A0A096NJH8_PAPAN Loading...

SEC14 like lipid binding 2

AlphaFold DB (A0A5K1TYH6), UniProt , Accession A0A096NJH8, Species PAPAN (Papio anubis, Olive baboon), Gene SEC14L2, Length 403 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
1M87.1Confident96.3Very high133 Ų13372.9 Ų72.966%0.65542%0.422SS*.  0120.40-52-51-77.400108.5G3 D7 L8M1-G3 VanDerWaalsContact C-N 3.31Å; M1-G3 PolarHBondContact O-N 2.87Å; M1-D7 VanDerWaalsContact CA-OD1 3.31Å; M1-D7 WeakPolarHBondContact CA-OD1 3.47Å; M1-D7 WeakPolarHBondContact CB-O 3.39Å; M1-D7 VanDerWaalsContact CE-C 3.47Å; M1-D7 HydrophobicContact CE-CB 4.48Å; M1-D7 WeakPolarHBondContact CE-OD1 3.33Å; M1-L8 WeakPolarHBondContact CE-O 3.2Å
2S94.8Very high96.5Very high53 Ų5369.3 Ų69.337%0.37140%0.398SS..  trans-79-8.2-172.263.10000114.5R4 D7S2-R4 VanDerWaalsContact C-N 3.33Å; S2-D7 WeakPolarHBondContact CB-OD2 3.17Å; S2-D7 PolarHBondContact N-O 2.96Å; S2-D7 PolarHBondContact N-OD2 3.07Å; S2-D7 PolarHBondContact OG-OD2 2.92Å
3G96.7Very high96.7Very high0 Ų073.9 Ų73.90%041%0.411CS..SBendtrans75.224.2-175.800000113.1M1 D7 R43M1-G3 VanDerWaalsContact C-N 3.31Å; M1-G3 PolarHBondContact O-N 2.87Å; G3-D7 PolarHBondContact N-O 2.54Å; G3-R43 WeakPolarHBondContact O-CD 3.5Å; G3-R43 PolarHBondContact O-NH1 2.74Å
4R97.6Very high96.8Very high91 Ų9176.1 Ų76.134%0.34342%0.416SS..BIsolated β-bridgetrans-110.4157.7173.8-72.3176.5167.871.17.1110.4S2 G6 D7 L8 E184S2-R4 VanDerWaalsContact C-N 3.33Å; R4-G6 PolarHBondContact O-N 3.36Å; R4-D7 CarbonylContact O-C 3.57Å; R4-D7 WeakPolarHBondContact O-CA 3.18Å; R4-D7 PolarHBondContact O-N 3.18Å; R4-L8 VanDerWaalsContact O-CD2 3.3Å; R4-L8 WeakPolarHBondContact O-CD2 3.39Å; R4-L8 WeakPolarHBondContact O-CG 3.48Å; R4-L8 PolarHBondContact O-N 3.44Å; R4-E184 IonicContact NH2-OE2 3.92Å
5V96.9Very high96.9Very high53 Ų5372 Ų7232%0.32140%0.397SS..THydrogen-bonded Turntrans-54135.1175.4-1790000109.6D7 D35 Y36 L39V5-D7 PolarHBondContact O-N 2.82Å; V5-D35 HydrophobicContact CG2-CB 3.82Å; V5-Y36 HydrophobicContact CB-CD1 4.04Å; V5-Y36 HydrophobicContact CB-CE1 3.47Å; V5-Y36 VanDerWaalsContact CB-CE1 3.47Å; V5-Y36 HydrophobicContact CB-CE2 4.4Å; V5-Y36 HydrophobicContact CG1-CE1 4.17Å; V5-Y36 HydrophobicContact CG1-CE2 4.43Å; V5-Y36 HydrophobicContact CG2-CD1 3.55Å; V5-Y36 HydrophobicContact CG2-CD2 4.06Å; V5-Y36 HydrophobicContact CG2-CE1 3.48Å; V5-Y36 VanDerWaalsContact CG2-CE1 3.48Å; V5-Y36 HydrophobicContact CG2-CE2 3.99Å; V5-Y36 HydrophobicContact CG2-CG 3.85Å; V5-L39 HydrophobicContact CG2-CD1 3.73Å
6G96.4Very high97Very high85 Ų8568.1 Ų68.188%0.87638%0.375SS*.THydrogen-bonded Turntrans83.6-16.7-17300000115R4R4-G6 PolarHBondContact O-N 3.36Å
7D97.6Very high97.1Very high56 Ų5667.8 Ų67.830%0.29938%0.383SS..BIsolated β-bridgetrans-135.949.5-177.6-175.230.7000111.4M1 S2 G3 R4 V5M1-D7 VanDerWaalsContact CA-OD1 3.31Å; M1-D7 WeakPolarHBondContact CA-OD1 3.47Å; M1-D7 WeakPolarHBondContact CB-O 3.39Å; M1-D7 VanDerWaalsContact CE-C 3.47Å; M1-D7 HydrophobicContact CE-CB 4.48Å; M1-D7 WeakPolarHBondContact CE-OD1 3.33Å; S2-D7 WeakPolarHBondContact CB-OD2 3.17Å; S2-D7 PolarHBondContact N-O 2.96Å; S2-D7 PolarHBondContact N-OD2 3.07Å; S2-D7 PolarHBondContact OG-OD2 2.92Å; G3-D7 PolarHBondContact N-O 2.54Å; R4-D7 CarbonylContact O-C 3.57Å; R4-D7 WeakPolarHBondContact O-CA 3.18Å; R4-D7 PolarHBondContact O-N 3.18Å; V5-D7 PolarHBondContact O-N 2.82Å
8L97.9Very high97.2Very high18 Ų1869.1 Ų69.19%0.09438%0.384CS..  trans-101132.4173.9-59.1-178.2000111.6M1 R4 Q12 K13 L16 L39M1-L8 WeakPolarHBondContact CE-O 3.2Å; R4-L8 VanDerWaalsContact O-CD2 3.3Å; R4-L8 WeakPolarHBondContact O-CD2 3.39Å; R4-L8 WeakPolarHBondContact O-CG 3.48Å; R4-L8 PolarHBondContact O-N 3.44Å; L8-Q12 HydrophobicContact CB-CB 4.21Å; L8-Q12 HydrophobicContact CD2-CB 4.2Å; L8-K13 HydrophobicContact CB-CD 4.42Å; L8-K13 HydrophobicContact CB-CG 3.56Å; L8-K13 HydrophobicContact CD1-CG 3.91Å; L8-K13 HydrophobicContact CG-CG 4.39Å; L8-L16 HydrophobicContact CD1-CD2 3.97Å; L8-L39 HydrophobicContact CD1-CD1 4.24Å; L8-L39 HydrophobicContact CD1-CD2 4.46Å; L8-L39 HydrophobicContact CD2-CD1 4.02Å; L8-L39 HydrophobicContact CD2-CD2 3.84Å
9S98.3Very high97.3Very high29 Ų2965.5 Ų65.520%0.20336%0.364CS..  trans-68.3161.916676.90000111.3K11 Q12 K13S9-K11 VanDerWaalsContact C-N 3.27Å; S9-K11 PolarHBondContact O-N 3.18Å; S9-Q12 PolarHBondContact O-N 3.11Å; S9-Q12 WeakPolarHBondContact OG-CG 3.39Å; S9-Q12 PolarHBondContact OG-N 3.44Å; S9-Q12 PolarHBondContact OG-OE1 2.53Å; S9-K13 PolarHBondContact O-N 3.01Å
10P98.4Very high97.3Very high113 Ų11366 Ų6673%0.73436%0.36SS*.Hα-helixtrans-52.9-43.3175.1-27.935.8000113.2Q12 K13 E14P10-Q12 VanDerWaalsContact C-N 3.34Å; P10-Q12 PolarHBondContact O-N 3.15Å; P10-K13 PolarHBondContact O-N 3.13Å; P10-E14 PolarHBondContact O-N 3.2Å
11K98Very high97.4Very high171 Ų17168.9 Ų68.974%0.74337%0.371SS*.Hα-helixtrans-62.4-39176.4-68.6-172.4176.3-175.50112.7S9 A15S9-K11 VanDerWaalsContact C-N 3.27Å; S9-K11 PolarHBondContact O-N 3.18Å; K11-A15 WeakPolarHBondContact O-CB 3.32Å; K11-A15 PolarHBondContact O-N 3.45Å
12Q98.4Very high97.9Very high29 Ų2965.8 Ų65.814%0.13636%0.357CS..Hα-helixtrans-70.7-37178.6-72170.8-3800112.1L8 S9 P10 A15 L16 F47L8-Q12 HydrophobicContact CB-CB 4.21Å; L8-Q12 HydrophobicContact CD2-CB 4.2Å; S9-Q12 PolarHBondContact O-N 3.11Å; S9-Q12 WeakPolarHBondContact OG-CG 3.39Å; S9-Q12 PolarHBondContact OG-N 3.44Å; S9-Q12 PolarHBondContact OG-OE1 2.53Å; P10-Q12 VanDerWaalsContact C-N 3.34Å; P10-Q12 PolarHBondContact O-N 3.15Å; Q12-A15 PolarHBondContact O-N 2.67Å; Q12-L16 WeakPolarHBondContact O-CB 3.27Å; Q12-L16 PolarHBondContact O-N 3.42Å; Q12-F47 HydrophobicContact CB-CD1 4.17Å; Q12-F47 HydrophobicContact CB-CE1 3.66Å; Q12-F47 HydrophobicContact CB-CZ 4.05Å; Q12-F47 HydrophobicContact CG-CD1 3.92Å; Q12-F47 HydrophobicContact CG-CD2 4.27Å; Q12-F47 HydrophobicContact CG-CE1 3.62Å; Q12-F47 HydrophobicContact CG-CE2 4.01Å; Q12-F47 HydrophobicContact CG-CG 4.24Å; Q12-F47 HydrophobicContact CG-CZ 3.68Å; Q12-F47 VanDerWaalsContact NE2-CE2 3.34Å
13K98.4Very high98.1Very high130 Ų13063.2 Ų63.257%0.56534%0.34SS*.Hα-helixtrans-63.2-44.9173.6-68.3-176.8-179.1-176.70111.3L8 S9 P10 L16 A17L8-K13 HydrophobicContact CB-CD 4.42Å; L8-K13 HydrophobicContact CB-CG 3.56Å; L8-K13 HydrophobicContact CD1-CG 3.91Å; L8-K13 HydrophobicContact CG-CG 4.39Å; S9-K13 PolarHBondContact O-N 3.01Å; P10-K13 PolarHBondContact O-N 3.13Å; K13-L16 PolarHBondContact O-N 3.16Å; K13-A17 PolarHBondContact O-N 3.5Å
14E98.4Very high98.1Very high104 Ų10469.3 Ų69.349%0.48637%0.368SS..Hα-helixtrans-62.2-45.6175.8-171.3-170.5166.400111.5P10 L16 A17 K18P10-E14 PolarHBondContact O-N 3.2Å; E14-L16 VanDerWaalsContact C-N 3.34Å; E14-L16 PolarHBondContact O-N 2.54Å; E14-A17 PolarHBondContact O-N 2.65Å; E14-K18 HydrophobicContact CG-CD 4.28Å; E14-K18 WeakPolarHBondContact O-CG 3.16Å; E14-K18 PolarHBondContact O-N 3.03Å; E14-K18 WeakPolarHBondContact OE1-CE 3.33Å; E14-K18 IonicContact OE1-NZ 3.6Å; E14-K18 PolarHBondContact OE1-NZ 2.8Å
15A98.6Very high98.2Very high15 Ų1569.6 Ų69.612%0.12438%0.376CS..Hα-helixtrans-61.1-41.3176.600000111.9K11 Q12 F19 F47 L49K11-A15 WeakPolarHBondContact O-CB 3.32Å; K11-A15 PolarHBondContact O-N 3.45Å; Q12-A15 PolarHBondContact O-N 2.67Å; A15-F19 WeakPolarHBondContact O-CB 3.33Å; A15-F19 PolarHBondContact O-N 3.37Å; A15-F47 HydrophobicContact CB-CD1 4.07Å; A15-L49 HydrophobicContact CB-CD2 4.18Å; A15-L49 WeakPolarHBondContact O-CD2 3.39Å
16L98.8Very high98.2Very high9 Ų968 Ų685%0.04737%0.366CS..Hα-helixtrans-62.4-44175.817660.9000112.2L8 Q12 K13 E14 F19 R20 D35 L38 L39 L42L8-L16 HydrophobicContact CD1-CD2 3.97Å; Q12-L16 WeakPolarHBondContact O-CB 3.27Å; Q12-L16 PolarHBondContact O-N 3.42Å; K13-L16 PolarHBondContact O-N 3.16Å; E14-L16 VanDerWaalsContact C-N 3.34Å; E14-L16 PolarHBondContact O-N 2.54Å; L16-F19 PolarHBondContact O-N 2.95Å; L16-R20 WeakPolarHBondContact O-CB 3.17Å; L16-R20 PolarHBondContact O-N 2.88Å; L16-D35 HydrophobicContact CD2-CB 4.07Å; L16-L38 HydrophobicContact CD1-CB 3.72Å; L16-L38 HydrophobicContact CD1-CD1 4.18Å; L16-L39 HydrophobicContact CB-CD2 4.41Å; L16-L39 HydrophobicContact CD1-CD2 4.19Å; L16-L39 HydrophobicContact CD1-CG 4.08Å; L16-L39 HydrophobicContact CD2-CD1 4.19Å; L16-L39 HydrophobicContact CD2-CD2 4.11Å; L16-L39 HydrophobicContact CD2-CG 4.07Å; L16-L39 HydrophobicContact CG-CD2 4.48Å; L16-L42 HydrophobicContact CB-CD1 4.19Å; L16-L42 HydrophobicContact CD1-CD1 3.88Å
17A98.5Very high98.2Very high63 Ų6365 Ų6552%0.52133%0.331SS..Hα-helixtrans-62.2-49.8177.900000111.5K13 E14 F19 R20 E21K13-A17 PolarHBondContact O-N 3.5Å; E14-A17 PolarHBondContact O-N 2.65Å; A17-F19 VanDerWaalsContact C-N 3.33Å; A17-F19 PolarHBondContact O-N 2.94Å; A17-R20 PolarHBondContact O-N 3.42Å; A17-E21 PolarHBondContact O-N 3.22Å; A17-E21 VanDerWaalsContact O-N 3.11Å
18K98.6Very high98.2Very high92 Ų9268 Ų6840%0.435%0.353SS..Hα-helixtrans-60.3-42.9175.8-73.9175.9170.8172.70112E14 R20 E21 N22 L49E14-K18 HydrophobicContact CG-CD 4.28Å; E14-K18 WeakPolarHBondContact O-CG 3.16Å; E14-K18 PolarHBondContact O-N 3.03Å; E14-K18 WeakPolarHBondContact OE1-CE 3.33Å; E14-K18 IonicContact OE1-NZ 3.6Å; E14-K18 PolarHBondContact OE1-NZ 2.8Å; K18-R20 PolarHBondContact O-N 3.08Å; K18-E21 PolarHBondContact O-N 3.17Å; K18-N22 VanDerWaalsContact O-CG 3.29Å; K18-N22 PolarHBondContact O-N 2.97Å; K18-N22 PolarHBondContact O-OD1 3.36Å; K18-L49 HydrophobicContact CB-CD1 4.14Å; K18-L49 HydrophobicContact CD-CD1 4.47Å
19F98.8Very high98.1Very high0 Ų070 Ų700%037%0.372CS..Hα-helixtrans-61.2-45.5178.4-174.8-120.3000111.6A15 L16 A17 E21 N22 V23 L38 W41 L42 L49 E53 L56A15-F19 WeakPolarHBondContact O-CB 3.33Å; A15-F19 PolarHBondContact O-N 3.37Å; L16-F19 PolarHBondContact O-N 2.95Å; A17-F19 VanDerWaalsContact C-N 3.33Å; A17-F19 PolarHBondContact O-N 2.94Å; F19-E21 VanDerWaalsContact C-N 3.3Å; F19-E21 PolarHBondContact O-N 3.38Å; F19-N22 PolarHBondContact O-N 3.05Å; F19-V23 HydrophobicContact CD2-CG1 4.2Å; F19-V23 HydrophobicContact CE2-CG1 3.75Å; F19-V23 HydrophobicContact CZ-CG1 4.03Å; F19-V23 VanDerWaalsContact O-CG2 3.31Å; F19-V23 WeakPolarHBondContact O-CG2 3.39Å; F19-V23 PolarHBondContact O-N 2.95Å; F19-V23 VanDerWaalsContact O-N 3.13Å; F19-L38 HydrophobicContact CD1-CB 4.15Å; F19-L38 HydrophobicContact CD1-CD2 4.29Å; F19-L38 HydrophobicContact CE1-CB 4.24Å; F19-L38 HydrophobicContact CE1-CD2 3.94Å; F19-W41 HydrophobicContact CE1-CB 4.27Å; F19-W41 HydrophobicContact CZ-CB 4.22Å; F19-L42 HydrophobicContact CB-CD1 4.14Å; F19-L42 HydrophobicContact CB-CD2 4.03Å; F19-L42 HydrophobicContact CB-CG 4.44Å; F19-L42 HydrophobicContact CD1-CD1 3.87Å; F19-L42 HydrophobicContact CD1-CD2 4.1Å; F19-L42 HydrophobicContact CD1-CG 3.82Å; F19-L42 HydrophobicContact CD2-CD2 4.19Å; F19-L42 HydrophobicContact CE1-CG 4.25Å; F19-L42 HydrophobicContact CG-CD1 4.2Å; F19-L42 HydrophobicContact CG-CD2 3.84Å; F19-L42 HydrophobicContact CG-CG 4.09Å; F19-L49 HydrophobicContact CB-CD2 3.83Å; F19-L49 HydrophobicContact CD2-CD2 4.37Å; F19-L49 HydrophobicContact CG-CD2 4.5Å; F19-E53 HydrophobicContact CE2-CB 3.93Å; F19-L56 HydrophobicContact CE1-CD2 4.19Å; F19-L56 HydrophobicContact CZ-CB 4.33Å; F19-L56 HydrophobicContact CZ-CD2 3.91Å
20R98.7Very high97.9Very high76 Ų7669.2 Ų69.229%0.28737%0.365SS..Hα-helixtrans-59.3-40.5176.8-176.8178-71.1-72.92111.9L16 A17 K18 Q24 L27 P33 D35 L38L16-R20 WeakPolarHBondContact O-CB 3.17Å; L16-R20 PolarHBondContact O-N 2.88Å; A17-R20 PolarHBondContact O-N 3.42Å; K18-R20 PolarHBondContact O-N 3.08Å; R20-Q24 PolarHBondContact O-N 3.34Å; R20-L27 HydrophobicContact CG-CD1 4.11Å; R20-P33 PolarHBondContact NH1-O 2.96Å; R20-P33 PolarHBondContact NH2-O 2.78Å; R20-D35 IonicContact CZ-OD1 2.67Å; R20-D35 IonicContact NE-OD1 2.72Å; R20-D35 IonicContact NH2-OD1 3.65Å; R20-D35 PolarHBondContact NH2-OD1 3.02Å; R20-L38 HydrophobicContact CB-CD1 3.76Å; R20-L38 HydrophobicContact CG-CD1 3.95Å
21E98.4Very high97.5Very high126 Ų12667.2 Ų67.259%0.58935%0.352SS*.Hα-helixtrans-64.8-45.1175.2-175.7178.3-17700112A17 K18 F19 V23 Q24A17-E21 PolarHBondContact O-N 3.22Å; A17-E21 VanDerWaalsContact O-N 3.11Å; K18-E21 PolarHBondContact O-N 3.17Å; F19-E21 VanDerWaalsContact C-N 3.3Å; F19-E21 PolarHBondContact O-N 3.38Å; E21-V23 VanDerWaalsContact C-N 3.29Å; E21-V23 PolarHBondContact O-N 3.11Å; E21-Q24 WeakPolarHBondContact O-CB 3.48Å; E21-Q24 VanDerWaalsContact O-CG 3.23Å; E21-Q24 WeakPolarHBondContact O-CG 3.48Å; E21-Q24 PolarHBondContact O-N 3.27Å; E21-Q24 PolarHBondContact O-NE2 3.15Å
22N98.4Very high97.2Very high68 Ų6864 Ų6436%0.36434%0.344SS..Hα-helixtrans-62.3-34.2-179.7-72.28.7000113.5K18 F19 E53 R57K18-N22 VanDerWaalsContact O-CG 3.29Å; K18-N22 PolarHBondContact O-N 2.97Å; K18-N22 PolarHBondContact O-OD1 3.36Å; F19-N22 PolarHBondContact O-N 3.05Å; N22-E53 PolarHBondContact ND2-OE2 2.94Å; N22-R57 PolarHBondContact O-NH2 2.86Å; N22-R57 VanDerWaalsContact O-NH2 3.11Å
23V98.4Very high97Very high0 Ų064.4 Ų64.40%035%0.348CS..THydrogen-bonded Turntrans-102.811.2-175.1-52.70000113.1F19 E21 D25 V26 L27 L38 E53 L56F19-V23 HydrophobicContact CD2-CG1 4.2Å; F19-V23 HydrophobicContact CE2-CG1 3.75Å; F19-V23 HydrophobicContact CZ-CG1 4.03Å; F19-V23 VanDerWaalsContact O-CG2 3.31Å; F19-V23 WeakPolarHBondContact O-CG2 3.39Å; F19-V23 PolarHBondContact O-N 2.95Å; F19-V23 VanDerWaalsContact O-N 3.13Å; E21-V23 VanDerWaalsContact C-N 3.29Å; E21-V23 PolarHBondContact O-N 3.11Å; V23-D25 PolarHBondContact O-N 3.23Å; V23-D25 VanDerWaalsContact O-N 3.07Å; V23-V26 HydrophobicContact CB-CG2 3.91Å; V23-V26 WeakPolarHBondContact O-CG2 3.32Å; V23-V26 PolarHBondContact O-N 2.9Å; V23-L27 HydrophobicContact CG2-CD2 3.71Å; V23-L27 HydrophobicContact CG2-CG 4.19Å; V23-L27 WeakPolarHBondContact O-CG 3.33Å; V23-L27 PolarHBondContact O-N 3.28Å; V23-L38 HydrophobicContact CG2-CD2 4.26Å; V23-E53 HydrophobicContact CG1-CB 4.28Å; V23-E53 HydrophobicContact CG1-CG 3.92Å; V23-L56 HydrophobicContact CB-CD2 4.12Å; V23-L56 HydrophobicContact CG1-CD2 4.15Å; V23-L56 HydrophobicContact CG2-CD2 3.97Å
24Q97.5Very high96.9Very high127 Ų12759.9 Ų59.959%0.59333%0.33SS*.THydrogen-bonded Turntrans-55-30-175.470.2-174.9-67.200113.4R20 E21 V26 P28R20-Q24 PolarHBondContact O-N 3.34Å; E21-Q24 WeakPolarHBondContact O-CB 3.48Å; E21-Q24 VanDerWaalsContact O-CG 3.23Å; E21-Q24 WeakPolarHBondContact O-CG 3.48Å; E21-Q24 PolarHBondContact O-N 3.27Å; E21-Q24 PolarHBondContact O-NE2 3.15Å; Q24-V26 VanDerWaalsContact C-N 3.34Å; Q24-V26 PolarHBondContact O-N 2.9Å; Q24-P28 WeakPolarHBondContact O-CD 3.46Å
25D98.2Very high96.9Very high98 Ų9858.1 Ų58.152%0.52432%0.324SS..THydrogen-bonded Turntrans-70.3-27.3-179.663.9-57.7000113.2V23 R57V23-D25 PolarHBondContact O-N 3.23Å; V23-D25 VanDerWaalsContact O-N 3.07Å; D25-R57 IonicContact OD1-CZ 3.15Å; D25-R57 IonicContact OD1-NH1 2.67Å; D25-R57 PolarHBondContact OD1-NH1 3.4Å; D25-R57 IonicContact OD1-NH2 3.34Å; D25-R57 PolarHBondContact OD1-NH2 2.88Å; D25-R57 IonicContact OD2-CZ 2.69Å; D25-R57 IonicContact OD2-NH1 3.14Å; D25-R57 PolarHBondContact OD2-NH1 2.8Å; D25-R57 IonicContact OD2-NH2 3.54Å; D25-R57 PolarHBondContact OD2-NH2 2.89Å
26V97.9Very high96.9Very high18 Ų1861 Ų6111%0.10933%0.332CS..THydrogen-bonded Turntrans-100.7-14.3-179.5-62.30000114V23 Q24 P28 A29 V60V23-V26 HydrophobicContact CB-CG2 3.91Å; V23-V26 WeakPolarHBondContact O-CG2 3.32Å; V23-V26 PolarHBondContact O-N 2.9Å; Q24-V26 VanDerWaalsContact C-N 3.34Å; Q24-V26 PolarHBondContact O-N 2.9Å; V26-P28 VanDerWaalsContact C-CD 3.41Å; V26-A29 PolarHBondContact O-N 2.83Å; V26-V60 HydrophobicContact CB-CG1 4.45Å; V26-V60 HydrophobicContact CB-CG2 4Å; V26-V60 HydrophobicContact CG1-CG1 4.49Å; V26-V60 HydrophobicContact CG2-CG2 4.25Å
27L97.1Very high96.9Very high24 Ų2461.4 Ų61.413%0.12633%0.334CS..G310 helixtrans-57.5-38179.6-62.1-171.9000114.9R20 V23 A29 L30 P33 L38R20-L27 HydrophobicContact CG-CD1 4.11Å; V23-L27 HydrophobicContact CG2-CD2 3.71Å; V23-L27 HydrophobicContact CG2-CG 4.19Å; V23-L27 WeakPolarHBondContact O-CG 3.33Å; V23-L27 PolarHBondContact O-N 3.28Å; L27-A29 PolarHBondContact O-N 3.09Å; L27-A29 VanDerWaalsContact O-N 3.12Å; L27-L30 HydrophobicContact CD2-CD1 4.23Å; L27-L30 PolarHBondContact O-N 2.85Å; L27-P33 HydrophobicContact CB-CB 4.47Å; L27-P33 HydrophobicContact CB-CG 4.36Å; L27-P33 HydrophobicContact CD2-CB 3.93Å; L27-L38 HydrophobicContact CD2-CD2 4Å
28P97.2Very high96.9Very high118 Ų11858.4 Ų58.477%0.76631%0.309SS*.G310 helixtrans-61.3-21.3-179.7-25.936.1000114.4Q24 V26Q24-P28 WeakPolarHBondContact O-CD 3.46Å; V26-P28 VanDerWaalsContact C-CD 3.41Å
29A94.5Very high96.9Very high59 Ų5954 Ų5449%0.48829%0.29SS..G310 helixtrans-89.1-1.8179.100000113.5V26 L27V26-A29 PolarHBondContact O-N 2.83Å; L27-A29 PolarHBondContact O-N 3.09Å; L27-A29 VanDerWaalsContact O-N 3.12Å
30L94.9Very high96.9Very high13 Ų1354.8 Ų54.87%0.06829%0.293CS..SBendtrans-106.5138.1-174.2-69166.8000111.3L27 N32 P33 F37 L56 V60L27-L30 HydrophobicContact CD2-CD1 4.23Å; L27-L30 PolarHBondContact O-N 2.85Å; L30-N32 PolarHBondContact O-N 3.29Å; L30-P33 HydrophobicContact CB-CB 4.37Å; L30-P33 WeakPolarHBondContact O-CD 3.24Å; L30-F37 HydrophobicContact CD1-CE1 3.72Å; L30-F37 HydrophobicContact CD1-CZ 3.89Å; L30-F37 HydrophobicContact CD2-CZ 3.96Å; L30-F37 HydrophobicContact CG-CZ 4.39Å; L30-L56 HydrophobicContact CD1-CD1 3.97Å; L30-V60 HydrophobicContact CD1-CG2 4.21Å; L30-V60 HydrophobicContact CD2-CG2 4.04Å; L30-V60 HydrophobicContact CG-CG2 4.27Å
31P89.3Confident96.9Very high71 Ų7151.2 Ų51.246%0.46128%0.279SS..SBendtrans-74.1123.7172.830.5-33.6000109.9
32N92.2Very high96.9Very high105 Ų10545.2 Ų45.256%0.56125%0.251SS*.  trans50.565.7175.6-174.749.8000114.4L30 D34L30-N32 PolarHBondContact O-N 3.29Å; N32-D34 PolarHBondContact ND2-OD2 2.92Å; N32-D34 PolarHBondContact O-N 2.9Å
33P94.5Very high96.9Very high36 Ų3643 Ų4323%0.23424%0.238CC..  trans-76.854.3177.733.6-35.6000112.4R20 L27 L30 F37R20-P33 PolarHBondContact NH1-O 2.96Å; R20-P33 PolarHBondContact NH2-O 2.78Å; L27-P33 HydrophobicContact CB-CB 4.47Å; L27-P33 HydrophobicContact CB-CG 4.36Å; L27-P33 HydrophobicContact CD2-CB 3.93Å; L30-P33 HydrophobicContact CB-CB 4.37Å; L30-P33 WeakPolarHBondContact O-CD 3.24Å; P33-F37 HydrophobicContact CB-CD1 4.43Å
34D96.8Very high96.9Very high36 Ų3644.2 Ų44.219%0.19325%0.248CC..  trans-68.8173.1175.566.613.8000111.9N32 Y36 F37 L38 K145N32-D34 PolarHBondContact ND2-OD2 2.92Å; N32-D34 PolarHBondContact O-N 2.9Å; D34-Y36 HydrophobicContact CB-CD2 4.41Å; D34-Y36 PolarHBondContact O-N 2.93Å; D34-Y36 VanDerWaalsContact OD1-CB 3.31Å; D34-Y36 WeakPolarHBondContact OD1-CB 3.46Å; D34-Y36 PolarHBondContact OD1-N 3.24Å; D34-Y36 WeakPolarHBondContact OD2-CD2 3.44Å; D34-F37 PolarHBondContact O-N 3.25Å; D34-F37 WeakPolarHBondContact OD1-CB 3.44Å; D34-F37 PolarHBondContact OD1-N 3.44Å; D34-L38 PolarHBondContact O-N 2.88Å; D34-K145 IonicContact OD1-NZ 2.64Å; D34-K145 IonicContact OD2-NZ 3.16Å; D34-K145 PolarHBondContact OD2-NZ 3.41Å
35D98.4Very high96.9Very high66 Ų6642.6 Ų42.635%0.35324%0.236SC..Hα-helixtrans-58.6-34.8178.4-78.1-2.2000111.8V5 L16 R20 L38 L39V5-D35 HydrophobicContact CG2-CB 3.82Å; L16-D35 HydrophobicContact CD2-CB 4.07Å; R20-D35 IonicContact CZ-OD1 2.67Å; R20-D35 IonicContact NE-OD1 2.72Å; R20-D35 IonicContact NH2-OD1 3.65Å; R20-D35 PolarHBondContact NH2-OD1 3.02Å; D35-L38 PolarHBondContact O-N 2.92Å; D35-L39 HydrophobicContact CB-CD1 4.49Å; D35-L39 VanDerWaalsContact O-CB 3.23Å; D35-L39 WeakPolarHBondContact O-CB 3.3Å; D35-L39 WeakPolarHBondContact O-CD1 3.22Å; D35-L39 WeakPolarHBondContact O-CG 3.45Å; D35-L39 PolarHBondContact O-N 3.07Å
36Y98.1Very high96.9Very high75 Ų7543.2 Ų43.229%0.29425%0.248SC..Hα-helixtrans-62-47.8178.2-58.1-88.5000111.2V5 D34 L39 R40 K145 E147V5-Y36 HydrophobicContact CB-CD1 4.04Å; V5-Y36 HydrophobicContact CB-CE1 3.47Å; V5-Y36 VanDerWaalsContact CB-CE1 3.47Å; V5-Y36 HydrophobicContact CB-CE2 4.4Å; V5-Y36 HydrophobicContact CG1-CE1 4.17Å; V5-Y36 HydrophobicContact CG1-CE2 4.43Å; V5-Y36 HydrophobicContact CG2-CD1 3.55Å; V5-Y36 HydrophobicContact CG2-CD2 4.06Å; V5-Y36 HydrophobicContact CG2-CE1 3.48Å; V5-Y36 VanDerWaalsContact CG2-CE1 3.48Å; V5-Y36 HydrophobicContact CG2-CE2 3.99Å; V5-Y36 HydrophobicContact CG2-CG 3.85Å; D34-Y36 HydrophobicContact CB-CD2 4.41Å; D34-Y36 PolarHBondContact O-N 2.93Å; D34-Y36 VanDerWaalsContact OD1-CB 3.31Å; D34-Y36 WeakPolarHBondContact OD1-CB 3.46Å; D34-Y36 PolarHBondContact OD1-N 3.24Å; D34-Y36 WeakPolarHBondContact OD2-CD2 3.44Å; Y36-L39 PolarHBondContact O-N 3.29Å; Y36-R40 PolarHBondContact O-N 2.89Å; Y36-K145 VanDerWaalsContact CB-CE 3.48Å; Y36-K145 HydrophobicContact CD1-CB 4.13Å; Y36-K145 HydrophobicContact CD1-CD 3.8Å; Y36-K145 HydrophobicContact CD1-CG 3.51Å; Y36-K145 HydrophobicContact CD2-CD 3.87Å; Y36-K145 HydrophobicContact CD2-CG 4.48Å; Y36-K145 HydrophobicContact CE1-CB 3.66Å; Y36-K145 HydrophobicContact CE1-CD 3.99Å; Y36-K145 HydrophobicContact CE1-CG 3.59Å; Y36-K145 HydrophobicContact CE2-CD 4.09Å; Y36-K145 HydrophobicContact CG-CD 3.72Å; Y36-K145 VanDerWaalsContact CG-CE 3.5Å; Y36-K145 HydrophobicContact CG-CG 3.98Å; Y36-E147 WeakPolarHBondContact CB-OE2 2.92Å
37F98.3Very high96.9Very high18 Ų1844.3 Ų44.38%0.07925%0.251CS..Hα-helixtrans-56.5-52.6175.7176.2-88.4000111.2L30 P33 D34 L39 R40 W41 L56L30-F37 HydrophobicContact CD1-CE1 3.72Å; L30-F37 HydrophobicContact CD1-CZ 3.89Å; L30-F37 HydrophobicContact CD2-CZ 3.96Å; L30-F37 HydrophobicContact CG-CZ 4.39Å; P33-F37 HydrophobicContact CB-CD1 4.43Å; D34-F37 PolarHBondContact O-N 3.25Å; D34-F37 WeakPolarHBondContact OD1-CB 3.44Å; D34-F37 PolarHBondContact OD1-N 3.44Å; F37-L39 VanDerWaalsContact C-N 3.34Å; F37-L39 PolarHBondContact O-N 3.09Å; F37-R40 VanDerWaalsContact CD2-NH2 3.34Å; F37-R40 PolarHBondContact O-N 3.18Å; F37-W41 AromaticContact CD1-NE1 3.69Å; F37-W41 AromaticContact CE1-CD1 3.92Å; F37-W41 AromaticContact CE1-NE1 3.18Å; F37-W41 HydrophobicContact CE2-CZ2 4.12Å; F37-W41 AromaticContact CE2-NE1 3.74Å; F37-W41 AromaticContact CZ-CE2 3.77Å; F37-W41 AromaticContact CZ-CZ2 3.8Å; F37-W41 HydrophobicContact CZ-CZ2 3.8Å; F37-W41 AromaticContact CZ-NE1 3.21Å; F37-W41 PolarHBondContact O-NE1 2.85Å; F37-L56 HydrophobicContact CE1-CD1 3.75Å; F37-L56 HydrophobicContact CE1-CD2 4.5Å; F37-L56 HydrophobicContact CZ-CD1 3.79Å
38L98.6Very high96.9Very high0 Ų045.5 Ų45.50%026%0.258CS..Hα-helixtrans-63.8-38.8-178.7-66.4-173.6000112.8L16 F19 R20 V23 L27 D34 D35 R40 W41 L42 L56L16-L38 HydrophobicContact CD1-CB 3.72Å; L16-L38 HydrophobicContact CD1-CD1 4.18Å; F19-L38 HydrophobicContact CD1-CB 4.15Å; F19-L38 HydrophobicContact CD1-CD2 4.29Å; F19-L38 HydrophobicContact CE1-CB 4.24Å; F19-L38 HydrophobicContact CE1-CD2 3.94Å; R20-L38 HydrophobicContact CB-CD1 3.76Å; R20-L38 HydrophobicContact CG-CD1 3.95Å; V23-L38 HydrophobicContact CG2-CD2 4.26Å; L27-L38 HydrophobicContact CD2-CD2 4Å; D34-L38 PolarHBondContact O-N 2.88Å; D35-L38 PolarHBondContact O-N 2.92Å; L38-R40 VanDerWaalsContact C-N 3.26Å; L38-R40 PolarHBondContact O-N 3.42Å; L38-W41 PolarHBondContact O-N 2.9Å; L38-L42 PolarHBondContact O-N 3.34Å; L38-L56 HydrophobicContact CD2-CD2 4.18Å
39L98.7Very high97Very high0 Ų042.2 Ų42.20%023%0.234CC..Hα-helixtrans-66.7-24.2-179.8-75.1167.5000113.1V5 L8 L16 D35 Y36 F37 L42 R43 F47V5-L39 HydrophobicContact CG2-CD1 3.73Å; L8-L39 HydrophobicContact CD1-CD1 4.24Å; L8-L39 HydrophobicContact CD1-CD2 4.46Å; L8-L39 HydrophobicContact CD2-CD1 4.02Å; L8-L39 HydrophobicContact CD2-CD2 3.84Å; L16-L39 HydrophobicContact CB-CD2 4.41Å; L16-L39 HydrophobicContact CD1-CD2 4.19Å; L16-L39 HydrophobicContact CD1-CG 4.08Å; L16-L39 HydrophobicContact CD2-CD1 4.19Å; L16-L39 HydrophobicContact CD2-CD2 4.11Å; L16-L39 HydrophobicContact CD2-CG 4.07Å; L16-L39 HydrophobicContact CG-CD2 4.48Å; D35-L39 HydrophobicContact CB-CD1 4.49Å; D35-L39 VanDerWaalsContact O-CB 3.23Å; D35-L39 WeakPolarHBondContact O-CB 3.3Å; D35-L39 WeakPolarHBondContact O-CD1 3.22Å; D35-L39 WeakPolarHBondContact O-CG 3.45Å; D35-L39 PolarHBondContact O-N 3.07Å; Y36-L39 PolarHBondContact O-N 3.29Å; F37-L39 VanDerWaalsContact C-N 3.34Å; F37-L39 PolarHBondContact O-N 3.09Å; L39-L42 HydrophobicContact CD2-CD1 4.09Å; L39-L42 PolarHBondContact O-N 2.87Å; L39-R43 WeakPolarHBondContact O-CB 3.45Å; L39-R43 VanDerWaalsContact O-CG 3.32Å; L39-R43 WeakPolarHBondContact O-CG 3.43Å; L39-R43 PolarHBondContact O-N 2.86Å; L39-F47 HydrophobicContact CD2-CE1 3.81Å; L39-F47 HydrophobicContact CD2-CZ 3.97Å
40R98.4Very high97.2Very high17 Ų1747 Ų476%0.06425%0.246CC..Hα-helixtrans-61.7-45.6173-69-170.4-57.7121.8-0.2111.5Y36 F37 L38 R43 A44 P183 E184 T185Y36-R40 PolarHBondContact O-N 2.89Å; F37-R40 VanDerWaalsContact CD2-NH2 3.34Å; F37-R40 PolarHBondContact O-N 3.18Å; L38-R40 VanDerWaalsContact C-N 3.26Å; L38-R40 PolarHBondContact O-N 3.42Å; R40-R43 PolarHBondContact O-N 3.45Å; R40-A44 VanDerWaalsContact O-CB 3.28Å; R40-A44 WeakPolarHBondContact O-CB 3.45Å; R40-A44 PolarHBondContact O-N 3.27Å; R40-P183 PolarHBondContact NH1-O 3.38Å; R40-P183 VanDerWaalsContact NH1-O 3.1Å; R40-E184 HydrophobicContact CB-CB 4.01Å; R40-E184 HydrophobicContact CG-CB 3.97Å; R40-E184 WeakPolarHBondContact O-CG 3.31Å; R40-T185 PolarHBondContact NH1-OG1 3.01Å
41W98.7Very high97.4Very high0 Ų052.1 Ų52.10%027%0.268CS..Hα-helixtrans-65.5-43.4178.1-50.996.2000111.6F19 F37 L38 A44 R45 S52 M55 L56 H59 P183F19-W41 HydrophobicContact CE1-CB 4.27Å; F19-W41 HydrophobicContact CZ-CB 4.22Å; F37-W41 AromaticContact CD1-NE1 3.69Å; F37-W41 AromaticContact CE1-CD1 3.92Å; F37-W41 AromaticContact CE1-NE1 3.18Å; F37-W41 HydrophobicContact CE2-CZ2 4.12Å; F37-W41 AromaticContact CE2-NE1 3.74Å; F37-W41 AromaticContact CZ-CE2 3.77Å; F37-W41 AromaticContact CZ-CZ2 3.8Å; F37-W41 HydrophobicContact CZ-CZ2 3.8Å; F37-W41 AromaticContact CZ-NE1 3.21Å; F37-W41 PolarHBondContact O-NE1 2.85Å; L38-W41 PolarHBondContact O-N 2.9Å; W41-A44 PolarHBondContact O-N 2.94Å; W41-R45 PolarHBondContact O-N 3.49Å; W41-S52 PolarHBondContact O-OG 3.43Å; W41-M55 HydrophobicContact CE3-CB 4.35Å; W41-M55 HydrophobicContact CE3-CE 4.34Å; W41-M55 HydrophobicContact CE3-CG 3.79Å; W41-M55 HydrophobicContact CE3-SD 3.98Å; W41-M55 HydrophobicContact CZ3-CE 4.18Å; W41-M55 HydrophobicContact CZ3-CG 3.91Å; W41-M55 HydrophobicContact CZ3-SD 4.33Å; W41-L56 HydrophobicContact CD2-CB 4.14Å; W41-L56 HydrophobicContact CD2-CD1 3.97Å; W41-L56 HydrophobicContact CE3-CB 4.3Å; W41-L56 HydrophobicContact CG-CB 4.29Å; W41-L56 HydrophobicContact CG-CD1 4.36Å; W41-L56 HydrophobicContact CH2-CD1 4.5Å; W41-L56 HydrophobicContact CZ2-CD1 3.86Å; W41-H59 HydrophobicContact CH2-CB 3.37Å; W41-H59 AromaticContact CH2-CD2 3.47Å; W41-H59 VanDerWaalsContact CH2-CD2 3.47Å; W41-H59 WeakPolarHBondContact CH2-CD2 3.2Å; W41-H59 AromaticContact CH2-CG 3.27Å; W41-H59 AromaticContact CH2-ND1 3.83Å; W41-H59 HydrophobicContact CZ2-CB 4.15Å; W41-H59 AromaticContact CZ2-CD2 3.45Å; W41-H59 VanDerWaalsContact CZ2-CD2 3.45Å; W41-H59 WeakPolarHBondContact CZ2-CD2 3.24Å; W41-H59 AromaticContact CZ2-CG 3.78Å; W41-H59 AromaticContact CZ2-NE2 3.98Å; W41-H59 HydrophobicContact CZ3-CB 3.79Å; W41-P183 HydrophobicContact CD2-CG 4.07Å; W41-P183 HydrophobicContact CE3-CG 3.67Å; W41-P183 HydrophobicContact CH2-CG 4.05Å; W41-P183 HydrophobicContact CZ2-CG 4.46Å; W41-P183 HydrophobicContact CZ3-CG 3.66Å
42L98.7Very high97.8Very high0 Ų048.7 Ų48.70%025%0.246CC..Hα-helixtrans-61.6-50.1176.3-72.6166.7000111.7L16 F19 L38 L39 A44 R45 S46 F47 L49L16-L42 HydrophobicContact CB-CD1 4.19Å; L16-L42 HydrophobicContact CD1-CD1 3.88Å; F19-L42 HydrophobicContact CB-CD1 4.14Å; F19-L42 HydrophobicContact CB-CD2 4.03Å; F19-L42 HydrophobicContact CB-CG 4.44Å; F19-L42 HydrophobicContact CD1-CD1 3.87Å; F19-L42 HydrophobicContact CD1-CD2 4.1Å; F19-L42 HydrophobicContact CD1-CG 3.82Å; F19-L42 HydrophobicContact CD2-CD2 4.19Å; F19-L42 HydrophobicContact CE1-CG 4.25Å; F19-L42 HydrophobicContact CG-CD1 4.2Å; F19-L42 HydrophobicContact CG-CD2 3.84Å; F19-L42 HydrophobicContact CG-CG 4.09Å; L38-L42 PolarHBondContact O-N 3.34Å; L39-L42 HydrophobicContact CD2-CD1 4.09Å; L39-L42 PolarHBondContact O-N 2.87Å; L42-A44 VanDerWaalsContact C-N 3.33Å; L42-A44 PolarHBondContact O-N 3.07Å; L42-R45 CarbonylContact O-C 3.54Å; L42-R45 PolarHBondContact O-N 2.98Å; L42-R45 VanDerWaalsContact O-N 3.16Å; L42-S46 PolarHBondContact O-N 2.94Å; L42-F47 HydrophobicContact CB-CD1 3.88Å; L42-F47 HydrophobicContact CB-CE1 3.96Å; L42-F47 HydrophobicContact CB-CG 4.25Å; L42-F47 HydrophobicContact CB-CZ 4.4Å; L42-F47 HydrophobicContact CD1-CD1 4.26Å; L42-F47 HydrophobicContact CD1-CE1 4.21Å; L42-F47 HydrophobicContact CD2-CD1 4.32Å; L42-F47 HydrophobicContact CG-CD1 4.39Å; L42-F47 PolarHBondContact O-N 3.23Å; L42-L49 HydrophobicContact CD2-CD2 3.97Å
43R98.4Very high98.1Very high23 Ų2345.7 Ų45.79%0.08723%0.228CC..Hα-helixtrans-60.2-43178.3-74.4-166.6-54.6-92.26.4111.8G3 L39 R40 R45 S46 F47 E147 E184G3-R43 WeakPolarHBondContact O-CD 3.5Å; G3-R43 PolarHBondContact O-NH1 2.74Å; L39-R43 WeakPolarHBondContact O-CB 3.45Å; L39-R43 VanDerWaalsContact O-CG 3.32Å; L39-R43 WeakPolarHBondContact O-CG 3.43Å; L39-R43 PolarHBondContact O-N 2.86Å; R40-R43 PolarHBondContact O-N 3.45Å; R43-R45 PolarHBondContact O-N 2.98Å; R43-S46 PolarHBondContact O-N 2.64Å; R43-F47 HydrophobicContact CG-CE2 3.96Å; R43-F47 HydrophobicContact CG-CZ 4.24Å; R43-E147 IonicContact CZ-OE1 2.6Å; R43-E147 IonicContact NH2-OE1 2.78Å; R43-E147 PolarHBondContact NH2-OE1 2.89Å; R43-E184 HydrophobicContact CB-CG 3.83Å; R43-E184 IonicContact CZ-OE2 2.65Å; R43-E184 IonicContact NE-OE2 2.68Å; R43-E184 PolarHBondContact NE-OE2 3.11Å; R43-E184 IonicContact NH2-OE2 3.47Å
44A97.6Very high98.3Very high25 Ų2547 Ų4721%0.20724%0.242CC..Hα-helixtrans-61.8-18.6179.100000114.4R40 W41 L42 M55 P183 E184R40-A44 VanDerWaalsContact O-CB 3.28Å; R40-A44 WeakPolarHBondContact O-CB 3.45Å; R40-A44 PolarHBondContact O-N 3.27Å; W41-A44 PolarHBondContact O-N 2.94Å; L42-A44 VanDerWaalsContact C-N 3.33Å; L42-A44 PolarHBondContact O-N 3.07Å; A44-M55 HydrophobicContact CB-SD 4.29Å; A44-P183 HydrophobicContact CB-CB 3.55Å; A44-P183 HydrophobicContact CB-CG 4.47Å; A44-E184 HydrophobicContact CB-CG 4.38Å
45R98.1Very high98.4Very high93 Ų9346 Ų4635%0.35124%0.236SC..THydrogen-bonded Turntrans-121.725.3175-61.3-63.8178.7-93.21.9112.5W41 L42 R43 F47 D48 K51 M55W41-R45 PolarHBondContact O-N 3.49Å; L42-R45 CarbonylContact O-C 3.54Å; L42-R45 PolarHBondContact O-N 2.98Å; L42-R45 VanDerWaalsContact O-N 3.16Å; R43-R45 PolarHBondContact O-N 2.98Å; R45-F47 PolarHBondContact O-N 2.69Å; R45-D48 HydrophobicContact CB-CB 4.49Å; R45-D48 WeakPolarHBondContact O-CB 3.47Å; R45-D48 PolarHBondContact O-N 3.21Å; R45-K51 HydrophobicContact CB-CB 4.01Å; R45-K51 HydrophobicContact CG-CB 3.96Å; R45-M55 HydrophobicContact CG-SD 4.25Å; R45-M55 PolarHBondContact NH2-SD 3.43Å
46S97.6Very high98.5Very high110 Ų11042.8 Ų42.877%0.76922%0.219SC*.THydrogen-bonded Turntrans52.838.1176-580000113.9L42 R43 D48L42-S46 PolarHBondContact O-N 2.94Å; R43-S46 PolarHBondContact O-N 2.64Å; S46-D48 PolarHBondContact O-N 3.03Å
47F98.3Very high98.5Very high41 Ų4143 Ų4318%0.1822%0.219CC..THydrogen-bonded Turntrans62.320.4-176.9-68.3-101.8000114.9Q12 A15 L39 L42 R43 R45 L49Q12-F47 HydrophobicContact CB-CD1 4.17Å; Q12-F47 HydrophobicContact CB-CE1 3.66Å; Q12-F47 HydrophobicContact CB-CZ 4.05Å; Q12-F47 HydrophobicContact CG-CD1 3.92Å; Q12-F47 HydrophobicContact CG-CD2 4.27Å; Q12-F47 HydrophobicContact CG-CE1 3.62Å; Q12-F47 HydrophobicContact CG-CE2 4.01Å; Q12-F47 HydrophobicContact CG-CG 4.24Å; Q12-F47 HydrophobicContact CG-CZ 3.68Å; Q12-F47 VanDerWaalsContact NE2-CE2 3.34Å; A15-F47 HydrophobicContact CB-CD1 4.07Å; L39-F47 HydrophobicContact CD2-CE1 3.81Å; L39-F47 HydrophobicContact CD2-CZ 3.97Å; L42-F47 HydrophobicContact CB-CD1 3.88Å; L42-F47 HydrophobicContact CB-CE1 3.96Å; L42-F47 HydrophobicContact CB-CG 4.25Å; L42-F47 HydrophobicContact CB-CZ 4.4Å; L42-F47 HydrophobicContact CD1-CD1 4.26Å; L42-F47 HydrophobicContact CD1-CE1 4.21Å; L42-F47 HydrophobicContact CD2-CD1 4.32Å; L42-F47 HydrophobicContact CG-CD1 4.39Å; L42-F47 PolarHBondContact O-N 3.23Å; R43-F47 HydrophobicContact CG-CE2 3.96Å; R43-F47 HydrophobicContact CG-CZ 4.24Å; R45-F47 PolarHBondContact O-N 2.69Å; F47-L49 PolarHBondContact O-N 3.38Å
48D98.6Very high98.5Very high50 Ų5047.4 Ų47.427%0.26724%0.238SC..  trans-71.9107.3167.7-176.3-47.2000109.6R45 S46 Q50 K51 S52R45-D48 HydrophobicContact CB-CB 4.49Å; R45-D48 WeakPolarHBondContact O-CB 3.47Å; R45-D48 PolarHBondContact O-N 3.21Å; S46-D48 PolarHBondContact O-N 3.03Å; D48-Q50 PolarHBondContact O-N 3.08Å; D48-Q50 PolarHBondContact OD1-N 3.49Å; D48-K51 HydrophobicContact CB-CB 4.21Å; D48-K51 HydrophobicContact CB-CD 4.34Å; D48-K51 HydrophobicContact CB-CG 4.49Å; D48-K51 PolarHBondContact O-N 3.37Å; D48-K51 WeakPolarHBondContact OD1-CG 3.06Å; D48-K51 PolarHBondContact OD1-N 3.2Å; D48-K51 WeakPolarHBondContact OD2-CD 3.26Å; D48-K51 WeakPolarHBondContact OD2-CE 3.08Å; D48-K51 IonicContact OD2-NZ 2.88Å; D48-K51 PolarHBondContact OD2-NZ 3.23Å; D48-S52 VanDerWaalsContact O-CB 3.26Å; D48-S52 WeakPolarHBondContact O-CB 3.46Å; D48-S52 PolarHBondContact O-N 3.05Å; D48-S52 PolarHBondContact O-OG 3.47Å
49L98.7Very high98.5Very high48 Ų4847.6 Ų47.625%0.25124%0.239SC..Hα-helixtrans-59.5-46-173.1-64.9179.1000112.5A15 K18 F19 L42 F47 S52 E53A15-L49 HydrophobicContact CB-CD2 4.18Å; A15-L49 WeakPolarHBondContact O-CD2 3.39Å; K18-L49 HydrophobicContact CB-CD1 4.14Å; K18-L49 HydrophobicContact CD-CD1 4.47Å; F19-L49 HydrophobicContact CB-CD2 3.83Å; F19-L49 HydrophobicContact CD2-CD2 4.37Å; F19-L49 HydrophobicContact CG-CD2 4.5Å; L42-L49 HydrophobicContact CD2-CD2 3.97Å; F47-L49 PolarHBondContact O-N 3.38Å; L49-S52 PolarHBondContact O-N 3.14Å; L49-E53 VanDerWaalsContact O-CB 3.29Å; L49-E53 WeakPolarHBondContact O-CB 3.32Å; L49-E53 PolarHBondContact O-N 3.28Å
50Q98.6Very high98.5Very high159 Ų15949 Ų4974%0.74325%0.248SC*.Hα-helixtrans-66.2-45-175.9-172.6-178.210.900111.3D48 E53 A54D48-Q50 PolarHBondContact O-N 3.08Å; D48-Q50 PolarHBondContact OD1-N 3.49Å; Q50-E53 PolarHBondContact O-N 2.91Å; Q50-A54 WeakPolarHBondContact O-CB 3.33Å; Q50-A54 PolarHBondContact O-N 2.9Å
51K98.6Very high98.5Very high121 Ų12152.2 Ų52.253%0.52626%0.264SS..Hα-helixtrans-69.2-37.4178-67.9179.6-168.9131.40112.3R45 D48 E53 M55R45-K51 HydrophobicContact CB-CB 4.01Å; R45-K51 HydrophobicContact CG-CB 3.96Å; D48-K51 HydrophobicContact CB-CB 4.21Å; D48-K51 HydrophobicContact CB-CD 4.34Å; D48-K51 HydrophobicContact CB-CG 4.49Å; D48-K51 PolarHBondContact O-N 3.37Å; D48-K51 WeakPolarHBondContact OD1-CG 3.06Å; D48-K51 PolarHBondContact OD1-N 3.2Å; D48-K51 WeakPolarHBondContact OD2-CD 3.26Å; D48-K51 WeakPolarHBondContact OD2-CE 3.08Å; D48-K51 IonicContact OD2-NZ 2.88Å; D48-K51 PolarHBondContact OD2-NZ 3.23Å; K51-E53 VanDerWaalsContact C-N 3.32Å; K51-M55 WeakPolarHBondContact O-CB 3.26Å; K51-M55 PolarHBondContact O-N 3.33Å
52S98.8Very high98.5Very high0 Ų053.2 Ų53.20%027%0.268CS..Hα-helixtrans-63.8-41.6176.7-55.40000110.9W41 D48 L49 M55 L56W41-S52 PolarHBondContact O-OG 3.43Å; D48-S52 VanDerWaalsContact O-CB 3.26Å; D48-S52 WeakPolarHBondContact O-CB 3.46Å; D48-S52 PolarHBondContact O-N 3.05Å; D48-S52 PolarHBondContact O-OG 3.47Å; L49-S52 PolarHBondContact O-N 3.14Å; S52-M55 PolarHBondContact O-N 3.21Å; S52-L56 PolarHBondContact O-N 3.2Å
53E98.8Very high98.4Very high42 Ų4254 Ų5420%0.19627%0.271CS..Hα-helixtrans-67.1-48.5178.9175.6168.9-179.900111.4F19 N22 V23 L49 Q50 K51 M55 L56 R57F19-E53 HydrophobicContact CE2-CB 3.93Å; N22-E53 PolarHBondContact ND2-OE2 2.94Å; V23-E53 HydrophobicContact CG1-CB 4.28Å; V23-E53 HydrophobicContact CG1-CG 3.92Å; L49-E53 VanDerWaalsContact O-CB 3.29Å; L49-E53 WeakPolarHBondContact O-CB 3.32Å; L49-E53 PolarHBondContact O-N 3.28Å; Q50-E53 PolarHBondContact O-N 2.91Å; K51-E53 VanDerWaalsContact C-N 3.32Å; E53-M55 PolarHBondContact O-N 2.73Å; E53-L56 PolarHBondContact O-N 2.78Å; E53-R57 HydrophobicContact CG-CG 4.33Å; E53-R57 WeakPolarHBondContact O-CB 3.34Å; E53-R57 WeakPolarHBondContact O-CG 3.42Å; E53-R57 PolarHBondContact O-N 3.04Å; E53-R57 IonicContact OE1-CZ 3.73Å; E53-R57 VanDerWaalsContact OE1-CZ 3.3Å; E53-R57 IonicContact OE1-NE 2.65Å; E53-R57 PolarHBondContact OE1-NE 2.64Å; E53-R57 IonicContact OE1-NH2 3.62Å; E53-R57 PolarHBondContact OE1-NH2 2.97Å
54A98.7Very high98.4Very high62 Ų6260.5 Ų60.551%0.51230%0.3SS..Hα-helixtrans-57.1-40.9176.100000111.8Q50 K58Q50-A54 WeakPolarHBondContact O-CB 3.33Å; Q50-A54 PolarHBondContact O-N 2.9Å; A54-K58 PolarHBondContact O-N 3.45Å
55M98.7Very high98.4Very high15 Ų1565.5 Ų65.57%0.07432%0.319CS..Hα-helixtrans-64.7-47.9176.7-170.4-178.8-17500112W41 A44 R45 K51 S52 E53 R57 K58 H59 E179 E180 P183W41-M55 HydrophobicContact CE3-CB 4.35Å; W41-M55 HydrophobicContact CE3-CE 4.34Å; W41-M55 HydrophobicContact CE3-CG 3.79Å; W41-M55 HydrophobicContact CE3-SD 3.98Å; W41-M55 HydrophobicContact CZ3-CE 4.18Å; W41-M55 HydrophobicContact CZ3-CG 3.91Å; W41-M55 HydrophobicContact CZ3-SD 4.33Å; A44-M55 HydrophobicContact CB-SD 4.29Å; R45-M55 HydrophobicContact CG-SD 4.25Å; R45-M55 PolarHBondContact NH2-SD 3.43Å; K51-M55 WeakPolarHBondContact O-CB 3.26Å; K51-M55 PolarHBondContact O-N 3.33Å; S52-M55 PolarHBondContact O-N 3.21Å; E53-M55 PolarHBondContact O-N 2.73Å; M55-R57 PolarHBondContact O-N 3.16Å; M55-K58 PolarHBondContact O-N 3.35Å; M55-H59 PolarHBondContact O-N 3.49Å; M55-E179 WeakPolarHBondContact CE-O 3.19Å; M55-E180 VanDerWaalsContact CE-O 3.29Å; M55-E180 WeakPolarHBondContact CE-O 3.24Å; M55-P183 HydrophobicContact CE-CB 3.8Å; M55-P183 HydrophobicContact CE-CG 3.82Å
56L98.8Very high98.4Very high0 Ų064.6 Ų64.60%032%0.318CS..Hα-helixtrans-64-41178.8176.858.1000111.9F19 V23 L30 F37 L38 W41 S52 E53 K58 H59 V60F19-L56 HydrophobicContact CE1-CD2 4.19Å; F19-L56 HydrophobicContact CZ-CB 4.33Å; F19-L56 HydrophobicContact CZ-CD2 3.91Å; V23-L56 HydrophobicContact CB-CD2 4.12Å; V23-L56 HydrophobicContact CG1-CD2 4.15Å; V23-L56 HydrophobicContact CG2-CD2 3.97Å; L30-L56 HydrophobicContact CD1-CD1 3.97Å; F37-L56 HydrophobicContact CE1-CD1 3.75Å; F37-L56 HydrophobicContact CE1-CD2 4.5Å; F37-L56 HydrophobicContact CZ-CD1 3.79Å; L38-L56 HydrophobicContact CD2-CD2 4.18Å; W41-L56 HydrophobicContact CD2-CB 4.14Å; W41-L56 HydrophobicContact CD2-CD1 3.97Å; W41-L56 HydrophobicContact CE3-CB 4.3Å; W41-L56 HydrophobicContact CG-CB 4.29Å; W41-L56 HydrophobicContact CG-CD1 4.36Å; W41-L56 HydrophobicContact CH2-CD1 4.5Å; W41-L56 HydrophobicContact CZ2-CD1 3.86Å; S52-L56 PolarHBondContact O-N 3.2Å; E53-L56 PolarHBondContact O-N 2.78Å; L56-K58 VanDerWaalsContact C-N 3.34Å; L56-K58 PolarHBondContact O-N 2.69Å; L56-H59 WeakPolarHBondContact O-CA 3.34Å; L56-H59 WeakPolarHBondContact O-CB 3.25Å; L56-H59 PolarHBondContact O-N 3.13Å; L56-H59 VanDerWaalsContact O-N 3.12Å; L56-V60 WeakPolarHBondContact O-CG2 3.45Å; L56-V60 PolarHBondContact O-N 2.9Å
57R98.6Very high98.4Very high80 Ų8062.5 Ų62.530%0.30230%0.297SS..Hα-helixtrans-64-38.8177.1-70.6-178.8-179.7-72.4-4.6111.8N22 D25 E53 M55 H59 V60 E61N22-R57 PolarHBondContact O-NH2 2.86Å; N22-R57 VanDerWaalsContact O-NH2 3.11Å; D25-R57 IonicContact OD1-CZ 3.15Å; D25-R57 IonicContact OD1-NH1 2.67Å; D25-R57 PolarHBondContact OD1-NH1 3.4Å; D25-R57 IonicContact OD1-NH2 3.34Å; D25-R57 PolarHBondContact OD1-NH2 2.88Å; D25-R57 IonicContact OD2-CZ 2.69Å; D25-R57 IonicContact OD2-NH1 3.14Å; D25-R57 PolarHBondContact OD2-NH1 2.8Å; D25-R57 IonicContact OD2-NH2 3.54Å; D25-R57 PolarHBondContact OD2-NH2 2.89Å; E53-R57 HydrophobicContact CG-CG 4.33Å; E53-R57 WeakPolarHBondContact O-CB 3.34Å; E53-R57 WeakPolarHBondContact O-CG 3.42Å; E53-R57 PolarHBondContact O-N 3.04Å; E53-R57 IonicContact OE1-CZ 3.73Å; E53-R57 VanDerWaalsContact OE1-CZ 3.3Å; E53-R57 IonicContact OE1-NE 2.65Å; E53-R57 PolarHBondContact OE1-NE 2.64Å; E53-R57 IonicContact OE1-NH2 3.62Å; E53-R57 PolarHBondContact OE1-NH2 2.97Å; M55-R57 PolarHBondContact O-N 3.16Å; R57-H59 VanDerWaalsContact C-N 3.3Å; R57-H59 PolarHBondContact O-N 2.92Å; R57-V60 PolarHBondContact O-N 3.45Å; R57-E61 PolarHBondContact O-N 3.26Å
58K98.6Very high98.4Very high110 Ų11060.7 Ų60.748%0.47829%0.29SS..Hα-helixtrans-61.5-40.1171.8-167.1-174.8-174.4-168.30111.4A54 M55 L56 E61 F62 E180A54-K58 PolarHBondContact O-N 3.45Å; M55-K58 PolarHBondContact O-N 3.35Å; L56-K58 VanDerWaalsContact C-N 3.34Å; L56-K58 PolarHBondContact O-N 2.69Å; K58-E61 PolarHBondContact O-N 2.83Å; K58-F62 WeakPolarHBondContact O-CB 3.39Å; K58-F62 PolarHBondContact O-N 2.76Å; K58-E180 IonicContact NZ-OE1 2.79Å; K58-E180 PolarHBondContact NZ-OE1 3.47Å; K58-E180 IonicContact NZ-OE2 3.98Å; K58-E180 PolarHBondContact NZ-OE2 3.3Å
59H98.6Very high98.3Very high4 Ų463.2 Ų63.22%0.01930%0.303CS..Hα-helixtrans-63.5-40.8175.317665000112.8W41 M55 L56 R57 E61 F62 R63 N181W41-H59 HydrophobicContact CH2-CB 3.37Å; W41-H59 AromaticContact CH2-CD2 3.47Å; W41-H59 VanDerWaalsContact CH2-CD2 3.47Å; W41-H59 WeakPolarHBondContact CH2-CD2 3.2Å; W41-H59 AromaticContact CH2-CG 3.27Å; W41-H59 AromaticContact CH2-ND1 3.83Å; W41-H59 HydrophobicContact CZ2-CB 4.15Å; W41-H59 AromaticContact CZ2-CD2 3.45Å; W41-H59 VanDerWaalsContact CZ2-CD2 3.45Å; W41-H59 WeakPolarHBondContact CZ2-CD2 3.24Å; W41-H59 AromaticContact CZ2-CG 3.78Å; W41-H59 AromaticContact CZ2-NE2 3.98Å; W41-H59 HydrophobicContact CZ3-CB 3.79Å; M55-H59 PolarHBondContact O-N 3.49Å; L56-H59 WeakPolarHBondContact O-CA 3.34Å; L56-H59 WeakPolarHBondContact O-CB 3.25Å; L56-H59 PolarHBondContact O-N 3.13Å; L56-H59 VanDerWaalsContact O-N 3.12Å; R57-H59 VanDerWaalsContact C-N 3.3Å; R57-H59 PolarHBondContact O-N 2.92Å; H59-E61 VanDerWaalsContact C-N 3.32Å; H59-E61 PolarHBondContact O-N 3.42Å; H59-F62 AromaticContact ND1-CD1 3.86Å; H59-F62 WeakPolarHBondContact O-CB 3.44Å; H59-F62 PolarHBondContact O-N 3.05Å; H59-R63 WeakPolarHBondContact NE2-CD 3.48Å; H59-R63 WeakPolarHBondContact O-CG 3.41Å; H59-R63 PolarHBondContact O-N 3.47Å; H59-N181 PolarHBondContact ND1-OD1 3.22Å
60V98.4Very high98.3Very high29 Ų2965.2 Ų65.218%0.17631%0.314CS..Hα-helixtrans-60.2-43.6176.3172.60000110.9V26 L30 L56 R57 R63 K64V26-V60 HydrophobicContact CB-CG1 4.45Å; V26-V60 HydrophobicContact CB-CG2 4Å; V26-V60 HydrophobicContact CG1-CG1 4.49Å; V26-V60 HydrophobicContact CG2-CG2 4.25Å; L30-V60 HydrophobicContact CD1-CG2 4.21Å; L30-V60 HydrophobicContact CD2-CG2 4.04Å; L30-V60 HydrophobicContact CG-CG2 4.27Å; L56-V60 WeakPolarHBondContact O-CG2 3.45Å; L56-V60 PolarHBondContact O-N 2.9Å; R57-V60 PolarHBondContact O-N 3.45Å; V60-R63 PolarHBondContact O-N 3.27Å; V60-K64 PolarHBondContact O-N 3.49Å
61E98.1Very high98.2Very high85 Ų8557.7 Ų57.740%0.39728%0.279SS..Hα-helixtrans-65.2-41.1174.8-177.857.9-157.200111.9R57 K58 H59 R63 K64 Q65R57-E61 PolarHBondContact O-N 3.26Å; K58-E61 PolarHBondContact O-N 2.83Å; H59-E61 VanDerWaalsContact C-N 3.32Å; H59-E61 PolarHBondContact O-N 3.42Å; E61-R63 VanDerWaalsContact C-N 3.33Å; E61-R63 PolarHBondContact O-N 3Å; E61-K64 PolarHBondContact O-N 3.38Å; E61-Q65 HydrophobicContact CG-CG 4.27Å; E61-Q65 WeakPolarHBondContact O-CG 3.37Å; E61-Q65 PolarHBondContact O-N 2.97Å; E61-Q65 VanDerWaalsContact OE1-CG 3.25Å; E61-Q65 WeakPolarHBondContact OE1-CG 3.41Å; E61-Q65 PolarHBondContact OE1-NE2 2.83Å
62F98.4Very high98.2Very high21 Ų2154.9 Ų54.99%0.09227%0.269CS..Hα-helixtrans-56.8-46.1173.2163.5-92.9000111.9K58 H59 K64 Q65 K66 I68 M125 M177 N181K58-F62 WeakPolarHBondContact O-CB 3.39Å; K58-F62 PolarHBondContact O-N 2.76Å; H59-F62 AromaticContact ND1-CD1 3.86Å; H59-F62 WeakPolarHBondContact O-CB 3.44Å; H59-F62 PolarHBondContact O-N 3.05Å; F62-K64 VanDerWaalsContact C-N 3.27Å; F62-K64 PolarHBondContact O-N 2.91Å; F62-Q65 PolarHBondContact O-N 3.34Å; F62-K66 HydrophobicContact CD2-CG 3.76Å; F62-K66 HydrophobicContact CE2-CB 4.34Å; F62-K66 HydrophobicContact CE2-CG 3.6Å; F62-K66 HydrophobicContact CG-CG 4.49Å; F62-K66 HydrophobicContact CZ-CB 4.47Å; F62-K66 HydrophobicContact CZ-CG 4.2Å; F62-K66 WeakPolarHBondContact O-CB 3.45Å; F62-K66 WeakPolarHBondContact O-CG 3.45Å; F62-K66 PolarHBondContact O-N 2.92Å; F62-I68 HydrophobicContact CD1-CG1 4.15Å; F62-I68 HydrophobicContact CE1-CD1 3.66Å; F62-I68 HydrophobicContact CE1-CG1 3.68Å; F62-I68 HydrophobicContact CZ-CD1 3.86Å; F62-I68 HydrophobicContact CZ-CG1 4.31Å; F62-M125 HydrophobicContact CE2-CE 3.88Å; F62-M125 HydrophobicContact CE2-CG 4.33Å; F62-M125 HydrophobicContact CE2-SD 3.81Å; F62-M125 HydrophobicContact CZ-CE 4.34Å; F62-M125 HydrophobicContact CZ-CG 3.84Å; F62-M125 HydrophobicContact CZ-SD 3.77Å; F62-M177 HydrophobicContact CE2-CG 3.75Å; F62-M177 HydrophobicContact CE2-SD 4.28Å; F62-M177 HydrophobicContact CZ-CG 4.04Å; F62-M177 HydrophobicContact CZ-SD 3.94Å; F62-N181 WeakPolarHBondContact CB-OD1 3.41Å; F62-N181 HydrophobicContact CD1-CB 4.1Å; F62-N181 VanDerWaalsContact CD1-CG 3.49Å; F62-N181 WeakPolarHBondContact CD1-OD1 3.29Å; F62-N181 HydrophobicContact CE1-CB 3.99Å; F62-N181 WeakPolarHBondContact CG-OD1 3.47Å; F62-N181 HydrophobicContact CZ-CB 4.43Å
63R98.4Very high98.1Very high16 Ų1659 Ų596%0.0630%0.298CS..Hα-helixtrans-56.5-44.6178.3-72-175.372.375.86.9111.5H59 V60 E61 D67 I68 D69 E129H59-R63 WeakPolarHBondContact NE2-CD 3.48Å; H59-R63 WeakPolarHBondContact O-CG 3.41Å; H59-R63 PolarHBondContact O-N 3.47Å; V60-R63 PolarHBondContact O-N 3.27Å; E61-R63 VanDerWaalsContact C-N 3.33Å; E61-R63 PolarHBondContact O-N 3Å; R63-D67 WeakPolarHBondContact O-CA 3.15Å; R63-D67 PolarHBondContact O-N 3.27Å; R63-I68 HydrophobicContact CB-CB 4.16Å; R63-I68 HydrophobicContact CB-CG1 4.31Å; R63-I68 HydrophobicContact CG-CB 4.16Å; R63-I68 HydrophobicContact CG-CG1 4.29Å; R63-I68 HydrophobicContact CG-CG2 4.41Å; R63-I68 VanDerWaalsContact NH1-CG2 3.31Å; R63-I68 PolarHBondContact O-N 2.99Å; R63-D69 IonicContact CZ-OD1 2.68Å; R63-D69 IonicContact NE-OD1 2.74Å; R63-D69 IonicContact NH2-OD1 3.61Å; R63-D69 PolarHBondContact NH2-OD1 3.49Å; R63-E129 IonicContact NH1-OE2 2.92Å
64K97.4Very high98.1Very high160 Ų16059.6 Ų59.670%0.69630%0.299SS*.Hα-helixtrans-65.2-51.3177.4-175.5-177.1177.6-1740112.1V60 E61 F62 K66 D67V60-K64 PolarHBondContact O-N 3.49Å; E61-K64 PolarHBondContact O-N 3.38Å; F62-K64 VanDerWaalsContact C-N 3.27Å; F62-K64 PolarHBondContact O-N 2.91Å; K64-K66 VanDerWaalsContact C-N 3.29Å; K64-K66 PolarHBondContact O-N 2.93Å; K64-D67 PolarHBondContact O-N 2.77Å
65Q97.2Very high98Very high129 Ų12962.1 Ų62.160%0.60330%0.3SS*.Hα-helixtrans-65.6-31.2-176.8-71.2-177.95.200113.4E61 F62E61-Q65 HydrophobicContact CG-CG 4.27Å; E61-Q65 WeakPolarHBondContact O-CG 3.37Å; E61-Q65 PolarHBondContact O-N 2.97Å; E61-Q65 VanDerWaalsContact OE1-CG 3.25Å; E61-Q65 WeakPolarHBondContact OE1-CG 3.41Å; E61-Q65 PolarHBondContact OE1-NE2 2.83Å; F62-Q65 PolarHBondContact O-N 3.34Å
66K97.7Very high98Very high75 Ų7561.9 Ų61.933%0.32630%0.3SS..Hα-helixtrans-99.40.5-178.3-58.5-54.6-178.5-171.50113.7F62 K64 I68 M125F62-K66 HydrophobicContact CD2-CG 3.76Å; F62-K66 HydrophobicContact CE2-CB 4.34Å; F62-K66 HydrophobicContact CE2-CG 3.6Å; F62-K66 HydrophobicContact CG-CG 4.49Å; F62-K66 HydrophobicContact CZ-CB 4.47Å; F62-K66 HydrophobicContact CZ-CG 4.2Å; F62-K66 WeakPolarHBondContact O-CB 3.45Å; F62-K66 WeakPolarHBondContact O-CG 3.45Å; F62-K66 PolarHBondContact O-N 2.92Å; K64-K66 VanDerWaalsContact C-N 3.29Å; K64-K66 PolarHBondContact O-N 2.93Å; K66-I68 VanDerWaalsContact C-N 3.28Å; K66-I68 HydrophobicContact CB-CD1 3.84Å; K66-I68 HydrophobicContact CB-CG1 4.02Å; K66-I68 PolarHBondContact O-N 3.17Å; K66-M125 HydrophobicContact CB-SD 4.08Å; K66-M125 HydrophobicContact CD-CE 4.35Å; K66-M125 HydrophobicContact CD-SD 4.16Å; K66-M125 HydrophobicContact CG-CE 4.35Å; K66-M125 HydrophobicContact CG-SD 3.84Å
67D97.9Very high98Very high65 Ų6564 Ų6435%0.34831%0.313SS..THydrogen-bonded Turntrans52.450.3-179.4-178.135.2000111R63 K64 D69 N70 I71 R122R63-D67 WeakPolarHBondContact O-CA 3.15Å; R63-D67 PolarHBondContact O-N 3.27Å; K64-D67 PolarHBondContact O-N 2.77Å; D67-D69 PolarHBondContact O-N 3.25Å; D67-N70 PolarHBondContact O-N 3.1Å; D67-N70 PolarHBondContact OD1-ND2 3.28Å; D67-I71 PolarHBondContact O-N 3.06Å; D67-R122 IonicContact OD2-NH2 2.73Å
68I98.5Very high98Very high3 Ų365.4 Ų65.42%0.01532%0.323CS..G310 helixtrans-64.2-30.4-175.1-64.2-62.9000111.3F62 R63 K66 N70 I71 M125 E129F62-I68 HydrophobicContact CD1-CG1 4.15Å; F62-I68 HydrophobicContact CE1-CD1 3.66Å; F62-I68 HydrophobicContact CE1-CG1 3.68Å; F62-I68 HydrophobicContact CZ-CD1 3.86Å; F62-I68 HydrophobicContact CZ-CG1 4.31Å; R63-I68 HydrophobicContact CB-CB 4.16Å; R63-I68 HydrophobicContact CB-CG1 4.31Å; R63-I68 HydrophobicContact CG-CB 4.16Å; R63-I68 HydrophobicContact CG-CG1 4.29Å; R63-I68 HydrophobicContact CG-CG2 4.41Å; R63-I68 VanDerWaalsContact NH1-CG2 3.31Å; R63-I68 PolarHBondContact O-N 2.99Å; K66-I68 VanDerWaalsContact C-N 3.28Å; K66-I68 HydrophobicContact CB-CD1 3.84Å; K66-I68 HydrophobicContact CB-CG1 4.02Å; K66-I68 PolarHBondContact O-N 3.17Å; I68-N70 PolarHBondContact O-N 3.13Å; I68-I71 HydrophobicContact CD1-CD1 3.8Å; I68-I71 HydrophobicContact CD1-CG2 4.46Å; I68-I71 HydrophobicContact CG2-CG2 4.42Å; I68-I71 VanDerWaalsContact O-CG2 3.25Å; I68-I71 WeakPolarHBondContact O-CG2 3.29Å; I68-I71 PolarHBondContact O-N 2.82Å; I68-M125 HydrophobicContact CD1-CB 4.18Å; I68-E129 HydrophobicContact CG2-CG 3.68Å; I68-E129 WeakPolarHBondContact CG2-OE1 2.88Å
69D96.8Very high98Very high104 Ų10460.4 Ų60.456%0.55630%0.302SS*.G310 helixtrans-61.2-29.5179-61.2-27.4000112.6R63 D67R63-D69 IonicContact CZ-OD1 2.68Å; R63-D69 IonicContact NE-OD1 2.74Å; R63-D69 IonicContact NH2-OD1 3.61Å; R63-D69 PolarHBondContact NH2-OD1 3.49Å; D67-D69 PolarHBondContact O-N 3.25Å
70N97.8Very high97.9Very high90 Ų9060.4 Ų60.448%0.48130%0.302SS..G310 helixtrans-108.4-1.9-179.9-59.5-63.4000113.7D67 I68 I72 S73 W74D67-N70 PolarHBondContact O-N 3.1Å; D67-N70 PolarHBondContact OD1-ND2 3.28Å; I68-N70 PolarHBondContact O-N 3.13Å; N70-I72 VanDerWaalsContact C-N 3.26Å; N70-I72 PolarHBondContact O-N 2.9Å; N70-I72 VanDerWaalsContact O-N 3.14Å; N70-S73 PolarHBondContact O-N 3.35Å; N70-S73 PolarHBondContact O-OG 3.28Å; N70-W74 PolarHBondContact O-N 3.17Å
71I98.4Very high97.9Very high0 Ų063.8 Ų63.80%032%0.316CS..THydrogen-bonded Turntrans-64.3-26.4-167.1-158.5169.7000114.2D67 I68 S73 W74 R122 M125 R126 E129D67-I71 PolarHBondContact O-N 3.06Å; I68-I71 HydrophobicContact CD1-CD1 3.8Å; I68-I71 HydrophobicContact CD1-CG2 4.46Å; I68-I71 HydrophobicContact CG2-CG2 4.42Å; I68-I71 VanDerWaalsContact O-CG2 3.25Å; I68-I71 WeakPolarHBondContact O-CG2 3.29Å; I68-I71 PolarHBondContact O-N 2.82Å; I71-S73 VanDerWaalsContact C-N 3.25Å; I71-S73 PolarHBondContact O-N 2.93Å; I71-W74 WeakPolarHBondContact O-CB 3.43Å; I71-W74 PolarHBondContact O-N 3.21Å; I71-R122 HydrophobicContact CD1-CG 3.83Å; I71-R122 HydrophobicContact CG1-CG 4.28Å; I71-M125 HydrophobicContact CD1-CB 3.66Å; I71-R126 HydrophobicContact CD1-CB 4.28Å; I71-R126 HydrophobicContact CG1-CB 4Å; I71-R126 HydrophobicContact CG1-CG 4.5Å; I71-R126 VanDerWaalsContact O-CD 3.28Å; I71-R126 WeakPolarHBondContact O-CD 3.31Å; I71-R126 WeakPolarHBondContact O-CG 3.37Å; I71-R126 PolarHBondContact O-NE 2.69Å; I71-E129 HydrophobicContact CG2-CB 4.05Å; I71-E129 HydrophobicContact CG2-CG 3.62Å
72I97.5Very high97.9Very high62 Ų6264.9 Ų64.932%0.31832%0.321SS..THydrogen-bonded Turntrans-63.9-35.6177.1-65.9174.1000110.8N70 R126 E129 L130 Q133N70-I72 VanDerWaalsContact C-N 3.26Å; N70-I72 PolarHBondContact O-N 2.9Å; N70-I72 VanDerWaalsContact O-N 3.14Å; I72-R126 PolarHBondContact O-NE 2.64Å; I72-R126 PolarHBondContact O-NH2 3.42Å; I72-E129 HydrophobicContact CD1-CB 4.23Å; I72-E129 HydrophobicContact CG1-CB 4.02Å; I72-L130 HydrophobicContact CG2-CD2 3.97Å; I72-Q133 HydrophobicContact CD1-CB 4.46Å
73S97.5Very high97.9Very high88 Ų8866.1 Ų66.162%0.61533%0.325SS*.THydrogen-bonded Turntrans-78-22.7177.674.50000113.4N70 I71N70-S73 PolarHBondContact O-N 3.35Å; N70-S73 PolarHBondContact O-OG 3.28Å; I71-S73 VanDerWaalsContact C-N 3.25Å; I71-S73 PolarHBondContact O-N 2.93Å
74W98.1Very high97.9Very high53 Ų5366.3 Ų66.320%0.20133%0.327CS..PPolyproline II helixtrans-63.7135.2176176.581.9000110.8N70 I71 P76 R122 R126N70-W74 PolarHBondContact O-N 3.17Å; I71-W74 WeakPolarHBondContact O-CB 3.43Å; I71-W74 PolarHBondContact O-N 3.21Å; W74-P76 HydrophobicContact CE3-CG 4.27Å; W74-P76 HydrophobicContact CH2-CB 3.98Å; W74-P76 HydrophobicContact CH2-CG 4.25Å; W74-P76 HydrophobicContact CZ3-CB 3.95Å; W74-P76 HydrophobicContact CZ3-CG 3.7Å; W74-R122 HydrophobicContact CD2-CG 4.28Å; W74-R122 HydrophobicContact CE3-CG 4.09Å; W74-R122 HydrophobicContact CH2-CB 4.06Å; W74-R122 HydrophobicContact CH2-CG 4.11Å; W74-R122 HydrophobicContact CZ2-CB 4.49Å; W74-R122 HydrophobicContact CZ2-CG 4.31Å; W74-R122 HydrophobicContact CZ3-CB 4.24Å; W74-R122 HydrophobicContact CZ3-CG 4Å; W74-R126 WeakPolarHBondContact O-CD 2.99Å; W74-R126 PolarHBondContact O-NE 3.41Å
75Q97.4Very high97.9Very high115 Ų11558.9 Ų58.954%0.53730%0.296SS..PPolyproline II helixtrans-102.8125.4179.2-65.8-61.3-37.400110
76P97.9Very high98Very high11 Ų1153.1 Ų53.17%0.07127%0.271CS..PPolyproline II helixtrans-61.9157.6172.7-19.130.2000112.2W74 I80 Q81 T123W74-P76 HydrophobicContact CE3-CG 4.27Å; W74-P76 HydrophobicContact CH2-CB 3.98Å; W74-P76 HydrophobicContact CH2-CG 4.25Å; W74-P76 HydrophobicContact CZ3-CB 3.95Å; W74-P76 HydrophobicContact CZ3-CG 3.7Å; P76-I80 HydrophobicContact CB-CB 4.07Å; P76-I80 HydrophobicContact CB-CG2 3.95Å; P76-Q81 HydrophobicContact CB-CG 3.98Å; P76-Q81 HydrophobicContact CG-CG 4.28Å; P76-Q81 PolarHBondContact O-NE2 3.12Å; P76-T123 HydrophobicContact CB-CG2 4.41Å; P76-T123 HydrophobicContact CG-CG2 4Å
77P98.3Very high98Very high44 Ų4449.8 Ų49.829%0.28626%0.258SS..PPolyproline II helixtrans-51.1146165.6-2633.2000112.4V79 I80 Q81 D119P77-V79 VanDerWaalsContact C-N 3.25Å; P77-V79 HydrophobicContact CB-CG1 4.3Å; P77-V79 PolarHBondContact O-N 2.77Å; P77-I80 HydrophobicContact CB-CG1 4.47Å; P77-I80 HydrophobicContact CG-CD1 4.29Å; P77-I80 WeakPolarHBondContact O-CA 3.04Å; P77-I80 WeakPolarHBondContact O-CB 3.26Å; P77-I80 PolarHBondContact O-N 3.18Å; P77-Q81 PolarHBondContact O-N 3.29Å; P77-Q81 VanDerWaalsContact O-N 3.1Å; P77-D119 HydrophobicContact CG-CB 4.1Å
78E98.2Very high98Very high109 Ų10949.5 Ų49.551%0.50926%0.256SS..Hα-helixtrans-51.8-43.3-178-173.5-165.9143.400112.3I80 Q81 Q82 Y268E78-I80 PolarHBondContact O-N 3.33Å; E78-Q81 PolarHBondContact O-N 2.67Å; E78-Q81 VanDerWaalsContact O-N 3.13Å; E78-Q82 HydrophobicContact CG-CG 4.04Å; E78-Q82 WeakPolarHBondContact O-CB 3.39Å; E78-Q82 VanDerWaalsContact O-CG 3.25Å; E78-Q82 WeakPolarHBondContact O-CG 3.47Å; E78-Q82 PolarHBondContact O-N 3.13Å; E78-Y268 PolarHBondContact OE1-OH 3.39Å
79V98.4Very high98.1Very high6 Ų649.4 Ų49.44%0.03626%0.255CS..Hα-helixtrans-59.9-33.7178.668.40000112.7P77 Y83 A115 I264 Y268P77-V79 VanDerWaalsContact C-N 3.25Å; P77-V79 HydrophobicContact CB-CG1 4.3Å; P77-V79 PolarHBondContact O-N 2.77Å; V79-Y83 HydrophobicContact CG2-CD2 3.99Å; V79-Y83 WeakPolarHBondContact O-CB 3.42Å; V79-Y83 WeakPolarHBondContact O-CD2 3.39Å; V79-Y83 PolarHBondContact O-N 3.23Å; V79-A115 HydrophobicContact CG1-CB 4.18Å; V79-I264 HydrophobicContact CG2-CD1 3.95Å; V79-I264 HydrophobicContact CG2-CG1 4.17Å; V79-I264 HydrophobicContact CG2-CG2 3.64Å; V79-Y268 HydrophobicContact CB-CD1 3.94Å; V79-Y268 HydrophobicContact CB-CE1 4.49Å; V79-Y268 HydrophobicContact CB-CG 4.13Å; V79-Y268 HydrophobicContact CG2-CD1 4.33Å; V79-Y268 HydrophobicContact CG2-CD2 4.43Å; V79-Y268 HydrophobicContact CG2-CG 4.01Å
80I98.4Very high98.1Very high3 Ų345 Ų452%0.01523%0.234CC..Hα-helixtrans-73.2-46.9175.3-64.3-171.7000109.6P76 P77 E78 Q82 Y83 L84 A115 D119 L120 T123P76-I80 HydrophobicContact CB-CB 4.07Å; P76-I80 HydrophobicContact CB-CG2 3.95Å; P77-I80 HydrophobicContact CB-CG1 4.47Å; P77-I80 HydrophobicContact CG-CD1 4.29Å; P77-I80 WeakPolarHBondContact O-CA 3.04Å; P77-I80 WeakPolarHBondContact O-CB 3.26Å; P77-I80 PolarHBondContact O-N 3.18Å; E78-I80 PolarHBondContact O-N 3.33Å; I80-Q82 PolarHBondContact O-N 3.23Å; I80-Y83 PolarHBondContact O-N 2.74Å; I80-L84 HydrophobicContact CG2-CB 3.76Å; I80-L84 HydrophobicContact CG2-CD2 3.7Å; I80-L84 HydrophobicContact CG2-CG 4.37Å; I80-L84 WeakPolarHBondContact O-CB 3.46Å; I80-L84 PolarHBondContact O-N 3.16Å; I80-A115 HydrophobicContact CD1-CB 3.82Å; I80-A115 HydrophobicContact CG1-CB 3.9Å; I80-D119 HydrophobicContact CD1-CB 3.76Å; I80-L120 HydrophobicContact CD1-CD2 3.79Å; I80-L120 HydrophobicContact CD1-CG 4.13Å; I80-L120 HydrophobicContact CG1-CD2 4.1Å; I80-T123 HydrophobicContact CG2-CG2 3.75Å
81Q97.5Very high98.2Very high100 Ų10043 Ų4347%0.46722%0.22SC..Hα-helixtrans-58.6-37.6179.5-60.7-174.636.700112.5P76 P77 E78 N259P76-Q81 HydrophobicContact CB-CG 3.98Å; P76-Q81 HydrophobicContact CG-CG 4.28Å; P76-Q81 PolarHBondContact O-NE2 3.12Å; P77-Q81 PolarHBondContact O-N 3.29Å; P77-Q81 VanDerWaalsContact O-N 3.1Å; E78-Q81 PolarHBondContact O-N 2.67Å; E78-Q81 VanDerWaalsContact O-N 3.13Å; Q81-N259 PolarHBondContact O-ND2 3.22Å; Q81-N259 VanDerWaalsContact O-ND2 3.13Å
82Q97.9Very high98.2Very high108 Ų10843.3 Ų43.351%0.50522%0.222SC..Hα-helixtrans-85.1-32.3-175.5-64.8-69.91.200113.4E78 I80 N259E78-Q82 HydrophobicContact CG-CG 4.04Å; E78-Q82 WeakPolarHBondContact O-CB 3.39Å; E78-Q82 VanDerWaalsContact O-CG 3.25Å; E78-Q82 WeakPolarHBondContact O-CG 3.47Å; E78-Q82 PolarHBondContact O-N 3.13Å; I80-Q82 PolarHBondContact O-N 3.23Å; Q82-N259 PolarHBondContact O-ND2 2.68Å
83Y98.5Very high98.2Very high47 Ų4745.6 Ų45.618%0.18423%0.232CC..Hα-helixtrans-127.6-8.2-168.7-57.9-88.7000115.5V79 I80 S85 G261 I264 P265 Y268V79-Y83 HydrophobicContact CG2-CD2 3.99Å; V79-Y83 WeakPolarHBondContact O-CB 3.42Å; V79-Y83 WeakPolarHBondContact O-CD2 3.39Å; V79-Y83 PolarHBondContact O-N 3.23Å; I80-Y83 PolarHBondContact O-N 2.74Å; Y83-S85 PolarHBondContact O-N 2.92Å; Y83-G261 WeakPolarHBondContact O-CA 3.5Å; Y83-I264 HydrophobicContact CD1-CG1 3.89Å; Y83-I264 HydrophobicContact CD2-CG1 3.99Å; Y83-I264 HydrophobicContact CG-CD1 4.39Å; Y83-I264 HydrophobicContact CG-CG1 3.56Å; Y83-P265 VanDerWaalsContact OH-CD 3.23Å; Y83-P265 WeakPolarHBondContact OH-CD 3.48Å; Y83-P265 WeakPolarHBondContact OH-CG 3.29Å; Y83-Y268 HydrophobicContact CE2-CD2 4.33Å; Y83-Y268 AromaticContact CE2-CE2 3.85Å; Y83-Y268 HydrophobicContact CE2-CE2 3.85Å
84L98.4Very high98.2Very high20 Ų2045.7 Ų45.711%0.10523%0.226CC..SBendtrans-75.4109.8169.6-176.964.1000108.5I80 L106 L111 L120 T123 N259I80-L84 HydrophobicContact CG2-CB 3.76Å; I80-L84 HydrophobicContact CG2-CD2 3.7Å; I80-L84 HydrophobicContact CG2-CG 4.37Å; I80-L84 WeakPolarHBondContact O-CB 3.46Å; I80-L84 PolarHBondContact O-N 3.16Å; L84-L106 HydrophobicContact CD1-CD1 4.17Å; L84-L111 HydrophobicContact CD1-CD1 3.92Å; L84-L120 HydrophobicContact CD1-CD2 4.41Å; L84-T123 HydrophobicContact CD2-CG2 3.84Å; L84-N259 WeakPolarHBondContact O-CB 2.75Å; L84-N259 VanDerWaalsContact O-CG 3.26Å; L84-N259 PolarHBondContact O-OD1 3.15Å
85S98.1Very high98.2Very high4 Ų443.5 Ų43.53%0.02822%0.22CC..  trans-65.2151.5-178.863.60000112.6Y83 I102 N259Y83-S85 PolarHBondContact O-N 2.92Å; S85-I102 VanDerWaalsContact CB-O 3.25Å; S85-I102 WeakPolarHBondContact CB-O 3.4Å; S85-I102 PolarHBondContact OG-O 2.97Å; S85-N259 CarbonylContact C-O 3.56Å; S85-N259 WeakPolarHBondContact CA-O 3.4Å
86G98.3Very high98.3Very high8 Ų838.3 Ų38.38%0.08220%0.196CC..BIsolated β-bridgetrans113.3179.9174.300000113.2Y100 N259G86-Y100 CarbonylContact C-O 3.6Å; G86-Y100 WeakPolarHBondContact CA-O 3.38Å; G86-N259 PolarHBondContact N-O 2.78Å; G86-N259 WeakPolarHBondContact O-CB 3.5Å; G86-N259 PolarHBondContact O-N 3.11Å
87G98.4Very high98.4Very high6 Ų637.8 Ų37.86%0.06219%0.193CC..EExtended strand (participates in β ladder)trans161.5163.5179.300000113.9Y100 K257G87-Y100 PolarHBondContact N-O 3.22Å; G87-Y100 PolarHBondContact O-N 2.97Å; G87-K257 WeakPolarHBondContact CA-O 3.36Å
88M98.7Very high98.4Very high59 Ų5935.7 Ų35.729%0.29118%0.179SC..EExtended strand (participates in β ladder)trans-86.9124.5176.8-173.7178.270.500110.2P97 V98 W99 L131 E134M88-P97 HydrophobicContact SD-CB 4.25Å; M88-V98 WeakPolarHBondContact CA-O 3.35Å; M88-W99 HydrophobicContact CB-CE3 3.9Å; M88-W99 HydrophobicContact CB-CZ3 4.06Å; M88-L131 HydrophobicContact CB-CD2 4.47Å; M88-L131 HydrophobicContact CG-CD2 3.93Å; M88-L131 HydrophobicContact SD-CD2 3.73Å; M88-E134 HydrophobicContact CE-CB 4.08Å; M88-E134 HydrophobicContact CE-CG 3.86Å; M88-E134 HydrophobicContact SD-CB 3.74Å; M88-E134 HydrophobicContact SD-CG 3.66Å
89C98.8Very high98.4Very high1 Ų131.4 Ų31.41%0.00716%0.158CC..EExtended strand (participates in β ladder)trans-148.9112.4-178.5-173.50000112.1V98 Y100 M245 K257 I258C89-V98 PolarHBondContact N-O 2.8Å; C89-Y100 HydrophobicContact CB-CD2 3.97Å; C89-Y100 HydrophobicContact CB-CE2 3.83Å; C89-Y100 WeakPolarHBondContact O-CE2 3.48Å; C89-M245 PolarHBondContact SG-SD 3.45Å; C89-K257 HydrophobicContact CB-CB 4.16Å; C89-K257 HydrophobicContact CB-CD 4.31Å; C89-I258 HydrophobicContact CB-CD1 3.8Å; C89-I258 HydrophobicContact CB-CG1 3.79Å
90G98.6Very high98.4Very high10 Ų1031.1 Ų31.110%0.10316%0.157CC..EExtended strand (participates in β ladder)trans77.8-178.1175.700000114.5V98G90-V98 PolarHBondContact O-N 2.97Å
91Y98.9Very high98.4Very high48 Ų4831.7 Ų31.719%0.18816%0.159CC..EExtended strand (participates in β ladder)trans-133.8143.7-178.9-50.5-85.1000110C96 P97 E134 R137 Q138 I232 Q236Y91-C96 CarbonylContact C-O 3.59Å; Y91-C96 VanDerWaalsContact CA-O 3.26Å; Y91-C96 WeakPolarHBondContact CA-O 2.92Å; Y91-P97 HydrophobicContact CD1-CB 4.43Å; Y91-P97 HydrophobicContact CD1-CG 4.39Å; Y91-P97 HydrophobicContact CE1-CB 4.47Å; Y91-P97 HydrophobicContact CE1-CG 4.4Å; Y91-E134 HydrophobicContact CE1-CG 3.73Å; Y91-E134 WeakPolarHBondContact CE1-OE1 3.11Å; Y91-E134 PolarHBondContact OH-OE1 2.86Å; Y91-R137 PolarHBondContact OH-NH2 2.8Å; Y91-Q138 VanDerWaalsContact CD1-CD 3.44Å; Y91-Q138 HydrophobicContact CD1-CG 3.65Å; Y91-Q138 VanDerWaalsContact CD1-NE2 3.31Å; Y91-Q138 VanDerWaalsContact CE1-CD 3.43Å; Y91-Q138 HydrophobicContact CE1-CG 3.46Å; Y91-Q138 VanDerWaalsContact CE1-CG 3.46Å; Y91-I232 WeakPolarHBondContact O-CG2 3.17Å; Y91-Q236 VanDerWaalsContact O-CB 3.24Å; Y91-Q236 WeakPolarHBondContact O-CB 3.49Å
92D98.5Very high98.5Very high8 Ų827.2 Ų27.24%0.04314%0.139CC..  trans-72.2174.1172.778.618.7000112.4D94 G95 C96 V98 T150 K187 H231 I232D92-D94 PolarHBondContact O-N 2.99Å; D92-D94 VanDerWaalsContact O-N 3.09Å; D92-D94 WeakPolarHBondContact OD1-CA 3.34Å; D92-D94 PolarHBondContact OD1-N 2.85Å; D92-G95 WeakPolarHBondContact O-CA 3.38Å; D92-G95 PolarHBondContact O-N 3.42Å; D92-G95 PolarHBondContact OD1-N 2.83Å; D92-C96 PolarHBondContact N-O 2.8Å; D92-C96 WeakPolarHBondContact OD1-CB 3.35Å; D92-C96 PolarHBondContact OD1-N 2.93Å; D92-C96 WeakPolarHBondContact OD2-CB 3.45Å; D92-V98 HydrophobicContact CB-CG2 4.23Å; D92-T150 PolarHBondContact OD2-OG1 2.79Å; D92-K187 IonicContact OD1-NZ 3.3Å; D92-K187 PolarHBondContact OD1-NZ 2.99Å; D92-K187 VanDerWaalsContact OD1-NZ 3.16Å; D92-K187 WeakPolarHBondContact OD2-CD 3.27Å; D92-K187 WeakPolarHBondContact OD2-CE 3.23Å; D92-K187 IonicContact OD2-NZ 3.56Å; D92-K187 PolarHBondContact OD2-NZ 2.91Å; D92-H231 WeakPolarHBondContact CB-O 3.25Å; D92-I232 HydrophobicContact CB-CG1 3.87Å
93M98.2Very high98.5Very high110 Ų11022.7 Ų22.754%0.54212%0.118SC..THydrogen-bonded Turntrans-60.8-20.8-175.6-71.5179.1-17600113.8G95 L229 H231M93-G95 VanDerWaalsContact C-N 3.34Å; M93-L229 WeakPolarHBondContact CE-O 3.42Å; M93-H231 WeakPolarHBondContact CB-O 3.44Å; M93-H231 VanDerWaalsContact CG-O 3.3Å; M93-H231 WeakPolarHBondContact CG-O 3.41Å; M93-H231 PolarHBondContact N-O 3.42Å
94D97.7Very high98.5Very high89 Ų8920.9 Ų20.948%0.47611%0.114SC..THydrogen-bonded Turntrans-90.3-3.1175-62.3-55.1000112.6D92 K144 K187D92-D94 PolarHBondContact O-N 2.99Å; D92-D94 VanDerWaalsContact O-N 3.09Å; D92-D94 WeakPolarHBondContact OD1-CA 3.34Å; D92-D94 PolarHBondContact OD1-N 2.85Å; D94-K144 WeakPolarHBondContact O-CE 3.49Å; D94-K144 PolarHBondContact O-NZ 2.9Å; D94-K187 WeakPolarHBondContact OD2-CE 3.1Å; D94-K187 IonicContact OD2-NZ 2.69Å; D94-K187 PolarHBondContact OD2-NZ 2.91Å
95G98.3Very high98.5Very high7 Ų722 Ų227%0.07212%0.122CC..SBendtrans898.9-178.100000114.2D92 M93 Q138D92-G95 WeakPolarHBondContact O-CA 3.38Å; D92-G95 PolarHBondContact O-N 3.42Å; D92-G95 PolarHBondContact OD1-N 2.83Å; M93-G95 VanDerWaalsContact C-N 3.34Å; G95-Q138 PolarHBondContact O-NE2 2.6Å
96C98.7Very high98.4Very high7 Ų723.4 Ų23.45%0.04713%0.129CC..  trans-73.2136.4177.2-66.50000110.6Y91 D92 T148 K187Y91-C96 CarbonylContact C-O 3.59Å; Y91-C96 VanDerWaalsContact CA-O 3.26Å; Y91-C96 WeakPolarHBondContact CA-O 2.92Å; D92-C96 PolarHBondContact N-O 2.8Å; D92-C96 WeakPolarHBondContact OD1-CB 3.35Å; D92-C96 PolarHBondContact OD1-N 2.93Å; D92-C96 WeakPolarHBondContact OD2-CB 3.45Å; C96-T148 VanDerWaalsContact CB-O 3.23Å; C96-T148 WeakPolarHBondContact CB-O 3.48Å; C96-T148 PolarHBondContact SG-O 3.42Å; C96-T148 VanDerWaalsContact SG-O 3.35Å; C96-T148 PolarHBondContact SG-OG1 3.38Å; C96-K187 HydrophobicContact CB-CD 4.22Å
97P98.9Very high98.4Very high0 Ų024.2 Ų24.20%013%0.131CC..EExtended strand (participates in β ladder)trans-59.9144.9176.4-21.934.2000111.9M88 Y91 L131 E134 C135 T150M88-P97 HydrophobicContact SD-CB 4.25Å; Y91-P97 HydrophobicContact CD1-CB 4.43Å; Y91-P97 HydrophobicContact CD1-CG 4.39Å; Y91-P97 HydrophobicContact CE1-CB 4.47Å; Y91-P97 HydrophobicContact CE1-CG 4.4Å; P97-L131 HydrophobicContact CB-CD2 3.91Å; P97-E134 HydrophobicContact CB-CB 4.48Å; P97-E134 HydrophobicContact CB-CG 4.04Å; P97-E134 HydrophobicContact CG-CB 4.02Å; P97-E134 HydrophobicContact CG-CG 3.7Å; P97-C135 VanDerWaalsContact CD-SG 3.57Å; P97-T150 PolarHBondContact O-N 2.89Å
98V98.9Very high98.3Very high0 Ų024.5 Ų24.50%013%0.134CC..EExtended strand (participates in β ladder)trans-108.9126.1177.5-174.70000110.5M88 C89 G90 D92 Y100 T150 I152 I232M88-V98 WeakPolarHBondContact CA-O 3.35Å; C89-V98 PolarHBondContact N-O 2.8Å; G90-V98 PolarHBondContact O-N 2.97Å; D92-V98 HydrophobicContact CB-CG2 4.23Å; V98-Y100 HydrophobicContact CB-CE2 4.28Å; V98-Y100 HydrophobicContact CG1-CD2 4.18Å; V98-Y100 HydrophobicContact CG1-CE2 3.56Å; V98-T150 CarbonylContact C-O 3.5Å; V98-T150 VanDerWaalsContact CA-O 3.27Å; V98-T150 WeakPolarHBondContact CA-O 3.41Å; V98-T150 HydrophobicContact CG1-CG2 4.46Å; V98-T150 HydrophobicContact CG2-CG2 4.47Å; V98-I152 HydrophobicContact CG1-CD1 3.84Å; V98-I152 HydrophobicContact CG1-CG1 4.17Å; V98-I232 HydrophobicContact CG1-CD1 4.2Å; V98-I232 HydrophobicContact CG2-CD1 4Å; V98-I232 HydrophobicContact CG2-CG1 4.46Å
99W98.9Very high98.1Very high19 Ų1925.2 Ų25.27%0.07214%0.135CC..EExtended strand (participates in β ladder)trans-105.9137.6173.5-177.1-93.6000110.7M88 D101 E127 L131 T150 I151 I152M88-W99 HydrophobicContact CB-CE3 3.9Å; M88-W99 HydrophobicContact CB-CZ3 4.06Å; W99-D101 VanDerWaalsContact NE1-CG 3.28Å; W99-D101 PolarHBondContact NE1-OD1 3.2Å; W99-D101 PolarHBondContact NE1-OD2 3.31Å; W99-E127 HydrophobicContact CH2-CB 3.8Å; W99-E127 HydrophobicContact CH2-CG 3.37Å; W99-E127 WeakPolarHBondContact CH2-OE2 3.23Å; W99-E127 HydrophobicContact CZ2-CB 4.28Å; W99-E127 HydrophobicContact CZ2-CG 3.97Å; W99-E127 WeakPolarHBondContact CZ2-OE2 3.36Å; W99-E127 HydrophobicContact CZ3-CB 4.04Å; W99-E127 HydrophobicContact CZ3-CG 4.02Å; W99-L131 HydrophobicContact CB-CD1 4.2Å; W99-L131 HydrophobicContact CB-CD2 4.34Å; W99-L131 HydrophobicContact CD2-CD1 4.28Å; W99-L131 HydrophobicContact CE3-CD1 3.99Å; W99-L131 HydrophobicContact CE3-CD2 4.27Å; W99-L131 HydrophobicContact CE3-CG 4.22Å; W99-L131 HydrophobicContact CG-CD1 4.37Å; W99-T150 PolarHBondContact N-O 3.47Å; W99-I151 HydrophobicContact CB-CG1 4.36Å; W99-I151 CarbonylContact O-C 3.52Å; W99-I151 WeakPolarHBondContact O-CA 3.35Å; W99-I152 PolarHBondContact O-N 2.9Å
100Y98.9Very high98.1Very high0 Ų025.2 Ų25.20%014%0.135CC..EExtended strand (participates in β ladder)trans-111.3133.7174.9-68.5-102.8000109.7G86 G87 C89 V98 I152 P238 Y241 I258G86-Y100 CarbonylContact C-O 3.6Å; G86-Y100 WeakPolarHBondContact CA-O 3.38Å; G87-Y100 PolarHBondContact N-O 3.22Å; G87-Y100 PolarHBondContact O-N 2.97Å; C89-Y100 HydrophobicContact CB-CD2 3.97Å; C89-Y100 HydrophobicContact CB-CE2 3.83Å; C89-Y100 WeakPolarHBondContact O-CE2 3.48Å; V98-Y100 HydrophobicContact CB-CE2 4.28Å; V98-Y100 HydrophobicContact CG1-CD2 4.18Å; V98-Y100 HydrophobicContact CG1-CE2 3.56Å; Y100-I152 WeakPolarHBondContact CA-O 3.38Å; Y100-I152 HydrophobicContact CD1-CB 3.84Å; Y100-I152 HydrophobicContact CD1-CD1 4.3Å; Y100-I152 HydrophobicContact CD1-CG2 3.87Å; Y100-I152 HydrophobicContact CE1-CB 3.91Å; Y100-I152 HydrophobicContact CE1-CD1 3.49Å; Y100-I152 VanDerWaalsContact CE1-CD1 3.49Å; Y100-I152 HydrophobicContact CE1-CG1 4.28Å; Y100-I152 HydrophobicContact CE1-CG2 3.93Å; Y100-I152 HydrophobicContact CE2-CD1 4.38Å; Y100-I152 HydrophobicContact CG-CB 4.43Å; Y100-I152 WeakPolarHBondContact OH-CD1 3.11Å; Y100-P238 WeakPolarHBondContact OH-CD 3.15Å; Y100-Y241 AromaticContact CD1-CD2 3.89Å; Y100-Y241 HydrophobicContact CD1-CD2 3.89Å; Y100-Y241 HydrophobicContact CD1-CE1 4.4Å; Y100-Y241 AromaticContact CD1-CE2 3.73Å; Y100-Y241 HydrophobicContact CD1-CE2 3.73Å; Y100-Y241 HydrophobicContact CD1-CG 4.32Å; Y100-Y241 HydrophobicContact CE1-CD1 4.17Å; Y100-Y241 AromaticContact CE1-CD2 3.48Å; Y100-Y241 HydrophobicContact CE1-CD2 3.48Å; Y100-Y241 VanDerWaalsContact CE1-CD2 3.48Å; Y100-Y241 HydrophobicContact CE1-CE1 4.5Å; Y100-Y241 AromaticContact CE1-CE2 3.84Å; Y100-Y241 HydrophobicContact CE1-CE2 3.84Å; Y100-Y241 AromaticContact CE1-CG 3.7Å; Y100-Y241 HydrophobicContact CE1-CG 3.7Å; Y100-I258 HydrophobicContact CD1-CD1 4.25Å; Y100-I258 HydrophobicContact CD2-CD1 3.88Å; Y100-I258 HydrophobicContact CD2-CG1 4.44Å; Y100-I258 HydrophobicContact CE2-CD1 4.26Å; Y100-I258 HydrophobicContact CG-CD1 3.89Å
101D98.3Very high98.1Very high14 Ų1425 Ų258%0.07513%0.131CC..EExtended strand (participates in β ladder)trans-118.5129.3164.3-75.3-53.6000109W99 I103 K124 I152 Y153 D154W99-D101 VanDerWaalsContact NE1-CG 3.28Å; W99-D101 PolarHBondContact NE1-OD1 3.2Å; W99-D101 PolarHBondContact NE1-OD2 3.31Å; D101-I103 HydrophobicContact CB-CD1 4.15Å; D101-K124 IonicContact OD1-NZ 3.8Å; D101-I152 PolarHBondContact N-O 3.32Å; D101-Y153 HydrophobicContact CB-CD2 3.58Å; D101-Y153 HydrophobicContact CB-CE2 3.59Å; D101-Y153 HydrophobicContact CB-CG 4.49Å; D101-D154 PolarHBondContact O-N 2.85Å
102I98.7Very high98Very high6 Ų623.2 Ų23.23%0.03113%0.125CC..EExtended strand (participates in β ladder)trans-114100.9-174.3-40-49000110.1S85 P105 D154 Y241 I258 Y260S85-I102 VanDerWaalsContact CB-O 3.25Å; S85-I102 WeakPolarHBondContact CB-O 3.4Å; S85-I102 PolarHBondContact OG-O 2.97Å; I102-P105 HydrophobicContact CB-CG 4.46Å; I102-P105 HydrophobicContact CG2-CG 3.83Å; I102-D154 HydrophobicContact CD1-CB 4.03Å; I102-D154 HydrophobicContact CG2-CB 4.49Å; I102-Y241 WeakPolarHBondContact CD1-OH 3.44Å; I102-I258 HydrophobicContact CD1-CG2 4.21Å; I102-I258 HydrophobicContact CG1-CG2 4.04Å; I102-Y260 HydrophobicContact CG1-CD1 4.36Å; I102-Y260 HydrophobicContact CG1-CE1 4.46Å; I102-Y260 HydrophobicContact CG2-CD1 4.14Å
103I98.3Very high97.9Very high14 Ų1423.7 Ų23.77%0.07213%0.127CC..  trans-83.4-48.4-162-54.1-53000113.6D101 P105 L106 Y153 D154 L158 H162D101-I103 HydrophobicContact CB-CD1 4.15Å; I103-P105 VanDerWaalsContact C-CD 3.44Å; I103-L106 WeakPolarHBondContact O-CB 3.15Å; I103-L106 PolarHBondContact O-N 2.92Å; I103-Y153 HydrophobicContact CD1-CD1 4.45Å; I103-Y153 HydrophobicContact CD1-CE1 3.67Å; I103-Y153 HydrophobicContact CD1-CE2 3.87Å; I103-Y153 VanDerWaalsContact CD1-OH 3.22Å; I103-Y153 WeakPolarHBondContact CD1-OH 3.33Å; I103-Y153 HydrophobicContact CG1-CD1 4.01Å; I103-Y153 HydrophobicContact CG1-CE1 3.45Å; I103-Y153 VanDerWaalsContact CG1-CE1 3.45Å; I103-Y153 HydrophobicContact CG1-CE2 4.46Å; I103-D154 WeakPolarHBondContact CB-O 3.23Å; I103-D154 WeakPolarHBondContact CG1-O 3.24Å; I103-D154 PolarHBondContact N-O 3.17Å; I103-L158 HydrophobicContact CG2-CB 4.45Å; I103-L158 HydrophobicContact CG2-CD1 3.98Å; I103-H162 PolarHBondContact O-NE2 2.91Å
104G98Very high97.9Very high9 Ų919 Ų199%0.09310%0.104CC..THydrogen-bonded Turntrans-50.1-44.7-174.400000116.7L106 E156 K161G104-L106 VanDerWaalsContact C-N 3.27Å; G104-L106 PolarHBondContact O-N 3.45Å; G104-E156 WeakPolarHBondContact CA-O 3.4Å; G104-E156 PolarHBondContact N-O 2.84Å; G104-E156 VanDerWaalsContact N-O 3.17Å; G104-K161 WeakPolarHBondContact O-CE 3.43Å; G104-K161 PolarHBondContact O-NZ 3.03Å
105P98.2Very high97.9Very high43 Ų4315 Ų1528%0.2798%0.084SC..THydrogen-bonded Turntrans-82.81.6-178.933.9-36.1000113.9I102 I103 D107 Y260 G262I102-P105 HydrophobicContact CB-CG 4.46Å; I102-P105 HydrophobicContact CG2-CG 3.83Å; I103-P105 VanDerWaalsContact C-CD 3.44Å; P105-D107 PolarHBondContact O-N 2.85Å; P105-Y260 WeakPolarHBondContact CB-O 3.21Å; P105-Y260 WeakPolarHBondContact CG-O 3.29Å; P105-G262 PolarHBondContact O-N 2.95Å
106L97.4Very high97.8Very high33 Ų3316.1 Ų16.117%0.1739%0.091CC..BIsolated β-bridgetrans-69.7114.6-179.4-170.668.7000111.1L84 I103 G104 A108 L111L84-L106 HydrophobicContact CD1-CD1 4.17Å; I103-L106 WeakPolarHBondContact O-CB 3.15Å; I103-L106 PolarHBondContact O-N 2.92Å; G104-L106 VanDerWaalsContact C-N 3.27Å; G104-L106 PolarHBondContact O-N 3.45Å; L106-A108 VanDerWaalsContact C-N 3.32Å; L106-A108 PolarHBondContact O-N 3.38Å; L106-A108 VanDerWaalsContact O-N 3.11Å; L106-L111 HydrophobicContact CD1-CD1 3.4Å; L106-L111 HydrophobicContact CG-CD1 4.13Å
107D98.1Very high97.6Very high25 Ų2519.7 Ų19.713%0.13411%0.106CC..  trans-82.277.3169.1-1788.6000110.3P105 K109 G110 L111 I264P105-D107 PolarHBondContact O-N 2.85Å; D107-K109 VanDerWaalsContact C-N 3.29Å; D107-K109 PolarHBondContact O-N 2.78Å; D107-G110 PolarHBondContact O-N 3.49Å; D107-G110 PolarHBondContact OD1-N 3.4Å; D107-G110 WeakPolarHBondContact OD2-CA 3.34Å; D107-L111 WeakPolarHBondContact O-CG 3.43Å; D107-L111 PolarHBondContact O-N 2.74Å; D107-I264 HydrophobicContact CB-CD1 4.48Å; D107-I264 HydrophobicContact CB-CG1 4.46Å; D107-I264 PolarHBondContact OD2-N 3.32Å
108A95.5Very high97.5Very high13 Ų1326.5 Ų26.511%0.10714%0.137CC..Hα-helixtrans-61.3-35.9-175.600000113.2L106 L112 A167L106-A108 VanDerWaalsContact C-N 3.32Å; L106-A108 PolarHBondContact O-N 3.38Å; L106-A108 VanDerWaalsContact O-N 3.11Å; A108-L112 PolarHBondContact O-N 3.02Å; A108-L112 VanDerWaalsContact O-N 3.13Å; A108-A167 HydrophobicContact CB-CB 3.7Å
109K95.5Very high97.4Very high74 Ų7428.8 Ų28.832%0.32215%0.15SC..Hα-helixtrans-71.8-45.3177.8-165.1163.6-177.1170.60110.3D107 L111 L112 F113 W164 D350D107-K109 VanDerWaalsContact C-N 3.29Å; D107-K109 PolarHBondContact O-N 2.78Å; K109-L111 VanDerWaalsContact C-N 3.33Å; K109-L111 PolarHBondContact O-N 3.22Å; K109-L112 PolarHBondContact O-N 3.34Å; K109-F113 HydrophobicContact CD-CZ 4.26Å; K109-F113 VanDerWaalsContact CE-CZ 3.46Å; K109-F113 HydrophobicContact CG-CD1 4.3Å; K109-F113 HydrophobicContact CG-CE1 3.92Å; K109-F113 HydrophobicContact CG-CE2 4.15Å; K109-F113 HydrophobicContact CG-CZ 3.84Å; K109-F113 WeakPolarHBondContact O-CB 3.44Å; K109-F113 WeakPolarHBondContact O-CD1 3.48Å; K109-F113 WeakPolarHBondContact O-CG 3.31Å; K109-F113 PolarHBondContact O-N 3.07Å; K109-W164 HydrophobicContact CB-CE3 4.14Å; K109-W164 HydrophobicContact CB-CZ3 4.08Å; K109-W164 HydrophobicContact CD-CZ2 4.41Å; K109-W164 HydrophobicContact CG-CE3 4.25Å; K109-W164 HydrophobicContact CG-CH2 3.97Å; K109-W164 HydrophobicContact CG-CZ2 4.21Å; K109-W164 HydrophobicContact CG-CZ3 3.97Å; K109-D350 IonicContact NZ-OD1 2.78Å; K109-D350 PolarHBondContact NZ-OD1 3.24Å; K109-D350 IonicContact NZ-OD2 2.92Å
110G97.9Very high97.4Very high0 Ų029 Ų290%015%0.152CC..Hα-helixtrans-59.3-40.5173.800000113.4D107 F113 S114 I264 Y269D107-G110 PolarHBondContact O-N 3.49Å; D107-G110 PolarHBondContact OD1-N 3.4Å; D107-G110 WeakPolarHBondContact OD2-CA 3.34Å; G110-F113 PolarHBondContact O-N 3.1Å; G110-S114 VanDerWaalsContact O-CB 3.23Å; G110-S114 WeakPolarHBondContact O-CB 3.28Å; G110-S114 PolarHBondContact O-N 3.37Å; G110-S114 PolarHBondContact O-OG 3.22Å; G110-I264 VanDerWaalsContact C-CD1 3.44Å; G110-Y269 WeakPolarHBondContact CA-OH 3.38Å
111L98.1Very high97.4Very high5 Ų530 Ų303%0.02616%0.157CC..Hα-helixtrans-62.6-49.4176.7-81.3171.7000111L84 L106 D107 K109 F113 S114 A115 L120 I264L84-L111 HydrophobicContact CD1-CD1 3.92Å; L106-L111 HydrophobicContact CD1-CD1 3.4Å; L106-L111 HydrophobicContact CG-CD1 4.13Å; D107-L111 WeakPolarHBondContact O-CG 3.43Å; D107-L111 PolarHBondContact O-N 2.74Å; K109-L111 VanDerWaalsContact C-N 3.33Å; K109-L111 PolarHBondContact O-N 3.22Å; L111-F113 PolarHBondContact O-N 2.79Å; L111-S114 PolarHBondContact O-N 3.28Å; L111-S114 VanDerWaalsContact O-N 3.15Å; L111-A115 PolarHBondContact O-N 2.9Å; L111-L120 HydrophobicContact CB-CD2 4.45Å; L111-L120 HydrophobicContact CD2-CD2 4.29Å; L111-I264 HydrophobicContact CB-CD1 4.09Å; L111-I264 HydrophobicContact CD2-CD1 3.56Å; L111-I264 HydrophobicContact CG-CD1 3.49Å; L111-I264 VanDerWaalsContact CG-CD1 3.49Å; L111-I264 VanDerWaalsContact N-CD1 3.26Å
112L97Very high97.4Very high12 Ų1232.7 Ų32.76%0.06317%0.166CC..Hα-helixtrans-73.1-14.4179.8-75.6170000113.6A108 K109 K117 L120 W164 P166 A167 A170 R271A108-L112 PolarHBondContact O-N 3.02Å; A108-L112 VanDerWaalsContact O-N 3.13Å; K109-L112 PolarHBondContact O-N 3.34Å; L112-K117 HydrophobicContact CD2-CB 4.44Å; L112-L120 HydrophobicContact CD2-CD1 3.58Å; L112-L120 HydrophobicContact CG-CD1 4.11Å; L112-W164 HydrophobicContact CB-CH2 4.26Å; L112-W164 HydrophobicContact CB-CZ3 3.89Å; L112-W164 HydrophobicContact CD1-CE3 4.18Å; L112-W164 HydrophobicContact CD1-CH2 4.34Å; L112-W164 HydrophobicContact CD1-CZ3 3.52Å; L112-W164 HydrophobicContact CG-CZ3 4.32Å; L112-P166 HydrophobicContact CD1-CB 4.07Å; L112-A167 HydrophobicContact CD1-CB 4.18Å; L112-A170 HydrophobicContact CD2-CB 4.44Å; L112-R271 PolarHBondContact O-NH1 3.33Å
113F97.4Very high97.4Very high17 Ų1732.8 Ų32.88%0.07517%0.167CC..Hα-helixtrans-88.5-20.6170.6-77.417.9000112.5K109 G110 L111 W164 Y269 V270 R271 D272 V274K109-F113 HydrophobicContact CD-CZ 4.26Å; K109-F113 VanDerWaalsContact CE-CZ 3.46Å; K109-F113 HydrophobicContact CG-CD1 4.3Å; K109-F113 HydrophobicContact CG-CE1 3.92Å; K109-F113 HydrophobicContact CG-CE2 4.15Å; K109-F113 HydrophobicContact CG-CZ 3.84Å; K109-F113 WeakPolarHBondContact O-CB 3.44Å; K109-F113 WeakPolarHBondContact O-CD1 3.48Å; K109-F113 WeakPolarHBondContact O-CG 3.31Å; K109-F113 PolarHBondContact O-N 3.07Å; G110-F113 PolarHBondContact O-N 3.1Å; L111-F113 PolarHBondContact O-N 2.79Å; F113-W164 HydrophobicContact CD1-CH2 4.27Å; F113-W164 AromaticContact CE1-CH2 3.73Å; F113-W164 HydrophobicContact CE1-CH2 3.73Å; F113-W164 HydrophobicContact CE1-CZ2 4.08Å; F113-Y269 HydrophobicContact CB-CD2 3.77Å; F113-Y269 HydrophobicContact CB-CE2 3.95Å; F113-Y269 HydrophobicContact CB-CG 4.07Å; F113-Y269 AromaticContact CD2-CD2 3.67Å; F113-Y269 HydrophobicContact CD2-CD2 3.67Å; F113-Y269 AromaticContact CD2-CE2 3.55Å; F113-Y269 HydrophobicContact CD2-CE2 3.55Å; F113-Y269 HydrophobicContact CE2-CE2 4.5Å; F113-Y269 HydrophobicContact CG-CD2 4.25Å; F113-Y269 HydrophobicContact CG-CE2 4.22Å; F113-V270 VanDerWaalsContact O-CG2 3.28Å; F113-V270 WeakPolarHBondContact O-CG2 3.49Å; F113-V270 PolarHBondContact O-N 3.25Å; F113-R271 HydrophobicContact CB-CG 4.42Å; F113-R271 WeakPolarHBondContact CB-O 3.46Å; F113-R271 HydrophobicContact CD1-CG 4.44Å; F113-R271 WeakPolarHBondContact CD2-O 3.45Å; F113-R271 PolarHBondContact O-N 3.25Å; F113-D272 VanDerWaalsContact CE2-C 3.43Å; F113-D272 WeakPolarHBondContact CE2-O 3.24Å; F113-D272 WeakPolarHBondContact CZ-O 3.49Å; F113-V274 HydrophobicContact CD1-CG2 4.16Å; F113-V274 HydrophobicContact CE1-CG2 4.02Å
114S98.3Very high97.4Very high11 Ų1133.2 Ų33.28%0.07717%0.168CC..Hα-helixtrans-107.1-22.1-175.1-520000114G110 L111 Y268 Y269G110-S114 VanDerWaalsContact O-CB 3.23Å; G110-S114 WeakPolarHBondContact O-CB 3.28Å; G110-S114 PolarHBondContact O-N 3.37Å; G110-S114 PolarHBondContact O-OG 3.22Å; L111-S114 PolarHBondContact O-N 3.28Å; L111-S114 VanDerWaalsContact O-N 3.15Å; S114-Y268 WeakPolarHBondContact CA-O 3.4Å; S114-Y268 VanDerWaalsContact CB-O 3.24Å; S114-Y268 WeakPolarHBondContact CB-O 3.21Å; S114-Y268 PolarHBondContact OG-O 3.36Å; S114-Y269 VanDerWaalsContact OG-CD1 3.23Å; S114-Y269 WeakPolarHBondContact OG-CD1 3.22Å
115A97.3Very high97.4Very high5 Ų533.1 Ų33.14%0.04117%0.166CC..SBendtrans-133.1159.2179.600000111V79 I80 L111 R271V79-A115 HydrophobicContact CG1-CB 4.18Å; I80-A115 HydrophobicContact CD1-CB 3.82Å; I80-A115 HydrophobicContact CG1-CB 3.9Å; L111-A115 PolarHBondContact O-N 2.9Å; A115-R271 PolarHBondContact O-NH1 3.43Å
116S95.9Very high97.4Very high31 Ų3133.4 Ų33.422%0.21716%0.161CC..  trans-76.4153.7172.777.30000110.6Q118 D119 L120S116-Q118 PolarHBondContact O-N 2.96Å; S116-Q118 PolarHBondContact OG-N 3.2Å; S116-D119 WeakPolarHBondContact CB-OD2 3.4Å; S116-D119 PolarHBondContact N-OD2 2.81Å; S116-D119 PolarHBondContact O-N 3.02Å; S116-D119 VanDerWaalsContact O-N 3.15Å; S116-D119 PolarHBondContact OG-N 3.34Å; S116-D119 PolarHBondContact OG-OD2 2.7Å; S116-L120 PolarHBondContact O-N 2.72Å
117K94.9Very high97.5Very high83 Ų8333.1 Ų33.136%0.36116%0.159SC..Hα-helixtrans-55.6-34.8169-177.2177.563168.70111.4L112 L120 L121 A170 E173L112-K117 HydrophobicContact CD2-CB 4.44Å; K117-L120 PolarHBondContact O-N 3Å; K117-L121 HydrophobicContact CG-CD1 4.05Å; K117-L121 HydrophobicContact CG-CG 4.33Å; K117-L121 WeakPolarHBondContact O-CB 3.34Å; K117-L121 VanDerWaalsContact O-CG 3.3Å; K117-L121 WeakPolarHBondContact O-CG 3.33Å; K117-L121 PolarHBondContact O-N 3.19Å; K117-A170 HydrophobicContact CD-CB 4.08Å; K117-A170 HydrophobicContact CG-CB 4.04Å; K117-E173 WeakPolarHBondContact CD-OE2 3.37Å; K117-E173 WeakPolarHBondContact CE-OE2 3.49Å; K117-E173 IonicContact NZ-OE1 3.15Å; K117-E173 PolarHBondContact NZ-OE1 3.45Å; K117-E173 IonicContact NZ-OE2 2.82Å; K117-E173 PolarHBondContact NZ-OE2 2.98Å
118Q95.8Very high97.5Very high142 Ų14232.4 Ų32.466%0.66416%0.156SC*.Hα-helixtrans-65.5-39.6178.4-67-178.5-15.600112.2S116 L121 R122S116-Q118 PolarHBondContact O-N 2.96Å; S116-Q118 PolarHBondContact OG-N 3.2Å; Q118-L121 PolarHBondContact O-N 2.88Å; Q118-R122 VanDerWaalsContact O-CB 3.22Å; Q118-R122 WeakPolarHBondContact O-CB 3.49Å; Q118-R122 PolarHBondContact O-N 3.46Å
119D98Very high97.6Very high49 Ų4932.7 Ų32.726%0.26216%0.155SC..Hα-helixtrans-68-39.2176.6-62.1-47.1000111.8P77 I80 S116 R122 T123P77-D119 HydrophobicContact CG-CB 4.1Å; I80-D119 HydrophobicContact CD1-CB 3.76Å; S116-D119 WeakPolarHBondContact CB-OD2 3.4Å; S116-D119 PolarHBondContact N-OD2 2.81Å; S116-D119 PolarHBondContact O-N 3.02Å; S116-D119 VanDerWaalsContact O-N 3.15Å; S116-D119 PolarHBondContact OG-N 3.34Å; S116-D119 PolarHBondContact OG-OD2 2.7Å; D119-R122 PolarHBondContact O-N 3.38Å; D119-T123 WeakPolarHBondContact O-CB 3.45Å; D119-T123 PolarHBondContact O-N 2.94Å; D119-T123 PolarHBondContact O-OG1 2.92Å
120L97.9Very high97.8Very high22 Ų2231.5 Ų31.512%0.11515%0.152CC..Hα-helixtrans-61.9-50174-69.4167.6000110.9I80 L84 L111 L112 S116 K117 R122 T123 K124I80-L120 HydrophobicContact CD1-CD2 3.79Å; I80-L120 HydrophobicContact CD1-CG 4.13Å; I80-L120 HydrophobicContact CG1-CD2 4.1Å; L84-L120 HydrophobicContact CD1-CD2 4.41Å; L111-L120 HydrophobicContact CB-CD2 4.45Å; L111-L120 HydrophobicContact CD2-CD2 4.29Å; L112-L120 HydrophobicContact CD2-CD1 3.58Å; L112-L120 HydrophobicContact CG-CD1 4.11Å; S116-L120 PolarHBondContact O-N 2.72Å; K117-L120 PolarHBondContact O-N 3Å; L120-R122 PolarHBondContact O-N 3.24Å; L120-T123 WeakPolarHBondContact O-CB 3.39Å; L120-T123 PolarHBondContact O-N 3.47Å; L120-K124 PolarHBondContact O-N 3.41Å
121L97.9Very high97.8Very high23 Ų2332.3 Ų32.312%0.1216%0.156CC..Hα-helixtrans-61.5-43.2177.1-72.5174.9000111.8K117 Q118 T123 K124 M125 E173 F174K117-L121 HydrophobicContact CG-CD1 4.05Å; K117-L121 HydrophobicContact CG-CG 4.33Å; K117-L121 WeakPolarHBondContact O-CB 3.34Å; K117-L121 VanDerWaalsContact O-CG 3.3Å; K117-L121 WeakPolarHBondContact O-CG 3.33Å; K117-L121 PolarHBondContact O-N 3.19Å; Q118-L121 PolarHBondContact O-N 2.88Å; L121-T123 VanDerWaalsContact C-N 3.3Å; L121-T123 PolarHBondContact O-N 3.13Å; L121-K124 PolarHBondContact O-N 3.41Å; L121-M125 HydrophobicContact CB-CE 3.95Å; L121-M125 VanDerWaalsContact O-CG 3.24Å; L121-M125 WeakPolarHBondContact O-CG 3.5Å; L121-M125 PolarHBondContact O-N 3.44Å; L121-E173 HydrophobicContact CD1-CB 4.24Å; L121-E173 HydrophobicContact CD2-CB 4.11Å; L121-F174 HydrophobicContact CD2-CB 3.82Å
122R98.5Very high97.8Very high70 Ų7034 Ų3426%0.26417%0.165SC..Hα-helixtrans-64-36.4177.3-167.9172.3-168.6163.33.3111.6D67 I71 W74 Q118 D119 L120 M125 R126D67-R122 IonicContact OD2-NH2 2.73Å; I71-R122 HydrophobicContact CD1-CG 3.83Å; I71-R122 HydrophobicContact CG1-CG 4.28Å; W74-R122 HydrophobicContact CD2-CG 4.28Å; W74-R122 HydrophobicContact CE3-CG 4.09Å; W74-R122 HydrophobicContact CH2-CB 4.06Å; W74-R122 HydrophobicContact CH2-CG 4.11Å; W74-R122 HydrophobicContact CZ2-CB 4.49Å; W74-R122 HydrophobicContact CZ2-CG 4.31Å; W74-R122 HydrophobicContact CZ3-CB 4.24Å; W74-R122 HydrophobicContact CZ3-CG 4Å; Q118-R122 VanDerWaalsContact O-CB 3.22Å; Q118-R122 WeakPolarHBondContact O-CB 3.49Å; Q118-R122 PolarHBondContact O-N 3.46Å; D119-R122 PolarHBondContact O-N 3.38Å; L120-R122 PolarHBondContact O-N 3.24Å; R122-M125 PolarHBondContact O-N 2.82Å; R122-R126 WeakPolarHBondContact O-CB 3.46Å; R122-R126 PolarHBondContact O-N 3.17Å
123T98.6Very high97.9Very high8 Ų838.6 Ų38.65%0.04919%0.186CC..Hα-helixtrans-63-46172.5-55.20000110.9P76 I80 L84 D119 L120 L121 M125 R126 E127P76-T123 HydrophobicContact CB-CG2 4.41Å; P76-T123 HydrophobicContact CG-CG2 4Å; I80-T123 HydrophobicContact CG2-CG2 3.75Å; L84-T123 HydrophobicContact CD2-CG2 3.84Å; D119-T123 WeakPolarHBondContact O-CB 3.45Å; D119-T123 PolarHBondContact O-N 2.94Å; D119-T123 PolarHBondContact O-OG1 2.92Å; L120-T123 WeakPolarHBondContact O-CB 3.39Å; L120-T123 PolarHBondContact O-N 3.47Å; L121-T123 VanDerWaalsContact C-N 3.3Å; L121-T123 PolarHBondContact O-N 3.13Å; T123-M125 VanDerWaalsContact C-N 3.34Å; T123-M125 PolarHBondContact O-N 2.63Å; T123-R126 WeakPolarHBondContact O-CB 3.43Å; T123-R126 PolarHBondContact O-N 3.25Å; T123-R126 VanDerWaalsContact O-N 3.13Å; T123-E127 WeakPolarHBondContact O-CG 3.38Å; T123-E127 PolarHBondContact O-N 2.97Å
124K98.4Very high97.9Very high22 Ų2238.8 Ų38.810%0.09619%0.187CC..Hα-helixtrans-62.4-37.8175.2-66.5-49.8-171.9179.10113.2D101 L120 L121 E127 C128 F174D101-K124 IonicContact OD1-NZ 3.8Å; L120-K124 PolarHBondContact O-N 3.41Å; L121-K124 PolarHBondContact O-N 3.41Å; K124-E127 WeakPolarHBondContact CD-OE2 3.29Å; K124-E127 WeakPolarHBondContact CE-OE2 3.25Å; K124-E127 IonicContact NZ-OE1 3.48Å; K124-E127 IonicContact NZ-OE2 3.78Å; K124-E127 PolarHBondContact NZ-OE2 3.19Å; K124-E127 PolarHBondContact O-N 3.34Å; K124-C128 PolarHBondContact O-N 3.35Å; K124-C128 PolarHBondContact O-SG 2.9Å; K124-C128 VanDerWaalsContact O-SG 3.34Å; K124-F174 HydrophobicContact CB-CD2 3.48Å; K124-F174 VanDerWaalsContact CB-CD2 3.48Å; K124-F174 HydrophobicContact CB-CE2 3.77Å; K124-F174 HydrophobicContact CB-CG 4.35Å; K124-F174 HydrophobicContact CD-CE2 4.44Å; K124-F174 HydrophobicContact CG-CD2 3.78Å; K124-F174 HydrophobicContact CG-CE2 4.13Å; K124-F174 HydrophobicContact CG-CG 4.21Å
125M98.6Very high97.9Very high8 Ų838.5 Ų38.54%0.03919%0.185CC..Hα-helixtrans-62.7-42.6172.5-63.2164-162.500111.5F62 K66 I68 I71 L121 R122 T123 E127 C128 E129 M177F62-M125 HydrophobicContact CE2-CE 3.88Å; F62-M125 HydrophobicContact CE2-CG 4.33Å; F62-M125 HydrophobicContact CE2-SD 3.81Å; F62-M125 HydrophobicContact CZ-CE 4.34Å; F62-M125 HydrophobicContact CZ-CG 3.84Å; F62-M125 HydrophobicContact CZ-SD 3.77Å; K66-M125 HydrophobicContact CB-SD 4.08Å; K66-M125 HydrophobicContact CD-CE 4.35Å; K66-M125 HydrophobicContact CD-SD 4.16Å; K66-M125 HydrophobicContact CG-CE 4.35Å; K66-M125 HydrophobicContact CG-SD 3.84Å; I68-M125 HydrophobicContact CD1-CB 4.18Å; I71-M125 HydrophobicContact CD1-CB 3.66Å; L121-M125 HydrophobicContact CB-CE 3.95Å; L121-M125 VanDerWaalsContact O-CG 3.24Å; L121-M125 WeakPolarHBondContact O-CG 3.5Å; L121-M125 PolarHBondContact O-N 3.44Å; R122-M125 PolarHBondContact O-N 2.82Å; T123-M125 VanDerWaalsContact C-N 3.34Å; T123-M125 PolarHBondContact O-N 2.63Å; M125-E127 VanDerWaalsContact C-N 3.34Å; M125-E127 PolarHBondContact O-N 3.03Å; M125-C128 WeakPolarHBondContact O-CB 3.35Å; M125-C128 PolarHBondContact O-N 3.35Å; M125-E129 PolarHBondContact O-N 3.06Å; M125-M177 HydrophobicContact CE-CG 3.85Å; M125-M177 HydrophobicContact CG-CE 3.64Å; M125-M177 HydrophobicContact CG-CG 4.25Å; M125-M177 HydrophobicContact CG-SD 3.72Å
126R98.7Very high98Very high48 Ų4840.9 Ų40.918%0.18121%0.205CC..Hα-helixtrans-60.2-43174.9-174.9177177.5-83.8-4.6112I71 I72 W74 R122 T123 C128 E129 L130I71-R126 HydrophobicContact CD1-CB 4.28Å; I71-R126 HydrophobicContact CG1-CB 4Å; I71-R126 HydrophobicContact CG1-CG 4.5Å; I71-R126 VanDerWaalsContact O-CD 3.28Å; I71-R126 WeakPolarHBondContact O-CD 3.31Å; I71-R126 WeakPolarHBondContact O-CG 3.37Å; I71-R126 PolarHBondContact O-NE 2.69Å; I72-R126 PolarHBondContact O-NE 2.64Å; I72-R126 PolarHBondContact O-NH2 3.42Å; W74-R126 WeakPolarHBondContact O-CD 2.99Å; W74-R126 PolarHBondContact O-NE 3.41Å; R122-R126 WeakPolarHBondContact O-CB 3.46Å; R122-R126 PolarHBondContact O-N 3.17Å; T123-R126 WeakPolarHBondContact O-CB 3.43Å; T123-R126 PolarHBondContact O-N 3.25Å; T123-R126 VanDerWaalsContact O-N 3.13Å; R126-C128 VanDerWaalsContact C-N 3.33Å; R126-C128 PolarHBondContact O-N 3.24Å; R126-E129 PolarHBondContact O-N 3.12Å; R126-L130 HydrophobicContact CG-CD1 4.38Å; R126-L130 WeakPolarHBondContact O-CG 3.37Å; R126-L130 PolarHBondContact O-N 3.24Å
127E98.5Very high98.1Very high27 Ų2744.5 Ų44.513%0.12621%0.214CC..Hα-helixtrans-60.7-41.4176.1-68.3169.7-176.900111.5W99 T123 K124 M125 L130 L131W99-E127 HydrophobicContact CH2-CB 3.8Å; W99-E127 HydrophobicContact CH2-CG 3.37Å; W99-E127 WeakPolarHBondContact CH2-OE2 3.23Å; W99-E127 HydrophobicContact CZ2-CB 4.28Å; W99-E127 HydrophobicContact CZ2-CG 3.97Å; W99-E127 WeakPolarHBondContact CZ2-OE2 3.36Å; W99-E127 HydrophobicContact CZ3-CB 4.04Å; W99-E127 HydrophobicContact CZ3-CG 4.02Å; T123-E127 WeakPolarHBondContact O-CG 3.38Å; T123-E127 PolarHBondContact O-N 2.97Å; K124-E127 WeakPolarHBondContact CD-OE2 3.29Å; K124-E127 WeakPolarHBondContact CE-OE2 3.25Å; K124-E127 IonicContact NZ-OE1 3.48Å; K124-E127 IonicContact NZ-OE2 3.78Å; K124-E127 PolarHBondContact NZ-OE2 3.19Å; K124-E127 PolarHBondContact O-N 3.34Å; M125-E127 VanDerWaalsContact C-N 3.34Å; M125-E127 PolarHBondContact O-N 3.03Å; E127-L130 PolarHBondContact O-N 3.3Å; E127-L131 WeakPolarHBondContact O-CG 3.49Å; E127-L131 PolarHBondContact O-N 3.43Å
128C98.5Very high98.3Very high10 Ų1040.7 Ų40.77%0.06820%0.198CC..Hα-helixtrans-60.2-46.8173.1-66.20000112.4K124 M125 R126 L130 L131 L132 Y182K124-C128 PolarHBondContact O-N 3.35Å; K124-C128 PolarHBondContact O-SG 2.9Å; K124-C128 VanDerWaalsContact O-SG 3.34Å; M125-C128 WeakPolarHBondContact O-CB 3.35Å; M125-C128 PolarHBondContact O-N 3.35Å; R126-C128 VanDerWaalsContact C-N 3.33Å; R126-C128 PolarHBondContact O-N 3.24Å; C128-L130 PolarHBondContact O-N 3.49Å; C128-L131 PolarHBondContact O-N 2.9Å; C128-L132 WeakPolarHBondContact O-CG 3.25Å; C128-L132 PolarHBondContact O-N 3.18Å; C128-Y182 HydrophobicContact CB-CD1 3.92Å; C128-Y182 HydrophobicContact CB-CD2 4.1Å; C128-Y182 HydrophobicContact CB-CE1 3.5Å; C128-Y182 VanDerWaalsContact CB-CE1 3.5Å; C128-Y182 HydrophobicContact CB-CE2 3.68Å; C128-Y182 HydrophobicContact CB-CG 4.21Å
129E98.6Very high98.4Very high20 Ų2035.5 Ų35.59%0.09318%0.175CC..Hα-helixtrans-65.3-37.5178.2-66.1-56.9124.200112.5R63 I68 I71 I72 M125 R126 L131 L132 Q133 Y182R63-E129 IonicContact NH1-OE2 2.92Å; I68-E129 HydrophobicContact CG2-CG 3.68Å; I68-E129 WeakPolarHBondContact CG2-OE1 2.88Å; I71-E129 HydrophobicContact CG2-CB 4.05Å; I71-E129 HydrophobicContact CG2-CG 3.62Å; I72-E129 HydrophobicContact CD1-CB 4.23Å; I72-E129 HydrophobicContact CG1-CB 4.02Å; M125-E129 PolarHBondContact O-N 3.06Å; R126-E129 PolarHBondContact O-N 3.12Å; E129-L131 VanDerWaalsContact C-N 3.34Å; E129-L131 PolarHBondContact O-N 3.45Å; E129-L132 PolarHBondContact O-N 2.94Å; E129-Q133 WeakPolarHBondContact O-CB 3.46Å; E129-Q133 PolarHBondContact O-N 2.91Å; E129-Y182 WeakPolarHBondContact OE1-CE1 3.09Å; E129-Y182 VanDerWaalsContact OE1-CZ 3.3Å; E129-Y182 PolarHBondContact OE1-OH 2.95Å
130L98.4Very high98.4Very high49 Ų4938.9 Ų38.926%0.25720%0.198SC..Hα-helixtrans-61.1-42.9173.5-76.6172.5000111.7I72 R126 E127 C128 Q133 E134I72-L130 HydrophobicContact CG2-CD2 3.97Å; R126-L130 HydrophobicContact CG-CD1 4.38Å; R126-L130 WeakPolarHBondContact O-CG 3.37Å; R126-L130 PolarHBondContact O-N 3.24Å; E127-L130 PolarHBondContact O-N 3.3Å; C128-L130 PolarHBondContact O-N 3.49Å; L130-Q133 PolarHBondContact O-N 3.18Å; L130-E134 WeakPolarHBondContact O-CB 3.43Å; L130-E134 PolarHBondContact O-N 3.11Å
131L98.4Very high98.4Very high16 Ų1644.6 Ų44.68%0.08422%0.222CC..Hα-helixtrans-64.4-39.2175.5-77.2166.7000112.2M88 P97 W99 E127 C128 E129 E134 C135 V149M88-L131 HydrophobicContact CB-CD2 4.47Å; M88-L131 HydrophobicContact CG-CD2 3.93Å; M88-L131 HydrophobicContact SD-CD2 3.73Å; P97-L131 HydrophobicContact CB-CD2 3.91Å; W99-L131 HydrophobicContact CB-CD1 4.2Å; W99-L131 HydrophobicContact CB-CD2 4.34Å; W99-L131 HydrophobicContact CD2-CD1 4.28Å; W99-L131 HydrophobicContact CE3-CD1 3.99Å; W99-L131 HydrophobicContact CE3-CD2 4.27Å; W99-L131 HydrophobicContact CE3-CG 4.22Å; W99-L131 HydrophobicContact CG-CD1 4.37Å; E127-L131 WeakPolarHBondContact O-CG 3.49Å; E127-L131 PolarHBondContact O-N 3.43Å; C128-L131 PolarHBondContact O-N 2.9Å; E129-L131 VanDerWaalsContact C-N 3.34Å; E129-L131 PolarHBondContact O-N 3.45Å; L131-E134 PolarHBondContact O-N 2.96Å; L131-C135 PolarHBondContact O-N 2.91Å; L131-C135 PolarHBondContact O-SG 2.84Å; L131-C135 VanDerWaalsContact O-SG 3.42Å; L131-V149 HydrophobicContact CB-CG1 4.04Å; L131-V149 HydrophobicContact CD1-CG1 4.5Å; L131-V149 HydrophobicContact CD2-CG1 4.15Å; L131-V149 HydrophobicContact CG-CG1 4.48Å
132L98.1Very high98.4Very high42 Ų4247 Ų4722%0.2224%0.235CC..Hα-helixtrans-67.6-40.5175-70.1-174.3000112.3C128 E129 E134 C135 A136 Y182 T185C128-L132 WeakPolarHBondContact O-CG 3.25Å; C128-L132 PolarHBondContact O-N 3.18Å; E129-L132 PolarHBondContact O-N 2.94Å; L132-E134 PolarHBondContact O-N 3.24Å; L132-C135 WeakPolarHBondContact O-CB 3.28Å; L132-C135 PolarHBondContact O-N 2.99Å; L132-A136 PolarHBondContact O-N 2.78Å; L132-Y182 HydrophobicContact CD1-CD1 3.84Å; L132-Y182 HydrophobicContact CD1-CE1 3.73Å; L132-Y182 HydrophobicContact CG-CD1 4.44Å; L132-T185 HydrophobicContact CD2-CG2 3.79Å
133Q98.3Very high98.4Very high108 Ų10847.3 Ų47.351%0.50526%0.259SS..Hα-helixtrans-60.2-40.7172.9-174.2-17714.900110.4I72 E129 L130 A136 R137I72-Q133 HydrophobicContact CD1-CB 4.46Å; E129-Q133 WeakPolarHBondContact O-CB 3.46Å; E129-Q133 PolarHBondContact O-N 2.91Å; L130-Q133 PolarHBondContact O-N 3.18Å; Q133-A136 WeakPolarHBondContact O-CB 3.26Å; Q133-A136 PolarHBondContact O-N 3.31Å; Q133-R137 PolarHBondContact O-N 3.44Å
134E98.5Very high98.3Very high21 Ų2151.6 Ų51.610%0.09828%0.277CS..Hα-helixtrans-68.4-38.9178-171.854-141.500112.3M88 Y91 P97 L130 L131 L132 A136 R137 Q138M88-E134 HydrophobicContact CE-CB 4.08Å; M88-E134 HydrophobicContact CE-CG 3.86Å; M88-E134 HydrophobicContact SD-CB 3.74Å; M88-E134 HydrophobicContact SD-CG 3.66Å; Y91-E134 HydrophobicContact CE1-CG 3.73Å; Y91-E134 WeakPolarHBondContact CE1-OE1 3.11Å; Y91-E134 PolarHBondContact OH-OE1 2.86Å; P97-E134 HydrophobicContact CB-CB 4.48Å; P97-E134 HydrophobicContact CB-CG 4.04Å; P97-E134 HydrophobicContact CG-CB 4.02Å; P97-E134 HydrophobicContact CG-CG 3.7Å; L130-E134 WeakPolarHBondContact O-CB 3.43Å; L130-E134 PolarHBondContact O-N 3.11Å; L131-E134 PolarHBondContact O-N 2.96Å; L132-E134 PolarHBondContact O-N 3.24Å; E134-A136 VanDerWaalsContact C-N 3.32Å; E134-A136 PolarHBondContact O-N 3.17Å; E134-R137 VanDerWaalsContact CD-NE 3.3Å; E134-R137 PolarHBondContact O-N 3.02Å; E134-R137 IonicContact OE1-CZ 3.1Å; E134-R137 IonicContact OE1-NE 2.8Å; E134-R137 PolarHBondContact OE1-NE 2.8Å; E134-R137 IonicContact OE1-NH2 2.65Å; E134-R137 PolarHBondContact OE1-NH2 2.9Å; E134-R137 IonicContact OE2-CZ 3.99Å; E134-R137 IonicContact OE2-NE 3.03Å; E134-R137 PolarHBondContact OE2-NE 3.06Å; E134-Q138 WeakPolarHBondContact O-CB 3.41Å; E134-Q138 WeakPolarHBondContact O-CG 3.27Å; E134-Q138 PolarHBondContact O-N 3.33Å
135C98.6Very high98.3Very high4 Ų454 Ų543%0.02729%0.288CS..Hα-helixtrans-56.8-43.1168.7-81.10000112.1P97 L131 L132 Q138 T139 V146P97-C135 VanDerWaalsContact CD-SG 3.57Å; L131-C135 PolarHBondContact O-N 2.91Å; L131-C135 PolarHBondContact O-SG 2.84Å; L131-C135 VanDerWaalsContact O-SG 3.42Å; L132-C135 WeakPolarHBondContact O-CB 3.28Å; L132-C135 PolarHBondContact O-N 2.99Å; C135-Q138 PolarHBondContact O-N 2.81Å; C135-T139 WeakPolarHBondContact O-CB 3.05Å; C135-T139 PolarHBondContact O-N 2.76Å; C135-T139 PolarHBondContact O-OG1 3.25Å; C135-V146 CarbonylContact C-O 3.51Å; C135-V146 HydrophobicContact CB-CG1 4.31Å; C135-V146 WeakPolarHBondContact CB-O 3.43Å
136A98.1Very high98.3Very high56 Ų5654 Ų5446%0.46329%0.288SS..Hα-helixtrans-64.1-44175.900000111.6L132 Q133 E134 Q138 T139 T140L132-A136 PolarHBondContact O-N 2.78Å; Q133-A136 WeakPolarHBondContact O-CB 3.26Å; Q133-A136 PolarHBondContact O-N 3.31Å; E134-A136 VanDerWaalsContact C-N 3.32Å; E134-A136 PolarHBondContact O-N 3.17Å; A136-Q138 PolarHBondContact O-N 3.14Å; A136-T139 WeakPolarHBondContact O-CB 3.44Å; A136-T139 PolarHBondContact O-N 3.3Å; A136-T140 PolarHBondContact O-N 3Å; A136-T140 VanDerWaalsContact O-N 3.08Å; A136-T140 PolarHBondContact O-OG1 3.39Å
137R98.4Very high98.2Very high106 Ų10652.8 Ų52.840%0.428%0.284SS..Hα-helixtrans-60.3-44.3175.8-163.8-171.373.170.614111.8Y91 Q133 E134 T139 T140 K141Y91-R137 PolarHBondContact OH-NH2 2.8Å; Q133-R137 PolarHBondContact O-N 3.44Å; E134-R137 VanDerWaalsContact CD-NE 3.3Å; E134-R137 PolarHBondContact O-N 3.02Å; E134-R137 IonicContact OE1-CZ 3.1Å; E134-R137 IonicContact OE1-NE 2.8Å; E134-R137 PolarHBondContact OE1-NE 2.8Å; E134-R137 IonicContact OE1-NH2 2.65Å; E134-R137 PolarHBondContact OE1-NH2 2.9Å; E134-R137 IonicContact OE2-CZ 3.99Å; E134-R137 IonicContact OE2-NE 3.03Å; E134-R137 PolarHBondContact OE2-NE 3.06Å; R137-T139 VanDerWaalsContact C-N 3.33Å; R137-T140 PolarHBondContact O-N 2.93Å; R137-K141 WeakPolarHBondContact O-CB 3.3Å; R137-K141 PolarHBondContact O-N 2.89Å
138Q98.6Very high98.2Very high4 Ų452.6 Ų52.62%0.01929%0.285CS..Hα-helixtrans-66.8-34.6176.6-73.7-71.8103.700112.1Y91 G95 E134 C135 A136 K141 L142 V146Y91-Q138 VanDerWaalsContact CD1-CD 3.44Å; Y91-Q138 HydrophobicContact CD1-CG 3.65Å; Y91-Q138 VanDerWaalsContact CD1-NE2 3.31Å; Y91-Q138 VanDerWaalsContact CE1-CD 3.43Å; Y91-Q138 HydrophobicContact CE1-CG 3.46Å; Y91-Q138 VanDerWaalsContact CE1-CG 3.46Å; G95-Q138 PolarHBondContact O-NE2 2.6Å; E134-Q138 WeakPolarHBondContact O-CB 3.41Å; E134-Q138 WeakPolarHBondContact O-CG 3.27Å; E134-Q138 PolarHBondContact O-N 3.33Å; C135-Q138 PolarHBondContact O-N 2.81Å; A136-Q138 PolarHBondContact O-N 3.14Å; Q138-K141 PolarHBondContact O-N 3.04Å; Q138-L142 WeakPolarHBondContact O-CB 3.36Å; Q138-L142 WeakPolarHBondContact O-CG 3.48Å; Q138-L142 PolarHBondContact O-N 2.65Å; Q138-V146 HydrophobicContact CB-CB 4.15Å; Q138-V146 HydrophobicContact CB-CG1 4.21Å; Q138-V146 HydrophobicContact CB-CG2 4.1Å
139T98.4Very high98.2Very high32 Ų3252.2 Ų52.220%0.19628%0.282CS..Hα-helixtrans-59.1-49.9173.4-64.50000111.2C135 A136 R137 G143 K144 K145 V146C135-T139 WeakPolarHBondContact O-CB 3.05Å; C135-T139 PolarHBondContact O-N 2.76Å; C135-T139 PolarHBondContact O-OG1 3.25Å; A136-T139 WeakPolarHBondContact O-CB 3.44Å; A136-T139 PolarHBondContact O-N 3.3Å; R137-T139 VanDerWaalsContact C-N 3.33Å; T139-G143 PolarHBondContact O-N 3.04Å; T139-K144 VanDerWaalsContact CA-O 3.26Å; T139-K144 WeakPolarHBondContact CA-O 3.47Å; T139-K145 HydrophobicContact CG2-CD 4.24Å; T139-V146 PolarHBondContact OG1-N 3.11Å; T139-V146 PolarHBondContact OG1-O 2.87Å; T139-V146 VanDerWaalsContact OG1-O 3.09Å
140T98.2Very high98.3Very high121 Ų12151.3 Ų51.374%0.74228%0.278SS*.Hα-helixtrans-62.5-46.3176.9-56.30000111.5A136 R137 L142A136-T140 PolarHBondContact O-N 3Å; A136-T140 VanDerWaalsContact O-N 3.08Å; A136-T140 PolarHBondContact O-OG1 3.39Å; R137-T140 PolarHBondContact O-N 2.93Å; T140-L142 PolarHBondContact O-N 3.4Å
141K98.4Very high98.3Very high141 Ų14150.1 Ų50.161%0.61327%0.272SS*.Hα-helixtrans-62.2-40.1-177.5-176-176.5176.2-172.80112.9R137 Q138R137-K141 WeakPolarHBondContact O-CB 3.3Å; R137-K141 PolarHBondContact O-N 2.89Å; Q138-K141 PolarHBondContact O-N 3.04Å
142L98.1Very high98.3Very high75 Ų7549.3 Ų49.339%0.39327%0.268SS..Hα-helixtrans-97.3-8.2-172.1-60.1175.5000113.5Q138 T140 K144 V146Q138-L142 WeakPolarHBondContact O-CB 3.36Å; Q138-L142 WeakPolarHBondContact O-CG 3.48Å; Q138-L142 PolarHBondContact O-N 2.65Å; T140-L142 PolarHBondContact O-N 3.4Å; L142-K144 HydrophobicContact CB-CG 3.91Å; L142-K144 PolarHBondContact O-N 3.27Å; L142-V146 HydrophobicContact CD1-CG2 4.23Å
143G97.7Very high98.3Very high75 Ų7549 Ų4977%0.77326%0.264SS*.THydrogen-bonded Turntrans64.517.4-17600000114T139T139-G143 PolarHBondContact O-N 3.04Å
144K96.9Very high98.4Very high99 Ų9944 Ų4443%0.4324%0.241SC..SBendtrans-136.9147.6178.468.9176.9-174.8172.90109.9D94 T139 L142 V146D94-K144 WeakPolarHBondContact O-CE 3.49Å; D94-K144 PolarHBondContact O-NZ 2.9Å; T139-K144 VanDerWaalsContact CA-O 3.26Å; T139-K144 WeakPolarHBondContact CA-O 3.47Å; L142-K144 HydrophobicContact CB-CG 3.91Å; L142-K144 PolarHBondContact O-N 3.27Å; K144-V146 PolarHBondContact O-N 2.96Å
145K97.8Very high98.3Very high73 Ų7343.1 Ų43.132%0.31724%0.237SC..  trans-64.4124.3-179.6-17078.9177-171.60111.1D34 Y36 T139 E147D34-K145 IonicContact OD1-NZ 2.64Å; D34-K145 IonicContact OD2-NZ 3.16Å; D34-K145 PolarHBondContact OD2-NZ 3.41Å; Y36-K145 VanDerWaalsContact CB-CE 3.48Å; Y36-K145 HydrophobicContact CD1-CB 4.13Å; Y36-K145 HydrophobicContact CD1-CD 3.8Å; Y36-K145 HydrophobicContact CD1-CG 3.51Å; Y36-K145 HydrophobicContact CD2-CD 3.87Å; Y36-K145 HydrophobicContact CD2-CG 4.48Å; Y36-K145 HydrophobicContact CE1-CB 3.66Å; Y36-K145 HydrophobicContact CE1-CD 3.99Å; Y36-K145 HydrophobicContact CE1-CG 3.59Å; Y36-K145 HydrophobicContact CE2-CD 4.09Å; Y36-K145 HydrophobicContact CG-CD 3.72Å; Y36-K145 VanDerWaalsContact CG-CE 3.5Å; Y36-K145 HydrophobicContact CG-CG 3.98Å; T139-K145 HydrophobicContact CG2-CD 4.24Å; K145-E147 HydrophobicContact CG-CB 4.39Å
146V98.5Very high98.3Very high6 Ų648.1 Ų48.14%0.03626%0.259CS..  trans-115.7116.7166.6-179.80000106.9C135 Q138 T139 L142 K144C135-V146 CarbonylContact C-O 3.51Å; C135-V146 HydrophobicContact CB-CG1 4.31Å; C135-V146 WeakPolarHBondContact CB-O 3.43Å; Q138-V146 HydrophobicContact CB-CB 4.15Å; Q138-V146 HydrophobicContact CB-CG1 4.21Å; Q138-V146 HydrophobicContact CB-CG2 4.1Å; T139-V146 PolarHBondContact OG1-N 3.11Å; T139-V146 PolarHBondContact OG1-O 2.87Å; T139-V146 VanDerWaalsContact OG1-O 3.09Å; L142-V146 HydrophobicContact CD1-CG2 4.23Å; K144-V146 PolarHBondContact O-N 2.96Å
147E97.9Very high98.3Very high24 Ų2447.8 Ų47.811%0.11226%0.262CS..  trans-136.68.2-177.768.2173-168.800113.2Y36 R43 K145Y36-E147 WeakPolarHBondContact CB-OE2 2.92Å; R43-E147 IonicContact CZ-OE1 2.6Å; R43-E147 IonicContact NH2-OE1 2.78Å; R43-E147 PolarHBondContact NH2-OE1 2.89Å; K145-E147 HydrophobicContact CG-CB 4.39Å
148T98.6Very high98.2Very high22 Ų2243.5 Ų43.514%0.13525%0.247CC..  trans-131.8157.8-17762.80000111.7C96 E184 T185C96-T148 VanDerWaalsContact CB-O 3.23Å; C96-T148 WeakPolarHBondContact CB-O 3.48Å; C96-T148 PolarHBondContact SG-O 3.42Å; C96-T148 VanDerWaalsContact SG-O 3.35Å; C96-T148 PolarHBondContact SG-OG1 3.38Å; T148-E184 WeakPolarHBondContact CG2-O 3.42Å; T148-T185 CarbonylContact C-O 3.58Å; T148-T185 WeakPolarHBondContact CA-O 3.37Å; T148-T185 VanDerWaalsContact CB-O 3.28Å; T148-T185 WeakPolarHBondContact CB-O 3.45Å
149V98.6Very high98.1Very high2 Ų244.3 Ų44.31%0.01226%0.257CS..EExtended strand (participates in β ladder)trans-124.5146.5-174.8-570000111.6L131 I151 T185 K187L131-V149 HydrophobicContact CB-CG1 4.04Å; L131-V149 HydrophobicContact CD1-CG1 4.5Å; L131-V149 HydrophobicContact CD2-CG1 4.15Å; L131-V149 HydrophobicContact CG-CG1 4.48Å; V149-I151 HydrophobicContact CG2-CG1 4.43Å; V149-T185 HydrophobicContact CG1-CG2 4.41Å; V149-T185 HydrophobicContact CG2-CG2 4.43Å; V149-T185 PolarHBondContact N-O 3.17Å; V149-K187 VanDerWaalsContact O-CB 3.26Å; V149-K187 WeakPolarHBondContact O-CB 3.43Å; V149-K187 PolarHBondContact O-N 3.07Å
150T98.9Very high98Very high2 Ų245.3 Ų45.31%0.01226%0.26CS..EExtended strand (participates in β ladder)trans-100.2132.7171-72.60000108.6D92 P97 V98 W99 R188 F190 I232D92-T150 PolarHBondContact OD2-OG1 2.79Å; P97-T150 PolarHBondContact O-N 2.89Å; V98-T150 CarbonylContact C-O 3.5Å; V98-T150 VanDerWaalsContact CA-O 3.27Å; V98-T150 WeakPolarHBondContact CA-O 3.41Å; V98-T150 HydrophobicContact CG1-CG2 4.46Å; V98-T150 HydrophobicContact CG2-CG2 4.47Å; W99-T150 PolarHBondContact N-O 3.47Å; T150-R188 WeakPolarHBondContact CA-O 3.32Å; T150-F190 HydrophobicContact CG2-CD2 3.95Å; T150-F190 HydrophobicContact CG2-CE2 3.85Å; T150-I232 HydrophobicContact CG2-CD1 4.48Å
151I98.8Very high97.8Very high23 Ų2344.9 Ų44.912%0.11825%0.248CC..EExtended strand (participates in β ladder)trans-111.9132.4177.7-58.8-178.5000108.9W99 V149 Y153 L186 R188 L189 F190W99-I151 HydrophobicContact CB-CG1 4.36Å; W99-I151 CarbonylContact O-C 3.52Å; W99-I151 WeakPolarHBondContact O-CA 3.35Å; V149-I151 HydrophobicContact CG2-CG1 4.43Å; I151-Y153 HydrophobicContact CG2-CD2 4.44Å; I151-L186 HydrophobicContact CB-CD1 4.44Å; I151-L186 HydrophobicContact CD1-CD1 3.74Å; I151-L186 HydrophobicContact CG1-CD1 3.87Å; I151-R188 PolarHBondContact N-O 3.45Å; I151-L189 HydrophobicContact CB-CB 4.31Å; I151-L189 HydrophobicContact CB-CD1 4.41Å; I151-L189 HydrophobicContact CB-CG 4.03Å; I151-L189 HydrophobicContact CG2-CD1 4.22Å; I151-L189 HydrophobicContact CG2-CG 4.02Å; I151-L189 CarbonylContact O-C 3.52Å; I151-L189 WeakPolarHBondContact O-CA 3.37Å; I151-F190 PolarHBondContact O-N 3.3Å
152I98.9Very high97.8Very high0 Ų039.1 Ų39.10%022%0.223CC..EExtended strand (participates in β ladder)trans-108116.5166.9-66.2170.5000107.4V98 W99 Y100 D101 V192 L228 I232 Y241V98-I152 HydrophobicContact CG1-CD1 3.84Å; V98-I152 HydrophobicContact CG1-CG1 4.17Å; W99-I152 PolarHBondContact O-N 2.9Å; Y100-I152 WeakPolarHBondContact CA-O 3.38Å; Y100-I152 HydrophobicContact CD1-CB 3.84Å; Y100-I152 HydrophobicContact CD1-CD1 4.3Å; Y100-I152 HydrophobicContact CD1-CG2 3.87Å; Y100-I152 HydrophobicContact CE1-CB 3.91Å; Y100-I152 HydrophobicContact CE1-CD1 3.49Å; Y100-I152 VanDerWaalsContact CE1-CD1 3.49Å; Y100-I152 HydrophobicContact CE1-CG1 4.28Å; Y100-I152 HydrophobicContact CE1-CG2 3.93Å; Y100-I152 HydrophobicContact CE2-CD1 4.38Å; Y100-I152 HydrophobicContact CG-CB 4.43Å; Y100-I152 WeakPolarHBondContact OH-CD1 3.11Å; D101-I152 PolarHBondContact N-O 3.32Å; I152-V192 HydrophobicContact CG2-CG2 4.24Å; I152-L228 HydrophobicContact CD1-CD1 4.04Å; I152-L228 HydrophobicContact CD1-CD2 3.95Å; I152-L228 HydrophobicContact CG1-CD2 4Å; I152-I232 HydrophobicContact CD1-CD1 3.73Å; I152-Y241 HydrophobicContact CG2-CD1 4.37Å; I152-Y241 HydrophobicContact CG2-CE1 4.46Å
153Y98.7Very high97.7Very high34 Ų3435.7 Ų35.713%0.13321%0.206CC..EExtended strand (participates in β ladder)trans-109.399.2-175.7-152.5-97.6000108.5D101 I103 I151 C155 Y171 L189 F190 V191 V192D101-Y153 HydrophobicContact CB-CD2 3.58Å; D101-Y153 HydrophobicContact CB-CE2 3.59Å; D101-Y153 HydrophobicContact CB-CG 4.49Å; I103-Y153 HydrophobicContact CD1-CD1 4.45Å; I103-Y153 HydrophobicContact CD1-CE1 3.67Å; I103-Y153 HydrophobicContact CD1-CE2 3.87Å; I103-Y153 VanDerWaalsContact CD1-OH 3.22Å; I103-Y153 WeakPolarHBondContact CD1-OH 3.33Å; I103-Y153 HydrophobicContact CG1-CD1 4.01Å; I103-Y153 HydrophobicContact CG1-CE1 3.45Å; I103-Y153 VanDerWaalsContact CG1-CE1 3.45Å; I103-Y153 HydrophobicContact CG1-CE2 4.46Å; I151-Y153 HydrophobicContact CG2-CD2 4.44Å; Y153-C155 VanDerWaalsContact CD1-SG 3.56Å; Y153-C155 PolarHBondContact O-N 3.23Å; Y153-Y171 WeakPolarHBondContact CE2-OH 3.23Å; Y153-Y171 PolarHBondContact OH-OH 3.13Å; Y153-L189 HydrophobicContact CG-CD2 4.48Å; Y153-F190 PolarHBondContact N-O 3.33Å; Y153-V191 WeakPolarHBondContact O-CA 3.36Å; Y153-V192 PolarHBondContact O-N 3.36Å
154D98.8Very high97.6Very high5 Ų532.9 Ų32.93%0.02717%0.171CC..EExtended strand (participates in β ladder)trans-83.8102.7-177.7-172.2-11.8000110.6D101 I102 I103 E156 V192 K193 Y241D101-D154 PolarHBondContact O-N 2.85Å; I102-D154 HydrophobicContact CD1-CB 4.03Å; I102-D154 HydrophobicContact CG2-CB 4.49Å; I103-D154 WeakPolarHBondContact CB-O 3.23Å; I103-D154 WeakPolarHBondContact CG1-O 3.24Å; I103-D154 PolarHBondContact N-O 3.17Å; D154-E156 VanDerWaalsContact OD1-CB 3.29Å; D154-E156 WeakPolarHBondContact OD1-CB 3.45Å; D154-E156 PolarHBondContact OD1-N 3.4Å; D154-V192 HydrophobicContact CB-CG2 4.03Å; D154-K193 VanDerWaalsContact CG-CE 3.44Å; D154-K193 VanDerWaalsContact CG-NZ 3.31Å; D154-K193 WeakPolarHBondContact OD1-CE 3.4Å; D154-K193 IonicContact OD1-NZ 3.87Å; D154-K193 PolarHBondContact OD1-NZ 3.14Å; D154-K193 VanDerWaalsContact OD1-NZ 3.16Å; D154-K193 VanDerWaalsContact OD2-CE 3.31Å; D154-K193 WeakPolarHBondContact OD2-CE 3.36Å; D154-K193 IonicContact OD2-NZ 2.77Å; D154-K193 PolarHBondContact OD2-NZ 3.18Å; D154-Y241 HydrophobicContact CB-CE1 4.1Å; D154-Y241 VanDerWaalsContact OD2-CE1 3.26Å; D154-Y241 WeakPolarHBondContact OD2-CE1 3.33Å; D154-Y241 PolarHBondContact OD2-OH 3.16Å
155C98.4Very high97.4Very high1 Ų130.6 Ų30.61%0.00716%0.161CC..  trans-91.77.3-179.4-79.40000113.4Y153 G157 L158 V191 V192 K193 A194 P195Y153-C155 VanDerWaalsContact CD1-SG 3.56Å; Y153-C155 PolarHBondContact O-N 3.23Å; C155-G157 PolarHBondContact O-N 3.44Å; C155-L158 HydrophobicContact CB-CB 4.31Å; C155-L158 HydrophobicContact CB-CD2 4.47Å; C155-L158 WeakPolarHBondContact O-CB 3.34Å; C155-L158 PolarHBondContact O-N 3.5Å; C155-V191 HydrophobicContact CB-CG1 4.17Å; C155-V192 PolarHBondContact N-O 3.31Å; C155-K193 CarbonylContact C-O 3.57Å; C155-A194 HydrophobicContact CB-CB 4.32Å; C155-P195 VanDerWaalsContact O-CD 3.31Å; C155-P195 WeakPolarHBondContact O-CD 3.23Å
156E98.1Very high97.3Very high109 Ų10927.6 Ų27.651%0.50915%0.149SC..THydrogen-bonded Turntrans-57.8129.5173.9-173.5172.3-161.100109.7G104 D154 L158 K193G104-E156 WeakPolarHBondContact CA-O 3.4Å; G104-E156 PolarHBondContact N-O 2.84Å; G104-E156 VanDerWaalsContact N-O 3.17Å; D154-E156 VanDerWaalsContact OD1-CB 3.29Å; D154-E156 WeakPolarHBondContact OD1-CB 3.45Å; D154-E156 PolarHBondContact OD1-N 3.4Å; E156-L158 VanDerWaalsContact C-N 3.3Å; E156-L158 PolarHBondContact O-N 3.32Å; E156-K193 HydrophobicContact CB-CB 3.8Å; E156-K193 HydrophobicContact CB-CD 3.97Å; E156-K193 HydrophobicContact CG-CD 4.42Å; E156-K193 PolarHBondContact N-O 3.19Å; E156-K193 WeakPolarHBondContact OE2-CD 3.24Å; E156-K193 WeakPolarHBondContact OE2-CE 3.16Å; E156-K193 IonicContact OE2-NZ 2.83Å; E156-K193 PolarHBondContact OE2-NZ 3.39Å
157G96.6Very high97.1Very high50 Ų5028 Ų2852%0.51515%0.153SC..THydrogen-bonded Turntrans78.63.6-176.400000115.3C155 G159 H162C155-G157 PolarHBondContact O-N 3.44Å; G157-G159 PolarHBondContact O-N 3.25Å; G157-H162 PolarHBondContact O-CE1 3Å; G157-H162 VanDerWaalsContact O-CE1 3.31Å
158L97.9Very high97Very high15 Ų1527.7 Ų27.78%0.07915%0.153CC..  trans-55.9106.3168.8170.569.5000109.8I103 C155 E156 H162 P195 F198 A201I103-L158 HydrophobicContact CG2-CB 4.45Å; I103-L158 HydrophobicContact CG2-CD1 3.98Å; C155-L158 HydrophobicContact CB-CB 4.31Å; C155-L158 HydrophobicContact CB-CD2 4.47Å; C155-L158 WeakPolarHBondContact O-CB 3.34Å; C155-L158 PolarHBondContact O-N 3.5Å; E156-L158 VanDerWaalsContact C-N 3.3Å; E156-L158 PolarHBondContact O-N 3.32Å; L158-H162 HydrophobicContact CD1-CB 3.9Å; L158-P195 HydrophobicContact CB-CG 3.71Å; L158-P195 HydrophobicContact CD2-CG 4.27Å; L158-P195 HydrophobicContact CG-CG 4.23Å; L158-P195 WeakPolarHBondContact O-CG 3.34Å; L158-F198 HydrophobicContact CD2-CB 4.16Å; L158-F198 HydrophobicContact CD2-CD2 4.18Å; L158-A201 HydrophobicContact CD1-CB 4.31Å; L158-A201 HydrophobicContact CD2-CB 3.92Å
159G96.3Very high96.8Very high22 Ų2231.1 Ų31.123%0.22717%0.168CC..  trans-128-177.7179.600000113.6G157 K161 H162G157-G159 PolarHBondContact O-N 3.25Å; G159-K161 PolarHBondContact O-N 3.43Å; G159-K161 VanDerWaalsContact O-N 3.12Å; G159-H162 PolarHBondContact N-CE1 2.87Å; G159-H162 PolarHBondContact N-ND1 3.28Å; G159-H162 PolarHBondContact O-N 3.35Å; G159-H162 PolarHBondContact O-ND1 3.45Å
160L95.6Very high96.7Very high52 Ų5231.6 Ų31.627%0.27217%0.172SC..G310 helixtrans-52.9-33.1-177.2-72.9-176.7000114.2H162 L163 L197 V302 T352L160-H162 PolarHBondContact O-N 3.31Å; L160-H162 VanDerWaalsContact O-N 3.1Å; L160-L163 HydrophobicContact CD2-CD1 4.16Å; L160-L163 WeakPolarHBondContact O-CB 3.47Å; L160-L163 PolarHBondContact O-N 3.48Å; L160-L197 HydrophobicContact CD2-CD1 4.08Å; L160-L197 HydrophobicContact CD2-CD2 4.16Å; L160-V302 HydrophobicContact CD2-CG1 3.88Å; L160-V302 HydrophobicContact CD2-CG2 3.9Å; L160-T352 WeakPolarHBondContact CB-OG1 3.36Å
161K94.6Very high96.6Very high112 Ų11234.5 Ų34.549%0.48718%0.183SC..G310 helixtrans-55.2-28.1176.167.8176-175.4170.30114.1G104 G159 L163G104-K161 WeakPolarHBondContact O-CE 3.43Å; G104-K161 PolarHBondContact O-NZ 3.03Å; G159-K161 PolarHBondContact O-N 3.43Å; G159-K161 VanDerWaalsContact O-N 3.12Å; K161-L163 VanDerWaalsContact C-N 3.31Å
162H97.4Very high96.5Very high21 Ų2133.4 Ų33.410%0.09718%0.178CC..G310 helixtrans-82.6-10.1180-48.495.8000112.9I103 G157 L158 G159 L160 W164I103-H162 PolarHBondContact O-NE2 2.91Å; G157-H162 PolarHBondContact O-CE1 3Å; G157-H162 VanDerWaalsContact O-CE1 3.31Å; L158-H162 HydrophobicContact CD1-CB 3.9Å; G159-H162 PolarHBondContact N-CE1 2.87Å; G159-H162 PolarHBondContact N-ND1 3.28Å; G159-H162 PolarHBondContact O-N 3.35Å; G159-H162 PolarHBondContact O-ND1 3.45Å; L160-H162 PolarHBondContact O-N 3.31Å; L160-H162 VanDerWaalsContact O-N 3.1Å; H162-W164 VanDerWaalsContact C-N 3.31Å
163L96.8Very high96.4Very high3 Ų337.1 Ų37.12%0.01620%0.195CC..G310 helixtrans-90.43.5178.8-51.3-173.2000112.7L160 K161 K165 L197 V200 A201 L204 V302 R304 L384L160-L163 HydrophobicContact CD2-CD1 4.16Å; L160-L163 WeakPolarHBondContact O-CB 3.47Å; L160-L163 PolarHBondContact O-N 3.48Å; K161-L163 VanDerWaalsContact C-N 3.31Å; L163-K165 PolarHBondContact O-N 3.02Å; L163-L197 HydrophobicContact CD1-CD1 4Å; L163-L197 HydrophobicContact CD1-CD2 4.11Å; L163-L197 HydrophobicContact CD1-CG 4.28Å; L163-L197 HydrophobicContact CG-CD2 4.42Å; L163-V200 HydrophobicContact CD1-CG1 4.14Å; L163-A201 HydrophobicContact CD2-CB 3.93Å; L163-L204 HydrophobicContact CD2-CD1 3.78Å; L163-V302 HydrophobicContact CD1-CB 4.41Å; L163-V302 HydrophobicContact CD1-CG1 4.14Å; L163-V302 HydrophobicContact CD1-CG2 4.18Å; L163-R304 WeakPolarHBondContact O-CD 3.22Å; L163-R304 PolarHBondContact O-NH1 3.42Å; L163-L384 HydrophobicContact CB-CD1 4.41Å; L163-L384 HydrophobicContact CD1-CD1 4.33Å
164W95.4Very high96.4Very high15 Ų1536.8 Ų36.86%0.05719%0.194CC..  trans-55.5124.5173.2-178.257.5000110K109 L112 F113 H162 P166 A167 V168 V274 D350K109-W164 HydrophobicContact CB-CE3 4.14Å; K109-W164 HydrophobicContact CB-CZ3 4.08Å; K109-W164 HydrophobicContact CD-CZ2 4.41Å; K109-W164 HydrophobicContact CG-CE3 4.25Å; K109-W164 HydrophobicContact CG-CH2 3.97Å; K109-W164 HydrophobicContact CG-CZ2 4.21Å; K109-W164 HydrophobicContact CG-CZ3 3.97Å; L112-W164 HydrophobicContact CB-CH2 4.26Å; L112-W164 HydrophobicContact CB-CZ3 3.89Å; L112-W164 HydrophobicContact CD1-CE3 4.18Å; L112-W164 HydrophobicContact CD1-CH2 4.34Å; L112-W164 HydrophobicContact CD1-CZ3 3.52Å; L112-W164 HydrophobicContact CG-CZ3 4.32Å; F113-W164 HydrophobicContact CD1-CH2 4.27Å; F113-W164 AromaticContact CE1-CH2 3.73Å; F113-W164 HydrophobicContact CE1-CH2 3.73Å; F113-W164 HydrophobicContact CE1-CZ2 4.08Å; H162-W164 VanDerWaalsContact C-N 3.31Å; W164-P166 HydrophobicContact CD2-CB 4.23Å; W164-P166 HydrophobicContact CD2-CG 4.05Å; W164-P166 HydrophobicContact CE3-CB 4.05Å; W164-P166 HydrophobicContact CE3-CG 4.36Å; W164-P166 HydrophobicContact CH2-CB 3.76Å; W164-P166 HydrophobicContact CH2-CG 3.88Å; W164-P166 HydrophobicContact CZ2-CB 3.96Å; W164-P166 HydrophobicContact CZ2-CG 3.53Å; W164-P166 HydrophobicContact CZ3-CB 3.82Å; W164-P166 HydrophobicContact CZ3-CG 4.29Å; W164-A167 HydrophobicContact CE3-CB 4Å; W164-A167 WeakPolarHBondContact O-CB 3.45Å; W164-A167 PolarHBondContact O-N 2.96Å; W164-V168 PolarHBondContact O-N 2.7Å; W164-V168 VanDerWaalsContact O-N 3.1Å; W164-V274 HydrophobicContact CH2-CB 4.44Å; W164-V274 HydrophobicContact CH2-CG2 3.84Å; W164-V274 HydrophobicContact CZ2-CG2 4.42Å; W164-D350 VanDerWaalsContact CD1-OD2 3.23Å; W164-D350 PolarHBondContact NE1-OD1 3.38Å
165K93.8Very high96.3Very high51 Ų5137.2 Ų37.222%0.22220%0.196CC..Hα-helixtrans-55.2-47.4-165.2178.5171.1-178.3162.20113.7L163 A167 V168 E169 E382L163-K165 PolarHBondContact O-N 3.02Å; K165-A167 VanDerWaalsContact C-N 3.26Å; K165-A167 PolarHBondContact O-N 3.34Å; K165-V168 PolarHBondContact O-N 3.15Å; K165-V168 VanDerWaalsContact O-N 3.13Å; K165-E169 WeakPolarHBondContact CE-OE1 3.38Å; K165-E169 HydrophobicContact CG-CG 4.26Å; K165-E169 WeakPolarHBondContact CG-OE1 3.47Å; K165-E169 WeakPolarHBondContact O-CG 3.39Å; K165-E169 PolarHBondContact O-N 3.24Å; K165-E382 IonicContact NZ-OE1 2.68Å; K165-E382 PolarHBondContact NZ-OE1 2.87Å; K165-E382 VanDerWaalsContact NZ-OE1 3.15Å; K165-E382 IonicContact NZ-OE2 3.5Å
166P93.9Very high96.3Very high10 Ų1039.2 Ų39.27%0.06521%0.21CC..Hα-helixtrans-58.2-34175.9-28.737.7000114.6L112 W164 A170 V274 Q276L112-P166 HydrophobicContact CD1-CB 4.07Å; W164-P166 HydrophobicContact CD2-CB 4.23Å; W164-P166 HydrophobicContact CD2-CG 4.05Å; W164-P166 HydrophobicContact CE3-CB 4.05Å; W164-P166 HydrophobicContact CE3-CG 4.36Å; W164-P166 HydrophobicContact CH2-CB 3.76Å; W164-P166 HydrophobicContact CH2-CG 3.88Å; W164-P166 HydrophobicContact CZ2-CB 3.96Å; W164-P166 HydrophobicContact CZ2-CG 3.53Å; W164-P166 HydrophobicContact CZ3-CB 3.82Å; W164-P166 HydrophobicContact CZ3-CG 4.29Å; P166-A170 WeakPolarHBondContact O-CB 3.39Å; P166-A170 PolarHBondContact O-N 3.15Å; P166-V274 HydrophobicContact CB-CG1 4.44Å; P166-Q276 HydrophobicContact CG-CG 4.49Å; P166-Q276 VanDerWaalsContact CG-NE2 3.3Å
167A95.5Very high96.3Very high14 Ų1434.8 Ų34.812%0.11619%0.19CC..Hα-helixtrans-70.3-43.817600000111.5A108 L112 W164 K165 E169 A170 Y171A108-A167 HydrophobicContact CB-CB 3.7Å; L112-A167 HydrophobicContact CD1-CB 4.18Å; W164-A167 HydrophobicContact CE3-CB 4Å; W164-A167 WeakPolarHBondContact O-CB 3.45Å; W164-A167 PolarHBondContact O-N 2.96Å; K165-A167 VanDerWaalsContact C-N 3.26Å; K165-A167 PolarHBondContact O-N 3.34Å; A167-E169 VanDerWaalsContact C-N 3.35Å; A167-E169 PolarHBondContact O-N 3.3Å; A167-A170 PolarHBondContact O-N 3.24Å; A167-Y171 WeakPolarHBondContact O-CB 3.42Å; A167-Y171 PolarHBondContact O-N 3.47Å
168V95.8Very high96.3Very high18 Ų1833.6 Ų33.611%0.10917%0.17CC..Hα-helixtrans-62.4-42.6176.8176.90000110.9W164 K165 Y171 G172 L204W164-V168 PolarHBondContact O-N 2.7Å; W164-V168 VanDerWaalsContact O-N 3.1Å; K165-V168 PolarHBondContact O-N 3.15Å; K165-V168 VanDerWaalsContact O-N 3.13Å; V168-Y171 PolarHBondContact O-N 2.92Å; V168-G172 PolarHBondContact O-N 3.06Å; V168-L204 HydrophobicContact CG1-CB 3.97Å; V168-L204 HydrophobicContact CG1-CD1 4.15Å; V168-L204 HydrophobicContact CG1-CG 4.49Å; V168-L204 HydrophobicContact CG2-CD1 4.04Å
169E93.9Very high96.3Very high95 Ų9534.2 Ų34.244%0.44417%0.173SC..Hα-helixtrans-64-46.5176.6-72.5174.1173.100111.9K165 A167 Y171 G172 E173K165-E169 WeakPolarHBondContact CE-OE1 3.38Å; K165-E169 HydrophobicContact CG-CG 4.26Å; K165-E169 WeakPolarHBondContact CG-OE1 3.47Å; K165-E169 WeakPolarHBondContact O-CG 3.39Å; K165-E169 PolarHBondContact O-N 3.24Å; A167-E169 VanDerWaalsContact C-N 3.35Å; A167-E169 PolarHBondContact O-N 3.3Å; E169-Y171 VanDerWaalsContact C-N 3.29Å; E169-Y171 PolarHBondContact O-N 3.05Å; E169-G172 PolarHBondContact O-N 3.41Å; E169-E173 PolarHBondContact O-N 2.98Å
170A96.1Very high96.4Very high12 Ų1236.8 Ų36.810%0.09918%0.179CC..Hα-helixtrans-60.1-40.2176.400000112L112 K117 P166 A167 E173 F174L112-A170 HydrophobicContact CD2-CB 4.44Å; K117-A170 HydrophobicContact CD-CB 4.08Å; K117-A170 HydrophobicContact CG-CB 4.04Å; P166-A170 WeakPolarHBondContact O-CB 3.39Å; P166-A170 PolarHBondContact O-N 3.15Å; A167-A170 PolarHBondContact O-N 3.24Å; A170-E173 PolarHBondContact O-N 2.79Å; A170-F174 PolarHBondContact O-N 2.94Å; A170-F174 VanDerWaalsContact O-N 3.15Å
171Y97Very high96.5Very high62 Ų6234.5 Ų34.524%0.24317%0.167CC..Hα-helixtrans-70.6-38.2176.4-165.8-108.1000112.4Y153 A167 V168 E169 E173 F174 L175 I205Y153-Y171 WeakPolarHBondContact CE2-OH 3.23Å; Y153-Y171 PolarHBondContact OH-OH 3.13Å; A167-Y171 WeakPolarHBondContact O-CB 3.42Å; A167-Y171 PolarHBondContact O-N 3.47Å; V168-Y171 PolarHBondContact O-N 2.92Å; E169-Y171 VanDerWaalsContact C-N 3.29Å; E169-Y171 PolarHBondContact O-N 3.05Å; Y171-E173 VanDerWaalsContact C-N 3.34Å; Y171-E173 PolarHBondContact O-N 3.29Å; Y171-F174 AromaticContact CD2-CD1 3.84Å; Y171-F174 HydrophobicContact CD2-CD1 3.84Å; Y171-F174 HydrophobicContact CD2-CE1 4.48Å; Y171-F174 AromaticContact CE2-CD1 3.58Å; Y171-F174 HydrophobicContact CE2-CD1 3.58Å; Y171-F174 AromaticContact CE2-CE1 3.78Å; Y171-F174 HydrophobicContact CE2-CE1 3.78Å; Y171-F174 WeakPolarHBondContact O-CB 3.1Å; Y171-F174 PolarHBondContact O-N 3.39Å; Y171-L175 HydrophobicContact CD1-CD1 3.88Å; Y171-L175 HydrophobicContact CD1-CG 4.23Å; Y171-L175 HydrophobicContact CE1-CD1 3.71Å; Y171-L175 HydrophobicContact CE1-CD2 4.19Å; Y171-L175 HydrophobicContact CE1-CG 4.02Å; Y171-L175 WeakPolarHBondContact O-CG 3.36Å; Y171-L175 PolarHBondContact O-N 3.34Å; Y171-I205 HydrophobicContact CD1-CG2 3.84Å; Y171-I205 HydrophobicContact CE1-CG2 4.33Å
172G97.4Very high96.7Very high1 Ų129.3 Ų29.31%0.0114%0.144CC..Hα-helixtrans-59.8-41.9172.800000112.6V168 E169 F174 L175 C176 F208V168-G172 PolarHBondContact O-N 3.06Å; E169-G172 PolarHBondContact O-N 3.41Å; G172-F174 VanDerWaalsContact C-N 3.35Å; G172-F174 PolarHBondContact O-N 2.93Å; G172-L175 PolarHBondContact O-N 2.85Å; G172-C176 PolarHBondContact O-N 2.82Å; G172-C176 PolarHBondContact O-SG 3.45Å; G172-F208 VanDerWaalsContact CA-CD2 3.41Å
173E97.4Very high96.7Very high78 Ų7828.6 Ų28.636%0.36414%0.142SC..Hα-helixtrans-63.8-38.3174.3-77.2177.1-147.300112.8K117 L121 E169 A170 Y171 M177K117-E173 WeakPolarHBondContact CD-OE2 3.37Å; K117-E173 WeakPolarHBondContact CE-OE2 3.49Å; K117-E173 IonicContact NZ-OE1 3.15Å; K117-E173 PolarHBondContact NZ-OE1 3.45Å; K117-E173 IonicContact NZ-OE2 2.82Å; K117-E173 PolarHBondContact NZ-OE2 2.98Å; L121-E173 HydrophobicContact CD1-CB 4.24Å; L121-E173 HydrophobicContact CD2-CB 4.11Å; E169-E173 PolarHBondContact O-N 2.98Å; A170-E173 PolarHBondContact O-N 2.79Å; Y171-E173 VanDerWaalsContact C-N 3.34Å; Y171-E173 PolarHBondContact O-N 3.29Å; E173-M177 VanDerWaalsContact O-CB 3.29Å; E173-M177 WeakPolarHBondContact O-CB 3.44Å; E173-M177 PolarHBondContact O-N 2.95Å
174F97.3Very high96.7Very high27 Ų2729.6 Ų29.612%0.11815%0.146CC..Hα-helixtrans-60.2-47.4171.9155-110.6000111.4L121 K124 A170 Y171 G172 M177 F178L121-F174 HydrophobicContact CD2-CB 3.82Å; K124-F174 HydrophobicContact CB-CD2 3.48Å; K124-F174 VanDerWaalsContact CB-CD2 3.48Å; K124-F174 HydrophobicContact CB-CE2 3.77Å; K124-F174 HydrophobicContact CB-CG 4.35Å; K124-F174 HydrophobicContact CD-CE2 4.44Å; K124-F174 HydrophobicContact CG-CD2 3.78Å; K124-F174 HydrophobicContact CG-CE2 4.13Å; K124-F174 HydrophobicContact CG-CG 4.21Å; A170-F174 PolarHBondContact O-N 2.94Å; A170-F174 VanDerWaalsContact O-N 3.15Å; Y171-F174 AromaticContact CD2-CD1 3.84Å; Y171-F174 HydrophobicContact CD2-CD1 3.84Å; Y171-F174 HydrophobicContact CD2-CE1 4.48Å; Y171-F174 AromaticContact CE2-CD1 3.58Å; Y171-F174 HydrophobicContact CE2-CD1 3.58Å; Y171-F174 AromaticContact CE2-CE1 3.78Å; Y171-F174 HydrophobicContact CE2-CE1 3.78Å; Y171-F174 WeakPolarHBondContact O-CB 3.1Å; Y171-F174 PolarHBondContact O-N 3.39Å; G172-F174 VanDerWaalsContact C-N 3.35Å; G172-F174 PolarHBondContact O-N 2.93Å; F174-M177 HydrophobicContact CD2-CE 3.77Å; F174-M177 HydrophobicContact CE2-CE 4.21Å; F174-M177 WeakPolarHBondContact O-CB 3.31Å; F174-M177 PolarHBondContact O-N 3.3Å; F174-F178 HydrophobicContact CE2-CB 4.43Å; F174-F178 PolarHBondContact O-N 2.94Å
175L97.4Very high96.9Very high13 Ų1329.1 Ų29.17%0.06815%0.145CC..Hα-helixtrans-63.6-44.4-179.7-67.9174.5000111.9Y171 G172 M177 F178 E179 I205 F208 L209Y171-L175 HydrophobicContact CD1-CD1 3.88Å; Y171-L175 HydrophobicContact CD1-CG 4.23Å; Y171-L175 HydrophobicContact CE1-CD1 3.71Å; Y171-L175 HydrophobicContact CE1-CD2 4.19Å; Y171-L175 HydrophobicContact CE1-CG 4.02Å; Y171-L175 WeakPolarHBondContact O-CG 3.36Å; Y171-L175 PolarHBondContact O-N 3.34Å; G172-L175 PolarHBondContact O-N 2.85Å; L175-M177 VanDerWaalsContact C-N 3.32Å; L175-M177 PolarHBondContact O-N 3.43Å; L175-F178 WeakPolarHBondContact O-CB 3.21Å; L175-F178 PolarHBondContact O-N 3.28Å; L175-F178 VanDerWaalsContact O-N 3.17Å; L175-E179 WeakPolarHBondContact O-CG 3.21Å; L175-E179 PolarHBondContact O-N 3.31Å; L175-I205 HydrophobicContact CD1-CB 3.71Å; L175-I205 HydrophobicContact CD1-CD1 4.29Å; L175-I205 HydrophobicContact CD1-CG1 4.34Å; L175-I205 HydrophobicContact CD1-CG2 4.36Å; L175-F208 HydrophobicContact CB-CB 3.8Å; L175-F208 HydrophobicContact CD1-CB 4.27Å; L175-L209 HydrophobicContact CB-CD2 4.33Å; L175-L209 HydrophobicContact CD1-CD2 3.84Å; L175-L209 HydrophobicContact CD2-CD2 3.83Å; L175-L209 HydrophobicContact CG-CD2 4.22Å
176C97.8Very high97.1Very high44 Ų4427 Ų2730%0.29714%0.136SC..Hα-helixtrans-57.4-46.9173.1-73.90000111.4G172 F178 E179 E180 F208G172-C176 PolarHBondContact O-N 2.82Å; G172-C176 PolarHBondContact O-SG 3.45Å; C176-F178 VanDerWaalsContact C-N 3.3Å; C176-F178 PolarHBondContact O-N 3.12Å; C176-E179 PolarHBondContact O-N 3.47Å; C176-E180 WeakPolarHBondContact O-CB 3.38Å; C176-E180 VanDerWaalsContact O-CG 3.22Å; C176-E180 WeakPolarHBondContact O-CG 3.43Å; C176-E180 PolarHBondContact O-N 3.32Å; C176-F208 WeakPolarHBondContact SG-CD1 3.28Å
177M98.1Very high97.3Very high15 Ų1529 Ų297%0.07414%0.144CC..Hα-helixtrans-58.5-43.4176.6179.9-77.2-61.600111.4F62 M125 E173 F174 L175 E180 N181 Y182F62-M177 HydrophobicContact CE2-CG 3.75Å; F62-M177 HydrophobicContact CE2-SD 4.28Å; F62-M177 HydrophobicContact CZ-CG 4.04Å; F62-M177 HydrophobicContact CZ-SD 3.94Å; M125-M177 HydrophobicContact CE-CG 3.85Å; M125-M177 HydrophobicContact CG-CE 3.64Å; M125-M177 HydrophobicContact CG-CG 4.25Å; M125-M177 HydrophobicContact CG-SD 3.72Å; E173-M177 VanDerWaalsContact O-CB 3.29Å; E173-M177 WeakPolarHBondContact O-CB 3.44Å; E173-M177 PolarHBondContact O-N 2.95Å; F174-M177 HydrophobicContact CD2-CE 3.77Å; F174-M177 HydrophobicContact CE2-CE 4.21Å; F174-M177 WeakPolarHBondContact O-CB 3.31Å; F174-M177 PolarHBondContact O-N 3.3Å; L175-M177 VanDerWaalsContact C-N 3.32Å; L175-M177 PolarHBondContact O-N 3.43Å; M177-E180 PolarHBondContact O-N 3.25Å; M177-N181 WeakPolarHBondContact O-CB 3.17Å; M177-N181 PolarHBondContact O-N 3.19Å; M177-N181 PolarHBondContact O-ND2 3.44Å; M177-Y182 HydrophobicContact SD-CD2 4.08Å; M177-Y182 HydrophobicContact SD-CE2 3.61Å
178F97.8Very high97.4Very high25 Ų2532.6 Ų32.611%0.1115%0.154CC..Hα-helixtrans-61.1-50.2177.5-179.2-99.4000112.1F174 L175 C176 E180 N181 Y182 L186F174-F178 HydrophobicContact CE2-CB 4.43Å; F174-F178 PolarHBondContact O-N 2.94Å; L175-F178 WeakPolarHBondContact O-CB 3.21Å; L175-F178 PolarHBondContact O-N 3.28Å; L175-F178 VanDerWaalsContact O-N 3.17Å; C176-F178 VanDerWaalsContact C-N 3.3Å; C176-F178 PolarHBondContact O-N 3.12Å; F178-E180 VanDerWaalsContact C-N 3.31Å; F178-E180 PolarHBondContact O-N 3.03Å; F178-N181 PolarHBondContact O-N 3.46Å; F178-Y182 HydrophobicContact CD2-CD2 4.25Å; F178-Y182 HydrophobicContact CD2-CG 4.31Å; F178-Y182 CarbonylContact O-C 3.52Å; F178-Y182 WeakPolarHBondContact O-CA 3.16Å; F178-Y182 WeakPolarHBondContact O-CB 3.34Å; F178-Y182 PolarHBondContact O-N 3.41Å; F178-L186 HydrophobicContact CE1-CB 4.42Å; F178-L186 HydrophobicContact CZ-CB 4.35Å
179E96.7Very high97.6Very high29 Ų2932.9 Ų32.914%0.13616%0.155CC..Hα-helixtrans-64.6-34-179.8-67.8-73.5-174.900113M55 L175 C176 F208 S210 T213M55-E179 WeakPolarHBondContact CE-O 3.19Å; L175-E179 WeakPolarHBondContact O-CG 3.21Å; L175-E179 PolarHBondContact O-N 3.31Å; C176-E179 PolarHBondContact O-N 3.47Å; E179-F208 WeakPolarHBondContact CG-O 3.22Å; E179-S210 VanDerWaalsContact CD-OG 3.27Å; E179-S210 PolarHBondContact OE1-N 3.13Å; E179-S210 PolarHBondContact OE1-OG 3.31Å; E179-S210 WeakPolarHBondContact OE2-CB 3.21Å; E179-S210 PolarHBondContact OE2-OG 3.42Å; E179-T213 WeakPolarHBondContact OE1-CB 3.43Å; E179-T213 PolarHBondContact OE1-OG1 2.89Å; E179-T213 PolarHBondContact OE2-OG1 3Å
180E97.8Very high97.8Very high75 Ų7528.4 Ų28.435%0.3513%0.134SC..Hα-helixtrans-78.9-31.4-179.1-71.4-176.4162.700113.4M55 K58 C176 M177 F178M55-E180 VanDerWaalsContact CE-O 3.29Å; M55-E180 WeakPolarHBondContact CE-O 3.24Å; K58-E180 IonicContact NZ-OE1 2.79Å; K58-E180 PolarHBondContact NZ-OE1 3.47Å; K58-E180 IonicContact NZ-OE2 3.98Å; K58-E180 PolarHBondContact NZ-OE2 3.3Å; C176-E180 WeakPolarHBondContact O-CB 3.38Å; C176-E180 VanDerWaalsContact O-CG 3.22Å; C176-E180 WeakPolarHBondContact O-CG 3.43Å; C176-E180 PolarHBondContact O-N 3.32Å; M177-E180 PolarHBondContact O-N 3.25Å; F178-E180 VanDerWaalsContact C-N 3.31Å; F178-E180 PolarHBondContact O-N 3.03Å
181N98.5Very high97.9Very high5 Ų528 Ų283%0.02713%0.13CC..Hα-helixtrans-116-20.1-168.8-64.5-74.9000114.5H59 F62 M177 F178 P183H59-N181 PolarHBondContact ND1-OD1 3.22Å; F62-N181 WeakPolarHBondContact CB-OD1 3.41Å; F62-N181 HydrophobicContact CD1-CB 4.1Å; F62-N181 VanDerWaalsContact CD1-CG 3.49Å; F62-N181 WeakPolarHBondContact CD1-OD1 3.29Å; F62-N181 HydrophobicContact CE1-CB 3.99Å; F62-N181 WeakPolarHBondContact CG-OD1 3.47Å; F62-N181 HydrophobicContact CZ-CB 4.43Å; M177-N181 WeakPolarHBondContact O-CB 3.17Å; M177-N181 PolarHBondContact O-N 3.19Å; M177-N181 PolarHBondContact O-ND2 3.44Å; F178-N181 PolarHBondContact O-N 3.46Å; N181-P183 WeakPolarHBondContact O-CD 3.03Å
182Y98.2Very high98Very high3 Ų325 Ų251%0.01212%0.119CC..SBendtrans-122.846.2-179-58.1-83.7000112.1C128 E129 L132 M177 F178 T185C128-Y182 HydrophobicContact CB-CD1 3.92Å; C128-Y182 HydrophobicContact CB-CD2 4.1Å; C128-Y182 HydrophobicContact CB-CE1 3.5Å; C128-Y182 VanDerWaalsContact CB-CE1 3.5Å; C128-Y182 HydrophobicContact CB-CE2 3.68Å; C128-Y182 HydrophobicContact CB-CG 4.21Å; E129-Y182 WeakPolarHBondContact OE1-CE1 3.09Å; E129-Y182 VanDerWaalsContact OE1-CZ 3.3Å; E129-Y182 PolarHBondContact OE1-OH 2.95Å; L132-Y182 HydrophobicContact CD1-CD1 3.84Å; L132-Y182 HydrophobicContact CD1-CE1 3.73Å; L132-Y182 HydrophobicContact CG-CD1 4.44Å; M177-Y182 HydrophobicContact SD-CD2 4.08Å; M177-Y182 HydrophobicContact SD-CE2 3.61Å; F178-Y182 HydrophobicContact CD2-CD2 4.25Å; F178-Y182 HydrophobicContact CD2-CG 4.31Å; F178-Y182 CarbonylContact O-C 3.52Å; F178-Y182 WeakPolarHBondContact O-CA 3.16Å; F178-Y182 WeakPolarHBondContact O-CB 3.34Å; F178-Y182 PolarHBondContact O-N 3.41Å; Y182-T185 VanDerWaalsContact C-OG1 3.31Å; Y182-T185 VanDerWaalsContact O-CB 3.27Å; Y182-T185 WeakPolarHBondContact O-CB 3.49Å; Y182-T185 PolarHBondContact O-N 3.27Å; Y182-T185 PolarHBondContact O-OG1 2.8Å
183P98.1Very high98Very high6 Ų627.1 Ų27.14%0.03913%0.128CC..THydrogen-bonded Turntrans-59.5149.7-178.825.9-34000111.7R40 W41 A44 M55 N181 T185R40-P183 PolarHBondContact NH1-O 3.38Å; R40-P183 VanDerWaalsContact NH1-O 3.1Å; W41-P183 HydrophobicContact CD2-CG 4.07Å; W41-P183 HydrophobicContact CE3-CG 3.67Å; W41-P183 HydrophobicContact CH2-CG 4.05Å; W41-P183 HydrophobicContact CZ2-CG 4.46Å; W41-P183 HydrophobicContact CZ3-CG 3.66Å; A44-P183 HydrophobicContact CB-CB 3.55Å; A44-P183 HydrophobicContact CB-CG 4.47Å; M55-P183 HydrophobicContact CE-CB 3.8Å; M55-P183 HydrophobicContact CE-CG 3.82Å; N181-P183 WeakPolarHBondContact O-CD 3.03Å; P183-T185 PolarHBondContact O-N 2.89Å; P183-T185 PolarHBondContact O-OG1 3.4Å
184E97.8Very high97.9Very high24 Ų2423.8 Ų23.811%0.11211%0.113CC..THydrogen-bonded Turntrans58.114.6176.2-66.7-77.5133.500114.7R4 R40 R43 A44 T148R4-E184 IonicContact NH2-OE2 3.92Å; R40-E184 HydrophobicContact CB-CB 4.01Å; R40-E184 HydrophobicContact CG-CB 3.97Å; R40-E184 WeakPolarHBondContact O-CG 3.31Å; R43-E184 HydrophobicContact CB-CG 3.83Å; R43-E184 IonicContact CZ-OE2 2.65Å; R43-E184 IonicContact NE-OE2 2.68Å; R43-E184 PolarHBondContact NE-OE2 3.11Å; R43-E184 IonicContact NH2-OE2 3.47Å; A44-E184 HydrophobicContact CB-CG 4.38Å; T148-E184 WeakPolarHBondContact CG2-O 3.42Å
185T98.1Very high97.8Very high5 Ų524.4 Ų24.43%0.03112%0.12CC..  trans-88.7-27.7-178.2-46.10000111.9R40 L132 T148 V149 Y182 P183 K187R40-T185 PolarHBondContact NH1-OG1 3.01Å; L132-T185 HydrophobicContact CD2-CG2 3.79Å; T148-T185 CarbonylContact C-O 3.58Å; T148-T185 WeakPolarHBondContact CA-O 3.37Å; T148-T185 VanDerWaalsContact CB-O 3.28Å; T148-T185 WeakPolarHBondContact CB-O 3.45Å; V149-T185 HydrophobicContact CG1-CG2 4.41Å; V149-T185 HydrophobicContact CG2-CG2 4.43Å; V149-T185 PolarHBondContact N-O 3.17Å; Y182-T185 VanDerWaalsContact C-OG1 3.31Å; Y182-T185 VanDerWaalsContact O-CB 3.27Å; Y182-T185 WeakPolarHBondContact O-CB 3.49Å; Y182-T185 PolarHBondContact O-N 3.27Å; Y182-T185 PolarHBondContact O-OG1 2.8Å; P183-T185 PolarHBondContact O-N 2.89Å; P183-T185 PolarHBondContact O-OG1 3.4Å; T185-K187 PolarHBondContact O-N 3.37Å
186L98.5Very high97.6Very high5 Ų531.1 Ų31.13%0.02615%0.149CC..EExtended strand (participates in β ladder)trans-72.8127.3176.1-175.763.4000110.5I151 F178 R188 L189 T213 K216I151-L186 HydrophobicContact CB-CD1 4.44Å; I151-L186 HydrophobicContact CD1-CD1 3.74Å; I151-L186 HydrophobicContact CG1-CD1 3.87Å; F178-L186 HydrophobicContact CE1-CB 4.42Å; F178-L186 HydrophobicContact CZ-CB 4.35Å; L186-R188 WeakPolarHBondContact CD1-O 3.37Å; L186-L189 HydrophobicContact CD1-CB 4.31Å; L186-L189 HydrophobicContact CD2-CB 4.29Å; L186-T213 HydrophobicContact CD2-CG2 3.79Å; L186-K216 HydrophobicContact CB-CD 4.27Å; L186-K216 HydrophobicContact CD2-CB 3.97Å; L186-K216 HydrophobicContact CD2-CD 4.33Å; L186-K216 HydrophobicContact CG-CB 4.32Å; L186-K216 HydrophobicContact CG-CD 4.18Å; L186-K216 VanDerWaalsContact O-CD 3.24Å; L186-K216 WeakPolarHBondContact O-CD 3.13Å; L186-K216 VanDerWaalsContact O-CE 3.29Å; L186-K216 WeakPolarHBondContact O-CE 3.41Å; L186-K216 PolarHBondContact O-NZ 3.24Å
187K98.4Very high97.5Very high54 Ų5430.1 Ų30.124%0.23514%0.14CC..EExtended strand (participates in β ladder)trans-88.5-53.4168.4-176.9178.3174.2-175.40111.1D92 D94 C96 V149 T185D92-K187 IonicContact OD1-NZ 3.3Å; D92-K187 PolarHBondContact OD1-NZ 2.99Å; D92-K187 VanDerWaalsContact OD1-NZ 3.16Å; D92-K187 WeakPolarHBondContact OD2-CD 3.27Å; D92-K187 WeakPolarHBondContact OD2-CE 3.23Å; D92-K187 IonicContact OD2-NZ 3.56Å; D92-K187 PolarHBondContact OD2-NZ 2.91Å; D94-K187 WeakPolarHBondContact OD2-CE 3.1Å; D94-K187 IonicContact OD2-NZ 2.69Å; D94-K187 PolarHBondContact OD2-NZ 2.91Å; C96-K187 HydrophobicContact CB-CD 4.22Å; V149-K187 VanDerWaalsContact O-CB 3.26Å; V149-K187 WeakPolarHBondContact O-CB 3.43Å; V149-K187 PolarHBondContact O-N 3.07Å; T185-K187 PolarHBondContact O-N 3.37Å
188R97.9Very high97.4Very high89 Ų8930 Ų3034%0.33614%0.139SC..EExtended strand (participates in β ladder)trans-158144.6-178.4-160.465.762.1107.91.7110.1T150 I151 L186 F190 K216 M218T150-R188 WeakPolarHBondContact CA-O 3.32Å; I151-R188 PolarHBondContact N-O 3.45Å; L186-R188 WeakPolarHBondContact CD1-O 3.37Å; R188-F190 HydrophobicContact CB-CE2 4.1Å; R188-F190 HydrophobicContact CB-CZ 4.29Å; R188-F190 HydrophobicContact CG-CD1 4.3Å; R188-F190 HydrophobicContact CG-CD2 4.26Å; R188-F190 HydrophobicContact CG-CE1 3.84Å; R188-F190 HydrophobicContact CG-CE2 3.78Å; R188-F190 HydrophobicContact CG-CZ 3.56Å; R188-K216 WeakPolarHBondContact CD-O 3.45Å; R188-M218 HydrophobicContact CG-CG 4.47Å; R188-M218 HydrophobicContact CG-SD 4.18Å; R188-M218 PolarHBondContact NH1-SD 3.44Å
189L98.7Very high97.3Very high23 Ų2329 Ų2912%0.1214%0.135CC..EExtended strand (participates in β ladder)trans-119.2115.5168.5-172.9159.8000108.6I151 Y153 L186 V191 K216 I217 M218I151-L189 HydrophobicContact CB-CB 4.31Å; I151-L189 HydrophobicContact CB-CD1 4.41Å; I151-L189 HydrophobicContact CB-CG 4.03Å; I151-L189 HydrophobicContact CG2-CD1 4.22Å; I151-L189 HydrophobicContact CG2-CG 4.02Å; I151-L189 CarbonylContact O-C 3.52Å; I151-L189 WeakPolarHBondContact O-CA 3.37Å; Y153-L189 HydrophobicContact CG-CD2 4.48Å; L186-L189 HydrophobicContact CD1-CB 4.31Å; L186-L189 HydrophobicContact CD2-CB 4.29Å; L189-V191 HydrophobicContact CD2-CG2 3.45Å; L189-V191 VanDerWaalsContact CD2-CG2 3.45Å; L189-K216 PolarHBondContact N-O 3.5Å; L189-I217 HydrophobicContact CB-CG1 4.21Å; L189-I217 HydrophobicContact CD1-CG1 4.49Å; L189-I217 HydrophobicContact CD2-CG1 4.37Å; L189-I217 HydrophobicContact CD2-CG2 4.36Å; L189-M218 PolarHBondContact O-N 2.94Å
190F98.8Very high97.4Very high2 Ų227.7 Ų27.71%0.00913%0.129CC..EExtended strand (participates in β ladder)trans-95.7114.4175.3-64.2-72.4000110T150 I151 Y153 R188 M218 L220 L228 H231T150-F190 HydrophobicContact CG2-CD2 3.95Å; T150-F190 HydrophobicContact CG2-CE2 3.85Å; I151-F190 PolarHBondContact O-N 3.3Å; Y153-F190 PolarHBondContact N-O 3.33Å; R188-F190 HydrophobicContact CB-CE2 4.1Å; R188-F190 HydrophobicContact CB-CZ 4.29Å; R188-F190 HydrophobicContact CG-CD1 4.3Å; R188-F190 HydrophobicContact CG-CD2 4.26Å; R188-F190 HydrophobicContact CG-CE1 3.84Å; R188-F190 HydrophobicContact CG-CE2 3.78Å; R188-F190 HydrophobicContact CG-CZ 3.56Å; F190-M218 CarbonylContact C-O 3.55Å; F190-M218 WeakPolarHBondContact CA-O 3.5Å; F190-M218 HydrophobicContact CD1-CB 3.9Å; F190-M218 HydrophobicContact CD1-SD 4.17Å; F190-M218 HydrophobicContact CE1-CB 4.28Å; F190-M218 HydrophobicContact CE1-SD 3.59Å; F190-M218 VanDerWaalsContact CE1-SD 3.59Å; F190-M218 HydrophobicContact CZ-SD 4.49Å; F190-L220 HydrophobicContact CB-CD1 4.05Å; F190-L220 HydrophobicContact CB-CG 4.49Å; F190-L220 HydrophobicContact CD1-CD1 3.8Å; F190-L220 HydrophobicContact CD1-CD2 4.06Å; F190-L220 HydrophobicContact CD1-CG 4.15Å; F190-L220 HydrophobicContact CG-CD1 4.24Å; F190-L228 HydrophobicContact CB-CD2 3.87Å; F190-L228 HydrophobicContact CD1-CD2 4.5Å; F190-L228 HydrophobicContact CD2-CD2 3.92Å; F190-L228 HydrophobicContact CG-CD2 3.85Å; F190-H231 HydrophobicContact CE2-CB 4.36Å; F190-H231 HydrophobicContact CZ-CB 4.17Å; F190-H231 AromaticContact CZ-CD2 3.8Å; F190-H231 AromaticContact CZ-CE1 3.85Å; F190-H231 AromaticContact CZ-CG 3.64Å; F190-H231 AromaticContact CZ-ND1 3.68Å; F190-H231 AromaticContact CZ-NE2 3.91Å
191V98.6Very high97.3Very high3 Ų324.8 Ų24.82%0.01812%0.118CC..EExtended strand (participates in β ladder)trans-87.7119.5170.4-174.80000108.1Y153 C155 L189 A194 F198 I217 M218 V219 L220Y153-V191 WeakPolarHBondContact O-CA 3.36Å; C155-V191 HydrophobicContact CB-CG1 4.17Å; L189-V191 HydrophobicContact CD2-CG2 3.45Å; L189-V191 VanDerWaalsContact CD2-CG2 3.45Å; V191-A194 HydrophobicContact CG1-CB 3.95Å; V191-F198 HydrophobicContact CB-CE2 4.44Å; V191-F198 HydrophobicContact CB-CZ 4.5Å; V191-F198 HydrophobicContact CG1-CD2 4.11Å; V191-F198 HydrophobicContact CG1-CE2 3.64Å; V191-F198 HydrophobicContact CG1-CZ 4.1Å; V191-F198 HydrophobicContact CG2-CE2 4.1Å; V191-F198 HydrophobicContact CG2-CZ 4.03Å; V191-I217 HydrophobicContact CG2-CG2 4.1Å; V191-M218 PolarHBondContact N-O 3.41Å; V191-V219 HydrophobicContact CB-CG2 4.36Å; V191-V219 HydrophobicContact CG2-CG2 4.46Å; V191-L220 WeakPolarHBondContact O-CB 3.34Å; V191-L220 PolarHBondContact O-N 2.94Å
192V98.4Very high97.3Very high0 Ų025.7 Ų25.70%012%0.121CC..EExtended strand (participates in β ladder)trans-111.9150.2178.4-590000110.7I152 Y153 D154 C155 A194 L220 W224 L228I152-V192 HydrophobicContact CG2-CG2 4.24Å; Y153-V192 PolarHBondContact O-N 3.36Å; D154-V192 HydrophobicContact CB-CG2 4.03Å; C155-V192 PolarHBondContact N-O 3.31Å; V192-A194 PolarHBondContact O-N 3.22Å; V192-A194 VanDerWaalsContact O-N 3.11Å; V192-L220 HydrophobicContact CG1-CD1 4.02Å; V192-W224 HydrophobicContact CB-CB 4.29Å; V192-W224 HydrophobicContact CB-CD2 4.15Å; V192-W224 HydrophobicContact CB-CE3 4.06Å; V192-W224 HydrophobicContact CB-CG 4.28Å; V192-W224 HydrophobicContact CG1-CB 3.99Å; V192-W224 HydrophobicContact CG1-CD2 4.3Å; V192-W224 HydrophobicContact CG1-CE3 3.92Å; V192-W224 HydrophobicContact CG1-CG 4.38Å; V192-L228 HydrophobicContact CG1-CD1 4.26Å; V192-L228 HydrophobicContact CG1-CD2 4.49Å
193K97.3Very high97.2Very high45 Ų4528.1 Ų28.120%0.19614%0.135CC..SBendtrans52.835.3174.5-58.8176.7-71168.60113.9D154 C155 E156 W224D154-K193 VanDerWaalsContact CG-CE 3.44Å; D154-K193 VanDerWaalsContact CG-NZ 3.31Å; D154-K193 WeakPolarHBondContact OD1-CE 3.4Å; D154-K193 IonicContact OD1-NZ 3.87Å; D154-K193 PolarHBondContact OD1-NZ 3.14Å; D154-K193 VanDerWaalsContact OD1-NZ 3.16Å; D154-K193 VanDerWaalsContact OD2-CE 3.31Å; D154-K193 WeakPolarHBondContact OD2-CE 3.36Å; D154-K193 IonicContact OD2-NZ 2.77Å; D154-K193 PolarHBondContact OD2-NZ 3.18Å; C155-K193 CarbonylContact C-O 3.57Å; E156-K193 HydrophobicContact CB-CB 3.8Å; E156-K193 HydrophobicContact CB-CD 3.97Å; E156-K193 HydrophobicContact CG-CD 4.42Å; E156-K193 PolarHBondContact N-O 3.19Å; E156-K193 WeakPolarHBondContact OE2-CD 3.24Å; E156-K193 WeakPolarHBondContact OE2-CE 3.16Å; E156-K193 IonicContact OE2-NZ 2.83Å; E156-K193 PolarHBondContact OE2-NZ 3.39Å; K193-W224 HydrophobicContact CD-CH2 4.41Å; K193-W224 HydrophobicContact CD-CZ2 3.74Å; K193-W224 HydrophobicContact CG-CD2 4.48Å; K193-W224 HydrophobicContact CG-CZ2 4.06Å
194A96.4Very high97.2Very high8 Ų829.5 Ų29.57%0.06614%0.141CC..  trans-64.6127.1179.300000111.9C155 V191 V192 F198 V219 M394C155-A194 HydrophobicContact CB-CB 4.32Å; V191-A194 HydrophobicContact CG1-CB 3.95Å; V192-A194 PolarHBondContact O-N 3.22Å; V192-A194 VanDerWaalsContact O-N 3.11Å; A194-F198 HydrophobicContact CB-CB 3.93Å; A194-F198 HydrophobicContact CB-CD1 4.42Å; A194-F198 HydrophobicContact CB-CD2 4.15Å; A194-F198 HydrophobicContact CB-CG 3.9Å; A194-V219 HydrophobicContact CB-CG1 4.32Å; A194-M394 HydrophobicContact CB-CE 3.86Å; A194-M394 HydrophobicContact CB-SD 4.46Å; A194-M394 WeakPolarHBondContact O-CE 3.45Å
195P95.2Very high97.1Very high39 Ų3929.6 Ų29.625%0.25314%0.142SC..  trans-86.8171.5176.933.6-33.2000111.7C155 L158 L197 F198 M394C155-P195 VanDerWaalsContact O-CD 3.31Å; C155-P195 WeakPolarHBondContact O-CD 3.23Å; L158-P195 HydrophobicContact CB-CG 3.71Å; L158-P195 HydrophobicContact CD2-CG 4.27Å; L158-P195 HydrophobicContact CG-CG 4.23Å; L158-P195 WeakPolarHBondContact O-CG 3.34Å; P195-L197 PolarHBondContact O-N 3.06Å; P195-F198 WeakPolarHBondContact O-CB 3.33Å; P195-F198 PolarHBondContact O-N 2.86Å; P195-M394 VanDerWaalsContact O-CE 3.25Å; P195-M394 WeakPolarHBondContact O-CE 3.43Å
196K92.7Very high97Very high155 Ų15531.8 Ų31.867%0.67415%0.151SC*.THydrogen-bonded Turntrans-53-23.3179-65.8-173.3-176.9-1800114.7F198 P199 G400K196-F198 VanDerWaalsContact C-N 3.32Å; K196-P199 WeakPolarHBondContact O-CD 3.39Å; K196-G400 WeakPolarHBondContact CE-O 3.29Å; K196-G400 PolarHBondContact NZ-O 3.09Å
197L95.1Very high96.9Very high23 Ų2335.9 Ų35.912%0.1218%0.179CC..THydrogen-bonded Turntrans-75.7-17.9177.6-169.364.2000113.5L160 L163 P195 P199 V200 A201 V302L160-L197 HydrophobicContact CD2-CD1 4.08Å; L160-L197 HydrophobicContact CD2-CD2 4.16Å; L163-L197 HydrophobicContact CD1-CD1 4Å; L163-L197 HydrophobicContact CD1-CD2 4.11Å; L163-L197 HydrophobicContact CD1-CG 4.28Å; L163-L197 HydrophobicContact CG-CD2 4.42Å; P195-L197 PolarHBondContact O-N 3.06Å; L197-P199 VanDerWaalsContact C-CD 3.43Å; L197-V200 HydrophobicContact CD1-CB 4.22Å; L197-V200 HydrophobicContact CD1-CG2 4.44Å; L197-V200 WeakPolarHBondContact O-CB 3.47Å; L197-V200 PolarHBondContact O-N 3.36Å; L197-A201 PolarHBondContact O-N 2.93Å; L197-A201 VanDerWaalsContact O-N 3.15Å; L197-V302 HydrophobicContact CD1-CG2 3.69Å
198F96.6Very high96.8Very high11 Ų1136.6 Ų36.65%0.04818%0.182CC..Hα-helixtrans-53.2-41.7-175.6175.7-93.2000114.3L158 V191 A194 P195 K196 V200 A201 Y202 V219 M394L158-F198 HydrophobicContact CD2-CB 4.16Å; L158-F198 HydrophobicContact CD2-CD2 4.18Å; V191-F198 HydrophobicContact CB-CE2 4.44Å; V191-F198 HydrophobicContact CB-CZ 4.5Å; V191-F198 HydrophobicContact CG1-CD2 4.11Å; V191-F198 HydrophobicContact CG1-CE2 3.64Å; V191-F198 HydrophobicContact CG1-CZ 4.1Å; V191-F198 HydrophobicContact CG2-CE2 4.1Å; V191-F198 HydrophobicContact CG2-CZ 4.03Å; A194-F198 HydrophobicContact CB-CB 3.93Å; A194-F198 HydrophobicContact CB-CD1 4.42Å; A194-F198 HydrophobicContact CB-CD2 4.15Å; A194-F198 HydrophobicContact CB-CG 3.9Å; P195-F198 WeakPolarHBondContact O-CB 3.33Å; P195-F198 PolarHBondContact O-N 2.86Å; K196-F198 VanDerWaalsContact C-N 3.32Å; F198-V200 VanDerWaalsContact C-N 3.27Å; F198-V200 PolarHBondContact O-N 2.94Å; F198-A201 PolarHBondContact O-N 2.98Å; F198-Y202 HydrophobicContact CE1-CG 4.28Å; F198-Y202 HydrophobicContact CZ-CD2 4.3Å; F198-Y202 HydrophobicContact CZ-CG 4.18Å; F198-Y202 VanDerWaalsContact O-CB 3.29Å; F198-Y202 WeakPolarHBondContact O-CB 3.43Å; F198-Y202 PolarHBondContact O-N 3.35Å; F198-V219 HydrophobicContact CE1-CG2 3.69Å; F198-V219 HydrophobicContact CZ-CG2 3.99Å; F198-M394 HydrophobicContact CB-CE 4.35Å; F198-M394 HydrophobicContact CB-SD 3.79Å; F198-M394 HydrophobicContact CD1-SD 3.77Å; F198-M394 HydrophobicContact CG-SD 4.19Å
199P96.3Very high96.7Very high4 Ų433 Ų333%0.02617%0.169CC..Hα-helixtrans-61-34.4178.4-24.437.1000113.1K196 L197 N203 P386 D387 E391 M394K196-P199 WeakPolarHBondContact O-CD 3.39Å; L197-P199 VanDerWaalsContact C-CD 3.43Å; P199-N203 WeakPolarHBondContact O-CB 3.41Å; P199-N203 PolarHBondContact O-N 3.29Å; P199-N203 VanDerWaalsContact O-N 3.11Å; P199-P386 HydrophobicContact CB-CB 3.81Å; P199-D387 PolarHBondContact O-N 3.28Å; P199-E391 HydrophobicContact CB-CB 4.16Å; P199-E391 HydrophobicContact CG-CB 4.11Å; P199-E391 HydrophobicContact CG-CG 4.45Å; P199-M394 HydrophobicContact CG-SD 3.72Å
200V96.9Very high96.6Very high2 Ų233.9 Ų33.91%0.01218%0.177CC..Hα-helixtrans-69.2-49.8175.1178.30000110.1L163 L197 F198 Y202 N203 L204 G300 V302 L384 P386L163-V200 HydrophobicContact CD1-CG1 4.14Å; L197-V200 HydrophobicContact CD1-CB 4.22Å; L197-V200 HydrophobicContact CD1-CG2 4.44Å; L197-V200 WeakPolarHBondContact O-CB 3.47Å; L197-V200 PolarHBondContact O-N 3.36Å; F198-V200 VanDerWaalsContact C-N 3.27Å; F198-V200 PolarHBondContact O-N 2.94Å; V200-Y202 VanDerWaalsContact C-N 3.34Å; V200-Y202 PolarHBondContact O-N 2.88Å; V200-N203 PolarHBondContact O-N 3.3Å; V200-L204 PolarHBondContact O-N 3.1Å; V200-G300 WeakPolarHBondContact CG2-O 3.17Å; V200-V302 HydrophobicContact CG1-CB 4.26Å; V200-V302 HydrophobicContact CG1-CG2 4.06Å; V200-V302 HydrophobicContact CG2-CG2 4.37Å; V200-L384 HydrophobicContact CG1-CB 3.67Å; V200-P386 HydrophobicContact CG2-CB 3.94Å
201A97.1Very high96.4Very high15 Ų1539 Ų3912%0.12420%0.201CC..Hα-helixtrans-60.5-42.9179.100000112.1L158 L163 L197 F198 L204 I205L158-A201 HydrophobicContact CD1-CB 4.31Å; L158-A201 HydrophobicContact CD2-CB 3.92Å; L163-A201 HydrophobicContact CD2-CB 3.93Å; L197-A201 PolarHBondContact O-N 2.93Å; L197-A201 VanDerWaalsContact O-N 3.15Å; F198-A201 PolarHBondContact O-N 2.98Å; A201-L204 WeakPolarHBondContact O-CB 3.38Å; A201-L204 PolarHBondContact O-N 3.02Å; A201-I205 PolarHBondContact O-N 3.12Å
202Y97.7Very high96.3Very high23 Ų2341.3 Ų41.39%0.0921%0.213CC..Hα-helixtrans-63.7-41.9177.5-177.3-121.3000111.5F198 V200 L204 I205 K206 L209 I217 D387 S390F198-Y202 HydrophobicContact CE1-CG 4.28Å; F198-Y202 HydrophobicContact CZ-CD2 4.3Å; F198-Y202 HydrophobicContact CZ-CG 4.18Å; F198-Y202 VanDerWaalsContact O-CB 3.29Å; F198-Y202 WeakPolarHBondContact O-CB 3.43Å; F198-Y202 PolarHBondContact O-N 3.35Å; V200-Y202 VanDerWaalsContact C-N 3.34Å; V200-Y202 PolarHBondContact O-N 2.88Å; Y202-L204 VanDerWaalsContact C-N 3.26Å; Y202-L204 PolarHBondContact O-N 3.27Å; Y202-I205 HydrophobicContact CD2-CD1 3.58Å; Y202-I205 HydrophobicContact CD2-CG1 4.41Å; Y202-I205 HydrophobicContact CE2-CD1 3.89Å; Y202-I205 PolarHBondContact O-N 3.29Å; Y202-I205 VanDerWaalsContact O-N 3.12Å; Y202-K206 HydrophobicContact CE1-CD 4.19Å; Y202-K206 VanDerWaalsContact O-CB 3.24Å; Y202-K206 WeakPolarHBondContact O-CB 3.46Å; Y202-K206 PolarHBondContact O-N 3.15Å; Y202-L209 HydrophobicContact CE2-CD1 3.77Å; Y202-I217 HydrophobicContact CE2-CD1 3.72Å; Y202-D387 HydrophobicContact CD1-CB 4.16Å; Y202-S390 WeakPolarHBondContact CD1-OG 3.14Å; Y202-S390 WeakPolarHBondContact CE1-OG 2.93Å
203N97Very high96.2Very high55 Ų5541.7 Ų41.729%0.29422%0.215SC..Hα-helixtrans-62.5-32.1178.7-159.632.6000113P199 V200 I205 P207 L385 D387P199-N203 WeakPolarHBondContact O-CB 3.41Å; P199-N203 PolarHBondContact O-N 3.29Å; P199-N203 VanDerWaalsContact O-N 3.11Å; V200-N203 PolarHBondContact O-N 3.3Å; N203-I205 VanDerWaalsContact C-N 3.34Å; N203-P207 WeakPolarHBondContact O-CD 3.4Å; N203-L385 WeakPolarHBondContact CB-O 3.28Å; N203-L385 PolarHBondContact ND2-O 3.3Å; N203-D387 HydrophobicContact CB-CB 3.9Å
204L96.9Very high96.2Very high34 Ų3442.6 Ų42.618%0.17822%0.218CC..Hα-helixtrans-64.9-37.4174.7-71172000112.9L163 V168 V200 A201 Y202 F208 L384L163-L204 HydrophobicContact CD2-CD1 3.78Å; V168-L204 HydrophobicContact CG1-CB 3.97Å; V168-L204 HydrophobicContact CG1-CD1 4.15Å; V168-L204 HydrophobicContact CG1-CG 4.49Å; V168-L204 HydrophobicContact CG2-CD1 4.04Å; V200-L204 PolarHBondContact O-N 3.1Å; A201-L204 WeakPolarHBondContact O-CB 3.38Å; A201-L204 PolarHBondContact O-N 3.02Å; Y202-L204 VanDerWaalsContact C-N 3.26Å; Y202-L204 PolarHBondContact O-N 3.27Å; L204-F208 WeakPolarHBondContact O-CE2 3.28Å; L204-L384 HydrophobicContact CD1-CD1 4.1Å; L204-L384 HydrophobicContact CD2-CD1 4.27Å; L204-L384 HydrophobicContact CD2-CD2 3.94Å; L204-L384 HydrophobicContact CD2-CG 4.49Å
205I96Very high96.3Very high26 Ų2650.1 Ų50.113%0.13325%0.249CC..Hα-helixtrans-97.3-18.4-173.465.171.5000112.8Y171 L175 A201 Y202 N203 P207 F208 L209Y171-I205 HydrophobicContact CD1-CG2 3.84Å; Y171-I205 HydrophobicContact CE1-CG2 4.33Å; L175-I205 HydrophobicContact CD1-CB 3.71Å; L175-I205 HydrophobicContact CD1-CD1 4.29Å; L175-I205 HydrophobicContact CD1-CG1 4.34Å; L175-I205 HydrophobicContact CD1-CG2 4.36Å; A201-I205 PolarHBondContact O-N 3.12Å; Y202-I205 HydrophobicContact CD2-CD1 3.58Å; Y202-I205 HydrophobicContact CD2-CG1 4.41Å; Y202-I205 HydrophobicContact CE2-CD1 3.89Å; Y202-I205 PolarHBondContact O-N 3.29Å; Y202-I205 VanDerWaalsContact O-N 3.12Å; N203-I205 VanDerWaalsContact C-N 3.34Å; I205-P207 VanDerWaalsContact C-N 3.32Å; I205-F208 HydrophobicContact CB-CD2 4.42Å; I205-F208 WeakPolarHBondContact O-CB 3.39Å; I205-F208 WeakPolarHBondContact O-CD2 3.42Å; I205-F208 PolarHBondContact O-N 3.47Å; I205-L209 HydrophobicContact CD1-CD1 3.51Å; I205-L209 HydrophobicContact CD1-CG 4.03Å
206K96.3Very high96.4Very high51 Ų5149.7 Ų49.722%0.22224%0.243CC..G310 helixtrans-51.9-42.2-179.1-176179-174.9-174.10112.5Y202 F208 L209 R214 D387Y202-K206 HydrophobicContact CE1-CD 4.19Å; Y202-K206 VanDerWaalsContact O-CB 3.24Å; Y202-K206 WeakPolarHBondContact O-CB 3.46Å; Y202-K206 PolarHBondContact O-N 3.15Å; K206-F208 PolarHBondContact O-N 3.24Å; K206-F208 VanDerWaalsContact O-N 3.09Å; K206-L209 PolarHBondContact O-N 3.23Å; K206-R214 PolarHBondContact O-NE 3.24Å; K206-R214 PolarHBondContact O-NH2 2.94Å; K206-D387 IonicContact NZ-OD1 4Å; K206-D387 PolarHBondContact NZ-OD1 3.35Å
207P97.4Very high96.6Very high92 Ų9243.4 Ų43.460%0.59722%0.217SC*.G310 helixtrans-56-25.7177.8-27.236.7000114.8N203 I205N203-P207 WeakPolarHBondContact O-CD 3.4Å; I205-P207 VanDerWaalsContact C-N 3.32Å
208F95.8Very high96.7Very high69 Ų6944.9 Ų44.930%0.30322%0.224SC..G310 helixtrans-88.8-5.4-179.8-46.6-62.2000113.4G172 L175 C176 E179 L204 I205 K206G172-F208 VanDerWaalsContact CA-CD2 3.41Å; L175-F208 HydrophobicContact CB-CB 3.8Å; L175-F208 HydrophobicContact CD1-CB 4.27Å; C176-F208 WeakPolarHBondContact SG-CD1 3.28Å; E179-F208 WeakPolarHBondContact CG-O 3.22Å; L204-F208 WeakPolarHBondContact O-CE2 3.28Å; I205-F208 HydrophobicContact CB-CD2 4.42Å; I205-F208 WeakPolarHBondContact O-CB 3.39Å; I205-F208 WeakPolarHBondContact O-CD2 3.42Å; I205-F208 PolarHBondContact O-N 3.47Å; K206-F208 PolarHBondContact O-N 3.24Å; K206-F208 VanDerWaalsContact O-N 3.09Å
209L95.6Very high96.8Very high14 Ų1444.9 Ų44.97%0.07322%0.224CC..SBendtrans-99.3135.9-178.2-57.2-177.9000111.5L175 Y202 I205 K206 T213 R214 I217L175-L209 HydrophobicContact CB-CD2 4.33Å; L175-L209 HydrophobicContact CD1-CD2 3.84Å; L175-L209 HydrophobicContact CD2-CD2 3.83Å; L175-L209 HydrophobicContact CG-CD2 4.22Å; Y202-L209 HydrophobicContact CE2-CD1 3.77Å; I205-L209 HydrophobicContact CD1-CD1 3.51Å; I205-L209 HydrophobicContact CD1-CG 4.03Å; K206-L209 PolarHBondContact O-N 3.23Å; L209-T213 HydrophobicContact CB-CG2 4.4Å; L209-T213 HydrophobicContact CD2-CG2 3.98Å; L209-R214 HydrophobicContact CB-CG 3.88Å; L209-R214 HydrophobicContact CD1-CG 4.38Å; L209-R214 PolarHBondContact O-NE 2.97Å; L209-R214 PolarHBondContact O-NH2 3.47Å; L209-I217 HydrophobicContact CD1-CD1 3.68Å
210S95.8Very high96.8Very high40 Ų4045.2 Ų45.228%0.2823%0.226SC..  trans-70159.2171.169.90000111.8E179 D212 T213 R214E179-S210 VanDerWaalsContact CD-OG 3.27Å; E179-S210 PolarHBondContact OE1-N 3.13Å; E179-S210 PolarHBondContact OE1-OG 3.31Å; E179-S210 WeakPolarHBondContact OE2-CB 3.21Å; E179-S210 PolarHBondContact OE2-OG 3.42Å; S210-D212 PolarHBondContact O-N 2.61Å; S210-T213 PolarHBondContact O-N 2.71Å; S210-T213 PolarHBondContact OG-N 3.18Å; S210-T213 PolarHBondContact OG-OG1 3.07Å; S210-R214 VanDerWaalsContact O-CG 3.27Å; S210-R214 WeakPolarHBondContact O-CG 3.33Å; S210-R214 PolarHBondContact O-N 3.24Å
211E95.4Very high96.6Very high110 Ų11045.4 Ų45.451%0.51423%0.228SC..Hα-helixtrans-60.3-30.7173.8-71.9-59.5128.100112.6R214 K215E211-R214 WeakPolarHBondContact OE1-CD 3.29Å; E211-R214 IonicContact OE1-CZ 3.79Å; E211-R214 IonicContact OE1-NE 3.52Å; E211-R214 IonicContact OE1-NH1 2.89Å; E211-R214 PolarHBondContact OE1-NH1 3.02Å; E211-K215 WeakPolarHBondContact O-CD 3.3Å; E211-K215 VanDerWaalsContact O-CG 3.22Å; E211-K215 WeakPolarHBondContact O-CG 3.11Å; E211-K215 PolarHBondContact O-N 2.96Å; E211-K215 VanDerWaalsContact O-N 3.15Å
212D95.5Very high96.5Very high52 Ų5249.1 Ų49.128%0.27826%0.259SS..Hα-helixtrans-65-50.3174.5176.764.5000111.1S210 R214 K215 K216S210-D212 PolarHBondContact O-N 2.61Å; D212-R214 PolarHBondContact O-N 2.68Å; D212-K215 PolarHBondContact O-N 3.38Å; D212-K216 VanDerWaalsContact CG-NZ 3.27Å; D212-K216 WeakPolarHBondContact O-CG 3.47Å; D212-K216 PolarHBondContact O-N 3.15Å; D212-K216 WeakPolarHBondContact OD1-CE 3.48Å; D212-K216 IonicContact OD1-NZ 3.16Å; D212-K216 PolarHBondContact OD1-NZ 2.98Å; D212-K216 VanDerWaalsContact OD1-NZ 3.14Å; D212-K216 WeakPolarHBondContact OD2-CE 3.37Å; D212-K216 IonicContact OD2-NZ 3.52Å; D212-K216 PolarHBondContact OD2-NZ 3.48Å
213T97.3Very high96.4Very high7 Ų751.3 Ų51.34%0.04327%0.273CS..Hα-helixtrans-60.3-46.5176.2-65.30000111.7E179 L186 L209 S210 K215 K216 I217E179-T213 WeakPolarHBondContact OE1-CB 3.43Å; E179-T213 PolarHBondContact OE1-OG1 2.89Å; E179-T213 PolarHBondContact OE2-OG1 3Å; L186-T213 HydrophobicContact CD2-CG2 3.79Å; L209-T213 HydrophobicContact CB-CG2 4.4Å; L209-T213 HydrophobicContact CD2-CG2 3.98Å; S210-T213 PolarHBondContact O-N 2.71Å; S210-T213 PolarHBondContact OG-N 3.18Å; S210-T213 PolarHBondContact OG-OG1 3.07Å; T213-K215 VanDerWaalsContact C-N 3.28Å; T213-K215 PolarHBondContact O-N 3.4Å; T213-K216 WeakPolarHBondContact O-CA 3.35Å; T213-K216 WeakPolarHBondContact O-CB 3.14Å; T213-K216 PolarHBondContact O-N 3.5Å; T213-I217 HydrophobicContact CG2-CD1 4.46Å; T213-I217 WeakPolarHBondContact O-CG1 3.5Å; T213-I217 PolarHBondContact O-N 3.21Å
214R97.3Very high96.4Very high64 Ų6450.2 Ų50.224%0.24226%0.264CS..Hα-helixtrans-57-40.1179-69.4171-171.3-175.62.5112.2K206 L209 S210 E211 D212 K216 I217K206-R214 PolarHBondContact O-NE 3.24Å; K206-R214 PolarHBondContact O-NH2 2.94Å; L209-R214 HydrophobicContact CB-CG 3.88Å; L209-R214 HydrophobicContact CD1-CG 4.38Å; L209-R214 PolarHBondContact O-NE 2.97Å; L209-R214 PolarHBondContact O-NH2 3.47Å; S210-R214 VanDerWaalsContact O-CG 3.27Å; S210-R214 WeakPolarHBondContact O-CG 3.33Å; S210-R214 PolarHBondContact O-N 3.24Å; E211-R214 WeakPolarHBondContact OE1-CD 3.29Å; E211-R214 IonicContact OE1-CZ 3.79Å; E211-R214 IonicContact OE1-NE 3.52Å; E211-R214 IonicContact OE1-NH1 2.89Å; E211-R214 PolarHBondContact OE1-NH1 3.02Å; D212-R214 PolarHBondContact O-N 2.68Å; R214-K216 PolarHBondContact O-N 3.39Å; R214-I217 PolarHBondContact O-N 3.47Å
215K97.4Very high96.5Very high166 Ų16652.7 Ų52.772%0.72227%0.273SS*.Hα-helixtrans-67.1-23.9176.7-73.8169.4-174.6175.60113.3E211 D212 T213E211-K215 WeakPolarHBondContact O-CD 3.3Å; E211-K215 VanDerWaalsContact O-CG 3.22Å; E211-K215 WeakPolarHBondContact O-CG 3.11Å; E211-K215 PolarHBondContact O-N 2.96Å; E211-K215 VanDerWaalsContact O-N 3.15Å; D212-K215 PolarHBondContact O-N 3.38Å; T213-K215 VanDerWaalsContact C-N 3.28Å; T213-K215 PolarHBondContact O-N 3.4Å
216K98.1Very high96.6Very high31 Ų3157.1 Ų57.114%0.13529%0.294CS..Hα-helixtrans-90.4-3.3179.3-67.1168.4178.7173.60113.1L186 R188 L189 D212 T213 R214L186-K216 HydrophobicContact CB-CD 4.27Å; L186-K216 HydrophobicContact CD2-CB 3.97Å; L186-K216 HydrophobicContact CD2-CD 4.33Å; L186-K216 HydrophobicContact CG-CB 4.32Å; L186-K216 HydrophobicContact CG-CD 4.18Å; L186-K216 VanDerWaalsContact O-CD 3.24Å; L186-K216 WeakPolarHBondContact O-CD 3.13Å; L186-K216 VanDerWaalsContact O-CE 3.29Å; L186-K216 WeakPolarHBondContact O-CE 3.41Å; L186-K216 PolarHBondContact O-NZ 3.24Å; R188-K216 WeakPolarHBondContact CD-O 3.45Å; L189-K216 PolarHBondContact N-O 3.5Å; D212-K216 VanDerWaalsContact CG-NZ 3.27Å; D212-K216 WeakPolarHBondContact O-CG 3.47Å; D212-K216 PolarHBondContact O-N 3.15Å; D212-K216 WeakPolarHBondContact OD1-CE 3.48Å; D212-K216 IonicContact OD1-NZ 3.16Å; D212-K216 PolarHBondContact OD1-NZ 2.98Å; D212-K216 VanDerWaalsContact OD1-NZ 3.14Å; D212-K216 WeakPolarHBondContact OD2-CE 3.37Å; D212-K216 IonicContact OD2-NZ 3.52Å; D212-K216 PolarHBondContact OD2-NZ 3.48Å; T213-K216 WeakPolarHBondContact O-CA 3.35Å; T213-K216 WeakPolarHBondContact O-CB 3.14Å; T213-K216 PolarHBondContact O-N 3.5Å; R214-K216 PolarHBondContact O-N 3.39Å
217I98Very high96.7Very high22 Ų2255.7 Ų55.711%0.11329%0.289CS..EExtended strand (participates in β ladder)trans-83.1122.4175.8-66.1171.7000110.5L189 V191 Y202 L209 T213 R214L189-I217 HydrophobicContact CB-CG1 4.21Å; L189-I217 HydrophobicContact CD1-CG1 4.49Å; L189-I217 HydrophobicContact CD2-CG1 4.37Å; L189-I217 HydrophobicContact CD2-CG2 4.36Å; V191-I217 HydrophobicContact CG2-CG2 4.1Å; Y202-I217 HydrophobicContact CE2-CD1 3.72Å; L209-I217 HydrophobicContact CD1-CD1 3.68Å; T213-I217 HydrophobicContact CG2-CD1 4.46Å; T213-I217 WeakPolarHBondContact O-CG1 3.5Å; T213-I217 PolarHBondContact O-N 3.21Å; R214-I217 PolarHBondContact O-N 3.47Å
218M97.2Very high96.8Very high55 Ų5551.3 Ų51.327%0.27126%0.261SS..EExtended strand (participates in β ladder)trans-118.4104.4175.1-72.6-171.881.400110.8R188 L189 F190 V191 L220R188-M218 HydrophobicContact CG-CG 4.47Å; R188-M218 HydrophobicContact CG-SD 4.18Å; R188-M218 PolarHBondContact NH1-SD 3.44Å; L189-M218 PolarHBondContact O-N 2.94Å; F190-M218 CarbonylContact C-O 3.55Å; F190-M218 WeakPolarHBondContact CA-O 3.5Å; F190-M218 HydrophobicContact CD1-CB 3.9Å; F190-M218 HydrophobicContact CD1-SD 4.17Å; F190-M218 HydrophobicContact CE1-CB 4.28Å; F190-M218 HydrophobicContact CE1-SD 3.59Å; F190-M218 VanDerWaalsContact CE1-SD 3.59Å; F190-M218 HydrophobicContact CZ-SD 4.49Å; V191-M218 PolarHBondContact N-O 3.41Å; M218-L220 HydrophobicContact CB-CD2 4.24Å; M218-L220 HydrophobicContact CE-CD2 4.47Å; M218-L220 PolarHBondContact O-N 3.22Å
219V96.9Very high96.9Very high10 Ų1050.5 Ų50.56%0.06126%0.259CS..EExtended strand (participates in β ladder)trans-73.1121.9166-1720000108.9V191 A194 F198 K393 M394 L397V191-V219 HydrophobicContact CB-CG2 4.36Å; V191-V219 HydrophobicContact CG2-CG2 4.46Å; A194-V219 HydrophobicContact CB-CG1 4.32Å; F198-V219 HydrophobicContact CE1-CG2 3.69Å; F198-V219 HydrophobicContact CZ-CG2 3.99Å; V219-K393 HydrophobicContact CB-CD 4.37Å; V219-M394 HydrophobicContact CG1-CG 4.38Å; V219-L397 HydrophobicContact CB-CD1 4.26Å; V219-L397 HydrophobicContact CG1-CD1 4.06Å; V219-L397 VanDerWaalsContact O-CD1 3.25Å; V219-L397 WeakPolarHBondContact O-CD1 3.43Å
220L96.4Very high97Very high11 Ų1156.5 Ų56.56%0.05829%0.285CS..  trans-99.4146.5-179.3-57.4-171.2000111.1F190 V191 V192 M218 W224 V227 L228F190-L220 HydrophobicContact CB-CD1 4.05Å; F190-L220 HydrophobicContact CB-CG 4.49Å; F190-L220 HydrophobicContact CD1-CD1 3.8Å; F190-L220 HydrophobicContact CD1-CD2 4.06Å; F190-L220 HydrophobicContact CD1-CG 4.15Å; F190-L220 HydrophobicContact CG-CD1 4.24Å; V191-L220 WeakPolarHBondContact O-CB 3.34Å; V191-L220 PolarHBondContact O-N 2.94Å; V192-L220 HydrophobicContact CG1-CD1 4.02Å; M218-L220 HydrophobicContact CB-CD2 4.24Å; M218-L220 HydrophobicContact CE-CD2 4.47Å; M218-L220 PolarHBondContact O-N 3.22Å; L220-W224 HydrophobicContact CB-CB 3.71Å; L220-W224 HydrophobicContact CD1-CB 4.12Å; L220-V227 HydrophobicContact CD1-CB 4.05Å; L220-V227 HydrophobicContact CD1-CG1 3.99Å; L220-V227 HydrophobicContact CD2-CB 4.31Å; L220-V227 HydrophobicContact CD2-CG1 3.74Å; L220-L228 HydrophobicContact CD1-CD2 4.09Å; L220-L228 HydrophobicContact CD1-CG 4.39Å
221G93.7Very high97.2Very high6 Ų657.6 Ų57.66%0.06229%0.285CS..  trans-90.6-154.7178.200000113.2N223 W224G221-N223 PolarHBondContact O-N 2.84Å; G221-W224 WeakPolarHBondContact O-CB 3.39Å; G221-W224 PolarHBondContact O-N 2.92Å; G221-W224 VanDerWaalsContact O-N 3.12Å
222A94.2Very high97.3Very high94 Ų9452.3 Ų52.378%0.77726%0.261SS*.THydrogen-bonded Turntrans-58.6-30.6-177.100000114.1W224A222-W224 PolarHBondContact O-N 2.97Å
223N96.1Very high97.5Very high69 Ų6951.9 Ų51.937%0.36926%0.261SS..THydrogen-bonded Turntrans-8724.9178.671.3-30.7000113.7G221 K225 E226 V227G221-N223 PolarHBondContact O-N 2.84Å; N223-K225 VanDerWaalsContact C-N 3.25Å; N223-K225 PolarHBondContact O-N 3.36Å; N223-E226 HydrophobicContact CB-CB 4.48Å; N223-E226 WeakPolarHBondContact O-CB 3.31Å; N223-E226 PolarHBondContact O-N 3.05Å; N223-E226 VanDerWaalsContact O-N 3.08Å; N223-V227 PolarHBondContact O-N 3.43Å; N223-V227 VanDerWaalsContact O-N 3.13Å
224W97.9Very high97.5Very high32 Ų3254.1 Ų54.112%0.12128%0.276CS..Hα-helixtrans-53.3-39.4-175.761.3-90.6000113.3V192 K193 L220 G221 A222 E226 V227 L228 Y241V192-W224 HydrophobicContact CB-CB 4.29Å; V192-W224 HydrophobicContact CB-CD2 4.15Å; V192-W224 HydrophobicContact CB-CE3 4.06Å; V192-W224 HydrophobicContact CB-CG 4.28Å; V192-W224 HydrophobicContact CG1-CB 3.99Å; V192-W224 HydrophobicContact CG1-CD2 4.3Å; V192-W224 HydrophobicContact CG1-CE3 3.92Å; V192-W224 HydrophobicContact CG1-CG 4.38Å; K193-W224 HydrophobicContact CD-CH2 4.41Å; K193-W224 HydrophobicContact CD-CZ2 3.74Å; K193-W224 HydrophobicContact CG-CD2 4.48Å; K193-W224 HydrophobicContact CG-CZ2 4.06Å; L220-W224 HydrophobicContact CB-CB 3.71Å; L220-W224 HydrophobicContact CD1-CB 4.12Å; G221-W224 WeakPolarHBondContact O-CB 3.39Å; G221-W224 PolarHBondContact O-N 2.92Å; G221-W224 VanDerWaalsContact O-N 3.12Å; A222-W224 PolarHBondContact O-N 2.97Å; W224-E226 PolarHBondContact O-N 2.76Å; W224-V227 PolarHBondContact O-N 3.19Å; W224-L228 HydrophobicContact CE3-CD1 3.84Å; W224-L228 HydrophobicContact CZ3-CD1 4.02Å; W224-L228 WeakPolarHBondContact O-CG 3.17Å; W224-L228 PolarHBondContact O-N 3.46Å; W224-Y241 HydrophobicContact CH2-CD1 4.27Å; W224-Y241 AromaticContact CZ3-CD1 3.9Å; W224-Y241 HydrophobicContact CZ3-CD1 3.9Å
225K98.4Very high97.6Very high85 Ų8554.9 Ų54.937%0.3729%0.285SS..Hα-helixtrans-57.6-50.5176.1-71.6-172171.9-1660111.6N223 V227 L228 L229 E240N223-K225 VanDerWaalsContact C-N 3.25Å; N223-K225 PolarHBondContact O-N 3.36Å; K225-V227 VanDerWaalsContact C-N 3.28Å; K225-V227 PolarHBondContact O-N 3.16Å; K225-L228 PolarHBondContact O-N 3.3Å; K225-L229 WeakPolarHBondContact O-CG 3.25Å; K225-L229 PolarHBondContact O-N 3.41Å; K225-E240 WeakPolarHBondContact CE-O 3.25Å; K225-E240 PolarHBondContact NZ-O 3.42Å
226E98.3Very high97.7Very high120 Ų12049.2 Ų49.256%0.56126%0.261SS*.Hα-helixtrans-59.4-40.3178.2-61.6173.8-172.600111.9N223 W224 L229 K230N223-E226 HydrophobicContact CB-CB 4.48Å; N223-E226 WeakPolarHBondContact O-CB 3.31Å; N223-E226 PolarHBondContact O-N 3.05Å; N223-E226 VanDerWaalsContact O-N 3.08Å; W224-E226 PolarHBondContact O-N 2.76Å; E226-L229 PolarHBondContact O-N 3.23Å; E226-K230 WeakPolarHBondContact O-CG 3.37Å; E226-K230 PolarHBondContact O-N 3.44Å
227V98.3Very high97.7Very high20 Ų2047.8 Ų47.812%0.12126%0.255CS..Hα-helixtrans-69.1-39.3179.4179.80000111.4L220 N223 W224 K225 L229 K230 H231L220-V227 HydrophobicContact CD1-CB 4.05Å; L220-V227 HydrophobicContact CD1-CG1 3.99Å; L220-V227 HydrophobicContact CD2-CB 4.31Å; L220-V227 HydrophobicContact CD2-CG1 3.74Å; N223-V227 PolarHBondContact O-N 3.43Å; N223-V227 VanDerWaalsContact O-N 3.13Å; W224-V227 PolarHBondContact O-N 3.19Å; K225-V227 VanDerWaalsContact C-N 3.28Å; K225-V227 PolarHBondContact O-N 3.16Å; V227-L229 VanDerWaalsContact C-N 3.31Å; V227-L229 PolarHBondContact O-N 2.76Å; V227-K230 WeakPolarHBondContact O-CB 3.23Å; V227-K230 PolarHBondContact O-N 2.62Å; V227-H231 PolarHBondContact O-ND1 2.93Å
228L98.6Very high97.7Very high0 Ų046.7 Ų46.70%025%0.25CC..Hα-helixtrans-59.3-44.4173.1-68.8-176.2000110.9I152 F190 V192 L220 W224 K225 K230 H231 I232I152-L228 HydrophobicContact CD1-CD1 4.04Å; I152-L228 HydrophobicContact CD1-CD2 3.95Å; I152-L228 HydrophobicContact CG1-CD2 4Å; F190-L228 HydrophobicContact CB-CD2 3.87Å; F190-L228 HydrophobicContact CD1-CD2 4.5Å; F190-L228 HydrophobicContact CD2-CD2 3.92Å; F190-L228 HydrophobicContact CG-CD2 3.85Å; V192-L228 HydrophobicContact CG1-CD1 4.26Å; V192-L228 HydrophobicContact CG1-CD2 4.49Å; L220-L228 HydrophobicContact CD1-CD2 4.09Å; L220-L228 HydrophobicContact CD1-CG 4.39Å; W224-L228 HydrophobicContact CE3-CD1 3.84Å; W224-L228 HydrophobicContact CZ3-CD1 4.02Å; W224-L228 WeakPolarHBondContact O-CG 3.17Å; W224-L228 PolarHBondContact O-N 3.46Å; K225-L228 PolarHBondContact O-N 3.3Å; L228-K230 PolarHBondContact O-N 2.96Å; L228-H231 PolarHBondContact O-N 2.88Å; L228-I232 PolarHBondContact O-N 2.95Å
229L98.6Very high97.8Very high53 Ų5346.9 Ų46.928%0.27725%0.253SS..Hα-helixtrans-67.7-14.3179.2-64.3-178.6000114.5M93 K225 E226 V227 H231 I232 P234 V237 G242M93-L229 WeakPolarHBondContact CE-O 3.42Å; K225-L229 WeakPolarHBondContact O-CG 3.25Å; K225-L229 PolarHBondContact O-N 3.41Å; E226-L229 PolarHBondContact O-N 3.23Å; V227-L229 VanDerWaalsContact C-N 3.31Å; V227-L229 PolarHBondContact O-N 2.76Å; L229-H231 VanDerWaalsContact C-N 3.27Å; L229-I232 WeakPolarHBondContact CA-O 3.23Å; L229-P234 HydrophobicContact CD2-CB 4.21Å; L229-P234 HydrophobicContact CD2-CG 4.1Å; L229-V237 HydrophobicContact CD2-CB 4.49Å; L229-V237 HydrophobicContact CD2-CG2 4.3Å; L229-G242 WeakPolarHBondContact CD1-O 3.36Å
230K98.4Very high97.9Very high139 Ų13949 Ų4960%0.60426%0.263SS*.THydrogen-bonded Turntrans-75.4-17169-69.6173.8-173.7-179.40113.2E226 V227 L228E226-K230 WeakPolarHBondContact O-CG 3.37Å; E226-K230 PolarHBondContact O-N 3.44Å; V227-K230 WeakPolarHBondContact O-CB 3.23Å; V227-K230 PolarHBondContact O-N 2.62Å; L228-K230 PolarHBondContact O-N 2.96Å
231H98.5Very high98Very high63 Ų6348.5 Ų48.529%0.29226%0.26SS..THydrogen-bonded Turntrans-117.2-23.9-174.8-60.186.4000112.6D92 M93 F190 V227 L228 L229D92-H231 WeakPolarHBondContact CB-O 3.25Å; M93-H231 WeakPolarHBondContact CB-O 3.44Å; M93-H231 VanDerWaalsContact CG-O 3.3Å; M93-H231 WeakPolarHBondContact CG-O 3.41Å; M93-H231 PolarHBondContact N-O 3.42Å; F190-H231 HydrophobicContact CE2-CB 4.36Å; F190-H231 HydrophobicContact CZ-CB 4.17Å; F190-H231 AromaticContact CZ-CD2 3.8Å; F190-H231 AromaticContact CZ-CE1 3.85Å; F190-H231 AromaticContact CZ-CG 3.64Å; F190-H231 AromaticContact CZ-ND1 3.68Å; F190-H231 AromaticContact CZ-NE2 3.91Å; V227-H231 PolarHBondContact O-ND1 2.93Å; L228-H231 PolarHBondContact O-N 2.88Å; L229-H231 VanDerWaalsContact C-N 3.27Å
232I98.7Very high98.2Very high0 Ų049.3 Ų49.30%027%0.268CS..SBendtrans-131.5131.5-175.4-48170.6000107.8Y91 D92 V98 T150 I152 L228 L229 Q236 V237Y91-I232 WeakPolarHBondContact O-CG2 3.17Å; D92-I232 HydrophobicContact CB-CG1 3.87Å; V98-I232 HydrophobicContact CG1-CD1 4.2Å; V98-I232 HydrophobicContact CG2-CD1 4Å; V98-I232 HydrophobicContact CG2-CG1 4.46Å; T150-I232 HydrophobicContact CG2-CD1 4.48Å; I152-I232 HydrophobicContact CD1-CD1 3.73Å; L228-I232 PolarHBondContact O-N 2.95Å; L229-I232 WeakPolarHBondContact CA-O 3.23Å; I232-Q236 HydrophobicContact CG2-CB 3.82Å; I232-V237 HydrophobicContact CB-CG2 3.51Å; I232-V237 HydrophobicContact CD1-CG2 4.29Å; I232-V237 HydrophobicContact CG2-CG2 3.26Å
233S98.6Very high98.4Very high42 Ų4245.3 Ų45.329%0.29424%0.236SC..  trans-62.4142.9178-169.90000110.8D235 Q236 V237S233-D235 VanDerWaalsContact C-N 3.25Å; S233-D235 WeakPolarHBondContact CB-OD1 3.46Å; S233-D235 PolarHBondContact O-N 3.37Å; S233-D235 PolarHBondContact OG-OD1 3.31Å; S233-Q236 WeakPolarHBondContact O-CA 3.21Å; S233-Q236 WeakPolarHBondContact O-CB 3.17Å; S233-Q236 PolarHBondContact O-N 3.4Å; S233-V237 PolarHBondContact O-N 2.92Å
234P98.7Very high98.6Very high54 Ų5446.4 Ų46.435%0.35125%0.245SC..G310 helixtrans-54.1-37.8-177.7-26.232.7000114.3L229 Q236 V237 G243 T244L229-P234 HydrophobicContact CD2-CB 4.21Å; L229-P234 HydrophobicContact CD2-CG 4.1Å; P234-Q236 PolarHBondContact O-N 2.66Å; P234-V237 PolarHBondContact O-N 2.94Å; P234-V237 VanDerWaalsContact O-N 3.15Å; P234-V237 VanDerWaalsContact O-O 3.05Å; P234-G243 CarbonylContact O-C 3.53Å; P234-G243 WeakPolarHBondContact O-CA 3.47Å; P234-T244 HydrophobicContact CB-CG2 4.18Å; P234-T244 PolarHBondContact O-N 3.48Å; P234-T244 PolarHBondContact O-OG1 3.11Å
235D98.7Very high98.6Very high80 Ų8046.4 Ų46.443%0.42825%0.247SC..G310 helixtrans-68.4-15.1177.867.6-68.1000113.7S233 T244 M245S233-D235 VanDerWaalsContact C-N 3.25Å; S233-D235 WeakPolarHBondContact CB-OD1 3.46Å; S233-D235 PolarHBondContact O-N 3.37Å; S233-D235 PolarHBondContact OG-OD1 3.31Å; D235-T244 WeakPolarHBondContact CA-OG1 3.33Å; D235-T244 PolarHBondContact N-OG1 2.73Å; D235-M245 WeakPolarHBondContact O-CE 3Å
236Q98.8Very high98.6Very high48 Ų4845.4 Ų45.422%0.22425%0.248CC..G310 helixtrans-98.8-3.4176.7-61.3-57.3-55.400113.1Y91 I232 S233 P234Y91-Q236 VanDerWaalsContact O-CB 3.24Å; Y91-Q236 WeakPolarHBondContact O-CB 3.49Å; I232-Q236 HydrophobicContact CG2-CB 3.82Å; S233-Q236 WeakPolarHBondContact O-CA 3.21Å; S233-Q236 WeakPolarHBondContact O-CB 3.17Å; S233-Q236 PolarHBondContact O-N 3.4Å; P234-Q236 PolarHBondContact O-N 2.66Å
237V98.9Very high98.6Very high0 Ų040.2 Ų40.20%023%0.225CC..SBendtrans-112.6132.8179-1780000109.5L229 I232 S233 P234 G243 T244 M245L229-V237 HydrophobicContact CD2-CB 4.49Å; L229-V237 HydrophobicContact CD2-CG2 4.3Å; I232-V237 HydrophobicContact CB-CG2 3.51Å; I232-V237 HydrophobicContact CD1-CG2 4.29Å; I232-V237 HydrophobicContact CG2-CG2 3.26Å; S233-V237 PolarHBondContact O-N 2.92Å; P234-V237 PolarHBondContact O-N 2.94Å; P234-V237 VanDerWaalsContact O-N 3.15Å; P234-V237 VanDerWaalsContact O-O 3.05Å; V237-G243 CarbonylContact O-C 3.5Å; V237-G243 VanDerWaalsContact O-CA 3.32Å; V237-G243 WeakPolarHBondContact O-CA 3.18Å; V237-T244 PolarHBondContact O-N 2.92Å; V237-M245 VanDerWaalsContact O-CB 3.24Å; V237-M245 WeakPolarHBondContact O-CB 3.41Å; V237-M245 PolarHBondContact O-N 2.83Å
238P98.9Very high98.6Very high0 Ų045.9 Ų45.90%026%0.261CS..BIsolated β-bridgetrans-54.8146.7171.3-23.532.9000112.2Y100 E240 Y241 G242 G243 M245 C254 I258Y100-P238 WeakPolarHBondContact OH-CD 3.15Å; P238-E240 HydrophobicContact CB-CB 4.44Å; P238-E240 PolarHBondContact O-N 3.46Å; P238-Y241 HydrophobicContact CB-CD2 4.04Å; P238-Y241 HydrophobicContact CG-CD2 4.06Å; P238-Y241 CarbonylContact O-C 3.53Å; P238-Y241 WeakPolarHBondContact O-CA 3.06Å; P238-Y241 PolarHBondContact O-N 3.07Å; P238-G242 PolarHBondContact O-N 3.49Å; P238-G243 PolarHBondContact O-N 2.75Å; P238-G243 VanDerWaalsContact O-N 3.11Å; P238-M245 CarbonylContact C-O 3.49Å; P238-M245 WeakPolarHBondContact CA-O 3.08Å; P238-C254 HydrophobicContact CB-CB 4.3Å; P238-C254 HydrophobicContact CG-CB 4.16Å; P238-I258 HydrophobicContact CG-CD1 3.74Å
239V98.8Very high98.6Very high58 Ų5852 Ų5235%0.35229%0.294SS..G310 helixtrans-54.2-38.5174.2169.90000111.5Y241 G242 G243 M245 T246 P252V239-Y241 PolarHBondContact O-N 3.3Å; V239-G242 PolarHBondContact O-N 3.01Å; V239-G243 WeakPolarHBondContact CA-O 3.37Å; V239-M245 PolarHBondContact N-O 2.87Å; V239-T246 HydrophobicContact CG2-CG2 3.71Å; V239-P252 HydrophobicContact CB-CB 3.6Å; V239-P252 HydrophobicContact CG1-CB 3.7Å; V239-P252 PolarHBondContact N-O 3.21Å
240E98.7Very high98.6Very high55 Ų5551.5 Ų51.526%0.25730%0.302SS..G310 helixtrans-48.6-41.9172.5-178.563.5-141.200112.3K225 P238 P252 K253K225-E240 WeakPolarHBondContact CE-O 3.25Å; K225-E240 PolarHBondContact NZ-O 3.42Å; P238-E240 HydrophobicContact CB-CB 4.44Å; P238-E240 PolarHBondContact O-N 3.46Å; E240-P252 WeakPolarHBondContact CB-O 3.29Å; E240-P252 PolarHBondContact N-O 3.5Å; E240-K253 HydrophobicContact CB-CG 4.37Å; E240-K253 HydrophobicContact CG-CG 4.4Å; E240-K253 VanDerWaalsContact OE2-CE 3.29Å; E240-K253 WeakPolarHBondContact OE2-CE 3.37Å
241Y98.8Very high98.6Very high1 Ų147 Ų470%0.00429%0.285CS..G310 helixtrans-94.711.2-178.1-67.1-77000114.1Y100 I102 I152 D154 W224 P238 V239Y100-Y241 AromaticContact CD1-CD2 3.89Å; Y100-Y241 HydrophobicContact CD1-CD2 3.89Å; Y100-Y241 HydrophobicContact CD1-CE1 4.4Å; Y100-Y241 AromaticContact CD1-CE2 3.73Å; Y100-Y241 HydrophobicContact CD1-CE2 3.73Å; Y100-Y241 HydrophobicContact CD1-CG 4.32Å; Y100-Y241 HydrophobicContact CE1-CD1 4.17Å; Y100-Y241 AromaticContact CE1-CD2 3.48Å; Y100-Y241 HydrophobicContact CE1-CD2 3.48Å; Y100-Y241 VanDerWaalsContact CE1-CD2 3.48Å; Y100-Y241 HydrophobicContact CE1-CE1 4.5Å; Y100-Y241 AromaticContact CE1-CE2 3.84Å; Y100-Y241 HydrophobicContact CE1-CE2 3.84Å; Y100-Y241 AromaticContact CE1-CG 3.7Å; Y100-Y241 HydrophobicContact CE1-CG 3.7Å; I102-Y241 WeakPolarHBondContact CD1-OH 3.44Å; I152-Y241 HydrophobicContact CG2-CD1 4.37Å; I152-Y241 HydrophobicContact CG2-CE1 4.46Å; D154-Y241 HydrophobicContact CB-CE1 4.1Å; D154-Y241 VanDerWaalsContact OD2-CE1 3.26Å; D154-Y241 WeakPolarHBondContact OD2-CE1 3.33Å; D154-Y241 PolarHBondContact OD2-OH 3.16Å; W224-Y241 HydrophobicContact CH2-CD1 4.27Å; W224-Y241 AromaticContact CZ3-CD1 3.9Å; W224-Y241 HydrophobicContact CZ3-CD1 3.9Å; P238-Y241 HydrophobicContact CB-CD2 4.04Å; P238-Y241 HydrophobicContact CG-CD2 4.06Å; P238-Y241 CarbonylContact O-C 3.53Å; P238-Y241 WeakPolarHBondContact O-CA 3.06Å; P238-Y241 PolarHBondContact O-N 3.07Å; V239-Y241 PolarHBondContact O-N 3.3Å
242G98.4Very high98.6Very high22 Ų2246.5 Ų46.523%0.22729%0.287CS..THydrogen-bonded Turntrans97.33.3173.500000115.6L229 P238 V239L229-G242 WeakPolarHBondContact CD1-O 3.36Å; P238-G242 PolarHBondContact O-N 3.49Å; V239-G242 PolarHBondContact O-N 3.01Å
243G98.6Very high98.6Very high11 Ų1150.1 Ų50.111%0.11330%0.303CS..SBendtrans-91.4-150174.100000113.6P234 V237 P238 V239P234-G243 CarbonylContact O-C 3.53Å; P234-G243 WeakPolarHBondContact O-CA 3.47Å; V237-G243 CarbonylContact O-C 3.5Å; V237-G243 VanDerWaalsContact O-CA 3.32Å; V237-G243 WeakPolarHBondContact O-CA 3.18Å; P238-G243 PolarHBondContact O-N 2.75Å; P238-G243 VanDerWaalsContact O-N 3.11Å; V239-G243 WeakPolarHBondContact CA-O 3.37Å
244T98.8Very high98.6Very high91 Ų9148.1 Ų48.156%0.55829%0.289SS*.  trans-128.6-0.8-178.6620000113.1P234 D235 V237P234-T244 HydrophobicContact CB-CG2 4.18Å; P234-T244 PolarHBondContact O-N 3.48Å; P234-T244 PolarHBondContact O-OG1 3.11Å; D235-T244 WeakPolarHBondContact CA-OG1 3.33Å; D235-T244 PolarHBondContact N-OG1 2.73Å; V237-T244 PolarHBondContact O-N 2.92Å
245M98.8Very high98.5Very high32 Ų3251.6 Ų51.616%0.15830%0.299CS..BIsolated β-bridgetrans-69.8136.4177-169.3-173.9-67.100110.7C89 D235 V237 P238 V239C89-M245 PolarHBondContact SG-SD 3.45Å; D235-M245 WeakPolarHBondContact O-CE 3Å; V237-M245 VanDerWaalsContact O-CB 3.24Å; V237-M245 WeakPolarHBondContact O-CB 3.41Å; V237-M245 PolarHBondContact O-N 2.83Å; P238-M245 CarbonylContact C-O 3.49Å; P238-M245 WeakPolarHBondContact CA-O 3.08Å; V239-M245 PolarHBondContact N-O 2.87Å
246T98.8Very high98.5Very high64 Ų6451.8 Ų51.839%0.39331%0.306SS..  trans-134.2164.1173.655.90000109.3V239 N251V239-T246 HydrophobicContact CG2-CG2 3.71Å; T246-N251 WeakPolarHBondContact CA-O 3.36Å; T246-N251 WeakPolarHBondContact CB-O 3.26Å
247D98.6Very high98.5Very high12 Ų1254.9 Ų54.96%0.06432%0.319CS..  trans-65.2165.7163.5-76.6-39.5000111.1D249 G250 N251 C254 K255 S256D247-D249 WeakPolarHBondContact CB-OD1 3.33Å; D247-D249 PolarHBondContact O-N 3.04Å; D247-D249 VanDerWaalsContact O-N 3.07Å; D247-G250 PolarHBondContact O-N 3.02Å; D247-N251 HydrophobicContact CB-CB 3.98Å; D247-N251 PolarHBondContact N-O 3.44Å; D247-C254 VanDerWaalsContact CG-CA 3.46Å; D247-C254 VanDerWaalsContact OD1-C 3.32Å; D247-C254 VanDerWaalsContact OD1-CA 3.27Å; D247-C254 WeakPolarHBondContact OD1-CA 3.41Å; D247-C254 VanDerWaalsContact OD2-C 3.25Å; D247-C254 VanDerWaalsContact OD2-CA 3.32Å; D247-C254 WeakPolarHBondContact OD2-CA 3.22Å; D247-K255 PolarHBondContact OD1-N 3.44Å; D247-K255 PolarHBondContact OD2-N 3.46Å; D247-S256 WeakPolarHBondContact OD1-CB 3.15Å; D247-S256 PolarHBondContact OD1-N 3.15Å; D247-S256 VanDerWaalsContact OD1-N 3.13Å; D247-S256 PolarHBondContact OD1-OG 3.06Å; D247-S256 PolarHBondContact OD2-N 3.33Å
248P98Very high98.5Very high138 Ų13855 Ų5590%0.89632%0.32SS*.THydrogen-bonded Turntrans-55.9-24.7176.6-27.236.2000115.1G250P248-G250 VanDerWaalsContact C-N 3.32Å
249D97.8Very high98.5Very high128 Ų12856.7 Ų56.768%0.68433%0.329SS*.THydrogen-bonded Turntrans-87.53.4176.268.7-8.1000113.6D247 N251D247-D249 WeakPolarHBondContact CB-OD1 3.33Å; D247-D249 PolarHBondContact O-N 3.04Å; D247-D249 VanDerWaalsContact O-N 3.07Å; D249-N251 WeakPolarHBondContact OD1-CB 3.29Å; D249-N251 PolarHBondContact OD1-N 3.26Å
250G98.1Very high98.4Very high44 Ų4455.7 Ų55.745%0.45432%0.319SS..  trans85.16.2-177.800000114.6D247 P248 P252D247-G250 PolarHBondContact O-N 3.02Å; P248-G250 VanDerWaalsContact C-N 3.32Å; G250-P252 WeakPolarHBondContact O-CD 3.49Å
251N98.3Very high98.4Very high43 Ų4354 Ų5423%0.2332%0.316CS..  trans-63.8123.1179.8-165-39000111.4T246 D247 D249 K253 C254T246-N251 WeakPolarHBondContact CA-O 3.36Å; T246-N251 WeakPolarHBondContact CB-O 3.26Å; D247-N251 HydrophobicContact CB-CB 3.98Å; D247-N251 PolarHBondContact N-O 3.44Å; D249-N251 WeakPolarHBondContact OD1-CB 3.29Å; D249-N251 PolarHBondContact OD1-N 3.26Å; N251-K253 PolarHBondContact O-N 3.3Å; N251-K253 VanDerWaalsContact O-N 3.15Å; N251-K253 WeakPolarHBondContact OD1-CB 3.4Å; N251-K253 PolarHBondContact OD1-N 3.48Å; N251-K253 VanDerWaalsContact OD1-N 3.11Å; N251-C254 PolarHBondContact O-N 2.9Å
252P98.5Very high98.3Very high53 Ų5355 Ų5534%0.34433%0.327SS..THydrogen-bonded Turntrans-70.3-11.4-175.629.3-37.2000114.3V239 E240 G250V239-P252 HydrophobicContact CB-CB 3.6Å; V239-P252 HydrophobicContact CG1-CB 3.7Å; V239-P252 PolarHBondContact N-O 3.21Å; E240-P252 WeakPolarHBondContact CB-O 3.29Å; E240-P252 PolarHBondContact N-O 3.5Å; G250-P252 WeakPolarHBondContact O-CD 3.49Å
253K98.5Very high98.3Very high76 Ų7660.1 Ų60.133%0.3335%0.349SS..THydrogen-bonded Turntrans-90.2-9.5-176.1-69.8-168.9174.4-166.80113.8E240 N251 K255 Y260E240-K253 HydrophobicContact CB-CG 4.37Å; E240-K253 HydrophobicContact CG-CG 4.4Å; E240-K253 VanDerWaalsContact OE2-CE 3.29Å; E240-K253 WeakPolarHBondContact OE2-CE 3.37Å; N251-K253 PolarHBondContact O-N 3.3Å; N251-K253 VanDerWaalsContact O-N 3.15Å; N251-K253 WeakPolarHBondContact OD1-CB 3.4Å; N251-K253 PolarHBondContact OD1-N 3.48Å; N251-K253 VanDerWaalsContact OD1-N 3.11Å; K253-K255 VanDerWaalsContact C-N 3.26Å; K253-K255 HydrophobicContact CB-CG 3.96Å; K253-K255 PolarHBondContact O-N 3.35Å; K253-Y260 WeakPolarHBondContact CA-OH 3.37Å; K253-Y260 HydrophobicContact CB-CD2 4.46Å; K253-Y260 HydrophobicContact CB-CE2 3.61Å; K253-Y260 HydrophobicContact CD-CE1 4.21Å; K253-Y260 HydrophobicContact CD-CE2 4.35Å; K253-Y260 HydrophobicContact CG-CE1 4.46Å; K253-Y260 HydrophobicContact CG-CE2 4.34Å; K253-Y260 WeakPolarHBondContact O-CE2 3.46Å; K253-Y260 PolarHBondContact O-OH 3.05Å
254C98.6Very high98.3Very high1 Ų159.9 Ų59.91%0.00735%0.345CS..  trans51.645.2-176.7-610000112.6P238 D247 N251 S256 K257 I258P238-C254 HydrophobicContact CB-CB 4.3Å; P238-C254 HydrophobicContact CG-CB 4.16Å; D247-C254 VanDerWaalsContact CG-CA 3.46Å; D247-C254 VanDerWaalsContact OD1-C 3.32Å; D247-C254 VanDerWaalsContact OD1-CA 3.27Å; D247-C254 WeakPolarHBondContact OD1-CA 3.41Å; D247-C254 VanDerWaalsContact OD2-C 3.25Å; D247-C254 VanDerWaalsContact OD2-CA 3.32Å; D247-C254 WeakPolarHBondContact OD2-CA 3.22Å; N251-C254 PolarHBondContact O-N 2.9Å; C254-S256 PolarHBondContact O-N 3.29Å; C254-S256 VanDerWaalsContact O-N 3.16Å; C254-K257 PolarHBondContact O-N 3.46Å; C254-I258 HydrophobicContact CB-CD1 4.41Å; C254-I258 PolarHBondContact O-N 2.93Å
255K98.1Very high98.3Very high126 Ų12657.7 Ų57.755%0.54833%0.333SS..THydrogen-bonded Turntrans-61.9-19.7-177.3-69.9-169175.9-171.60113.4D247 K253 K257 I258 Y260D247-K255 PolarHBondContact OD1-N 3.44Å; D247-K255 PolarHBondContact OD2-N 3.46Å; K253-K255 VanDerWaalsContact C-N 3.26Å; K253-K255 HydrophobicContact CB-CG 3.96Å; K253-K255 PolarHBondContact O-N 3.35Å; K255-K257 PolarHBondContact O-N 2.88Å; K255-I258 WeakPolarHBondContact CA-O 3.32Å; K255-Y260 HydrophobicContact CG-CD2 4.18Å; K255-Y260 HydrophobicContact CG-CE2 4.29Å
256S98Very high98.2Very high84 Ų8463.4 Ų63.459%0.58736%0.356SS*.THydrogen-bonded Turntrans-64.7-16.4170.668.70000113.3D247 C254D247-S256 WeakPolarHBondContact OD1-CB 3.15Å; D247-S256 PolarHBondContact OD1-N 3.15Å; D247-S256 VanDerWaalsContact OD1-N 3.13Å; D247-S256 PolarHBondContact OD1-OG 3.06Å; D247-S256 PolarHBondContact OD2-N 3.33Å; C254-S256 PolarHBondContact O-N 3.29Å; C254-S256 VanDerWaalsContact O-N 3.16Å
257K98.2Very high98.1Very high114 Ų11468.4 Ų68.450%0.49637%0.373SS..THydrogen-bonded Turntrans-124-32.8-176.7-64.5176.5-175.4-66.50113.5G87 C89 C254 K255G87-K257 WeakPolarHBondContact CA-O 3.36Å; C89-K257 HydrophobicContact CB-CB 4.16Å; C89-K257 HydrophobicContact CB-CD 4.31Å; C254-K257 PolarHBondContact O-N 3.46Å; K255-K257 PolarHBondContact O-N 2.88Å
258I98.8Very high98.1Very high2 Ų269.9 Ų69.91%0.0138%0.378CS..  trans-115.3119-174.1-54.5174.3000109.3C89 Y100 I102 P238 C254 K255 Y260C89-I258 HydrophobicContact CB-CD1 3.8Å; C89-I258 HydrophobicContact CB-CG1 3.79Å; Y100-I258 HydrophobicContact CD1-CD1 4.25Å; Y100-I258 HydrophobicContact CD2-CD1 3.88Å; Y100-I258 HydrophobicContact CD2-CG1 4.44Å; Y100-I258 HydrophobicContact CE2-CD1 4.26Å; Y100-I258 HydrophobicContact CG-CD1 3.89Å; I102-I258 HydrophobicContact CD1-CG2 4.21Å; I102-I258 HydrophobicContact CG1-CG2 4.04Å; P238-I258 HydrophobicContact CG-CD1 3.74Å; C254-I258 HydrophobicContact CB-CD1 4.41Å; C254-I258 PolarHBondContact O-N 2.93Å; K255-I258 WeakPolarHBondContact CA-O 3.32Å; I258-Y260 HydrophobicContact CB-CE2 3.92Å; I258-Y260 HydrophobicContact CG2-CD2 4.23Å; I258-Y260 HydrophobicContact CG2-CE2 3.74Å; I258-Y260 VanDerWaalsContact O-CD2 3.32Å; I258-Y260 WeakPolarHBondContact O-CD2 3.46Å
259N98.5Very high98.1Very high36 Ų3665.7 Ų65.719%0.19334%0.344CS..BIsolated β-bridgetrans-80.4135170.4-170.2-57.1000109.9Q81 Q82 L84 S85 G86 G261Q81-N259 PolarHBondContact O-ND2 3.22Å; Q81-N259 VanDerWaalsContact O-ND2 3.13Å; Q82-N259 PolarHBondContact O-ND2 2.68Å; L84-N259 WeakPolarHBondContact O-CB 2.75Å; L84-N259 VanDerWaalsContact O-CG 3.26Å; L84-N259 PolarHBondContact O-OD1 3.15Å; S85-N259 CarbonylContact C-O 3.56Å; S85-N259 WeakPolarHBondContact CA-O 3.4Å; G86-N259 PolarHBondContact N-O 2.78Å; G86-N259 WeakPolarHBondContact O-CB 3.5Å; G86-N259 PolarHBondContact O-N 3.11Å; N259-G261 WeakPolarHBondContact OD1-CA 3.38Å; N259-G261 PolarHBondContact OD1-N 2.61Å
260Y98.5Very high98Very high36 Ų3664.4 Ų64.414%0.14134%0.341CS..  trans-104.917.6-178.2-77.5-95000113.4I102 P105 K253 K255 I258I102-Y260 HydrophobicContact CG1-CD1 4.36Å; I102-Y260 HydrophobicContact CG1-CE1 4.46Å; I102-Y260 HydrophobicContact CG2-CD1 4.14Å; P105-Y260 WeakPolarHBondContact CB-O 3.21Å; P105-Y260 WeakPolarHBondContact CG-O 3.29Å; K253-Y260 WeakPolarHBondContact CA-OH 3.37Å; K253-Y260 HydrophobicContact CB-CD2 4.46Å; K253-Y260 HydrophobicContact CB-CE2 3.61Å; K253-Y260 HydrophobicContact CD-CE1 4.21Å; K253-Y260 HydrophobicContact CD-CE2 4.35Å; K253-Y260 HydrophobicContact CG-CE1 4.46Å; K253-Y260 HydrophobicContact CG-CE2 4.34Å; K253-Y260 WeakPolarHBondContact O-CE2 3.46Å; K253-Y260 PolarHBondContact O-OH 3.05Å; K255-Y260 HydrophobicContact CG-CD2 4.18Å; K255-Y260 HydrophobicContact CG-CE2 4.29Å; I258-Y260 HydrophobicContact CB-CE2 3.92Å; I258-Y260 HydrophobicContact CG2-CD2 4.23Å; I258-Y260 HydrophobicContact CG2-CE2 3.74Å; I258-Y260 VanDerWaalsContact O-CD2 3.32Å; I258-Y260 WeakPolarHBondContact O-CD2 3.46Å
261G97.7Very high97.8Very high19 Ų1966.5 Ų66.520%0.19634%0.335CS..  trans61.1-140.2-178.800000113Y83 N259Y83-G261 WeakPolarHBondContact O-CA 3.5Å; N259-G261 WeakPolarHBondContact OD1-CA 3.38Å; N259-G261 PolarHBondContact OD1-N 2.61Å
262G97.7Very high97.3Very high23 Ų2369 Ų6924%0.23735%0.349CS..BIsolated β-bridgetrans123.7164.1-175.200000111.9P105 I264P105-G262 PolarHBondContact O-N 2.95Å; G262-I264 PolarHBondContact O-N 3.42Å
263D98Very high96.7Very high129 Ų12969.7 Ų69.769%0.6935%0.347SS*.PPolyproline II helixtrans-67.6130.3179.1-62.9-29.8000110.5P265D263-P265 WeakPolarHBondContact O-CD 3.37Å
264I98.3Very high96Very high7 Ų768 Ų684%0.03634%0.343CS..PPolyproline II helixtrans-81.9126-176.3-70.4163.7000109.8V79 Y83 D107 G110 L111 G262 K266 Y268 Y269V79-I264 HydrophobicContact CG2-CD1 3.95Å; V79-I264 HydrophobicContact CG2-CG1 4.17Å; V79-I264 HydrophobicContact CG2-CG2 3.64Å; Y83-I264 HydrophobicContact CD1-CG1 3.89Å; Y83-I264 HydrophobicContact CD2-CG1 3.99Å; Y83-I264 HydrophobicContact CG-CD1 4.39Å; Y83-I264 HydrophobicContact CG-CG1 3.56Å; D107-I264 HydrophobicContact CB-CD1 4.48Å; D107-I264 HydrophobicContact CB-CG1 4.46Å; D107-I264 PolarHBondContact OD2-N 3.32Å; G110-I264 VanDerWaalsContact C-CD1 3.44Å; L111-I264 HydrophobicContact CB-CD1 4.09Å; L111-I264 HydrophobicContact CD2-CD1 3.56Å; L111-I264 HydrophobicContact CG-CD1 3.49Å; L111-I264 VanDerWaalsContact CG-CD1 3.49Å; L111-I264 VanDerWaalsContact N-CD1 3.26Å; G262-I264 PolarHBondContact O-N 3.42Å; I264-K266 PolarHBondContact O-N 3.46Å; I264-Y268 HydrophobicContact CG2-CD2 4.05Å; I264-Y268 HydrophobicContact CG2-CG 4.34Å; I264-Y269 HydrophobicContact CB-CE1 4.2Å; I264-Y269 HydrophobicContact CG2-CD1 4.29Å; I264-Y269 HydrophobicContact CG2-CE1 3.88Å
265P98.1Very high95.1Very high45 Ų4577.6 Ų77.629%0.29239%0.385SS..PPolyproline II helixtrans-56.8134.2175.1-27.535.7000112Y83 D263 K267 Y268Y83-P265 VanDerWaalsContact OH-CD 3.23Å; Y83-P265 WeakPolarHBondContact OH-CD 3.48Å; Y83-P265 WeakPolarHBondContact OH-CG 3.29Å; D263-P265 WeakPolarHBondContact O-CD 3.37Å; P265-K267 HydrophobicContact CB-CG 3.9Å; P265-K267 PolarHBondContact O-N 3.12Å; P265-Y268 HydrophobicContact CB-CD2 3.95Å; P265-Y268 HydrophobicContact CB-CE2 4.16Å; P265-Y268 HydrophobicContact CG-CD2 4.14Å; P265-Y268 HydrophobicContact CG-CE2 4Å; P265-Y268 PolarHBondContact O-N 3.3Å
266K96.9Very high94.2Very high151 Ų15173.7 Ų73.766%0.65737%0.369SS*.G310 helixtrans-56.8-22-178.1-60.8-59.5-176.7-177.10114.1I264 Y268 Y269I264-K266 PolarHBondContact O-N 3.46Å; K266-Y268 PolarHBondContact O-N 3.23Å; K266-Y269 HydrophobicContact CD-CD1 4.28Å; K266-Y269 HydrophobicContact CD-CD2 3.86Å; K266-Y269 HydrophobicContact CD-CE1 3.92Å; K266-Y269 HydrophobicContact CD-CE2 3.47Å; K266-Y269 VanDerWaalsContact CD-CE2 3.47Å; K266-Y269 HydrophobicContact CD-CG 4.27Å; K266-Y269 VanDerWaalsContact NZ-CZ 3.31Å; K266-Y269 PolarHBondContact NZ-OH 2.83Å; K266-Y269 WeakPolarHBondContact O-CB 3.09Å; K266-Y269 PolarHBondContact O-N 3.24Å
267K97.4Very high93.6Very high169 Ų16978.3 Ų78.374%0.73538%0.381SS*.G310 helixtrans-60-21.7173.265.5170.9-175.5172.90114.2P265P265-K267 HydrophobicContact CB-CG 3.9Å; P265-K267 PolarHBondContact O-N 3.12Å
268Y98Very high93.3Very high43 Ų4375.2 Ų75.217%0.16937%0.366CS..G310 helixtrans-85.4-11175.9-68.3-75000112.9E78 V79 Y83 S114 I264 P265 K266 V270E78-Y268 PolarHBondContact OE1-OH 3.39Å; V79-Y268 HydrophobicContact CB-CD1 3.94Å; V79-Y268 HydrophobicContact CB-CE1 4.49Å; V79-Y268 HydrophobicContact CB-CG 4.13Å; V79-Y268 HydrophobicContact CG2-CD1 4.33Å; V79-Y268 HydrophobicContact CG2-CD2 4.43Å; V79-Y268 HydrophobicContact CG2-CG 4.01Å; Y83-Y268 HydrophobicContact CE2-CD2 4.33Å; Y83-Y268 AromaticContact CE2-CE2 3.85Å; Y83-Y268 HydrophobicContact CE2-CE2 3.85Å; S114-Y268 WeakPolarHBondContact CA-O 3.4Å; S114-Y268 VanDerWaalsContact CB-O 3.24Å; S114-Y268 WeakPolarHBondContact CB-O 3.21Å; S114-Y268 PolarHBondContact OG-O 3.36Å; I264-Y268 HydrophobicContact CG2-CD2 4.05Å; I264-Y268 HydrophobicContact CG2-CG 4.34Å; P265-Y268 HydrophobicContact CB-CD2 3.95Å; P265-Y268 HydrophobicContact CB-CE2 4.16Å; P265-Y268 HydrophobicContact CG-CD2 4.14Å; P265-Y268 HydrophobicContact CG-CE2 4Å; P265-Y268 PolarHBondContact O-N 3.3Å; K266-Y268 PolarHBondContact O-N 3.23Å; Y268-V270 PolarHBondContact O-N 3.02Å
269Y97.8Very high93.1Very high50 Ų5081.2 Ų81.220%0.19639%0.394CS..  trans-72.6125.9-173.3-74.130.2000109.3G110 F113 S114 I264 K266G110-Y269 WeakPolarHBondContact CA-OH 3.38Å; F113-Y269 HydrophobicContact CB-CD2 3.77Å; F113-Y269 HydrophobicContact CB-CE2 3.95Å; F113-Y269 HydrophobicContact CB-CG 4.07Å; F113-Y269 AromaticContact CD2-CD2 3.67Å; F113-Y269 HydrophobicContact CD2-CD2 3.67Å; F113-Y269 AromaticContact CD2-CE2 3.55Å; F113-Y269 HydrophobicContact CD2-CE2 3.55Å; F113-Y269 HydrophobicContact CE2-CE2 4.5Å; F113-Y269 HydrophobicContact CG-CD2 4.25Å; F113-Y269 HydrophobicContact CG-CE2 4.22Å; S114-Y269 VanDerWaalsContact OG-CD1 3.23Å; S114-Y269 WeakPolarHBondContact OG-CD1 3.22Å; I264-Y269 HydrophobicContact CB-CE1 4.2Å; I264-Y269 HydrophobicContact CG2-CD1 4.29Å; I264-Y269 HydrophobicContact CG2-CE1 3.88Å; K266-Y269 HydrophobicContact CD-CD1 4.28Å; K266-Y269 HydrophobicContact CD-CD2 3.86Å; K266-Y269 HydrophobicContact CD-CE1 3.92Å; K266-Y269 HydrophobicContact CD-CE2 3.47Å; K266-Y269 VanDerWaalsContact CD-CE2 3.47Å; K266-Y269 HydrophobicContact CD-CG 4.27Å; K266-Y269 VanDerWaalsContact NZ-CZ 3.31Å; K266-Y269 PolarHBondContact NZ-OH 2.83Å; K266-Y269 WeakPolarHBondContact O-CB 3.09Å; K266-Y269 PolarHBondContact O-N 3.24Å
270V96.3Very high92.9Very high102 Ų10282.9 Ų82.962%0.61840%0.401SS*.SBendtrans-104.6-5.9176.3-60.50000112.2F113 Y268F113-V270 VanDerWaalsContact O-CG2 3.28Å; F113-V270 WeakPolarHBondContact O-CG2 3.49Å; F113-V270 PolarHBondContact O-N 3.25Å; Y268-V270 PolarHBondContact O-N 3.02Å
271R92.7Very high92.8Very high88 Ų8884.3 Ų84.333%0.33242%0.416SS..  trans-153.3156.6174.265-168.473.9100.74.6110.2L112 F113 A115 Q273L112-R271 PolarHBondContact O-NH1 3.33Å; F113-R271 HydrophobicContact CB-CG 4.42Å; F113-R271 WeakPolarHBondContact CB-O 3.46Å; F113-R271 HydrophobicContact CD1-CG 4.44Å; F113-R271 WeakPolarHBondContact CD2-O 3.45Å; F113-R271 PolarHBondContact O-N 3.25Å; A115-R271 PolarHBondContact O-NH1 3.43Å; R271-Q273 WeakPolarHBondContact CD-O 3.45Å; R271-Q273 WeakPolarHBondContact CG-O 3.27Å
272D88.2Confident92.8Very high95 Ų9584.8 Ų84.851%0.50842%0.415SS..SBendtrans-104-8.3176.956.5-2000113F113 V347F113-D272 VanDerWaalsContact CE2-C 3.43Å; F113-D272 WeakPolarHBondContact CE2-O 3.24Å; F113-D272 WeakPolarHBondContact CZ-O 3.49Å; D272-V347 HydrophobicContact CB-CG2 4.41Å
273Q85.7Confident92.6Very high68 Ų6889.7 Ų89.732%0.31843%0.432SS..  trans-150.2159.6176.863.5-174.3-43.100112.1R271 L346 V347R271-Q273 WeakPolarHBondContact CD-O 3.45Å; R271-Q273 WeakPolarHBondContact CG-O 3.27Å; Q273-L346 PolarHBondContact NE2-O 2.74Å; Q273-V347 HydrophobicContact CB-CG1 4.37Å
274V84Confident92.5Very high39 Ų3983.7 Ų83.724%0.23640%0.4CS..  trans-107.1136167.4177.20000107.4F113 W164 P166 Q276F113-V274 HydrophobicContact CD1-CG2 4.16Å; F113-V274 HydrophobicContact CE1-CG2 4.02Å; W164-V274 HydrophobicContact CH2-CB 4.44Å; W164-V274 HydrophobicContact CH2-CG2 3.84Å; W164-V274 HydrophobicContact CZ2-CG2 4.42Å; P166-V274 HydrophobicContact CB-CG1 4.44Å; V274-Q276 WeakPolarHBondContact O-CG 3.21Å; V274-Q276 PolarHBondContact O-N 3.29Å
275K80.3Confident92.2Very high204 Ų20487 Ų8789%0.88742%0.423SS*.  trans-62.6129.7177.8-172.9176.3-177177.40109.6
276Q79.5Confident91.9Very high44 Ų4492.8 Ų92.821%0.20644%0.439CS..  trans-132.7155-179.2-67-167.332.600112.1P166 V274 Q306P166-Q276 HydrophobicContact CG-CG 4.49Å; P166-Q276 VanDerWaalsContact CG-NE2 3.3Å; V274-Q276 WeakPolarHBondContact O-CG 3.21Å; V274-Q276 PolarHBondContact O-N 3.29Å; Q276-Q306 VanDerWaalsContact NE2-CD 3.29Å
277Q85.8Confident91.5Very high180 Ų18088 Ų8884%0.84143%0.433SS*.  trans-101.9142.5171.6-64.9-174.8-2.900109
278Y91.7Very high91.3Very high49 Ų4982.2 Ų82.219%0.19241%0.414CS..  trans-109.9136.1178.8-62-76.9000109.8Q306 M308 P348 N378 T380Y278-Q306 HydrophobicContact CE1-CB 4.39Å; Y278-Q306 HydrophobicContact CE1-CG 3.99Å; Y278-Q306 PolarHBondContact OH-NE2 2.86Å; Y278-M308 HydrophobicContact CE2-CB 4.16Å; Y278-M308 HydrophobicContact CE2-CE 3.74Å; Y278-P348 VanDerWaalsContact OH-CB 3.28Å; Y278-P348 WeakPolarHBondContact OH-CB 3.33Å; Y278-P348 VanDerWaalsContact OH-CG 3.3Å; Y278-P348 WeakPolarHBondContact OH-CG 3.31Å; Y278-N378 HydrophobicContact CD1-CB 4.43Å; Y278-N378 HydrophobicContact CD2-CB 3.54Å; Y278-N378 HydrophobicContact CE2-CB 4.23Å; Y278-N378 HydrophobicContact CG-CB 3.67Å; Y278-T380 WeakPolarHBondContact CA-OG1 3.24Å
279E93.6Very high91.1Very high129 Ų12980.8 Ų80.860%0.60341%0.41SS*.SBendtrans-68.4-35177.1-169.9176.7-17900112.8F379 T380E279-F379 PolarHBondContact N-O 2.62Å; E279-T380 HydrophobicContact CB-CG2 4.24Å; E279-T380 PolarHBondContact N-OG1 2.81Å
280H95.4Very high91Very high70 Ų7081.2 Ų81.232%0.32441%0.414SS..EExtended strand (participates in β ladder)trans-124.9148.8-175.6-56.4-52.2000112N378 F379H280-N378 CarbonylContact O-C 3.59Å; H280-N378 VanDerWaalsContact O-CA 3.24Å; H280-N378 WeakPolarHBondContact O-CA 3.07Å; H280-F379 HydrophobicContact CB-CD1 4.1Å; H280-F379 HydrophobicContact CB-CD2 4.39Å; H280-F379 HydrophobicContact CB-CE1 3.74Å; H280-F379 HydrophobicContact CB-CE2 4.07Å; H280-F379 HydrophobicContact CB-CG 4.42Å; H280-F379 HydrophobicContact CB-CZ 3.73Å; H280-F379 AromaticContact CD2-CE2 3.67Å; H280-F379 AromaticContact CD2-CZ 3.99Å; H280-F379 PolarHBondContact N-O 3.14Å; H280-F379 PolarHBondContact O-N 3.26Å
281S96.4Very high90.9Very high67 Ų6777.8 Ų77.847%0.46939%0.391SS..EExtended strand (participates in β ladder)trans-138.2118.8172.8158.30000108.5K376 V377 N378S281-K376 WeakPolarHBondContact OG-CE 3.42Å; S281-V377 WeakPolarHBondContact CA-O 3.4Å; S281-N378 WeakPolarHBondContact CB-OD1 3.17Å; S281-N378 PolarHBondContact OG-OD1 2.89Å
282V96.1Very high91Very high28 Ų2874.8 Ų74.817%0.1738%0.382CS..EExtended strand (participates in β ladder)trans-126.4144.8-177.4-61.30000111.4I284 H290 K376 V377 F379V282-I284 HydrophobicContact CG2-CD1 4.4Å; V282-I284 HydrophobicContact CG2-CG1 4.12Å; V282-H290 HydrophobicContact CG2-CB 4.41Å; V282-K376 CarbonylContact O-C 3.55Å; V282-K376 WeakPolarHBondContact O-CA 3.34Å; V282-V377 HydrophobicContact CG2-CB 4.16Å; V282-V377 PolarHBondContact N-O 2.9Å; V282-V377 PolarHBondContact O-N 2.91Å; V282-F379 HydrophobicContact CG1-CE1 3.95Å; V282-F379 HydrophobicContact CG2-CD1 4.31Å; V282-F379 HydrophobicContact CG2-CE1 3.82Å
283Q95.2Very high91.3Very high126 Ų12673.1 Ų73.159%0.58937%0.371SS*.EExtended strand (participates in β ladder)trans-97.6120.3169.4-79.4-761.800109.1
284I94.6Very high91.7Very high4 Ų472.6 Ų72.62%0.02137%0.367CS..EExtended strand (participates in β ladder)trans-105.3106.9179-47.9-178.1000108.2V282 H290 F365 N367 A374 K375 V377V282-I284 HydrophobicContact CG2-CD1 4.4Å; V282-I284 HydrophobicContact CG2-CG1 4.12Å; I284-H290 HydrophobicContact CD1-CB 3.79Å; I284-H290 HydrophobicContact CG1-CB 3.97Å; I284-F365 HydrophobicContact CD1-CB 3.47Å; I284-F365 VanDerWaalsContact CD1-CB 3.47Å; I284-F365 HydrophobicContact CD1-CG 4.48Å; I284-N367 HydrophobicContact CB-CB 4.19Å; I284-N367 HydrophobicContact CG2-CB 3.63Å; I284-N367 PolarHBondContact O-ND2 2.72Å; I284-A374 CarbonylContact O-C 3.47Å; I284-A374 VanDerWaalsContact O-CA 3.27Å; I284-A374 WeakPolarHBondContact O-CA 3.47Å; I284-K375 PolarHBondContact N-O 2.92Å; I284-K375 PolarHBondContact O-N 2.77Å; I284-V377 HydrophobicContact CD1-CB 4.43Å; I284-V377 HydrophobicContact CD1-CG2 3.74Å; I284-V377 HydrophobicContact CG1-CG2 4.33Å
285S93.1Very high92.2Very high75 Ų7576 Ų7652%0.52438%0.38SS..  trans-55.8154.8176.3-530000111.7S288 N367S285-S288 VanDerWaalsContact O-CB 3.3Å; S285-S288 WeakPolarHBondContact O-CB 3.39Å; S285-S288 PolarHBondContact O-N 3.26Å; S285-S288 VanDerWaalsContact O-N 3.17Å; S285-N367 PolarHBondContact O-ND2 2.66Å
286R90.3Very high92.8Very high168 Ų16866.6 Ų66.663%0.63434%0.34SS*.THydrogen-bonded Turntrans-53.2143.6171.969.5177.4-175.7179.8-1.4110.9S288R286-S288 PolarHBondContact O-N 2.99Å; R286-S288 VanDerWaalsContact O-N 3.17Å
287G90.1Very high93.2Very high51 Ų5169.7 Ų69.753%0.52636%0.357SS..THydrogen-bonded Turntrans70.45.5179.100000114.4N367G287-N367 PolarHBondContact N-O 2.88Å; G287-N367 VanDerWaalsContact N-O 3.12Å
288S92.3Very high93.1Very high47 Ų4768.3 Ų68.333%0.32935%0.348SS..  trans-119175.7-174.5-1650000112.2S285 R286 N367 T368S285-S288 VanDerWaalsContact O-CB 3.3Å; S285-S288 WeakPolarHBondContact O-CB 3.39Å; S285-S288 PolarHBondContact O-N 3.26Å; S285-S288 VanDerWaalsContact O-N 3.17Å; R286-S288 PolarHBondContact O-N 2.99Å; R286-S288 VanDerWaalsContact O-N 3.17Å; S288-N367 CarbonylContact O-C 3.56Å; S288-N367 WeakPolarHBondContact O-CA 3.49Å; S288-N367 PolarHBondContact O-N 2.88Å; S288-T368 PolarHBondContact O-N 2.85Å
289S93.9Very high92.9Very high12 Ų1269 Ų698%0.08436%0.359CS..EExtended strand (participates in β ladder)trans-146.4152.7175.448.50000110.5R327 R364 F365S289-R327 PolarHBondContact O-NH2 2.93Å; S289-R327 PolarHBondContact OG-NH2 2.99Å; S289-R364 PolarHBondContact OG-NE 3.35Å; S289-R364 PolarHBondContact OG-NH2 3.48Å; S289-F365 CarbonylContact C-O 3.6Å; S289-F365 WeakPolarHBondContact CA-O 2.87Å; S289-F365 WeakPolarHBondContact CB-O 3.4Å
290H95.1Very high92.6Very high60 Ų6064.4 Ų64.428%0.27835%0.346SS..EExtended strand (participates in β ladder)trans-112.3147.1172.4-176.474.7000109.2V282 I284 R364 F365 F379V282-H290 HydrophobicContact CG2-CB 4.41Å; I284-H290 HydrophobicContact CD1-CB 3.79Å; I284-H290 HydrophobicContact CG1-CB 3.97Å; H290-R364 CarbonylContact O-C 3.48Å; H290-R364 WeakPolarHBondContact O-CA 3.19Å; H290-F365 PolarHBondContact N-O 3.05Å; H290-F365 PolarHBondContact O-N 2.97Å; H290-F379 AromaticContact NE2-CZ 3.83Å
291Q94.4Very high92.5Very high29 Ų2961.2 Ų61.214%0.13633%0.332CS..EExtended strand (participates in β ladder)trans-143.3147.517771.4-165.459.400111E293 V362 L363 R364Q291-E293 PolarHBondContact NE2-OE1 3.09Å; Q291-V362 HydrophobicContact CB-CG1 3.8Å; Q291-V362 HydrophobicContact CG-CG1 4.09Å; Q291-L363 VanDerWaalsContact CA-O 3.24Å; Q291-L363 WeakPolarHBondContact CA-O 3.17Å; Q291-R364 HydrophobicContact CB-CB 4.31Å; Q291-R364 HydrophobicContact CB-CG 4.35Å
292V95.1Very high92.5Very high26 Ų2658 Ų5816%0.15831%0.309CS..EExtended strand (participates in β ladder)trans-119.3145.2169.1-65.80000108.9Y294 V362 L363 F379 V381V292-Y294 HydrophobicContact CB-CE2 4.16Å; V292-Y294 HydrophobicContact CG2-CE2 3.84Å; V292-V362 WeakPolarHBondContact O-CA 3.48Å; V292-L363 HydrophobicContact CG2-CB 3.88Å; V292-L363 HydrophobicContact CG2-CD1 4.26Å; V292-L363 PolarHBondContact N-O 3.14Å; V292-L363 PolarHBondContact O-N 2.81Å; V292-F379 HydrophobicContact CG1-CE2 3.88Å; V292-F379 HydrophobicContact CG1-CZ 3.82Å; V292-F379 HydrophobicContact CG2-CE2 4.34Å; V292-V381 HydrophobicContact CG2-CG2 4.26Å
293E95Very high92.5Very high59 Ų5956.7 Ų56.728%0.27630%0.301SS..EExtended strand (participates in β ladder)trans-123.4131.4-171.8-55.5-166166.200110.1Q291 K321 I360 Y361 V362Q291-E293 PolarHBondContact NE2-OE1 3.09Å; E293-K321 IonicContact OE1-NZ 2.7Å; E293-K321 PolarHBondContact OE1-NZ 2.68Å; E293-K321 VanDerWaalsContact OE2-CE 3.29Å; E293-K321 WeakPolarHBondContact OE2-CE 3.37Å; E293-K321 IonicContact OE2-NZ 2.66Å; E293-K321 PolarHBondContact OE2-NZ 3.26Å; E293-I360 HydrophobicContact CB-CG2 3.8Å; E293-I360 HydrophobicContact CG-CG2 4.45Å; E293-Y361 WeakPolarHBondContact CA-O 3.38Å; E293-V362 HydrophobicContact CG-CG1 4.37Å; E293-V362 HydrophobicContact CG-CG2 4.09Å
294Y94.4Very high92.6Very high57 Ų5751.6 Ų51.622%0.22428%0.277CS..EExtended strand (participates in β ladder)trans-124.3115.2178.3-70.7-94.1000109.7V292 I296 L303 I360 Y361 L363 V381 V383V292-Y294 HydrophobicContact CB-CE2 4.16Å; V292-Y294 HydrophobicContact CG2-CE2 3.84Å; Y294-I296 PolarHBondContact O-N 3.25Å; Y294-L303 HydrophobicContact CD2-CD2 4.39Å; Y294-L303 HydrophobicContact CG-CD2 4.3Å; Y294-I360 WeakPolarHBondContact O-CA 3.33Å; Y294-Y361 PolarHBondContact N-O 3.16Å; Y294-Y361 PolarHBondContact O-N 3.14Å; Y294-L363 HydrophobicContact CD2-CD1 3.68Å; Y294-L363 HydrophobicContact CE2-CD1 4.07Å; Y294-V381 HydrophobicContact CD2-CG1 4.15Å; Y294-V381 HydrophobicContact CE2-CB 3.92Å; Y294-V381 HydrophobicContact CE2-CG1 3.45Å; Y294-V381 VanDerWaalsContact CE2-CG1 3.45Å; Y294-V381 WeakPolarHBondContact OH-CB 3.47Å; Y294-V381 PolarHBondContact OH-O 2.8Å; Y294-V381 VanDerWaalsContact OH-O 3.14Å; Y294-V383 HydrophobicContact CD1-CG2 3.41Å; Y294-V383 VanDerWaalsContact CD1-CG2 3.41Å; Y294-V383 HydrophobicContact CE1-CG2 3.99Å; Y294-V383 HydrophobicContact CG-CG2 4Å
295E94.1Very high92.7Very high110 Ų11052.5 Ų52.551%0.51428%0.28SS..EExtended strand (participates in β ladder)trans-77.7113.7173.6-173.3171.6-151.400110.2L297 M324 I360E295-L297 HydrophobicContact CG-CD2 3.92Å; E295-L297 HydrophobicContact CG-CG 4.38Å; E295-M324 HydrophobicContact CB-CE 3.84Å; E295-I360 HydrophobicContact CB-CG1 4.23Å; E295-I360 HydrophobicContact CG-CG1 4.27Å
296I92.9Very high92.8Very high8 Ų849.5 Ų49.54%0.04126%0.257CS..EExtended strand (participates in β ladder)trans-105.6108.8179-55.7-54.1000108.4Y294 F298 C301 C355 P358 G359 Y361 V383Y294-I296 PolarHBondContact O-N 3.25Å; I296-F298 WeakPolarHBondContact CG2-O 3.47Å; I296-C301 VanDerWaalsContact CG2-SG 3.55Å; I296-C355 HydrophobicContact CG1-CB 4.43Å; I296-C355 HydrophobicContact CG2-CB 3.97Å; I296-P358 CarbonylContact O-C 3.33Å; I296-P358 WeakPolarHBondContact O-CA 3.5Å; I296-P358 WeakPolarHBondContact O-CB 3.36Å; I296-G359 PolarHBondContact N-O 3.02Å; I296-G359 PolarHBondContact O-N 2.88Å; I296-Y361 HydrophobicContact CB-CD2 4.01Å; I296-Y361 HydrophobicContact CB-CE2 3.96Å; I296-Y361 HydrophobicContact CG1-CD2 3.48Å; I296-Y361 VanDerWaalsContact CG1-CD2 3.48Å; I296-Y361 HydrophobicContact CG1-CE2 3.84Å; I296-Y361 HydrophobicContact CG1-CG 4.41Å; I296-Y361 HydrophobicContact CG2-CE2 4.48Å; I296-V383 HydrophobicContact CD1-CG1 3.89Å; I296-V383 HydrophobicContact CD1-CG2 4.08Å
297L88.4Confident93.1Very high109 Ų10941.5 Ų41.557%0.57123%0.227SC*.  trans-89.9-26.6178.3-58.9178.5000112.6E295E295-L297 HydrophobicContact CG-CD2 3.92Å; E295-L297 HydrophobicContact CG-CG 4.38Å
298F84Confident93.3Very high150 Ų15041.2 Ų41.266%0.65821%0.213SC*.SBendtrans-122.1114.1-174-54.9-73.5000109.9I296I296-F298 WeakPolarHBondContact CG2-O 3.47Å
299P87.8Confident93.2Very high65 Ų6539 Ų3942%0.42220%0.197SC..THydrogen-bonded Turntrans-54.5154.6172.3-31.139000113.7C355 S356P299-C355 WeakPolarHBondContact CA-O 3.34Å; P299-S356 WeakPolarHBondContact CB-O 3.27Å
300G86.7Confident93Very high32 Ų3242.5 Ų42.533%0.3322%0.215SC..THydrogen-bonded Turntrans94.7-2.3173.900000115.1V200 C355V200-G300 WeakPolarHBondContact CG2-O 3.17Å; G300-C355 PolarHBondContact N-O 3.48Å
301C93.1Very high92.2Very high2 Ų243 Ų431%0.01424%0.237CC..  trans-72.3165.2164.669.10000111.2I296 C355 V383 L384 L385I296-C301 VanDerWaalsContact CG2-SG 3.55Å; C301-C355 PolarHBondContact O-N 3.29Å; C301-V383 HydrophobicContact CB-CG1 4.03Å; C301-L384 CarbonylContact C-O 3.5Å; C301-L384 VanDerWaalsContact CA-O 3.31Å; C301-L384 WeakPolarHBondContact CA-O 3.43Å; C301-L384 WeakPolarHBondContact CB-O 3.46Å; C301-L385 HydrophobicContact CB-CD2 3.98Å
302V96.4Very high91.5Very high0 Ų043.2 Ų43.20%024%0.244CC..EExtended strand (participates in β ladder)trans-118.2124.2177.7173.20000109.5L160 L163 L197 V200 T352 L353 L384L160-V302 HydrophobicContact CD2-CG1 3.88Å; L160-V302 HydrophobicContact CD2-CG2 3.9Å; L163-V302 HydrophobicContact CD1-CB 4.41Å; L163-V302 HydrophobicContact CD1-CG1 4.14Å; L163-V302 HydrophobicContact CD1-CG2 4.18Å; L197-V302 HydrophobicContact CD1-CG2 3.69Å; V200-V302 HydrophobicContact CG1-CB 4.26Å; V200-V302 HydrophobicContact CG1-CG2 4.06Å; V200-V302 HydrophobicContact CG2-CG2 4.37Å; V302-T352 HydrophobicContact CG1-CG2 4.18Å; V302-L353 CarbonylContact C-O 3.38Å; V302-L353 VanDerWaalsContact CA-O 3.29Å; V302-L353 WeakPolarHBondContact CA-O 3.43Å; V302-L384 HydrophobicContact CB-CB 4.19Å; V302-L384 HydrophobicContact CB-CD1 4.46Å; V302-L384 HydrophobicContact CG1-CD1 4.32Å; V302-L384 PolarHBondContact N-O 3.13Å; V302-L384 PolarHBondContact O-N 3.33Å
303L96.8Very high91Very high0 Ų043.9 Ų43.90%025%0.246CC..EExtended strand (participates in β ladder)trans-74.8129.1161.4-80.1165.8000108.5Y294 W305 T352 L353 C355 Y361 L363 V381 V383Y294-L303 HydrophobicContact CD2-CD2 4.39Å; Y294-L303 HydrophobicContact CG-CD2 4.3Å; L303-W305 HydrophobicContact CB-CE3 4.47Å; L303-W305 HydrophobicContact CB-CZ3 4.44Å; L303-T352 CarbonylContact O-C 3.51Å; L303-T352 WeakPolarHBondContact O-CA 3.24Å; L303-L353 PolarHBondContact N-O 2.89Å; L303-L353 PolarHBondContact O-N 2.86Å; L303-C355 VanDerWaalsContact CD1-SG 3.58Å; L303-C355 VanDerWaalsContact CG-SG 3.58Å; L303-Y361 HydrophobicContact CD1-CD1 3.64Å; L303-Y361 HydrophobicContact CD1-CE1 4.5Å; L303-Y361 HydrophobicContact CD1-CG 3.66Å; L303-L363 HydrophobicContact CD1-CD1 4.43Å; L303-L363 HydrophobicContact CD2-CD1 4.3Å; L303-V381 HydrophobicContact CD2-CG1 4.11Å; L303-V383 HydrophobicContact CD2-CG2 3.76Å
304R96.9Very high91Very high20 Ų2041 Ų418%0.07523%0.233CC..EExtended strand (participates in β ladder)trans-121132.2171-179.9170.871.2-170.51.9108.2L163 G351 T352 V381 E382 L384L163-R304 WeakPolarHBondContact O-CD 3.22Å; L163-R304 PolarHBondContact O-NH1 3.42Å; R304-G351 WeakPolarHBondContact CA-O 3.38Å; R304-T352 HydrophobicContact CB-CG2 3.88Å; R304-T352 HydrophobicContact CG-CG2 3.78Å; R304-V381 CarbonylContact O-C 3.52Å; R304-V381 WeakPolarHBondContact O-CA 3.47Å; R304-E382 IonicContact CZ-OE2 3.53Å; R304-E382 PolarHBondContact N-O 3.1Å; R304-E382 IonicContact NE-OE2 3.83Å; R304-E382 PolarHBondContact NE-OE2 2.89Å; R304-E382 VanDerWaalsContact NH2-CD 3.28Å; R304-E382 IonicContact NH2-OE1 2.8Å; R304-E382 PolarHBondContact NH2-OE1 3.27Å; R304-E382 IonicContact NH2-OE2 3.4Å; R304-E382 PolarHBondContact NH2-OE2 3Å; R304-E382 PolarHBondContact O-N 2.99Å; R304-L384 HydrophobicContact CB-CD1 3.98Å; R304-L384 HydrophobicContact CB-CG 4.22Å
305W96.7Very high91Very high22 Ų2238.3 Ų38.38%0.08322%0.222CC..EExtended strand (participates in β ladder)trans-134.1156.6176.363.989.2000111.3L303 F307 F316 I318 L337 D350 G351 L353 L363 T380 V381L303-W305 HydrophobicContact CB-CE3 4.47Å; L303-W305 HydrophobicContact CB-CZ3 4.44Å; W305-F307 AromaticContact CD1-CD1 3.97Å; W305-F316 AromaticContact CD1-CE1 3.8Å; W305-F316 AromaticContact CD1-CZ 3.61Å; W305-F316 HydrophobicContact CD2-CE1 4.18Å; W305-F316 AromaticContact CD2-CZ 3.95Å; W305-F316 HydrophobicContact CD2-CZ 3.95Å; W305-F316 AromaticContact CE2-CE1 3.56Å; W305-F316 AromaticContact CE2-CZ 3.82Å; W305-F316 HydrophobicContact CG-CE1 4.3Å; W305-F316 AromaticContact CG-CZ 3.81Å; W305-F316 HydrophobicContact CG-CZ 3.81Å; W305-F316 HydrophobicContact CZ2-CE1 4.01Å; W305-F316 AromaticContact NE1-CE1 3.29Å; W305-F316 VanDerWaalsContact NE1-CE1 3.29Å; W305-F316 AromaticContact NE1-CZ 3.6Å; W305-I318 HydrophobicContact CD2-CD1 4.26Å; W305-I318 HydrophobicContact CE3-CD1 3.78Å; W305-I318 HydrophobicContact CH2-CD1 3.49Å; W305-I318 VanDerWaalsContact CH2-CD1 3.49Å; W305-I318 HydrophobicContact CZ2-CD1 3.98Å; W305-I318 HydrophobicContact CZ3-CD1 3.38Å; W305-L337 HydrophobicContact CH2-CD2 4.2Å; W305-L337 HydrophobicContact CZ2-CD2 3.78Å; W305-D350 WeakPolarHBondContact O-CA 3.45Å; W305-G351 VanDerWaalsContact CE2-CA 3.46Å; W305-G351 PolarHBondContact N-O 3.15Å; W305-G351 PolarHBondContact O-N 3.45Å; W305-L353 HydrophobicContact CH2-CB 3.97Å; W305-L353 HydrophobicContact CZ3-CB 3.7Å; W305-L363 HydrophobicContact CB-CD2 4.16Å; W305-L363 HydrophobicContact CD2-CD2 4.48Å; W305-L363 HydrophobicContact CE3-CD2 4.29Å; W305-L363 HydrophobicContact CG-CD2 4.45Å; W305-T380 CarbonylContact C-O 3.5Å; W305-T380 VanDerWaalsContact CA-O 3.27Å; W305-T380 WeakPolarHBondContact CA-O 3.49Å; W305-V381 HydrophobicContact CB-CG2 3.97Å
306Q95.3Very high91.1Very high12 Ų1233.1 Ų33.16%0.05620%0.198CC..EExtended strand (participates in β ladder)trans-147.1144163.3-170.2168.4-35.300110.3Q276 Y278 P348 E349 D350 F379 T380Q276-Q306 VanDerWaalsContact NE2-CD 3.29Å; Y278-Q306 HydrophobicContact CE1-CB 4.39Å; Y278-Q306 HydrophobicContact CE1-CG 3.99Å; Y278-Q306 PolarHBondContact OH-NE2 2.86Å; Q306-P348 HydrophobicContact CG-CB 4.14Å; Q306-E349 CarbonylContact C-O 3.43Å; Q306-E349 WeakPolarHBondContact CA-O 3.33Å; Q306-E349 VanDerWaalsContact CG-O 3.29Å; Q306-E349 WeakPolarHBondContact CG-O 3.38Å; Q306-D350 HydrophobicContact CB-CB 4.16Å; Q306-D350 HydrophobicContact CG-CB 3.89Å; Q306-F379 CarbonylContact O-C 3.59Å; Q306-F379 WeakPolarHBondContact O-CA 3.29Å; Q306-F379 WeakPolarHBondContact O-CB 3.45Å; Q306-T380 PolarHBondContact N-O 3.32Å; Q306-T380 PolarHBondContact O-N 3.27Å
307F95.3Very high91.3Very high1 Ų132.8 Ų32.80%0.00420%0.196CC..EExtended strand (participates in β ladder)trans-149.5160.1175.865.1-90.4000113.6W305 V314 F316 Y342 P348 E349 F365 V377 N378 F379W305-F307 AromaticContact CD1-CD1 3.97Å; F307-V314 HydrophobicContact CD2-CG1 3.88Å; F307-V314 HydrophobicContact CE2-CG1 3.51Å; F307-F316 HydrophobicContact CD1-CD2 4.32Å; F307-F316 HydrophobicContact CD1-CE2 4.49Å; F307-F316 HydrophobicContact CD1-CG 4.45Å; F307-F316 HydrophobicContact CE1-CB 3.96Å; F307-F316 AromaticContact CE1-CD1 3.76Å; F307-F316 HydrophobicContact CE1-CD1 3.76Å; F307-F316 AromaticContact CE1-CD2 3.9Å; F307-F316 HydrophobicContact CE1-CD2 3.9Å; F307-F316 HydrophobicContact CE1-CE1 4.18Å; F307-F316 HydrophobicContact CE1-CE2 4.29Å; F307-F316 AromaticContact CE1-CG 3.59Å; F307-F316 HydrophobicContact CE1-CG 3.59Å; F307-F316 HydrophobicContact CE1-CZ 4.42Å; F307-F316 HydrophobicContact CE2-CB 4.42Å; F307-F316 HydrophobicContact CZ-CB 3.64Å; F307-F316 HydrophobicContact CZ-CD1 4.18Å; F307-F316 HydrophobicContact CZ-CD2 4.39Å; F307-F316 AromaticContact CZ-CG 3.82Å; F307-F316 HydrophobicContact CZ-CG 3.82Å; F307-Y342 HydrophobicContact CZ-CD2 4.04Å; F307-Y342 HydrophobicContact CZ-CG 4.08Å; F307-P348 WeakPolarHBondContact O-CA 3.35Å; F307-E349 HydrophobicContact CD1-CB 4.16Å; F307-E349 HydrophobicContact CD2-CB 4.29Å; F307-E349 HydrophobicContact CE1-CB 3.67Å; F307-E349 HydrophobicContact CE2-CB 3.81Å; F307-E349 HydrophobicContact CE2-CG 3.98Å; F307-E349 HydrophobicContact CG-CB 4.45Å; F307-E349 HydrophobicContact CZ-CB 3.47Å; F307-E349 VanDerWaalsContact CZ-CB 3.47Å; F307-E349 HydrophobicContact CZ-CG 3.89Å; F307-E349 PolarHBondContact N-O 3.42Å; F307-E349 PolarHBondContact O-N 3.14Å; F307-F365 HydrophobicContact CB-CE1 3.72Å; F307-F365 HydrophobicContact CB-CZ 4.02Å; F307-F365 AromaticContact CD1-CE1 3.69Å; F307-F365 HydrophobicContact CD1-CE1 3.69Å; F307-F365 HydrophobicContact CD1-CZ 4.27Å; F307-F365 AromaticContact CD2-CE1 3.95Å; F307-F365 HydrophobicContact CD2-CE1 3.95Å; F307-F365 HydrophobicContact CE1-CE1 4.24Å; F307-F365 HydrophobicContact CE2-CE1 4.48Å; F307-F365 HydrophobicContact CG-CD1 4.5Å; F307-F365 AromaticContact CG-CE1 3.52Å; F307-F365 HydrophobicContact CG-CE1 3.52Å; F307-F365 HydrophobicContact CG-CZ 4.22Å; F307-V377 HydrophobicContact CB-CG1 4.3Å; F307-N378 CarbonylContact C-O 3.45Å; F307-N378 WeakPolarHBondContact CA-O 3.42Å; F307-N378 WeakPolarHBondContact CB-O 3.41Å; F307-F379 HydrophobicContact CB-CB 3.62Å
308M94.1Very high91.7Very high44 Ų4427.6 Ų27.622%0.21717%0.169CC..EExtended strand (participates in β ladder)trans-143.5142.2172167.8146.854.900109.3Y278 S344 P348 V377 N378Y278-M308 HydrophobicContact CE2-CB 4.16Å; Y278-M308 HydrophobicContact CE2-CE 3.74Å; M308-S344 VanDerWaalsContact CA-O 3.31Å; M308-S344 WeakPolarHBondContact CA-O 3.45Å; M308-S344 WeakPolarHBondContact CG-O 3.5Å; M308-P348 HydrophobicContact CE-CG 3.84Å; M308-P348 HydrophobicContact SD-CG 4.11Å; M308-V377 WeakPolarHBondContact O-CA 3.48Å; M308-N378 PolarHBondContact N-O 2.93Å; M308-N378 PolarHBondContact O-N 3.37Å
309S92.1Very high92.3Very high1 Ų120.7 Ų20.71%0.00714%0.139CC..EExtended strand (participates in β ladder)trans-113.6146.917956.40000111G311 A312 S344 H345 K376S309-G311 PolarHBondContact O-N 2.6Å; S309-A312 PolarHBondContact OG-O 2.93Å; S309-S344 WeakPolarHBondContact CB-OG 3.33Å; S309-S344 PolarHBondContact N-O 2.79Å; S309-S344 VanDerWaalsContact N-O 3.14Å; S309-S344 PolarHBondContact N-OG 2.97Å; S309-S344 PolarHBondContact OG-OG 3.35Å; S309-H345 WeakPolarHBondContact O-CA 3.45Å; S309-H345 WeakPolarHBondContact O-CB 3.46Å; S309-K376 WeakPolarHBondContact CA-O 3.32Å
310D88.2Confident92.6Very high85 Ų8518.8 Ų18.846%0.45513%0.125SC..SBendtrans-81.4122.1175.9-68.22.7000110.2A312 K376D310-A312 VanDerWaalsContact C-N 3.26Å; D310-A312 PolarHBondContact O-N 2.78Å; D310-K376 HydrophobicContact CB-CB 4.22Å; D310-K376 PolarHBondContact N-O 3.4Å; D310-K376 WeakPolarHBondContact OD2-CD 3.4Å
311G77.8Confident92.8Very high72 Ų7217.5 Ų17.574%0.74211%0.11SC*.SBendtrans71.6-7.5160.700000118.5S309S309-G311 PolarHBondContact O-N 2.6Å
312A79.8Confident92.2Very high33 Ų3323.5 Ų23.527%0.27315%0.147SC..SBendtrans-156.2169.6179.700000112S309 D310S309-A312 PolarHBondContact OG-O 2.93Å; D310-A312 VanDerWaalsContact C-N 3.26Å; D310-A312 PolarHBondContact O-N 2.78Å
313D86.1Confident91.2Very high39 Ų3931.2 Ų31.221%0.20918%0.18CC..  trans-62152.8173.661.2-15.6000112.1R341 Y342 Y369 K375D313-R341 WeakPolarHBondContact OD2-CD 3.42Å; D313-R341 IonicContact OD2-NH1 2.76Å; D313-Y342 CarbonylContact C-O 3.54Å; D313-Y342 WeakPolarHBondContact CA-O 3.34Å; D313-Y342 WeakPolarHBondContact CB-O 3.38Å; D313-Y369 PolarHBondContact O-OH 3.38Å; D313-Y369 WeakPolarHBondContact OD1-CE2 3.17Å; D313-Y369 PolarHBondContact OD1-OH 3Å; D313-Y369 WeakPolarHBondContact OD2-CE2 3.31Å; D313-K375 WeakPolarHBondContact O-CD 3.29Å; D313-K375 WeakPolarHBondContact O-CE 3.15Å; D313-K375 PolarHBondContact O-NZ 3.04Å; D313-K375 IonicContact OD1-NZ 2.76Å
314V93.4Very high90.1Very high0 Ų036.2 Ų36.20%021%0.205CC..EExtended strand (participates in β ladder)trans-128.8140.9169.269.60000109.2F307 Y342 S344 F365 Y369 V377F307-V314 HydrophobicContact CD2-CG1 3.88Å; F307-V314 HydrophobicContact CE2-CG1 3.51Å; V314-Y342 PolarHBondContact N-O 2.85Å; V314-Y342 PolarHBondContact O-N 2.92Å; V314-S344 WeakPolarHBondContact CG1-OG 3.37Å; V314-F365 HydrophobicContact CG2-CB 4.39Å; V314-Y369 WeakPolarHBondContact CA-OH 3.26Å; V314-Y369 PolarHBondContact N-OH 3.01Å; V314-V377 HydrophobicContact CB-CG2 4.49Å; V314-V377 HydrophobicContact CG2-CG2 3.89Å
315G95Very high89Confident0 Ų037.9 Ų37.90%023%0.228CC..EExtended strand (participates in β ladder)trans-75.3139171.800000109.7Q340 F365 D366 Y369G315-Q340 CarbonylContact C-O 3.2Å; G315-Q340 VanDerWaalsContact CA-O 3.24Å; G315-Q340 WeakPolarHBondContact CA-O 3.28Å; G315-F365 CarbonylContact O-C 3.46Å; G315-F365 WeakPolarHBondContact O-CA 3.3Å; G315-D366 WeakPolarHBondContact CA-O 3.32Å; G315-D366 PolarHBondContact N-O 2.98Å; G315-D366 PolarHBondContact O-N 3.48Å; G315-Y369 PolarHBondContact N-OH 3.49Å
316F97Very high88.1Confident1 Ų145.5 Ų45.50%0.00427%0.265CS..EExtended strand (participates in β ladder)trans-142.7135.6174.4175.7-97.3000111.1W305 F307 I318 L337 N339 Q340 Y342 L363 R364 F365W305-F316 AromaticContact CD1-CE1 3.8Å; W305-F316 AromaticContact CD1-CZ 3.61Å; W305-F316 HydrophobicContact CD2-CE1 4.18Å; W305-F316 AromaticContact CD2-CZ 3.95Å; W305-F316 HydrophobicContact CD2-CZ 3.95Å; W305-F316 AromaticContact CE2-CE1 3.56Å; W305-F316 AromaticContact CE2-CZ 3.82Å; W305-F316 HydrophobicContact CG-CE1 4.3Å; W305-F316 AromaticContact CG-CZ 3.81Å; W305-F316 HydrophobicContact CG-CZ 3.81Å; W305-F316 HydrophobicContact CZ2-CE1 4.01Å; W305-F316 AromaticContact NE1-CE1 3.29Å; W305-F316 VanDerWaalsContact NE1-CE1 3.29Å; W305-F316 AromaticContact NE1-CZ 3.6Å; F307-F316 HydrophobicContact CD1-CD2 4.32Å; F307-F316 HydrophobicContact CD1-CE2 4.49Å; F307-F316 HydrophobicContact CD1-CG 4.45Å; F307-F316 HydrophobicContact CE1-CB 3.96Å; F307-F316 AromaticContact CE1-CD1 3.76Å; F307-F316 HydrophobicContact CE1-CD1 3.76Å; F307-F316 AromaticContact CE1-CD2 3.9Å; F307-F316 HydrophobicContact CE1-CD2 3.9Å; F307-F316 HydrophobicContact CE1-CE1 4.18Å; F307-F316 HydrophobicContact CE1-CE2 4.29Å; F307-F316 AromaticContact CE1-CG 3.59Å; F307-F316 HydrophobicContact CE1-CG 3.59Å; F307-F316 HydrophobicContact CE1-CZ 4.42Å; F307-F316 HydrophobicContact CE2-CB 4.42Å; F307-F316 HydrophobicContact CZ-CB 3.64Å; F307-F316 HydrophobicContact CZ-CD1 4.18Å; F307-F316 HydrophobicContact CZ-CD2 4.39Å; F307-F316 AromaticContact CZ-CG 3.82Å; F307-F316 HydrophobicContact CZ-CG 3.82Å; F316-I318 HydrophobicContact CE1-CD1 4.3Å; F316-I318 HydrophobicContact CE1-CG1 4.09Å; F316-I318 HydrophobicContact CZ-CD1 4.18Å; F316-I318 HydrophobicContact CZ-CG1 3.95Å; F316-L337 HydrophobicContact CD1-CD2 4.21Å; F316-L337 HydrophobicContact CE1-CD2 3.82Å; F316-N339 VanDerWaalsContact C-OD1 3.26Å; F316-N339 PolarHBondContact N-OD1 2.82Å; F316-N339 VanDerWaalsContact N-OD1 3.14Å; F316-N339 WeakPolarHBondContact O-CA 3.3Å; F316-N339 PolarHBondContact O-OD1 3Å; F316-Q340 PolarHBondContact N-O 2.91Å; F316-Q340 PolarHBondContact O-N 2.97Å; F316-Y342 HydrophobicContact CB-CD2 3.8Å; F316-Y342 HydrophobicContact CB-CE2 3.76Å; F316-Y342 HydrophobicContact CD1-CE2 4.19Å; F316-Y342 HydrophobicContact CG-CE2 4.5Å; F316-Y342 WeakPolarHBondContact O-CE2 3.12Å; F316-L363 HydrophobicContact CE2-CB 4.14Å; F316-L363 HydrophobicContact CE2-CD2 4.43Å; F316-L363 HydrophobicContact CZ-CB 4.46Å; F316-L363 HydrophobicContact CZ-CD2 4.11Å; F316-R364 WeakPolarHBondContact CA-O 3.48Å; F316-F365 AromaticContact CD2-CD1 3.73Å; F316-F365 HydrophobicContact CD2-CD1 3.73Å; F316-F365 AromaticContact CD2-CE1 3.44Å; F316-F365 HydrophobicContact CD2-CE1 3.44Å; F316-F365 VanDerWaalsContact CD2-CE1 3.44Å; F316-F365 HydrophobicContact CD2-CG 4.43Å; F316-F365 AromaticContact CD2-CZ 3.96Å; F316-F365 HydrophobicContact CD2-CZ 3.96Å; F316-F365 AromaticContact CE2-CE1 3.9Å; F316-F365 HydrophobicContact CE2-CE1 3.9Å; F316-F365 AromaticContact CE2-CZ 3.95Å; F316-F365 HydrophobicContact CE2-CZ 3.95Å; F316-F365 HydrophobicContact CG-CE1 4.4Å
317G96.9Very high87.4Confident0 Ų051.4 Ų51.40%029%0.287CS..EExtended strand (participates in β ladder)trans-154.6164.3174.900000111.8L337 R364G317-L337 WeakPolarHBondContact CA-O 3.31Å; G317-R364 PolarHBondContact N-O 3.28Å; G317-R364 VanDerWaalsContact N-O 3.16Å; G317-R364 PolarHBondContact O-N 3.43Å
318I97.1Very high86.8Confident0 Ų054.4 Ų54.40%030%0.301CS..EExtended strand (participates in β ladder)trans-123.6131.4178.8-53.4179000108.7W305 F316 V336 L337 L353 Y361 V362 L363W305-I318 HydrophobicContact CD2-CD1 4.26Å; W305-I318 HydrophobicContact CE3-CD1 3.78Å; W305-I318 HydrophobicContact CH2-CD1 3.49Å; W305-I318 VanDerWaalsContact CH2-CD1 3.49Å; W305-I318 HydrophobicContact CZ2-CD1 3.98Å; W305-I318 HydrophobicContact CZ3-CD1 3.38Å; F316-I318 HydrophobicContact CE1-CD1 4.3Å; F316-I318 HydrophobicContact CE1-CG1 4.09Å; F316-I318 HydrophobicContact CZ-CD1 4.18Å; F316-I318 HydrophobicContact CZ-CG1 3.95Å; I318-V336 HydrophobicContact CG2-CB 4.32Å; I318-V336 WeakPolarHBondContact O-CA 3.44Å; I318-V336 WeakPolarHBondContact O-CB 3.43Å; I318-V336 PolarHBondContact O-N 2.99Å; I318-L337 HydrophobicContact CB-CB 3.77Å; I318-L337 HydrophobicContact CD1-CB 4.29Å; I318-L337 HydrophobicContact CD1-CD2 4.08Å; I318-L337 HydrophobicContact CG1-CB 3.96Å; I318-L337 HydrophobicContact CG1-CD2 4.08Å; I318-L337 PolarHBondContact N-O 3.34Å; I318-L337 PolarHBondContact O-N 2.86Å; I318-L353 HydrophobicContact CD1-CD2 4.48Å; I318-L353 HydrophobicContact CG2-CD2 4.45Å; I318-Y361 HydrophobicContact CG2-CD1 4.15Å; I318-V362 WeakPolarHBondContact CA-O 3.21Å; I318-L363 HydrophobicContact CD1-CD2 4.14Å; I318-L363 HydrophobicContact CD1-CG 4.29Å; I318-L363 HydrophobicContact CG1-CD2 4.39Å; I318-L363 HydrophobicContact CG1-CG 4.1Å; I318-L363 HydrophobicContact CG2-CG 4.45Å
319F95.8Very high86.3Confident5 Ų561.3 Ų61.32%0.02232%0.324CS..EExtended strand (participates in β ladder)trans-126.1159.9-178.2-54.4-92.6000110.4A330 M333 T334 E335 N339 Y361 V362 R364F319-A330 HydrophobicContact CE1-CB 3.86Å; F319-A330 HydrophobicContact CZ-CB 3.92Å; F319-M333 HydrophobicContact CB-CB 3.73Å; F319-M333 HydrophobicContact CB-CE 3.79Å; F319-M333 HydrophobicContact CB-CG 4.44Å; F319-M333 HydrophobicContact CB-SD 3.91Å; F319-M333 HydrophobicContact CD1-CB 4.32Å; F319-M333 HydrophobicContact CD1-CE 4.36Å; F319-M333 HydrophobicContact CD2-CE 4.1Å; F319-M333 HydrophobicContact CG-CB 4.35Å; F319-M333 HydrophobicContact CG-CE 3.82Å; F319-T334 CarbonylContact C-O 3.59Å; F319-T334 VanDerWaalsContact CA-O 3.26Å; F319-T334 WeakPolarHBondContact CA-O 3.29Å; F319-E335 HydrophobicContact CD1-CB 4.39Å; F319-E335 HydrophobicContact CD1-CG 4.48Å; F319-E335 HydrophobicContact CE1-CB 4.45Å; F319-E335 HydrophobicContact CE1-CG 4.23Å; F319-N339 HydrophobicContact CZ-CB 4.29Å; F319-Y361 CarbonylContact O-C 3.37Å; F319-Y361 WeakPolarHBondContact O-CA 3.46Å; F319-V362 HydrophobicContact CB-CB 4.36Å; F319-V362 PolarHBondContact N-O 3.33Å; F319-V362 PolarHBondContact O-N 2.72Å; F319-R364 HydrophobicContact CD2-CB 4.25Å; F319-R364 HydrophobicContact CE2-CB 4.03Å
320L94.3Very high85.8Confident25 Ų2562.7 Ų62.713%0.13134%0.336CS..EExtended strand (participates in β ladder)trans-121.5128.9176.1-178.466.2000109.6T334 V336 D357 I360 Y361L320-T334 PolarHBondContact N-O 2.68Å; L320-T334 PolarHBondContact O-N 2.84Å; L320-V336 HydrophobicContact CB-CG2 3.59Å; L320-D357 HydrophobicContact CD2-CB 4.15Å; L320-I360 WeakPolarHBondContact CA-O 3.48Å; L320-Y361 HydrophobicContact CD1-CD2 3.8Å; L320-Y361 HydrophobicContact CD1-CE1 4.46Å; L320-Y361 HydrophobicContact CD1-CE2 3.65Å; L320-Y361 HydrophobicContact CD1-CG 4.26Å
321K91.3Very high85.6Confident5 Ų562.6 Ų62.62%0.02236%0.355CS..EExtended strand (participates in β ladder)trans-123.1154170.370.8-179.6-173.6-174.70111.7E293 K323 M333 I360 V362E293-K321 IonicContact OE1-NZ 2.7Å; E293-K321 PolarHBondContact OE1-NZ 2.68Å; E293-K321 VanDerWaalsContact OE2-CE 3.29Å; E293-K321 WeakPolarHBondContact OE2-CE 3.37Å; E293-K321 IonicContact OE2-NZ 2.66Å; E293-K321 PolarHBondContact OE2-NZ 3.26Å; K321-K323 WeakPolarHBondContact CE-O 3.13Å; K321-M333 HydrophobicContact CB-CG 4.2Å; K321-M333 HydrophobicContact CB-SD 4.44Å; K321-M333 HydrophobicContact CD-SD 4.48Å; K321-I360 HydrophobicContact CG-CB 3.82Å; K321-I360 HydrophobicContact CG-CD1 4.38Å; K321-I360 HydrophobicContact CG-CG2 4.16Å; K321-I360 PolarHBondContact N-O 3.45Å; K321-I360 PolarHBondContact O-N 2.96Å; K321-V362 HydrophobicContact CD-CG2 4.14Å; K321-V362 HydrophobicContact CG-CG2 4.22Å
322T79.5Confident86.1Confident128 Ų12864.7 Ų64.779%0.78535%0.345SS*.SBendtrans-86-17.3-170.156.60000114.6
323K76.9Confident86.7Confident162 Ų16263.9 Ų63.970%0.70434%0.336SS*.SBendtrans-145.3145.7-177.5-66.3-173.7-179.81800112.4K321 I360K321-K323 WeakPolarHBondContact CE-O 3.13Å; K323-I360 WeakPolarHBondContact O-CD1 3.33Å
324M72.6Confident87Confident105 Ų10566.5 Ų66.552%0.51735%0.354SS..SBendtrans-64.8138.8167.7-85.9-75.7177.900107.1E295 I360E295-M324 HydrophobicContact CB-CE 3.84Å; M324-I360 HydrophobicContact CB-CD1 3.92Å; M324-I360 HydrophobicContact CE-CD1 4.36Å; M324-I360 HydrophobicContact CE-CG1 4.45Å; M324-I360 HydrophobicContact CG-CD1 3.48Å; M324-I360 VanDerWaalsContact CG-CD1 3.48Å; M324-I360 HydrophobicContact CG-CG1 4.39Å; M324-I360 HydrophobicContact SD-CD1 4.05Å
325G74.8Confident87Confident55 Ų5571.7 Ų71.757%0.56738%0.378SS*.  trans165.3-163.9-175.800000112.5
326E77.2Confident87Confident183 Ų18374 Ų7486%0.85539%0.392SS*.SBendtrans-54.3155179.9-66.5-171.2174.700112.5Q328E326-Q328 PolarHBondContact O-N 3.28Å; E326-Q328 VanDerWaalsContact O-N 3.09Å
327R80.9Confident86.9Confident136 Ų13675.9 Ų75.951%0.51340%0.402SS..  trans-62.3112.7179.9-174.6-178.2-171.9179.27.2110.2S289S289-R327 PolarHBondContact O-NH2 2.93Å; S289-R327 PolarHBondContact OG-NH2 2.99Å
328Q83.1Confident86.7Confident63 Ų6378.5 Ų78.529%0.29442%0.419SS..  trans-83.2148.9175.4-69.3-176.1-31.700111.8E326 E332 M333E326-Q328 PolarHBondContact O-N 3.28Å; E326-Q328 VanDerWaalsContact O-N 3.09Å; Q328-E332 HydrophobicContact CB-CB 4.37Å; Q328-M333 HydrophobicContact CB-CG 3.85Å; Q328-M333 HydrophobicContact CB-SD 4.14Å
329R82.9Confident86.5Confident189 Ų18981.4 Ų81.471%0.71344%0.435SS*.  trans-73.5154.3171.6-63.1178.6177.1-174.71.4109.4G331 E332R329-G331 VanDerWaalsContact C-N 3.27Å; R329-G331 PolarHBondContact O-N 2.92Å; R329-E332 HydrophobicContact CB-CG 4.3Å; R329-E332 PolarHBondContact N-OE2 2.65Å; R329-E332 WeakPolarHBondContact O-CB 3.39Å; R329-E332 PolarHBondContact O-N 2.88Å
330A81.9Confident86.4Confident31 Ų3186.2 Ų86.226%0.25646%0.457SS..G310 helixtrans-52.4-43.617900000113F319 E332 M333F319-A330 HydrophobicContact CE1-CB 3.86Å; F319-A330 HydrophobicContact CZ-CB 3.92Å; A330-E332 PolarHBondContact O-N 3.28Å; A330-E332 VanDerWaalsContact O-N 3.15Å; A330-M333 PolarHBondContact O-N 2.82Å; A330-M333 VanDerWaalsContact O-N 3.13Å
331G83.9Confident86.4Confident82 Ų8292.6 Ų92.685%0.84548%0.479SS*.G310 helixtrans-69.2-6.7-179.400000115.4R329R329-G331 VanDerWaalsContact C-N 3.27Å; R329-G331 PolarHBondContact O-N 2.92Å
332E87.1Confident86.4Confident116 Ų11694.3 Ų94.354%0.54249%0.486SS..G310 helixtrans-98.1-9.2176.1-63.8162.3-177.400112.1Q328 R329 A330Q328-E332 HydrophobicContact CB-CB 4.37Å; R329-E332 HydrophobicContact CB-CG 4.3Å; R329-E332 PolarHBondContact N-OE2 2.65Å; R329-E332 WeakPolarHBondContact O-CB 3.39Å; R329-E332 PolarHBondContact O-N 2.88Å; A330-E332 PolarHBondContact O-N 3.28Å; A330-E332 VanDerWaalsContact O-N 3.15Å
333M92.3Very high86.9Confident16 Ų1693.1 Ų93.18%0.07948%0.475CS..SBendtrans-106.5155-178.7-59.9-176-73.600110.5F319 K321 Q328 A330 E335 V362F319-M333 HydrophobicContact CB-CB 3.73Å; F319-M333 HydrophobicContact CB-CE 3.79Å; F319-M333 HydrophobicContact CB-CG 4.44Å; F319-M333 HydrophobicContact CB-SD 3.91Å; F319-M333 HydrophobicContact CD1-CB 4.32Å; F319-M333 HydrophobicContact CD1-CE 4.36Å; F319-M333 HydrophobicContact CD2-CE 4.1Å; F319-M333 HydrophobicContact CG-CB 4.35Å; F319-M333 HydrophobicContact CG-CE 3.82Å; K321-M333 HydrophobicContact CB-CG 4.2Å; K321-M333 HydrophobicContact CB-SD 4.44Å; K321-M333 HydrophobicContact CD-SD 4.48Å; Q328-M333 HydrophobicContact CB-CG 3.85Å; Q328-M333 HydrophobicContact CB-SD 4.14Å; A330-M333 PolarHBondContact O-N 2.82Å; A330-M333 VanDerWaalsContact O-N 3.13Å; M333-E335 PolarHBondContact O-N 2.86Å; M333-V362 HydrophobicContact CE-CG1 4.45Å; M333-V362 HydrophobicContact SD-CB 4.14Å; M333-V362 HydrophobicContact SD-CG1 4.36Å; M333-V362 HydrophobicContact SD-CG2 3.86Å
334T92.6Very high87.4Confident94 Ų9485.4 Ų85.458%0.57744%0.441SS*.EExtended strand (participates in β ladder)trans-74.6125.2172.6-59.10000108.7F319 L320 V336F319-T334 CarbonylContact C-O 3.59Å; F319-T334 VanDerWaalsContact CA-O 3.26Å; F319-T334 WeakPolarHBondContact CA-O 3.29Å; L320-T334 PolarHBondContact N-O 2.68Å; L320-T334 PolarHBondContact O-N 2.84Å; T334-V336 PolarHBondContact O-N 2.94Å
335E94.1Very high87.9Confident109 Ų10983.5 Ų83.551%0.50943%0.431SS..EExtended strand (participates in β ladder)trans-73.5127.1176.7-170.3170.693.100110.3F319 M333 P338F319-E335 HydrophobicContact CD1-CB 4.39Å; F319-E335 HydrophobicContact CD1-CG 4.48Å; F319-E335 HydrophobicContact CE1-CB 4.45Å; F319-E335 HydrophobicContact CE1-CG 4.23Å; M333-E335 PolarHBondContact O-N 2.86Å; E335-P338 VanDerWaalsContact CD-CA 3.4Å; E335-P338 HydrophobicContact CG-CG 4.49Å; E335-P338 WeakPolarHBondContact OE1-CA 3.21Å; E335-P338 WeakPolarHBondContact OE1-CB 3.02Å; E335-P338 WeakPolarHBondContact OE1-CG 3.16Å
336V95Very high88.2Confident50 Ų5086.4 Ų86.430%0.30343%0.433SS..EExtended strand (participates in β ladder)trans-109.7-43.8178.7-175.90000110.6I318 L320 T334 L353 Y361I318-V336 HydrophobicContact CG2-CB 4.32Å; I318-V336 WeakPolarHBondContact O-CA 3.44Å; I318-V336 WeakPolarHBondContact O-CB 3.43Å; I318-V336 PolarHBondContact O-N 2.99Å; L320-V336 HydrophobicContact CB-CG2 3.59Å; T334-V336 PolarHBondContact O-N 2.94Å; V336-L353 HydrophobicContact CG1-CD1 4.16Å; V336-L353 HydrophobicContact CG1-CD2 3.44Å; V336-L353 VanDerWaalsContact CG1-CD2 3.44Å; V336-L353 HydrophobicContact CG1-CG 4.4Å; V336-Y361 HydrophobicContact CG1-CE1 4.25Å; V336-Y361 HydrophobicContact CG2-CE1 4.42Å
337L94.8Very high88.7Confident40 Ų4079.9 Ų79.921%0.20941%0.406CS..EExtended strand (participates in β ladder)trans-126.6118.8167.7-17870.8000107.9W305 F316 G317 I318W305-L337 HydrophobicContact CH2-CD2 4.2Å; W305-L337 HydrophobicContact CZ2-CD2 3.78Å; F316-L337 HydrophobicContact CD1-CD2 4.21Å; F316-L337 HydrophobicContact CE1-CD2 3.82Å; G317-L337 WeakPolarHBondContact CA-O 3.31Å; I318-L337 HydrophobicContact CB-CB 3.77Å; I318-L337 HydrophobicContact CD1-CB 4.29Å; I318-L337 HydrophobicContact CD1-CD2 4.08Å; I318-L337 HydrophobicContact CG1-CB 3.96Å; I318-L337 HydrophobicContact CG1-CD2 4.08Å; I318-L337 PolarHBondContact N-O 3.34Å; I318-L337 PolarHBondContact O-N 2.86Å
338P93.5Very high89.2Confident54 Ų5473.8 Ų73.835%0.35138%0.384SS..EExtended strand (participates in β ladder)trans-55.9141.6-179-23.631.1000112.8E335 Q340E335-P338 VanDerWaalsContact CD-CA 3.4Å; E335-P338 HydrophobicContact CG-CG 4.49Å; E335-P338 WeakPolarHBondContact OE1-CA 3.21Å; E335-P338 WeakPolarHBondContact OE1-CB 3.02Å; E335-P338 WeakPolarHBondContact OE1-CG 3.16Å; P338-Q340 PolarHBondContact O-N 2.67Å; P338-Q340 VanDerWaalsContact O-N 3.17Å
339N93Very high89.7Confident62 Ų6273.6 Ų73.633%0.33238%0.383SS..EExtended strand (participates in β ladder)trans-67.7114.1174.7-174.246.5000109.9F316 F319 D366F316-N339 VanDerWaalsContact C-OD1 3.26Å; F316-N339 PolarHBondContact N-OD1 2.82Å; F316-N339 VanDerWaalsContact N-OD1 3.14Å; F316-N339 WeakPolarHBondContact O-CA 3.3Å; F316-N339 PolarHBondContact O-OD1 3Å; F319-N339 HydrophobicContact CZ-CB 4.29Å; N339-D366 PolarHBondContact ND2-OD2 2.78Å; N339-D366 VanDerWaalsContact ND2-OD2 3.14Å
340Q93.9Very high90.2Very high105 Ų10567 Ų6749%0.49136%0.361SS..EExtended strand (participates in β ladder)trans-122.6158.9177.9-64.2-176.810.600110.6G315 F316 P338 Y342G315-Q340 CarbonylContact C-O 3.2Å; G315-Q340 VanDerWaalsContact CA-O 3.24Å; G315-Q340 WeakPolarHBondContact CA-O 3.28Å; F316-Q340 PolarHBondContact N-O 2.91Å; F316-Q340 PolarHBondContact O-N 2.97Å; P338-Q340 PolarHBondContact O-N 2.67Å; P338-Q340 VanDerWaalsContact O-N 3.17Å; Q340-Y342 HydrophobicContact CB-CD2 4.44Å; Q340-Y342 HydrophobicContact CB-CE2 3.71Å; Q340-Y342 WeakPolarHBondContact O-CD2 3.12Å; Q340-Y342 VanDerWaalsContact O-CE2 3.3Å; Q340-Y342 WeakPolarHBondContact O-CE2 3.34Å
341R92.6Very high90.8Very high159 Ų15966.2 Ų66.260%0.636%0.356SS*.EExtended strand (participates in β ladder)trans-90126.7174-61.3-168.9-171.6-179.13.6109.6D313 Y369D313-R341 WeakPolarHBondContact OD2-CD 3.42Å; D313-R341 IonicContact OD2-NH1 2.76Å; R341-Y369 HydrophobicContact CG-CE1 4.19Å; R341-Y369 VanDerWaalsContact NH2-CB 3.34Å
342Y91.2Very high91.4Very high42 Ų4264 Ų6417%0.16533%0.326CS..EExtended strand (participates in β ladder)trans-116.1133.9-179.3-62.6-92.7000111F307 D313 V314 F316 Q340 S344 E349F307-Y342 HydrophobicContact CZ-CD2 4.04Å; F307-Y342 HydrophobicContact CZ-CG 4.08Å; D313-Y342 CarbonylContact C-O 3.54Å; D313-Y342 WeakPolarHBondContact CA-O 3.34Å; D313-Y342 WeakPolarHBondContact CB-O 3.38Å; V314-Y342 PolarHBondContact N-O 2.85Å; V314-Y342 PolarHBondContact O-N 2.92Å; F316-Y342 HydrophobicContact CB-CD2 3.8Å; F316-Y342 HydrophobicContact CB-CE2 3.76Å; F316-Y342 HydrophobicContact CD1-CE2 4.19Å; F316-Y342 HydrophobicContact CG-CE2 4.5Å; F316-Y342 WeakPolarHBondContact O-CE2 3.12Å; Q340-Y342 HydrophobicContact CB-CD2 4.44Å; Q340-Y342 HydrophobicContact CB-CE2 3.71Å; Q340-Y342 WeakPolarHBondContact O-CD2 3.12Å; Q340-Y342 VanDerWaalsContact O-CE2 3.3Å; Q340-Y342 WeakPolarHBondContact O-CE2 3.34Å; Y342-S344 PolarHBondContact O-N 2.95Å; Y342-E349 HydrophobicContact CD1-CG 3.85Å; Y342-E349 HydrophobicContact CG-CG 4.06Å
343N89.7Confident91.8Very high102 Ų10260.2 Ų60.255%0.54531%0.31SS..  trans-81.855.9173.9-76-41.6000111H345N343-H345 PolarHBondContact O-N 3.15Å
344S88.3Confident92Very high0 Ų062 Ų620%032%0.321CS..THydrogen-bonded Turntrans-75.213.8-172.659.70000114.9M308 S309 V314 Y342 V347M308-S344 VanDerWaalsContact CA-O 3.31Å; M308-S344 WeakPolarHBondContact CA-O 3.45Å; M308-S344 WeakPolarHBondContact CG-O 3.5Å; S309-S344 WeakPolarHBondContact CB-OG 3.33Å; S309-S344 PolarHBondContact N-O 2.79Å; S309-S344 VanDerWaalsContact N-O 3.14Å; S309-S344 PolarHBondContact N-OG 2.97Å; S309-S344 PolarHBondContact OG-OG 3.35Å; V314-S344 WeakPolarHBondContact CG1-OG 3.37Å; Y342-S344 PolarHBondContact O-N 2.95Å; S344-V347 WeakPolarHBondContact CA-O 3.47Å
345H82.4Confident92.1Very high66 Ų6657.5 Ų57.531%0.30629%0.294SS..THydrogen-bonded Turntrans-92.8-17.5179.465.5-84.8000113.6S309 N343S309-H345 WeakPolarHBondContact O-CA 3.45Å; S309-H345 WeakPolarHBondContact O-CB 3.46Å; N343-H345 PolarHBondContact O-N 3.15Å
346L82.3Confident91.9Very high116 Ų11656 Ų5661%0.60730%0.296SS*.THydrogen-bonded Turntrans-96-50.3176.7-60177.8000110.9Q273Q273-L346 PolarHBondContact NE2-O 2.74Å
347V87Confident91.7Very high46 Ų4658.2 Ų58.228%0.27931%0.306SS..SBendtrans-130.4134.3179.9179.10000107.6D272 Q273 S344D272-V347 HydrophobicContact CB-CG2 4.41Å; Q273-V347 HydrophobicContact CB-CG1 4.37Å; S344-V347 WeakPolarHBondContact CA-O 3.47Å
348P90.7Very high91.6Very high8 Ų860.1 Ų60.15%0.05232%0.32CS..  trans-56.9142.9173.4-27.134000112.3Y278 Q306 F307 M308Y278-P348 VanDerWaalsContact OH-CB 3.28Å; Y278-P348 WeakPolarHBondContact OH-CB 3.33Å; Y278-P348 VanDerWaalsContact OH-CG 3.3Å; Y278-P348 WeakPolarHBondContact OH-CG 3.31Å; Q306-P348 HydrophobicContact CG-CB 4.14Å; F307-P348 WeakPolarHBondContact O-CA 3.35Å; M308-P348 HydrophobicContact CE-CG 3.84Å; M308-P348 HydrophobicContact SD-CG 4.11Å
349E93.8Very high91.6Very high59 Ų5958.2 Ų58.228%0.27631%0.311SS..EExtended strand (participates in β ladder)trans-93.4127.6170.6-65.8-67.7171.300109Q306 F307 Y342Q306-E349 CarbonylContact C-O 3.43Å; Q306-E349 WeakPolarHBondContact CA-O 3.33Å; Q306-E349 VanDerWaalsContact CG-O 3.29Å; Q306-E349 WeakPolarHBondContact CG-O 3.38Å; F307-E349 HydrophobicContact CD1-CB 4.16Å; F307-E349 HydrophobicContact CD2-CB 4.29Å; F307-E349 HydrophobicContact CE1-CB 3.67Å; F307-E349 HydrophobicContact CE2-CB 3.81Å; F307-E349 HydrophobicContact CE2-CG 3.98Å; F307-E349 HydrophobicContact CG-CB 4.45Å; F307-E349 HydrophobicContact CZ-CB 3.47Å; F307-E349 VanDerWaalsContact CZ-CB 3.47Å; F307-E349 HydrophobicContact CZ-CG 3.89Å; F307-E349 PolarHBondContact N-O 3.42Å; F307-E349 PolarHBondContact O-N 3.14Å; Y342-E349 HydrophobicContact CD1-CG 3.85Å; Y342-E349 HydrophobicContact CG-CG 4.06Å
350D94.2Very high91.6Very high50 Ų5055.4 Ų55.427%0.26730%0.296SS..EExtended strand (participates in β ladder)trans-125.8150.7175.568.6-102.6000110.4K109 W164 W305 Q306K109-D350 IonicContact NZ-OD1 2.78Å; K109-D350 PolarHBondContact NZ-OD1 3.24Å; K109-D350 IonicContact NZ-OD2 2.92Å; W164-D350 VanDerWaalsContact CD1-OD2 3.23Å; W164-D350 PolarHBondContact NE1-OD1 3.38Å; W305-D350 WeakPolarHBondContact O-CA 3.45Å; Q306-D350 HydrophobicContact CB-CB 4.16Å; Q306-D350 HydrophobicContact CG-CB 3.89Å
351G94.9Very high91.7Very high14 Ų1450.6 Ų50.614%0.14427%0.273CS..EExtended strand (participates in β ladder)trans-163165-179.800000112.6R304 W305R304-G351 WeakPolarHBondContact CA-O 3.38Å; W305-G351 VanDerWaalsContact CE2-CA 3.46Å; W305-G351 PolarHBondContact N-O 3.15Å; W305-G351 PolarHBondContact O-N 3.45Å
352T96.3Very high91.9Very high35 Ų3543 Ų4322%0.21525%0.245CC..EExtended strand (participates in β ladder)trans-143150.8177.546.80000110.1L160 V302 L303 R304L160-T352 WeakPolarHBondContact CB-OG1 3.36Å; V302-T352 HydrophobicContact CG1-CG2 4.18Å; L303-T352 CarbonylContact O-C 3.51Å; L303-T352 WeakPolarHBondContact O-CA 3.24Å; R304-T352 HydrophobicContact CB-CG2 3.88Å; R304-T352 HydrophobicContact CG-CG2 3.78Å
353L96Very high92.2Very high37 Ų3741 Ų4119%0.19424%0.237CC..EExtended strand (participates in β ladder)trans-146.8131.3-179.9178.782.6000109.3V302 L303 W305 I318 V336 Y361V302-L353 CarbonylContact C-O 3.38Å; V302-L353 VanDerWaalsContact CA-O 3.29Å; V302-L353 WeakPolarHBondContact CA-O 3.43Å; L303-L353 PolarHBondContact N-O 2.89Å; L303-L353 PolarHBondContact O-N 2.86Å; W305-L353 HydrophobicContact CH2-CB 3.97Å; W305-L353 HydrophobicContact CZ3-CB 3.7Å; I318-L353 HydrophobicContact CD1-CD2 4.48Å; I318-L353 HydrophobicContact CG2-CD2 4.45Å; V336-L353 HydrophobicContact CG1-CD1 4.16Å; V336-L353 HydrophobicContact CG1-CD2 3.44Å; V336-L353 VanDerWaalsContact CG1-CD2 3.44Å; V336-L353 HydrophobicContact CG1-CG 4.4Å; L353-Y361 HydrophobicContact CD2-CD1 4.2Å; L353-Y361 HydrophobicContact CD2-CE1 4.02Å
354T95.6Very high92.5Very high53 Ų5337.8 Ų37.833%0.32522%0.217SC..EExtended strand (participates in β ladder)trans-77.8122.3168.9-58.40000110.3S356T354-S356 PolarHBondContact O-N 2.89Å; T354-S356 VanDerWaalsContact O-N 3.15Å
355C94.1Very high92.9Very high0 Ų037.9 Ų37.90%022%0.217CC..  trans-77.698.9175.5-56.90000109.4I296 P299 G300 C301 L303 Y361I296-C355 HydrophobicContact CG1-CB 4.43Å; I296-C355 HydrophobicContact CG2-CB 3.97Å; P299-C355 WeakPolarHBondContact CA-O 3.34Å; G300-C355 PolarHBondContact N-O 3.48Å; C301-C355 PolarHBondContact O-N 3.29Å; L303-C355 VanDerWaalsContact CD1-SG 3.58Å; L303-C355 VanDerWaalsContact CG-SG 3.58Å; C355-Y361 WeakPolarHBondContact CA-OH 3.45Å; C355-Y361 HydrophobicContact CB-CE1 4.24Å; C355-Y361 HydrophobicContact CB-CE2 3.85Å
356S90.5Very high93.4Very high79 Ų7935.3 Ų35.355%0.55221%0.206SC*.  trans-84.1-28.6-175.9-59.30000112.7P299 T354 Y361P299-S356 WeakPolarHBondContact CB-O 3.27Å; T354-S356 PolarHBondContact O-N 2.89Å; T354-S356 VanDerWaalsContact O-N 3.15Å; S356-Y361 PolarHBondContact N-OH 3.17Å
357D90.9Very high93.9Very high96 Ų9629.8 Ų29.851%0.51318%0.177SC..SBendtrans-114.5142.4-178.7-60.2-69000110.7L320 Y361L320-D357 HydrophobicContact CD2-CB 4.15Å; D357-Y361 PolarHBondContact N-OH 2.92Å; D357-Y361 VanDerWaalsContact O-CE2 3.31Å; D357-Y361 WeakPolarHBondContact O-CE2 3.04Å; D357-Y361 PolarHBondContact O-OH 2.76Å
358P92.2Very high93.7Very high79 Ų7930.9 Ų30.951%0.51318%0.184SC..  trans-70.2147.2169.732.1-32.8000110.3I296I296-P358 CarbonylContact O-C 3.33Å; I296-P358 WeakPolarHBondContact O-CA 3.5Å; I296-P358 WeakPolarHBondContact O-CB 3.36Å
359G93.3Very high93.3Very high15 Ų1532.1 Ų32.116%0.15519%0.188CC..EExtended strand (participates in β ladder)trans148.2-166.6-178.700000111.4I296I296-G359 PolarHBondContact N-O 3.02Å; I296-G359 PolarHBondContact O-N 2.88Å
360I94.7Very high92.7Very high3 Ų330.2 Ų30.22%0.01518%0.181CC..EExtended strand (participates in β ladder)trans-107.1111.3-176.3-61.5159.4000109.1E293 Y294 E295 L320 K321 K323 M324 V362E293-I360 HydrophobicContact CB-CG2 3.8Å; E293-I360 HydrophobicContact CG-CG2 4.45Å; Y294-I360 WeakPolarHBondContact O-CA 3.33Å; E295-I360 HydrophobicContact CB-CG1 4.23Å; E295-I360 HydrophobicContact CG-CG1 4.27Å; L320-I360 WeakPolarHBondContact CA-O 3.48Å; K321-I360 HydrophobicContact CG-CB 3.82Å; K321-I360 HydrophobicContact CG-CD1 4.38Å; K321-I360 HydrophobicContact CG-CG2 4.16Å; K321-I360 PolarHBondContact N-O 3.45Å; K321-I360 PolarHBondContact O-N 2.96Å; K323-I360 WeakPolarHBondContact O-CD1 3.33Å; M324-I360 HydrophobicContact CB-CD1 3.92Å; M324-I360 HydrophobicContact CE-CD1 4.36Å; M324-I360 HydrophobicContact CE-CG1 4.45Å; M324-I360 HydrophobicContact CG-CD1 3.48Å; M324-I360 VanDerWaalsContact CG-CD1 3.48Å; M324-I360 HydrophobicContact CG-CG1 4.39Å; M324-I360 HydrophobicContact SD-CD1 4.05Å; I360-V362 HydrophobicContact CG2-CG2 4.26Å
361Y96.1Very high91.5Very high4 Ų436.5 Ų36.52%0.01621%0.206CC..EExtended strand (participates in β ladder)trans-82.9122.4175.7-71.4-106000108.6E293 Y294 I296 L303 I318 F319 L320 V336 L353 C355 S356 D357E293-Y361 WeakPolarHBondContact CA-O 3.38Å; Y294-Y361 PolarHBondContact N-O 3.16Å; Y294-Y361 PolarHBondContact O-N 3.14Å; I296-Y361 HydrophobicContact CB-CD2 4.01Å; I296-Y361 HydrophobicContact CB-CE2 3.96Å; I296-Y361 HydrophobicContact CG1-CD2 3.48Å; I296-Y361 VanDerWaalsContact CG1-CD2 3.48Å; I296-Y361 HydrophobicContact CG1-CE2 3.84Å; I296-Y361 HydrophobicContact CG1-CG 4.41Å; I296-Y361 HydrophobicContact CG2-CE2 4.48Å; L303-Y361 HydrophobicContact CD1-CD1 3.64Å; L303-Y361 HydrophobicContact CD1-CE1 4.5Å; L303-Y361 HydrophobicContact CD1-CG 3.66Å; I318-Y361 HydrophobicContact CG2-CD1 4.15Å; F319-Y361 CarbonylContact O-C 3.37Å; F319-Y361 WeakPolarHBondContact O-CA 3.46Å; L320-Y361 HydrophobicContact CD1-CD2 3.8Å; L320-Y361 HydrophobicContact CD1-CE1 4.46Å; L320-Y361 HydrophobicContact CD1-CE2 3.65Å; L320-Y361 HydrophobicContact CD1-CG 4.26Å; V336-Y361 HydrophobicContact CG1-CE1 4.25Å; V336-Y361 HydrophobicContact CG2-CE1 4.42Å; L353-Y361 HydrophobicContact CD2-CD1 4.2Å; L353-Y361 HydrophobicContact CD2-CE1 4.02Å; C355-Y361 WeakPolarHBondContact CA-OH 3.45Å; C355-Y361 HydrophobicContact CB-CE1 4.24Å; C355-Y361 HydrophobicContact CB-CE2 3.85Å; S356-Y361 PolarHBondContact N-OH 3.17Å; D357-Y361 PolarHBondContact N-OH 2.92Å; D357-Y361 VanDerWaalsContact O-CE2 3.31Å; D357-Y361 WeakPolarHBondContact O-CE2 3.04Å; D357-Y361 PolarHBondContact O-OH 2.76Å
362V96.5Very high90.4Very high0 Ų041.8 Ų41.80%023%0.23CC..EExtended strand (participates in β ladder)trans-108.2107.2-178.2-176.50000108Q291 V292 E293 I318 F319 K321 M333 I360Q291-V362 HydrophobicContact CB-CG1 3.8Å; Q291-V362 HydrophobicContact CG-CG1 4.09Å; V292-V362 WeakPolarHBondContact O-CA 3.48Å; E293-V362 HydrophobicContact CG-CG1 4.37Å; E293-V362 HydrophobicContact CG-CG2 4.09Å; I318-V362 WeakPolarHBondContact CA-O 3.21Å; F319-V362 HydrophobicContact CB-CB 4.36Å; F319-V362 PolarHBondContact N-O 3.33Å; F319-V362 PolarHBondContact O-N 2.72Å; K321-V362 HydrophobicContact CD-CG2 4.14Å; K321-V362 HydrophobicContact CG-CG2 4.22Å; M333-V362 HydrophobicContact CE-CG1 4.45Å; M333-V362 HydrophobicContact SD-CB 4.14Å; M333-V362 HydrophobicContact SD-CG1 4.36Å; M333-V362 HydrophobicContact SD-CG2 3.86Å; I360-V362 HydrophobicContact CG2-CG2 4.26Å
363L97Very high89.7Confident0 Ų046.2 Ų46.20%025%0.248CC..EExtended strand (participates in β ladder)trans-90.2116.8173.7-59.387.2000107.7Q291 V292 Y294 L303 W305 F316 I318 V381Q291-L363 VanDerWaalsContact CA-O 3.24Å; Q291-L363 WeakPolarHBondContact CA-O 3.17Å; V292-L363 HydrophobicContact CG2-CB 3.88Å; V292-L363 HydrophobicContact CG2-CD1 4.26Å; V292-L363 PolarHBondContact N-O 3.14Å; V292-L363 PolarHBondContact O-N 2.81Å; Y294-L363 HydrophobicContact CD2-CD1 3.68Å; Y294-L363 HydrophobicContact CE2-CD1 4.07Å; L303-L363 HydrophobicContact CD1-CD1 4.43Å; L303-L363 HydrophobicContact CD2-CD1 4.3Å; W305-L363 HydrophobicContact CB-CD2 4.16Å; W305-L363 HydrophobicContact CD2-CD2 4.48Å; W305-L363 HydrophobicContact CE3-CD2 4.29Å; W305-L363 HydrophobicContact CG-CD2 4.45Å; F316-L363 HydrophobicContact CE2-CB 4.14Å; F316-L363 HydrophobicContact CE2-CD2 4.43Å; F316-L363 HydrophobicContact CZ-CB 4.46Å; F316-L363 HydrophobicContact CZ-CD2 4.11Å; I318-L363 HydrophobicContact CD1-CD2 4.14Å; I318-L363 HydrophobicContact CD1-CG 4.29Å; I318-L363 HydrophobicContact CG1-CD2 4.39Å; I318-L363 HydrophobicContact CG1-CG 4.1Å; I318-L363 HydrophobicContact CG2-CG 4.45Å; L363-V381 HydrophobicContact CD1-CG1 4.08Å; L363-V381 HydrophobicContact CD2-CB 4.44Å; L363-V381 HydrophobicContact CD2-CG1 3.67Å; L363-V381 HydrophobicContact CD2-CG2 3.83Å
364R95.9Very high89.3Confident34 Ų3447.1 Ų47.113%0.12826%0.261CS..EExtended strand (participates in β ladder)trans-118.6123.3-169-174.7175.9-178.8-163.5-6.4111.3S289 H290 Q291 F316 G317 F319S289-R364 PolarHBondContact OG-NE 3.35Å; S289-R364 PolarHBondContact OG-NH2 3.48Å; H290-R364 CarbonylContact O-C 3.48Å; H290-R364 WeakPolarHBondContact O-CA 3.19Å; Q291-R364 HydrophobicContact CB-CB 4.31Å; Q291-R364 HydrophobicContact CB-CG 4.35Å; F316-R364 WeakPolarHBondContact CA-O 3.48Å; G317-R364 PolarHBondContact N-O 3.28Å; G317-R364 VanDerWaalsContact N-O 3.16Å; G317-R364 PolarHBondContact O-N 3.43Å; F319-R364 HydrophobicContact CD2-CB 4.25Å; F319-R364 HydrophobicContact CE2-CB 4.03Å
365F96.1Very high89.1Confident1 Ų145 Ų450%0.00425%0.247CC..EExtended strand (participates in β ladder)trans-95.2123.2169.1-61.9-77.3000110.2I284 S289 H290 F307 V314 G315 F316 V377 F379I284-F365 HydrophobicContact CD1-CB 3.47Å; I284-F365 VanDerWaalsContact CD1-CB 3.47Å; I284-F365 HydrophobicContact CD1-CG 4.48Å; S289-F365 CarbonylContact C-O 3.6Å; S289-F365 WeakPolarHBondContact CA-O 2.87Å; S289-F365 WeakPolarHBondContact CB-O 3.4Å; H290-F365 PolarHBondContact N-O 3.05Å; H290-F365 PolarHBondContact O-N 2.97Å; F307-F365 HydrophobicContact CB-CE1 3.72Å; F307-F365 HydrophobicContact CB-CZ 4.02Å; F307-F365 AromaticContact CD1-CE1 3.69Å; F307-F365 HydrophobicContact CD1-CE1 3.69Å; F307-F365 HydrophobicContact CD1-CZ 4.27Å; F307-F365 AromaticContact CD2-CE1 3.95Å; F307-F365 HydrophobicContact CD2-CE1 3.95Å; F307-F365 HydrophobicContact CE1-CE1 4.24Å; F307-F365 HydrophobicContact CE2-CE1 4.48Å; F307-F365 HydrophobicContact CG-CD1 4.5Å; F307-F365 AromaticContact CG-CE1 3.52Å; F307-F365 HydrophobicContact CG-CE1 3.52Å; F307-F365 HydrophobicContact CG-CZ 4.22Å; V314-F365 HydrophobicContact CG2-CB 4.39Å; G315-F365 CarbonylContact O-C 3.46Å; G315-F365 WeakPolarHBondContact O-CA 3.3Å; F316-F365 AromaticContact CD2-CD1 3.73Å; F316-F365 HydrophobicContact CD2-CD1 3.73Å; F316-F365 AromaticContact CD2-CE1 3.44Å; F316-F365 HydrophobicContact CD2-CE1 3.44Å; F316-F365 VanDerWaalsContact CD2-CE1 3.44Å; F316-F365 HydrophobicContact CD2-CG 4.43Å; F316-F365 AromaticContact CD2-CZ 3.96Å; F316-F365 HydrophobicContact CD2-CZ 3.96Å; F316-F365 AromaticContact CE2-CE1 3.9Å; F316-F365 HydrophobicContact CE2-CE1 3.9Å; F316-F365 AromaticContact CE2-CZ 3.95Å; F316-F365 HydrophobicContact CE2-CZ 3.95Å; F316-F365 HydrophobicContact CG-CE1 4.4Å; F365-V377 HydrophobicContact CD1-CG1 3.86Å; F365-V377 HydrophobicContact CE1-CG1 3.95Å; F365-V377 HydrophobicContact CG-CG1 4.26Å; F365-V377 HydrophobicContact CZ-CG1 4.41Å; F365-F379 HydrophobicContact CD2-CD1 4.44Å; F365-F379 HydrophobicContact CE1-CB 4.49Å; F365-F379 HydrophobicContact CE2-CB 4.15Å; F365-F379 AromaticContact CE2-CD1 3.78Å; F365-F379 HydrophobicContact CE2-CD1 3.78Å; F365-F379 AromaticContact CE2-CD2 3.82Å; F365-F379 HydrophobicContact CE2-CD2 3.82Å; F365-F379 HydrophobicContact CE2-CE1 4.06Å; F365-F379 HydrophobicContact CE2-CE2 4.1Å; F365-F379 AromaticContact CE2-CG 3.64Å; F365-F379 HydrophobicContact CE2-CG 3.64Å; F365-F379 HydrophobicContact CE2-CZ 4.21Å; F365-F379 HydrophobicContact CZ-CB 3.67Å; F365-F379 HydrophobicContact CZ-CD1 4.14Å; F365-F379 HydrophobicContact CZ-CD2 4.07Å; F365-F379 AromaticContact CZ-CG 3.71Å; F365-F379 HydrophobicContact CZ-CG 3.71Å
366D93.1Very high89.1Confident12 Ų1248.4 Ų48.46%0.06426%0.262CS..EExtended strand (participates in β ladder)trans-116.1122.1-168.9-167.6-5.6000111.8G315 N339 T368 Y369G315-D366 WeakPolarHBondContact CA-O 3.32Å; G315-D366 PolarHBondContact N-O 2.98Å; G315-D366 PolarHBondContact O-N 3.48Å; N339-D366 PolarHBondContact ND2-OD2 2.78Å; N339-D366 VanDerWaalsContact ND2-OD2 3.14Å; D366-T368 VanDerWaalsContact CG-OG1 3.28Å; D366-T368 WeakPolarHBondContact OD1-CB 3.06Å; D366-T368 WeakPolarHBondContact OD1-CG2 3.36Å; D366-T368 PolarHBondContact OD1-N 3.24Å; D366-T368 PolarHBondContact OD1-OG1 2.9Å; D366-T368 PolarHBondContact OD2-OG1 2.87Å; D366-Y369 VanDerWaalsContact O-CE1 3.28Å; D366-Y369 WeakPolarHBondContact O-CE1 3.45Å
367N92.8Very high89.3Confident0 Ų044.6 Ų44.60%024%0.236CC..  trans-120.522.9172.7-165.631.6000111.9I284 S285 G287 S288 Y369 S370 H373 K375I284-N367 HydrophobicContact CB-CB 4.19Å; I284-N367 HydrophobicContact CG2-CB 3.63Å; I284-N367 PolarHBondContact O-ND2 2.72Å; S285-N367 PolarHBondContact O-ND2 2.66Å; G287-N367 PolarHBondContact N-O 2.88Å; G287-N367 VanDerWaalsContact N-O 3.12Å; S288-N367 CarbonylContact O-C 3.56Å; S288-N367 WeakPolarHBondContact O-CA 3.49Å; S288-N367 PolarHBondContact O-N 2.88Å; N367-Y369 PolarHBondContact O-N 2.94Å; N367-S370 PolarHBondContact O-N 2.89Å; N367-S370 WeakPolarHBondContact OD1-CB 3.33Å; N367-H373 PolarHBondContact ND2-O 3.44Å; N367-H373 VanDerWaalsContact ND2-O 3.09Å; N367-K375 VanDerWaalsContact OD1-CD 3.24Å; N367-K375 WeakPolarHBondContact OD1-CD 3.24Å; N367-K375 WeakPolarHBondContact OD1-CE 3.41Å; N367-K375 PolarHBondContact OD1-NZ 2.8Å
368T84Confident89.5Confident70 Ų7041.3 Ų41.343%0.42922%0.218SC..THydrogen-bonded Turntrans-67.8-21-177.855.30000113.5S288 D366S288-T368 PolarHBondContact O-N 2.85Å; D366-T368 VanDerWaalsContact CG-OG1 3.28Å; D366-T368 WeakPolarHBondContact OD1-CB 3.06Å; D366-T368 WeakPolarHBondContact OD1-CG2 3.36Å; D366-T368 PolarHBondContact OD1-N 3.24Å; D366-T368 PolarHBondContact OD1-OG1 2.9Å; D366-T368 PolarHBondContact OD2-OG1 2.87Å
369Y81.3Confident89.7Confident33 Ų3337.7 Ų37.713%0.12919%0.194CC..THydrogen-bonded Turntrans-91.2-6.917960.8-93.9000114.5D313 V314 G315 R341 D366 N367 F371 K375D313-Y369 PolarHBondContact O-OH 3.38Å; D313-Y369 WeakPolarHBondContact OD1-CE2 3.17Å; D313-Y369 PolarHBondContact OD1-OH 3Å; D313-Y369 WeakPolarHBondContact OD2-CE2 3.31Å; V314-Y369 WeakPolarHBondContact CA-OH 3.26Å; V314-Y369 PolarHBondContact N-OH 3.01Å; G315-Y369 PolarHBondContact N-OH 3.49Å; R341-Y369 HydrophobicContact CG-CE1 4.19Å; R341-Y369 VanDerWaalsContact NH2-CB 3.34Å; D366-Y369 VanDerWaalsContact O-CE1 3.28Å; D366-Y369 WeakPolarHBondContact O-CE1 3.45Å; N367-Y369 PolarHBondContact O-N 2.94Å; Y369-F371 WeakPolarHBondContact O-CD2 3.43Å; Y369-F371 WeakPolarHBondContact O-CE2 3.44Å; Y369-K375 VanDerWaalsContact CE2-NZ 3.29Å; Y369-K375 PolarHBondContact OH-NZ 2.93Å
370S81.2Confident89.9Confident19 Ų1937.5 Ų37.513%0.13319%0.19CC..  trans-78.9125.3175.7176.10000110.5N367 H373N367-S370 PolarHBondContact O-N 2.89Å; N367-S370 WeakPolarHBondContact OD1-CB 3.33Å; S370-H373 PolarHBondContact OG-N 2.85Å; S370-H373 PolarHBondContact OG-O 2.77Å
371F69.9Low90Very high183 Ų18337.5 Ų37.580%0.80319%0.19SC*.SBendtrans-86.6-22179.6-64.8-79.1000113.4Y369Y369-F371 WeakPolarHBondContact O-CD2 3.43Å; Y369-F371 WeakPolarHBondContact O-CE2 3.44Å
372I70.6Confident89.9Confident125 Ų12539.8 Ų39.864%0.64120%0.201SC*.SBendtrans-127.7-38-165.1-45.2-179.2000112.8
373H81.4Confident89.9Confident127 Ų12741.9 Ų41.959%0.58821%0.214SC*.  trans-119.4138-165.5-58.2-63.7000113.4N367 S370N367-H373 PolarHBondContact ND2-O 3.44Å; N367-H373 VanDerWaalsContact ND2-O 3.09Å; S370-H373 PolarHBondContact OG-N 2.85Å; S370-H373 PolarHBondContact OG-O 2.77Å
374A88.5Confident89.9Confident57 Ų5742.4 Ų42.447%0.47122%0.217SC..  trans-68.4153.8159.400000109.5I284I284-A374 CarbonylContact O-C 3.47Å; I284-A374 VanDerWaalsContact O-CA 3.27Å; I284-A374 WeakPolarHBondContact O-CA 3.47Å
375K90.4Very high89.8Confident7 Ų745.6 Ų45.63%0.0324%0.236CC..EExtended strand (participates in β ladder)trans-121.3126.9-179.4-67.4-170.8178.5139.50110.7I284 D313 N367 Y369I284-K375 PolarHBondContact N-O 2.92Å; I284-K375 PolarHBondContact O-N 2.77Å; D313-K375 WeakPolarHBondContact O-CD 3.29Å; D313-K375 WeakPolarHBondContact O-CE 3.15Å; D313-K375 PolarHBondContact O-NZ 3.04Å; D313-K375 IonicContact OD1-NZ 2.76Å; N367-K375 VanDerWaalsContact OD1-CD 3.24Å; N367-K375 WeakPolarHBondContact OD1-CD 3.24Å; N367-K375 WeakPolarHBondContact OD1-CE 3.41Å; N367-K375 PolarHBondContact OD1-NZ 2.8Å; Y369-K375 VanDerWaalsContact CE2-NZ 3.29Å; Y369-K375 PolarHBondContact OH-NZ 2.93Å
376K94Very high89.7Confident72 Ų7246.9 Ų46.931%0.31324%0.244SC..EExtended strand (participates in β ladder)trans-83.2126.2166.4-165.8178.7173.4-1660108.7S281 V282 S309 D310S281-K376 WeakPolarHBondContact OG-CE 3.42Å; V282-K376 CarbonylContact O-C 3.55Å; V282-K376 WeakPolarHBondContact O-CA 3.34Å; S309-K376 WeakPolarHBondContact CA-O 3.32Å; D310-K376 HydrophobicContact CB-CB 4.22Å; D310-K376 PolarHBondContact N-O 3.4Å; D310-K376 WeakPolarHBondContact OD2-CD 3.4Å
377V95.3Very high89.8Confident0 Ų047 Ų470%024%0.244CC..EExtended strand (participates in β ladder)trans-122.4122.9177.8-176.70000108.2S281 V282 I284 F307 M308 V314 F365 F379S281-V377 WeakPolarHBondContact CA-O 3.4Å; V282-V377 HydrophobicContact CG2-CB 4.16Å; V282-V377 PolarHBondContact N-O 2.9Å; V282-V377 PolarHBondContact O-N 2.91Å; I284-V377 HydrophobicContact CD1-CB 4.43Å; I284-V377 HydrophobicContact CD1-CG2 3.74Å; I284-V377 HydrophobicContact CG1-CG2 4.33Å; F307-V377 HydrophobicContact CB-CG1 4.3Å; M308-V377 WeakPolarHBondContact O-CA 3.48Å; V314-V377 HydrophobicContact CB-CG2 4.49Å; V314-V377 HydrophobicContact CG2-CG2 3.89Å; F365-V377 HydrophobicContact CD1-CG1 3.86Å; F365-V377 HydrophobicContact CE1-CG1 3.95Å; F365-V377 HydrophobicContact CG-CG1 4.26Å; F365-V377 HydrophobicContact CZ-CG1 4.41Å; V377-F379 HydrophobicContact CG1-CD1 4.32Å
378N95.5Very high89.7Confident27 Ų2753.9 Ų53.914%0.14427%0.274CS..EExtended strand (participates in β ladder)trans-101.8128172.3-49.2-74.6000107.7Y278 H280 S281 F307 M308Y278-N378 HydrophobicContact CD1-CB 4.43Å; Y278-N378 HydrophobicContact CD2-CB 3.54Å; Y278-N378 HydrophobicContact CE2-CB 4.23Å; Y278-N378 HydrophobicContact CG-CB 3.67Å; H280-N378 CarbonylContact O-C 3.59Å; H280-N378 VanDerWaalsContact O-CA 3.24Å; H280-N378 WeakPolarHBondContact O-CA 3.07Å; S281-N378 WeakPolarHBondContact CB-OD1 3.17Å; S281-N378 PolarHBondContact OG-OD1 2.89Å; F307-N378 CarbonylContact C-O 3.45Å; F307-N378 WeakPolarHBondContact CA-O 3.42Å; F307-N378 WeakPolarHBondContact CB-O 3.41Å; M308-N378 PolarHBondContact N-O 2.93Å; M308-N378 PolarHBondContact O-N 3.37Å
379F96.6Very high90Very high2 Ų253.5 Ų53.51%0.00928%0.278CS..EExtended strand (participates in β ladder)trans-149.8164.8-174.771.9-88.2000113.7E279 H280 V282 H290 V292 Q306 F307 F365 V377 V381E279-F379 PolarHBondContact N-O 2.62Å; H280-F379 HydrophobicContact CB-CD1 4.1Å; H280-F379 HydrophobicContact CB-CD2 4.39Å; H280-F379 HydrophobicContact CB-CE1 3.74Å; H280-F379 HydrophobicContact CB-CE2 4.07Å; H280-F379 HydrophobicContact CB-CG 4.42Å; H280-F379 HydrophobicContact CB-CZ 3.73Å; H280-F379 AromaticContact CD2-CE2 3.67Å; H280-F379 AromaticContact CD2-CZ 3.99Å; H280-F379 PolarHBondContact N-O 3.14Å; H280-F379 PolarHBondContact O-N 3.26Å; V282-F379 HydrophobicContact CG1-CE1 3.95Å; V282-F379 HydrophobicContact CG2-CD1 4.31Å; V282-F379 HydrophobicContact CG2-CE1 3.82Å; H290-F379 AromaticContact NE2-CZ 3.83Å; V292-F379 HydrophobicContact CG1-CE2 3.88Å; V292-F379 HydrophobicContact CG1-CZ 3.82Å; V292-F379 HydrophobicContact CG2-CE2 4.34Å; Q306-F379 CarbonylContact O-C 3.59Å; Q306-F379 WeakPolarHBondContact O-CA 3.29Å; Q306-F379 WeakPolarHBondContact O-CB 3.45Å; F307-F379 HydrophobicContact CB-CB 3.62Å; F365-F379 HydrophobicContact CD2-CD1 4.44Å; F365-F379 HydrophobicContact CE1-CB 4.49Å; F365-F379 HydrophobicContact CE2-CB 4.15Å; F365-F379 AromaticContact CE2-CD1 3.78Å; F365-F379 HydrophobicContact CE2-CD1 3.78Å; F365-F379 AromaticContact CE2-CD2 3.82Å; F365-F379 HydrophobicContact CE2-CD2 3.82Å; F365-F379 HydrophobicContact CE2-CE1 4.06Å; F365-F379 HydrophobicContact CE2-CE2 4.1Å; F365-F379 AromaticContact CE2-CG 3.64Å; F365-F379 HydrophobicContact CE2-CG 3.64Å; F365-F379 HydrophobicContact CE2-CZ 4.21Å; F365-F379 HydrophobicContact CZ-CB 3.67Å; F365-F379 HydrophobicContact CZ-CD1 4.14Å; F365-F379 HydrophobicContact CZ-CD2 4.07Å; F365-F379 AromaticContact CZ-CG 3.71Å; F365-F379 HydrophobicContact CZ-CG 3.71Å; V377-F379 HydrophobicContact CG1-CD1 4.32Å; F379-V381 HydrophobicContact CD2-CG2 4.03Å; F379-V381 HydrophobicContact CE2-CG2 4.39Å
380T96.6Very high90.3Very high11 Ų1152.4 Ų52.47%0.06728%0.276CS..EExtended strand (participates in β ladder)trans-143.8137.6172.3-59.60000108.3Y278 E279 W305 Q306 E382Y278-T380 WeakPolarHBondContact CA-OG1 3.24Å; E279-T380 HydrophobicContact CB-CG2 4.24Å; E279-T380 PolarHBondContact N-OG1 2.81Å; W305-T380 CarbonylContact C-O 3.5Å; W305-T380 VanDerWaalsContact CA-O 3.27Å; W305-T380 WeakPolarHBondContact CA-O 3.49Å; Q306-T380 PolarHBondContact N-O 3.32Å; Q306-T380 PolarHBondContact O-N 3.27Å; T380-E382 HydrophobicContact CG2-CG 4.2Å
381V96.4Very high90.7Very high4 Ų454.4 Ų54.42%0.02428%0.283CS..EExtended strand (participates in β ladder)trans-134.4129176.8-178.70000108.5V292 Y294 L303 R304 W305 L363 F379V292-V381 HydrophobicContact CG2-CG2 4.26Å; Y294-V381 HydrophobicContact CD2-CG1 4.15Å; Y294-V381 HydrophobicContact CE2-CB 3.92Å; Y294-V381 HydrophobicContact CE2-CG1 3.45Å; Y294-V381 VanDerWaalsContact CE2-CG1 3.45Å; Y294-V381 WeakPolarHBondContact OH-CB 3.47Å; Y294-V381 PolarHBondContact OH-O 2.8Å; Y294-V381 VanDerWaalsContact OH-O 3.14Å; L303-V381 HydrophobicContact CD2-CG1 4.11Å; R304-V381 CarbonylContact O-C 3.52Å; R304-V381 WeakPolarHBondContact O-CA 3.47Å; W305-V381 HydrophobicContact CB-CG2 3.97Å; L363-V381 HydrophobicContact CD1-CG1 4.08Å; L363-V381 HydrophobicContact CD2-CB 4.44Å; L363-V381 HydrophobicContact CD2-CG1 3.67Å; L363-V381 HydrophobicContact CD2-CG2 3.83Å; F379-V381 HydrophobicContact CD2-CG2 4.03Å; F379-V381 HydrophobicContact CE2-CG2 4.39Å
382E95.6Very high91.7Very high51 Ų5151.1 Ų51.124%0.23827%0.27CS..EExtended strand (participates in β ladder)trans-127.4140-177.1-65.9164127.700109.4K165 R304 T380 L384K165-E382 IonicContact NZ-OE1 2.68Å; K165-E382 PolarHBondContact NZ-OE1 2.87Å; K165-E382 VanDerWaalsContact NZ-OE1 3.15Å; K165-E382 IonicContact NZ-OE2 3.5Å; R304-E382 IonicContact CZ-OE2 3.53Å; R304-E382 PolarHBondContact N-O 3.1Å; R304-E382 IonicContact NE-OE2 3.83Å; R304-E382 PolarHBondContact NE-OE2 2.89Å; R304-E382 VanDerWaalsContact NH2-CD 3.28Å; R304-E382 IonicContact NH2-OE1 2.8Å; R304-E382 PolarHBondContact NH2-OE1 3.27Å; R304-E382 IonicContact NH2-OE2 3.4Å; R304-E382 PolarHBondContact NH2-OE2 3Å; R304-E382 PolarHBondContact O-N 2.99Å; T380-E382 HydrophobicContact CG2-CG 4.2Å; E382-L384 HydrophobicContact CB-CD2 3.88Å
383V96Very high92.5Very high44 Ų4449 Ų4927%0.26726%0.256SS..EExtended strand (participates in β ladder)trans-100112.3168.8-178.70000108.1Y294 I296 C301 L303 L385Y294-V383 HydrophobicContact CD1-CG2 3.41Å; Y294-V383 VanDerWaalsContact CD1-CG2 3.41Å; Y294-V383 HydrophobicContact CE1-CG2 3.99Å; Y294-V383 HydrophobicContact CG-CG2 4Å; I296-V383 HydrophobicContact CD1-CG1 3.89Å; I296-V383 HydrophobicContact CD1-CG2 4.08Å; C301-V383 HydrophobicContact CB-CG1 4.03Å; L303-V383 HydrophobicContact CD2-CG2 3.76Å; V383-L385 HydrophobicContact CG1-CD2 3.89Å
384L95.8Very high92.8Very high12 Ų1243.2 Ų43.26%0.06323%0.23CC..EExtended strand (participates in β ladder)trans-92.1108.4-179.2-44.1-176.4000108.6L163 V200 L204 C301 V302 R304 E382L163-L384 HydrophobicContact CB-CD1 4.41Å; L163-L384 HydrophobicContact CD1-CD1 4.33Å; V200-L384 HydrophobicContact CG1-CB 3.67Å; L204-L384 HydrophobicContact CD1-CD1 4.1Å; L204-L384 HydrophobicContact CD2-CD1 4.27Å; L204-L384 HydrophobicContact CD2-CD2 3.94Å; L204-L384 HydrophobicContact CD2-CG 4.49Å; C301-L384 CarbonylContact C-O 3.5Å; C301-L384 VanDerWaalsContact CA-O 3.31Å; C301-L384 WeakPolarHBondContact CA-O 3.43Å; C301-L384 WeakPolarHBondContact CB-O 3.46Å; V302-L384 HydrophobicContact CB-CB 4.19Å; V302-L384 HydrophobicContact CB-CD1 4.46Å; V302-L384 HydrophobicContact CG1-CD1 4.32Å; V302-L384 PolarHBondContact N-O 3.13Å; V302-L384 PolarHBondContact O-N 3.33Å; R304-L384 HydrophobicContact CB-CD1 3.98Å; R304-L384 HydrophobicContact CB-CG 4.22Å; E382-L384 HydrophobicContact CB-CD2 3.88Å
385L94.7Very high92.7Very high101 Ų10147.1 Ų47.153%0.52924%0.236SC..  trans-84.7145.1-176.7-60.8176.6000111.5N203 C301 V383N203-L385 WeakPolarHBondContact CB-O 3.28Å; N203-L385 PolarHBondContact ND2-O 3.3Å; C301-L385 HydrophobicContact CB-CD2 3.98Å; V383-L385 HydrophobicContact CG1-CD2 3.89Å
386P93.9Very high92.5Very high28 Ų2854.7 Ų54.718%0.18227%0.271CS..  trans-69.4145.1170.929.4-33.7000111.7P199 V200 K388P199-P386 HydrophobicContact CB-CB 3.81Å; V200-P386 HydrophobicContact CG2-CB 3.94Å; P386-K388 PolarHBondContact O-N 2.93Å
387D94.5Very high91.9Very high13 Ų1353.9 Ų53.97%0.0727%0.27CS..  trans-70.8111.6166.5176.371.8000109.8P199 Y202 N203 K206 A389 S390 E391P199-D387 PolarHBondContact O-N 3.28Å; Y202-D387 HydrophobicContact CD1-CB 4.16Å; N203-D387 HydrophobicContact CB-CB 3.9Å; K206-D387 IonicContact NZ-OD1 4Å; K206-D387 PolarHBondContact NZ-OD1 3.35Å; D387-A389 VanDerWaalsContact C-N 3.32Å; D387-A389 PolarHBondContact O-N 2.88Å; D387-S390 PolarHBondContact O-N 2.86Å; D387-S390 VanDerWaalsContact O-N 3.15Å; D387-S390 WeakPolarHBondContact OD2-CB 3.37Å; D387-S390 PolarHBondContact OD2-N 2.79Å; D387-S390 PolarHBondContact OD2-OG 3.17Å; D387-E391 PolarHBondContact O-N 2.89Å
388K91.4Very high90.6Very high145 Ų14556.2 Ų56.263%0.6329%0.294SS*.Hα-helixtrans-55.3-43.3-174.9-68.2-172.5175.6-175.50113.4P386 S390 E391 E392P386-K388 PolarHBondContact O-N 2.93Å; K388-S390 PolarHBondContact O-N 3.09Å; K388-E391 WeakPolarHBondContact O-CB 3.2Å; K388-E391 PolarHBondContact O-N 3.37Å; K388-E392 WeakPolarHBondContact O-CG 3.33Å; K388-E392 PolarHBondContact O-N 3.03Å
389A90.4Very high88.8Confident62 Ų6256.1 Ų56.151%0.51230%0.297SS..Hα-helixtrans-64.4-40.8-179.300000111.9D387 K393D387-A389 VanDerWaalsContact C-N 3.32Å; D387-A389 PolarHBondContact O-N 2.88Å; A389-K393 WeakPolarHBondContact O-CB 3.41Å; A389-K393 PolarHBondContact O-N 2.98Å
390S88.4Confident86.5Confident11 Ų1157.3 Ų57.38%0.07731%0.31CS..Hα-helixtrans-68.7-38.7175.4-60.20000111.9Y202 D387 K388 K393 M394Y202-S390 WeakPolarHBondContact CD1-OG 3.14Å; Y202-S390 WeakPolarHBondContact CE1-OG 2.93Å; D387-S390 PolarHBondContact O-N 2.86Å; D387-S390 VanDerWaalsContact O-N 3.15Å; D387-S390 WeakPolarHBondContact OD2-CB 3.37Å; D387-S390 PolarHBondContact OD2-N 2.79Å; D387-S390 PolarHBondContact OD2-OG 3.17Å; K388-S390 PolarHBondContact O-N 3.09Å; S390-K393 PolarHBondContact O-N 2.78Å; S390-M394 WeakPolarHBondContact O-CB 3.32Å; S390-M394 VanDerWaalsContact O-CG 3.29Å; S390-M394 WeakPolarHBondContact O-CG 3Å; S390-M394 PolarHBondContact O-N 3.42Å
391E89Confident83.6Confident60 Ų6062.6 Ų62.628%0.2834%0.343SS..Hα-helixtrans-60.6-47.8175.6-164-163.6165.300111.8P199 D387 K388 K393 M394 K395P199-E391 HydrophobicContact CB-CB 4.16Å; P199-E391 HydrophobicContact CG-CB 4.11Å; P199-E391 HydrophobicContact CG-CG 4.45Å; D387-E391 PolarHBondContact O-N 2.89Å; K388-E391 WeakPolarHBondContact O-CB 3.2Å; K388-E391 PolarHBondContact O-N 3.37Å; E391-K393 PolarHBondContact O-N 2.88Å; E391-M394 PolarHBondContact O-N 3.13Å; E391-K395 WeakPolarHBondContact O-CG 3.1Å; E391-K395 PolarHBondContact O-N 3.15Å; E391-K395 VanDerWaalsContact OE1-CE 3.29Å; E391-K395 WeakPolarHBondContact OE1-CE 3.3Å; E391-K395 IonicContact OE1-NZ 3.78Å; E391-K395 PolarHBondContact OE1-NZ 2.98Å
392E90Very high80.8Confident115 Ų11567.8 Ų67.854%0.53738%0.376SS..Hα-helixtrans-59.6-45.3175.4-73.5172.2-17100111.7K388 M394 K395 Q396K388-E392 WeakPolarHBondContact O-CG 3.33Å; K388-E392 PolarHBondContact O-N 3.03Å; E392-M394 VanDerWaalsContact C-N 3.34Å; E392-M394 PolarHBondContact O-N 2.85Å; E392-K395 WeakPolarHBondContact O-CB 3.39Å; E392-K395 PolarHBondContact O-N 2.99Å; E392-Q396 WeakPolarHBondContact O-CG 3.24Å; E392-Q396 PolarHBondContact O-N 2.94Å
393K88.7Confident77.7Confident79 Ų7978.8 Ų78.834%0.34342%0.423SS..Hα-helixtrans-61.5-41.5177.5-173.2170.3-177171.10111.9V219 A389 S390 E391 Q396 L397V219-K393 HydrophobicContact CB-CD 4.37Å; A389-K393 WeakPolarHBondContact O-CB 3.41Å; A389-K393 PolarHBondContact O-N 2.98Å; S390-K393 PolarHBondContact O-N 2.78Å; E391-K393 PolarHBondContact O-N 2.88Å; K393-Q396 PolarHBondContact O-N 2.86Å; K393-L397 HydrophobicContact CG-CD1 3.96Å; K393-L397 VanDerWaalsContact O-CG 3.23Å; K393-L397 WeakPolarHBondContact O-CG 3.27Å; K393-L397 PolarHBondContact O-N 2.93Å
394M87.4Confident76.8Confident7 Ų780.5 Ų80.53%0.03443%0.431CS..Hα-helixtrans-65.5-39.9176.9-73.1-168.171.600112.6A194 P195 F198 P199 V219 S390 E391 E392 Q396 L397 G398 A399A194-M394 HydrophobicContact CB-CE 3.86Å; A194-M394 HydrophobicContact CB-SD 4.46Å; A194-M394 WeakPolarHBondContact O-CE 3.45Å; P195-M394 VanDerWaalsContact O-CE 3.25Å; P195-M394 WeakPolarHBondContact O-CE 3.43Å; F198-M394 HydrophobicContact CB-CE 4.35Å; F198-M394 HydrophobicContact CB-SD 3.79Å; F198-M394 HydrophobicContact CD1-SD 3.77Å; F198-M394 HydrophobicContact CG-SD 4.19Å; P199-M394 HydrophobicContact CG-SD 3.72Å; V219-M394 HydrophobicContact CG1-CG 4.38Å; S390-M394 WeakPolarHBondContact O-CB 3.32Å; S390-M394 VanDerWaalsContact O-CG 3.29Å; S390-M394 WeakPolarHBondContact O-CG 3Å; S390-M394 PolarHBondContact O-N 3.42Å; E391-M394 PolarHBondContact O-N 3.13Å; E392-M394 VanDerWaalsContact C-N 3.34Å; E392-M394 PolarHBondContact O-N 2.85Å; M394-Q396 VanDerWaalsContact C-N 3.33Å; M394-Q396 PolarHBondContact O-N 2.76Å; M394-L397 PolarHBondContact O-N 3.17Å; M394-G398 PolarHBondContact O-N 2.87Å; M394-A399 HydrophobicContact CB-CB 4.44Å; M394-A399 HydrophobicContact CE-CB 3.8Å; M394-A399 PolarHBondContact O-N 3.17Å; M394-A399 VanDerWaalsContact O-N 3.14Å
395K85.6Confident75.8Confident139 Ų13984.1 Ų84.160%0.60445%0.45SS*.Hα-helixtrans-59-43.9173.5-72.4172.3-175.81660111.4E391 E392 L397 G398E391-K395 WeakPolarHBondContact O-CG 3.1Å; E391-K395 PolarHBondContact O-N 3.15Å; E391-K395 VanDerWaalsContact OE1-CE 3.29Å; E391-K395 WeakPolarHBondContact OE1-CE 3.3Å; E391-K395 IonicContact OE1-NZ 3.78Å; E391-K395 PolarHBondContact OE1-NZ 2.98Å; E392-K395 WeakPolarHBondContact O-CB 3.39Å; E392-K395 PolarHBondContact O-N 2.99Å; K395-L397 VanDerWaalsContact C-N 3.33Å; K395-L397 PolarHBondContact O-N 3.22Å; K395-G398 PolarHBondContact O-N 2.8Å
396Q86.6Confident74.8Confident165 Ų16583.2 Ų83.277%0.77145%0.446SS*.Hα-helixtrans-64.5-35.1177-69.5173.2800113.1E392 K393 M394 G398E392-Q396 WeakPolarHBondContact O-CG 3.24Å; E392-Q396 PolarHBondContact O-N 2.94Å; K393-Q396 PolarHBondContact O-N 2.86Å; M394-Q396 VanDerWaalsContact C-N 3.33Å; M394-Q396 PolarHBondContact O-N 2.76Å; Q396-G398 VanDerWaalsContact C-N 3.26Å; Q396-G398 PolarHBondContact O-N 3.12Å
397L81.5Confident73.7Confident56 Ų5686.4 Ų86.429%0.29346%0.462SS..THydrogen-bonded Turntrans-80.9-1.6-178.3-69.2170.6000113.9V219 K393 M394 K395 A399V219-L397 HydrophobicContact CB-CD1 4.26Å; V219-L397 HydrophobicContact CG1-CD1 4.06Å; V219-L397 VanDerWaalsContact O-CD1 3.25Å; V219-L397 WeakPolarHBondContact O-CD1 3.43Å; K393-L397 HydrophobicContact CG-CD1 3.96Å; K393-L397 VanDerWaalsContact O-CG 3.23Å; K393-L397 WeakPolarHBondContact O-CG 3.27Å; K393-L397 PolarHBondContact O-N 2.93Å; M394-L397 PolarHBondContact O-N 3.17Å; K395-L397 VanDerWaalsContact C-N 3.33Å; K395-L397 PolarHBondContact O-N 3.22Å; L397-A399 HydrophobicContact CB-CB 4.4Å; L397-A399 PolarHBondContact O-N 3.17Å
398G68.1Low72.4Confident49 Ų4991 Ų9151%0.50549%0.486SS..THydrogen-bonded Turntrans65.711.2-172.900000113.6M394 K395 Q396 G400 T401M394-G398 PolarHBondContact O-N 2.87Å; K395-G398 PolarHBondContact O-N 2.8Å; Q396-G398 VanDerWaalsContact C-N 3.26Å; Q396-G398 PolarHBondContact O-N 3.12Å; G398-G400 PolarHBondContact O-N 2.91Å; G398-T401 PolarHBondContact O-OG1 2.7Å
399A57.4Low71.1Confident25 Ų2587.4 Ų87.421%0.20748%0.477CS..THydrogen-bonded Turntrans-76.1105.1179.400000108.9M394 L397M394-A399 HydrophobicContact CB-CB 4.44Å; M394-A399 HydrophobicContact CE-CB 3.8Å; M394-A399 PolarHBondContact O-N 3.17Å; M394-A399 VanDerWaalsContact O-N 3.14Å; L397-A399 HydrophobicContact CB-CB 4.4Å; L397-A399 PolarHBondContact O-N 3.17Å
400G49.4Very low69.7Low27 Ų2789.2 Ų89.228%0.27847%0.474SS..THydrogen-bonded Turntrans136.73.7-178.800000115.9K196 G398K196-G400 WeakPolarHBondContact CE-O 3.29Å; K196-G400 PolarHBondContact NZ-O 3.09Å; G398-G400 PolarHBondContact O-N 2.91Å
401T34.2Very low68.3Low122 Ų12295.2 Ų95.275%0.74850%0.504SS*.  trans-88.8117.9161.423.80000108.4G398G398-T401 PolarHBondContact O-OG1 2.7Å
402P37.5Very low66.5Low113 Ų11398.2 Ų98.273%0.73452%0.523SS*.  trans-60.2137.3160.1-5.220.5000107.3
403K32.1Very low64.4Low281 Ų28196.6 Ų96.6100%1.22252%0.522SS*.  trans-78.10151.5-86.8-168.9176-176.30108.6

Retrieved 403 of 403 residues in 969.1 ms (Link to these results)

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