3Å; L4-L8 HydrophobicContact CD1-CD1 3.84Å; L4-L8 HydrophobicContact CD1-CG 4.09Å; L4-L8 HydrophobicContact CG-CD1 3.88Å; L4-L8 VanDerWaalsContact O-CB 3.27Å; L4-L8 WeakPolarHBondContact O-CB 3.43Å; L4-L8 WeakPolarHBondContact O-CD1 3.36Å; L4-L8 WeakPolarHBondContact O-CG 3.25Å; L4-L8 PolarHBondContact O-N 3.22Å; L4-I27 HydrophobicContact CD1-CG2 4.03Å; L4-L30 HydrophobicContact CD1-CB 4.39Å; L4-I31 HydrophobicContact CD1-CD1 4.48Å; L4-I31 HydrophobicContact CD1-CG1 3.89Å; L4-I31 HydrophobicContact CD2-CG1 4.38Å; L4-F40 HydrophobicContact CD2-CD1 3.9Å; L4-F40 HydrophobicContact CD2-CE1 4.46Å; L4-F40 HydrophobicContact CG-CD1 4.32Å; L4-F40 HydrophobicContact CG-CE1 4.44Å
5E85.9Confident80Confident58 Ų5872.7 Ų72.727%0.27137%0.365SS..Hα-helixtrans-67.6-38.9178.3-172.5-175.5-172.800111.6M1 N2 E3 S9 F40 L44M1-E5 WeakPolarHBondContact CA-OE2 3.47Å; M1-E5 HydrophobicContact CG-CB 4.43Å; M1-E5 HydrophobicContact CG-CG 4.15Å; M1-E5 VanDerWaalsContact CG-OE2 3.3Å; M1-E5 WeakPolarHBondContact CG-OE2 3.48Å; N2-E5 HydrophobicContact CB-CB 4.14Å; N2-E5 PolarHBondContact N-OE2 2.75Å; N2-E5 WeakPolarHBondContact O-CA 3.48Å; N2-E5 VanDerWaalsContact O-CB 3.25Å; N2-E5 WeakPolarHBondContact O-CB 3.42Å; N2-E5 PolarHBondContact O-N 3.32Å; E3-E5 VanDerWaalsContact C-N 3.33Å; E3-E5 PolarHBondContact O-N 3.37Å; E5-S9 VanDerWaalsContact O-CB 3.25Å; E5-S9 WeakPolarHBondContact O-CB 3.37Å; E5-S9 PolarHBondContact O-N 3.4Å; E5-S9 PolarHBondContact O-OG 2.68Å; E5-F40 HydrophobicContact CB-CE1 4.05Å; E5-F40 HydrophobicContact CB-CZ 3.95Å; E5-F40 HydrophobicContact CG-CZ 4.13Å; E5-L44 HydrophobicContact CG-CD2 4.37Å
6K85.2Confident79.2Confident150 Ų15071.3 Ų71.365%0.65236%0.364SS*.Hα-helixtrans-67-44.7176.4-174-176.2177.7-172.40111.4N2 E3 S9 K10N2-K6 PolarHBondContact O-N 2.77Å; E3-K6 WeakPolarHBondContact O-CB 3.45Å; E3-K6 PolarHBondContact O-N 2.99Å; K6-S9 PolarHBondContact O-N 3.5Å; K6-K10 WeakPolarHBondContact O-CB 3.49Å; K6-K10 PolarHBondContact O-N 3.29Å
7L84Confident78.1Confident21 Ų2173.5 Ų73.511%0.1138%0.377CS..Hα-helixtrans-68.3-43.2178-67.7171.5000112.1E3 S9 K10 A11 T23 E26 I27 L30E3-L7 HydrophobicContact CG-CD1 4.33Å; E3-L7 WeakPolarHBondContact O-CG 3.25Å; E3-L7 PolarHBondContact O-N 3.47Å; L7-S9 VanDerWaalsContact C-N 3.34Å; L7-S9 PolarHBondContact O-N 2.95Å; L7-K10 WeakPolarHBondContact O-CB 3.39Å; L7-K10 PolarHBondContact O-N 2.84Å; L7-A11 WeakPolarHBondContact O-CB 3.28Å; L7-A11 PolarHBondContact O-N 3.41Å; L7-T23 HydrophobicContact CD2-CG2 4.34Å; L7-E26 HydrophobicContact CD1-CG 3.86Å; L7-I27 HydrophobicContact CB-CD1 4.03Å; L7-I27 HydrophobicContact CB-CG1 3.66Å; L7-I27 HydrophobicContact CD1-CG1 4.35Å; L7-L30 HydrophobicContact CD1-CD1 3.49Å; L7-L30 VanDerWaalsContact CD1-CD1 3.49Å
8L86.6Confident76.9Confident1 Ų175.9 Ų75.91%0.00539%0.386CS..Hα-helixtrans-60.6-41.9173.1-71.9169.2000111.6L4 K10 A11 T12 I27 T41 L44 L63L4-L8 HydrophobicContact CD1-CD1 3.84Å; L4-L8 HydrophobicContact CD1-CG 4.09Å; L4-L8 HydrophobicContact CG-CD1 3.88Å; L4-L8 VanDerWaalsContact O-CB 3.27Å; L4-L8 WeakPolarHBondContact O-CB 3.43Å; L4-L8 WeakPolarHBondContact O-CD1 3.36Å; L4-L8 WeakPolarHBondContact O-CG 3.25Å; L4-L8 PolarHBondContact O-N 3.22Å; L8-K10 VanDerWaalsContact C-N 3.35Å; L8-K10 PolarHBondContact O-N 3.06Å; L8-A11 PolarHBondContact O-N 3.2Å; L8-T12 WeakPolarHBondContact O-CB 3.37Å; L8-T12 WeakPolarHBondContact O-CG2 3.39Å; L8-T12 PolarHBondContact O-N 3.2Å; L8-T12 PolarHBondContact O-OG1 3.37Å; L8-I27 HydrophobicContact CD2-CD1 4.38Å; L8-I27 HydrophobicContact CD2-CG2 3.83Å; L8-I27 HydrophobicContact CG-CG2 4.43Å; L8-T41 HydrophobicContact CD1-CG2 3.95Å; L8-T41 HydrophobicContact CD2-CG2 4.06Å; L8-L44 HydrophobicContact CB-CD2 3.82Å; L8-L44 HydrophobicContact CD1-CD2 3.81Å; L8-L44 HydrophobicContact CG-CD2 4.47Å; L8-L63 HydrophobicContact CD2-CD2 3.92Å
9S85.2Confident76.4Confident47 Ų4774.7 Ų74.733%0.32938%0.377SS..Hα-helixtrans-67.5-33.4176.7-58.90000112.8E5 K6 L7 N13E5-S9 VanDerWaalsContact O-CB 3.25Å; E5-S9 WeakPolarHBondContact O-CB 3.37Å; E5-S9 PolarHBondContact O-N 3.4Å; E5-S9 PolarHBondContact O-OG 2.68Å; K6-S9 PolarHBondContact O-N 3.5Å; L7-S9 VanDerWaalsContact C-N 3.34Å; L7-S9 PolarHBondContact O-N 2.95Å; S9-N13 PolarHBondContact O-N 2.9Å
10K83.8Confident76Confident126 Ų12675.8 Ų75.855%0.54838%0.384SS..Hα-helixtrans-66.1-45.2172.5-174.2-169.9175.6-1610111.1K6 L7 L8 T12 N13K6-K10 WeakPolarHBondContact O-CB 3.49Å; K6-K10 PolarHBondContact O-N 3.29Å; L7-K10 WeakPolarHBondContact O-CB 3.39Å; L7-K10 PolarHBondContact O-N 2.84Å; L8-K10 VanDerWaalsContact C-N 3.35Å; L8-K10 PolarHBondContact O-N 3.06Å; K10-T12 VanDerWaalsContact C-N 3.34Å; K10-T12 PolarHBondContact O-N 3.08Å; K10-N13 PolarHBondContact O-N 2.64Å
11A81.2Confident76Confident11 Ų1175.1 Ų75.19%0.09139%0.387CS..Hα-helixtrans-73.6-21.4-178.700000114.2L7 L8 I27 L63L7-A11 WeakPolarHBondContact O-CB 3.28Å; L7-A11 PolarHBondContact O-N 3.41Å; L8-A11 PolarHBondContact O-N 3.2Å; A11-I27 HydrophobicContact CB-CD1 4.13Å; A11-L63 HydrophobicContact CB-CD2 3.77Å
12T80.8Confident77.6Confident1 Ų171.4 Ų71.41%0.00637%0.37CS..THydrogen-bonded Turntrans-100.410.8177.1560000113.6L8 K10 L45 K48 S60 L63L8-T12 WeakPolarHBondContact O-CB 3.37Å; L8-T12 WeakPolarHBondContact O-CG2 3.39Å; L8-T12 PolarHBondContact O-N 3.2Å; L8-T12 PolarHBondContact O-OG1 3.37Å; K10-T12 VanDerWaalsContact C-N 3.34Å; K10-T12 PolarHBondContact O-N 3.08Å; T12-L45 HydrophobicContact CG2-CD2 4.24Å; T12-K48 HydrophobicContact CG2-CG 4.48Å; T12-K48 WeakPolarHBondContact OG1-CE 3.47Å; T12-S60 VanDerWaalsContact CG2-OG 3.25Å; T12-S60 WeakPolarHBondContact CG2-OG 3.29Å; T12-L63 HydrophobicContact CG2-CD2 4.11Å
13N81.9Confident77.8Confident64 Ų6467.3 Ų67.334%0.34235%0.349SS..  trans-73.1124.5-178.3-173.5-15.8000111S9 K10 I15 S16S9-N13 PolarHBondContact O-N 2.9Å; K10-N13 PolarHBondContact O-N 2.64Å; N13-I15 PolarHBondContact O-N 3.13Å; N13-I15 VanDerWaalsContact O-N 3.09Å; N13-I15 WeakPolarHBondContact OD1-CB 3.45Å; N13-I15 PolarHBondContact OD1-N 3.31Å; N13-S16 PolarHBondContact O-N 3.48Å; N13-S16 PolarHBondContact O-OG 2.98Å
14P74.5Confident77.7Confident45 Ų4561.4 Ų61.429%0.29232%0.321SS..THydrogen-bonded Turntrans-65.5-10.6179.426.6-35.8000114.9K55 E56P14-K55 HydrophobicContact CB-CB 3.99Å; P14-K55 WeakPolarHBondContact O-CD 3.44Å; P14-E56 HydrophobicContact CB-CB 4.48Å
15I73.5Confident77.7Confident143 Ų14362.8 Ų62.873%0.73333%0.329SS*.THydrogen-bonded Turntrans-91.5-18-177.7-55172.6000112.4N13N13-I15 PolarHBondContact O-N 3.13Å; N13-I15 VanDerWaalsContact O-N 3.09Å; N13-I15 WeakPolarHBondContact OD1-CB 3.45Å; N13-I15 PolarHBondContact OD1-N 3.31Å
16S67.1Low77.7Confident50 Ų5064.2 Ų64.235%0.3534%0.336SS..  trans-97.8112-178.254.20000112.4N13 Q18N13-S16 PolarHBondContact O-N 3.48Å; N13-S16 PolarHBondContact O-OG 2.98Å; S16-Q18 VanDerWaalsContact C-N 3.28Å; S16-Q18 PolarHBondContact O-N 3.39Å
17D60.4Low77.8Confident109 Ų10957 Ų5758%0.58330%0.304SS*.SBendtrans-79.83.9-176.4-69.7-42000115.3K55D17-K55 IonicContact OD1-NZ 2.73Å; D17-K55 PolarHBondContact OD1-NZ 3.03Å
18Q55.9Low77.9Confident116 Ų11656.4 Ų56.454%0.54230%0.302SS..  trans-150.8135.4169-99.5119.49000111.6S16S16-Q18 VanDerWaalsContact C-N 3.28Å; S16-Q18 PolarHBondContact O-N 3.39Å
19Y67Low77.9Confident53 Ų5363.3 Ų63.321%0.20833%0.332CS..  trans-86.4135.3159.949.7-92.1000109V24 V62 F66 C155Y19-V24 HydrophobicContact CD2-CG2 3.76Å; Y19-V24 HydrophobicContact CE2-CG2 4.5Å; Y19-V24 HydrophobicContact CG-CG2 4.32Å; Y19-V62 HydrophobicContact CE1-CG1 3.8Å; Y19-F66 HydrophobicContact CE2-CD2 4.34Å; Y19-F66 AromaticContact CE2-CE2 3.94Å; Y19-F66 HydrophobicContact CE2-CE2 3.94Å; Y19-F66 HydrophobicContact CE2-CZ 4.36Å; Y19-F66 AromaticContact CZ-CE2 3.65Å; Y19-F66 WeakPolarHBondContact OH-CE2 3.3Å; Y19-C155 PolarHBondContact OH-SG 3.09Å; Y19-C155 VanDerWaalsContact OH-SG 3.34Å
20D68.8Low78Confident96 Ų9662.5 Ų62.551%0.51332%0.324SS..  trans-72.5134.7169.6-168.3-4.6000109.4D22 T23 V24D20-D22 PolarHBondContact O-N 3.46Å; D20-D22 PolarHBondContact OD1-N 2.92Å; D20-T23 WeakPolarHBondContact O-CB 3.12Å; D20-T23 PolarHBondContact O-N 3.46Å; D20-V24 PolarHBondContact O-N 3.23Å
21S77.1Confident78.2Confident63 Ų6356.6 Ų56.644%0.44130%0.298SS..Hα-helixtrans-54.4-36.5178.9-176.40000111V24 N25S21-V24 PolarHBondContact O-N 2.86Å; S21-N25 PolarHBondContact O-N 3.04Å; S21-N25 PolarHBondContact O-ND2 2.8Å
22D82Confident78.4Confident108 Ų10859.7 Ų59.758%0.57831%0.313SS*.Hα-helixtrans-68.7-34.8179.8-70.8-16.9000112.9D20 V24 N25 E26D20-D22 PolarHBondContact O-N 3.46Å; D20-D22 PolarHBondContact OD1-N 2.92Å; D22-V24 VanDerWaalsContact C-N 3.31Å; D22-V24 PolarHBondContact O-N 3.48Å; D22-N25 PolarHBondContact O-N 3.19Å; D22-E26 WeakPolarHBondContact O-CB 3.39Å; D22-E26 PolarHBondContact O-N 3.09Å
23T83.1Confident78.6Confident12 Ų1264.6 Ų64.67%0.07434%0.343CS..Hα-helixtrans-63.4-38.6173.5-61.90000110.9L7 D20 E26 I27L7-T23 HydrophobicContact CD2-CG2 4.34Å; D20-T23 WeakPolarHBondContact O-CB 3.12Å; D20-T23 PolarHBondContact O-N 3.46Å; T23-E26 PolarHBondContact O-N 2.75Å; T23-I27 HydrophobicContact CG2-CD1 4.02Å; T23-I27 WeakPolarHBondContact O-CD1 3.13Å; T23-I27 VanDerWaalsContact O-CG1 3.23Å; T23-I27 WeakPolarHBondContact O-CG1 3.41Å; T23-I27 PolarHBondContact O-N 2.94Å
24V83.5Confident78.7Confident4 Ų466.5 Ų66.52%0.02435%0.35CS..Hα-helixtrans-69.1-38.7177.3-177.80000111.3Y19 D20 S21 D22 I27 S28 L63 F66Y19-V24 HydrophobicContact CD2-CG2 3.76Å; Y19-V24 HydrophobicContact CE2-CG2 4.5Å; Y19-V24 HydrophobicContact CG-CG2 4.32Å; D20-V24 PolarHBondContact O-N 3.23Å; S21-V24 PolarHBondContact O-N 2.86Å; D22-V24 VanDerWaalsContact C-N 3.31Å; D22-V24 PolarHBondContact O-N 3.48Å; V24-I27 PolarHBondContact O-N 3.06Å; V24-S28 PolarHBondContact O-N 2.85Å; V24-L63 HydrophobicContact CG1-CD1 4.18Å; V24-L63 HydrophobicContact CG2-CD1 4.12Å; V24-F66 HydrophobicContact CG1-CB 3.79Å; V24-F66 HydrophobicContact CG1-CG 4.47Å
25N84.9Confident78.8Confident40 Ų4070.1 Ų70.121%0.21437%0.374CS..Hα-helixtrans-65.4-39.5174.9-68.7-41000112.5S21 D22 S28 K29 R70S21-N25 PolarHBondContact O-N 3.04Å; S21-N25 PolarHBondContact O-ND2 2.8Å; D22-N25 PolarHBondContact O-N 3.19Å; N25-S28 PolarHBondContact O-N 2.92Å; N25-K29 WeakPolarHBondContact O-CG 3.45Å; N25-K29 PolarHBondContact O-N 3.19Å; N25-K29 VanDerWaalsContact O-N 3.09Å; N25-R70 PolarHBondContact OD1-NH1 2.8Å
26E85.5Confident79.4Confident88 Ų8869.2 Ų69.241%0.41137%0.37SS..Hα-helixtrans-64.2-46.7175.1-174.4174.8-139.400111.6L7 D22 T23 S28 K29 L30L7-E26 HydrophobicContact CD1-CG 3.86Å; D22-E26 WeakPolarHBondContact O-CB 3.39Å; D22-E26 PolarHBondContact O-N 3.09Å; T23-E26 PolarHBondContact O-N 2.75Å; E26-S28 VanDerWaalsContact C-N 3.33Å; E26-S28 PolarHBondContact O-N 2.99Å; E26-K29 PolarHBondContact O-N 2.94Å; E26-L30 HydrophobicContact CG-CD1 4.18Å; E26-L30 WeakPolarHBondContact O-CG 3.34Å; E26-L30 PolarHBondContact O-N 3.12Å
27I87.2Confident80.3Confident0 Ų066.9 Ų66.90%035%0.354CS..Hα-helixtrans-56.6-46.3173.9-69.1164.2000110.8L4 L7 L8 A11 T23 V24 K29 L30 I31 L67L4-I27 HydrophobicContact CD1-CG2 4.03Å; L7-I27 HydrophobicContact CB-CD1 4.03Å; L7-I27 HydrophobicContact CB-CG1 3.66Å; L7-I27 HydrophobicContact CD1-CG1 4.35Å; L8-I27 HydrophobicContact CD2-CD1 4.38Å; L8-I27 HydrophobicContact CD2-CG2 3.83Å; L8-I27 HydrophobicContact CG-CG2 4.43Å; A11-I27 HydrophobicContact CB-CD1 4.13Å; T23-I27 HydrophobicContact CG2-CD1 4.02Å; T23-I27 WeakPolarHBondContact O-CD1 3.13Å; T23-I27 VanDerWaalsContact O-CG1 3.23Å; T23-I27 WeakPolarHBondContact O-CG1 3.41Å; T23-I27 PolarHBondContact O-N 2.94Å; V24-I27 PolarHBondContact O-N 3.06Å; I27-K29 PolarHBondContact O-N 3.47Å; I27-L30 PolarHBondContact O-N 3.27Å; I27-I31 HydrophobicContact CG2-CD1 3.68Å; I27-I31 HydrophobicContact CG2-CG1 4.41Å; I27-I31 WeakPolarHBondContact O-CD1 3.26Å; I27-I31 VanDerWaalsContact O-CG1 3.25Å; I27-I31 WeakPolarHBondContact O-CG1 3.13Å; I27-I31 PolarHBondContact O-N 3.12Å; I27-L67 HydrophobicContact CG2-CD1 4.29Å; I27-L67 HydrophobicContact CG2-CD2 3.86Å
28S86.4Confident81.7Confident8 Ų862.2 Ų62.26%0.05633%0.33CS..Hα-helixtrans-59.3-47.1178.3-165.90000112.1V24 N25 E26 L30 I31 D32 R70 C71V24-S28 PolarHBondContact O-N 2.85Å; N25-S28 PolarHBondContact O-N 2.92Å; E26-S28 VanDerWaalsContact C-N 3.33Å; E26-S28 PolarHBondContact O-N 2.99Å; S28-L30 VanDerWaalsContact C-N 3.34Å; S28-L30 PolarHBondContact O-N 3.2Å; S28-I31 WeakPolarHBondContact O-CB 3.12Å; S28-I31 PolarHBondContact O-N 3.29Å; S28-D32 PolarHBondContact O-N 3.38Å; S28-D32 VanDerWaalsContact O-N 3.1Å; S28-R70 PolarHBondContact OG-O 3.18Å; S28-C71 PolarHBondContact OG-SG 3.14Å
29K86.7Confident83.3Confident146 Ų14658.9 Ų58.964%0.63532%0.317SS*.Hα-helixtrans-61.5-40.8177.8-71.3170.9-178.51760112.3N25 E26 I27 D32 T33N25-K29 WeakPolarHBondContact O-CG 3.45Å; N25-K29 PolarHBondContact O-N 3.19Å; N25-K29 VanDerWaalsContact O-N 3.09Å; E26-K29 PolarHBondContact O-N 2.94Å; I27-K29 PolarHBondContact O-N 3.47Å; K29-D32 PolarHBondContact O-N 3.12Å; K29-T33 WeakPolarHBondContact O-CB 3.36Å; K29-T33 PolarHBondContact O-N 3.26Å; K29-T33 PolarHBondContact O-OG1 3.45Å
30L87.5Confident84.5Confident30 Ų3059 Ų5916%0.15732%0.319CS..Hα-helixtrans-67.4-35177.4-73.7168.7000112.5E3 L4 L7 E26 I27 S28 T33 Q34E3-L30 HydrophobicContact CG-CD1 4.11Å; L4-L30 HydrophobicContact CD1-CB 4.39Å; L7-L30 HydrophobicContact CD1-CD1 3.49Å; L7-L30 VanDerWaalsContact CD1-CD1 3.49Å; E26-L30 HydrophobicContact CG-CD1 4.18Å; E26-L30 WeakPolarHBondContact O-CG 3.34Å; E26-L30 PolarHBondContact O-N 3.12Å; I27-L30 PolarHBondContact O-N 3.27Å; S28-L30 VanDerWaalsContact C-N 3.34Å; S28-L30 PolarHBondContact O-N 3.2Å; L30-T33 PolarHBondContact O-N 3.05Å; L30-Q34 WeakPolarHBondContact O-CB 3.5Å; L30-Q34 VanDerWaalsContact O-CG 3.28Å; L30-Q34 WeakPolarHBondContact O-CG 3.47Å; L30-Q34 PolarHBondContact O-N 3.43Å; L30-Q34 VanDerWaalsContact O-N 3.15Å
31I88.4Confident85.5Confident1 Ų154.5 Ų54.51%0.00530%0.295CS..Hα-helixtrans-63.6-48.2174.6-72163.9000110.8L4 I27 S28 T33 P38 T41 L67 F75L4-I31 HydrophobicContact CD1-CD1 4.48Å; L4-I31 HydrophobicContact CD1-CG1 3.89Å; L4-I31 HydrophobicContact CD2-CG1 4.38Å; I27-I31 HydrophobicContact CG2-CD1 3.68Å; I27-I31 HydrophobicContact CG2-CG1 4.41Å; I27-I31 WeakPolarHBondContact O-CD1 3.26Å; I27-I31 VanDerWaalsContact O-CG1 3.25Å; I27-I31 WeakPolarHBondContact O-CG1 3.13Å; I27-I31 PolarHBondContact O-N 3.12Å; S28-I31 WeakPolarHBondContact O-CB 3.12Å; S28-I31 PolarHBondContact O-N 3.29Å; I31-T33 VanDerWaalsContact C-N 3.29Å; I31-T33 PolarHBondContact O-N 3.44Å; I31-P38 HydrophobicContact CG2-CB 4.49Å; I31-P38 HydrophobicContact CG2-CG 3.89Å; I31-T41 HydrophobicContact CD1-CG2 3.81Å; I31-T41 HydrophobicContact CG1-CG2 4.46Å; I31-T41 WeakPolarHBondContact CG1-OG1 3.25Å; I31-L67 HydrophobicContact CD1-CD1 3.92Å; I31-L67 HydrophobicContact CD1-CD2 3.89Å; I31-L67 HydrophobicContact CD1-CG 4.47Å; I31-F75 HydrophobicContact CD1-CE2 4.44Å; I31-F75 HydrophobicContact CG2-CD2 3.81Å; I31-F75 HydrophobicContact CG2-CE2 4.45Å
32D84.3Confident86.3Confident77 Ų7751.9 Ų51.941%0.41228%0.276SS..Hα-helixtrans-71-24.8-179.3-65.6-40.9000112.6S28 K29 G72S28-D32 PolarHBondContact O-N 3.38Å; S28-D32 VanDerWaalsContact O-N 3.1Å; K29-D32 PolarHBondContact O-N 3.12Å; D32-G72 PolarHBondContact OD1-N 2.76Å
33T85.1Confident86.8Confident104 Ų10454.1 Ų54.164%0.63828%0.276SS*.Hα-helixtrans-79.1-31.9177.7-57.10000113.2K29 L30 I31K29-T33 WeakPolarHBondContact O-CB 3.36Å; K29-T33 PolarHBondContact O-N 3.26Å; K29-T33 PolarHBondContact O-OG1 3.45Å; L30-T33 PolarHBondContact O-N 3.05Å; I31-T33 VanDerWaalsContact C-N 3.29Å; I31-T33 PolarHBondContact O-N 3.44Å
34Q83.5Confident87.2Confident104 Ų10455.3 Ų55.349%0.48628%0.282SS..SBendtrans-93125.7-174.2-69.4-69.4-25.600111.1L30 N36 G37L30-Q34 WeakPolarHBondContact O-CB 3.5Å; L30-Q34 VanDerWaalsContact O-CG 3.28Å; L30-Q34 WeakPolarHBondContact O-CG 3.47Å; L30-Q34 PolarHBondContact O-N 3.43Å; L30-Q34 VanDerWaalsContact O-N 3.15Å; Q34-N36 PolarHBondContact O-N 3.4Å; Q34-N36 VanDerWaalsContact O-N 3.12Å; Q34-G37 WeakPolarHBondContact O-CA 3.37Å; Q34-G37 PolarHBondContact O-N 3.13Å
35P77Confident87.6Confident121 Ų12155.1 Ų55.179%0.78628%0.281SS*.THydrogen-bonded Turntrans-63.8-26.7-174.925-34.8000113.6
36N85.7Confident88Confident123 Ų12353.6 Ų53.666%0.65827%0.274SS*.THydrogen-bonded Turntrans-103.87.4173.4-70.9-41.7000113Q34 V39 F40Q34-N36 PolarHBondContact O-N 3.4Å; Q34-N36 VanDerWaalsContact O-N 3.12Å; N36-V39 PolarHBondContact O-N 3.19Å; N36-F40 WeakPolarHBondContact O-CB 3.4Å; N36-F40 PolarHBondContact O-N 3.35Å
37G86.8Confident88.4Confident2 Ų256.1 Ų56.12%0.02129%0.285CS..Hα-helixtrans-53.8-54.6-175.600000113.3Q34 V39 F40 T41Q34-G37 WeakPolarHBondContact O-CA 3.37Å; Q34-G37 PolarHBondContact O-N 3.13Å; G37-V39 PolarHBondContact O-N 3.4Å; G37-F40 PolarHBondContact O-N 3.27Å; G37-T41 WeakPolarHBondContact O-CB 3.46Å; G37-T41 PolarHBondContact O-N 3.1Å; G37-T41 PolarHBondContact O-OG1 3.38Å; G37-T41 VanDerWaalsContact O-OG1 3.07Å
38P89Confident88.6Confident10 Ų1058 Ų587%0.06529%0.293CS..Hα-helixtrans-57.9-48.6179.6-28.536.6000113.7I31 F40 T41 L42 F75 E78I31-P38 HydrophobicContact CG2-CB 4.49Å; I31-P38 HydrophobicContact CG2-CG 3.89Å; P38-F40 VanDerWaalsContact C-N 3.31Å; P38-F40 PolarHBondContact O-N 3.12Å; P38-T41 PolarHBondContact O-N 3Å; P38-L42 WeakPolarHBondContact O-CB 3.15Å; P38-L42 VanDerWaalsContact O-CG 3.28Å; P38-L42 WeakPolarHBondContact O-CG 3.39Å; P38-L42 PolarHBondContact O-N 3.42Å; P38-F75 HydrophobicContact CB-CB 4.41Å; P38-F75 HydrophobicContact CB-CD2 3.91Å; P38-F75 HydrophobicContact CG-CB 4.47Å; P38-F75 HydrophobicContact CG-CD2 4.45Å; P38-E78 HydrophobicContact CB-CB 4.38Å; P38-E78 HydrophobicContact CB-CG 4.17Å
39V90.7Very high88.9Confident47 Ų4757.7 Ų57.729%0.28529%0.291SS..Hα-helixtrans-66.3-34-177.6179.70000111.9N36 G37 R43 E78N36-V39 PolarHBondContact O-N 3.19Å; G37-V39 PolarHBondContact O-N 3.4Å; V39-R43 WeakPolarHBondContact O-CB 3.5Å; V39-R43 PolarHBondContact O-N 3.46Å; V39-E78 HydrophobicContact CG2-CG 3.8Å
40F90.7Very high89.2Confident56 Ų5653.5 Ų53.525%0.24627%0.273CS..Hα-helixtrans-70.4-50.9174.4178.3-97.5000111.4L4 E5 N36 G37 P38 L42 R43 L44L4-F40 HydrophobicContact CD2-CD1 3.9Å; L4-F40 HydrophobicContact CD2-CE1 4.46Å; L4-F40 HydrophobicContact CG-CD1 4.32Å; L4-F40 HydrophobicContact CG-CE1 4.44Å; E5-F40 HydrophobicContact CB-CE1 4.05Å; E5-F40 HydrophobicContact CB-CZ 3.95Å; E5-F40 HydrophobicContact CG-CZ 4.13Å; N36-F40 WeakPolarHBondContact O-CB 3.4Å; N36-F40 PolarHBondContact O-N 3.35Å; G37-F40 PolarHBondContact O-N 3.27Å; P38-F40 VanDerWaalsContact C-N 3.31Å; P38-F40 PolarHBondContact O-N 3.12Å; F40-L42 PolarHBondContact O-N 3.45Å; F40-R43 WeakPolarHBondContact O-CB 3.39Å; F40-R43 PolarHBondContact O-N 2.99Å; F40-L44 PolarHBondContact O-N 2.89Å
41T91Very high89.3Confident0 Ų053.1 Ų53.10%027%0.273CS..Hα-helixtrans-58.7-49.2179.8-64.30000112.1L8 I31 G37 P38 R43 L44 L45 L67 F75L8-T41 HydrophobicContact CD1-CG2 3.95Å; L8-T41 HydrophobicContact CD2-CG2 4.06Å; I31-T41 HydrophobicContact CD1-CG2 3.81Å; I31-T41 HydrophobicContact CG1-CG2 4.46Å; I31-T41 WeakPolarHBondContact CG1-OG1 3.25Å; G37-T41 WeakPolarHBondContact O-CB 3.46Å; G37-T41 PolarHBondContact O-N 3.1Å; G37-T41 PolarHBondContact O-OG1 3.38Å; G37-T41 VanDerWaalsContact O-OG1 3.07Å; P38-T41 PolarHBondContact O-N 3Å; T41-R43 VanDerWaalsContact C-N 3.26Å; T41-R43 PolarHBondContact O-N 3.16Å; T41-L44 PolarHBondContact O-N 3.37Å; T41-L44 VanDerWaalsContact O-N 3.15Å; T41-L45 HydrophobicContact CG2-CD1 3.76Å; T41-L45 HydrophobicContact CG2-CG 4.28Å; T41-L45 WeakPolarHBondContact O-CG 3.47Å; T41-L45 PolarHBondContact O-N 3.07Å; T41-L67 HydrophobicContact CG2-CD1 3.99Å; T41-F75 HydrophobicContact CG2-CE2 4.15Å
42L92.8Very high89.2Confident8 Ų858.9 Ų58.94%0.04231%0.31CS..Hα-helixtrans-62.7-33.5179.7-69.7171.7000112.2P38 F40 A46 L64 F75 E78 L79 F84P38-L42 WeakPolarHBondContact O-CB 3.15Å; P38-L42 VanDerWaalsContact O-CG 3.28Å; P38-L42 WeakPolarHBondContact O-CG 3.39Å; P38-L42 PolarHBondContact O-N 3.42Å; F40-L42 PolarHBondContact O-N 3.45Å; L42-A46 WeakPolarHBondContact O-CB 3.37Å; L42-A46 PolarHBondContact O-N 3.04Å; L42-L64 HydrophobicContact CD2-CD1 3.94Å; L42-F75 HydrophobicContact CD1-CE2 4.48Å; L42-F75 HydrophobicContact CD2-CE1 4.28Å; L42-F75 HydrophobicContact CD2-CE2 3.89Å; L42-F75 HydrophobicContact CD2-CZ 3.59Å; L42-F75 HydrophobicContact CG-CE2 3.91Å; L42-F75 HydrophobicContact CG-CZ 4.15Å; L42-E78 HydrophobicContact CD1-CB 3.59Å; L42-L79 HydrophobicContact CD1-CB 4.23Å; L42-L79 HydrophobicContact CD2-CB 4.35Å; L42-L79 HydrophobicContact CD2-CD1 3.57Å; L42-F84 HydrophobicContact CB-CD2 3.9Å; L42-F84 HydrophobicContact CB-CE2 4.23Å; L42-F84 HydrophobicContact CD2-CD2 4.14Å; L42-F84 HydrophobicContact CD2-CE2 4.04Å; L42-F84 HydrophobicContact CD2-CG 4.48Å; L42-F84 HydrophobicContact CD2-CZ 4.3Å; L42-F84 WeakPolarHBondContact O-CE2 3.4Å
43R92.6Very high89.5Confident155 Ų15560.8 Ų60.859%0.58532%0.317SS*.Hα-helixtrans-68.5-41.5174.5-171.2-177.6-53156.610.2112.2V39 F40 T41 H47V39-R43 WeakPolarHBondContact O-CB 3.5Å; V39-R43 PolarHBondContact O-N 3.46Å; F40-R43 WeakPolarHBondContact O-CB 3.39Å; F40-R43 PolarHBondContact O-N 2.99Å; T41-R43 VanDerWaalsContact C-N 3.26Å; T41-R43 PolarHBondContact O-N 3.16Å; R43-H47 PolarHBondContact O-N 2.87Å
44L91.7Very high89.8Confident37 Ų3760 Ų6019%0.19431%0.306CS..Hα-helixtrans-67.9-44.9177.8-171.562000110.9E5 L8 F40 T41 H47 K48E5-L44 HydrophobicContact CG-CD2 4.37Å; L8-L44 HydrophobicContact CB-CD2 3.82Å; L8-L44 HydrophobicContact CD1-CD2 3.81Å; L8-L44 HydrophobicContact CG-CD2 4.47Å; F40-L44 PolarHBondContact O-N 2.89Å; T41-L44 PolarHBondContact O-N 3.37Å; T41-L44 VanDerWaalsContact O-N 3.15Å; L44-H47 WeakPolarHBondContact O-CB 3.41Å; L44-H47 PolarHBondContact O-N 3.37Å; L44-K48 WeakPolarHBondContact O-CG 3.48Å; L44-K48 PolarHBondContact O-N 2.99Å
45L92.8Very high90Very high1 Ų160.4 Ų60.41%0.00531%0.306CS..Hα-helixtrans-63.5-40.8175.4-68.8174.9000111.9T12 T41 H47 K48 I49 L63 L64 L67T12-L45 HydrophobicContact CG2-CD2 4.24Å; T41-L45 HydrophobicContact CG2-CD1 3.76Å; T41-L45 HydrophobicContact CG2-CG 4.28Å; T41-L45 WeakPolarHBondContact O-CG 3.47Å; T41-L45 PolarHBondContact O-N 3.07Å; L45-H47 PolarHBondContact O-N 3.45Å; L45-K48 PolarHBondContact O-N 2.95Å; L45-K48 VanDerWaalsContact O-N 3.1Å; L45-I49 HydrophobicContact CB-CD1 4.34Å; L45-I49 WeakPolarHBondContact O-CB 3.29Å; L45-I49 WeakPolarHBondContact O-CD1 3.45Å; L45-I49 WeakPolarHBondContact O-CG1 3.43Å; L45-I49 PolarHBondContact O-N 3.26Å; L45-L63 HydrophobicContact CD2-CD2 4.22Å; L45-L64 HydrophobicContact CD1-CB 4.31Å; L45-L64 HydrophobicContact CD1-CD1 3.87Å; L45-L67 HydrophobicContact CD1-CD1 4.02Å
46A93.6Very high90.7Very high8 Ų855.8 Ų55.87%0.06627%0.274CS..Hα-helixtrans-59-33.5174.600000113.1L42 K50 F84 E87L42-A46 WeakPolarHBondContact O-CB 3.37Å; L42-A46 PolarHBondContact O-N 3.04Å; A46-K50 WeakPolarHBondContact O-CD 3.28Å; A46-K50 WeakPolarHBondContact O-CG 3.37Å; A46-F84 HydrophobicContact CB-CD2 4.13Å; A46-F84 HydrophobicContact CB-CE2 3.87Å; A46-E87 HydrophobicContact CB-CB 4.02Å; A46-E87 HydrophobicContact CB-CG 4.17Å
47H93.1Very high91Very high141 Ų14150 Ų5065%0.65324%0.243SC*.Hα-helixtrans-72.3-44.1172.7-176.4-83.7000111.7R43 L44 L45 K50R43-H47 PolarHBondContact O-N 2.87Å; L44-H47 WeakPolarHBondContact O-CB 3.41Å; L44-H47 PolarHBondContact O-N 3.37Å; L45-H47 PolarHBondContact O-N 3.45Å; H47-K50 PolarHBondContact O-N 3.07Å
48K91Very high91.3Very high38 Ų3851.9 Ų51.917%0.16525%0.252CS..Hα-helixtrans-68.1-37.4-179.1-66.6-73.4-167.4-179.70113.7T12 L44 L45 K50 S51 E56 S60T12-K48 HydrophobicContact CG2-CG 4.48Å; T12-K48 WeakPolarHBondContact OG1-CE 3.47Å; L44-K48 WeakPolarHBondContact O-CG 3.48Å; L44-K48 PolarHBondContact O-N 2.99Å; L45-K48 PolarHBondContact O-N 2.95Å; L45-K48 VanDerWaalsContact O-N 3.1Å; K48-K50 PolarHBondContact O-N 3.45Å; K48-S51 WeakPolarHBondContact O-CB 3.25Å; K48-S51 PolarHBondContact O-N 3.49Å; K48-E56 HydrophobicContact CD-CG 4.01Å; K48-E56 WeakPolarHBondContact CD-OE1 3.27Å; K48-E56 WeakPolarHBondContact CE-OE1 3.37Å; K48-E56 IonicContact NZ-OE1 2.69Å; K48-E56 PolarHBondContact NZ-OE1 3.06Å; K48-S60 WeakPolarHBondContact CB-OG 3.4Å
49I93.1Very high91.3Very high3 Ų352.9 Ų52.92%0.01526%0.26CS..Hα-helixtrans-64.2-25175.2-66.7163000111.6L45 S51 L61 L64 F84 L88 V91L45-I49 HydrophobicContact CB-CD1 4.34Å; L45-I49 WeakPolarHBondContact O-CB 3.29Å; L45-I49 WeakPolarHBondContact O-CD1 3.45Å; L45-I49 WeakPolarHBondContact O-CG1 3.43Å; L45-I49 PolarHBondContact O-N 3.26Å; I49-S51 VanDerWaalsContact C-N 3.35Å; I49-L61 HydrophobicContact CD1-CD2 3.8Å; I49-L61 HydrophobicContact CG1-CD2 3.9Å; I49-L61 HydrophobicContact CG1-CG 4.12Å; I49-L61 HydrophobicContact CG2-CD2 3.79Å; I49-L61 HydrophobicContact CG2-CG 4.18Å; I49-L64 HydrophobicContact CD1-CD2 3.77Å; I49-F84 HydrophobicContact CD1-CZ 4.34Å; I49-L88 HydrophobicContact CD1-CD2 4.27Å; I49-L88 HydrophobicContact CG2-CD2 4.11Å; I49-V91 HydrophobicContact CG2-CG2 4.31Å
50K92.1Very high91.4Very high57 Ų5750.7 Ų50.725%0.24825%0.246CC..THydrogen-bonded Turntrans-89.45.4174.3-68.9174.8176.7-177.60113.7A46 H47 K48 E87 V91 L97A46-K50 WeakPolarHBondContact O-CD 3.28Å; A46-K50 WeakPolarHBondContact O-CG 3.37Å; H47-K50 PolarHBondContact O-N 3.07Å; K48-K50 PolarHBondContact O-N 3.45Å; K50-E87 WeakPolarHBondContact CE-O 3.05Å; K50-E87 IonicContact NZ-OE1 2.78Å; K50-E87 PolarHBondContact NZ-OE1 3.34Å; K50-E87 IonicContact NZ-OE2 3.17Å; K50-E87 PolarHBondContact NZ-OE2 2.97Å; K50-V91 HydrophobicContact CG-CG2 3.63Å; K50-L97 HydrophobicContact CB-CD1 4.28Å; K50-L97 HydrophobicContact CD-CD1 4.29Å; K50-L97 HydrophobicContact CG-CD1 4.05Å
51S89.9Confident91.5Very high22 Ų2248 Ų4815%0.15424%0.235CC..  trans-64.3139.7176.3-175.70000110.6K48 I49 H53 E56K48-S51 WeakPolarHBondContact O-CB 3.25Å; K48-S51 PolarHBondContact O-N 3.49Å; I49-S51 VanDerWaalsContact C-N 3.35Å; S51-H53 PolarHBondContact O-N 3.31Å; S51-H53 PolarHBondContact OG-N 2.9Å; S51-E56 WeakPolarHBondContact CB-OE2 3.49Å; S51-E56 PolarHBondContact OG-OE2 3Å
52P87.7Confident91.5Very high122 Ų12249.8 Ų49.879%0.79225%0.245SC*.SBendtrans-66.8-14.2170.829.9-36.4000112.7E54P52-E54 PolarHBondContact O-N 3.41Å
53H89.8Confident91.4Very high118 Ų11849.6 Ų49.655%0.54624%0.244SC..  trans-81.7105.8176.1-62.5-62.6000110.8S51 K55 E56 A57S51-H53 PolarHBondContact O-N 3.31Å; S51-H53 PolarHBondContact OG-N 2.9Å; H53-K55 VanDerWaalsContact C-N 3.33Å; H53-K55 PolarHBondContact O-N 3.28Å; H53-E56 HydrophobicContact CB-CB 3.98Å; H53-E56 IonicContact CD2-OE2 3.86Å; H53-E56 WeakPolarHBondContact O-CB 3.27Å; H53-E56 PolarHBondContact O-N 2.91Å; H53-A57 PolarHBondContact O-N 2.84Å
54E91Very high91.4Very high88 Ų8842.2 Ų42.241%0.41122%0.217SC..Hα-helixtrans-51.1-45.8-178.8174.2162.8-134.500113.5P52 E56 A57 L58 S102 C104 V105P52-E54 PolarHBondContact O-N 3.41Å; E54-E56 VanDerWaalsContact C-N 3.34Å; E54-E56 PolarHBondContact O-N 3.47Å; E54-A57 PolarHBondContact O-N 3.5Å; E54-L58 HydrophobicContact CG-CD1 3.66Å; E54-L58 HydrophobicContact CG-CG 4.17Å; E54-L58 WeakPolarHBondContact O-CB 3.43Å; E54-L58 VanDerWaalsContact O-CG 3.31Å; E54-L58 WeakPolarHBondContact O-CG 3.39Å; E54-L58 PolarHBondContact O-N 2.81Å; E54-S102 VanDerWaalsContact CD-OG 3.29Å; E54-S102 WeakPolarHBondContact OE1-CB 3.42Å; E54-S102 PolarHBondContact OE1-OG 3.46Å; E54-C104 WeakPolarHBondContact OE1-CB 3.47Å; E54-V105 HydrophobicContact CG-CG2 4.27Å
55K88.9Confident91.4Very high112 Ų11241.1 Ų41.149%0.48721%0.211SC..Hα-helixtrans-58.1-42.5175.5-81.4-160.8173.5-166.20112.5P14 D17 H53 S59P14-K55 HydrophobicContact CB-CB 3.99Å; P14-K55 WeakPolarHBondContact O-CD 3.44Å; D17-K55 IonicContact OD1-NZ 2.73Å; D17-K55 PolarHBondContact OD1-NZ 3.03Å; H53-K55 VanDerWaalsContact C-N 3.33Å; H53-K55 PolarHBondContact O-N 3.28Å; K55-S59 VanDerWaalsContact O-CB 3.32Å; K55-S59 WeakPolarHBondContact O-CB 3.41Å; K55-S59 PolarHBondContact O-N 3.17Å; K55-S59 PolarHBondContact O-OG 3.16Å; K55-S59 VanDerWaalsContact O-OG 3.08Å
56E91Very high91.2Very high24 Ų2443.9 Ų43.911%0.11222%0.222CC..Hα-helixtrans-67.9-43.1179.3177.4171.9-144.900111.4P14 K48 S51 H53 E54 S60P14-E56 HydrophobicContact CB-CB 4.48Å; K48-E56 HydrophobicContact CD-CG 4.01Å; K48-E56 WeakPolarHBondContact CD-OE1 3.27Å; K48-E56 WeakPolarHBondContact CE-OE1 3.37Å; K48-E56 IonicContact NZ-OE1 2.69Å; K48-E56 PolarHBondContact NZ-OE1 3.06Å; S51-E56 WeakPolarHBondContact CB-OE2 3.49Å; S51-E56 PolarHBondContact OG-OE2 3Å; H53-E56 HydrophobicContact CB-CB 3.98Å; H53-E56 IonicContact CD2-OE2 3.86Å; H53-E56 WeakPolarHBondContact O-CB 3.27Å; H53-E56 PolarHBondContact O-N 2.91Å; E54-E56 VanDerWaalsContact C-N 3.34Å; E54-E56 PolarHBondContact O-N 3.47Å; E56-S60 VanDerWaalsContact O-CB 3.32Å; E56-S60 WeakPolarHBondContact O-CB 3.46Å; E56-S60 PolarHBondContact O-N 2.84Å; E56-S60 PolarHBondContact O-OG 2.67Å
57A92.6Very high91Very high2 Ų243.5 Ų43.52%0.01722%0.219CC..Hα-helixtrans-64.8-45.2176.900000111.9H53 E54 S60 L61 V105H53-A57 PolarHBondContact O-N 2.84Å; E54-A57 PolarHBondContact O-N 3.5Å; A57-S60 WeakPolarHBondContact O-CB 3.29Å; A57-S60 PolarHBondContact O-N 3.48Å; A57-L61 WeakPolarHBondContact O-CG 3.12Å; A57-L61 PolarHBondContact O-N 3.45Å; A57-V105 HydrophobicContact CB-CG1 4.15Å; A57-V105 HydrophobicContact CB-CG2 3.81Å
58L91.8Very high90.8Very high40 Ų4037 Ų3721%0.20919%0.19CC..Hα-helixtrans-64-49.1176.7-72.2175.1000112E54 S60 L61 V62 C104 V105 K108E54-L58 HydrophobicContact CG-CD1 3.66Å; E54-L58 HydrophobicContact CG-CG 4.17Å; E54-L58 WeakPolarHBondContact O-CB 3.43Å; E54-L58 VanDerWaalsContact O-CG 3.31Å; E54-L58 WeakPolarHBondContact O-CG 3.39Å; E54-L58 PolarHBondContact O-N 2.81Å; L58-S60 PolarHBondContact O-N 3.22Å; L58-L61 PolarHBondContact O-N 3.01Å; L58-L61 VanDerWaalsContact O-N 3.09Å; L58-V62 WeakPolarHBondContact O-CG2 3.45Å; L58-V62 PolarHBondContact O-N 2.68Å; L58-C104 HydrophobicContact CD1-CB 4.37Å; L58-C104 HydrophobicContact CD2-CB 4.4Å; L58-V105 HydrophobicContact CD2-CB 4.48Å; L58-V105 HydrophobicContact CD2-CG2 3.81Å; L58-V105 HydrophobicContact CG-CG2 3.81Å; L58-K108 HydrophobicContact CD2-CB 4.26Å
59S90.1Very high90.6Very high32 Ų3240.6 Ų40.622%0.22421%0.206CC..Hα-helixtrans-58.3-34.9175.8-68.20000112K55 L63K55-S59 VanDerWaalsContact O-CB 3.32Å; K55-S59 WeakPolarHBondContact O-CB 3.41Å; K55-S59 PolarHBondContact O-N 3.17Å; K55-S59 PolarHBondContact O-OG 3.16Å; K55-S59 VanDerWaalsContact O-OG 3.08Å; S59-L63 VanDerWaalsContact O-CB 3.24Å; S59-L63 WeakPolarHBondContact O-CB 3.48Å; S59-L63 PolarHBondContact O-N 2.65Å
60S92.6Very high90.2Very high0 Ų046 Ų460%023%0.226CC..Hα-helixtrans-69.5-38.4175.5-57.30000113.3T12 K48 E56 A57 L58 L64T12-S60 VanDerWaalsContact CG2-OG 3.25Å; T12-S60 WeakPolarHBondContact CG2-OG 3.29Å; K48-S60 WeakPolarHBondContact CB-OG 3.4Å; E56-S60 VanDerWaalsContact O-CB 3.32Å; E56-S60 WeakPolarHBondContact O-CB 3.46Å; E56-S60 PolarHBondContact O-N 2.84Å; E56-S60 PolarHBondContact O-OG 2.67Å; A57-S60 WeakPolarHBondContact O-CB 3.29Å; A57-S60 PolarHBondContact O-N 3.48Å; L58-S60 PolarHBondContact O-N 3.22Å; S60-L64 VanDerWaalsContact O-CB 3.25Å; S60-L64 WeakPolarHBondContact O-CB 3.29Å; S60-L64 PolarHBondContact O-N 3.42Å
61L93Very high89.8Confident0 Ų043.9 Ų43.90%022%0.218CC..Hα-helixtrans-69.4-40.6174.1-71171.5000112.1I49 A57 L58 L64 E65 L88 V105 K108 C109 L112I49-L61 HydrophobicContact CD1-CD2 3.8Å; I49-L61 HydrophobicContact CG1-CD2 3.9Å; I49-L61 HydrophobicContact CG1-CG 4.12Å; I49-L61 HydrophobicContact CG2-CD2 3.79Å; I49-L61 HydrophobicContact CG2-CG 4.18Å; A57-L61 WeakPolarHBondContact O-CG 3.12Å; A57-L61 PolarHBondContact O-N 3.45Å; L58-L61 PolarHBondContact O-N 3.01Å; L58-L61 VanDerWaalsContact O-N 3.09Å; L61-L64 WeakPolarHBondContact O-CB 3.28Å; L61-L64 PolarHBondContact O-N 2.93Å; L61-E65 PolarHBondContact O-N 3.01Å; L61-L88 HydrophobicContact CD2-CD2 4.48Å; L61-V105 HydrophobicContact CD1-CG1 3.91Å; L61-K108 HydrophobicContact CB-CG 3.94Å; L61-K108 HydrophobicContact CD1-CB 3.99Å; L61-K108 HydrophobicContact CD1-CG 3.99Å; L61-C109 VanDerWaalsContact CD1-SG 3.59Å; L61-C109 VanDerWaalsContact CD2-SG 3.54Å; L61-L112 HydrophobicContact CB-CD1 4.09Å; L61-L112 HydrophobicContact CD2-CD1 4Å; L61-L112 WeakPolarHBondContact O-CD1 3.34Å
62V90.6Very high89.4Confident37 Ų3743.7 Ų43.722%0.22422%0.219CC..Hα-helixtrans-64.1-47.2175.9171.90000110.3Y19 L58 L64 E65 F66Y19-V62 HydrophobicContact CE1-CG1 3.8Å; L58-V62 WeakPolarHBondContact O-CG2 3.45Å; L58-V62 PolarHBondContact O-N 2.68Å; V62-L64 VanDerWaalsContact C-N 3.31Å; V62-L64 PolarHBondContact O-N 3.39Å; V62-E65 VanDerWaalsContact O-CB 3.29Å; V62-E65 WeakPolarHBondContact O-CB 3.31Å; V62-E65 PolarHBondContact O-N 3.4Å; V62-E65 VanDerWaalsContact O-N 3.12Å; V62-F66 HydrophobicContact CG1-CD2 4.05Å; V62-F66 HydrophobicContact CG1-CE2 3.64Å; V62-F66 WeakPolarHBondContact O-CD2 3.37Å; V62-F66 PolarHBondContact O-N 2.9Å; V62-F66 VanDerWaalsContact O-N 3.17Å
63L90.9Very high89.2Confident5 Ų542.8 Ų42.83%0.02621%0.214CC..Hα-helixtrans-59-42.4174.1-179.958.2000111.8L8 A11 T12 V24 L45 S59 E65 F66 L67L8-L63 HydrophobicContact CD2-CD2 3.92Å; A11-L63 HydrophobicContact CB-CD2 3.77Å; T12-L63 HydrophobicContact CG2-CD2 4.11Å; V24-L63 HydrophobicContact CG1-CD1 4.18Å; V24-L63 HydrophobicContact CG2-CD1 4.12Å; L45-L63 HydrophobicContact CD2-CD2 4.22Å; S59-L63 VanDerWaalsContact O-CB 3.24Å; S59-L63 WeakPolarHBondContact O-CB 3.48Å; S59-L63 PolarHBondContact O-N 2.65Å; L63-E65 VanDerWaalsContact C-N 3.29Å; L63-E65 PolarHBondContact O-N 2.98Å; L63-F66 PolarHBondContact O-N 3.13Å; L63-L67 HydrophobicContact CD1-CD1 4.37Å; L63-L67 HydrophobicContact CD1-CG 4.25Å; L63-L67 HydrophobicContact CG-CD1 4.16Å; L63-L67 HydrophobicContact CG-CG 4.45Å; L63-L67 WeakPolarHBondContact O-CG 3.35Å; L63-L67 PolarHBondContact O-N 3.2Å
64L93Very high89.1Confident0 Ų041.3 Ų41.30%021%0.213CC..Hα-helixtrans-61.7-36176.1-175.961.7000112.6L42 L45 I49 S60 L61 V62 S68 F75 L79 F84 W116L42-L64 HydrophobicContact CD2-CD1 3.94Å; L45-L64 HydrophobicContact CD1-CB 4.31Å; L45-L64 HydrophobicContact CD1-CD1 3.87Å; I49-L64 HydrophobicContact CD1-CD2 3.77Å; S60-L64 VanDerWaalsContact O-CB 3.25Å; S60-L64 WeakPolarHBondContact O-CB 3.29Å; S60-L64 PolarHBondContact O-N 3.42Å; L61-L64 WeakPolarHBondContact O-CB 3.28Å; L61-L64 PolarHBondContact O-N 2.93Å; V62-L64 VanDerWaalsContact C-N 3.31Å; V62-L64 PolarHBondContact O-N 3.39Å; L64-S68 WeakPolarHBondContact O-CB 3.3Å; L64-S68 PolarHBondContact O-N 2.91Å; L64-S68 PolarHBondContact O-OG 3.41Å; L64-F75 HydrophobicContact CD1-CE1 4.41Å; L64-F75 HydrophobicContact CD1-CZ 4.1Å; L64-L79 HydrophobicContact CD1-CD1 3.95Å; L64-F84 HydrophobicContact CD1-CZ 4.44Å; L64-F84 HydrophobicContact CD2-CE1 3.97Å; L64-F84 HydrophobicContact CD2-CZ 3.58Å; L64-W116 HydrophobicContact CD2-CH2 3.66Å; L64-W116 HydrophobicContact CD2-CZ2 4.25Å; L64-W116 HydrophobicContact CG-CH2 3.93Å; L64-W116 HydrophobicContact CG-CZ2 4.01Å
65E91.5Very high89.1Confident14 Ų1437.1 Ų37.17%0.06519%0.193CC..Hα-helixtrans-60.1-50.6172.2-164.7-175146.900111.3L61 V62 L63 L67 S68 K69 K108 L112L61-E65 PolarHBondContact O-N 3.01Å; V62-E65 VanDerWaalsContact O-CB 3.29Å; V62-E65 WeakPolarHBondContact O-CB 3.31Å; V62-E65 PolarHBondContact O-N 3.4Å; V62-E65 VanDerWaalsContact O-N 3.12Å; L63-E65 VanDerWaalsContact C-N 3.29Å; L63-E65 PolarHBondContact O-N 2.98Å; E65-L67 PolarHBondContact O-N 3.12Å; E65-S68 PolarHBondContact O-N 3.02Å; E65-S68 PolarHBondContact O-OG 3.42Å; E65-K69 PolarHBondContact O-N 2.98Å; E65-K69 IonicContact OE1-NZ 3.49Å; E65-K69 PolarHBondContact OE1-NZ 3.39Å; E65-K108 WeakPolarHBondContact OE2-CE 3.44Å; E65-K108 IonicContact OE2-NZ 2.68Å; E65-K108 PolarHBondContact OE2-NZ 2.87Å; E65-L112 HydrophobicContact CB-CD2 3.68Å; E65-L112 HydrophobicContact CG-CD2 3.54Å
66F88.1Confident89.1Confident58 Ų5833 Ų3325%0.25418%0.176SC..Hα-helixtrans-63-40.3179-73.8-72.2000112.8Y19 V24 V62 L63 K69 R70Y19-F66 HydrophobicContact CE2-CD2 4.34Å; Y19-F66 AromaticContact CE2-CE2 3.94Å; Y19-F66 HydrophobicContact CE2-CE2 3.94Å; Y19-F66 HydrophobicContact CE2-CZ 4.36Å; Y19-F66 AromaticContact CZ-CE2 3.65Å; Y19-F66 WeakPolarHBondContact OH-CE2 3.3Å; V24-F66 HydrophobicContact CG1-CB 3.79Å; V24-F66 HydrophobicContact CG1-CG 4.47Å; V62-F66 HydrophobicContact CG1-CD2 4.05Å; V62-F66 HydrophobicContact CG1-CE2 3.64Å; V62-F66 WeakPolarHBondContact O-CD2 3.37Å; V62-F66 PolarHBondContact O-N 2.9Å; V62-F66 VanDerWaalsContact O-N 3.17Å; L63-F66 PolarHBondContact O-N 3.13Å; F66-K69 PolarHBondContact O-N 2.95Å; F66-R70 WeakPolarHBondContact O-CB 3.32Å; F66-R70 WeakPolarHBondContact O-CG 3.38Å; F66-R70 PolarHBondContact O-N 3.4Å
67L89.4Confident89Confident0 Ų034 Ų340%019%0.186CC..Hα-helixtrans-65.5-39.3175.9-64.8178000111.5I27 I31 T41 L45 L63 E65 K69 R70 C71 F75I27-L67 HydrophobicContact CG2-CD1 4.29Å; I27-L67 HydrophobicContact CG2-CD2 3.86Å; I31-L67 HydrophobicContact CD1-CD1 3.92Å; I31-L67 HydrophobicContact CD1-CD2 3.89Å; I31-L67 HydrophobicContact CD1-CG 4.47Å; T41-L67 HydrophobicContact CG2-CD1 3.99Å; L45-L67 HydrophobicContact CD1-CD1 4.02Å; L63-L67 HydrophobicContact CD1-CD1 4.37Å; L63-L67 HydrophobicContact CD1-CG 4.25Å; L63-L67 HydrophobicContact CG-CD1 4.16Å; L63-L67 HydrophobicContact CG-CG 4.45Å; L63-L67 WeakPolarHBondContact O-CG 3.35Å; L63-L67 PolarHBondContact O-N 3.2Å; E65-L67 PolarHBondContact O-N 3.12Å; L67-K69 PolarHBondContact O-N 3.29Å; L67-R70 PolarHBondContact O-N 2.93Å; L67-C71 WeakPolarHBondContact O-CB 3.48Å; L67-C71 PolarHBondContact O-N 2.91Å; L67-C71 PolarHBondContact O-SG 2.69Å; L67-C71 VanDerWaalsContact O-SG 3.38Å; L67-F75 HydrophobicContact CB-CE1 3.98Å; L67-F75 HydrophobicContact CB-CZ 3.87Å; L67-F75 HydrophobicContact CD1-CZ 4.39Å
68S89Confident88.9Confident5 Ų536.7 Ų36.74%0.03520%0.198CC..Hα-helixtrans-62.3-25.7174.874.40000113.6L64 E65 W116L64-S68 WeakPolarHBondContact O-CB 3.3Å; L64-S68 PolarHBondContact O-N 2.91Å; L64-S68 PolarHBondContact O-OG 3.41Å; E65-S68 PolarHBondContact O-N 3.02Å; E65-S68 PolarHBondContact O-OG 3.42Å; S68-W116 PolarHBondContact OG-NE1 3.41Å; S68-W116 VanDerWaalsContact OG-NE1 3.09Å
69K87Confident89Confident114 Ų11434.8 Ų34.850%0.49619%0.189SC..Hα-helixtrans-92.1-17.8177.5-70.4172.1173.9172.10114.2E65 F66 L67E65-K69 PolarHBondContact O-N 2.98Å; E65-K69 IonicContact OE1-NZ 3.49Å; E65-K69 PolarHBondContact OE1-NZ 3.39Å; F66-K69 PolarHBondContact O-N 2.95Å; L67-K69 PolarHBondContact O-N 3.29Å
70R84Confident89Confident116 Ų11633.3 Ų33.344%0.43818%0.178SC..Hα-helixtrans-115.1-28.9-173.1-67.9-175.9-172.7-97.5-7115.3N25 S28 F66 L67N25-R70 PolarHBondContact OD1-NH1 2.8Å; S28-R70 PolarHBondContact OG-O 3.18Å; F66-R70 WeakPolarHBondContact O-CB 3.32Å; F66-R70 WeakPolarHBondContact O-CG 3.38Å; F66-R70 PolarHBondContact O-N 3.4Å; L67-R70 PolarHBondContact O-N 2.93Å
71C83.4Confident89Confident12 Ų1236.9 Ų36.98%0.08119%0.193CC..SBendtrans-80.9161.9-176.7-60.30000113S28 L67 F75S28-C71 PolarHBondContact OG-SG 3.14Å; L67-C71 WeakPolarHBondContact O-CB 3.48Å; L67-C71 PolarHBondContact O-N 2.91Å; L67-C71 PolarHBondContact O-SG 2.69Å; L67-C71 VanDerWaalsContact O-SG 3.38Å; C71-F75 HydrophobicContact CB-CB 3.62Å; C71-F75 HydrophobicContact CB-CD1 3.97Å; C71-F75 HydrophobicContact CB-CD2 4.39Å; C71-F75 HydrophobicContact CB-CG 3.75Å
72G81.7Confident88.9Confident18 Ų1840.4 Ų40.419%0.18621%0.209CC..  trans-67.7171.3179.100000115.4D32 T74 F75D32-G72 PolarHBondContact OD1-N 2.76Å; G72-T74 PolarHBondContact O-N 2.96Å; G72-T74 VanDerWaalsContact O-N 3.12Å; G72-F75 WeakPolarHBondContact O-CB 3.5Å; G72-F75 PolarHBondContact O-N 2.91Å
73P84.7Confident89Confident104 Ų10446.4 Ų46.468%0.67523%0.232SC*.Hα-helixtrans-62.9-21.7-177.326-35.4000114.1F75 I76 S77P73-F75 VanDerWaalsContact C-N 3.32Å; P73-I76 PolarHBondContact O-N 3.48Å; P73-S77 PolarHBondContact O-N 3.08Å
74T87.1Confident89.2Confident87 Ų8746.7 Ų46.753%0.53423%0.233SC..Hα-helixtrans-61.8-38.917249.40000111.8G72 E78G72-T74 PolarHBondContact O-N 2.96Å; G72-T74 VanDerWaalsContact O-N 3.12Å; T74-E78 PolarHBondContact O-N 3.49Å
75F90.6Very high89.2Confident0 Ų046.7 Ų46.70%023%0.233CC..Hα-helixtrans-66.7-44.5175.3-175.1-93.8000111.5I31 P38 T41 L42 L64 L67 C71 G72 P73 S77 E78 L79I31-F75 HydrophobicContact CD1-CE2 4.44Å; I31-F75 HydrophobicContact CG2-CD2 3.81Å; I31-F75 HydrophobicContact CG2-CE2 4.45Å; P38-F75 HydrophobicContact CB-CB 4.41Å; P38-F75 HydrophobicContact CB-CD2 3.91Å; P38-F75 HydrophobicContact CG-CB 4.47Å; P38-F75 HydrophobicContact CG-CD2 4.45Å; T41-F75 HydrophobicContact CG2-CE2 4.15Å; L42-F75 HydrophobicContact CD1-CE2 4.48Å; L42-F75 HydrophobicContact CD2-CE1 4.28Å; L42-F75 HydrophobicContact CD2-CE2 3.89Å; L42-F75 HydrophobicContact CD2-CZ 3.59Å; L42-F75 HydrophobicContact CG-CE2 3.91Å; L42-F75 HydrophobicContact CG-CZ 4.15Å; L64-F75 HydrophobicContact CD1-CE1 4.41Å; L64-F75 HydrophobicContact CD1-CZ 4.1Å; L67-F75 HydrophobicContact CB-CE1 3.98Å; L67-F75 HydrophobicContact CB-CZ 3.87Å; L67-F75 HydrophobicContact CD1-CZ 4.39Å; C71-F75 HydrophobicContact CB-CB 3.62Å; C71-F75 HydrophobicContact CB-CD1 3.97Å; C71-F75 HydrophobicContact CB-CD2 4.39Å; C71-F75 HydrophobicContact CB-CG 3.75Å; G72-F75 WeakPolarHBondContact O-CB 3.5Å; G72-F75 PolarHBondContact O-N 2.91Å; P73-F75 VanDerWaalsContact C-N 3.32Å; F75-S77 PolarHBondContact O-N 2.91Å; F75-E78 PolarHBondContact O-N 3.02Å; F75-L79 HydrophobicContact CE1-CD2 4.43Å; F75-L79 VanDerWaalsContact O-CB 3.26Å; F75-L79 WeakPolarHBondContact O-CB 3.36Å; F75-L79 PolarHBondContact O-N 3.49Å
76I89.6Confident89.2Confident25 Ų2549.5 Ų49.513%0.12825%0.249CC..Hα-helixtrans-63.9-39.7179.8-61.6162.9000111.2P73 L79 G80 F120 F127P73-I76 PolarHBondContact O-N 3.48Å; I76-L79 WeakPolarHBondContact O-CB 3.35Å; I76-L79 PolarHBondContact O-N 2.92Å; I76-G80 PolarHBondContact O-N 3.24Å; I76-F120 HydrophobicContact CD1-CD1 4.32Å; I76-F120 HydrophobicContact CD1-CE1 3.61Å; I76-F120 HydrophobicContact CD1-CZ 3.92Å; I76-F120 HydrophobicContact CG1-CE1 4.22Å; I76-F120 HydrophobicContact CG1-CZ 4.15Å; I76-F120 HydrophobicContact CG2-CD1 3.96Å; I76-F120 HydrophobicContact CG2-CD2 4.24Å; I76-F120 HydrophobicContact CG2-CE1 4.18Å; I76-F120 HydrophobicContact CG2-CE2 4.44Å; I76-F120 HydrophobicContact CG2-CG 4.01Å; I76-F120 HydrophobicContact CG2-CZ 4.42Å; I76-F127 HydrophobicContact CG2-CE2 4.4Å
77S88.9Confident89.5Confident46 Ų4649 Ų4932%0.32225%0.247SC..Hα-helixtrans-71.1-33.2177.5-169.10000113.3P73 F75 K81 E124P73-S77 PolarHBondContact O-N 3.08Å; F75-S77 PolarHBondContact O-N 2.91Å; S77-K81 WeakPolarHBondContact O-CG 3.35Å; S77-E124 WeakPolarHBondContact CA-OE1 3.46Å; S77-E124 WeakPolarHBondContact CB-OE1 3.34Å; S77-E124 PolarHBondContact OG-OE1 3.46Å
78E90.9Very high89.6Confident58 Ų5849.2 Ų49.227%0.27125%0.248SC..Hα-helixtrans-69.7-39.5169.5-68.2-62.1155.300112.1P38 V39 L42 T74 F75 G80 K81P38-E78 HydrophobicContact CB-CB 4.38Å; P38-E78 HydrophobicContact CB-CG 4.17Å; V39-E78 HydrophobicContact CG2-CG 3.8Å; L42-E78 HydrophobicContact CD1-CB 3.59Å; T74-E78 PolarHBondContact O-N 3.49Å; F75-E78 PolarHBondContact O-N 3.02Å; E78-G80 VanDerWaalsContact C-N 3.34Å; E78-G80 PolarHBondContact O-N 2.85Å; E78-K81 PolarHBondContact O-N 3.48Å; E78-K81 IonicContact OE1-NZ 3.18Å; E78-K81 PolarHBondContact OE1-NZ 3.36Å; E78-K81 WeakPolarHBondContact OE2-CD 3.36Å; E78-K81 WeakPolarHBondContact OE2-CE 3.42Å; E78-K81 IonicContact OE2-NZ 2.77Å; E78-K81 PolarHBondContact OE2-NZ 2.97Å
79L92.3Very high89.7Confident0 Ų050 Ų500%025%0.251CS..Hα-helixtrans-61-41.1176.8-179.870.5000111.7L42 L64 F75 I76 K81 F84 W116 F127L42-L79 HydrophobicContact CD1-CB 4.23Å; L42-L79 HydrophobicContact CD2-CB 4.35Å; L42-L79 HydrophobicContact CD2-CD1 3.57Å; L64-L79 HydrophobicContact CD1-CD1 3.95Å; F75-L79 HydrophobicContact CE1-CD2 4.43Å; F75-L79 VanDerWaalsContact O-CB 3.26Å; F75-L79 WeakPolarHBondContact O-CB 3.36Å; F75-L79 PolarHBondContact O-N 3.49Å; I76-L79 WeakPolarHBondContact O-CB 3.35Å; I76-L79 PolarHBondContact O-N 2.92Å; L79-K81 VanDerWaalsContact C-N 3.27Å; L79-K81 PolarHBondContact O-N 2.98Å; L79-F84 HydrophobicContact CD1-CD1 3.56Å; L79-F84 HydrophobicContact CD1-CE1 3.41Å; L79-F84 VanDerWaalsContact CD1-CE1 3.41Å; L79-F84 HydrophobicContact CD1-CG 4.39Å; L79-F84 HydrophobicContact CD1-CZ 4.14Å; L79-W116 HydrophobicContact CD1-CH2 4.13Å; L79-W116 HydrophobicContact CD1-CZ3 4.32Å; L79-W116 HydrophobicContact CD2-CD2 4.33Å; L79-W116 HydrophobicContact CD2-CH2 4.36Å; L79-W116 HydrophobicContact CD2-CZ2 4.12Å; L79-F127 HydrophobicContact CB-CZ 4.27Å; L79-F127 HydrophobicContact CD2-CE1 4.33Å; L79-F127 HydrophobicContact CD2-CZ 4Å; L79-F127 HydrophobicContact CG-CE1 4.05Å; L79-F127 HydrophobicContact CG-CZ 3.86Å
80G90.5Very high90Very high0 Ų047.7 Ų47.70%024%0.242CC..THydrogen-bonded Turntrans-71.3-12.3178.700000114.7I76 E78 L85 K126I76-G80 PolarHBondContact O-N 3.24Å; E78-G80 VanDerWaalsContact C-N 3.34Å; E78-G80 PolarHBondContact O-N 2.85Å; G80-L85 VanDerWaalsContact O-CD1 3.26Å; G80-L85 WeakPolarHBondContact O-CD1 3.25Å; G80-K126 WeakPolarHBondContact O-CB 3.47Å; G80-K126 VanDerWaalsContact O-CD 3.24Å; G80-K126 WeakPolarHBondContact O-CD 3.49Å
81K92.1Very high90.3Very high75 Ų7542.1 Ų42.133%0.32622%0.221SC..SBendtrans-69.4140.9178.5-72.2171.4-164.9178.60111.1S77 E78 L79 K83 F84 L85S77-K81 WeakPolarHBondContact O-CG 3.35Å; E78-K81 PolarHBondContact O-N 3.48Å; E78-K81 IonicContact OE1-NZ 3.18Å; E78-K81 PolarHBondContact OE1-NZ 3.36Å; E78-K81 WeakPolarHBondContact OE2-CD 3.36Å; E78-K81 WeakPolarHBondContact OE2-CE 3.42Å; E78-K81 IonicContact OE2-NZ 2.77Å; E78-K81 PolarHBondContact OE2-NZ 2.97Å; L79-K81 VanDerWaalsContact C-N 3.27Å; L79-K81 PolarHBondContact O-N 2.98Å; K81-K83 HydrophobicContact CB-CB 4.48Å; K81-K83 PolarHBondContact O-N 3.23Å; K81-F84 PolarHBondContact O-N 2.8Å; K81-L85 PolarHBondContact O-N 3.24Å; K81-L85 VanDerWaalsContact O-N 3.11Å
82F92.3Very high90.6Very high75 Ų7541.9 Ų41.933%0.32922%0.219SC..Hα-helixtrans-51.7-24.6171.4-70.5-65.9000114F84 L85 N86 K126 E129F82-F84 PolarHBondContact O-N 2.9Å; F82-L85 HydrophobicContact CD1-CD1 4.38Å; F82-N86 WeakPolarHBondContact O-CB 3.39Å; F82-N86 PolarHBondContact O-N 3.1Å; F82-N86 PolarHBondContact O-ND2 2.83Å; F82-K126 HydrophobicContact CD2-CD 4.3Å; F82-K126 HydrophobicContact CE2-CB 4.31Å; F82-K126 HydrophobicContact CE2-CD 4.16Å; F82-K126 HydrophobicContact CE2-CG 4.1Å; F82-K126 HydrophobicContact CZ-CB 4.17Å; F82-K126 HydrophobicContact CZ-CG 4.4Å; F82-E129 HydrophobicContact CZ-CB 4.45Å; F82-E129 HydrophobicContact CZ-CG 4.37Å; F82-E129 WeakPolarHBondContact CZ-OE2 3.45Å
83K92.7Very high90.9Very high163 Ų16341.3 Ų41.371%0.70921%0.211SC*.Hα-helixtrans-58.1-34.1173.1-170.9170.4-175.7170.80113.5K81 E87K81-K83 HydrophobicContact CB-CB 4.48Å; K81-K83 PolarHBondContact O-N 3.23Å; K83-E87 WeakPolarHBondContact O-CG 3.22Å
84F93.6Very high90.9Very high10 Ų1039.7 Ų39.74%0.04420%0.201CC..Hα-helixtrans-94.4-42.8173.7-176.6-95.5000111.7L42 A46 I49 L64 L79 K81 F82 N86 E87 L88L42-F84 HydrophobicContact CB-CD2 3.9Å; L42-F84 HydrophobicContact CB-CE2 4.23Å; L42-F84 HydrophobicContact CD2-CD2 4.14Å; L42-F84 HydrophobicContact CD2-CE2 4.04Å; L42-F84 HydrophobicContact CD2-CG 4.48Å; L42-F84 HydrophobicContact CD2-CZ 4.3Å; L42-F84 WeakPolarHBondContact O-CE2 3.4Å; A46-F84 HydrophobicContact CB-CD2 4.13Å; A46-F84 HydrophobicContact CB-CE2 3.87Å; I49-F84 HydrophobicContact CD1-CZ 4.34Å; L64-F84 HydrophobicContact CD1-CZ 4.44Å; L64-F84 HydrophobicContact CD2-CE1 3.97Å; L64-F84 HydrophobicContact CD2-CZ 3.58Å; L79-F84 HydrophobicContact CD1-CD1 3.56Å; L79-F84 HydrophobicContact CD1-CE1 3.41Å; L79-F84 VanDerWaalsContact CD1-CE1 3.41Å; L79-F84 HydrophobicContact CD1-CG 4.39Å; L79-F84 HydrophobicContact CD1-CZ 4.14Å; K81-F84 PolarHBondContact O-N 2.8Å; F82-F84 PolarHBondContact O-N 2.9Å; F84-N86 VanDerWaalsContact C-N 3.26Å; F84-N86 PolarHBondContact O-N 2.95Å; F84-E87 WeakPolarHBondContact O-CA 3.34Å; F84-E87 VanDerWaalsContact O-CB 3.3Å; F84-E87 WeakPolarHBondContact O-CB 3.3Å; F84-E87 PolarHBondContact O-N 3.13Å; F84-L88 HydrophobicContact CD1-CD1 4.38Å; F84-L88 HydrophobicContact CE1-CD1 3.74Å; F84-L88 HydrophobicContact CE1-CD2 4.36Å; F84-L88 HydrophobicContact CE1-CG 3.92Å; F84-L88 HydrophobicContact CZ-CD2 4.38Å; F84-L88 HydrophobicContact CZ-CG 4.37Å; F84-L88 PolarHBondContact O-N 3.44Å
85L93Very high90.8Very high1 Ų142.8 Ų42.81%0.00521%0.207CC..Hα-helixtrans-58.6-36.9179.2-59.6174.6000112.4G80 K81 F82 E87 L88 I89 L113 K126 F127 A130G80-L85 VanDerWaalsContact O-CD1 3.26Å; G80-L85 WeakPolarHBondContact O-CD1 3.25Å; K81-L85 PolarHBondContact O-N 3.24Å; K81-L85 VanDerWaalsContact O-N 3.11Å; F82-L85 HydrophobicContact CD1-CD1 4.38Å; L85-E87 PolarHBondContact O-N 2.88Å; L85-L88 PolarHBondContact O-N 3.15Å; L85-L88 VanDerWaalsContact O-N 3.14Å; L85-I89 WeakPolarHBondContact O-CD1 3.39Å; L85-I89 VanDerWaalsContact O-CG1 3.29Å; L85-I89 WeakPolarHBondContact O-CG1 3.3Å; L85-I89 PolarHBondContact O-N 2.9Å; L85-L113 HydrophobicContact CD2-CD2 4.05Å; L85-K126 HydrophobicContact CD1-CB 4.09Å; L85-F127 HydrophobicContact CD2-CD1 3.83Å; L85-F127 HydrophobicContact CD2-CE1 3.92Å; L85-A130 HydrophobicContact CB-CB 4.39Å; L85-A130 HydrophobicContact CD1-CB 3.99Å
86N92.7Very high90.7Very high73 Ų7349.6 Ų49.639%0.3923%0.234SC..Hα-helixtrans-63.4-23.6174.5-70.8-14.3000113.1F82 F84 K90F82-N86 WeakPolarHBondContact O-CB 3.39Å; F82-N86 PolarHBondContact O-N 3.1Å; F82-N86 PolarHBondContact O-ND2 2.83Å; F84-N86 VanDerWaalsContact C-N 3.26Å; F84-N86 PolarHBondContact O-N 2.95Å; N86-K90 WeakPolarHBondContact O-CD 3.49Å; N86-K90 VanDerWaalsContact O-CG 3.23Å; N86-K90 WeakPolarHBondContact O-CG 3.38Å; N86-K90 PolarHBondContact O-N 2.74Å
87E93.8Very high90.5Very high48 Ų4850.6 Ų50.622%0.22424%0.239CC..Hα-helixtrans-77.1-35.4175.9-58.7-69.579.700111.2A46 K50 K83 F84 L85 K90 V91A46-E87 HydrophobicContact CB-CB 4.02Å; A46-E87 HydrophobicContact CB-CG 4.17Å; K50-E87 WeakPolarHBondContact CE-O 3.05Å; K50-E87 IonicContact NZ-OE1 2.78Å; K50-E87 PolarHBondContact NZ-OE1 3.34Å; K50-E87 IonicContact NZ-OE2 3.17Å; K50-E87 PolarHBondContact NZ-OE2 2.97Å; K83-E87 WeakPolarHBondContact O-CG 3.22Å; F84-E87 WeakPolarHBondContact O-CA 3.34Å; F84-E87 VanDerWaalsContact O-CB 3.3Å; F84-E87 WeakPolarHBondContact O-CB 3.3Å; F84-E87 PolarHBondContact O-N 3.13Å; L85-E87 PolarHBondContact O-N 2.88Å; E87-K90 WeakPolarHBondContact OE1-CD 3.39Å; E87-K90 WeakPolarHBondContact OE1-CE 3.22Å; E87-K90 IonicContact OE1-NZ 2.61Å; E87-K90 PolarHBondContact OE1-NZ 3.02Å; E87-V91 WeakPolarHBondContact O-CG2 3.36Å
88L92.7Very high90.2Very high3 Ų348.5 Ų48.52%0.01623%0.225CC..Hα-helixtrans-71.3-40.3169.9-63.8-177.8000112.4I49 L61 F84 L85 K90 V91 L92 L113 W116I49-L88 HydrophobicContact CD1-CD2 4.27Å; I49-L88 HydrophobicContact CG2-CD2 4.11Å; L61-L88 HydrophobicContact CD2-CD2 4.48Å; F84-L88 HydrophobicContact CD1-CD1 4.38Å; F84-L88 HydrophobicContact CE1-CD1 3.74Å; F84-L88 HydrophobicContact CE1-CD2 4.36Å; F84-L88 HydrophobicContact CE1-CG 3.92Å; F84-L88 HydrophobicContact CZ-CD2 4.38Å; F84-L88 HydrophobicContact CZ-CG 4.37Å; F84-L88 PolarHBondContact O-N 3.44Å; L85-L88 PolarHBondContact O-N 3.15Å; L85-L88 VanDerWaalsContact O-N 3.14Å; L88-K90 PolarHBondContact O-N 2.91Å; L88-V91 WeakPolarHBondContact O-CB 3.29Å; L88-V91 PolarHBondContact O-N 2.91Å; L88-L92 PolarHBondContact O-N 2.85Å; L88-L113 HydrophobicContact CD1-CD2 4.14Å; L88-L113 HydrophobicContact CD1-CG 4.48Å; L88-W116 HydrophobicContact CD1-CH2 4.39Å; L88-W116 HydrophobicContact CD1-CZ3 3.8Å
89I91.3Very high89.9Confident21 Ų2152 Ų5211%0.10825%0.245CC..Hα-helixtrans-58.5-36.4175.9-70157.3000110.9L85 V91 L92 S93 A130 M133 L134L85-I89 WeakPolarHBondContact O-CD1 3.39Å; L85-I89 VanDerWaalsContact O-CG1 3.29Å; L85-I89 WeakPolarHBondContact O-CG1 3.3Å; L85-I89 PolarHBondContact O-N 2.9Å; I89-V91 VanDerWaalsContact C-N 3.31Å; I89-V91 PolarHBondContact O-N 2.89Å; I89-L92 PolarHBondContact O-N 2.85Å; I89-S93 WeakPolarHBondContact O-CB 3.49Å; I89-S93 PolarHBondContact O-N 2.81Å; I89-A130 HydrophobicContact CD1-CB 4.35Å; I89-M133 HydrophobicContact CD1-CE 3.59Å; I89-M133 HydrophobicContact CG1-CE 3.91Å; I89-M133 HydrophobicContact CG2-CE 4.07Å; I89-L134 HydrophobicContact CG1-CD1 4.22Å; I89-L134 HydrophobicContact CG1-CD2 4.34Å; I89-L134 HydrophobicContact CG1-CG 4.47Å; I89-L134 HydrophobicContact CG2-CD2 4.39Å
90K91.9Very high89.7Confident66 Ų6659.8 Ų59.829%0.28728%0.282SS..Hα-helixtrans-66.3-28.8174-72.6164.9-170.5171.80113.7N86 E87 L88 Y96 L97N86-K90 WeakPolarHBondContact O-CD 3.49Å; N86-K90 VanDerWaalsContact O-CG 3.23Å; N86-K90 WeakPolarHBondContact O-CG 3.38Å; N86-K90 PolarHBondContact O-N 2.74Å; E87-K90 WeakPolarHBondContact OE1-CD 3.39Å; E87-K90 WeakPolarHBondContact OE1-CE 3.22Å; E87-K90 IonicContact OE1-NZ 2.61Å; E87-K90 PolarHBondContact OE1-NZ 3.02Å; L88-K90 PolarHBondContact O-N 2.91Å; K90-Y96 HydrophobicContact CB-CD2 4.41Å; K90-Y96 HydrophobicContact CB-CG 4.12Å; K90-Y96 HydrophobicContact CG-CD1 3.92Å; K90-Y96 HydrophobicContact CG-CD2 3.98Å; K90-Y96 HydrophobicContact CG-CE1 4.23Å; K90-Y96 HydrophobicContact CG-CE2 4.3Å; K90-Y96 HydrophobicContact CG-CG 3.78Å; K90-Y96 VanDerWaalsContact O-CB 3.29Å; K90-Y96 WeakPolarHBondContact O-CB 3.19Å; K90-L97 WeakPolarHBondContact O-CB 3.32Å; K90-L97 PolarHBondContact O-N 2.98Å
91V91.2Very high89.5Confident0 Ų060.9 Ų60.90%029%0.288CS..Hα-helixtrans-79.5-35.3177.8174.60000111I49 K50 E87 L88 I89 G98 T101 V105I49-V91 HydrophobicContact CG2-CG2 4.31Å; K50-V91 HydrophobicContact CG-CG2 3.63Å; E87-V91 WeakPolarHBondContact O-CG2 3.36Å; L88-V91 WeakPolarHBondContact O-CB 3.29Å; L88-V91 PolarHBondContact O-N 2.91Å; I89-V91 VanDerWaalsContact C-N 3.31Å; I89-V91 PolarHBondContact O-N 2.89Å; V91-G98 WeakPolarHBondContact O-CA 3.46Å; V91-T101 HydrophobicContact CG1-CG2 3.64Å; V91-T101 PolarHBondContact O-OG1 3.06Å; V91-V105 HydrophobicContact CG1-CG1 4.16Å
92L89.5Confident89.5Confident7 Ų759 Ų594%0.03728%0.284CS..Hα-helixtrans-82.2-37.1178.7-71.4173.9000113.7L88 I89 K106 C109 L113 L134 I139L88-L92 PolarHBondContact O-N 2.85Å; I89-L92 PolarHBondContact O-N 2.85Å; L92-K106 HydrophobicContact CD2-CB 4.08Å; L92-K106 HydrophobicContact CD2-CG 4.3Å; L92-K106 VanDerWaalsContact CD2-O 3.29Å; L92-K106 WeakPolarHBondContact CD2-O 3.41Å; L92-C109 HydrophobicContact CD1-CB 4.15Å; L92-C109 HydrophobicContact CD2-CB 3.66Å; L92-C109 HydrophobicContact CG-CB 3.95Å; L92-L113 HydrophobicContact CD1-CD1 3.63Å; L92-L134 HydrophobicContact CB-CD2 4.46Å; L92-L134 HydrophobicContact CD1-CD1 3.74Å; L92-I139 HydrophobicContact CB-CG2 4.01Å; L92-I139 WeakPolarHBondContact O-CG2 3.42Å
93S88.7Confident89.3Confident5 Ų559.2 Ų59.24%0.03530%0.295CS..  trans-80.4129-171.7-173.70000112.5I89 K95 Y96 G98I89-S93 WeakPolarHBondContact O-CB 3.49Å; I89-S93 PolarHBondContact O-N 2.81Å; S93-K95 PolarHBondContact O-N 2.84Å; S93-K95 VanDerWaalsContact O-N 3.11Å; S93-K95 PolarHBondContact OG-N 3.47Å; S93-Y96 PolarHBondContact O-N 2.65Å; S93-Y96 VanDerWaalsContact O-N 3.09Å; S93-G98 WeakPolarHBondContact O-CA 3.5Å; S93-G98 PolarHBondContact O-N 3.05Å
94P83.8Confident89.2Confident71 Ų7154.5 Ų54.546%0.46128%0.282SS..THydrogen-bonded Turntrans-55.5-25.6171.7-27.636.2000113.7Y96P94-Y96 PolarHBondContact O-N 3.12Å
95K85.7Confident89.1Confident151 Ų15154.2 Ų54.266%0.65728%0.281SS*.THydrogen-bonded Turntrans-63.7-7.6177.1-62.9168.9-179.9165.50113.8S93 E137S93-K95 PolarHBondContact O-N 2.84Å; S93-K95 VanDerWaalsContact O-N 3.11Å; S93-K95 PolarHBondContact OG-N 3.47Å; K95-E137 IonicContact NZ-OE2 3.61Å; K95-E137 PolarHBondContact NZ-OE2 3.33Å
96Y88.4Confident89Confident143 Ų14356.4 Ų56.456%0.56129%0.291SS*.THydrogen-bonded Turntrans-136.1-92.3-176.6-62.8-81.9000112.5K90 S93 P94K90-Y96 HydrophobicContact CB-CD2 4.41Å; K90-Y96 HydrophobicContact CB-CG 4.12Å; K90-Y96 HydrophobicContact CG-CD1 3.92Å; K90-Y96 HydrophobicContact CG-CD2 3.98Å; K90-Y96 HydrophobicContact CG-CE1 4.23Å; K90-Y96 HydrophobicContact CG-CE2 4.3Å; K90-Y96 HydrophobicContact CG-CG 3.78Å; K90-Y96 VanDerWaalsContact O-CB 3.29Å; K90-Y96 WeakPolarHBondContact O-CB 3.19Å; S93-Y96 PolarHBondContact O-N 2.65Å; S93-Y96 VanDerWaalsContact O-N 3.09Å; P94-Y96 PolarHBondContact O-N 3.12Å
97L85.3Confident88.9Confident47 Ų4756.3 Ų56.325%0.24629%0.29CS..THydrogen-bonded Turntrans-113.41.5-177.7-62.2170.9000112.7K50 K90 D99 Q100 T101K50-L97 HydrophobicContact CB-CD1 4.28Å; K50-L97 HydrophobicContact CD-CD1 4.29Å; K50-L97 HydrophobicContact CG-CD1 4.05Å; K90-L97 WeakPolarHBondContact O-CB 3.32Å; K90-L97 PolarHBondContact O-N 2.98Å; L97-D99 PolarHBondContact O-N 2.89Å; L97-D99 VanDerWaalsContact O-N 3.13Å; L97-Q100 PolarHBondContact O-N 3.45Å; L97-T101 WeakPolarHBondContact O-CB 3.48Å; L97-T101 PolarHBondContact O-N 3.4Å; L97-T101 PolarHBondContact O-OG1 3.22Å
98G81.4Confident88.8Confident1 Ų155.2 Ų55.21%0.0129%0.285CS..THydrogen-bonded Turntrans-56.6-30.7-176.900000114V91 S93 K106V91-G98 WeakPolarHBondContact O-CA 3.46Å; S93-G98 WeakPolarHBondContact O-CA 3.5Å; S93-G98 PolarHBondContact O-N 3.05Å; G98-K106 WeakPolarHBondContact O-CD 3.18Å; G98-K106 PolarHBondContact O-NZ 3.22Å
99D85Confident88.8Confident132 Ų13255.1 Ų55.171%0.70628%0.284SS*.THydrogen-bonded Turntrans-81.5-24.8179.4-62.3-10.9000113.1L97L97-D99 PolarHBondContact O-N 2.89Å; L97-D99 VanDerWaalsContact O-N 3.13Å
100Q87.7Confident88.8Confident163 Ų16354.3 Ų54.376%0.76228%0.281SS*.THydrogen-bonded Turntrans-92.2-22.5177.8-62.5179.430.300112.4L97L97-Q100 PolarHBondContact O-N 3.45Å
101T87.7Confident88.7Confident23 Ų2352 Ų5214%0.14127%0.271CS..SBendtrans-80.2132.8-177.7-55.90000110.2V91 L97 V105 K106V91-T101 HydrophobicContact CG1-CG2 3.64Å; V91-T101 PolarHBondContact O-OG1 3.06Å; L97-T101 WeakPolarHBondContact O-CB 3.48Å; L97-T101 PolarHBondContact O-N 3.4Å; L97-T101 PolarHBondContact O-OG1 3.22Å; T101-V105 HydrophobicContact CG2-CB 3.7Å; T101-V105 HydrophobicContact CG2-CG1 3.48Å; T101-V105 VanDerWaalsContact CG2-CG1 3.48Å; T101-K106 HydrophobicContact CG2-CG 3.78Å; T101-K106 WeakPolarHBondContact O-CE 3.49Å; T101-K106 PolarHBondContact O-NZ 2.89Å; T101-K106 VanDerWaalsContact O-NZ 3.09Å
102S90.5Very high88.7Confident35 Ų3552 Ų5225%0.24527%0.271CS..  trans-59.7153.3177.885.70000112.3E54 C104 V105 K106E54-S102 VanDerWaalsContact CD-OG 3.29Å; E54-S102 WeakPolarHBondContact OE1-CB 3.42Å; E54-S102 PolarHBondContact OE1-OG 3.46Å; S102-C104 PolarHBondContact O-N 3.42Å; S102-C104 PolarHBondContact OG-N 3.11Å; S102-V105 PolarHBondContact O-N 2.92Å; S102-V105 WeakPolarHBondContact OG-CG2 3.46Å; S102-V105 PolarHBondContact OG-N 3.09Å; S102-K106 WeakPolarHBondContact O-CE 3.49Å; S102-K106 PolarHBondContact O-N 3.11Å
103S88.7Confident88.8Confident80 Ų8051.8 Ų51.856%0.55927%0.27SS*.Hα-helixtrans-62.6-31.5176.9-60.10000112.5K106 N107S103-K106 PolarHBondContact O-N 3.33Å; S103-N107 WeakPolarHBondContact O-CB 2.95Å; S103-N107 PolarHBondContact O-N 3.03Å; S103-N107 PolarHBondContact O-ND2 3.27Å; S103-N107 PolarHBondContact O-OD1 3.05Å
104C90.4Very high88.9Confident64 Ų6453.8 Ų53.843%0.43228%0.279SS..Hα-helixtrans-65.6-47.9176.7-164.20000111.5E54 L58 S102 K106 N107 K108E54-C104 WeakPolarHBondContact OE1-CB 3.47Å; L58-C104 HydrophobicContact CD1-CB 4.37Å; L58-C104 HydrophobicContact CD2-CB 4.4Å; S102-C104 PolarHBondContact O-N 3.42Å; S102-C104 PolarHBondContact OG-N 3.11Å; C104-K106 PolarHBondContact O-N 2.89Å; C104-N107 PolarHBondContact O-N 3.47Å; C104-K108 WeakPolarHBondContact O-CB 3.42Å; C104-K108 PolarHBondContact O-N 3.39Å
105V91.7Very high89.2Confident4 Ų451.1 Ų51.12%0.02426%0.26CS..Hα-helixtrans-62.3-42.3176.8174.10000110.9E54 A57 L58 L61 V91 T101 S102 K108 C109E54-V105 HydrophobicContact CG-CG2 4.27Å; A57-V105 HydrophobicContact CB-CG1 4.15Å; A57-V105 HydrophobicContact CB-CG2 3.81Å; L58-V105 HydrophobicContact CD2-CB 4.48Å; L58-V105 HydrophobicContact CD2-CG2 3.81Å; L58-V105 HydrophobicContact CG-CG2 3.81Å; L61-V105 HydrophobicContact CD1-CG1 3.91Å; V91-V105 HydrophobicContact CG1-CG1 4.16Å; T101-V105 HydrophobicContact CG2-CB 3.7Å; T101-V105 HydrophobicContact CG2-CG1 3.48Å; T101-V105 VanDerWaalsContact CG2-CG1 3.48Å; S102-V105 PolarHBondContact O-N 2.92Å; S102-V105 WeakPolarHBondContact OG-CG2 3.46Å; S102-V105 PolarHBondContact OG-N 3.09Å; V105-K108 PolarHBondContact O-N 3.2Å; V105-C109 WeakPolarHBondContact O-CB 3.22Å; V105-C109 PolarHBondContact O-N 3.1Å; V105-C109 PolarHBondContact O-SG 3.03Å
106K91.4Very high89.4Confident47 Ų4744.1 Ų44.120%0.20423%0.23CC..Hα-helixtrans-62.3-47.6175.4-73.3-179.2-67.3-158.70112.4L92 G98 T101 S102 S103 C104 K108 C109 A110L92-K106 HydrophobicContact CD2-CB 4.08Å; L92-K106 HydrophobicContact CD2-CG 4.3Å; L92-K106 VanDerWaalsContact CD2-O 3.29Å; L92-K106 WeakPolarHBondContact CD2-O 3.41Å; G98-K106 WeakPolarHBondContact O-CD 3.18Å; G98-K106 PolarHBondContact O-NZ 3.22Å; T101-K106 HydrophobicContact CG2-CG 3.78Å; T101-K106 WeakPolarHBondContact O-CE 3.49Å; T101-K106 PolarHBondContact O-NZ 2.89Å; T101-K106 VanDerWaalsContact O-NZ 3.09Å; S102-K106 WeakPolarHBondContact O-CE 3.49Å; S102-K106 PolarHBondContact O-N 3.11Å; S103-K106 PolarHBondContact O-N 3.33Å; C104-K106 PolarHBondContact O-N 2.89Å; K106-K108 VanDerWaalsContact C-N 3.34Å; K106-K108 PolarHBondContact O-N 2.72Å; K106-C109 WeakPolarHBondContact O-CB 3.32Å; K106-C109 PolarHBondContact O-N 3.27Å; K106-A110 PolarHBondContact O-N 3.09Å
107N90.8Very high89.5Confident71 Ų7138.9 Ų38.938%0.3821%0.211SC..Hα-helixtrans-60.6-43.2177.3-70-9.9000111.2S103 C104 A110 Q111 Q144S103-N107 WeakPolarHBondContact O-CB 2.95Å; S103-N107 PolarHBondContact O-N 3.03Å; S103-N107 PolarHBondContact O-ND2 3.27Å; S103-N107 PolarHBondContact O-OD1 3.05Å; C104-N107 PolarHBondContact O-N 3.47Å; N107-A110 PolarHBondContact O-N 3.39Å; N107-Q111 WeakPolarHBondContact O-CB 3.48Å; N107-Q111 PolarHBondContact O-N 3.5Å; N107-Q144 PolarHBondContact OD1-NE2 2.95Å
108K91Very high89.5Confident25 Ų2542.1 Ų42.111%0.10922%0.22CC..Hα-helixtrans-65.8-41.4177.9-172.463.6-176.41750112.3L58 L61 E65 C104 V105 K106 A110 Q111 L112L58-K108 HydrophobicContact CD2-CB 4.26Å; L61-K108 HydrophobicContact CB-CG 3.94Å; L61-K108 HydrophobicContact CD1-CB 3.99Å; L61-K108 HydrophobicContact CD1-CG 3.99Å; E65-K108 WeakPolarHBondContact OE2-CE 3.44Å; E65-K108 IonicContact OE2-NZ 2.68Å; E65-K108 PolarHBondContact OE2-NZ 2.87Å; C104-K108 WeakPolarHBondContact O-CB 3.42Å; C104-K108 PolarHBondContact O-N 3.39Å; V105-K108 PolarHBondContact O-N 3.2Å; K106-K108 VanDerWaalsContact C-N 3.34Å; K106-K108 PolarHBondContact O-N 2.72Å; K108-A110 PolarHBondContact O-N 2.95Å; K108-Q111 VanDerWaalsContact CD-OE1 3.31Å; K108-Q111 PolarHBondContact O-N 3.47Å; K108-L112 WeakPolarHBondContact O-CG 3.43Å; K108-L112 PolarHBondContact O-N 3.32Å
109C92.3Very high89.7Confident1 Ų145.7 Ų45.71%0.00724%0.239CC..Hα-helixtrans-58-45171.6-81.90000112.4L61 L92 V105 K106 L112 L113L61-C109 VanDerWaalsContact CD1-SG 3.59Å; L61-C109 VanDerWaalsContact CD2-SG 3.54Å; L92-C109 HydrophobicContact CD1-CB 4.15Å; L92-C109 HydrophobicContact CD2-CB 3.66Å; L92-C109 HydrophobicContact CG-CB 3.95Å; V105-C109 WeakPolarHBondContact O-CB 3.22Å; V105-C109 PolarHBondContact O-N 3.1Å; V105-C109 PolarHBondContact O-SG 3.03Å; K106-C109 WeakPolarHBondContact O-CB 3.32Å; K106-C109 PolarHBondContact O-N 3.27Å; C109-L112 PolarHBondContact O-N 2.88Å; C109-L113 PolarHBondContact O-N 2.87Å; C109-L113 VanDerWaalsContact O-N 3.1Å
110A90.9Very high89.7Confident4 Ų440.9 Ų40.93%0.03321%0.211CC..Hα-helixtrans-65-42.5177.700000112K106 N107 K108 L112 L113 H114 I140K106-A110 PolarHBondContact O-N 3.09Å; N107-A110 PolarHBondContact O-N 3.39Å; K108-A110 PolarHBondContact O-N 2.95Å; A110-L112 PolarHBondContact O-N 2.98Å; A110-L113 PolarHBondContact O-N 2.97Å; A110-H114 WeakPolarHBondContact O-CB 3.37Å; A110-H114 PolarHBondContact O-N 3.39Å; A110-I140 HydrophobicContact CB-CD1 4.09Å; A110-I140 HydrophobicContact CB-CG1 4.05Å; A110-I140 HydrophobicContact CB-CG2 4.42Å
111Q90.7Very high89.1Confident18 Ų1836 Ų368%0.08420%0.195CC..Hα-helixtrans-58.6-45.6174.7-168.4-159.813.800111.7N107 K108 H114 N115 T148N107-Q111 WeakPolarHBondContact O-CB 3.48Å; N107-Q111 PolarHBondContact O-N 3.5Å; K108-Q111 VanDerWaalsContact CD-OE1 3.31Å; K108-Q111 PolarHBondContact O-N 3.47Å; Q111-H114 PolarHBondContact O-N 2.86Å; Q111-N115 VanDerWaalsContact O-CG 3.24Å; Q111-N115 PolarHBondContact O-N 2.92Å; Q111-N115 PolarHBondContact O-OD1 2.98Å; Q111-T148 WeakPolarHBondContact CG-OG1 3.35Å; Q111-T148 PolarHBondContact NE2-OG1 3.07Å
112L91.8Very high88.5Confident1 Ų140.1 Ų40.11%0.00522%0.222CC..Hα-helixtrans-65.4-42.8179.4-68.9179.3000112.3L61 E65 K108 C109 A110 H114 N115 W116L61-L112 HydrophobicContact CB-CD1 4.09Å; L61-L112 HydrophobicContact CD2-CD1 4Å; L61-L112 WeakPolarHBondContact O-CD1 3.34Å; E65-L112 HydrophobicContact CB-CD2 3.68Å; E65-L112 HydrophobicContact CG-CD2 3.54Å; K108-L112 WeakPolarHBondContact O-CG 3.43Å; K108-L112 PolarHBondContact O-N 3.32Å; C109-L112 PolarHBondContact O-N 2.88Å; A110-L112 PolarHBondContact O-N 2.98Å; L112-H114 VanDerWaalsContact C-N 3.33Å; L112-H114 PolarHBondContact O-N 3.08Å; L112-N115 PolarHBondContact O-N 3.34Å; L112-W116 HydrophobicContact CB-CH2 4.08Å; L112-W116 HydrophobicContact CB-CZ2 4.04Å; L112-W116 HydrophobicContact CB-CZ3 4.37Å; L112-W116 HydrophobicContact CD1-CH2 4.34Å; L112-W116 HydrophobicContact CD1-CZ2 4.28Å; L112-W116 WeakPolarHBondContact O-CB 3.43Å; L112-W116 PolarHBondContact O-N 3.3Å
113L90.9Very high87.8Confident2 Ų244 Ų441%0.0124%0.24CC..Hα-helixtrans-62.9-39.7174.5-71.9171.7000111.9L85 L88 L92 C109 A110 W116 Q117 Y131 L134L85-L113 HydrophobicContact CD2-CD2 4.05Å; L88-L113 HydrophobicContact CD1-CD2 4.14Å; L88-L113 HydrophobicContact CD1-CG 4.48Å; L92-L113 HydrophobicContact CD1-CD1 3.63Å; C109-L113 PolarHBondContact O-N 2.87Å; C109-L113 VanDerWaalsContact O-N 3.1Å; A110-L113 PolarHBondContact O-N 2.97Å; L113-W116 HydrophobicContact CD2-CE3 4.17Å; L113-W116 HydrophobicContact CD2-CZ3 4.36Å; L113-W116 PolarHBondContact O-N 3.38Å; L113-Q117 WeakPolarHBondContact O-CG 3.28Å; L113-Q117 PolarHBondContact O-N 3.33Å; L113-Y131 HydrophobicContact CB-CD2 4.01Å; L113-L134 HydrophobicContact CD1-CD1 3.6Å
114H89.9Confident87.5Confident46 Ų4641.1 Ų41.121%0.21322%0.218CC..Hα-helixtrans-61.5-45.3174.6-179.9-96.8000112.1A110 Q111 L112 Q117 R118 Y131A110-H114 WeakPolarHBondContact O-CB 3.37Å; A110-H114 PolarHBondContact O-N 3.39Å; Q111-H114 PolarHBondContact O-N 2.86Å; L112-H114 VanDerWaalsContact C-N 3.33Å; L112-H114 PolarHBondContact O-N 3.08Å; H114-Q117 PolarHBondContact CD2-NE2 2.85Å; H114-Q117 WeakPolarHBondContact O-CG 3.35Å; H114-R118 PolarHBondContact O-N 3.11Å; H114-Y131 HydrophobicContact CB-CE2 3.85Å; H114-Y131 AromaticContact CD2-CZ 3.89Å
115N90.4Very high87.4Confident15 Ų1542.2 Ų42.28%0.0822%0.224CC..Hα-helixtrans-66.6-43.5178.2-67.3-6.7000111.2Q111 L112 Q117 R118 D119Q111-N115 VanDerWaalsContact O-CG 3.24Å; Q111-N115 PolarHBondContact O-N 2.92Å; Q111-N115 PolarHBondContact O-OD1 2.98Å; L112-N115 PolarHBondContact O-N 3.34Å; N115-Q117 PolarHBondContact O-N 3.09Å; N115-R118 WeakPolarHBondContact O-CB 3.23Å; N115-R118 PolarHBondContact O-N 3.38Å; N115-R118 VanDerWaalsContact O-N 3.1Å; N115-D119 WeakPolarHBondContact O-CB 3.49Å; N115-D119 PolarHBondContact O-N 2.89Å
116W91Very high87.4Confident4 Ų445 Ų452%0.01524%0.236CC..Hα-helixtrans-67.8-34.3179.4-64.1-22.4000113.8L64 S68 L79 L88 L112 L113 R118 F120 F127L64-W116 HydrophobicContact CD2-CH2 3.66Å; L64-W116 HydrophobicContact CD2-CZ2 4.25Å; L64-W116 HydrophobicContact CG-CH2 3.93Å; L64-W116 HydrophobicContact CG-CZ2 4.01Å; S68-W116 PolarHBondContact OG-NE1 3.41Å; S68-W116 VanDerWaalsContact OG-NE1 3.09Å; L79-W116 HydrophobicContact CD1-CH2 4.13Å; L79-W116 HydrophobicContact CD1-CZ3 4.32Å; L79-W116 HydrophobicContact CD2-CD2 4.33Å; L79-W116 HydrophobicContact CD2-CH2 4.36Å; L79-W116 HydrophobicContact CD2-CZ2 4.12Å; L88-W116 HydrophobicContact CD1-CH2 4.39Å; L88-W116 HydrophobicContact CD1-CZ3 3.8Å; L112-W116 HydrophobicContact CB-CH2 4.08Å; L112-W116 HydrophobicContact CB-CZ2 4.04Å; L112-W116 HydrophobicContact CB-CZ3 4.37Å; L112-W116 HydrophobicContact CD1-CH2 4.34Å; L112-W116 HydrophobicContact CD1-CZ2 4.28Å; L112-W116 WeakPolarHBondContact O-CB 3.43Å; L112-W116 PolarHBondContact O-N 3.3Å; L113-W116 HydrophobicContact CD2-CE3 4.17Å; L113-W116 HydrophobicContact CD2-CZ3 4.36Å; L113-W116 PolarHBondContact O-N 3.38Å; W116-R118 VanDerWaalsContact C-N 3.25Å; W116-R118 PolarHBondContact O-N 2.91Å; W116-F120 HydrophobicContact CB-CD2 3.89Å; W116-F120 HydrophobicContact CB-CE2 4.43Å; W116-F120 AromaticContact CD1-CD2 3.85Å; W116-F120 AromaticContact CD1-CE2 3.48Å; W116-F120 VanDerWaalsContact CD1-CE2 3.48Å; W116-F120 HydrophobicContact CG-CD2 4.02Å; W116-F120 HydrophobicContact CG-CE2 4.08Å; W116-F120 WeakPolarHBondContact O-CA 3.34Å; W116-F120 WeakPolarHBondContact O-CB 3.35Å; W116-F120 PolarHBondContact O-N 2.95Å; W116-F127 HydrophobicContact CB-CD1 3.86Å; W116-F127 HydrophobicContact CB-CE1 4.1Å; W116-F127 HydrophobicContact CB-CG 4.17Å; W116-F127 HydrophobicContact CD2-CE1 4.15Å; W116-F127 HydrophobicContact CE3-CD1 4.04Å; W116-F127 AromaticContact CE3-CE1 3.69Å; W116-F127 HydrophobicContact CE3-CE1 3.69Å; W116-F127 HydrophobicContact CG-CE1 4.36Å; W116-F127 HydrophobicContact CZ3-CE1 4.48Å
117Q89.1Confident87.4Confident34 Ų3442.7 Ų42.716%0.15923%0.226CC..Hα-helixtrans-68-26.5171.967.2155.5800112.6L113 H114 N115 S121 A128 Y131L113-Q117 WeakPolarHBondContact O-CG 3.28Å; L113-Q117 PolarHBondContact O-N 3.33Å; H114-Q117 PolarHBondContact CD2-NE2 2.85Å; H114-Q117 WeakPolarHBondContact O-CG 3.35Å; N115-Q117 PolarHBondContact O-N 3.09Å; Q117-S121 WeakPolarHBondContact O-CB 3.3Å; Q117-S121 PolarHBondContact O-N 2.81Å; Q117-S121 PolarHBondContact O-OG 3.08Å; Q117-A128 HydrophobicContact CB-CB 4.39Å; Q117-Y131 HydrophobicContact CG-CD1 4.44Å; Q117-Y131 HydrophobicContact CG-CG 4.27Å; Q117-Y131 VanDerWaalsContact NE2-CE1 3.27Å
118R87Confident87.3Confident114 Ų11440.2 Ų40.243%0.4322%0.216SC..Hα-helixtrans-76.8-50.6176.1179.917869.9-173.2-2.4110.2H114 N115 W116 D149H114-R118 PolarHBondContact O-N 3.11Å; N115-R118 WeakPolarHBondContact O-CB 3.23Å; N115-R118 PolarHBondContact O-N 3.38Å; N115-R118 VanDerWaalsContact O-N 3.1Å; W116-R118 VanDerWaalsContact C-N 3.25Å; W116-R118 PolarHBondContact O-N 2.91Å; R118-D149 IonicContact CZ-OD1 2.6Å; R118-D149 IonicContact NH1-OD1 2.62Å; R118-D149 PolarHBondContact NH1-OD1 2.71Å; R118-D149 IonicContact NH1-OD2 2.8Å; R118-D149 PolarHBondContact NH1-OD2 3.45Å; R118-D149 VanDerWaalsContact NH1-OD2 3.13Å; R118-D149 IonicContact NH2-OD1 3.64Å; R118-D149 PolarHBondContact NH2-OD1 3.32Å
119D84.8Confident87.3Confident77 Ų7744.8 Ų44.841%0.41224%0.237SC..Hα-helixtrans-83.8-31.8-168.5-55.1-8.9000112N115N115-D119 WeakPolarHBondContact O-CB 3.49Å; N115-D119 PolarHBondContact O-N 2.89Å
120F85Confident87.3Confident31 Ų3144.9 Ų44.914%0.13624%0.238CC..SBendtrans-112.84.8-177.4-54.1-54.6000115.3I76 W116 P122 N123 E124 F127I76-F120 HydrophobicContact CD1-CD1 4.32Å; I76-F120 HydrophobicContact CD1-CE1 3.61Å; I76-F120 HydrophobicContact CD1-CZ 3.92Å; I76-F120 HydrophobicContact CG1-CE1 4.22Å; I76-F120 HydrophobicContact CG1-CZ 4.15Å; I76-F120 HydrophobicContact CG2-CD1 3.96Å; I76-F120 HydrophobicContact CG2-CD2 4.24Å; I76-F120 HydrophobicContact CG2-CE1 4.18Å; I76-F120 HydrophobicContact CG2-CE2 4.44Å; I76-F120 HydrophobicContact CG2-CG 4.01Å; I76-F120 HydrophobicContact CG2-CZ 4.42Å; W116-F120 HydrophobicContact CB-CD2 3.89Å; W116-F120 HydrophobicContact CB-CE2 4.43Å; W116-F120 AromaticContact CD1-CD2 3.85Å; W116-F120 AromaticContact CD1-CE2 3.48Å; W116-F120 VanDerWaalsContact CD1-CE2 3.48Å; W116-F120 HydrophobicContact CG-CD2 4.02Å; W116-F120 HydrophobicContact CG-CE2 4.08Å; W116-F120 WeakPolarHBondContact O-CA 3.34Å; W116-F120 WeakPolarHBondContact O-CB 3.35Å; W116-F120 PolarHBondContact O-N 2.95Å; F120-P122 VanDerWaalsContact C-N 3.33Å; F120-P122 VanDerWaalsContact O-N 3.17Å; F120-N123 PolarHBondContact O-N 2.97Å; F120-E124 PolarHBondContact O-N 2.87Å; F120-E124 VanDerWaalsContact O-N 3.1Å; F120-F127 HydrophobicContact CB-CD2 4.03Å; F120-F127 HydrophobicContact CB-CE2 4.08Å; F120-F127 HydrophobicContact CD2-CE2 4.21Å; F120-F127 HydrophobicContact CG-CE2 4.48Å
121S75.1Confident87.2Confident59 Ų5945.3 Ų45.341%0.41324%0.239SC..THydrogen-bonded Turntrans-39.2-49.3173.6-113.90000115.4Q117 N123Q117-S121 WeakPolarHBondContact O-CB 3.3Å; Q117-S121 PolarHBondContact O-N 2.81Å; Q117-S121 PolarHBondContact O-OG 3.08Å; S121-N123 VanDerWaalsContact C-N 3.29Å; S121-N123 PolarHBondContact O-N 2.83Å
122P75.8Confident87.1Confident110 Ų11048.3 Ų48.371%0.71426%0.255SS*.THydrogen-bonded Turntrans-71.8-18.9-176.627.2-35.3000114.4F120F120-P122 VanDerWaalsContact C-N 3.33Å; F120-P122 VanDerWaalsContact O-N 3.17Å
123N75.1Confident87Confident117 Ų11751.3 Ų51.363%0.62627%0.27SS*.THydrogen-bonded Turntrans-103.2-39.9-171.9-7022000112.8F120 S121F120-N123 PolarHBondContact O-N 2.97Å; S121-N123 VanDerWaalsContact C-N 3.29Å; S121-N123 PolarHBondContact O-N 2.83Å
124E83.4Confident87Confident20 Ų2051.2 Ų51.29%0.09327%0.27CS..  trans-137.190.5-174.8-79-71.7-17600110.5S77 F120 K126 F127S77-E124 WeakPolarHBondContact CA-OE1 3.46Å; S77-E124 WeakPolarHBondContact CB-OE1 3.34Å; S77-E124 PolarHBondContact OG-OE1 3.46Å; F120-E124 PolarHBondContact O-N 2.87Å; F120-E124 VanDerWaalsContact O-N 3.1Å; E124-K126 PolarHBondContact O-N 3.29Å; E124-K126 IonicContact OE1-NZ 3.74Å; E124-K126 IonicContact OE2-NZ 2.78Å; E124-K126 PolarHBondContact OE2-NZ 2.81Å; E124-F127 HydrophobicContact CB-CD2 3.75Å; E124-F127 HydrophobicContact CB-CE2 3.79Å; E124-F127 HydrophobicContact CG-CE2 4.49Å; E124-F127 WeakPolarHBondContact O-CD2 3.33Å; E124-F127 PolarHBondContact O-N 2.81Å
125P87.6Confident86.9Confident87 Ų8752 Ų5257%0.56528%0.278SS*.THydrogen-bonded Turntrans-64.7-14-17526.4-35.5000113.7F127 A128 E129P125-F127 PolarHBondContact O-N 2.99Å; P125-A128 PolarHBondContact O-N 3.4Å; P125-A128 VanDerWaalsContact O-N 3.13Å; P125-E129 PolarHBondContact O-N 3.45Å
126K91.5Very high86.8Confident61 Ų6160.3 Ų60.327%0.26531%0.308SS..Hα-helixtrans-60.8-30.7178.8-53.2-177.2-166.795.70112.6G80 F82 L85 E124 E129 A130G80-K126 WeakPolarHBondContact O-CB 3.47Å; G80-K126 VanDerWaalsContact O-CD 3.24Å; G80-K126 WeakPolarHBondContact O-CD 3.49Å; F82-K126 HydrophobicContact CD2-CD 4.3Å; F82-K126 HydrophobicContact CE2-CB 4.31Å; F82-K126 HydrophobicContact CE2-CD 4.16Å; F82-K126 HydrophobicContact CE2-CG 4.1Å; F82-K126 HydrophobicContact CZ-CB 4.17Å; F82-K126 HydrophobicContact CZ-CG 4.4Å; L85-K126 HydrophobicContact CD1-CB 4.09Å; E124-K126 PolarHBondContact O-N 3.29Å; E124-K126 IonicContact OE1-NZ 3.74Å; E124-K126 IonicContact OE2-NZ 2.78Å; E124-K126 PolarHBondContact OE2-NZ 2.81Å; K126-E129 PolarHBondContact O-N 3.27Å; K126-A130 WeakPolarHBondContact O-CB 3.48Å; K126-A130 PolarHBondContact O-N 2.78Å
127F91Very high86.6Confident0 Ų065 Ų650%033%0.33CS..Hα-helixtrans-63.1-48.2173.3-70.1-68.1000111.3I76 L79 L85 W116 F120 E124 P125 A130 Y131I76-F127 HydrophobicContact CG2-CE2 4.4Å; L79-F127 HydrophobicContact CB-CZ 4.27Å; L79-F127 HydrophobicContact CD2-CE1 4.33Å; L79-F127 HydrophobicContact CD2-CZ 4Å; L79-F127 HydrophobicContact CG-CE1 4.05Å; L79-F127 HydrophobicContact CG-CZ 3.86Å; L85-F127 HydrophobicContact CD2-CD1 3.83Å; L85-F127 HydrophobicContact CD2-CE1 3.92Å; W116-F127 HydrophobicContact CB-CD1 3.86Å; W116-F127 HydrophobicContact CB-CE1 4.1Å; W116-F127 HydrophobicContact CB-CG 4.17Å; W116-F127 HydrophobicContact CD2-CE1 4.15Å; W116-F127 HydrophobicContact CE3-CD1 4.04Å; W116-F127 AromaticContact CE3-CE1 3.69Å; W116-F127 HydrophobicContact CE3-CE1 3.69Å; W116-F127 HydrophobicContact CG-CE1 4.36Å; W116-F127 HydrophobicContact CZ3-CE1 4.48Å; F120-F127 HydrophobicContact CB-CD2 4.03Å; F120-F127 HydrophobicContact CB-CE2 4.08Å; F120-F127 HydrophobicContact CD2-CE2 4.21Å; F120-F127 HydrophobicContact CG-CE2 4.48Å; E124-F127 HydrophobicContact CB-CD2 3.75Å; E124-F127 HydrophobicContact CB-CE2 3.79Å; E124-F127 HydrophobicContact CG-CE2 4.49Å; E124-F127 WeakPolarHBondContact O-CD2 3.33Å; E124-F127 PolarHBondContact O-N 2.81Å; P125-F127 PolarHBondContact O-N 2.99Å; F127-A130 PolarHBondContact O-N 2.71Å; F127-Y131 WeakPolarHBondContact O-CB 3.44Å; F127-Y131 PolarHBondContact O-N 2.83Å
128A89.1Confident86.2Confident19 Ų1965.7 Ų65.716%0.15735%0.346CS..Hα-helixtrans-65.8-37.4177.200000111.6Q117 P125 N132Q117-A128 HydrophobicContact CB-CB 4.39Å; P125-A128 PolarHBondContact O-N 3.4Å; P125-A128 VanDerWaalsContact O-N 3.13Å; A128-N132 VanDerWaalsContact O-CB 3.23Å; A128-N132 WeakPolarHBondContact O-CB 3.33Å; A128-N132 VanDerWaalsContact O-CG 3.29Å; A128-N132 PolarHBondContact O-N 3.17Å; A128-N132 PolarHBondContact O-ND2 2.74Å
129E91.1Very high85.8Confident121 Ų12162 Ų6257%0.56534%0.335SS*.Hα-helixtrans-62.6-48.8175.5-169.8178.716600112F82 P125 K126 M133F82-E129 HydrophobicContact CZ-CB 4.45Å; F82-E129 HydrophobicContact CZ-CG 4.37Å; F82-E129 WeakPolarHBondContact CZ-OE2 3.45Å; P125-E129 PolarHBondContact O-N 3.45Å; K126-E129 PolarHBondContact O-N 3.27Å; E129-M133 WeakPolarHBondContact O-CB 3.21Å; E129-M133 PolarHBondContact O-N 2.96Å
130A91.4Very high85.5Confident3 Ų358.6 Ų58.63%0.02532%0.316CS..Hα-helixtrans-63.9-41.4177.800000112.5L85 I89 K126 F127 M133 L134L85-A130 HydrophobicContact CB-CB 4.39Å; L85-A130 HydrophobicContact CD1-CB 3.99Å; I89-A130 HydrophobicContact CD1-CB 4.35Å; K126-A130 WeakPolarHBondContact O-CB 3.48Å; K126-A130 PolarHBondContact O-N 2.78Å; F127-A130 PolarHBondContact O-N 2.71Å; A130-M133 PolarHBondContact O-N 2.68Å; A130-L134 WeakPolarHBondContact O-CG 3.38Å; A130-L134 PolarHBondContact O-N 2.83Å; A130-L134 VanDerWaalsContact O-N 3.1Å
131Y89.8Confident84.9Confident13 Ų1360.8 Ų60.85%0.05133%0.332CS..Hα-helixtrans-64.8-50.5176.6-176.8-90.7000111.9L113 H114 Q117 F127 M133 L134 V135 I140 I145L113-Y131 HydrophobicContact CB-CD2 4.01Å; H114-Y131 HydrophobicContact CB-CE2 3.85Å; H114-Y131 AromaticContact CD2-CZ 3.89Å; Q117-Y131 HydrophobicContact CG-CD1 4.44Å; Q117-Y131 HydrophobicContact CG-CG 4.27Å; Q117-Y131 VanDerWaalsContact NE2-CE1 3.27Å; F127-Y131 WeakPolarHBondContact O-CB 3.44Å; F127-Y131 PolarHBondContact O-N 2.83Å; Y131-M133 PolarHBondContact O-N 3.04Å; Y131-L134 PolarHBondContact O-N 2.86Å; Y131-V135 HydrophobicContact CD1-CG2 3.91Å; Y131-V135 HydrophobicContact CE1-CG2 3.44Å; Y131-V135 VanDerWaalsContact CE1-CG2 3.44Å; Y131-V135 HydrophobicContact CE2-CG2 4.46Å; Y131-V135 WeakPolarHBondContact O-CG2 3.3Å; Y131-V135 PolarHBondContact O-N 3.07Å; Y131-I140 HydrophobicContact CD2-CD1 3.89Å; Y131-I140 HydrophobicContact CE2-CD1 3.8Å; Y131-I140 HydrophobicContact CE2-CG2 4.19Å; Y131-I145 WeakPolarHBondContact OH-CD1 3.47Å
132N89.4Confident84.1Confident80 Ų8061.1 Ų61.143%0.42834%0.339SS..Hα-helixtrans-63.1-30.8179-75.6-54.9000112.6A128 R136A128-N132 VanDerWaalsContact O-CB 3.23Å; A128-N132 WeakPolarHBondContact O-CB 3.33Å; A128-N132 VanDerWaalsContact O-CG 3.29Å; A128-N132 PolarHBondContact O-N 3.17Å; A128-N132 PolarHBondContact O-ND2 2.74Å; N132-R136 VanDerWaalsContact O-CB 3.27Å; N132-R136 WeakPolarHBondContact O-CB 3.06Å; N132-R136 PolarHBondContact O-N 2.94Å
133M89.4Confident82.8Confident65 Ų6560.1 Ų60.132%0.3233%0.334SS..Hα-helixtrans-64.4-47.3170.1-177.9-161.167.800111.6I89 E129 A130 Y131 V135 R136 E137I89-M133 HydrophobicContact CD1-CE 3.59Å; I89-M133 HydrophobicContact CG1-CE 3.91Å; I89-M133 HydrophobicContact CG2-CE 4.07Å; E129-M133 WeakPolarHBondContact O-CB 3.21Å; E129-M133 PolarHBondContact O-N 2.96Å; A130-M133 PolarHBondContact O-N 2.68Å; Y131-M133 PolarHBondContact O-N 3.04Å; M133-V135 PolarHBondContact O-N 3.35Å; M133-R136 PolarHBondContact O-N 2.85Å; M133-E137 WeakPolarHBondContact O-CG 3.36Å; M133-E137 PolarHBondContact O-N 3.15Å
134L89.2Confident81.9Confident0 Ų057.1 Ų57.10%032%0.316CS..Hα-helixtrans-66.9-34.1-179.7-70.9166.8000113.1I89 L92 L113 A130 Y131 G138 I139 I140I89-L134 HydrophobicContact CG1-CD1 4.22Å; I89-L134 HydrophobicContact CG1-CD2 4.34Å; I89-L134 HydrophobicContact CG1-CG 4.47Å; I89-L134 HydrophobicContact CG2-CD2 4.39Å; L92-L134 HydrophobicContact CB-CD2 4.46Å; L92-L134 HydrophobicContact CD1-CD1 3.74Å; L113-L134 HydrophobicContact CD1-CD1 3.6Å; A130-L134 WeakPolarHBondContact O-CG 3.38Å; A130-L134 PolarHBondContact O-N 2.83Å; A130-L134 VanDerWaalsContact O-N 3.1Å; Y131-L134 PolarHBondContact O-N 2.86Å; L134-G138 PolarHBondContact O-N 2.86Å; L134-I139 HydrophobicContact CD2-CB 4.3Å; L134-I139 HydrophobicContact CD2-CD1 3.78Å; L134-I139 HydrophobicContact CD2-CG2 4.25Å; L134-I139 PolarHBondContact O-N 3.27Å; L134-I140 HydrophobicContact CB-CD1 3.74Å; L134-I140 HydrophobicContact CB-CG1 4.02Å; L134-I140 HydrophobicContact CD1-CD1 4.02Å; L134-I140 PolarHBondContact O-N 3.36Å
135V88.5Confident80.4Confident62 Ų6258.7 Ų58.738%0.37633%0.325SS..Hα-helixtrans-66.7-42.6170.7173.50000110.9Y131 M133 E137 G138 I140Y131-V135 HydrophobicContact CD1-CG2 3.91Å; Y131-V135 HydrophobicContact CE1-CG2 3.44Å; Y131-V135 VanDerWaalsContact CE1-CG2 3.44Å; Y131-V135 HydrophobicContact CE2-CG2 4.46Å; Y131-V135 WeakPolarHBondContact O-CG2 3.3Å; Y131-V135 PolarHBondContact O-N 3.07Å; M133-V135 PolarHBondContact O-N 3.35Å; V135-E137 PolarHBondContact O-N 2.91Å; V135-G138 PolarHBondContact O-N 2.9Å; V135-I140 HydrophobicContact CG2-CB 4.1Å; V135-I140 HydrophobicContact CG2-CG2 4.27Å
136R89.4Confident78.4Confident189 Ų18960.5 Ų60.571%0.71333%0.334SS*.Hα-helixtrans-65.2-35.5178.5-168.4-172.2-52.6124.97.5113.3N132 M133 G138N132-R136 VanDerWaalsContact O-CB 3.27Å; N132-R136 WeakPolarHBondContact O-CB 3.06Å; N132-R136 PolarHBondContact O-N 2.94Å; M133-R136 PolarHBondContact O-N 2.85Å; R136-G138 PolarHBondContact O-N 3.23Å
137E85.9Confident76Confident104 Ų10461.8 Ų61.849%0.48635%0.351SS..THydrogen-bonded Turntrans-75.5-1.8173.4-66.5-82.5118.900112.9K95 M133 V135 I139K95-E137 IonicContact NZ-OE2 3.61Å; K95-E137 PolarHBondContact NZ-OE2 3.33Å; M133-E137 WeakPolarHBondContact O-CG 3.36Å; M133-E137 PolarHBondContact O-N 3.15Å; V135-E137 PolarHBondContact O-N 2.91Å; E137-I139 HydrophobicContact CB-CD1 3.75Å; E137-I139 HydrophobicContact CB-CG1 3.99Å; E137-I139 HydrophobicContact CG-CD1 4.47Å; E137-I139 PolarHBondContact O-N 2.84Å
138G80.9Confident73.3Confident48 Ų4863.4 Ų63.450%0.49536%0.361SS..THydrogen-bonded Turntrans72.49.7-178.300000114.9L134 V135 R136L134-G138 PolarHBondContact O-N 2.86Å; V135-G138 PolarHBondContact O-N 2.9Å; R136-G138 PolarHBondContact O-N 3.23Å
139I79.3Confident70.7Confident36 Ų3669.1 Ų69.119%0.18539%0.388CS..SBendtrans-74.7-39.1-177.2-63.2164.4000110.7L92 L134 E137L92-I139 HydrophobicContact CB-CG2 4.01Å; L92-I139 WeakPolarHBondContact O-CG2 3.42Å; L134-I139 HydrophobicContact CD2-CB 4.3Å; L134-I139 HydrophobicContact CD2-CD1 3.78Å; L134-I139 HydrophobicContact CD2-CG2 4.25Å; L134-I139 PolarHBondContact O-N 3.27Å; E137-I139 HydrophobicContact CB-CD1 3.75Å; E137-I139 HydrophobicContact CB-CG1 3.99Å; E137-I139 HydrophobicContact CG-CD1 4.47Å; E137-I139 PolarHBondContact O-N 2.84Å
140I76.9Confident67.9Low6 Ų667 Ų673%0.03139%0.387CS..SBendtrans-101.2103.4172.3-60.9175.8000107.8A110 Y131 L134 V135 I145A110-I140 HydrophobicContact CB-CD1 4.09Å; A110-I140 HydrophobicContact CB-CG1 4.05Å; A110-I140 HydrophobicContact CB-CG2 4.42Å; Y131-I140 HydrophobicContact CD2-CD1 3.89Å; Y131-I140 HydrophobicContact CE2-CD1 3.8Å; Y131-I140 HydrophobicContact CE2-CG2 4.19Å; L134-I140 HydrophobicContact CB-CD1 3.74Å; L134-I140 HydrophobicContact CB-CG1 4.02Å; L134-I140 HydrophobicContact CD1-CD1 4.02Å; L134-I140 PolarHBondContact O-N 3.36Å; V135-I140 HydrophobicContact CG2-CB 4.1Å; V135-I140 HydrophobicContact CG2-CG2 4.27Å; I140-I145 HydrophobicContact CG2-CD1 4.49Å; I140-I145 HydrophobicContact CG2-CG1 4.28Å
141T73.7Confident65.3Low77 Ų7769.3 Ų69.347%0.47240%0.401SS..  trans-87.1145.3173.7-59.70000109.7S143 Q144T141-S143 WeakPolarHBondContact CG2-OG 3.41Å; T141-S143 PolarHBondContact O-N 3.4Å; T141-Q144 WeakPolarHBondContact O-CB 3.4Å; T141-Q144 PolarHBondContact O-N 3.37Å
142A58.8Low62.7Low66 Ų6673.6 Ų73.655%0.54543%0.433SS..G310 helixtrans-56.3-24.3-177.200000114.5Q144 I145A142-Q144 PolarHBondContact O-N 3.35Å; A142-I145 HydrophobicContact CB-CD1 4.36Å; A142-I145 PolarHBondContact O-N 3.21Å; A142-I145 VanDerWaalsContact O-N 3.14Å
143S48Very low60.1Low88 Ų8877.6 Ų77.662%0.61545%0.449SS*.G310 helixtrans-60.4-26.4172.552.40000114.3T141 I145T141-S143 WeakPolarHBondContact CG2-OG 3.41Å; T141-S143 PolarHBondContact O-N 3.4Å; S143-I145 VanDerWaalsContact C-N 3.35Å
144Q54.9Low57.4Low54 Ų5480.5 Ų80.525%0.25247%0.47SS..G310 helixtrans-80-14.7176.4-69.7176.7-36.300113.5N107 T141 A142N107-Q144 PolarHBondContact OD1-NE2 2.95Å; T141-Q144 WeakPolarHBondContact O-CB 3.4Å; T141-Q144 PolarHBondContact O-N 3.37Å; A142-Q144 PolarHBondContact O-N 3.35Å
145I53.1Low54.6Low53 Ų5383.4 Ų83.427%0.27249%0.489SS..THydrogen-bonded Turntrans-90.2-27-172.1-44.8169.7000111.5Y131 I140 A142 S143Y131-I145 WeakPolarHBondContact OH-CD1 3.47Å; I140-I145 HydrophobicContact CG2-CD1 4.49Å; I140-I145 HydrophobicContact CG2-CG1 4.28Å; A142-I145 HydrophobicContact CB-CD1 4.36Å; A142-I145 PolarHBondContact O-N 3.21Å; A142-I145 VanDerWaalsContact O-N 3.14Å; S143-I145 VanDerWaalsContact C-N 3.35Å
146V44.6Very low52.1Low126 Ų12690.6 Ų90.676%0.76451%0.51SS*.THydrogen-bonded Turntrans-87.4-9.4-164.7179.20000113.9T148V146-T148 PolarHBondContact O-N 2.96Å
147S40.6Very low49.4Very low87 Ų8786.6 Ų86.661%0.60851%0.511SS*.THydrogen-bonded Turntrans-80.3-10.7-174.1-59.60000115.8
148T35.6Very low46.8Very low35 Ų3585.4 Ų85.422%0.21553%0.527CS..  trans-151.961.6-161.263.40000117.1Q111 V146 V151Q111-T148 WeakPolarHBondContact CG-OG1 3.35Å; Q111-T148 PolarHBondContact NE2-OG1 3.07Å; V146-T148 PolarHBondContact O-N 2.96Å; T148-V151 HydrophobicContact CG2-CB 4.29Å; T148-V151 HydrophobicContact CG2-CG2 3.47Å; T148-V151 VanDerWaalsContact CG2-CG2 3.47Å
149D33.8Very low44.6Very low138 Ų13886 Ų8674%0.73852%0.524SS*.SBendtrans-94.213.6148.7-114.5-7.7000111R118R118-D149 IonicContact CZ-OD1 2.6Å; R118-D149 IonicContact NH1-OD1 2.62Å; R118-D149 PolarHBondContact NH1-OD1 2.71Å; R118-D149 IonicContact NH1-OD2 2.8Å; R118-D149 PolarHBondContact NH1-OD2 3.45Å; R118-D149 VanDerWaalsContact NH1-OD2 3.13Å; R118-D149 IonicContact NH2-OD1 3.64Å; R118-D149 PolarHBondContact NH2-OD1 3.32Å
150S32.8Very low42.8Very low77 Ų7789.5 Ų89.554%0.53855%0.551SS.*SBendtrans-11513.9178.447.60000113.3
151V37.1Very low41.1Very low51 Ų5191 Ų9131%0.30956%0.564SS.*  trans-112.488.8-177.7179.70000111.1T148 V154T148-V151 HydrophobicContact CG2-CB 4.29Å; T148-V151 HydrophobicContact CG2-CG2 3.47Å; T148-V151 VanDerWaalsContact CG2-CG2 3.47Å; V151-V154 HydrophobicContact CG1-CG2 4.47Å
152S35.6Very low39.6Very low103 Ų10389.1 Ų89.172%0.7256%0.557SS**SBendtrans-144.637.8159-76.90000110.8
153E33.2Very low38.7Very low165 Ų16593.3 Ų93.377%0.77157%0.565SS**  trans-153.652.5176.5-145172.4-148.300113.1
154V34.5Very low38.5Very low125 Ų12590.1 Ų90.176%0.75854%0.541SS*.  trans-114.870.8168.9-171.40000109.7V151V151-V154 HydrophobicContact CG1-CG2 4.47Å
155C30.5Very low37.9Very low61 Ų6195 Ų9541%0.41256%0.557SS.*  trans-144.345.6163.5-130.40000110.6Y19Y19-C155 PolarHBondContact OH-SG 3.09Å; Y19-C155 VanDerWaalsContact OH-SG 3.34Å
156R35.6Very low37.3Very low213 Ų21396.6 Ų96.680%0.80456%0.563SS**  trans-137.998.2163.1-72.8-169178.8177.72.1108.5
157S31.2Very low38Very low105 Ų10595.1 Ų95.173%0.73455%0.551SS**SBendtrans-64131.4164.9-161.40000108.3
158G31.8Very low39.1Very low80 Ų8096 Ų9683%0.82555%0.548SS*.  trans114.345-176.800000115.9
159S35.2Very low40.5Very low61 Ų61100.2 Ų100.243%0.42756%0.563SS.*  trans-149.678.5-175.3-1800000115.5A161 A162S159-A161 PolarHBondContact O-N 3.29Å; S159-A162 VanDerWaalsContact OG-CB 3.27Å; S159-A162 WeakPolarHBondContact OG-CB 3.27Å; S159-A162 PolarHBondContact OG-N 2.71Å
160S41.3Very low42.5Very low108 Ų10896.7 Ų96.776%0.75554%0.543SS*.THydrogen-bonded Turntrans-65.7-20.8154.356.70000111.9A162S160-A162 PolarHBondContact O-N 3.22Å; S160-A162 VanDerWaalsContact O-N 3.15Å
161A41.5Very low44.6Very low37 Ų3796.2 Ų96.231%0.30653%0.529SS..THydrogen-bonded Turntrans-68.6-6.2178.800000115.5S159 R165S159-A161 PolarHBondContact O-N 3.29Å; A161-R165 PolarHBondContact O-NH1 2.94Å
162A41.2Very low46.8Very low39 Ų3998 Ų9832%0.32254%0.537SS..THydrogen-bonded Turntrans-88.1-41.9-18000000112.6S159 S160 N164 R165S159-A162 VanDerWaalsContact OG-CB 3.27Å; S159-A162 WeakPolarHBondContact OG-CB 3.27Å; S159-A162 PolarHBondContact OG-N 2.71Å; S160-A162 PolarHBondContact O-N 3.22Å; S160-A162 VanDerWaalsContact O-N 3.15Å; A162-N164 PolarHBondContact O-N 2.94Å; A162-R165 PolarHBondContact O-N 3.49Å
163E41.7Very low49.2Very low154 Ų15497.8 Ų97.872%0.7252%0.523SS*.Hα-helixtrans-61.6-30.4174.5-62.1-175.6151.900110.9R165 Q166E163-R165 VanDerWaalsContact C-N 3.3Å; E163-R165 PolarHBondContact O-N 3.34Å; E163-Q166 WeakPolarHBondContact O-CB 3.4Å; E163-Q166 PolarHBondContact O-N 3.15Å
164N41.8Very low51.7Low20 Ų2092.6 Ų92.611%0.10750%0.498CS..Hα-helixtrans-62.4-31.1-179.1-150.654.1000114.7A162 Q166 E270 Q272A162-N164 PolarHBondContact O-N 2.94Å; N164-Q166 VanDerWaalsContact C-N 3.26Å; N164-Q166 PolarHBondContact O-N 3Å; N164-E270 PolarHBondContact OD1-O 3.47Å; N164-Q272 VanDerWaalsContact ND2-CG 3.26Å; N164-Q272 WeakPolarHBondContact ND2-CG 3.46Å; N164-Q272 PolarHBondContact ND2-OE1 3.25Å
165R42.3Very low54.2Low156 Ų15689.6 Ų89.659%0.58948%0.483SS*.Hα-helixtrans-70-26.5174.4-67.8-168.1-66.7-86.36.6112.3A161 A162 E163 F169A161-R165 PolarHBondContact O-NH1 2.94Å; A162-R165 PolarHBondContact O-N 3.49Å; E163-R165 VanDerWaalsContact C-N 3.3Å; E163-R165 PolarHBondContact O-N 3.34Å; R165-F169 VanDerWaalsContact O-CB 3.3Å; R165-F169 WeakPolarHBondContact O-CB 3.36Å; R165-F169 PolarHBondContact O-N 3.37Å; R165-F169 VanDerWaalsContact O-N 3.11Å
166Q41.5Very low57Low88 Ų8893.4 Ų93.441%0.41149%0.494SS..Hα-helixtrans-69-38.1-178.6-141.871.9-0.300111.4E163 N164 F169 E170E163-Q166 WeakPolarHBondContact O-CB 3.4Å; E163-Q166 PolarHBondContact O-N 3.15Å; N164-Q166 VanDerWaalsContact C-N 3.26Å; N164-Q166 PolarHBondContact O-N 3Å; Q166-F169 PolarHBondContact O-N 2.85Å; Q166-E170 WeakPolarHBondContact O-CB 3.45Å; Q166-E170 WeakPolarHBondContact O-CG 3.47Å; Q166-E170 PolarHBondContact O-N 2.94Å
167N59Low59.6Low95 Ų9589.8 Ų89.851%0.50848%0.481SS..Hα-helixtrans-66.4-44.4179.8-72.1-35.1000112.8R171N167-R171 WeakPolarHBondContact O-CB 3.36Å; N167-R171 PolarHBondContact O-N 2.73Å
168I63.3Low62.4Low105 Ų10586 Ų8654%0.53845%0.452SS..Hα-helixtrans-65.7-41.8176-59.7173.5000110.3R171 N172I168-R171 PolarHBondContact O-N 3.19Å; I168-N172 PolarHBondContact O-N 3.19Å
169F65.6Low65.2Low123 Ų12384.8 Ų84.854%0.53943%0.429SS..Hα-helixtrans-65.4-45.3178.4-174.1-100.2000112.6R165 Q166 N172 K173R165-F169 VanDerWaalsContact O-CB 3.3Å; R165-F169 WeakPolarHBondContact O-CB 3.36Å; R165-F169 PolarHBondContact O-N 3.37Å; R165-F169 VanDerWaalsContact O-N 3.11Å; Q166-F169 PolarHBondContact O-N 2.85Å; F169-N172 PolarHBondContact O-N 3.49Å; F169-K173 HydrophobicContact CE1-CD 4.19Å; F169-K173 VanDerWaalsContact O-CB 3.28Å; F169-K173 WeakPolarHBondContact O-CB 3.48Å; F169-K173 PolarHBondContact O-N 3.36Å
170E75.4Confident67.9Low65 Ų6588.8 Ų88.830%0.30444%0.441SS..Hα-helixtrans-67.2-34.3175.6-70.6-62.2145.400111.8Q166 K173 K174Q166-E170 WeakPolarHBondContact O-CB 3.45Å; Q166-E170 WeakPolarHBondContact O-CG 3.47Å; Q166-E170 PolarHBondContact O-N 2.94Å; E170-K173 PolarHBondContact O-N 2.92Å; E170-K173 IonicContact OE1-NZ 3.7Å; E170-K173 PolarHBondContact OE1-NZ 2.83Å; E170-K173 IonicContact OE2-NZ 3.29Å; E170-K173 PolarHBondContact OE2-NZ 2.71Å; E170-K174 WeakPolarHBondContact O-CB 3.29Å; E170-K174 VanDerWaalsContact O-CG 3.22Å; E170-K174 WeakPolarHBondContact O-CG 3.42Å; E170-K174 PolarHBondContact O-N 2.93Å
171R78.1Confident70.3Confident66 Ų6684.4 Ų84.425%0.24941%0.409CS..Hα-helixtrans-60.2-48.3170.6173.4167.2-99.669.230.6111.9N167 I168 K173 K174 S175 E203 D204 R207N167-R171 WeakPolarHBondContact O-CB 3.36Å; N167-R171 PolarHBondContact O-N 2.73Å; I168-R171 PolarHBondContact O-N 3.19Å; R171-K173 PolarHBondContact O-N 2.7Å; R171-K174 PolarHBondContact O-N 2.81Å; R171-S175 PolarHBondContact O-N 3.39Å; R171-E203 IonicContact CZ-OE1 2.6Å; R171-E203 IonicContact NH1-OE1 2.64Å; R171-E203 PolarHBondContact NH1-OE1 3.41Å; R171-E203 IonicContact NH2-OE1 2.7Å; R171-E203 PolarHBondContact NH2-OE1 3.4Å; R171-D204 IonicContact CZ-OD1 3.8Å; R171-D204 IonicContact NE-OD1 2.76Å; R171-D204 IonicContact NH2-OD1 3.9Å; R171-D204 PolarHBondContact NH2-OD1 2.91Å; R171-R207 VanDerWaalsContact CZ-CZ 3.45Å
172N81.7Confident72.5Confident90 Ų9087.1 Ų87.148%0.48142%0.418SS..Hα-helixtrans-61.6-45.1177.4-73.6-19.6000111.4I168 F169 K174 S175 E176I168-N172 PolarHBondContact O-N 3.19Å; F169-N172 PolarHBondContact O-N 3.49Å; N172-K174 PolarHBondContact O-N 3.42Å; N172-S175 WeakPolarHBondContact O-CB 3.49Å; N172-S175 PolarHBondContact O-N 3.07Å; N172-S175 VanDerWaalsContact O-N 3.12Å; N172-E176 WeakPolarHBondContact O-CG 3.41Å; N172-E176 PolarHBondContact O-N 3.07Å
173K87.2Confident74.8Confident98 Ų9895.2 Ų95.243%0.42644%0.44SS..Hα-helixtrans-64-37.2176.6-179.4176.8160.6-146.30113.3F169 E170 R171 R177F169-K173 HydrophobicContact CE1-CD 4.19Å; F169-K173 VanDerWaalsContact O-CB 3.28Å; F169-K173 WeakPolarHBondContact O-CB 3.48Å; F169-K173 PolarHBondContact O-N 3.36Å; E170-K173 PolarHBondContact O-N 2.92Å; E170-K173 IonicContact OE1-NZ 3.7Å; E170-K173 PolarHBondContact OE1-NZ 2.83Å; E170-K173 IonicContact OE2-NZ 3.29Å; E170-K173 PolarHBondContact OE2-NZ 2.71Å; R171-K173 PolarHBondContact O-N 2.7Å; K173-R177 VanDerWaalsContact O-CB 3.27Å; K173-R177 WeakPolarHBondContact O-CB 3.49Å; K173-R177 PolarHBondContact O-N 3.35Å
174K85.9Confident77Confident55 Ų5589.6 Ų89.624%0.23942%0.417CS..Hα-helixtrans-61.9-44.5169.7-76176.8-171.1-171.60110.7E170 R171 N172 R177 L178 L196 I200 E203E170-K174 WeakPolarHBondContact O-CB 3.29Å; E170-K174 VanDerWaalsContact O-CG 3.22Å; E170-K174 WeakPolarHBondContact O-CG 3.42Å; E170-K174 PolarHBondContact O-N 2.93Å; R171-K174 PolarHBondContact O-N 2.81Å; N172-K174 PolarHBondContact O-N 3.42Å; K174-R177 PolarHBondContact O-N 3.29Å; K174-L178 WeakPolarHBondContact O-CB 3.38Å; K174-L178 PolarHBondContact O-N 2.88Å; K174-L196 HydrophobicContact CB-CD1 4.21Å; K174-L196 HydrophobicContact CG-CD1 4.13Å; K174-I200 HydrophobicContact CB-CD1 4.31Å; K174-E203 IonicContact NZ-OE2 2.79Å; K174-E203 PolarHBondContact NZ-OE2 3.11Å
175S85.5Confident79.1Confident63 Ų63100.2 Ų100.244%0.44146%0.456SS..Hα-helixtrans-64.6-43.3178.3-172.30000112.9R171 N172 L178 T179R171-S175 PolarHBondContact O-N 3.39Å; N172-S175 WeakPolarHBondContact O-CB 3.49Å; N172-S175 PolarHBondContact O-N 3.07Å; N172-S175 VanDerWaalsContact O-N 3.12Å; S175-L178 PolarHBondContact O-N 3.5Å; S175-T179 WeakPolarHBondContact O-CB 3.4Å; S175-T179 PolarHBondContact O-N 2.9Å; S175-T179 PolarHBondContact O-OG1 3.3Å
176E90.3Very high81.4Confident141 Ų14196.2 Ų96.266%0.65945%0.446SS*.Hα-helixtrans-63.5-46.7174.6-73.4178.4-177.500111.9N172 L178 T179 Q180N172-E176 WeakPolarHBondContact O-CG 3.41Å; N172-E176 PolarHBondContact O-N 3.07Å; E176-L178 VanDerWaalsContact C-N 3.35Å; E176-L178 PolarHBondContact O-N 3.43Å; E176-T179 WeakPolarHBondContact O-CB 3.47Å; E176-T179 PolarHBondContact O-N 3.21Å; E176-T179 VanDerWaalsContact O-N 3.16Å; E176-Q180 PolarHBondContact O-N 3.38Å
177R89.7Confident83.7Confident137 Ų13796.5 Ų96.552%0.51746%0.456SS..Hα-helixtrans-59.8-44.7175.6-175.9176.6-177.5155.42.4111.2K173 K174 T179 Q180 L181 E192 L196K173-R177 VanDerWaalsContact O-CB 3.27Å; K173-R177 WeakPolarHBondContact O-CB 3.49Å; K173-R177 PolarHBondContact O-N 3.35Å; K174-R177 PolarHBondContact O-N 3.29Å; R177-T179 VanDerWaalsContact C-N 3.32Å; R177-T179 PolarHBondContact O-N 3.38Å; R177-Q180 WeakPolarHBondContact O-CB 3.34Å; R177-Q180 PolarHBondContact O-N 3.13Å; R177-L181 HydrophobicContact CG-CD1 4Å; R177-L181 HydrophobicContact CG-CG 4.42Å; R177-L181 VanDerWaalsContact O-CG 3.23Å; R177-L181 WeakPolarHBondContact O-CG 3.33Å; R177-L181 PolarHBondContact O-N 2.97Å; R177-E192 IonicContact CZ-OE1 2.7Å; R177-E192 IonicContact NE-OE1 2.87Å; R177-E192 PolarHBondContact NE-OE1 2.78Å; R177-E192 IonicContact NH2-OE1 3.13Å; R177-E192 PolarHBondContact NH2-OE1 3.28Å; R177-E192 IonicContact NH2-OE2 2.95Å; R177-L196 HydrophobicContact CB-CD2 4.23Å; R177-L196 HydrophobicContact CG-CD2 4.13Å
178L91.1Very high85.2Confident26 Ų2693.8 Ų93.814%0.13645%0.447CS..Hα-helixtrans-58.5-45.3174.6177.658.2000111.3K174 S175 E176 Q180 L181 L182 A193 L196 I197 I200K174-L178 WeakPolarHBondContact O-CB 3.38Å; K174-L178 PolarHBondContact O-N 2.88Å; S175-L178 PolarHBondContact O-N 3.5Å; E176-L178 VanDerWaalsContact C-N 3.35Å; E176-L178 PolarHBondContact O-N 3.43Å; L178-Q180 VanDerWaalsContact C-N 3.29Å; L178-Q180 PolarHBondContact O-N 2.9Å; L178-L181 PolarHBondContact O-N 3.15Å; L178-L182 HydrophobicContact CD1-CD1 3.83Å; L178-L182 HydrophobicContact CD1-CD2 4.47Å; L178-L182 HydrophobicContact CD1-CG 3.86Å; L178-L182 HydrophobicContact CG-CD1 3.84Å; L178-L182 HydrophobicContact CG-CG 4.31Å; L178-L182 WeakPolarHBondContact O-CB 3.33Å; L178-L182 VanDerWaalsContact O-CG 3.31Å; L178-L182 WeakPolarHBondContact O-CG 3.28Å; L178-L182 PolarHBondContact O-N 3.08Å; L178-A193 HydrophobicContact CD1-CB 3.92Å; L178-L196 HydrophobicContact CB-CD2 3.82Å; L178-L196 HydrophobicContact CB-CG 4.31Å; L178-I197 HydrophobicContact CD1-CD1 4.03Å; L178-I197 HydrophobicContact CD1-CG1 3.64Å; L178-I197 HydrophobicContact CD2-CG1 3.83Å; L178-I197 HydrophobicContact CG-CG1 4.39Å; L178-I200 HydrophobicContact CD2-CD1 3.9Å
179T91Very high86.6Confident54 Ų5490.9 Ų90.933%0.33143%0.432SS..Hα-helixtrans-62.1-36.2177.5-56.60000112.2S175 E176 R177 R183S175-T179 WeakPolarHBondContact O-CB 3.4Å; S175-T179 PolarHBondContact O-N 2.9Å; S175-T179 PolarHBondContact O-OG1 3.3Å; E176-T179 WeakPolarHBondContact O-CB 3.47Å; E176-T179 PolarHBondContact O-N 3.21Å; E176-T179 VanDerWaalsContact O-N 3.16Å; R177-T179 VanDerWaalsContact C-N 3.32Å; R177-T179 PolarHBondContact O-N 3.38Å; T179-R183 VanDerWaalsContact CG2-CZ 3.5Å; T179-R183 VanDerWaalsContact O-CG 3.31Å; T179-R183 WeakPolarHBondContact O-CG 3.33Å; T179-R183 PolarHBondContact O-N 3.49Å
180Q91.3Very high87.7Confident145 Ų14588.5 Ų88.568%0.67843%0.425SS*.Hα-helixtrans-68.6-45.3174.6-173.6176.88.100111.9E176 R177 L178 R183 S184E176-Q180 PolarHBondContact O-N 3.38Å; R177-Q180 WeakPolarHBondContact O-CB 3.34Å; R177-Q180 PolarHBondContact O-N 3.13Å; L178-Q180 VanDerWaalsContact C-N 3.29Å; L178-Q180 PolarHBondContact O-N 2.9Å; Q180-R183 PolarHBondContact O-N 3.35Å; Q180-S184 PolarHBondContact O-N 2.81Å
181L90.5Very high88.5Confident15 Ų1593.9 Ų93.98%0.07944%0.442CS..Hα-helixtrans-64.9-40.8179.5-65.6165.9000112R177 L178 R183 S184 D189 E192 A193 L196R177-L181 HydrophobicContact CG-CD1 4Å; R177-L181 HydrophobicContact CG-CG 4.42Å; R177-L181 VanDerWaalsContact O-CG 3.23Å; R177-L181 WeakPolarHBondContact O-CG 3.33Å; R177-L181 PolarHBondContact O-N 2.97Å; L178-L181 PolarHBondContact O-N 3.15Å; L181-R183 VanDerWaalsContact C-N 3.27Å; L181-R183 PolarHBondContact O-N 3.05Å; L181-S184 WeakPolarHBondContact O-CB 3.24Å; L181-S184 PolarHBondContact O-N 3.42Å; L181-S184 VanDerWaalsContact O-N 3.1Å; L181-D189 HydrophobicContact CD2-CB 3.8Å; L181-E192 HydrophobicContact CD1-CB 3.98Å; L181-E192 HydrophobicContact CD1-CG 3.71Å; L181-E192 WeakPolarHBondContact CD1-OE1 3.32Å; L181-E192 HydrophobicContact CD2-CB 4.12Å; L181-E192 HydrophobicContact CD2-CG 4.3Å; L181-A193 HydrophobicContact CB-CB 3.87Å; L181-L196 HydrophobicContact CD1-CD2 4.1Å
182L89Confident89.2Confident95 Ų9594.3 Ų94.350%0.49745%0.447SS..Hα-helixtrans-68.1-22.7176.4-70.9174.5000113.7L178 S184 A193 I197L178-L182 HydrophobicContact CD1-CD1 3.83Å; L178-L182 HydrophobicContact CD1-CD2 4.47Å; L178-L182 HydrophobicContact CD1-CG 3.86Å; L178-L182 HydrophobicContact CG-CD1 3.84Å; L178-L182 HydrophobicContact CG-CG 4.31Å; L178-L182 WeakPolarHBondContact O-CB 3.33Å; L178-L182 VanDerWaalsContact O-CG 3.31Å; L178-L182 WeakPolarHBondContact O-CG 3.28Å; L178-L182 PolarHBondContact O-N 3.08Å; L182-S184 VanDerWaalsContact C-N 3.34Å; L182-A193 HydrophobicContact CD2-CB 3.91Å; L182-A193 HydrophobicContact CG-CB 4.27Å; L182-I197 HydrophobicContact CD2-CD1 4.48Å
183R89.6Confident89.8Confident208 Ų20890 Ų9079%0.78542%0.424SS*.Hα-helixtrans-80.6-14.6172-75.5173.4-179149.33.7113.1T179 Q180 L181T179-R183 VanDerWaalsContact CG2-CZ 3.5Å; T179-R183 VanDerWaalsContact O-CG 3.31Å; T179-R183 WeakPolarHBondContact O-CG 3.33Å; T179-R183 PolarHBondContact O-N 3.49Å; Q180-R183 PolarHBondContact O-N 3.35Å; L181-R183 VanDerWaalsContact C-N 3.27Å; L181-R183 PolarHBondContact O-N 3.05Å
184S88.2Confident90.1Very high36 Ų3690.2 Ų90.225%0.25243%0.43SS..  trans-81.4142.7179.5-172.30000111.7Q180 L181 L182 N186 D189Q180-S184 PolarHBondContact O-N 2.81Å; L181-S184 WeakPolarHBondContact O-CB 3.24Å; L181-S184 PolarHBondContact O-N 3.42Å; L181-S184 VanDerWaalsContact O-N 3.1Å; L182-S184 VanDerWaalsContact C-N 3.34Å; S184-N186 VanDerWaalsContact C-N 3.32Å; S184-N186 WeakPolarHBondContact OG-CB 3.33Å; S184-N186 PolarHBondContact OG-N 3.27Å; S184-D189 WeakPolarHBondContact CB-OD2 3.37Å; S184-D189 PolarHBondContact OG-OD2 2.85Å
185R85.5Confident90.4Very high244 Ų24490.7 Ų90.792%0.92144%0.444SS*.  trans-915173.9-158172.9178.4177.9-0.3112.5
186N89.9Confident90.7Very high71 Ų7188.8 Ų88.838%0.3843%0.429SS..  trans-82.9128.1-176.9-175.815.8000111.8S184 A188 D189 L190S184-N186 VanDerWaalsContact C-N 3.32Å; S184-N186 WeakPolarHBondContact OG-CB 3.33Å; S184-N186 PolarHBondContact OG-N 3.27Å; N186-A188 PolarHBondContact O-N 2.81Å; N186-A188 VanDerWaalsContact O-N 3.17Å; N186-A188 PolarHBondContact OD1-N 3.47Å; N186-D189 HydrophobicContact CB-CB 4.19Å; N186-D189 PolarHBondContact ND2-OD1 2.82Å; N186-D189 PolarHBondContact O-N 2.91Å; N186-L190 PolarHBondContact O-N 3.47Å; N186-L190 VanDerWaalsContact O-N 3.15Å
187P89.9Confident90.8Very high94 Ų9485.1 Ų85.161%0.6141%0.413SS*.Hα-helixtrans-66.3-11.417726.5-36.9000115.1R191P187-R191 WeakPolarHBondContact O-CG 3.26Å; P187-R191 PolarHBondContact O-NE 2.83Å; P187-R191 VanDerWaalsContact O-NE 3.15Å
188A90.3Very high90.9Very high39 Ų3985.5 Ų85.532%0.32242%0.419SS..Hα-helixtrans-75.5-51167.800000111.1N186 L190 R191 E192N186-A188 PolarHBondContact O-N 2.81Å; N186-A188 VanDerWaalsContact O-N 3.17Å; N186-A188 PolarHBondContact OD1-N 3.47Å; A188-L190 VanDerWaalsContact C-N 3.28Å; A188-L190 PolarHBondContact O-N 3.43Å; A188-R191 WeakPolarHBondContact O-CB 3.3Å; A188-R191 PolarHBondContact O-N 2.84Å; A188-E192 PolarHBondContact O-N 2.85Å; A188-E192 VanDerWaalsContact O-N 3.1Å
189D92.8Very high91Very high43 Ų4386.7 Ų86.723%0.2343%0.429CS..Hα-helixtrans-61-36.9-178.5-53.213.4000111.3L181 S184 N186 R191 E192 A193L181-D189 HydrophobicContact CD2-CB 3.8Å; S184-D189 WeakPolarHBondContact CB-OD2 3.37Å; S184-D189 PolarHBondContact OG-OD2 2.85Å; N186-D189 HydrophobicContact CB-CB 4.19Å; N186-D189 PolarHBondContact ND2-OD1 2.82Å; N186-D189 PolarHBondContact O-N 2.91Å; D189-R191 VanDerWaalsContact C-N 3.35Å; D189-R191 PolarHBondContact O-N 2.83Å; D189-E192 PolarHBondContact O-N 3.4Å; D189-A193 WeakPolarHBondContact O-CB 3.29Å; D189-A193 PolarHBondContact O-N 2.9Å
190L89.1Confident90.9Very high74 Ų7485.5 Ų85.539%0.38742%0.42SS..Hα-helixtrans-64.8-33.2173.2-68.8174.7000113.4N186 A188 N194N186-L190 PolarHBondContact O-N 3.47Å; N186-L190 VanDerWaalsContact O-N 3.15Å; A188-L190 VanDerWaalsContact C-N 3.28Å; A188-L190 PolarHBondContact O-N 3.43Å; L190-N194 VanDerWaalsContact O-CG 3.27Å; L190-N194 PolarHBondContact O-N 2.89Å; L190-N194 PolarHBondContact O-ND2 2.85Å
191R92.6Very high90.9Very high178 Ų17882.9 Ų82.967%0.67241%0.414SS*.Hα-helixtrans-70.5-37.9173.6-74-179.3-68.8143.6-1.9111.2P187 A188 D189 N194 A195P187-R191 WeakPolarHBondContact O-CG 3.26Å; P187-R191 PolarHBondContact O-NE 2.83Å; P187-R191 VanDerWaalsContact O-NE 3.15Å; A188-R191 WeakPolarHBondContact O-CB 3.3Å; A188-R191 PolarHBondContact O-N 2.84Å; D189-R191 VanDerWaalsContact C-N 3.35Å; D189-R191 PolarHBondContact O-N 2.83Å; R191-N194 PolarHBondContact O-N 2.85Å; R191-A195 PolarHBondContact O-N 2.84Å; R191-A195 VanDerWaalsContact O-N 3.08Å
192E92.4Very high90.9Very high74 Ų7488 Ų8835%0.34644%0.437SS..Hα-helixtrans-66.4-41.7173.8-166.5-178.9133.200111.4R177 L181 A188 D189 N194 A195 L196R177-E192 IonicContact CZ-OE1 2.7Å; R177-E192 IonicContact NE-OE1 2.87Å; R177-E192 PolarHBondContact NE-OE1 2.78Å; R177-E192 IonicContact NH2-OE1 3.13Å; R177-E192 PolarHBondContact NH2-OE1 3.28Å; R177-E192 IonicContact NH2-OE2 2.95Å; L181-E192 HydrophobicContact CD1-CB 3.98Å; L181-E192 HydrophobicContact CD1-CG 3.71Å; L181-E192 WeakPolarHBondContact CD1-OE1 3.32Å; L181-E192 HydrophobicContact CD2-CB 4.12Å; L181-E192 HydrophobicContact CD2-CG 4.3Å; A188-E192 PolarHBondContact O-N 2.85Å; A188-E192 VanDerWaalsContact O-N 3.1Å; D189-E192 PolarHBondContact O-N 3.4Å; E192-N194 PolarHBondContact O-N 2.89Å; E192-A195 PolarHBondContact O-N 2.86Å; E192-L196 VanDerWaalsContact O-CB 3.3Å; E192-L196 WeakPolarHBondContact O-CB 3.47Å; E192-L196 PolarHBondContact O-N 2.8Å
193A93.5Very high90.8Very high0 Ų086.5 Ų86.50%043%0.428CS..Hα-helixtrans-57.6-48.6173.800000111.4L178 L181 L182 D189 A195 L196 I197L178-A193 HydrophobicContact CD1-CB 3.92Å; L181-A193 HydrophobicContact CB-CB 3.87Å; L182-A193 HydrophobicContact CD2-CB 3.91Å; L182-A193 HydrophobicContact CG-CB 4.27Å; D189-A193 WeakPolarHBondContact O-CB 3.29Å; D189-A193 PolarHBondContact O-N 2.9Å; A193-A195 VanDerWaalsContact C-N 3.34Å; A193-A195 PolarHBondContact O-N 2.8Å; A193-L196 PolarHBondContact O-N 3.44Å; A193-I197 WeakPolarHBondContact O-CB 3.23Å; A193-I197 VanDerWaalsContact O-CG1 3.25Å; A193-I197 WeakPolarHBondContact O-CG1 3.47Å; A193-I197 PolarHBondContact O-N 2.94Å
194N93.4Very high90.7Very high102 Ų10279.2 Ų79.255%0.54541%0.405SS..Hα-helixtrans-62.9-38.1178.6-71.7-20000112.8L190 R191 E192 K198L190-N194 VanDerWaalsContact O-CG 3.27Å; L190-N194 PolarHBondContact O-N 2.89Å; L190-N194 PolarHBondContact O-ND2 2.85Å; R191-N194 PolarHBondContact O-N 2.85Å; E192-N194 PolarHBondContact O-N 2.89Å; N194-K198 PolarHBondContact O-N 2.86Å; N194-K198 VanDerWaalsContact O-N 3.13Å
195A92.9Very high90.8Very high65 Ų6582.3 Ų82.354%0.53742%0.415SS..Hα-helixtrans-67.1-40.5174.500000112R191 E192 A193 K198 S199R191-A195 PolarHBondContact O-N 2.84Å; R191-A195 VanDerWaalsContact O-N 3.08Å; E192-A195 PolarHBondContact O-N 2.86Å; A193-A195 VanDerWaalsContact C-N 3.34Å; A193-A195 PolarHBondContact O-N 2.8Å; A195-K198 PolarHBondContact O-N 3.29Å; A195-S199 PolarHBondContact O-N 3.23Å; A195-S199 VanDerWaalsContact O-N 3.07Å
196L92.1Very high90.9Very high24 Ų2474.2 Ų74.213%0.12639%0.393CS..Hα-helixtrans-69.9-39178.7-173.954.3000112K174 R177 L178 L181 E192 A193 S199 I200K174-L196 HydrophobicContact CB-CD1 4.21Å; K174-L196 HydrophobicContact CG-CD1 4.13Å; R177-L196 HydrophobicContact CB-CD2 4.23Å; R177-L196 HydrophobicContact CG-CD2 4.13Å; L178-L196 HydrophobicContact CB-CD2 3.82Å; L178-L196 HydrophobicContact CB-CG 4.31Å; L181-L196 HydrophobicContact CD1-CD2 4.1Å; E192-L196 VanDerWaalsContact O-CB 3.3Å; E192-L196 WeakPolarHBondContact O-CB 3.47Å; E192-L196 PolarHBondContact O-N 2.8Å; A193-L196 PolarHBondContact O-N 3.44Å; L196-S199 PolarHBondContact O-N 2.83Å; L196-I200 HydrophobicContact CD1-CD1 4.17Å; L196-I200 HydrophobicContact CD1-CG1 4.4Å; L196-I200 HydrophobicContact CG-CD1 3.96Å; L196-I200 VanDerWaalsContact O-CG1 3.3Å; L196-I200 WeakPolarHBondContact O-CG1 3.25Å; L196-I200 PolarHBondContact O-N 2.93Å
197I91.9Very high90.7Very high63 Ų6373.2 Ų73.232%0.32338%0.383SS..Hα-helixtrans-57-49.7170.4-71.7162000110L178 L182 A193 S199 I200 V201L178-I197 HydrophobicContact CD1-CD1 4.03Å; L178-I197 HydrophobicContact CD1-CG1 3.64Å; L178-I197 HydrophobicContact CD2-CG1 3.83Å; L178-I197 HydrophobicContact CG-CG1 4.39Å; L182-I197 HydrophobicContact CD2-CD1 4.48Å; A193-I197 WeakPolarHBondContact O-CB 3.23Å; A193-I197 VanDerWaalsContact O-CG1 3.25Å; A193-I197 WeakPolarHBondContact O-CG1 3.47Å; A193-I197 PolarHBondContact O-N 2.94Å; I197-S199 VanDerWaalsContact C-N 3.32Å; I197-S199 PolarHBondContact O-N 2.86Å; I197-I200 PolarHBondContact O-N 2.87Å; I197-V201 HydrophobicContact CG2-CG2 4.25Å; I197-V201 WeakPolarHBondContact O-CB 3.48Å; I197-V201 WeakPolarHBondContact O-CG2 3.18Å; I197-V201 PolarHBondContact O-N 2.91Å
198K93Very high90.5Very high146 Ų14674.1 Ų74.164%0.63538%0.381SS*.Hα-helixtrans-57.4-46.3178.4-172.4-175.1174.3-1700111.5N194 A195 V201 E202N194-K198 PolarHBondContact O-N 2.86Å; N194-K198 VanDerWaalsContact O-N 3.13Å; A195-K198 PolarHBondContact O-N 3.29Å; K198-V201 PolarHBondContact O-N 3.46Å; K198-E202 WeakPolarHBondContact O-CB 3.1Å; K198-E202 PolarHBondContact O-N 2.92Å
199S91.3Very high90.4Very high50 Ų5078.2 Ų78.235%0.3539%0.394SS..Hα-helixtrans-63.6-39.5178176.40000113A195 L196 I197 E203A195-S199 PolarHBondContact O-N 3.23Å; A195-S199 VanDerWaalsContact O-N 3.07Å; L196-S199 PolarHBondContact O-N 2.83Å; I197-S199 VanDerWaalsContact C-N 3.32Å; I197-S199 PolarHBondContact O-N 2.86Å; S199-E203 VanDerWaalsContact O-CB 3.29Å; S199-E203 WeakPolarHBondContact O-CB 3.41Å; S199-E203 PolarHBondContact O-N 3.49Å; S199-E203 VanDerWaalsContact O-N 3.07Å
200I90Very high90Very high30 Ų3079.6 Ų79.615%0.15440%0.398CS..Hα-helixtrans-67.3-45.1177.9-70.8164000110.2K174 L178 L196 I197 E202 E203 D204K174-I200 HydrophobicContact CB-CD1 4.31Å; L178-I200 HydrophobicContact CD2-CD1 3.9Å; L196-I200 HydrophobicContact CD1-CD1 4.17Å; L196-I200 HydrophobicContact CD1-CG1 4.4Å; L196-I200 HydrophobicContact CG-CD1 3.96Å; L196-I200 VanDerWaalsContact O-CG1 3.3Å; L196-I200 WeakPolarHBondContact O-CG1 3.25Å; L196-I200 PolarHBondContact O-N 2.93Å; I197-I200 PolarHBondContact O-N 2.87Å; I200-E202 PolarHBondContact O-N 3.13Å; I200-E203 PolarHBondContact O-N 3.13Å; I200-D204 WeakPolarHBondContact CG2-OD2 3.35Å; I200-D204 VanDerWaalsContact O-CB 3.23Å; I200-D204 WeakPolarHBondContact O-CB 3.45Å; I200-D204 PolarHBondContact O-N 3.36Å
201V91.5Very high89.8Confident90 Ų9078 Ų7855%0.54539%0.391SS..Hα-helixtrans-63-42.6178.5171.30000111.9I197 K198 D204 Q205I197-V201 HydrophobicContact CG2-CG2 4.25Å; I197-V201 WeakPolarHBondContact O-CB 3.48Å; I197-V201 WeakPolarHBondContact O-CG2 3.18Å; I197-V201 PolarHBondContact O-N 2.91Å; K198-V201 PolarHBondContact O-N 3.46Å; V201-D204 PolarHBondContact O-N 3.02Å; V201-Q205 WeakPolarHBondContact O-CB 3.36Å; V201-Q205 PolarHBondContact O-N 3.38Å
202E90.7Very high89.6Confident122 Ų12273.2 Ų73.257%0.5739%0.385SS*.Hα-helixtrans-65.2-41.7177.4-172.3166.7-170.600111.7K198 I200 V206K198-E202 WeakPolarHBondContact O-CB 3.1Å; K198-E202 PolarHBondContact O-N 2.92Å; I200-E202 PolarHBondContact O-N 3.13Å; E202-V206 WeakPolarHBondContact O-CG2 3.33Å; E202-V206 PolarHBondContact O-N 3.27Å
203E86.6Confident89.4Confident63 Ų6374.6 Ų74.629%0.29439%0.391SS..Hα-helixtrans-68.9-36.9175.8-162.8-169.6125.100112.6R171 K174 S199 I200 R207R171-E203 IonicContact CZ-OE1 2.6Å; R171-E203 IonicContact NH1-OE1 2.64Å; R171-E203 PolarHBondContact NH1-OE1 3.41Å; R171-E203 IonicContact NH2-OE1 2.7Å; R171-E203 PolarHBondContact NH2-OE1 3.4Å; K174-E203 IonicContact NZ-OE2 2.79Å; K174-E203 PolarHBondContact NZ-OE2 3.11Å; S199-E203 VanDerWaalsContact O-CB 3.29Å; S199-E203 WeakPolarHBondContact O-CB 3.41Å; S199-E203 PolarHBondContact O-N 3.49Å; S199-E203 VanDerWaalsContact O-N 3.07Å; I200-E203 PolarHBondContact O-N 3.13Å; E203-R207 PolarHBondContact O-N 2.98Å; E203-R207 PolarHBondContact O-NH2 3.15Å; E203-R207 IonicContact OE1-NH2 2.72Å
204D87.2Confident89.1Confident56 Ų5675.3 Ų75.330%0.29939%0.394SS..Hα-helixtrans-71-36.9176.5-72.7-7.1000112.2R171 I200 V201 R207 M208R171-D204 IonicContact CZ-OD1 3.8Å; R171-D204 IonicContact NE-OD1 2.76Å; R171-D204 IonicContact NH2-OD1 3.9Å; R171-D204 PolarHBondContact NH2-OD1 2.91Å; I200-D204 WeakPolarHBondContact CG2-OD2 3.35Å; I200-D204 VanDerWaalsContact O-CB 3.23Å; I200-D204 WeakPolarHBondContact O-CB 3.45Å; I200-D204 PolarHBondContact O-N 3.36Å; V201-D204 PolarHBondContact O-N 3.02Å; D204-R207 VanDerWaalsContact CA-NH2 3.3Å; D204-R207 PolarHBondContact O-N 2.87Å; D204-R207 IonicContact OD1-CZ 2.71Å; D204-R207 IonicContact OD1-NH1 3.67Å; D204-R207 PolarHBondContact OD1-NH1 2.99Å; D204-R207 IonicContact OD1-NH2 2.73Å; D204-R207 PolarHBondContact OD1-NH2 3.29Å; D204-M208 VanDerWaalsContact O-CB 3.28Å; D204-M208 WeakPolarHBondContact O-CB 3.36Å; D204-M208 PolarHBondContact O-N 3.06Å
205Q90.5Very high88.9Confident100 Ų10073.2 Ų73.247%0.46739%0.385SS..Hα-helixtrans-61.7-48.2174.6-179.158.347.900111.8V201 R207 M208 E209V201-Q205 WeakPolarHBondContact O-CB 3.36Å; V201-Q205 PolarHBondContact O-N 3.38Å; Q205-R207 VanDerWaalsContact C-N 3.3Å; Q205-R207 PolarHBondContact O-N 3Å; Q205-M208 PolarHBondContact O-N 3.32Å; Q205-M208 VanDerWaalsContact OE1-CE 3.27Å; Q205-E209 PolarHBondContact O-N 3.11Å
206V87.5Confident88.8Confident75 Ų7573.6 Ų73.646%0.45538%0.384SS..Hα-helixtrans-61.7-39178.9171.50000111.4E202 K210E202-V206 WeakPolarHBondContact O-CG2 3.33Å; E202-V206 PolarHBondContact O-N 3.27Å; V206-K210 WeakPolarHBondContact O-CG 3.32Å; V206-K210 PolarHBondContact O-N 2.99Å; V206-K210 VanDerWaalsContact O-N 3.09Å
207R85.3Confident88.8Confident49 Ų4975.3 Ų75.319%0.18539%0.391CS..Hα-helixtrans-71.1-42.6177.8-167.4179.2-23.689.530.5112.3R171 E203 D204 Q205 E209 K210 V211 E271R171-R207 VanDerWaalsContact CZ-CZ 3.45Å; E203-R207 PolarHBondContact O-N 2.98Å; E203-R207 PolarHBondContact O-NH2 3.15Å; E203-R207 IonicContact OE1-NH2 2.72Å; D204-R207 VanDerWaalsContact CA-NH2 3.3Å; D204-R207 PolarHBondContact O-N 2.87Å; D204-R207 IonicContact OD1-CZ 2.71Å; D204-R207 IonicContact OD1-NH1 3.67Å; D204-R207 PolarHBondContact OD1-NH1 2.99Å; D204-R207 IonicContact OD1-NH2 2.73Å; D204-R207 PolarHBondContact OD1-NH2 3.29Å; Q205-R207 VanDerWaalsContact C-N 3.3Å; Q205-R207 PolarHBondContact O-N 3Å; R207-E209 VanDerWaalsContact C-N 3.25Å; R207-E209 PolarHBondContact O-N 2.73Å; R207-K210 PolarHBondContact O-N 3.36Å; R207-V211 WeakPolarHBondContact O-CG2 3.32Å; R207-V211 PolarHBondContact O-N 3.27Å; R207-E271 WeakPolarHBondContact CD-OE1 3.48Å
208M86.1Confident88.8Confident114 Ų11473.2 Ų73.256%0.56238%0.38SS*.Hα-helixtrans-59.5-38.7175.3-176.9170.561.800111.3D204 Q205 S212D204-M208 VanDerWaalsContact O-CB 3.28Å; D204-M208 WeakPolarHBondContact O-CB 3.36Å; D204-M208 PolarHBondContact O-N 3.06Å; Q205-M208 PolarHBondContact O-N 3.32Å; Q205-M208 VanDerWaalsContact OE1-CE 3.27Å; M208-S212 VanDerWaalsContact O-CB 3.23Å; M208-S212 WeakPolarHBondContact O-CB 3.46Å; M208-S212 PolarHBondContact O-N 2.91Å
209E87.9Confident88.7Confident125 Ų12571.6 Ų71.658%0.58438%0.375SS*.Hα-helixtrans-63.6-49.7173.3-173.3172.7-169.300112Q205 R207 V211 S212 Q213Q205-E209 PolarHBondContact O-N 3.11Å; R207-E209 VanDerWaalsContact C-N 3.25Å; R207-E209 PolarHBondContact O-N 2.73Å; E209-V211 VanDerWaalsContact C-N 3.34Å; E209-V211 PolarHBondContact O-N 2.98Å; E209-S212 PolarHBondContact O-N 3.44Å; E209-Q213 WeakPolarHBondContact O-CB 3.42Å; E209-Q213 PolarHBondContact O-N 3.41Å
210K84.5Confident88.8Confident72 Ų7271.1 Ų71.131%0.31337%0.374SS..Hα-helixtrans-56.8-44.7175-70-179.6-174.7-175.60112.4V206 R207 R214 E270V206-K210 WeakPolarHBondContact O-CG 3.32Å; V206-K210 PolarHBondContact O-N 2.99Å; V206-K210 VanDerWaalsContact O-N 3.09Å; R207-K210 PolarHBondContact O-N 3.36Å; K210-R214 WeakPolarHBondContact O-CB 3.47Å; K210-R214 PolarHBondContact O-N 3.39Å; K210-R214 VanDerWaalsContact O-N 3.1Å; K210-E270 IonicContact NZ-OE1 3.87Å; K210-E270 PolarHBondContact NZ-OE1 2.67Å; K210-E270 IonicContact NZ-OE2 3.79Å; K210-E270 PolarHBondContact NZ-OE2 2.89Å
211V84.9Confident89Confident40 Ų4069.7 Ų69.724%0.24237%0.366CS..Hα-helixtrans-67.3-44178.9171.50000110.8R207 E209 Q213 R214 T215 E271R207-V211 WeakPolarHBondContact O-CG2 3.32Å; R207-V211 PolarHBondContact O-N 3.27Å; E209-V211 VanDerWaalsContact C-N 3.34Å; E209-V211 PolarHBondContact O-N 2.98Å; V211-Q213 PolarHBondContact O-N 2.78Å; V211-R214 PolarHBondContact O-N 2.85Å; V211-T215 PolarHBondContact O-N 3.03Å; V211-T215 PolarHBondContact O-OG1 2.84Å; V211-T215 VanDerWaalsContact O-OG1 3.08Å; V211-E271 VanDerWaalsContact CG2-OE2 3.3Å; V211-E271 WeakPolarHBondContact CG2-OE2 3.26Å
212S88.7Confident89.1Confident78 Ų7871.3 Ų71.355%0.54536%0.363SS..Hα-helixtrans-62.7-41.2177.6-170.20000112.2M208 E209 T215 S216M208-S212 VanDerWaalsContact O-CB 3.23Å; M208-S212 WeakPolarHBondContact O-CB 3.46Å; M208-S212 PolarHBondContact O-N 2.91Å; E209-S212 PolarHBondContact O-N 3.44Å; S212-T215 PolarHBondContact O-N 2.91Å; S212-S216 VanDerWaalsContact O-CB 3.31Å; S212-S216 WeakPolarHBondContact O-CB 3.14Å; S212-S216 PolarHBondContact O-N 3.19Å
213Q88.2Confident89.3Confident103 Ų10369.4 Ų69.448%0.48136%0.357SS..Hα-helixtrans-62.2-47.6176.2-173.7-179.421.200110.8E209 V211 T215 S216 E217 F265E209-Q213 WeakPolarHBondContact O-CB 3.42Å; E209-Q213 PolarHBondContact O-N 3.41Å; V211-Q213 PolarHBondContact O-N 2.78Å; Q213-T215 PolarHBondContact O-N 3.4Å; Q213-S216 PolarHBondContact O-N 2.9Å; Q213-E217 WeakPolarHBondContact O-CG 3.35Å; Q213-E217 PolarHBondContact O-N 3.47Å; Q213-E217 VanDerWaalsContact O-N 3.08Å; Q213-F265 HydrophobicContact CG-CE2 4.23Å; Q213-F265 HydrophobicContact CG-CZ 3.84Å
214R87.6Confident89.7Confident14 Ų1468.3 Ų68.35%0.05335%0.353CS..Hα-helixtrans-57.9-49176.3179.8-176.568.2161.5-5.2112K210 V211 E217 M218 F265 H269 T276 I280K210-R214 WeakPolarHBondContact O-CB 3.47Å; K210-R214 PolarHBondContact O-N 3.39Å; K210-R214 VanDerWaalsContact O-N 3.1Å; V211-R214 PolarHBondContact O-N 2.85Å; R214-E217 PolarHBondContact O-N 2.61Å; R214-M218 VanDerWaalsContact O-CB 3.22Å; R214-M218 WeakPolarHBondContact O-CB 3.5Å; R214-M218 PolarHBondContact O-N 3.15Å; R214-F265 HydrophobicContact CB-CD2 4.1Å; R214-F265 HydrophobicContact CG-CD2 4.24Å; R214-H269 PolarHBondContact NH1-CD2 3.2Å; R214-T276 VanDerWaalsContact NH1-CB 3.28Å; R214-T276 PolarHBondContact NH1-OG1 3.45Å; R214-I280 HydrophobicContact CG-CD1 4.3Å
215T89.2Confident90Very high59 Ų5965.9 Ų65.936%0.36234%0.34SS..Hα-helixtrans-65-41-179.3-58.40000111.8V211 S212 Q213 M218 E219V211-T215 PolarHBondContact O-N 3.03Å; V211-T215 PolarHBondContact O-OG1 2.84Å; V211-T215 VanDerWaalsContact O-OG1 3.08Å; S212-T215 PolarHBondContact O-N 2.91Å; Q213-T215 PolarHBondContact O-N 3.4Å; T215-M218 PolarHBondContact O-N 2.78Å; T215-E219 WeakPolarHBondContact O-CB 3.36Å; T215-E219 PolarHBondContact O-N 2.77Å
216S91.1Very high90.1Very high73 Ų7365.3 Ų65.351%0.5134%0.339SS..Hα-helixtrans-62.8-44.2178-177.90000112.5S212 Q213 E219 A220S212-S216 VanDerWaalsContact O-CB 3.31Å; S212-S216 WeakPolarHBondContact O-CB 3.14Å; S212-S216 PolarHBondContact O-N 3.19Å; Q213-S216 PolarHBondContact O-N 2.9Å; S216-E219 PolarHBondContact O-N 3.49Å; S216-A220 WeakPolarHBondContact O-CB 3.39Å; S216-A220 PolarHBondContact O-N 3.21Å
217E91Very high90.3Very high59 Ų5965.1 Ų65.128%0.27634%0.335SS..Hα-helixtrans-68.9-36.2177.2-70-77.1-179.800112Q213 R214 A220 L221 L261 L262 F265Q213-E217 WeakPolarHBondContact O-CG 3.35Å; Q213-E217 PolarHBondContact O-N 3.47Å; Q213-E217 VanDerWaalsContact O-N 3.08Å; R214-E217 PolarHBondContact O-N 2.61Å; E217-A220 PolarHBondContact O-N 2.88Å; E217-L221 WeakPolarHBondContact O-CB 3.23Å; E217-L221 PolarHBondContact O-N 3.18Å; E217-L261 HydrophobicContact CB-CD2 3.91Å; E217-L261 HydrophobicContact CG-CD2 3.64Å; E217-L262 HydrophobicContact CB-CD2 4.33Å; E217-L262 HydrophobicContact CB-CG 4.41Å; E217-F265 HydrophobicContact CB-CE2 4.04Å; E217-F265 HydrophobicContact CG-CE2 3.93Å; E217-F265 HydrophobicContact CG-CZ 4.48Å
218M91.4Very high90.7Very high19 Ų1962.8 Ų62.89%0.09433%0.326CS..Hα-helixtrans-65-44.6175.3-173.8172.675.300112R214 T215 L221 R222 L262 E279 I280 I283R214-M218 VanDerWaalsContact O-CB 3.22Å; R214-M218 WeakPolarHBondContact O-CB 3.5Å; R214-M218 PolarHBondContact O-N 3.15Å; T215-M218 PolarHBondContact O-N 2.78Å; M218-L221 PolarHBondContact O-N 3.32Å; M218-R222 VanDerWaalsContact O-CB 3.32Å; M218-R222 WeakPolarHBondContact O-CB 3.42Å; M218-R222 PolarHBondContact O-N 2.68Å; M218-L262 HydrophobicContact CB-CD2 3.96Å; M218-E279 VanDerWaalsContact CE-CD 3.4Å; M218-E279 HydrophobicContact CE-CG 4.19Å; M218-E279 VanDerWaalsContact CE-OE2 3.26Å; M218-E279 WeakPolarHBondContact CE-OE2 3.37Å; M218-E279 HydrophobicContact SD-CB 4.37Å; M218-E279 HydrophobicContact SD-CG 3.77Å; M218-I280 HydrophobicContact SD-CG1 3.97Å; M218-I283 HydrophobicContact CG-CD1 3.36Å; M218-I283 HydrophobicContact SD-CD1 3.99Å
219E92.5Very high91Very high112 Ų11260.8 Ų60.852%0.52332%0.315SS..Hα-helixtrans-65.7-42.8174.4-177.5171.2-166.900111.5T215 S216 L221 R222 N223T215-E219 WeakPolarHBondContact O-CB 3.36Å; T215-E219 PolarHBondContact O-N 2.77Å; S216-E219 PolarHBondContact O-N 3.49Å; E219-L221 PolarHBondContact O-N 3.1Å; E219-R222 PolarHBondContact O-N 2.78Å; E219-N223 WeakPolarHBondContact O-CB 3.49Å; E219-N223 VanDerWaalsContact O-CG 3.24Å; E219-N223 PolarHBondContact O-N 3.25Å
220A92.8Very high91.1Very high40 Ų4060.7 Ų60.733%0.33132%0.315SS..Hα-helixtrans-59.9-45.7174.900000112.1S216 E217 N224S216-A220 WeakPolarHBondContact O-CB 3.39Å; S216-A220 PolarHBondContact O-N 3.21Å; E217-A220 PolarHBondContact O-N 2.88Å; A220-N224 VanDerWaalsContact O-CB 3.29Å; A220-N224 WeakPolarHBondContact O-CB 3.47Å; A220-N224 PolarHBondContact O-N 3.46Å; A220-N224 PolarHBondContact O-ND2 3.21Å
221L93.9Very high91.2Very high0 Ų058.2 Ų58.20%031%0.305CS..Hα-helixtrans-63-42.7175.3178.658.5000111.6E217 M218 E219 T225 I255 A258 L262 I283 A287E217-L221 WeakPolarHBondContact O-CB 3.23Å; E217-L221 PolarHBondContact O-N 3.18Å; M218-L221 PolarHBondContact O-N 3.32Å; E219-L221 PolarHBondContact O-N 3.1Å; L221-T225 VanDerWaalsContact O-CB 3.29Å; L221-T225 WeakPolarHBondContact O-CB 3.46Å; L221-T225 PolarHBondContact O-N 2.97Å; L221-T225 PolarHBondContact O-OG1 2.81Å; L221-I255 HydrophobicContact CD1-CB 4.17Å; L221-I255 HydrophobicContact CD1-CG1 4.1Å; L221-I255 HydrophobicContact CD1-CG2 3.83Å; L221-A258 HydrophobicContact CB-CB 4.24Å; L221-A258 HydrophobicContact CD1-CB 4.22Å; L221-L262 HydrophobicContact CB-CD1 3.72Å; L221-L262 HydrophobicContact CD2-CD1 3.43Å; L221-L262 VanDerWaalsContact CD2-CD1 3.43Å; L221-L262 HydrophobicContact CG-CD1 4.19Å; L221-I283 HydrophobicContact CB-CG2 4.2Å; L221-I283 HydrophobicContact CD2-CG2 3.76Å; L221-I283 HydrophobicContact CG-CG2 3.76Å; L221-A287 HydrophobicContact CD1-CB 3.91Å; L221-A287 HydrophobicContact CD2-CB 4.35Å; L221-A287 HydrophobicContact CG-CB 4.33Å
222R94.4Very high91.3Very high124 Ų12456.3 Ų56.347%0.46829%0.294SS..Hα-helixtrans-61.9-49.5178.8-176.6176.7-178.5161.1-1.3111.8M218 E219 T225 I226 E279 I283M218-R222 VanDerWaalsContact O-CB 3.32Å; M218-R222 WeakPolarHBondContact O-CB 3.42Å; M218-R222 PolarHBondContact O-N 2.68Å; E219-R222 PolarHBondContact O-N 2.78Å; R222-T225 WeakPolarHBondContact O-CB 3.17Å; R222-T225 PolarHBondContact O-N 3.1Å; R222-I226 HydrophobicContact CG-CD1 4.03Å; R222-I226 WeakPolarHBondContact O-CG1 3.49Å; R222-I226 PolarHBondContact O-N 3.15Å; R222-E279 IonicContact NH1-OE1 2.72Å; R222-I283 HydrophobicContact CB-CD1 4.42Å; R222-I283 HydrophobicContact CB-CG2 4.35Å
223N94.7Very high91.1Very high83 Ų8355.5 Ų55.544%0.44430%0.298SS..Hα-helixtrans-65.1-44.1-179.4-67.9-11.6000111.4E219 T225 I226 L227E219-N223 WeakPolarHBondContact O-CB 3.49Å; E219-N223 VanDerWaalsContact O-CG 3.24Å; E219-N223 PolarHBondContact O-N 3.25Å; N223-T225 VanDerWaalsContact C-N 3.29Å; N223-T225 PolarHBondContact O-N 3.17Å; N223-I226 PolarHBondContact O-N 3.29Å; N223-L227 WeakPolarHBondContact O-CB 3.46Å; N223-L227 PolarHBondContact O-N 2.93Å
224N93.6Very high90.7Very high39 Ų3954.7 Ų54.721%0.20930%0.3CS..Hα-helixtrans-60.7-38.1173.1-73.6-39.5000112.2A220 L228 L251 I255A220-N224 VanDerWaalsContact O-CB 3.29Å; A220-N224 WeakPolarHBondContact O-CB 3.47Å; A220-N224 PolarHBondContact O-N 3.46Å; A220-N224 PolarHBondContact O-ND2 3.21Å; N224-L228 VanDerWaalsContact O-CB 3.29Å; N224-L228 WeakPolarHBondContact O-CB 3.29Å; N224-L228 PolarHBondContact O-N 2.68Å; N224-L251 WeakPolarHBondContact O-CD2 3.19Å; N224-I255 HydrophobicContact CB-CD1 4.33Å; N224-I255 HydrophobicContact CB-CG1 3.86Å
225T93.6Very high90.1Very high5 Ų556.3 Ų56.33%0.03131%0.306CS..Hα-helixtrans-67.6-43.5178.8-610000111.8L221 R222 N223 E229 K286 A287 V290L221-T225 VanDerWaalsContact O-CB 3.29Å; L221-T225 WeakPolarHBondContact O-CB 3.46Å; L221-T225 PolarHBondContact O-N 2.97Å; L221-T225 PolarHBondContact O-OG1 2.81Å; R222-T225 WeakPolarHBondContact O-CB 3.17Å; R222-T225 PolarHBondContact O-N 3.1Å; N223-T225 VanDerWaalsContact C-N 3.29Å; N223-T225 PolarHBondContact O-N 3.17Å; T225-E229 WeakPolarHBondContact O-CB 3.03Å; T225-E229 PolarHBondContact O-N 3.4Å; T225-K286 HydrophobicContact CG2-CG 3.93Å; T225-A287 HydrophobicContact CG2-CB 4.37Å; T225-V290 HydrophobicContact CG2-CB 4.15Å; T225-V290 HydrophobicContact CG2-CG2 3.75Å
226I93.3Very high89.1Confident88 Ų8858.5 Ų58.545%0.45132%0.315SS..Hα-helixtrans-64.8-48.2177.8-67.1165.4000110.7R222 N223 L228 E229 E230R222-I226 HydrophobicContact CG-CD1 4.03Å; R222-I226 WeakPolarHBondContact O-CG1 3.49Å; R222-I226 PolarHBondContact O-N 3.15Å; N223-I226 PolarHBondContact O-N 3.29Å; I226-L228 VanDerWaalsContact C-N 3.33Å; I226-L228 PolarHBondContact O-N 3.29Å; I226-E229 WeakPolarHBondContact O-CB 3.29Å; I226-E229 PolarHBondContact O-N 3.28Å; I226-E229 VanDerWaalsContact O-N 3.14Å; I226-E230 PolarHBondContact O-N 3.12Å
227L92.7Very high87.9Confident71 Ų7160.3 Ų60.337%0.37232%0.318SS..Hα-helixtrans-63.9-38.6-179.9-18058.1000111.6N223 E230 M231 L251N223-L227 WeakPolarHBondContact O-CB 3.46Å; N223-L227 PolarHBondContact O-N 2.93Å; L227-E230 PolarHBondContact O-N 3.13Å; L227-M231 HydrophobicContact CD1-CG 4.29Å; L227-M231 HydrophobicContact CD1-SD 4.46Å; L227-M231 HydrophobicContact CG-SD 4.42Å; L227-M231 VanDerWaalsContact O-CG 3.29Å; L227-M231 WeakPolarHBondContact O-CG 3.46Å; L227-M231 PolarHBondContact O-N 3.26Å; L227-L251 HydrophobicContact CB-CD2 3.74Å; L227-L251 HydrophobicContact CD2-CD1 4.42Å; L227-L251 HydrophobicContact CD2-CD2 3.87Å; L227-L251 HydrophobicContact CG-CD2 3.61Å
228L92.3Very high86.6Confident0 Ų061.1 Ų61.10%034%0.343CS..Hα-helixtrans-65.6-39.8174-176.560.1000111.6N224 I226 I232 M248 L251 V252 I255 V290 L291 Y294N224-L228 VanDerWaalsContact O-CB 3.29Å; N224-L228 WeakPolarHBondContact O-CB 3.29Å; N224-L228 PolarHBondContact O-N 2.68Å; I226-L228 VanDerWaalsContact C-N 3.33Å; I226-L228 PolarHBondContact O-N 3.29Å; L228-I232 HydrophobicContact CD1-CD1 3.82Å; L228-I232 HydrophobicContact CD1-CG1 4.19Å; L228-I232 HydrophobicContact CD2-CD1 4.37Å; L228-I232 HydrophobicContact CG-CD1 3.64Å; L228-I232 HydrophobicContact CG-CG1 4.43Å; L228-I232 VanDerWaalsContact O-CB 3.28Å; L228-I232 WeakPolarHBondContact O-CB 3.43Å; L228-I232 VanDerWaalsContact O-CD1 3.27Å; L228-I232 WeakPolarHBondContact O-CD1 3.43Å; L228-I232 WeakPolarHBondContact O-CG1 3.41Å; L228-I232 PolarHBondContact O-N 3.41Å; L228-M248 HydrophobicContact CD1-CB 4.04Å; L228-M248 HydrophobicContact CD1-CG 4Å; L228-L251 HydrophobicContact CB-CB 4.33Å; L228-L251 HydrophobicContact CB-CD2 3.86Å; L228-L251 HydrophobicContact CD1-CB 4.37Å; L228-V252 HydrophobicContact CD1-CG2 4.01Å; L228-V252 HydrophobicContact CD2-CG2 3.56Å; L228-V252 HydrophobicContact CG-CG2 4.47Å; L228-I255 HydrophobicContact CB-CD1 4.07Å; L228-I255 HydrophobicContact CD2-CD1 3.48Å; L228-I255 VanDerWaalsContact CD2-CD1 3.48Å; L228-I255 HydrophobicContact CG-CD1 4.42Å; L228-V290 HydrophobicContact CB-CG1 3.96Å; L228-V290 HydrophobicContact CD2-CG1 3.85Å; L228-V290 HydrophobicContact CG-CG1 3.73Å; L228-L291 HydrophobicContact CD2-CD2 4.28Å; L228-Y294 HydrophobicContact CD1-CD2 4.03Å
229E92.3Very high85.6Confident72 Ų7267.4 Ų67.434%0.33637%0.372SS..Hα-helixtrans-63.3-41.4175.7-175.3162.6-143.200112.2T225 I226 I232 G233 K286 V290T225-E229 WeakPolarHBondContact O-CB 3.03Å; T225-E229 PolarHBondContact O-N 3.4Å; I226-E229 WeakPolarHBondContact O-CB 3.29Å; I226-E229 PolarHBondContact O-N 3.28Å; I226-E229 VanDerWaalsContact O-N 3.14Å; E229-I232 PolarHBondContact O-N 2.91Å; E229-G233 PolarHBondContact O-N 3.11Å; E229-K286 VanDerWaalsContact CD-NZ 3.33Å; E229-K286 WeakPolarHBondContact OE1-CE 3.17Å; E229-K286 IonicContact OE1-NZ 2.67Å; E229-K286 PolarHBondContact OE1-NZ 2.88Å; E229-K286 WeakPolarHBondContact OE2-CE 3.3Å; E229-K286 IonicContact OE2-NZ 2.65Å; E229-K286 PolarHBondContact OE2-NZ 3.27Å; E229-V290 HydrophobicContact CB-CG1 4.06Å; E229-V290 HydrophobicContact CB-CG2 3.9Å; E229-V290 HydrophobicContact CG-CG2 4.26Å
230E90.3Very high84.6Confident123 Ų12363.2 Ų63.258%0.57536%0.355SS*.Hα-helixtrans-62.8-50.7175.2-174.7178.8174.500111.8I226 L227 I232 G233 T234I226-E230 PolarHBondContact O-N 3.12Å; L227-E230 PolarHBondContact O-N 3.13Å; E230-I232 VanDerWaalsContact C-N 3.28Å; E230-I232 PolarHBondContact O-N 3.43Å; E230-G233 CarbonylContact O-C 3.57Å; E230-G233 VanDerWaalsContact O-CA 3.3Å; E230-G233 WeakPolarHBondContact O-CA 3.29Å; E230-G233 PolarHBondContact O-N 3.39Å; E230-T234 PolarHBondContact O-N 3.22Å; E230-T234 PolarHBondContact O-OG1 2.77Å
231M86.8Confident83.9Confident20 Ų2064.7 Ų64.710%0.09936%0.36CS..Hα-helixtrans-62.3-34.8178.3-66.8-176.282.600112.5L227 G233 T234 Y235 E244 L247 M248L227-M231 HydrophobicContact CD1-CG 4.29Å; L227-M231 HydrophobicContact CD1-SD 4.46Å; L227-M231 HydrophobicContact CG-SD 4.42Å; L227-M231 VanDerWaalsContact O-CG 3.29Å; L227-M231 WeakPolarHBondContact O-CG 3.46Å; L227-M231 PolarHBondContact O-N 3.26Å; M231-G233 VanDerWaalsContact C-N 3.27Å; M231-G233 PolarHBondContact O-N 2.98Å; M231-T234 PolarHBondContact O-OG1 2.7Å; M231-Y235 WeakPolarHBondContact O-CB 3.41Å; M231-Y235 PolarHBondContact O-N 3.14Å; M231-E244 HydrophobicContact CE-CB 3.8Å; M231-E244 HydrophobicContact CE-CG 4.07Å; M231-E244 WeakPolarHBondContact CE-O 3.42Å; M231-L247 HydrophobicContact CE-CB 4.1Å; M231-L247 HydrophobicContact CE-CD2 3.76Å; M231-L247 HydrophobicContact CE-CG 4.01Å; M231-L247 HydrophobicContact SD-CD2 3.9Å; M231-L247 HydrophobicContact SD-CG 3.99Å; M231-M248 HydrophobicContact CB-CG 3.65Å; M231-M248 HydrophobicContact CB-SD 3.77Å; M231-M248 HydrophobicContact CE-CG 3.67Å; M231-M248 HydrophobicContact CG-CG 4.31Å; M231-M248 HydrophobicContact SD-CG 3.7Å
232I87.3Confident83.4Confident1 Ų170.1 Ų70.11%0.00539%0.385CS..Hα-helixtrans-70.7-25172.5-71.8166.4000112L228 E229 E230 M248 V290 N293 Y294 K297 I298L228-I232 HydrophobicContact CD1-CD1 3.82Å; L228-I232 HydrophobicContact CD1-CG1 4.19Å; L228-I232 HydrophobicContact CD2-CD1 4.37Å; L228-I232 HydrophobicContact CG-CD1 3.64Å; L228-I232 HydrophobicContact CG-CG1 4.43Å; L228-I232 VanDerWaalsContact O-CB 3.28Å; L228-I232 WeakPolarHBondContact O-CB 3.43Å; L228-I232 VanDerWaalsContact O-CD1 3.27Å; L228-I232 WeakPolarHBondContact O-CD1 3.43Å; L228-I232 WeakPolarHBondContact O-CG1 3.41Å; L228-I232 PolarHBondContact O-N 3.41Å; E229-I232 PolarHBondContact O-N 2.91Å; E230-I232 VanDerWaalsContact C-N 3.28Å; E230-I232 PolarHBondContact O-N 3.43Å; I232-M248 HydrophobicContact CG1-SD 4.35Å; I232-V290 HydrophobicContact CD1-CG1 4Å; I232-N293 HydrophobicContact CG2-CB 4.5Å; I232-Y294 HydrophobicContact CD1-CD2 4.07Å; I232-Y294 HydrophobicContact CD1-CG 4.35Å; I232-Y294 HydrophobicContact CG1-CD2 4.25Å; I232-K297 HydrophobicContact CG2-CD 3.51Å; I232-K297 PolarHBondContact O-NZ 3.41Å; I232-I298 HydrophobicContact CG1-CD1 4.44Å
233G83.3Confident82.9Confident61 Ų6167.2 Ų67.263%0.62939%0.388SS*.Hα-helixtrans-75.7-42.6174.300000113.1E229 E230 M231E229-G233 PolarHBondContact O-N 3.11Å; E230-G233 CarbonylContact O-C 3.57Å; E230-G233 VanDerWaalsContact O-CA 3.3Å; E230-G233 WeakPolarHBondContact O-CA 3.29Å; E230-G233 PolarHBondContact O-N 3.39Å; M231-G233 VanDerWaalsContact C-N 3.27Å; M231-G233 PolarHBondContact O-N 2.98Å
234T80.5Confident82.4Confident86 Ų8666 Ų6653%0.52838%0.38SS..Hα-helixtrans-81.3-13.4178.554.70000113.9E230 M231 L236E230-T234 PolarHBondContact O-N 3.22Å; E230-T234 PolarHBondContact O-OG1 2.77Å; M231-T234 PolarHBondContact O-OG1 2.7Å; T234-L236 PolarHBondContact O-N 3.48Å
235Y75Confident82Confident48 Ų4865.2 Ų65.219%0.18838%0.375CS..  trans-55.399.2179.1-178-104.3000113.5M231 L237 L245 M248 I298M231-Y235 WeakPolarHBondContact O-CB 3.41Å; M231-Y235 PolarHBondContact O-N 3.14Å; Y235-L237 HydrophobicContact CE1-CD1 4.45Å; Y235-L245 HydrophobicContact CE2-CD2 4.26Å; Y235-M248 HydrophobicContact CD2-CE 4.25Å; Y235-I298 HydrophobicContact CD1-CG1 4.25Å; Y235-I298 HydrophobicContact CD2-CD1 4.21Å; Y235-I298 HydrophobicContact CD2-CG1 4.33Å; Y235-I298 HydrophobicContact CE1-CG1 4.08Å; Y235-I298 HydrophobicContact CE2-CD1 4.44Å; Y235-I298 HydrophobicContact CE2-CG1 4.18Å; Y235-I298 HydrophobicContact CG-CD1 4.32Å; Y235-I298 HydrophobicContact CG-CG1 4.37Å
236L68.3Low81.8Confident104 Ų10471 Ų7155%0.54540%0.401SS..  trans-96.8130.3170.9-72.1172.1000109.9T234 G238 E239T234-L236 PolarHBondContact O-N 3.48Å; L236-G238 PolarHBondContact O-N 3.44Å; L236-E239 HydrophobicContact CB-CB 4.11Å; L236-E239 VanDerWaalsContact CD1-OE2 3.26Å; L236-E239 WeakPolarHBondContact CD1-OE2 3.28Å; L236-E239 PolarHBondContact O-N 2.94Å; L236-E239 VanDerWaalsContact O-N 3.12Å
237L65.7Low81.6Confident112 Ų11270.2 Ų70.259%0.58640%0.398SS*.THydrogen-bonded Turntrans-67.293.5-170.7-176.168.9000111.8Y235Y235-L237 HydrophobicContact CE1-CD1 4.45Å
238G63.3Low81.5Confident76 Ų7666.9 Ų66.978%0.78438%0.38SS*.THydrogen-bonded Turntrans108.8-2.4178.300000115.1L236L236-G238 PolarHBondContact O-N 3.44Å
239E70.2Confident81.3Confident150 Ų15070 Ų7070%0.70140%0.398SS*.THydrogen-bonded Turntrans-104.6-25.2176.5-65.3-17616900113.1L236 T241L236-E239 HydrophobicContact CB-CB 4.11Å; L236-E239 VanDerWaalsContact CD1-OE2 3.26Å; L236-E239 WeakPolarHBondContact CD1-OE2 3.28Å; L236-E239 PolarHBondContact O-N 2.94Å; L236-E239 VanDerWaalsContact O-N 3.12Å; E239-T241 PolarHBondContact O-N 2.96Å
240S72.5Confident81.3Confident24 Ų2471.8 Ų71.817%0.16841%0.406CS..SBendtrans-62133.4175.7-76.50000112.8E244S240-E244 WeakPolarHBondContact CA-OE2 3.47Å; S240-E244 WeakPolarHBondContact CB-OE2 3.37Å; S240-E244 PolarHBondContact OG-OE2 3.47Å
241T78.8Confident81.4Confident72 Ų7266.2 Ų66.244%0.44238%0.38SS..  trans-73156.6-18064.40000112.2E239 A243 E244 L245E239-T241 PolarHBondContact O-N 2.96Å; T241-A243 PolarHBondContact O-N 2.67Å; T241-E244 WeakPolarHBondContact CB-OE1 3.48Å; T241-E244 WeakPolarHBondContact CG2-OE1 3.46Å; T241-E244 VanDerWaalsContact N-CD 3.33Å; T241-E244 PolarHBondContact N-OE1 3.12Å; T241-E244 VanDerWaalsContact N-OE1 3.13Å; T241-E244 PolarHBondContact N-OE2 2.68Å; T241-E244 WeakPolarHBondContact O-CB 3.48Å; T241-E244 PolarHBondContact O-N 3.43Å; T241-E244 VanDerWaalsContact O-N 3.08Å; T241-E244 VanDerWaalsContact OG1-CD 3.24Å; T241-E244 WeakPolarHBondContact OG1-CG 2.94Å; T241-E244 PolarHBondContact OG1-N 2.74Å; T241-E244 PolarHBondContact OG1-OE1 2.97Å; T241-L245 PolarHBondContact O-N 2.81Å
242E81.6Confident81.6Confident113 Ų11365.3 Ų65.353%0.52838%0.375SS..Hα-helixtrans-62-32175.9-17162.8-16500111.3E244 L245 E246E242-E244 VanDerWaalsContact C-N 3.33Å; E242-E244 PolarHBondContact O-N 3.4Å; E242-L245 CarbonylContact O-C 3.57Å; E242-L245 WeakPolarHBondContact O-CA 3.3Å; E242-L245 WeakPolarHBondContact O-CB 3.3Å; E242-L245 PolarHBondContact O-N 2.94Å; E242-L245 WeakPolarHBondContact OE2-CD1 3.48Å; E242-E246 WeakPolarHBondContact O-CG 3.36Å; E242-E246 PolarHBondContact O-N 3Å
243A84Confident81.9Confident63 Ų6367.5 Ų67.552%0.52139%0.385SS..Hα-helixtrans-61-37.7173.400000112.7T241 L247T241-A243 PolarHBondContact O-N 2.67Å; A243-L247 VanDerWaalsContact O-CB 3.25Å; A243-L247 WeakPolarHBondContact O-CB 3.31Å; A243-L247 PolarHBondContact O-N 2.97Å
244E86.1Confident82.3Confident59 Ų5966.6 Ų66.628%0.27637%0.366SS..Hα-helixtrans-66.8-36.2171.9-70.2151.1-127.300112M231 S240 T241 E242 M248M231-E244 HydrophobicContact CE-CB 3.8Å; M231-E244 HydrophobicContact CE-CG 4.07Å; M231-E244 WeakPolarHBondContact CE-O 3.42Å; S240-E244 WeakPolarHBondContact CA-OE2 3.47Å; S240-E244 WeakPolarHBondContact CB-OE2 3.37Å; S240-E244 PolarHBondContact OG-OE2 3.47Å; T241-E244 WeakPolarHBondContact CB-OE1 3.48Å; T241-E244 WeakPolarHBondContact CG2-OE1 3.46Å; T241-E244 VanDerWaalsContact N-CD 3.33Å; T241-E244 PolarHBondContact N-OE1 3.12Å; T241-E244 VanDerWaalsContact N-OE1 3.13Å; T241-E244 PolarHBondContact N-OE2 2.68Å; T241-E244 WeakPolarHBondContact O-CB 3.48Å; T241-E244 PolarHBondContact O-N 3.43Å; T241-E244 VanDerWaalsContact O-N 3.08Å; T241-E244 VanDerWaalsContact OG1-CD 3.24Å; T241-E244 WeakPolarHBondContact OG1-CG 2.94Å; T241-E244 PolarHBondContact OG1-N 2.74Å; T241-E244 PolarHBondContact OG1-OE1 2.97Å; E242-E244 VanDerWaalsContact C-N 3.33Å; E242-E244 PolarHBondContact O-N 3.4Å; E244-M248 HydrophobicContact CB-CE 4.41Å; E244-M248 WeakPolarHBondContact O-CB 3.42Å; E244-M248 WeakPolarHBondContact O-CE 3.4Å; E244-M248 WeakPolarHBondContact O-CG 3.5Å; E244-M248 PolarHBondContact O-N 2.87Å
245L85Confident82.9Confident21 Ų2162.5 Ų62.511%0.1134%0.341CS..Hα-helixtrans-71.2-34.6177-75.5169.3000112.9Y235 T241 E242 M248 N249 I298Y235-L245 HydrophobicContact CE2-CD2 4.26Å; T241-L245 PolarHBondContact O-N 2.81Å; E242-L245 CarbonylContact O-C 3.57Å; E242-L245 WeakPolarHBondContact O-CA 3.3Å; E242-L245 WeakPolarHBondContact O-CB 3.3Å; E242-L245 PolarHBondContact O-N 2.94Å; E242-L245 WeakPolarHBondContact OE2-CD1 3.48Å; L245-M248 HydrophobicContact CD2-CE 3.97Å; L245-M248 HydrophobicContact CG-CE 4.48Å; L245-N249 WeakPolarHBondContact O-CB 3.46Å; L245-N249 PolarHBondContact O-N 2.87Å; L245-I298 HydrophobicContact CD2-CG2 4.02Å
246E87.9Confident83.7Confident126 Ų12665.4 Ų65.459%0.58935%0.352SS*.Hα-helixtrans-68.2-49.6171.7-72.7-178.3163.600110.7E242 M248 N249 E250E242-E246 WeakPolarHBondContact O-CG 3.36Å; E242-E246 PolarHBondContact O-N 3Å; E246-M248 PolarHBondContact O-N 3.47Å; E246-N249 WeakPolarHBondContact O-CB 3.39Å; E246-N249 PolarHBondContact O-N 3.33Å; E246-E250 PolarHBondContact O-N 3.47Å
247L90.5Very high84.8Confident72 Ų7267.4 Ų67.438%0.37735%0.352SS..Hα-helixtrans-58.8-48177.717960.2000111.9M231 A243 N249 E250 L251M231-L247 HydrophobicContact CE-CB 4.1Å; M231-L247 HydrophobicContact CE-CD2 3.76Å; M231-L247 HydrophobicContact CE-CG 4.01Å; M231-L247 HydrophobicContact SD-CD2 3.9Å; M231-L247 HydrophobicContact SD-CG 3.99Å; A243-L247 VanDerWaalsContact O-CB 3.25Å; A243-L247 WeakPolarHBondContact O-CB 3.31Å; A243-L247 PolarHBondContact O-N 2.97Å; L247-N249 PolarHBondContact O-N 3.49Å; L247-E250 WeakPolarHBondContact O-CB 3.25Å; L247-E250 PolarHBondContact O-N 3.41Å; L247-E250 VanDerWaalsContact O-N 3.12Å; L247-L251 HydrophobicContact CD1-CD1 3.49Å; L247-L251 VanDerWaalsContact CD1-CD1 3.49Å; L247-L251 HydrophobicContact CG-CD1 3.87Å; L247-L251 WeakPolarHBondContact O-CD1 3.35Å; L247-L251 PolarHBondContact O-N 3.19Å
248M89.1Confident85.9Confident1 Ų162.5 Ų62.51%0.00533%0.328CS..Hα-helixtrans-58.7-35.7174.8-78-172.9-82.300112.8L228 M231 I232 Y235 E244 L245 E246 V252 Y294 I298L228-M248 HydrophobicContact CD1-CB 4.04Å; L228-M248 HydrophobicContact CD1-CG 4Å; M231-M248 HydrophobicContact CB-CG 3.65Å; M231-M248 HydrophobicContact CB-SD 3.77Å; M231-M248 HydrophobicContact CE-CG 3.67Å; M231-M248 HydrophobicContact CG-CG 4.31Å; M231-M248 HydrophobicContact SD-CG 3.7Å; I232-M248 HydrophobicContact CG1-SD 4.35Å; Y235-M248 HydrophobicContact CD2-CE 4.25Å; E244-M248 HydrophobicContact CB-CE 4.41Å; E244-M248 WeakPolarHBondContact O-CB 3.42Å; E244-M248 WeakPolarHBondContact O-CE 3.4Å; E244-M248 WeakPolarHBondContact O-CG 3.5Å; E244-M248 PolarHBondContact O-N 2.87Å; L245-M248 HydrophobicContact CD2-CE 3.97Å; L245-M248 HydrophobicContact CG-CE 4.48Å; E246-M248 PolarHBondContact O-N 3.47Å; M248-V252 WeakPolarHBondContact O-CB 3.41Å; M248-V252 WeakPolarHBondContact O-CG2 3.26Å; M248-V252 PolarHBondContact O-N 3.16Å; M248-Y294 HydrophobicContact CB-CE2 3.86Å; M248-Y294 HydrophobicContact SD-CE2 4.38Å; M248-I298 HydrophobicContact CE-CD1 3.86Å; M248-I298 HydrophobicContact SD-CD1 3.5Å; M248-I298 WeakPolarHBondContact SD-CD1 3.44Å
249N89.8Confident87Confident67 Ų6761.9 Ų61.936%0.35830%0.302SS..Hα-helixtrans-70.6-36.8177.3-170.822.5000111.7L245 E246 L247 V252 Q253L245-N249 WeakPolarHBondContact O-CB 3.46Å; L245-N249 PolarHBondContact O-N 2.87Å; E246-N249 WeakPolarHBondContact O-CB 3.39Å; E246-N249 PolarHBondContact O-N 3.33Å; L247-N249 PolarHBondContact O-N 3.49Å; N249-V252 PolarHBondContact O-N 2.93Å; N249-Q253 WeakPolarHBondContact O-CG 3.22Å; N249-Q253 PolarHBondContact O-N 2.9Å
250E91.9Very high87.8Confident109 Ų10958.7 Ų58.751%0.50929%0.294SS..Hα-helixtrans-62.4-48.6172.3-166.2-173.2145.600111.3E246 L247 V252 Q253 N254E246-E250 PolarHBondContact O-N 3.47Å; L247-E250 WeakPolarHBondContact O-CB 3.25Å; L247-E250 PolarHBondContact O-N 3.41Å; L247-E250 VanDerWaalsContact O-N 3.12Å; E250-V252 VanDerWaalsContact C-N 3.32Å; E250-V252 PolarHBondContact O-N 2.92Å; E250-Q253 WeakPolarHBondContact O-CB 3.25Å; E250-Q253 PolarHBondContact O-N 2.82Å; E250-N254 PolarHBondContact O-N 2.55Å
251L92.1Very high88.5Confident6 Ų660.3 Ų60.33%0.03130%0.301CS..Hα-helixtrans-56.7-45.4175.2-89.675.5000111.8N224 L227 L228 L247 Q253 N254 I255N224-L251 WeakPolarHBondContact O-CD2 3.19Å; L227-L251 HydrophobicContact CB-CD2 3.74Å; L227-L251 HydrophobicContact CD2-CD1 4.42Å; L227-L251 HydrophobicContact CD2-CD2 3.87Å; L227-L251 HydrophobicContact CG-CD2 3.61Å; L228-L251 HydrophobicContact CB-CB 4.33Å; L228-L251 HydrophobicContact CB-CD2 3.86Å; L228-L251 HydrophobicContact CD1-CB 4.37Å; L247-L251 HydrophobicContact CD1-CD1 3.49Å; L247-L251 VanDerWaalsContact CD1-CD1 3.49Å; L247-L251 HydrophobicContact CG-CD1 3.87Å; L247-L251 WeakPolarHBondContact O-CD1 3.35Å; L247-L251 PolarHBondContact O-N 3.19Å; L251-Q253 VanDerWaalsContact C-N 3.29Å; L251-Q253 PolarHBondContact O-N 2.73Å; L251-N254 PolarHBondContact O-N 3.28Å; L251-N254 VanDerWaalsContact O-N 3.16Å; L251-I255 WeakPolarHBondContact O-CB 3.44Å; L251-I255 VanDerWaalsContact O-CG1 3.25Å; L251-I255 WeakPolarHBondContact O-CG1 3.46Å; L251-I255 PolarHBondContact O-N 3.43Å
252V91.8Very high88.8Confident0 Ų056.9 Ų56.90%028%0.28CS..Hα-helixtrans-59.3-38.9176.1163.70000112L228 M248 N249 E250 R256 L291 Y294L228-V252 HydrophobicContact CD1-CG2 4.01Å; L228-V252 HydrophobicContact CD2-CG2 3.56Å; L228-V252 HydrophobicContact CG-CG2 4.47Å; M248-V252 WeakPolarHBondContact O-CB 3.41Å; M248-V252 WeakPolarHBondContact O-CG2 3.26Å; M248-V252 PolarHBondContact O-N 3.16Å; N249-V252 PolarHBondContact O-N 2.93Å; E250-V252 VanDerWaalsContact C-N 3.32Å; E250-V252 PolarHBondContact O-N 2.92Å; V252-R256 VanDerWaalsContact CG1-CZ 3.48Å; V252-R256 VanDerWaalsContact CG1-NH1 3.3Å; V252-R256 WeakPolarHBondContact O-CB 3.38Å; V252-R256 VanDerWaalsContact O-CG 3.27Å; V252-R256 WeakPolarHBondContact O-CG 3.27Å; V252-R256 PolarHBondContact O-N 3.38Å; V252-R256 VanDerWaalsContact O-N 3.12Å; V252-L291 HydrophobicContact CB-CD2 4.15Å; V252-L291 HydrophobicContact CG1-CD2 3.83Å; V252-L291 HydrophobicContact CG2-CD2 3.93Å; V252-Y294 HydrophobicContact CB-CE1 4.4Å; V252-Y294 HydrophobicContact CG1-CD1 4.34Å; V252-Y294 HydrophobicContact CG1-CE1 4.23Å; V252-Y294 HydrophobicContact CG2-CD1 3.55Å; V252-Y294 HydrophobicContact CG2-CD2 3.88Å; V252-Y294 HydrophobicContact CG2-CE1 3.67Å; V252-Y294 HydrophobicContact CG2-CE2 4.02Å; V252-Y294 HydrophobicContact CG2-CG 3.65Å
253Q92Very high88.9Confident47 Ų4756.1 Ų56.122%0.2227%0.273CS..Hα-helixtrans-68.4-42.8174.1-69.4178.639.400111.9N249 E250 L251 R256 R257N249-Q253 WeakPolarHBondContact O-CG 3.22Å; N249-Q253 PolarHBondContact O-N 2.9Å; E250-Q253 WeakPolarHBondContact O-CB 3.25Å; E250-Q253 PolarHBondContact O-N 2.82Å; L251-Q253 VanDerWaalsContact C-N 3.29Å; L251-Q253 PolarHBondContact O-N 2.73Å; Q253-R256 PolarHBondContact O-N 3.38Å; Q253-R257 WeakPolarHBondContact O-CG 3.37Å; Q253-R257 PolarHBondContact O-N 3.31Å
254N92.4Very high88.8Confident43 Ų4355.5 Ų55.523%0.2326%0.264CS..Hα-helixtrans-64.2-43.9-180-67.5-14.2000111.4E250 L251 R256 R257 A258E250-N254 PolarHBondContact O-N 2.55Å; L251-N254 PolarHBondContact O-N 3.28Å; L251-N254 VanDerWaalsContact O-N 3.16Å; N254-R256 VanDerWaalsContact C-N 3.32Å; N254-R256 PolarHBondContact O-N 3.26Å; N254-R257 PolarHBondContact O-N 2.9Å; N254-R257 VanDerWaalsContact O-N 3.13Å; N254-R257 PolarHBondContact OD1-NH1 3.25Å; N254-A258 WeakPolarHBondContact O-CB 3.35Å; N254-A258 PolarHBondContact O-N 3.38Å
255I93Very high88.6Confident0 Ų054 Ų540%026%0.257CS..Hα-helixtrans-61.5-39173.5-65.6167.2000111.4L221 N224 L228 L251 R259 A287 L291L221-I255 HydrophobicContact CD1-CB 4.17Å; L221-I255 HydrophobicContact CD1-CG1 4.1Å; L221-I255 HydrophobicContact CD1-CG2 3.83Å; N224-I255 HydrophobicContact CB-CD1 4.33Å; N224-I255 HydrophobicContact CB-CG1 3.86Å; L228-I255 HydrophobicContact CB-CD1 4.07Å; L228-I255 HydrophobicContact CD2-CD1 3.48Å; L228-I255 VanDerWaalsContact CD2-CD1 3.48Å; L228-I255 HydrophobicContact CG-CD1 4.42Å; L251-I255 WeakPolarHBondContact O-CB 3.44Å; L251-I255 VanDerWaalsContact O-CG1 3.25Å; L251-I255 WeakPolarHBondContact O-CG1 3.46Å; L251-I255 PolarHBondContact O-N 3.43Å; I255-R259 PolarHBondContact O-N 3.1Å; I255-A287 HydrophobicContact CG2-CB 3.85Å; I255-L291 HydrophobicContact CG2-CD1 3.63Å; I255-L291 HydrophobicContact CG2-CD2 4.29Å; I255-L291 HydrophobicContact CG2-CG 3.89Å
256R90.8Very high88Confident109 Ų10954.6 Ų54.641%0.41126%0.263SS..Hα-helixtrans-68.6-29.2175.2-75.7176.8-177.2148.2-1.5113.3V252 Q253 N254 P260 L291 E295V252-R256 VanDerWaalsContact CG1-CZ 3.48Å; V252-R256 VanDerWaalsContact CG1-NH1 3.3Å; V252-R256 WeakPolarHBondContact O-CB 3.38Å; V252-R256 VanDerWaalsContact O-CG 3.27Å; V252-R256 WeakPolarHBondContact O-CG 3.27Å; V252-R256 PolarHBondContact O-N 3.38Å; V252-R256 VanDerWaalsContact O-N 3.12Å; Q253-R256 PolarHBondContact O-N 3.38Å; N254-R256 VanDerWaalsContact C-N 3.32Å; N254-R256 PolarHBondContact O-N 3.26Å; R256-P260 VanDerWaalsContact O-CD 3.25Å; R256-P260 WeakPolarHBondContact O-CD 3.44Å; R256-L291 HydrophobicContact CG-CD1 4.08Å; R256-E295 IonicContact CZ-OE1 2.67Å; R256-E295 IonicContact NH2-OE1 2.74Å; R256-E295 PolarHBondContact NH2-OE1 3.34Å
257R91.5Very high87.2Confident145 Ų14555.9 Ų55.955%0.54727%0.273SS..Hα-helixtrans-79.2-41.4175.2-69.6177.4-169.1111.55.3113.1Q253 N254 P260Q253-R257 WeakPolarHBondContact O-CG 3.37Å; Q253-R257 PolarHBondContact O-N 3.31Å; N254-R257 PolarHBondContact O-N 2.9Å; N254-R257 VanDerWaalsContact O-N 3.13Å; N254-R257 PolarHBondContact OD1-NH1 3.25Å; R257-P260 WeakPolarHBondContact O-CD 3.35Å
258A89.2Confident86.1Confident10 Ų1057 Ų578%0.08328%0.283CS..Hα-helixtrans-74.9-32.2-174.800000113.6L221 N254 L261 L262L221-A258 HydrophobicContact CB-CB 4.24Å; L221-A258 HydrophobicContact CD1-CB 4.22Å; N254-A258 WeakPolarHBondContact O-CB 3.35Å; N254-A258 PolarHBondContact O-N 3.38Å; A258-L261 WeakPolarHBondContact O-CB 3.5Å; A258-L261 PolarHBondContact O-N 3.3Å; A258-L262 PolarHBondContact O-N 2.87Å
259R87.7Confident84.7Confident63 Ų6359 Ų5924%0.23829%0.292CS..Hα-helixtrans-60.2-49.8-177.2-145.7-167.7-31.7162.322.9113.7I255 L261 L262 Y263 C284 S288I255-R259 PolarHBondContact O-N 3.1Å; R259-L261 VanDerWaalsContact C-N 3.28Å; R259-L261 PolarHBondContact O-N 2.81Å; R259-L262 PolarHBondContact O-N 3.47Å; R259-Y263 HydrophobicContact CG-CD2 4.31Å; R259-Y263 HydrophobicContact CG-CE2 3.9Å; R259-Y263 WeakPolarHBondContact O-CD2 3.48Å; R259-Y263 PolarHBondContact O-N 2.76Å; R259-C284 HydrophobicContact CG-CB 3.92Å; R259-S288 PolarHBondContact NH1-OG 2.86Å
260P86.7Confident83.2Confident83 Ų8360.9 Ų60.954%0.53930%0.299SS..Hα-helixtrans-63.7-33.8176-21.434.7000112.7R256 R257 Y263 S264R256-P260 VanDerWaalsContact O-CD 3.25Å; R256-P260 WeakPolarHBondContact O-CD 3.44Å; R257-P260 WeakPolarHBondContact O-CD 3.35Å; P260-Y263 PolarHBondContact O-N 3.18Å; P260-S264 WeakPolarHBondContact O-CB 3.23Å; P260-S264 PolarHBondContact O-N 3.28Å
261L86.7Confident81.5Confident57 Ų5758.9 Ų58.930%0.29829%0.29SS..Hα-helixtrans-66.5-44.8178.6-178.1146.7000111.2E217 A258 R259 S264 F265E217-L261 HydrophobicContact CB-CD2 3.91Å; E217-L261 HydrophobicContact CG-CD2 3.64Å; A258-L261 WeakPolarHBondContact O-CB 3.5Å; A258-L261 PolarHBondContact O-N 3.3Å; R259-L261 VanDerWaalsContact C-N 3.28Å; R259-L261 PolarHBondContact O-N 2.81Å; L261-S264 WeakPolarHBondContact O-CB 3.43Å; L261-S264 PolarHBondContact O-N 2.97Å; L261-S264 VanDerWaalsContact O-N 3.12Å; L261-S264 PolarHBondContact O-OG 3.09Å; L261-F265 HydrophobicContact CD2-CD2 4.04Å; L261-F265 HydrophobicContact CD2-CE1 4.25Å; L261-F265 HydrophobicContact CD2-CE2 3.4Å; L261-F265 VanDerWaalsContact CD2-CE2 3.4Å; L261-F265 HydrophobicContact CD2-CZ 3.52Å; L261-F265 HydrophobicContact CG-CE2 4.44Å; L261-F265 HydrophobicContact CG-CZ 4.16Å; L261-F265 PolarHBondContact O-N 3.04Å
262L86.1Confident79.8Confident1 Ų164.2 Ų64.21%0.00531%0.314CS..Hα-helixtrans-66.5-37.6173.9-82.6160.2000113.3E217 M218 L221 A258 R259 S264 F265 S266 I280E217-L262 HydrophobicContact CB-CD2 4.33Å; E217-L262 HydrophobicContact CB-CG 4.41Å; M218-L262 HydrophobicContact CB-CD2 3.96Å; L221-L262 HydrophobicContact CB-CD1 3.72Å; L221-L262 HydrophobicContact CD2-CD1 3.43Å; L221-L262 VanDerWaalsContact CD2-CD1 3.43Å; L221-L262 HydrophobicContact CG-CD1 4.19Å; A258-L262 PolarHBondContact O-N 2.87Å; R259-L262 PolarHBondContact O-N 3.47Å; L262-S264 VanDerWaalsContact C-N 3.3Å; L262-S264 PolarHBondContact O-N 3.11Å; L262-F265 HydrophobicContact CD2-CD2 4.2Å; L262-F265 PolarHBondContact O-N 3.13Å; L262-S266 PolarHBondContact O-N 2.9Å; L262-S266 PolarHBondContact O-OG 3.34Å; L262-I280 HydrophobicContact CB-CG2 4.06Å; L262-I280 HydrophobicContact CD2-CG1 4.36Å
263Y82.7Confident78.7Confident96 Ų9668.2 Ų68.238%0.37634%0.336SS..Hα-helixtrans-62.3-37169.4-77.5-59.6000112.1R259 P260 F265 S266 L267 C284R259-Y263 HydrophobicContact CG-CD2 4.31Å; R259-Y263 HydrophobicContact CG-CE2 3.9Å; R259-Y263 WeakPolarHBondContact O-CD2 3.48Å; R259-Y263 PolarHBondContact O-N 2.76Å; P260-Y263 PolarHBondContact O-N 3.18Å; Y263-F265 VanDerWaalsContact C-N 3.34Å; Y263-S266 WeakPolarHBondContact O-CB 3.46Å; Y263-S266 PolarHBondContact O-N 3.02Å; Y263-L267 WeakPolarHBondContact O-CG 3.43Å; Y263-L267 PolarHBondContact O-N 3.09Å; Y263-L267 VanDerWaalsContact O-N 3.09Å; Y263-C284 HydrophobicContact CE1-CB 4.33Å; Y263-C284 HydrophobicContact CE2-CB 3.99Å; Y263-C284 WeakPolarHBondContact OH-CB 3.07Å
264S82.9Confident78.1Confident50 Ų5072.2 Ų72.235%0.3536%0.357SS..Hα-helixtrans-65.3-36174.784.90000112.4P260 L261 L262 L267 T268P260-S264 WeakPolarHBondContact O-CB 3.23Å; P260-S264 PolarHBondContact O-N 3.28Å; L261-S264 WeakPolarHBondContact O-CB 3.43Å; L261-S264 PolarHBondContact O-N 2.97Å; L261-S264 VanDerWaalsContact O-N 3.12Å; L261-S264 PolarHBondContact O-OG 3.09Å; L262-S264 VanDerWaalsContact C-N 3.3Å; L262-S264 PolarHBondContact O-N 3.11Å; S264-L267 PolarHBondContact O-N 3.44Å; S264-T268 WeakPolarHBondContact O-CB 3.49Å; S264-T268 VanDerWaalsContact O-CG2 3.29Å; S264-T268 WeakPolarHBondContact O-CG2 3.36Å; S264-T268 PolarHBondContact O-N 3.01Å; S264-T268 PolarHBondContact O-OG1 2.72Å
265F80.5Confident77.6Confident28 Ų2877.4 Ų77.412%0.12338%0.38CS..Hα-helixtrans-63.8-47.8171-66.2-16.5000111.3Q213 R214 E217 L261 L262 Y263 L267 T268 H269Q213-F265 HydrophobicContact CG-CE2 4.23Å; Q213-F265 HydrophobicContact CG-CZ 3.84Å; R214-F265 HydrophobicContact CB-CD2 4.1Å; R214-F265 HydrophobicContact CG-CD2 4.24Å; E217-F265 HydrophobicContact CB-CE2 4.04Å; E217-F265 HydrophobicContact CG-CE2 3.93Å; E217-F265 HydrophobicContact CG-CZ 4.48Å; L261-F265 HydrophobicContact CD2-CD2 4.04Å; L261-F265 HydrophobicContact CD2-CE1 4.25Å; L261-F265 HydrophobicContact CD2-CE2 3.4Å; L261-F265 VanDerWaalsContact CD2-CE2 3.4Å; L261-F265 HydrophobicContact CD2-CZ 3.52Å; L261-F265 HydrophobicContact CG-CE2 4.44Å; L261-F265 HydrophobicContact CG-CZ 4.16Å; L261-F265 PolarHBondContact O-N 3.04Å; L262-F265 HydrophobicContact CD2-CD2 4.2Å; L262-F265 PolarHBondContact O-N 3.13Å; Y263-F265 VanDerWaalsContact C-N 3.34Å; F265-L267 PolarHBondContact O-N 3.04Å; F265-L267 VanDerWaalsContact O-N 3.11Å; F265-T268 WeakPolarHBondContact CA-OG1 3.43Å; F265-T268 PolarHBondContact O-N 3.35Å; F265-T268 PolarHBondContact O-OG1 3.34Å; F265-H269 WeakPolarHBondContact O-CB 3.38Å; F265-H269 PolarHBondContact O-N 2.73Å
266S73.3Confident77.1Confident33 Ų3378.4 Ų78.423%0.23139%0.386CS..Hα-helixtrans-56.2-27.8174.7-66.60000114.6L262 Y263 I280L262-S266 PolarHBondContact O-N 2.9Å; L262-S266 PolarHBondContact O-OG 3.34Å; Y263-S266 WeakPolarHBondContact O-CB 3.46Å; Y263-S266 PolarHBondContact O-N 3.02Å; S266-I280 WeakPolarHBondContact OG-CD1 3.31Å; S266-I280 WeakPolarHBondContact OG-CG2 3.1Å
267L71.2Confident76.8Confident153 Ų15377.9 Ų77.980%0.80139%0.391SS*.Hα-helixtrans-86.2-25.4177.7-71.7163.4000113.8Y263 S264 F265Y263-L267 WeakPolarHBondContact O-CG 3.43Å; Y263-L267 PolarHBondContact O-N 3.09Å; Y263-L267 VanDerWaalsContact O-N 3.09Å; S264-L267 PolarHBondContact O-N 3.44Å; F265-L267 PolarHBondContact O-N 3.04Å; F265-L267 VanDerWaalsContact O-N 3.11Å
268T65.8Low76.6Confident96 Ų9674.2 Ų74.259%0.58939%0.385SS*.Hα-helixtrans-105-12-173.452.50000114S264 F265S264-T268 WeakPolarHBondContact O-CB 3.49Å; S264-T268 VanDerWaalsContact O-CG2 3.29Å; S264-T268 WeakPolarHBondContact O-CG2 3.36Å; S264-T268 PolarHBondContact O-N 3.01Å; S264-T268 PolarHBondContact O-OG1 2.72Å; F265-T268 WeakPolarHBondContact CA-OG1 3.43Å; F265-T268 PolarHBondContact O-N 3.35Å; F265-T268 PolarHBondContact O-OG1 3.34Å
269H60.9Low76.6Confident43 Ų4376.6 Ų76.620%0.19939%0.394CS..  trans-77.7133.9-171.4-140.963.8000113.5R214 F265 E271R214-H269 PolarHBondContact NH1-CD2 3.2Å; F265-H269 WeakPolarHBondContact O-CB 3.38Å; F265-H269 PolarHBondContact O-N 2.73Å; H269-E271 VanDerWaalsContact C-N 3.29Å; H269-E271 IonicContact NE2-OE2 2.67Å; H269-E271 PolarHBondContact O-N 2.53Å
270E57Low76.6Confident106 Ų10673.8 Ų73.850%0.49538%0.384SS..SBendtrans-83.7-2.5-174.6-66.6149.7-178.100113N164 K210N164-E270 PolarHBondContact OD1-O 3.47Å; K210-E270 IonicContact NZ-OE1 3.87Å; K210-E270 PolarHBondContact NZ-OE1 2.67Å; K210-E270 IonicContact NZ-OE2 3.79Å; K210-E270 PolarHBondContact NZ-OE2 2.89Å
271E58.2Low76.7Confident68 Ų6870.8 Ų70.832%0.31837%0.369SS..  trans-110.3113.7-177.8-59.4-169.5127.700110.2R207 V211 H269 D273R207-E271 WeakPolarHBondContact CD-OE1 3.48Å; V211-E271 VanDerWaalsContact CG2-OE2 3.3Å; V211-E271 WeakPolarHBondContact CG2-OE2 3.26Å; H269-E271 VanDerWaalsContact C-N 3.29Å; H269-E271 IonicContact NE2-OE2 2.67Å; H269-E271 PolarHBondContact O-N 2.53Å; E271-D273 PolarHBondContact O-N 2.9Å
272Q55.5Low76.9Confident118 Ų11874 Ų7455%0.55138%0.382SS*.  trans-77.745.1-179.4-87.6175-22.400112.8N164 I274N164-Q272 VanDerWaalsContact ND2-CG 3.26Å; N164-Q272 WeakPolarHBondContact ND2-CG 3.46Å; N164-Q272 PolarHBondContact ND2-OE1 3.25Å; Q272-I274 VanDerWaalsContact C-N 3.34Å; Q272-I274 PolarHBondContact O-N 3.37Å
273D69.5Low77.2Confident84 Ų8474.8 Ų74.845%0.44939%0.386SS..  trans-73.691.2170.4-79-12.4000109E271 E275 T276 L277E271-D273 PolarHBondContact O-N 2.9Å; D273-E275 PolarHBondContact O-N 3.49Å; D273-E275 VanDerWaalsContact O-N 3.15Å; D273-T276 HydrophobicContact CB-CG2 3.67Å; D273-T276 VanDerWaalsContact CB-OG1 3.29Å; D273-T276 WeakPolarHBondContact CB-OG1 3.44Å; D273-T276 PolarHBondContact O-N 3.4Å; D273-T276 PolarHBondContact O-OG1 3.04Å; D273-L277 PolarHBondContact O-N 3.4Å
274I78.4Confident77.6Confident131 Ų13170.2 Ų70.267%0.67237%0.368SS*.Hα-helixtrans-51.3-35.2173.4-61.2171.5000110.3Q272 L277 T278Q272-I274 VanDerWaalsContact C-N 3.34Å; Q272-I274 PolarHBondContact O-N 3.37Å; I274-L277 PolarHBondContact O-N 3.32Å; I274-T278 VanDerWaalsContact O-CB 3.25Å; I274-T278 WeakPolarHBondContact O-CB 3.45Å; I274-T278 PolarHBondContact O-N 2.99Å; I274-T278 PolarHBondContact O-OG1 3.46Å
275E81.7Confident78Confident151 Ų15172.8 Ų72.871%0.70638%0.378SS*.Hα-helixtrans-52.5-55.5171.1-158.977.5-169.900111.3D273 L277 T278 E279D273-E275 PolarHBondContact O-N 3.49Å; D273-E275 VanDerWaalsContact O-N 3.15Å; E275-L277 PolarHBondContact O-N 3.31Å; E275-T278 WeakPolarHBondContact O-CB 3.46Å; E275-T278 PolarHBondContact O-N 2.86Å; E275-E279 PolarHBondContact O-N 3Å
276T83.4Confident78.6Confident22 Ų2274.7 Ų74.714%0.13539%0.386CS..Hα-helixtrans-69.6-34.9-177.466.80000112.9R214 D273 T278 E279 I280R214-T276 VanDerWaalsContact NH1-CB 3.28Å; R214-T276 PolarHBondContact NH1-OG1 3.45Å; D273-T276 HydrophobicContact CB-CG2 3.67Å; D273-T276 VanDerWaalsContact CB-OG1 3.29Å; D273-T276 WeakPolarHBondContact CB-OG1 3.44Å; D273-T276 PolarHBondContact O-N 3.4Å; D273-T276 PolarHBondContact O-OG1 3.04Å; T276-T278 VanDerWaalsContact C-N 3.31Å; T276-E279 PolarHBondContact O-N 2.91Å; T276-I280 VanDerWaalsContact O-CG1 3.24Å; T276-I280 WeakPolarHBondContact O-CG1 3.48Å; T276-I280 PolarHBondContact O-N 3.3Å
277L84.8Confident79.5Confident98 Ų9873.1 Ų73.151%0.51338%0.375SS..Hα-helixtrans-65.9-38.1173.1179.961.6000111D273 I274 E275 G281D273-L277 PolarHBondContact O-N 3.4Å; I274-L277 PolarHBondContact O-N 3.32Å; E275-L277 PolarHBondContact O-N 3.31Å; L277-G281 PolarHBondContact O-N 3.28Å
278T86.5Confident80.5Confident67 Ų6767.7 Ų67.741%0.41135%0.35SS..Hα-helixtrans-67.8-41.7175.5-57.60000110.9I274 E275 T276 G281 Q282I274-T278 VanDerWaalsContact O-CB 3.25Å; I274-T278 WeakPolarHBondContact O-CB 3.45Å; I274-T278 PolarHBondContact O-N 2.99Å; I274-T278 PolarHBondContact O-OG1 3.46Å; E275-T278 WeakPolarHBondContact O-CB 3.46Å; E275-T278 PolarHBondContact O-N 2.86Å; T276-T278 VanDerWaalsContact C-N 3.31Å; T278-G281 PolarHBondContact O-N 3.34Å; T278-Q282 WeakPolarHBondContact O-CB 3.16Å; T278-Q282 VanDerWaalsContact O-CG 3.28Å; T278-Q282 WeakPolarHBondContact O-CG 3.2Å; T278-Q282 PolarHBondContact O-N 3.42Å
279E88.4Confident81.8Confident61 Ų6168.6 Ų68.629%0.28535%0.347SS..Hα-helixtrans-63.4-47.5175.7-173174.1-161.600111.7M218 R222 E275 T276 G281 Q282 I283M218-E279 VanDerWaalsContact CE-CD 3.4Å; M218-E279 HydrophobicContact CE-CG 4.19Å; M218-E279 VanDerWaalsContact CE-OE2 3.26Å; M218-E279 WeakPolarHBondContact CE-OE2 3.37Å; M218-E279 HydrophobicContact SD-CB 4.37Å; M218-E279 HydrophobicContact SD-CG 3.77Å; R222-E279 IonicContact NH1-OE1 2.72Å; E275-E279 PolarHBondContact O-N 3Å; T276-E279 PolarHBondContact O-N 2.91Å; E279-G281 VanDerWaalsContact C-N 3.3Å; E279-G281 PolarHBondContact O-N 3.15Å; E279-Q282 PolarHBondContact O-N 2.83Å; E279-I283 HydrophobicContact CG-CD1 3.75Å; E279-I283 HydrophobicContact CG-CG1 4.47Å; E279-I283 WeakPolarHBondContact O-CG1 3.36Å; E279-I283 PolarHBondContact O-N 3.41Å
280I88.6Confident83.3Confident3 Ų366.6 Ų66.62%0.01534%0.338CS..Hα-helixtrans-59.8-42.7175.5-66.5164000110.7R214 M218 L262 S266 T276 I283 C284R214-I280 HydrophobicContact CG-CD1 4.3Å; M218-I280 HydrophobicContact SD-CG1 3.97Å; L262-I280 HydrophobicContact CB-CG2 4.06Å; L262-I280 HydrophobicContact CD2-CG1 4.36Å; S266-I280 WeakPolarHBondContact OG-CD1 3.31Å; S266-I280 WeakPolarHBondContact OG-CG2 3.1Å; T276-I280 VanDerWaalsContact O-CG1 3.24Å; T276-I280 WeakPolarHBondContact O-CG1 3.48Å; T276-I280 PolarHBondContact O-N 3.3Å; I280-I283 PolarHBondContact O-N 2.96Å; I280-C284 WeakPolarHBondContact O-CB 3.32Å; I280-C284 PolarHBondContact O-N 3.27Å; I280-C284 PolarHBondContact O-SG 3.34Å
281G88.7Confident84.9Confident21 Ų2161.9 Ų61.922%0.21632%0.316CS..Hα-helixtrans-57.5-54.2174.200000112.1L277 T278 E279 I283 C284 D285L277-G281 PolarHBondContact O-N 3.28Å; T278-G281 PolarHBondContact O-N 3.34Å; E279-G281 VanDerWaalsContact C-N 3.3Å; E279-G281 PolarHBondContact O-N 3.15Å; G281-I283 VanDerWaalsContact C-N 3.34Å; G281-I283 PolarHBondContact O-N 3.11Å; G281-C284 PolarHBondContact O-N 2.93Å; G281-D285 WeakPolarHBondContact O-CB 3.43Å; G281-D285 VanDerWaalsContact O-CG 3.28Å; G281-D285 PolarHBondContact O-N 2.92Å
282Q91.2Very high86.5Confident125 Ų12561.3 Ų61.358%0.58432%0.324SS*.Hα-helixtrans-58.5-41.6179.4-73.2174.812.200113T278 E279 K286T278-Q282 WeakPolarHBondContact O-CB 3.16Å; T278-Q282 VanDerWaalsContact O-CG 3.28Å; T278-Q282 WeakPolarHBondContact O-CG 3.2Å; T278-Q282 PolarHBondContact O-N 3.42Å; E279-Q282 PolarHBondContact O-N 2.83Å; Q282-K286 WeakPolarHBondContact O-CB 3.4Å; Q282-K286 PolarHBondContact O-N 3.2Å
283I91.1Very high88Confident16 Ų1658.1 Ų58.18%0.08231%0.31CS..Hα-helixtrans-69.4-40.2178.6-66.6169.1000110.6M218 L221 R222 E279 I280 G281 A287M218-I283 HydrophobicContact CG-CD1 3.36Å; M218-I283 HydrophobicContact SD-CD1 3.99Å; L221-I283 HydrophobicContact CB-CG2 4.2Å; L221-I283 HydrophobicContact CD2-CG2 3.76Å; L221-I283 HydrophobicContact CG-CG2 3.76Å; R222-I283 HydrophobicContact CB-CD1 4.42Å; R222-I283 HydrophobicContact CB-CG2 4.35Å; E279-I283 HydrophobicContact CG-CD1 3.75Å; E279-I283 HydrophobicContact CG-CG1 4.47Å; E279-I283 WeakPolarHBondContact O-CG1 3.36Å; E279-I283 PolarHBondContact O-N 3.41Å; I280-I283 PolarHBondContact O-N 2.96Å; G281-I283 VanDerWaalsContact C-N 3.34Å; G281-I283 PolarHBondContact O-N 3.11Å; I283-A287 WeakPolarHBondContact O-CB 3.28Å; I283-A287 PolarHBondContact O-N 2.55Å
284C91.7Very high88.9Confident0 Ų054.9 Ų54.90%029%0.292CS..Hα-helixtrans-67.9-36.7175.9-68.80000112.8R259 Y263 I280 G281 S288R259-C284 HydrophobicContact CG-CB 3.92Å; Y263-C284 HydrophobicContact CE1-CB 4.33Å; Y263-C284 HydrophobicContact CE2-CB 3.99Å; Y263-C284 WeakPolarHBondContact OH-CB 3.07Å; I280-C284 WeakPolarHBondContact O-CB 3.32Å; I280-C284 PolarHBondContact O-N 3.27Å; I280-C284 PolarHBondContact O-SG 3.34Å; G281-C284 PolarHBondContact O-N 2.93Å; C284-S288 WeakPolarHBondContact O-CB 3.49Å; C284-S288 PolarHBondContact O-N 3.24Å; C284-S288 PolarHBondContact O-OG 2.72Å
285D92.2Very high89.4Confident105 Ų10552.7 Ų52.756%0.56128%0.278SS*.Hα-helixtrans-66.9-47.1175.1-72.4-15.4000110.7G281 A287 S288 E289G281-D285 WeakPolarHBondContact O-CB 3.43Å; G281-D285 VanDerWaalsContact O-CG 3.28Å; G281-D285 PolarHBondContact O-N 2.92Å; D285-A287 PolarHBondContact O-N 2.76Å; D285-S288 WeakPolarHBondContact O-CB 3.21Å; D285-S288 PolarHBondContact O-N 2.94Å; D285-S288 VanDerWaalsContact O-N 3.09Å; D285-E289 PolarHBondContact O-N 3Å
286K92.6Very high89.5Confident68 Ų6852.4 Ų52.430%0.29628%0.277SS..Hα-helixtrans-63.2-42.4176.7-176.561.3-171.7174.10112.1T225 E229 Q282 S288 E289 V290T225-K286 HydrophobicContact CG2-CG 3.93Å; E229-K286 VanDerWaalsContact CD-NZ 3.33Å; E229-K286 WeakPolarHBondContact OE1-CE 3.17Å; E229-K286 IonicContact OE1-NZ 2.67Å; E229-K286 PolarHBondContact OE1-NZ 2.88Å; E229-K286 WeakPolarHBondContact OE2-CE 3.3Å; E229-K286 IonicContact OE2-NZ 2.65Å; E229-K286 PolarHBondContact OE2-NZ 3.27Å; Q282-K286 WeakPolarHBondContact O-CB 3.4Å; Q282-K286 PolarHBondContact O-N 3.2Å; K286-S288 PolarHBondContact O-N 3.26Å; K286-E289 VanDerWaalsContact CD-OE2 3.28Å; K286-E289 WeakPolarHBondContact CD-OE2 3.49Å; K286-E289 IonicContact NZ-OE2 2.93Å; K286-E289 PolarHBondContact NZ-OE2 2.97Å; K286-E289 WeakPolarHBondContact O-CB 3.16Å; K286-E289 PolarHBondContact O-N 3.32Å; K286-V290 HydrophobicContact CD-CG2 4.49Å; K286-V290 WeakPolarHBondContact O-CG2 3.4Å; K286-V290 PolarHBondContact O-N 3.25Å
287A93Very high89.3Confident0 Ų055 Ų550%029%0.287CS..Hα-helixtrans-57.9-37.5172.400000112.4L221 T225 I255 I283 D285 L291L221-A287 HydrophobicContact CD1-CB 3.91Å; L221-A287 HydrophobicContact CD2-CB 4.35Å; L221-A287 HydrophobicContact CG-CB 4.33Å; T225-A287 HydrophobicContact CG2-CB 4.37Å; I255-A287 HydrophobicContact CG2-CB 3.85Å; I283-A287 WeakPolarHBondContact O-CB 3.28Å; I283-A287 PolarHBondContact O-N 2.55Å; D285-A287 PolarHBondContact O-N 2.76Å; A287-L291 WeakPolarHBondContact O-CB 3.39Å; A287-L291 WeakPolarHBondContact O-CG 3.14Å; A287-L291 PolarHBondContact O-N 3.39Å; A287-L291 VanDerWaalsContact O-N 3.11Å
288S91.9Very high88.9Confident38 Ų3850.4 Ų50.427%0.26626%0.263SS..Hα-helixtrans-71.8-37.9177.4-56.90000112.3R259 C284 D285 K286 A292R259-S288 PolarHBondContact NH1-OG 2.86Å; C284-S288 WeakPolarHBondContact O-CB 3.49Å; C284-S288 PolarHBondContact O-N 3.24Å; C284-S288 PolarHBondContact O-OG 2.72Å; D285-S288 WeakPolarHBondContact O-CB 3.21Å; D285-S288 PolarHBondContact O-N 2.94Å; D285-S288 VanDerWaalsContact O-N 3.09Å; K286-S288 PolarHBondContact O-N 3.26Å; S288-A292 PolarHBondContact O-N 3.01Å; S288-A292 VanDerWaalsContact O-N 3.11Å
289E92.8Very high88Confident115 Ų11549.2 Ų49.254%0.53726%0.26SS..Hα-helixtrans-60.1-49.4172.4-174.9-169.4-155.800111.6D285 K286 L291 A292 N293D285-E289 PolarHBondContact O-N 3Å; K286-E289 VanDerWaalsContact CD-OE2 3.28Å; K286-E289 WeakPolarHBondContact CD-OE2 3.49Å; K286-E289 IonicContact NZ-OE2 2.93Å; K286-E289 PolarHBondContact NZ-OE2 2.97Å; K286-E289 WeakPolarHBondContact O-CB 3.16Å; K286-E289 PolarHBondContact O-N 3.32Å; E289-L291 PolarHBondContact O-N 2.79Å; E289-A292 PolarHBondContact O-N 3.45Å; E289-N293 PolarHBondContact O-N 3.48Å
290V91.8Very high86.6Confident1 Ų151.2 Ų51.21%0.00627%0.272CS..Hα-helixtrans-65.9-38.2-177.9177.20000111.4T225 L228 E229 I232 K286 N293 Y294T225-V290 HydrophobicContact CG2-CB 4.15Å; T225-V290 HydrophobicContact CG2-CG2 3.75Å; L228-V290 HydrophobicContact CB-CG1 3.96Å; L228-V290 HydrophobicContact CD2-CG1 3.85Å; L228-V290 HydrophobicContact CG-CG1 3.73Å; E229-V290 HydrophobicContact CB-CG1 4.06Å; E229-V290 HydrophobicContact CB-CG2 3.9Å; E229-V290 HydrophobicContact CG-CG2 4.26Å; I232-V290 HydrophobicContact CD1-CG1 4Å; K286-V290 HydrophobicContact CD-CG2 4.49Å; K286-V290 WeakPolarHBondContact O-CG2 3.4Å; K286-V290 PolarHBondContact O-N 3.25Å; V290-N293 WeakPolarHBondContact O-CB 3.29Å; V290-N293 PolarHBondContact O-N 3.01Å; V290-Y294 PolarHBondContact O-N 2.97Å
291L91.3Very high85Confident7 Ų757.1 Ų57.14%0.03729%0.294CS..Hα-helixtrans-62.1-40.9172.4-77.7176.8000112.9L228 V252 I255 R256 A287 E289 N293 Y294 E295L228-L291 HydrophobicContact CD2-CD2 4.28Å; V252-L291 HydrophobicContact CB-CD2 4.15Å; V252-L291 HydrophobicContact CG1-CD2 3.83Å; V252-L291 HydrophobicContact CG2-CD2 3.93Å; I255-L291 HydrophobicContact CG2-CD1 3.63Å; I255-L291 HydrophobicContact CG2-CD2 4.29Å; I255-L291 HydrophobicContact CG2-CG 3.89Å; R256-L291 HydrophobicContact CG-CD1 4.08Å; A287-L291 WeakPolarHBondContact O-CB 3.39Å; A287-L291 WeakPolarHBondContact O-CG 3.14Å; A287-L291 PolarHBondContact O-N 3.39Å; A287-L291 VanDerWaalsContact O-N 3.11Å; E289-L291 PolarHBondContact O-N 2.79Å; L291-N293 VanDerWaalsContact C-N 3.32Å; L291-N293 PolarHBondContact O-N 2.85Å; L291-Y294 WeakPolarHBondContact O-CB 3.46Å; L291-Y294 PolarHBondContact O-N 3.44Å; L291-E295 WeakPolarHBondContact O-CG 3.11Å; L291-E295 PolarHBondContact O-N 3.33Å
292A90.6Very high83.3Confident57 Ų5761.1 Ų61.147%0.47131%0.306SS..Hα-helixtrans-64.2-38.1175.600000111.9S288 E289 E295 Q296S288-A292 PolarHBondContact O-N 3.01Å; S288-A292 VanDerWaalsContact O-N 3.11Å; E289-A292 PolarHBondContact O-N 3.45Å; A292-E295 PolarHBondContact O-N 2.93Å; A292-Q296 WeakPolarHBondContact O-CB 3.35Å; A292-Q296 PolarHBondContact O-N 2.96Å
293N88.2Confident81.2Confident50 Ų5059 Ų5927%0.26731%0.305SS..Hα-helixtrans-65.2-41.5175.3-163.9-0.7000111.8I232 E289 V290 L291 Q296 K297I232-N293 HydrophobicContact CG2-CB 4.5Å; E289-N293 PolarHBondContact O-N 3.48Å; V290-N293 WeakPolarHBondContact O-CB 3.29Å; V290-N293 PolarHBondContact O-N 3.01Å; L291-N293 VanDerWaalsContact C-N 3.32Å; L291-N293 PolarHBondContact O-N 2.85Å; N293-Q296 PolarHBondContact O-N 3.44Å; N293-K297 WeakPolarHBondContact O-CB 3.49Å; N293-K297 PolarHBondContact O-N 3.46Å; N293-K297 WeakPolarHBondContact OD1-CD 3.45Å; N293-K297 WeakPolarHBondContact OD1-CE 3.31Å
294Y89.2Confident78.9Confident17 Ų1762.5 Ų62.57%0.06733%0.33CS..Hα-helixtrans-57.9-51.1173.1179.8-100.6000111.8L228 I232 M248 V252 V290 L291 Q296 K297 I298 A299L228-Y294 HydrophobicContact CD1-CD2 4.03Å; I232-Y294 HydrophobicContact CD1-CD2 4.07Å; I232-Y294 HydrophobicContact CD1-CG 4.35Å; I232-Y294 HydrophobicContact CG1-CD2 4.25Å; M248-Y294 HydrophobicContact CB-CE2 3.86Å; M248-Y294 HydrophobicContact SD-CE2 4.38Å; V252-Y294 HydrophobicContact CB-CE1 4.4Å; V252-Y294 HydrophobicContact CG1-CD1 4.34Å; V252-Y294 HydrophobicContact CG1-CE1 4.23Å; V252-Y294 HydrophobicContact CG2-CD1 3.55Å; V252-Y294 HydrophobicContact CG2-CD2 3.88Å; V252-Y294 HydrophobicContact CG2-CE1 3.67Å; V252-Y294 HydrophobicContact CG2-CE2 4.02Å; V252-Y294 HydrophobicContact CG2-CG 3.65Å; V290-Y294 PolarHBondContact O-N 2.97Å; L291-Y294 WeakPolarHBondContact O-CB 3.46Å; L291-Y294 PolarHBondContact O-N 3.44Å; Y294-Q296 VanDerWaalsContact C-N 3.31Å; Y294-Q296 PolarHBondContact O-N 2.85Å; Y294-K297 PolarHBondContact O-N 3.08Å; Y294-I298 HydrophobicContact CD2-CB 4.33Å; Y294-I298 HydrophobicContact CD2-CD1 3.7Å; Y294-I298 HydrophobicContact CE2-CB 4.05Å; Y294-I298 HydrophobicContact CE2-CD1 3.61Å; Y294-I298 HydrophobicContact CE2-CG1 4.42Å; Y294-I298 HydrophobicContact CE2-CG2 3.98Å; Y294-I298 PolarHBondContact O-N 2.94Å; Y294-A299 PolarHBondContact O-N 2.91Å
295E87.8Confident76.6Confident84 Ų8467.4 Ų67.439%0.39337%0.365SS..Iπ-helixtrans-63-39.7-178.9-71.5176-17200111.3R256 L291 A292 A299 N300R256-E295 IonicContact CZ-OE1 2.67Å; R256-E295 IonicContact NH2-OE1 2.74Å; R256-E295 PolarHBondContact NH2-OE1 3.34Å; L291-E295 WeakPolarHBondContact O-CG 3.11Å; L291-E295 PolarHBondContact O-N 3.33Å; A292-E295 PolarHBondContact O-N 2.93Å; E295-A299 HydrophobicContact CB-CB 4.38Å; E295-A299 HydrophobicContact CG-CB 4.48Å; E295-A299 WeakPolarHBondContact O-CB 3.35Å; E295-A299 PolarHBondContact O-N 2.96Å; E295-N300 PolarHBondContact O-N 3.46Å; E295-N300 PolarHBondContact O-ND2 2.94Å
296Q84.1Confident74Confident145 Ų14566.6 Ų66.668%0.67837%0.368SS*.Iπ-helixtrans-65.9-43.9177.5-171.6173.3800113.4A292 N293 Y294A292-Q296 WeakPolarHBondContact O-CB 3.35Å; A292-Q296 PolarHBondContact O-N 2.96Å; N293-Q296 PolarHBondContact O-N 3.44Å; Y294-Q296 VanDerWaalsContact C-N 3.31Å; Y294-Q296 PolarHBondContact O-N 2.85Å
297K79.1Confident71.2Confident78 Ų7868.3 Ų68.334%0.33939%0.388SS..Iπ-helixtrans-84.5-40.3-174.6-80.2173167.6-175.30114.4I232 N293 Y294 R301I232-K297 HydrophobicContact CG2-CD 3.51Å; I232-K297 PolarHBondContact O-NZ 3.41Å; N293-K297 WeakPolarHBondContact O-CB 3.49Å; N293-K297 PolarHBondContact O-N 3.46Å; N293-K297 WeakPolarHBondContact OD1-CD 3.45Å; N293-K297 WeakPolarHBondContact OD1-CE 3.31Å; Y294-K297 PolarHBondContact O-N 3.08Å; K297-R301 PolarHBondContact O-NE 3.45Å
298I75.5Confident68.6Low1 Ų175 Ų751%0.00543%0.428CS..Iπ-helixtrans-111.8-49.8-166.3-64.4167.7000111.3I232 Y235 L245 M248 Y294 N300 R301 K302I232-I298 HydrophobicContact CG1-CD1 4.44Å; Y235-I298 HydrophobicContact CD1-CG1 4.25Å; Y235-I298 HydrophobicContact CD2-CD1 4.21Å; Y235-I298 HydrophobicContact CD2-CG1 4.33Å; Y235-I298 HydrophobicContact CE1-CG1 4.08Å; Y235-I298 HydrophobicContact CE2-CD1 4.44Å; Y235-I298 HydrophobicContact CE2-CG1 4.18Å; Y235-I298 HydrophobicContact CG-CD1 4.32Å; Y235-I298 HydrophobicContact CG-CG1 4.37Å; L245-I298 HydrophobicContact CD2-CG2 4.02Å; M248-I298 HydrophobicContact CE-CD1 3.86Å; M248-I298 HydrophobicContact SD-CD1 3.5Å; M248-I298 WeakPolarHBondContact SD-CD1 3.44Å; Y294-I298 HydrophobicContact CD2-CB 4.33Å; Y294-I298 HydrophobicContact CD2-CD1 3.7Å; Y294-I298 HydrophobicContact CE2-CB 4.05Å; Y294-I298 HydrophobicContact CE2-CD1 3.61Å; Y294-I298 HydrophobicContact CE2-CG1 4.42Å; Y294-I298 HydrophobicContact CE2-CG2 3.98Å; Y294-I298 PolarHBondContact O-N 2.94Å; I298-N300 PolarHBondContact O-N 3.2Å; I298-R301 PolarHBondContact O-N 3.05Å; I298-R301 VanDerWaalsContact O-N 3.1Å; I298-K302 PolarHBondContact O-N 3.37Å
299A67.5Low66.1Low42 Ų4283 Ų8335%0.34746%0.458SS..Iπ-helixtrans-65.2-39.9-175.400000112.7Y294 E295 R301 K302Y294-A299 PolarHBondContact O-N 2.91Å; E295-A299 HydrophobicContact CB-CB 4.38Å; E295-A299 HydrophobicContact CG-CB 4.48Å; E295-A299 WeakPolarHBondContact O-CB 3.35Å; E295-A299 PolarHBondContact O-N 2.96Å; A299-R301 PolarHBondContact O-N 3.1Å; A299-R301 VanDerWaalsContact O-N 3.12Å; A299-K302 PolarHBondContact O-N 3.29Å
300N59.9Low63.4Low102 Ų10287 Ų8755%0.54548%0.477SS..Hα-helixtrans-64.6-11.2175.3-75-29.2000114.8E295 I298 S303 S304E295-N300 PolarHBondContact O-N 3.46Å; E295-N300 PolarHBondContact O-ND2 2.94Å; I298-N300 PolarHBondContact O-N 3.2Å; N300-S303 PolarHBondContact O-OG 3.26Å; N300-S304 PolarHBondContact O-OG 3.48Å
301R55.6Low60.7Low128 Ų12890.5 Ų90.548%0.48351%0.513SS..Hα-helixtrans-98.4-34.3176.8-62.8-163.2-164.5-117.814.2113.8K297 I298 A299 S303 S304K297-R301 PolarHBondContact O-NE 3.45Å; I298-R301 PolarHBondContact O-N 3.05Å; I298-R301 VanDerWaalsContact O-N 3.1Å; A299-R301 PolarHBondContact O-N 3.1Å; A299-R301 VanDerWaalsContact O-N 3.12Å; R301-S303 PolarHBondContact O-N 3.49Å; R301-S304 WeakPolarHBondContact CA-OG 3.32Å; R301-S304 PolarHBondContact O-N 3.03Å; R301-S304 VanDerWaalsContact O-N 3.13Å; R301-S304 PolarHBondContact O-OG 2.89Å
302K53.3Low58.2Low105 Ų10599.3 Ų99.346%0.45755%0.554SS.*Hα-helixtrans-63.6-20.4176.1-71.3-166.2174.3-168.80112.8I298 A299I298-K302 PolarHBondContact O-N 3.37Å; A299-K302 PolarHBondContact O-N 3.29Å
303S46.4Very low55.6Low81 Ų81102.4 Ų102.457%0.56657%0.569SS**THydrogen-bonded Turntrans-89.3-11.9175.352.30000115.4N300 R301N300-S303 PolarHBondContact O-OG 3.26Å; R301-S303 PolarHBondContact O-N 3.49Å
304S43.2Very low53.1Low88 Ų88109.5 Ų109.562%0.61560%0.6SS**THydrogen-bonded Turntrans-110.3-6.4-173.442.10000115N300 R301N300-S304 PolarHBondContact O-OG 3.48Å; R301-S304 WeakPolarHBondContact CA-OG 3.32Å; R301-S304 PolarHBondContact O-N 3.03Å; R301-S304 VanDerWaalsContact O-N 3.13Å; R301-S304 PolarHBondContact O-OG 2.89Å
305S42.4Very low50.8Low103 Ų103117 Ų11772%0.7264%0.638SS**SBendtrans-92.4-10.7177.259.70000115.2
306S38Very low48.3Very low89 Ų89118.4 Ų118.462%0.62266%0.655SS**SBendtrans-105.88.2-169570000115.3
307S34.4Very low46Very low104 Ų104116.7 Ų116.773%0.72766%0.658SS**  trans-15267.7-175.7-77.20000116.1
308V38.5Very low43.7Very low140 Ų140118.3 Ų118.385%0.84868%0.679SS**  trans-145.8108144-175.60000110.3
309K38.7Very low42Very low206 Ų206125.4 Ų125.490%0.89672%0.716SS**  trans-82.8133.4156.9-80.9-176.9176.71770108.8
310H36.1Very low40.5Very low199 Ų199128.7 Ų128.792%0.92173%0.732SS**  trans-1.1121.9166.7-8325.6000118.7
311G34.5Very low39.2Very low74 Ų74130 Ų13076%0.76374%0.739SS**  trans176.6109.816400000112.6
312Q39.9Very low38.1Very low193 Ų193129.2 Ų129.290%0.90274%0.744SS**  trans-48152.4-169.7-67.7163.7-76.800117.4
313P35.6Very low37.3Very low122 Ų122132 Ų13279%0.79276%0.759SS**  trans-82.3140.5175.134.3-33.7000112.2
314H36Very low37Very low199 Ų199133.1 Ų133.192%0.92177%0.767SS**  trans-144.1148.8158.7-122.6-94.6000111.7
315M40.6Very low36.7Very low174 Ų174133.7 Ų133.786%0.85777%0.77SS**  trans-70159.4-163.3-83.9-75.2-179.300115.6
316P35.5Very low36.4Very low114 Ų114134.3 Ų134.374%0.7478%0.775SS**  trans-91.6151.8-173.536.9-34.5000113.6
317S36Very low36.4Very low108 Ų108135.7 Ų135.776%0.75578%0.784SS**  trans-159.5110.6156.955.60000111.8
318S31Very low36.2Very low112 Ų112138.8 Ų138.878%0.78379%0.792SS**  40.5152.7128.6-41.40000122.4
319I39.1Very low36Very low150 Ų150137.4 Ų137.477%0.76979%0.788SS**  trans11394.3149.1-65.8156.7000117.3
320T35.8Very low35.6Very low111 Ų111132.5 Ų132.568%0.68178%0.78SS**  trans74.1114132.464.10000123.4
321N33.1Very low35.5Very low130 Ų130128.9 Ų128.970%0.69578%0.777SS**  68.1136.7115.7-76.847.9000124.5
322D31.1Very low35.4Very low111 Ų111130.8 Ų130.859%0.59478%0.779SS**  trans64.7118.5137.7-54.7-24.9000120.1
323H38.1Very low34.8Very low164 Ų164129.4 Ų129.476%0.75978%0.778SS**  176.4136.485.8-90.9-65.5000113.1
324S39.2Very low34.8Very low105 Ų105132 Ų13273%0.73478%0.779SS**  trans64144.6138.9-57.20000120
325S37.3Very low35.2Very low99 Ų99128.3 Ų128.369%0.69277%0.77SS**  cis-173.4155.80.741.70000111.5
326S36.7Very low35.5Very low117 Ų117124 Ų12482%0.81876%0.755SS**  trans66.4145161.5740000117.8
327S37Very low36.2Very low117 Ų117123.3 Ų123.382%0.81875%0.745SS**  cis-145.1151.713.351.40000112.4
328L30.7Very low37.1Very low170 Ų170124.5 Ų124.589%0.8974%0.742SS**  trans-99142.8178.9-70.385.2000112.2
329S34.7Very low38.5Very low110 Ų110124.6 Ų124.677%0.76973%0.733SS**  trans-170.386.9143.951.20000109.4
330S30.1Very low39.7Very low104 Ų104120.3 Ų120.373%0.72771%0.714SS**  66.392.379.375.30000115.7
331S32.5Very low41.1Very low122 Ų122119.5 Ų119.585%0.85370%0.703SS**  -174.5133.7124.9-82.50000113.8
332S32.3Very low42.6Very low115 Ų115117 Ų11780%0.80469%0.69SS**  trans57.695.5163.7-150.20000119.3
333N28.9Very low44.2Very low164 Ų164115.1 Ų115.188%0.87768%0.679SS**  trans-60.7132.5154.3-59-41.5000109.8
334H35.2Very low45.6Very low177 Ų177113.3 Ų113.382%0.81967%0.672SS**  trans-133113.2150.1-148.9-54000107.7
335V43.3Very low46.8Very low120 Ų120114 Ų11473%0.72767%0.667SS**PPolyproline II helixtrans-66.2128.6168.8-176.60000106.2D337V335-D337 PolarHBondContact O-N 3.14Å
336P47.9Very low47.7Very low84 Ų84115.2 Ų115.255%0.54567%0.666SS.*PPolyproline II helixtrans-67.1127.6169.728.4-31.5000107.7
337D49.7Very low48Very low100 Ų100112.9 Ų112.954%0.53566%0.66SS.*PPolyproline II helixtrans-58.7143.7178.3-170.910.6000109.8V335 L339 T340 Q341V335-D337 PolarHBondContact O-N 3.14Å; D337-L339 PolarHBondContact O-N 3.02Å; D337-L339 VanDerWaalsContact O-N 3.14Å; D337-T340 WeakPolarHBondContact O-CA 3.29Å; D337-T340 VanDerWaalsContact O-CB 3.25Å; D337-T340 WeakPolarHBondContact O-CB 3.5Å; D337-T340 PolarHBondContact O-N 3.46Å; D337-T340 PolarHBondContact O-OG1 3.09Å; D337-Q341 PolarHBondContact O-N 2.6Å
338L55.8Low48.2Very low132 Ų132112.9 Ų112.969%0.69165%0.65SS**Hα-helixtrans-57.3-35.6-172.7-165.374.4000111.1T340 Q341 D342L338-T340 VanDerWaalsContact C-N 3.26Å; L338-T340 PolarHBondContact O-N 3.04Å; L338-Q341 WeakPolarHBondContact O-CB 3.42Å; L338-Q341 PolarHBondContact O-N 2.7Å; L338-Q341 VanDerWaalsContact O-N 3.15Å; L338-D342 PolarHBondContact O-N 2.64Å
339L59.3Low48.8Very low115 Ų115109.7 Ų109.760%0.60263%0.634SS**Hα-helixtrans-57.6-32.3171.8-77.5166.2000114D337 L343D337-L339 PolarHBondContact O-N 3.02Å; D337-L339 VanDerWaalsContact O-N 3.14Å; L339-L343 VanDerWaalsContact O-CB 3.29Å; L339-L343 WeakPolarHBondContact O-CB 3.46Å; L339-L343 WeakPolarHBondContact O-CD1 3.34Å; L339-L343 WeakPolarHBondContact O-CG 3.39Å; L339-L343 PolarHBondContact O-N 2.95Å
340T65.4Low49Very low59 Ų59112.4 Ų112.436%0.36264%0.64SS.*Hα-helixtrans-72.9-35.7178.7-41.60000110.9D337 L338 M344D337-T340 WeakPolarHBondContact O-CA 3.29Å; D337-T340 VanDerWaalsContact O-CB 3.25Å; D337-T340 WeakPolarHBondContact O-CB 3.5Å; D337-T340 PolarHBondContact O-N 3.46Å; D337-T340 PolarHBondContact O-OG1 3.09Å; L338-T340 VanDerWaalsContact C-N 3.26Å; L338-T340 PolarHBondContact O-N 3.04Å; T340-M344 WeakPolarHBondContact O-CB 3.47Å; T340-M344 PolarHBondContact O-N 2.82Å
341Q65.7Low49.4Very low95 Ų95114.6 Ų114.644%0.44464%0.644SS.*Hα-helixtrans-69.5-41.5174.2-167.872.957.300110.8D337 L338 M344 N345D337-Q341 PolarHBondContact O-N 2.6Å; L338-Q341 WeakPolarHBondContact O-CB 3.42Å; L338-Q341 PolarHBondContact O-N 2.7Å; L338-Q341 VanDerWaalsContact O-N 3.15Å; Q341-M344 WeakPolarHBondContact O-CB 3.27Å; Q341-M344 PolarHBondContact O-N 3.1Å; Q341-N345 VanDerWaalsContact O-CG 3.22Å; Q341-N345 PolarHBondContact O-N 3.02Å; Q341-N345 PolarHBondContact O-ND2 3.15Å
342D64.7Low49.7Very low78 Ų78114.4 Ų114.442%0.41764%0.64SS.*Hα-helixtrans-69.7-36.2176.3-73.8-24.6000112.6L338 N345 L346L338-D342 PolarHBondContact O-N 2.64Å; D342-N345 CarbonylContact O-C 3.56Å; D342-N345 PolarHBondContact O-N 3.49Å; D342-L346 WeakPolarHBondContact O-CB 3.27Å; D342-L346 VanDerWaalsContact O-CG 3.29Å; D342-L346 WeakPolarHBondContact O-CG 3.1Å; D342-L346 PolarHBondContact O-N 3.29Å
343L62.7Low49.7Very low71 Ų71116.4 Ų116.437%0.37264%0.64SS.*Hα-helixtrans-67.3-36.2171.8-75167.3000112.6L339 N345 L346 G347 L348L339-L343 VanDerWaalsContact O-CB 3.29Å; L339-L343 WeakPolarHBondContact O-CB 3.46Å; L339-L343 WeakPolarHBondContact O-CD1 3.34Å; L339-L343 WeakPolarHBondContact O-CG 3.39Å; L339-L343 PolarHBondContact O-N 2.95Å; L343-N345 VanDerWaalsContact C-N 3.35Å; L343-L346 PolarHBondContact O-N 3.27Å; L343-G347 PolarHBondContact O-N 3.28Å; L343-L348 HydrophobicContact CD2-CB 4.48Å; L343-L348 PolarHBondContact O-N 3.33Å
344M68.9Low50Low125 Ų125114.9 Ų114.962%0.61664%0.637SS**Hα-helixtrans-61.8-41.2168.3-86.9-176.8163.300112T340 Q341 L346 G347T340-M344 WeakPolarHBondContact O-CB 3.47Å; T340-M344 PolarHBondContact O-N 2.82Å; Q341-M344 WeakPolarHBondContact O-CB 3.27Å; Q341-M344 PolarHBondContact O-N 3.1Å; M344-L346 VanDerWaalsContact C-N 3.26Å; M344-L346 PolarHBondContact O-N 3Å; M344-G347 PolarHBondContact O-N 2.65Å
345N64.6Low49.6Very low119 Ų119111.4 Ų111.464%0.63663%0.629SS**Hα-helixtrans-69.3-21.5176.5-69.2-22.5000113.3Q341 D342 L343Q341-N345 VanDerWaalsContact O-CG 3.22Å; Q341-N345 PolarHBondContact O-N 3.02Å; Q341-N345 PolarHBondContact O-ND2 3.15Å; D342-N345 CarbonylContact O-C 3.56Å; D342-N345 PolarHBondContact O-N 3.49Å; L343-N345 VanDerWaalsContact C-N 3.35Å
346L55.8Low49Very low125 Ų125113.3 Ų113.365%0.65463%0.634SS**THydrogen-bonded Turntrans-92.1-0.5177.9-73.3167.3000114D342 L343 M344 L348D342-L346 WeakPolarHBondContact O-CB 3.27Å; D342-L346 VanDerWaalsContact O-CG 3.29Å; D342-L346 WeakPolarHBondContact O-CG 3.1Å; D342-L346 PolarHBondContact O-N 3.29Å; L343-L346 PolarHBondContact O-N 3.27Å; M344-L346 VanDerWaalsContact C-N 3.26Å; M344-L346 PolarHBondContact O-N 3Å; L346-L348 VanDerWaalsContact C-N 3.26Å; L346-L348 PolarHBondContact O-N 3.22Å
347G42.3Very low48.1Very low68 Ų68114.5 Ų114.570%0.70164%0.64SS**THydrogen-bonded Turntrans69.520.3178.800000114.5L343 M344L343-G347 PolarHBondContact O-N 3.28Å; M344-G347 PolarHBondContact O-N 2.65Å
348L42.5Very low47.1Very low117 Ų117115.1 Ų115.161%0.61365%0.652SS**  trans-113.172.4-176.1-65.9177.3000111.1L343 L346L343-L348 HydrophobicContact CD2-CB 4.48Å; L343-L348 PolarHBondContact O-N 3.33Å; L346-L348 VanDerWaalsContact C-N 3.26Å; L346-L348 PolarHBondContact O-N 3.22Å
349N41.6Very low45.9Very low104 Ų104113.4 Ų113.456%0.55665%0.651SS**  trans-150.6109.8160.8-103.7-19.5000109
350D39Very low44.4Very low167 Ų167115 Ų11589%0.89366%0.66SS**  trans-72.5127.2169.1-74.7-53.7000109.7
351D40.1Very low42.9Very low149 Ų149118.7 Ų118.780%0.79768%0.683SS**  trans-60.3136.6-179.8-83.2-50000112.5I353D351-I353 PolarHBondContact O-N 3.28Å
352P38.2Very low41.1Very low119 Ų119123.1 Ų123.177%0.77370%0.701SS**  trans-68.6107.2173.227.9-32.8000110.8T354P352-T354 PolarHBondContact O-N 2.87Å
353I32.3Very low39.5Very low156 Ų156127.7 Ų127.780%0.872%0.722SS**  trans-33.5123175.4-59.8161.7000113.1D351D351-I353 PolarHBondContact O-N 3.28Å
354T34.4Very low37.8Very low133 Ų133134.5 Ų134.582%0.81674%0.744SS**  trans-116.7138.4149.344.10000109.6P352P352-T354 PolarHBondContact O-N 2.87Å
355P27.9Very low35.8Very low103 Ų103133.4 Ų133.467%0.66975%0.749SS**  trans-89.4-174.1-16437.2-38.5000113.2
356I30.9Very low34.2Very low160 Ų160132.3 Ų132.382%0.82175%0.75SS**  trans103.5128.8171-56.3155000112.7
357T29.5Very low33.2Very low110 Ų110132.7 Ų132.768%0.67575%0.753SS**  cis-171.9133.6-19-91.80000106.6
358S27.1Very low32.6Very low112 Ų112135.5 Ų135.578%0.78376%0.756SS**  trans59139.5162.3-64.30000118.3
359S31.6Very low32.3Very low96 Ų96138.1 Ų138.167%0.67177%0.77SS**  cis-170.6156.315.738.30000110.4
360N28.3Very low31.7Very low149 Ų149140.8 Ų140.880%0.79778%0.783SS**  trans39.5132.6147.4-52.6-19.3000118.9
361T33.5Very low31.4Very low137 Ų137140.3 Ų140.384%0.8478%0.78SS**  cis-166.7158.741-320000111.3
362K27.8Very low30.7Very low188 Ų188140.1 Ų140.182%0.81778%0.779SS**  trans-66.4151174.8-52.9165.1-179.9176.40112.5
363M29.8Very low30.4Very low173 Ų173140.9 Ų140.985%0.85278%0.781SS**  177.2169.2108.7-84.7-118.269.700112.8
364Y28.5Very low30.3Very low214 Ų214138.8 Ų138.884%0.83978%0.776SS**  trans-84.8155.4-160.8-104.6-106.3000116.4
365S26.8Very low30.1Very low103 Ų103139.5 Ų139.572%0.7278%0.775SS**  trans70.2120.1142.5-159.90000120.3
366S31.1Very low30.3Very low96 Ų96139.9 Ų139.967%0.67178%0.78SS**  -176.4141.699.7-112.30000113.8
367D34.4Very low30.3Very low133 Ų133139.5 Ų139.571%0.71177%0.773SS**  trans38.9125144.7-55-61.8000123.4
368V29.7Very low30.4Very low127 Ų127140 Ų14077%0.7778%0.778SS**  trans47.5117.8130.8-174.30000118.9
369L35.5Very low30.5Very low171 Ų171139.5 Ų139.590%0.89577%0.77SS**  trans-160.9144.5134.1-104.6-177.8000113.3
370L28.7Very low30.5Very low160 Ų160143.1 Ų143.184%0.83878%0.782SS**  trans-89133.3172.5-80.1146.3000111.2
371L33.4Very low30.5Very low157 Ų157143.7 Ų143.782%0.82278%0.779SS**  trans-155.3124.4155.2-68.6179.4000105.2
372N25Very low30.5Very low146 Ų146144.6 Ų144.678%0.78178%0.778SS**  cis56.296.940.2-155.448000114.4
373T33.3Very low30.8Very low134 Ų134143.1 Ų143.182%0.82277%0.774SS**  trans-143.8112.8169.152.10000110.8
374T29.4Very low30.7Very low113 Ų113141.1 Ų141.169%0.69377%0.767SS**  trans-93.9153.2164.541.90000111.5
375D30.5Very low30.9Very low148 Ų148137.4 Ų137.479%0.79177%0.766SS**  trans73.1139.9152.5-60.8-37.3000124.4
376S32.2Very low31.1Very low110 Ų110137 Ų13777%0.76976%0.763SS**  trans99.887.5150.1-55.80000120.9
377F29.7Very low30.9Very low153 Ų153137.7 Ų137.767%0.67177%0.767SS**  trans-6.1153136.8-68.5-65.7000119.6
378P32.8Very low30.9Very low120 Ų120140.7 Ų140.778%0.77978%0.776SS**  -149149.354.339.7-18.4000121.8
379V27.7Very low30.7Very low101 Ų101145.8 Ų145.861%0.61278%0.782SS**  trans9.2130.5143.5-168.40000119.9
380N33.5Very low30.6Very low172 Ų172145.4 Ų145.492%0.9278%0.779SS**  trans-143135137.5-104.5-31.5000111.2
381H27.8Very low30.8Very low161 Ų161142.8 Ų142.875%0.74577%0.774SS**  trans-81149.9179.8-83.3-95.3000112.5
382L33.8Very low30.7Very low156 Ų156144 Ų14482%0.81778%0.775SS**  -169.6124.1120.8-12563.4000115.8
383H32.8Very low31.1Very low157 Ų157142.5 Ų142.573%0.72777%0.773SS**  trans45.8104.5141.7-76.584.8000124.2
384N27.2Very low31.1Very low132 Ų132144.1 Ų144.171%0.70678%0.775SS**  54.7110.8100.1-168.927000121.5
385T33.6Very low31.1Very low136 Ų136144.6 Ų144.683%0.83477%0.769SS**  trans178.6153.9132.333.10000108.7
386S31.1Very low31.2Very low93 Ų93143.3 Ų143.365%0.6577%0.769SS**  cis167.6109.7-26.9169.90000106.7
387C27.7Very low31Very low111 Ų111144.6 Ų144.675%0.7576%0.761SS**  trans42.3130.1145.8-50.20000122.3
388H32.7Very low31.1Very low196 Ų196148.6 Ų148.691%0.90777%0.773SS**  -164.3134.8121.1-107.2-70.5000114.2
389R26.5Very low30.7Very low234 Ų234147.9 Ų147.988%0.88377%0.771SS**  trans-92150.4172.4-75.5-179.8172.7-176.3-2.6112
390I34.3Very low30.9Very low163 Ų163151.6 Ų151.684%0.83679%0.787SS**  trans-139.295.9153.4-57.2-176.5000111.4
391S32.9Very low30.4Very low105 Ų105150.6 Ų150.673%0.73478%0.781SS**  trans19.2135.8139.747.10000125
392H30.6Very low30.5Very low183 Ų183148.4 Ų148.485%0.84778%0.784SS**  trans-66.6177.5161.4-56.4-83.1000114.4
393P33Very low30.4Very low114 Ų114145.2 Ų145.274%0.7478%0.775SS**  -157.5157.398.640-20.6000120.8
394I34.2Very low30.3Very low169 Ų169144.1 Ų144.187%0.86778%0.775SS**  trans91134.8142.9-70.2156.7000123
395E29.8Very low30.3Very low122 Ų122144.9 Ų144.957%0.5778%0.779SS**  trans-97.6174.6-175-149.9-172.2-136.500111.6K397E395-K397 WeakPolarHBondContact OE1-CE 3.19Å; E395-K397 IonicContact OE1-NZ 3.44Å; E395-K397 PolarHBondContact OE1-NZ 3.37Å; E395-K397 WeakPolarHBondContact OE2-CE 3.39Å; E395-K397 IonicContact OE2-NZ 3.65Å; E395-K397 PolarHBondContact OE2-NZ 3.14Å
396P32.6Very low30.1Very low121 Ų121145.7 Ų145.779%0.78678%0.777SS**  -152.1175.285.639.7-19.6000117.3
397K27Very low29.9Very low138 Ų138147.9 Ų147.960%0.678%0.78SS**  trans-96.3162.7-168.1-64.6159.1174122.90115.6E395E395-K397 WeakPolarHBondContact OE1-CE 3.19Å; E395-K397 IonicContact OE1-NZ 3.44Å; E395-K397 PolarHBondContact OE1-NZ 3.37Å; E395-K397 WeakPolarHBondContact OE2-CE 3.39Å; E395-K397 IonicContact OE2-NZ 3.65Å; E395-K397 PolarHBondContact OE2-NZ 3.14Å
398Y31Very low30.1Very low236 Ų236146.2 Ų146.293%0.92578%0.781SS**  trans-134.2140.4146.3-68.4-78.5000110.8
399S25.2Very low29.8Very low106 Ų106143.6 Ų143.674%0.74177%0.774SS**  trans-146.4142.6177.5-50.90000109.6
400L31.4Very low30Very low178 Ų178140.2 Ų140.293%0.93277%0.773SS**  trans-145.2122.5170.6-95166000110.4
401N24.4Very low29.6Very low151 Ų151138.4 Ų138.481%0.80778%0.775SS**  trans-95.9152.3175.9-80.8-15.3000111.5
402S29.6Very low29.5Very low115 Ų115136.7 Ų136.780%0.80477%0.774SS**  trans-177.9156135.1-86.30000112.3
403S31.8Very low29.5Very low89 Ų89135.8 Ų135.862%0.62277%0.774SS**  cis-178.2135.2-24.4-890000108.9
404N30.2Very low29.2Very low135 Ų135141.6 Ų141.672%0.72278%0.781SS**  trans63.5113.5148.8-54.5-19.8000119.5
405N27.2Very low29.1Very low148 Ų148143.7 Ų143.779%0.79178%0.784SS**  82.4124.576.2-74.5-15.1000115.7
406L29.6Very low29Very low152 Ų152147.6 Ų147.680%0.79680%0.799SS**  168.296.2121.9-155.269.8000111.3
407I26.8Very low29Very low140 Ų140147.3 Ų147.372%0.71880%0.8SS**  50.7118.8101.9-56.8174.9000116.2
408G30.7Very low29.3Very low75 Ų75145.4 Ų145.477%0.77380%0.796SS**  trans-175.583.3171.600000116
409N27.3Very low29.6Very low141 Ų141142.4 Ų142.475%0.75478%0.784SS**  trans-64.5148.2-177.2-53.6-17.6000114.8
410N30.5Very low30.3Very low163 Ų163143.7 Ų143.787%0.87278%0.783SS**  -176.2148.5112.6-96-31.5000116.2
411S26.9Very low30.9Very low125 Ų125140.4 Ų140.487%0.87477%0.766SS**  trans-81.5153.9-171.9-42.40000114.9
412G29Very low31.7Very low69 Ų69136.8 Ų136.871%0.71175%0.746SS**  trans-16961.5-17700000120.5
413I31.6Very low32.3Very low164 Ų164137.7 Ų137.784%0.84174%0.738SS**  trans65.387.8144.8-48.5168000119.1
414R26.4Very low32.8Very low237 Ų237139.7 Ų139.789%0.89474%0.742SS**  22.9113.3121.4-167.5-170.7-124-167.83.8118.8
415K32.1Very low33.3Very low213 Ų213137.8 Ų137.893%0.92673%0.731SS**  trans-136.8144145.5-77.7-166.6178.4178.20111.5
416K28.4Very low33.9Very low204 Ų204135.6 Ų135.689%0.88771%0.714SS**  trans-133.2114-168.7176.3-174.7-178.8179.40110
417S31.5Very low34.4Very low114 Ų114132.4 Ų132.480%0.79771%0.705SS**  trans178.9155.3162.852.10000107.6
418N32.8Very low34.7Very low99 Ų99130.6 Ų130.653%0.52970%0.7SS.*  cis-144.2131.54.6-146.830.3000107.2D421N418-D421 PolarHBondContact ND2-OD2 2.99Å
419Y38.9Very low34.6Very low173 Ų173134.9 Ų134.968%0.67871%0.706SS**SBendtrans-98.5-13.9-172.3-136-91.2000113.6
420D39Very low34.7Very low132 Ų132134.7 Ų134.771%0.70671%0.709SS**SBendtrans-86.1-19.9-173.2-65.1-56.3000114.6L422D420-L422 PolarHBondContact O-N 3.09Å; D420-L422 VanDerWaalsContact O-N 3.09Å
421D44Very low34.6Very low110 Ų110133.1 Ų133.159%0.58871%0.706SS**THydrogen-bonded Turntrans-764.8-172.3-62-48000114.9N418N418-D421 PolarHBondContact ND2-OD2 2.99Å
422L41.9Very low34.8Very low74 Ų74133.1 Ų133.139%0.38770%0.701SS.*THydrogen-bonded Turntrans-111.4-15-174.3-65.8178.2000114.7D420 D424 K688D420-L422 PolarHBondContact O-N 3.09Å; D420-L422 VanDerWaalsContact O-N 3.09Å; L422-D424 VanDerWaalsContact C-N 3.3Å; L422-D424 PolarHBondContact O-N 3.31Å; L422-K688 HydrophobicContact CD2-CD 4.5Å
423Q42.1Very low35Very low134 Ų134136 Ų13663%0.62671%0.705SS**Hα-helixtrans-66.1-32.2179.7-129.472.3400112.6I425 S427Q423-I425 PolarHBondContact O-N 3.24Å; Q423-S427 PolarHBondContact O-OG 2.86Å
424D41.7Very low34.9Very low131 Ų131134.4 Ų134.470%0.70170%0.703SS**Hα-helixtrans-73.2-22.2-174.6-79.8-10.1000114.2L422L422-D424 VanDerWaalsContact C-N 3.3Å; L422-D424 PolarHBondContact O-N 3.31Å
425I41.2Very low35.3Very low96 Ų96128.1 Ų128.149%0.49269%0.693SS.*Hα-helixtrans-82.6-33.6-175.8-60.6177.2000111.6Q423Q423-I425 PolarHBondContact O-N 3.24Å
426F40.5Very low35.3Very low101 Ų101123.5 Ų123.544%0.44368%0.682SS.*Hα-helixtrans-88.3-11.2-178.7-65.1-71.6000113.8R639F426-R639 HydrophobicContact CE1-CB 4.37Å
427S38.5Very low35.4Very low86 Ų86119.5 Ų119.560%0.60168%0.675SS**SBendtrans-82.1-11.4-176.8-61.90000114.1Q423Q423-S427 PolarHBondContact O-OG 2.86Å
428T33.5Very low35.3Very low101 Ų101119.8 Ų119.862%0.6267%0.672SS**  trans-108.583.3-175.863.60000112.6
429N28.2Very low35.3Very low166 Ų166120.7 Ų120.789%0.88869%0.686SS**  trans-179.567.6152.5-92.5-25.6000112.6
430T30Very low35Very low136 Ų136116.3 Ų116.383%0.83469%0.694SS**  trans-133.5143.6156.6380000110.6
431T27.9Very low34.6Very low131 Ų131115.3 Ų115.380%0.80470%0.697SS**  trans-32.2140.2-179.4-33.30000114.3
432T32.2Very low33.9Very low125 Ų125115.8 Ų115.877%0.76771%0.705SS**  -172.616079.8-58.40000112.5
433T32.6Very low33.4Very low130 Ų130120 Ų12080%0.79873%0.726SS**  trans-67.4158.8-176.742.60000116.3
434T29.4Very low32.7Very low130 Ų130121 Ų12180%0.79874%0.735SS**  trans-78.9-175.6-17754.40000113.1
435P34.4Very low32.2Very low105 Ų105119.8 Ų119.868%0.68273%0.734SS**  cis-140.3-179.35.531.8-7.4000119
436T32.9Very low31.5Very low115 Ų115121.6 Ų121.671%0.70675%0.749SS**  trans81.5104.8147.930.50000122.2
437T31.2Very low30.9Very low120 Ų120121.5 Ų121.574%0.73676%0.762SS**  53.5131.5127.157.50000120.1
438T29.5Very low30.4Very low120 Ų120122.2 Ų122.274%0.73677%0.767SS**  cis-164.3152.410.8-5.60000110.8
439S32.5Very low30.1Very low118 Ų118123.6 Ų123.683%0.82578%0.775SS**  trans52117.5147.6-50.90000120.9
440G32.4Very low30.3Very low81 Ų81123.3 Ų123.384%0.83577%0.773SS**  trans16954168.300000117.6
441S30.5Very low30.1Very low111 Ų111126.2 Ų126.278%0.77677%0.77SS**  trans-36.2131.1177.450.20000119.6
442T29Very low30.3Very low121 Ų121126.2 Ų126.274%0.74277%0.772SS**  trans74.9116140.3-35.30000119.8
443I32.6Very low30.2Very low163 Ų163125 Ų12584%0.83677%0.768SS**  176.7130111.3-83.5159.1000111.3
444L25.4Very low30.1Very low155 Ų155126.2 Ų126.281%0.81277%0.768SS**  trans-43.5172.8166.5-80143.7000117.1
445P31.5Very low30.1Very low105 Ų105129.3 Ų129.368%0.68277%0.771SS**  -128.7161.4-77.136.2-16.5000113.6
446T27.6Very low30Very low133 Ų133129.2 Ų129.282%0.81677%0.773SS**  trans-172.2123.5165.930.40000109.1
447S26.7Very low30.2Very low100 Ų100128 Ų12870%0.69977%0.769SS**  93.5114.191.2-610000115.6
448S28.6Very low30.4Very low101 Ų101128.1 Ų128.171%0.70677%0.769SS**  trans69.7149.7132.3-40.50000123.1
449T28.2Very low30.6Very low129 Ų129129 Ų12979%0.79177%0.77SS**  trans86.3149.7149.456.90000119
450L30.9Very low30.6Very low161 Ų161127.9 Ų127.984%0.84376%0.762SS**  cis-148.7161.326.1-124.1125.6000114.6
451Y27.1Very low30.7Very low197 Ų197133.8 Ų133.877%0.77376%0.764SS**  trans-75-177170.7-97.1-103.4000113
452P31.4Very low30.7Very low131 Ų131134.8 Ų134.885%0.85177%0.766SS**  -124.8153.3109.636.7-33.6000114.2
453S30.2Very low30.9Very low98 Ų98133.8 Ų133.869%0.68576%0.764SS**  trans-141.2159.9-174.654.20000111.1
454I31Very low30.9Very low157 Ų157134.5 Ų134.581%0.80576%0.761SS**  trans-138.2112.9171.9-64.2-176.8000109.7
455F29.4Very low31.1Very low195 Ų195135.7 Ų135.786%0.85576%0.763SS**  trans38.8138.2146.5-77.4-98.8000120.4
456S32.5Very low31.2Very low103 Ų103135.8 Ų135.872%0.7277%0.765SS**  cis-173.8-179.58.271.20000109.2
457S35.9Very low31.3Very low90 Ų90137.3 Ų137.363%0.62977%0.768SS**  cis-168.2151.7-4.2-130.30000112.4
458V35.7Very low31.6Very low122 Ų122137.4 Ų137.474%0.73977%0.769SS**  trans26.9148.8145.5-60.10000123.5
459D33.4Very low31.7Very low139 Ų139138.5 Ų138.574%0.74378%0.776SS**  cis-158179.3-7.6-131-48.7000114.3
460S32.3Very low31.8Very low94 Ų94136.1 Ų136.166%0.65778%0.778SS**  trans-112.6165.1-167.3-44.60000115.6
461K34.4Very low31.8Very low204 Ų204136.5 Ų136.589%0.88778%0.775SS**  172168.8123.8-92.8158.8-173.11680116.4
462T30.6Very low31.9Very low132 Ų132134.7 Ų134.781%0.8177%0.773SS**  trans-123.8143.3-149.2-33.20000114.4
463S32.9Very low31.8Very low101 Ų101133.4 Ų133.471%0.70677%0.768SS**  trans-177.3130.8144.2-93.30000118
464K34.1Very low31.8Very low177 Ų177134.7 Ų134.777%0.7778%0.777SS**  trans65.9117.9136.2-61.6179.4-177.21800123.3
465Q29.9Very low32Very low181 Ų181134 Ų13485%0.84678%0.779SS**  trans51.5112.5130.6-64.3176.6-33.300120.9
466S33Very low32.1Very low106 Ų106131.7 Ų131.774%0.74178%0.776SS**  174.5129.3106.561.80000115.4
467L30.3Very low32.2Very low165 Ų165131 Ų13186%0.86477%0.771SS**  trans65.9137139.8-64165.5000124.1
468S32.1Very low32.2Very low103 Ų103134.6 Ų134.672%0.7278%0.783SS**  trans72.5100.4148.566.40000123.2
469S29.9Very low32.6Very low123 Ų123133.9 Ų133.986%0.8678%0.784SS**  57.4122.6125.264.10000122.4
470G31.3Very low33.4Very low80 Ų80133.6 Ų133.683%0.82578%0.782SS**  trans169.5105159.300000114.3
471H29.7Very low34.6Very low168 Ų168134.4 Ų134.478%0.77878%0.783SS**  trans-9.8154.4169-100-128.7000123.9
472E30.5Very low35.4Very low159 Ų159132.9 Ų132.974%0.74378%0.777SS**  trans86.1107.1143.3-79.2160.2-146.400122.8
473S28.1Very low36.8Very low105 Ų105130.1 Ų130.173%0.73476%0.762SS**  trans1.2131.9141.252.80000120.6
474S31.3Very low38.4Very low125 Ų125132.3 Ų132.387%0.87476%0.761SS**  179.9174.596.753.50000113.7
475V34.9Very low40.1Very low142 Ų142129 Ų12986%0.86175%0.752SS**  trans-66.5155.7-158.6176.90000116.5
476N31.9Very low41.8Very low146 Ų146124 Ų12478%0.78173%0.731SS**  trans-62.3141.1178.6-102.43.3000116.7
477S33.4Very low43.5Very low90 Ų90122 Ų12263%0.62972%0.717SS**  trans17.9136.7135.264.30000121.7
478N36.9Very low45.5Very low164 Ų164118.9 Ų118.988%0.87770%0.7SS**  trans-158.3112.1144.3-98.1-27.5000112.2
479S43.2Very low47.1Very low107 Ų107116.6 Ų116.675%0.74868%0.684SS**  trans-163.774.7164.964.40000111.9
480N50.5Low49.1Very low133 Ų133118 Ų11871%0.71167%0.671SS**  trans-151.21.5170.7-98.2-13.6000114.5F482 S483N480-F482 VanDerWaalsContact C-N 3.34Å; N480-F482 PolarHBondContact O-N 3.34Å; N480-S483 PolarHBondContact O-OG 2.97Å
481V57.5Low50.8Low111 Ų111120 Ų12067%0.67366%0.659SS**Hα-helixtrans-70-21.3-173-850000115.2
482F51.7Low52.2Low173 Ų173118.4 Ų118.476%0.75965%0.654SS**Hα-helixtrans-88.6-20.6-178.4-73.7-76.2000114.6N480 D486N480-F482 VanDerWaalsContact C-N 3.34Å; N480-F482 PolarHBondContact O-N 3.34Å; F482-D486 PolarHBondContact O-N 2.95Å
483S60.8Low53.4Low73 Ų73116.6 Ų116.651%0.5165%0.648SS.*Hα-helixtrans-73.5-32.7178.945.20000113.1N480 S487N480-S483 PolarHBondContact O-OG 2.97Å; S483-S487 PolarHBondContact O-N 3.39Å
484E65.4Low54.3Low147 Ų147116.9 Ų116.969%0.68764%0.641SS**Hα-helixtrans-70.6-37.7177-65.5-169.7167.200111.3D486 S487 L488E484-D486 PolarHBondContact O-N 3.31Å; E484-S487 PolarHBondContact O-N 3.1Å; E484-S487 PolarHBondContact O-OG 3.43Å; E484-L488 PolarHBondContact O-N 2.99Å
485L69.1Low55.1Low107 Ų107116.3 Ų116.356%0.5663%0.628SS**Hα-helixtrans-66.4-38.1179.1-14383.4000113.3L488 S489L485-L488 PolarHBondContact O-N 3.28Å; L485-S489 WeakPolarHBondContact O-CB 3.4Å; L485-S489 PolarHBondContact O-N 3.49Å; L485-S489 PolarHBondContact O-OG 2.7Å
486D65.7Low55.4Low77 Ų77114.5 Ų114.541%0.41262%0.621SS.*Hα-helixtrans-70.3-33.5173.6-169.253.6000111.5F482 E484 S489 R490F482-D486 PolarHBondContact O-N 2.95Å; E484-D486 PolarHBondContact O-N 3.31Å; D486-S489 PolarHBondContact O-N 2.93Å; D486-R490 WeakPolarHBondContact O-CB 3.04Å; D486-R490 VanDerWaalsContact O-CG 3.25Å; D486-R490 WeakPolarHBondContact O-CG 3.45Å; D486-R490 PolarHBondContact O-N 3.47Å; D486-R490 IonicContact OD1-CZ 3.84Å; D486-R490 IonicContact OD1-NE 3.1Å; D486-R490 IonicContact OD1-NH2 3.37Å; D486-R490 PolarHBondContact OD1-NH2 3.13Å; D486-R490 IonicContact OD2-CZ 3.2Å; D486-R490 IonicContact OD2-NE 3.64Å; D486-R490 PolarHBondContact OD2-NE 3.42Å; D486-R490 IonicContact OD2-NH2 2.75Å; D486-R490 PolarHBondContact OD2-NH2 2.87Å
487S68.8Low55.9Low65 Ų65115.9 Ų115.946%0.45562%0.621SS.*Hα-helixtrans-65.3-42.3172.881.50000112.2S483 E484 R490 Q491S483-S487 PolarHBondContact O-N 3.39Å; E484-S487 PolarHBondContact O-N 3.1Å; E484-S487 PolarHBondContact O-OG 3.43Å; S487-R490 PolarHBondContact O-N 2.8Å; S487-Q491 WeakPolarHBondContact O-CB 3.46Å; S487-Q491 PolarHBondContact O-N 3.48Å
488L72.8Confident55.9Low98 Ų98116.5 Ų116.551%0.51362%0.621SS.*Hα-helixtrans-67.3-39.3176.7-170.567.8000111.5E484 L485 Q491 M492E484-L488 PolarHBondContact O-N 2.99Å; L485-L488 PolarHBondContact O-N 3.28Å; L488-Q491 PolarHBondContact O-N 3.44Å; L488-M492 PolarHBondContact O-N 2.71Å
489S66.6Low55.8Low55 Ų55116.4 Ų116.439%0.38562%0.62SS.*Hα-helixtrans-63.1-43.2175.4-60.60000111.6L485 D486 Q491 L493L485-S489 WeakPolarHBondContact O-CB 3.4Å; L485-S489 PolarHBondContact O-N 3.49Å; L485-S489 PolarHBondContact O-OG 2.7Å; D486-S489 PolarHBondContact O-N 2.93Å; S489-Q491 VanDerWaalsContact C-N 3.3Å; S489-Q491 PolarHBondContact O-N 3.42Å; S489-L493 WeakPolarHBondContact O-CB 3.41Å; S489-L493 VanDerWaalsContact O-CG 3.28Å; S489-L493 WeakPolarHBondContact O-CG 3.23Å; S489-L493 PolarHBondContact O-N 2.91Å
490R72Confident55.2Low153 Ų153115.5 Ų115.558%0.57762%0.619SS**Hα-helixtrans-66-32.2173.5-69.8170.6-164.5-71.8-11.2112.6D486 S487 N494D486-R490 WeakPolarHBondContact O-CB 3.04Å; D486-R490 VanDerWaalsContact O-CG 3.25Å; D486-R490 WeakPolarHBondContact O-CG 3.45Å; D486-R490 PolarHBondContact O-N 3.47Å; D486-R490 IonicContact OD1-CZ 3.84Å; D486-R490 IonicContact OD1-NE 3.1Å; D486-R490 IonicContact OD1-NH2 3.37Å; D486-R490 PolarHBondContact OD1-NH2 3.13Å; D486-R490 IonicContact OD2-CZ 3.2Å; D486-R490 IonicContact OD2-NE 3.64Å; D486-R490 PolarHBondContact OD2-NE 3.42Å; D486-R490 IonicContact OD2-NH2 2.75Å; D486-R490 PolarHBondContact OD2-NH2 2.87Å; S487-R490 PolarHBondContact O-N 2.8Å; R490-N494 WeakPolarHBondContact O-CB 3.35Å; R490-N494 PolarHBondContact O-N 2.9Å
491Q66.2Low54.2Low122 Ų122116.8 Ų116.857%0.5763%0.625SS**Hα-helixtrans-71.2-49.3176.6-160.6164.810.100111.1S487 L488 S489 L493 N494 L495S487-Q491 WeakPolarHBondContact O-CB 3.46Å; S487-Q491 PolarHBondContact O-N 3.48Å; L488-Q491 PolarHBondContact O-N 3.44Å; S489-Q491 VanDerWaalsContact C-N 3.3Å; S489-Q491 PolarHBondContact O-N 3.42Å; Q491-L493 PolarHBondContact O-N 2.94Å; Q491-N494 PolarHBondContact O-N 3.23Å; Q491-L495 HydrophobicContact CG-CD1 4.24Å; Q491-L495 WeakPolarHBondContact O-CD1 3.36Å; Q491-L495 PolarHBondContact O-N 3.5Å
492M60.1Low52.9Low135 Ų135116.9 Ų116.967%0.66563%0.626SS**Hα-helixtrans-57.4-47.4174-82.7-110.2-92.500112.7L488 N494 L495 S496L488-M492 PolarHBondContact O-N 2.71Å; M492-N494 PolarHBondContact O-N 3.26Å; M492-L495 WeakPolarHBondContact O-CB 3.42Å; M492-L495 PolarHBondContact O-N 3.2Å; M492-L495 VanDerWaalsContact O-N 3.12Å; M492-S496 PolarHBondContact O-N 3.25Å; M492-S496 PolarHBondContact O-OG 3.38Å
493L55.5Low52.1Low121 Ų121116.2 Ų116.263%0.63463%0.63SS**Hα-helixtrans-66.5-22.1179.3-71.3168.4000113.7S489 Q491S489-L493 WeakPolarHBondContact O-CB 3.41Å; S489-L493 VanDerWaalsContact O-CG 3.28Å; S489-L493 WeakPolarHBondContact O-CG 3.23Å; S489-L493 PolarHBondContact O-N 2.91Å; Q491-L493 PolarHBondContact O-N 2.94Å
494N46.9Very low50.8Low110 Ų110117.8 Ų117.859%0.58864%0.637SS**Hα-helixtrans-82.7-32.6171.3-87.1-11.7000112.7R490 Q491 M492 S496 K497 T498R490-N494 WeakPolarHBondContact O-CB 3.35Å; R490-N494 PolarHBondContact O-N 2.9Å; Q491-N494 PolarHBondContact O-N 3.23Å; M492-N494 PolarHBondContact O-N 3.26Å; N494-S496 PolarHBondContact O-N 2.89Å; N494-K497 PolarHBondContact O-N 2.87Å; N494-T498 PolarHBondContact O-N 2.98Å
495L46.7Very low49.4Very low114 Ų114118 Ų11860%0.59764%0.643SS**Hα-helixtrans-58.4-35173.3-94.678000111.6Q491 M492 K497Q491-L495 HydrophobicContact CG-CD1 4.24Å; Q491-L495 WeakPolarHBondContact O-CD1 3.36Å; Q491-L495 PolarHBondContact O-N 3.5Å; M492-L495 WeakPolarHBondContact O-CB 3.42Å; M492-L495 PolarHBondContact O-N 3.2Å; M492-L495 VanDerWaalsContact O-N 3.12Å; L495-K497 PolarHBondContact O-N 2.76Å
496S42.2Very low47.9Very low103 Ų103120.8 Ų120.872%0.7266%0.658SS**THydrogen-bonded Turntrans-69-8.3176.7-48.50000115.1M492 N494M492-S496 PolarHBondContact O-N 3.25Å; M492-S496 PolarHBondContact O-OG 3.38Å; N494-S496 PolarHBondContact O-N 2.89Å
497K42.6Very low46.4Very low176 Ų176121 Ų12177%0.76567%0.666SS**THydrogen-bonded Turntrans-115.8-5.6-178.3-79.2177.7177.5170.70114.7N494 L495N494-K497 PolarHBondContact O-N 2.87Å; L495-K497 PolarHBondContact O-N 2.76Å
498T33.2Very low44.8Very low102 Ų102125.3 Ų125.363%0.62668%0.682SS**  trans-136.884.5175.857.70000111.2N494N494-T498 PolarHBondContact O-N 2.98Å
499N33.7Very low43.1Very low162 Ų162128.6 Ų128.687%0.86670%0.699SS**  trans-158.277.9149.5-99.2-16.2000110
500A31.4Very low41.5Very low88 Ų88133.4 Ų133.473%0.72772%0.719SS**  trans-86.4130.6160.800000108.9
501L28.8Very low39.6Very low160 Ų160130.1 Ų130.184%0.83872%0.72SS**  trans76.1145.6157.6-56.3162.5000118.9
502T30.6Very low38.2Very low113 Ų113131.6 Ų131.669%0.69373%0.732SS**  trans83.389.6162.377.80000119.5
503D34.7Very low37Very low159 Ų159133.3 Ų133.385%0.8574%0.743SS**  trans-165.5130143.4-91.8-32.8000107.4
504T34.5Very low36Very low106 Ų106133 Ų13365%0.6575%0.752SS**SBendcis-144.2165.1-13.540.60000108.9
505N35.8Very low35.2Very low151 Ų151135.6 Ų135.681%0.80777%0.765SS**SBendtrans94.70.3168.9-57-35.8000122.5
506L37.1Very low34.7Very low166 Ų166135.3 Ų135.387%0.86977%0.772SS**SBendtrans-128.612.9179-81177.3000117.8
507S33.3Very low34.2Very low83 Ų83139.6 Ų139.658%0.5878%0.778SS**SBendtrans-117.71.4-175.646.30000116.2
508I35.4Very low33.8Very low154 Ų154139.5 Ų139.579%0.7979%0.785SS**SBendtrans-94.8-8.8-175-65.7175.9000113.5
509L36.9Very low33.9Very low167 Ų167142.6 Ų142.687%0.87479%0.79SS**SBendtrans-98.44.9-174.1-71.2175.6000116.1
510L34.2Very low34.2Very low156 Ų156139.3 Ų139.382%0.81778%0.777SS**SBendtrans-122.75.8-174.7-81.8128.2000115.2
511S32.9Very low34.6Very low84 Ų84140 Ų14059%0.58777%0.769SS**SBendtrans-140.6141.2174.8-47.40000109.3
512N36Very low35.2Very low154 Ų154138.6 Ų138.682%0.82476%0.762SS**  trans81.170.1175.3-46.7-23.1000117.2
513N35.1Very low35.9Very low170 Ų170139.1 Ų139.191%0.90976%0.76SS**  -159.9103.7123-112-19.5000112.1
514S33.9Very low36.3Very low116 Ų116138 Ų13881%0.81175%0.754SS**  trans-109.5131.3168.2-71.30000110
515L30.1Very low36.8Very low163 Ų163139.4 Ų139.485%0.85376%0.758SS**  trans68104.2143.3-163.274.3000120.1
516S36.1Very low37.2Very low108 Ų108139.1 Ų139.176%0.75576%0.756SS**  170.5107.3114.360.50000109.7
517K31Very low37.4Very low193 Ų193137.5 Ų137.584%0.83975%0.749SS**  77110.373.8-169.1-177.9-168.9-178.20113.2
518L35.4Very low37.7Very low175 Ų175139.1 Ų139.192%0.91675%0.751SS**  trans-161.9137.3134.2-100.1163.8000109.3
519K34.5Very low37.8Very low167 Ų167138 Ų13873%0.72675%0.751SS**  trans-100.6-171.6-177.1-136.7-141.8169.2-159.40106.6D521K519-D521 IonicContact NZ-OD1 2.77Å; K519-D521 PolarHBondContact NZ-OD1 3.49Å
520P40.9Very low37.7Very low93 Ų93135.8 Ų135.860%0.60475%0.747SS**  cis-147.2172.419.151.3-32.7000118.9
521D38.7Very low37.7Very low102 Ų102136.7 Ų136.755%0.54575%0.752SS.*  trans72.2142.3139.9-63-4.5000120K519K519-D521 IonicContact NZ-OD1 2.77Å; K519-D521 PolarHBondContact NZ-OD1 3.49Å
522D43.1Very low37.5Very low130 Ų130138.1 Ų138.170%0.69576%0.761SS**  cis-144.9160.114.4-83.7-46.3000113.9
523D44.3Very low37.4Very low124 Ų124136.8 Ų136.866%0.66376%0.758SS**  trans50.4116.6147.2-52.1-10.4000122
524D43.7Very low37.2Very low135 Ų135135.4 Ų135.472%0.72275%0.75SS**  86.2140.891.5-63.2-13.2000112.6
525D43.9Very low37.5Very low136 Ų136136.6 Ų136.673%0.72775%0.746SS**  cis-157.1150.71.7-115.3-24.3000110.1
526D44.3Very low37.6Very low145 Ų145137 Ų13778%0.77574%0.741SS**  trans42.1120142.2-88.3-3.4000125.6
527D41.5Very low37.6Very low132 Ų132139.1 Ų139.171%0.70674%0.744SS**  108.6147.5115.4-134.47.1000124.6
528N39.2Very low37.5Very low118 Ų118136.1 Ų136.163%0.63174%0.742SS**  trans75.491.4155.8-66.8-55.3000124
529T37.3Very low37.6Very low130 Ų130132.7 Ų132.780%0.79873%0.73SS**  42.7143.5125.545.60000124.5
530P36.2Very low37.6Very low120 Ų120131 Ų13178%0.77973%0.734SS**  trans-96.5161.3-174.939.7-36.7000115.2
531L34.3Very low37.4Very low176 Ų176131 Ų13192%0.92174%0.736SS**  trans-147.7153.4162.5-106.5168000112.5
532C29.1Very low37.2Very low114 Ų114132.6 Ų132.677%0.7774%0.744SS**  trans-83.5171.4-170-50.40000114.2
533V33.8Very low36.9Very low126 Ų126133.7 Ų133.776%0.76475%0.745SS**  156.6103.6121.7165.50000112.5
534N30.6Very low36.5Very low140 Ų140133.5 Ų133.575%0.74974%0.744SS**  58.2168123.3-146.78.8000123.4
535I39Very low36Very low141 Ų141135.3 Ų135.372%0.72375%0.748SS**  trans86.195.4172-50.6164.2000113.1
536K32.7Very low35.4Very low172 Ų172137.8 Ų137.875%0.74875%0.752SS**  60.6108.575.3-77.4-167.8174-175.30115.2
537D36.1Very low34.8Very low153 Ų153135.5 Ų135.582%0.81874%0.743SS**  174.1142.4105-85.6-27.6000113
538T29.2Very low34.3Very low130 Ų130137.4 Ų137.480%0.79875%0.748SS**  trans-109.1-175.4168.350.50000108.5
539P37.8Very low33.8Very low103 Ų103139.7 Ų139.767%0.66976%0.755SS**  cis-136.6-169.6-6.3225000114.7
540T34.2Very low33.5Very low131 Ų131141 Ų14180%0.80475%0.754SS**  trans121.9135.713566.10000120.9
541S36Very low33.2Very low93 Ų93142.5 Ų142.565%0.6576%0.761SS**  trans89.294.2138.6-172.10000121.9
542N35.1Very low32.8Very low135 Ų135139.5 Ų139.572%0.72275%0.754SS**  87.7123.1122.6-67.7-5.1000123.9
543H37.3Very low33Very low153 Ų153139.5 Ų139.571%0.70876%0.756SS**  trans81.4113.1133.4-81.4-53.9000122.6
544N35.1Very low32.9Very low121 Ų121141.6 Ų141.665%0.64776%0.757SS**  101.2102.1122.9-71.7-9000120.9
545H33.4Very low33Very low172 Ų172141.7 Ų141.780%0.79676%0.763SS**  80.3131.2121.6-96.8-70.1000121.6
546K31.3Very low32.4Very low189 Ų189140.5 Ų140.582%0.82276%0.762SS**  trans83.1134.2138.8-156.9179.4-177.2-172.80115.9
547V31.7Very low32.3Very low97 Ų97136.7 Ų136.759%0.58876%0.757SS**  cis-177.3145.2-26120.60000105.5
548E30.9Very low32.3Very low171 Ų171138.2 Ų138.280%0.79976%0.759SS**  trans59.5163.5167.5-73.3149-165.700115.5
549E29.6Very low32.6Very low166 Ų166138.4 Ų138.478%0.77676%0.756SS**  cis-145.5179.21.3-142.2177.9153.500111.4
550M29.6Very low33Very low159 Ų159139.4 Ų139.478%0.78376%0.76SS**  trans-59.2159.9-178.7-51.7170.5-170.200114.9
551T29.6Very low34.1Very low150 Ų150134.4 Ų134.492%0.9273%0.728SS**  -172.6159.4115.121.30000113.8
552S27.5Very low35.4Very low113 Ų113134.1 Ų134.179%0.7972%0.719SS**  trans-100.5156.7-162.9-41.60000114.7
553S32.9Very low36.9Very low115 Ų115128.4 Ų128.480%0.80469%0.688SS**  trans174.9157.1146.130.50000109.9
554E31.5Very low38.2Very low169 Ų169128.8 Ų128.879%0.7969%0.688SS**  cis-175.9113.6-25.5174179.7-176.800107.1
555V32.5Very low39.6Very low142 Ų142127 Ų12786%0.86169%0.685SS**  trans-146.6120.7157.4-175.70000110.4
556T26.4Very low41.1Very low117 Ų117120.9 Ų120.972%0.71866%0.656SS**  trans-71.6131.2175.4-66.40000112.1
557S31.6Very low42.7Very low92 Ų92118 Ų11864%0.64365%0.65SS**  trans-150.5132.6157.2-76.10000108.3N559S557-N559 PolarHBondContact O-N 3.35Å
558Q34.7Very low44.6Very low184 Ų184114.2 Ų114.286%0.8663%0.626SS**  trans-69.695.2-174.2-73.5156.6-56.500110.1V560Q558-V560 PolarHBondContact O-N 2.93Å
559N35.7Very low46.4Very low134 Ų134112.5 Ų112.572%0.71762%0.618SS**  trans-65.293.3178.5-78.5-24.3000110.6S557 I561S557-N559 PolarHBondContact O-N 3.35Å; N559-I561 VanDerWaalsContact C-N 3.32Å; N559-I561 PolarHBondContact O-N 3.2Å
560V46.5Very low48.3Very low125 Ų125108.4 Ų108.476%0.75860%0.601SS**  trans-67.693.7167.3-179.60000107.5Q558 D562Q558-V560 PolarHBondContact O-N 2.93Å; V560-D562 PolarHBondContact O-N 3.23Å; V560-D562 VanDerWaalsContact O-N 3.07Å
561I56.9Low50.1Low26 Ų26105.8 Ų105.813%0.13360%0.598CS.*  trans-67.5107.4178.2-65.1143.3000108.4N559 L563 F566 H615 V618 Y677N559-I561 VanDerWaalsContact C-N 3.32Å; N559-I561 PolarHBondContact O-N 3.2Å; I561-L563 PolarHBondContact O-N 3.11Å; I561-F566 HydrophobicContact CG2-CE2 3.6Å; I561-F566 HydrophobicContact CG2-CZ 4.04Å; I561-H615 WeakPolarHBondContact CD1-CE1 3.36Å; I561-V618 HydrophobicContact CG2-CG2 4.49Å; I561-Y677 HydrophobicContact CB-CE2 4.31Å; I561-Y677 HydrophobicContact CD1-CE2 3.6Å
562D64.2Low52Low86 Ų86101.5 Ų101.546%0.4657%0.574SS.*  trans-78.7110.1171.6-171.1-0.1000109.5V560 K564 S565V560-D562 PolarHBondContact O-N 3.23Å; V560-D562 VanDerWaalsContact O-N 3.07Å; D562-K564 PolarHBondContact O-N 2.87Å; D562-K564 WeakPolarHBondContact OD1-CB 3.25Å; D562-K564 VanDerWaalsContact OD1-CG 3.25Å; D562-K564 WeakPolarHBondContact OD1-CG 3.32Å; D562-K564 PolarHBondContact OD1-N 3.24Å; D562-S565 WeakPolarHBondContact O-CB 3.15Å; D562-S565 PolarHBondContact O-N 2.9Å; D562-S565 PolarHBondContact O-OG 2.87Å
563L66.6Low54.1Low16 Ų1697.5 Ų97.58%0.08455%0.545CS..G310 helixtrans-55.2-20.7174.2-84.2169.2000113I561 S565 V618 K647 R649 L675I561-L563 PolarHBondContact O-N 3.11Å; L563-S565 PolarHBondContact O-N 2.97Å; L563-V618 HydrophobicContact CD2-CG1 4.16Å; L563-V618 HydrophobicContact CD2-CG2 4.2Å; L563-K647 HydrophobicContact CD1-CB 3.75Å; L563-R649 HydrophobicContact CB-CB 4.14Å; L563-R649 HydrophobicContact CD1-CB 4.29Å; L563-R649 WeakPolarHBondContact O-CD 3.44Å; L563-R649 PolarHBondContact O-NH1 3.03Å; L563-L675 HydrophobicContact CD2-CB 3.96Å
564K64.5Low56.1Low160 Ų16097.7 Ų97.770%0.69653%0.533SS*.G310 helixtrans-66.6-22.4175-61.9174.5-176.8179.60113.6D562 F566 R649D562-K564 PolarHBondContact O-N 2.87Å; D562-K564 WeakPolarHBondContact OD1-CB 3.25Å; D562-K564 VanDerWaalsContact OD1-CG 3.25Å; D562-K564 WeakPolarHBondContact OD1-CG 3.32Å; D562-K564 PolarHBondContact OD1-N 3.24Å; K564-F566 VanDerWaalsContact C-N 3.32Å; K564-F566 PolarHBondContact O-N 3.3Å; K564-R649 PolarHBondContact O-NH1 2.97Å
565S62.9Low58.2Low84 Ų8494.8 Ų94.859%0.58753%0.529SS*.G310 helixtrans-72.9-20-178.163.60000114.5D562 L563D562-S565 WeakPolarHBondContact O-CB 3.15Å; D562-S565 PolarHBondContact O-N 2.9Å; D562-S565 PolarHBondContact O-OG 2.87Å; L563-S565 PolarHBondContact O-N 2.97Å
566F65.1Low60.1Low43 Ų4389.1 Ų89.119%0.18949%0.493CS..  trans-96.7102.1-178.6-55-68.7000111.1I561 K564 P614 H615 V618 R649 L675I561-F566 HydrophobicContact CG2-CE2 3.6Å; I561-F566 HydrophobicContact CG2-CZ 4.04Å; K564-F566 VanDerWaalsContact C-N 3.32Å; K564-F566 PolarHBondContact O-N 3.3Å; F566-P614 HydrophobicContact CD1-CB 3.68Å; F566-P614 HydrophobicContact CD1-CG 4.37Å; F566-P614 HydrophobicContact CE1-CB 3.98Å; F566-P614 HydrophobicContact CG-CB 4.16Å; F566-P614 HydrophobicContact CG-CG 4.4Å; F566-H615 HydrophobicContact CZ-CB 4Å; F566-V618 HydrophobicContact CE2-CG2 4.35Å; F566-R649 PolarHBondContact O-NH1 3.22Å; F566-L675 HydrophobicContact CB-CD2 3.64Å; F566-L675 HydrophobicContact CD2-CD2 4.49Å; F566-L675 HydrophobicContact CG-CD2 4.42Å
567D66Low62Low129 Ų12987.4 Ų87.469%0.6949%0.486SS*.  trans-100.9112.9169.2-157.424.3000109.5
568I71.2Confident63.8Low18 Ų1889.5 Ų89.59%0.09249%0.489CS..  trans-114.2104-173.5-56.7179.1000107.9S572 V573 P614 V620 L651 L675I568-S572 WeakPolarHBondContact CG2-OG 3.47Å; I568-V573 HydrophobicContact CG2-CG2 3.85Å; I568-P614 HydrophobicContact CD1-CB 4.28Å; I568-P614 HydrophobicContact CD1-CG 4.02Å; I568-V620 HydrophobicContact CD1-CG1 4.39Å; I568-V620 HydrophobicContact CD1-CG2 3.7Å; I568-L651 HydrophobicContact CB-CD1 4.45Å; I568-L651 VanDerWaalsContact O-CD1 3.32Å; I568-L651 WeakPolarHBondContact O-CD1 3.49Å; I568-L675 HydrophobicContact CD1-CD2 3.94Å; I568-L675 HydrophobicContact CD1-CG 4.35Å
569Q68.1Low65.4Low135 Ų13583.8 Ų83.863%0.63146%0.462SS*.  trans-63.8139.2173.5-64.7-173-3.600110S571 S572Q569-S571 WeakPolarHBondContact CB-OG 3.45Å; Q569-S571 PolarHBondContact O-N 3.39Å; Q569-S571 VanDerWaalsContact O-N 3.13Å; Q569-S572 WeakPolarHBondContact O-CB 3.4Å; Q569-S572 PolarHBondContact O-N 3.4Å; Q569-S572 PolarHBondContact O-OG 3.22Å
570L70.9Confident67.1Low80 Ų8085.2 Ų85.242%0.41946%0.462SS..G310 helixtrans-56.2-32.2-179.7-172.864.7000112.3S572 V573 V622 V673L570-S572 PolarHBondContact O-N 3.12Å; L570-V573 PolarHBondContact O-N 3.34Å; L570-V622 HydrophobicContact CD1-CG1 4.16Å; L570-V622 HydrophobicContact CD1-CG2 4.33Å; L570-V673 HydrophobicContact CD1-CG2 3.71Å
571S67Low68.6Low104 Ų10484.4 Ų84.473%0.72746%0.457SS*.G310 helixtrans-63.2-19.8173.854.30000115.2Q569Q569-S571 WeakPolarHBondContact CB-OG 3.45Å; Q569-S571 PolarHBondContact O-N 3.39Å; Q569-S571 VanDerWaalsContact O-N 3.13Å
572S68.8Low69.8Low59 Ų5986.1 Ų86.141%0.41347%0.47SS..G310 helixtrans-95.9-2.518072.70000113.7I568 Q569 L570 N612I568-S572 WeakPolarHBondContact CG2-OG 3.47Å; Q569-S572 WeakPolarHBondContact O-CB 3.4Å; Q569-S572 PolarHBondContact O-N 3.4Å; Q569-S572 PolarHBondContact O-OG 3.22Å; L570-S572 PolarHBondContact O-N 3.12Å; S572-N612 PolarHBondContact O-ND2 3.17Å
573V72.9Confident70.9Confident29 Ų2984.7 Ų84.718%0.17646%0.462CS..PPolyproline II helixtrans-83.7117.6-176.7-176.30000110.6I568 L570 T610 N612 V622 V673I568-V573 HydrophobicContact CG2-CG2 3.85Å; L570-V573 PolarHBondContact O-N 3.34Å; V573-T610 HydrophobicContact CG1-CG2 3.3Å; V573-N612 WeakPolarHBondContact CA-OD1 3.35Å; V573-V622 HydrophobicContact CG1-CG2 3.81Å; V573-V673 HydrophobicContact CG2-CG2 4.48Å
574Q75.3Confident71.9Confident120 Ų12085.3 Ų85.356%0.56147%0.466SS*.PPolyproline II helixtrans-92.7135.2174.3-65.8-174.3-21.900110.5T610 N611 N612Q574-T610 CarbonylContact O-C 3.59Å; Q574-T610 WeakPolarHBondContact O-CA 3.2Å; Q574-T610 WeakPolarHBondContact O-CB 3.41Å; Q574-N611 HydrophobicContact CB-CB 4.23Å; Q574-N611 PolarHBondContact O-N 3.45Å; Q574-N612 PolarHBondContact N-OD1 3.03Å; Q574-N612 PolarHBondContact O-OD1 3.32Å
575P74.7Confident73Confident108 Ų10877.9 Ų77.970%0.70143%0.434SS*.BIsolated β-bridgetrans-64.4147.3175.828.1-35000111
576H72.9Confident74.1Confident22 Ų2274.6 Ų74.610%0.10241%0.409CS..PPolyproline II helixtrans-67.2135.9179.9-155.687.4000111.8I578 H579 Y609 T610H576-I578 VanDerWaalsContact C-N 3.28Å; H576-I578 PolarHBondContact O-N 3.01Å; H576-H579 HydrophobicContact CB-CB 4.33Å; H576-H579 AromaticContact CD2-CD2 3.78Å; H576-Y609 WeakPolarHBondContact CB-O 3.43Å; H576-Y609 PolarHBondContact N-O 2.97Å; H576-T610 PolarHBondContact ND1-O 3.19Å
577S66.4Low74.9Confident82 Ų8273.2 Ų73.257%0.57341%0.405SS*.SBendtrans-63.1-32.7-173.4-57.10000113.9K580S577-K580 WeakPolarHBondContact O-CE 3.44Å
578I68.2Low74.9Confident135 Ų13571.5 Ų71.569%0.69240%0.399SS*.SBendtrans-102.1-56-174.3-58.1169.7000110.6H576 K580H576-I578 VanDerWaalsContact C-N 3.28Å; H576-I578 PolarHBondContact O-N 3.01Å; I578-K580 VanDerWaalsContact C-N 3.33Å; I578-K580 PolarHBondContact O-N 3.46Å
579H68.1Low74.3Confident64 Ų6475.2 Ų75.230%0.29642%0.419SS..  trans-80.471.6-177.6-66.4-78.3000112.6H576 Y609H576-H579 HydrophobicContact CB-CB 4.33Å; H576-H579 AromaticContact CD2-CD2 3.78Å; H579-Y609 HydrophobicContact CB-CD1 4.5Å; H579-Y609 HydrophobicContact CB-CD2 4.04Å; H579-Y609 HydrophobicContact CB-CG 3.87Å
580K71.7Confident73.6Confident164 Ų16474 Ų7471%0.71342%0.416SS*.  trans-81.3-19176.9-65.1-176.2-179.5179.90114.1S577 I578 P582S577-K580 WeakPolarHBondContact O-CE 3.44Å; I578-K580 VanDerWaalsContact C-N 3.33Å; I578-K580 PolarHBondContact O-N 3.46Å; K580-P582 WeakPolarHBondContact O-CD 3.29Å
581T77.4Confident72.3Confident109 Ų10975.2 Ų75.267%0.66943%0.431SS*.SBendtrans-78.6119179.248.80000110.2
582P83.2Confident71Confident61 Ų6178.4 Ų78.440%0.39644%0.435SS..  trans-62.9146.7170.724.6-31.2000111K580 T606K580-P582 WeakPolarHBondContact O-CD 3.29Å; P582-T606 HydrophobicContact CB-CG2 4.07Å
583L87.4Confident69.6Low57 Ų5784.7 Ų84.730%0.29846%0.458SS..EExtended strand (participates in β ladder)trans-100.8112.6175-177.158.9000109.5L585 T606 L607 L706 L708L583-L585 PolarHBondContact O-N 2.98Å; L583-T606 CarbonylContact O-C 3.57Å; L583-T606 WeakPolarHBondContact O-CA 3.46Å; L583-L607 HydrophobicContact CB-CB 4.5Å; L583-L607 PolarHBondContact N-O 2.94Å; L583-L607 PolarHBondContact O-N 3.44Å; L583-L706 HydrophobicContact CD1-CD2 4.05Å; L583-L706 HydrophobicContact CD2-CD2 3.59Å; L583-L706 HydrophobicContact CD2-CG 4.48Å; L583-L706 HydrophobicContact CG-CD2 3.65Å; L583-L708 HydrophobicContact CD2-CD2 3.17Å
584T87.3Confident67.8Low28 Ų2889.7 Ų89.717%0.17248%0.483CS..EExtended strand (participates in β ladder)trans-74.3123.9-179.9-49.70000110.6Y586 L590 Q604T584-Y586 WeakPolarHBondContact CG2-O 3.48Å; T584-L590 HydrophobicContact CG2-CD1 3.6Å; T584-L590 HydrophobicContact CG2-CD2 4.24Å; T584-Q604 HydrophobicContact CG2-CG 3.86Å; T584-Q604 PolarHBondContact OG1-NE2 2.63Å
585L87.2Confident66.1Low5 Ų590.1 Ų90.13%0.02649%0.489CS..EExtended strand (participates in β ladder)trans-92.6-38.7174.1-54.3-175.4000110.8L583 T588 L605 L607 F640 L687 F689 L706L583-L585 PolarHBondContact O-N 2.98Å; L585-T588 PolarHBondContact O-OG1 3Å; L585-L605 HydrophobicContact CB-CB 4.43Å; L585-L605 HydrophobicContact CB-CD2 3.88Å; L585-L605 HydrophobicContact CB-CG 3.95Å; L585-L605 HydrophobicContact CD1-CD2 3.9Å; L585-L605 HydrophobicContact CD1-CG 4.02Å; L585-L605 HydrophobicContact CG-CD2 4.45Å; L585-L605 HydrophobicContact CG-CG 4.33Å; L585-L605 PolarHBondContact N-O 2.84Å; L585-L607 HydrophobicContact CD1-CB 4.3Å; L585-L607 HydrophobicContact CD2-CB 4.43Å; L585-L607 HydrophobicContact CG-CB 4.33Å; L585-F640 HydrophobicContact CD1-CE1 3.85Å; L585-L687 HydrophobicContact CD1-CD2 4.27Å; L585-F689 HydrophobicContact CB-CD1 3.95Å; L585-F689 HydrophobicContact CB-CE1 3.78Å; L585-F689 HydrophobicContact CB-CZ 4.25Å; L585-F689 HydrophobicContact CD1-CD1 4.36Å; L585-F689 WeakPolarHBondContact O-CE1 3.35Å; L585-F689 WeakPolarHBondContact O-CZ 3.45Å; L585-L706 HydrophobicContact CD2-CB 4.35Å; L585-L706 HydrophobicContact CD2-CD2 3.44Å; L585-L706 VanDerWaalsContact CD2-CD2 3.44Å
586Y87.6Confident64.3Low15 Ų1591.2 Ų91.26%0.05950%0.5CS..EExtended strand (participates in β ladder)trans-137136.4176.5-171-90.8000110.7T584 Y601 I603 Q604 L605 L691 E702T584-Y586 WeakPolarHBondContact CG2-O 3.48Å; Y586-Y601 WeakPolarHBondContact OH-CD2 3.37Å; Y586-Y601 WeakPolarHBondContact OH-CE2 3.43Å; Y586-I603 HydrophobicContact CD1-CG2 3.94Å; Y586-I603 HydrophobicContact CE1-CG2 3.6Å; Y586-Q604 CarbonylContact O-C 3.52Å; Y586-Q604 WeakPolarHBondContact O-CA 3.46Å; Y586-Q604 WeakPolarHBondContact O-CG 3.23Å; Y586-L605 PolarHBondContact N-O 2.93Å; Y586-L605 PolarHBondContact O-N 3.47Å; Y586-L691 HydrophobicContact CD1-CD2 4.19Å; Y586-L691 HydrophobicContact CG-CD2 4.17Å; Y586-E702 HydrophobicContact CD2-CB 4.07Å; Y586-E702 HydrophobicContact CD2-CG 4.25Å; Y586-E702 HydrophobicContact CE2-CB 3.74Å; Y586-E702 HydrophobicContact CE2-CG 3.43Å; Y586-E702 VanDerWaalsContact CE2-CG 3.43Å; Y586-E702 WeakPolarHBondContact CE2-OE1 3.43Å; Y586-E702 PolarHBondContact OH-OE1 3.23Å
587P81.2Confident62.7Low14 Ų1494.1 Ų94.19%0.09152%0.522CS..SBendcis-63.9153-629.9-37.3000111.1N589 L590 N599P587-N589 VanDerWaalsContact C-N 3.33Å; P587-L590 HydrophobicContact CG-CD1 4.03Å; P587-L590 WeakPolarHBondContact O-CD1 3.35Å; P587-N599 HydrophobicContact CG-CB 4.5Å
588T66.6Low62Low92 Ų9295 Ų9556%0.56452%0.521SS*.SBendtrans-81-15-175.3-520000112.7L585L585-T588 PolarHBondContact O-OG1 3Å
589N57.8Low61.6Low97 Ų9791.4 Ų91.452%0.51950%0.503SS..  trans-10486.4176.3-68.6-34.7000111.7P587 D598P587-N589 VanDerWaalsContact C-N 3.33Å; N589-D598 WeakPolarHBondContact CB-OD2 3.48Å; N589-D598 PolarHBondContact ND2-OD2 3.31Å
590L53Low61.5Low110 Ų11093 Ų9358%0.57652%0.517SS*.  trans-92.2-1.3168.3-90.578000113.3T584 P587T584-L590 HydrophobicContact CG2-CD1 3.6Å; T584-L590 HydrophobicContact CG2-CD2 4.24Å; P587-L590 HydrophobicContact CG-CD1 4.03Å; P587-L590 WeakPolarHBondContact O-CD1 3.35Å
591S44.4Very low61.9Low104 Ų10487.3 Ų87.373%0.72749%0.492SS*.SBendtrans-106.413.4-162.749.30000115.3
592Q39Very low62.4Low172 Ų17285.9 Ų85.980%0.80448%0.48SS*.  trans-127.893.8171.9-69.1-170.5-5.400111N594Q592-N594 PolarHBondContact O-N 3.48Å
593E39.9Very low62.7Low191 Ų19183 Ų8389%0.89346%0.461SS*.  trans-67.778.2162-64.6-179.2148.200109.5
594N34.9Very low62.9Low133 Ų13383.6 Ų83.671%0.71146%0.463SS*.  trans-171.5146.3160.6-85.1-46.7000110.3Q592Q592-N594 PolarHBondContact O-N 3.48Å
595D40Very low63.2Low130 Ų13082.3 Ų82.370%0.69545%0.454SS*.SBendtrans58.767.8164.1-60.9-14.2000120.1S597D595-S597 PolarHBondContact O-N 3.09Å; D595-S597 PolarHBondContact O-OG 2.88Å
596S37Very low63.5Low131 Ų13182.5 Ų82.592%0.91646%0.456SS*.SBend44.931.2127.772.30000121.1
597S39.1Very low63.7Low83 Ų8381.8 Ų81.858%0.5845%0.453SS*.  trans-147.1-22.9-174.650.90000118.2D595 N599 T600D595-S597 PolarHBondContact O-N 3.09Å; D595-S597 PolarHBondContact O-OG 2.88Å; S597-N599 PolarHBondContact O-N 2.69Å; S597-T600 PolarHBondContact O-OG1 3.13Å
598D50.5Low64.1Low100 Ų10084.2 Ų84.254%0.53546%0.463SS..THydrogen-bonded Turntrans-9319-164.1-121.337.6000116.2N589N589-D598 WeakPolarHBondContact CB-OD2 3.48Å; N589-D598 PolarHBondContact ND2-OD2 3.31Å
599N59.7Low65.2Low60 Ų6081 Ų8132%0.32144%0.441SS..THydrogen-bonded Turntrans-13646.9172.4-147.45.3000111P587 S597 Y601 N602 I603P587-N599 HydrophobicContact CG-CB 4.5Å; S597-N599 PolarHBondContact O-N 2.69Å; N599-Y601 PolarHBondContact O-N 3.43Å; N599-N602 PolarHBondContact O-N 3.28Å; N599-I603 PolarHBondContact OD1-O 3.49Å
600T66.6Low66.5Low98 Ų9876.8 Ų76.860%0.60142%0.419SS*.THydrogen-bonded Turntrans-42.1-39.9-171.4-44.50000114.1S597S597-T600 PolarHBondContact O-OG1 3.13Å
601Y80.3Confident67.9Low43 Ų4375 Ų7517%0.16941%0.409CS..THydrogen-bonded Turntrans-99.1-0.4-172.7-42.2-58.5000113.9Y586 N599 I603 N629 F693 L695 I700Y586-Y601 WeakPolarHBondContact OH-CD2 3.37Å; Y586-Y601 WeakPolarHBondContact OH-CE2 3.43Å; N599-Y601 PolarHBondContact O-N 3.43Å; Y601-I603 PolarHBondContact O-N 3.1Å; Y601-I603 VanDerWaalsContact O-N 3.11Å; Y601-N629 WeakPolarHBondContact O-CB 3.5Å; Y601-N629 PolarHBondContact O-ND2 2.9Å; Y601-F693 HydrophobicContact CD2-CE2 4.28Å; Y601-F693 AromaticContact CD2-CZ 3.66Å; Y601-F693 HydrophobicContact CD2-CZ 3.66Å; Y601-F693 HydrophobicContact CE2-CZ 4.31Å; Y601-F693 HydrophobicContact CG-CE2 4.04Å; Y601-F693 AromaticContact CG-CZ 3.86Å; Y601-F693 HydrophobicContact CG-CZ 3.86Å; Y601-L695 HydrophobicContact CD1-CD2 3.66Å; Y601-L695 HydrophobicContact CG-CD2 4.26Å; Y601-I700 HydrophobicContact CD1-CD1 3.57Å; Y601-I700 HydrophobicContact CD2-CD1 4.42Å; Y601-I700 HydrophobicContact CD2-CG2 4.33Å; Y601-I700 HydrophobicContact CE1-CD1 3.38Å; Y601-I700 HydrophobicContact CE1-CG1 4.14Å; Y601-I700 HydrophobicContact CE2-CD1 4.27Å; Y601-I700 HydrophobicContact CE2-CG2 3.77Å; Y601-I700 HydrophobicContact CG-CD1 4.08Å
602N87.1Confident69.6Low80 Ų8071.7 Ų71.743%0.42838%0.384SS..  trans50.331-175.5-69-70.6000114.4N599 R628 N629N599-N602 PolarHBondContact O-N 3.28Å; N602-R628 HydrophobicContact CB-CB 4.31Å; N602-R628 PolarHBondContact O-N 3.35Å; N602-N629 HydrophobicContact CB-CB 4.29Å
603I90.1Very high71.6Confident0 Ų069.3 Ų69.30%037%0.371CS..EExtended strand (participates in β ladder)trans-107.1138.1178.7-165.7174.5000109.9Y586 N599 Y601 I625 S626 I633 F693Y586-I603 HydrophobicContact CD1-CG2 3.94Å; Y586-I603 HydrophobicContact CE1-CG2 3.6Å; N599-I603 PolarHBondContact OD1-O 3.49Å; Y601-I603 PolarHBondContact O-N 3.1Å; Y601-I603 VanDerWaalsContact O-N 3.11Å; I603-I625 HydrophobicContact CD1-CG2 3.81Å; I603-I625 HydrophobicContact CG1-CG2 3.9Å; I603-S626 WeakPolarHBondContact CA-O 3.37Å; I603-I633 HydrophobicContact CB-CD1 4.28Å; I603-I633 HydrophobicContact CD1-CD1 4.11Å; I603-I633 HydrophobicContact CG1-CD1 4.43Å; I603-F693 HydrophobicContact CD1-CD1 4.11Å; I603-F693 HydrophobicContact CD1-CE1 4.23Å; I603-F693 HydrophobicContact CD1-CG 4.33Å; I603-F693 HydrophobicContact CG2-CE1 4.14Å; I603-F693 HydrophobicContact CG2-CZ 3.91Å
604Q91.8Very high73.5Confident70 Ų7062.5 Ų62.533%0.32734%0.343SS..EExtended strand (participates in β ladder)trans-128128.9179.5-169.1-177.7-800110T584 Y586 T606 I625 S626T584-Q604 HydrophobicContact CG2-CG 3.86Å; T584-Q604 PolarHBondContact OG1-NE2 2.63Å; Y586-Q604 CarbonylContact O-C 3.52Å; Y586-Q604 WeakPolarHBondContact O-CA 3.46Å; Y586-Q604 WeakPolarHBondContact O-CG 3.23Å; Q604-T606 HydrophobicContact CG-CG2 4.02Å; Q604-T606 VanDerWaalsContact NE2-CG2 3.34Å; Q604-I625 CarbonylContact O-C 3.6Å; Q604-I625 WeakPolarHBondContact O-CA 3.26Å; Q604-S626 PolarHBondContact N-O 3.17Å; Q604-S626 PolarHBondContact O-N 3.03Å
605L93.4Very high75.8Confident0 Ų058.8 Ų58.80%032%0.321CS..EExtended strand (participates in β ladder)trans-106.8114.4170.8174.164.7000108.5L585 Y586 A623 V624 I625 V638 F640 F689L585-L605 HydrophobicContact CB-CB 4.43Å; L585-L605 HydrophobicContact CB-CD2 3.88Å; L585-L605 HydrophobicContact CB-CG 3.95Å; L585-L605 HydrophobicContact CD1-CD2 3.9Å; L585-L605 HydrophobicContact CD1-CG 4.02Å; L585-L605 HydrophobicContact CG-CD2 4.45Å; L585-L605 HydrophobicContact CG-CG 4.33Å; L585-L605 PolarHBondContact N-O 2.84Å; Y586-L605 PolarHBondContact N-O 2.93Å; Y586-L605 PolarHBondContact O-N 3.47Å; L605-A623 HydrophobicContact CD1-CB 4.18Å; L605-V624 WeakPolarHBondContact CA-O 3.46Å; L605-I625 HydrophobicContact CD1-CG1 3.75Å; L605-V638 HydrophobicContact CD2-CG1 4.26Å; L605-F640 HydrophobicContact CD1-CZ 4.36Å; L605-F689 HydrophobicContact CD2-CD2 3.83Å; L605-F689 HydrophobicContact CD2-CE2 4.25Å; L605-F689 HydrophobicContact CD2-CG 4.16Å
606T92.9Very high77.8Confident9 Ų957.9 Ų57.96%0.05532%0.322CS..EExtended strand (participates in β ladder)trans-112.8153.7175.356.70000112P582 L583 Q604 H608 A623 V624P582-T606 HydrophobicContact CB-CG2 4.07Å; L583-T606 CarbonylContact O-C 3.57Å; L583-T606 WeakPolarHBondContact O-CA 3.46Å; Q604-T606 HydrophobicContact CG-CG2 4.02Å; Q604-T606 VanDerWaalsContact NE2-CG2 3.34Å; T606-H608 PolarHBondContact OG1-NE2 3.45Å; T606-H608 VanDerWaalsContact OG1-NE2 3.12Å; T606-A623 CarbonylContact O-C 3.54Å; T606-A623 VanDerWaalsContact O-CA 3.26Å; T606-A623 WeakPolarHBondContact O-CA 3.24Å; T606-V624 PolarHBondContact N-O 3.43Å; T606-V624 PolarHBondContact O-N 3.37Å; T606-V624 PolarHBondContact OG1-O 3.25Å
607L92.6Very high80.1Confident0 Ų053.1 Ų53.10%029%0.287CS..EExtended strand (participates in β ladder)trans-118125.1173.3-166.573000109.8L583 L585 F621 A623 L674 L687 L708L583-L607 HydrophobicContact CB-CB 4.5Å; L583-L607 PolarHBondContact N-O 2.94Å; L583-L607 PolarHBondContact O-N 3.44Å; L585-L607 HydrophobicContact CD1-CB 4.3Å; L585-L607 HydrophobicContact CD2-CB 4.43Å; L585-L607 HydrophobicContact CG-CB 4.33Å; L607-F621 HydrophobicContact CD1-CB 3.75Å; L607-F621 HydrophobicContact CD1-CD1 4.41Å; L607-F621 HydrophobicContact CD1-CG 4.34Å; L607-F621 HydrophobicContact CD2-CD1 3.76Å; L607-F621 HydrophobicContact CD2-CE1 4.19Å; L607-F621 HydrophobicContact CD2-CG 4.29Å; L607-F621 HydrophobicContact CG-CB 4.15Å; L607-F621 HydrophobicContact CG-CD1 3.9Å; L607-F621 HydrophobicContact CG-CG 4.33Å; L607-A623 HydrophobicContact CD1-CB 4.2Å; L607-L674 HydrophobicContact CD1-CD1 3.94Å; L607-L687 HydrophobicContact CD2-CD2 3.83Å; L607-L708 HydrophobicContact CD2-CD1 3.49Å; L607-L708 VanDerWaalsContact CD2-CD1 3.49Å
608H90.5Very high82.4Confident66 Ų6649.2 Ų49.231%0.30626%0.259SS..EExtended strand (participates in β ladder)trans-107.7131.7-180-64.3-110.3000110.4T606 F621 V622T606-H608 PolarHBondContact OG1-NE2 3.45Å; T606-H608 VanDerWaalsContact OG1-NE2 3.12Å; H608-F621 WeakPolarHBondContact O-CA 3.25Å; H608-V622 HydrophobicContact CB-CB 4.42Å; H608-V622 PolarHBondContact N-O 3.25Å; H608-V622 PolarHBondContact O-N 3.48Å
609Y88.2Confident84.2Confident25 Ų2545.3 Ų45.310%0.09824%0.238CC..EExtended strand (participates in β ladder)trans-74.5143.4170.5-71.3-104.4000109.8H576 H579 F621 P709H576-Y609 WeakPolarHBondContact CB-O 3.43Å; H576-Y609 PolarHBondContact N-O 2.97Å; H579-Y609 HydrophobicContact CB-CD1 4.5Å; H579-Y609 HydrophobicContact CB-CD2 4.04Å; H579-Y609 HydrophobicContact CB-CG 3.87Å; Y609-F621 HydrophobicContact CD1-CD1 4.38Å; Y609-F621 AromaticContact CD1-CE1 3.69Å; Y609-F621 HydrophobicContact CD1-CE1 3.69Å; Y609-F621 HydrophobicContact CD1-CZ 4.43Å; Y609-F621 HydrophobicContact CD2-CE1 4.47Å; Y609-F621 AromaticContact CE1-CE1 3.51Å; Y609-F621 HydrophobicContact CE1-CE1 3.51Å; Y609-F621 HydrophobicContact CE1-CZ 4.11Å; Y609-F621 HydrophobicContact CE2-CE1 4.31Å; Y609-F621 HydrophobicContact CG-CD1 4.47Å; Y609-F621 HydrophobicContact CG-CE1 4.17Å; Y609-F621 AromaticContact CZ-CE1 3.82Å; Y609-P709 WeakPolarHBondContact OH-CD 3.5Å; Y609-P709 WeakPolarHBondContact OH-CG 3.25Å
610T84.9Confident85.7Confident8 Ų842.8 Ų42.85%0.04923%0.225CC..BIsolated β-bridgetrans-118.2158.1178.179.60000110.8V573 Q574 H576 N612 V620 V622V573-T610 HydrophobicContact CG1-CG2 3.3Å; Q574-T610 CarbonylContact O-C 3.59Å; Q574-T610 WeakPolarHBondContact O-CA 3.2Å; Q574-T610 WeakPolarHBondContact O-CB 3.41Å; H576-T610 PolarHBondContact ND1-O 3.19Å; T610-N612 VanDerWaalsContact C-N 3.28Å; T610-N612 PolarHBondContact OG1-N 3.01Å; T610-V620 WeakPolarHBondContact CB-O 3.17Å; T610-V620 HydrophobicContact CG2-CG1 4.29Å; T610-V620 WeakPolarHBondContact CG2-O 3.4Å; T610-V620 PolarHBondContact N-O 2.93Å; T610-V620 WeakPolarHBondContact OG1-CB 3.48Å; T610-V620 PolarHBondContact OG1-O 3.15Å; T610-V622 HydrophobicContact CG2-CG2 3.85Å
611N82.1Confident86.8Confident71 Ų7138.3 Ų38.338%0.3820%0.197SC..SBendtrans-81.8-10.8173-159.946.9000112.3Q574 K613Q574-N611 HydrophobicContact CB-CB 4.23Å; Q574-N611 PolarHBondContact O-N 3.45Å; N611-K613 PolarHBondContact O-N 3.21Å
612N80.8Confident87.4Confident36 Ų3637 Ų3719%0.19319%0.194CC..  trans-72.8116-176.5-62.162.2000110.6S572 V573 Q574 T610 V620S572-N612 PolarHBondContact O-ND2 3.17Å; V573-N612 WeakPolarHBondContact CA-OD1 3.35Å; Q574-N612 PolarHBondContact N-OD1 3.03Å; Q574-N612 PolarHBondContact O-OD1 3.32Å; T610-N612 VanDerWaalsContact C-N 3.28Å; T610-N612 PolarHBondContact OG1-N 3.01Å; N612-V620 HydrophobicContact CB-CB 4.35Å; N612-V620 HydrophobicContact CB-CG2 4.43Å; N612-V620 WeakPolarHBondContact O-CB 3.09Å; N612-V620 WeakPolarHBondContact O-CG2 3.3Å
613K80.6Confident87.8Confident121 Ų12133.3 Ų33.353%0.52617%0.174SC..  trans-121.491170.4-64.7-171.1179.1-171.90108.5N611 H615N611-K613 PolarHBondContact O-N 3.21Å; K613-H615 PolarHBondContact O-N 3.38Å
614P81.5Confident88Confident49 Ų4934.4 Ų34.432%0.31818%0.181SC..SBendtrans-67.5-20-17831-38.3000112.3F566 I568 V618 V620F566-P614 HydrophobicContact CD1-CB 3.68Å; F566-P614 HydrophobicContact CD1-CG 4.37Å; F566-P614 HydrophobicContact CE1-CB 3.98Å; F566-P614 HydrophobicContact CG-CB 4.16Å; F566-P614 HydrophobicContact CG-CG 4.4Å; I568-P614 HydrophobicContact CD1-CB 4.28Å; I568-P614 HydrophobicContact CD1-CG 4.02Å; P614-V618 HydrophobicContact CG-CB 4.06Å; P614-V618 HydrophobicContact CG-CG1 3.69Å; P614-V620 HydrophobicContact CG-CG2 4.04Å
615H82.3Confident88.1Confident55 Ų5531.4 Ų31.426%0.25517%0.167SC..BIsolated β-bridgetrans-146.9149.5170.5-174.5-93.1000108.1I561 F566 K613 D617 V618I561-H615 WeakPolarHBondContact CD1-CE1 3.36Å; F566-H615 HydrophobicContact CZ-CB 4Å; K613-H615 PolarHBondContact O-N 3.38Å; H615-D617 IonicContact CE1-OD2 3.19Å; H615-D617 PolarHBondContact CE1-OD2 2.93Å; H615-D617 VanDerWaalsContact CE1-OD2 3.29Å; H615-D617 PolarHBondContact ND1-N 3.48Å; H615-D617 IonicContact ND1-OD2 2.7Å; H615-D617 PolarHBondContact O-N 2.92Å; H615-D617 VanDerWaalsContact O-N 3.11Å; H615-V618 HydrophobicContact CB-CB 4.03Å; H615-V618 HydrophobicContact CB-CG2 3.85Å; H615-V618 PolarHBondContact O-N 2.87Å
616P80.9Confident88.1Confident110 Ų11032.6 Ų32.671%0.71418%0.175SC*.THydrogen-bonded Turntrans-51.2-35.7178.6-31.636.9000114.9
617D86.2Confident88Confident31 Ų3132.3 Ų32.317%0.16617%0.173CC..THydrogen-bonded Turntrans-94.17.2179.8-52-40.7000113.8H615 Y677 N678 K681H615-D617 IonicContact CE1-OD2 3.19Å; H615-D617 PolarHBondContact CE1-OD2 2.93Å; H615-D617 VanDerWaalsContact CE1-OD2 3.29Å; H615-D617 PolarHBondContact ND1-N 3.48Å; H615-D617 IonicContact ND1-OD2 2.7Å; H615-D617 PolarHBondContact O-N 2.92Å; H615-D617 VanDerWaalsContact O-N 3.11Å; D617-Y677 HydrophobicContact CB-CD2 3.96Å; D617-Y677 HydrophobicContact CB-CE2 3.67Å; D617-Y677 CarbonylContact O-C 3.56Å; D617-Y677 WeakPolarHBondContact O-CA 3.42Å; D617-Y677 WeakPolarHBondContact O-CD2 3.44Å; D617-N678 PolarHBondContact O-N 2.96Å; D617-K681 WeakPolarHBondContact OD1-CE 3.39Å; D617-K681 IonicContact OD1-NZ 3.2Å
618V88.1Confident87.9Confident1 Ų139 Ų391%0.00620%0.199CC..EExtended strand (participates in β ladder)trans-117.3118.2179.11780000110.5I561 L563 F566 P614 H615 L675 I676 Y677I561-V618 HydrophobicContact CG2-CG2 4.49Å; L563-V618 HydrophobicContact CD2-CG1 4.16Å; L563-V618 HydrophobicContact CD2-CG2 4.2Å; F566-V618 HydrophobicContact CE2-CG2 4.35Å; P614-V618 HydrophobicContact CG-CB 4.06Å; P614-V618 HydrophobicContact CG-CG1 3.69Å; H615-V618 HydrophobicContact CB-CB 4.03Å; H615-V618 HydrophobicContact CB-CG2 3.85Å; H615-V618 PolarHBondContact O-N 2.87Å; V618-L675 HydrophobicContact CG1-CB 4.22Å; V618-L675 HydrophobicContact CG1-CD2 4.43Å; V618-I676 WeakPolarHBondContact CA-O 3.35Å; V618-Y677 HydrophobicContact CG2-CD2 3.81Å; V618-Y677 HydrophobicContact CG2-CG 4.48Å
619M88Confident87.9Confident19 Ų1936.3 Ų36.39%0.09419%0.187CC..EExtended strand (participates in β ladder)trans-93.8144.7174.6-57.9174.2-68.200109.9F621 F646 L675 I676 N678 F685 C710M619-F621 HydrophobicContact CB-CD2 4.4Å; M619-F621 HydrophobicContact CB-CE2 3.7Å; M619-F621 HydrophobicContact CB-CZ 4.39Å; M619-F621 HydrophobicContact CE-CE2 4.48Å; M619-F621 HydrophobicContact SD-CE2 4.45Å; M619-F621 HydrophobicContact SD-CZ 4.49Å; M619-F646 HydrophobicContact CE-CE1 4.37Å; M619-L675 WeakPolarHBondContact O-CA 3.48Å; M619-I676 HydrophobicContact CE-CB 4.03Å; M619-I676 HydrophobicContact CE-CG2 3.69Å; M619-I676 PolarHBondContact N-O 3.3Å; M619-I676 PolarHBondContact O-N 3.44Å; M619-N678 HydrophobicContact CE-CB 4.29Å; M619-F685 HydrophobicContact CE-CD1 4.17Å; M619-F685 HydrophobicContact CE-CE1 3.79Å; M619-F685 HydrophobicContact CE-CZ 4.34Å; M619-F685 HydrophobicContact SD-CE1 4.43Å; M619-C710 HydrophobicContact CE-CB 4.28Å; M619-C710 WeakPolarHBondContact SD-CA 3.46Å; M619-C710 HydrophobicContact SD-CB 3.63Å
620V90.4Very high87.9Confident7 Ų740.5 Ų40.54%0.04222%0.215CC..EExtended strand (participates in β ladder)trans-120129.6176-177.40000109.6I568 T610 N612 P614 V673 L674 L675I568-V620 HydrophobicContact CD1-CG1 4.39Å; I568-V620 HydrophobicContact CD1-CG2 3.7Å; T610-V620 WeakPolarHBondContact CB-O 3.17Å; T610-V620 HydrophobicContact CG2-CG1 4.29Å; T610-V620 WeakPolarHBondContact CG2-O 3.4Å; T610-V620 PolarHBondContact N-O 2.93Å; T610-V620 WeakPolarHBondContact OG1-CB 3.48Å; T610-V620 PolarHBondContact OG1-O 3.15Å; N612-V620 HydrophobicContact CB-CB 4.35Å; N612-V620 HydrophobicContact CB-CG2 4.43Å; N612-V620 WeakPolarHBondContact O-CB 3.09Å; N612-V620 WeakPolarHBondContact O-CG2 3.3Å; P614-V620 HydrophobicContact CG-CG2 4.04Å; V620-V673 HydrophobicContact CG1-CG1 3.71Å; V620-L674 WeakPolarHBondContact CA-O 3.17Å; V620-L675 HydrophobicContact CG2-CG 4.37Å
621F91Very high88.2Confident4 Ų443.4 Ų43.42%0.01823%0.23CC..EExtended strand (participates in β ladder)trans-123156.3176.3-61.5-94.8000110L607 H608 Y609 M619 V673 L674 I676 F685L607-F621 HydrophobicContact CD1-CB 3.75Å; L607-F621 HydrophobicContact CD1-CD1 4.41Å; L607-F621 HydrophobicContact CD1-CG 4.34Å; L607-F621 HydrophobicContact CD2-CD1 3.76Å; L607-F621 HydrophobicContact CD2-CE1 4.19Å; L607-F621 HydrophobicContact CD2-CG 4.29Å; L607-F621 HydrophobicContact CG-CB 4.15Å; L607-F621 HydrophobicContact CG-CD1 3.9Å; L607-F621 HydrophobicContact CG-CG 4.33Å; H608-F621 WeakPolarHBondContact O-CA 3.25Å; Y609-F621 HydrophobicContact CD1-CD1 4.38Å; Y609-F621 AromaticContact CD1-CE1 3.69Å; Y609-F621 HydrophobicContact CD1-CE1 3.69Å; Y609-F621 HydrophobicContact CD1-CZ 4.43Å; Y609-F621 HydrophobicContact CD2-CE1 4.47Å; Y609-F621 AromaticContact CE1-CE1 3.51Å; Y609-F621 HydrophobicContact CE1-CE1 3.51Å; Y609-F621 HydrophobicContact CE1-CZ 4.11Å; Y609-F621 HydrophobicContact CE2-CE1 4.31Å; Y609-F621 HydrophobicContact CG-CD1 4.47Å; Y609-F621 HydrophobicContact CG-CE1 4.17Å; Y609-F621 AromaticContact CZ-CE1 3.82Å; M619-F621 HydrophobicContact CB-CD2 4.4Å; M619-F621 HydrophobicContact CB-CE2 3.7Å; M619-F621 HydrophobicContact CB-CZ 4.39Å; M619-F621 HydrophobicContact CE-CE2 4.48Å; M619-F621 HydrophobicContact SD-CE2 4.45Å; M619-F621 HydrophobicContact SD-CZ 4.49Å; F621-V673 WeakPolarHBondContact O-CA 3.24Å; F621-L674 HydrophobicContact CB-CB 4.37Å; F621-L674 HydrophobicContact CB-CD1 4.18Å; F621-L674 PolarHBondContact N-O 3.4Å; F621-L674 PolarHBondContact O-N 2.62Å; F621-I676 HydrophobicContact CD2-CD1 3.9Å; F621-I676 HydrophobicContact CD2-CG1 4.25Å; F621-I676 HydrophobicContact CE2-CB 4.45Å; F621-I676 HydrophobicContact CE2-CD1 3.85Å; F621-I676 HydrophobicContact CE2-CG1 4.33Å; F621-F685 HydrophobicContact CE2-CE1 4.44Å; F621-F685 AromaticContact CE2-CZ 3.91Å; F621-F685 HydrophobicContact CE2-CZ 3.91Å; F621-F685 HydrophobicContact CZ-CE1 4.12Å; F621-F685 AromaticContact CZ-CZ 3.81Å; F621-F685 HydrophobicContact CZ-CZ 3.81Å
622V93Very high88.7Confident15 Ų1543.6 Ų43.69%0.09123%0.234CC..EExtended strand (participates in β ladder)trans-117.8115.5166.8-176.70000108.3L570 V573 H608 T610 V624 Q672L570-V622 HydrophobicContact CD1-CG1 4.16Å; L570-V622 HydrophobicContact CD1-CG2 4.33Å; V573-V622 HydrophobicContact CG1-CG2 3.81Å; H608-V622 HydrophobicContact CB-CB 4.42Å; H608-V622 PolarHBondContact N-O 3.25Å; H608-V622 PolarHBondContact O-N 3.48Å; T610-V622 HydrophobicContact CG2-CG2 3.85Å; V622-V624 HydrophobicContact CG1-CG2 3.97Å; V622-Q672 CarbonylContact C-O 3.58Å; V622-Q672 WeakPolarHBondContact CA-O 3.33Å
623A93.8Very high89.3Confident2 Ų241.9 Ų41.92%0.01723%0.225CC..EExtended strand (participates in β ladder)trans-79.4136.3164.800000109.1L605 T606 L607 F640 S671 Q672 L674L605-A623 HydrophobicContact CD1-CB 4.18Å; T606-A623 CarbonylContact O-C 3.54Å; T606-A623 VanDerWaalsContact O-CA 3.26Å; T606-A623 WeakPolarHBondContact O-CA 3.24Å; L607-A623 HydrophobicContact CD1-CB 4.2Å; A623-F640 HydrophobicContact CB-CE1 4.46Å; A623-F640 HydrophobicContact CB-CE2 4.03Å; A623-F640 HydrophobicContact CB-CZ 3.53Å; A623-S671 CarbonylContact O-C 3.51Å; A623-S671 WeakPolarHBondContact O-CA 3.38Å; A623-Q672 PolarHBondContact N-O 2.8Å; A623-Q672 PolarHBondContact O-N 3.07Å; A623-L674 HydrophobicContact CB-CD1 3.66Å
624V94.4Very high89.9Confident23 Ų2338.7 Ų38.714%0.13922%0.216CC..EExtended strand (participates in β ladder)trans-126.3127.5176.2-177.40000108.2L605 T606 V622 I670L605-V624 WeakPolarHBondContact CA-O 3.46Å; T606-V624 PolarHBondContact N-O 3.43Å; T606-V624 PolarHBondContact O-N 3.37Å; T606-V624 PolarHBondContact OG1-O 3.25Å; V622-V624 HydrophobicContact CG1-CG2 3.97Å; V624-I670 CarbonylContact C-O 3.6Å; V624-I670 WeakPolarHBondContact CA-O 3.28Å
625I94.6Very high90.4Very high7 Ų742.4 Ų42.44%0.03623%0.229CC..EExtended strand (participates in β ladder)trans-107.6118.8175.2-49.7163.2000106.2I603 Q604 L605 I636 V638 L658 S669 I670I603-I625 HydrophobicContact CD1-CG2 3.81Å; I603-I625 HydrophobicContact CG1-CG2 3.9Å; Q604-I625 CarbonylContact O-C 3.6Å; Q604-I625 WeakPolarHBondContact O-CA 3.26Å; L605-I625 HydrophobicContact CD1-CG1 3.75Å; I625-I636 HydrophobicContact CD1-CG2 3.59Å; I625-I636 HydrophobicContact CG2-CG2 4.38Å; I625-V638 HydrophobicContact CD1-CB 4.47Å; I625-V638 HydrophobicContact CD1-CG2 3.4Å; I625-V638 HydrophobicContact CG1-CG2 4.2Å; I625-L658 HydrophobicContact CG2-CD1 4.13Å; I625-S669 CarbonylContact O-C 3.6Å; I625-S669 WeakPolarHBondContact O-CA 3.27Å; I625-S669 VanDerWaalsContact O-CB 3.32Å; I625-S669 WeakPolarHBondContact O-CB 3.29Å; I625-I670 HydrophobicContact CB-CB 4.33Å; I625-I670 HydrophobicContact CD1-CB 4.32Å; I625-I670 HydrophobicContact CD1-CG2 4.18Å; I625-I670 PolarHBondContact N-O 3.43Å; I625-I670 PolarHBondContact O-N 3.39Å
626S93Very high90.9Very high26 Ų2640.1 Ų40.118%0.18222%0.219CC..EExtended strand (participates in β ladder)trans-121.7143.3176.260.70000110.9I603 Q604I603-S626 WeakPolarHBondContact CA-O 3.37Å; Q604-S626 PolarHBondContact N-O 3.17Å; Q604-S626 PolarHBondContact O-N 3.03Å
627S91.3Very high91.5Very high2 Ų237.6 Ų37.61%0.01420%0.199CC..EExtended strand (participates in β ladder)trans-118.3135.5177.5179.50000110.7N629 I633 A668S627-N629 WeakPolarHBondContact OG-CB 3.08Å; S627-N629 PolarHBondContact OG-N 3.44Å; S627-N629 VanDerWaalsContact OG-N 3.08Å; S627-I633 WeakPolarHBondContact OG-CD1 3.18Å; S627-A668 PolarHBondContact N-O 3.01Å
628R90.4Very high91.8Very high140 Ų14036.4 Ų36.453%0.52819%0.193SC..  trans-113.317.9164.9-57.2-167.773.1179.63.1111.7N602 Y661 P667N602-R628 HydrophobicContact CB-CB 4.31Å; N602-R628 PolarHBondContact O-N 3.35Å; R628-Y661 VanDerWaalsContact C-CB 3.49Å; R628-Y661 HydrophobicContact CB-CD1 4.13Å; R628-Y661 HydrophobicContact CB-CG 4.21Å; R628-Y661 PolarHBondContact NH2-OH 3.3Å; R628-P667 HydrophobicContact CG-CB 4.22Å; R628-P667 HydrophobicContact CG-CG 3.97Å
629N89.5Confident92.1Very high11 Ų1141.8 Ų41.86%0.05921%0.213CC..  trans-71.3140.1178.6-159.4-46.7000110.9Y601 N602 S627 L631 I633 Y661 L695Y601-N629 WeakPolarHBondContact O-CB 3.5Å; Y601-N629 PolarHBondContact O-ND2 2.9Å; N602-N629 HydrophobicContact CB-CB 4.29Å; S627-N629 WeakPolarHBondContact OG-CB 3.08Å; S627-N629 PolarHBondContact OG-N 3.44Å; S627-N629 VanDerWaalsContact OG-N 3.08Å; N629-L631 PolarHBondContact O-N 3.34Å; N629-L631 PolarHBondContact OD1-N 2.87Å; N629-I633 HydrophobicContact CB-CD1 4.13Å; N629-I633 HydrophobicContact CB-CG1 4.42Å; N629-Y661 WeakPolarHBondContact O-CB 3.23Å; N629-Y661 PolarHBondContact O-N 2.92Å; N629-L695 VanDerWaalsContact ND2-CD1 3.34Å; N629-L695 WeakPolarHBondContact ND2-CD1 3.4Å; N629-L695 WeakPolarHBondContact ND2-CD2 3.38Å
630V89.8Confident92.3Very high113 Ų11341.3 Ų41.369%0.68521%0.211SC*.SBendtrans-73-14.5176.7-63.10000113.1A660V630-A660 VanDerWaalsContact O-CB 3.3Å; V630-A660 WeakPolarHBondContact O-CB 3.45Å
631L91Very high92.4Very high69 Ų6941.7 Ų41.736%0.36122%0.216SC..SBendtrans-103.7151.2172.4-59-179.9000110.6N629 L695 D696N629-L631 PolarHBondContact O-N 3.34Å; N629-L631 PolarHBondContact OD1-N 2.87Å; L631-L695 HydrophobicContact CB-CD1 3.85Å; L631-L695 HydrophobicContact CD1-CD1 4.35Å; L631-D696 HydrophobicContact CD1-CB 3.86Å
632P92Very high92.5Very high74 Ų7442.7 Ų42.748%0.48122%0.222SC..  trans-65.4148.5171.630.1-35000111L658P632-L658 WeakPolarHBondContact CA-O 3.14Å
633I93.2Very high92.2Very high0 Ų045.9 Ų45.90%024%0.236CC..EExtended strand (participates in β ladder)trans-115.2127.5175.1-55.5-175.9000108.2I603 S627 N629 I636 N657 L658 F693 I694 L695I603-I633 HydrophobicContact CB-CD1 4.28Å; I603-I633 HydrophobicContact CD1-CD1 4.11Å; I603-I633 HydrophobicContact CG1-CD1 4.43Å; S627-I633 WeakPolarHBondContact OG-CD1 3.18Å; N629-I633 HydrophobicContact CB-CD1 4.13Å; N629-I633 HydrophobicContact CB-CG1 4.42Å; I633-I636 HydrophobicContact CB-CD1 4.12Å; I633-I636 HydrophobicContact CG2-CD1 3.75Å; I633-I636 HydrophobicContact CG2-CG1 3.68Å; I633-N657 CarbonylContact O-C 3.58Å; I633-N657 WeakPolarHBondContact O-CA 3.45Å; I633-L658 HydrophobicContact CB-CB 4.47Å; I633-L658 PolarHBondContact N-O 2.88Å; I633-L658 PolarHBondContact O-N 3.1Å; I633-F693 HydrophobicContact CG2-CB 3.62Å; I633-F693 HydrophobicContact CG2-CD2 3.65Å; I633-F693 HydrophobicContact CG2-CG 3.94Å; I633-I694 WeakPolarHBondContact CA-O 3.25Å; I633-I694 WeakPolarHBondContact CG2-O 3.49Å; I633-L695 HydrophobicContact CG1-CD1 4.15Å
634T93.2Very high91.7Very high54 Ų5455.4 Ų55.433%0.33128%0.277SS..EExtended strand (participates in β ladder)trans-119.7168-175.755.70000112.4I636 N657 I694T634-I636 PolarHBondContact O-N 2.93Å; T634-I636 VanDerWaalsContact O-N 3.1Å; T634-N657 VanDerWaalsContact CA-OD1 3.3Å; T634-N657 WeakPolarHBondContact CA-OD1 3.43Å; T634-N657 WeakPolarHBondContact CB-OD1 3.45Å; T634-I694 PolarHBondContact N-O 2.73Å; T634-I694 PolarHBondContact O-N 3.45Å
635E92.1Very high91.3Very high128 Ų12856.8 Ų56.860%0.59829%0.286SS*.EExtended strand (participates in β ladder)trans51.835.4177.6-61.4-167.2-162.900114.8N637 Q656 N657 I694E635-N637 PolarHBondContact O-N 3.23Å; E635-N637 VanDerWaalsContact O-N 3.13Å; E635-Q656 PolarHBondContact N-O 2.71Å; E635-N657 PolarHBondContact N-OD1 2.98Å; E635-I694 HydrophobicContact CB-CD1 3.99Å; E635-I694 HydrophobicContact CB-CG1 4.19Å; E635-I694 VanDerWaalsContact CD-CD1 3.5Å; E635-I694 HydrophobicContact CG-CD1 3.96Å
636I93.5Very high91Very high6 Ų657.1 Ų57.13%0.03129%0.288CS..EExtended strand (participates in β ladder)trans-66.9112.7179.3-58.9167.5000109.2I625 I633 T634 Q656 L658 I670 L691 S692 F693I625-I636 HydrophobicContact CD1-CG2 3.59Å; I625-I636 HydrophobicContact CG2-CG2 4.38Å; I633-I636 HydrophobicContact CB-CD1 4.12Å; I633-I636 HydrophobicContact CG2-CD1 3.75Å; I633-I636 HydrophobicContact CG2-CG1 3.68Å; T634-I636 PolarHBondContact O-N 2.93Å; T634-I636 VanDerWaalsContact O-N 3.1Å; I636-Q656 WeakPolarHBondContact CB-O 3.35Å; I636-Q656 PolarHBondContact N-O 3.36Å; I636-L658 HydrophobicContact CD1-CB 3.99Å; I636-L658 HydrophobicContact CD1-CD1 3.65Å; I636-L658 HydrophobicContact CD1-CG 3.55Å; I636-I670 HydrophobicContact CB-CD1 4.11Å; I636-I670 HydrophobicContact CD1-CD1 3.65Å; I636-I670 HydrophobicContact CG1-CD1 4.47Å; I636-I670 HydrophobicContact CG2-CD1 4.21Å; I636-L691 HydrophobicContact CG2-CD1 4.28Å; I636-S692 CarbonylContact C-O 3.54Å; I636-S692 WeakPolarHBondContact CA-O 3.43Å; I636-F693 HydrophobicContact CG1-CB 3.88Å
637N93Very high90.7Very high57 Ų5761.2 Ų61.231%0.30530%0.302SS..EExtended strand (participates in β ladder)trans-122.6130.7175.1-156.4-81.2000109.3E635 R639 S692E635-N637 PolarHBondContact O-N 3.23Å; E635-N637 VanDerWaalsContact O-N 3.13Å; N637-R639 PolarHBondContact OD1-NE 3.22Å; N637-S692 WeakPolarHBondContact CB-OG 3.34Å; N637-S692 PolarHBondContact N-O 3.38Å; N637-S692 PolarHBondContact O-N 2.93Å
638V93.2Very high90.8Very high7 Ų763.3 Ų63.34%0.04231%0.313CS..EExtended strand (participates in β ladder)trans-123.5131.4171.1-170.30000110.3L605 I625 F640 Q650 Q690 L691L605-V638 HydrophobicContact CD2-CG1 4.26Å; I625-V638 HydrophobicContact CD1-CB 4.47Å; I625-V638 HydrophobicContact CD1-CG2 3.4Å; I625-V638 HydrophobicContact CG1-CG2 4.2Å; V638-F640 HydrophobicContact CB-CE2 4.06Å; V638-F640 HydrophobicContact CB-CZ 4.35Å; V638-F640 HydrophobicContact CG1-CD2 4.05Å; V638-F640 HydrophobicContact CG1-CE1 3.97Å; V638-F640 HydrophobicContact CG1-CE2 3.39Å; V638-F640 HydrophobicContact CG1-CZ 3.34Å; V638-Q650 PolarHBondContact O-NE2 3.07Å; V638-Q650 VanDerWaalsContact O-NE2 3.15Å; V638-Q690 WeakPolarHBondContact CA-O 3.36Å; V638-L691 HydrophobicContact CG2-CB 4.34Å; V638-L691 HydrophobicContact CG2-CD1 3.57Å
639R93.1Very high90.8Very high114 Ų11459.7 Ų59.743%0.4330%0.299SS..EExtended strand (participates in β ladder)trans-119.2132.5176.8-59.7179.7-178.7-176.5-1.4109.1F426 N637 F689 Q690F426-R639 HydrophobicContact CE1-CB 4.37Å; N637-R639 PolarHBondContact OD1-NE 3.22Å; R639-F689 CarbonylContact O-C 3.6Å; R639-F689 WeakPolarHBondContact O-CA 3.44Å; R639-Q690 HydrophobicContact CB-CB 4.41Å; R639-Q690 PolarHBondContact N-O 3.12Å; R639-Q690 PolarHBondContact O-N 3.22Å
640F93.6Very high90.9Very high9 Ų962.4 Ų62.44%0.03931%0.312CS..EExtended strand (participates in β ladder)trans-115.3135.7178-62.3-84.8000110.8L585 L605 A623 V638 I648 L674 L687 K688 F689L585-F640 HydrophobicContact CD1-CE1 3.85Å; L605-F640 HydrophobicContact CD1-CZ 4.36Å; A623-F640 HydrophobicContact CB-CE1 4.46Å; A623-F640 HydrophobicContact CB-CE2 4.03Å; A623-F640 HydrophobicContact CB-CZ 3.53Å; V638-F640 HydrophobicContact CB-CE2 4.06Å; V638-F640 HydrophobicContact CB-CZ 4.35Å; V638-F640 HydrophobicContact CG1-CD2 4.05Å; V638-F640 HydrophobicContact CG1-CE1 3.97Å; V638-F640 HydrophobicContact CG1-CE2 3.39Å; V638-F640 HydrophobicContact CG1-CZ 3.34Å; F640-I648 HydrophobicContact CB-CD1 3.56Å; F640-L674 HydrophobicContact CB-CD2 3.79Å; F640-L674 HydrophobicContact CD1-CD2 3.69Å; F640-L674 HydrophobicContact CD2-CD2 3.35Å; F640-L674 HydrophobicContact CD2-CG 4.21Å; F640-L674 HydrophobicContact CE1-CD2 4.03Å; F640-L674 HydrophobicContact CE2-CD2 3.71Å; F640-L674 HydrophobicContact CE2-CG 4.35Å; F640-L674 HydrophobicContact CG-CD2 3.32Å; F640-L674 HydrophobicContact CZ-CD2 4.03Å; F640-L687 HydrophobicContact CB-CD1 4.17Å; F640-L687 HydrophobicContact CD1-CD1 4.16Å; F640-L687 HydrophobicContact CD1-CD2 4.09Å; F640-L687 HydrophobicContact CD1-CG 4.28Å; F640-L687 HydrophobicContact CE1-CD2 4.44Å; F640-K688 CarbonylContact C-O 3.59Å; F640-K688 WeakPolarHBondContact CA-O 3.44Å; F640-F689 HydrophobicContact CD1-CB 3.94Å; F640-F689 HydrophobicContact CE1-CB 3.99Å
641G92.5Very high90.9Very high14 Ų1458 Ų5814%0.14428%0.284CS..EExtended strand (participates in β ladder)trans-126.2147176.600000111.1K688G641-K688 PolarHBondContact N-O 2.98Å; G641-K688 PolarHBondContact O-N 2.69Å
642V91.6Very high90.9Very high25 Ų2562.5 Ų62.515%0.15231%0.307CS..EExtended strand (participates in β ladder)trans-130.3151.2172.7-63.60000109.4F646 I648 I676 F685 L687V642-F646 HydrophobicContact CB-CB 3.97Å; V642-F646 HydrophobicContact CG2-CB 3.59Å; V642-I648 HydrophobicContact CG1-CB 4.23Å; V642-I648 HydrophobicContact CG1-CD1 4.02Å; V642-I648 HydrophobicContact CG2-CB 3.81Å; V642-I648 HydrophobicContact CG2-CG2 3.92Å; V642-I676 HydrophobicContact CG1-CD1 4.28Å; V642-F685 HydrophobicContact CG1-CD2 3.98Å; V642-F685 HydrophobicContact CG1-CE2 4.22Å; V642-L687 HydrophobicContact CG1-CD1 3.88Å
643E87.3Confident90.9Very high83 Ų8360.4 Ų60.439%0.38830%0.296SS..  trans-80.6146.9178.2-59.6-168.3166.400111.5F646 I686 K688E643-F646 WeakPolarHBondContact O-CB 3.06Å; E643-F646 WeakPolarHBondContact O-CD2 3.07Å; E643-F646 PolarHBondContact O-N 2.94Å; E643-I686 HydrophobicContact CG-CB 4.44Å; E643-K688 WeakPolarHBondContact OE1-CE 3.38Å; E643-K688 IonicContact OE1-NZ 2.68Å; E643-K688 PolarHBondContact OE1-NZ 3.46Å
644K83.7Confident90.8Very high202 Ų20264.1 Ų64.188%0.87832%0.322SS*.THydrogen-bonded Turntrans-59.9136.8174.7-66.1174.5-176.1170.30108.5
645P85.3Confident90.7Very high51 Ų5162.9 Ų62.933%0.33132%0.32SS..THydrogen-bonded Turncis-921.121.436.7-37.6000115.4P679 S680 L682P645-P679 HydrophobicContact CB-CG 4.07Å; P645-P679 VanDerWaalsContact O-CG 3.22Å; P645-P679 WeakPolarHBondContact O-CG 3.41Å; P645-S680 VanDerWaalsContact CG-OG 3.29Å; P645-S680 WeakPolarHBondContact CG-OG 3.08Å; P645-L682 HydrophobicContact CG-CD1 3.92Å
646F87.7Confident90.7Very high15 Ų1562.4 Ų62.47%0.06632%0.317CS..  trans-65.7153.7-180-64.4-96.3000111.7M619 V642 E643 I676 Y677 N678 L682 F685M619-F646 HydrophobicContact CE-CE1 4.37Å; V642-F646 HydrophobicContact CB-CB 3.97Å; V642-F646 HydrophobicContact CG2-CB 3.59Å; E643-F646 WeakPolarHBondContact O-CB 3.06Å; E643-F646 WeakPolarHBondContact O-CD2 3.07Å; E643-F646 PolarHBondContact O-N 2.94Å; F646-I676 HydrophobicContact CD1-CG2 4.02Å; F646-Y677 WeakPolarHBondContact CA-O 3.42Å; F646-N678 HydrophobicContact CD1-CB 3.93Å; F646-N678 HydrophobicContact CE1-CB 3.55Å; F646-N678 WeakPolarHBondContact CE1-OD1 3.3Å; F646-L682 HydrophobicContact CE2-CB 4.23Å; F646-L682 HydrophobicContact CE2-CD1 3.7Å; F646-L682 HydrophobicContact CZ-CB 3.84Å; F646-L682 HydrophobicContact CZ-CD1 4.15Å; F646-F685 HydrophobicContact CD1-CB 4.09Å; F646-F685 HydrophobicContact CD1-CG 4.47Å; F646-F685 HydrophobicContact CD2-CB 3.89Å; F646-F685 HydrophobicContact CE1-CB 3.73Å; F646-F685 HydrophobicContact CE1-CD1 4.35Å; F646-F685 HydrophobicContact CE1-CG 4.21Å; F646-F685 HydrophobicContact CE2-CB 3.54Å; F646-F685 HydrophobicContact CG-CB 4.16Å; F646-F685 HydrophobicContact CZ-CB 3.46Å; F646-F685 VanDerWaalsContact CZ-CB 3.46Å; F646-F685 HydrophobicContact CZ-CG 4.38Å
647K88.4Confident90.8Very high112 Ų11266.8 Ų66.849%0.48734%0.341SS..EExtended strand (participates in β ladder)trans-127.1138.3168.9-60.2-179.9-176.8174.60109.1L563 I676 Y677L563-K647 HydrophobicContact CD1-CB 3.75Å; K647-I676 WeakPolarHBondContact O-CA 3.25Å; K647-Y677 HydrophobicContact CB-CD1 4.41Å; K647-Y677 HydrophobicContact CD-CD1 4.21Å; K647-Y677 HydrophobicContact CG-CD1 4.4Å; K647-Y677 PolarHBondContact N-O 3.47Å; K647-Y677 VanDerWaalsContact N-O 3.15Å; K647-Y677 PolarHBondContact O-N 3.45Å
648I91.7Very high90.8Very high45 Ų4564.3 Ų64.323%0.23133%0.328CS..EExtended strand (participates in β ladder)trans-115.6141.9177.9-170.9158.3000110.5F640 V642 L674 L675 I676 L687F640-I648 HydrophobicContact CB-CD1 3.56Å; V642-I648 HydrophobicContact CG1-CB 4.23Å; V642-I648 HydrophobicContact CG1-CD1 4.02Å; V642-I648 HydrophobicContact CG2-CB 3.81Å; V642-I648 HydrophobicContact CG2-CG2 3.92Å; I648-L674 HydrophobicContact CD1-CD2 4.07Å; I648-L675 CarbonylContact C-O 3.59Å; I648-L675 WeakPolarHBondContact CA-O 3.26Å; I648-I676 HydrophobicContact CD1-CD1 4.04Å; I648-I676 HydrophobicContact CD1-CG1 4.02Å; I648-I676 HydrophobicContact CG1-CG1 4.05Å; I648-L687 HydrophobicContact CD1-CD1 3.94Å
649R90.4Very high90.7Very high65 Ų6567.9 Ų67.925%0.24535%0.351CS..EExtended strand (participates in β ladder)trans-130111.9164.9178.6180174.8-141.2-10.2107.9L563 K564 F566 L651 L675L563-R649 HydrophobicContact CB-CB 4.14Å; L563-R649 HydrophobicContact CD1-CB 4.29Å; L563-R649 WeakPolarHBondContact O-CD 3.44Å; L563-R649 PolarHBondContact O-NH1 3.03Å; K564-R649 PolarHBondContact O-NH1 2.97Å; F566-R649 PolarHBondContact O-NH1 3.22Å; R649-L651 HydrophobicContact CG-CD2 4.45Å; R649-L675 HydrophobicContact CB-CB 4.47Å; R649-L675 PolarHBondContact N-O 3.02Å; R649-L675 PolarHBondContact O-N 3.47Å
650Q91.7Very high90.6Very high68 Ų6864.4 Ų64.432%0.31835%0.347SS..EExtended strand (participates in β ladder)trans-84.4136.1167.259.3-172.558.200109.5V638V638-Q650 PolarHBondContact O-NE2 3.07Å; V638-Q650 VanDerWaalsContact O-NE2 3.15Å
651L90.9Very high90.5Very high21 Ų2166.5 Ų66.511%0.1136%0.355CS..  trans-82.6175.9169.6-56.3-168.8000109.9I568 R649 Q672 V673 L675I568-L651 HydrophobicContact CB-CD1 4.45Å; I568-L651 VanDerWaalsContact O-CD1 3.32Å; I568-L651 WeakPolarHBondContact O-CD1 3.49Å; R649-L651 HydrophobicContact CG-CD2 4.45Å; L651-Q672 VanDerWaalsContact O-CG 3.3Å; L651-Q672 WeakPolarHBondContact O-CG 3.44Å; L651-Q672 PolarHBondContact O-NE2 3.3Å; L651-V673 HydrophobicContact CB-CB 4.21Å; L651-V673 HydrophobicContact CD1-CB 3.91Å; L651-V673 HydrophobicContact CD1-CG1 4.09Å; L651-V673 HydrophobicContact CG-CB 4.09Å; L651-V673 HydrophobicContact CG-CG1 4.43Å; L651-V673 PolarHBondContact N-O 3.3Å; L651-L675 HydrophobicContact CD1-CD1 4.1Å; L651-L675 HydrophobicContact CD2-CD1 3.86Å; L651-L675 HydrophobicContact CG-CD1 3.78Å
652I91Very high90.3Very high162 Ų16269 Ų6983%0.83137%0.368SS*.  trans-64.3137176-59.5172.8000108.8
653A90.9Very high90.1Very high31 Ų3173.5 Ų73.526%0.25640%0.395SS..  trans-74.9151.7175.400000110.9G655 I670 S671 Q672A653-G655 PolarHBondContact O-N 3.19Å; A653-G655 VanDerWaalsContact O-N 3.09Å; A653-I670 HydrophobicContact CB-CG2 3.88Å; A653-S671 CarbonylContact C-O 3.47Å; A653-S671 WeakPolarHBondContact CA-O 3.48Å; A653-Q672 HydrophobicContact CB-CB 4.05Å; A653-Q672 HydrophobicContact CB-CG 4.09Å
654S91.8Very high90.1Very high77 Ų7779 Ų7954%0.53842%0.418SS..SBendtrans-67.9-8.1-177.169.30000114.9I670 S671S654-I670 WeakPolarHBondContact OG-CA 3.4Å; S654-S671 PolarHBondContact N-O 3.43Å; S654-S671 PolarHBondContact OG-N 3.01Å
655G91.5Very high90.1Very high28 Ų2874.5 Ų74.529%0.28940%0.403SS..  trans-178.6176.1178.800000110.9A653 I670A653-G655 PolarHBondContact O-N 3.19Å; A653-G655 VanDerWaalsContact O-N 3.09Å; G655-I670 WeakPolarHBondContact O-CG2 3.48Å
656Q92.6Very high90.2Very high119 Ų11977.3 Ų77.356%0.55642%0.421SS*.SBendtrans-127.1-0.5176.4-67.1-179.894.400112.8E635 I636E635-Q656 PolarHBondContact N-O 2.71Å; I636-Q656 WeakPolarHBondContact CB-O 3.35Å; I636-Q656 PolarHBondContact N-O 3.36Å
657N93.9Very high90.2Very high98 Ų9878.9 Ų78.952%0.52443%0.433SS..  trans-132.2144.9-178.2-56.1-43.8000109.5I633 T634 E635I633-N657 CarbonylContact O-C 3.58Å; I633-N657 WeakPolarHBondContact O-CA 3.45Å; T634-N657 VanDerWaalsContact CA-OD1 3.3Å; T634-N657 WeakPolarHBondContact CA-OD1 3.43Å; T634-N657 WeakPolarHBondContact CB-OD1 3.45Å; E635-N657 PolarHBondContact N-OD1 2.98Å
658L93Very high90.3Very high5 Ų575.2 Ų75.23%0.02642%0.424CS..BIsolated β-bridgetrans-120.7126.3171.5-71.1173.5000109.2I625 P632 I633 I636 A668 I670I625-L658 HydrophobicContact CG2-CD1 4.13Å; P632-L658 WeakPolarHBondContact CA-O 3.14Å; I633-L658 HydrophobicContact CB-CB 4.47Å; I633-L658 PolarHBondContact N-O 2.88Å; I633-L658 PolarHBondContact O-N 3.1Å; I636-L658 HydrophobicContact CD1-CB 3.99Å; I636-L658 HydrophobicContact CD1-CD1 3.65Å; I636-L658 HydrophobicContact CD1-CG 3.55Å; L658-A668 HydrophobicContact CD2-CB 3.98Å; L658-I670 HydrophobicContact CD1-CD1 4.47Å; L658-I670 HydrophobicContact CD2-CD1 4.08Å; L658-I670 HydrophobicContact CD2-CG1 3.86Å; L658-I670 HydrophobicContact CG-CD1 3.87Å; L658-I670 HydrophobicContact CG-CG1 4.21Å
659P92.5Very high90.4Very high81 Ų8176.1 Ų76.153%0.52643%0.434SS..PPolyproline II helixtrans-66.5162.8176.729.8-36.8000111.8A668P659-A668 HydrophobicContact CG-CB 3.66Å
660A91.1Very high90.5Very high42 Ų4273.2 Ų73.235%0.34742%0.423SS..PPolyproline II helixtrans-54.4138169.800000111.5V630 T662V630-A660 VanDerWaalsContact O-CB 3.3Å; V630-A660 WeakPolarHBondContact O-CB 3.45Å; A660-T662 PolarHBondContact O-N 3.37Å
661Y90.8Very high90.7Very high52 Ų5271.1 Ų71.120%0.20442%0.416CS..PPolyproline II helixtrans-73.8124.4-178.2175.6-117.2000112.1R628 N629 P667R628-Y661 VanDerWaalsContact C-CB 3.49Å; R628-Y661 HydrophobicContact CB-CD1 4.13Å; R628-Y661 HydrophobicContact CB-CG 4.21Å; R628-Y661 PolarHBondContact NH2-OH 3.3Å; N629-Y661 WeakPolarHBondContact O-CB 3.23Å; N629-Y661 PolarHBondContact O-N 2.92Å; Y661-P667 HydrophobicContact CD2-CB 4.38Å; Y661-P667 HydrophobicContact CD2-CG 4.25Å; Y661-P667 HydrophobicContact CE2-CB 4.4Å; Y661-P667 HydrophobicContact CE2-CG 3.81Å
662T88.5Confident90.8Very high68 Ų6870.8 Ų70.842%0.41741%0.414SS..  trans-110.5134.3174.8600000110.9A660 F664 L665A660-T662 PolarHBondContact O-N 3.37Å; T662-F664 PolarHBondContact O-N 2.91Å; T662-F664 VanDerWaalsContact O-N 3.1Å; T662-L665 PolarHBondContact O-N 3.36Å; T662-L665 VanDerWaalsContact O-O 3.12Å
663T88.1Confident90.8Very high118 Ų11863.4 Ų63.472%0.72438%0.376SS*.THydrogen-bonded Turntrans-62.3-21.7-175.5-46.80000113.9
664F87.4Confident90.9Very high199 Ų19961.9 Ų61.987%0.87336%0.364SS*.THydrogen-bonded Turntrans-87.7-11.6-177.5-59.3-71.6000114.2T662T662-F664 PolarHBondContact O-N 2.91Å; T662-F664 VanDerWaalsContact O-N 3.1Å
665L83.6Confident90.9Very high107 Ų10758.2 Ų58.256%0.5634%0.338SS*.SBendtrans-117.7153.7179-65176.9000111.1T662T662-L665 PolarHBondContact O-N 3.36Å; T662-L665 VanDerWaalsContact O-O 3.12Å
666P86.7Confident90.8Very high110 Ų11056.9 Ų56.971%0.71433%0.325SS*.PPolyproline II helixtrans-62.2147.3168.427.6-34.3000110.4A668P666-A668 PolarHBondContact O-N 3.31Å
667P88.5Confident90.7Very high49 Ų4952.6 Ų52.632%0.31830%0.303SS..PPolyproline II helixtrans-52.6129175.9-26.434.6000112.1R628 Y661R628-P667 HydrophobicContact CG-CB 4.22Å; R628-P667 HydrophobicContact CG-CG 3.97Å; Y661-P667 HydrophobicContact CD2-CB 4.38Å; Y661-P667 HydrophobicContact CD2-CG 4.25Å; Y661-P667 HydrophobicContact CE2-CB 4.4Å; Y661-P667 HydrophobicContact CE2-CG 3.81Å
668A89.5Confident90.5Very high35 Ų3548.5 Ų48.529%0.28928%0.281SS..PPolyproline II helixtrans-61.7147.9173.600000110.4S627 L658 P659 P666S627-A668 PolarHBondContact N-O 3.01Å; L658-A668 HydrophobicContact CD2-CB 3.98Å; P659-A668 HydrophobicContact CG-CB 3.66Å; P666-A668 PolarHBondContact O-N 3.31Å
669S93.2Very high90Very high63 Ų6350.6 Ų50.644%0.44130%0.295SS..EExtended strand (participates in β ladder)trans-144.3147.1-179.359.60000114.1I625I625-S669 CarbonylContact O-C 3.6Å; I625-S669 WeakPolarHBondContact O-CA 3.27Å; I625-S669 VanDerWaalsContact O-CB 3.32Å; I625-S669 WeakPolarHBondContact O-CB 3.29Å
670I94.2Very high89.3Confident4 Ų449.8 Ų49.82%0.02129%0.292CS..EExtended strand (participates in β ladder)trans-104.5129.9170.8-69.2161.7000107.8V624 I625 I636 A653 S654 G655 L658V624-I670 CarbonylContact C-O 3.6Å; V624-I670 WeakPolarHBondContact CA-O 3.28Å; I625-I670 HydrophobicContact CB-CB 4.33Å; I625-I670 HydrophobicContact CD1-CB 4.32Å; I625-I670 HydrophobicContact CD1-CG2 4.18Å; I625-I670 PolarHBondContact N-O 3.43Å; I625-I670 PolarHBondContact O-N 3.39Å; I636-I670 HydrophobicContact CB-CD1 4.11Å; I636-I670 HydrophobicContact CD1-CD1 3.65Å; I636-I670 HydrophobicContact CG1-CD1 4.47Å; I636-I670 HydrophobicContact CG2-CD1 4.21Å; A653-I670 HydrophobicContact CB-CG2 3.88Å; S654-I670 WeakPolarHBondContact OG-CA 3.4Å; G655-I670 WeakPolarHBondContact O-CG2 3.48Å; L658-I670 HydrophobicContact CD1-CD1 4.47Å; L658-I670 HydrophobicContact CD2-CD1 4.08Å; L658-I670 HydrophobicContact CD2-CG1 3.86Å; L658-I670 HydrophobicContact CG-CD1 3.87Å; L658-I670 HydrophobicContact CG-CG1 4.21Å
671S94.1Very high88.8Confident24 Ų2455.2 Ų55.217%0.16831%0.308CS..EExtended strand (participates in β ladder)trans-111.3139.5177-65.20000111.2A623 A653 S654A623-S671 CarbonylContact O-C 3.51Å; A623-S671 WeakPolarHBondContact O-CA 3.38Å; A653-S671 CarbonylContact C-O 3.47Å; A653-S671 WeakPolarHBondContact CA-O 3.48Å; S654-S671 PolarHBondContact N-O 3.43Å; S654-S671 PolarHBondContact OG-N 3.01Å
672Q93.3Very high88.4Confident15 Ų1556.4 Ų56.47%0.0732%0.317CS..EExtended strand (participates in β ladder)trans-136.6129.5176-167.9176.82100110.4V622 A623 L651 A653 L674V622-Q672 CarbonylContact C-O 3.58Å; V622-Q672 WeakPolarHBondContact CA-O 3.33Å; A623-Q672 PolarHBondContact N-O 2.8Å; A623-Q672 PolarHBondContact O-N 3.07Å; L651-Q672 VanDerWaalsContact O-CG 3.3Å; L651-Q672 WeakPolarHBondContact O-CG 3.44Å; L651-Q672 PolarHBondContact O-NE2 3.3Å; A653-Q672 HydrophobicContact CB-CB 4.05Å; A653-Q672 HydrophobicContact CB-CG 4.09Å; Q672-L674 WeakPolarHBondContact O-CD1 3.44Å
673V92.5Very high88.1Confident6 Ų661.1 Ų61.14%0.03633%0.334CS..EExtended strand (participates in β ladder)trans-87.1136.4178.9-176.20000110L570 V573 V620 F621 L651 L675L570-V673 HydrophobicContact CD1-CG2 3.71Å; V573-V673 HydrophobicContact CG2-CG2 4.48Å; V620-V673 HydrophobicContact CG1-CG1 3.71Å; F621-V673 WeakPolarHBondContact O-CA 3.24Å; L651-V673 HydrophobicContact CB-CB 4.21Å; L651-V673 HydrophobicContact CD1-CB 3.91Å; L651-V673 HydrophobicContact CD1-CG1 4.09Å; L651-V673 HydrophobicContact CG-CB 4.09Å; L651-V673 HydrophobicContact CG-CG1 4.43Å; L651-V673 PolarHBondContact N-O 3.3Å; V673-L675 HydrophobicContact CG1-CD1 4.22Å
674L92.3Very high88Confident0 Ų062.2 Ų62.20%033%0.329CS..EExtended strand (participates in β ladder)trans-121.5130176.9-48.986.5000109.7L607 V620 F621 A623 F640 I648 Q672L607-L674 HydrophobicContact CD1-CD1 3.94Å; V620-L674 WeakPolarHBondContact CA-O 3.17Å; F621-L674 HydrophobicContact CB-CB 4.37Å; F621-L674 HydrophobicContact CB-CD1 4.18Å; F621-L674 PolarHBondContact N-O 3.4Å; F621-L674 PolarHBondContact O-N 2.62Å; A623-L674 HydrophobicContact CB-CD1 3.66Å; F640-L674 HydrophobicContact CB-CD2 3.79Å; F640-L674 HydrophobicContact CD1-CD2 3.69Å; F640-L674 HydrophobicContact CD2-CD2 3.35Å; F640-L674 HydrophobicContact CD2-CG 4.21Å; F640-L674 HydrophobicContact CE1-CD2 4.03Å; F640-L674 HydrophobicContact CE2-CD2 3.71Å; F640-L674 HydrophobicContact CE2-CG 4.35Å; F640-L674 HydrophobicContact CG-CD2 3.32Å; F640-L674 HydrophobicContact CZ-CD2 4.03Å; I648-L674 HydrophobicContact CD1-CD2 4.07Å; Q672-L674 WeakPolarHBondContact O-CD1 3.44Å
675L91.1Very high88.1Confident0 Ų053 Ų530%029%0.289CS..EExtended strand (participates in β ladder)trans-107124.1171.4-63.982.9000108.4L563 F566 I568 V618 M619 V620 I648 R649 L651 V673L563-L675 HydrophobicContact CD2-CB 3.96Å; F566-L675 HydrophobicContact CB-CD2 3.64Å; F566-L675 HydrophobicContact CD2-CD2 4.49Å; F566-L675 HydrophobicContact CG-CD2 4.42Å; I568-L675 HydrophobicContact CD1-CD2 3.94Å; I568-L675 HydrophobicContact CD1-CG 4.35Å; V618-L675 HydrophobicContact CG1-CB 4.22Å; V618-L675 HydrophobicContact CG1-CD2 4.43Å; M619-L675 WeakPolarHBondContact O-CA 3.48Å; V620-L675 HydrophobicContact CG2-CG 4.37Å; I648-L675 CarbonylContact C-O 3.59Å; I648-L675 WeakPolarHBondContact CA-O 3.26Å; R649-L675 HydrophobicContact CB-CB 4.47Å; R649-L675 PolarHBondContact N-O 3.02Å; R649-L675 PolarHBondContact O-N 3.47Å; L651-L675 HydrophobicContact CD1-CD1 4.1Å; L651-L675 HydrophobicContact CD2-CD1 3.86Å; L651-L675 HydrophobicContact CG-CD1 3.78Å; V673-L675 HydrophobicContact CG1-CD1 4.22Å
676I91Very high88.4Confident0 Ų050.3 Ų50.30%027%0.274CS..EExtended strand (participates in β ladder)trans-121.3115.6-178.9-57.4-175.5000109V618 M619 F621 V642 F646 K647 I648 F685 L687V618-I676 WeakPolarHBondContact CA-O 3.35Å; M619-I676 HydrophobicContact CE-CB 4.03Å; M619-I676 HydrophobicContact CE-CG2 3.69Å; M619-I676 PolarHBondContact N-O 3.3Å; M619-I676 PolarHBondContact O-N 3.44Å; F621-I676 HydrophobicContact CD2-CD1 3.9Å; F621-I676 HydrophobicContact CD2-CG1 4.25Å; F621-I676 HydrophobicContact CE2-CB 4.45Å; F621-I676 HydrophobicContact CE2-CD1 3.85Å; F621-I676 HydrophobicContact CE2-CG1 4.33Å; V642-I676 HydrophobicContact CG1-CD1 4.28Å; F646-I676 HydrophobicContact CD1-CG2 4.02Å; K647-I676 WeakPolarHBondContact O-CA 3.25Å; I648-I676 HydrophobicContact CD1-CD1 4.04Å; I648-I676 HydrophobicContact CD1-CG1 4.02Å; I648-I676 HydrophobicContact CG1-CG1 4.05Å; I676-F685 HydrophobicContact CD1-CD2 4.41Å; I676-F685 HydrophobicContact CD1-CE2 3.39Å; I676-F685 HydrophobicContact CD1-CZ 3.61Å; I676-F685 HydrophobicContact CG2-CE2 4.32Å; I676-L687 HydrophobicContact CD1-CD1 4.31Å
677Y90.6Very high88.7Confident28 Ų2845.1 Ų45.111%0.1124%0.24CC..EExtended strand (participates in β ladder)trans-90.3126.1176.9175.9-122.5000110.6I561 D617 V618 F646 K647 P679I561-Y677 HydrophobicContact CB-CE2 4.31Å; I561-Y677 HydrophobicContact CD1-CE2 3.6Å; D617-Y677 HydrophobicContact CB-CD2 3.96Å; D617-Y677 HydrophobicContact CB-CE2 3.67Å; D617-Y677 CarbonylContact O-C 3.56Å; D617-Y677 WeakPolarHBondContact O-CA 3.42Å; D617-Y677 WeakPolarHBondContact O-CD2 3.44Å; V618-Y677 HydrophobicContact CG2-CD2 3.81Å; V618-Y677 HydrophobicContact CG2-CG 4.48Å; F646-Y677 WeakPolarHBondContact CA-O 3.42Å; K647-Y677 HydrophobicContact CB-CD1 4.41Å; K647-Y677 HydrophobicContact CD-CD1 4.21Å; K647-Y677 HydrophobicContact CG-CD1 4.4Å; K647-Y677 PolarHBondContact N-O 3.47Å; K647-Y677 VanDerWaalsContact N-O 3.15Å; K647-Y677 PolarHBondContact O-N 3.45Å; Y677-P679 HydrophobicContact CD1-CB 4.33Å; Y677-P679 HydrophobicContact CD1-CG 4.21Å; Y677-P679 HydrophobicContact CE1-CB 3.58Å; Y677-P679 HydrophobicContact CE1-CG 3.89Å; Y677-P679 VanDerWaalsContact O-CD 3.27Å; Y677-P679 WeakPolarHBondContact O-CD 3.42Å
678N89.2Confident88.9Confident12 Ų1245.3 Ų45.36%0.06424%0.236CC..  trans-112.979.5179.6-175.8-0.6000110.5D617 M619 F646 S680 K681 L682 C710D617-N678 PolarHBondContact O-N 2.96Å; M619-N678 HydrophobicContact CE-CB 4.29Å; F646-N678 HydrophobicContact CD1-CB 3.93Å; F646-N678 HydrophobicContact CE1-CB 3.55Å; F646-N678 WeakPolarHBondContact CE1-OD1 3.3Å; N678-S680 PolarHBondContact O-N 2.89Å; N678-K681 PolarHBondContact O-N 3.48Å; N678-K681 WeakPolarHBondContact OD1-CA 3.34Å; N678-K681 PolarHBondContact OD1-N 3.26Å; N678-L682 PolarHBondContact ND2-N 3.01Å; N678-L682 PolarHBondContact ND2-O 3.28Å; N678-L682 PolarHBondContact OD1-N 3.46Å; N678-L682 VanDerWaalsContact OD1-N 3.13Å; N678-C710 PolarHBondContact ND2-SG 2.98Å; N678-C710 VanDerWaalsContact ND2-SG 3.4Å
679P81.9Confident89.1Confident49 Ų4944 Ų4432%0.31822%0.224SC..THydrogen-bonded Turntrans-64.9-23.4-178.124.8-33.4000113.9P645 Y677P645-P679 HydrophobicContact CB-CG 4.07Å; P645-P679 VanDerWaalsContact O-CG 3.22Å; P645-P679 WeakPolarHBondContact O-CG 3.41Å; Y677-P679 HydrophobicContact CD1-CB 4.33Å; Y677-P679 HydrophobicContact CD1-CG 4.21Å; Y677-P679 HydrophobicContact CE1-CB 3.58Å; Y677-P679 HydrophobicContact CE1-CG 3.89Å; Y677-P679 VanDerWaalsContact O-CD 3.27Å; Y677-P679 WeakPolarHBondContact O-CD 3.42Å
680S77.8Confident89.1Confident65 Ų6543.4 Ų43.446%0.45521%0.214SC..THydrogen-bonded Turntrans-102.34-172.3-60.40000113.5P645 N678 L682P645-S680 VanDerWaalsContact CG-OG 3.29Å; P645-S680 WeakPolarHBondContact CG-OG 3.08Å; N678-S680 PolarHBondContact O-N 2.89Å; S680-L682 PolarHBondContact O-N 3.09Å; S680-L682 VanDerWaalsContact O-N 3.11Å
681K80.1Confident89Confident156 Ų15643.2 Ų43.268%0.67821%0.213SC*.  trans49.236.2-179.5-60-177.1177.5-179.60113.2D617 N678D617-K681 WeakPolarHBondContact OD1-CE 3.39Å; D617-K681 IonicContact OD1-NZ 3.2Å; N678-K681 PolarHBondContact O-N 3.48Å; N678-K681 WeakPolarHBondContact OD1-CA 3.34Å; N678-K681 PolarHBondContact OD1-N 3.26Å
682L82.4Confident89Confident77 Ų7743.9 Ų43.940%0.40322%0.218SC..  trans-69.3146.3177.5-66.5168.6000109.6P645 F646 N678 S680 K684 C710P645-L682 HydrophobicContact CG-CD1 3.92Å; F646-L682 HydrophobicContact CE2-CB 4.23Å; F646-L682 HydrophobicContact CE2-CD1 3.7Å; F646-L682 HydrophobicContact CZ-CB 3.84Å; F646-L682 HydrophobicContact CZ-CD1 4.15Å; N678-L682 PolarHBondContact ND2-N 3.01Å; N678-L682 PolarHBondContact ND2-O 3.28Å; N678-L682 PolarHBondContact OD1-N 3.46Å; N678-L682 VanDerWaalsContact OD1-N 3.13Å; S680-L682 PolarHBondContact O-N 3.09Å; S680-L682 VanDerWaalsContact O-N 3.11Å; L682-K684 VanDerWaalsContact C-N 3.34Å; L682-K684 PolarHBondContact O-N 3.06Å; L682-C710 PolarHBondContact O-SG 2.6Å
683E83.8Confident89Confident166 Ų16643.3 Ų43.378%0.77622%0.215SC*.SBendtrans-72.4-26.8-177-63-177.9169.100113.4P709 C710E683-P709 WeakPolarHBondContact O-CA 3.35Å; E683-C710 PolarHBondContact O-N 3.01Å
684K86.1Confident89Confident142 Ų14245 Ų4562%0.61722%0.224SC*.EExtended strand (participates in β ladder)trans-140.4156-175-62.1-176.8-177.5-179.50112L682 L708L682-K684 VanDerWaalsContact C-N 3.34Å; L682-K684 PolarHBondContact O-N 3.06Å; K684-L708 CarbonylContact C-O 3.54Å; K684-L708 WeakPolarHBondContact CA-O 3.44Å
685F89.2Confident89Confident6 Ų646 Ų463%0.02623%0.229CC..EExtended strand (participates in β ladder)trans-142.9151.9173.768.1-78.8000111.9M619 F621 V642 F646 I676 L687 L708 C710M619-F685 HydrophobicContact CE-CD1 4.17Å; M619-F685 HydrophobicContact CE-CE1 3.79Å; M619-F685 HydrophobicContact CE-CZ 4.34Å; M619-F685 HydrophobicContact SD-CE1 4.43Å; F621-F685 HydrophobicContact CE2-CE1 4.44Å; F621-F685 AromaticContact CE2-CZ 3.91Å; F621-F685 HydrophobicContact CE2-CZ 3.91Å; F621-F685 HydrophobicContact CZ-CE1 4.12Å; F621-F685 AromaticContact CZ-CZ 3.81Å; F621-F685 HydrophobicContact CZ-CZ 3.81Å; V642-F685 HydrophobicContact CG1-CD2 3.98Å; V642-F685 HydrophobicContact CG1-CE2 4.22Å; F646-F685 HydrophobicContact CD1-CB 4.09Å; F646-F685 HydrophobicContact CD1-CG 4.47Å; F646-F685 HydrophobicContact CD2-CB 3.89Å; F646-F685 HydrophobicContact CE1-CB 3.73Å; F646-F685 HydrophobicContact CE1-CD1 4.35Å; F646-F685 HydrophobicContact CE1-CG 4.21Å; F646-F685 HydrophobicContact CE2-CB 3.54Å; F646-F685 HydrophobicContact CG-CB 4.16Å; F646-F685 HydrophobicContact CZ-CB 3.46Å; F646-F685 VanDerWaalsContact CZ-CB 3.46Å; F646-F685 HydrophobicContact CZ-CG 4.38Å; I676-F685 HydrophobicContact CD1-CD2 4.41Å; I676-F685 HydrophobicContact CD1-CE2 3.39Å; I676-F685 HydrophobicContact CD1-CZ 3.61Å; I676-F685 HydrophobicContact CG2-CE2 4.32Å; F685-L687 HydrophobicContact CD2-CB 4.39Å; F685-L687 HydrophobicContact CE2-CB 4.01Å; F685-L687 HydrophobicContact CE2-CD1 4.39Å; F685-L708 HydrophobicContact CD1-CB 3.93Å; F685-L708 WeakPolarHBondContact CD1-O 3.43Å; F685-L708 HydrophobicContact CD2-CB 4.45Å; F685-L708 HydrophobicContact CE1-CB 3.52Å; F685-L708 HydrophobicContact CE1-CD1 4.31Å; F685-L708 HydrophobicContact CE2-CB 4.07Å; F685-L708 HydrophobicContact CE2-CD1 3.72Å; F685-L708 HydrophobicContact CE2-CG 4.29Å; F685-L708 HydrophobicContact CG-CB 4.4Å; F685-L708 HydrophobicContact CZ-CB 3.6Å; F685-L708 HydrophobicContact CZ-CD1 3.51Å; F685-L708 HydrophobicContact CZ-CG 4.11Å; F685-L708 PolarHBondContact N-O 2.69Å; F685-L708 PolarHBondContact O-N 3.19Å; F685-C710 VanDerWaalsContact CD1-SG 3.54Å
686I90.2Very high88.9Confident49 Ų4952.1 Ų52.125%0.25126%0.262SS..EExtended strand (participates in β ladder)trans-88114.7172.5-60.4171.1000107.8E643 K688 K705 D707E643-I686 HydrophobicContact CG-CB 4.44Å; I686-K688 HydrophobicContact CG2-CG 4.09Å; I686-K705 HydrophobicContact CG2-CB 4.21Å; I686-D707 WeakPolarHBondContact CG1-OD1 3.43Å
687L91.3Very high88.6Confident1 Ų157.8 Ų57.81%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-91.6120.4165.9-174.468.3000108.7L585 L607 F640 V642 I648 I676 F685 K705 L706 L708L585-L687 HydrophobicContact CD1-CD2 4.27Å; L607-L687 HydrophobicContact CD2-CD2 3.83Å; F640-L687 HydrophobicContact CB-CD1 4.17Å; F640-L687 HydrophobicContact CD1-CD1 4.16Å; F640-L687 HydrophobicContact CD1-CD2 4.09Å; F640-L687 HydrophobicContact CD1-CG 4.28Å; F640-L687 HydrophobicContact CE1-CD2 4.44Å; V642-L687 HydrophobicContact CG1-CD1 3.88Å; I648-L687 HydrophobicContact CD1-CD1 3.94Å; I676-L687 HydrophobicContact CD1-CD1 4.31Å; F685-L687 HydrophobicContact CD2-CB 4.39Å; F685-L687 HydrophobicContact CE2-CB 4.01Å; F685-L687 HydrophobicContact CE2-CD1 4.39Å; L687-K705 CarbonylContact O-C 3.55Å; L687-K705 VanDerWaalsContact O-CA 3.3Å; L687-K705 WeakPolarHBondContact O-CA 3.28Å; L687-L706 PolarHBondContact N-O 3.32Å; L687-L706 PolarHBondContact O-N 3.42Å; L687-L708 HydrophobicContact CB-CD1 3.64Å; L687-L708 HydrophobicContact CB-CG 4.1Å; L687-L708 HydrophobicContact CD2-CD1 3.64Å; L687-L708 HydrophobicContact CG-CD1 4.25Å
688K92.8Very high88.5Confident54 Ų5462.3 Ų62.324%0.23532%0.323CS..EExtended strand (participates in β ladder)trans-98.2139.2169.5-59.7179.4-174.4173.80108.2L422 F640 G641 E643 I686 G704 K705L422-K688 HydrophobicContact CD2-CD 4.5Å; F640-K688 CarbonylContact C-O 3.59Å; F640-K688 WeakPolarHBondContact CA-O 3.44Å; G641-K688 PolarHBondContact N-O 2.98Å; G641-K688 PolarHBondContact O-N 2.69Å; E643-K688 WeakPolarHBondContact OE1-CE 3.38Å; E643-K688 IonicContact OE1-NZ 2.68Å; E643-K688 PolarHBondContact OE1-NZ 3.46Å; I686-K688 HydrophobicContact CG2-CG 4.09Å; K688-G704 WeakPolarHBondContact CA-O 3.47Å; K688-K705 HydrophobicContact CG-CB 4.21Å
689F93.6Very high88.5Confident8 Ų866.4 Ų66.44%0.03535%0.353CS..EExtended strand (participates in β ladder)trans-128.5150.3173.674.3-91.4000110.8L585 L605 R639 F640 L691 S703 G704L585-F689 HydrophobicContact CB-CD1 3.95Å; L585-F689 HydrophobicContact CB-CE1 3.78Å; L585-F689 HydrophobicContact CB-CZ 4.25Å; L585-F689 HydrophobicContact CD1-CD1 4.36Å; L585-F689 WeakPolarHBondContact O-CE1 3.35Å; L585-F689 WeakPolarHBondContact O-CZ 3.45Å; L605-F689 HydrophobicContact CD2-CD2 3.83Å; L605-F689 HydrophobicContact CD2-CE2 4.25Å; L605-F689 HydrophobicContact CD2-CG 4.16Å; R639-F689 CarbonylContact O-C 3.6Å; R639-F689 WeakPolarHBondContact O-CA 3.44Å; F640-F689 HydrophobicContact CD1-CB 3.94Å; F640-F689 HydrophobicContact CE1-CB 3.99Å; F689-L691 HydrophobicContact CD2-CB 4.38Å; F689-S703 VanDerWaalsContact O-CA 3.3Å; F689-S703 WeakPolarHBondContact O-CA 3.48Å; F689-G704 VanDerWaalsContact CE1-CA 3.42Å; F689-G704 PolarHBondContact N-O 3.36Å; F689-G704 PolarHBondContact O-N 2.99Å
690Q93.1Very high89Confident49 Ų4964.6 Ų64.623%0.22934%0.341CS..EExtended strand (participates in β ladder)trans-132.2119.4169.9178.4176.342.500106.9V638 R639 L701 E702V638-Q690 WeakPolarHBondContact CA-O 3.36Å; R639-Q690 HydrophobicContact CB-CB 4.41Å; R639-Q690 PolarHBondContact N-O 3.12Å; R639-Q690 PolarHBondContact O-N 3.22Å; Q690-L701 HydrophobicContact CG-CD1 3.68Å; Q690-E702 CarbonylContact C-O 3.55Å; Q690-E702 WeakPolarHBondContact CA-O 3.4Å
691L93.7Very high89.6Confident0 Ų065.3 Ų65.30%034%0.339CS..EExtended strand (participates in β ladder)trans-114.3117-178.9162.463.3000107.5Y586 I636 V638 F689 F693 E702Y586-L691 HydrophobicContact CD1-CD2 4.19Å; Y586-L691 HydrophobicContact CG-CD2 4.17Å; I636-L691 HydrophobicContact CG2-CD1 4.28Å; V638-L691 HydrophobicContact CG2-CB 4.34Å; V638-L691 HydrophobicContact CG2-CD1 3.57Å; F689-L691 HydrophobicContact CD2-CB 4.38Å; L691-F693 HydrophobicContact CD1-CD1 3.93Å; L691-F693 HydrophobicContact CD2-CD1 4.34Å; L691-F693 HydrophobicContact CD2-CE1 4.11Å; L691-F693 HydrophobicContact CG-CD1 3.86Å; L691-F693 HydrophobicContact CG-CE1 4.03Å; L691-E702 HydrophobicContact CB-CB 4.44Å; L691-E702 PolarHBondContact N-O 3.1Å; L691-E702 PolarHBondContact O-N 3.47Å
692S93.7Very high90.2Very high39 Ų3960.5 Ų60.527%0.27332%0.319SS..EExtended strand (participates in β ladder)trans-115.4144.9170.567.40000110.6I636 N637 I700I636-S692 CarbonylContact C-O 3.54Å; I636-S692 WeakPolarHBondContact CA-O 3.43Å; N637-S692 WeakPolarHBondContact CB-OG 3.34Å; N637-S692 PolarHBondContact N-O 3.38Å; N637-S692 PolarHBondContact O-N 2.93Å; S692-I700 VanDerWaalsContact CA-O 3.28Å; S692-I700 WeakPolarHBondContact CA-O 3.45Å
693F93.9Very high90.5Very high3 Ų359.4 Ų59.41%0.01332%0.318CS..EExtended strand (participates in β ladder)trans-159.9161.2175.256.7-86.6000110.7Y601 I603 I633 I636 L691 L695 I700Y601-F693 HydrophobicContact CD2-CE2 4.28Å; Y601-F693 AromaticContact CD2-CZ 3.66Å; Y601-F693 HydrophobicContact CD2-CZ 3.66Å; Y601-F693 HydrophobicContact CE2-CZ 4.31Å; Y601-F693 HydrophobicContact CG-CE2 4.04Å; Y601-F693 AromaticContact CG-CZ 3.86Å; Y601-F693 HydrophobicContact CG-CZ 3.86Å; I603-F693 HydrophobicContact CD1-CD1 4.11Å; I603-F693 HydrophobicContact CD1-CE1 4.23Å; I603-F693 HydrophobicContact CD1-CG 4.33Å; I603-F693 HydrophobicContact CG2-CE1 4.14Å; I603-F693 HydrophobicContact CG2-CZ 3.91Å; I633-F693 HydrophobicContact CG2-CB 3.62Å; I633-F693 HydrophobicContact CG2-CD2 3.65Å; I633-F693 HydrophobicContact CG2-CG 3.94Å; I636-F693 HydrophobicContact CG1-CB 3.88Å; L691-F693 HydrophobicContact CD1-CD1 3.93Å; L691-F693 HydrophobicContact CD2-CD1 4.34Å; L691-F693 HydrophobicContact CD2-CE1 4.11Å; L691-F693 HydrophobicContact CG-CD1 3.86Å; L691-F693 HydrophobicContact CG-CE1 4.03Å; F693-L695 HydrophobicContact CD2-CB 4.26Å; F693-L695 HydrophobicContact CE2-CB 4.27Å; F693-I700 HydrophobicContact CD2-CB 4.22Å; F693-I700 HydrophobicContact CD2-CD1 4.1Å; F693-I700 HydrophobicContact CE1-CB 4.19Å; F693-I700 HydrophobicContact CE1-CG2 3.76Å; F693-I700 HydrophobicContact CE2-CB 3.85Å; F693-I700 HydrophobicContact CE2-CD1 3.4Å; F693-I700 HydrophobicContact CE2-CG1 4.24Å; F693-I700 HydrophobicContact CE2-CG2 4.03Å; F693-I700 HydrophobicContact CZ-CB 3.83Å; F693-I700 HydrophobicContact CZ-CD1 3.95Å; F693-I700 HydrophobicContact CZ-CG2 3.48Å; F693-I700 VanDerWaalsContact CZ-CG2 3.48Å; F693-I700 PolarHBondContact N-O 3.03Å; F693-I700 PolarHBondContact O-N 3.25Å
694I92.4Very high90.7Very high42 Ų4252.4 Ų52.422%0.21529%0.29CS..EExtended strand (participates in β ladder)trans-107.6128.8172.2-60.8176.2000108.7I633 T634 E635 E698I633-I694 WeakPolarHBondContact CA-O 3.25Å; I633-I694 WeakPolarHBondContact CG2-O 3.49Å; T634-I694 PolarHBondContact N-O 2.73Å; T634-I694 PolarHBondContact O-N 3.45Å; E635-I694 HydrophobicContact CB-CD1 3.99Å; E635-I694 HydrophobicContact CB-CG1 4.19Å; E635-I694 VanDerWaalsContact CD-CD1 3.5Å; E635-I694 HydrophobicContact CG-CD1 3.96Å; I694-E698 WeakPolarHBondContact CA-O 3.48Å
695L91.2Very high90.9Very high19 Ų1953.2 Ų53.210%0.09929%0.294CS..EExtended strand (participates in β ladder)trans-133.4127.9174.4170.169.1000107.6Y601 N629 L631 I633 F693 S697 E698 I700Y601-L695 HydrophobicContact CD1-CD2 3.66Å; Y601-L695 HydrophobicContact CG-CD2 4.26Å; N629-L695 VanDerWaalsContact ND2-CD1 3.34Å; N629-L695 WeakPolarHBondContact ND2-CD1 3.4Å; N629-L695 WeakPolarHBondContact ND2-CD2 3.38Å; L631-L695 HydrophobicContact CB-CD1 3.85Å; L631-L695 HydrophobicContact CD1-CD1 4.35Å; I633-L695 HydrophobicContact CG1-CD1 4.15Å; F693-L695 HydrophobicContact CD2-CB 4.26Å; F693-L695 HydrophobicContact CE2-CB 4.27Å; L695-S697 PolarHBondContact O-N 3.12Å; L695-E698 PolarHBondContact N-O 3.48Å; L695-E698 WeakPolarHBondContact O-CA 3.44Å; L695-E698 WeakPolarHBondContact O-CB 3.41Å; L695-E698 PolarHBondContact O-N 3.15Å; L695-I700 HydrophobicContact CB-CD1 3.97Å; L695-I700 HydrophobicContact CD2-CD1 4.28Å
696D88.4Confident90.8Very high130 Ų13055.5 Ų55.570%0.69531%0.306SS*.THydrogen-bonded Turntrans5139.7178.6-155.824.2000114L631 E698L631-D696 HydrophobicContact CD1-CB 3.86Å; D696-E698 PolarHBondContact O-N 2.85Å; D696-E698 VanDerWaalsContact O-N 3.16Å
697S84.6Confident90.6Very high119 Ų11958.8 Ų58.883%0.83232%0.324SS*.THydrogen-bonded Turntrans651.1-172.3-45.20000116.3L695L695-S697 PolarHBondContact O-N 3.12Å
698E89.1Confident90.3Very high122 Ų12258.7 Ų58.757%0.5732%0.324SS*.EExtended strand (participates in β ladder)trans-86.7124.9171.5-170.2174.9-172.800110.8I694 L695 D696 I700I694-E698 WeakPolarHBondContact CA-O 3.48Å; L695-E698 PolarHBondContact N-O 3.48Å; L695-E698 WeakPolarHBondContact O-CA 3.44Å; L695-E698 WeakPolarHBondContact O-CB 3.41Å; L695-E698 PolarHBondContact O-N 3.15Å; D696-E698 PolarHBondContact O-N 2.85Å; D696-E698 VanDerWaalsContact O-N 3.16Å; E698-I700 HydrophobicContact CG-CG1 4.24Å; E698-I700 PolarHBondContact O-N 3.44Å
699S90.2Very high89.9Confident99 Ų9958.7 Ų58.769%0.69233%0.329SS*.EExtended strand (participates in β ladder)trans-84.3109174.163.30000110.6
700I91.2Very high89Confident10 Ų1059.4 Ų59.45%0.05134%0.335CS..EExtended strand (participates in β ladder)trans-100.7138.1-177.5-64.5152.5000109.5Y601 S692 F693 L695 E698 E702Y601-I700 HydrophobicContact CD1-CD1 3.57Å; Y601-I700 HydrophobicContact CD2-CD1 4.42Å; Y601-I700 HydrophobicContact CD2-CG2 4.33Å; Y601-I700 HydrophobicContact CE1-CD1 3.38Å; Y601-I700 HydrophobicContact CE1-CG1 4.14Å; Y601-I700 HydrophobicContact CE2-CD1 4.27Å; Y601-I700 HydrophobicContact CE2-CG2 3.77Å; Y601-I700 HydrophobicContact CG-CD1 4.08Å; S692-I700 VanDerWaalsContact CA-O 3.28Å; S692-I700 WeakPolarHBondContact CA-O 3.45Å; F693-I700 HydrophobicContact CD2-CB 4.22Å; F693-I700 HydrophobicContact CD2-CD1 4.1Å; F693-I700 HydrophobicContact CE1-CB 4.19Å; F693-I700 HydrophobicContact CE1-CG2 3.76Å; F693-I700 HydrophobicContact CE2-CB 3.85Å; F693-I700 HydrophobicContact CE2-CD1 3.4Å; F693-I700 HydrophobicContact CE2-CG1 4.24Å; F693-I700 HydrophobicContact CE2-CG2 4.03Å; F693-I700 HydrophobicContact CZ-CB 3.83Å; F693-I700 HydrophobicContact CZ-CD1 3.95Å; F693-I700 HydrophobicContact CZ-CG2 3.48Å; F693-I700 VanDerWaalsContact CZ-CG2 3.48Å; F693-I700 PolarHBondContact N-O 3.03Å; F693-I700 PolarHBondContact O-N 3.25Å; L695-I700 HydrophobicContact CB-CD1 3.97Å; L695-I700 HydrophobicContact CD2-CD1 4.28Å; E698-I700 HydrophobicContact CG-CG1 4.24Å; E698-I700 PolarHBondContact O-N 3.44Å; I700-E702 HydrophobicContact CG2-CG 4.03Å
701L91.8Very high87.6Confident80 Ų8060.2 Ų60.242%0.41936%0.356SS..EExtended strand (participates in β ladder)trans-132.8109.9178.1-17767.8000110.5Q690Q690-L701 HydrophobicContact CG-CD1 3.68Å
702E90.7Very high87.3Confident56 Ų5663.2 Ų63.226%0.26237%0.374SS..EExtended strand (participates in β ladder)trans-110.2148.3-179.7-69.7-75.5-161.200110.5Y586 Q690 L691 I700Y586-E702 HydrophobicContact CD2-CB 4.07Å; Y586-E702 HydrophobicContact CD2-CG 4.25Å; Y586-E702 HydrophobicContact CE2-CB 3.74Å; Y586-E702 HydrophobicContact CE2-CG 3.43Å; Y586-E702 VanDerWaalsContact CE2-CG 3.43Å; Y586-E702 WeakPolarHBondContact CE2-OE1 3.43Å; Y586-E702 PolarHBondContact OH-OE1 3.23Å; Q690-E702 CarbonylContact C-O 3.55Å; Q690-E702 WeakPolarHBondContact CA-O 3.4Å; L691-E702 HydrophobicContact CB-CB 4.44Å; L691-E702 PolarHBondContact N-O 3.1Å; L691-E702 PolarHBondContact O-N 3.47Å; I700-E702 HydrophobicContact CG2-CG 4.03Å
703S89.8Confident87Confident54 Ų5464.5 Ų64.538%0.37838%0.379SS..EExtended strand (participates in β ladder)trans-152.9141.5-178.6-67.60000111.7F689F689-S703 VanDerWaalsContact O-CA 3.3Å; F689-S703 WeakPolarHBondContact O-CA 3.48Å
704G88.8Confident86.6Confident19 Ų1967.9 Ų67.920%0.19640%0.399CS..EExtended strand (participates in β ladder)trans-154.1174.9-178.200000113.2K688 F689K688-G704 WeakPolarHBondContact CA-O 3.47Å; F689-G704 VanDerWaalsContact CE1-CA 3.42Å; F689-G704 PolarHBondContact N-O 3.36Å; F689-G704 PolarHBondContact O-N 2.99Å
705K89.6Confident86.2Confident158 Ų15869.4 Ų69.469%0.68741%0.41SS*.EExtended strand (participates in β ladder)trans-139.5143.2177.165-179.4-177.5176.60109.7I686 L687 K688I686-K705 HydrophobicContact CG2-CB 4.21Å; L687-K705 CarbonylContact O-C 3.55Å; L687-K705 VanDerWaalsContact O-CA 3.3Å; L687-K705 WeakPolarHBondContact O-CA 3.28Å; K688-K705 HydrophobicContact CG-CB 4.21Å
706L86.2Confident85.9Confident55 Ų5572.6 Ų72.629%0.28843%0.43SS..EExtended strand (participates in β ladder)trans-142.5136.3179.9-169.256.9000111.2L583 L585 L687 L708L583-L706 HydrophobicContact CD1-CD2 4.05Å; L583-L706 HydrophobicContact CD2-CD2 3.59Å; L583-L706 HydrophobicContact CD2-CG 4.48Å; L583-L706 HydrophobicContact CG-CD2 3.65Å; L585-L706 HydrophobicContact CD2-CB 4.35Å; L585-L706 HydrophobicContact CD2-CD2 3.44Å; L585-L706 VanDerWaalsContact CD2-CD2 3.44Å; L687-L706 PolarHBondContact N-O 3.32Å; L687-L706 PolarHBondContact O-N 3.42Å; L706-L708 HydrophobicContact CB-CD2 4.39Å; L706-L708 HydrophobicContact CD2-CD2 3.89Å; L706-L708 HydrophobicContact CG-CD2 3.87Å
707D87.2Confident85.7Confident117 Ų11768.7 Ų68.763%0.62641%0.412SS*.EExtended strand (participates in β ladder)trans-81.2114.6173.9-67.3-28000109.5I686I686-D707 WeakPolarHBondContact CG1-OD1 3.43Å
708L84.7Confident85.8Confident0 Ų065.1 Ų65.10%038%0.382CS..EExtended strand (participates in β ladder)trans-109.4135.5-177.4-60.6-169.6000111.6L583 L607 K684 F685 L687 L706L583-L708 HydrophobicContact CD2-CD2 3.17Å; L607-L708 HydrophobicContact CD2-CD1 3.49Å; L607-L708 VanDerWaalsContact CD2-CD1 3.49Å; K684-L708 CarbonylContact C-O 3.54Å; K684-L708 WeakPolarHBondContact CA-O 3.44Å; F685-L708 HydrophobicContact CD1-CB 3.93Å; F685-L708 WeakPolarHBondContact CD1-O 3.43Å; F685-L708 HydrophobicContact CD2-CB 4.45Å; F685-L708 HydrophobicContact CE1-CB 3.52Å; F685-L708 HydrophobicContact CE1-CD1 4.31Å; F685-L708 HydrophobicContact CE2-CB 4.07Å; F685-L708 HydrophobicContact CE2-CD1 3.72Å; F685-L708 HydrophobicContact CE2-CG 4.29Å; F685-L708 HydrophobicContact CG-CB 4.4Å; F685-L708 HydrophobicContact CZ-CB 3.6Å; F685-L708 HydrophobicContact CZ-CD1 3.51Å; F685-L708 HydrophobicContact CZ-CG 4.11Å; F685-L708 PolarHBondContact N-O 2.69Å; F685-L708 PolarHBondContact O-N 3.19Å; L687-L708 HydrophobicContact CB-CD1 3.64Å; L687-L708 HydrophobicContact CB-CG 4.1Å; L687-L708 HydrophobicContact CD2-CD1 3.64Å; L687-L708 HydrophobicContact CG-CD1 4.25Å; L706-L708 HydrophobicContact CB-CD2 4.39Å; L706-L708 HydrophobicContact CD2-CD2 3.89Å; L706-L708 HydrophobicContact CG-CD2 3.87Å
709P83.7Confident85.6Confident53 Ų5360.8 Ų60.834%0.34437%0.367SS..EExtended strand (participates in β ladder)trans-69.4149.1165.231.1-34.6000111.3Y609 E683 G711Y609-P709 WeakPolarHBondContact OH-CD 3.5Å; Y609-P709 WeakPolarHBondContact OH-CG 3.25Å; E683-P709 WeakPolarHBondContact O-CA 3.35Å; P709-G711 VanDerWaalsContact C-N 3.35Å
710C75.5Confident85.2Confident24 Ų2457.6 Ų57.616%0.16234%0.34CS..  trans-87.30.9176-65.50000114.4M619 N678 L682 E683 F685M619-C710 HydrophobicContact CE-CB 4.28Å; M619-C710 WeakPolarHBondContact SD-CA 3.46Å; M619-C710 HydrophobicContact SD-CB 3.63Å; N678-C710 PolarHBondContact ND2-SG 2.98Å; N678-C710 VanDerWaalsContact ND2-SG 3.4Å; L682-C710 PolarHBondContact O-SG 2.6Å; E683-C710 PolarHBondContact O-N 3.01Å; F685-C710 VanDerWaalsContact CD1-SG 3.54Å
711G63.1Low84.6Confident65 Ų6561.9 Ų61.967%0.6737%0.366SS*.  trans-144.10-171.800000111.6P709P709-G711 VanDerWaalsContact C-N 3.35Å

Retrieved 711 of 711 residues in 284.6 ms (Link to these results)

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