A0A5K4F497_SCHMA Loading...

Glyco_hydro_5_C domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F497, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 259 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
1M88.2Confident93Very high116 Ų11673.5 Ų73.557%0.57137%0.374SS*.  0133.30178.9178.6160.200108.3N3 F47 T138M1-N3 HydrophobicContact CE-CB 4.01Å; M1-N3 WeakPolarHBondContact CE-OD1 3.48Å; M1-F47 HydrophobicContact CB-CB 3.96Å; M1-F47 HydrophobicContact CG-CB 4.1Å; M1-T138 HydrophobicContact CE-CG2 3.87Å; M1-T138 HydrophobicContact SD-CG2 3.79Å
2I91.2Very high93.3Very high38 Ų3879.6 Ų79.620%0.19541%0.407CS..  trans-111.298174.9-61.194000106.1P5 F29 Y30 L33 I46 F47I2-P5 HydrophobicContact CG2-CB 4.37Å; I2-P5 HydrophobicContact CG2-CG 4.32Å; I2-F29 HydrophobicContact CG2-CE1 4.05Å; I2-F29 HydrophobicContact CG2-CZ 4.37Å; I2-Y30 HydrophobicContact CB-CE1 3.79Å; I2-Y30 HydrophobicContact CD1-CE1 4.02Å; I2-Y30 HydrophobicContact CG1-CE1 4.12Å; I2-Y30 HydrophobicContact CG2-CE1 3.93Å; I2-Y30 PolarHBondContact O-OH 3.33Å; I2-L33 HydrophobicContact CG1-CD1 4.26Å; I2-I46 HydrophobicContact CD1-CG2 4.37Å; I2-F47 WeakPolarHBondContact CD1-O 3.3Å; I2-F47 PolarHBondContact N-O 2.84Å
3N93.1Very high93.5Very high72 Ų7278.4 Ų78.439%0.38540%0.402SS..  trans-82.8132.6-171.6-158.445.1000111.8M1 P5 H89 E139M1-N3 HydrophobicContact CE-CB 4.01Å; M1-N3 WeakPolarHBondContact CE-OD1 3.48Å; N3-P5 VanDerWaalsContact C-CD 3.43Å; N3-P5 VanDerWaalsContact C-N 3.34Å; N3-P5 VanDerWaalsContact O-N 3.13Å; N3-H89 PolarHBondContact OD1-CE1 3.13Å; N3-H89 PolarHBondContact OD1-NE2 3.09Å; N3-E139 PolarHBondContact ND2-OE1 2.85Å; N3-E139 PolarHBondContact OD1-OE1 3.38Å
4E93.3Very high93.7Very high98 Ų9878.6 Ų78.646%0.45841%0.411SS..SBendtrans39.950.3170.7-54.7-164.7151.300114.9E49 T52 H89E4-E49 PolarHBondContact N-OE2 3.24Å; E4-T52 HydrophobicContact CG-CG2 3.97Å; E4-T52 WeakPolarHBondContact OE1-CG2 3.08Å; E4-H89 IonicContact OE1-CE1 3.36Å; E4-H89 PolarHBondContact OE1-CE1 3.09Å; E4-H89 IonicContact OE1-ND1 3.48Å; E4-H89 PolarHBondContact OE1-ND1 3.28Å; E4-H89 VanDerWaalsContact OE1-ND1 3.14Å
5P93.1Very high93.8Very high14 Ų1482.3 Ų82.39%0.09142%0.423CS..  trans-62.5137.3177.328.7-35.1000109.8I2 N3 L26 F29 Y30I2-P5 HydrophobicContact CG2-CB 4.37Å; I2-P5 HydrophobicContact CG2-CG 4.32Å; N3-P5 VanDerWaalsContact C-CD 3.43Å; N3-P5 VanDerWaalsContact C-N 3.34Å; N3-P5 VanDerWaalsContact O-N 3.13Å; P5-L26 HydrophobicContact CB-CD2 3.97Å; P5-L26 HydrophobicContact CG-CD2 3.72Å; P5-F29 HydrophobicContact CB-CE1 3.97Å; P5-F29 HydrophobicContact CG-CE1 4.46Å; P5-Y30 HydrophobicContact CG-CE2 4.33Å; P5-Y30 WeakPolarHBondContact CG-OH 3.36Å
6P93.2Very high93.9Very high89 Ų8978.1 Ų78.158%0.57840%0.402SS*.  trans-61.2146.1173.227.1-33.9000109.2G8P6-G8 PolarHBondContact O-N 3.23Å
7P93.8Very high94Very high12 Ų1278.2 Ų78.28%0.07840%0.403CS..SBendtrans-69.711.8178.931-36.8000113.5F10 L16 A22 N25 V51P7-F10 HydrophobicContact CG-CD1 4.46Å; P7-L16 WeakPolarHBondContact CB-O 3.44Å; P7-L16 WeakPolarHBondContact CG-O 3.34Å; P7-A22 HydrophobicContact CB-CB 3.74Å; P7-N25 PolarHBondContact O-ND2 3.03Å; P7-V51 HydrophobicContact CB-CG1 3.76Å; P7-V51 HydrophobicContact CG-CG1 3.95Å
8G94.1Very high93.9Very high25 Ų2579 Ų7926%0.25841%0.407SS..SBendtrans115.5-169.2-171.900000111.7P6 F10P6-G8 PolarHBondContact O-N 3.23Å; G8-F10 VanDerWaalsContact C-N 3.33Å; G8-F10 PolarHBondContact O-N 3.04Å
9N94.4Very high93.7Very high86 Ų8676.2 Ų76.246%0.4639%0.394SS..  trans-79.780.9178.9-170.3-15.3000111Y11 L12 N13N9-Y11 PolarHBondContact O-N 3.14Å; N9-Y11 WeakPolarHBondContact OD1-CB 3.39Å; N9-Y11 PolarHBondContact OD1-N 2.97Å; N9-L12 VanDerWaalsContact ND2-CD1 3.3Å; N9-L12 WeakPolarHBondContact ND2-CD1 3.32Å; N9-L12 WeakPolarHBondContact ND2-CG 3.42Å; N9-L12 PolarHBondContact O-N 3.2Å; N9-L12 VanDerWaalsContact O-N 3.13Å; N9-L12 PolarHBondContact OD1-N 2.96Å; N9-N13 PolarHBondContact O-N 3Å; N9-N13 VanDerWaalsContact O-N 3.09Å
10F94Very high93.7Very high64 Ų6475.5 Ų75.528%0.28139%0.391SS..THydrogen-bonded Turntrans-68.5-12.1-179.860.1-96.9000113.9P7 G8 N13 P14 L16 L17P7-F10 HydrophobicContact CG-CD1 4.46Å; G8-F10 VanDerWaalsContact C-N 3.33Å; G8-F10 PolarHBondContact O-N 3.04Å; F10-N13 WeakPolarHBondContact CA-O 3.25Å; F10-N13 CarbonylContact O-C 3.59Å; F10-P14 VanDerWaalsContact O-CA 3.25Å; F10-P14 WeakPolarHBondContact O-CA 3.41Å; F10-P14 VanDerWaalsContact O-N 3.17Å; F10-L16 HydrophobicContact CB-CB 4.22Å; F10-L17 HydrophobicContact CB-CD2 4.04Å; F10-L17 HydrophobicContact CB-CG 4.07Å; F10-L17 HydrophobicContact CD1-CD2 4.4Å; F10-L17 HydrophobicContact CD2-CD2 4.33Å; F10-L17 HydrophobicContact CG-CD2 4.01Å; F10-L17 HydrophobicContact CG-CG 4.45Å
11Y94.9Very high93.8Very high194 Ų19474.7 Ų74.776%0.76139%0.387SS*.THydrogen-bonded Turntrans-70.2-35.8169.9-63.7-78.1000112N9N9-Y11 PolarHBondContact O-N 3.14Å; N9-Y11 WeakPolarHBondContact OD1-CB 3.39Å; N9-Y11 PolarHBondContact OD1-N 2.97Å
12L96.3Very high94.1Very high147 Ų14769.2 Ų69.277%0.7736%0.36SS*.THydrogen-bonded Turntrans-83.3-32.8174.9-67.3-179.4000112.3N9N9-L12 VanDerWaalsContact ND2-CD1 3.3Å; N9-L12 WeakPolarHBondContact ND2-CD1 3.32Å; N9-L12 WeakPolarHBondContact ND2-CG 3.42Å; N9-L12 PolarHBondContact O-N 3.2Å; N9-L12 VanDerWaalsContact O-N 3.13Å; N9-L12 PolarHBondContact OD1-N 2.96Å
13N96Very high94.4Very high64 Ų6467.4 Ų67.434%0.34235%0.351SS..  trans-136.289.9178.9-176.86000111N9 F10 F15 L16N9-N13 PolarHBondContact O-N 3Å; N9-N13 VanDerWaalsContact O-N 3.09Å; F10-N13 WeakPolarHBondContact CA-O 3.25Å; F10-N13 CarbonylContact O-C 3.59Å; N13-F15 PolarHBondContact O-N 3.41Å; N13-F15 VanDerWaalsContact O-N 3.09Å; N13-F15 WeakPolarHBondContact OD1-CB 3.49Å; N13-F15 WeakPolarHBondContact OD1-CD2 3.3Å; N13-F15 PolarHBondContact OD1-N 3.5Å; N13-L16 HydrophobicContact CB-CD1 4.1Å; N13-L16 HydrophobicContact CB-CG 4.17Å; N13-L16 VanDerWaalsContact O-CB 3.32Å; N13-L16 WeakPolarHBondContact O-CB 3.39Å; N13-L16 WeakPolarHBondContact O-CG 3.39Å; N13-L16 PolarHBondContact O-N 3.09Å
14P96.1Very high94.5Very high82 Ų8268.6 Ų68.653%0.53235%0.354SS..G310 helixtrans-63.6-17.3-17824.9-34.5000113.5F10 L16 L17F10-P14 VanDerWaalsContact O-CA 3.25Å; F10-P14 WeakPolarHBondContact O-CA 3.41Å; F10-P14 VanDerWaalsContact O-N 3.17Å; P14-L16 PolarHBondContact O-N 2.99Å; P14-L17 WeakPolarHBondContact O-CB 3.2Å; P14-L17 PolarHBondContact O-N 2.82Å
15F96.1Very high94.6Very high133 Ų13366.7 Ų66.758%0.58335%0.347SS*.G310 helixtrans-64.6-17.9173.8-63.2-69.4000113.1N13 L17 L18 I21N13-F15 PolarHBondContact O-N 3.41Å; N13-F15 VanDerWaalsContact O-N 3.09Å; N13-F15 WeakPolarHBondContact OD1-CB 3.49Å; N13-F15 WeakPolarHBondContact OD1-CD2 3.3Å; N13-F15 PolarHBondContact OD1-N 3.5Å; F15-L17 PolarHBondContact O-N 2.74Å; F15-L17 VanDerWaalsContact O-N 3.14Å; F15-L18 HydrophobicContact CD1-CD1 3.98Å; F15-L18 WeakPolarHBondContact O-CB 3.36Å; F15-L18 PolarHBondContact O-N 3.07Å; F15-I21 HydrophobicContact CB-CD1 3.79Å; F15-I21 WeakPolarHBondContact O-CB 3.33Å
16L95.5Very high94.8Very high16 Ų1666.1 Ų66.18%0.08434%0.343CS..G310 helixtrans-62.7-12.4170.5-69.4173.1000113.1P7 F10 N13 P14 I21 A22 N25P7-L16 WeakPolarHBondContact CB-O 3.44Å; P7-L16 WeakPolarHBondContact CG-O 3.34Å; F10-L16 HydrophobicContact CB-CB 4.22Å; N13-L16 HydrophobicContact CB-CD1 4.1Å; N13-L16 HydrophobicContact CB-CG 4.17Å; N13-L16 VanDerWaalsContact O-CB 3.32Å; N13-L16 WeakPolarHBondContact O-CB 3.39Å; N13-L16 WeakPolarHBondContact O-CG 3.39Å; N13-L16 PolarHBondContact O-N 3.09Å; P14-L16 PolarHBondContact O-N 2.99Å; L16-I21 HydrophobicContact CD2-CG2 3.87Å; L16-A22 WeakPolarHBondContact O-CB 3.47Å; L16-N25 HydrophobicContact CD2-CB 3.97Å
17L94.1Very high95Very high80 Ų8062.3 Ų62.342%0.41932%0.318SS..G310 helixtrans-80.4-17.2171.2-62.3175.1000112.7F10 P14 F15 Y53F10-L17 HydrophobicContact CB-CD2 4.04Å; F10-L17 HydrophobicContact CB-CG 4.07Å; F10-L17 HydrophobicContact CD1-CD2 4.4Å; F10-L17 HydrophobicContact CD2-CD2 4.33Å; F10-L17 HydrophobicContact CG-CD2 4.01Å; F10-L17 HydrophobicContact CG-CG 4.45Å; P14-L17 WeakPolarHBondContact O-CB 3.2Å; P14-L17 PolarHBondContact O-N 2.82Å; F15-L17 PolarHBondContact O-N 2.74Å; F15-L17 VanDerWaalsContact O-N 3.14Å; L17-Y53 WeakPolarHBondContact CA-OH 3.48Å; L17-Y53 WeakPolarHBondContact O-CE2 3.26Å; L17-Y53 PolarHBondContact O-OH 2.87Å
18L93.1Very high95.1Very high92 Ų9267.1 Ų67.148%0.48234%0.342SS..SBendtrans-72.1126.7176-63.5179.8000109.2F15 N20 I21 A22F15-L18 HydrophobicContact CD1-CD1 3.98Å; F15-L18 WeakPolarHBondContact O-CB 3.36Å; F15-L18 PolarHBondContact O-N 3.07Å; L18-N20 VanDerWaalsContact C-N 3.28Å; L18-N20 PolarHBondContact O-N 2.86Å; L18-N20 VanDerWaalsContact O-N 3.09Å; L18-I21 HydrophobicContact CB-CD1 4.38Å; L18-I21 HydrophobicContact CD1-CD1 4.17Å; L18-I21 PolarHBondContact O-N 3.46Å; L18-A22 WeakPolarHBondContact O-CB 3.31Å; L18-A22 PolarHBondContact O-N 3.39Å
19P90.8Very high95.2Very high25 Ų2570 Ų7016%0.16235%0.348CS..Hα-helixtrans-55.9-37.8-168.7-2326.1000114.9I21 A22 G23 Y53 F57 G65 G67P19-I21 PolarHBondContact O-N 3.26Å; P19-A22 PolarHBondContact O-N 2.64Å; P19-G23 PolarHBondContact O-N 3.47Å; P19-Y53 HydrophobicContact CG-CD2 4.43Å; P19-Y53 HydrophobicContact CG-CE2 4.06Å; P19-F57 HydrophobicContact CG-CD2 4.08Å; P19-F57 HydrophobicContact CG-CE2 4.37Å; P19-F57 HydrophobicContact CG-CG 4.31Å; P19-G65 WeakPolarHBondContact CB-O 3.42Å; P19-G67 WeakPolarHBondContact O-CA 3.35Å
20N92.7Very high95.4Very high63 Ų6365.9 Ų65.934%0.33733%0.326SS..Hα-helixtrans-61.7-45.2177-173.829.1000112.7L18 Q24L18-N20 VanDerWaalsContact C-N 3.28Å; L18-N20 PolarHBondContact O-N 2.86Å; L18-N20 VanDerWaalsContact O-N 3.09Å; N20-Q24 VanDerWaalsContact O-CG 3.3Å; N20-Q24 WeakPolarHBondContact O-CG 3.19Å; N20-Q24 PolarHBondContact O-N 3.26Å; N20-Q24 PolarHBondContact OD1-NE2 3.2Å; N20-Q24 VanDerWaalsContact OD1-NE2 3.07Å
21I95.4Very high95.6Very high59 Ų5963.4 Ų63.430%0.30332%0.315SS..Hα-helixtrans-72.8-41.8-179.5-61.4174.6000109.7F15 L16 L18 P19 Q24 N25F15-I21 HydrophobicContact CB-CD1 3.79Å; F15-I21 WeakPolarHBondContact O-CB 3.33Å; L16-I21 HydrophobicContact CD2-CG2 3.87Å; L18-I21 HydrophobicContact CB-CD1 4.38Å; L18-I21 HydrophobicContact CD1-CD1 4.17Å; L18-I21 PolarHBondContact O-N 3.46Å; P19-I21 PolarHBondContact O-N 3.26Å; I21-Q24 PolarHBondContact O-N 3.23Å; I21-N25 WeakPolarHBondContact O-CB 3.37Å; I21-N25 PolarHBondContact O-N 3.25Å
22A96Very high95.7Very high0 Ų061.6 Ų61.60%031%0.309CS..Hα-helixtrans-55-52.2174.700000111.7P7 L16 L18 P19 Q24 N25 L26 V51P7-A22 HydrophobicContact CB-CB 3.74Å; L16-A22 WeakPolarHBondContact O-CB 3.47Å; L18-A22 WeakPolarHBondContact O-CB 3.31Å; L18-A22 PolarHBondContact O-N 3.39Å; P19-A22 PolarHBondContact O-N 2.64Å; A22-Q24 PolarHBondContact O-N 3.47Å; A22-N25 PolarHBondContact O-N 2.92Å; A22-L26 WeakPolarHBondContact O-CB 3.4Å; A22-L26 WeakPolarHBondContact O-CG 3.5Å; A22-L26 PolarHBondContact O-N 3.5Å; A22-V51 HydrophobicContact CB-CG1 3.74Å; A22-V51 HydrophobicContact CB-CG2 4.13Å
23G95.9Very high95.7Very high0 Ų056.6 Ų56.60%028%0.282CS..Hα-helixtrans-63.2-40.8-178.700000112.9P19 L27 T66P19-G23 PolarHBondContact O-N 3.47Å; G23-L27 WeakPolarHBondContact O-CB 3.4Å; G23-L27 WeakPolarHBondContact O-CG 2.91Å; G23-L27 PolarHBondContact O-N 2.89Å; G23-T66 VanDerWaalsContact CA-O 3.31Å; G23-T66 WeakPolarHBondContact CA-O 3.48Å
24Q95.2Very high95.7Very high97 Ų9754 Ų5445%0.45327%0.269SS..Hα-helixtrans-63.1-44.6174.5-72.5176.82700112N20 I21 A22 L27 L28N20-Q24 VanDerWaalsContact O-CG 3.3Å; N20-Q24 WeakPolarHBondContact O-CG 3.19Å; N20-Q24 PolarHBondContact O-N 3.26Å; N20-Q24 PolarHBondContact OD1-NE2 3.2Å; N20-Q24 VanDerWaalsContact OD1-NE2 3.07Å; I21-Q24 PolarHBondContact O-N 3.23Å; A22-Q24 PolarHBondContact O-N 3.47Å; Q24-L27 PolarHBondContact O-N 3.19Å; Q24-L28 PolarHBondContact O-N 2.94Å
25N96.8Very high95.8Very high59 Ų5953.2 Ų53.232%0.31626%0.26SS..Hα-helixtrans-67.6-41.2179.9-164.955000111.9P7 L16 I21 A22 L27 L28 F29P7-N25 PolarHBondContact O-ND2 3.03Å; L16-N25 HydrophobicContact CD2-CB 3.97Å; I21-N25 WeakPolarHBondContact O-CB 3.37Å; I21-N25 PolarHBondContact O-N 3.25Å; A22-N25 PolarHBondContact O-N 2.92Å; N25-L27 VanDerWaalsContact C-N 3.33Å; N25-L27 PolarHBondContact O-N 2.85Å; N25-L28 PolarHBondContact O-N 3.31Å; N25-F29 PolarHBondContact O-N 2.85Å
26L97Very high95.8Very high2 Ų249.8 Ų49.81%0.0125%0.25CC..Hα-helixtrans-62.2-38.7173.6-75.8173.6000111.8P5 A22 L28 F29 Y30 V51 M68P5-L26 HydrophobicContact CB-CD2 3.97Å; P5-L26 HydrophobicContact CG-CD2 3.72Å; A22-L26 WeakPolarHBondContact O-CB 3.4Å; A22-L26 WeakPolarHBondContact O-CG 3.5Å; A22-L26 PolarHBondContact O-N 3.5Å; L26-L28 VanDerWaalsContact C-N 3.31Å; L26-L28 PolarHBondContact O-N 2.95Å; L26-F29 HydrophobicContact CD2-CD1 4.46Å; L26-F29 WeakPolarHBondContact O-CB 3.28Å; L26-F29 PolarHBondContact O-N 3.2Å; L26-Y30 HydrophobicContact CB-CD2 4.26Å; L26-Y30 HydrophobicContact CB-CE2 4.29Å; L26-Y30 WeakPolarHBondContact O-CB 3.48Å; L26-Y30 WeakPolarHBondContact O-CD2 3.37Å; L26-Y30 PolarHBondContact O-N 3.02Å; L26-V51 HydrophobicContact CD1-CG1 4.29Å; L26-M68 HydrophobicContact CB-CE 3.38Å; L26-M68 HydrophobicContact CD1-CE 3.98Å; L26-M68 HydrophobicContact CG-CE 4.33Å
27L96.8Very high95.9Very high9 Ų951.5 Ų51.55%0.04726%0.258CS..Hα-helixtrans-61.1-38.3175.8-80.3174000112.8G23 Q24 N25 Y30 D31 M68 R70 P72G23-L27 WeakPolarHBondContact O-CB 3.4Å; G23-L27 WeakPolarHBondContact O-CG 2.91Å; G23-L27 PolarHBondContact O-N 2.89Å; Q24-L27 PolarHBondContact O-N 3.19Å; N25-L27 VanDerWaalsContact C-N 3.33Å; N25-L27 PolarHBondContact O-N 2.85Å; L27-Y30 PolarHBondContact O-N 3.32Å; L27-D31 WeakPolarHBondContact O-CB 3.48Å; L27-D31 PolarHBondContact O-N 3.38Å; L27-M68 HydrophobicContact CD1-CB 4.11Å; L27-M68 HydrophobicContact CD1-CG 4.28Å; L27-M68 HydrophobicContact CD2-CB 4.45Å; L27-M68 HydrophobicContact CD2-CG 4.34Å; L27-M68 HydrophobicContact CD2-SD 4.32Å; L27-M68 HydrophobicContact CG-CB 4.27Å; L27-M68 HydrophobicContact CG-CG 3.98Å; L27-M68 HydrophobicContact CG-SD 4.46Å; L27-R70 HydrophobicContact CD1-CG 4.01Å; L27-R70 HydrophobicContact CD2-CG 4.37Å; L27-R70 WeakPolarHBondContact CD2-O 3.36Å; L27-P72 HydrophobicContact CD2-CG 4.41Å
28L96Very high96Very high113 Ų11349.6 Ų49.659%0.59225%0.246SC*.Hα-helixtrans-63.8-44.2175.3-66.2174.1000111.5Q24 N25 L26 Y32Q24-L28 PolarHBondContact O-N 2.94Å; N25-L28 PolarHBondContact O-N 3.31Å; L26-L28 VanDerWaalsContact C-N 3.31Å; L26-L28 PolarHBondContact O-N 2.95Å; L28-Y32 PolarHBondContact O-N 3.41Å
29F96.7Very high96.2Very high84 Ų8452.8 Ų52.837%0.36826%0.258SS..Hα-helixtrans-59.5-47.6174.2163.2-108.5000111.7I2 P5 N25 L26 Y32 L33I2-F29 HydrophobicContact CG2-CE1 4.05Å; I2-F29 HydrophobicContact CG2-CZ 4.37Å; P5-F29 HydrophobicContact CB-CE1 3.97Å; P5-F29 HydrophobicContact CG-CE1 4.46Å; N25-F29 PolarHBondContact O-N 2.85Å; L26-F29 HydrophobicContact CD2-CD1 4.46Å; L26-F29 WeakPolarHBondContact O-CB 3.28Å; L26-F29 PolarHBondContact O-N 3.2Å; F29-Y32 PolarHBondContact O-N 3.03Å; F29-L33 HydrophobicContact CD1-CD1 4.29Å; F29-L33 HydrophobicContact CD2-CD1 4.31Å; F29-L33 HydrophobicContact CD2-CG 4.29Å; F29-L33 HydrophobicContact CE1-CD1 3.59Å; F29-L33 HydrophobicContact CE1-CG 4.49Å; F29-L33 HydrophobicContact CE2-CD1 3.6Å; F29-L33 HydrophobicContact CE2-CD2 4.32Å; F29-L33 HydrophobicContact CE2-CG 3.89Å; F29-L33 HydrophobicContact CZ-CD1 3.21Å; F29-L33 HydrophobicContact CZ-CG 4.03Å; F29-L33 PolarHBondContact O-N 2.77Å
30Y97.7Very high96.5Very high0 Ų058 Ų580%029%0.29CS..Hα-helixtrans-67.7-38.7-179.9-81.3-64000113I2 P5 L26 L27 Y32 L33 V34 E49 M68 P72I2-Y30 HydrophobicContact CB-CE1 3.79Å; I2-Y30 HydrophobicContact CD1-CE1 4.02Å; I2-Y30 HydrophobicContact CG1-CE1 4.12Å; I2-Y30 HydrophobicContact CG2-CE1 3.93Å; I2-Y30 PolarHBondContact O-OH 3.33Å; P5-Y30 HydrophobicContact CG-CE2 4.33Å; P5-Y30 WeakPolarHBondContact CG-OH 3.36Å; L26-Y30 HydrophobicContact CB-CD2 4.26Å; L26-Y30 HydrophobicContact CB-CE2 4.29Å; L26-Y30 WeakPolarHBondContact O-CB 3.48Å; L26-Y30 WeakPolarHBondContact O-CD2 3.37Å; L26-Y30 PolarHBondContact O-N 3.02Å; L27-Y30 PolarHBondContact O-N 3.32Å; Y30-Y32 VanDerWaalsContact C-N 3.29Å; Y30-Y32 PolarHBondContact O-N 2.82Å; Y30-L33 PolarHBondContact O-N 3.01Å; Y30-V34 WeakPolarHBondContact O-CB 3.11Å; Y30-V34 VanDerWaalsContact O-CG2 3.27Å; Y30-V34 WeakPolarHBondContact O-CG2 3.42Å; Y30-V34 PolarHBondContact O-N 2.77Å; Y30-E49 VanDerWaalsContact CE2-O 3.28Å; Y30-E49 WeakPolarHBondContact CE2-O 3.46Å; Y30-E49 PolarHBondContact OH-N 3.01Å; Y30-E49 PolarHBondContact OH-O 3.22Å; Y30-M68 HydrophobicContact CD2-CE 4Å; Y30-M68 HydrophobicContact CE2-CE 3.94Å; Y30-P72 HydrophobicContact CD1-CG 4.37Å; Y30-P72 HydrophobicContact CD2-CG 4.37Å; Y30-P72 HydrophobicContact CG-CB 4.48Å; Y30-P72 HydrophobicContact CG-CG 3.88Å
31D97.7Very high96.7Very high12 Ų1258.3 Ų58.36%0.06429%0.291CS..Hα-helixtrans-60.2-42.4175.9-73.1-18.3000111.3L27 N35 R70 G73L27-D31 WeakPolarHBondContact O-CB 3.48Å; L27-D31 PolarHBondContact O-N 3.38Å; D31-N35 WeakPolarHBondContact O-CB 3.44Å; D31-N35 PolarHBondContact O-N 3.41Å; D31-N35 PolarHBondContact O-ND2 3.39Å; D31-N35 VanDerWaalsContact O-ND2 3.08Å; D31-R70 VanDerWaalsContact CG-NH1 3.29Å; D31-R70 IonicContact OD1-CZ 3.66Å; D31-R70 IonicContact OD1-NH1 3.9Å; D31-R70 PolarHBondContact OD1-NH1 3.21Å; D31-R70 IonicContact OD1-NH2 3.7Å; D31-R70 IonicContact OD2-CZ 3.14Å; D31-R70 VanDerWaalsContact OD2-CZ 3.23Å; D31-R70 IonicContact OD2-NH1 3.85Å; D31-R70 PolarHBondContact OD2-NH1 3.08Å; D31-R70 IonicContact OD2-NH2 3.75Å; D31-R70 PolarHBondContact OD2-NH2 3.2Å; D31-G73 PolarHBondContact OD1-N 3.06Å
32Y96.9Very high96.7Very high157 Ų15762.5 Ų62.562%0.61631%0.307SS*.Hα-helixtrans-60-51.8173.3173.9-95.6000111.1L28 F29 Y30 V34 N35 V36L28-Y32 PolarHBondContact O-N 3.41Å; F29-Y32 PolarHBondContact O-N 3.03Å; Y30-Y32 VanDerWaalsContact C-N 3.29Å; Y30-Y32 PolarHBondContact O-N 2.82Å; Y32-V34 PolarHBondContact O-N 2.84Å; Y32-N35 WeakPolarHBondContact O-CB 3.26Å; Y32-N35 PolarHBondContact O-N 3.38Å; Y32-V36 HydrophobicContact CD1-CG2 4.43Å; Y32-V36 HydrophobicContact CE1-CG2 3.94Å; Y32-V36 HydrophobicContact CE2-CG2 4.23Å; Y32-V36 WeakPolarHBondContact O-CG2 3.39Å; Y32-V36 PolarHBondContact O-N 3.03Å
33L96.6Very high96.6Very high42 Ų4267.9 Ų67.922%0.2234%0.336CS..Hα-helixtrans-60.3-43179.7-74.5-171.7000112.9I2 F29 Y30 N35 V36 I37I2-L33 HydrophobicContact CG1-CD1 4.26Å; F29-L33 HydrophobicContact CD1-CD1 4.29Å; F29-L33 HydrophobicContact CD2-CD1 4.31Å; F29-L33 HydrophobicContact CD2-CG 4.29Å; F29-L33 HydrophobicContact CE1-CD1 3.59Å; F29-L33 HydrophobicContact CE1-CG 4.49Å; F29-L33 HydrophobicContact CE2-CD1 3.6Å; F29-L33 HydrophobicContact CE2-CD2 4.32Å; F29-L33 HydrophobicContact CE2-CG 3.89Å; F29-L33 HydrophobicContact CZ-CD1 3.21Å; F29-L33 HydrophobicContact CZ-CG 4.03Å; F29-L33 PolarHBondContact O-N 2.77Å; Y30-L33 PolarHBondContact O-N 3.01Å; L33-N35 VanDerWaalsContact C-N 3.31Å; L33-N35 PolarHBondContact O-N 2.65Å; L33-V36 PolarHBondContact O-N 3.36Å; L33-I37 WeakPolarHBondContact O-CB 3.27Å; L33-I37 VanDerWaalsContact O-CG1 3.29Å; L33-I37 WeakPolarHBondContact O-CG1 3.4Å; L33-I37 PolarHBondContact O-N 3.21Å
34V97.3Very high96.6Very high10 Ų1070.6 Ų70.66%0.06135%0.353CS..Hα-helixtrans-60.3-44.8177.2169.70000109.9Y30 Y32 V36 I37 R38 I46 P72Y30-V34 WeakPolarHBondContact O-CB 3.11Å; Y30-V34 VanDerWaalsContact O-CG2 3.27Å; Y30-V34 WeakPolarHBondContact O-CG2 3.42Å; Y30-V34 PolarHBondContact O-N 2.77Å; Y32-V34 PolarHBondContact O-N 2.84Å; V34-V36 VanDerWaalsContact C-N 3.31Å; V34-V36 PolarHBondContact O-N 3.34Å; V34-I37 PolarHBondContact O-N 3.39Å; V34-R38 HydrophobicContact CG1-CG 3.9Å; V34-R38 VanDerWaalsContact O-CB 3.26Å; V34-R38 WeakPolarHBondContact O-CB 3.26Å; V34-R38 WeakPolarHBondContact O-CG 3.37Å; V34-R38 PolarHBondContact O-N 2.87Å; V34-I46 HydrophobicContact CG2-CG1 4.1Å; V34-I46 HydrophobicContact CG2-CG2 3.98Å; V34-P72 HydrophobicContact CG2-CB 3.67Å
35N96.5Very high96.7Very high65 Ų6570.1 Ų70.135%0.34835%0.353SS..Hα-helixtrans-59.3-42176.6-71.8-30.9000112.1D31 Y32 L33 Q39D31-N35 WeakPolarHBondContact O-CB 3.44Å; D31-N35 PolarHBondContact O-N 3.41Å; D31-N35 PolarHBondContact O-ND2 3.39Å; D31-N35 VanDerWaalsContact O-ND2 3.08Å; Y32-N35 WeakPolarHBondContact O-CB 3.26Å; Y32-N35 PolarHBondContact O-N 3.38Å; L33-N35 VanDerWaalsContact C-N 3.31Å; L33-N35 PolarHBondContact O-N 2.65Å; N35-Q39 WeakPolarHBondContact O-CG 3.37Å; N35-Q39 PolarHBondContact O-N 3.23Å
36V97.1Very high96.8Very high60 Ų6067.6 Ų67.636%0.36434%0.339SS..Hα-helixtrans-66.4-48.3176.5178.50000111.5Y32 L33 V34 R38 Q39Y32-V36 HydrophobicContact CD1-CG2 4.43Å; Y32-V36 HydrophobicContact CE1-CG2 3.94Å; Y32-V36 HydrophobicContact CE2-CG2 4.23Å; Y32-V36 WeakPolarHBondContact O-CG2 3.39Å; Y32-V36 PolarHBondContact O-N 3.03Å; L33-V36 PolarHBondContact O-N 3.36Å; V34-V36 VanDerWaalsContact C-N 3.31Å; V34-V36 PolarHBondContact O-N 3.34Å; V36-R38 VanDerWaalsContact C-N 3.29Å; V36-R38 PolarHBondContact O-N 3.47Å; V36-Q39 WeakPolarHBondContact O-CB 3.34Å; V36-Q39 PolarHBondContact O-N 3.18Å
37I96.9Very high96.8Very high52 Ų5269.3 Ų69.327%0.26735%0.347SS..Hα-helixtrans-59.5-43.6-180-69.1165.4000110L33 V34 Q39 T40 D41 T44 I46L33-I37 WeakPolarHBondContact O-CB 3.27Å; L33-I37 VanDerWaalsContact O-CG1 3.29Å; L33-I37 WeakPolarHBondContact O-CG1 3.4Å; L33-I37 PolarHBondContact O-N 3.21Å; V34-I37 PolarHBondContact O-N 3.39Å; I37-Q39 PolarHBondContact O-N 3.27Å; I37-T40 PolarHBondContact O-N 3.17Å; I37-D41 PolarHBondContact O-N 3.27Å; I37-T44 HydrophobicContact CG2-CG2 3.8Å; I37-I46 HydrophobicContact CB-CD1 4.49Å; I37-I46 HydrophobicContact CD1-CD1 3.87Å; I37-I46 HydrophobicContact CG2-CD1 4Å
38R96.4Very high96.9Very high41 Ų4169 Ų6916%0.15535%0.345CS..Hα-helixtrans-68.4-15.3-177.8-66.8-69.5175-116.21.9114.5V34 V36 D41 T44V34-R38 HydrophobicContact CG1-CG 3.9Å; V34-R38 VanDerWaalsContact O-CB 3.26Å; V34-R38 WeakPolarHBondContact O-CB 3.26Å; V34-R38 WeakPolarHBondContact O-CG 3.37Å; V34-R38 PolarHBondContact O-N 2.87Å; V36-R38 VanDerWaalsContact C-N 3.29Å; V36-R38 PolarHBondContact O-N 3.47Å; R38-D41 WeakPolarHBondContact CA-O 3.4Å; R38-D41 WeakPolarHBondContact CD-O 3.42Å; R38-D41 PolarHBondContact NH1-O 2.85Å; R38-T44 VanDerWaalsContact CZ-O 3.27Å; R38-T44 VanDerWaalsContact NH1-CG2 3.31Å; R38-T44 PolarHBondContact NH1-O 3.08Å; R38-T44 PolarHBondContact NH2-O 3.22Å
39Q96.8Very high96.9Very high159 Ų15963.7 Ų63.774%0.74332%0.317SS*.Hα-helixtrans-67.8-27.7168.4-69.7171.9600112N35 V36 I37N35-Q39 WeakPolarHBondContact O-CG 3.37Å; N35-Q39 PolarHBondContact O-N 3.23Å; V36-Q39 WeakPolarHBondContact O-CB 3.34Å; V36-Q39 PolarHBondContact O-N 3.18Å; I37-Q39 PolarHBondContact O-N 3.27Å
40T97.7Very high96.8Very high134 Ų13459.8 Ų59.882%0.82230%0.3SS*.Hα-helixtrans-106.5-43.6-177.7-53.80000112.2I37I37-T40 PolarHBondContact O-N 3.17Å
41D97.1Very high96.6Very high69 Ų6960.2 Ų60.237%0.36930%0.303SS..  trans-133.4108-176.8-173.9-26.2000110.6I37 R38 D43 T44I37-D41 PolarHBondContact O-N 3.27Å; R38-D41 WeakPolarHBondContact CA-O 3.4Å; R38-D41 WeakPolarHBondContact CD-O 3.42Å; R38-D41 PolarHBondContact NH1-O 2.85Å; D41-D43 VanDerWaalsContact C-N 3.33Å; D41-D43 PolarHBondContact O-N 3.2Å; D41-D43 PolarHBondContact OD1-N 3.2Å; D41-T44 HydrophobicContact CB-CG2 4.02Å; D41-T44 PolarHBondContact OD1-N 3.39Å; D41-T44 VanDerWaalsContact OD2-CB 3.3Å; D41-T44 WeakPolarHBondContact OD2-CB 3.38Å
42K95.1Very high96.3Very high147 Ų14762.2 Ų62.264%0.63932%0.316SS*.SBendtrans-77.8-16.9-176.1-65.8-176.2180179.10113.4K83K42-K83 PolarHBondContact O-NZ 3.44Å
43D95.2Very high96.1Very high113 Ų11358.3 Ų58.360%0.60430%0.3SS*.SBendtrans-121.2-19.7-162.1-65.3-47.5000114.2D41 K83D41-D43 VanDerWaalsContact C-N 3.33Å; D41-D43 PolarHBondContact O-N 3.2Å; D41-D43 PolarHBondContact OD1-N 3.2Å; D43-K83 IonicContact OD1-NZ 3.01Å; D43-K83 PolarHBondContact OD1-NZ 3.41Å
44T96.2Very high96Very high58 Ų5856.3 Ų56.336%0.35629%0.29SS..  trans-56.1142.9179.4-170.60000113.2I37 R38 D41 I46I37-T44 HydrophobicContact CG2-CG2 3.8Å; R38-T44 VanDerWaalsContact CZ-O 3.27Å; R38-T44 VanDerWaalsContact NH1-CG2 3.31Å; R38-T44 PolarHBondContact NH1-O 3.08Å; R38-T44 PolarHBondContact NH2-O 3.22Å; D41-T44 HydrophobicContact CB-CG2 4.02Å; D41-T44 PolarHBondContact OD1-N 3.39Å; D41-T44 VanDerWaalsContact OD2-CB 3.3Å; D41-T44 WeakPolarHBondContact OD2-CB 3.38Å; T44-I46 HydrophobicContact CG2-CD1 4.32Å
45L97.2Very high95.9Very high86 Ų8655.9 Ų55.945%0.4529%0.287SS..  trans-71.9132.5175.4-63-179.4000110.6F47 V85L45-F47 HydrophobicContact CB-CD2 4.21Å; L45-F47 HydrophobicContact CB-CE2 3.87Å; L45-F47 HydrophobicContact CD1-CE2 4.31Å; L45-V85 HydrophobicContact CB-CG2 4.39Å; L45-V85 HydrophobicContact CD1-CG2 4.33Å
46I97.7Very high95.8Very high6 Ų654.9 Ų54.93%0.03128%0.279CS..EExtended strand (participates in β ladder)trans-97.1106.3175.8-54.3-63.5000108.6I2 V34 I37 T44 Y48 K83 S84 V85I2-I46 HydrophobicContact CD1-CG2 4.37Å; V34-I46 HydrophobicContact CG2-CG1 4.1Å; V34-I46 HydrophobicContact CG2-CG2 3.98Å; I37-I46 HydrophobicContact CB-CD1 4.49Å; I37-I46 HydrophobicContact CD1-CD1 3.87Å; I37-I46 HydrophobicContact CG2-CD1 4Å; T44-I46 HydrophobicContact CG2-CD1 4.32Å; I46-Y48 PolarHBondContact O-N 3.36Å; I46-K83 PolarHBondContact N-O 3.32Å; I46-S84 WeakPolarHBondContact O-CA 3.2Å; I46-V85 PolarHBondContact O-N 2.8Å
47F97.9Very high95.6Very high39 Ų3956.6 Ų56.617%0.17128%0.282CS..EExtended strand (participates in β ladder)trans-83.4106.5169.6-74.8-117.6000107.8M1 I2 L45 V85 F136 T138M1-F47 HydrophobicContact CB-CB 3.96Å; M1-F47 HydrophobicContact CG-CB 4.1Å; I2-F47 WeakPolarHBondContact CD1-O 3.3Å; I2-F47 PolarHBondContact N-O 2.84Å; L45-F47 HydrophobicContact CB-CD2 4.21Å; L45-F47 HydrophobicContact CB-CE2 3.87Å; L45-F47 HydrophobicContact CD1-CE2 4.31Å; F47-V85 WeakPolarHBondContact CA-O 3.31Å; F47-V85 HydrophobicContact CD1-CB 4.24Å; F47-V85 HydrophobicContact CD1-CG1 4.02Å; F47-V85 HydrophobicContact CD2-CB 4.22Å; F47-V85 HydrophobicContact CD2-CG2 4.43Å; F47-V85 HydrophobicContact CE1-CB 4.34Å; F47-V85 HydrophobicContact CE1-CG1 3.87Å; F47-V85 HydrophobicContact CE2-CB 4.3Å; F47-V85 HydrophobicContact CE2-CG2 4.17Å; F47-V85 HydrophobicContact CG-CB 4.17Å; F47-V85 HydrophobicContact CG-CG1 4.46Å; F47-V85 HydrophobicContact CZ-CB 4.37Å; F47-V85 HydrophobicContact CZ-CG1 4.18Å; F47-V85 HydrophobicContact CZ-CG2 4.37Å; F47-F136 HydrophobicContact CD1-CB 4.26Å; F47-F136 HydrophobicContact CD1-CG 4.46Å; F47-F136 HydrophobicContact CE1-CB 3.71Å; F47-F136 HydrophobicContact CE1-CD1 4.01Å; F47-F136 AromaticContact CE1-CD2 3.77Å; F47-F136 HydrophobicContact CE1-CD2 3.77Å; F47-F136 HydrophobicContact CE1-CE2 4.37Å; F47-F136 AromaticContact CE1-CG 3.57Å; F47-F136 HydrophobicContact CE1-CG 3.57Å; F47-F136 HydrophobicContact CZ-CD2 4.12Å; F47-F136 HydrophobicContact CZ-CG 4.37Å; F47-T138 HydrophobicContact CD1-CG2 4.24Å
48Y97.7Very high95.5Very high2 Ų257.5 Ų57.51%0.00829%0.291CS..EExtended strand (participates in β ladder)trans-111.8152179.873.2-84.5000109.8I46 M68 V71 P72 V85 L86 S87I46-Y48 PolarHBondContact O-N 3.36Å; Y48-M68 HydrophobicContact CD2-SD 3.73Å; Y48-M68 HydrophobicContact CE2-SD 3.75Å; Y48-V71 HydrophobicContact CE1-CB 4.43Å; Y48-V71 HydrophobicContact CE1-CG1 4.15Å; Y48-P72 HydrophobicContact CD1-CG 4.04Å; Y48-P72 HydrophobicContact CD2-CG 4.06Å; Y48-P72 HydrophobicContact CG-CG 3.67Å; Y48-V85 WeakPolarHBondContact CD1-O 3.41Å; Y48-V85 VanDerWaalsContact CE1-C 3.46Å; Y48-V85 WeakPolarHBondContact CE1-O 3.44Å; Y48-V85 PolarHBondContact N-O 3.25Å; Y48-L86 HydrophobicContact CD2-CD1 4.27Å; Y48-L86 HydrophobicContact CE1-CB 4.31Å; Y48-L86 HydrophobicContact CE2-CB 4.44Å; Y48-L86 HydrophobicContact CE2-CD1 3.72Å; Y48-S87 VanDerWaalsContact O-CB 3.27Å; Y48-S87 WeakPolarHBondContact O-CB 3.35Å; Y48-S87 PolarHBondContact O-N 3.38Å
49E96.4Very high95.4Very high1 Ų158.8 Ų58.81%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-132.5145-173.4-155.1-170.8135.600109.6E4 Y30 T52 M68 S87 H89E4-E49 PolarHBondContact N-OE2 3.24Å; Y30-E49 VanDerWaalsContact CE2-O 3.28Å; Y30-E49 WeakPolarHBondContact CE2-O 3.46Å; Y30-E49 PolarHBondContact OH-N 3.01Å; Y30-E49 PolarHBondContact OH-O 3.22Å; E49-T52 WeakPolarHBondContact OE1-CG2 3.26Å; E49-M68 VanDerWaalsContact O-CE 3.26Å; E49-M68 WeakPolarHBondContact O-CE 3.46Å; E49-S87 WeakPolarHBondContact CG-O 3.48Å; E49-H89 IonicContact OE1-CE1 3.7Å; E49-H89 IonicContact OE1-ND1 2.7Å; E49-H89 IonicContact OE2-CE1 3.99Å; E49-H89 IonicContact OE2-NE2 3.42Å
50S94.2Very high95.1Very high2 Ų255.5 Ų55.51%0.01429%0.288CS..  trans-82.5-176.9164.365.30000110.4T52 T66S50-T52 PolarHBondContact O-N 3.06Å; S50-T66 WeakPolarHBondContact OG-CG2 3.29Å
51V93.8Very high94.8Very high9 Ų956.7 Ų56.76%0.05529%0.29CS..  trans-54.3135.1157.1-710000109.4P7 A22 L26 Y53 G54P7-V51 HydrophobicContact CB-CG1 3.76Å; P7-V51 HydrophobicContact CG-CG1 3.95Å; A22-V51 HydrophobicContact CB-CG1 3.74Å; A22-V51 HydrophobicContact CB-CG2 4.13Å; L26-V51 HydrophobicContact CD1-CG1 4.29Å; V51-Y53 HydrophobicContact CB-CD1 4.25Å; V51-Y53 HydrophobicContact CB-CD2 4.49Å; V51-Y53 HydrophobicContact CB-CE1 3.76Å; V51-Y53 HydrophobicContact CB-CE2 4.07Å; V51-Y53 HydrophobicContact CG1-CE1 4.28Å; V51-Y53 HydrophobicContact CG2-CD2 3.98Å; V51-Y53 HydrophobicContact CG2-CE1 4.19Å; V51-Y53 HydrophobicContact CG2-CE2 3.54Å; V51-Y53 PolarHBondContact O-N 3.2Å; V51-G54 PolarHBondContact O-N 2.8Å
52T91.8Very high94.5Very high54 Ų5456.1 Ų56.133%0.33130%0.3SS..G310 helixtrans-55.2-38.3-17250.40000112.8E4 E49 S50 G54 I55E4-T52 HydrophobicContact CG-CG2 3.97Å; E4-T52 WeakPolarHBondContact OE1-CG2 3.08Å; E49-T52 WeakPolarHBondContact OE1-CG2 3.26Å; S50-T52 PolarHBondContact O-N 3.06Å; T52-G54 VanDerWaalsContact C-N 3.29Å; T52-G54 PolarHBondContact O-N 3.4Å; T52-I55 WeakPolarHBondContact O-CG1 3.48Å
53Y92.2Very high94.4Very high75 Ų7551.2 Ų51.229%0.29428%0.28SS..G310 helixtrans-73.5-17.4178.253.8-96.5000114.1L17 P19 V51 I55 Y56 F57L17-Y53 WeakPolarHBondContact CA-OH 3.48Å; L17-Y53 WeakPolarHBondContact O-CE2 3.26Å; L17-Y53 PolarHBondContact O-OH 2.87Å; P19-Y53 HydrophobicContact CG-CD2 4.43Å; P19-Y53 HydrophobicContact CG-CE2 4.06Å; V51-Y53 HydrophobicContact CB-CD1 4.25Å; V51-Y53 HydrophobicContact CB-CD2 4.49Å; V51-Y53 HydrophobicContact CB-CE1 3.76Å; V51-Y53 HydrophobicContact CB-CE2 4.07Å; V51-Y53 HydrophobicContact CG1-CE1 4.28Å; V51-Y53 HydrophobicContact CG2-CD2 3.98Å; V51-Y53 HydrophobicContact CG2-CE1 4.19Å; V51-Y53 HydrophobicContact CG2-CE2 3.54Å; V51-Y53 PolarHBondContact O-N 3.2Å; Y53-I55 PolarHBondContact O-N 2.78Å; Y53-Y56 PolarHBondContact O-N 3.46Å; Y53-Y56 VanDerWaalsContact O-N 3.08Å; Y53-F57 HydrophobicContact CD2-CD2 4.29Å; Y53-F57 AromaticContact CD2-CE2 3.79Å; Y53-F57 HydrophobicContact CD2-CE2 3.79Å; Y53-F57 VanDerWaalsContact O-CD2 3.26Å; Y53-F57 WeakPolarHBondContact O-CD2 3.49Å
54G94.1Very high94.4Very high0 Ų046.1 Ų46.10%025%0.253CS..G310 helixtrans-61.6-29.3-174.200000113.8V51 T52 Y56 F57 G65V51-G54 PolarHBondContact O-N 2.8Å; T52-G54 VanDerWaalsContact C-N 3.29Å; T52-G54 PolarHBondContact O-N 3.4Å; G54-Y56 PolarHBondContact O-N 3.39Å; G54-F57 PolarHBondContact O-N 2.97Å; G54-G65 CarbonylContact O-C 3.51Å
55I95.1Very high94.3Very high1 Ų143.6 Ų43.61%0.00524%0.239CC..G310 helixtrans-67.6-18.6177.669.1177.4000113.5T52 Y53 T66 Y88 H89 T120 N123 V124T52-I55 WeakPolarHBondContact O-CG1 3.48Å; Y53-I55 PolarHBondContact O-N 2.78Å; I55-T66 HydrophobicContact CG2-CG2 4.36Å; I55-Y88 HydrophobicContact CD1-CD2 4.05Å; I55-H89 WeakPolarHBondContact CD1-O 3.42Å; I55-T120 HydrophobicContact CD1-CG2 3.81Å; I55-T120 HydrophobicContact CG1-CG2 4.34Å; I55-N123 PolarHBondContact O-ND2 2.93Å; I55-V124 HydrophobicContact CB-CG2 4.31Å; I55-V124 HydrophobicContact CG2-CG2 4.4Å
56Y94.6Very high94.3Very high44 Ų4439.6 Ų39.617%0.17322%0.218CC..G310 helixtrans-90.7-7179-59.1-74.7000112.4Y53 G54 Y90 Y91 W93 L116 Y119 T120Y53-Y56 PolarHBondContact O-N 3.46Å; Y53-Y56 VanDerWaalsContact O-N 3.08Å; G54-Y56 PolarHBondContact O-N 3.39Å; Y56-Y90 HydrophobicContact CE1-CD2 4.39Å; Y56-Y91 PolarHBondContact OH-N 2.93Å; Y56-Y91 PolarHBondContact OH-O 2.86Å; Y56-W93 HydrophobicContact CD1-CZ3 4.2Å; Y56-W93 HydrophobicContact CE1-CZ3 4.31Å; Y56-W93 HydrophobicContact CG-CZ3 4.3Å; Y56-L116 HydrophobicContact CD1-CD1 3.67Å; Y56-L116 HydrophobicContact CE1-CD1 3.79Å; Y56-L116 HydrophobicContact CE1-CG 4.17Å; Y56-Y119 VanDerWaalsContact O-CE1 3.31Å; Y56-Y119 WeakPolarHBondContact O-CE1 3.21Å; Y56-Y119 PolarHBondContact O-OH 2.89Å; Y56-T120 HydrophobicContact CE1-CG2 4.28Å; Y56-T120 VanDerWaalsContact CE1-OG1 3.28Å; Y56-T120 WeakPolarHBondContact CE1-OG1 3.33Å
57F94.3Very high94.2Very high97 Ų9739.3 Ų39.343%0.42522%0.217SC..SBendtrans-91.8141.3177.4-74.5-87.1000111.5P19 Y53 G54 G65 N123P19-F57 HydrophobicContact CG-CD2 4.08Å; P19-F57 HydrophobicContact CG-CE2 4.37Å; P19-F57 HydrophobicContact CG-CG 4.31Å; Y53-F57 HydrophobicContact CD2-CD2 4.29Å; Y53-F57 AromaticContact CD2-CE2 3.79Å; Y53-F57 HydrophobicContact CD2-CE2 3.79Å; Y53-F57 VanDerWaalsContact O-CD2 3.26Å; Y53-F57 WeakPolarHBondContact O-CD2 3.49Å; G54-F57 PolarHBondContact O-N 2.97Å; F57-G65 WeakPolarHBondContact O-CA 3.47Å; F57-N123 PolarHBondContact O-ND2 3.16Å
58P93.6Very high94.1Very high70 Ų7037.5 Ų37.546%0.45521%0.209SC..PPolyproline II helixtrans-73169.7177.732.6-36.5000111.3Y119P58-Y119 WeakPolarHBondContact CA-OH 3.36Å
59F94.1Very high94Very high69 Ų6942.3 Ų42.330%0.30323%0.231SC..PPolyproline II helixtrans-66136.7166.5-76.9-117.7000110.6I63 P64 I127F59-I63 CarbonylContact C-O 3.32Å; F59-I63 WeakPolarHBondContact CA-O 3.27Å; F59-P64 HydrophobicContact CD1-CB 4.3Å; F59-P64 HydrophobicContact CD1-CG 4.2Å; F59-P64 HydrophobicContact CE1-CB 3.84Å; F59-P64 HydrophobicContact CE1-CG 3.53Å; F59-P64 HydrophobicContact CE2-CB 4.16Å; F59-P64 HydrophobicContact CZ-CB 3.75Å; F59-P64 HydrophobicContact CZ-CG 3.81Å; F59-I127 HydrophobicContact CE2-CG1 3.97Å; F59-I127 HydrophobicContact CZ-CG1 4.21Å
60V91.7Very high94Very high90 Ų9044.2 Ų44.255%0.54524%0.238SC..BIsolated β-bridgetrans-126.1121.7173.9179.90000108.2G62 I63V60-G62 PolarHBondContact O-N 3.47Å; V60-I63 PolarHBondContact N-O 3.16Å; V60-I63 WeakPolarHBondContact O-CB 3.41Å; V60-I63 PolarHBondContact O-N 3.14Å
61N91.1Very high94.2Very high159 Ų15944.1 Ų44.185%0.8524%0.238SC*.THydrogen-bonded Turntrans51.938.5-177.1-58.8-30.3000113.4I63N61-I63 PolarHBondContact O-N 2.76Å
62G90.5Very high94.4Very high57 Ų5743.7 Ų43.759%0.58824%0.235SC*.THydrogen-bonded Turntrans77.9-2.1-178.300000115.1V60V60-G62 PolarHBondContact O-N 3.47Å
63I93.5Very high94.6Very high44 Ų4441.2 Ų41.223%0.22622%0.221CC..BIsolated β-bridgetrans-89.1126.7176.8-56.3173.7000108.5F59 V60 N61 Q69F59-I63 CarbonylContact C-O 3.32Å; F59-I63 WeakPolarHBondContact CA-O 3.27Å; V60-I63 PolarHBondContact N-O 3.16Å; V60-I63 WeakPolarHBondContact O-CB 3.41Å; V60-I63 PolarHBondContact O-N 3.14Å; N61-I63 PolarHBondContact O-N 2.76Å; I63-Q69 HydrophobicContact CG2-CG 4.14Å
64P95.3Very high94.9Very high5 Ų539.2 Ų39.23%0.03222%0.215CC..  trans-60.3151.8176.6-19.530.1000112.4F59 T66 G67 M68 I127F59-P64 HydrophobicContact CD1-CB 4.3Å; F59-P64 HydrophobicContact CD1-CG 4.2Å; F59-P64 HydrophobicContact CE1-CB 3.84Å; F59-P64 HydrophobicContact CE1-CG 3.53Å; F59-P64 HydrophobicContact CE2-CB 4.16Å; F59-P64 HydrophobicContact CZ-CB 3.75Å; F59-P64 HydrophobicContact CZ-CG 3.81Å; P64-T66 PolarHBondContact O-N 3.39Å; P64-G67 PolarHBondContact O-N 3Å; P64-M68 WeakPolarHBondContact CG-O 3.14Å; P64-I127 HydrophobicContact CB-CG1 4Å; P64-I127 HydrophobicContact CB-CG2 4.43Å
65G94.2Very high95Very high6 Ų644.9 Ų44.96%0.06224%0.244CC..THydrogen-bonded Turntrans-59.2-17.8177.800000114.3P19 G54 F57 G67P19-G65 WeakPolarHBondContact CB-O 3.42Å; G54-G65 CarbonylContact O-C 3.51Å; F57-G65 WeakPolarHBondContact O-CA 3.47Å; G65-G67 VanDerWaalsContact C-N 3.28Å; G65-G67 PolarHBondContact O-N 3.17Å
66T95.7Very high95Very high1 Ų150 Ų501%0.00627%0.268CS..THydrogen-bonded Turntrans-75.4-14.2172.661.10000113.8G23 S50 I55 P64 M68 I127G23-T66 VanDerWaalsContact CA-O 3.31Å; G23-T66 WeakPolarHBondContact CA-O 3.48Å; S50-T66 WeakPolarHBondContact OG-CG2 3.29Å; I55-T66 HydrophobicContact CG2-CG2 4.36Å; P64-T66 PolarHBondContact O-N 3.39Å; T66-M68 PolarHBondContact O-N 3.16Å; T66-M68 VanDerWaalsContact O-N 3.17Å; T66-M68 PolarHBondContact OG1-N 3.15Å; T66-I127 HydrophobicContact CG2-CD1 3.68Å; T66-I127 HydrophobicContact CG2-CG1 4.35Å; T66-I127 HydrophobicContact CG2-CG2 4.34Å
67G95.9Very high95Very high0 Ų051 Ų510%028%0.277CS..SBendtrans72-8.6-169.800000115.1P19 P64 G65P19-G67 WeakPolarHBondContact O-CA 3.35Å; P64-G67 PolarHBondContact O-N 3Å; G65-G67 VanDerWaalsContact C-N 3.28Å; G65-G67 PolarHBondContact O-N 3.17Å
68M95.9Very high95Very high2 Ų254.7 Ų54.71%0.0130%0.296CS..  trans-87.8117.4-179.3-62.3-171.7166.200110.2L26 L27 Y30 Y48 E49 P64 T66 T131L26-M68 HydrophobicContact CB-CE 3.38Å; L26-M68 HydrophobicContact CD1-CE 3.98Å; L26-M68 HydrophobicContact CG-CE 4.33Å; L27-M68 HydrophobicContact CD1-CB 4.11Å; L27-M68 HydrophobicContact CD1-CG 4.28Å; L27-M68 HydrophobicContact CD2-CB 4.45Å; L27-M68 HydrophobicContact CD2-CG 4.34Å; L27-M68 HydrophobicContact CD2-SD 4.32Å; L27-M68 HydrophobicContact CG-CB 4.27Å; L27-M68 HydrophobicContact CG-CG 3.98Å; L27-M68 HydrophobicContact CG-SD 4.46Å; Y30-M68 HydrophobicContact CD2-CE 4Å; Y30-M68 HydrophobicContact CE2-CE 3.94Å; Y48-M68 HydrophobicContact CD2-SD 3.73Å; Y48-M68 HydrophobicContact CE2-SD 3.75Å; E49-M68 VanDerWaalsContact O-CE 3.26Å; E49-M68 WeakPolarHBondContact O-CE 3.46Å; P64-M68 WeakPolarHBondContact CG-O 3.14Å; T66-M68 PolarHBondContact O-N 3.16Å; T66-M68 VanDerWaalsContact O-N 3.17Å; T66-M68 PolarHBondContact OG1-N 3.15Å; M68-T131 WeakPolarHBondContact O-CG2 3.47Å
69Q95.7Very high95.1Very high103 Ų10355.5 Ų55.548%0.48129%0.294SS..  trans-98.1-0.8-177.2-62.3174.211.900113.4I63I63-Q69 HydrophobicContact CG2-CG 4.14Å
70R97Very high95.2Very high40 Ų4052.5 Ų52.515%0.15128%0.282CS..SBendtrans-156.6165.4-178.755.4174.2177.183.3-1.3109.9L27 D31 L74 L75L27-R70 HydrophobicContact CD1-CG 4.01Å; L27-R70 HydrophobicContact CD2-CG 4.37Å; L27-R70 WeakPolarHBondContact CD2-O 3.36Å; D31-R70 VanDerWaalsContact CG-NH1 3.29Å; D31-R70 IonicContact OD1-CZ 3.66Å; D31-R70 IonicContact OD1-NH1 3.9Å; D31-R70 PolarHBondContact OD1-NH1 3.21Å; D31-R70 IonicContact OD1-NH2 3.7Å; D31-R70 IonicContact OD2-CZ 3.14Å; D31-R70 VanDerWaalsContact OD2-CZ 3.23Å; D31-R70 IonicContact OD2-NH1 3.85Å; D31-R70 PolarHBondContact OD2-NH1 3.08Å; D31-R70 IonicContact OD2-NH2 3.75Å; D31-R70 PolarHBondContact OD2-NH2 3.2Å; R70-L74 HydrophobicContact CB-CB 4.41Å; R70-L74 HydrophobicContact CB-CD2 3.73Å; R70-L75 VanDerWaalsContact NH2-CD1 3.33Å
71V97.9Very high95.5Very high0 Ų054.2 Ų54.20%028%0.279CS..  trans-73.1154.3166.1-590000111.2Y48 L74 A80 R81 G132Y48-V71 HydrophobicContact CE1-CB 4.43Å; Y48-V71 HydrophobicContact CE1-CG1 4.15Å; V71-L74 HydrophobicContact CG2-CB 3.92Å; V71-L74 HydrophobicContact CG2-CD1 4.4Å; V71-L74 HydrophobicContact CG2-CD2 4.48Å; V71-L74 HydrophobicContact CG2-CG 4.5Å; V71-L74 WeakPolarHBondContact O-CB 3.13Å; V71-L74 PolarHBondContact O-N 3.34Å; V71-A80 HydrophobicContact CG2-CB 4.05Å; V71-R81 HydrophobicContact CG1-CG 4.44Å; V71-R81 HydrophobicContact CG2-CB 4.47Å; V71-R81 HydrophobicContact CG2-CG 3.77Å; V71-G132 WeakPolarHBondContact CG1-O 3.3Å
72P97.8Very high95.8Very high0 Ų054 Ų540%027%0.27CS..THydrogen-bonded Turntrans-52.8142.7167.3-3341.2000114.2L27 Y30 V34 Y48 L74 A80L27-P72 HydrophobicContact CD2-CG 4.41Å; Y30-P72 HydrophobicContact CD1-CG 4.37Å; Y30-P72 HydrophobicContact CD2-CG 4.37Å; Y30-P72 HydrophobicContact CG-CB 4.48Å; Y30-P72 HydrophobicContact CG-CG 3.88Å; V34-P72 HydrophobicContact CG2-CB 3.67Å; Y48-P72 HydrophobicContact CD1-CG 4.04Å; Y48-P72 HydrophobicContact CD2-CG 4.06Å; Y48-P72 HydrophobicContact CG-CG 3.67Å; P72-L74 PolarHBondContact O-N 2.72Å; P72-A80 WeakPolarHBondContact O-CB 3.47Å
73G97.2Very high96.1Very high3 Ų353.2 Ų53.23%0.03125%0.251CS..THydrogen-bonded Turntrans75.1-4.3177.200000115.3D31 L75 Q76 D77D31-G73 PolarHBondContact OD1-N 3.06Å; G73-L75 PolarHBondContact O-N 3.23Å; G73-L75 VanDerWaalsContact O-N 3.16Å; G73-Q76 PolarHBondContact O-N 3.3Å; G73-Q76 PolarHBondContact O-OE1 2.82Å; G73-D77 PolarHBondContact O-N 3.35Å
74L97.3Very high96.3Very high33 Ų3351.3 Ų51.317%0.17324%0.241CC..THydrogen-bonded Turntrans-61.5-27-176.7-172.561.9000113.5R70 V71 P72 Q76 R81R70-L74 HydrophobicContact CB-CB 4.41Å; R70-L74 HydrophobicContact CB-CD2 3.73Å; V71-L74 HydrophobicContact CG2-CB 3.92Å; V71-L74 HydrophobicContact CG2-CD1 4.4Å; V71-L74 HydrophobicContact CG2-CD2 4.48Å; V71-L74 HydrophobicContact CG2-CG 4.5Å; V71-L74 WeakPolarHBondContact O-CB 3.13Å; V71-L74 PolarHBondContact O-N 3.34Å; P72-L74 PolarHBondContact O-N 2.72Å; L74-Q76 PolarHBondContact O-N 2.74Å; L74-R81 HydrophobicContact CD1-CG 4.05Å
75L95.9Very high96.4Very high118 Ų11851.7 Ų51.762%0.61824%0.243SC*.THydrogen-bonded Turntrans-69.9-19.8178.5-63.1-179.3000112.7R70 G73R70-L75 VanDerWaalsContact NH2-CD1 3.33Å; G73-L75 PolarHBondContact O-N 3.23Å; G73-L75 VanDerWaalsContact O-N 3.16Å
76Q95Very high96.6Very high108 Ų10851.4 Ų51.451%0.50524%0.241SC..THydrogen-bonded Turntrans-109.3-30.6-178.3-64.17823.300112.5G73 L74G73-Q76 PolarHBondContact O-N 3.3Å; G73-Q76 PolarHBondContact O-OE1 2.82Å; L74-Q76 PolarHBondContact O-N 2.74Å
77D95.5Very high96.7Very high67 Ų6751.4 Ų51.436%0.35824%0.24SC..  trans-140.6114.6-176.9-179.610.7000111.4G73 M79 A80G73-D77 PolarHBondContact O-N 3.35Å; D77-M79 PolarHBondContact O-N 2.9Å; D77-M79 VanDerWaalsContact O-N 3.16Å; D77-M79 VanDerWaalsContact OD1-CB 3.26Å; D77-M79 WeakPolarHBondContact OD1-CB 2.83Å; D77-M79 PolarHBondContact OD1-N 3.36Å; D77-A80 WeakPolarHBondContact O-CB 3.19Å; D77-A80 PolarHBondContact O-N 2.86Å
78E94Very high96.8Very high174 Ų17451.5 Ų51.581%0.81324%0.241SC*.G310 helixtrans-60.6-24.3175.8-65.6-168.7162.600112.9A80E78-A80 PolarHBondContact O-N 3.07Å
79M95.4Very high96.8Very high87 Ų8751.6 Ų51.643%0.42924%0.241SC..G310 helixtrans-77.8-6177.4-64.3-71.6-75.500113D77 R81 K82D77-M79 PolarHBondContact O-N 2.9Å; D77-M79 VanDerWaalsContact O-N 3.16Å; D77-M79 VanDerWaalsContact OD1-CB 3.26Å; D77-M79 WeakPolarHBondContact OD1-CB 2.83Å; D77-M79 PolarHBondContact OD1-N 3.36Å; M79-R81 PolarHBondContact O-N 3Å; M79-R81 VanDerWaalsContact O-N 3.13Å; M79-K82 HydrophobicContact CE-CD 3.57Å; M79-K82 PolarHBondContact O-N 3.07Å; M79-K82 HydrophobicContact SD-CD 3.87Å; M79-K82 PolarHBondContact SD-NZ 3.38Å; M79-K82 VanDerWaalsContact SD-NZ 3.39Å
80A97.4Very high96.9Very high6 Ų646.7 Ų46.75%0.0522%0.219CC..G310 helixtrans-54.8-33.7177.700000112.7V71 P72 D77 E78 K82 K83 S84V71-A80 HydrophobicContact CG2-CB 4.05Å; P72-A80 WeakPolarHBondContact O-CB 3.47Å; D77-A80 WeakPolarHBondContact O-CB 3.19Å; D77-A80 PolarHBondContact O-N 2.86Å; E78-A80 PolarHBondContact O-N 3.07Å; A80-K82 PolarHBondContact O-N 3.38Å; A80-K83 CarbonylContact O-C 3.56Å; A80-K83 PolarHBondContact O-N 2.91Å; A80-S84 WeakPolarHBondContact O-CB 3.28Å; A80-S84 PolarHBondContact O-N 2.82Å; A80-S84 VanDerWaalsContact O-N 3.07Å; A80-S84 PolarHBondContact O-OG 3.02Å
81R97.2Very high96.8Very high125 Ų12546.9 Ų46.947%0.47222%0.219SC..G310 helixtrans-60.4-28175-77.3177.4175.7150.20.4113.7V71 L74 M79 K83 T131 G133V71-R81 HydrophobicContact CG1-CG 4.44Å; V71-R81 HydrophobicContact CG2-CB 4.47Å; V71-R81 HydrophobicContact CG2-CG 3.77Å; L74-R81 HydrophobicContact CD1-CG 4.05Å; M79-R81 PolarHBondContact O-N 3Å; M79-R81 VanDerWaalsContact O-N 3.13Å; R81-K83 VanDerWaalsContact C-N 3.27Å; R81-T131 PolarHBondContact NE-O 2.88Å; R81-T131 VanDerWaalsContact NE-O 3.15Å; R81-G133 VanDerWaalsContact O-CA 3.26Å; R81-G133 WeakPolarHBondContact O-CA 3.27Å
82K97.2Very high96.6Very high154 Ų15447.1 Ų47.167%0.6722%0.221SC*.G310 helixtrans-82.8-9.3177.7-62.4-177.9-174.8168.30112.7M79 A80M79-K82 HydrophobicContact CE-CD 3.57Å; M79-K82 PolarHBondContact O-N 3.07Å; M79-K82 HydrophobicContact SD-CD 3.87Å; M79-K82 PolarHBondContact SD-NZ 3.38Å; M79-K82 VanDerWaalsContact SD-NZ 3.39Å; A80-K82 PolarHBondContact O-N 3.38Å
83K97Very high96.4Very high41 Ų4153.7 Ų53.718%0.17825%0.246CC..SBendtrans-127.514.6-172.5-60.6179.1172.9-179.20112.9K42 D43 I46 A80 R81K42-K83 PolarHBondContact O-NZ 3.44Å; D43-K83 IonicContact OD1-NZ 3.01Å; D43-K83 PolarHBondContact OD1-NZ 3.41Å; I46-K83 PolarHBondContact N-O 3.32Å; A80-K83 CarbonylContact O-C 3.56Å; A80-K83 PolarHBondContact O-N 2.91Å; R81-K83 VanDerWaalsContact C-N 3.27Å
84S98Very high96.2Very high4 Ų455.7 Ų55.73%0.02826%0.256CS..EExtended strand (participates in β ladder)trans-124.3136.5-179-57.90000110.2I46 A80 G133 G134I46-S84 WeakPolarHBondContact O-CA 3.2Å; A80-S84 WeakPolarHBondContact O-CB 3.28Å; A80-S84 PolarHBondContact O-N 2.82Å; A80-S84 VanDerWaalsContact O-N 3.07Å; A80-S84 PolarHBondContact O-OG 3.02Å; S84-G133 CarbonylContact O-C 3.12Å; S84-G133 VanDerWaalsContact O-CA 3.25Å; S84-G133 WeakPolarHBondContact O-CA 3.48Å; S84-G134 PolarHBondContact O-N 3.41Å
85V98.2Very high96.1Very high13 Ų1354.9 Ų54.98%0.07925%0.252CS..EExtended strand (participates in β ladder)trans-130.1122.7-176.3-176.80000107.9L45 I46 F47 Y48 S87 G134 F136L45-V85 HydrophobicContact CB-CG2 4.39Å; L45-V85 HydrophobicContact CD1-CG2 4.33Å; I46-V85 PolarHBondContact O-N 2.8Å; F47-V85 WeakPolarHBondContact CA-O 3.31Å; F47-V85 HydrophobicContact CD1-CB 4.24Å; F47-V85 HydrophobicContact CD1-CG1 4.02Å; F47-V85 HydrophobicContact CD2-CB 4.22Å; F47-V85 HydrophobicContact CD2-CG2 4.43Å; F47-V85 HydrophobicContact CE1-CB 4.34Å; F47-V85 HydrophobicContact CE1-CG1 3.87Å; F47-V85 HydrophobicContact CE2-CB 4.3Å; F47-V85 HydrophobicContact CE2-CG2 4.17Å; F47-V85 HydrophobicContact CG-CB 4.17Å; F47-V85 HydrophobicContact CG-CG1 4.46Å; F47-V85 HydrophobicContact CZ-CB 4.37Å; F47-V85 HydrophobicContact CZ-CG1 4.18Å; F47-V85 HydrophobicContact CZ-CG2 4.37Å; Y48-V85 WeakPolarHBondContact CD1-O 3.41Å; Y48-V85 VanDerWaalsContact CE1-C 3.46Å; Y48-V85 WeakPolarHBondContact CE1-O 3.44Å; Y48-V85 PolarHBondContact N-O 3.25Å; V85-S87 PolarHBondContact O-N 3Å; V85-G134 WeakPolarHBondContact CA-O 3.25Å; V85-F136 HydrophobicContact CG1-CB 3.57Å
86L97.9Very high95.7Very high1 Ų155.7 Ų55.71%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-70.7108.6170.9178.163.6000108.7Y48 V124 I127 V128 G134 R135 F136Y48-L86 HydrophobicContact CD2-CD1 4.27Å; Y48-L86 HydrophobicContact CE1-CB 4.31Å; Y48-L86 HydrophobicContact CE2-CB 4.44Å; Y48-L86 HydrophobicContact CE2-CD1 3.72Å; L86-V124 HydrophobicContact CD2-CG1 4.21Å; L86-I127 HydrophobicContact CD2-CB 4.32Å; L86-I127 HydrophobicContact CD2-CG2 3.72Å; L86-V128 HydrophobicContact CB-CG2 3.92Å; L86-V128 HydrophobicContact CD2-CG2 3.82Å; L86-G134 PolarHBondContact N-O 3.46Å; L86-R135 CarbonylContact O-C 3.44Å; L86-R135 WeakPolarHBondContact O-CA 3.36Å; L86-F136 PolarHBondContact O-N 3.28Å
87S97.8Very high95.3Very high0 Ų055.5 Ų55.50%026%0.263CS..EExtended strand (participates in β ladder)trans-74.9134.8164.9-148.50000108.3Y48 E49 V85 T138Y48-S87 VanDerWaalsContact O-CB 3.27Å; Y48-S87 WeakPolarHBondContact O-CB 3.35Å; Y48-S87 PolarHBondContact O-N 3.38Å; E49-S87 WeakPolarHBondContact CG-O 3.48Å; V85-S87 PolarHBondContact O-N 3Å; S87-T138 WeakPolarHBondContact OG-CG2 3.48Å; S87-T138 PolarHBondContact OG-OG1 2.9Å
88Y97.5Very high95Very high2 Ų253.7 Ų53.71%0.00825%0.254CS..EExtended strand (participates in β ladder)trans-155.9158.4173.570.3-75.8000111.5I55 T120 V124 R135 F136 L137 T138 E169I55-Y88 HydrophobicContact CD1-CD2 4.05Å; Y88-T120 HydrophobicContact CE2-CG2 4.46Å; Y88-V124 HydrophobicContact CD1-CG1 3.89Å; Y88-V124 HydrophobicContact CD1-CG2 4.32Å; Y88-V124 HydrophobicContact CD2-CG2 3.7Å; Y88-V124 HydrophobicContact CE1-CG1 3.62Å; Y88-V124 HydrophobicContact CE1-CG2 4.42Å; Y88-V124 HydrophobicContact CE2-CB 4.44Å; Y88-V124 HydrophobicContact CE2-CG1 4.34Å; Y88-V124 HydrophobicContact CE2-CG2 3.77Å; Y88-V124 HydrophobicContact CG-CG1 4.37Å; Y88-V124 HydrophobicContact CG-CG2 3.96Å; Y88-R135 HydrophobicContact CE1-CB 4.32Å; Y88-F136 VanDerWaalsContact CD1-O 3.28Å; Y88-F136 WeakPolarHBondContact CD1-O 3.48Å; Y88-F136 VanDerWaalsContact CE1-C 3.48Å; Y88-F136 WeakPolarHBondContact CE1-O 3.32Å; Y88-F136 PolarHBondContact N-O 3.18Å; Y88-L137 HydrophobicContact CD2-CD1 3.9Å; Y88-L137 HydrophobicContact CE1-CB 4.19Å; Y88-L137 HydrophobicContact CE2-CB 4.33Å; Y88-L137 HydrophobicContact CE2-CD1 3.5Å; Y88-L137 HydrophobicContact CE2-CG 4.49Å; Y88-T138 PolarHBondContact O-N 3.03Å; Y88-T138 PolarHBondContact O-OG1 2.94Å; Y88-E169 WeakPolarHBondContact CE1-OE1 3.47Å; Y88-E169 WeakPolarHBondContact OH-CG 3.14Å; Y88-E169 PolarHBondContact OH-OE1 3.15Å
89H96.4Very high95Very high5 Ų548.8 Ų48.82%0.02324%0.237CC..EExtended strand (participates in β ladder)trans-113152.1-175.4-54.4167.5000111.2N3 E4 E49 I55 Y91 T138 E139N3-H89 PolarHBondContact OD1-CE1 3.13Å; N3-H89 PolarHBondContact OD1-NE2 3.09Å; E4-H89 IonicContact OE1-CE1 3.36Å; E4-H89 PolarHBondContact OE1-CE1 3.09Å; E4-H89 IonicContact OE1-ND1 3.48Å; E4-H89 PolarHBondContact OE1-ND1 3.28Å; E4-H89 VanDerWaalsContact OE1-ND1 3.14Å; E49-H89 IonicContact OE1-CE1 3.7Å; E49-H89 IonicContact OE1-ND1 2.7Å; E49-H89 IonicContact OE2-CE1 3.99Å; E49-H89 IonicContact OE2-NE2 3.42Å; I55-H89 WeakPolarHBondContact CD1-O 3.42Å; H89-Y91 HydrophobicContact CB-CD2 4.29Å; H89-Y91 HydrophobicContact CB-CE2 3.85Å; H89-T138 PolarHBondContact CD2-OG1 2.81Å; H89-T138 PolarHBondContact NE2-OG1 2.95Å; H89-E139 CarbonylContact C-O 3.56Å; H89-E139 WeakPolarHBondContact CA-O 3.29Å; H89-E139 HydrophobicContact CB-CB 4.08Å; H89-E139 VanDerWaalsContact CD2-CB 3.45Å; H89-E139 WeakPolarHBondContact CD2-CB 3.14Å; H89-E139 IonicContact CE1-OE1 3.38Å; H89-E139 PolarHBondContact CE1-OE1 2.77Å; H89-E139 IonicContact CE1-OE2 2.77Å; H89-E139 PolarHBondContact CE1-OE2 3.37Å; H89-E139 IonicContact CG-OE2 3.21Å; H89-E139 IonicContact ND1-OE2 3.58Å; H89-E139 PolarHBondContact ND1-OE2 2.9Å; H89-E139 WeakPolarHBondContact NE2-CG 3.16Å; H89-E139 IonicContact NE2-OE1 3.04Å
90Y96.9Very high94.8Very high0 Ų046 Ų460%023%0.229CC..EExtended strand (participates in β ladder)trans-130120.6170.8170.9-92.3000111.6Y56 C112 L116 L117 T120 E139 F140 S141 E156 V160Y56-Y90 HydrophobicContact CE1-CD2 4.39Å; Y90-C112 PolarHBondContact OH-O 3.5Å; Y90-L116 HydrophobicContact CE2-CD2 4.25Å; Y90-L116 HydrophobicContact CE2-CG 4.01Å; Y90-L117 HydrophobicContact CD1-CD1 3.85Å; Y90-L117 HydrophobicContact CD2-CD1 4.02Å; Y90-L117 HydrophobicContact CE1-CD1 3.61Å; Y90-L117 HydrophobicContact CE2-CB 3.98Å; Y90-L117 HydrophobicContact CE2-CD1 3.77Å; Y90-L117 HydrophobicContact CG-CD1 4.06Å; Y90-T120 HydrophobicContact CD2-CG2 4.11Å; Y90-E139 PolarHBondContact N-O 3.46Å; Y90-F140 CarbonylContact O-C 3.59Å; Y90-F140 WeakPolarHBondContact O-CA 3.32Å; Y90-S141 PolarHBondContact O-N 2.94Å; Y90-E156 WeakPolarHBondContact CE1-OE1 3.41Å; Y90-V160 HydrophobicContact CD1-CG1 4.38Å; Y90-V160 HydrophobicContact CD1-CG2 3.6Å; Y90-V160 HydrophobicContact CE1-CG2 3.47Å; Y90-V160 VanDerWaalsContact CE1-CG2 3.47Å
91Y94.7Very high94.6Very high43 Ų4350.2 Ų50.217%0.16925%0.254CS..  trans-131.1133.5170.1-62.8-89.9000110.5Y56 H89 W93 E139 S141 L142 W174Y56-Y91 PolarHBondContact OH-N 2.93Å; Y56-Y91 PolarHBondContact OH-O 2.86Å; H89-Y91 HydrophobicContact CB-CD2 4.29Å; H89-Y91 HydrophobicContact CB-CE2 3.85Å; Y91-W93 PolarHBondContact O-N 3.29Å; Y91-E139 PolarHBondContact OH-OE2 2.74Å; Y91-E139 VanDerWaalsContact OH-OE2 3.1Å; Y91-S141 VanDerWaalsContact CE1-O 3.27Å; Y91-S141 WeakPolarHBondContact CE1-O 3.31Å; Y91-L142 HydrophobicContact CD1-CG 4.46Å; Y91-L142 HydrophobicContact CE1-CD2 4.31Å; Y91-L142 HydrophobicContact CE1-CG 4.11Å; Y91-W174 PolarHBondContact OH-NE1 2.96Å
92C95.5Very high94.5Very high5 Ų549.1 Ų49.13%0.03425%0.254CS..  trans-82.3101.3164.1-165.70000110.4L94 L95 C112 L116C92-L94 PolarHBondContact O-N 3.36Å; C92-L95 HydrophobicContact CB-CD1 3.87Å; C92-L95 HydrophobicContact CB-CG 4Å; C92-L95 WeakPolarHBondContact O-CB 3.34Å; C92-L95 PolarHBondContact O-N 3.24Å; C92-C112 HydrophobicContact CB-CB 3.72Å; C92-C112 WeakPolarHBondContact CB-SG 3.42Å; C92-C112 VanDerWaalsContact SG-CA 3.57Å; C92-C112 WeakPolarHBondContact SG-CB 3.46Å; C92-C112 CovalentContact SG-SG 2.03Å; C92-C112 PolarHBondContact SG-SG 3.36Å; C92-L116 HydrophobicContact CB-CD2 4.34Å
93W92.4Very high94.5Very high138 Ų13846.7 Ų46.752%0.52325%0.245SC..G310 helixtrans-60.2-21-178.557.272.2000113.9Y56 Y91 L95 Q96 L116Y56-W93 HydrophobicContact CD1-CZ3 4.2Å; Y56-W93 HydrophobicContact CE1-CZ3 4.31Å; Y56-W93 HydrophobicContact CG-CZ3 4.3Å; Y91-W93 PolarHBondContact O-N 3.29Å; W93-L95 PolarHBondContact O-N 3.47Å; W93-Q96 PolarHBondContact O-N 2.84Å; W93-L116 HydrophobicContact CD2-CD2 4.43Å; W93-L116 HydrophobicContact CE3-CD2 4.16Å; W93-L116 HydrophobicContact CH2-CD1 3.56Å; W93-L116 HydrophobicContact CH2-CD2 4.18Å; W93-L116 HydrophobicContact CZ2-CD1 4.24Å; W93-L116 HydrophobicContact CZ2-CD2 4.42Å; W93-L116 HydrophobicContact CZ3-CD1 3.86Å; W93-L116 HydrophobicContact CZ3-CD2 4.04Å
94L93.7Very high94.5Very high46 Ų4644.9 Ų44.924%0.24124%0.237CC..G310 helixtrans-65.3-18.6175.5-60.4177.1000113.3C92 K108 L111C92-L94 PolarHBondContact O-N 3.36Å; L94-K108 WeakPolarHBondContact O-CE 2.99Å; L94-K108 PolarHBondContact O-NZ 2.74Å; L94-L111 HydrophobicContact CD1-CB 3.57Å; L94-L111 HydrophobicContact CD1-CD1 3.6Å; L94-L111 HydrophobicContact CD1-CG 4.24Å
95L93.8Very high94.4Very high16 Ų1646.4 Ų46.48%0.08425%0.247CC..G310 helixtrans-94.8-16.4-178.3-54.3179.7000112.7C92 W93 S97 T98 M104 K108 I152 E156C92-L95 HydrophobicContact CB-CD1 3.87Å; C92-L95 HydrophobicContact CB-CG 4Å; C92-L95 WeakPolarHBondContact O-CB 3.34Å; C92-L95 PolarHBondContact O-N 3.24Å; W93-L95 PolarHBondContact O-N 3.47Å; L95-S97 PolarHBondContact O-N 2.72Å; L95-S97 VanDerWaalsContact O-N 3.17Å; L95-T98 PolarHBondContact O-N 3.03Å; L95-M104 HydrophobicContact CD1-CE 3.74Å; L95-M104 HydrophobicContact CD2-CE 3.65Å; L95-M104 HydrophobicContact CD2-SD 3.58Å; L95-M104 VanDerWaalsContact CD2-SD 3.58Å; L95-M104 HydrophobicContact CG-CE 4.36Å; L95-K108 HydrophobicContact CD2-CB 4.21Å; L95-K108 HydrophobicContact CD2-CD 4.01Å; L95-I152 HydrophobicContact CB-CG2 4.32Å; L95-I152 HydrophobicContact CD1-CG2 4.14Å; L95-I152 HydrophobicContact CD2-CG2 4.29Å; L95-I152 HydrophobicContact CG-CG2 4.48Å; L95-E156 HydrophobicContact CD1-CB 3.99Å; L95-E156 HydrophobicContact CD1-CG 3.85Å; L95-E156 WeakPolarHBondContact CD1-OE2 3.27Å
96Q88.2Confident94.4Very high135 Ų13550 Ų5063%0.63127%0.272SS*.THydrogen-bonded Turntrans-64-25.2-174.5-70.6177.5-9.500113.9W93W93-Q96 PolarHBondContact O-N 2.84Å
97S87.1Confident94.3Very high103 Ų10357.2 Ų57.272%0.7230%0.299SS*.THydrogen-bonded Turntrans-94.41.7-178.8600000114.3L95L95-S97 PolarHBondContact O-N 2.72Å; L95-S97 VanDerWaalsContact O-N 3.17Å
98T89.7Confident94.3Very high29 Ų2957.9 Ų57.918%0.17830%0.303CS..SBendtrans-120.3132.5-178.5-56.90000109.6L95 A100 E102 K108 I152L95-T98 PolarHBondContact O-N 3.03Å; T98-A100 PolarHBondContact O-N 3.1Å; T98-E102 HydrophobicContact CG2-CB 4.14Å; T98-E102 WeakPolarHBondContact CG2-OE2 3.43Å; T98-K108 PolarHBondContact OG1-NZ 3.48Å; T98-I152 HydrophobicContact CG2-CD1 3.42Å; T98-I152 VanDerWaalsContact CG2-CD1 3.42Å
99P92.4Very high94.3Very high71 Ų7161.2 Ų61.246%0.46132%0.318SS..  trans-53.8130.1174.2-24.533.7000111.2T101 E102P99-T101 PolarHBondContact O-N 3.42Å; P99-T101 VanDerWaalsContact O-N 3.12Å; P99-E102 HydrophobicContact CB-CG 4.17Å; P99-E102 WeakPolarHBondContact CD-OE1 3.49Å; P99-E102 HydrophobicContact CG-CG 4.45Å; P99-E102 WeakPolarHBondContact CG-OE1 3.03Å; P99-E102 WeakPolarHBondContact O-CB 3.45Å; P99-E102 PolarHBondContact O-N 3.02Å
100A92Very high94.3Very high30 Ų3067.5 Ų67.525%0.24834%0.343CS..THydrogen-bonded Turntrans-67.1-16.9-171.900000113.8T98 E102 I152 N153T98-A100 PolarHBondContact O-N 3.1Å; A100-E102 VanDerWaalsContact C-N 3.31Å; A100-I152 HydrophobicContact CB-CG2 4.31Å; A100-I152 CarbonylContact O-C 3.5Å; A100-I152 WeakPolarHBondContact O-CB 3.33Å; A100-I152 PolarHBondContact O-N 3.14Å; A100-N153 WeakPolarHBondContact CB-OD1 3.25Å; A100-N153 WeakPolarHBondContact O-CB 3.27Å; A100-N153 PolarHBondContact O-N 2.88Å; A100-N153 PolarHBondContact O-ND2 3.39Å
101T93.6Very high94.4Very high94 Ų9470.5 Ų70.558%0.57736%0.358SS*.THydrogen-bonded Turntrans-77.9-13.2174.354.80000113.5P99P99-T101 PolarHBondContact O-N 3.42Å; P99-T101 VanDerWaalsContact O-N 3.12Å
102E95.8Very high94.5Very high102 Ų10268.5 Ų68.548%0.47735%0.35SS..SBendtrans-75.3157.9178.7-71.9-176.8-161.900112.2T98 P99 A100 M104 S151 I152T98-E102 HydrophobicContact CG2-CB 4.14Å; T98-E102 WeakPolarHBondContact CG2-OE2 3.43Å; P99-E102 HydrophobicContact CB-CG 4.17Å; P99-E102 WeakPolarHBondContact CD-OE1 3.49Å; P99-E102 HydrophobicContact CG-CG 4.45Å; P99-E102 WeakPolarHBondContact CG-OE1 3.03Å; P99-E102 WeakPolarHBondContact O-CB 3.45Å; P99-E102 PolarHBondContact O-N 3.02Å; A100-E102 VanDerWaalsContact C-N 3.31Å; E102-M104 PolarHBondContact O-N 3.46Å; E102-S151 CarbonylContact O-C 3.49Å; E102-S151 WeakPolarHBondContact O-CA 3.41Å; E102-I152 WeakPolarHBondContact O-CG1 3.49Å; E102-I152 PolarHBondContact O-N 3.19Å
103H97Very high94.6Very high102 Ų10268.9 Ų68.947%0.47235%0.352SS..BIsolated β-bridgetrans-60.1130175.6169.7-75.7000111.4P105 E150H103-P105 WeakPolarHBondContact O-CD 3.38Å; H103-E150 CarbonylContact C-O 3.5Å; H103-E150 WeakPolarHBondContact CA-O 3.42Å; H103-E150 IonicContact CD2-OE2 2.65Å
104M96.7Very high94.7Very high4 Ų467.1 Ų67.12%0.0235%0.35CS..  trans-66.7112.4176.9178.665.382.600111.5L95 E102 S106 K108 Q109 E150 I152 V155 E156L95-M104 HydrophobicContact CD1-CE 3.74Å; L95-M104 HydrophobicContact CD2-CE 3.65Å; L95-M104 HydrophobicContact CD2-SD 3.58Å; L95-M104 VanDerWaalsContact CD2-SD 3.58Å; L95-M104 HydrophobicContact CG-CE 4.36Å; E102-M104 PolarHBondContact O-N 3.46Å; M104-S106 PolarHBondContact O-N 2.86Å; M104-K108 HydrophobicContact SD-CB 4.03Å; M104-Q109 HydrophobicContact CG-CB 3.7Å; M104-Q109 HydrophobicContact CG-CG 4.27Å; M104-Q109 HydrophobicContact SD-CB 4.36Å; M104-E150 PolarHBondContact N-O 3.17Å; M104-I152 HydrophobicContact CB-CG1 4.03Å; M104-I152 HydrophobicContact CE-CB 4.14Å; M104-I152 HydrophobicContact CE-CG1 3.89Å; M104-I152 HydrophobicContact CE-CG2 4.05Å; M104-I152 HydrophobicContact SD-CG1 3.88Å; M104-V155 HydrophobicContact CB-CB 4.12Å; M104-V155 HydrophobicContact CB-CG1 4.21Å; M104-V155 HydrophobicContact CB-CG2 4.08Å; M104-V155 HydrophobicContact CE-CB 4.27Å; M104-V155 HydrophobicContact CE-CG1 4.11Å; M104-V155 HydrophobicContact CG-CB 4.32Å; M104-V155 HydrophobicContact CG-CG1 3.91Å; M104-E156 HydrophobicContact CE-CB 4.3Å
105P96.3Very high94.9Very high36 Ų3669 Ų6923%0.23436%0.359CS..  trans-64132.7176-1933.1000110.8H103 W107 K108 Q109H103-P105 WeakPolarHBondContact O-CD 3.38Å; P105-W107 PolarHBondContact O-N 2.98Å; P105-K108 HydrophobicContact CB-CB 4.44Å; P105-K108 HydrophobicContact CB-CG 4.23Å; P105-K108 HydrophobicContact CG-CD 4.11Å; P105-K108 HydrophobicContact CG-CG 4.24Å; P105-K108 WeakPolarHBondContact O-CA 3.15Å; P105-K108 WeakPolarHBondContact O-CB 3.17Å; P105-K108 PolarHBondContact O-N 3.43Å; P105-Q109 PolarHBondContact O-N 3.07Å
106S96.8Very high95Very high88 Ų8869.3 Ų69.362%0.61536%0.361SS*.Hα-helixtrans-56.5-32.9-174.1-45.50000113.7M104 Y110M104-S106 PolarHBondContact O-N 2.86Å; S106-Y110 WeakPolarHBondContact O-CB 3.39Å; S106-Y110 PolarHBondContact O-N 3.01Å
107W96.7Very high95.5Very high152 Ų15262.9 Ų62.958%0.57633%0.331SS*.Hα-helixtrans-70.7-36.3176.572.6-94000112.4P105 L111P105-W107 PolarHBondContact O-N 2.98Å; W107-L111 HydrophobicContact CE3-CD1 3.69Å; W107-L111 HydrophobicContact CZ3-CD1 3.81Å; W107-L111 VanDerWaalsContact O-CG 3.31Å; W107-L111 WeakPolarHBondContact O-CG 3.28Å; W107-L111 PolarHBondContact O-N 3.25Å
108K96.7Very high95.9Very high15 Ų1560 Ų607%0.06531%0.308CS..Hα-helixtrans-67.5-46.5173.9-69.2-164-178.5-167.60110L94 L95 T98 M104 P105 Y110 L111 C112L94-K108 WeakPolarHBondContact O-CE 2.99Å; L94-K108 PolarHBondContact O-NZ 2.74Å; L95-K108 HydrophobicContact CD2-CB 4.21Å; L95-K108 HydrophobicContact CD2-CD 4.01Å; T98-K108 PolarHBondContact OG1-NZ 3.48Å; M104-K108 HydrophobicContact SD-CB 4.03Å; P105-K108 HydrophobicContact CB-CB 4.44Å; P105-K108 HydrophobicContact CB-CG 4.23Å; P105-K108 HydrophobicContact CG-CD 4.11Å; P105-K108 HydrophobicContact CG-CG 4.24Å; P105-K108 WeakPolarHBondContact O-CA 3.15Å; P105-K108 WeakPolarHBondContact O-CB 3.17Å; P105-K108 PolarHBondContact O-N 3.43Å; K108-Y110 VanDerWaalsContact C-N 3.31Å; K108-Y110 PolarHBondContact O-N 2.83Å; K108-L111 PolarHBondContact O-N 2.88Å; K108-L111 VanDerWaalsContact O-N 3.16Å; K108-C112 WeakPolarHBondContact O-CB 3.19Å; K108-C112 PolarHBondContact O-N 3.13Å; K108-C112 PolarHBondContact O-SG 3.17Å
109Q97.1Very high96.3Very high72 Ų7262.6 Ų62.634%0.33632%0.315SS..Hα-helixtrans-53.4-48.8175.8-171.1-179.82.200111.5M104 P105 L111 C112 D113 V155M104-Q109 HydrophobicContact CG-CB 3.7Å; M104-Q109 HydrophobicContact CG-CG 4.27Å; M104-Q109 HydrophobicContact SD-CB 4.36Å; P105-Q109 PolarHBondContact O-N 3.07Å; Q109-L111 PolarHBondContact O-N 2.9Å; Q109-C112 PolarHBondContact O-N 3.39Å; Q109-D113 WeakPolarHBondContact CG-OD2 3.13Å; Q109-D113 PolarHBondContact NE2-OD2 2.85Å; Q109-D113 VanDerWaalsContact O-CB 3.24Å; Q109-D113 WeakPolarHBondContact O-CB 3.37Å; Q109-D113 VanDerWaalsContact O-CG 3.27Å; Q109-D113 PolarHBondContact O-N 3.32Å; Q109-V155 HydrophobicContact CG-CG1 4.05Å
110Y97.7Very high96.5Very high136 Ų13659.2 Ų59.253%0.53329%0.293SS..Iπ-helixtrans-59.7-46.4178.4179.4-94.4000112.4S106 K108 Q114 L115S106-Y110 WeakPolarHBondContact O-CB 3.39Å; S106-Y110 PolarHBondContact O-N 3.01Å; K108-Y110 VanDerWaalsContact C-N 3.31Å; K108-Y110 PolarHBondContact O-N 2.83Å; Y110-Q114 HydrophobicContact CD2-CB 3.97Å; Y110-Q114 HydrophobicContact CD2-CG 3.83Å; Y110-Q114 HydrophobicContact CE2-CB 3.94Å; Y110-Q114 HydrophobicContact CE2-CG 4.1Å; Y110-Q114 HydrophobicContact CG-CB 4.5Å; Y110-Q114 WeakPolarHBondContact O-CA 3.26Å; Y110-Q114 VanDerWaalsContact O-CB 3.27Å; Y110-Q114 WeakPolarHBondContact O-CB 3.38Å; Y110-Q114 PolarHBondContact O-N 2.97Å; Y110-L115 HydrophobicContact CE1-CD1 4.05Å; Y110-L115 HydrophobicContact CE1-CD2 4.26Å; Y110-L115 HydrophobicContact CE1-CG 4.05Å; Y110-L115 PolarHBondContact O-N 2.88Å
111L97.7Very high96.8Very high64 Ų6457.9 Ų57.934%0.33528%0.282SS..Iπ-helixtrans-66-41.2-179.9-66.9178000112.4L94 W107 K108 Q109 L115 L116L94-L111 HydrophobicContact CD1-CB 3.57Å; L94-L111 HydrophobicContact CD1-CD1 3.6Å; L94-L111 HydrophobicContact CD1-CG 4.24Å; W107-L111 HydrophobicContact CE3-CD1 3.69Å; W107-L111 HydrophobicContact CZ3-CD1 3.81Å; W107-L111 VanDerWaalsContact O-CG 3.31Å; W107-L111 WeakPolarHBondContact O-CG 3.28Å; W107-L111 PolarHBondContact O-N 3.25Å; K108-L111 PolarHBondContact O-N 2.88Å; K108-L111 VanDerWaalsContact O-N 3.16Å; Q109-L111 PolarHBondContact O-N 2.9Å; L111-L115 HydrophobicContact CD2-CD1 3.56Å; L111-L115 WeakPolarHBondContact O-CB 3.47Å; L111-L116 WeakPolarHBondContact O-CB 3.48Å; L111-L116 PolarHBondContact O-N 2.76Å
112C97.2Very high96.9Very high0 Ų060.3 Ų60.30%028%0.284CS..Iπ-helixtrans-68.7-59.4177-60.70000110.7Y90 C92 K108 Q109 L116 L117Y90-C112 PolarHBondContact OH-O 3.5Å; C92-C112 HydrophobicContact CB-CB 3.72Å; C92-C112 WeakPolarHBondContact CB-SG 3.42Å; C92-C112 VanDerWaalsContact SG-CA 3.57Å; C92-C112 WeakPolarHBondContact SG-CB 3.46Å; C92-C112 CovalentContact SG-SG 2.03Å; C92-C112 PolarHBondContact SG-SG 3.36Å; K108-C112 WeakPolarHBondContact O-CB 3.19Å; K108-C112 PolarHBondContact O-N 3.13Å; K108-C112 PolarHBondContact O-SG 3.17Å; Q109-C112 PolarHBondContact O-N 3.39Å; C112-L116 PolarHBondContact O-N 2.85Å; C112-L117 WeakPolarHBondContact O-CB 3.46Å; C112-L117 PolarHBondContact O-N 3.29Å
113D97.2Very high97Very high14 Ų1456 Ų568%0.07526%0.264CS..Iπ-helixtrans-74.5-45.7-168.4-610.6000112.6Q109 N118 A159Q109-D113 WeakPolarHBondContact CG-OD2 3.13Å; Q109-D113 PolarHBondContact NE2-OD2 2.85Å; Q109-D113 VanDerWaalsContact O-CB 3.24Å; Q109-D113 WeakPolarHBondContact O-CB 3.37Å; Q109-D113 VanDerWaalsContact O-CG 3.27Å; Q109-D113 PolarHBondContact O-N 3.32Å; D113-N118 PolarHBondContact O-ND2 3.06Å; D113-A159 VanDerWaalsContact OD1-CB 3.32Å; D113-A159 WeakPolarHBondContact OD1-CB 3.27Å
114Q96.1Very high97Very high100 Ų10051.1 Ų51.147%0.46724%0.242SC..Iπ-helixtrans-91.2-29.6-168.8-56.6-56-39.600112.6Y110 N118Y110-Q114 HydrophobicContact CD2-CB 3.97Å; Y110-Q114 HydrophobicContact CD2-CG 3.83Å; Y110-Q114 HydrophobicContact CE2-CB 3.94Å; Y110-Q114 HydrophobicContact CE2-CG 4.1Å; Y110-Q114 HydrophobicContact CG-CB 4.5Å; Y110-Q114 WeakPolarHBondContact O-CA 3.26Å; Y110-Q114 VanDerWaalsContact O-CB 3.27Å; Y110-Q114 WeakPolarHBondContact O-CB 3.38Å; Y110-Q114 PolarHBondContact O-N 2.97Å; Q114-N118 WeakPolarHBondContact O-CB 3.46Å; Q114-N118 PolarHBondContact O-ND2 3.24Å
115L96.8Very high97.1Very high85 Ų8557.4 Ų57.445%0.44527%0.265SS..Iπ-helixtrans-102.8-69.3-179.9-54.4-174.2000111.8Y110 L111 Y119Y110-L115 HydrophobicContact CE1-CD1 4.05Å; Y110-L115 HydrophobicContact CE1-CD2 4.26Å; Y110-L115 HydrophobicContact CE1-CG 4.05Å; Y110-L115 PolarHBondContact O-N 2.88Å; L111-L115 HydrophobicContact CD2-CD1 3.56Å; L111-L115 WeakPolarHBondContact O-CB 3.47Å; L115-Y119 WeakPolarHBondContact O-CB 3.09Å; L115-Y119 PolarHBondContact O-N 2.03Å
116L96.8Very high97.1Very high23 Ų2358 Ų5812%0.1227%0.27CS..Iπ-helixtrans-66.6-48.9-168.4-174.463.9000112.5Y56 Y90 C92 W93 L111 C112 Y119 T120Y56-L116 HydrophobicContact CD1-CD1 3.67Å; Y56-L116 HydrophobicContact CE1-CD1 3.79Å; Y56-L116 HydrophobicContact CE1-CG 4.17Å; Y90-L116 HydrophobicContact CE2-CD2 4.25Å; Y90-L116 HydrophobicContact CE2-CG 4.01Å; C92-L116 HydrophobicContact CB-CD2 4.34Å; W93-L116 HydrophobicContact CD2-CD2 4.43Å; W93-L116 HydrophobicContact CE3-CD2 4.16Å; W93-L116 HydrophobicContact CH2-CD1 3.56Å; W93-L116 HydrophobicContact CH2-CD2 4.18Å; W93-L116 HydrophobicContact CZ2-CD1 4.24Å; W93-L116 HydrophobicContact CZ2-CD2 4.42Å; W93-L116 HydrophobicContact CZ3-CD1 3.86Å; W93-L116 HydrophobicContact CZ3-CD2 4.04Å; L111-L116 WeakPolarHBondContact O-CB 3.48Å; L111-L116 PolarHBondContact O-N 2.76Å; C112-L116 PolarHBondContact O-N 2.85Å; L116-Y119 PolarHBondContact O-N 3.34Å; L116-T120 WeakPolarHBondContact O-CB 3.42Å; L116-T120 PolarHBondContact O-N 3.26Å; L116-T120 PolarHBondContact O-OG1 2.87Å
117L97.3Very high97.1Very high1 Ų153.8 Ų53.81%0.00524%0.241CC..Iπ-helixtrans-60.9-54179.1-175.863.4000111.1Y90 C112 Y119 T120 F121 A159 V160 A163Y90-L117 HydrophobicContact CD1-CD1 3.85Å; Y90-L117 HydrophobicContact CD2-CD1 4.02Å; Y90-L117 HydrophobicContact CE1-CD1 3.61Å; Y90-L117 HydrophobicContact CE2-CB 3.98Å; Y90-L117 HydrophobicContact CE2-CD1 3.77Å; Y90-L117 HydrophobicContact CG-CD1 4.06Å; C112-L117 WeakPolarHBondContact O-CB 3.46Å; C112-L117 PolarHBondContact O-N 3.29Å; L117-Y119 VanDerWaalsContact C-N 3.28Å; L117-Y119 PolarHBondContact O-N 3.36Å; L117-T120 PolarHBondContact O-N 3.1Å; L117-T120 VanDerWaalsContact O-N 3.13Å; L117-F121 HydrophobicContact CD1-CD2 3.74Å; L117-F121 HydrophobicContact CD1-CE2 3.41Å; L117-F121 VanDerWaalsContact CD1-CE2 3.41Å; L117-F121 HydrophobicContact CG-CD2 4.18Å; L117-F121 HydrophobicContact CG-CE2 4.21Å; L117-F121 WeakPolarHBondContact O-CD2 3.1Å; L117-F121 PolarHBondContact O-N 3Å; L117-A159 HydrophobicContact CD2-CB 4.4Å; L117-V160 HydrophobicContact CD1-CG2 4.07Å; L117-A163 HydrophobicContact CD1-CB 4.19Å; L117-A163 HydrophobicContact CD2-CB 3.58Å; L117-A163 HydrophobicContact CG-CB 3.83Å
118N97Very high97.1Very high41 Ų4147.4 Ų47.422%0.21922%0.219CC..Hα-helixtrans-59.4-39178.1-77.4-25.8000112.4D113 Q114 K122D113-N118 PolarHBondContact O-ND2 3.06Å; Q114-N118 WeakPolarHBondContact O-CB 3.46Å; Q114-N118 PolarHBondContact O-ND2 3.24Å; N118-K122 WeakPolarHBondContact O-CB 3.47Å; N118-K122 VanDerWaalsContact O-CG 3.23Å; N118-K122 WeakPolarHBondContact O-CG 3.08Å; N118-K122 PolarHBondContact O-N 3.41Å
119Y97.1Very high97.1Very high85 Ų8552.9 Ų52.933%0.33325%0.245SC..Hα-helixtrans-62.7-49.2174.4175.4-93.4000111Y56 P58 L115 L116 L117 F121 K122 N123Y56-Y119 VanDerWaalsContact O-CE1 3.31Å; Y56-Y119 WeakPolarHBondContact O-CE1 3.21Å; Y56-Y119 PolarHBondContact O-OH 2.89Å; P58-Y119 WeakPolarHBondContact CA-OH 3.36Å; L115-Y119 WeakPolarHBondContact O-CB 3.09Å; L115-Y119 PolarHBondContact O-N 2.03Å; L116-Y119 PolarHBondContact O-N 3.34Å; L117-Y119 VanDerWaalsContact C-N 3.28Å; L117-Y119 PolarHBondContact O-N 3.36Å; Y119-F121 PolarHBondContact O-N 3.15Å; Y119-K122 PolarHBondContact O-N 3.49Å; Y119-N123 HydrophobicContact CE1-CB 4.17Å; Y119-N123 WeakPolarHBondContact O-CB 3.49Å; Y119-N123 PolarHBondContact O-N 3.16Å
120T97.1Very high97.1Very high0 Ų052.1 Ų52.10%025%0.247CC..Hα-helixtrans-58.3-51.8-177.6-55.10000111.1I55 Y56 Y88 Y90 L116 L117 K122 N123 V124I55-T120 HydrophobicContact CD1-CG2 3.81Å; I55-T120 HydrophobicContact CG1-CG2 4.34Å; Y56-T120 HydrophobicContact CE1-CG2 4.28Å; Y56-T120 VanDerWaalsContact CE1-OG1 3.28Å; Y56-T120 WeakPolarHBondContact CE1-OG1 3.33Å; Y88-T120 HydrophobicContact CE2-CG2 4.46Å; Y90-T120 HydrophobicContact CD2-CG2 4.11Å; L116-T120 WeakPolarHBondContact O-CB 3.42Å; L116-T120 PolarHBondContact O-N 3.26Å; L116-T120 PolarHBondContact O-OG1 2.87Å; L117-T120 PolarHBondContact O-N 3.1Å; L117-T120 VanDerWaalsContact O-N 3.13Å; T120-K122 VanDerWaalsContact C-N 3.33Å; T120-K122 PolarHBondContact O-N 3.48Å; T120-N123 PolarHBondContact O-N 3.26Å; T120-N123 VanDerWaalsContact O-N 3.15Å; T120-V124 HydrophobicContact CG2-CG2 4.36Å; T120-V124 WeakPolarHBondContact O-CB 3.14Å; T120-V124 WeakPolarHBondContact O-CG2 3.43Å; T120-V124 PolarHBondContact O-N 2.81Å
121F97.7Very high97Very high2 Ų245.7 Ų45.71%0.00922%0.222CC..Hα-helixtrans-61.3-39.7179.3-87.7-93.7000113.1L117 Y119 R125 R135 L137 A163 A164 N167 E169L117-F121 HydrophobicContact CD1-CD2 3.74Å; L117-F121 HydrophobicContact CD1-CE2 3.41Å; L117-F121 VanDerWaalsContact CD1-CE2 3.41Å; L117-F121 HydrophobicContact CG-CD2 4.18Å; L117-F121 HydrophobicContact CG-CE2 4.21Å; L117-F121 WeakPolarHBondContact O-CD2 3.1Å; L117-F121 PolarHBondContact O-N 3Å; Y119-F121 PolarHBondContact O-N 3.15Å; F121-R125 WeakPolarHBondContact O-CB 3.48Å; F121-R125 PolarHBondContact O-N 3.13Å; F121-R125 VanDerWaalsContact O-N 3.1Å; F121-R135 PolarHBondContact O-NH1 2.7Å; F121-L137 HydrophobicContact CZ-CD2 4.16Å; F121-A163 HydrophobicContact CD2-CB 4.33Å; F121-A163 HydrophobicContact CE2-CB 4.02Å; F121-A163 HydrophobicContact CZ-CB 4.23Å; F121-A164 HydrophobicContact CE1-CB 4.44Å; F121-A164 HydrophobicContact CZ-CB 4.27Å; F121-N167 HydrophobicContact CD1-CB 3.51Å; F121-N167 VanDerWaalsContact CD1-CG 3.5Å; F121-N167 WeakPolarHBondContact CD1-ND2 3.22Å; F121-N167 HydrophobicContact CE1-CB 3.97Å; F121-N167 HydrophobicContact CG-CB 4.47Å; F121-E169 HydrophobicContact CD1-CB 4.38Å; F121-E169 HydrophobicContact CD1-CG 4.47Å; F121-E169 HydrophobicContact CE1-CB 3.6Å; F121-E169 HydrophobicContact CE1-CG 3.7Å; F121-E169 HydrophobicContact CZ-CG 4.47Å
122K97Very high96.9Very high145 Ų14543.5 Ų43.563%0.6322%0.215SC*.Hα-helixtrans-65.2-44.9174.2-76176.1-177.8178.30111.2N118 Y119 T120 R125 S126N118-K122 WeakPolarHBondContact O-CB 3.47Å; N118-K122 VanDerWaalsContact O-CG 3.23Å; N118-K122 WeakPolarHBondContact O-CG 3.08Å; N118-K122 PolarHBondContact O-N 3.41Å; Y119-K122 PolarHBondContact O-N 3.49Å; T120-K122 VanDerWaalsContact C-N 3.33Å; T120-K122 PolarHBondContact O-N 3.48Å; K122-R125 VanDerWaalsContact O-CB 3.29Å; K122-R125 WeakPolarHBondContact O-CB 3.37Å; K122-R125 PolarHBondContact O-N 2.87Å; K122-S126 PolarHBondContact O-N 3.32Å; K122-S126 PolarHBondContact O-OG 3.37Å
123N97.2Very high96.9Very high11 Ų1144.8 Ų44.86%0.05923%0.228CC..Hα-helixtrans-67.4-44.5-176.8-160.339.8000111.3I55 F57 Y119 T120 R125 S126 I127I55-N123 PolarHBondContact O-ND2 2.93Å; F57-N123 PolarHBondContact O-ND2 3.16Å; Y119-N123 HydrophobicContact CE1-CB 4.17Å; Y119-N123 WeakPolarHBondContact O-CB 3.49Å; Y119-N123 PolarHBondContact O-N 3.16Å; T120-N123 PolarHBondContact O-N 3.26Å; T120-N123 VanDerWaalsContact O-N 3.15Å; N123-R125 VanDerWaalsContact C-N 3.28Å; N123-R125 PolarHBondContact O-N 3.36Å; N123-S126 CarbonylContact O-C 3.54Å; N123-S126 WeakPolarHBondContact O-CB 3.49Å; N123-S126 PolarHBondContact O-N 3.43Å; N123-I127 WeakPolarHBondContact O-CD1 3.23Å; N123-I127 VanDerWaalsContact O-CG1 3.25Å; N123-I127 WeakPolarHBondContact O-CG1 3.45Å; N123-I127 PolarHBondContact O-N 2.89Å
124V97.8Very high96.9Very high0 Ų045.7 Ų45.70%024%0.241CC..Hα-helixtrans-58.3-40.7173.1171.50000111.2I55 L86 Y88 T120 S126 I127 V128 R135I55-V124 HydrophobicContact CB-CG2 4.31Å; I55-V124 HydrophobicContact CG2-CG2 4.4Å; L86-V124 HydrophobicContact CD2-CG1 4.21Å; Y88-V124 HydrophobicContact CD1-CG1 3.89Å; Y88-V124 HydrophobicContact CD1-CG2 4.32Å; Y88-V124 HydrophobicContact CD2-CG2 3.7Å; Y88-V124 HydrophobicContact CE1-CG1 3.62Å; Y88-V124 HydrophobicContact CE1-CG2 4.42Å; Y88-V124 HydrophobicContact CE2-CB 4.44Å; Y88-V124 HydrophobicContact CE2-CG1 4.34Å; Y88-V124 HydrophobicContact CE2-CG2 3.77Å; Y88-V124 HydrophobicContact CG-CG1 4.37Å; Y88-V124 HydrophobicContact CG-CG2 3.96Å; T120-V124 HydrophobicContact CG2-CG2 4.36Å; T120-V124 WeakPolarHBondContact O-CB 3.14Å; T120-V124 WeakPolarHBondContact O-CG2 3.43Å; T120-V124 PolarHBondContact O-N 2.81Å; V124-S126 VanDerWaalsContact C-N 3.35Å; V124-S126 PolarHBondContact O-N 2.83Å; V124-I127 PolarHBondContact O-N 3.01Å; V124-V128 PolarHBondContact O-N 3.18Å; V124-R135 HydrophobicContact CG1-CB 4.02Å
125R97Very high96.9Very high135 Ų13543.2 Ų43.251%0.50923%0.227SC..Hα-helixtrans-57.7-48.6172.8-164.2176.1173166.7-0.9111.5F121 K122 N123 V128 Q129 R135F121-R125 WeakPolarHBondContact O-CB 3.48Å; F121-R125 PolarHBondContact O-N 3.13Å; F121-R125 VanDerWaalsContact O-N 3.1Å; K122-R125 VanDerWaalsContact O-CB 3.29Å; K122-R125 WeakPolarHBondContact O-CB 3.37Å; K122-R125 PolarHBondContact O-N 2.87Å; N123-R125 VanDerWaalsContact C-N 3.28Å; N123-R125 PolarHBondContact O-N 3.36Å; R125-V128 PolarHBondContact O-N 2.89Å; R125-Q129 WeakPolarHBondContact O-CB 3.29Å; R125-Q129 VanDerWaalsContact O-CG 3.23Å; R125-Q129 WeakPolarHBondContact O-CG 3.23Å; R125-Q129 PolarHBondContact O-N 3.18Å; R125-R135 VanDerWaalsContact CA-NH1 3.25Å
126S97.4Very high97Very high48 Ų4841 Ų4134%0.33621%0.214SC..Hα-helixtrans-64.9-38.6179.8-64.60000112.3K122 N123 V124 Q129 S130K122-S126 PolarHBondContact O-N 3.32Å; K122-S126 PolarHBondContact O-OG 3.37Å; N123-S126 CarbonylContact O-C 3.54Å; N123-S126 WeakPolarHBondContact O-CB 3.49Å; N123-S126 PolarHBondContact O-N 3.43Å; V124-S126 VanDerWaalsContact C-N 3.35Å; V124-S126 PolarHBondContact O-N 2.83Å; S126-Q129 PolarHBondContact O-N 3.44Å; S126-S130 PolarHBondContact O-N 3.43Å
127I97.2Very high97Very high1 Ų139.9 Ų39.91%0.00521%0.208CC..Hα-helixtrans-56.8-55.9173.7-67.1157.2000109.6F59 P64 T66 L86 N123 V124 Q129 S130 T131F59-I127 HydrophobicContact CE2-CG1 3.97Å; F59-I127 HydrophobicContact CZ-CG1 4.21Å; P64-I127 HydrophobicContact CB-CG1 4Å; P64-I127 HydrophobicContact CB-CG2 4.43Å; T66-I127 HydrophobicContact CG2-CD1 3.68Å; T66-I127 HydrophobicContact CG2-CG1 4.35Å; T66-I127 HydrophobicContact CG2-CG2 4.34Å; L86-I127 HydrophobicContact CD2-CB 4.32Å; L86-I127 HydrophobicContact CD2-CG2 3.72Å; N123-I127 WeakPolarHBondContact O-CD1 3.23Å; N123-I127 VanDerWaalsContact O-CG1 3.25Å; N123-I127 WeakPolarHBondContact O-CG1 3.45Å; N123-I127 PolarHBondContact O-N 2.89Å; V124-I127 PolarHBondContact O-N 3.01Å; I127-Q129 VanDerWaalsContact C-N 3.33Å; I127-Q129 PolarHBondContact O-N 2.99Å; I127-S130 WeakPolarHBondContact O-CA 3.48Å; I127-S130 WeakPolarHBondContact O-CB 3.27Å; I127-S130 PolarHBondContact O-N 2.97Å; I127-T131 HydrophobicContact CG2-CG2 4.41Å; I127-T131 PolarHBondContact O-N 2.88Å; I127-T131 PolarHBondContact O-OG1 2.98Å
128V97Very high97Very high18 Ų1840 Ų4011%0.10921%0.209CC..Hα-helixtrans-67.7-31.7-178.1174.20000112.8L86 V124 R125 S130 G132 G133 R135L86-V128 HydrophobicContact CB-CG2 3.92Å; L86-V128 HydrophobicContact CD2-CG2 3.82Å; V124-V128 PolarHBondContact O-N 3.18Å; R125-V128 PolarHBondContact O-N 2.89Å; V128-S130 PolarHBondContact O-N 2.93Å; V128-G132 WeakPolarHBondContact O-CA 3.47Å; V128-G132 PolarHBondContact O-N 3.06Å; V128-G133 WeakPolarHBondContact CG1-O 3.36Å; V128-R135 HydrophobicContact CG2-CB 3.95Å
129Q96.1Very high96.9Very high130 Ų13038.9 Ų38.961%0.60720%0.202SC*.Hα-helixtrans-61-34.4170.5-77.9172.9-22.600112.3R125 S126 I127R125-Q129 WeakPolarHBondContact O-CB 3.29Å; R125-Q129 VanDerWaalsContact O-CG 3.23Å; R125-Q129 WeakPolarHBondContact O-CG 3.23Å; R125-Q129 PolarHBondContact O-N 3.18Å; S126-Q129 PolarHBondContact O-N 3.44Å; I127-Q129 VanDerWaalsContact C-N 3.33Å; I127-Q129 PolarHBondContact O-N 2.99Å
130S96.1Very high96.8Very high56 Ų5634.9 Ų34.939%0.39219%0.186SC..Hα-helixtrans-79.3-47178.1178.70000112.4S126 I127 V128S126-S130 PolarHBondContact O-N 3.43Å; I127-S130 WeakPolarHBondContact O-CA 3.48Å; I127-S130 WeakPolarHBondContact O-CB 3.27Å; I127-S130 PolarHBondContact O-N 2.97Å; V128-S130 PolarHBondContact O-N 2.93Å
131T96.2Very high96.4Very high0 Ų035 Ų350%019%0.187CC..Hα-helixtrans-82.9-27.8-174.558.70000113.3M68 R81 I127M68-T131 WeakPolarHBondContact O-CG2 3.47Å; R81-T131 PolarHBondContact NE-O 2.88Å; R81-T131 VanDerWaalsContact NE-O 3.15Å; I127-T131 HydrophobicContact CG2-CG2 4.41Å; I127-T131 PolarHBondContact O-N 2.88Å; I127-T131 PolarHBondContact O-OG1 2.98Å
132G96.1Very high95.8Very high19 Ų1939.5 Ų39.520%0.19621%0.211CC..  trans78178.1-159.200000111.8V71 V128V71-G132 WeakPolarHBondContact CG1-O 3.3Å; V128-G132 WeakPolarHBondContact O-CA 3.47Å; V128-G132 PolarHBondContact O-N 3.06Å
133G96.6Very high95.5Very high27 Ų2732.7 Ų32.728%0.27818%0.182SC..SBendtrans104.6-179.2-176.100000113.9R81 S84 V128R81-G133 VanDerWaalsContact O-CA 3.26Å; R81-G133 WeakPolarHBondContact O-CA 3.27Å; S84-G133 CarbonylContact O-C 3.12Å; S84-G133 VanDerWaalsContact O-CA 3.25Å; S84-G133 WeakPolarHBondContact O-CA 3.48Å; V128-G133 WeakPolarHBondContact CG1-O 3.36Å
134G97Very high95.1Very high32 Ų3234.6 Ų34.633%0.3319%0.191SC..EExtended strand (participates in β ladder)trans-91.6179.3160.800000111.6S84 V85 L86S84-G134 PolarHBondContact O-N 3.41Å; V85-G134 WeakPolarHBondContact CA-O 3.25Å; L86-G134 PolarHBondContact N-O 3.46Å
135R97.2Very high94.8Very high48 Ų4834.8 Ų34.818%0.18119%0.193CC..EExtended strand (participates in β ladder)trans-136.8150.3171.349.2-178.7-174.316913109.4L86 Y88 F121 V124 R125 V128 N167 E169L86-R135 CarbonylContact O-C 3.44Å; L86-R135 WeakPolarHBondContact O-CA 3.36Å; Y88-R135 HydrophobicContact CE1-CB 4.32Å; F121-R135 PolarHBondContact O-NH1 2.7Å; V124-R135 HydrophobicContact CG1-CB 4.02Å; R125-R135 VanDerWaalsContact CA-NH1 3.25Å; V128-R135 HydrophobicContact CG2-CB 3.95Å; R135-N167 PolarHBondContact NH2-O 2.9Å; R135-E169 WeakPolarHBondContact CB-OE1 3.4Å; R135-E169 WeakPolarHBondContact CD-OE2 3.2Å; R135-E169 VanDerWaalsContact CG-OE1 3.29Å; R135-E169 WeakPolarHBondContact CG-OE1 3.31Å; R135-E169 WeakPolarHBondContact CG-OE2 3.1Å; R135-E169 IonicContact CZ-OE2 2.67Å; R135-E169 IonicContact NE-OE2 3.45Å; R135-E169 PolarHBondContact NE-OE2 3.35Å; R135-E169 IonicContact NH1-OE2 3.23Å; R135-E169 IonicContact NH2-OE2 2.9Å; R135-E169 PolarHBondContact NH2-OE2 3.13Å
136F98.1Very high94.5Very high39 Ų3931.1 Ų31.117%0.17118%0.183CC..EExtended strand (participates in β ladder)trans-153.7124.6-178.2-158.8-75.3000110.2F47 V85 L86 Y88 T138 E169 T172F47-F136 HydrophobicContact CD1-CB 4.26Å; F47-F136 HydrophobicContact CD1-CG 4.46Å; F47-F136 HydrophobicContact CE1-CB 3.71Å; F47-F136 HydrophobicContact CE1-CD1 4.01Å; F47-F136 AromaticContact CE1-CD2 3.77Å; F47-F136 HydrophobicContact CE1-CD2 3.77Å; F47-F136 HydrophobicContact CE1-CE2 4.37Å; F47-F136 AromaticContact CE1-CG 3.57Å; F47-F136 HydrophobicContact CE1-CG 3.57Å; F47-F136 HydrophobicContact CZ-CD2 4.12Å; F47-F136 HydrophobicContact CZ-CG 4.37Å; V85-F136 HydrophobicContact CG1-CB 3.57Å; L86-F136 PolarHBondContact O-N 3.28Å; Y88-F136 VanDerWaalsContact CD1-O 3.28Å; Y88-F136 WeakPolarHBondContact CD1-O 3.48Å; Y88-F136 VanDerWaalsContact CE1-C 3.48Å; Y88-F136 WeakPolarHBondContact CE1-O 3.32Å; Y88-F136 PolarHBondContact N-O 3.18Å; F136-T138 HydrophobicContact CD1-CG2 3.63Å; F136-T138 HydrophobicContact CE1-CG2 4.28Å; F136-T138 PolarHBondContact O-N 3.01Å; F136-E169 PolarHBondContact N-OE1 3.05Å; F136-T172 HydrophobicContact CE1-CG2 3.57Å; F136-T172 HydrophobicContact CZ-CG2 3.76Å
137L97.9Very high94.2Very high0 Ų031.1 Ų31.10%019%0.191CC..EExtended strand (participates in β ladder)trans-79.893.5176.5179.266.7000109.3Y88 F121 E139 F140 V160 E169 S170 W171 T172Y88-L137 HydrophobicContact CD2-CD1 3.9Å; Y88-L137 HydrophobicContact CE1-CB 4.19Å; Y88-L137 HydrophobicContact CE2-CB 4.33Å; Y88-L137 HydrophobicContact CE2-CD1 3.5Å; Y88-L137 HydrophobicContact CE2-CG 4.49Å; F121-L137 HydrophobicContact CZ-CD2 4.16Å; L137-E139 WeakPolarHBondContact CD1-O 3.5Å; L137-F140 HydrophobicContact CD1-CB 4.18Å; L137-F140 HydrophobicContact CD2-CB 3.94Å; L137-F140 HydrophobicContact CD2-CD1 3.74Å; L137-F140 HydrophobicContact CD2-CG 3.98Å; L137-F140 HydrophobicContact CG-CB 4.14Å; L137-F140 HydrophobicContact CG-CD1 3.91Å; L137-F140 HydrophobicContact CG-CG 4.39Å; L137-V160 HydrophobicContact CD2-CG1 3.89Å; L137-E169 HydrophobicContact CB-CG 4.16Å; L137-S170 PolarHBondContact N-O 3.47Å; L137-W171 HydrophobicContact CB-CB 4Å; L137-W171 HydrophobicContact CD2-CB 4.24Å; L137-W171 HydrophobicContact CG-CB 4.38Å; L137-W171 CarbonylContact O-C 3.42Å; L137-W171 WeakPolarHBondContact O-CA 3.38Å; L137-T172 PolarHBondContact O-N 3.32Å
138T96.5Very high94Very high3 Ų334.1 Ų34.12%0.01821%0.207CC..EExtended strand (participates in β ladder)trans-81.6-29.2-170.6420000114.1M1 F47 S87 Y88 H89 F136 T172M1-T138 HydrophobicContact CE-CG2 3.87Å; M1-T138 HydrophobicContact SD-CG2 3.79Å; F47-T138 HydrophobicContact CD1-CG2 4.24Å; S87-T138 WeakPolarHBondContact OG-CG2 3.48Å; S87-T138 PolarHBondContact OG-OG1 2.9Å; Y88-T138 PolarHBondContact O-N 3.03Å; Y88-T138 PolarHBondContact O-OG1 2.94Å; H89-T138 PolarHBondContact CD2-OG1 2.81Å; H89-T138 PolarHBondContact NE2-OG1 2.95Å; F136-T138 HydrophobicContact CD1-CG2 3.63Å; F136-T138 HydrophobicContact CE1-CG2 4.28Å; F136-T138 PolarHBondContact O-N 3.01Å; T138-T172 CarbonylContact C-O 3.51Å; T138-T172 WeakPolarHBondContact CA-OG1 3.27Å; T138-T172 PolarHBondContact O-OG1 3.12Å
139E95.2Very high93.9Very high18 Ų1837.7 Ų37.78%0.08423%0.23CC..EExtended strand (participates in β ladder)trans-138.3141.2175.7-55.8-178.3-170.400109N3 H89 Y90 Y91 L137 W174N3-E139 PolarHBondContact ND2-OE1 2.85Å; N3-E139 PolarHBondContact OD1-OE1 3.38Å; H89-E139 CarbonylContact C-O 3.56Å; H89-E139 WeakPolarHBondContact CA-O 3.29Å; H89-E139 HydrophobicContact CB-CB 4.08Å; H89-E139 VanDerWaalsContact CD2-CB 3.45Å; H89-E139 WeakPolarHBondContact CD2-CB 3.14Å; H89-E139 IonicContact CE1-OE1 3.38Å; H89-E139 PolarHBondContact CE1-OE1 2.77Å; H89-E139 IonicContact CE1-OE2 2.77Å; H89-E139 PolarHBondContact CE1-OE2 3.37Å; H89-E139 IonicContact CG-OE2 3.21Å; H89-E139 IonicContact ND1-OE2 3.58Å; H89-E139 PolarHBondContact ND1-OE2 2.9Å; H89-E139 WeakPolarHBondContact NE2-CG 3.16Å; H89-E139 IonicContact NE2-OE1 3.04Å; Y90-E139 PolarHBondContact N-O 3.46Å; Y91-E139 PolarHBondContact OH-OE2 2.74Å; Y91-E139 VanDerWaalsContact OH-OE2 3.1Å; L137-E139 WeakPolarHBondContact CD1-O 3.5Å; E139-W174 HydrophobicContact CB-CG 4.21Å; E139-W174 HydrophobicContact CG-CB 4.1Å; E139-W174 HydrophobicContact CG-CG 3.91Å
140F95Very high93.9Very high0 Ų037 Ų370%023%0.227CC..EExtended strand (participates in β ladder)trans-154.6142.3171.259.5-85.2000110.7Y90 L137 V160 L161 W171 T172 Y173 F193Y90-F140 CarbonylContact O-C 3.59Å; Y90-F140 WeakPolarHBondContact O-CA 3.32Å; L137-F140 HydrophobicContact CD1-CB 4.18Å; L137-F140 HydrophobicContact CD2-CB 3.94Å; L137-F140 HydrophobicContact CD2-CD1 3.74Å; L137-F140 HydrophobicContact CD2-CG 3.98Å; L137-F140 HydrophobicContact CG-CB 4.14Å; L137-F140 HydrophobicContact CG-CD1 3.91Å; L137-F140 HydrophobicContact CG-CG 4.39Å; F140-V160 HydrophobicContact CB-CG1 3.9Å; F140-V160 HydrophobicContact CD2-CB 4.11Å; F140-V160 HydrophobicContact CD2-CG1 3.58Å; F140-V160 HydrophobicContact CE2-CG1 4.29Å; F140-V160 HydrophobicContact CG-CG1 3.77Å; F140-L161 HydrophobicContact CE1-CD2 4.42Å; F140-L161 HydrophobicContact CE2-CD2 4.01Å; F140-L161 HydrophobicContact CE2-CG 4.26Å; F140-L161 HydrophobicContact CZ-CD2 3.66Å; F140-L161 HydrophobicContact CZ-CG 4.37Å; F140-W171 HydrophobicContact CE1-CB 4.09Å; F140-W171 HydrophobicContact CE1-CD2 4.13Å; F140-W171 AromaticContact CE1-CE3 3.64Å; F140-W171 HydrophobicContact CE1-CE3 3.64Å; F140-W171 HydrophobicContact CE1-CG 4.34Å; F140-W171 HydrophobicContact CE1-CZ3 4.43Å; F140-W171 HydrophobicContact CZ-CD2 4.33Å; F140-W171 AromaticContact CZ-CE3 3.8Å; F140-W171 HydrophobicContact CZ-CE3 3.8Å; F140-W171 HydrophobicContact CZ-CZ3 4.21Å; F140-T172 VanDerWaalsContact CE1-O 3.27Å; F140-T172 WeakPolarHBondContact CE1-O 3.29Å; F140-Y173 HydrophobicContact CE1-CD2 4.23Å; F140-Y173 AromaticContact CE2-CD2 3.94Å; F140-Y173 HydrophobicContact CE2-CD2 3.94Å; F140-Y173 HydrophobicContact CE2-CE2 4.47Å; F140-Y173 AromaticContact CZ-CD2 3.74Å; F140-Y173 HydrophobicContact CZ-CD2 3.74Å; F140-Y173 HydrophobicContact CZ-CG 4.39Å; F140-F193 HydrophobicContact CE2-CE1 4.24Å; F140-F193 HydrophobicContact CZ-CE1 4.15Å
141S87.5Confident93.9Very high3 Ų334.4 Ų34.42%0.02121%0.209CC..  trans54.6169.8171.9-52.50000113.5Y90 Y91 C143 E156 V160Y90-S141 PolarHBondContact O-N 2.94Å; Y91-S141 VanDerWaalsContact CE1-O 3.27Å; Y91-S141 WeakPolarHBondContact CE1-O 3.31Å; S141-C143 WeakPolarHBondContact CB-SG 3.38Å; S141-E156 WeakPolarHBondContact OG-CG 3.42Å; S141-E156 PolarHBondContact OG-OE1 2.88Å; S141-V160 WeakPolarHBondContact OG-CG2 3.38Å
142L86.1Confident93.9Very high97 Ų9734.7 Ų34.751%0.50821%0.21SC..SBendtrans-12051.2167.2-69.2175.4000107.3Y91 W174Y91-L142 HydrophobicContact CD1-CG 4.46Å; Y91-L142 HydrophobicContact CE1-CD2 4.31Å; Y91-L142 HydrophobicContact CE1-CG 4.11Å; L142-W174 HydrophobicContact CD2-CH2 4.21Å; L142-W174 HydrophobicContact CD2-CZ2 3.5Å; L142-W174 VanDerWaalsContact CD2-CZ2 3.5Å
143C89.9Confident93.8Very high2 Ų234.6 Ų34.61%0.01421%0.205CC..  trans-112.8136.1-17065.60000110S141 N153 E156 C157 Y173S141-C143 WeakPolarHBondContact CB-SG 3.38Å; C143-N153 WeakPolarHBondContact CB-O 3.46Å; C143-E156 HydrophobicContact CB-CB 4.31Å; C143-E156 HydrophobicContact CB-CG 4.29Å; C143-C157 HydrophobicContact CB-CB 3.99Å; C143-C157 WeakPolarHBondContact CB-SG 3.49Å; C143-C157 PolarHBondContact O-SG 3Å; C143-C157 WeakPolarHBondContact SG-CA 3.15Å; C143-C157 WeakPolarHBondContact SG-CB 3.04Å; C143-C157 PolarHBondContact SG-N 3.48Å; C143-C157 VanDerWaalsContact SG-N 3.39Å; C143-C157 CovalentContact SG-SG 2.03Å; C143-C157 PolarHBondContact SG-SG 3.49Å; C143-Y173 PolarHBondContact O-OH 3.49Å
144L90.2Very high93.8Very high50 Ų5033.9 Ų33.926%0.26220%0.196SC..  trans-133.8108172.8-17470.7000107.9D146 N153 L179 F193L144-D146 PolarHBondContact O-N 2.81Å; L144-N153 PolarHBondContact N-OD1 2.96Å; L144-N153 WeakPolarHBondContact O-CB 3.45Å; L144-N153 PolarHBondContact O-ND2 3.28Å; L144-N153 PolarHBondContact O-OD1 3.22Å; L144-L179 HydrophobicContact CD1-CD1 3.84Å; L144-L179 HydrophobicContact CD1-CD2 3.86Å; L144-L179 HydrophobicContact CD1-CG 3.94Å; L144-F193 HydrophobicContact CD1-CE2 4.33Å
145P91Very high93.7Very high4 Ų433.3 Ų33.33%0.02619%0.186CC..  trans-56.3126.5-175.7-20.228.8000111C157 S189 S192 F193P145-C157 HydrophobicContact CG-CB 4.02Å; P145-S189 WeakPolarHBondContact O-CA 3.5Å; P145-S189 WeakPolarHBondContact O-CB 3.19Å; P145-S189 PolarHBondContact O-OG 2.73Å; P145-S192 VanDerWaalsContact CG-OG 3.29Å; P145-S192 WeakPolarHBondContact CG-OG 3.32Å; P145-F193 HydrophobicContact CG-CE2 4.42Å
146D90.7Very high93.7Very high59 Ų5931.3 Ų31.332%0.31618%0.178SC..  trans-109.69.2-169.554.615.6000112.8L144 N148 S151 N153 T154L144-D146 PolarHBondContact O-N 2.81Å; D146-N148 VanDerWaalsContact C-N 3.25Å; D146-N148 PolarHBondContact O-N 3.13Å; D146-N148 WeakPolarHBondContact OD1-CB 3.27Å; D146-N148 PolarHBondContact OD1-N 3.31Å; D146-N148 VanDerWaalsContact OD1-N 3.1Å; D146-S151 VanDerWaalsContact CG-OG 3.3Å; D146-S151 PolarHBondContact OD1-OG 2.89Å; D146-S151 WeakPolarHBondContact OD2-CB 3.19Å; D146-S151 PolarHBondContact OD2-OG 2.64Å; D146-N153 PolarHBondContact OD2-ND2 2.83Å; D146-N153 VanDerWaalsContact OD2-ND2 3.14Å; D146-T154 PolarHBondContact N-OG1 3.47Å; D146-T154 PolarHBondContact OD1-OG1 3.41Å
147G89.8Confident93.5Very high47 Ų4729.4 Ų29.449%0.48517%0.17SC..SBendtrans82.7-6.2-177.500000114.4P149G147-P149 WeakPolarHBondContact O-CD 3.24Å
148N94.8Very high93.5Very high65 Ų6530.5 Ų30.535%0.34818%0.176SC..  trans-89.3113.5168179.13.7000109.6D146 E150 S151 T154D146-N148 VanDerWaalsContact C-N 3.25Å; D146-N148 PolarHBondContact O-N 3.13Å; D146-N148 WeakPolarHBondContact OD1-CB 3.27Å; D146-N148 PolarHBondContact OD1-N 3.31Å; D146-N148 VanDerWaalsContact OD1-N 3.1Å; N148-E150 PolarHBondContact O-N 2.97Å; N148-E150 VanDerWaalsContact O-N 3.15Å; N148-E150 PolarHBondContact OD1-N 2.96Å; N148-S151 PolarHBondContact O-N 3.14Å; N148-S151 PolarHBondContact O-OG 3.24Å; N148-T154 WeakPolarHBondContact O-CB 3.41Å; N148-T154 PolarHBondContact O-OG1 3.38Å
149P94.6Very high93.5Very high93 Ų9330.9 Ų30.960%0.60418%0.179SC*.THydrogen-bonded Turntrans-66.8-15.3-178.128.2-35.3000113.9G147 V155G147-P149 WeakPolarHBondContact O-CD 3.24Å; P149-V155 VanDerWaalsContact O-CG2 3.31Å; P149-V155 WeakPolarHBondContact O-CG2 3.37Å
150E96.1Very high93.6Very high116 Ų11630 Ų3054%0.54218%0.175SC..THydrogen-bonded Turntrans-101.1-6.7-178.3-58.6-177.7168.500113.1H103 M104 N148H103-E150 CarbonylContact C-O 3.5Å; H103-E150 WeakPolarHBondContact CA-O 3.42Å; H103-E150 IonicContact CD2-OE2 2.65Å; M104-E150 PolarHBondContact N-O 3.17Å; N148-E150 PolarHBondContact O-N 2.97Å; N148-E150 VanDerWaalsContact O-N 3.15Å; N148-E150 PolarHBondContact OD1-N 2.96Å
151S96.4Very high93.7Very high0 Ų030 Ų300%018%0.175CC..BIsolated β-bridgetrans-69150.6179.167.10000111.5E102 D146 N148 N153 T154 V155E102-S151 CarbonylContact O-C 3.49Å; E102-S151 WeakPolarHBondContact O-CA 3.41Å; D146-S151 VanDerWaalsContact CG-OG 3.3Å; D146-S151 PolarHBondContact OD1-OG 2.89Å; D146-S151 WeakPolarHBondContact OD2-CB 3.19Å; D146-S151 PolarHBondContact OD2-OG 2.64Å; N148-S151 PolarHBondContact O-N 3.14Å; N148-S151 PolarHBondContact O-OG 3.24Å; S151-N153 PolarHBondContact O-N 3.1Å; S151-T154 PolarHBondContact O-N 3.45Å; S151-T154 PolarHBondContact OG-N 2.81Å; S151-T154 PolarHBondContact OG-OG1 3.24Å; S151-V155 WeakPolarHBondContact O-CB 3.1Å; S151-V155 VanDerWaalsContact O-CG2 3.27Å; S151-V155 WeakPolarHBondContact O-CG2 3.32Å; S151-V155 PolarHBondContact O-N 3.41Å
152I96.2Very high94.2Very high7 Ų732.2 Ų32.24%0.03619%0.187CC..Hα-helixtrans-53.3-42.4172.3-74166.7000110.6L95 T98 A100 E102 M104 T154 E156L95-I152 HydrophobicContact CB-CG2 4.32Å; L95-I152 HydrophobicContact CD1-CG2 4.14Å; L95-I152 HydrophobicContact CD2-CG2 4.29Å; L95-I152 HydrophobicContact CG-CG2 4.48Å; T98-I152 HydrophobicContact CG2-CD1 3.42Å; T98-I152 VanDerWaalsContact CG2-CD1 3.42Å; A100-I152 HydrophobicContact CB-CG2 4.31Å; A100-I152 CarbonylContact O-C 3.5Å; A100-I152 WeakPolarHBondContact O-CB 3.33Å; A100-I152 PolarHBondContact O-N 3.14Å; E102-I152 WeakPolarHBondContact O-CG1 3.49Å; E102-I152 PolarHBondContact O-N 3.19Å; M104-I152 HydrophobicContact CB-CG1 4.03Å; M104-I152 HydrophobicContact CE-CB 4.14Å; M104-I152 HydrophobicContact CE-CG1 3.89Å; M104-I152 HydrophobicContact CE-CG2 4.05Å; M104-I152 HydrophobicContact SD-CG1 3.88Å; I152-T154 PolarHBondContact O-N 3.2Å; I152-E156 WeakPolarHBondContact O-CB 3.37Å; I152-E156 PolarHBondContact O-N 3.44Å
153N93.9Very high94.8Very high16 Ų1627.6 Ų27.69%0.08616%0.162CC..Hα-helixtrans-48.3-59173.7-94-30.4000112.3A100 C143 L144 D146 S151 C157A100-N153 WeakPolarHBondContact CB-OD1 3.25Å; A100-N153 WeakPolarHBondContact O-CB 3.27Å; A100-N153 PolarHBondContact O-N 2.88Å; A100-N153 PolarHBondContact O-ND2 3.39Å; C143-N153 WeakPolarHBondContact CB-O 3.46Å; L144-N153 PolarHBondContact N-OD1 2.96Å; L144-N153 WeakPolarHBondContact O-CB 3.45Å; L144-N153 PolarHBondContact O-ND2 3.28Å; L144-N153 PolarHBondContact O-OD1 3.22Å; D146-N153 PolarHBondContact OD2-ND2 2.83Å; D146-N153 VanDerWaalsContact OD2-ND2 3.14Å; S151-N153 PolarHBondContact O-N 3.1Å; N153-C157 VanDerWaalsContact O-CB 3.31Å; N153-C157 WeakPolarHBondContact O-CB 3.09Å; N153-C157 PolarHBondContact O-N 2.03Å
154T94.9Very high95.2Very high13 Ų1327.5 Ų27.58%0.0816%0.162CC..Hα-helixtrans-74.3-41.5-174.5-57.40000111.5D146 N148 S151 I152 N158D146-T154 PolarHBondContact N-OG1 3.47Å; D146-T154 PolarHBondContact OD1-OG1 3.41Å; N148-T154 WeakPolarHBondContact O-CB 3.41Å; N148-T154 PolarHBondContact O-OG1 3.38Å; S151-T154 PolarHBondContact O-N 3.45Å; S151-T154 PolarHBondContact OG-N 2.81Å; S151-T154 PolarHBondContact OG-OG1 3.24Å; I152-T154 PolarHBondContact O-N 3.2Å; T154-N158 WeakPolarHBondContact CG2-ND2 3.49Å; T154-N158 VanDerWaalsContact O-CB 3.29Å; T154-N158 WeakPolarHBondContact O-CB 3.21Å; T154-N158 VanDerWaalsContact O-CG 3.26Å; T154-N158 PolarHBondContact O-N 2.92Å; T154-N158 PolarHBondContact O-ND2 3.19Å
155V96.5Very high95.5Very high20 Ų2025.5 Ų25.512%0.12115%0.152CC..Hα-helixtrans-64.8-50.4-176.9174.90000111.4M104 Q109 P149 S151 N158 A159M104-V155 HydrophobicContact CB-CB 4.12Å; M104-V155 HydrophobicContact CB-CG1 4.21Å; M104-V155 HydrophobicContact CB-CG2 4.08Å; M104-V155 HydrophobicContact CE-CB 4.27Å; M104-V155 HydrophobicContact CE-CG1 4.11Å; M104-V155 HydrophobicContact CG-CB 4.32Å; M104-V155 HydrophobicContact CG-CG1 3.91Å; Q109-V155 HydrophobicContact CG-CG1 4.05Å; P149-V155 VanDerWaalsContact O-CG2 3.31Å; P149-V155 WeakPolarHBondContact O-CG2 3.37Å; S151-V155 WeakPolarHBondContact O-CB 3.1Å; S151-V155 VanDerWaalsContact O-CG2 3.27Å; S151-V155 WeakPolarHBondContact O-CG2 3.32Å; S151-V155 PolarHBondContact O-N 3.41Å; V155-N158 PolarHBondContact O-N 3.34Å; V155-A159 VanDerWaalsContact O-CB 3.27Å; V155-A159 WeakPolarHBondContact O-CB 3.39Å; V155-A159 PolarHBondContact O-N 3.27Å
156E96Very high95.8Very high5 Ų531.3 Ų31.32%0.02317%0.173CC..Hα-helixtrans-64.1-47.9-178.9174.170177.100111.3Y90 L95 M104 S141 C143 I152 N158 A159 V160Y90-E156 WeakPolarHBondContact CE1-OE1 3.41Å; L95-E156 HydrophobicContact CD1-CB 3.99Å; L95-E156 HydrophobicContact CD1-CG 3.85Å; L95-E156 WeakPolarHBondContact CD1-OE2 3.27Å; M104-E156 HydrophobicContact CE-CB 4.3Å; S141-E156 WeakPolarHBondContact OG-CG 3.42Å; S141-E156 PolarHBondContact OG-OE1 2.88Å; C143-E156 HydrophobicContact CB-CB 4.31Å; C143-E156 HydrophobicContact CB-CG 4.29Å; I152-E156 WeakPolarHBondContact O-CB 3.37Å; I152-E156 PolarHBondContact O-N 3.44Å; E156-N158 PolarHBondContact O-N 2.95Å; E156-A159 PolarHBondContact O-N 2.95Å; E156-A159 VanDerWaalsContact O-N 3.17Å; E156-V160 WeakPolarHBondContact O-CG2 3.25Å; E156-V160 PolarHBondContact O-N 3.49Å
157C95Very high96.1Very high0 Ų030 Ų300%017%0.166CC..Hα-helixtrans-58.2-47.6178.9-94.90000111.9C143 P145 N153 A159 L161C143-C157 HydrophobicContact CB-CB 3.99Å; C143-C157 WeakPolarHBondContact CB-SG 3.49Å; C143-C157 PolarHBondContact O-SG 3Å; C143-C157 WeakPolarHBondContact SG-CA 3.15Å; C143-C157 WeakPolarHBondContact SG-CB 3.04Å; C143-C157 PolarHBondContact SG-N 3.48Å; C143-C157 VanDerWaalsContact SG-N 3.39Å; C143-C157 CovalentContact SG-SG 2.03Å; C143-C157 PolarHBondContact SG-SG 3.49Å; P145-C157 HydrophobicContact CG-CB 4.02Å; N153-C157 VanDerWaalsContact O-CB 3.31Å; N153-C157 WeakPolarHBondContact O-CB 3.09Å; N153-C157 PolarHBondContact O-N 2.03Å; C157-A159 VanDerWaalsContact C-N 3.34Å; C157-A159 PolarHBondContact O-N 3.33Å; C157-L161 WeakPolarHBondContact O-CB 3.31Å; C157-L161 VanDerWaalsContact O-CG 3.25Å; C157-L161 WeakPolarHBondContact O-CG 3.21Å; C157-L161 PolarHBondContact O-N 3.06Å
158N96.1Very high96.4Very high22 Ų2231.3 Ų31.312%0.11816%0.158CC..Hα-helixtrans-66.2-38.5178.3-72.4-19.5000111.3T154 V155 E156 N162 S192T154-N158 WeakPolarHBondContact CG2-ND2 3.49Å; T154-N158 VanDerWaalsContact O-CB 3.29Å; T154-N158 WeakPolarHBondContact O-CB 3.21Å; T154-N158 VanDerWaalsContact O-CG 3.26Å; T154-N158 PolarHBondContact O-N 2.92Å; T154-N158 PolarHBondContact O-ND2 3.19Å; V155-N158 PolarHBondContact O-N 3.34Å; E156-N158 PolarHBondContact O-N 2.95Å; N158-N162 WeakPolarHBondContact O-CB 3.17Å; N158-N162 PolarHBondContact O-N 3.46Å; N158-N162 PolarHBondContact O-ND2 3.4Å; N158-S192 VanDerWaalsContact OD1-CB 3.3Å; N158-S192 WeakPolarHBondContact OD1-CB 3.27Å; N158-S192 PolarHBondContact OD1-OG 2.82Å
159A97.2Very high96.5Very high11 Ų1128.7 Ų28.79%0.09114%0.144CC..Hα-helixtrans-61.4-48.9178.100000112.1D113 L117 V155 E156 C157 A163D113-A159 VanDerWaalsContact OD1-CB 3.32Å; D113-A159 WeakPolarHBondContact OD1-CB 3.27Å; L117-A159 HydrophobicContact CD2-CB 4.4Å; V155-A159 VanDerWaalsContact O-CB 3.27Å; V155-A159 WeakPolarHBondContact O-CB 3.39Å; V155-A159 PolarHBondContact O-N 3.27Å; E156-A159 PolarHBondContact O-N 2.95Å; E156-A159 VanDerWaalsContact O-N 3.17Å; C157-A159 VanDerWaalsContact C-N 3.34Å; C157-A159 PolarHBondContact O-N 3.33Å; A159-A163 WeakPolarHBondContact O-CB 3.41Å; A159-A163 PolarHBondContact O-N 3.08Å
160V97.8Very high96.6Very high0 Ų027.5 Ų27.50%014%0.138CC..Hα-helixtrans-64-47.7179.1177.40000111.4Y90 L117 L137 F140 S141 E156 N162 A163 A164Y90-V160 HydrophobicContact CD1-CG1 4.38Å; Y90-V160 HydrophobicContact CD1-CG2 3.6Å; Y90-V160 HydrophobicContact CE1-CG2 3.47Å; Y90-V160 VanDerWaalsContact CE1-CG2 3.47Å; L117-V160 HydrophobicContact CD1-CG2 4.07Å; L137-V160 HydrophobicContact CD2-CG1 3.89Å; F140-V160 HydrophobicContact CB-CG1 3.9Å; F140-V160 HydrophobicContact CD2-CB 4.11Å; F140-V160 HydrophobicContact CD2-CG1 3.58Å; F140-V160 HydrophobicContact CE2-CG1 4.29Å; F140-V160 HydrophobicContact CG-CG1 3.77Å; S141-V160 WeakPolarHBondContact OG-CG2 3.38Å; E156-V160 WeakPolarHBondContact O-CG2 3.25Å; E156-V160 PolarHBondContact O-N 3.49Å; V160-N162 PolarHBondContact O-N 3Å; V160-A163 CarbonylContact O-C 3.57Å; V160-A163 WeakPolarHBondContact O-CA 3.32Å; V160-A163 WeakPolarHBondContact O-CB 3.29Å; V160-A163 PolarHBondContact O-N 3.49Å; V160-A163 VanDerWaalsContact O-N 3.08Å; V160-A164 PolarHBondContact O-N 3.04Å
161L97.5Very high96.7Very high0 Ų025 Ų250%012%0.124CC..Hα-helixtrans-68.2-36.6-179-66.7176.9000112.3F140 C157 A163 A164 D165 W171 S192 F193F140-L161 HydrophobicContact CE1-CD2 4.42Å; F140-L161 HydrophobicContact CE2-CD2 4.01Å; F140-L161 HydrophobicContact CE2-CG 4.26Å; F140-L161 HydrophobicContact CZ-CD2 3.66Å; F140-L161 HydrophobicContact CZ-CG 4.37Å; C157-L161 WeakPolarHBondContact O-CB 3.31Å; C157-L161 VanDerWaalsContact O-CG 3.25Å; C157-L161 WeakPolarHBondContact O-CG 3.21Å; C157-L161 PolarHBondContact O-N 3.06Å; L161-A163 VanDerWaalsContact C-N 3.29Å; L161-A163 PolarHBondContact O-N 3.17Å; L161-A164 PolarHBondContact O-N 3.48Å; L161-D165 PolarHBondContact O-N 2.87Å; L161-W171 HydrophobicContact CD2-CD2 3.66Å; L161-W171 HydrophobicContact CD2-CE3 4.11Å; L161-W171 HydrophobicContact CD2-CG 4.15Å; L161-W171 HydrophobicContact CD2-CH2 4.09Å; L161-W171 HydrophobicContact CD2-CZ2 3.62Å; L161-W171 HydrophobicContact CD2-CZ3 4.31Å; L161-S192 WeakPolarHBondContact CD1-O 3.38Å; L161-F193 HydrophobicContact CD1-CD1 3.92Å; L161-F193 HydrophobicContact CD1-CE1 4.3Å
162N97.8Very high96.6Very high49 Ų4928.1 Ų28.126%0.26214%0.142SC..Hα-helixtrans-64.8-35.2171.2-70.2-22.6000111.3N158 V160 R166 R195N158-N162 WeakPolarHBondContact O-CB 3.17Å; N158-N162 PolarHBondContact O-N 3.46Å; N158-N162 PolarHBondContact O-ND2 3.4Å; V160-N162 PolarHBondContact O-N 3Å; N162-R166 VanDerWaalsContact C-NH1 3.32Å; N162-R166 VanDerWaalsContact O-CG 3.29Å; N162-R166 WeakPolarHBondContact O-CG 3.48Å; N162-R166 PolarHBondContact O-N 3.3Å; N162-R166 VanDerWaalsContact O-N 3.11Å; N162-R166 PolarHBondContact O-NH1 2.9Å; N162-R195 PolarHBondContact OD1-NH2 3.14Å
163A97.9Very high96.4Very high0 Ų029.2 Ų29.20%015%0.146CC..Hα-helixtrans-70.2-37.9174.400000112.1L117 F121 A159 V160 L161 R166 N167L117-A163 HydrophobicContact CD1-CB 4.19Å; L117-A163 HydrophobicContact CD2-CB 3.58Å; L117-A163 HydrophobicContact CG-CB 3.83Å; F121-A163 HydrophobicContact CD2-CB 4.33Å; F121-A163 HydrophobicContact CE2-CB 4.02Å; F121-A163 HydrophobicContact CZ-CB 4.23Å; A159-A163 WeakPolarHBondContact O-CB 3.41Å; A159-A163 PolarHBondContact O-N 3.08Å; V160-A163 CarbonylContact O-C 3.57Å; V160-A163 WeakPolarHBondContact O-CA 3.32Å; V160-A163 WeakPolarHBondContact O-CB 3.29Å; V160-A163 PolarHBondContact O-N 3.49Å; V160-A163 VanDerWaalsContact O-N 3.08Å; L161-A163 VanDerWaalsContact C-N 3.29Å; L161-A163 PolarHBondContact O-N 3.17Å; A163-R166 PolarHBondContact O-N 3.36Å; A163-N167 WeakPolarHBondContact O-CB 3.36Å; A163-N167 PolarHBondContact O-N 3.05Å; A163-N167 PolarHBondContact O-ND2 2.93Å
164A98Very high96Very high0 Ų034.1 Ų34.10%016%0.164CC..Hα-helixtrans-59.3-49.2174.100000110.9F121 V160 L161 R166 N167 F168 E169F121-A164 HydrophobicContact CE1-CB 4.44Å; F121-A164 HydrophobicContact CZ-CB 4.27Å; V160-A164 PolarHBondContact O-N 3.04Å; L161-A164 PolarHBondContact O-N 3.48Å; A164-R166 PolarHBondContact O-N 2.82Å; A164-N167 CarbonylContact O-C 3.55Å; A164-N167 PolarHBondContact O-N 3.11Å; A164-N167 VanDerWaalsContact O-N 3.11Å; A164-F168 PolarHBondContact O-N 3.43Å; A164-E169 HydrophobicContact CB-CB 4.1Å; A164-E169 PolarHBondContact O-N 3.01Å
165D97.8Very high95.4Very high9 Ų937 Ų375%0.04818%0.179CC..Hα-helixtrans-55.7-50.7174.5-73.9-8.6000112L161 N167 F168 R195 L208L161-D165 PolarHBondContact O-N 2.87Å; D165-N167 PolarHBondContact O-N 3.18Å; D165-N167 VanDerWaalsContact O-N 3.15Å; D165-F168 PolarHBondContact O-N 2.88Å; D165-F168 VanDerWaalsContact O-N 3.13Å; D165-R195 IonicContact OD1-NE 3.47Å; D165-R195 PolarHBondContact OD1-NE 3.15Å; D165-R195 IonicContact OD2-CZ 3.76Å; D165-R195 IonicContact OD2-NE 3.88Å; D165-R195 PolarHBondContact OD2-NE 2.79Å; D165-R195 IonicContact OD2-NH2 2.77Å; D165-R195 PolarHBondContact OD2-NH2 2.97Å; D165-L208 HydrophobicContact CB-CD2 4.12Å; D165-L208 HydrophobicContact CB-CG 4.03Å
166R97.1Very high94.3Very high126 Ų12636.2 Ų36.248%0.47517%0.174SC..Hα-helixtrans-59.6-27.9179.6-75-170.9-53.3-90.37.8113.3N162 A163 A164N162-R166 VanDerWaalsContact C-NH1 3.32Å; N162-R166 VanDerWaalsContact O-CG 3.29Å; N162-R166 WeakPolarHBondContact O-CG 3.48Å; N162-R166 PolarHBondContact O-N 3.3Å; N162-R166 VanDerWaalsContact O-N 3.11Å; N162-R166 PolarHBondContact O-NH1 2.9Å; A163-R166 PolarHBondContact O-N 3.36Å; A164-R166 PolarHBondContact O-N 2.82Å
167N97.1Very high93Very high31 Ų3145.3 Ų45.317%0.16621%0.21CC..Hα-helixtrans-101.13.2-177.7-74.9-82000113.6F121 R135 A163 A164 D165 E169F121-N167 HydrophobicContact CD1-CB 3.51Å; F121-N167 VanDerWaalsContact CD1-CG 3.5Å; F121-N167 WeakPolarHBondContact CD1-ND2 3.22Å; F121-N167 HydrophobicContact CE1-CB 3.97Å; F121-N167 HydrophobicContact CG-CB 4.47Å; R135-N167 PolarHBondContact NH2-O 2.9Å; A163-N167 WeakPolarHBondContact O-CB 3.36Å; A163-N167 PolarHBondContact O-N 3.05Å; A163-N167 PolarHBondContact O-ND2 2.93Å; A164-N167 CarbonylContact O-C 3.55Å; A164-N167 PolarHBondContact O-N 3.11Å; A164-N167 VanDerWaalsContact O-N 3.11Å; D165-N167 PolarHBondContact O-N 3.18Å; D165-N167 VanDerWaalsContact O-N 3.15Å; N167-E169 HydrophobicContact CB-CB 4.4Å; N167-E169 PolarHBondContact O-N 3.11Å
168F96.3Very high91.7Very high75 Ų7552.6 Ų52.633%0.32924%0.244SC..THydrogen-bonded Turntrans51.942.4-171.4-60.8-77.4000112.2A164 D165 P205 L208 Y219A164-F168 PolarHBondContact O-N 3.43Å; D165-F168 PolarHBondContact O-N 2.88Å; D165-F168 VanDerWaalsContact O-N 3.13Å; F168-P205 HydrophobicContact CD1-CB 3.67Å; F168-P205 HydrophobicContact CD1-CG 4.41Å; F168-P205 HydrophobicContact CD2-CB 4.27Å; F168-P205 HydrophobicContact CE1-CB 3.29Å; F168-P205 HydrophobicContact CE1-CG 4.38Å; F168-P205 HydrophobicContact CE2-CB 3.94Å; F168-P205 HydrophobicContact CG-CB 4.13Å; F168-P205 HydrophobicContact CZ-CB 3.42Å; F168-P205 VanDerWaalsContact CZ-CB 3.42Å; F168-L208 HydrophobicContact CD1-CB 4.1Å; F168-L208 HydrophobicContact CD1-CD2 4.09Å; F168-L208 HydrophobicContact CE1-CB 3.41Å; F168-L208 VanDerWaalsContact CE1-CB 3.41Å; F168-L208 HydrophobicContact CE1-CD2 4.17Å; F168-L208 HydrophobicContact CE1-CG 4.42Å; F168-L208 HydrophobicContact CZ-CB 3.89Å; F168-Y219 HydrophobicContact CE1-CD2 4.44Å; F168-Y219 AromaticContact CE1-CE2 3.94Å; F168-Y219 HydrophobicContact CE1-CE2 3.94Å
169E97.1Very high90.3Very high10 Ų1051.9 Ų51.95%0.04724%0.24CC..  trans-95.5123.2-176.1-16569.9-161.400110.5Y88 F121 R135 F136 L137 A164 N167Y88-E169 WeakPolarHBondContact CE1-OE1 3.47Å; Y88-E169 WeakPolarHBondContact OH-CG 3.14Å; Y88-E169 PolarHBondContact OH-OE1 3.15Å; F121-E169 HydrophobicContact CD1-CB 4.38Å; F121-E169 HydrophobicContact CD1-CG 4.47Å; F121-E169 HydrophobicContact CE1-CB 3.6Å; F121-E169 HydrophobicContact CE1-CG 3.7Å; F121-E169 HydrophobicContact CZ-CG 4.47Å; R135-E169 WeakPolarHBondContact CB-OE1 3.4Å; R135-E169 WeakPolarHBondContact CD-OE2 3.2Å; R135-E169 VanDerWaalsContact CG-OE1 3.29Å; R135-E169 WeakPolarHBondContact CG-OE1 3.31Å; R135-E169 WeakPolarHBondContact CG-OE2 3.1Å; R135-E169 IonicContact CZ-OE2 2.67Å; R135-E169 IonicContact NE-OE2 3.45Å; R135-E169 PolarHBondContact NE-OE2 3.35Å; R135-E169 IonicContact NH1-OE2 3.23Å; R135-E169 IonicContact NH2-OE2 2.9Å; R135-E169 PolarHBondContact NH2-OE2 3.13Å; F136-E169 PolarHBondContact N-OE1 3.05Å; L137-E169 HydrophobicContact CB-CG 4.16Å; A164-E169 HydrophobicContact CB-CB 4.1Å; A164-E169 PolarHBondContact O-N 3.01Å; N167-E169 HydrophobicContact CB-CB 4.4Å; N167-E169 PolarHBondContact O-N 3.11Å
170S96.7Very high88.9Confident68 Ų6857.6 Ų57.648%0.47626%0.263SS..  trans-74.8145.5168.1-57.50000110.4L137L137-S170 PolarHBondContact N-O 3.47Å
171W96.9Very high87.5Confident64 Ų6461.1 Ų61.124%0.24229%0.288CS..BIsolated β-bridgetrans-143.3158.1-175.858-93.6000112.2L137 F140 L161 F193L137-W171 HydrophobicContact CB-CB 4Å; L137-W171 HydrophobicContact CD2-CB 4.24Å; L137-W171 HydrophobicContact CG-CB 4.38Å; L137-W171 CarbonylContact O-C 3.42Å; L137-W171 WeakPolarHBondContact O-CA 3.38Å; F140-W171 HydrophobicContact CE1-CB 4.09Å; F140-W171 HydrophobicContact CE1-CD2 4.13Å; F140-W171 AromaticContact CE1-CE3 3.64Å; F140-W171 HydrophobicContact CE1-CE3 3.64Å; F140-W171 HydrophobicContact CE1-CG 4.34Å; F140-W171 HydrophobicContact CE1-CZ3 4.43Å; F140-W171 HydrophobicContact CZ-CD2 4.33Å; F140-W171 AromaticContact CZ-CE3 3.8Å; F140-W171 HydrophobicContact CZ-CE3 3.8Å; F140-W171 HydrophobicContact CZ-CZ3 4.21Å; L161-W171 HydrophobicContact CD2-CD2 3.66Å; L161-W171 HydrophobicContact CD2-CE3 4.11Å; L161-W171 HydrophobicContact CD2-CG 4.15Å; L161-W171 HydrophobicContact CD2-CH2 4.09Å; L161-W171 HydrophobicContact CD2-CZ2 3.62Å; L161-W171 HydrophobicContact CD2-CZ3 4.31Å; W171-F193 HydrophobicContact CH2-CB 4Å; W171-F193 HydrophobicContact CH2-CD1 4.02Å; W171-F193 WeakPolarHBondContact CH2-O 3.33Å; W171-F193 HydrophobicContact CZ3-CD1 4.05Å
172T94.3Very high86.1Confident64 Ų6467.5 Ų67.539%0.39332%0.322SS..  trans-129.1148165.745.20000109.1F136 L137 T138 F140F136-T172 HydrophobicContact CE1-CG2 3.57Å; F136-T172 HydrophobicContact CZ-CG2 3.76Å; L137-T172 PolarHBondContact O-N 3.32Å; T138-T172 CarbonylContact C-O 3.51Å; T138-T172 WeakPolarHBondContact CA-OG1 3.27Å; T138-T172 PolarHBondContact O-OG1 3.12Å; F140-T172 VanDerWaalsContact CE1-O 3.27Å; F140-T172 WeakPolarHBondContact CE1-O 3.29Å
173Y91.6Very high84.8Confident30 Ų3070.4 Ų70.412%0.11834%0.337CS..  trans-106.7128.9175-174.8-110000109.3F140 C143 D175 L179 F193F140-Y173 HydrophobicContact CE1-CD2 4.23Å; F140-Y173 AromaticContact CE2-CD2 3.94Å; F140-Y173 HydrophobicContact CE2-CD2 3.94Å; F140-Y173 HydrophobicContact CE2-CE2 4.47Å; F140-Y173 AromaticContact CZ-CD2 3.74Å; F140-Y173 HydrophobicContact CZ-CD2 3.74Å; F140-Y173 HydrophobicContact CZ-CG 4.39Å; C143-Y173 PolarHBondContact O-OH 3.49Å; Y173-D175 HydrophobicContact CE1-CB 4.27Å; Y173-D175 VanDerWaalsContact CE1-O 3.27Å; Y173-D175 WeakPolarHBondContact CE1-O 3.36Å; Y173-D175 HydrophobicContact CE2-CB 4.44Å; Y173-D175 PolarHBondContact OH-O 3.16Å; Y173-L179 HydrophobicContact CD1-CD1 4.39Å; Y173-L179 HydrophobicContact CE1-CD1 4.18Å; Y173-F193 HydrophobicContact CD1-CE1 4.04Å; Y173-F193 HydrophobicContact CD1-CZ 4.02Å; Y173-F193 AromaticContact CD2-CE1 3.63Å; Y173-F193 HydrophobicContact CD2-CE1 3.63Å; Y173-F193 HydrophobicContact CD2-CZ 4.03Å; Y173-F193 HydrophobicContact CE1-CE1 4.3Å; Y173-F193 HydrophobicContact CE1-CE2 4.41Å; Y173-F193 AromaticContact CE1-CZ 3.86Å; Y173-F193 HydrophobicContact CE1-CZ 3.86Å; Y173-F193 AromaticContact CE2-CE1 3.93Å; Y173-F193 HydrophobicContact CE2-CE1 3.93Å; Y173-F193 AromaticContact CE2-CZ 3.87Å; Y173-F193 HydrophobicContact CE2-CZ 3.87Å; Y173-F193 HydrophobicContact CG-CD1 4.28Å; Y173-F193 AromaticContact CG-CE1 3.68Å; Y173-F193 HydrophobicContact CG-CE1 3.68Å; Y173-F193 HydrophobicContact CG-CZ 4.08Å; Y173-F193 AromaticContact CZ-CZ 3.78Å
174W86.5Confident83.9Confident120 Ų12074.1 Ų74.146%0.45536%0.357SS..SBendtrans-99.3-36-170.774.7-78.8000112.5Y91 E139 L142 G176Y91-W174 PolarHBondContact OH-NE1 2.96Å; E139-W174 HydrophobicContact CB-CG 4.21Å; E139-W174 HydrophobicContact CG-CB 4.1Å; E139-W174 HydrophobicContact CG-CG 3.91Å; L142-W174 HydrophobicContact CD2-CH2 4.21Å; L142-W174 HydrophobicContact CD2-CZ2 3.5Å; L142-W174 VanDerWaalsContact CD2-CZ2 3.5Å; W174-G176 PolarHBondContact O-N 3.48Å
175D82.5Confident83Confident73 Ų7378.1 Ų78.139%0.3938%0.381SS..SBendtrans-85.640-173.6-161.725000112.5Y173Y173-D175 HydrophobicContact CE1-CB 4.27Å; Y173-D175 VanDerWaalsContact CE1-O 3.27Å; Y173-D175 WeakPolarHBondContact CE1-O 3.36Å; Y173-D175 HydrophobicContact CE2-CB 4.44Å; Y173-D175 PolarHBondContact OH-O 3.16Å
176G72.7Confident82Confident3 Ų385.6 Ų85.63%0.03142%0.416CS..  trans-107.313.2-169.900000114.8W174 E178 L179 F180W174-G176 PolarHBondContact O-N 3.48Å; G176-E178 PolarHBondContact O-N 3.43Å; G176-E178 VanDerWaalsContact O-N 3.13Å; G176-L179 WeakPolarHBondContact O-CA 3.33Å; G176-L179 WeakPolarHBondContact O-CB 3.47Å; G176-L179 PolarHBondContact O-N 2.65Å; G176-F180 WeakPolarHBondContact O-CD2 3.13Å; G176-F180 PolarHBondContact O-N 3.1Å
177Y69.8Low81.2Confident197 Ų19782.1 Ų82.177%0.77341%0.406SS*.Hα-helixtrans-52.7-41.5-172.3-173.2-96.1000112.4L179 F180 S181Y177-L179 VanDerWaalsContact C-N 3.34Å; Y177-L179 PolarHBondContact O-N 2.68Å; Y177-F180 PolarHBondContact O-N 3.33Å; Y177-S181 PolarHBondContact O-N 3.48Å
178E66.7Low80.6Confident152 Ų15284 Ų8471%0.7142%0.416SS*.Hα-helixtrans-70.4-27.6178.7-58.4-175167.600113.5G176G176-E178 PolarHBondContact O-N 3.43Å; G176-E178 VanDerWaalsContact O-N 3.13Å
179L68.3Low80.1Confident8 Ų880.8 Ų80.84%0.04240%0.403CS..Hα-helixtrans-70-38.9178.2-67.4174.6000111.7L144 Y173 G176 Y177 L183 L190 F193L144-L179 HydrophobicContact CD1-CD1 3.84Å; L144-L179 HydrophobicContact CD1-CD2 3.86Å; L144-L179 HydrophobicContact CD1-CG 3.94Å; Y173-L179 HydrophobicContact CD1-CD1 4.39Å; Y173-L179 HydrophobicContact CE1-CD1 4.18Å; G176-L179 WeakPolarHBondContact O-CA 3.33Å; G176-L179 WeakPolarHBondContact O-CB 3.47Å; G176-L179 PolarHBondContact O-N 2.65Å; Y177-L179 VanDerWaalsContact C-N 3.34Å; Y177-L179 PolarHBondContact O-N 2.68Å; L179-L183 VanDerWaalsContact O-CD2 3.27Å; L179-L183 WeakPolarHBondContact O-CD2 3.43Å; L179-L190 HydrophobicContact CB-CD2 4.4Å; L179-L190 HydrophobicContact CD1-CD2 4.5Å; L179-L190 HydrophobicContact CD2-CD2 4.05Å; L179-F193 HydrophobicContact CD1-CD2 4.12Å; L179-F193 HydrophobicContact CD1-CE2 3.97Å
180F66.1Low79.7Confident131 Ų13181.1 Ų81.158%0.57541%0.405SS*.Hα-helixtrans-89.2-29.8-168.7-65.5-67.3000114.6G176 Y177 N182 L183G176-F180 WeakPolarHBondContact O-CD2 3.13Å; G176-F180 PolarHBondContact O-N 3.1Å; Y177-F180 PolarHBondContact O-N 3.33Å; F180-N182 VanDerWaalsContact C-N 3.25Å; F180-N182 PolarHBondContact O-N 3.5Å; F180-L183 HydrophobicContact CD1-CD1 4.4Å; F180-L183 HydrophobicContact CD1-CD2 4.07Å; F180-L183 HydrophobicContact CD1-CG 4.45Å
181S69.1Low79.4Confident74 Ų7482.2 Ų82.252%0.51740%0.401SS..Hα-helixtrans-64.7-31.2-177.852.30000113Y177Y177-S181 PolarHBondContact O-N 3.48Å
182N67.3Low79.2Confident133 Ų13379.3 Ų79.371%0.71139%0.391SS*.THydrogen-bonded Turntrans-13764.6178.4-68.4-42.4000109.8F180 N184F180-N182 VanDerWaalsContact C-N 3.25Å; F180-N182 PolarHBondContact O-N 3.5Å; N182-N184 PolarHBondContact O-N 3.36Å
183L70.6Confident79.1Confident111 Ų11177.4 Ų77.458%0.58138%0.377SS*.  trans-55100.2177.8-78.4168.9000110.6L179 F180 L190L179-L183 VanDerWaalsContact O-CD2 3.27Å; L179-L183 WeakPolarHBondContact O-CD2 3.43Å; F180-L183 HydrophobicContact CD1-CD1 4.4Å; F180-L183 HydrophobicContact CD1-CD2 4.07Å; F180-L183 HydrophobicContact CD1-CG 4.45Å; L183-L190 HydrophobicContact CD2-CD1 4.32Å; L183-L190 HydrophobicContact CD2-CD2 4.31Å
184N79.3Confident79.2Confident78 Ų7877.1 Ų77.142%0.41738%0.379SS..  trans-102.2116.7168.8-178.53.6000107.9N182 E186 N187 L190N182-N184 PolarHBondContact O-N 3.36Å; N184-E186 PolarHBondContact O-N 3.44Å; N184-E186 VanDerWaalsContact O-N 3.15Å; N184-E186 WeakPolarHBondContact OD1-CB 3.33Å; N184-E186 PolarHBondContact OD1-N 3.22Å; N184-N187 HydrophobicContact CB-CB 4.37Å; N184-N187 WeakPolarHBondContact O-CB 3.29Å; N184-N187 PolarHBondContact O-N 3.35Å; N184-L190 WeakPolarHBondContact O-CD1 3.29Å
185V78.9Confident79.6Confident83 Ų8371.7 Ų71.750%0.50336%0.359SS..THydrogen-bonded Turntrans-61.2-21.1177-65.70000113N187V185-N187 VanDerWaalsContact C-N 3.27Å
186E76.8Confident80.4Confident167 Ų16768.4 Ų68.478%0.7834%0.341SS*.THydrogen-bonded Turntrans-80.2-7.3173.9-56.3-178.4162.400112.9N184 I188N184-E186 PolarHBondContact O-N 3.44Å; N184-E186 VanDerWaalsContact O-N 3.15Å; N184-E186 WeakPolarHBondContact OD1-CB 3.33Å; N184-E186 PolarHBondContact OD1-N 3.22Å; E186-I188 PolarHBondContact O-N 2.82Å; E186-I188 VanDerWaalsContact O-N 3.14Å
187N81.6Confident81.5Confident52 Ų5273 Ų7328%0.27836%0.358SS..  trans-65.5116.2178.3-173.4-13.1000110N184 V185 S189 L190N184-N187 HydrophobicContact CB-CB 4.37Å; N184-N187 WeakPolarHBondContact O-CB 3.29Å; N184-N187 PolarHBondContact O-N 3.35Å; V185-N187 VanDerWaalsContact C-N 3.27Å; N187-S189 PolarHBondContact O-N 3.27Å; N187-S189 VanDerWaalsContact O-N 3.16Å; N187-S189 WeakPolarHBondContact OD1-CB 3.1Å; N187-S189 PolarHBondContact OD1-N 3.15Å; N187-S189 PolarHBondContact OD1-OG 2.67Å; N187-L190 HydrophobicContact CB-CD1 4.29Å; N187-L190 HydrophobicContact CB-CG 4.22Å; N187-L190 WeakPolarHBondContact O-CB 3.3Å; N187-L190 PolarHBondContact O-N 3.04Å
188I83.3Confident82.8Confident70 Ų7064.8 Ų64.836%0.35933%0.329SS..THydrogen-bonded Turntrans-56.4-32.8-179.4-166.766.4000112.5E186 L190 K191E186-I188 PolarHBondContact O-N 2.82Å; E186-I188 VanDerWaalsContact O-N 3.14Å; I188-L190 PolarHBondContact O-N 2.9Å; I188-K191 HydrophobicContact CD1-CD 3.7Å; I188-K191 HydrophobicContact CD1-CG 4.33Å; I188-K191 WeakPolarHBondContact O-CB 3.36Å; I188-K191 PolarHBondContact O-N 2.69Å; I188-K191 VanDerWaalsContact O-N 3.11Å
189S85.5Confident84.2Confident9 Ų962.2 Ų62.26%0.06332%0.317CS..THydrogen-bonded Turntrans-60.9-30.2179.4-51.20000112.5P145 N187 K191 F193P145-S189 WeakPolarHBondContact O-CA 3.5Å; P145-S189 WeakPolarHBondContact O-CB 3.19Å; P145-S189 PolarHBondContact O-OG 2.73Å; N187-S189 PolarHBondContact O-N 3.27Å; N187-S189 VanDerWaalsContact O-N 3.16Å; N187-S189 WeakPolarHBondContact OD1-CB 3.1Å; N187-S189 PolarHBondContact OD1-N 3.15Å; N187-S189 PolarHBondContact OD1-OG 2.67Å; S189-K191 VanDerWaalsContact C-N 3.26Å; S189-K191 PolarHBondContact O-N 3.35Å; S189-F193 WeakPolarHBondContact O-CD2 3.19Å; S189-F193 WeakPolarHBondContact O-CE2 3.07Å
190L88.5Confident85.4Confident17 Ų1764.2 Ų64.29%0.08933%0.332CS..Hα-helixtrans-70.9-19.4179.7-66.3179.2000113.4L179 L183 N184 N187 I188 S192 F193 S194 I246L179-L190 HydrophobicContact CB-CD2 4.4Å; L179-L190 HydrophobicContact CD1-CD2 4.5Å; L179-L190 HydrophobicContact CD2-CD2 4.05Å; L183-L190 HydrophobicContact CD2-CD1 4.32Å; L183-L190 HydrophobicContact CD2-CD2 4.31Å; N184-L190 WeakPolarHBondContact O-CD1 3.29Å; N187-L190 HydrophobicContact CB-CD1 4.29Å; N187-L190 HydrophobicContact CB-CG 4.22Å; N187-L190 WeakPolarHBondContact O-CB 3.3Å; N187-L190 PolarHBondContact O-N 3.04Å; I188-L190 PolarHBondContact O-N 2.9Å; L190-S192 PolarHBondContact O-N 2.85Å; L190-F193 PolarHBondContact O-N 2.85Å; L190-S194 WeakPolarHBondContact O-CB 3.48Å; L190-S194 PolarHBondContact O-N 3.45Å; L190-S194 PolarHBondContact O-OG 2.96Å; L190-I246 HydrophobicContact CB-CD1 4.28Å
191K91Very high86.7Confident90 Ų9059.7 Ų59.739%0.39132%0.315SS..Hα-helixtrans-61.2-45.3-175.9-71.8-163.7-178.9178.10112.1I188 S189 F193 S194 V212 I246 H247I188-K191 HydrophobicContact CD1-CD 3.7Å; I188-K191 HydrophobicContact CD1-CG 4.33Å; I188-K191 WeakPolarHBondContact O-CB 3.36Å; I188-K191 PolarHBondContact O-N 2.69Å; I188-K191 VanDerWaalsContact O-N 3.11Å; S189-K191 VanDerWaalsContact C-N 3.26Å; S189-K191 PolarHBondContact O-N 3.35Å; K191-F193 PolarHBondContact O-N 3.44Å; K191-S194 PolarHBondContact O-N 3.01Å; K191-V212 HydrophobicContact CB-CG2 4.02Å; K191-V212 WeakPolarHBondContact O-CG2 3.31Å; K191-I246 HydrophobicContact CG-CG2 4.01Å; K191-H247 PolarHBondContact O-CE1 2.9Å; K191-H247 PolarHBondContact O-NE2 2.9Å
192S92.5Very high87.7Confident4 Ų456.9 Ų56.93%0.02830%0.296CS..Hα-helixtrans-64.8-40.4-179-60.70000112.2P145 N158 L161 L190 R195P145-S192 VanDerWaalsContact CG-OG 3.29Å; P145-S192 WeakPolarHBondContact CG-OG 3.32Å; N158-S192 VanDerWaalsContact OD1-CB 3.3Å; N158-S192 WeakPolarHBondContact OD1-CB 3.27Å; N158-S192 PolarHBondContact OD1-OG 2.82Å; L161-S192 WeakPolarHBondContact CD1-O 3.38Å; L190-S192 PolarHBondContact O-N 2.85Å; S192-R195 WeakPolarHBondContact O-CD 3.39Å; S192-R195 WeakPolarHBondContact O-CG 3.45Å; S192-R195 PolarHBondContact O-NH1 3.15Å
193F92.5Very high88.9Confident24 Ų2451.5 Ų51.511%0.10527%0.272CS..Hα-helixtrans-79.1-28-178.4-57.7-67.6000113.3F140 L144 P145 L161 W171 Y173 L179 S189 L190 K191 R195F140-F193 HydrophobicContact CE2-CE1 4.24Å; F140-F193 HydrophobicContact CZ-CE1 4.15Å; L144-F193 HydrophobicContact CD1-CE2 4.33Å; P145-F193 HydrophobicContact CG-CE2 4.42Å; L161-F193 HydrophobicContact CD1-CD1 3.92Å; L161-F193 HydrophobicContact CD1-CE1 4.3Å; W171-F193 HydrophobicContact CH2-CB 4Å; W171-F193 HydrophobicContact CH2-CD1 4.02Å; W171-F193 WeakPolarHBondContact CH2-O 3.33Å; W171-F193 HydrophobicContact CZ3-CD1 4.05Å; Y173-F193 HydrophobicContact CD1-CE1 4.04Å; Y173-F193 HydrophobicContact CD1-CZ 4.02Å; Y173-F193 AromaticContact CD2-CE1 3.63Å; Y173-F193 HydrophobicContact CD2-CE1 3.63Å; Y173-F193 HydrophobicContact CD2-CZ 4.03Å; Y173-F193 HydrophobicContact CE1-CE1 4.3Å; Y173-F193 HydrophobicContact CE1-CE2 4.41Å; Y173-F193 AromaticContact CE1-CZ 3.86Å; Y173-F193 HydrophobicContact CE1-CZ 3.86Å; Y173-F193 AromaticContact CE2-CE1 3.93Å; Y173-F193 HydrophobicContact CE2-CE1 3.93Å; Y173-F193 AromaticContact CE2-CZ 3.87Å; Y173-F193 HydrophobicContact CE2-CZ 3.87Å; Y173-F193 HydrophobicContact CG-CD1 4.28Å; Y173-F193 AromaticContact CG-CE1 3.68Å; Y173-F193 HydrophobicContact CG-CE1 3.68Å; Y173-F193 HydrophobicContact CG-CZ 4.08Å; Y173-F193 AromaticContact CZ-CZ 3.78Å; L179-F193 HydrophobicContact CD1-CD2 4.12Å; L179-F193 HydrophobicContact CD1-CE2 3.97Å; S189-F193 WeakPolarHBondContact O-CD2 3.19Å; S189-F193 WeakPolarHBondContact O-CE2 3.07Å; L190-F193 PolarHBondContact O-N 2.85Å; K191-F193 PolarHBondContact O-N 3.44Å; F193-R195 PolarHBondContact O-N 3Å
194S93.1Very high90Very high24 Ų2452.9 Ų52.917%0.16828%0.275CS..SBendtrans-88.786.2-179.6-57.20000110.1L190 K191 I246 H247L190-S194 WeakPolarHBondContact O-CB 3.48Å; L190-S194 PolarHBondContact O-N 3.45Å; L190-S194 PolarHBondContact O-OG 2.96Å; K191-S194 PolarHBondContact O-N 3.01Å; S194-I246 WeakPolarHBondContact OG-CD1 3.37Å; S194-H247 PolarHBondContact O-CD2 3.29Å; S194-H247 PolarHBondContact O-NE2 3.39Å
195R96.4Very high90.7Very high6 Ų651.6 Ų51.62%0.02327%0.271CS..  trans-104.1150.7-174.2-52.3178.577.780.4-1.9110.9N162 D165 S192 F193 Y197 F210N162-R195 PolarHBondContact OD1-NH2 3.14Å; D165-R195 IonicContact OD1-NE 3.47Å; D165-R195 PolarHBondContact OD1-NE 3.15Å; D165-R195 IonicContact OD2-CZ 3.76Å; D165-R195 IonicContact OD2-NE 3.88Å; D165-R195 PolarHBondContact OD2-NE 2.79Å; D165-R195 IonicContact OD2-NH2 2.77Å; D165-R195 PolarHBondContact OD2-NH2 2.97Å; S192-R195 WeakPolarHBondContact O-CD 3.39Å; S192-R195 WeakPolarHBondContact O-CG 3.45Å; S192-R195 PolarHBondContact O-NH1 3.15Å; F193-R195 PolarHBondContact O-N 3Å; R195-Y197 WeakPolarHBondContact O-CD1 3.1Å; R195-F210 HydrophobicContact CB-CD1 3.78Å; R195-F210 HydrophobicContact CB-CE1 4.04Å; R195-F210 HydrophobicContact CB-CG 4.27Å; R195-F210 HydrophobicContact CG-CD1 3.87Å; R195-F210 HydrophobicContact CG-CE1 4.05Å; R195-F210 PolarHBondContact NH2-O 3.16Å
196T97.7Very high91.6Very high3 Ų351.9 Ų51.92%0.01827%0.273CS..  trans-77.6128.3164.5-60.20000108.6F217 I240 F241 V242 P243 Y248T196-F217 HydrophobicContact CG2-CB 3.79Å; T196-F217 HydrophobicContact CG2-CD1 3.67Å; T196-F217 HydrophobicContact CG2-CD2 3.52Å; T196-F217 HydrophobicContact CG2-CE1 4.03Å; T196-F217 HydrophobicContact CG2-CE2 3.88Å; T196-F217 HydrophobicContact CG2-CG 3.37Å; T196-F217 HydrophobicContact CG2-CZ 4.11Å; T196-F217 VanDerWaalsContact O-CD2 3.24Å; T196-F217 WeakPolarHBondContact O-CD2 3.44Å; T196-F217 WeakPolarHBondContact O-CE2 3.22Å; T196-I240 HydrophobicContact CG2-CG2 3.65Å; T196-F241 WeakPolarHBondContact CA-O 3.4Å; T196-F241 VanDerWaalsContact CG2-O 3.31Å; T196-F241 WeakPolarHBondContact CG2-O 3.16Å; T196-V242 HydrophobicContact CG2-CG2 4.22Å; T196-P243 WeakPolarHBondContact OG1-CD 3.19Å; T196-Y248 WeakPolarHBondContact OG1-CE2 3.4Å; T196-Y248 PolarHBondContact OG1-OH 2.95Å
197Y97.5Very high92.6Very high99 Ų9948.5 Ų48.539%0.38826%0.257SS..EExtended strand (participates in β ladder)trans-150.9154.3-177.970.6-87.3000112.5R195 Q199 F241R195-Y197 WeakPolarHBondContact O-CD1 3.1Å; Y197-Q199 HydrophobicContact CD2-CG 4.41Å; Y197-Q199 HydrophobicContact CE2-CG 3.73Å; Y197-Q199 PolarHBondContact O-N 3.04Å; Y197-F241 HydrophobicContact CD1-CB 4.05Å; Y197-F241 AromaticContact CD1-CD1 3.79Å; Y197-F241 HydrophobicContact CD1-CD1 3.79Å; Y197-F241 HydrophobicContact CD1-CG 4.32Å; Y197-F241 HydrophobicContact CE1-CB 3.69Å; Y197-F241 AromaticContact CE1-CD1 3.32Å; Y197-F241 HydrophobicContact CE1-CD1 3.32Å; Y197-F241 HydrophobicContact CE1-CE1 4.16Å; Y197-F241 AromaticContact CE1-CG 3.7Å; Y197-F241 HydrophobicContact CE1-CG 3.7Å; Y197-F241 HydrophobicContact CE2-CB 4.4Å; Y197-F241 PolarHBondContact N-O 2.58Å; Y197-F241 PolarHBondContact O-N 2.78Å
198P97Very high93.3Very high25 Ų2546.6 Ų46.616%0.16225%0.247CC..EExtended strand (participates in β ladder)trans-73.7121.2172.330.6-34.2000111.2Y219 E239 I240P198-Y219 HydrophobicContact CB-CD1 4.09Å; P198-Y219 HydrophobicContact CB-CE1 3.67Å; P198-Y219 HydrophobicContact CB-CE2 4.27Å; P198-Y219 HydrophobicContact CG-CD1 4.36Å; P198-Y219 HydrophobicContact CG-CD2 4Å; P198-Y219 HydrophobicContact CG-CE1 4.06Å; P198-Y219 HydrophobicContact CG-CE2 3.73Å; P198-Y219 HydrophobicContact CG-CG 4.32Å; P198-E239 CarbonylContact C-O 3.53Å; P198-E239 WeakPolarHBondContact CA-O 3.48Å; P198-I240 HydrophobicContact CB-CD1 3.77Å
199Q95.6Very high94Very high99 Ų9949 Ų4946%0.46325%0.251SS..EExtended strand (participates in β ladder)trans-79.5-37.1172.5-65.5-178.2-83.800111.6Y197 E239 F241Y197-Q199 HydrophobicContact CD2-CG 4.41Å; Y197-Q199 HydrophobicContact CE2-CG 3.73Å; Y197-Q199 PolarHBondContact O-N 3.04Å; Q199-E239 HydrophobicContact CB-CB 4.44Å; Q199-E239 HydrophobicContact CB-CG 4.32Å; Q199-E239 PolarHBondContact N-O 3.22Å; Q199-F241 HydrophobicContact CG-CB 3.8Å
200S93.8Very high94.6Very high49 Ų4948.7 Ų48.734%0.34325%0.249SC..EExtended strand (participates in β ladder)trans-148.1153.1176.870.70000110.8A238 E239S200-A238 WeakPolarHBondContact O-CA 3.35Å; S200-E239 PolarHBondContact N-O 3.24Å; S200-E239 PolarHBondContact O-N 3.15Å; S200-E239 WeakPolarHBondContact OG-CB 3.39Å; S200-E239 PolarHBondContact OG-OE2 2.87Å
201T93Very high95Very high37 Ų3750.3 Ų50.323%0.22726%0.258CS..EExtended strand (participates in β ladder)trans-148.6136.3179.4-63.50000111.2G203 Y219 F221T201-G203 PolarHBondContact O-N 3.15Å; T201-Y219 VanDerWaalsContact CB-OH 3.29Å; T201-Y219 WeakPolarHBondContact CB-OH 3.21Å; T201-Y219 HydrophobicContact CG2-CE1 4.21Å; T201-Y219 VanDerWaalsContact CG2-OH 3.31Å; T201-Y219 WeakPolarHBondContact CG2-OH 3.1Å; T201-Y219 WeakPolarHBondContact OG1-CE1 3.42Å; T201-Y219 PolarHBondContact OG1-OH 2.89Å; T201-F221 HydrophobicContact CG2-CB 3.69Å; T201-F221 HydrophobicContact CG2-CD1 3.73Å; T201-F221 HydrophobicContact CG2-CD2 3.3Å; T201-F221 HydrophobicContact CG2-CE1 4.14Å; T201-F221 HydrophobicContact CG2-CE2 3.74Å; T201-F221 HydrophobicContact CG2-CG 3.28Å; T201-F221 HydrophobicContact CG2-CZ 4.14Å
202A89.9Confident95.2Very high15 Ų1546.6 Ų46.612%0.12424%0.243CC..SBendtrans-80.543.2178.600000112.4T224 N227 V237A202-T224 PolarHBondContact O-N 2.67Å; A202-T224 VanDerWaalsContact O-N 3.15Å; A202-T224 PolarHBondContact O-OG1 3.38Å; A202-N227 WeakPolarHBondContact CB-ND2 3.45Å; A202-N227 PolarHBondContact O-ND2 3.44Å; A202-V237 VanDerWaalsContact CB-O 3.26Å; A202-V237 WeakPolarHBondContact CB-O 3.2Å; A202-V237 PolarHBondContact N-O 3.07Å
203G91.9Very high95.2Very high19 Ų1953.3 Ų53.320%0.19628%0.278CS..EExtended strand (participates in β ladder)trans175.5-173.3-167.600000113.4T201 V222T201-G203 PolarHBondContact O-N 3.15Å; G203-V222 CarbonylContact C-O 3.59Å; G203-V222 WeakPolarHBondContact CA-O 3.26Å
204Q93.5Very high95.3Very high141 Ų14155.5 Ų55.566%0.65930%0.297SS*.EExtended strand (participates in β ladder)trans-95.8119.2177.3-175.8173.10.200110.4F221 V222Q204-F221 CarbonylContact O-C 3.53Å; Q204-F221 WeakPolarHBondContact O-CA 3.34Å; Q204-F221 WeakPolarHBondContact O-CB 3.35Å; Q204-V222 PolarHBondContact N-O 2.98Å; Q204-V222 PolarHBondContact O-N 2.83Å
205P95.7Very high95.5Very high51 Ų5154.6 Ų54.633%0.33129%0.291SS..EExtended strand (participates in β ladder)trans-57.4137.1172.8-22.632.6000112.1F168 Y219F168-P205 HydrophobicContact CD1-CB 3.67Å; F168-P205 HydrophobicContact CD1-CG 4.41Å; F168-P205 HydrophobicContact CD2-CB 4.27Å; F168-P205 HydrophobicContact CE1-CB 3.29Å; F168-P205 HydrophobicContact CE1-CG 4.38Å; F168-P205 HydrophobicContact CE2-CB 3.94Å; F168-P205 HydrophobicContact CG-CB 4.13Å; F168-P205 HydrophobicContact CZ-CB 3.42Å; F168-P205 VanDerWaalsContact CZ-CB 3.42Å; P205-Y219 HydrophobicContact CB-CE2 4.07Å
206V96.3Very high95.5Very high89 Ų8957.8 Ų57.854%0.53931%0.311SS..EExtended strand (participates in β ladder)trans-116.6-47.4-180177.90000111.1A220 V222V206-A220 PolarHBondContact N-O 3.41Å; V206-V222 HydrophobicContact CG2-CG2 3.67Å
207Q97.4Very high95.5Very high95 Ų9560.3 Ų60.344%0.44432%0.322SS..EExtended strand (participates in β ladder)trans-143.8139.4-178.8-172174.36.300111.4Y218 Y219 A220Q207-Y218 HydrophobicContact CB-CE1 4.06Å; Q207-Y218 HydrophobicContact CG-CD1 4.1Å; Q207-Y218 HydrophobicContact CG-CE1 3.87Å; Q207-Y219 WeakPolarHBondContact O-CA 3.17Å; Q207-Y219 VanDerWaalsContact O-CD2 3.27Å; Q207-Y219 WeakPolarHBondContact O-CD2 3.24Å; Q207-A220 HydrophobicContact CB-CB 4.31Å; Q207-A220 PolarHBondContact N-O 3.34Å; Q207-A220 VanDerWaalsContact N-O 3.15Å; Q207-A220 PolarHBondContact O-N 3.11Å
208L98.1Very high95.5Very high13 Ų1360.5 Ų60.57%0.06832%0.322CS..EExtended strand (participates in β ladder)trans-139.2132.4174.9170.962.7000108.8D165 F168 F217 Y218 Y219D165-L208 HydrophobicContact CB-CD2 4.12Å; D165-L208 HydrophobicContact CB-CG 4.03Å; F168-L208 HydrophobicContact CD1-CB 4.1Å; F168-L208 HydrophobicContact CD1-CD2 4.09Å; F168-L208 HydrophobicContact CE1-CB 3.41Å; F168-L208 VanDerWaalsContact CE1-CB 3.41Å; F168-L208 HydrophobicContact CE1-CD2 4.17Å; F168-L208 HydrophobicContact CE1-CG 4.42Å; F168-L208 HydrophobicContact CZ-CB 3.89Å; L208-F217 HydrophobicContact CD1-CD2 4.18Å; L208-F217 HydrophobicContact CD1-CE2 3.39Å; L208-F217 HydrophobicContact CD1-CZ 4.14Å; L208-Y218 WeakPolarHBondContact CA-O 3.31Å; L208-Y219 HydrophobicContact CB-CD2 4.33Å; L208-Y219 HydrophobicContact CD1-CD2 4.34Å
209R97.9Very high95.6Very high119 Ų11961 Ų6145%0.44932%0.321SS..EExtended strand (participates in β ladder)trans-147.2133.3173-173.9176.871.696.5-0.1109.5Y218R209-Y218 PolarHBondContact N-O 3.48Å; R209-Y218 PolarHBondContact O-N 3.34Å
210F98.1Very high95.6Very high3 Ų357.5 Ų57.51%0.01331%0.309CS..EExtended strand (participates in β ladder)trans-126.1133.6168.6177.5-106.9000109.1R195 V212 F217 H247R195-F210 HydrophobicContact CB-CD1 3.78Å; R195-F210 HydrophobicContact CB-CE1 4.04Å; R195-F210 HydrophobicContact CB-CG 4.27Å; R195-F210 HydrophobicContact CG-CD1 3.87Å; R195-F210 HydrophobicContact CG-CE1 4.05Å; R195-F210 PolarHBondContact NH2-O 3.16Å; F210-V212 HydrophobicContact CE1-CB 4.28Å; F210-F217 HydrophobicContact CD2-CB 4.24Å; F210-H247 AromaticContact CE1-NE2 3.95Å; F210-H247 AromaticContact CZ-CD2 3.73Å; F210-H247 AromaticContact CZ-CE1 3.76Å; F210-H247 AromaticContact CZ-CG 3.88Å; F210-H247 AromaticContact CZ-ND1 3.92Å; F210-H247 AromaticContact CZ-NE2 3.64Å
211D96.9Very high95.6Very high51 Ų5157.6 Ų57.627%0.27330%0.304SS..  trans-106.3113.3176.7-175-68.3000108.5D213 S214 G215 V216D211-D213 VanDerWaalsContact C-N 3.31Å; D211-D213 PolarHBondContact O-N 2.84Å; D211-D213 PolarHBondContact OD1-N 2.89Å; D211-S214 WeakPolarHBondContact CB-OG 3.34Å; D211-S214 WeakPolarHBondContact OD1-CB 3.45Å; D211-S214 PolarHBondContact OD1-N 3.5Å; D211-S214 PolarHBondContact OD1-OG 2.85Å; D211-G215 WeakPolarHBondContact O-CA 3.38Å; D211-G215 PolarHBondContact O-N 2.89Å; D211-V216 HydrophobicContact CB-CB 4.35Å; D211-V216 PolarHBondContact N-O 2.78Å
212V94.7Very high95.6Very high13 Ų1360 Ų608%0.07932%0.318CS..THydrogen-bonded Turntrans-69.6-28.4-172.567.30000113K191 F210 H247K191-V212 HydrophobicContact CB-CG2 4.02Å; K191-V212 WeakPolarHBondContact O-CG2 3.31Å; F210-V212 HydrophobicContact CE1-CB 4.28Å; V212-H247 PolarHBondContact O-CE1 3.22Å
213D92.9Very high95.6Very high145 Ų14562.6 Ų62.678%0.77533%0.334SS*.THydrogen-bonded Turntrans-81.5-40.4-175-62.7-41000111.1D211D211-D213 VanDerWaalsContact C-N 3.31Å; D211-D213 PolarHBondContact O-N 2.84Å; D211-D213 PolarHBondContact OD1-N 2.89Å
214S94.9Very high95.2Very high70 Ų7064.9 Ų64.949%0.4934%0.344SS..THydrogen-bonded Turntrans-97.1-14.6-178.964.10000114.4D211 V216D211-S214 WeakPolarHBondContact CB-OG 3.34Å; D211-S214 WeakPolarHBondContact OD1-CB 3.45Å; D211-S214 PolarHBondContact OD1-N 3.5Å; D211-S214 PolarHBondContact OD1-OG 2.85Å; S214-V216 PolarHBondContact O-N 3.46Å; S214-V216 WeakPolarHBondContact OG-CB 3.21Å; S214-V216 WeakPolarHBondContact OG-CG2 3.48Å; S214-V216 PolarHBondContact OG-N 3.24Å
215G95.5Very high94.1Very high4 Ų466.2 Ų66.24%0.04135%0.35CS..  trans68.410.1-170.200000113.4D211 F217 Y248D211-G215 WeakPolarHBondContact O-CA 3.38Å; D211-G215 PolarHBondContact O-N 2.89Å; G215-F217 PolarHBondContact O-N 2.87Å; G215-Y248 WeakPolarHBondContact O-CE1 3.49Å; G215-Y248 VanDerWaalsContact O-CZ 3.24Å; G215-Y248 PolarHBondContact O-OH 3.09Å
216V97.4Very high92.7Very high73 Ų7372.4 Ų72.444%0.44237%0.372SS..  trans-71.6118.3-179174.10000110D211 S214D211-V216 HydrophobicContact CB-CB 4.35Å; D211-V216 PolarHBondContact N-O 2.78Å; S214-V216 PolarHBondContact O-N 3.46Å; S214-V216 WeakPolarHBondContact OG-CB 3.21Å; S214-V216 WeakPolarHBondContact OG-CG2 3.48Å; S214-V216 PolarHBondContact OG-N 3.24Å
217F97.9Very high91.1Very high57 Ų5770.7 Ų70.725%0.2536%0.359CS..EExtended strand (participates in β ladder)trans-106.4134.2175.9171.9-105.7000110.8T196 L208 F210 G215 Y219 I240T196-F217 HydrophobicContact CG2-CB 3.79Å; T196-F217 HydrophobicContact CG2-CD1 3.67Å; T196-F217 HydrophobicContact CG2-CD2 3.52Å; T196-F217 HydrophobicContact CG2-CE1 4.03Å; T196-F217 HydrophobicContact CG2-CE2 3.88Å; T196-F217 HydrophobicContact CG2-CG 3.37Å; T196-F217 HydrophobicContact CG2-CZ 4.11Å; T196-F217 VanDerWaalsContact O-CD2 3.24Å; T196-F217 WeakPolarHBondContact O-CD2 3.44Å; T196-F217 WeakPolarHBondContact O-CE2 3.22Å; L208-F217 HydrophobicContact CD1-CD2 4.18Å; L208-F217 HydrophobicContact CD1-CE2 3.39Å; L208-F217 HydrophobicContact CD1-CZ 4.14Å; F210-F217 HydrophobicContact CD2-CB 4.24Å; G215-F217 PolarHBondContact O-N 2.87Å; F217-Y219 HydrophobicContact CZ-CG 4.12Å; F217-I240 HydrophobicContact CE1-CD1 4.36Å; F217-I240 HydrophobicContact CE1-CG2 3.82Å; F217-I240 HydrophobicContact CZ-CD1 4.29Å; F217-I240 HydrophobicContact CZ-CG2 3.99Å
218Y97.5Very high89.3Confident103 Ų10370 Ų7040%0.40436%0.364SS..EExtended strand (participates in β ladder)trans-130.8130.7172.5178.4-88.2000110.1Q207 L208 R209 A220Q207-Y218 HydrophobicContact CB-CE1 4.06Å; Q207-Y218 HydrophobicContact CG-CD1 4.1Å; Q207-Y218 HydrophobicContact CG-CE1 3.87Å; L208-Y218 WeakPolarHBondContact CA-O 3.31Å; R209-Y218 PolarHBondContact N-O 3.48Å; R209-Y218 PolarHBondContact O-N 3.34Å; Y218-A220 HydrophobicContact CE1-CB 3.99Å
219Y97.7Very high87.6Confident35 Ų3574.6 Ų74.614%0.13739%0.393CS..EExtended strand (participates in β ladder)trans-142.5133.5177.8179.1-125.8000111.2F168 P198 T201 P205 Q207 L208 F217 F221 A238 I240F168-Y219 HydrophobicContact CE1-CD2 4.44Å; F168-Y219 AromaticContact CE1-CE2 3.94Å; F168-Y219 HydrophobicContact CE1-CE2 3.94Å; P198-Y219 HydrophobicContact CB-CD1 4.09Å; P198-Y219 HydrophobicContact CB-CE1 3.67Å; P198-Y219 HydrophobicContact CB-CE2 4.27Å; P198-Y219 HydrophobicContact CG-CD1 4.36Å; P198-Y219 HydrophobicContact CG-CD2 4Å; P198-Y219 HydrophobicContact CG-CE1 4.06Å; P198-Y219 HydrophobicContact CG-CE2 3.73Å; P198-Y219 HydrophobicContact CG-CG 4.32Å; T201-Y219 VanDerWaalsContact CB-OH 3.29Å; T201-Y219 WeakPolarHBondContact CB-OH 3.21Å; T201-Y219 HydrophobicContact CG2-CE1 4.21Å; T201-Y219 VanDerWaalsContact CG2-OH 3.31Å; T201-Y219 WeakPolarHBondContact CG2-OH 3.1Å; T201-Y219 WeakPolarHBondContact OG1-CE1 3.42Å; T201-Y219 PolarHBondContact OG1-OH 2.89Å; P205-Y219 HydrophobicContact CB-CE2 4.07Å; Q207-Y219 WeakPolarHBondContact O-CA 3.17Å; Q207-Y219 VanDerWaalsContact O-CD2 3.27Å; Q207-Y219 WeakPolarHBondContact O-CD2 3.24Å; L208-Y219 HydrophobicContact CB-CD2 4.33Å; L208-Y219 HydrophobicContact CD1-CD2 4.34Å; F217-Y219 HydrophobicContact CZ-CG 4.12Å; Y219-F221 AromaticContact CD1-CD1 3.98Å; Y219-F221 HydrophobicContact CD1-CD1 3.98Å; Y219-F221 HydrophobicContact CD1-CE1 4.47Å; Y219-F221 HydrophobicContact CE1-CB 4.38Å; Y219-F221 AromaticContact CE1-CD1 3.45Å; Y219-F221 HydrophobicContact CE1-CD1 3.45Å; Y219-F221 VanDerWaalsContact CE1-CD1 3.45Å; Y219-F221 HydrophobicContact CE1-CE1 4.08Å; Y219-F221 HydrophobicContact CE1-CG 4.23Å; Y219-F221 AromaticContact CZ-CD1 3.96Å; Y219-A238 HydrophobicContact CE1-CB 4.48Å; Y219-I240 HydrophobicContact CD1-CD1 4.01Å; Y219-I240 HydrophobicContact CE1-CD1 4.4Å
220A96.5Very high85.8Confident25 Ų2574 Ų7421%0.20740%0.399CS..EExtended strand (participates in β ladder)trans-134.5140.8176.600000110.5V206 Q207 Y218V206-A220 PolarHBondContact N-O 3.41Å; Q207-A220 HydrophobicContact CB-CB 4.31Å; Q207-A220 PolarHBondContact N-O 3.34Å; Q207-A220 VanDerWaalsContact N-O 3.15Å; Q207-A220 PolarHBondContact O-N 3.11Å; Y218-A220 HydrophobicContact CE1-CB 3.99Å
221F94.8Very high84Confident52 Ų5280 Ų8023%0.22844%0.436CS..EExtended strand (participates in β ladder)trans-148154.1178.965.3-87.2000110.6T201 Q204 Y219 P223 V237 A238T201-F221 HydrophobicContact CG2-CB 3.69Å; T201-F221 HydrophobicContact CG2-CD1 3.73Å; T201-F221 HydrophobicContact CG2-CD2 3.3Å; T201-F221 HydrophobicContact CG2-CE1 4.14Å; T201-F221 HydrophobicContact CG2-CE2 3.74Å; T201-F221 HydrophobicContact CG2-CG 3.28Å; T201-F221 HydrophobicContact CG2-CZ 4.14Å; Q204-F221 CarbonylContact O-C 3.53Å; Q204-F221 WeakPolarHBondContact O-CA 3.34Å; Q204-F221 WeakPolarHBondContact O-CB 3.35Å; Y219-F221 AromaticContact CD1-CD1 3.98Å; Y219-F221 HydrophobicContact CD1-CD1 3.98Å; Y219-F221 HydrophobicContact CD1-CE1 4.47Å; Y219-F221 HydrophobicContact CE1-CB 4.38Å; Y219-F221 AromaticContact CE1-CD1 3.45Å; Y219-F221 HydrophobicContact CE1-CD1 3.45Å; Y219-F221 VanDerWaalsContact CE1-CD1 3.45Å; Y219-F221 HydrophobicContact CE1-CE1 4.08Å; Y219-F221 HydrophobicContact CE1-CG 4.23Å; Y219-F221 AromaticContact CZ-CD1 3.96Å; F221-P223 HydrophobicContact CD2-CG 4.44Å; F221-P223 HydrophobicContact CE2-CG 4.12Å; F221-V237 HydrophobicContact CZ-CB 4.06Å; F221-V237 HydrophobicContact CZ-CG2 4.27Å; F221-A238 HydrophobicContact CE1-CB 4.08Å; F221-A238 HydrophobicContact CZ-CB 4.33Å
222V92.6Very high82.5Confident87 Ų8785.4 Ų85.453%0.52746%0.464SS..EExtended strand (participates in β ladder)trans-93.3117.9171.8-177.60000108.9G203 Q204 V206G203-V222 CarbonylContact C-O 3.59Å; G203-V222 WeakPolarHBondContact CA-O 3.26Å; Q204-V222 PolarHBondContact N-O 2.98Å; Q204-V222 PolarHBondContact O-N 2.83Å; V206-V222 HydrophobicContact CG2-CG2 3.67Å
223P88.9Confident81.2Confident70 Ų7087.5 Ų87.546%0.45548%0.48SS..EExtended strand (participates in β ladder)trans-59.6138.8175.9-23.333.7000112.2F221F221-P223 HydrophobicContact CD2-CG 4.44Å; F221-P223 HydrophobicContact CE2-CG 4.12Å
224T84.7Confident80.2Confident67 Ų6787.9 Ų87.941%0.41149%0.487SS..PPolyproline II helixtrans-78.9133.3171.3540000110.3A202 K226 N227A202-T224 PolarHBondContact O-N 2.67Å; A202-T224 VanDerWaalsContact O-N 3.15Å; A202-T224 PolarHBondContact O-OG1 3.38Å; T224-K226 PolarHBondContact O-N 2.82Å; T224-N227 PolarHBondContact O-N 3.49Å; T224-N227 PolarHBondContact OG1-ND2 2.67Å
225Q69.5Low79.3Confident169 Ų16988 Ų8879%0.7948%0.482SS*.G310 helixtrans-50.4-31.9-172.6-167.7176.112.100114.8N227 C228Q225-N227 PolarHBondContact O-N 3.25Å; Q225-C228 PolarHBondContact O-N 2.88Å
226K67.4Low78.8Confident181 Ų18193.4 Ų93.479%0.78751%0.51SS*.G310 helixtrans-60.6-25.8179.9-167.6176.3178.7-1770113.6T224 T229T224-K226 PolarHBondContact O-N 2.82Å; K226-T229 PolarHBondContact O-OG1 3.33Å
227N61.3Low78.4Confident52 Ų5293.4 Ų93.428%0.27851%0.509SS..G310 helixtrans-90-20.5-177.6-66.9-22.9000112.8A202 T224 Q225 T229 L235A202-N227 WeakPolarHBondContact CB-ND2 3.45Å; A202-N227 PolarHBondContact O-ND2 3.44Å; T224-N227 PolarHBondContact O-N 3.49Å; T224-N227 PolarHBondContact OG1-ND2 2.67Å; Q225-N227 PolarHBondContact O-N 3.25Å; N227-T229 VanDerWaalsContact C-N 3.31Å; N227-T229 PolarHBondContact O-N 2.96Å; N227-L235 HydrophobicContact CB-CD1 4.22Å; N227-L235 HydrophobicContact CB-CD2 4.03Å; N227-L235 WeakPolarHBondContact O-CD2 3.39Å
228C60.4Low78.1Confident80 Ų8091.8 Ų91.854%0.54151%0.506SS..THydrogen-bonded Turntrans-79.6-7.5-177.1-59.20000114.4Q225Q225-C228 PolarHBondContact O-N 2.88Å
229T62.7Low77.9Confident110 Ų11091.2 Ų91.268%0.67551%0.507SS*.THydrogen-bonded Turntrans-88-16.8-171.451.80000114.4K226 N227 V231K226-T229 PolarHBondContact O-OG1 3.33Å; N227-T229 VanDerWaalsContact C-N 3.31Å; N227-T229 PolarHBondContact O-N 2.96Å; T229-V231 PolarHBondContact O-N 3.39Å
230N59.6Low77.9Confident108 Ų10892.4 Ų92.458%0.57852%0.516SS*.  trans-101.172.5-176.1-141.92.9000111.4N232 S233N230-N232 PolarHBondContact O-N 2.85Å; N230-N232 VanDerWaalsContact O-N 3.17Å; N230-S233 PolarHBondContact O-N 2.84Å; N230-S233 PolarHBondContact O-OG 3.25Å
231V60.1Low77.9Confident129 Ų12995 Ų9578%0.78252%0.523SS*.THydrogen-bonded Turntrans-64.2-20.2-172.5-166.60000113.1T229T229-V231 PolarHBondContact O-N 3.39Å
232N66.2Low78Confident163 Ų16394.7 Ų94.787%0.87252%0.524SS*.THydrogen-bonded Turntrans-91.20.5-173.6-73.2-11.8000115.1N230N230-N232 PolarHBondContact O-N 2.85Å; N230-N232 VanDerWaalsContact O-N 3.17Å
233S66.4Low78.1Confident58 Ų5891 Ų9141%0.40650%0.503SS..SBendtrans-120.6140.7177.155.90000111.3N230 L235N230-S233 PolarHBondContact O-N 2.84Å; N230-S233 PolarHBondContact O-OG 3.25Å; S233-L235 PolarHBondContact O-N 3.2Å
234T71.9Confident78.4Confident153 Ų15391.8 Ų91.894%0.93950%0.501SS*.  trans-53.6109.5165.4-50.90000108.8
235L77.1Confident78.7Confident72 Ų7293 Ų9338%0.37751%0.512SS..  trans-95.4118.3-179.1179.872.2000108.8N227 S233 V237N227-L235 HydrophobicContact CB-CD1 4.22Å; N227-L235 HydrophobicContact CB-CD2 4.03Å; N227-L235 WeakPolarHBondContact O-CD2 3.39Å; S233-L235 PolarHBondContact O-N 3.2Å; L235-V237 HydrophobicContact CD2-CG1 3.84Å; L235-V237 HydrophobicContact CG-CG1 4.06Å; L235-V237 PolarHBondContact O-N 2.95Å; L235-V237 VanDerWaalsContact O-N 3.14Å
236L85.1Confident79.8Confident118 Ų11886.5 Ų86.562%0.61848%0.483SS*.  trans-70.1106.9167.5-178.564.3000108.5A238L236-A238 WeakPolarHBondContact CD1-O 3.41Å
237V87.3Confident81.1Confident72 Ų7279.2 Ų79.244%0.43645%0.451SS..  trans-89.9-29.7-179-63.90000113A202 F221 L235A202-V237 VanDerWaalsContact CB-O 3.26Å; A202-V237 WeakPolarHBondContact CB-O 3.2Å; A202-V237 PolarHBondContact N-O 3.07Å; F221-V237 HydrophobicContact CZ-CB 4.06Å; F221-V237 HydrophobicContact CZ-CG2 4.27Å; L235-V237 HydrophobicContact CD2-CG1 3.84Å; L235-V237 HydrophobicContact CG-CG1 4.06Å; L235-V237 PolarHBondContact O-N 2.95Å; L235-V237 VanDerWaalsContact O-N 3.14Å
238A92Very high82.7Confident23 Ų2378.1 Ų78.119%0.1944%0.443CS..EExtended strand (participates in β ladder)trans-158.7144.417500000109.9S200 Y219 F221 L236 I240S200-A238 WeakPolarHBondContact O-CA 3.35Å; Y219-A238 HydrophobicContact CE1-CB 4.48Å; F221-A238 HydrophobicContact CE1-CB 4.08Å; F221-A238 HydrophobicContact CZ-CB 4.33Å; L236-A238 WeakPolarHBondContact CD1-O 3.41Å; A238-I240 HydrophobicContact CB-CD1 4.09Å
239E94.9Very high84.2Confident91 Ų9178.6 Ų78.643%0.42545%0.445SS..EExtended strand (participates in β ladder)trans-109.7123.1169.4-173.8176.6-160.300108P198 Q199 S200P198-E239 CarbonylContact C-O 3.53Å; P198-E239 WeakPolarHBondContact CA-O 3.48Å; Q199-E239 HydrophobicContact CB-CB 4.44Å; Q199-E239 HydrophobicContact CB-CG 4.32Å; Q199-E239 PolarHBondContact N-O 3.22Å; S200-E239 PolarHBondContact N-O 3.24Å; S200-E239 PolarHBondContact O-N 3.15Å; S200-E239 WeakPolarHBondContact OG-CB 3.39Å; S200-E239 PolarHBondContact OG-OE2 2.87Å
240I96.7Very high85.7Confident60 Ų6082.2 Ų82.231%0.30846%0.455SS..EExtended strand (participates in β ladder)trans-116.5122.3-174.6-51.6-58000108.5T196 P198 F217 Y219 A238 V242T196-I240 HydrophobicContact CG2-CG2 3.65Å; P198-I240 HydrophobicContact CB-CD1 3.77Å; F217-I240 HydrophobicContact CE1-CD1 4.36Å; F217-I240 HydrophobicContact CE1-CG2 3.82Å; F217-I240 HydrophobicContact CZ-CD1 4.29Å; F217-I240 HydrophobicContact CZ-CG2 3.99Å; Y219-I240 HydrophobicContact CD1-CD1 4.01Å; Y219-I240 HydrophobicContact CE1-CD1 4.4Å; A238-I240 HydrophobicContact CB-CD1 4.09Å; I240-V242 HydrophobicContact CG2-CG2 4.13Å
241F97.2Very high87.4Confident81 Ų8178.9 Ų78.936%0.35545%0.446SS..EExtended strand (participates in β ladder)trans-76.6131.5169.1175.7-100.8000109.6T196 Y197 Q199 P243T196-F241 WeakPolarHBondContact CA-O 3.4Å; T196-F241 VanDerWaalsContact CG2-O 3.31Å; T196-F241 WeakPolarHBondContact CG2-O 3.16Å; Y197-F241 HydrophobicContact CD1-CB 4.05Å; Y197-F241 AromaticContact CD1-CD1 3.79Å; Y197-F241 HydrophobicContact CD1-CD1 3.79Å; Y197-F241 HydrophobicContact CD1-CG 4.32Å; Y197-F241 HydrophobicContact CE1-CB 3.69Å; Y197-F241 AromaticContact CE1-CD1 3.32Å; Y197-F241 HydrophobicContact CE1-CD1 3.32Å; Y197-F241 HydrophobicContact CE1-CE1 4.16Å; Y197-F241 AromaticContact CE1-CG 3.7Å; Y197-F241 HydrophobicContact CE1-CG 3.7Å; Y197-F241 HydrophobicContact CE2-CB 4.4Å; Y197-F241 PolarHBondContact N-O 2.58Å; Y197-F241 PolarHBondContact O-N 2.78Å; Q199-F241 HydrophobicContact CG-CB 3.8Å; F241-P243 HydrophobicContact CE1-CB 4.01Å; F241-P243 HydrophobicContact CE1-CG 4.36Å; F241-P243 HydrophobicContact CZ-CB 4.38Å
242V97Very high89.1Confident44 Ų4476.2 Ų76.227%0.26743%0.429SS..  trans-129.4112.1-178.6-177.60000109.2T196 I240 M244 Y248 V252T196-V242 HydrophobicContact CG2-CG2 4.22Å; I240-V242 HydrophobicContact CG2-CG2 4.13Å; V242-M244 VanDerWaalsContact C-N 3.28Å; V242-M244 HydrophobicContact CB-SD 4.43Å; V242-M244 HydrophobicContact CG1-CG 4.27Å; V242-M244 HydrophobicContact CG1-SD 3.64Å; V242-M244 PolarHBondContact O-N 3.14Å; V242-Y248 HydrophobicContact CG1-CD2 3.39Å; V242-Y248 HydrophobicContact CG1-CE2 3.6Å; V242-Y248 HydrophobicContact CG1-CG 4.17Å; V242-V252 HydrophobicContact CG1-CG1 3.7Å
243P94.3Very high90.5Very high11 Ų1178.6 Ų78.67%0.07143%0.432CS..  trans-75.676.3177.630.8-36.2000111.6T196 F241 S245 I246 H247 Y248T196-P243 WeakPolarHBondContact OG1-CD 3.19Å; F241-P243 HydrophobicContact CE1-CB 4.01Å; F241-P243 HydrophobicContact CE1-CG 4.36Å; F241-P243 HydrophobicContact CZ-CB 4.38Å; P243-S245 PolarHBondContact O-N 3.42Å; P243-I246 HydrophobicContact CB-CB 4.48Å; P243-I246 PolarHBondContact O-N 3.47Å; P243-I246 VanDerWaalsContact O-N 3.15Å; P243-H247 HydrophobicContact CG-CB 4.46Å; P243-H247 PolarHBondContact O-N 3.29Å; P243-Y248 HydrophobicContact CG-CE2 4.36Å
244M94.2Very high91.8Very high86 Ų8680.2 Ų80.242%0.42444%0.44SS..Hα-helixtrans-53.1-47.9-172.9-67.2-66.4-66.800113.2V242 I246 Y248 P249 V252V242-M244 VanDerWaalsContact C-N 3.28Å; V242-M244 HydrophobicContact CB-SD 4.43Å; V242-M244 HydrophobicContact CG1-CG 4.27Å; V242-M244 HydrophobicContact CG1-SD 3.64Å; V242-M244 PolarHBondContact O-N 3.14Å; M244-I246 PolarHBondContact O-N 3.17Å; M244-Y248 CarbonylContact O-C 2.89Å; M244-Y248 WeakPolarHBondContact O-CA 3.21Å; M244-Y248 PolarHBondContact O-N 3.47Å; M244-Y248 VanDerWaalsContact O-N 3.09Å; M244-Y248 VanDerWaalsContact O-O 3.13Å; M244-P249 VanDerWaalsContact O-N 3.12Å; M244-V252 HydrophobicContact SD-CG1 4.15Å
245S91.6Very high92.9Very high91 Ų9182.9 Ų82.964%0.63643%0.433SS*.Hα-helixtrans-68.8-18.7-175.9-53.80000114.5P243P243-S245 PolarHBondContact O-N 3.42Å
246I92.1Very high93.5Very high34 Ų3487.5 Ų87.517%0.17445%0.45CS..Hα-helixtrans-105.2-46.6-171.9-62.2174.5000111.2L190 K191 S194 P243 M244L190-I246 HydrophobicContact CB-CD1 4.28Å; K191-I246 HydrophobicContact CG-CG2 4.01Å; S194-I246 WeakPolarHBondContact OG-CD1 3.37Å; P243-I246 HydrophobicContact CB-CB 4.48Å; P243-I246 PolarHBondContact O-N 3.47Å; P243-I246 VanDerWaalsContact O-N 3.15Å; M244-I246 PolarHBondContact O-N 3.17Å
247H94.2Very high93.7Very high27 Ų2786.7 Ų86.713%0.12545%0.446CS..Hα-helixtrans-110.2-20.4-175.3-74.2-72000114.2K191 S194 F210 V212 P243 P249K191-H247 PolarHBondContact O-CE1 2.9Å; K191-H247 PolarHBondContact O-NE2 2.9Å; S194-H247 PolarHBondContact O-CD2 3.29Å; S194-H247 PolarHBondContact O-NE2 3.39Å; F210-H247 AromaticContact CE1-NE2 3.95Å; F210-H247 AromaticContact CZ-CD2 3.73Å; F210-H247 AromaticContact CZ-CE1 3.76Å; F210-H247 AromaticContact CZ-CG 3.88Å; F210-H247 AromaticContact CZ-ND1 3.92Å; F210-H247 AromaticContact CZ-NE2 3.64Å; V212-H247 PolarHBondContact O-CE1 3.22Å; P243-H247 HydrophobicContact CG-CB 4.46Å; P243-H247 PolarHBondContact O-N 3.29Å; H247-P249 VanDerWaalsContact C-CD 3.45Å
248Y95.1Very high93.4Very high29 Ų2989.4 Ų89.411%0.11447%0.465CS..  trans-134.252.3-172-46.7-80.4000113T196 G215 V242 P243 M244 H250 G251 V252T196-Y248 WeakPolarHBondContact OG1-CE2 3.4Å; T196-Y248 PolarHBondContact OG1-OH 2.95Å; G215-Y248 WeakPolarHBondContact O-CE1 3.49Å; G215-Y248 VanDerWaalsContact O-CZ 3.24Å; G215-Y248 PolarHBondContact O-OH 3.09Å; V242-Y248 HydrophobicContact CG1-CD2 3.39Å; V242-Y248 HydrophobicContact CG1-CE2 3.6Å; V242-Y248 HydrophobicContact CG1-CG 4.17Å; P243-Y248 HydrophobicContact CG-CE2 4.36Å; M244-Y248 CarbonylContact O-C 2.89Å; M244-Y248 WeakPolarHBondContact O-CA 3.21Å; M244-Y248 PolarHBondContact O-N 3.47Å; M244-Y248 VanDerWaalsContact O-N 3.09Å; M244-Y248 VanDerWaalsContact O-O 3.13Å; Y248-H250 PolarHBondContact O-N 3.31Å; Y248-G251 PolarHBondContact O-N 3.03Å; Y248-V252 HydrophobicContact CD1-CG1 3.58Å; Y248-V252 HydrophobicContact CD2-CG1 4.05Å; Y248-V252 HydrophobicContact CE1-CG1 4.12Å; Y248-V252 HydrophobicContact CG-CG1 3.5Å; Y248-V252 VanDerWaalsContact CG-CG1 3.5Å
249P92.3Very high92.3Very high90 Ų90100.2 Ų100.258%0.58451%0.512SS*.THydrogen-bonded Turntrans-61.2-21.5-175.425-35000113.1M244 H247M244-P249 VanDerWaalsContact O-N 3.12Å; H247-P249 VanDerWaalsContact C-CD 3.45Å
250H94.2Very high92.2Very high187 Ų187100.7 Ų100.787%0.86652%0.516SS*.THydrogen-bonded Turntrans-104.811.6178.8-51.6116.5000113.5Y248Y248-H250 PolarHBondContact O-N 3.31Å
251G95.5Very high92Very high38 Ų38102.8 Ų102.839%0.39253%0.527SS..  trans94.4178.4-177.400000114.6Y248Y248-G251 PolarHBondContact O-N 3.03Å
252V95.4Very high91.7Very high72 Ų72104.1 Ų104.144%0.43654%0.537SS..  trans-116.9143-177.5-67.60000111.8V242 M244 Y248 T254V242-V252 HydrophobicContact CG1-CG1 3.7Å; M244-V252 HydrophobicContact SD-CG1 4.15Å; Y248-V252 HydrophobicContact CD1-CG1 3.58Å; Y248-V252 HydrophobicContact CD2-CG1 4.05Å; Y248-V252 HydrophobicContact CE1-CG1 4.12Å; Y248-V252 HydrophobicContact CG-CG1 3.5Å; Y248-V252 VanDerWaalsContact CG-CG1 3.5Å; V252-T254 HydrophobicContact CG2-CG2 4.37Å
253K95.8Very high91.4Very high213 Ų213107.6 Ų107.693%0.92655%0.553SS**  trans-107.2119.3166.6-175.5178.3-178.71780108.9
254T94.3Very high91.2Very high93 Ų93113.6 Ų113.657%0.57158%0.583SS**  trans-104.7143.4-178.156.20000111.4V252 F256V252-T254 HydrophobicContact CG2-CG2 4.37Å; T254-F256 HydrophobicContact CG2-CZ 4.48Å
255R94.5Very high91Very high209 Ų209115.5 Ų115.579%0.78959%0.593SS**  trans-129.9130.6169.3-179.7179.5175.1175.72.8108.7N257R255-N257 PolarHBondContact NE-OD1 2.96Å
256F90.8Very high90.9Very high169 Ų169117.2 Ų117.274%0.74159%0.59SS**  trans-115.6127.3177.3-57-86.1000108.6T254T254-F256 HydrophobicContact CG2-CZ 4.48Å
257N88.2Confident90.9Very high101 Ų101123.6 Ų123.654%0.5462%0.622SS.*  trans-121.6104174.4-63.3-22.3000107.6R255 E259R255-N257 PolarHBondContact NE-OD1 2.96Å; N257-E259 PolarHBondContact O-N 2.96Å
258P82Confident90.6Very high128 Ų128131.7 Ų131.783%0.83166%0.664SS**  trans-71.3122.8164.829.4-29.8000108.2
259E68.7Low90.2Very high251 Ų251141 Ų141100%1.17371%0.714SS**  trans-99.70167.9-69.9-175.7-174.600110.3N257N257-E259 PolarHBondContact O-N 2.96Å

Retrieved 259 of 259 residues in 75.8 ms (Link to these results)

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