A0A5K4F664_SCHMA Loading...

Glyco_hydro_5_C domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F664, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 298 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
1M83.7Confident91.9Very high117 Ų11775.2 Ų75.258%0.57638%0.384SS*.  0133.60178.9179.1164.200107.9N3 F47 T138M1-N3 HydrophobicContact CE-CB 4.17Å; M1-N3 WeakPolarHBondContact CE-OD1 3.28Å; M1-F47 HydrophobicContact CB-CB 3.82Å; M1-F47 HydrophobicContact CB-CG 4.43Å; M1-F47 HydrophobicContact CG-CB 4.07Å; M1-T138 HydrophobicContact CE-CG2 3.94Å; M1-T138 HydrophobicContact SD-CG2 3.98Å
2I85.1Confident92.3Very high64 Ų6481.2 Ų81.233%0.32842%0.416SS..  trans-110.4114.2167.3-58.6-63.3000105.4P5 F29 Y30 L33I2-P5 HydrophobicContact CG2-CB 3.87Å; I2-P5 HydrophobicContact CG2-CG 4.28Å; I2-F29 HydrophobicContact CG2-CE1 4.43Å; I2-Y30 HydrophobicContact CB-CE1 4.07Å; I2-Y30 HydrophobicContact CG1-CE1 3.97Å; I2-L33 HydrophobicContact CD1-CD1 4.28Å; I2-L33 HydrophobicContact CG1-CD1 4.12Å
3N92.1Very high92.6Very high71 Ų7179.8 Ų79.838%0.3841%0.41SS..  trans-86.2129.8-176.5-158.653.3000110.7M1 H89 E139M1-N3 HydrophobicContact CE-CB 4.17Å; M1-N3 WeakPolarHBondContact CE-OD1 3.28Å; N3-H89 PolarHBondContact OD1-CE1 3.05Å; N3-H89 VanDerWaalsContact OD1-CE1 3.24Å; N3-H89 PolarHBondContact OD1-NE2 3.04Å; N3-E139 PolarHBondContact ND2-OE1 2.99Å; N3-E139 PolarHBondContact OD1-OE1 3.19Å; N3-E139 VanDerWaalsContact OD1-OE1 3.13Å
4E93.6Very high92.8Very high96 Ų9679.9 Ų79.945%0.44942%0.418SS..SBendtrans42.653.3173.3-51.5-161.5149.800113.9E49 T52 H89E4-E49 PolarHBondContact N-OE2 2.83Å; E4-T52 HydrophobicContact CB-CG2 4.01Å; E4-T52 HydrophobicContact CG-CG2 3.56Å; E4-T52 WeakPolarHBondContact OE1-CG2 3.39Å; E4-H89 VanDerWaalsContact CG-CE1 3.48Å; E4-H89 WeakPolarHBondContact CG-CE1 3.46Å; E4-H89 IonicContact OE1-CE1 3.94Å; E4-H89 IonicContact OE1-ND1 3.93Å; E4-H89 PolarHBondContact OE1-ND1 3.13Å
5P92.6Very high93.1Very high12 Ų1283.6 Ų83.68%0.07843%0.43CS..  trans-60.5137.5-178.627.6-35.1000110.2I2 L26 E49I2-P5 HydrophobicContact CG2-CB 3.87Å; I2-P5 HydrophobicContact CG2-CG 4.28Å; P5-L26 HydrophobicContact CB-CD2 3.8Å; P5-L26 HydrophobicContact CG-CD1 4.38Å; P5-L26 HydrophobicContact CG-CD2 3.8Å; P5-E49 HydrophobicContact CG-CB 4.49Å
6P92.8Very high93.2Very high93 Ų9379.3 Ų79.360%0.60441%0.408SS*.  trans-61.2145.5172.427.3-33.8000108.9G8P6-G8 PolarHBondContact O-N 3.25Å
7P93.7Very high93.3Very high12 Ų1279.4 Ų79.48%0.07841%0.409CS..  trans-66.7-0.5179.728.3-35.8000113.6F10 L16 A22 N25 V51P7-F10 HydrophobicContact CG-CD1 4.23Å; P7-L16 HydrophobicContact CB-CB 4.28Å; P7-L16 WeakPolarHBondContact CB-O 3.41Å; P7-L16 HydrophobicContact CG-CB 4.47Å; P7-L16 WeakPolarHBondContact CG-O 3.32Å; P7-A22 HydrophobicContact CB-CB 3.73Å; P7-N25 PolarHBondContact O-ND2 3.39Å; P7-V51 HydrophobicContact CB-CG1 3.67Å; P7-V51 HydrophobicContact CG-CG1 4.1Å
8G93.7Very high93.4Very high25 Ų2580.1 Ų80.126%0.25841%0.413SS..SBendtrans122.8-166.4-17200000110.4P6 F10P6-G8 PolarHBondContact O-N 3.25Å; G8-F10 VanDerWaalsContact C-N 3.32Å; G8-F10 PolarHBondContact O-N 3.24Å
9N94.4Very high93.4Very high83 Ų8376.7 Ų76.744%0.44440%0.396SS..  trans-79.681.3177.5-169.7-17.6000110.9Y11 L12 N13N9-Y11 PolarHBondContact O-N 2.96Å; N9-Y11 WeakPolarHBondContact OD1-CB 3.22Å; N9-Y11 PolarHBondContact OD1-N 3.26Å; N9-L12 HydrophobicContact CB-CB 4.49Å; N9-L12 HydrophobicContact CB-CD1 4.42Å; N9-L12 VanDerWaalsContact ND2-CD1 3.28Å; N9-L12 WeakPolarHBondContact ND2-CD1 3.42Å; N9-L12 WeakPolarHBondContact ND2-CG 3.34Å; N9-L12 PolarHBondContact O-N 3.02Å; N9-L12 VanDerWaalsContact O-N 3.13Å; N9-L12 PolarHBondContact OD1-N 3.27Å; N9-N13 PolarHBondContact O-N 3.17Å
10F94Very high93.4Very high65 Ų6576.3 Ų76.329%0.28540%0.395SS..THydrogen-bonded Turntrans-69-11.6179.961.3-96.1000113.7P7 G8 N13 P14 L16 L17P7-F10 HydrophobicContact CG-CD1 4.23Å; G8-F10 VanDerWaalsContact C-N 3.32Å; G8-F10 PolarHBondContact O-N 3.24Å; F10-N13 WeakPolarHBondContact CA-O 3.49Å; F10-N13 CarbonylContact O-C 3.56Å; F10-N13 VanDerWaalsContact O-C 3.31Å; F10-P14 WeakPolarHBondContact O-CA 3.41Å; F10-P14 VanDerWaalsContact O-N 3.1Å; F10-L16 HydrophobicContact CB-CB 4.23Å; F10-L17 HydrophobicContact CB-CD2 4.03Å; F10-L17 HydrophobicContact CB-CG 4.08Å; F10-L17 HydrophobicContact CD1-CD2 4.39Å; F10-L17 HydrophobicContact CD2-CD2 4.25Å; F10-L17 HydrophobicContact CG-CD2 3.97Å; F10-L17 HydrophobicContact CG-CG 4.44Å
11Y95Very high93.5Very high189 Ų18975.5 Ų75.574%0.74139%0.391SS*.THydrogen-bonded Turntrans-71-36.6169.4-64.2-78.4000111.8N9N9-Y11 PolarHBondContact O-N 2.96Å; N9-Y11 WeakPolarHBondContact OD1-CB 3.22Å; N9-Y11 PolarHBondContact OD1-N 3.26Å
12L96.4Very high94.1Very high147 Ų14769.9 Ų69.977%0.7736%0.363SS*.THydrogen-bonded Turntrans-81.4-34.2174.6-67.6-179.9000112.2N9N9-L12 HydrophobicContact CB-CB 4.49Å; N9-L12 HydrophobicContact CB-CD1 4.42Å; N9-L12 VanDerWaalsContact ND2-CD1 3.28Å; N9-L12 WeakPolarHBondContact ND2-CD1 3.42Å; N9-L12 WeakPolarHBondContact ND2-CG 3.34Å; N9-L12 PolarHBondContact O-N 3.02Å; N9-L12 VanDerWaalsContact O-N 3.13Å; N9-L12 PolarHBondContact OD1-N 3.27Å
13N96Very high94.6Very high64 Ų6466.9 Ų66.934%0.34235%0.348SS..  trans-135.288.6178-176.87000111.2N9 F10 F15 L16N9-N13 PolarHBondContact O-N 3.17Å; F10-N13 WeakPolarHBondContact CA-O 3.49Å; F10-N13 CarbonylContact O-C 3.56Å; F10-N13 VanDerWaalsContact O-C 3.31Å; N13-F15 PolarHBondContact O-N 3.19Å; N13-F15 WeakPolarHBondContact OD1-CB 3.25Å; N13-F15 WeakPolarHBondContact OD1-CD2 3.34Å; N13-F15 PolarHBondContact OD1-N 3.41Å; N13-L16 HydrophobicContact CB-CD1 4Å; N13-L16 HydrophobicContact CB-CG 4.14Å; N13-L16 VanDerWaalsContact O-CB 3.32Å; N13-L16 WeakPolarHBondContact O-CB 3.38Å; N13-L16 WeakPolarHBondContact O-CG 3.48Å; N13-L16 PolarHBondContact O-N 2.97Å
14P96.4Very high94.7Very high81 Ų8168 Ų6853%0.52635%0.351SS..G310 helixtrans-58-21.6180-27.335.6000114.5F10 L16 L17F10-P14 WeakPolarHBondContact O-CA 3.41Å; F10-P14 VanDerWaalsContact O-N 3.1Å; P14-L16 PolarHBondContact O-N 2.98Å; P14-L17 WeakPolarHBondContact O-CB 3.45Å; P14-L17 WeakPolarHBondContact O-CG 3.39Å; P14-L17 PolarHBondContact O-N 3.18Å
15F96.5Very high94.9Very high135 Ų13566.3 Ų66.359%0.59235%0.345SS*.G310 helixtrans-65-17.2175.7-64.3-70000113.2N13 L17 L18 I21N13-F15 PolarHBondContact O-N 3.19Å; N13-F15 WeakPolarHBondContact OD1-CB 3.25Å; N13-F15 WeakPolarHBondContact OD1-CD2 3.34Å; N13-F15 PolarHBondContact OD1-N 3.41Å; F15-L17 PolarHBondContact O-N 3.22Å; F15-L17 VanDerWaalsContact O-N 3.17Å; F15-L18 HydrophobicContact CD1-CD1 4.04Å; F15-L18 WeakPolarHBondContact O-CB 3.49Å; F15-L18 PolarHBondContact O-N 3.24Å; F15-I21 HydrophobicContact CB-CD1 3.72Å
16L95.8Very high95.1Very high15 Ų1566 Ų668%0.07934%0.342CS..G310 helixtrans-63-13.4170.2-68.2170.6000112.8P7 F10 N13 P14 L18 I21 A22 N25P7-L16 HydrophobicContact CB-CB 4.28Å; P7-L16 WeakPolarHBondContact CB-O 3.41Å; P7-L16 HydrophobicContact CG-CB 4.47Å; P7-L16 WeakPolarHBondContact CG-O 3.32Å; F10-L16 HydrophobicContact CB-CB 4.23Å; N13-L16 HydrophobicContact CB-CD1 4Å; N13-L16 HydrophobicContact CB-CG 4.14Å; N13-L16 VanDerWaalsContact O-CB 3.32Å; N13-L16 WeakPolarHBondContact O-CB 3.38Å; N13-L16 WeakPolarHBondContact O-CG 3.48Å; N13-L16 PolarHBondContact O-N 2.97Å; P14-L16 PolarHBondContact O-N 2.98Å; L16-L18 VanDerWaalsContact C-N 3.29Å; L16-I21 HydrophobicContact CD2-CG2 4.03Å; L16-A22 VanDerWaalsContact O-CB 3.25Å; L16-A22 WeakPolarHBondContact O-CB 3.16Å; L16-N25 HydrophobicContact CD2-CB 3.87Å
17L94.7Very high95.2Very high80 Ų8062 Ų6242%0.41932%0.316SS..G310 helixtrans-75.5-18.9170.7-62.9175.2000112.6F10 P14 F15 P19 Y53F10-L17 HydrophobicContact CB-CD2 4.03Å; F10-L17 HydrophobicContact CB-CG 4.08Å; F10-L17 HydrophobicContact CD1-CD2 4.39Å; F10-L17 HydrophobicContact CD2-CD2 4.25Å; F10-L17 HydrophobicContact CG-CD2 3.97Å; F10-L17 HydrophobicContact CG-CG 4.44Å; P14-L17 WeakPolarHBondContact O-CB 3.45Å; P14-L17 WeakPolarHBondContact O-CG 3.39Å; P14-L17 PolarHBondContact O-N 3.18Å; F15-L17 PolarHBondContact O-N 3.22Å; F15-L17 VanDerWaalsContact O-N 3.17Å; L17-P19 WeakPolarHBondContact O-CD 3.41Å; L17-Y53 WeakPolarHBondContact CA-OH 3.32Å; L17-Y53 WeakPolarHBondContact O-CE2 3.38Å; L17-Y53 PolarHBondContact O-OH 3.17Å
18L94.4Very high95.3Very high93 Ų9366.8 Ų66.849%0.48734%0.34SS..SBendtrans-74.8124.4176-61.8178.9000109.4F15 L16 N20 I21 A22F15-L18 HydrophobicContact CD1-CD1 4.04Å; F15-L18 WeakPolarHBondContact O-CB 3.49Å; F15-L18 PolarHBondContact O-N 3.24Å; L16-L18 VanDerWaalsContact C-N 3.29Å; L18-N20 PolarHBondContact O-N 3.49Å; L18-N20 VanDerWaalsContact O-N 3.08Å; L18-I21 HydrophobicContact CB-CD1 4.4Å; L18-I21 HydrophobicContact CD1-CD1 4.15Å; L18-I21 PolarHBondContact O-N 2.76Å; L18-A22 WeakPolarHBondContact O-CB 3.33Å; L18-A22 PolarHBondContact O-N 3.5Å
19P93.5Very high95.4Very high15 Ų1569.7 Ų69.710%0.09735%0.346CS..Hα-helixtrans-52.8-38.2-173.5-29.233.3000114.8L17 I21 A22 G23 V51 Y53 F57 G65 T66L17-P19 WeakPolarHBondContact O-CD 3.41Å; P19-I21 PolarHBondContact O-N 2.88Å; P19-A22 PolarHBondContact O-N 2.84Å; P19-G23 PolarHBondContact O-N 3.25Å; P19-V51 HydrophobicContact CB-CG2 4.3Å; P19-Y53 HydrophobicContact CG-CD2 4.14Å; P19-Y53 HydrophobicContact CG-CE2 3.87Å; P19-F57 HydrophobicContact CG-CD1 4.48Å; P19-F57 HydrophobicContact CG-CD2 3.89Å; P19-F57 HydrophobicContact CG-CE2 4.06Å; P19-F57 HydrophobicContact CG-CG 4.12Å; P19-F57 HydrophobicContact CG-CZ 4.41Å; P19-G65 WeakPolarHBondContact CB-O 3.46Å; P19-T66 CarbonylContact O-C 3.31Å
20N93.2Very high95.6Very high69 Ų6965.8 Ų65.837%0.36933%0.325SS..Hα-helixtrans-60.6-42.7178.5-173.727.4000112.8L18 Q24L18-N20 PolarHBondContact O-N 3.49Å; L18-N20 VanDerWaalsContact O-N 3.08Å; N20-Q24 WeakPolarHBondContact O-CG 3.29Å; N20-Q24 PolarHBondContact O-N 3.36Å; N20-Q24 PolarHBondContact OD1-NE2 3.4Å
21I95.4Very high95.7Very high59 Ų5963.2 Ų63.230%0.30331%0.314SS..Hα-helixtrans-79.3-40.6-178.3-57.9174.4000109.5F15 L16 L18 P19 G23 Q24 N25F15-I21 HydrophobicContact CB-CD1 3.72Å; L16-I21 HydrophobicContact CD2-CG2 4.03Å; L18-I21 HydrophobicContact CB-CD1 4.4Å; L18-I21 HydrophobicContact CD1-CD1 4.15Å; L18-I21 PolarHBondContact O-N 2.76Å; P19-I21 PolarHBondContact O-N 2.88Å; I21-G23 PolarHBondContact O-N 3.21Å; I21-Q24 PolarHBondContact O-N 3.31Å; I21-N25 PolarHBondContact O-N 2.68Å
22A96.2Very high95.8Very high0 Ų061.7 Ų61.70%031%0.308CS..Hα-helixtrans-54.7-51.4173.800000112P7 L16 L18 P19 Q24 N25 L26 V51P7-A22 HydrophobicContact CB-CB 3.73Å; L16-A22 VanDerWaalsContact O-CB 3.25Å; L16-A22 WeakPolarHBondContact O-CB 3.16Å; L18-A22 WeakPolarHBondContact O-CB 3.33Å; L18-A22 PolarHBondContact O-N 3.5Å; P19-A22 PolarHBondContact O-N 2.84Å; A22-Q24 PolarHBondContact O-N 3.44Å; A22-N25 PolarHBondContact O-N 2.92Å; A22-L26 WeakPolarHBondContact O-CB 3.43Å; A22-L26 WeakPolarHBondContact O-CG 3.49Å; A22-L26 PolarHBondContact O-N 3.39Å; A22-V51 HydrophobicContact CB-CG1 3.68Å; A22-V51 HydrophobicContact CB-CG2 4.1Å
23G96Very high95.8Very high0 Ų056.6 Ų56.60%028%0.282CS..Hα-helixtrans-62-40.8-178.400000112.7P19 I21 L26 L27 T66P19-G23 PolarHBondContact O-N 3.25Å; I21-G23 PolarHBondContact O-N 3.21Å; G23-L26 PolarHBondContact O-N 3.49Å; G23-L27 WeakPolarHBondContact O-CB 3.37Å; G23-L27 WeakPolarHBondContact O-CG 3.47Å; G23-L27 PolarHBondContact O-N 3.03Å; G23-T66 VanDerWaalsContact CA-O 3.29Å; G23-T66 WeakPolarHBondContact CA-O 2.89Å
24Q95Very high95.8Very high95 Ų9554 Ų5444%0.44427%0.268SS..Hα-helixtrans-63.6-43.8174.6-71175.931.900111.9N20 I21 A22 L27 L28N20-Q24 WeakPolarHBondContact O-CG 3.29Å; N20-Q24 PolarHBondContact O-N 3.36Å; N20-Q24 PolarHBondContact OD1-NE2 3.4Å; I21-Q24 PolarHBondContact O-N 3.31Å; A22-Q24 PolarHBondContact O-N 3.44Å; Q24-L27 PolarHBondContact O-N 2.9Å; Q24-L28 PolarHBondContact O-N 3.44Å
25N96.6Very high95.8Very high61 Ų6153.4 Ų53.433%0.32626%0.26SS..Hα-helixtrans-66.1-43.5178.5-169.156.6000111.9P7 L16 I21 A22 L27 L28 F29P7-N25 PolarHBondContact O-ND2 3.39Å; L16-N25 HydrophobicContact CD2-CB 3.87Å; I21-N25 PolarHBondContact O-N 2.68Å; A22-N25 PolarHBondContact O-N 2.92Å; N25-L27 VanDerWaalsContact C-N 3.32Å; N25-L27 PolarHBondContact O-N 3.45Å; N25-L28 PolarHBondContact O-N 3.08Å; N25-F29 PolarHBondContact O-N 3.32Å
26L96.9Very high95.8Very high4 Ų449.8 Ų49.82%0.02125%0.249CC..Hα-helixtrans-63-37175.4-75.2171.8000111.9P5 A22 G23 L28 F29 Y30 V51 M68P5-L26 HydrophobicContact CB-CD2 3.8Å; P5-L26 HydrophobicContact CG-CD1 4.38Å; P5-L26 HydrophobicContact CG-CD2 3.8Å; A22-L26 WeakPolarHBondContact O-CB 3.43Å; A22-L26 WeakPolarHBondContact O-CG 3.49Å; A22-L26 PolarHBondContact O-N 3.39Å; G23-L26 PolarHBondContact O-N 3.49Å; L26-L28 VanDerWaalsContact C-N 3.32Å; L26-L28 PolarHBondContact O-N 2.84Å; L26-F29 WeakPolarHBondContact O-CB 3.48Å; L26-F29 PolarHBondContact O-N 3.21Å; L26-Y30 HydrophobicContact CB-CD2 4.33Å; L26-Y30 HydrophobicContact CB-CE2 4.35Å; L26-Y30 WeakPolarHBondContact O-CD2 3.27Å; L26-Y30 PolarHBondContact O-N 2.95Å; L26-V51 HydrophobicContact CD1-CG1 4.45Å; L26-M68 HydrophobicContact CB-CE 3.42Å; L26-M68 VanDerWaalsContact CB-CE 3.42Å; L26-M68 HydrophobicContact CD1-CE 4.14Å; L26-M68 HydrophobicContact CG-CE 4.43Å
27L96.3Very high95.8Very high9 Ų952.2 Ų52.25%0.04726%0.261CS..Hα-helixtrans-61-39.2175.5-81.3175.7000112.7G23 Q24 N25 F29 Y30 D31 M68 R70 P72G23-L27 WeakPolarHBondContact O-CB 3.37Å; G23-L27 WeakPolarHBondContact O-CG 3.47Å; G23-L27 PolarHBondContact O-N 3.03Å; Q24-L27 PolarHBondContact O-N 2.9Å; N25-L27 VanDerWaalsContact C-N 3.32Å; N25-L27 PolarHBondContact O-N 3.45Å; L27-F29 VanDerWaalsContact C-N 3.35Å; L27-Y30 PolarHBondContact O-N 3.02Å; L27-D31 WeakPolarHBondContact O-CB 3.41Å; L27-D31 PolarHBondContact O-N 3.2Å; L27-M68 HydrophobicContact CD1-CB 4.05Å; L27-M68 HydrophobicContact CD1-CG 4.25Å; L27-M68 HydrophobicContact CD2-CB 4.36Å; L27-M68 HydrophobicContact CD2-CG 4.29Å; L27-M68 HydrophobicContact CD2-SD 4.2Å; L27-M68 HydrophobicContact CG-CB 4.2Å; L27-M68 HydrophobicContact CG-CE 4.44Å; L27-M68 HydrophobicContact CG-CG 3.94Å; L27-M68 HydrophobicContact CG-SD 4.36Å; L27-R70 HydrophobicContact CD1-CG 4.1Å; L27-R70 WeakPolarHBondContact CD2-O 3.47Å; L27-P72 HydrophobicContact CD2-CG 4.32Å
28L95.6Very high95.9Very high113 Ų11349.6 Ų49.659%0.59225%0.246SC*.Hα-helixtrans-63.7-43.1175.5-65.4173.8000111.5Q24 N25 L26 D31 Y32Q24-L28 PolarHBondContact O-N 3.44Å; N25-L28 PolarHBondContact O-N 3.08Å; L26-L28 VanDerWaalsContact C-N 3.32Å; L26-L28 PolarHBondContact O-N 2.84Å; L28-D31 PolarHBondContact O-N 2.96Å; L28-Y32 PolarHBondContact O-N 3.01Å
29F95.9Very high96Very high86 Ų8652.6 Ų52.638%0.37726%0.257SS..Hα-helixtrans-60.3-48.4174.4165.7-107.6000111.6I2 N25 L26 L27 Y32 L33I2-F29 HydrophobicContact CG2-CE1 4.43Å; N25-F29 PolarHBondContact O-N 3.32Å; L26-F29 WeakPolarHBondContact O-CB 3.48Å; L26-F29 PolarHBondContact O-N 3.21Å; L27-F29 VanDerWaalsContact C-N 3.35Å; F29-Y32 WeakPolarHBondContact O-CB 3.26Å; F29-Y32 PolarHBondContact O-N 3.06Å; F29-L33 HydrophobicContact CD1-CD1 4.15Å; F29-L33 HydrophobicContact CD2-CD1 4.44Å; F29-L33 HydrophobicContact CD2-CG 4.37Å; F29-L33 HydrophobicContact CE1-CD1 3.45Å; F29-L33 VanDerWaalsContact CE1-CD1 3.45Å; F29-L33 HydrophobicContact CE1-CG 4.33Å; F29-L33 HydrophobicContact CE2-CD1 3.79Å; F29-L33 HydrophobicContact CE2-CD2 4.29Å; F29-L33 HydrophobicContact CE2-CG 3.96Å; F29-L33 HydrophobicContact CZ-CD1 3.26Å; F29-L33 HydrophobicContact CZ-CD2 4.47Å; F29-L33 HydrophobicContact CZ-CG 3.97Å; F29-L33 PolarHBondContact O-N 2.77Å
30Y97.2Very high96.2Very high2 Ų258.3 Ų58.31%0.00829%0.293CS..Hα-helixtrans-67.3-37.2179.5-78.9-68.1000112.8I2 L26 L27 Y32 L33 V34 E49 M68 P72I2-Y30 HydrophobicContact CB-CE1 4.07Å; I2-Y30 HydrophobicContact CG1-CE1 3.97Å; L26-Y30 HydrophobicContact CB-CD2 4.33Å; L26-Y30 HydrophobicContact CB-CE2 4.35Å; L26-Y30 WeakPolarHBondContact O-CD2 3.27Å; L26-Y30 PolarHBondContact O-N 2.95Å; L27-Y30 PolarHBondContact O-N 3.02Å; Y30-Y32 VanDerWaalsContact C-N 3.29Å; Y30-Y32 PolarHBondContact O-N 2.83Å; Y30-L33 HydrophobicContact CD1-CD1 4.44Å; Y30-L33 PolarHBondContact O-N 2.77Å; Y30-V34 WeakPolarHBondContact O-CB 3.42Å; Y30-V34 VanDerWaalsContact O-CG2 3.27Å; Y30-V34 WeakPolarHBondContact O-CG2 3.46Å; Y30-V34 PolarHBondContact O-N 2.85Å; Y30-E49 WeakPolarHBondContact CE2-O 3.14Å; Y30-E49 PolarHBondContact OH-N 3.38Å; Y30-E49 PolarHBondContact OH-O 3.37Å; Y30-M68 HydrophobicContact CD2-CE 4.05Å; Y30-M68 HydrophobicContact CE2-CE 4.01Å; Y30-P72 VanDerWaalsContact CB-CG 3.48Å; Y30-P72 HydrophobicContact CD1-CG 4.47Å; Y30-P72 HydrophobicContact CD2-CG 4.39Å; Y30-P72 HydrophobicContact CG-CB 4.48Å; Y30-P72 HydrophobicContact CG-CG 3.92Å
31D97.4Very high96.3Very high11 Ų1158.3 Ų58.36%0.05929%0.292CS..Hα-helixtrans-59.5-42.7175.1-73.9-18.5000111.3L27 L28 N35 R70 G73L27-D31 WeakPolarHBondContact O-CB 3.41Å; L27-D31 PolarHBondContact O-N 3.2Å; L28-D31 PolarHBondContact O-N 2.96Å; D31-N35 WeakPolarHBondContact O-CB 3.43Å; D31-N35 PolarHBondContact O-N 3.07Å; D31-N35 PolarHBondContact O-ND2 3.23Å; D31-R70 VanDerWaalsContact CG-NH1 3.31Å; D31-R70 IonicContact OD1-CZ 3.6Å; D31-R70 IonicContact OD1-NH1 3.42Å; D31-R70 PolarHBondContact OD1-NH1 3.43Å; D31-R70 IonicContact OD1-NH2 3.97Å; D31-R70 IonicContact OD2-CZ 3.57Å; D31-R70 VanDerWaalsContact OD2-CZ 3.26Å; D31-R70 IonicContact OD2-NH1 3.74Å; D31-R70 PolarHBondContact OD2-NH1 3.2Å; D31-R70 IonicContact OD2-NH2 3.05Å; D31-R70 PolarHBondContact OD2-NH2 3.33Å; D31-G73 PolarHBondContact OD1-N 3.4Å
32Y96.3Very high96.3Very high156 Ų15661.5 Ų61.561%0.61230%0.304SS*.Hα-helixtrans-60.3-50.4173.7173.3-95.6000111.3L28 F29 Y30 V34 N35 V36L28-Y32 PolarHBondContact O-N 3.01Å; F29-Y32 WeakPolarHBondContact O-CB 3.26Å; F29-Y32 PolarHBondContact O-N 3.06Å; Y30-Y32 VanDerWaalsContact C-N 3.29Å; Y30-Y32 PolarHBondContact O-N 2.83Å; Y32-V34 PolarHBondContact O-N 3.38Å; Y32-N35 PolarHBondContact O-N 2.65Å; Y32-V36 HydrophobicContact CD1-CG2 4.49Å; Y32-V36 HydrophobicContact CE1-CG2 4Å; Y32-V36 HydrophobicContact CE2-CG2 4.21Å; Y32-V36 WeakPolarHBondContact O-CG2 3.39Å; Y32-V36 PolarHBondContact O-N 3.04Å; Y32-V36 VanDerWaalsContact O-N 3.07Å
33L95.8Very high96.2Very high41 Ų4166.8 Ų66.822%0.21533%0.332CS..Hα-helixtrans-60.4-44179.2-73.6-173.5000112.6I2 F29 Y30 N35 V36 I37I2-L33 HydrophobicContact CD1-CD1 4.28Å; I2-L33 HydrophobicContact CG1-CD1 4.12Å; F29-L33 HydrophobicContact CD1-CD1 4.15Å; F29-L33 HydrophobicContact CD2-CD1 4.44Å; F29-L33 HydrophobicContact CD2-CG 4.37Å; F29-L33 HydrophobicContact CE1-CD1 3.45Å; F29-L33 VanDerWaalsContact CE1-CD1 3.45Å; F29-L33 HydrophobicContact CE1-CG 4.33Å; F29-L33 HydrophobicContact CE2-CD1 3.79Å; F29-L33 HydrophobicContact CE2-CD2 4.29Å; F29-L33 HydrophobicContact CE2-CG 3.96Å; F29-L33 HydrophobicContact CZ-CD1 3.26Å; F29-L33 HydrophobicContact CZ-CD2 4.47Å; F29-L33 HydrophobicContact CZ-CG 3.97Å; F29-L33 PolarHBondContact O-N 2.77Å; Y30-L33 HydrophobicContact CD1-CD1 4.44Å; Y30-L33 PolarHBondContact O-N 2.77Å; L33-N35 VanDerWaalsContact C-N 3.32Å; L33-N35 PolarHBondContact O-N 3.34Å; L33-V36 PolarHBondContact O-N 3.48Å; L33-I37 WeakPolarHBondContact O-CB 3.33Å; L33-I37 VanDerWaalsContact O-CG1 3.3Å; L33-I37 WeakPolarHBondContact O-CG1 3.33Å; L33-I37 PolarHBondContact O-N 3.19Å
34V96.7Very high96.2Very high10 Ų1069.7 Ų69.76%0.06135%0.35CS..Hα-helixtrans-60.4-44.6177.6170.50000110.1Y30 Y32 V36 I37 R38 I46 P72Y30-V34 WeakPolarHBondContact O-CB 3.42Å; Y30-V34 VanDerWaalsContact O-CG2 3.27Å; Y30-V34 WeakPolarHBondContact O-CG2 3.46Å; Y30-V34 PolarHBondContact O-N 2.85Å; Y32-V34 PolarHBondContact O-N 3.38Å; V34-V36 VanDerWaalsContact C-N 3.3Å; V34-V36 PolarHBondContact O-N 3.37Å; V34-I37 PolarHBondContact O-N 3.28Å; V34-R38 HydrophobicContact CG1-CG 3.87Å; V34-R38 WeakPolarHBondContact O-CB 3.14Å; V34-R38 WeakPolarHBondContact O-CG 3.33Å; V34-R38 PolarHBondContact O-N 3.31Å; V34-I46 HydrophobicContact CG2-CB 4.47Å; V34-I46 HydrophobicContact CG2-CD1 4.45Å; V34-I46 HydrophobicContact CG2-CG1 4.03Å; V34-I46 HydrophobicContact CG2-CG2 3.93Å; V34-P72 HydrophobicContact CG2-CB 3.7Å
35N96.1Very high96.3Very high67 Ų6769.3 Ų69.336%0.35835%0.351SS..Hα-helixtrans-59.3-41.4176.9-73-32000112.2D31 Y32 L33 Q39D31-N35 WeakPolarHBondContact O-CB 3.43Å; D31-N35 PolarHBondContact O-N 3.07Å; D31-N35 PolarHBondContact O-ND2 3.23Å; Y32-N35 PolarHBondContact O-N 2.65Å; L33-N35 VanDerWaalsContact C-N 3.32Å; L33-N35 PolarHBondContact O-N 3.34Å; N35-Q39 WeakPolarHBondContact O-CG 3.37Å; N35-Q39 PolarHBondContact O-N 3.03Å
36V96.6Very high96.3Very high60 Ų6067.1 Ų67.136%0.36434%0.339SS..Hα-helixtrans-67.5-51.4176.7174.50000111.3Y32 L33 V34 R38 Q39Y32-V36 HydrophobicContact CD1-CG2 4.49Å; Y32-V36 HydrophobicContact CE1-CG2 4Å; Y32-V36 HydrophobicContact CE2-CG2 4.21Å; Y32-V36 WeakPolarHBondContact O-CG2 3.39Å; Y32-V36 PolarHBondContact O-N 3.04Å; Y32-V36 VanDerWaalsContact O-N 3.07Å; L33-V36 PolarHBondContact O-N 3.48Å; V34-V36 VanDerWaalsContact C-N 3.3Å; V34-V36 PolarHBondContact O-N 3.37Å; V36-R38 VanDerWaalsContact C-N 3.26Å; V36-R38 PolarHBondContact O-N 2.85Å; V36-Q39 WeakPolarHBondContact O-CB 3.38Å; V36-Q39 PolarHBondContact O-N 3.13Å
37I96.2Very high96.3Very high65 Ų6569 Ų6933%0.33335%0.347SS..Hα-helixtrans-57.5-44179.7-69.1164.9000110.1L33 V34 Q39 T40 D41 T44 I46L33-I37 WeakPolarHBondContact O-CB 3.33Å; L33-I37 VanDerWaalsContact O-CG1 3.3Å; L33-I37 WeakPolarHBondContact O-CG1 3.33Å; L33-I37 PolarHBondContact O-N 3.19Å; V34-I37 PolarHBondContact O-N 3.28Å; I37-Q39 PolarHBondContact O-N 3.41Å; I37-Q39 VanDerWaalsContact O-N 3.17Å; I37-T40 PolarHBondContact O-N 3.18Å; I37-D41 PolarHBondContact O-N 3.26Å; I37-T44 HydrophobicContact CG2-CG2 3.84Å; I37-I46 HydrophobicContact CD1-CD1 3.85Å; I37-I46 HydrophobicContact CG2-CD1 4.07Å
38R95.9Very high96.4Very high26 Ų2668.6 Ų68.610%0.09835%0.345CS..Hα-helixtrans-67.3-12.2179.5-65.7-71.2174.5-112.21.1113.2V34 V36 T40 D41 K42 T44V34-R38 HydrophobicContact CG1-CG 3.87Å; V34-R38 WeakPolarHBondContact O-CB 3.14Å; V34-R38 WeakPolarHBondContact O-CG 3.33Å; V34-R38 PolarHBondContact O-N 3.31Å; V36-R38 VanDerWaalsContact C-N 3.26Å; V36-R38 PolarHBondContact O-N 2.85Å; R38-T40 VanDerWaalsContact C-N 3.26Å; R38-D41 WeakPolarHBondContact CA-O 3.42Å; R38-D41 WeakPolarHBondContact CD-O 3.34Å; R38-D41 PolarHBondContact NH1-O 3.48Å; R38-K42 WeakPolarHBondContact O-CD 3.19Å; R38-K42 WeakPolarHBondContact O-CE 3.41Å; R38-K42 PolarHBondContact O-NZ 2.86Å; R38-T44 VanDerWaalsContact CZ-O 3.3Å; R38-T44 PolarHBondContact NH1-O 3.11Å; R38-T44 PolarHBondContact NH2-O 3.27Å
39Q96.5Very high96.4Very high155 Ų15563.3 Ų63.372%0.72432%0.317SS*.Hα-helixtrans-70.4-27.2168.9-70.3171.66.800111.9N35 V36 I37N35-Q39 WeakPolarHBondContact O-CG 3.37Å; N35-Q39 PolarHBondContact O-N 3.03Å; V36-Q39 WeakPolarHBondContact O-CB 3.38Å; V36-Q39 PolarHBondContact O-N 3.13Å; I37-Q39 PolarHBondContact O-N 3.41Å; I37-Q39 VanDerWaalsContact O-N 3.17Å
40T97.5Very high96.3Very high136 Ų13659.3 Ų59.383%0.83430%0.3SS*.Hα-helixtrans-107.1-40.4-177-53.20000112.6I37 R38I37-T40 PolarHBondContact O-N 3.18Å; R38-T40 VanDerWaalsContact C-N 3.26Å
41D96.7Very high96.2Very high68 Ų6859.4 Ų59.436%0.36430%0.301SS..  trans-134.4110.7-175.7-174.8-25.8000110.8I37 R38 D43 T44I37-D41 PolarHBondContact O-N 3.26Å; R38-D41 WeakPolarHBondContact CA-O 3.42Å; R38-D41 WeakPolarHBondContact CD-O 3.34Å; R38-D41 PolarHBondContact NH1-O 3.48Å; D41-D43 PolarHBondContact OD1-N 3.03Å; D41-T44 HydrophobicContact CB-CG2 4.08Å; D41-T44 PolarHBondContact OD1-N 2.85Å; D41-T44 VanDerWaalsContact OD2-CB 3.27Å; D41-T44 WeakPolarHBondContact OD2-CB 3.44Å
42K94.7Very high96Very high127 Ų12761.3 Ų61.355%0.55231%0.313SS*.SBendtrans-79-17.6-176.4-62.2-64.6179.1-174.50113.6R38 K83R38-K42 WeakPolarHBondContact O-CD 3.19Å; R38-K42 WeakPolarHBondContact O-CE 3.41Å; R38-K42 PolarHBondContact O-NZ 2.86Å; K42-K83 PolarHBondContact O-NZ 3.48Å
43D94.9Very high95.9Very high110 Ų11057.7 Ų57.759%0.58830%0.298SS*.SBendtrans-122-21.2-161.1-64.5-48000114.4D41 K83D41-D43 PolarHBondContact OD1-N 3.03Å; D43-K83 WeakPolarHBondContact OD1-CE 3.35Å; D43-K83 IonicContact OD1-NZ 3.56Å; D43-K83 PolarHBondContact OD1-NZ 3.5Å
44T95.5Very high95.8Very high61 Ų6155.7 Ų55.737%0.37429%0.288SS..  trans-56.2142.6179.8-169.40000113.3I37 R38 D41 I46I37-T44 HydrophobicContact CG2-CG2 3.84Å; R38-T44 VanDerWaalsContact CZ-O 3.3Å; R38-T44 PolarHBondContact NH1-O 3.11Å; R38-T44 PolarHBondContact NH2-O 3.27Å; D41-T44 HydrophobicContact CB-CG2 4.08Å; D41-T44 PolarHBondContact OD1-N 2.85Å; D41-T44 VanDerWaalsContact OD2-CB 3.27Å; D41-T44 WeakPolarHBondContact OD2-CB 3.44Å; T44-I46 HydrophobicContact CG2-CD1 4.44Å
45L96.4Very high95.8Very high88 Ų8855.3 Ų55.346%0.46129%0.286SS..  trans-70.8132.9176.5-62.9-179.7000110.9F47 K83 V85L45-F47 HydrophobicContact CB-CD2 4.26Å; L45-F47 HydrophobicContact CB-CE2 3.91Å; L45-F47 HydrophobicContact CD1-CE2 4.35Å; L45-K83 WeakPolarHBondContact CA-O 3.47Å; L45-V85 HydrophobicContact CB-CG2 4.35Å; L45-V85 HydrophobicContact CD1-CG2 4.23Å
46I96.9Very high95.7Very high14 Ų1454.2 Ų54.27%0.07228%0.277CS..EExtended strand (participates in β ladder)trans-96.5106.5174.9-55.3-62.2000108.8V34 I37 T44 Y48 K83 S84 V85V34-I46 HydrophobicContact CG2-CB 4.47Å; V34-I46 HydrophobicContact CG2-CD1 4.45Å; V34-I46 HydrophobicContact CG2-CG1 4.03Å; V34-I46 HydrophobicContact CG2-CG2 3.93Å; I37-I46 HydrophobicContact CD1-CD1 3.85Å; I37-I46 HydrophobicContact CG2-CD1 4.07Å; T44-I46 HydrophobicContact CG2-CD1 4.44Å; I46-Y48 PolarHBondContact O-N 2.99Å; I46-K83 PolarHBondContact N-O 3.35Å; I46-S84 CarbonylContact O-C 3.55Å; I46-S84 WeakPolarHBondContact O-CA 3.3Å; I46-V85 PolarHBondContact O-N 2.97Å
47F97.5Very high95.7Very high43 Ų4356.2 Ų56.219%0.18928%0.281CS..EExtended strand (participates in β ladder)trans-82.3110.9168.9-74.4-113.9000108.3M1 L45 V85 F136 T138M1-F47 HydrophobicContact CB-CB 3.82Å; M1-F47 HydrophobicContact CB-CG 4.43Å; M1-F47 HydrophobicContact CG-CB 4.07Å; L45-F47 HydrophobicContact CB-CD2 4.26Å; L45-F47 HydrophobicContact CB-CE2 3.91Å; L45-F47 HydrophobicContact CD1-CE2 4.35Å; F47-V85 WeakPolarHBondContact CA-O 3.16Å; F47-V85 HydrophobicContact CD1-CB 4.15Å; F47-V85 HydrophobicContact CD1-CG1 3.97Å; F47-V85 HydrophobicContact CD2-CB 4.28Å; F47-V85 HydrophobicContact CD2-CG2 4.49Å; F47-V85 HydrophobicContact CE1-CB 4.22Å; F47-V85 HydrophobicContact CE1-CG1 3.78Å; F47-V85 HydrophobicContact CE2-CB 4.32Å; F47-V85 HydrophobicContact CE2-CG2 4.2Å; F47-V85 HydrophobicContact CG-CB 4.18Å; F47-V85 HydrophobicContact CZ-CB 4.3Å; F47-V85 HydrophobicContact CZ-CG1 4.14Å; F47-V85 HydrophobicContact CZ-CG2 4.3Å; F47-F136 HydrophobicContact CD1-CB 4.34Å; F47-F136 HydrophobicContact CE1-CB 3.73Å; F47-F136 HydrophobicContact CE1-CD1 4.26Å; F47-F136 AromaticContact CE1-CD2 3.81Å; F47-F136 HydrophobicContact CE1-CD2 3.81Å; F47-F136 HydrophobicContact CE1-CE2 4.48Å; F47-F136 AromaticContact CE1-CG 3.68Å; F47-F136 HydrophobicContact CE1-CG 3.68Å; F47-F136 HydrophobicContact CZ-CD2 4.14Å; F47-F136 HydrophobicContact CZ-CG 4.47Å; F47-T138 HydrophobicContact CD1-CG2 4.05Å; F47-T138 HydrophobicContact CE1-CG2 4.35Å
48Y97.3Very high95.6Very high1 Ų156.4 Ų56.40%0.00429%0.286CS..EExtended strand (participates in β ladder)trans-116.4147.6-179.672.8-84.7000110.1I46 M68 V71 P72 V85 L86 S87I46-Y48 PolarHBondContact O-N 2.99Å; Y48-M68 HydrophobicContact CD2-SD 3.65Å; Y48-M68 HydrophobicContact CE2-SD 3.78Å; Y48-V71 HydrophobicContact CE1-CB 4.41Å; Y48-V71 HydrophobicContact CE1-CG1 4.12Å; Y48-P72 HydrophobicContact CD1-CG 4.11Å; Y48-P72 HydrophobicContact CD2-CG 4.13Å; Y48-P72 HydrophobicContact CG-CG 3.71Å; Y48-V85 WeakPolarHBondContact CD1-O 3.2Å; Y48-V85 VanDerWaalsContact CE1-C 3.46Å; Y48-V85 WeakPolarHBondContact CE1-O 3.48Å; Y48-V85 PolarHBondContact N-O 3.17Å; Y48-L86 HydrophobicContact CD2-CD1 4.26Å; Y48-L86 HydrophobicContact CE1-CB 4.31Å; Y48-L86 HydrophobicContact CE2-CB 4.44Å; Y48-L86 HydrophobicContact CE2-CD1 3.71Å; Y48-S87 VanDerWaalsContact O-CB 3.29Å; Y48-S87 WeakPolarHBondContact O-CB 3.07Å; Y48-S87 PolarHBondContact O-N 3.3Å
49E96.5Very high95.5Very high2 Ų258.4 Ų58.41%0.00930%0.296CS..EExtended strand (participates in β ladder)trans-132.2143.7-173.3-157.2-172.3138.600109.3E4 P5 Y30 T52 M68 S87 H89E4-E49 PolarHBondContact N-OE2 2.83Å; P5-E49 HydrophobicContact CG-CB 4.49Å; Y30-E49 WeakPolarHBondContact CE2-O 3.14Å; Y30-E49 PolarHBondContact OH-N 3.38Å; Y30-E49 PolarHBondContact OH-O 3.37Å; E49-T52 VanDerWaalsContact OE1-CG2 3.22Å; E49-T52 WeakPolarHBondContact OE1-CG2 3.29Å; E49-M68 VanDerWaalsContact O-CE 3.26Å; E49-M68 WeakPolarHBondContact O-CE 3.48Å; E49-S87 WeakPolarHBondContact CG-O 3.39Å; E49-H89 IonicContact OE1-CE1 3.26Å; E49-H89 IonicContact OE1-ND1 3.04Å; E49-H89 IonicContact OE2-CE1 3.31Å; E49-H89 IonicContact OE2-NE2 3.76Å
50S94.8Very high95.3Very high2 Ų255.4 Ų55.41%0.01429%0.288CS..  trans-80.3-172.8164.764.60000110.3T52 T66S50-T52 PolarHBondContact O-N 3.45Å; S50-T66 WeakPolarHBondContact OG-CG2 3.47Å
51V94.7Very high95Very high5 Ų556.6 Ų56.63%0.0329%0.289CS..  trans-54.1137.2156.1-730000109.1P7 P19 A22 L26 Y53 G54P7-V51 HydrophobicContact CB-CG1 3.67Å; P7-V51 HydrophobicContact CG-CG1 4.1Å; P19-V51 HydrophobicContact CB-CG2 4.3Å; A22-V51 HydrophobicContact CB-CG1 3.68Å; A22-V51 HydrophobicContact CB-CG2 4.1Å; L26-V51 HydrophobicContact CD1-CG1 4.45Å; V51-Y53 HydrophobicContact CB-CD1 4.3Å; V51-Y53 HydrophobicContact CB-CE1 3.85Å; V51-Y53 HydrophobicContact CB-CE2 4.14Å; V51-Y53 HydrophobicContact CG1-CE1 4.36Å; V51-Y53 HydrophobicContact CG2-CD2 4.07Å; V51-Y53 HydrophobicContact CG2-CE1 4.32Å; V51-Y53 HydrophobicContact CG2-CE2 3.69Å; V51-Y53 PolarHBondContact O-N 3.36Å; V51-Y53 VanDerWaalsContact O-N 3.13Å; V51-G54 PolarHBondContact O-N 3.2Å
52T93.1Very high94.7Very high50 Ų5056.1 Ų56.131%0.30730%0.3SS..G310 helixtrans-53.2-38.3-172.650.30000112.8E4 E49 S50 G54 I55E4-T52 HydrophobicContact CB-CG2 4.01Å; E4-T52 HydrophobicContact CG-CG2 3.56Å; E4-T52 WeakPolarHBondContact OE1-CG2 3.39Å; E49-T52 VanDerWaalsContact OE1-CG2 3.22Å; E49-T52 WeakPolarHBondContact OE1-CG2 3.29Å; S50-T52 PolarHBondContact O-N 3.45Å; T52-G54 VanDerWaalsContact C-N 3.35Å; T52-G54 PolarHBondContact O-N 2.98Å; T52-I55 WeakPolarHBondContact O-CG1 3.14Å
53Y93.6Very high94.6Very high80 Ų8052.2 Ų52.231%0.31429%0.285SS..G310 helixtrans-79.5-11.717953.5-94.2000114.6L17 P19 V51 I55 Y56 F57L17-Y53 WeakPolarHBondContact CA-OH 3.32Å; L17-Y53 WeakPolarHBondContact O-CE2 3.38Å; L17-Y53 PolarHBondContact O-OH 3.17Å; P19-Y53 HydrophobicContact CG-CD2 4.14Å; P19-Y53 HydrophobicContact CG-CE2 3.87Å; V51-Y53 HydrophobicContact CB-CD1 4.3Å; V51-Y53 HydrophobicContact CB-CE1 3.85Å; V51-Y53 HydrophobicContact CB-CE2 4.14Å; V51-Y53 HydrophobicContact CG1-CE1 4.36Å; V51-Y53 HydrophobicContact CG2-CD2 4.07Å; V51-Y53 HydrophobicContact CG2-CE1 4.32Å; V51-Y53 HydrophobicContact CG2-CE2 3.69Å; V51-Y53 PolarHBondContact O-N 3.36Å; V51-Y53 VanDerWaalsContact O-N 3.13Å; Y53-I55 VanDerWaalsContact C-N 3.26Å; Y53-I55 PolarHBondContact O-N 2.84Å; Y53-Y56 PolarHBondContact O-N 2.78Å; Y53-Y56 VanDerWaalsContact O-N 3.11Å; Y53-F57 AromaticContact CD2-CE2 3.93Å; Y53-F57 HydrophobicContact CD2-CE2 3.93Å; Y53-F57 WeakPolarHBondContact O-CD2 3.49Å
54G94.6Very high94.6Very high0 Ų047.1 Ų47.10%026%0.258CS..G310 helixtrans-63.7-29.2-174.200000113.7V51 T52 Y56 F57 G65 T66V51-G54 PolarHBondContact O-N 3.2Å; T52-G54 VanDerWaalsContact C-N 3.35Å; T52-G54 PolarHBondContact O-N 2.98Å; G54-Y56 PolarHBondContact O-N 3.18Å; G54-F57 PolarHBondContact O-N 3.02Å; G54-G65 CarbonylContact O-C 3.59Å; G54-T66 PolarHBondContact O-N 2.83Å
55I95.3Very high94.6Very high2 Ų244.6 Ų44.61%0.0124%0.244CC..G310 helixtrans-68.3-14.7176.658.6115.6000113.9T52 Y53 T66 Y88 H89 T120 N123 V124 I127T52-I55 WeakPolarHBondContact O-CG1 3.14Å; Y53-I55 VanDerWaalsContact C-N 3.26Å; Y53-I55 PolarHBondContact O-N 2.84Å; I55-T66 HydrophobicContact CG2-CG2 3.97Å; I55-Y88 HydrophobicContact CD1-CD2 4.34Å; I55-H89 WeakPolarHBondContact CD1-O 3.39Å; I55-T120 HydrophobicContact CD1-CG2 3.41Å; I55-T120 VanDerWaalsContact CD1-CG2 3.41Å; I55-N123 PolarHBondContact O-ND2 2.03Å; I55-V124 HydrophobicContact CB-CG2 4.29Å; I55-V124 HydrophobicContact CG2-CG2 4.29Å; I55-I127 HydrophobicContact CG2-CD1 4.38Å
56Y95.1Very high94.5Very high44 Ų4440.5 Ų40.517%0.17322%0.222CC..G310 helixtrans-89.5-5.6175.2-58.3-71.5000113.4Y53 G54 Y91 W93 L116 Y119 T120Y53-Y56 PolarHBondContact O-N 2.78Å; Y53-Y56 VanDerWaalsContact O-N 3.11Å; G54-Y56 PolarHBondContact O-N 3.18Å; Y56-Y91 PolarHBondContact OH-N 2.93Å; Y56-W93 HydrophobicContact CD1-CZ3 4.28Å; Y56-W93 HydrophobicContact CD2-CZ3 4.34Å; Y56-W93 HydrophobicContact CE1-CZ3 4.33Å; Y56-W93 HydrophobicContact CE2-CZ3 4.41Å; Y56-W93 HydrophobicContact CG-CZ3 4.27Å; Y56-L116 HydrophobicContact CD1-CD1 3.77Å; Y56-L116 HydrophobicContact CE1-CD1 3.8Å; Y56-L116 HydrophobicContact CE1-CG 4.34Å; Y56-Y119 WeakPolarHBondContact O-CE1 3.22Å; Y56-Y119 PolarHBondContact O-OH 2.83Å; Y56-T120 HydrophobicContact CE1-CG2 4.31Å; Y56-T120 VanDerWaalsContact CE1-OG1 3.24Å; Y56-T120 WeakPolarHBondContact CE1-OG1 3.5Å
57F95.1Very high94.5Very high101 Ų10139.8 Ų39.844%0.44322%0.219SC..SBendtrans-92.5143.2178.4-74.8-100.3000111.3P19 Y53 G54 G65 N123P19-F57 HydrophobicContact CG-CD1 4.48Å; P19-F57 HydrophobicContact CG-CD2 3.89Å; P19-F57 HydrophobicContact CG-CE2 4.06Å; P19-F57 HydrophobicContact CG-CG 4.12Å; P19-F57 HydrophobicContact CG-CZ 4.41Å; Y53-F57 AromaticContact CD2-CE2 3.93Å; Y53-F57 HydrophobicContact CD2-CE2 3.93Å; Y53-F57 WeakPolarHBondContact O-CD2 3.49Å; G54-F57 PolarHBondContact O-N 3.02Å; F57-G65 WeakPolarHBondContact O-CA 3.41Å; F57-N123 PolarHBondContact O-ND2 2.77Å
58P94.3Very high94.4Very high69 Ų6937.9 Ų37.945%0.44821%0.21SC..PPolyproline II helixtrans-74.5169178.633-36.6000111.5G65 Y119P58-G65 WeakPolarHBondContact O-CA 3.47Å; P58-G65 PolarHBondContact O-N 3.16Å; P58-Y119 WeakPolarHBondContact CA-OH 3.49Å
59F94.6Very high94.3Very high69 Ų6942.6 Ų42.630%0.30323%0.232SC..PPolyproline II helixtrans-66.1136.7166.3-77.3-116000110.7I63 P64 S126 I127F59-I63 CarbonylContact C-O 3.58Å; F59-I63 WeakPolarHBondContact CA-O 3.15Å; F59-P64 HydrophobicContact CD1-CB 4.37Å; F59-P64 HydrophobicContact CD1-CG 4.24Å; F59-P64 HydrophobicContact CE1-CB 3.89Å; F59-P64 HydrophobicContact CE1-CG 3.56Å; F59-P64 HydrophobicContact CE2-CB 4.27Å; F59-P64 HydrophobicContact CZ-CB 3.83Å; F59-P64 HydrophobicContact CZ-CG 3.85Å; F59-S126 WeakPolarHBondContact CZ-O 3.45Å; F59-I127 HydrophobicContact CE2-CG1 3.99Å; F59-I127 HydrophobicContact CZ-CG1 4.2Å
60V92Very high94.3Very high91 Ų9144.5 Ų44.555%0.55224%0.24SC*.BIsolated β-bridgetrans-126.8121174.1-178.40000108.3G62 I63V60-G62 PolarHBondContact O-N 3.48Å; V60-I63 PolarHBondContact N-O 3.24Å; V60-I63 WeakPolarHBondContact O-CB 3.44Å; V60-I63 PolarHBondContact O-N 3.05Å
61N91Very high94.5Very high162 Ų16244.4 Ų44.487%0.86624%0.239SC*.THydrogen-bonded Turntrans52.238.5-177.3-58.7-31000113.4I63N61-I63 PolarHBondContact O-N 3.42Å
62G90.5Very high94.6Very high58 Ų5844.1 Ų44.160%0.59824%0.237SC*.THydrogen-bonded Turntrans78.5-2.7-178.400000115.1V60V60-G62 PolarHBondContact O-N 3.48Å
63I93.2Very high94.8Very high45 Ų4541.9 Ų41.923%0.23122%0.224CC..BIsolated β-bridgetrans-88127.1176.3-56.4176.1000108.7F59 V60 N61 Q69F59-I63 CarbonylContact C-O 3.58Å; F59-I63 WeakPolarHBondContact CA-O 3.15Å; V60-I63 PolarHBondContact N-O 3.24Å; V60-I63 WeakPolarHBondContact O-CB 3.44Å; V60-I63 PolarHBondContact O-N 3.05Å; N61-I63 PolarHBondContact O-N 3.42Å; I63-Q69 HydrophobicContact CG2-CG 3.98Å
64P95.4Very high95Very high3 Ų339.5 Ų39.52%0.01922%0.217CC..  trans-58.6149175.3-22.432.6000112.4F59 T66 G67 M68 I127F59-P64 HydrophobicContact CD1-CB 4.37Å; F59-P64 HydrophobicContact CD1-CG 4.24Å; F59-P64 HydrophobicContact CE1-CB 3.89Å; F59-P64 HydrophobicContact CE1-CG 3.56Å; F59-P64 HydrophobicContact CE2-CB 4.27Å; F59-P64 HydrophobicContact CZ-CB 3.83Å; F59-P64 HydrophobicContact CZ-CG 3.85Å; P64-T66 PolarHBondContact O-N 3.18Å; P64-G67 PolarHBondContact O-N 3.43Å; P64-M68 WeakPolarHBondContact CG-O 3.24Å; P64-I127 HydrophobicContact CB-CG1 4.04Å; P64-I127 HydrophobicContact CB-CG2 4.36Å
65G93.9Very high95Very high8 Ų845.2 Ų45.28%0.08225%0.247CC..THydrogen-bonded Turntrans-59-19.6178.600000114.3P19 G54 F57 P58 G67P19-G65 WeakPolarHBondContact CB-O 3.46Å; G54-G65 CarbonylContact O-C 3.59Å; F57-G65 WeakPolarHBondContact O-CA 3.41Å; P58-G65 WeakPolarHBondContact O-CA 3.47Å; P58-G65 PolarHBondContact O-N 3.16Å; G65-G67 PolarHBondContact O-N 2.81Å
66T95.8Very high95Very high1 Ų150.3 Ų50.31%0.00627%0.27CS..THydrogen-bonded Turntrans-72.5-13.7172.960.30000113.9P19 G23 S50 G54 I55 P64 M68 I127P19-T66 CarbonylContact O-C 3.31Å; G23-T66 VanDerWaalsContact CA-O 3.29Å; G23-T66 WeakPolarHBondContact CA-O 2.89Å; S50-T66 WeakPolarHBondContact OG-CG2 3.47Å; G54-T66 PolarHBondContact O-N 2.83Å; I55-T66 HydrophobicContact CG2-CG2 3.97Å; P64-T66 PolarHBondContact O-N 3.18Å; T66-M68 PolarHBondContact O-N 2.9Å; T66-M68 PolarHBondContact OG1-N 3Å; T66-I127 HydrophobicContact CG2-CD1 3.65Å; T66-I127 HydrophobicContact CG2-CG1 4.37Å; T66-I127 HydrophobicContact CG2-CG2 4.42Å
67G95.9Very high95Very high0 Ų051.4 Ų51.40%028%0.279CS..SBendtrans73.6-9-169.800000115P64 G65P64-G67 PolarHBondContact O-N 3.43Å; G65-G67 PolarHBondContact O-N 2.81Å
68M95.7Very high94.9Very high2 Ų254.8 Ų54.81%0.0130%0.296CS..  trans-88.4114-179-61.4-167.9163.300110.3L26 L27 Y30 Y48 E49 P64 T66 T131L26-M68 HydrophobicContact CB-CE 3.42Å; L26-M68 VanDerWaalsContact CB-CE 3.42Å; L26-M68 HydrophobicContact CD1-CE 4.14Å; L26-M68 HydrophobicContact CG-CE 4.43Å; L27-M68 HydrophobicContact CD1-CB 4.05Å; L27-M68 HydrophobicContact CD1-CG 4.25Å; L27-M68 HydrophobicContact CD2-CB 4.36Å; L27-M68 HydrophobicContact CD2-CG 4.29Å; L27-M68 HydrophobicContact CD2-SD 4.2Å; L27-M68 HydrophobicContact CG-CB 4.2Å; L27-M68 HydrophobicContact CG-CE 4.44Å; L27-M68 HydrophobicContact CG-CG 3.94Å; L27-M68 HydrophobicContact CG-SD 4.36Å; Y30-M68 HydrophobicContact CD2-CE 4.05Å; Y30-M68 HydrophobicContact CE2-CE 4.01Å; Y48-M68 HydrophobicContact CD2-SD 3.65Å; Y48-M68 HydrophobicContact CE2-SD 3.78Å; E49-M68 VanDerWaalsContact O-CE 3.26Å; E49-M68 WeakPolarHBondContact O-CE 3.48Å; P64-M68 WeakPolarHBondContact CG-O 3.24Å; T66-M68 PolarHBondContact O-N 2.9Å; T66-M68 PolarHBondContact OG1-N 3Å; M68-T131 WeakPolarHBondContact O-CG2 3.39Å
69Q95.6Very high95Very high100 Ų10055.5 Ų55.547%0.46730%0.295SS..  trans-95.2-2.5-176.6-63174.619.300113.7I63I63-Q69 HydrophobicContact CG2-CG 3.98Å
70R96.8Very high95.1Very high42 Ų4252.6 Ų52.616%0.15828%0.283CS..SBendtrans-156.5164.9-178.655.3174.7177.282.3-1109.8L27 D31 L74 L75L27-R70 HydrophobicContact CD1-CG 4.1Å; L27-R70 WeakPolarHBondContact CD2-O 3.47Å; D31-R70 VanDerWaalsContact CG-NH1 3.31Å; D31-R70 IonicContact OD1-CZ 3.6Å; D31-R70 IonicContact OD1-NH1 3.42Å; D31-R70 PolarHBondContact OD1-NH1 3.43Å; D31-R70 IonicContact OD1-NH2 3.97Å; D31-R70 IonicContact OD2-CZ 3.57Å; D31-R70 VanDerWaalsContact OD2-CZ 3.26Å; D31-R70 IonicContact OD2-NH1 3.74Å; D31-R70 PolarHBondContact OD2-NH1 3.2Å; D31-R70 IonicContact OD2-NH2 3.05Å; D31-R70 PolarHBondContact OD2-NH2 3.33Å; R70-L74 HydrophobicContact CB-CB 4.41Å; R70-L74 HydrophobicContact CB-CD2 3.71Å; R70-L75 VanDerWaalsContact NH2-CD1 3.34Å
71V97.6Very high95.3Very high0 Ų054 Ų540%028%0.279CS..  trans-71.9153.8166.3-57.90000111.1Y48 L74 A80 R81 G132Y48-V71 HydrophobicContact CE1-CB 4.41Å; Y48-V71 HydrophobicContact CE1-CG1 4.12Å; V71-L74 HydrophobicContact CG2-CB 3.93Å; V71-L74 HydrophobicContact CG2-CD1 4.41Å; V71-L74 WeakPolarHBondContact O-CB 3.47Å; V71-L74 PolarHBondContact O-N 3.36Å; V71-A80 HydrophobicContact CG2-CB 4.07Å; V71-R81 HydrophobicContact CG1-CG 4.48Å; V71-R81 HydrophobicContact CG2-CG 3.8Å; V71-G132 WeakPolarHBondContact CG1-O 3.24Å
72P97.4Very high95.6Very high0 Ų053.9 Ų53.90%027%0.27CS..THydrogen-bonded Turntrans-55.1143.4168.7-3139.9000114L27 Y30 V34 Y48 L74 A80L27-P72 HydrophobicContact CD2-CG 4.32Å; Y30-P72 VanDerWaalsContact CB-CG 3.48Å; Y30-P72 HydrophobicContact CD1-CG 4.47Å; Y30-P72 HydrophobicContact CD2-CG 4.39Å; Y30-P72 HydrophobicContact CG-CB 4.48Å; Y30-P72 HydrophobicContact CG-CG 3.92Å; V34-P72 HydrophobicContact CG2-CB 3.7Å; Y48-P72 HydrophobicContact CD1-CG 4.11Å; Y48-P72 HydrophobicContact CD2-CG 4.13Å; Y48-P72 HydrophobicContact CG-CG 3.71Å; P72-L74 PolarHBondContact O-N 3.09Å; P72-A80 WeakPolarHBondContact O-CB 3.48Å
73G96.9Very high95.9Very high2 Ų253 Ų532%0.02125%0.25CS..THydrogen-bonded Turntrans75.7-4.4178.200000115.3D31 L75 Q76 D77D31-G73 PolarHBondContact OD1-N 3.4Å; G73-L75 PolarHBondContact O-N 3.38Å; G73-L75 VanDerWaalsContact O-N 3.17Å; G73-Q76 PolarHBondContact O-N 3.11Å; G73-Q76 PolarHBondContact O-OE1 3.24Å; G73-D77 PolarHBondContact O-N 3.07Å
74L97.1Very high96.1Very high31 Ų3151 Ų5116%0.16224%0.24CC..THydrogen-bonded Turntrans-61.1-27.8-176.4-173.462.8000113.6R70 V71 P72 Q76 R81R70-L74 HydrophobicContact CB-CB 4.41Å; R70-L74 HydrophobicContact CB-CD2 3.71Å; V71-L74 HydrophobicContact CG2-CB 3.93Å; V71-L74 HydrophobicContact CG2-CD1 4.41Å; V71-L74 WeakPolarHBondContact O-CB 3.47Å; V71-L74 PolarHBondContact O-N 3.36Å; P72-L74 PolarHBondContact O-N 3.09Å; L74-Q76 PolarHBondContact O-N 3.36Å; L74-R81 HydrophobicContact CD1-CG 4.04Å
75L95.7Very high96.2Very high120 Ų12051.5 Ų51.563%0.62824%0.243SC*.THydrogen-bonded Turntrans-69.8-19.4178.9-63-179.4000112.7R70 G73R70-L75 VanDerWaalsContact NH2-CD1 3.34Å; G73-L75 PolarHBondContact O-N 3.38Å; G73-L75 VanDerWaalsContact O-N 3.17Å
76Q94.7Very high96.4Very high109 Ų10951.2 Ų51.251%0.50924%0.239SC..THydrogen-bonded Turntrans-108.8-30.1-178.3-63.678.916.700112.4G73 L74G73-Q76 PolarHBondContact O-N 3.11Å; G73-Q76 PolarHBondContact O-OE1 3.24Å; L74-Q76 PolarHBondContact O-N 3.36Å
77D95.2Very high96.5Very high67 Ų6751.1 Ų51.136%0.35824%0.239SC..  trans-142.1114.3-176.8-179.410.3000111.5G73 M79 A80G73-D77 PolarHBondContact O-N 3.07Å; D77-M79 PolarHBondContact O-N 2.99Å; D77-M79 VanDerWaalsContact OD1-CB 3.27Å; D77-M79 WeakPolarHBondContact OD1-CB 3.48Å; D77-M79 PolarHBondContact OD1-N 3.27Å; D77-A80 WeakPolarHBondContact O-CB 3.28Å; D77-A80 PolarHBondContact O-N 3.04Å
78E93.7Very high96.5Very high171 Ų17151.3 Ų51.380%0.79924%0.24SC*.G310 helixtrans-61.2-24.8176-65.8-168.4162.300112.9A80E78-A80 PolarHBondContact O-N 2.72Å
79M95.2Very high96.6Very high85 Ų8551.4 Ų51.442%0.41924%0.24SC..G310 helixtrans-77.4-6.3177.7-65.1-70.7-73.700112.9D77 R81 K82D77-M79 PolarHBondContact O-N 2.99Å; D77-M79 VanDerWaalsContact OD1-CB 3.27Å; D77-M79 WeakPolarHBondContact OD1-CB 3.48Å; D77-M79 PolarHBondContact OD1-N 3.27Å; M79-R81 PolarHBondContact O-N 3.37Å; M79-R81 VanDerWaalsContact O-N 3.12Å; M79-K82 HydrophobicContact CE-CD 3.6Å; M79-K82 PolarHBondContact O-N 2.82Å; M79-K82 HydrophobicContact SD-CD 4.02Å
80A97.1Very high96.6Very high7 Ų746.8 Ų46.86%0.05822%0.218CC..G310 helixtrans-54.1-33.4176.700000112.6V71 P72 D77 E78 K82 K83 S84V71-A80 HydrophobicContact CG2-CB 4.07Å; P72-A80 WeakPolarHBondContact O-CB 3.48Å; D77-A80 WeakPolarHBondContact O-CB 3.28Å; D77-A80 PolarHBondContact O-N 3.04Å; E78-A80 PolarHBondContact O-N 2.72Å; A80-K82 PolarHBondContact O-N 3.26Å; A80-K83 CarbonylContact O-C 3.54Å; A80-K83 PolarHBondContact O-N 2.75Å; A80-S84 WeakPolarHBondContact O-CB 3.08Å; A80-S84 PolarHBondContact O-N 2.82Å; A80-S84 VanDerWaalsContact O-N 3.11Å; A80-S84 PolarHBondContact O-OG 2.82Å
81R97Very high96.6Very high122 Ų12246.6 Ų46.646%0.4622%0.218SC..G310 helixtrans-60.2-30175.2-76.1177.7176.7147.5-1.4113.7V71 L74 M79 K83 T131 G133V71-R81 HydrophobicContact CG1-CG 4.48Å; V71-R81 HydrophobicContact CG2-CG 3.8Å; L74-R81 HydrophobicContact CD1-CG 4.04Å; M79-R81 PolarHBondContact O-N 3.37Å; M79-R81 VanDerWaalsContact O-N 3.12Å; R81-K83 PolarHBondContact O-N 3.07Å; R81-T131 PolarHBondContact NE-O 2.99Å; R81-G133 VanDerWaalsContact O-CA 3.25Å; R81-G133 WeakPolarHBondContact O-CA 3.48Å
82K96.7Very high96.5Very high158 Ų15846.9 Ų46.969%0.68722%0.22SC*.G310 helixtrans-80.8-8.1177.9-58.5-169-171.51720112.8M79 A80M79-K82 HydrophobicContact CE-CD 3.6Å; M79-K82 PolarHBondContact O-N 2.82Å; M79-K82 HydrophobicContact SD-CD 4.02Å; A80-K82 PolarHBondContact O-N 3.26Å
83K96.5Very high96.3Very high41 Ų4153.2 Ų53.218%0.17824%0.244CC..G310 helixtrans-129.216.7-171.8-60.4178173.3-1790112.8K42 D43 L45 I46 A80 R81K42-K83 PolarHBondContact O-NZ 3.48Å; D43-K83 WeakPolarHBondContact OD1-CE 3.35Å; D43-K83 IonicContact OD1-NZ 3.56Å; D43-K83 PolarHBondContact OD1-NZ 3.5Å; L45-K83 WeakPolarHBondContact CA-O 3.47Å; I46-K83 PolarHBondContact N-O 3.35Å; A80-K83 CarbonylContact O-C 3.54Å; A80-K83 PolarHBondContact O-N 2.75Å; R81-K83 PolarHBondContact O-N 3.07Å
84S97.6Very high96.1Very high3 Ų355.4 Ų55.42%0.02126%0.255CS..EExtended strand (participates in β ladder)trans-125.6137.4-178.8-58.50000110.1I46 A80 G133 G134I46-S84 CarbonylContact O-C 3.55Å; I46-S84 WeakPolarHBondContact O-CA 3.3Å; A80-S84 WeakPolarHBondContact O-CB 3.08Å; A80-S84 PolarHBondContact O-N 2.82Å; A80-S84 VanDerWaalsContact O-N 3.11Å; A80-S84 PolarHBondContact O-OG 2.82Å; S84-G133 CarbonylContact O-C 3.59Å; S84-G133 VanDerWaalsContact O-CA 3.23Å; S84-G133 WeakPolarHBondContact O-CA 3.3Å; S84-G134 PolarHBondContact O-N 2.77Å
85V97.9Very high96Very high13 Ų1354.6 Ų54.68%0.07925%0.251CS..EExtended strand (participates in β ladder)trans-129.9123.1-176.9-176.40000108.1L45 I46 F47 Y48 S87 G134 F136L45-V85 HydrophobicContact CB-CG2 4.35Å; L45-V85 HydrophobicContact CD1-CG2 4.23Å; I46-V85 PolarHBondContact O-N 2.97Å; F47-V85 WeakPolarHBondContact CA-O 3.16Å; F47-V85 HydrophobicContact CD1-CB 4.15Å; F47-V85 HydrophobicContact CD1-CG1 3.97Å; F47-V85 HydrophobicContact CD2-CB 4.28Å; F47-V85 HydrophobicContact CD2-CG2 4.49Å; F47-V85 HydrophobicContact CE1-CB 4.22Å; F47-V85 HydrophobicContact CE1-CG1 3.78Å; F47-V85 HydrophobicContact CE2-CB 4.32Å; F47-V85 HydrophobicContact CE2-CG2 4.2Å; F47-V85 HydrophobicContact CG-CB 4.18Å; F47-V85 HydrophobicContact CZ-CB 4.3Å; F47-V85 HydrophobicContact CZ-CG1 4.14Å; F47-V85 HydrophobicContact CZ-CG2 4.3Å; Y48-V85 WeakPolarHBondContact CD1-O 3.2Å; Y48-V85 VanDerWaalsContact CE1-C 3.46Å; Y48-V85 WeakPolarHBondContact CE1-O 3.48Å; Y48-V85 PolarHBondContact N-O 3.17Å; V85-S87 PolarHBondContact O-N 2.67Å; V85-G134 WeakPolarHBondContact CA-O 2.96Å; V85-F136 HydrophobicContact CG1-CB 3.61Å
86L97.7Very high95.7Very high1 Ų155.1 Ų55.11%0.00525%0.25CC..EExtended strand (participates in β ladder)trans-70.6111.2171.1178.163.9000108.7Y48 V124 I127 V128 G134 R135 F136Y48-L86 HydrophobicContact CD2-CD1 4.26Å; Y48-L86 HydrophobicContact CE1-CB 4.31Å; Y48-L86 HydrophobicContact CE2-CB 4.44Å; Y48-L86 HydrophobicContact CE2-CD1 3.71Å; L86-V124 HydrophobicContact CD2-CG1 4.18Å; L86-I127 HydrophobicContact CD2-CB 4.22Å; L86-I127 HydrophobicContact CD2-CG2 3.72Å; L86-V128 HydrophobicContact CB-CG2 3.89Å; L86-V128 HydrophobicContact CD2-CG2 3.82Å; L86-G134 PolarHBondContact N-O 2.98Å; L86-R135 WeakPolarHBondContact O-CA 3.43Å; L86-F136 PolarHBondContact O-N 2.97Å
87S97.8Very high95.3Very high0 Ų054.8 Ų54.80%026%0.26CS..EExtended strand (participates in β ladder)trans-76.4136.3166-139.20000108.5Y48 E49 V85 T138Y48-S87 VanDerWaalsContact O-CB 3.29Å; Y48-S87 WeakPolarHBondContact O-CB 3.07Å; Y48-S87 PolarHBondContact O-N 3.3Å; E49-S87 WeakPolarHBondContact CG-O 3.39Å; V85-S87 PolarHBondContact O-N 2.67Å; S87-T138 WeakPolarHBondContact OG-CB 3.29Å; S87-T138 WeakPolarHBondContact OG-CG2 3.27Å; S87-T138 PolarHBondContact OG-OG1 2.98Å
88Y97.5Very high95.1Very high3 Ų353 Ų531%0.01225%0.251CS..EExtended strand (participates in β ladder)trans-156.3155.3172.972.6-79.1000111.5I55 T120 V124 R135 F136 L137 T138 E169I55-Y88 HydrophobicContact CD1-CD2 4.34Å; Y88-T120 HydrophobicContact CD2-CG2 4.45Å; Y88-T120 HydrophobicContact CE2-CG2 4.26Å; Y88-V124 HydrophobicContact CD1-CG1 3.84Å; Y88-V124 HydrophobicContact CD1-CG2 4.2Å; Y88-V124 HydrophobicContact CD2-CG2 3.74Å; Y88-V124 HydrophobicContact CE1-CB 4.45Å; Y88-V124 HydrophobicContact CE1-CG1 3.57Å; Y88-V124 HydrophobicContact CE1-CG2 4.29Å; Y88-V124 HydrophobicContact CE2-CG1 4.47Å; Y88-V124 HydrophobicContact CE2-CG2 3.81Å; Y88-V124 HydrophobicContact CG-CG1 4.4Å; Y88-V124 HydrophobicContact CG-CG2 3.9Å; Y88-R135 HydrophobicContact CE1-CB 4.44Å; Y88-F136 VanDerWaalsContact CD1-O 3.22Å; Y88-F136 WeakPolarHBondContact CD1-O 3.27Å; Y88-F136 VanDerWaalsContact CE1-C 3.5Å; Y88-F136 PolarHBondContact N-O 2.86Å; Y88-L137 HydrophobicContact CD2-CD1 3.95Å; Y88-L137 HydrophobicContact CE1-CB 4.12Å; Y88-L137 HydrophobicContact CE2-CB 4.25Å; Y88-L137 HydrophobicContact CE2-CD1 3.6Å; Y88-L137 HydrophobicContact CE2-CG 4.48Å; Y88-L137 CarbonylContact O-C 3.55Å; Y88-L137 WeakPolarHBondContact O-CA 3.5Å; Y88-T138 PolarHBondContact N-OG1 2.74Å; Y88-T138 PolarHBondContact O-N 2.84Å; Y88-T138 PolarHBondContact O-OG1 2.62Å; Y88-E169 HydrophobicContact CE1-CG 4.48Å; Y88-E169 VanDerWaalsContact OH-CG 3.29Å; Y88-E169 WeakPolarHBondContact OH-CG 3.23Å; Y88-E169 PolarHBondContact OH-OE2 3.11Å
89H96.5Very high95Very high5 Ų548.2 Ų48.22%0.02324%0.235CC..EExtended strand (participates in β ladder)trans-112.2150.9-178.5-55.1168.2000110.4N3 E4 E49 I55 Y91 T138 E139N3-H89 PolarHBondContact OD1-CE1 3.05Å; N3-H89 VanDerWaalsContact OD1-CE1 3.24Å; N3-H89 PolarHBondContact OD1-NE2 3.04Å; E4-H89 VanDerWaalsContact CG-CE1 3.48Å; E4-H89 WeakPolarHBondContact CG-CE1 3.46Å; E4-H89 IonicContact OE1-CE1 3.94Å; E4-H89 IonicContact OE1-ND1 3.93Å; E4-H89 PolarHBondContact OE1-ND1 3.13Å; E49-H89 IonicContact OE1-CE1 3.26Å; E49-H89 IonicContact OE1-ND1 3.04Å; E49-H89 IonicContact OE2-CE1 3.31Å; E49-H89 IonicContact OE2-NE2 3.76Å; I55-H89 WeakPolarHBondContact CD1-O 3.39Å; H89-Y91 HydrophobicContact CB-CE2 4.14Å; H89-T138 PolarHBondContact CD2-OG1 3.05Å; H89-T138 PolarHBondContact NE2-OG1 2.86Å; H89-T138 VanDerWaalsContact NE2-OG1 3.08Å; H89-E139 CarbonylContact C-O 3.59Å; H89-E139 VanDerWaalsContact CA-O 3.24Å; H89-E139 WeakPolarHBondContact CA-O 3.49Å; H89-E139 HydrophobicContact CB-CB 4.03Å; H89-E139 VanDerWaalsContact CD2-CB 3.41Å; H89-E139 WeakPolarHBondContact CD2-CB 3.29Å; H89-E139 PolarHBondContact CD2-N 2.84Å; H89-E139 IonicContact CE1-OE1 3.4Å; H89-E139 PolarHBondContact CE1-OE1 3.4Å; H89-E139 VanDerWaalsContact CE1-OE1 3.31Å; H89-E139 IonicContact CE1-OE2 2.65Å; H89-E139 IonicContact CG-OE2 3.1Å; H89-E139 IonicContact ND1-OE1 3.27Å; H89-E139 IonicContact ND1-OE2 3.76Å; H89-E139 PolarHBondContact ND1-OE2 2.73Å; H89-E139 WeakPolarHBondContact NE2-CG 3.19Å; H89-E139 IonicContact NE2-OE1 2.68Å
90Y97.1Very high94.9Very high2 Ų245.5 Ų45.51%0.00823%0.226CC..EExtended strand (participates in β ladder)trans-133.5126.1172171.5-89.1000110.9L116 L117 T120 E139 F140 E156 V160Y90-L116 HydrophobicContact CE2-CD2 4.31Å; Y90-L116 HydrophobicContact CE2-CG 4.05Å; Y90-L117 HydrophobicContact CD1-CD1 3.96Å; Y90-L117 HydrophobicContact CD2-CD1 4.07Å; Y90-L117 HydrophobicContact CE1-CD1 3.66Å; Y90-L117 HydrophobicContact CE2-CB 3.99Å; Y90-L117 HydrophobicContact CE2-CD1 3.74Å; Y90-L117 HydrophobicContact CG-CD1 4.18Å; Y90-T120 HydrophobicContact CD2-CG2 4.04Å; Y90-E139 PolarHBondContact N-O 2.91Å; Y90-F140 WeakPolarHBondContact O-CA 3.27Å; Y90-F140 WeakPolarHBondContact O-CB 3.39Å; Y90-E156 VanDerWaalsContact CE1-OE1 3.27Å; Y90-E156 WeakPolarHBondContact CE1-OE1 3.47Å; Y90-E156 PolarHBondContact OH-OE1 3.23Å; Y90-V160 HydrophobicContact CD1-CG1 4.41Å; Y90-V160 HydrophobicContact CD1-CG2 3.7Å; Y90-V160 HydrophobicContact CE1-CG2 3.45Å; Y90-V160 VanDerWaalsContact CE1-CG2 3.45Å
91Y95Very high94.7Very high39 Ų3949.7 Ų49.715%0.15325%0.251CS..  trans-139.1135.9168.4-63-86.6000109.4Y56 H89 W93 E139 L142Y56-Y91 PolarHBondContact OH-N 2.93Å; H89-Y91 HydrophobicContact CB-CE2 4.14Å; Y91-W93 PolarHBondContact O-N 2.87Å; Y91-E139 HydrophobicContact CE2-CB 4.45Å; Y91-E139 PolarHBondContact OH-OE2 2.9Å; Y91-E139 VanDerWaalsContact OH-OE2 3.1Å; Y91-L142 HydrophobicContact CD1-CD1 3.82Å; Y91-L142 HydrophobicContact CD1-CG 3.92Å; Y91-L142 HydrophobicContact CE1-CD1 4.27Å; Y91-L142 HydrophobicContact CE1-CG 3.98Å
92C95.7Very high94.6Very high6 Ų648.7 Ų48.74%0.04125%0.252CS..  trans-80.2101.4166.3-166.70000110.7L94 L95 C112 L116 E156C92-L94 PolarHBondContact O-N 3.31Å; C92-L95 HydrophobicContact CB-CD1 3.83Å; C92-L95 HydrophobicContact CB-CG 3.99Å; C92-L95 WeakPolarHBondContact O-CB 3.01Å; C92-L95 PolarHBondContact O-N 3.13Å; C92-C112 HydrophobicContact CB-CB 3.73Å; C92-C112 WeakPolarHBondContact CB-SG 3.05Å; C92-C112 VanDerWaalsContact SG-CA 3.58Å; C92-C112 WeakPolarHBondContact SG-CB 3.34Å; C92-C112 CovalentContact SG-SG 2.03Å; C92-C112 PolarHBondContact SG-SG 2.93Å; C92-L116 HydrophobicContact CB-CD2 4.36Å; C92-E156 WeakPolarHBondContact CB-OE1 3.33Å
93W92.8Very high94.6Very high132 Ų13246.2 Ų46.250%0.524%0.243SC..G310 helixtrans-59.8-21.1-178.455.567.1000114.1Y56 Y91 L95 Q96 L116Y56-W93 HydrophobicContact CD1-CZ3 4.28Å; Y56-W93 HydrophobicContact CD2-CZ3 4.34Å; Y56-W93 HydrophobicContact CE1-CZ3 4.33Å; Y56-W93 HydrophobicContact CE2-CZ3 4.41Å; Y56-W93 HydrophobicContact CG-CZ3 4.27Å; Y91-W93 PolarHBondContact O-N 2.87Å; W93-L95 PolarHBondContact O-N 3.38Å; W93-Q96 PolarHBondContact O-N 3.24Å; W93-L116 HydrophobicContact CD2-CD2 4.38Å; W93-L116 HydrophobicContact CE3-CD2 4.33Å; W93-L116 HydrophobicContact CH2-CD1 3.64Å; W93-L116 HydrophobicContact CH2-CD2 4.33Å; W93-L116 HydrophobicContact CZ2-CD1 4.1Å; W93-L116 HydrophobicContact CZ2-CD2 4.35Å; W93-L116 HydrophobicContact CZ3-CD1 4.06Å; W93-L116 HydrophobicContact CZ3-CD2 4.31Å
94L94Very high94.6Very high48 Ų4844.5 Ų44.525%0.25124%0.235SC..G310 helixtrans-66.3-18176.2-60.9176.7000113C92 K108 L111C92-L94 PolarHBondContact O-N 3.31Å; L94-K108 WeakPolarHBondContact O-CE 3.43Å; L94-K108 PolarHBondContact O-NZ 3.4Å; L94-L111 HydrophobicContact CD1-CB 3.54Å; L94-L111 HydrophobicContact CD1-CD1 3.63Å; L94-L111 HydrophobicContact CD1-CG 4.25Å
95L93.8Very high94.5Very high15 Ų1546.1 Ų46.18%0.07925%0.245CC..G310 helixtrans-94.2-18.5-178.2-54.6178.9000112.6C92 W93 S97 T98 M104 K108 I152 E156C92-L95 HydrophobicContact CB-CD1 3.83Å; C92-L95 HydrophobicContact CB-CG 3.99Å; C92-L95 WeakPolarHBondContact O-CB 3.01Å; C92-L95 PolarHBondContact O-N 3.13Å; W93-L95 PolarHBondContact O-N 3.38Å; L95-S97 PolarHBondContact O-N 2.77Å; L95-S97 VanDerWaalsContact O-N 3.11Å; L95-T98 PolarHBondContact O-N 2.97Å; L95-T98 VanDerWaalsContact O-N 3.07Å; L95-T98 VanDerWaalsContact O-O 3.1Å; L95-M104 HydrophobicContact CD1-CE 3.81Å; L95-M104 HydrophobicContact CD2-CE 3.7Å; L95-M104 HydrophobicContact CD2-SD 3.62Å; L95-M104 HydrophobicContact CG-CE 4.43Å; L95-K108 HydrophobicContact CD2-CB 4.25Å; L95-K108 HydrophobicContact CD2-CD 4.01Å; L95-I152 HydrophobicContact CB-CG2 4.29Å; L95-I152 HydrophobicContact CD1-CG2 4.02Å; L95-I152 HydrophobicContact CD2-CG2 4.13Å; L95-I152 HydrophobicContact CG-CG2 4.37Å; L95-E156 HydrophobicContact CD1-CB 3.87Å; L95-E156 VanDerWaalsContact CD1-CD 3.47Å; L95-E156 HydrophobicContact CD1-CG 3.65Å; L95-E156 WeakPolarHBondContact CD1-OE2 3.35Å
96Q89.4Confident94.5Very high130 Ų13049.7 Ų49.761%0.60727%0.271SS*.THydrogen-bonded Turntrans-61.2-26.4-175.3-70.1179.6-5.700114W93 L142W93-Q96 PolarHBondContact O-N 3.24Å; Q96-L142 HydrophobicContact CG-CD1 3.95Å
97S88.3Confident94.4Very high103 Ų10356.9 Ų56.972%0.7230%0.298SS*.THydrogen-bonded Turntrans-93.43.5-178.974.90000114L95L95-S97 PolarHBondContact O-N 2.77Å; L95-S97 VanDerWaalsContact O-N 3.11Å
98T90.1Very high94.4Very high29 Ų2957.6 Ų57.618%0.17830%0.302CS..SBendtrans-124.1132.3-176.9-610000109.4L95 A100 E102 K108 I152L95-T98 PolarHBondContact O-N 2.97Å; L95-T98 VanDerWaalsContact O-N 3.07Å; L95-T98 VanDerWaalsContact O-O 3.1Å; T98-A100 PolarHBondContact O-N 3.21Å; T98-E102 HydrophobicContact CG2-CB 4.24Å; T98-E102 WeakPolarHBondContact CG2-OE2 3.39Å; T98-K108 PolarHBondContact OG1-NZ 3.49Å; T98-I152 HydrophobicContact CG2-CD1 3.41Å; T98-I152 VanDerWaalsContact CG2-CD1 3.41Å
99P92.3Very high94.4Very high70 Ų7061 Ų6146%0.45532%0.317SS..  trans-54.7128.6174.8-2433.7000111.2T101 E102P99-T101 PolarHBondContact O-N 3.47Å; P99-T101 VanDerWaalsContact O-N 3.12Å; P99-E102 HydrophobicContact CB-CG 4.18Å; P99-E102 WeakPolarHBondContact CD-OE1 3.23Å; P99-E102 HydrophobicContact CG-CG 4.48Å; P99-E102 WeakPolarHBondContact CG-OE1 3.4Å; P99-E102 WeakPolarHBondContact O-CB 3.48Å; P99-E102 PolarHBondContact O-N 2.72Å
100A91.4Very high94.4Very high28 Ų2867.1 Ų67.123%0.23134%0.341CS..THydrogen-bonded Turntrans-67.4-16.3-17200000113.8T98 E102 I152 N153T98-A100 PolarHBondContact O-N 3.21Å; A100-E102 VanDerWaalsContact C-N 3.3Å; A100-I152 HydrophobicContact CB-CG2 4.34Å; A100-I152 WeakPolarHBondContact O-CB 3.38Å; A100-I152 PolarHBondContact O-N 2.84Å; A100-N153 WeakPolarHBondContact CB-OD1 3.44Å; A100-N153 WeakPolarHBondContact O-CB 3.35Å; A100-N153 PolarHBondContact O-N 3.41Å; A100-N153 PolarHBondContact O-ND2 2.79Å
101T93Very high94.4Very high96 Ų9669.9 Ų69.959%0.58936%0.356SS*.THydrogen-bonded Turntrans-77.1-13.2174.154.70000113.5P99P99-T101 PolarHBondContact O-N 3.47Å; P99-T101 VanDerWaalsContact O-N 3.12Å
102E95.6Very high94.6Very high101 Ų10168 Ų6847%0.47235%0.348SS..SBendtrans-75.1158.6178.6-71.2-177.6-163.100112T98 P99 A100 M104 S151 I152T98-E102 HydrophobicContact CG2-CB 4.24Å; T98-E102 WeakPolarHBondContact CG2-OE2 3.39Å; P99-E102 HydrophobicContact CB-CG 4.18Å; P99-E102 WeakPolarHBondContact CD-OE1 3.23Å; P99-E102 HydrophobicContact CG-CG 4.48Å; P99-E102 WeakPolarHBondContact CG-OE1 3.4Å; P99-E102 WeakPolarHBondContact O-CB 3.48Å; P99-E102 PolarHBondContact O-N 2.72Å; A100-E102 VanDerWaalsContact C-N 3.3Å; E102-M104 PolarHBondContact O-N 2.86Å; E102-S151 CarbonylContact O-C 3.53Å; E102-S151 WeakPolarHBondContact O-CA 3.25Å; E102-I152 WeakPolarHBondContact O-CG1 3.4Å; E102-I152 PolarHBondContact O-N 3.44Å
103H96.9Very high94.6Very high106 Ų10668.4 Ų68.449%0.49135%0.35SS..BIsolated β-bridgetrans-60.7130.3175.1170.6-73.5000111.1P105 E150H103-P105 WeakPolarHBondContact O-CD 3.24Å; H103-E150 CarbonylContact C-O 3.57Å; H103-E150 WeakPolarHBondContact CA-O 3.41Å; H103-E150 IonicContact CD2-OE2 3.44Å
104M96.8Very high94.8Very high4 Ų467 Ų672%0.0235%0.349CS..  trans-66.2112.7177.4178.366.584.200111.5L95 E102 S106 K108 Q109 E150 I152 V155 E156L95-M104 HydrophobicContact CD1-CE 3.81Å; L95-M104 HydrophobicContact CD2-CE 3.7Å; L95-M104 HydrophobicContact CD2-SD 3.62Å; L95-M104 HydrophobicContact CG-CE 4.43Å; E102-M104 PolarHBondContact O-N 2.86Å; M104-S106 PolarHBondContact O-N 3.28Å; M104-K108 HydrophobicContact SD-CB 4.01Å; M104-Q109 HydrophobicContact CG-CB 3.69Å; M104-Q109 HydrophobicContact CG-CG 4.26Å; M104-Q109 HydrophobicContact SD-CB 4.35Å; M104-E150 PolarHBondContact N-O 3.11Å; M104-I152 HydrophobicContact CB-CG1 3.98Å; M104-I152 HydrophobicContact CE-CB 4.17Å; M104-I152 HydrophobicContact CE-CG1 3.99Å; M104-I152 HydrophobicContact CE-CG2 3.98Å; M104-I152 HydrophobicContact SD-CG1 3.87Å; M104-V155 HydrophobicContact CB-CB 4.14Å; M104-V155 HydrophobicContact CB-CG1 4.24Å; M104-V155 HydrophobicContact CB-CG2 4.12Å; M104-V155 HydrophobicContact CE-CB 4.25Å; M104-V155 HydrophobicContact CE-CG1 4.07Å; M104-V155 HydrophobicContact CG-CB 4.34Å; M104-V155 HydrophobicContact CG-CG1 3.95Å; M104-E156 HydrophobicContact CE-CB 4.22Å
105P95.9Very high94.9Very high37 Ų3768.8 Ų68.824%0.2436%0.359CS..  trans-64132.7176-19.333.2000110.7H103 W107 K108 Q109H103-P105 WeakPolarHBondContact O-CD 3.24Å; P105-W107 PolarHBondContact O-N 3.46Å; P105-K108 HydrophobicContact CB-CB 4.44Å; P105-K108 HydrophobicContact CB-CG 4.26Å; P105-K108 HydrophobicContact CG-CD 4.15Å; P105-K108 HydrophobicContact CG-CG 4.27Å; P105-K108 WeakPolarHBondContact O-CA 3.5Å; P105-K108 WeakPolarHBondContact O-CB 3.22Å; P105-K108 PolarHBondContact O-N 3.02Å; P105-Q109 PolarHBondContact O-N 3.08Å
106S96.5Very high95.1Very high89 Ų8969.1 Ų69.162%0.62236%0.36SS*.Hα-helixtrans-56.5-32.6-174-45.90000113.9M104 Y110M104-S106 PolarHBondContact O-N 3.28Å; S106-Y110 WeakPolarHBondContact O-CB 3.31Å; S106-Y110 PolarHBondContact O-N 2.91Å
107W96.5Very high95.5Very high151 Ų15163 Ų6357%0.57233%0.331SS*.Hα-helixtrans-70.9-35.8176.472.5-94.1000112.4P105 L111P105-W107 PolarHBondContact O-N 3.46Å; W107-L111 HydrophobicContact CE3-CD1 3.7Å; W107-L111 HydrophobicContact CZ3-CD1 3.82Å; W107-L111 VanDerWaalsContact O-CG 3.3Å; W107-L111 WeakPolarHBondContact O-CG 3.42Å; W107-L111 PolarHBondContact O-N 3.12Å
108K96.8Very high95.9Very high16 Ų1660.8 Ų60.87%0.0731%0.312CS..Hα-helixtrans-68.1-46.6173.8-70.2-163.7-179.3-166.70110L94 L95 T98 M104 P105 Y110 L111 C112L94-K108 WeakPolarHBondContact O-CE 3.43Å; L94-K108 PolarHBondContact O-NZ 3.4Å; L95-K108 HydrophobicContact CD2-CB 4.25Å; L95-K108 HydrophobicContact CD2-CD 4.01Å; T98-K108 PolarHBondContact OG1-NZ 3.49Å; M104-K108 HydrophobicContact SD-CB 4.01Å; P105-K108 HydrophobicContact CB-CB 4.44Å; P105-K108 HydrophobicContact CB-CG 4.26Å; P105-K108 HydrophobicContact CG-CD 4.15Å; P105-K108 HydrophobicContact CG-CG 4.27Å; P105-K108 WeakPolarHBondContact O-CA 3.5Å; P105-K108 WeakPolarHBondContact O-CB 3.22Å; P105-K108 PolarHBondContact O-N 3.02Å; K108-Y110 VanDerWaalsContact C-N 3.31Å; K108-Y110 PolarHBondContact O-N 3.37Å; K108-L111 PolarHBondContact O-N 3.1Å; K108-L111 VanDerWaalsContact O-N 3.13Å; K108-C112 PolarHBondContact O-N 2.9Å; K108-C112 PolarHBondContact O-SG 3.44Å
109Q97.2Very high96.3Very high73 Ų7363.5 Ų63.534%0.34132%0.319SS..Hα-helixtrans-53.1-48.8175.6-170.8179.73.700111.6M104 P105 L111 C112 D113 V155M104-Q109 HydrophobicContact CG-CB 3.69Å; M104-Q109 HydrophobicContact CG-CG 4.26Å; M104-Q109 HydrophobicContact SD-CB 4.35Å; P105-Q109 PolarHBondContact O-N 3.08Å; Q109-L111 PolarHBondContact O-N 3.48Å; Q109-C112 PolarHBondContact O-N 3.3Å; Q109-D113 WeakPolarHBondContact CG-OD2 3.4Å; Q109-D113 PolarHBondContact NE2-OD2 2.92Å; Q109-D113 VanDerWaalsContact O-CB 3.25Å; Q109-D113 WeakPolarHBondContact O-CB 3.49Å; Q109-D113 VanDerWaalsContact O-CG 3.29Å; Q109-D113 PolarHBondContact O-N 3.29Å; Q109-V155 HydrophobicContact CG-CG1 4.05Å
110Y97.6Very high96.5Very high135 Ų13560.1 Ų60.153%0.52930%0.298SS..Iπ-helixtrans-59.6-45.8178.3179.9-94000112.3S106 K108 Q114 L115S106-Y110 WeakPolarHBondContact O-CB 3.31Å; S106-Y110 PolarHBondContact O-N 2.91Å; K108-Y110 VanDerWaalsContact C-N 3.31Å; K108-Y110 PolarHBondContact O-N 3.37Å; Y110-Q114 HydrophobicContact CD2-CB 3.97Å; Y110-Q114 HydrophobicContact CD2-CG 3.82Å; Y110-Q114 HydrophobicContact CE2-CB 3.94Å; Y110-Q114 HydrophobicContact CE2-CG 4.1Å; Y110-Q114 HydrophobicContact CG-CB 4.48Å; Y110-Q114 WeakPolarHBondContact O-CA 3.12Å; Y110-Q114 VanDerWaalsContact O-CB 3.26Å; Y110-Q114 WeakPolarHBondContact O-CB 3.21Å; Y110-Q114 PolarHBondContact O-N 3.21Å; Y110-L115 HydrophobicContact CE1-CD1 4.08Å; Y110-L115 HydrophobicContact CE1-CD2 4.23Å; Y110-L115 HydrophobicContact CE1-CG 4.06Å; Y110-L115 PolarHBondContact O-N 3.42Å
111L97.8Very high96.8Very high59 Ų5958.9 Ų58.931%0.30929%0.287SS..Iπ-helixtrans-67.2-40.7-179.9-67177.8000112.6L94 W107 K108 Q109 L115 L116L94-L111 HydrophobicContact CD1-CB 3.54Å; L94-L111 HydrophobicContact CD1-CD1 3.63Å; L94-L111 HydrophobicContact CD1-CG 4.25Å; W107-L111 HydrophobicContact CE3-CD1 3.7Å; W107-L111 HydrophobicContact CZ3-CD1 3.82Å; W107-L111 VanDerWaalsContact O-CG 3.3Å; W107-L111 WeakPolarHBondContact O-CG 3.42Å; W107-L111 PolarHBondContact O-N 3.12Å; K108-L111 PolarHBondContact O-N 3.1Å; K108-L111 VanDerWaalsContact O-N 3.13Å; Q109-L111 PolarHBondContact O-N 3.48Å; L111-L115 HydrophobicContact CD2-CD1 3.54Å; L111-L115 WeakPolarHBondContact O-CB 3.49Å; L111-L116 WeakPolarHBondContact O-CB 3.37Å; L111-L116 PolarHBondContact O-N 2.93Å
112C97.6Very high97Very high0 Ų061.4 Ų61.40%029%0.29CS..Iπ-helixtrans-69-60.2176.7-61.30000110.5C92 K108 Q109 L116 L117C92-C112 HydrophobicContact CB-CB 3.73Å; C92-C112 WeakPolarHBondContact CB-SG 3.05Å; C92-C112 VanDerWaalsContact SG-CA 3.58Å; C92-C112 WeakPolarHBondContact SG-CB 3.34Å; C92-C112 CovalentContact SG-SG 2.03Å; C92-C112 PolarHBondContact SG-SG 2.93Å; K108-C112 PolarHBondContact O-N 2.9Å; K108-C112 PolarHBondContact O-SG 3.44Å; Q109-C112 PolarHBondContact O-N 3.3Å; C112-L116 PolarHBondContact O-N 3.02Å; C112-L117 WeakPolarHBondContact O-CB 3.39Å; C112-L117 PolarHBondContact O-N 2.87Å
113D97.4Very high97.1Very high15 Ų1557.2 Ų57.28%0.0827%0.271CS..Iπ-helixtrans-73.2-47.3-169.4-60.7-0.1000112.5Q109 N118 A159Q109-D113 WeakPolarHBondContact CG-OD2 3.4Å; Q109-D113 PolarHBondContact NE2-OD2 2.92Å; Q109-D113 VanDerWaalsContact O-CB 3.25Å; Q109-D113 WeakPolarHBondContact O-CB 3.49Å; Q109-D113 VanDerWaalsContact O-CG 3.29Å; Q109-D113 PolarHBondContact O-N 3.29Å; D113-N118 PolarHBondContact O-ND2 3.02Å; D113-A159 WeakPolarHBondContact OD1-CB 3.44Å
114Q96.3Very high97.2Very high103 Ų10352.1 Ų52.148%0.48125%0.247SC..Iπ-helixtrans-90.2-29.4-167.9-55.8-56.6-42.100112.5Y110 N118Y110-Q114 HydrophobicContact CD2-CB 3.97Å; Y110-Q114 HydrophobicContact CD2-CG 3.82Å; Y110-Q114 HydrophobicContact CE2-CB 3.94Å; Y110-Q114 HydrophobicContact CE2-CG 4.1Å; Y110-Q114 HydrophobicContact CG-CB 4.48Å; Y110-Q114 WeakPolarHBondContact O-CA 3.12Å; Y110-Q114 VanDerWaalsContact O-CB 3.26Å; Y110-Q114 WeakPolarHBondContact O-CB 3.21Å; Y110-Q114 PolarHBondContact O-N 3.21Å; Q114-N118 PolarHBondContact O-ND2 3.42Å
115L96.9Very high97.2Very high85 Ų8558.3 Ų58.345%0.44527%0.27SS..Iπ-helixtrans-103.4-69.1179.9-53.6-173.7000112.1Y110 L111 Y119Y110-L115 HydrophobicContact CE1-CD1 4.08Å; Y110-L115 HydrophobicContact CE1-CD2 4.23Å; Y110-L115 HydrophobicContact CE1-CG 4.06Å; Y110-L115 PolarHBondContact O-N 3.42Å; L111-L115 HydrophobicContact CD2-CD1 3.54Å; L111-L115 WeakPolarHBondContact O-CB 3.49Å; L115-Y119 WeakPolarHBondContact O-CB 3.47Å; L115-Y119 PolarHBondContact O-N 3.41Å
116L97.3Very high97.2Very high22 Ų2258.4 Ų58.412%0.11527%0.272CS..Iπ-helixtrans-66.5-49.6-168.4-175.963.1000112.5Y56 Y90 C92 W93 L111 C112 Y119 T120Y56-L116 HydrophobicContact CD1-CD1 3.77Å; Y56-L116 HydrophobicContact CE1-CD1 3.8Å; Y56-L116 HydrophobicContact CE1-CG 4.34Å; Y90-L116 HydrophobicContact CE2-CD2 4.31Å; Y90-L116 HydrophobicContact CE2-CG 4.05Å; C92-L116 HydrophobicContact CB-CD2 4.36Å; W93-L116 HydrophobicContact CD2-CD2 4.38Å; W93-L116 HydrophobicContact CE3-CD2 4.33Å; W93-L116 HydrophobicContact CH2-CD1 3.64Å; W93-L116 HydrophobicContact CH2-CD2 4.33Å; W93-L116 HydrophobicContact CZ2-CD1 4.1Å; W93-L116 HydrophobicContact CZ2-CD2 4.35Å; W93-L116 HydrophobicContact CZ3-CD1 4.06Å; W93-L116 HydrophobicContact CZ3-CD2 4.31Å; L111-L116 WeakPolarHBondContact O-CB 3.37Å; L111-L116 PolarHBondContact O-N 2.93Å; C112-L116 PolarHBondContact O-N 3.02Å; L116-Y119 PolarHBondContact O-N 3.27Å; L116-T120 WeakPolarHBondContact O-CB 3.27Å; L116-T120 PolarHBondContact O-N 3.14Å; L116-T120 PolarHBondContact O-OG1 3.1Å
117L97.8Very high97.3Very high0 Ų054.2 Ų54.20%024%0.242CC..Iπ-helixtrans-61.8-53.6179.8-176.864.2000111.3Y90 C112 Y119 T120 F121 A159 V160 A163Y90-L117 HydrophobicContact CD1-CD1 3.96Å; Y90-L117 HydrophobicContact CD2-CD1 4.07Å; Y90-L117 HydrophobicContact CE1-CD1 3.66Å; Y90-L117 HydrophobicContact CE2-CB 3.99Å; Y90-L117 HydrophobicContact CE2-CD1 3.74Å; Y90-L117 HydrophobicContact CG-CD1 4.18Å; C112-L117 WeakPolarHBondContact O-CB 3.39Å; C112-L117 PolarHBondContact O-N 2.87Å; L117-Y119 VanDerWaalsContact C-N 3.31Å; L117-Y119 PolarHBondContact O-N 3.42Å; L117-T120 WeakPolarHBondContact O-CB 3.1Å; L117-T120 PolarHBondContact O-N 3.36Å; L117-T120 VanDerWaalsContact O-N 3.14Å; L117-F121 HydrophobicContact CD1-CD2 3.72Å; L117-F121 HydrophobicContact CD1-CE2 3.42Å; L117-F121 VanDerWaalsContact CD1-CE2 3.42Å; L117-F121 HydrophobicContact CG-CD2 4.23Å; L117-F121 HydrophobicContact CG-CE2 4.3Å; L117-F121 WeakPolarHBondContact O-CD2 3.39Å; L117-F121 PolarHBondContact O-N 3.01Å; L117-A159 HydrophobicContact CD2-CB 4.26Å; L117-V160 HydrophobicContact CD1-CG2 4.2Å; L117-A163 HydrophobicContact CD1-CB 4.1Å; L117-A163 HydrophobicContact CD2-CB 3.63Å; L117-A163 HydrophobicContact CG-CB 3.82Å
118N97.2Very high97.3Very high58 Ų5847.9 Ų47.931%0.3122%0.22SC..Hα-helixtrans-59.7-41177.9-76.2-24.1000112.3D113 Q114 K122D113-N118 PolarHBondContact O-ND2 3.02Å; Q114-N118 PolarHBondContact O-ND2 3.42Å; N118-K122 WeakPolarHBondContact O-CB 3.45Å; N118-K122 PolarHBondContact O-N 3.13Å; N118-K122 VanDerWaalsContact O-N 3.1Å
119Y97.3Very high97.3Very high85 Ų8553.4 Ų53.433%0.33325%0.247SC..Hα-helixtrans-60.7-48.6174.5175.4-92.8000111Y56 P58 L115 L116 L117 K122 N123Y56-Y119 WeakPolarHBondContact O-CE1 3.22Å; Y56-Y119 PolarHBondContact O-OH 2.83Å; P58-Y119 WeakPolarHBondContact CA-OH 3.49Å; L115-Y119 WeakPolarHBondContact O-CB 3.47Å; L115-Y119 PolarHBondContact O-N 3.41Å; L116-Y119 PolarHBondContact O-N 3.27Å; L117-Y119 VanDerWaalsContact C-N 3.31Å; L117-Y119 PolarHBondContact O-N 3.42Å; Y119-K122 PolarHBondContact O-N 2.88Å; Y119-N123 HydrophobicContact CE1-CB 4.18Å; Y119-N123 VanDerWaalsContact O-CB 3.28Å; Y119-N123 WeakPolarHBondContact O-CB 3.36Å; Y119-N123 PolarHBondContact O-N 2.79Å
120T97.4Very high97.2Very high0 Ų052.6 Ų52.60%025%0.249CC..Hα-helixtrans-58.4-54.5-177.6-59.60000111.3I55 Y56 Y88 Y90 L116 L117 K122 N123 V124I55-T120 HydrophobicContact CD1-CG2 3.41Å; I55-T120 VanDerWaalsContact CD1-CG2 3.41Å; Y56-T120 HydrophobicContact CE1-CG2 4.31Å; Y56-T120 VanDerWaalsContact CE1-OG1 3.24Å; Y56-T120 WeakPolarHBondContact CE1-OG1 3.5Å; Y88-T120 HydrophobicContact CD2-CG2 4.45Å; Y88-T120 HydrophobicContact CE2-CG2 4.26Å; Y90-T120 HydrophobicContact CD2-CG2 4.04Å; L116-T120 WeakPolarHBondContact O-CB 3.27Å; L116-T120 PolarHBondContact O-N 3.14Å; L116-T120 PolarHBondContact O-OG1 3.1Å; L117-T120 WeakPolarHBondContact O-CB 3.1Å; L117-T120 PolarHBondContact O-N 3.36Å; L117-T120 VanDerWaalsContact O-N 3.14Å; T120-K122 VanDerWaalsContact C-N 3.31Å; T120-K122 PolarHBondContact O-N 3.32Å; T120-N123 PolarHBondContact O-N 3.34Å; T120-N123 VanDerWaalsContact O-N 3.13Å; T120-V124 HydrophobicContact CG2-CG2 4.41Å; T120-V124 WeakPolarHBondContact O-CB 3.37Å; T120-V124 WeakPolarHBondContact O-CG2 3.42Å; T120-V124 PolarHBondContact O-N 3.31Å
121F97.9Very high97.1Very high1 Ų146.1 Ų46.10%0.00422%0.223CC..Hα-helixtrans-60.9-39.4179.8-87.5-95.1000112.7L117 R125 R135 L137 A163 A164 N167 E169L117-F121 HydrophobicContact CD1-CD2 3.72Å; L117-F121 HydrophobicContact CD1-CE2 3.42Å; L117-F121 VanDerWaalsContact CD1-CE2 3.42Å; L117-F121 HydrophobicContact CG-CD2 4.23Å; L117-F121 HydrophobicContact CG-CE2 4.3Å; L117-F121 WeakPolarHBondContact O-CD2 3.39Å; L117-F121 PolarHBondContact O-N 3.01Å; F121-R125 WeakPolarHBondContact O-CB 3.24Å; F121-R125 PolarHBondContact O-N 2.81Å; F121-R135 PolarHBondContact O-NH1 2.87Å; F121-L137 HydrophobicContact CZ-CD2 4.13Å; F121-A163 HydrophobicContact CD2-CB 4.27Å; F121-A163 HydrophobicContact CE2-CB 4.01Å; F121-A163 HydrophobicContact CZ-CB 4.2Å; F121-A164 HydrophobicContact CE1-CB 4.42Å; F121-A164 HydrophobicContact CZ-CB 4.3Å; F121-N167 HydrophobicContact CD1-CB 3.53Å; F121-N167 VanDerWaalsContact CD1-CG 3.48Å; F121-N167 WeakPolarHBondContact CD1-ND2 3.46Å; F121-N167 HydrophobicContact CE1-CB 4.01Å; F121-E169 HydrophobicContact CD1-CB 4.36Å; F121-E169 HydrophobicContact CD1-CG 4.5Å; F121-E169 HydrophobicContact CE1-CB 3.63Å; F121-E169 HydrophobicContact CE1-CG 3.74Å; F121-E169 HydrophobicContact CZ-CG 4.49Å
122K97.1Very high97Very high149 Ų14944.2 Ų44.265%0.64822%0.217SC*.Hα-helixtrans-65.5-44.1175.2-178.3177.6173179.20111.3N118 Y119 T120 R125 S126N118-K122 WeakPolarHBondContact O-CB 3.45Å; N118-K122 PolarHBondContact O-N 3.13Å; N118-K122 VanDerWaalsContact O-N 3.1Å; Y119-K122 PolarHBondContact O-N 2.88Å; T120-K122 VanDerWaalsContact C-N 3.31Å; T120-K122 PolarHBondContact O-N 3.32Å; K122-R125 WeakPolarHBondContact O-CB 3.43Å; K122-R125 PolarHBondContact O-N 2.83Å; K122-S126 PolarHBondContact O-N 3.06Å; K122-S126 PolarHBondContact O-OG 3.41Å
123N97.4Very high97Very high13 Ų1345.5 Ų45.57%0.0723%0.231CC..Hα-helixtrans-68.2-44.7-177.5-160.340.1000111.1I55 F57 Y119 T120 R125 S126 I127I55-N123 PolarHBondContact O-ND2 2.03Å; F57-N123 PolarHBondContact O-ND2 2.77Å; Y119-N123 HydrophobicContact CE1-CB 4.18Å; Y119-N123 VanDerWaalsContact O-CB 3.28Å; Y119-N123 WeakPolarHBondContact O-CB 3.36Å; Y119-N123 PolarHBondContact O-N 2.79Å; T120-N123 PolarHBondContact O-N 3.34Å; T120-N123 VanDerWaalsContact O-N 3.13Å; N123-R125 VanDerWaalsContact C-N 3.29Å; N123-R125 PolarHBondContact O-N 2.99Å; N123-S126 CarbonylContact O-C 3.2Å; N123-S126 WeakPolarHBondContact O-CB 3.4Å; N123-S126 PolarHBondContact O-N 3.34Å; N123-I127 WeakPolarHBondContact O-CD1 3.14Å; N123-I127 VanDerWaalsContact O-CG1 3.24Å; N123-I127 WeakPolarHBondContact O-CG1 3.47Å; N123-I127 PolarHBondContact O-N 3.31Å
124V97.9Very high96.9Very high0 Ų046.3 Ų46.30%024%0.243CC..Hα-helixtrans-56.5-43.4172.5170.40000111.2I55 L86 Y88 T120 S126 I127 V128 R135I55-V124 HydrophobicContact CB-CG2 4.29Å; I55-V124 HydrophobicContact CG2-CG2 4.29Å; L86-V124 HydrophobicContact CD2-CG1 4.18Å; Y88-V124 HydrophobicContact CD1-CG1 3.84Å; Y88-V124 HydrophobicContact CD1-CG2 4.2Å; Y88-V124 HydrophobicContact CD2-CG2 3.74Å; Y88-V124 HydrophobicContact CE1-CB 4.45Å; Y88-V124 HydrophobicContact CE1-CG1 3.57Å; Y88-V124 HydrophobicContact CE1-CG2 4.29Å; Y88-V124 HydrophobicContact CE2-CG1 4.47Å; Y88-V124 HydrophobicContact CE2-CG2 3.81Å; Y88-V124 HydrophobicContact CG-CG1 4.4Å; Y88-V124 HydrophobicContact CG-CG2 3.9Å; T120-V124 HydrophobicContact CG2-CG2 4.41Å; T120-V124 WeakPolarHBondContact O-CB 3.37Å; T120-V124 WeakPolarHBondContact O-CG2 3.42Å; T120-V124 PolarHBondContact O-N 3.31Å; V124-S126 VanDerWaalsContact C-N 3.34Å; V124-S126 PolarHBondContact O-N 3.13Å; V124-I127 PolarHBondContact O-N 3.35Å; V124-V128 PolarHBondContact O-N 2.86Å; V124-R135 HydrophobicContact CG1-CB 4.02Å
125R97Very high97Very high133 Ų13343.6 Ų43.650%0.50223%0.228SC..Hα-helixtrans-57.7-47.7174.1-168.6176.8174.1169.91111.4F121 K122 N123 V128 Q129 R135F121-R125 WeakPolarHBondContact O-CB 3.24Å; F121-R125 PolarHBondContact O-N 2.81Å; K122-R125 WeakPolarHBondContact O-CB 3.43Å; K122-R125 PolarHBondContact O-N 2.83Å; N123-R125 VanDerWaalsContact C-N 3.29Å; N123-R125 PolarHBondContact O-N 2.99Å; R125-V128 PolarHBondContact O-N 2.93Å; R125-Q129 WeakPolarHBondContact O-CB 3.08Å; R125-Q129 VanDerWaalsContact O-CG 3.24Å; R125-Q129 WeakPolarHBondContact O-CG 3.45Å; R125-Q129 PolarHBondContact O-N 3.43Å; R125-R135 VanDerWaalsContact CB-NH1 3.32Å
126S97.4Very high97Very high39 Ų3941.7 Ų41.727%0.27322%0.216SC..Hα-helixtrans-64.7-38.3179.2-660000112.5F59 K122 N123 V124 Q129 S130F59-S126 WeakPolarHBondContact CZ-O 3.45Å; K122-S126 PolarHBondContact O-N 3.06Å; K122-S126 PolarHBondContact O-OG 3.41Å; N123-S126 CarbonylContact O-C 3.2Å; N123-S126 WeakPolarHBondContact O-CB 3.4Å; N123-S126 PolarHBondContact O-N 3.34Å; V124-S126 VanDerWaalsContact C-N 3.34Å; V124-S126 PolarHBondContact O-N 3.13Å; S126-Q129 PolarHBondContact O-N 2.89Å; S126-S130 PolarHBondContact O-N 3Å; S126-S130 VanDerWaalsContact O-N 3.09Å
127I97.3Very high97Very high1 Ų140.6 Ų40.61%0.00521%0.211CC..Hα-helixtrans-57.2-55.5173.7-66157000109.5I55 F59 P64 T66 L86 N123 V124 Q129 S130 T131I55-I127 HydrophobicContact CG2-CD1 4.38Å; F59-I127 HydrophobicContact CE2-CG1 3.99Å; F59-I127 HydrophobicContact CZ-CG1 4.2Å; P64-I127 HydrophobicContact CB-CG1 4.04Å; P64-I127 HydrophobicContact CB-CG2 4.36Å; T66-I127 HydrophobicContact CG2-CD1 3.65Å; T66-I127 HydrophobicContact CG2-CG1 4.37Å; T66-I127 HydrophobicContact CG2-CG2 4.42Å; L86-I127 HydrophobicContact CD2-CB 4.22Å; L86-I127 HydrophobicContact CD2-CG2 3.72Å; N123-I127 WeakPolarHBondContact O-CD1 3.14Å; N123-I127 VanDerWaalsContact O-CG1 3.24Å; N123-I127 WeakPolarHBondContact O-CG1 3.47Å; N123-I127 PolarHBondContact O-N 3.31Å; V124-I127 PolarHBondContact O-N 3.35Å; I127-Q129 VanDerWaalsContact C-N 3.33Å; I127-Q129 PolarHBondContact O-N 3.41Å; I127-S130 WeakPolarHBondContact O-CA 3.16Å; I127-S130 WeakPolarHBondContact O-CB 3.21Å; I127-S130 PolarHBondContact O-N 2.88Å; I127-T131 HydrophobicContact CG2-CG2 4.37Å; I127-T131 PolarHBondContact O-N 3.06Å; I127-T131 PolarHBondContact O-OG1 3.43Å
128V97Very high97Very high18 Ų1840.9 Ų40.911%0.10921%0.212CC..Hα-helixtrans-66.7-32.8-178.3174.20000112.9L86 V124 R125 S130 G132 G133 R135L86-V128 HydrophobicContact CB-CG2 3.89Å; L86-V128 HydrophobicContact CD2-CG2 3.82Å; V124-V128 PolarHBondContact O-N 2.86Å; R125-V128 PolarHBondContact O-N 2.93Å; V128-S130 PolarHBondContact O-N 3.18Å; V128-G132 WeakPolarHBondContact O-CA 3.48Å; V128-G132 PolarHBondContact O-N 3.42Å; V128-G133 WeakPolarHBondContact CG1-O 3.47Å; V128-R135 HydrophobicContact CG2-CB 3.98Å
129Q95.9Very high96.9Very high133 Ų13338.7 Ų38.762%0.62120%0.2SC*.Hα-helixtrans-60.7-34171-77.8173.6-22.600112.3R125 S126 I127R125-Q129 WeakPolarHBondContact O-CB 3.08Å; R125-Q129 VanDerWaalsContact O-CG 3.24Å; R125-Q129 WeakPolarHBondContact O-CG 3.45Å; R125-Q129 PolarHBondContact O-N 3.43Å; S126-Q129 PolarHBondContact O-N 2.89Å; I127-Q129 VanDerWaalsContact C-N 3.33Å; I127-Q129 PolarHBondContact O-N 3.41Å
130S96Very high96.8Very high55 Ų5534.7 Ų34.739%0.38518%0.184SC..Hα-helixtrans-80-45.6178.11780000112.5S126 I127 V128S126-S130 PolarHBondContact O-N 3Å; S126-S130 VanDerWaalsContact O-N 3.09Å; I127-S130 WeakPolarHBondContact O-CA 3.16Å; I127-S130 WeakPolarHBondContact O-CB 3.21Å; I127-S130 PolarHBondContact O-N 2.88Å; V128-S130 PolarHBondContact O-N 3.18Å
131T95.9Very high96.5Very high0 Ų035 Ų350%019%0.188CC..Hα-helixtrans-84.3-27.9-174.358.80000113.3M68 R81 I127M68-T131 WeakPolarHBondContact O-CG2 3.39Å; R81-T131 PolarHBondContact NE-O 2.99Å; I127-T131 HydrophobicContact CG2-CG2 4.37Å; I127-T131 PolarHBondContact O-N 3.06Å; I127-T131 PolarHBondContact O-OG1 3.43Å
132G95.9Very high96Very high18 Ų1839 Ų3919%0.18621%0.209CC..  trans79.1176.5-159.100000111.8V71 V128V71-G132 WeakPolarHBondContact CG1-O 3.24Å; V128-G132 WeakPolarHBondContact O-CA 3.48Å; V128-G132 PolarHBondContact O-N 3.42Å
133G96.2Very high95.7Very high27 Ų2732 Ų3228%0.27818%0.179SC..SBendtrans106.7-179.7-176.800000113.9R81 S84 V128R81-G133 VanDerWaalsContact O-CA 3.25Å; R81-G133 WeakPolarHBondContact O-CA 3.48Å; S84-G133 CarbonylContact O-C 3.59Å; S84-G133 VanDerWaalsContact O-CA 3.23Å; S84-G133 WeakPolarHBondContact O-CA 3.3Å; V128-G133 WeakPolarHBondContact CG1-O 3.47Å
134G96.6Very high95.3Very high32 Ų3234.2 Ų34.233%0.3319%0.19SC..EExtended strand (participates in β ladder)trans-91.5179.8160.100000111.5S84 V85 L86S84-G134 PolarHBondContact O-N 2.77Å; V85-G134 WeakPolarHBondContact CA-O 2.96Å; L86-G134 PolarHBondContact N-O 2.98Å
135R97Very high95Very high47 Ų4734.3 Ų34.318%0.17719%0.191CC..EExtended strand (participates in β ladder)trans-136.1151.4171.945.5-179.1-168.7165.52.8109.1L86 Y88 F121 V124 R125 V128 N167 E169L86-R135 WeakPolarHBondContact O-CA 3.43Å; Y88-R135 HydrophobicContact CE1-CB 4.44Å; F121-R135 PolarHBondContact O-NH1 2.87Å; V124-R135 HydrophobicContact CG1-CB 4.02Å; R125-R135 VanDerWaalsContact CB-NH1 3.32Å; V128-R135 HydrophobicContact CG2-CB 3.98Å; R135-N167 PolarHBondContact NH2-O 3.02Å; R135-E169 WeakPolarHBondContact CB-OE1 3.26Å; R135-E169 WeakPolarHBondContact CD-OE2 3.11Å; R135-E169 VanDerWaalsContact CG-OE1 3.24Å; R135-E169 WeakPolarHBondContact CG-OE1 3.09Å; R135-E169 IonicContact CZ-OE2 2.67Å; R135-E169 VanDerWaalsContact CZ-OE2 3.27Å; R135-E169 IonicContact NE-OE2 2.88Å; R135-E169 PolarHBondContact NE-OE2 3.08Å; R135-E169 VanDerWaalsContact NE-OE2 3.1Å; R135-E169 IonicContact NH1-OE2 3.2Å; R135-E169 PolarHBondContact NH1-OE2 3.45Å
136F98Very high94.6Very high44 Ų4430.8 Ų30.819%0.19318%0.182CC..EExtended strand (participates in β ladder)trans-152.9124.9178.6-160.2-70.7000109.4F47 V85 L86 Y88 T138 E169 S170 T172F47-F136 HydrophobicContact CD1-CB 4.34Å; F47-F136 HydrophobicContact CE1-CB 3.73Å; F47-F136 HydrophobicContact CE1-CD1 4.26Å; F47-F136 AromaticContact CE1-CD2 3.81Å; F47-F136 HydrophobicContact CE1-CD2 3.81Å; F47-F136 HydrophobicContact CE1-CE2 4.48Å; F47-F136 AromaticContact CE1-CG 3.68Å; F47-F136 HydrophobicContact CE1-CG 3.68Å; F47-F136 HydrophobicContact CZ-CD2 4.14Å; F47-F136 HydrophobicContact CZ-CG 4.47Å; V85-F136 HydrophobicContact CG1-CB 3.61Å; L86-F136 PolarHBondContact O-N 2.97Å; Y88-F136 VanDerWaalsContact CD1-O 3.22Å; Y88-F136 WeakPolarHBondContact CD1-O 3.27Å; Y88-F136 VanDerWaalsContact CE1-C 3.5Å; Y88-F136 PolarHBondContact N-O 2.86Å; F136-T138 HydrophobicContact CB-CG2 4.34Å; F136-T138 HydrophobicContact CD1-CG2 3.57Å; F136-T138 HydrophobicContact CE1-CG2 4.27Å; F136-T138 HydrophobicContact CG-CG2 4.29Å; F136-T138 PolarHBondContact O-N 2.68Å; F136-E169 WeakPolarHBondContact CA-OE1 3.46Å; F136-E169 PolarHBondContact N-OE1 2.9Å; F136-S170 VanDerWaalsContact CD2-CB 3.46Å; F136-T172 HydrophobicContact CE1-CG2 3.81Å; F136-T172 HydrophobicContact CZ-CG2 4.04Å
137L97.9Very high94.1Very high0 Ų030.7 Ų30.70%019%0.187CC..EExtended strand (participates in β ladder)trans-74.788.4173175.162000108.7Y88 F121 E139 F140 V160 E169 S170 W171 T172Y88-L137 HydrophobicContact CD2-CD1 3.95Å; Y88-L137 HydrophobicContact CE1-CB 4.12Å; Y88-L137 HydrophobicContact CE2-CB 4.25Å; Y88-L137 HydrophobicContact CE2-CD1 3.6Å; Y88-L137 HydrophobicContact CE2-CG 4.48Å; Y88-L137 CarbonylContact O-C 3.55Å; Y88-L137 WeakPolarHBondContact O-CA 3.5Å; F121-L137 HydrophobicContact CZ-CD2 4.13Å; L137-E139 VanDerWaalsContact C-N 3.33Å; L137-E139 VanDerWaalsContact CD1-O 3.31Å; L137-E139 WeakPolarHBondContact CD1-O 3.37Å; L137-E139 PolarHBondContact O-N 2.92Å; L137-F140 HydrophobicContact CD2-CB 4.25Å; L137-F140 HydrophobicContact CD2-CD1 3.9Å; L137-F140 HydrophobicContact CD2-CG 4.26Å; L137-F140 HydrophobicContact CG-CD1 4.22Å; L137-V160 HydrophobicContact CD2-CG1 3.89Å; L137-E169 HydrophobicContact CB-CG 4.05Å; L137-S170 PolarHBondContact N-O 3.38Å; L137-W171 HydrophobicContact CB-CB 4.04Å; L137-W171 HydrophobicContact CD2-CB 4.16Å; L137-W171 HydrophobicContact CG-CB 4.3Å; L137-W171 CarbonylContact O-C 3.43Å; L137-W171 WeakPolarHBondContact O-CA 3.48Å; L137-T172 PolarHBondContact O-N 3.09Å
138T96.7Very high93.9Very high6 Ų633.8 Ų33.84%0.03720%0.204CC..EExtended strand (participates in β ladder)trans-76.8-21.8-171.444.20000113.9M1 F47 S87 Y88 H89 F136 T172M1-T138 HydrophobicContact CE-CG2 3.94Å; M1-T138 HydrophobicContact SD-CG2 3.98Å; F47-T138 HydrophobicContact CD1-CG2 4.05Å; F47-T138 HydrophobicContact CE1-CG2 4.35Å; S87-T138 WeakPolarHBondContact OG-CB 3.29Å; S87-T138 WeakPolarHBondContact OG-CG2 3.27Å; S87-T138 PolarHBondContact OG-OG1 2.98Å; Y88-T138 PolarHBondContact N-OG1 2.74Å; Y88-T138 PolarHBondContact O-N 2.84Å; Y88-T138 PolarHBondContact O-OG1 2.62Å; H89-T138 PolarHBondContact CD2-OG1 3.05Å; H89-T138 PolarHBondContact NE2-OG1 2.86Å; H89-T138 VanDerWaalsContact NE2-OG1 3.08Å; F136-T138 HydrophobicContact CB-CG2 4.34Å; F136-T138 HydrophobicContact CD1-CG2 3.57Å; F136-T138 HydrophobicContact CE1-CG2 4.27Å; F136-T138 HydrophobicContact CG-CG2 4.29Å; F136-T138 PolarHBondContact O-N 2.68Å; T138-T172 VanDerWaalsContact C-OG1 3.25Å; T138-T172 VanDerWaalsContact CA-OG1 3.29Å; T138-T172 WeakPolarHBondContact CA-OG1 3.29Å; T138-T172 PolarHBondContact O-OG1 2.98Å
139E95.1Very high93.8Very high11 Ų1137.4 Ų37.45%0.05123%0.228CC..EExtended strand (participates in β ladder)trans-142.8133.2170.5-60-177.8-17100111.7N3 H89 Y90 Y91 L137 W174N3-E139 PolarHBondContact ND2-OE1 2.99Å; N3-E139 PolarHBondContact OD1-OE1 3.19Å; N3-E139 VanDerWaalsContact OD1-OE1 3.13Å; H89-E139 CarbonylContact C-O 3.59Å; H89-E139 VanDerWaalsContact CA-O 3.24Å; H89-E139 WeakPolarHBondContact CA-O 3.49Å; H89-E139 HydrophobicContact CB-CB 4.03Å; H89-E139 VanDerWaalsContact CD2-CB 3.41Å; H89-E139 WeakPolarHBondContact CD2-CB 3.29Å; H89-E139 PolarHBondContact CD2-N 2.84Å; H89-E139 IonicContact CE1-OE1 3.4Å; H89-E139 PolarHBondContact CE1-OE1 3.4Å; H89-E139 VanDerWaalsContact CE1-OE1 3.31Å; H89-E139 IonicContact CE1-OE2 2.65Å; H89-E139 IonicContact CG-OE2 3.1Å; H89-E139 IonicContact ND1-OE1 3.27Å; H89-E139 IonicContact ND1-OE2 3.76Å; H89-E139 PolarHBondContact ND1-OE2 2.73Å; H89-E139 WeakPolarHBondContact NE2-CG 3.19Å; H89-E139 IonicContact NE2-OE1 2.68Å; Y90-E139 PolarHBondContact N-O 2.91Å; Y91-E139 HydrophobicContact CE2-CB 4.45Å; Y91-E139 PolarHBondContact OH-OE2 2.9Å; Y91-E139 VanDerWaalsContact OH-OE2 3.1Å; L137-E139 VanDerWaalsContact C-N 3.33Å; L137-E139 VanDerWaalsContact CD1-O 3.31Å; L137-E139 WeakPolarHBondContact CD1-O 3.37Å; L137-E139 PolarHBondContact O-N 2.92Å; E139-W174 HydrophobicContact CB-CB 4.02Å; E139-W174 HydrophobicContact CG-CB 4.13Å
140F94.8Very high93.7Very high1 Ų136.5 Ų36.50%0.00422%0.224CC..EExtended strand (participates in β ladder)trans-144.7155.4154.371.4-74.9000106.4Y90 L137 V160 L161 W171 T172 Y173 W174 F193Y90-F140 WeakPolarHBondContact O-CA 3.27Å; Y90-F140 WeakPolarHBondContact O-CB 3.39Å; L137-F140 HydrophobicContact CD2-CB 4.25Å; L137-F140 HydrophobicContact CD2-CD1 3.9Å; L137-F140 HydrophobicContact CD2-CG 4.26Å; L137-F140 HydrophobicContact CG-CD1 4.22Å; F140-V160 HydrophobicContact CB-CG1 4.04Å; F140-V160 HydrophobicContact CD1-CG1 4.4Å; F140-V160 HydrophobicContact CD2-CB 4.15Å; F140-V160 HydrophobicContact CD2-CG1 3.64Å; F140-V160 HydrophobicContact CE2-CG1 4.2Å; F140-V160 HydrophobicContact CG-CG1 3.75Å; F140-L161 HydrophobicContact CE1-CD2 4.45Å; F140-L161 HydrophobicContact CE2-CD2 4.23Å; F140-L161 HydrophobicContact CE2-CG 4.34Å; F140-L161 HydrophobicContact CZ-CD2 3.69Å; F140-L161 HydrophobicContact CZ-CG 4.28Å; F140-W171 HydrophobicContact CD1-CB 4.43Å; F140-W171 HydrophobicContact CE1-CB 4.03Å; F140-W171 AromaticContact CE1-CD2 3.92Å; F140-W171 HydrophobicContact CE1-CD2 3.92Å; F140-W171 AromaticContact CE1-CE3 3.5Å; F140-W171 HydrophobicContact CE1-CE3 3.5Å; F140-W171 HydrophobicContact CE1-CG 4.18Å; F140-W171 HydrophobicContact CE1-CZ3 4.24Å; F140-W171 HydrophobicContact CZ-CD2 4.27Å; F140-W171 AromaticContact CZ-CE3 3.83Å; F140-W171 HydrophobicContact CZ-CE3 3.83Å; F140-W171 HydrophobicContact CZ-CZ3 4.16Å; F140-T172 WeakPolarHBondContact CD1-O 3.37Å; F140-Y173 HydrophobicContact CD2-CD2 4.13Å; F140-Y173 HydrophobicContact CE1-CD2 4.3Å; F140-Y173 AromaticContact CE2-CD2 3.64Å; F140-Y173 HydrophobicContact CE2-CD2 3.64Å; F140-Y173 HydrophobicContact CE2-CE2 4.36Å; F140-Y173 AromaticContact CZ-CD2 3.72Å; F140-Y173 HydrophobicContact CZ-CD2 3.72Å; F140-Y173 HydrophobicContact CZ-CG 4.3Å; F140-Y173 WeakPolarHBondContact O-CD2 3.26Å; F140-W174 PolarHBondContact O-N 3.12Å; F140-F193 HydrophobicContact CE2-CE1 4.2Å; F140-F193 HydrophobicContact CZ-CE1 4.06Å
141G91.5Very high93.7Very high8 Ų833.9 Ų33.98%0.08221%0.205CC..  trans178.5-154.6-175.800000111.6C143G141-C143 PolarHBondContact O-N 2.05Å
142L87.8Confident93.7Very high84 Ų8434 Ų3444%0.4421%0.206SC..SBendtrans59.322.4-170-51.2177.3000112.9Y91 Q96Y91-L142 HydrophobicContact CD1-CD1 3.82Å; Y91-L142 HydrophobicContact CD1-CG 3.92Å; Y91-L142 HydrophobicContact CE1-CD1 4.27Å; Y91-L142 HydrophobicContact CE1-CG 3.98Å; Q96-L142 HydrophobicContact CG-CD1 3.95Å
143C90.4Very high93.6Very high2 Ų234 Ų341%0.01420%0.201CC..  trans-144.4134.6172.565.60000107.9G141 N153 E156 C157 Y173G141-C143 PolarHBondContact O-N 2.05Å; C143-N153 WeakPolarHBondContact CB-O 3.37Å; C143-E156 HydrophobicContact CB-CB 4.09Å; C143-E156 HydrophobicContact CB-CG 4.22Å; C143-C157 HydrophobicContact CB-CB 3.94Å; C143-C157 WeakPolarHBondContact CB-SG 3.12Å; C143-C157 PolarHBondContact O-SG 3.43Å; C143-C157 WeakPolarHBondContact SG-CA 3.13Å; C143-C157 WeakPolarHBondContact SG-CB 3.29Å; C143-C157 PolarHBondContact SG-N 3Å; C143-C157 VanDerWaalsContact SG-N 3.43Å; C143-C157 CovalentContact SG-SG 2.05Å; C143-C157 PolarHBondContact SG-SG 3.26Å; C143-Y173 VanDerWaalsContact O-CE2 3.29Å; C143-Y173 WeakPolarHBondContact O-CE2 3.37Å; C143-Y173 PolarHBondContact O-OH 3.24Å
144L90.1Very high93.5Very high59 Ų5933.2 Ų33.231%0.30919%0.192SC..  trans-139.8109.3173.317864000108.1D146 N153 L179 F193L144-D146 PolarHBondContact O-N 2.93Å; L144-D146 VanDerWaalsContact O-N 3.16Å; L144-N153 PolarHBondContact N-OD1 2.89Å; L144-N153 WeakPolarHBondContact O-CB 3.09Å; L144-N153 PolarHBondContact O-ND2 2.84Å; L144-N153 PolarHBondContact O-OD1 3.45Å; L144-L179 HydrophobicContact CD1-CD1 3.99Å; L144-L179 HydrophobicContact CD1-CD2 3.67Å; L144-L179 HydrophobicContact CD1-CG 3.96Å; L144-F193 HydrophobicContact CD1-CE2 4Å
145P90.1Very high93.5Very high2 Ų232.8 Ų32.81%0.01318%0.182CC..  trans-55.1124.5-175.3-29.639000111.4C157 S189 S192P145-C157 HydrophobicContact CG-CB 3.7Å; P145-S189 PolarHBondContact O-OG 3.45Å; P145-S192 WeakPolarHBondContact CG-OG 3.47Å
146D89.3Confident93.4Very high59 Ų5930.9 Ų30.932%0.31618%0.176SC..  trans-113.67.6-167.657.612.8000112.8L144 N148 S151 N153 T154L144-D146 PolarHBondContact O-N 2.93Å; L144-D146 VanDerWaalsContact O-N 3.16Å; D146-N148 VanDerWaalsContact C-N 3.27Å; D146-N148 PolarHBondContact O-N 3.1Å; D146-N148 WeakPolarHBondContact OD1-CB 3.07Å; D146-N148 PolarHBondContact OD1-N 3.02Å; D146-N148 VanDerWaalsContact OD1-N 3.1Å; D146-S151 VanDerWaalsContact CG-OG 3.29Å; D146-S151 PolarHBondContact OD1-OG 3.25Å; D146-S151 PolarHBondContact OD2-OG 2.92Å; D146-N153 WeakPolarHBondContact OD2-CB 3.22Å; D146-N153 PolarHBondContact OD2-ND2 3.44Å; D146-T154 PolarHBondContact N-OG1 3.4Å; D146-T154 PolarHBondContact OD1-OG1 3.07Å
147G87.4Confident93.3Very high37 Ų3728.8 Ų28.838%0.38117%0.166SC..SBendtrans84.7-7.8-179.100000115P149G147-P149 WeakPolarHBondContact O-CD 3.24Å
148N93.2Very high93.1Very high66 Ų6629.8 Ų29.835%0.35317%0.172SC..  trans-88.3113168.4179.23.3000109.3D146 E150 S151 T154D146-N148 VanDerWaalsContact C-N 3.27Å; D146-N148 PolarHBondContact O-N 3.1Å; D146-N148 WeakPolarHBondContact OD1-CB 3.07Å; D146-N148 PolarHBondContact OD1-N 3.02Å; D146-N148 VanDerWaalsContact OD1-N 3.1Å; N148-E150 PolarHBondContact O-N 3.12Å; N148-E150 VanDerWaalsContact O-N 3.12Å; N148-E150 PolarHBondContact OD1-N 2.81Å; N148-S151 PolarHBondContact O-N 3.3Å; N148-S151 PolarHBondContact O-OG 3.47Å; N148-T154 WeakPolarHBondContact O-CB 3.44Å; N148-T154 PolarHBondContact O-OG1 3.48Å
149P93.3Very high93.1Very high94 Ų9430 Ų3061%0.6117%0.174SC*.THydrogen-bonded Turntrans-66.3-14.3-177.728.4-35.5000113.8G147 V155G147-P149 WeakPolarHBondContact O-CD 3.24Å; P149-V155 VanDerWaalsContact O-CG2 3.31Å; P149-V155 WeakPolarHBondContact O-CG2 3.42Å
150E95.7Very high93.3Very high115 Ų11529.6 Ų29.654%0.53717%0.172SC..THydrogen-bonded Turntrans-102.4-7-178.4-58.4-177.9168.900113.1H103 M104 N148H103-E150 CarbonylContact C-O 3.57Å; H103-E150 WeakPolarHBondContact CA-O 3.41Å; H103-E150 IonicContact CD2-OE2 3.44Å; M104-E150 PolarHBondContact N-O 3.11Å; N148-E150 PolarHBondContact O-N 3.12Å; N148-E150 VanDerWaalsContact O-N 3.12Å; N148-E150 PolarHBondContact OD1-N 2.81Å
151S95.9Very high93.4Very high0 Ų029.6 Ų29.60%017%0.172CC..BIsolated β-bridgetrans-70150.6179.367.60000111.6E102 D146 N148 N153 T154 V155E102-S151 CarbonylContact O-C 3.53Å; E102-S151 WeakPolarHBondContact O-CA 3.25Å; D146-S151 VanDerWaalsContact CG-OG 3.29Å; D146-S151 PolarHBondContact OD1-OG 3.25Å; D146-S151 PolarHBondContact OD2-OG 2.92Å; N148-S151 PolarHBondContact O-N 3.3Å; N148-S151 PolarHBondContact O-OG 3.47Å; S151-N153 PolarHBondContact O-N 2.82Å; S151-N153 WeakPolarHBondContact OG-CB 3.39Å; S151-T154 PolarHBondContact O-N 3.38Å; S151-T154 PolarHBondContact OG-N 2.91Å; S151-T154 PolarHBondContact OG-OG1 3Å; S151-V155 WeakPolarHBondContact O-CB 3.29Å; S151-V155 VanDerWaalsContact O-CG2 3.26Å; S151-V155 WeakPolarHBondContact O-CG2 3.4Å; S151-V155 PolarHBondContact O-N 3.45Å
152I95.8Very high93.7Very high2 Ų231.8 Ų31.81%0.0118%0.182CC..Hα-helixtrans-54.5-42.4172.9-71.5166.6000110.6L95 T98 A100 E102 M104 T154 E156L95-I152 HydrophobicContact CB-CG2 4.29Å; L95-I152 HydrophobicContact CD1-CG2 4.02Å; L95-I152 HydrophobicContact CD2-CG2 4.13Å; L95-I152 HydrophobicContact CG-CG2 4.37Å; T98-I152 HydrophobicContact CG2-CD1 3.41Å; T98-I152 VanDerWaalsContact CG2-CD1 3.41Å; A100-I152 HydrophobicContact CB-CG2 4.34Å; A100-I152 WeakPolarHBondContact O-CB 3.38Å; A100-I152 PolarHBondContact O-N 2.84Å; E102-I152 WeakPolarHBondContact O-CG1 3.4Å; E102-I152 PolarHBondContact O-N 3.44Å; M104-I152 HydrophobicContact CB-CG1 3.98Å; M104-I152 HydrophobicContact CE-CB 4.17Å; M104-I152 HydrophobicContact CE-CG1 3.99Å; M104-I152 HydrophobicContact CE-CG2 3.98Å; M104-I152 HydrophobicContact SD-CG1 3.87Å; I152-T154 PolarHBondContact O-N 3.11Å; I152-E156 VanDerWaalsContact O-CB 3.22Å; I152-E156 WeakPolarHBondContact O-CB 3.39Å; I152-E156 PolarHBondContact O-N 3.16Å
153N93.5Very high94.1Very high17 Ų1727.8 Ų27.89%0.09116%0.161CC..Hα-helixtrans-46.6-58.6173-94.7-26000112.7A100 C143 L144 D146 S151 C157A100-N153 WeakPolarHBondContact CB-OD1 3.44Å; A100-N153 WeakPolarHBondContact O-CB 3.35Å; A100-N153 PolarHBondContact O-N 3.41Å; A100-N153 PolarHBondContact O-ND2 2.79Å; C143-N153 WeakPolarHBondContact CB-O 3.37Å; L144-N153 PolarHBondContact N-OD1 2.89Å; L144-N153 WeakPolarHBondContact O-CB 3.09Å; L144-N153 PolarHBondContact O-ND2 2.84Å; L144-N153 PolarHBondContact O-OD1 3.45Å; D146-N153 WeakPolarHBondContact OD2-CB 3.22Å; D146-N153 PolarHBondContact OD2-ND2 3.44Å; S151-N153 PolarHBondContact O-N 2.82Å; S151-N153 WeakPolarHBondContact OG-CB 3.39Å; N153-C157 WeakPolarHBondContact O-CB 3.33Å; N153-C157 PolarHBondContact O-N 3.17Å
154T93.9Very high94.5Very high12 Ų1227.7 Ų27.77%0.07416%0.16CC..Hα-helixtrans-75.9-41.6-175.1-58.70000111.4D146 N148 S151 I152 N158D146-T154 PolarHBondContact N-OG1 3.4Å; D146-T154 PolarHBondContact OD1-OG1 3.07Å; N148-T154 WeakPolarHBondContact O-CB 3.44Å; N148-T154 PolarHBondContact O-OG1 3.48Å; S151-T154 PolarHBondContact O-N 3.38Å; S151-T154 PolarHBondContact OG-N 2.91Å; S151-T154 PolarHBondContact OG-OG1 3Å; I152-T154 PolarHBondContact O-N 3.11Å; T154-N158 WeakPolarHBondContact CG2-ND2 3.25Å; T154-N158 VanDerWaalsContact O-CB 3.23Å; T154-N158 WeakPolarHBondContact O-CB 3.38Å; T154-N158 VanDerWaalsContact O-CG 3.24Å; T154-N158 PolarHBondContact O-N 3.37Å; T154-N158 PolarHBondContact O-ND2 3.02Å
155V96Very high94.9Very high22 Ų2225.3 Ų25.313%0.13315%0.148CC..Hα-helixtrans-64.7-51-177.2175.10000111.5M104 Q109 P149 S151 A159M104-V155 HydrophobicContact CB-CB 4.14Å; M104-V155 HydrophobicContact CB-CG1 4.24Å; M104-V155 HydrophobicContact CB-CG2 4.12Å; M104-V155 HydrophobicContact CE-CB 4.25Å; M104-V155 HydrophobicContact CE-CG1 4.07Å; M104-V155 HydrophobicContact CG-CB 4.34Å; M104-V155 HydrophobicContact CG-CG1 3.95Å; Q109-V155 HydrophobicContact CG-CG1 4.05Å; P149-V155 VanDerWaalsContact O-CG2 3.31Å; P149-V155 WeakPolarHBondContact O-CG2 3.42Å; S151-V155 WeakPolarHBondContact O-CB 3.29Å; S151-V155 VanDerWaalsContact O-CG2 3.26Å; S151-V155 WeakPolarHBondContact O-CG2 3.4Å; S151-V155 PolarHBondContact O-N 3.45Å; V155-A159 VanDerWaalsContact O-CB 3.28Å; V155-A159 WeakPolarHBondContact O-CB 3.41Å; V155-A159 PolarHBondContact O-N 2.98Å
156E96Very high95.2Very high8 Ų831.3 Ų31.34%0.03717%0.171CC..Hα-helixtrans-65.4-48.4-177.6179.267.1-178.500111.3Y90 C92 L95 M104 C143 I152 N158 A159 V160Y90-E156 VanDerWaalsContact CE1-OE1 3.27Å; Y90-E156 WeakPolarHBondContact CE1-OE1 3.47Å; Y90-E156 PolarHBondContact OH-OE1 3.23Å; C92-E156 WeakPolarHBondContact CB-OE1 3.33Å; L95-E156 HydrophobicContact CD1-CB 3.87Å; L95-E156 VanDerWaalsContact CD1-CD 3.47Å; L95-E156 HydrophobicContact CD1-CG 3.65Å; L95-E156 WeakPolarHBondContact CD1-OE2 3.35Å; M104-E156 HydrophobicContact CE-CB 4.22Å; C143-E156 HydrophobicContact CB-CB 4.09Å; C143-E156 HydrophobicContact CB-CG 4.22Å; I152-E156 VanDerWaalsContact O-CB 3.22Å; I152-E156 WeakPolarHBondContact O-CB 3.39Å; I152-E156 PolarHBondContact O-N 3.16Å; E156-N158 PolarHBondContact O-N 2.9Å; E156-A159 WeakPolarHBondContact O-CB 3.35Å; E156-A159 PolarHBondContact O-N 3.3Å; E156-A159 VanDerWaalsContact O-N 3.11Å; E156-V160 HydrophobicContact CG-CG2 4.48Å; E156-V160 WeakPolarHBondContact O-CG2 3.18Å; E156-V160 PolarHBondContact O-N 3.1Å
157C94.3Very high95.6Very high0 Ų030 Ų300%016%0.164CC..Hα-helixtrans-62-44.1-179.2-95.70000112C143 P145 N153 A159 V160 L161C143-C157 HydrophobicContact CB-CB 3.94Å; C143-C157 WeakPolarHBondContact CB-SG 3.12Å; C143-C157 PolarHBondContact O-SG 3.43Å; C143-C157 WeakPolarHBondContact SG-CA 3.13Å; C143-C157 WeakPolarHBondContact SG-CB 3.29Å; C143-C157 PolarHBondContact SG-N 3Å; C143-C157 VanDerWaalsContact SG-N 3.43Å; C143-C157 CovalentContact SG-SG 2.05Å; C143-C157 PolarHBondContact SG-SG 3.26Å; P145-C157 HydrophobicContact CG-CB 3.7Å; N153-C157 WeakPolarHBondContact O-CB 3.33Å; N153-C157 PolarHBondContact O-N 3.17Å; C157-A159 VanDerWaalsContact C-N 3.31Å; C157-A159 PolarHBondContact O-N 3.17Å; C157-V160 PolarHBondContact O-N 3.43Å; C157-L161 WeakPolarHBondContact O-CB 3.28Å; C157-L161 VanDerWaalsContact O-CG 3.24Å; C157-L161 WeakPolarHBondContact O-CG 3.36Å; C157-L161 PolarHBondContact O-N 2.89Å
158N95.3Very high96.1Very high21 Ų2131.7 Ų31.711%0.11216%0.161CC..Hα-helixtrans-65.3-36.7175.6-72.5-18.2000111.2T154 E156 N162 S192T154-N158 WeakPolarHBondContact CG2-ND2 3.25Å; T154-N158 VanDerWaalsContact O-CB 3.23Å; T154-N158 WeakPolarHBondContact O-CB 3.38Å; T154-N158 VanDerWaalsContact O-CG 3.24Å; T154-N158 PolarHBondContact O-N 3.37Å; T154-N158 PolarHBondContact O-ND2 3.02Å; E156-N158 PolarHBondContact O-N 2.9Å; N158-N162 WeakPolarHBondContact O-CB 3.18Å; N158-N162 PolarHBondContact O-N 3.22Å; N158-N162 PolarHBondContact O-ND2 2.67Å; N158-S192 PolarHBondContact OD1-OG 2.89Å
159A96.9Very high96.2Very high11 Ų1129 Ų299%0.09115%0.146CC..Hα-helixtrans-62.1-48.4176.200000112.1D113 L117 V155 E156 C157 N162 A163D113-A159 WeakPolarHBondContact OD1-CB 3.44Å; L117-A159 HydrophobicContact CD2-CB 4.26Å; V155-A159 VanDerWaalsContact O-CB 3.28Å; V155-A159 WeakPolarHBondContact O-CB 3.41Å; V155-A159 PolarHBondContact O-N 2.98Å; E156-A159 WeakPolarHBondContact O-CB 3.35Å; E156-A159 PolarHBondContact O-N 3.3Å; E156-A159 VanDerWaalsContact O-N 3.11Å; C157-A159 VanDerWaalsContact C-N 3.31Å; C157-A159 PolarHBondContact O-N 3.17Å; A159-N162 PolarHBondContact O-N 3.21Å; A159-A163 WeakPolarHBondContact O-CB 3.24Å; A159-A163 PolarHBondContact O-N 2.86Å
160V97.7Very high96.4Very high2 Ų227.8 Ų27.81%0.01214%0.139CC..Hα-helixtrans-61.6-49177.7177.20000111.2Y90 L117 L137 F140 E156 C157 N162 A163 A164Y90-V160 HydrophobicContact CD1-CG1 4.41Å; Y90-V160 HydrophobicContact CD1-CG2 3.7Å; Y90-V160 HydrophobicContact CE1-CG2 3.45Å; Y90-V160 VanDerWaalsContact CE1-CG2 3.45Å; L117-V160 HydrophobicContact CD1-CG2 4.2Å; L137-V160 HydrophobicContact CD2-CG1 3.89Å; F140-V160 HydrophobicContact CB-CG1 4.04Å; F140-V160 HydrophobicContact CD1-CG1 4.4Å; F140-V160 HydrophobicContact CD2-CB 4.15Å; F140-V160 HydrophobicContact CD2-CG1 3.64Å; F140-V160 HydrophobicContact CE2-CG1 4.2Å; F140-V160 HydrophobicContact CG-CG1 3.75Å; E156-V160 HydrophobicContact CG-CG2 4.48Å; E156-V160 WeakPolarHBondContact O-CG2 3.18Å; E156-V160 PolarHBondContact O-N 3.1Å; C157-V160 PolarHBondContact O-N 3.43Å; V160-N162 PolarHBondContact O-N 3.46Å; V160-A163 CarbonylContact O-C 3.54Å; V160-A163 WeakPolarHBondContact O-CB 3.49Å; V160-A163 PolarHBondContact O-N 2.98Å; V160-A163 VanDerWaalsContact O-N 3.12Å; V160-A164 PolarHBondContact O-N 2.91Å
161L97.1Very high96.5Very high0 Ų025.4 Ų25.40%013%0.126CC..Hα-helixtrans-65.8-40.1-179.7-69173.4000112.2F140 C157 A163 A164 D165 W171 S192 F193F140-L161 HydrophobicContact CE1-CD2 4.45Å; F140-L161 HydrophobicContact CE2-CD2 4.23Å; F140-L161 HydrophobicContact CE2-CG 4.34Å; F140-L161 HydrophobicContact CZ-CD2 3.69Å; F140-L161 HydrophobicContact CZ-CG 4.28Å; C157-L161 WeakPolarHBondContact O-CB 3.28Å; C157-L161 VanDerWaalsContact O-CG 3.24Å; C157-L161 WeakPolarHBondContact O-CG 3.36Å; C157-L161 PolarHBondContact O-N 2.89Å; L161-A163 VanDerWaalsContact C-N 3.29Å; L161-A163 PolarHBondContact O-N 3.43Å; L161-A164 WeakPolarHBondContact O-CB 3.49Å; L161-A164 PolarHBondContact O-N 3.33Å; L161-D165 PolarHBondContact O-N 3.07Å; L161-W171 HydrophobicContact CD2-CD2 3.79Å; L161-W171 HydrophobicContact CD2-CE3 4.28Å; L161-W171 HydrophobicContact CD2-CG 4.33Å; L161-W171 HydrophobicContact CD2-CH2 3.97Å; L161-W171 HydrophobicContact CD2-CZ2 3.45Å; L161-W171 VanDerWaalsContact CD2-CZ2 3.45Å; L161-W171 HydrophobicContact CD2-CZ3 4.35Å; L161-S192 WeakPolarHBondContact CD1-O 3.47Å; L161-F193 HydrophobicContact CD1-CD1 3.92Å; L161-F193 HydrophobicContact CD1-CE1 4.21Å
162N97.6Very high96.4Very high54 Ų5428.4 Ų28.429%0.28914%0.144SC..Hα-helixtrans-64.3-35.4173.2-70.9-25000111.4N158 A159 V160 R166 R195N158-N162 WeakPolarHBondContact O-CB 3.18Å; N158-N162 PolarHBondContact O-N 3.22Å; N158-N162 PolarHBondContact O-ND2 2.67Å; A159-N162 PolarHBondContact O-N 3.21Å; V160-N162 PolarHBondContact O-N 3.46Å; N162-R166 VanDerWaalsContact C-NH1 3.26Å; N162-R166 VanDerWaalsContact O-CG 3.29Å; N162-R166 WeakPolarHBondContact O-CG 3.36Å; N162-R166 PolarHBondContact O-N 2.91Å; N162-R166 VanDerWaalsContact O-N 3.1Å; N162-R166 PolarHBondContact O-NH1 3.03Å; N162-R166 VanDerWaalsContact O-NH1 3.13Å; N162-R195 PolarHBondContact OD1-NH2 2.84Å
163A98Very high96.2Very high0 Ų030.3 Ų30.30%015%0.151CC..Hα-helixtrans-69.8-37.9174.800000112L117 F121 A159 V160 L161 R166 N167L117-A163 HydrophobicContact CD1-CB 4.1Å; L117-A163 HydrophobicContact CD2-CB 3.63Å; L117-A163 HydrophobicContact CG-CB 3.82Å; F121-A163 HydrophobicContact CD2-CB 4.27Å; F121-A163 HydrophobicContact CE2-CB 4.01Å; F121-A163 HydrophobicContact CZ-CB 4.2Å; A159-A163 WeakPolarHBondContact O-CB 3.24Å; A159-A163 PolarHBondContact O-N 2.86Å; V160-A163 CarbonylContact O-C 3.54Å; V160-A163 WeakPolarHBondContact O-CB 3.49Å; V160-A163 PolarHBondContact O-N 2.98Å; V160-A163 VanDerWaalsContact O-N 3.12Å; L161-A163 VanDerWaalsContact C-N 3.29Å; L161-A163 PolarHBondContact O-N 3.43Å; A163-R166 PolarHBondContact O-N 3.13Å; A163-N167 WeakPolarHBondContact O-CB 3.49Å; A163-N167 PolarHBondContact O-N 3.49Å; A163-N167 VanDerWaalsContact O-N 3.08Å; A163-N167 PolarHBondContact O-ND2 3.26Å
164A98.1Very high95.9Very high0 Ų035 Ų350%017%0.168CC..Hα-helixtrans-60-48.9174.200000111.1F121 V160 L161 R166 N167 F168 E169F121-A164 HydrophobicContact CE1-CB 4.42Å; F121-A164 HydrophobicContact CZ-CB 4.3Å; V160-A164 PolarHBondContact O-N 2.91Å; L161-A164 WeakPolarHBondContact O-CB 3.49Å; L161-A164 PolarHBondContact O-N 3.33Å; A164-R166 PolarHBondContact O-N 3.1Å; A164-N167 CarbonylContact O-C 3.51Å; A164-N167 PolarHBondContact O-N 3.48Å; A164-N167 VanDerWaalsContact O-N 3.11Å; A164-F168 PolarHBondContact O-N 3.12Å; A164-E169 HydrophobicContact CB-CB 4.2Å; A164-E169 PolarHBondContact O-N 2.84Å
165D97.9Very high94.8Very high10 Ų1038.4 Ų38.45%0.05319%0.186CC..Hα-helixtrans-55.3-51.8174.2-74.3-5.1000111.9L161 N167 F168 R195 L208L161-D165 PolarHBondContact O-N 3.07Å; D165-N167 PolarHBondContact O-N 2.99Å; D165-N167 VanDerWaalsContact O-N 3.1Å; D165-F168 PolarHBondContact O-N 2.91Å; D165-F168 VanDerWaalsContact O-N 3.09Å; D165-R195 IonicContact OD1-NE 3.81Å; D165-R195 PolarHBondContact OD1-NE 2.8Å; D165-R195 IonicContact OD2-CZ 3.87Å; D165-R195 IonicContact OD2-NE 3.84Å; D165-R195 PolarHBondContact OD2-NE 2.87Å; D165-R195 IonicContact OD2-NH2 2.77Å; D165-R195 PolarHBondContact OD2-NH2 3.44Å; D165-L208 HydrophobicContact CB-CD2 4.2Å; D165-L208 HydrophobicContact CB-CG 4.07Å
166R97.4Very high93.3Very high128 Ų12838 Ų3848%0.48319%0.185SC..Hα-helixtrans-58.8-26.5179.7-74.7-170.3-51.9-88.88.8113.2N162 A163 A164N162-R166 VanDerWaalsContact C-NH1 3.26Å; N162-R166 VanDerWaalsContact O-CG 3.29Å; N162-R166 WeakPolarHBondContact O-CG 3.36Å; N162-R166 PolarHBondContact O-N 2.91Å; N162-R166 VanDerWaalsContact O-N 3.1Å; N162-R166 PolarHBondContact O-NH1 3.03Å; N162-R166 VanDerWaalsContact O-NH1 3.13Å; A163-R166 PolarHBondContact O-N 3.13Å; A164-R166 PolarHBondContact O-N 3.1Å
167N97.3Very high91.8Very high31 Ų3146.8 Ų46.817%0.16622%0.219CC..Hα-helixtrans-102.82-177.7-76.5-82.4000113.7F121 R135 A163 A164 D165 E169F121-N167 HydrophobicContact CD1-CB 3.53Å; F121-N167 VanDerWaalsContact CD1-CG 3.48Å; F121-N167 WeakPolarHBondContact CD1-ND2 3.46Å; F121-N167 HydrophobicContact CE1-CB 4.01Å; R135-N167 PolarHBondContact NH2-O 3.02Å; A163-N167 WeakPolarHBondContact O-CB 3.49Å; A163-N167 PolarHBondContact O-N 3.49Å; A163-N167 VanDerWaalsContact O-N 3.08Å; A163-N167 PolarHBondContact O-ND2 3.26Å; A164-N167 CarbonylContact O-C 3.51Å; A164-N167 PolarHBondContact O-N 3.48Å; A164-N167 VanDerWaalsContact O-N 3.11Å; D165-N167 PolarHBondContact O-N 2.99Å; D165-N167 VanDerWaalsContact O-N 3.1Å; N167-E169 HydrophobicContact CB-CB 4.32Å; N167-E169 PolarHBondContact O-N 3.1Å
168F96.5Very high90.2Very high73 Ų7354.7 Ų54.732%0.3226%0.256SS..THydrogen-bonded Turntrans51.540.2-171.1-60.3-80.6000112.1A164 D165 P205 L208 Y219A164-F168 PolarHBondContact O-N 3.12Å; D165-F168 PolarHBondContact O-N 2.91Å; D165-F168 VanDerWaalsContact O-N 3.09Å; F168-P205 HydrophobicContact CD1-CB 3.82Å; F168-P205 HydrophobicContact CD2-CB 4.21Å; F168-P205 HydrophobicContact CE1-CB 3.39Å; F168-P205 HydrophobicContact CE1-CG 4.43Å; F168-P205 HydrophobicContact CE2-CB 3.82Å; F168-P205 HydrophobicContact CG-CB 4.19Å; F168-P205 HydrophobicContact CZ-CB 3.38Å; F168-L208 HydrophobicContact CD1-CB 4.05Å; F168-L208 HydrophobicContact CD1-CD2 4.01Å; F168-L208 HydrophobicContact CE1-CB 3.37Å; F168-L208 HydrophobicContact CE1-CD2 4.08Å; F168-L208 HydrophobicContact CE1-CG 4.34Å; F168-L208 HydrophobicContact CZ-CB 3.75Å; F168-Y219 HydrophobicContact CE1-CD2 4.23Å; F168-Y219 AromaticContact CE1-CE2 3.72Å; F168-Y219 HydrophobicContact CE1-CE2 3.72Å; F168-Y219 HydrophobicContact CZ-CE2 4.2Å
169E97.3Very high88.7Confident10 Ų1054.4 Ų54.45%0.04726%0.255CS..  trans-94.2126.3-176.8-168.774.3-120.300110Y88 F121 R135 F136 L137 A164 N167Y88-E169 HydrophobicContact CE1-CG 4.48Å; Y88-E169 VanDerWaalsContact OH-CG 3.29Å; Y88-E169 WeakPolarHBondContact OH-CG 3.23Å; Y88-E169 PolarHBondContact OH-OE2 3.11Å; F121-E169 HydrophobicContact CD1-CB 4.36Å; F121-E169 HydrophobicContact CD1-CG 4.5Å; F121-E169 HydrophobicContact CE1-CB 3.63Å; F121-E169 HydrophobicContact CE1-CG 3.74Å; F121-E169 HydrophobicContact CZ-CG 4.49Å; R135-E169 WeakPolarHBondContact CB-OE1 3.26Å; R135-E169 WeakPolarHBondContact CD-OE2 3.11Å; R135-E169 VanDerWaalsContact CG-OE1 3.24Å; R135-E169 WeakPolarHBondContact CG-OE1 3.09Å; R135-E169 IonicContact CZ-OE2 2.67Å; R135-E169 VanDerWaalsContact CZ-OE2 3.27Å; R135-E169 IonicContact NE-OE2 2.88Å; R135-E169 PolarHBondContact NE-OE2 3.08Å; R135-E169 VanDerWaalsContact NE-OE2 3.1Å; R135-E169 IonicContact NH1-OE2 3.2Å; R135-E169 PolarHBondContact NH1-OE2 3.45Å; F136-E169 WeakPolarHBondContact CA-OE1 3.46Å; F136-E169 PolarHBondContact N-OE1 2.9Å; L137-E169 HydrophobicContact CB-CG 4.05Å; A164-E169 HydrophobicContact CB-CB 4.2Å; A164-E169 PolarHBondContact O-N 2.84Å; N167-E169 HydrophobicContact CB-CB 4.32Å; N167-E169 PolarHBondContact O-N 3.1Å
170S96.6Very high87Confident67 Ų6761.1 Ų61.147%0.46928%0.282SS..  trans-77.2147.2168.6-61.30000110F136 L137F136-S170 VanDerWaalsContact CD2-CB 3.46Å; L137-S170 PolarHBondContact N-O 3.38Å
171W96.8Very high85.4Confident66 Ų6665 Ų6525%0.2531%0.309CS..EExtended strand (participates in β ladder)trans-141.7156.4-173.655.6-96000112.7L137 F140 L161 F193L137-W171 HydrophobicContact CB-CB 4.04Å; L137-W171 HydrophobicContact CD2-CB 4.16Å; L137-W171 HydrophobicContact CG-CB 4.3Å; L137-W171 CarbonylContact O-C 3.43Å; L137-W171 WeakPolarHBondContact O-CA 3.48Å; F140-W171 HydrophobicContact CD1-CB 4.43Å; F140-W171 HydrophobicContact CE1-CB 4.03Å; F140-W171 AromaticContact CE1-CD2 3.92Å; F140-W171 HydrophobicContact CE1-CD2 3.92Å; F140-W171 AromaticContact CE1-CE3 3.5Å; F140-W171 HydrophobicContact CE1-CE3 3.5Å; F140-W171 HydrophobicContact CE1-CG 4.18Å; F140-W171 HydrophobicContact CE1-CZ3 4.24Å; F140-W171 HydrophobicContact CZ-CD2 4.27Å; F140-W171 AromaticContact CZ-CE3 3.83Å; F140-W171 HydrophobicContact CZ-CE3 3.83Å; F140-W171 HydrophobicContact CZ-CZ3 4.16Å; L161-W171 HydrophobicContact CD2-CD2 3.79Å; L161-W171 HydrophobicContact CD2-CE3 4.28Å; L161-W171 HydrophobicContact CD2-CG 4.33Å; L161-W171 HydrophobicContact CD2-CH2 3.97Å; L161-W171 HydrophobicContact CD2-CZ2 3.45Å; L161-W171 VanDerWaalsContact CD2-CZ2 3.45Å; L161-W171 HydrophobicContact CD2-CZ3 4.35Å; W171-F193 HydrophobicContact CH2-CB 4.13Å; W171-F193 AromaticContact CH2-CD1 3.9Å; W171-F193 HydrophobicContact CH2-CD1 3.9Å; W171-F193 HydrophobicContact CH2-CG 4.49Å; W171-F193 HydrophobicContact CZ3-CD1 4.11Å
172T94.1Very high83.7Confident62 Ų6271.2 Ų71.238%0.3834%0.343SS..EExtended strand (participates in β ladder)trans-127135.8163.6380000109F136 L137 T138 F140F136-T172 HydrophobicContact CE1-CG2 3.81Å; F136-T172 HydrophobicContact CZ-CG2 4.04Å; L137-T172 PolarHBondContact O-N 3.09Å; T138-T172 VanDerWaalsContact C-OG1 3.25Å; T138-T172 VanDerWaalsContact CA-OG1 3.29Å; T138-T172 WeakPolarHBondContact CA-OG1 3.29Å; T138-T172 PolarHBondContact O-OG1 2.98Å; F140-T172 WeakPolarHBondContact CD1-O 3.37Å
173Y91.9Very high82.1Confident43 Ų4372.9 Ų72.917%0.16935%0.351CS..EExtended strand (participates in β ladder)trans-85.2131.9178.2176.1-104.6000110F140 C143 D175 L179 F193F140-Y173 HydrophobicContact CD2-CD2 4.13Å; F140-Y173 HydrophobicContact CE1-CD2 4.3Å; F140-Y173 AromaticContact CE2-CD2 3.64Å; F140-Y173 HydrophobicContact CE2-CD2 3.64Å; F140-Y173 HydrophobicContact CE2-CE2 4.36Å; F140-Y173 AromaticContact CZ-CD2 3.72Å; F140-Y173 HydrophobicContact CZ-CD2 3.72Å; F140-Y173 HydrophobicContact CZ-CG 4.3Å; F140-Y173 WeakPolarHBondContact O-CD2 3.26Å; C143-Y173 VanDerWaalsContact O-CE2 3.29Å; C143-Y173 WeakPolarHBondContact O-CE2 3.37Å; C143-Y173 PolarHBondContact O-OH 3.24Å; Y173-D175 VanDerWaalsContact CE1-O 3.27Å; Y173-D175 WeakPolarHBondContact CE1-O 3.31Å; Y173-D175 PolarHBondContact OH-O 3.07Å; Y173-D175 VanDerWaalsContact OH-O 3.05Å; Y173-L179 HydrophobicContact CD1-CD1 3.73Å; Y173-L179 HydrophobicContact CE1-CD1 3.46Å; Y173-L179 VanDerWaalsContact CE1-CD1 3.46Å; Y173-F193 HydrophobicContact CD1-CE1 4.45Å; Y173-F193 HydrophobicContact CD1-CZ 4.2Å; Y173-F193 AromaticContact CD2-CE1 3.59Å; Y173-F193 HydrophobicContact CD2-CE1 3.59Å; Y173-F193 AromaticContact CD2-CZ 3.71Å; Y173-F193 HydrophobicContact CD2-CZ 3.71Å; Y173-F193 HydrophobicContact CE1-CZ 4.23Å; Y173-F193 HydrophobicContact CE2-CE1 4.05Å; Y173-F193 AromaticContact CE2-CZ 3.71Å; Y173-F193 HydrophobicContact CE2-CZ 3.71Å; Y173-F193 AromaticContact CG-CE1 3.82Å; Y173-F193 HydrophobicContact CG-CE1 3.82Å; Y173-F193 AromaticContact CG-CZ 3.96Å; Y173-F193 HydrophobicContact CG-CZ 3.96Å
174W86.9Confident80.9Confident115 Ų11576.6 Ų76.644%0.43637%0.371SS..SBendtrans-96.8155.3171.8176.1-104.3000109.9E139 F140E139-W174 HydrophobicContact CB-CB 4.02Å; E139-W174 HydrophobicContact CG-CB 4.13Å; F140-W174 PolarHBondContact O-N 3.12Å
175D70.8Confident79.5Confident84 Ų8480.3 Ų80.345%0.44939%0.394SS..SBendtrans71.251.9177.4-158.622000114.4Y173Y173-D175 VanDerWaalsContact CE1-O 3.27Å; Y173-D175 WeakPolarHBondContact CE1-O 3.31Å; Y173-D175 PolarHBondContact OH-O 3.07Å; Y173-D175 VanDerWaalsContact OH-O 3.05Å
176G65.9Low78.1Confident12 Ų1287.7 Ų87.712%0.12443%0.428CS..  trans-126.420.7-17500000115.6E178 L179 F180G176-E178 PolarHBondContact O-N 3.21Å; G176-L179 WeakPolarHBondContact O-CB 3.1Å; G176-L179 PolarHBondContact O-N 3.43Å; G176-F180 WeakPolarHBondContact O-CD2 3.41Å
177Y63Low77.1Confident193 Ų19383.7 Ų83.776%0.75742%0.416SS*.THydrogen-bonded Turntrans-52.8-33.8-177.5-74.9-77000112.9
178E60.7Low76.1Confident166 Ų16686.5 Ų86.578%0.77643%0.43SS*.THydrogen-bonded Turntrans-87.2-21.6-178.9-59-175.3171.200113.9G176 F180 S181G176-E178 PolarHBondContact O-N 3.21Å; E178-F180 PolarHBondContact O-N 3.31Å; E178-S181 PolarHBondContact O-OG 3.02Å
179L64.4Low75.4Confident15 Ų1583.4 Ų83.48%0.07942%0.418CS..THydrogen-bonded Turntrans-60.2-45.1-179.4-85.6168000111.3L144 Y173 G176 L183 F193L144-L179 HydrophobicContact CD1-CD1 3.99Å; L144-L179 HydrophobicContact CD1-CD2 3.67Å; L144-L179 HydrophobicContact CD1-CG 3.96Å; Y173-L179 HydrophobicContact CD1-CD1 3.73Å; Y173-L179 HydrophobicContact CE1-CD1 3.46Å; Y173-L179 VanDerWaalsContact CE1-CD1 3.46Å; G176-L179 WeakPolarHBondContact O-CB 3.1Å; G176-L179 PolarHBondContact O-N 3.43Å; L179-L183 WeakPolarHBondContact O-CD2 3.08Å; L179-L183 WeakPolarHBondContact O-CG 3.42Å; L179-F193 HydrophobicContact CD1-CE2 4.01Å; L179-F193 HydrophobicContact CD2-CE2 4.47Å
180F61.4Low74.8Confident152 Ų15284.3 Ų84.367%0.66742%0.422SS*.THydrogen-bonded Turntrans-81-27.6-167.9-67.7-76.5000114.5G176 E178 N182 L183G176-F180 WeakPolarHBondContact O-CD2 3.41Å; E178-F180 PolarHBondContact O-N 3.31Å; F180-N182 VanDerWaalsContact C-N 3.26Å; F180-N182 PolarHBondContact O-N 3.36Å; F180-L183 HydrophobicContact CD1-CD1 3.87Å
181S63.6Low74.4Confident84 Ų8484.5 Ų84.559%0.58742%0.415SS*.THydrogen-bonded Turntrans-66.7-26.3-176.533.70000113.7E178E178-S181 PolarHBondContact O-OG 3.02Å
182N60.7Low74Confident130 Ų13081.7 Ų81.770%0.69541%0.405SS*.THydrogen-bonded Turntrans-135.142.7-174.2-64.8-41.2000112.3F180 N184F180-N182 VanDerWaalsContact C-N 3.26Å; F180-N182 PolarHBondContact O-N 3.36Å; N182-N184 PolarHBondContact O-N 2.94Å
183L65.1Low73.9Confident90 Ų9080 Ų8047%0.47139%0.393SS..  trans-61.697.5177.2-67.1174.9000110.9L179 F180 L190L179-L183 WeakPolarHBondContact O-CD2 3.08Å; L179-L183 WeakPolarHBondContact O-CG 3.42Å; F180-L183 HydrophobicContact CD1-CD1 3.87Å; L183-L190 HydrophobicContact CB-CD1 4.21Å; L183-L190 HydrophobicContact CD2-CD1 3.61Å; L183-L190 HydrophobicContact CD2-CD2 3.28Å; L183-L190 HydrophobicContact CD2-CG 3.86Å
184N71.9Confident73.9Confident77 Ų7779.2 Ų79.241%0.41239%0.393SS..  trans-105.6139.8166.5-179.10.5000107.8N182 E186 N187 L190N182-N184 PolarHBondContact O-N 2.94Å; N184-E186 PolarHBondContact ND2-OE2 2.71Å; N184-E186 PolarHBondContact O-N 3.41Å; N184-E186 VanDerWaalsContact O-N 3.08Å; N184-E186 PolarHBondContact OD1-N 3.14Å; N184-E186 VanDerWaalsContact OD1-N 3.16Å; N184-N187 WeakPolarHBondContact O-CB 3.38Å; N184-N187 PolarHBondContact O-N 3.34Å; N184-L190 VanDerWaalsContact O-CD1 3.24Å; N184-L190 WeakPolarHBondContact O-CD1 3.07Å
185V69.5Low74.4Confident79 Ų7974 Ų7448%0.47937%0.374SS..THydrogen-bonded Turntrans-54.2-26.7173.8177.40000111.9N187 S245 I246V185-N187 VanDerWaalsContact C-N 3.25Å; V185-N187 PolarHBondContact O-N 3.23Å; V185-S245 VanDerWaalsContact CG1-O 3.27Å; V185-S245 WeakPolarHBondContact CG1-O 3.47Å; V185-I246 HydrophobicContact CG1-CG1 4.21Å
186E68.4Low75.7Confident164 Ų16470 Ų7077%0.76635%0.352SS*.THydrogen-bonded Turntrans-76-7.3174.7-58.1175154.200114N184 I188N184-E186 PolarHBondContact ND2-OE2 2.71Å; N184-E186 PolarHBondContact O-N 3.41Å; N184-E186 VanDerWaalsContact O-N 3.08Å; N184-E186 PolarHBondContact OD1-N 3.14Å; N184-E186 VanDerWaalsContact OD1-N 3.16Å; E186-I188 PolarHBondContact O-N 3.28Å; E186-I188 VanDerWaalsContact O-N 3.14Å
187N75.4Confident77.2Confident45 Ų4574 Ų7424%0.24136%0.364CS..  trans-68.7113.2178.2-173.5-21.5000109.7N184 V185 S189 L190N184-N187 WeakPolarHBondContact O-CB 3.38Å; N184-N187 PolarHBondContact O-N 3.34Å; V185-N187 VanDerWaalsContact C-N 3.25Å; V185-N187 PolarHBondContact O-N 3.23Å; N187-S189 PolarHBondContact O-N 3.42Å; N187-S189 VanDerWaalsContact O-N 3.16Å; N187-S189 WeakPolarHBondContact OD1-CB 3.38Å; N187-S189 PolarHBondContact OD1-N 3.35Å; N187-S189 PolarHBondContact OD1-OG 3.41Å; N187-L190 HydrophobicContact CB-CD1 3.99Å; N187-L190 HydrophobicContact CB-CG 4.1Å; N187-L190 WeakPolarHBondContact O-CB 3.3Å; N187-L190 PolarHBondContact O-N 2.94Å
188I77.3Confident78.9Confident89 Ų8965.9 Ų65.946%0.45634%0.335SS..Hα-helixtrans-58.3-31.7-176.4-162.1137.9000112.8E186 L190 K191E186-I188 PolarHBondContact O-N 3.28Å; E186-I188 VanDerWaalsContact O-N 3.14Å; I188-L190 VanDerWaalsContact C-N 3.29Å; I188-L190 PolarHBondContact O-N 3.08Å; I188-K191 WeakPolarHBondContact O-CB 3.26Å; I188-K191 PolarHBondContact O-N 2.85Å
189S81.2Confident80.6Confident9 Ų962.4 Ų62.46%0.06332%0.319CS..Hα-helixtrans-65.7-34177-47.20000111.7P145 N187 K191 S192 F193P145-S189 PolarHBondContact O-OG 3.45Å; N187-S189 PolarHBondContact O-N 3.42Å; N187-S189 VanDerWaalsContact O-N 3.16Å; N187-S189 WeakPolarHBondContact OD1-CB 3.38Å; N187-S189 PolarHBondContact OD1-N 3.35Å; N187-S189 PolarHBondContact OD1-OG 3.41Å; S189-K191 VanDerWaalsContact C-N 3.26Å; S189-K191 PolarHBondContact O-N 3.38Å; S189-S192 PolarHBondContact O-N 2.88Å; S189-F193 WeakPolarHBondContact O-CD2 3.33Å; S189-F193 PolarHBondContact O-N 2.66Å
190L85.1Confident82.1Confident28 Ų2863.8 Ų63.815%0.14733%0.33CS..Hα-helixtrans-67-29179-71.2175.5000113.1L183 N184 N187 I188 S192 F193 S194L183-L190 HydrophobicContact CB-CD1 4.21Å; L183-L190 HydrophobicContact CD2-CD1 3.61Å; L183-L190 HydrophobicContact CD2-CD2 3.28Å; L183-L190 HydrophobicContact CD2-CG 3.86Å; N184-L190 VanDerWaalsContact O-CD1 3.24Å; N184-L190 WeakPolarHBondContact O-CD1 3.07Å; N187-L190 HydrophobicContact CB-CD1 3.99Å; N187-L190 HydrophobicContact CB-CG 4.1Å; N187-L190 WeakPolarHBondContact O-CB 3.3Å; N187-L190 PolarHBondContact O-N 2.94Å; I188-L190 VanDerWaalsContact C-N 3.29Å; I188-L190 PolarHBondContact O-N 3.08Å; L190-S192 VanDerWaalsContact C-N 3.28Å; L190-S192 PolarHBondContact O-N 3.44Å; L190-F193 PolarHBondContact O-N 2.85Å; L190-S194 WeakPolarHBondContact O-CB 3.27Å; L190-S194 PolarHBondContact O-N 3.13Å; L190-S194 PolarHBondContact O-OG 3.48Å
191K88.1Confident83.8Confident72 Ų7258.2 Ų58.231%0.31331%0.308SS..Hα-helixtrans-59.5-41.8175.6-164.8-176.4-176.6-155.40110.7I188 S189 V212 D213 I246 H247I188-K191 WeakPolarHBondContact O-CB 3.26Å; I188-K191 PolarHBondContact O-N 2.85Å; S189-K191 VanDerWaalsContact C-N 3.26Å; S189-K191 PolarHBondContact O-N 3.38Å; K191-V212 WeakPolarHBondContact CE-O 3.25Å; K191-V212 HydrophobicContact CG-CG2 4.08Å; K191-V212 PolarHBondContact NZ-O 2.67Å; K191-V212 VanDerWaalsContact O-CG2 3.28Å; K191-V212 WeakPolarHBondContact O-CG2 3.45Å; K191-D213 PolarHBondContact NZ-O 2.74Å; K191-I246 HydrophobicContact CB-CG2 4.4Å; K191-I246 HydrophobicContact CG-CG2 4.35Å; K191-H247 WeakPolarHBondContact CG-CE1 3.44Å; K191-H247 PolarHBondContact O-CE1 2.84Å; K191-H247 PolarHBondContact O-NE2 2.68Å
192S89.2Confident85.3Confident7 Ų755.5 Ų55.55%0.04929%0.291CS..Hα-helixtrans-68.5-41.6178.5-75.70000113.8P145 N158 L161 S189 L190 R195P145-S192 WeakPolarHBondContact CG-OG 3.47Å; N158-S192 PolarHBondContact OD1-OG 2.89Å; L161-S192 WeakPolarHBondContact CD1-O 3.47Å; S189-S192 PolarHBondContact O-N 2.88Å; L190-S192 VanDerWaalsContact C-N 3.28Å; L190-S192 PolarHBondContact O-N 3.44Å; S192-R195 WeakPolarHBondContact O-CG 3.42Å
193F91.1Very high86.9Confident26 Ų2649.9 Ų49.911%0.11426%0.264CS..Hα-helixtrans-80.8-26.4-177.6-63.1-63.7000113.7F140 L144 L161 W171 Y173 L179 S189 L190 R195F140-F193 HydrophobicContact CE2-CE1 4.2Å; F140-F193 HydrophobicContact CZ-CE1 4.06Å; L144-F193 HydrophobicContact CD1-CE2 4Å; L161-F193 HydrophobicContact CD1-CD1 3.92Å; L161-F193 HydrophobicContact CD1-CE1 4.21Å; W171-F193 HydrophobicContact CH2-CB 4.13Å; W171-F193 AromaticContact CH2-CD1 3.9Å; W171-F193 HydrophobicContact CH2-CD1 3.9Å; W171-F193 HydrophobicContact CH2-CG 4.49Å; W171-F193 HydrophobicContact CZ3-CD1 4.11Å; Y173-F193 HydrophobicContact CD1-CE1 4.45Å; Y173-F193 HydrophobicContact CD1-CZ 4.2Å; Y173-F193 AromaticContact CD2-CE1 3.59Å; Y173-F193 HydrophobicContact CD2-CE1 3.59Å; Y173-F193 AromaticContact CD2-CZ 3.71Å; Y173-F193 HydrophobicContact CD2-CZ 3.71Å; Y173-F193 HydrophobicContact CE1-CZ 4.23Å; Y173-F193 HydrophobicContact CE2-CE1 4.05Å; Y173-F193 AromaticContact CE2-CZ 3.71Å; Y173-F193 HydrophobicContact CE2-CZ 3.71Å; Y173-F193 AromaticContact CG-CE1 3.82Å; Y173-F193 HydrophobicContact CG-CE1 3.82Å; Y173-F193 AromaticContact CG-CZ 3.96Å; Y173-F193 HydrophobicContact CG-CZ 3.96Å; L179-F193 HydrophobicContact CD1-CE2 4.01Å; L179-F193 HydrophobicContact CD2-CE2 4.47Å; S189-F193 WeakPolarHBondContact O-CD2 3.33Å; S189-F193 PolarHBondContact O-N 2.66Å; L190-F193 PolarHBondContact O-N 2.85Å; F193-R195 PolarHBondContact O-N 2.83Å; F193-R195 VanDerWaalsContact O-N 3.14Å
194S92.5Very high88.4Confident26 Ų2651.6 Ų51.618%0.18227%0.27CS..  trans-87.479.6-178.4-55.70000111.1L190 P243 I246 H247L190-S194 WeakPolarHBondContact O-CB 3.27Å; L190-S194 PolarHBondContact O-N 3.13Å; L190-S194 PolarHBondContact O-OG 3.48Å; S194-P243 WeakPolarHBondContact O-CG 3.46Å; S194-I246 VanDerWaalsContact CB-CD1 3.41Å; S194-I246 WeakPolarHBondContact OG-CD1 3.26Å; S194-H247 PolarHBondContact O-CD2 3.4Å; S194-H247 PolarHBondContact O-NE2 3.37Å
195R96.1Very high89.6Confident6 Ų650.6 Ų50.62%0.02327%0.268CS..  trans-94.4150-175.1-52.7178.375.681.9-1.9111.3N162 D165 S192 F193 Y197 F210N162-R195 PolarHBondContact OD1-NH2 2.84Å; D165-R195 IonicContact OD1-NE 3.81Å; D165-R195 PolarHBondContact OD1-NE 2.8Å; D165-R195 IonicContact OD2-CZ 3.87Å; D165-R195 IonicContact OD2-NE 3.84Å; D165-R195 PolarHBondContact OD2-NE 2.87Å; D165-R195 IonicContact OD2-NH2 2.77Å; D165-R195 PolarHBondContact OD2-NH2 3.44Å; S192-R195 WeakPolarHBondContact O-CG 3.42Å; F193-R195 PolarHBondContact O-N 2.83Å; F193-R195 VanDerWaalsContact O-N 3.14Å; R195-Y197 WeakPolarHBondContact O-CD1 3.12Å; R195-F210 HydrophobicContact CB-CD1 3.66Å; R195-F210 HydrophobicContact CB-CE1 3.99Å; R195-F210 HydrophobicContact CB-CG 4.25Å; R195-F210 HydrophobicContact CG-CD1 3.81Å; R195-F210 HydrophobicContact CG-CE1 4.09Å; R195-F210 PolarHBondContact NH2-O 3.14Å; R195-F210 VanDerWaalsContact NH2-O 3.08Å
196T98.1Very high91Very high0 Ų050.7 Ų50.70%027%0.268CS..  trans-76.4128.3166-580000109.2F210 F217 I240 F241 V242 Y248 I293T196-F210 WeakPolarHBondContact OG1-CE2 3.15Å; T196-F217 HydrophobicContact CG2-CB 3.74Å; T196-F217 HydrophobicContact CG2-CD1 3.85Å; T196-F217 HydrophobicContact CG2-CD2 3.43Å; T196-F217 VanDerWaalsContact CG2-CD2 3.43Å; T196-F217 HydrophobicContact CG2-CE1 4.24Å; T196-F217 HydrophobicContact CG2-CE2 3.84Å; T196-F217 HydrophobicContact CG2-CG 3.39Å; T196-F217 HydrophobicContact CG2-CZ 4.2Å; T196-F217 WeakPolarHBondContact O-CD2 3.24Å; T196-F217 VanDerWaalsContact O-CE2 3.24Å; T196-F217 WeakPolarHBondContact O-CE2 3.4Å; T196-I240 HydrophobicContact CG2-CG2 3.77Å; T196-F241 VanDerWaalsContact CA-O 3.27Å; T196-F241 WeakPolarHBondContact CA-O 3.1Å; T196-F241 VanDerWaalsContact CG2-O 3.28Å; T196-F241 WeakPolarHBondContact CG2-O 3.09Å; T196-V242 HydrophobicContact CG2-CG2 4.06Å; T196-Y248 WeakPolarHBondContact OG1-CE2 3.28Å; T196-Y248 PolarHBondContact OG1-OH 2.69Å; T196-I293 HydrophobicContact CG2-CD1 4.33Å
197Y98.2Very high92.4Very high96 Ų9647.4 Ų47.438%0.37625%0.253SS..EExtended strand (participates in β ladder)trans-152.2151.8-178.672.5-84.1000112.6R195 Q199 F241R195-Y197 WeakPolarHBondContact O-CD1 3.12Å; Y197-Q199 HydrophobicContact CD2-CG 4.45Å; Y197-Q199 HydrophobicContact CE2-CG 3.73Å; Y197-Q199 PolarHBondContact OH-NE2 3.41Å; Y197-F241 HydrophobicContact CD1-CB 4Å; Y197-F241 AromaticContact CD1-CD1 3.84Å; Y197-F241 HydrophobicContact CD1-CD1 3.84Å; Y197-F241 HydrophobicContact CD1-CG 4.34Å; Y197-F241 HydrophobicContact CE1-CB 3.64Å; Y197-F241 AromaticContact CE1-CD1 3.42Å; Y197-F241 HydrophobicContact CE1-CD1 3.42Å; Y197-F241 VanDerWaalsContact CE1-CD1 3.42Å; Y197-F241 HydrophobicContact CE1-CE1 4.31Å; Y197-F241 AromaticContact CE1-CG 3.75Å; Y197-F241 HydrophobicContact CE1-CG 3.75Å; Y197-F241 PolarHBondContact N-O 2.78Å; Y197-F241 VanDerWaalsContact N-O 3.1Å; Y197-F241 PolarHBondContact O-N 3.39Å
198P98.1Very high93.5Very high22 Ų2245.8 Ų45.814%0.14324%0.244CC..EExtended strand (participates in β ladder)trans-73.4125.2172.530.6-33.5000111Y219 E239P198-Y219 HydrophobicContact CB-CD1 4.04Å; P198-Y219 HydrophobicContact CB-CE1 3.65Å; P198-Y219 HydrophobicContact CG-CD1 4.15Å; P198-Y219 HydrophobicContact CG-CD2 4.05Å; P198-Y219 HydrophobicContact CG-CE1 3.88Å; P198-Y219 HydrophobicContact CG-CE2 3.85Å; P198-Y219 HydrophobicContact CG-CG 4.22Å; P198-E239 CarbonylContact C-O 3.6Å; P198-E239 WeakPolarHBondContact CA-O 3.27Å
199Q96.7Very high94.5Very high93 Ų9347.2 Ų47.244%0.43524%0.243SC..EExtended strand (participates in β ladder)trans-82-34.4171.7-67.9-168.4-33.300112Y197 E239 F241 L272Y197-Q199 HydrophobicContact CD2-CG 4.45Å; Y197-Q199 HydrophobicContact CE2-CG 3.73Å; Y197-Q199 PolarHBondContact OH-NE2 3.41Å; Q199-E239 PolarHBondContact N-O 3.28Å; Q199-F241 HydrophobicContact CG-CB 4.05Å; Q199-L272 VanDerWaalsContact OE1-CD2 3.27Å
200S96.7Very high95.3Very high44 Ų4446.9 Ų46.931%0.30824%0.241SC..EExtended strand (participates in β ladder)trans-146.6155.9175.787.50000110.7A238 E239S200-A238 WeakPolarHBondContact O-CA 3.42Å; S200-E239 PolarHBondContact N-O 2.81Å; S200-E239 PolarHBondContact O-N 2.8Å; S200-E239 VanDerWaalsContact O-N 3.1Å; S200-E239 WeakPolarHBondContact OG-CB 3.35Å; S200-E239 WeakPolarHBondContact OG-CG 3.4Å; S200-E239 PolarHBondContact OG-OE1 2.87Å
201T97Very high95.9Very high35 Ų3548 Ų4822%0.21525%0.247CC..EExtended strand (participates in β ladder)trans-150.1133.2178.6-60.70000110.6G203 Y219 F221 V237T201-G203 PolarHBondContact O-N 2.78Å; T201-Y219 VanDerWaalsContact CB-OH 3.3Å; T201-Y219 WeakPolarHBondContact CB-OH 3.18Å; T201-Y219 HydrophobicContact CG2-CE1 4.16Å; T201-Y219 VanDerWaalsContact CG2-OH 3.26Å; T201-Y219 WeakPolarHBondContact CG2-OH 3.44Å; T201-Y219 WeakPolarHBondContact OG1-CE1 3.09Å; T201-Y219 PolarHBondContact OG1-OH 3.42Å; T201-F221 HydrophobicContact CG2-CB 3.88Å; T201-F221 HydrophobicContact CG2-CD1 3.73Å; T201-F221 HydrophobicContact CG2-CD2 3.37Å; T201-F221 HydrophobicContact CG2-CE1 4.03Å; T201-F221 HydrophobicContact CG2-CE2 3.68Å; T201-F221 HydrophobicContact CG2-CG 3.38Å; T201-F221 HydrophobicContact CG2-CZ 4Å; T201-V237 WeakPolarHBondContact CA-O 3.35Å
202A94.6Very high96.1Very high28 Ų2845 Ų4523%0.23124%0.235CC..SBendtrans-82.153.3174.400000111.5T224 V237A202-T224 PolarHBondContact O-N 3.16Å; A202-T224 VanDerWaalsContact O-N 3.14Å; A202-T224 PolarHBondContact O-OG1 3.08Å; A202-V237 PolarHBondContact N-O 3.16Å
203G95.2Very high96.3Very high12 Ų1250.6 Ų50.612%0.12426%0.264CS..EExtended strand (participates in β ladder)trans-179.6-175.1-169.200000113.9T201 V222T201-G203 PolarHBondContact O-N 2.78Å; G203-V222 CarbonylContact C-O 3.52Å; G203-V222 WeakPolarHBondContact CA-O 3.4Å
204Q95.9Very high96.5Very high125 Ų12552 Ų5258%0.58428%0.278SS*.EExtended strand (participates in β ladder)trans-99.9113174.1-63.1-61.9-26.400109.2V206 F221 V222 T224Q204-V206 PolarHBondContact O-N 3.37Å; Q204-F221 CarbonylContact O-C 3.52Å; Q204-F221 VanDerWaalsContact O-CA 3.27Å; Q204-F221 WeakPolarHBondContact O-CA 3.11Å; Q204-F221 WeakPolarHBondContact O-CB 3.43Å; Q204-V222 PolarHBondContact N-O 2.99Å; Q204-V222 PolarHBondContact O-N 2.84Å; Q204-T224 HydrophobicContact CG-CG2 4.16Å
205P97.5Very high96.6Very high57 Ų5750.9 Ų50.937%0.3727%0.27SS..EExtended strand (participates in β ladder)trans-56.3135.9175.6-2332.6000111.8F168 Y219F168-P205 HydrophobicContact CD1-CB 3.82Å; F168-P205 HydrophobicContact CD2-CB 4.21Å; F168-P205 HydrophobicContact CE1-CB 3.39Å; F168-P205 HydrophobicContact CE1-CG 4.43Å; F168-P205 HydrophobicContact CE2-CB 3.82Å; F168-P205 HydrophobicContact CG-CB 4.19Å; F168-P205 HydrophobicContact CZ-CB 3.38Å; P205-Y219 HydrophobicContact CB-CE2 4.09Å
206V97.9Very high96.7Very high80 Ų8052.2 Ų52.249%0.48528%0.278SS..EExtended strand (participates in β ladder)trans-113.9-47.7-179.3175.20000110.7Q204 A220 V222 L288Q204-V206 PolarHBondContact O-N 3.37Å; V206-A220 PolarHBondContact N-O 3.47Å; V206-V222 HydrophobicContact CG2-CG2 3.67Å; V206-L288 HydrophobicContact CB-CD1 4.32Å; V206-L288 HydrophobicContact CG2-CD1 4.04Å
207Q98.4Very high96.8Very high96 Ų9652.2 Ų52.245%0.44928%0.278SS..EExtended strand (participates in β ladder)trans-148.2139.3-176.6-174.6173.71.300111.3Y218 Y219 A220Q207-Y218 HydrophobicContact CB-CE1 4.1Å; Q207-Y218 HydrophobicContact CG-CD1 4.19Å; Q207-Y218 HydrophobicContact CG-CE1 3.86Å; Q207-Y219 CarbonylContact O-C 3.59Å; Q207-Y219 WeakPolarHBondContact O-CA 3.47Å; Q207-Y219 VanDerWaalsContact O-CD2 3.25Å; Q207-Y219 WeakPolarHBondContact O-CD2 3.33Å; Q207-A220 HydrophobicContact CB-CB 4.39Å; Q207-A220 PolarHBondContact N-O 2.83Å; Q207-A220 VanDerWaalsContact N-O 3.13Å; Q207-A220 PolarHBondContact O-N 2.76Å
208L98.6Very high96.8Very high11 Ų1149.4 Ų49.46%0.05827%0.268CS..EExtended strand (participates in β ladder)trans-137.2133.7174.5169.563.5000108.9D165 F168 F217 Y219D165-L208 HydrophobicContact CB-CD2 4.2Å; D165-L208 HydrophobicContact CB-CG 4.07Å; F168-L208 HydrophobicContact CD1-CB 4.05Å; F168-L208 HydrophobicContact CD1-CD2 4.01Å; F168-L208 HydrophobicContact CE1-CB 3.37Å; F168-L208 HydrophobicContact CE1-CD2 4.08Å; F168-L208 HydrophobicContact CE1-CG 4.34Å; F168-L208 HydrophobicContact CZ-CB 3.75Å; L208-F217 HydrophobicContact CD1-CD2 4.15Å; L208-F217 HydrophobicContact CD1-CE2 3.38Å; L208-F217 HydrophobicContact CD1-CZ 4.1Å; L208-Y219 HydrophobicContact CB-CD2 4.31Å; L208-Y219 HydrophobicContact CD1-CD2 4.41Å
209R98.3Very high96.8Very high118 Ų11848.4 Ų48.445%0.44526%0.261SS..EExtended strand (participates in β ladder)trans-147.7130.9174.1-175.617668.796.30.7109.6Y218R209-Y218 PolarHBondContact N-O 3.1Å; R209-Y218 PolarHBondContact O-N 3.44Å
210F98.3Very high96.9Very high2 Ų244 Ų441%0.00924%0.241CC..EExtended strand (participates in β ladder)trans-122.5128.9167179.8-111.3000109.4R195 T196 V212 F217 H247R195-F210 HydrophobicContact CB-CD1 3.66Å; R195-F210 HydrophobicContact CB-CE1 3.99Å; R195-F210 HydrophobicContact CB-CG 4.25Å; R195-F210 HydrophobicContact CG-CD1 3.81Å; R195-F210 HydrophobicContact CG-CE1 4.09Å; R195-F210 PolarHBondContact NH2-O 3.14Å; R195-F210 VanDerWaalsContact NH2-O 3.08Å; T196-F210 WeakPolarHBondContact OG1-CE2 3.15Å; F210-V212 HydrophobicContact CE1-CB 4.32Å; F210-V212 HydrophobicContact CE1-CG2 4.49Å; F210-F217 HydrophobicContact CD2-CB 4.06Å; F210-F217 HydrophobicContact CD2-CD2 4.49Å; F210-H247 AromaticContact CE1-CE1 3.85Å; F210-H247 AromaticContact CE1-NE2 3.9Å; F210-H247 AromaticContact CZ-CD2 3.78Å; F210-H247 AromaticContact CZ-CE1 3.56Å; F210-H247 AromaticContact CZ-CG 3.74Å; F210-H247 AromaticContact CZ-ND1 3.63Å; F210-H247 AromaticContact CZ-NE2 3.68Å
211D96.8Very high97Very high53 Ų5342 Ų4228%0.28323%0.226SC..  trans-100.2110.1175.1-176.3-60000108.5D213 S214 G215 V216D211-D213 VanDerWaalsContact C-N 3.29Å; D211-D213 PolarHBondContact O-N 3Å; D211-D213 PolarHBondContact OD1-N 3.07Å; D211-S214 WeakPolarHBondContact CB-OG 3.33Å; D211-S214 WeakPolarHBondContact OD1-CB 3.27Å; D211-S214 PolarHBondContact OD1-N 3.1Å; D211-S214 PolarHBondContact OD1-OG 3.48Å; D211-G215 CarbonylContact O-C 3.47Å; D211-G215 WeakPolarHBondContact O-CA 3.28Å; D211-G215 PolarHBondContact O-N 2.97Å; D211-V216 PolarHBondContact N-O 3.24Å; D211-V216 PolarHBondContact O-N 3.44Å
212V93.8Very high96.9Very high8 Ų843.1 Ų43.15%0.04823%0.233CC..THydrogen-bonded Turntrans-68.4-30.4-173.267.40000112.6K191 F210 H247K191-V212 WeakPolarHBondContact CE-O 3.25Å; K191-V212 HydrophobicContact CG-CG2 4.08Å; K191-V212 PolarHBondContact NZ-O 2.67Å; K191-V212 VanDerWaalsContact O-CG2 3.28Å; K191-V212 WeakPolarHBondContact O-CG2 3.45Å; F210-V212 HydrophobicContact CE1-CB 4.32Å; F210-V212 HydrophobicContact CE1-CG2 4.49Å; V212-H247 PolarHBondContact O-CE1 3.33Å
213D92.3Very high96.9Very high124 Ų12442.4 Ų42.466%0.66323%0.226SC*.THydrogen-bonded Turntrans-74.2-49.3-175.6-66-37.7000110.4K191 D211K191-D213 PolarHBondContact NZ-O 2.74Å; D211-D213 VanDerWaalsContact C-N 3.29Å; D211-D213 PolarHBondContact O-N 3Å; D211-D213 PolarHBondContact OD1-N 3.07Å
214S95.2Very high96.6Very high57 Ų5745.8 Ų45.840%0.39924%0.244SC..THydrogen-bonded Turntrans-88.2-14.9-179.265.50000114.4D211 V216 P295D211-S214 WeakPolarHBondContact CB-OG 3.33Å; D211-S214 WeakPolarHBondContact OD1-CB 3.27Å; D211-S214 PolarHBondContact OD1-N 3.1Å; D211-S214 PolarHBondContact OD1-OG 3.48Å; S214-V216 PolarHBondContact O-N 2.85Å; S214-V216 WeakPolarHBondContact OG-CG2 3.28Å; S214-V216 PolarHBondContact OG-N 2.99Å; S214-P295 WeakPolarHBondContact O-CD 3.48Å; S214-P295 VanDerWaalsContact O-CG 3.28Å; S214-P295 WeakPolarHBondContact O-CG 3.25Å
215G96Very high95.8Very high2 Ų244.2 Ų44.22%0.02124%0.237CC..  trans68.49.3-171.700000114.1D211 F217 Y248D211-G215 CarbonylContact O-C 3.47Å; D211-G215 WeakPolarHBondContact O-CA 3.28Å; D211-G215 PolarHBondContact O-N 2.97Å; G215-F217 PolarHBondContact O-N 3.14Å; G215-Y248 VanDerWaalsContact O-CE1 3.28Å; G215-Y248 WeakPolarHBondContact O-CE1 3.28Å; G215-Y248 VanDerWaalsContact O-CZ 3.26Å; G215-Y248 PolarHBondContact O-OH 2.94Å
216V98.3Very high94.6Very high33 Ų3348.2 Ų48.220%0.225%0.249CC..  trans-75.5121.8-179177.50000109.9D211 S214 T292 I294D211-V216 PolarHBondContact N-O 3.24Å; D211-V216 PolarHBondContact O-N 3.44Å; S214-V216 PolarHBondContact O-N 2.85Å; S214-V216 WeakPolarHBondContact OG-CG2 3.28Å; S214-V216 PolarHBondContact OG-N 2.99Å; V216-T292 HydrophobicContact CG1-CG2 4.22Å; V216-I294 HydrophobicContact CG2-CG2 4.31Å
217F98.7Very high93.5Very high0 Ų050.8 Ų50.80%026%0.259CS..EExtended strand (participates in β ladder)trans-105.5137.3175169.3-99.2000110.4T196 L208 F210 G215 Y219 I240 I291 T292 I293T196-F217 HydrophobicContact CG2-CB 3.74Å; T196-F217 HydrophobicContact CG2-CD1 3.85Å; T196-F217 HydrophobicContact CG2-CD2 3.43Å; T196-F217 VanDerWaalsContact CG2-CD2 3.43Å; T196-F217 HydrophobicContact CG2-CE1 4.24Å; T196-F217 HydrophobicContact CG2-CE2 3.84Å; T196-F217 HydrophobicContact CG2-CG 3.39Å; T196-F217 HydrophobicContact CG2-CZ 4.2Å; T196-F217 WeakPolarHBondContact O-CD2 3.24Å; T196-F217 VanDerWaalsContact O-CE2 3.24Å; T196-F217 WeakPolarHBondContact O-CE2 3.4Å; L208-F217 HydrophobicContact CD1-CD2 4.15Å; L208-F217 HydrophobicContact CD1-CE2 3.38Å; L208-F217 HydrophobicContact CD1-CZ 4.1Å; F210-F217 HydrophobicContact CD2-CB 4.06Å; F210-F217 HydrophobicContact CD2-CD2 4.49Å; G215-F217 PolarHBondContact O-N 3.14Å; F217-Y219 HydrophobicContact CZ-CG 4.11Å; F217-I240 HydrophobicContact CE1-CD1 4.08Å; F217-I240 HydrophobicContact CE1-CG2 4.11Å; F217-I240 HydrophobicContact CZ-CG2 4.04Å; F217-I291 HydrophobicContact CE1-CG2 4.26Å; F217-T292 CarbonylContact O-C 3.59Å; F217-T292 VanDerWaalsContact O-CA 3.25Å; F217-T292 WeakPolarHBondContact O-CA 3.24Å; F217-T292 WeakPolarHBondContact O-CG2 3.21Å; F217-I293 HydrophobicContact CB-CB 4.17Å; F217-I293 HydrophobicContact CD1-CB 4.09Å; F217-I293 HydrophobicContact CD1-CD1 3.83Å; F217-I293 HydrophobicContact CD1-CG1 3.88Å; F217-I293 HydrophobicContact CE1-CD1 4.16Å; F217-I293 PolarHBondContact N-O 3.35Å; F217-I293 PolarHBondContact O-N 3.15Å
218Y98.7Very high92.7Very high38 Ų3847.7 Ų47.715%0.14925%0.248CC..EExtended strand (participates in β ladder)trans-132.4131.6171.6175-90.3000110.1Q207 R209 A220 E290 I291Q207-Y218 HydrophobicContact CB-CE1 4.1Å; Q207-Y218 HydrophobicContact CG-CD1 4.19Å; Q207-Y218 HydrophobicContact CG-CE1 3.86Å; R209-Y218 PolarHBondContact N-O 3.1Å; R209-Y218 PolarHBondContact O-N 3.44Å; Y218-A220 HydrophobicContact CE1-CB 3.98Å; Y218-E290 HydrophobicContact CE2-CB 4.19Å; Y218-E290 WeakPolarHBondContact CE2-OE1 3.46Å; Y218-E290 PolarHBondContact OH-OE1 3.21Å; Y218-I291 WeakPolarHBondContact CA-O 3.46Å
219Y98.8Very high91.7Very high1 Ų154.4 Ų54.40%0.00429%0.29CS..EExtended strand (participates in β ladder)trans-140.8134.9176.6177.8-131.2000111.3F168 P198 T201 P205 Q207 L208 F217 F221 E290 I291F168-Y219 HydrophobicContact CE1-CD2 4.23Å; F168-Y219 AromaticContact CE1-CE2 3.72Å; F168-Y219 HydrophobicContact CE1-CE2 3.72Å; F168-Y219 HydrophobicContact CZ-CE2 4.2Å; P198-Y219 HydrophobicContact CB-CD1 4.04Å; P198-Y219 HydrophobicContact CB-CE1 3.65Å; P198-Y219 HydrophobicContact CG-CD1 4.15Å; P198-Y219 HydrophobicContact CG-CD2 4.05Å; P198-Y219 HydrophobicContact CG-CE1 3.88Å; P198-Y219 HydrophobicContact CG-CE2 3.85Å; P198-Y219 HydrophobicContact CG-CG 4.22Å; T201-Y219 VanDerWaalsContact CB-OH 3.3Å; T201-Y219 WeakPolarHBondContact CB-OH 3.18Å; T201-Y219 HydrophobicContact CG2-CE1 4.16Å; T201-Y219 VanDerWaalsContact CG2-OH 3.26Å; T201-Y219 WeakPolarHBondContact CG2-OH 3.44Å; T201-Y219 WeakPolarHBondContact OG1-CE1 3.09Å; T201-Y219 PolarHBondContact OG1-OH 3.42Å; P205-Y219 HydrophobicContact CB-CE2 4.09Å; Q207-Y219 CarbonylContact O-C 3.59Å; Q207-Y219 WeakPolarHBondContact O-CA 3.47Å; Q207-Y219 VanDerWaalsContact O-CD2 3.25Å; Q207-Y219 WeakPolarHBondContact O-CD2 3.33Å; L208-Y219 HydrophobicContact CB-CD2 4.31Å; L208-Y219 HydrophobicContact CD1-CD2 4.41Å; F217-Y219 HydrophobicContact CZ-CG 4.11Å; Y219-F221 AromaticContact CD1-CD1 3.96Å; Y219-F221 HydrophobicContact CD1-CD1 3.96Å; Y219-F221 HydrophobicContact CD1-CE1 4.35Å; Y219-F221 AromaticContact CE1-CD1 3.44Å; Y219-F221 HydrophobicContact CE1-CD1 3.44Å; Y219-F221 VanDerWaalsContact CE1-CD1 3.44Å; Y219-F221 AromaticContact CE1-CE1 3.95Å; Y219-F221 HydrophobicContact CE1-CE1 3.95Å; Y219-F221 HydrophobicContact CE1-CG 4.29Å; Y219-F221 AromaticContact CZ-CD1 3.83Å; Y219-E290 CarbonylContact O-C 3.43Å; Y219-E290 WeakPolarHBondContact O-CA 3.37Å; Y219-I291 HydrophobicContact CD1-CD1 4.41Å; Y219-I291 PolarHBondContact N-O 3.21Å; Y219-I291 PolarHBondContact O-N 2.8Å
220A98.6Very high90.9Very high1 Ų152.7 Ų52.71%0.00829%0.29CS..EExtended strand (participates in β ladder)trans-134.9142.2176.600000112V206 Q207 Y218 L288 I289 E290V206-A220 PolarHBondContact N-O 3.47Å; Q207-A220 HydrophobicContact CB-CB 4.39Å; Q207-A220 PolarHBondContact N-O 2.83Å; Q207-A220 VanDerWaalsContact N-O 3.13Å; Q207-A220 PolarHBondContact O-N 2.76Å; Y218-A220 HydrophobicContact CE1-CB 3.98Å; A220-L288 HydrophobicContact CB-CD1 4.18Å; A220-L288 HydrophobicContact CB-CG 4.41Å; A220-I289 CarbonylContact C-O 3.12Å; A220-I289 WeakPolarHBondContact CA-O 3.22Å; A220-E290 HydrophobicContact CB-CG 4.11Å
221F97.9Very high90Very high0 Ų056.5 Ų56.50%031%0.313CS..EExtended strand (participates in β ladder)trans-151.7154.7179.965.5-88000112.4T201 Q204 Y219 V237 A238 I289 I291T201-F221 HydrophobicContact CG2-CB 3.88Å; T201-F221 HydrophobicContact CG2-CD1 3.73Å; T201-F221 HydrophobicContact CG2-CD2 3.37Å; T201-F221 HydrophobicContact CG2-CE1 4.03Å; T201-F221 HydrophobicContact CG2-CE2 3.68Å; T201-F221 HydrophobicContact CG2-CG 3.38Å; T201-F221 HydrophobicContact CG2-CZ 4Å; Q204-F221 CarbonylContact O-C 3.52Å; Q204-F221 VanDerWaalsContact O-CA 3.27Å; Q204-F221 WeakPolarHBondContact O-CA 3.11Å; Q204-F221 WeakPolarHBondContact O-CB 3.43Å; Y219-F221 AromaticContact CD1-CD1 3.96Å; Y219-F221 HydrophobicContact CD1-CD1 3.96Å; Y219-F221 HydrophobicContact CD1-CE1 4.35Å; Y219-F221 AromaticContact CE1-CD1 3.44Å; Y219-F221 HydrophobicContact CE1-CD1 3.44Å; Y219-F221 VanDerWaalsContact CE1-CD1 3.44Å; Y219-F221 AromaticContact CE1-CE1 3.95Å; Y219-F221 HydrophobicContact CE1-CE1 3.95Å; Y219-F221 HydrophobicContact CE1-CG 4.29Å; Y219-F221 AromaticContact CZ-CD1 3.83Å; F221-V237 HydrophobicContact CE2-CB 4.38Å; F221-V237 HydrophobicContact CZ-CB 3.98Å; F221-V237 HydrophobicContact CZ-CG2 4.12Å; F221-A238 HydrophobicContact CE1-CB 4.3Å; F221-I289 HydrophobicContact CD1-CB 4.28Å; F221-I289 HydrophobicContact CD1-CG2 4.21Å; F221-I289 HydrophobicContact CD2-CB 4.45Å; F221-I289 HydrophobicContact CE1-CB 3.88Å; F221-I289 HydrophobicContact CE1-CG2 3.48Å; F221-I289 VanDerWaalsContact CE1-CG2 3.48Å; F221-I289 HydrophobicContact CE2-CB 4.08Å; F221-I289 HydrophobicContact CE2-CD1 3.71Å; F221-I289 HydrophobicContact CE2-CG1 4.41Å; F221-I289 HydrophobicContact CE2-CG2 4.4Å; F221-I289 HydrophobicContact CZ-CB 3.77Å; F221-I289 HydrophobicContact CZ-CD1 3.71Å; F221-I289 HydrophobicContact CZ-CG1 4.33Å; F221-I289 HydrophobicContact CZ-CG2 3.59Å; F221-I289 PolarHBondContact N-O 2.78Å; F221-I289 PolarHBondContact O-N 2.87Å; F221-I291 HydrophobicContact CE1-CD1 3.91Å
222V95.7Very high89.3Confident60 Ų6061.1 Ų61.136%0.36434%0.337SS..EExtended strand (participates in β ladder)trans-89.4118.5172.2-177.50000108.8G203 Q204 V206 T224 E287 L288G203-V222 CarbonylContact C-O 3.52Å; G203-V222 WeakPolarHBondContact CA-O 3.4Å; Q204-V222 PolarHBondContact N-O 2.99Å; Q204-V222 PolarHBondContact O-N 2.84Å; V206-V222 HydrophobicContact CG2-CG2 3.67Å; V222-T224 PolarHBondContact O-N 2.89Å; V222-E287 WeakPolarHBondContact CG2-O 3.44Å; V222-L288 HydrophobicContact CG2-CD1 4.46Å
223P93.5Very high89Confident13 Ų1362.5 Ų62.58%0.08435%0.347CS..EExtended strand (participates in β ladder)trans-65.2133.6179.326-33000111.3I286 I289P223-I286 HydrophobicContact CG-CB 4.41Å; P223-I286 HydrophobicContact CG-CG2 4.21Å; P223-I289 HydrophobicContact CB-CD1 4.1Å; P223-I289 HydrophobicContact CG-CD1 4.19Å; P223-I289 HydrophobicContact CG-CG1 4.45Å
224T89.6Confident88.9Confident82 Ų8260.3 Ų60.350%0.50334%0.338SS..  trans-85.3-28.8176.144.70000112.3A202 Q204 V222 K226A202-T224 PolarHBondContact O-N 3.16Å; A202-T224 VanDerWaalsContact O-N 3.14Å; A202-T224 PolarHBondContact O-OG1 3.08Å; Q204-T224 HydrophobicContact CG-CG2 4.16Å; V222-T224 PolarHBondContact O-N 2.89Å; T224-K226 PolarHBondContact O-N 2.87Å
225Q79.4Confident88.8Confident92 Ų9258.9 Ų58.943%0.4333%0.326SS..  trans-82.6109.9-178.2-173.4160.95.100111N227 L235Q225-N227 WeakPolarHBondContact CG-O 3.32Å; Q225-N227 PolarHBondContact NE2-O 3.19Å; Q225-L235 HydrophobicContact CG-CD1 4.03Å
226K72.6Confident88.7Confident142 Ų14262.1 Ų62.162%0.61734%0.343SS*.  trans-101.91.8-179.9-61.8-164.9176.8-162.40114.7T224 I282T224-K226 PolarHBondContact O-N 2.87Å; K226-I282 WeakPolarHBondContact O-CG2 3.5Å
227N75.2Confident88.5Confident133 Ų13360.8 Ų60.871%0.71134%0.335SS*.  trans-136.5141.6-178.7-72.2-25.2000111Q225Q225-N227 WeakPolarHBondContact CG-O 3.32Å; Q225-N227 PolarHBondContact NE2-O 3.19Å
228C80.1Confident88.5Confident32 Ų3260.8 Ų60.822%0.21634%0.335CS..  trans-133.7137.5166.2176.40000110.1N230 S233 L235 C279 I282C228-N230 PolarHBondContact SG-O 2.74Å; C228-S233 PolarHBondContact SG-OG 3.03Å; C228-S233 VanDerWaalsContact SG-OG 3.34Å; C228-L235 HydrophobicContact CB-CD1 4.29Å; C228-C279 HydrophobicContact CB-CB 3.47Å; C228-C279 VanDerWaalsContact CB-CB 3.47Å; C228-C279 WeakPolarHBondContact CB-SG 3.49Å; C228-C279 WeakPolarHBondContact SG-CB 3.33Å; C228-C279 CovalentContact SG-SG 2.01Å; C228-C279 PolarHBondContact SG-SG 3.34Å; C228-I282 HydrophobicContact CB-CD1 3.27Å
229T78.2Confident88.5Confident152 Ų15261.8 Ų61.893%0.93334%0.341SS*.SBendtrans-83.6-30.5-173.949.50000112.9
230N82.2Confident88.4Confident82 Ų8261.7 Ų61.744%0.43934%0.341SS..  trans-114.6111.7178.1-176.4-1.6000110.6C228 N232 S233 C279C228-N230 PolarHBondContact SG-O 2.74Å; N230-N232 PolarHBondContact O-N 2.93Å; N230-N232 VanDerWaalsContact O-N 3.15Å; N230-N232 PolarHBondContact OD1-N 3.14Å; N230-S233 PolarHBondContact O-N 3.23Å; N230-S233 PolarHBondContact O-OG 2.94Å; N230-C279 WeakPolarHBondContact O-CB 3.47Å; N230-C279 PolarHBondContact O-SG 2.6Å
231V78Confident88.4Confident81 Ų8164 Ų6449%0.49135%0.351SS..THydrogen-bonded Turntrans-62.1-23.2-179-67.60000113.8
232N82.1Confident88.4Confident150 Ų15064 Ų6480%0.80235%0.351SS*.THydrogen-bonded Turntrans-90.2-1.7178.8-67.1-17.9000113.2N230N230-N232 PolarHBondContact O-N 2.93Å; N230-N232 VanDerWaalsContact O-N 3.15Å; N230-N232 PolarHBondContact OD1-N 3.14Å
233S88.4Confident88.4Confident37 Ų3761.3 Ų61.326%0.25933%0.334SS..  trans-89.4160.3175.859.30000112.5C228 N230 C279C228-S233 PolarHBondContact SG-OG 3.03Å; C228-S233 VanDerWaalsContact SG-OG 3.34Å; N230-S233 PolarHBondContact O-N 3.23Å; N230-S233 PolarHBondContact O-OG 2.94Å; S233-C279 WeakPolarHBondContact O-CB 3Å; S233-C279 PolarHBondContact O-N 3.31Å; S233-C279 PolarHBondContact O-SG 3.23Å; S233-C279 PolarHBondContact OG-SG 3.16Å
234T90.8Very high88.4Confident78 Ų7862.5 Ų62.548%0.47934%0.339SS..EExtended strand (participates in β ladder)trans-104.9151.5164.952.10000109.5M277T234-M277 CarbonylContact C-O 3.5Å; T234-M277 WeakPolarHBondContact CA-O 3.15Å
235L91.7Very high88.5Confident28 Ų2861.9 Ų61.915%0.14734%0.338CS..EExtended strand (participates in β ladder)trans-109.5132.9173.4-61.6-178000109.3Q225 C228 V237 Y276 M277 I282Q225-L235 HydrophobicContact CG-CD1 4.03Å; C228-L235 HydrophobicContact CB-CD1 4.29Å; L235-V237 HydrophobicContact CB-CG1 4.48Å; L235-V237 PolarHBondContact O-N 3.25Å; L235-Y276 CarbonylContact O-C 3.51Å; L235-Y276 WeakPolarHBondContact O-CA 3.5Å; L235-M277 PolarHBondContact N-O 3.44Å; L235-M277 PolarHBondContact O-N 2.88Å; L235-I282 HydrophobicContact CD1-CD1 3.39Å; L235-I282 HydrophobicContact CG-CD1 4.32Å
236L94.1Very high89.1Confident69 Ų6959.4 Ų59.436%0.36133%0.327SS..EExtended strand (participates in β ladder)trans-67.1120.4167.1179.664.1000108.6E239 F274 Y276L236-E239 HydrophobicContact CD1-CG 4.43Å; L236-E239 HydrophobicContact CD2-CG 4.02Å; L236-F274 HydrophobicContact CD1-CB 3.77Å; L236-F274 HydrophobicContact CD1-CD1 4.01Å; L236-F274 HydrophobicContact CD1-CG 4.22Å; L236-Y276 HydrophobicContact CB-CD1 4.09Å; L236-Y276 HydrophobicContact CB-CE1 3.9Å; L236-Y276 HydrophobicContact CD1-CD1 4.26Å; L236-Y276 HydrophobicContact CD1-CE1 3.88Å; L236-Y276 HydrophobicContact CG-CE1 4.47Å
237V95.2Very high90.1Very high6 Ų653.2 Ų53.24%0.03630%0.301CS..EExtended strand (participates in β ladder)trans-112.2-23.9-177.4-65.10000113.8T201 A202 F221 L235 V275 M277T201-V237 WeakPolarHBondContact CA-O 3.35Å; A202-V237 PolarHBondContact N-O 3.16Å; F221-V237 HydrophobicContact CE2-CB 4.38Å; F221-V237 HydrophobicContact CZ-CB 3.98Å; F221-V237 HydrophobicContact CZ-CG2 4.12Å; L235-V237 HydrophobicContact CB-CG1 4.48Å; L235-V237 PolarHBondContact O-N 3.25Å; V237-V275 HydrophobicContact CG2-CB 4.31Å; V237-V275 HydrophobicContact CG2-CG1 4.02Å; V237-V275 VanDerWaalsContact CG2-O 3.26Å; V237-V275 WeakPolarHBondContact CG2-O 3.11Å; V237-V275 PolarHBondContact N-O 3.04Å; V237-M277 HydrophobicContact CG1-CB 3.6Å; V237-M277 HydrophobicContact CG1-CE 4.08Å; V237-M277 HydrophobicContact CG2-CB 4.35Å
238A97.7Very high91Very high0 Ų046.9 Ų46.90%027%0.267CS..EExtended strand (participates in β ladder)trans-153.4144174.200000111.6S200 F221 I240 V275 I291S200-A238 WeakPolarHBondContact O-CA 3.42Å; F221-A238 HydrophobicContact CE1-CB 4.3Å; A238-I240 HydrophobicContact CB-CD1 4.47Å; A238-I240 HydrophobicContact CB-CG1 4.26Å; A238-V275 HydrophobicContact CB-CB 4.32Å; A238-V275 PolarHBondContact N-O 3.04Å; A238-V275 PolarHBondContact O-N 2.97Å; A238-I291 HydrophobicContact CB-CD1 4.16Å
239E98.1Very high91.6Very high58 Ų5849.2 Ų49.227%0.27128%0.282SS..EExtended strand (participates in β ladder)trans-111.6122.9167.2-56.5174.4-129.400107.3P198 Q199 S200 L236 F274P198-E239 CarbonylContact C-O 3.6Å; P198-E239 WeakPolarHBondContact CA-O 3.27Å; Q199-E239 PolarHBondContact N-O 3.28Å; S200-E239 PolarHBondContact N-O 2.81Å; S200-E239 PolarHBondContact O-N 2.8Å; S200-E239 VanDerWaalsContact O-N 3.1Å; S200-E239 WeakPolarHBondContact OG-CB 3.35Å; S200-E239 WeakPolarHBondContact OG-CG 3.4Å; S200-E239 PolarHBondContact OG-OE1 2.87Å; L236-E239 HydrophobicContact CD1-CG 4.43Å; L236-E239 HydrophobicContact CD2-CG 4.02Å; E239-F274 HydrophobicContact CB-CD1 4.12Å; E239-F274 HydrophobicContact CB-CE1 4.09Å; E239-F274 HydrophobicContact CG-CD1 3.68Å; E239-F274 HydrophobicContact CG-CE1 3.65Å
240I98.5Very high92.4Very high0 Ų046.6 Ų46.60%026%0.259CS..EExtended strand (participates in β ladder)trans-123.1124.7-171.7-55.6175.5000109T196 F217 A238 V242 L272 I273 V275 I291 I293T196-I240 HydrophobicContact CG2-CG2 3.77Å; F217-I240 HydrophobicContact CE1-CD1 4.08Å; F217-I240 HydrophobicContact CE1-CG2 4.11Å; F217-I240 HydrophobicContact CZ-CG2 4.04Å; A238-I240 HydrophobicContact CB-CD1 4.47Å; A238-I240 HydrophobicContact CB-CG1 4.26Å; I240-V242 HydrophobicContact CB-CG2 4.4Å; I240-V242 HydrophobicContact CG2-CG2 3.83Å; I240-L272 WeakPolarHBondContact O-CA 3.46Å; I240-I273 PolarHBondContact N-O 3.16Å; I240-I273 PolarHBondContact O-N 3.01Å; I240-V275 HydrophobicContact CD1-CG2 3.92Å; I240-I291 HydrophobicContact CD1-CD1 4.05Å; I240-I291 HydrophobicContact CD1-CG2 3.86Å; I240-I293 HydrophobicContact CD1-CD1 4.28Å; I240-I293 HydrophobicContact CG2-CD1 4.1Å
241F98.1Very high93Very high50 Ų5043.6 Ų43.622%0.21925%0.247CC..EExtended strand (participates in β ladder)trans-77.6126.5167.2178.9-100.6000109.8T196 Y197 Q199 P243 N271 L272T196-F241 VanDerWaalsContact CA-O 3.27Å; T196-F241 WeakPolarHBondContact CA-O 3.1Å; T196-F241 VanDerWaalsContact CG2-O 3.28Å; T196-F241 WeakPolarHBondContact CG2-O 3.09Å; Y197-F241 HydrophobicContact CD1-CB 4Å; Y197-F241 AromaticContact CD1-CD1 3.84Å; Y197-F241 HydrophobicContact CD1-CD1 3.84Å; Y197-F241 HydrophobicContact CD1-CG 4.34Å; Y197-F241 HydrophobicContact CE1-CB 3.64Å; Y197-F241 AromaticContact CE1-CD1 3.42Å; Y197-F241 HydrophobicContact CE1-CD1 3.42Å; Y197-F241 VanDerWaalsContact CE1-CD1 3.42Å; Y197-F241 HydrophobicContact CE1-CE1 4.31Å; Y197-F241 AromaticContact CE1-CG 3.75Å; Y197-F241 HydrophobicContact CE1-CG 3.75Å; Y197-F241 PolarHBondContact N-O 2.78Å; Y197-F241 VanDerWaalsContact N-O 3.1Å; Y197-F241 PolarHBondContact O-N 3.39Å; Q199-F241 HydrophobicContact CG-CB 4.05Å; F241-P243 HydrophobicContact CE1-CB 3.95Å; F241-P243 HydrophobicContact CE1-CG 4.22Å; F241-P243 HydrophobicContact CZ-CB 4.24Å; F241-N271 CarbonylContact C-O 3.55Å; F241-N271 WeakPolarHBondContact CA-O 3.28Å; F241-N271 HydrophobicContact CD2-CB 4.08Å; F241-N271 WeakPolarHBondContact CD2-O 3.43Å; F241-N271 HydrophobicContact CE2-CB 3.64Å; F241-N271 HydrophobicContact CZ-CB 4.35Å; F241-L272 HydrophobicContact CB-CD2 4.34Å; F241-L272 HydrophobicContact CD2-CD2 4.24Å
242V97.7Very high93.9Very high0 Ų040.5 Ų40.50%023%0.228CC..  trans-131.9101.5-174.8-175.80000107.7T196 I240 M244 Y248 V252 N271 I273 I293T196-V242 HydrophobicContact CG2-CG2 4.06Å; I240-V242 HydrophobicContact CB-CG2 4.4Å; I240-V242 HydrophobicContact CG2-CG2 3.83Å; V242-M244 VanDerWaalsContact C-N 3.32Å; V242-M244 HydrophobicContact CG1-SD 3.8Å; V242-M244 PolarHBondContact O-N 2.85Å; V242-Y248 HydrophobicContact CG1-CD2 3.4Å; V242-Y248 VanDerWaalsContact CG1-CD2 3.4Å; V242-Y248 HydrophobicContact CG1-CE2 3.46Å; V242-Y248 VanDerWaalsContact CG1-CE2 3.46Å; V242-Y248 HydrophobicContact CG1-CG 4.1Å; V242-V252 HydrophobicContact CG1-CG1 4.21Å; V242-N271 PolarHBondContact N-O 3.06Å; V242-N271 CarbonylContact O-C 3.59Å; V242-N271 WeakPolarHBondContact O-CA 3.45Å; V242-N271 VanDerWaalsContact O-CB 3.28Å; V242-N271 WeakPolarHBondContact O-CB 3.41Å; V242-N271 PolarHBondContact O-OD1 3.09Å; V242-I273 HydrophobicContact CB-CD1 4.45Å; V242-I273 HydrophobicContact CB-CG1 4.44Å; V242-I273 HydrophobicContact CG1-CD1 4.48Å; V242-I273 HydrophobicContact CG2-CB 4.09Å; V242-I273 HydrophobicContact CG2-CD1 3.8Å; V242-I273 HydrophobicContact CG2-CG1 3.79Å; V242-I293 HydrophobicContact CG2-CD1 3.99Å
243P94.8Very high94.6Very high3 Ų338.9 Ų38.92%0.01921%0.214CC..  trans-7184.3-17827.9-34.7000111.3S194 F241 S245 I246 H247S194-P243 WeakPolarHBondContact O-CG 3.46Å; F241-P243 HydrophobicContact CE1-CB 3.95Å; F241-P243 HydrophobicContact CE1-CG 4.22Å; F241-P243 HydrophobicContact CZ-CB 4.24Å; P243-S245 PolarHBondContact O-N 2.9Å; P243-I246 HydrophobicContact CB-CB 4.33Å; P243-I246 HydrophobicContact CB-CD1 4.4Å; P243-I246 PolarHBondContact O-N 3.07Å; P243-I246 VanDerWaalsContact O-N 3.16Å; P243-H247 PolarHBondContact O-N 2.78Å
244M94Very high95Very high37 Ų3738.6 Ų38.618%0.18221%0.211CC..Hα-helixtrans-60.3-45.7-168.3-71.4-65.3-72.500112.4V242 I246 Y248 P249 V252 T270 N271V242-M244 VanDerWaalsContact C-N 3.32Å; V242-M244 HydrophobicContact CG1-SD 3.8Å; V242-M244 PolarHBondContact O-N 2.85Å; M244-I246 PolarHBondContact O-N 3.03Å; M244-Y248 CarbonylContact O-C 3.54Å; M244-Y248 WeakPolarHBondContact O-CA 3.39Å; M244-Y248 PolarHBondContact O-N 2.91Å; M244-Y248 VanDerWaalsContact O-N 3.09Å; M244-Y248 VanDerWaalsContact O-O 3.13Å; M244-P249 WeakPolarHBondContact O-CA 3.4Å; M244-V252 HydrophobicContact SD-CG1 4.05Å; M244-T270 WeakPolarHBondContact CG-O 3.2Å; M244-N271 PolarHBondContact N-OD1 2.78Å
245S91.2Very high95.4Very high70 Ų7042.2 Ų42.249%0.4922%0.215SC..Hα-helixtrans-68.2-19.7-178.452.60000114.1V185 P243V185-S245 VanDerWaalsContact CG1-O 3.27Å; V185-S245 WeakPolarHBondContact CG1-O 3.47Å; P243-S245 PolarHBondContact O-N 2.9Å
246I91.7Very high95.7Very high40 Ų4042.1 Ų42.121%0.20521%0.214CC..Hα-helixtrans-100.9-51.6-172.5-58.5174.4000110.7V185 K191 S194 P243 M244V185-I246 HydrophobicContact CG1-CG1 4.21Å; K191-I246 HydrophobicContact CB-CG2 4.4Å; K191-I246 HydrophobicContact CG-CG2 4.35Å; S194-I246 VanDerWaalsContact CB-CD1 3.41Å; S194-I246 WeakPolarHBondContact OG-CD1 3.26Å; P243-I246 HydrophobicContact CB-CB 4.33Å; P243-I246 HydrophobicContact CB-CD1 4.4Å; P243-I246 PolarHBondContact O-N 3.07Å; P243-I246 VanDerWaalsContact O-N 3.16Å; M244-I246 PolarHBondContact O-N 3.03Å
247H93.9Very high95.8Very high11 Ų1142.8 Ų42.85%0.05122%0.218CC..Hα-helixtrans-107.5-17.8-173.8-73.1-81.2000114.2K191 S194 F210 V212 P243 P249 P295K191-H247 WeakPolarHBondContact CG-CE1 3.44Å; K191-H247 PolarHBondContact O-CE1 2.84Å; K191-H247 PolarHBondContact O-NE2 2.68Å; S194-H247 PolarHBondContact O-CD2 3.4Å; S194-H247 PolarHBondContact O-NE2 3.37Å; F210-H247 AromaticContact CE1-CE1 3.85Å; F210-H247 AromaticContact CE1-NE2 3.9Å; F210-H247 AromaticContact CZ-CD2 3.78Å; F210-H247 AromaticContact CZ-CE1 3.56Å; F210-H247 AromaticContact CZ-CG 3.74Å; F210-H247 AromaticContact CZ-ND1 3.63Å; F210-H247 AromaticContact CZ-NE2 3.68Å; V212-H247 PolarHBondContact O-CE1 3.33Å; P243-H247 PolarHBondContact O-N 2.78Å; H247-P249 VanDerWaalsContact C-CD 3.43Å; H247-P295 WeakPolarHBondContact O-CG 3.34Å
248Y95.2Very high95.8Very high1 Ų143.1 Ų43.10%0.00422%0.22CC..  trans-13446.9-172.7-46.9-84.9000112.8T196 G215 V242 M244 H250 G251 V252 I293 P295T196-Y248 WeakPolarHBondContact OG1-CE2 3.28Å; T196-Y248 PolarHBondContact OG1-OH 2.69Å; G215-Y248 VanDerWaalsContact O-CE1 3.28Å; G215-Y248 WeakPolarHBondContact O-CE1 3.28Å; G215-Y248 VanDerWaalsContact O-CZ 3.26Å; G215-Y248 PolarHBondContact O-OH 2.94Å; V242-Y248 HydrophobicContact CG1-CD2 3.4Å; V242-Y248 VanDerWaalsContact CG1-CD2 3.4Å; V242-Y248 HydrophobicContact CG1-CE2 3.46Å; V242-Y248 VanDerWaalsContact CG1-CE2 3.46Å; V242-Y248 HydrophobicContact CG1-CG 4.1Å; M244-Y248 CarbonylContact O-C 3.54Å; M244-Y248 WeakPolarHBondContact O-CA 3.39Å; M244-Y248 PolarHBondContact O-N 2.91Å; 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 3.29Å; Y248-V252 HydrophobicContact CD1-CG1 3.55Å; Y248-V252 HydrophobicContact CD2-CG1 4.48Å; Y248-V252 HydrophobicContact CE1-CG1 4.24Å; Y248-V252 HydrophobicContact CG-CG1 3.68Å; Y248-I293 HydrophobicContact CD1-CG2 4.44Å; Y248-I293 HydrophobicContact CE1-CG2 3.86Å; Y248-P295 HydrophobicContact CD1-CB 3.96Å; Y248-P295 HydrophobicContact CD1-CG 3.66Å; Y248-P295 HydrophobicContact CE1-CB 4.42Å; Y248-P295 HydrophobicContact CE1-CG 3.66Å
249P92.5Very high95.7Very high81 Ų8151.1 Ų51.153%0.52626%0.258SS..THydrogen-bonded Turntrans-61.7-23.1-17224.1-34.6000113.5M244 H247M244-P249 WeakPolarHBondContact O-CA 3.4Å; H247-P249 VanDerWaalsContact C-CD 3.43Å
250H94.2Very high95.5Very high97 Ų9753.4 Ų53.445%0.44927%0.268SS..THydrogen-bonded Turntrans-104.616177.6-45.3110.2000112.7Y248 N296 N298Y248-H250 PolarHBondContact O-N 3.31Å; H250-N296 HydrophobicContact CB-CB 4.29Å; H250-N296 WeakPolarHBondContact O-CB 3.25Å; H250-N296 PolarHBondContact O-ND2 3.3Å; H250-N298 PolarHBondContact CD2-OD1 2.85Å; H250-N298 PolarHBondContact CE1-ND2 2.93Å; H250-N298 PolarHBondContact CE1-OD1 2.81Å; H250-N298 PolarHBondContact ND1-OD1 3.01Å; H250-N298 PolarHBondContact NE2-ND2 3.46Å; H250-N298 PolarHBondContact NE2-OD1 3.45Å
251G95.2Very high95.3Very high18 Ų1853.5 Ų53.519%0.18627%0.269CS..  trans86.9-172.5-17700000114.1Y248 N296Y248-G251 PolarHBondContact O-N 3.29Å; G251-N296 PolarHBondContact O-N 3.01Å
252V96.7Very high95.2Very high16 Ų1656 Ų5610%0.09728%0.284CS..EExtended strand (participates in β ladder)trans-121.7150.5-172.1-59.60000112.2V242 M244 Y248 Y263 I273 I293 I294 N296V242-V252 HydrophobicContact CG1-CG1 4.21Å; M244-V252 HydrophobicContact SD-CG1 4.05Å; Y248-V252 HydrophobicContact CD1-CG1 3.55Å; Y248-V252 HydrophobicContact CD2-CG1 4.48Å; Y248-V252 HydrophobicContact CE1-CG1 4.24Å; Y248-V252 HydrophobicContact CG-CG1 3.68Å; V252-Y263 HydrophobicContact CG2-CE2 4.28Å; V252-I273 HydrophobicContact CG2-CD1 4Å; V252-I293 HydrophobicContact CB-CG2 3.79Å; V252-I293 HydrophobicContact CG1-CG2 3.66Å; V252-I294 WeakPolarHBondContact CA-O 3.39Å; V252-N296 PolarHBondContact N-ND2 2.78Å
253K96.9Very high95.2Very high117 Ų11759.8 Ų59.851%0.50930%0.299SS..EExtended strand (participates in β ladder)trans-112.5129.8160.7179.1173.5-177.2169.90109I294 N296K253-I294 HydrophobicContact CB-CB 4.49Å; K253-I294 PolarHBondContact N-O 3.48Å; K253-I294 PolarHBondContact O-N 3.09Å; K253-N296 PolarHBondContact N-OD1 3.19Å
254T97.4Very high95.3Very high31 Ų3165.2 Ų65.219%0.1932%0.324CS..EExtended strand (participates in β ladder)trans-102.8150.5177.858.30000111.7F256 Y263 T292 I293T254-F256 HydrophobicContact CG2-CE1 4.33Å; T254-F256 HydrophobicContact CG2-CZ 3.84Å; T254-F256 WeakPolarHBondContact OG1-CE2 3.46Å; T254-Y263 HydrophobicContact CG2-CD1 3.85Å; T254-Y263 HydrophobicContact CG2-CE1 3.59Å; T254-Y263 HydrophobicContact CG2-CE2 4.42Å; T254-Y263 HydrophobicContact CG2-CG 4.36Å; T254-Y263 VanDerWaalsContact OG1-CE1 3.25Å; T254-Y263 WeakPolarHBondContact OG1-CE1 3.41Å; T254-T292 CarbonylContact C-O 3.58Å; T254-T292 VanDerWaalsContact CA-O 3.29Å; T254-T292 WeakPolarHBondContact CA-O 3.36Å; T254-I293 HydrophobicContact CG2-CG1 4.37Å
255R98.1Very high95.3Very high154 Ų15466.2 Ų66.258%0.58133%0.332SS*.EExtended strand (participates in β ladder)trans-130.5128.2162.8-57.1-178.8-175.6177.21.3107.7T292 I294R255-T292 PolarHBondContact N-O 2.97Å; R255-T292 PolarHBondContact O-N 3.48Å; R255-I294 HydrophobicContact CG-CD1 4.41Å
256F98.1Very high95.3Very high26 Ų2667.3 Ų67.311%0.11433%0.326CS..EExtended strand (participates in β ladder)trans-119.3142.9-178.8-59.6-51.6000110.7T254 P258 E259 L261 Y263 V275 E290 I291T254-F256 HydrophobicContact CG2-CE1 4.33Å; T254-F256 HydrophobicContact CG2-CZ 3.84Å; T254-F256 WeakPolarHBondContact OG1-CE2 3.46Å; F256-P258 CarbonylContact C-O 3.58Å; F256-P258 WeakPolarHBondContact CB-O 3.42Å; F256-P258 CarbonylContact O-C 3.55Å; F256-E259 WeakPolarHBondContact O-CA 3.44Å; F256-E259 PolarHBondContact O-N 2.98Å; F256-L261 HydrophobicContact CB-CB 3.86Å; F256-L261 HydrophobicContact CB-CD1 4.14Å; F256-L261 HydrophobicContact CB-CG 4.31Å; F256-L261 HydrophobicContact CD1-CB 4.4Å; F256-L261 HydrophobicContact CD1-CD1 4.46Å; F256-L261 HydrophobicContact CD2-CB 3.85Å; F256-L261 WeakPolarHBondContact CD2-O 2.91Å; F256-L261 HydrophobicContact CE2-CB 4.48Å; F256-L261 HydrophobicContact CG-CB 3.8Å; F256-L261 HydrophobicContact CG-CD1 4.4Å; F256-Y263 AromaticContact CE2-CD1 3.74Å; F256-Y263 HydrophobicContact CE2-CD1 3.74Å; F256-Y263 AromaticContact CZ-CD1 3.66Å; F256-Y263 HydrophobicContact CZ-CD1 3.66Å; F256-Y263 HydrophobicContact CZ-CG 4.11Å; F256-V275 HydrophobicContact CE1-CG1 4.25Å; F256-V275 HydrophobicContact CE1-CG2 4.44Å; F256-V275 HydrophobicContact CZ-CG1 4.49Å; F256-E290 WeakPolarHBondContact CA-O 3.39Å; F256-I291 HydrophobicContact CD1-CB 4.31Å; F256-I291 HydrophobicContact CD1-CG1 3.93Å; F256-I291 HydrophobicContact CD1-CG2 4.2Å; F256-I291 HydrophobicContact CE1-CB 4.4Å; F256-I291 HydrophobicContact CE1-CG1 4.12Å; F256-I291 HydrophobicContact CE1-CG2 3.83Å
257N96.4Very high95.1Very high82 Ų8274 Ų7444%0.43936%0.357SS..EExtended strand (participates in β ladder)trans-125.6115.5161.7-177.618000107.1I289 E290N257-I289 CarbonylContact O-C 2.86Å; N257-I289 VanDerWaalsContact O-CA 3.32Å; N257-I289 WeakPolarHBondContact O-CA 3.35Å; N257-E290 HydrophobicContact CB-CB 4.05Å; N257-E290 HydrophobicContact CB-CG 4.35Å; N257-E290 PolarHBondContact N-O 3.48Å; N257-E290 PolarHBondContact ND2-OE2 3.03Å; N257-E290 PolarHBondContact O-N 3.19Å
258P94.8Very high94.9Very high14 Ų1479.8 Ų79.89%0.09139%0.388CS..SBendcis-69.1152.8-0.131.4-37000113.1F256 Q260 L261 L281 I286F256-P258 CarbonylContact C-O 3.58Å; F256-P258 WeakPolarHBondContact CB-O 3.42Å; F256-P258 CarbonylContact O-C 3.55Å; P258-Q260 PolarHBondContact O-N 3.15Å; P258-L261 HydrophobicContact CG-CD2 4.34Å; P258-L261 HydrophobicContact CG-CG 4.17Å; P258-L261 WeakPolarHBondContact O-CG 3.4Å; P258-L261 PolarHBondContact O-N 3Å; P258-L281 HydrophobicContact CB-CD1 4Å; P258-L281 HydrophobicContact CB-CD2 4.4Å; P258-L281 HydrophobicContact CG-CD1 3.46Å; P258-L281 VanDerWaalsContact CG-CD1 3.46Å; P258-I286 HydrophobicContact CG-CD1 3.83Å
259E95.5Very high94.7Very high168 Ų16882.5 Ų82.579%0.78540%0.403SS*.THydrogen-bonded Turntrans-65.6-20.3-175.1-67.4-175.3168.400113.9F256 L261F256-E259 WeakPolarHBondContact O-CA 3.44Å; F256-E259 PolarHBondContact O-N 2.98Å; E259-L261 PolarHBondContact O-N 3.08Å
260Q93.9Very high94.7Very high106 Ų10682.5 Ų82.550%0.49540%0.401SS..THydrogen-bonded Turntrans-79.72.1-177.6-50.485.9-27.600113.5P258 P278 L281P258-Q260 PolarHBondContact O-N 3.15Å; Q260-P278 HydrophobicContact CB-CG 4.17Å; Q260-P278 VanDerWaalsContact O-CD 3.22Å; Q260-P278 WeakPolarHBondContact O-CD 2.96Å; Q260-P278 WeakPolarHBondContact O-CG 3.21Å; Q260-L281 HydrophobicContact CB-CD1 3.82Å; Q260-L281 HydrophobicContact CB-CG 4.29Å
261L95.7Very high94.8Very high2 Ų279.9 Ų79.91%0.0139%0.391CS..  trans-65.9143167.5-60.5-177.6000109.7F256 P258 E259 V275 Y276 M277 L281 I289F256-L261 HydrophobicContact CB-CB 3.86Å; F256-L261 HydrophobicContact CB-CD1 4.14Å; F256-L261 HydrophobicContact CB-CG 4.31Å; F256-L261 HydrophobicContact CD1-CB 4.4Å; F256-L261 HydrophobicContact CD1-CD1 4.46Å; F256-L261 HydrophobicContact CD2-CB 3.85Å; F256-L261 WeakPolarHBondContact CD2-O 2.91Å; F256-L261 HydrophobicContact CE2-CB 4.48Å; F256-L261 HydrophobicContact CG-CB 3.8Å; F256-L261 HydrophobicContact CG-CD1 4.4Å; P258-L261 HydrophobicContact CG-CD2 4.34Å; P258-L261 HydrophobicContact CG-CG 4.17Å; P258-L261 WeakPolarHBondContact O-CG 3.4Å; P258-L261 PolarHBondContact O-N 3Å; E259-L261 PolarHBondContact O-N 3.08Å; L261-V275 HydrophobicContact CB-CG1 4.34Å; L261-V275 HydrophobicContact CD1-CG1 4.31Å; L261-Y276 WeakPolarHBondContact CA-O 3.39Å; L261-M277 HydrophobicContact CD2-CB 3.49Å; L261-M277 VanDerWaalsContact CD2-CB 3.49Å; L261-M277 HydrophobicContact CD2-CG 3.66Å; L261-M277 HydrophobicContact CD2-SD 4.49Å; L261-L281 HydrophobicContact CD2-CD1 4.5Å; L261-I289 HydrophobicContact CD1-CG2 3.53Å
262N95.9Very high94.9Very high103 Ų10380 Ų8055%0.55139%0.387SS*.EExtended strand (participates in β ladder)trans-120162174.3-67.9-29.2000109.3V275 Y276N262-V275 WeakPolarHBondContact O-CA 3.37Å; N262-Y276 PolarHBondContact N-O 2.85Å; N262-Y276 PolarHBondContact O-N 2.8Å
263Y97.1Very high94.9Very high79 Ų7979.2 Ų79.231%0.3138%0.382SS..EExtended strand (participates in β ladder)trans-137.3156.6173.877.2-79.7000111.7V252 T254 F256 V265 I273 F274V252-Y263 HydrophobicContact CG2-CE2 4.28Å; T254-Y263 HydrophobicContact CG2-CD1 3.85Å; T254-Y263 HydrophobicContact CG2-CE1 3.59Å; T254-Y263 HydrophobicContact CG2-CE2 4.42Å; T254-Y263 HydrophobicContact CG2-CG 4.36Å; T254-Y263 VanDerWaalsContact OG1-CE1 3.25Å; T254-Y263 WeakPolarHBondContact OG1-CE1 3.41Å; F256-Y263 AromaticContact CE2-CD1 3.74Å; F256-Y263 HydrophobicContact CE2-CD1 3.74Å; F256-Y263 AromaticContact CZ-CD1 3.66Å; F256-Y263 HydrophobicContact CZ-CD1 3.66Å; F256-Y263 HydrophobicContact CZ-CG 4.11Å; Y263-V265 HydrophobicContact CE2-CG2 4.24Å; Y263-I273 HydrophobicContact CD2-CD1 4.15Å; Y263-I273 HydrophobicContact CD2-CG1 4.48Å; Y263-I273 HydrophobicContact CD2-CG2 3.67Å; Y263-I273 HydrophobicContact CE2-CD1 4.21Å; Y263-I273 HydrophobicContact CG-CG2 4.07Å; Y263-F274 CarbonylContact C-O 3.5Å; Y263-F274 WeakPolarHBondContact CA-O 3.32Å; Y263-F274 WeakPolarHBondContact CB-O 3.25Å
264E96.4Very high95Very high116 Ų11675 Ų7554%0.54236%0.364SS..EExtended strand (participates in β ladder)trans-130.4141.2172.8-63.5174.317300108.6I273 F274 Y276E264-I273 WeakPolarHBondContact O-CA 3.36Å; E264-F274 PolarHBondContact N-O 3.29Å; E264-F274 PolarHBondContact O-N 2.01Å; E264-Y276 HydrophobicContact CB-CE2 4.12Å; E264-Y276 HydrophobicContact CG-CD2 4.44Å; E264-Y276 HydrophobicContact CG-CE2 3.98Å
265V94.8Very high95Very high59 Ų5973.6 Ų73.636%0.35836%0.355SS..EExtended strand (participates in β ladder)trans-84.5130.7169.1178.60000107.2Y263 E267 T270 I273Y263-V265 HydrophobicContact CE2-CG2 4.24Å; V265-E267 PolarHBondContact O-N 3.39Å; V265-T270 HydrophobicContact CG1-CG2 4.5Å; V265-I273 HydrophobicContact CG2-CG1 4.24Å
266Y91.9Very high94.9Very high92 Ų9268.6 Ų68.636%0.36134%0.337SS..  trans-67.5123.9-177.6-174.4-142.5000111.3N268 N269 L272 F274Y266-N268 HydrophobicContact CD1-CB 4.21Å; Y266-N268 HydrophobicContact CE1-CB 3.68Å; Y266-N268 HydrophobicContact CE2-CB 4.38Å; Y266-N268 PolarHBondContact O-N 2.89Å; Y266-N268 PolarHBondContact OH-ND2 2.86Å; Y266-N268 VanDerWaalsContact OH-ND2 3.15Å; Y266-N269 HydrophobicContact CD1-CB 3.93Å; Y266-N269 CarbonylContact O-C 3.51Å; Y266-N269 PolarHBondContact O-N 2.92Å; Y266-N269 VanDerWaalsContact O-N 3.08Å; Y266-N269 VanDerWaalsContact O-O 3.08Å; Y266-L272 HydrophobicContact CD1-CD1 4.1Å; Y266-L272 PolarHBondContact N-O 2.83Å; Y266-F274 HydrophobicContact CD1-CE2 4.31Å; Y266-F274 HydrophobicContact CD1-CZ 4.42Å; Y266-F274 HydrophobicContact CD2-CD2 4.45Å; Y266-F274 AromaticContact CD2-CE2 3.52Å; Y266-F274 HydrophobicContact CD2-CE2 3.52Å; Y266-F274 HydrophobicContact CD2-CZ 4.3Å; Y266-F274 HydrophobicContact CE2-CE2 4.28Å; Y266-F274 AromaticContact CG-CE2 3.53Å; Y266-F274 HydrophobicContact CG-CE2 3.53Å; Y266-F274 HydrophobicContact CG-CZ 4.07Å
267E87.5Confident94.6Very high182 Ų18267.6 Ų67.685%0.8533%0.332SS*.THydrogen-bonded Turntrans-57.4-36.3-175-63.3-176.4167.100113.2V265V265-E267 PolarHBondContact O-N 3.39Å
268N88.4Confident94.4Very high131 Ų13164.9 Ų64.970%0.70132%0.319SS*.THydrogen-bonded Turntrans-86.8-14.3-178.3-63.8-27.1000113.6Y266Y266-N268 HydrophobicContact CD1-CB 4.21Å; Y266-N268 HydrophobicContact CE1-CB 3.68Å; Y266-N268 HydrophobicContact CE2-CB 4.38Å; Y266-N268 PolarHBondContact O-N 2.89Å; Y266-N268 PolarHBondContact OH-ND2 2.86Å; Y266-N268 VanDerWaalsContact OH-ND2 3.15Å
269N91.9Very high94.2Very high58 Ų5864.5 Ų64.531%0.3132%0.317SS..  trans-150.7100.9176.3-175.8-2.2000109.7Y266 N271 L272Y266-N269 HydrophobicContact CD1-CB 3.93Å; Y266-N269 CarbonylContact O-C 3.51Å; Y266-N269 PolarHBondContact O-N 2.92Å; Y266-N269 VanDerWaalsContact O-N 3.08Å; Y266-N269 VanDerWaalsContact O-O 3.08Å; N269-N271 PolarHBondContact O-N 3.29Å; N269-N271 WeakPolarHBondContact OD1-CB 3.1Å; N269-N271 PolarHBondContact OD1-N 3.34Å; N269-N271 PolarHBondContact OD1-ND2 2.89Å; N269-L272 HydrophobicContact CB-CD1 4.17Å; N269-L272 HydrophobicContact CB-CG 4.36Å; N269-L272 PolarHBondContact O-N 2.77Å
270T91.5Very high93.7Very high82 Ų8260.9 Ų60.950%0.50331%0.307SS..THydrogen-bonded Turntrans-62.5-14-179.354.60000113.5M244 V265 L272M244-T270 WeakPolarHBondContact CG-O 3.2Å; V265-T270 HydrophobicContact CG1-CG2 4.5Å; T270-L272 PolarHBondContact O-N 2.84Å
271N96Very high93.3Very high41 Ų4156.4 Ų56.422%0.21929%0.286CS..THydrogen-bonded Turntrans-83.29.7174-53.7-66.9000113.8F241 V242 M244 N269F241-N271 CarbonylContact C-O 3.55Å; F241-N271 WeakPolarHBondContact CA-O 3.28Å; F241-N271 HydrophobicContact CD2-CB 4.08Å; F241-N271 WeakPolarHBondContact CD2-O 3.43Å; F241-N271 HydrophobicContact CE2-CB 3.64Å; F241-N271 HydrophobicContact CZ-CB 4.35Å; V242-N271 PolarHBondContact N-O 3.06Å; V242-N271 CarbonylContact O-C 3.59Å; V242-N271 WeakPolarHBondContact O-CA 3.45Å; V242-N271 VanDerWaalsContact O-CB 3.28Å; V242-N271 WeakPolarHBondContact O-CB 3.41Å; V242-N271 PolarHBondContact O-OD1 3.09Å; M244-N271 PolarHBondContact N-OD1 2.78Å; N269-N271 PolarHBondContact O-N 3.29Å; N269-N271 WeakPolarHBondContact OD1-CB 3.1Å; N269-N271 PolarHBondContact OD1-N 3.34Å; N269-N271 PolarHBondContact OD1-ND2 2.89Å
272L97.7Very high92.3Very high20 Ų2057.3 Ų57.311%0.10529%0.29CS..EExtended strand (participates in β ladder)trans-120.7127.1176-66176.9000110.4Q199 I240 F241 Y266 N269 T270Q199-L272 VanDerWaalsContact OE1-CD2 3.27Å; I240-L272 WeakPolarHBondContact O-CA 3.46Å; F241-L272 HydrophobicContact CB-CD2 4.34Å; F241-L272 HydrophobicContact CD2-CD2 4.24Å; Y266-L272 HydrophobicContact CD1-CD1 4.1Å; Y266-L272 PolarHBondContact N-O 2.83Å; N269-L272 HydrophobicContact CB-CD1 4.17Å; N269-L272 HydrophobicContact CB-CG 4.36Å; N269-L272 PolarHBondContact O-N 2.77Å; T270-L272 PolarHBondContact O-N 2.84Å
273I97.9Very high91.1Very high1 Ų161 Ų611%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-110.8127.3170.3-68.4-171.7000109I240 V242 V252 Y263 E264 V265 V275 I293I240-I273 PolarHBondContact N-O 3.16Å; I240-I273 PolarHBondContact O-N 3.01Å; V242-I273 HydrophobicContact CB-CD1 4.45Å; V242-I273 HydrophobicContact CB-CG1 4.44Å; V242-I273 HydrophobicContact CG1-CD1 4.48Å; V242-I273 HydrophobicContact CG2-CB 4.09Å; V242-I273 HydrophobicContact CG2-CD1 3.8Å; V242-I273 HydrophobicContact CG2-CG1 3.79Å; V252-I273 HydrophobicContact CG2-CD1 4Å; Y263-I273 HydrophobicContact CD2-CD1 4.15Å; Y263-I273 HydrophobicContact CD2-CG1 4.48Å; Y263-I273 HydrophobicContact CD2-CG2 3.67Å; Y263-I273 HydrophobicContact CE2-CD1 4.21Å; Y263-I273 HydrophobicContact CG-CG2 4.07Å; E264-I273 WeakPolarHBondContact O-CA 3.36Å; V265-I273 HydrophobicContact CG2-CG1 4.24Å; I273-V275 HydrophobicContact CG2-CG2 4.09Å; I273-I293 HydrophobicContact CD1-CD1 4.41Å
274F98Very high90.1Very high29 Ų2961.3 Ų61.313%0.12731%0.312CS..EExtended strand (participates in β ladder)trans-99.4125.4171.3-63.8-51000110L236 E239 Y263 E264 Y266 Y276L236-F274 HydrophobicContact CD1-CB 3.77Å; L236-F274 HydrophobicContact CD1-CD1 4.01Å; L236-F274 HydrophobicContact CD1-CG 4.22Å; E239-F274 HydrophobicContact CB-CD1 4.12Å; E239-F274 HydrophobicContact CB-CE1 4.09Å; E239-F274 HydrophobicContact CG-CD1 3.68Å; E239-F274 HydrophobicContact CG-CE1 3.65Å; Y263-F274 CarbonylContact C-O 3.5Å; Y263-F274 WeakPolarHBondContact CA-O 3.32Å; Y263-F274 WeakPolarHBondContact CB-O 3.25Å; E264-F274 PolarHBondContact N-O 3.29Å; E264-F274 PolarHBondContact O-N 2.01Å; Y266-F274 HydrophobicContact CD1-CE2 4.31Å; Y266-F274 HydrophobicContact CD1-CZ 4.42Å; Y266-F274 HydrophobicContact CD2-CD2 4.45Å; Y266-F274 AromaticContact CD2-CE2 3.52Å; Y266-F274 HydrophobicContact CD2-CE2 3.52Å; Y266-F274 HydrophobicContact CD2-CZ 4.3Å; Y266-F274 HydrophobicContact CE2-CE2 4.28Å; Y266-F274 AromaticContact CG-CE2 3.53Å; Y266-F274 HydrophobicContact CG-CE2 3.53Å; Y266-F274 HydrophobicContact CG-CZ 4.07Å; F274-Y276 HydrophobicContact CB-CD2 4.46Å; F274-Y276 HydrophobicContact CB-CE2 3.64Å
275V97.6Very high89.2Confident1 Ų160.4 Ų60.41%0.00631%0.311CS..EExtended strand (participates in β ladder)trans-106.3129.5178.9-175.70000109.6V237 A238 I240 F256 L261 N262 I273 I291V237-V275 HydrophobicContact CG2-CB 4.31Å; V237-V275 HydrophobicContact CG2-CG1 4.02Å; V237-V275 VanDerWaalsContact CG2-O 3.26Å; V237-V275 WeakPolarHBondContact CG2-O 3.11Å; V237-V275 PolarHBondContact N-O 3.04Å; A238-V275 HydrophobicContact CB-CB 4.32Å; A238-V275 PolarHBondContact N-O 3.04Å; A238-V275 PolarHBondContact O-N 2.97Å; I240-V275 HydrophobicContact CD1-CG2 3.92Å; F256-V275 HydrophobicContact CE1-CG1 4.25Å; F256-V275 HydrophobicContact CE1-CG2 4.44Å; F256-V275 HydrophobicContact CZ-CG1 4.49Å; L261-V275 HydrophobicContact CB-CG1 4.34Å; L261-V275 HydrophobicContact CD1-CG1 4.31Å; N262-V275 WeakPolarHBondContact O-CA 3.37Å; I273-V275 HydrophobicContact CG2-CG2 4.09Å; V275-I291 HydrophobicContact CB-CD1 4.24Å; V275-I291 HydrophobicContact CG1-CD1 4.01Å; V275-I291 HydrophobicContact CG1-CG1 4.47Å; V275-I291 HydrophobicContact CG2-CD1 4.06Å
276Y95.5Very high88.7Confident48 Ų4859 Ų5919%0.18830%0.301CS..EExtended strand (participates in β ladder)trans-119.1139.8-174.2-62.6-82.9000112L235 L236 L261 N262 E264 F274L235-Y276 CarbonylContact O-C 3.51Å; L235-Y276 WeakPolarHBondContact O-CA 3.5Å; L236-Y276 HydrophobicContact CB-CD1 4.09Å; L236-Y276 HydrophobicContact CB-CE1 3.9Å; L236-Y276 HydrophobicContact CD1-CD1 4.26Å; L236-Y276 HydrophobicContact CD1-CE1 3.88Å; L236-Y276 HydrophobicContact CG-CE1 4.47Å; L261-Y276 WeakPolarHBondContact CA-O 3.39Å; N262-Y276 PolarHBondContact N-O 2.85Å; N262-Y276 PolarHBondContact O-N 2.8Å; E264-Y276 HydrophobicContact CB-CE2 4.12Å; E264-Y276 HydrophobicContact CG-CD2 4.44Å; E264-Y276 HydrophobicContact CG-CE2 3.98Å; F274-Y276 HydrophobicContact CB-CD2 4.46Å; F274-Y276 HydrophobicContact CB-CE2 3.64Å
277M93.3Very high88.6Confident5 Ų561.8 Ų61.83%0.02532%0.317CS..EExtended strand (participates in β ladder)trans-109.2125.6173.3-176175.76000110.5T234 L235 V237 L261 L281 I282 I286 I289T234-M277 CarbonylContact C-O 3.5Å; T234-M277 WeakPolarHBondContact CA-O 3.15Å; L235-M277 PolarHBondContact N-O 3.44Å; L235-M277 PolarHBondContact O-N 2.88Å; V237-M277 HydrophobicContact CG1-CB 3.6Å; V237-M277 HydrophobicContact CG1-CE 4.08Å; V237-M277 HydrophobicContact CG2-CB 4.35Å; L261-M277 HydrophobicContact CD2-CB 3.49Å; L261-M277 VanDerWaalsContact CD2-CB 3.49Å; L261-M277 HydrophobicContact CD2-CG 3.66Å; L261-M277 HydrophobicContact CD2-SD 4.49Å; M277-L281 HydrophobicContact CG-CB 4.06Å; M277-L281 HydrophobicContact CG-CD1 4.03Å; M277-L281 HydrophobicContact SD-CB 4.33Å; M277-I282 HydrophobicContact CE-CD1 4.16Å; M277-I282 HydrophobicContact CE-CG1 3.57Å; M277-I286 HydrophobicContact SD-CD1 3.71Å; M277-I289 HydrophobicContact SD-CD1 4.06Å
278P92.2Very high89Confident25 Ų2556 Ų5616%0.16229%0.292CS..EExtended strand (participates in β ladder)trans-64138.4172.727.1-35.6000110.9Q260 T280 L281Q260-P278 HydrophobicContact CB-CG 4.17Å; Q260-P278 VanDerWaalsContact O-CD 3.22Å; Q260-P278 WeakPolarHBondContact O-CD 2.96Å; Q260-P278 WeakPolarHBondContact O-CG 3.21Å; P278-T280 PolarHBondContact O-N 2.77Å; P278-T280 VanDerWaalsContact O-N 3.08Å; P278-L281 HydrophobicContact CG-CB 4.4Å; P278-L281 HydrophobicContact CG-CD1 3.86Å; P278-L281 HydrophobicContact CG-CG 3.96Å; P278-L281 WeakPolarHBondContact O-CB 3.47Å; P278-L281 PolarHBondContact O-N 3.04Å
279C88.8Confident89.4Confident7 Ų749.8 Ų49.85%0.04726%0.259CS..G310 helixtrans-62.4-21-178-74.70000114.4C228 N230 S233 L281 I282C228-C279 HydrophobicContact CB-CB 3.47Å; C228-C279 VanDerWaalsContact CB-CB 3.47Å; C228-C279 WeakPolarHBondContact CB-SG 3.49Å; C228-C279 WeakPolarHBondContact SG-CB 3.33Å; C228-C279 CovalentContact SG-SG 2.01Å; C228-C279 PolarHBondContact SG-SG 3.34Å; N230-C279 WeakPolarHBondContact O-CB 3.47Å; N230-C279 PolarHBondContact O-SG 2.6Å; S233-C279 WeakPolarHBondContact O-CB 3Å; S233-C279 PolarHBondContact O-N 3.31Å; S233-C279 PolarHBondContact O-SG 3.23Å; S233-C279 PolarHBondContact OG-SG 3.16Å; C279-L281 PolarHBondContact O-N 3.17Å; C279-I282 HydrophobicContact CB-CD1 4.26Å; C279-I282 WeakPolarHBondContact O-CB 3.29Å; C279-I282 PolarHBondContact O-N 3.49Å
280T86.1Confident89.7Confident92 Ų9249.5 Ų49.556%0.56426%0.255SS*.G310 helixtrans-60.8-29.9173.752.30000112.9P278 I282P278-T280 PolarHBondContact O-N 2.77Å; P278-T280 VanDerWaalsContact O-N 3.08Å; T280-I282 VanDerWaalsContact C-N 3.33Å
281L85.5Confident90Very high12 Ų1245.6 Ų45.66%0.06323%0.232CC..G310 helixtrans-73.9-21.1178.4-87.1-175.3000113.7P258 Q260 L261 M277 P278 C279 K283 T284 I286P258-L281 HydrophobicContact CB-CD1 4Å; P258-L281 HydrophobicContact CB-CD2 4.4Å; P258-L281 HydrophobicContact CG-CD1 3.46Å; P258-L281 VanDerWaalsContact CG-CD1 3.46Å; Q260-L281 HydrophobicContact CB-CD1 3.82Å; Q260-L281 HydrophobicContact CB-CG 4.29Å; L261-L281 HydrophobicContact CD2-CD1 4.5Å; M277-L281 HydrophobicContact CG-CB 4.06Å; M277-L281 HydrophobicContact CG-CD1 4.03Å; M277-L281 HydrophobicContact SD-CB 4.33Å; P278-L281 HydrophobicContact CG-CB 4.4Å; P278-L281 HydrophobicContact CG-CD1 3.86Å; P278-L281 HydrophobicContact CG-CG 3.96Å; P278-L281 WeakPolarHBondContact O-CB 3.47Å; P278-L281 PolarHBondContact O-N 3.04Å; C279-L281 PolarHBondContact O-N 3.17Å; L281-K283 PolarHBondContact O-N 3.03Å; L281-K283 VanDerWaalsContact O-N 3.17Å; L281-T284 PolarHBondContact O-N 3.33Å; L281-T284 PolarHBondContact O-OG1 3.08Å; L281-I286 HydrophobicContact CB-CD1 3.74Å; L281-I286 HydrophobicContact CD1-CD1 4.17Å; L281-I286 HydrophobicContact CD2-CD1 4.35Å; L281-I286 HydrophobicContact CG-CD1 4.32Å
282I75.1Confident90.2Very high20 Ų2045 Ų4510%0.10323%0.23CC..G310 helixtrans-65.3-28.3-174.5-68.3168.5000112K226 C228 L235 M277 C279 T280 T284K226-I282 WeakPolarHBondContact O-CG2 3.5Å; C228-I282 HydrophobicContact CB-CD1 3.27Å; L235-I282 HydrophobicContact CD1-CD1 3.39Å; L235-I282 HydrophobicContact CG-CD1 4.32Å; M277-I282 HydrophobicContact CE-CD1 4.16Å; M277-I282 HydrophobicContact CE-CG1 3.57Å; C279-I282 HydrophobicContact CB-CD1 4.26Å; C279-I282 WeakPolarHBondContact O-CB 3.29Å; C279-I282 PolarHBondContact O-N 3.49Å; T280-I282 VanDerWaalsContact C-N 3.33Å; I282-T284 PolarHBondContact O-N 3.19Å
283K69.8Low90.2Very high180 Ų18044.1 Ų44.178%0.78323%0.225SC*.G310 helixtrans-71.6-12.2177.8-66.2-175179.5-179.60113.6L281 N285L281-K283 PolarHBondContact O-N 3.03Å; L281-K283 VanDerWaalsContact O-N 3.17Å; K283-N285 VanDerWaalsContact C-N 3.29Å; K283-N285 PolarHBondContact O-N 3.06Å
284T75.9Confident90.2Very high87 Ų8745.8 Ų45.853%0.53423%0.234SC..G310 helixtrans-88.47.5-175.866.60000113.6L281 I282 I286L281-T284 PolarHBondContact O-N 3.33Å; L281-T284 PolarHBondContact O-OG1 3.08Å; I282-T284 PolarHBondContact O-N 3.19Å; T284-I286 PolarHBondContact O-N 3.06Å; T284-I286 WeakPolarHBondContact OG1-CG1 3.37Å
285N78.3Confident90.2Very high96 Ų9645.8 Ų45.851%0.51324%0.236SC..  trans51.653.7-178.9-168.349.9000111.9K283 E287K283-N285 VanDerWaalsContact C-N 3.29Å; K283-N285 PolarHBondContact O-N 3.06Å; N285-E287 PolarHBondContact O-N 3.15Å; N285-E287 VanDerWaalsContact O-N 3.14Å
286I84.7Confident90.1Very high31 Ų3148.9 Ų48.916%0.15925%0.253CS..  trans-59.4117.7177.4-63.6166.7000109.3P223 P258 M277 L281 T284 L288 I289P223-I286 HydrophobicContact CG-CB 4.41Å; P223-I286 HydrophobicContact CG-CG2 4.21Å; P258-I286 HydrophobicContact CG-CD1 3.83Å; M277-I286 HydrophobicContact SD-CD1 3.71Å; L281-I286 HydrophobicContact CB-CD1 3.74Å; L281-I286 HydrophobicContact CD1-CD1 4.17Å; L281-I286 HydrophobicContact CD2-CD1 4.35Å; L281-I286 HydrophobicContact CG-CD1 4.32Å; T284-I286 PolarHBondContact O-N 3.06Å; T284-I286 WeakPolarHBondContact OG1-CG1 3.37Å; I286-L288 VanDerWaalsContact CG2-O 3.25Å; I286-L288 WeakPolarHBondContact CG2-O 3.19Å; I286-I289 HydrophobicContact CG2-CG1 3.99Å
287E89.8Confident89.7Confident149 Ų14955.6 Ų55.670%0.69629%0.286SS*.  trans-87.7-24.7179.1-59.7-170.7158.900112.2V222 N285V222-E287 WeakPolarHBondContact CG2-O 3.44Å; N285-E287 PolarHBondContact O-N 3.15Å; N285-E287 VanDerWaalsContact O-N 3.14Å
288L95.1Very high88.8Confident61 Ų6164.2 Ų64.232%0.31933%0.332SS..  trans-150.2134.6-176.6-165.870.2000110.5V206 A220 V222 I286 E290V206-L288 HydrophobicContact CB-CD1 4.32Å; V206-L288 HydrophobicContact CG2-CD1 4.04Å; A220-L288 HydrophobicContact CB-CD1 4.18Å; A220-L288 HydrophobicContact CB-CG 4.41Å; V222-L288 HydrophobicContact CG2-CD1 4.46Å; I286-L288 VanDerWaalsContact CG2-O 3.25Å; I286-L288 WeakPolarHBondContact CG2-O 3.19Å; L288-E290 HydrophobicContact CD2-CG 3.82Å; L288-E290 HydrophobicContact CG-CG 4.09Å
289I96.4Very high88.6Confident0 Ų066.2 Ų66.20%034%0.341CS..EExtended strand (participates in β ladder)trans-105.1132.1164.9-70.9172.1000107.7A220 F221 P223 N257 L261 M277 I286 I291A220-I289 CarbonylContact C-O 3.12Å; A220-I289 WeakPolarHBondContact CA-O 3.22Å; F221-I289 HydrophobicContact CD1-CB 4.28Å; F221-I289 HydrophobicContact CD1-CG2 4.21Å; F221-I289 HydrophobicContact CD2-CB 4.45Å; F221-I289 HydrophobicContact CE1-CB 3.88Å; F221-I289 HydrophobicContact CE1-CG2 3.48Å; F221-I289 VanDerWaalsContact CE1-CG2 3.48Å; F221-I289 HydrophobicContact CE2-CB 4.08Å; F221-I289 HydrophobicContact CE2-CD1 3.71Å; F221-I289 HydrophobicContact CE2-CG1 4.41Å; F221-I289 HydrophobicContact CE2-CG2 4.4Å; F221-I289 HydrophobicContact CZ-CB 3.77Å; F221-I289 HydrophobicContact CZ-CD1 3.71Å; F221-I289 HydrophobicContact CZ-CG1 4.33Å; F221-I289 HydrophobicContact CZ-CG2 3.59Å; F221-I289 PolarHBondContact N-O 2.78Å; F221-I289 PolarHBondContact O-N 2.87Å; P223-I289 HydrophobicContact CB-CD1 4.1Å; P223-I289 HydrophobicContact CG-CD1 4.19Å; P223-I289 HydrophobicContact CG-CG1 4.45Å; N257-I289 CarbonylContact O-C 2.86Å; N257-I289 VanDerWaalsContact O-CA 3.32Å; N257-I289 WeakPolarHBondContact O-CA 3.35Å; L261-I289 HydrophobicContact CD1-CG2 3.53Å; M277-I289 HydrophobicContact SD-CD1 4.06Å; I286-I289 HydrophobicContact CG2-CG1 3.99Å; I289-I291 HydrophobicContact CG2-CD1 4.28Å; I289-I291 HydrophobicContact CG2-CG1 4.15Å
290E98.4Very high88.6Confident52 Ų5269.3 Ų69.324%0.24336%0.356CS..EExtended strand (participates in β ladder)trans-122.5133.2174.5-50.7176.379.100110.2Y218 Y219 A220 F256 N257 L288Y218-E290 HydrophobicContact CE2-CB 4.19Å; Y218-E290 WeakPolarHBondContact CE2-OE1 3.46Å; Y218-E290 PolarHBondContact OH-OE1 3.21Å; Y219-E290 CarbonylContact O-C 3.43Å; Y219-E290 WeakPolarHBondContact O-CA 3.37Å; A220-E290 HydrophobicContact CB-CG 4.11Å; F256-E290 WeakPolarHBondContact CA-O 3.39Å; N257-E290 HydrophobicContact CB-CB 4.05Å; N257-E290 HydrophobicContact CB-CG 4.35Å; N257-E290 PolarHBondContact N-O 3.48Å; N257-E290 PolarHBondContact ND2-OE2 3.03Å; N257-E290 PolarHBondContact O-N 3.19Å; L288-E290 HydrophobicContact CD2-CG 3.82Å; L288-E290 HydrophobicContact CG-CG 4.09Å
291I98.7Very high88.7Confident0 Ų068.1 Ų68.10%035%0.345CS..EExtended strand (participates in β ladder)trans-125.8120-179.1-64.8163.8000107.5F217 Y218 Y219 F221 A238 I240 F256 V275 I289 I293F217-I291 HydrophobicContact CE1-CG2 4.26Å; Y218-I291 WeakPolarHBondContact CA-O 3.46Å; Y219-I291 HydrophobicContact CD1-CD1 4.41Å; Y219-I291 PolarHBondContact N-O 3.21Å; Y219-I291 PolarHBondContact O-N 2.8Å; F221-I291 HydrophobicContact CE1-CD1 3.91Å; A238-I291 HydrophobicContact CB-CD1 4.16Å; I240-I291 HydrophobicContact CD1-CD1 4.05Å; I240-I291 HydrophobicContact CD1-CG2 3.86Å; F256-I291 HydrophobicContact CD1-CB 4.31Å; F256-I291 HydrophobicContact CD1-CG1 3.93Å; F256-I291 HydrophobicContact CD1-CG2 4.2Å; F256-I291 HydrophobicContact CE1-CB 4.4Å; F256-I291 HydrophobicContact CE1-CG1 4.12Å; F256-I291 HydrophobicContact CE1-CG2 3.83Å; V275-I291 HydrophobicContact CB-CD1 4.24Å; V275-I291 HydrophobicContact CG1-CD1 4.01Å; V275-I291 HydrophobicContact CG1-CG1 4.47Å; V275-I291 HydrophobicContact CG2-CD1 4.06Å; I289-I291 HydrophobicContact CG2-CD1 4.28Å; I289-I291 HydrophobicContact CG2-CG1 4.15Å; I291-I293 HydrophobicContact CG2-CD1 4.48Å; I291-I293 HydrophobicContact CG2-CG1 4.15Å
292T98.7Very high88.9Confident29 Ų2971.4 Ų71.418%0.17836%0.361CS..EExtended strand (participates in β ladder)trans-115.4129.6170-49.30000109.4V216 F217 T254 R255 I294V216-T292 HydrophobicContact CG1-CG2 4.22Å; F217-T292 CarbonylContact O-C 3.59Å; F217-T292 VanDerWaalsContact O-CA 3.25Å; F217-T292 WeakPolarHBondContact O-CA 3.24Å; F217-T292 WeakPolarHBondContact O-CG2 3.21Å; T254-T292 CarbonylContact C-O 3.58Å; T254-T292 VanDerWaalsContact CA-O 3.29Å; T254-T292 WeakPolarHBondContact CA-O 3.36Å; R255-T292 PolarHBondContact N-O 2.97Å; R255-T292 PolarHBondContact O-N 3.48Å; T292-I294 HydrophobicContact CG2-CD1 4.2Å; T292-I294 HydrophobicContact CG2-CG1 3.87Å
293I98.5Very high89.8Confident1 Ų174.6 Ų74.61%0.00538%0.377CS..EExtended strand (participates in β ladder)trans-117.2126.7173.7-55.9174000107.6T196 F217 I240 V242 Y248 V252 T254 I273 I291T196-I293 HydrophobicContact CG2-CD1 4.33Å; F217-I293 HydrophobicContact CB-CB 4.17Å; F217-I293 HydrophobicContact CD1-CB 4.09Å; F217-I293 HydrophobicContact CD1-CD1 3.83Å; F217-I293 HydrophobicContact CD1-CG1 3.88Å; F217-I293 HydrophobicContact CE1-CD1 4.16Å; F217-I293 PolarHBondContact N-O 3.35Å; F217-I293 PolarHBondContact O-N 3.15Å; I240-I293 HydrophobicContact CD1-CD1 4.28Å; I240-I293 HydrophobicContact CG2-CD1 4.1Å; V242-I293 HydrophobicContact CG2-CD1 3.99Å; Y248-I293 HydrophobicContact CD1-CG2 4.44Å; Y248-I293 HydrophobicContact CE1-CG2 3.86Å; V252-I293 HydrophobicContact CB-CG2 3.79Å; V252-I293 HydrophobicContact CG1-CG2 3.66Å; T254-I293 HydrophobicContact CG2-CG1 4.37Å; I273-I293 HydrophobicContact CD1-CD1 4.41Å; I291-I293 HydrophobicContact CG2-CD1 4.48Å; I291-I293 HydrophobicContact CG2-CG1 4.15Å
294I98.1Very high91.1Very high37 Ų3767.5 Ų67.519%0.1935%0.35CS..EExtended strand (participates in β ladder)trans-124.9135.4-174-53.2173.8000107.8V216 V252 K253 R255 T292V216-I294 HydrophobicContact CG2-CG2 4.31Å; V252-I294 WeakPolarHBondContact CA-O 3.39Å; K253-I294 HydrophobicContact CB-CB 4.49Å; K253-I294 PolarHBondContact N-O 3.48Å; K253-I294 PolarHBondContact O-N 3.09Å; R255-I294 HydrophobicContact CG-CD1 4.41Å; T292-I294 HydrophobicContact CG2-CD1 4.2Å; T292-I294 HydrophobicContact CG2-CG1 3.87Å
295P97.5Very high92.2Very high28 Ų2866.1 Ų66.118%0.18234%0.337CS..EExtended strand (participates in β ladder)trans-61.6138.8171.5-21.533.7000112.5S214 H247 Y248S214-P295 WeakPolarHBondContact O-CD 3.48Å; S214-P295 VanDerWaalsContact O-CG 3.28Å; S214-P295 WeakPolarHBondContact O-CG 3.25Å; H247-P295 WeakPolarHBondContact O-CG 3.34Å; Y248-P295 HydrophobicContact CD1-CB 3.96Å; Y248-P295 HydrophobicContact CD1-CG 3.66Å; Y248-P295 HydrophobicContact CE1-CB 4.42Å; Y248-P295 HydrophobicContact CE1-CG 3.66Å
296N96.2Very high93.3Very high66 Ų6663.8 Ų63.835%0.35332%0.324SS..PPolyproline II helixtrans-65.7136.5166.8-73.7-22.6000109.6H250 G251 V252 K253H250-N296 HydrophobicContact CB-CB 4.29Å; H250-N296 WeakPolarHBondContact O-CB 3.25Å; H250-N296 PolarHBondContact O-ND2 3.3Å; G251-N296 PolarHBondContact O-N 3.01Å; V252-N296 PolarHBondContact N-ND2 2.78Å; K253-N296 PolarHBondContact N-OD1 3.19Å
297Q86.8Confident94Very high189 Ų18966.6 Ų66.688%0.88334%0.337SS*.PPolyproline II helixtrans-79.1147.7171.6-64.4-169.4-20.100109.8
298N73.9Confident94.4Very high187 Ų18759.1 Ų59.1100%131%0.305SS*.  trans-66.60166.9-85.5-16.9000112.1H250H250-N298 PolarHBondContact CD2-OD1 2.85Å; H250-N298 PolarHBondContact CE1-ND2 2.93Å; H250-N298 PolarHBondContact CE1-OD1 2.81Å; H250-N298 PolarHBondContact ND1-OD1 3.01Å; H250-N298 PolarHBondContact NE2-ND2 3.46Å; H250-N298 PolarHBondContact NE2-OD1 3.45Å

Retrieved 298 of 298 residues in 283.6 ms (Link to these results)

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