A0A5K4FEG8_SCHMA Loading...

Ras suppressor protein 1

AlphaFold DB , UniProt , Accession A0A5K4FEG8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 275 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
1M40.7Very low60.2Low201 Ų20185 Ų8599%0.9945%0.454SS*.  0100.90-156.8-165.9-78.700106.6S3 Y36M1-S3 PolarHBondContact O-N 3.02Å; M1-Y36 VanDerWaalsContact O-CE1 3.27Å; M1-Y36 WeakPolarHBondContact O-CE1 3.42Å; M1-Y36 PolarHBondContact O-OH 3.16Å
2I46.6Very low62.2Low42 Ų4281.6 Ų81.622%0.21544%0.439CS..  trans-47.4124.7-173.6-59.8169.2000110.3L6 R10 I13I2-L6 HydrophobicContact CG2-CB 3.18Å; I2-L6 HydrophobicContact CG2-CD1 4.22Å; I2-L6 HydrophobicContact CG2-CG 4.38Å; I2-R10 HydrophobicContact CD1-CG 3.97Å; I2-I13 HydrophobicContact CD1-CD1 4.39Å
3S49.6Very low63.9Low36 Ų3676.2 Ų76.225%0.25241%0.41SS..  trans-59.1154.5-174.583.20000109M1 K5 L6 K7 Y36M1-S3 PolarHBondContact O-N 3.02Å; S3-K5 PolarHBondContact O-N 3.22Å; S3-K5 PolarHBondContact OG-N 2.98Å; S3-L6 PolarHBondContact O-N 3.38Å; S3-K7 PolarHBondContact O-N 3.4Å; S3-Y36 VanDerWaalsContact CA-OH 3.25Å; S3-Y36 WeakPolarHBondContact CA-OH 3.48Å; S3-Y36 VanDerWaalsContact CB-OH 3.22Å; S3-Y36 WeakPolarHBondContact CB-OH 3.36Å; S3-Y36 PolarHBondContact N-OH 2.95Å
4G55.3Low65.5Low59 Ų5976.6 Ų76.661%0.60841%0.408SS*.G310 helixtrans-47.8-32.2175.500000113K7G4-K7 WeakPolarHBondContact O-CB 3.4Å; G4-K7 PolarHBondContact O-N 3.29Å
5K58.2Low67.1Low104 Ų10473.9 Ų73.945%0.45239%0.394SS..G310 helixtrans-69.7-31.1178.7-62.2-175171.7-177.60113.3S3 D30 L31S3-K5 PolarHBondContact O-N 3.22Å; S3-K5 PolarHBondContact OG-N 2.98Å; K5-D30 PolarHBondContact NZ-O 3.33Å; K5-L31 HydrophobicContact CB-CD2 4.28Å; K5-L31 HydrophobicContact CD-CD2 4.39Å
6L60.3Low68.5Low2 Ų269.3 Ų69.31%0.0137%0.369CS..G310 helixtrans-91.3-2.9175.8-83.3-170000114I2 S3 G8 F9 P35 Y36I2-L6 HydrophobicContact CG2-CB 3.18Å; I2-L6 HydrophobicContact CG2-CD1 4.22Å; I2-L6 HydrophobicContact CG2-CG 4.38Å; S3-L6 PolarHBondContact O-N 3.38Å; L6-G8 PolarHBondContact O-N 3.42Å; L6-G8 VanDerWaalsContact O-N 3.13Å; L6-F9 HydrophobicContact CB-CD2 4.3Å; L6-F9 HydrophobicContact CD2-CB 4.26Å; L6-F9 HydrophobicContact CD2-CD2 3.26Å; L6-F9 HydrophobicContact CD2-CE2 3.79Å; L6-F9 HydrophobicContact CD2-CG 3.89Å; L6-F9 HydrophobicContact CG-CD2 4.34Å; L6-F9 WeakPolarHBondContact O-CA 3.3Å; L6-F9 WeakPolarHBondContact O-CB 3.28Å; L6-F9 PolarHBondContact O-N 3.48Å; L6-P35 HydrophobicContact CD1-CB 3.74Å; L6-P35 HydrophobicContact CD1-CG 3.96Å; L6-P35 HydrophobicContact CD2-CG 4.16Å; L6-P35 HydrophobicContact CG-CB 4.1Å; L6-P35 HydrophobicContact CG-CG 4.25Å; L6-Y36 HydrophobicContact CD1-CD2 3.5Å; L6-Y36 HydrophobicContact CD1-CE2 4.29Å; L6-Y36 HydrophobicContact CD1-CG 4.21Å; L6-Y36 HydrophobicContact CG-CD2 4.42Å
7K60.3Low69.7Low124 Ų12471.9 Ų71.954%0.53937%0.373SS..G310 helixtrans-56.7-32.2179.9-80.1-175.5178.7179.30112.9S3 G4 F9 R10S3-K7 PolarHBondContact O-N 3.4Å; G4-K7 WeakPolarHBondContact O-CB 3.4Å; G4-K7 PolarHBondContact O-N 3.29Å; K7-F9 PolarHBondContact O-N 3.19Å; K7-R10 PolarHBondContact O-N 3.03Å
8G62.4Low70.8Confident68 Ų6874.2 Ų74.270%0.70138%0.381SS*.G310 helixtrans-65.1-17.1174.600000114.4L6L6-G8 PolarHBondContact O-N 3.42Å; L6-G8 VanDerWaalsContact O-N 3.13Å
9F70.1Confident71.8Confident17 Ų1771.5 Ų71.58%0.07537%0.374CS..G310 helixtrans-97.6-1-179.6-62-77000113.7L6 K7 K11 T12 I13 L24 E25 A26 K29L6-F9 HydrophobicContact CB-CD2 4.3Å; L6-F9 HydrophobicContact CD2-CB 4.26Å; L6-F9 HydrophobicContact CD2-CD2 3.26Å; L6-F9 HydrophobicContact CD2-CE2 3.79Å; L6-F9 HydrophobicContact CD2-CG 3.89Å; L6-F9 HydrophobicContact CG-CD2 4.34Å; L6-F9 WeakPolarHBondContact O-CA 3.3Å; L6-F9 WeakPolarHBondContact O-CB 3.28Å; L6-F9 PolarHBondContact O-N 3.48Å; K7-F9 PolarHBondContact O-N 3.19Å; F9-K11 PolarHBondContact O-N 3.33Å; F9-T12 PolarHBondContact O-N 2.61Å; F9-T12 VanDerWaalsContact O-N 3.11Å; F9-I13 HydrophobicContact CB-CD1 3.94Å; F9-I13 HydrophobicContact CB-CG1 4.16Å; F9-I13 WeakPolarHBondContact O-CB 3.28Å; F9-I13 VanDerWaalsContact O-CG1 3.26Å; F9-I13 WeakPolarHBondContact O-CG1 3.42Å; F9-I13 PolarHBondContact O-N 3.12Å; F9-L24 HydrophobicContact CB-CD1 4.2Å; F9-L24 HydrophobicContact CD1-CD1 3.91Å; F9-L24 HydrophobicContact CG-CD1 4.33Å; F9-E25 WeakPolarHBondContact CE1-O 3.5Å; F9-E25 WeakPolarHBondContact CZ-O 3.49Å; F9-A26 HydrophobicContact CE1-CB 4.17Å; F9-A26 HydrophobicContact CE2-CB 3.83Å; F9-A26 VanDerWaalsContact CZ-CA 3.48Å; F9-A26 HydrophobicContact CZ-CB 3.55Å; F9-K29 HydrophobicContact CE2-CD 4.3Å; F9-K29 HydrophobicContact CE2-CG 4.07Å; F9-K29 HydrophobicContact CZ-CD 4.31Å; F9-K29 VanDerWaalsContact CZ-CE 3.49Å; F9-K29 HydrophobicContact CZ-CG 4.07Å
10R76.3Confident72.7Confident124 Ų12474.8 Ų74.847%0.46839%0.385SS..Hα-helixtrans-53.8-43.6-177.6-76.2-177.7-178.2-174.5-1.7111.8I2 K7 I13 E14I2-R10 HydrophobicContact CD1-CG 3.97Å; K7-R10 PolarHBondContact O-N 3.03Å; R10-I13 PolarHBondContact O-N 2.84Å; R10-E14 WeakPolarHBondContact O-CG 3.4Å; R10-E14 PolarHBondContact O-N 2.95Å
11K82.2Confident73.6Confident158 Ų15876 Ų7669%0.68739%0.389SS*.Hα-helixtrans-61.9-52.2177.1-170.7-175.6173.1-172.20111.6F9 I13 E14 D15F9-K11 PolarHBondContact O-N 3.33Å; K11-I13 VanDerWaalsContact C-N 3.31Å; K11-I13 PolarHBondContact O-N 2.63Å; K11-E14 CarbonylContact O-C 3.3Å; K11-E14 PolarHBondContact O-N 3.29Å; K11-E14 VanDerWaalsContact O-N 3.11Å; K11-D15 PolarHBondContact O-N 3.34Å
12T84.5Confident76.1Confident44 Ų4470.7 Ų70.727%0.2736%0.361SS..Hα-helixtrans-61.4-38.3179.1-470000112.6F9 E14 D15 V16 L24F9-T12 PolarHBondContact O-N 2.61Å; F9-T12 VanDerWaalsContact O-N 3.11Å; T12-E14 VanDerWaalsContact C-N 3.32Å; T12-E14 PolarHBondContact O-N 3.24Å; T12-D15 PolarHBondContact O-N 3.11Å; T12-V16 HydrophobicContact CG2-CG2 4.44Å; T12-V16 WeakPolarHBondContact O-CB 3.12Å; T12-V16 VanDerWaalsContact O-CG2 3.23Å; T12-V16 WeakPolarHBondContact O-CG2 3.36Å; T12-V16 PolarHBondContact O-N 3.16Å; T12-L24 HydrophobicContact CG2-CD1 3.79Å
13I84.7Confident78.4Confident12 Ų1270 Ų706%0.06236%0.362CS..Hα-helixtrans-62.7-41.7175.9-71.2168.8000110.3I2 F9 R10 K11 R17 L24 L43I2-I13 HydrophobicContact CD1-CD1 4.39Å; F9-I13 HydrophobicContact CB-CD1 3.94Å; F9-I13 HydrophobicContact CB-CG1 4.16Å; F9-I13 WeakPolarHBondContact O-CB 3.28Å; F9-I13 VanDerWaalsContact O-CG1 3.26Å; F9-I13 WeakPolarHBondContact O-CG1 3.42Å; F9-I13 PolarHBondContact O-N 3.12Å; R10-I13 PolarHBondContact O-N 2.84Å; K11-I13 VanDerWaalsContact C-N 3.31Å; K11-I13 PolarHBondContact O-N 2.63Å; I13-R17 VanDerWaalsContact O-CB 3.28Å; I13-R17 WeakPolarHBondContact O-CB 3.49Å; I13-R17 PolarHBondContact O-N 2.87Å; I13-L24 HydrophobicContact CG1-CD1 4.06Å; I13-L24 HydrophobicContact CG1-CD2 4.49Å; I13-L43 HydrophobicContact CG2-CD1 4.42Å; I13-L43 HydrophobicContact CG2-CD2 4.18Å
14E85.7Confident80.5Confident81 Ų8168.5 Ų68.538%0.37935%0.351SS..Hα-helixtrans-70.6-40.1175.1-65.7-52.4115.500112.1R10 K11 T12 V16 R17 E18R10-E14 WeakPolarHBondContact O-CG 3.4Å; R10-E14 PolarHBondContact O-N 2.95Å; K11-E14 CarbonylContact O-C 3.3Å; K11-E14 PolarHBondContact O-N 3.29Å; K11-E14 VanDerWaalsContact O-N 3.11Å; T12-E14 VanDerWaalsContact C-N 3.32Å; T12-E14 PolarHBondContact O-N 3.24Å; E14-V16 VanDerWaalsContact C-N 3.29Å; E14-V16 PolarHBondContact O-N 3.06Å; E14-R17 WeakPolarHBondContact O-CB 3.46Å; E14-R17 PolarHBondContact O-N 2.72Å; E14-R17 VanDerWaalsContact O-N 3.13Å; E14-R17 IonicContact OE1-CZ 3.59Å; E14-R17 IonicContact OE1-NE 2.98Å; E14-R17 PolarHBondContact OE1-NE 3.29Å; E14-R17 IonicContact OE1-NH2 3.38Å; E14-R17 PolarHBondContact OE1-NH2 3.09Å; E14-R17 WeakPolarHBondContact OE2-CD 3.32Å; E14-R17 IonicContact OE2-NE 3.29Å; E14-R17 PolarHBondContact OE2-NE 3.06Å; E14-E18 WeakPolarHBondContact O-CB 3.33Å; E14-E18 WeakPolarHBondContact O-CG 3.35Å; E14-E18 PolarHBondContact O-N 2.82Å
15D89.3Confident82.2Confident37 Ų3770.8 Ų70.820%0.19835%0.346CS..Hα-helixtrans-61.3-38.9174.8-67.8-31.4000111.2K11 T12 G19 K20 E21K11-D15 PolarHBondContact O-N 3.34Å; T12-D15 PolarHBondContact O-N 3.11Å; D15-G19 PolarHBondContact O-N 3.18Å; D15-K20 HydrophobicContact CB-CB 4.3Å; D15-K20 WeakPolarHBondContact O-CB 3.44Å; D15-K20 PolarHBondContact O-N 2.99Å; D15-E21 HydrophobicContact CB-CB 4.08Å; D15-E21 HydrophobicContact CB-CG 3.91Å; D15-E21 PolarHBondContact O-N 2.94Å; D15-E21 VanDerWaalsContact O-N 3.14Å
16V90.1Very high83.7Confident0 Ų065.9 Ų65.90%033%0.325CS..Hα-helixtrans-68.9-42.1172.7176.20000111.1T12 E14 E18 G19 E21 L43 H45 L46T12-V16 HydrophobicContact CG2-CG2 4.44Å; T12-V16 WeakPolarHBondContact O-CB 3.12Å; T12-V16 VanDerWaalsContact O-CG2 3.23Å; T12-V16 WeakPolarHBondContact O-CG2 3.36Å; T12-V16 PolarHBondContact O-N 3.16Å; E14-V16 VanDerWaalsContact C-N 3.29Å; E14-V16 PolarHBondContact O-N 3.06Å; V16-E18 PolarHBondContact O-N 3.27Å; V16-G19 PolarHBondContact O-N 3.12Å; V16-E21 WeakPolarHBondContact CA-O 3.43Å; V16-E21 HydrophobicContact CG2-CB 3.78Å; V16-L43 HydrophobicContact CB-CD1 4.48Å; V16-L43 HydrophobicContact CG1-CB 3.94Å; V16-L43 HydrophobicContact CG1-CD1 4.08Å; V16-L43 HydrophobicContact CG1-CG 4.4Å; V16-H45 HydrophobicContact CG1-CB 4.43Å; V16-H45 WeakPolarHBondContact O-CB 3.2Å; V16-H45 PolarHBondContact O-CD2 3.46Å; V16-L46 HydrophobicContact CG1-CB 4.03Å; V16-L46 HydrophobicContact CG1-CD1 4.28Å
17R88.2Confident85.2Confident114 Ų11468.4 Ų68.443%0.4334%0.338SS..Hα-helixtrans-59.7-37176.4-173-165.6-64-85.9-7.2111.8I13 E14 G19 L43I13-R17 VanDerWaalsContact O-CB 3.28Å; I13-R17 WeakPolarHBondContact O-CB 3.49Å; I13-R17 PolarHBondContact O-N 2.87Å; E14-R17 WeakPolarHBondContact O-CB 3.46Å; E14-R17 PolarHBondContact O-N 2.72Å; E14-R17 VanDerWaalsContact O-N 3.13Å; E14-R17 IonicContact OE1-CZ 3.59Å; E14-R17 IonicContact OE1-NE 2.98Å; E14-R17 PolarHBondContact OE1-NE 3.29Å; E14-R17 IonicContact OE1-NH2 3.38Å; E14-R17 PolarHBondContact OE1-NH2 3.09Å; E14-R17 WeakPolarHBondContact OE2-CD 3.32Å; E14-R17 IonicContact OE2-NE 3.29Å; E14-R17 PolarHBondContact OE2-NE 3.06Å; R17-G19 VanDerWaalsContact C-N 3.29Å; R17-L43 HydrophobicContact CB-CD2 3.94Å
18E89.7Confident86.7Confident113 Ų11370.5 Ų70.553%0.52834%0.342SS..THydrogen-bonded Turntrans-83.2-1.9177.3-67.7179.418000113.4E14 V16 K20E14-E18 WeakPolarHBondContact O-CB 3.33Å; E14-E18 WeakPolarHBondContact O-CG 3.35Å; E14-E18 PolarHBondContact O-N 2.82Å; V16-E18 PolarHBondContact O-N 3.27Å; E18-K20 HydrophobicContact CB-CD 4.33Å; E18-K20 HydrophobicContact CB-CG 4.27Å; E18-K20 PolarHBondContact O-N 2.91Å; E18-K20 WeakPolarHBondContact OE2-CE 3.27Å; E18-K20 IonicContact OE2-NZ 2.91Å; E18-K20 PolarHBondContact OE2-NZ 2.8Å
19G89.4Confident88Confident23 Ų2371.6 Ų71.624%0.23733%0.328CS..THydrogen-bonded Turntrans71.314.3-179.200000114.6D15 V16 R17 H45D15-G19 PolarHBondContact O-N 3.18Å; V16-G19 PolarHBondContact O-N 3.12Å; R17-G19 VanDerWaalsContact C-N 3.29Å; G19-H45 VanDerWaalsContact CA-CD2 3.4Å; G19-H45 WeakPolarHBondContact CA-CD2 3.48Å; G19-H45 PolarHBondContact N-CD2 3.07Å
20K90.8Very high89Confident137 Ų13774.8 Ų74.860%0.59635%0.345SS*.SBendtrans-76.9-27.1173.6-66.4174176.4165.20112.1D15 E18D15-K20 HydrophobicContact CB-CB 4.3Å; D15-K20 WeakPolarHBondContact O-CB 3.44Å; D15-K20 PolarHBondContact O-N 2.99Å; E18-K20 HydrophobicContact CB-CD 4.33Å; E18-K20 HydrophobicContact CB-CG 4.27Å; E18-K20 PolarHBondContact O-N 2.91Å; E18-K20 WeakPolarHBondContact OE2-CE 3.27Å; E18-K20 IonicContact OE2-NZ 2.91Å; E18-K20 PolarHBondContact OE2-NZ 2.8Å
21E91.7Very high89.7Confident99 Ų9969.2 Ų69.246%0.46333%0.325SS..  trans-128.4154.5175.5-76.1-65.8172.600110.6D15 V16D15-E21 HydrophobicContact CB-CB 4.08Å; D15-E21 HydrophobicContact CB-CG 3.91Å; D15-E21 PolarHBondContact O-N 2.94Å; D15-E21 VanDerWaalsContact O-N 3.14Å; V16-E21 WeakPolarHBondContact CA-O 3.43Å; V16-E21 HydrophobicContact CG2-CB 3.78Å
22H93.7Very high90.2Very high91 Ų9165.8 Ų65.842%0.42132%0.317SS..  trans-122.51.5177.7-59.9-51000112.7H45 R47 S48H22-H45 WeakPolarHBondContact CA-O 3.29Å; H22-H45 PolarHBondContact ND1-O 3.36Å; H22-H45 VanDerWaalsContact ND1-O 3.07Å; H22-R47 HydrophobicContact CB-CB 4.15Å; H22-R47 HydrophobicContact CB-CG 3.97Å; H22-R47 PolarHBondContact O-N 3.38Å; H22-S48 PolarHBondContact O-N 3.39Å
23A94.3Very high90.5Very high28 Ų2866.6 Ų66.623%0.23133%0.325CS..EExtended strand (participates in β ladder)trans-123.9141.6-175.400000111.4S48A23-S48 CarbonylContact C-O 3.6Å; A23-S48 VanDerWaalsContact CA-O 3.31Å; A23-S48 WeakPolarHBondContact CA-O 3.27Å
24L92.4Very high90.8Very high3 Ų366.4 Ų66.42%0.01632%0.324CS..EExtended strand (participates in β ladder)trans-126.4125170.1-17569.5000109.5F9 T12 I13 L40 L46 S48 L49 T50F9-L24 HydrophobicContact CB-CD1 4.2Å; F9-L24 HydrophobicContact CD1-CD1 3.91Å; F9-L24 HydrophobicContact CG-CD1 4.33Å; T12-L24 HydrophobicContact CG2-CD1 3.79Å; I13-L24 HydrophobicContact CG1-CD1 4.06Å; I13-L24 HydrophobicContact CG1-CD2 4.49Å; L24-L40 HydrophobicContact CD2-CD2 3.36Å; L24-L46 HydrophobicContact CB-CD1 3.71Å; L24-S48 PolarHBondContact N-O 3.07Å; L24-L49 HydrophobicContact CB-CD1 4.17Å; L24-L49 HydrophobicContact CD2-CD1 4.1Å; L24-L49 HydrophobicContact CG-CD1 4.35Å; L24-L49 WeakPolarHBondContact O-CA 3.35Å; L24-T50 PolarHBondContact O-N 3.13Å
25E92Very high90.4Very high108 Ų10863 Ų6351%0.50531%0.309SS..EExtended strand (participates in β ladder)trans-126.4102.4-173.1-57.3-166.4157.300113.1F9 T50F9-E25 WeakPolarHBondContact CE1-O 3.5Å; F9-E25 WeakPolarHBondContact CZ-O 3.49Å; E25-T50 CarbonylContact C-O 3.31Å; E25-T50 WeakPolarHBondContact CA-O 3.45Å
26A90.2Very high89.9Confident1 Ų164.5 Ų64.51%0.00831%0.312CS..  trans-10573.7173.800000112.4F9 K29 L31 T50 L51 N54F9-A26 HydrophobicContact CE1-CB 4.17Å; F9-A26 HydrophobicContact CE2-CB 3.83Å; F9-A26 VanDerWaalsContact CZ-CA 3.48Å; F9-A26 HydrophobicContact CZ-CB 3.55Å; A26-K29 HydrophobicContact CB-CG 4.05Å; A26-L31 HydrophobicContact CB-CD1 3.82Å; A26-T50 PolarHBondContact N-O 2.87Å; A26-L51 HydrophobicContact CB-CD2 3.68Å; A26-N54 PolarHBondContact O-ND2 3.19Å
27I91.7Very high89.4Confident55 Ų5565 Ų6528%0.28232%0.315SS..  trans-86.8134.3-179.1-54.3177000111K29 T50 S52 H53I27-K29 PolarHBondContact O-N 2.97Å; I27-T50 HydrophobicContact CD1-CG2 3.97Å; I27-T50 HydrophobicContact CG1-CG2 3.86Å; I27-S52 WeakPolarHBondContact CA-O 3.36Å; I27-H53 HydrophobicContact CG2-CB 4.36Å
28R91.4Very high89.2Confident168 Ų16863.6 Ų63.663%0.63432%0.32SS*.SBendtrans53.551.7177.6-65.3179.1-174.295.73.9113.5S52 H53R28-S52 PolarHBondContact N-O 2.83Å; R28-H53 VanDerWaalsContact CA-O 3.26Å; R28-H53 WeakPolarHBondContact CA-O 3.4Å; R28-H53 HydrophobicContact CG-CB 3.52Å; R28-H53 PolarHBondContact N-O 3.23Å
29K90Very high88.8Confident90 Ų9061.4 Ų61.439%0.39131%0.31SS..SBendtrans-110.89.6-178.2-63.2-55.1-174.9-170.90113.9F9 A26 I27 L31 N54F9-K29 HydrophobicContact CE2-CD 4.3Å; F9-K29 HydrophobicContact CE2-CG 4.07Å; F9-K29 HydrophobicContact CZ-CD 4.31Å; F9-K29 VanDerWaalsContact CZ-CE 3.49Å; F9-K29 HydrophobicContact CZ-CG 4.07Å; A26-K29 HydrophobicContact CB-CG 4.05Å; I27-K29 PolarHBondContact O-N 2.97Å; K29-L31 HydrophobicContact CB-CD1 4.34Å; K29-L31 HydrophobicContact CB-CD2 4.34Å; K29-L31 HydrophobicContact CB-CG 3.91Å; K29-L31 PolarHBondContact O-N 3.2Å; K29-N54 WeakPolarHBondContact CA-OD1 3.35Å; K29-N54 PolarHBondContact N-OD1 3.23Å
30D90.3Very high88.7Confident84 Ų8460.5 Ų60.545%0.44930%0.3SS..  trans51.637.2-175.4-66.7-69.3000112.4K5 N54 K55K5-D30 PolarHBondContact NZ-O 3.33Å; D30-N54 PolarHBondContact N-OD1 3.14Å; D30-N54 VanDerWaalsContact N-OD1 3.15Å; D30-K55 WeakPolarHBondContact OD1-CE 3.32Å; D30-K55 IonicContact OD1-NZ 3.6Å; D30-K55 PolarHBondContact OD1-NZ 3.22Å
31L91.1Very high88.4Confident7 Ų755.6 Ų55.64%0.03729%0.285CS..  trans-72130.8175.9-60174.1000109.2K5 A26 K29 P35 L51 N54 K55 I56K5-L31 HydrophobicContact CB-CD2 4.28Å; K5-L31 HydrophobicContact CD-CD2 4.39Å; A26-L31 HydrophobicContact CB-CD1 3.82Å; K29-L31 HydrophobicContact CB-CD1 4.34Å; K29-L31 HydrophobicContact CB-CD2 4.34Å; K29-L31 HydrophobicContact CB-CG 3.91Å; K29-L31 PolarHBondContact O-N 3.2Å; L31-P35 HydrophobicContact CD1-CG 3.95Å; L31-P35 HydrophobicContact CD2-CB 4.38Å; L31-L51 HydrophobicContact CD1-CD2 3.99Å; L31-N54 HydrophobicContact CB-CB 3.99Å; L31-N54 PolarHBondContact N-OD1 3.3Å; L31-N54 VanDerWaalsContact N-OD1 3.09Å; L31-K55 CarbonylContact O-C 3.46Å; L31-K55 VanDerWaalsContact O-CA 3.25Å; L31-K55 WeakPolarHBondContact O-CA 3.33Å; L31-K55 PolarHBondContact O-N 2.83Å; L31-I56 HydrophobicContact CB-CD1 4.5Å; L31-I56 HydrophobicContact CB-CG1 4.21Å; L31-I56 PolarHBondContact O-N 3.49Å; L31-I56 VanDerWaalsContact O-N 3.15Å
32T92.2Very high88.2Confident86 Ų8657.4 Ų57.453%0.52829%0.291SS..SBendtrans-98.1-10.8176.153.60000112.5K55 T57T32-K55 WeakPolarHBondContact CA-O 3.47Å; T32-K55 HydrophobicContact CG2-CB 4.42Å; T32-T57 PolarHBondContact O-N 2.94Å
33S92.5Very high87.9Confident61 Ų6153.2 Ų53.243%0.42727%0.272SS..SBendtrans-147.5162.217767.10000109.9P35S33-P35 WeakPolarHBondContact O-CD 3.47Å
34I89.4Confident87.7Confident8 Ų857.2 Ų57.24%0.04129%0.289CS..  trans-65.2119.9170.8-63.7179.3000107.6I37 L51 I56 I59 V63 L74I34-I37 HydrophobicContact CB-CD1 4.07Å; I34-I37 HydrophobicContact CB-CG1 4.27Å; I34-I37 HydrophobicContact CG2-CD1 3.91Å; I34-I37 HydrophobicContact CG2-CG1 3.65Å; I34-L51 HydrophobicContact CB-CD1 4.24Å; I34-L51 HydrophobicContact CG1-CD1 3.91Å; I34-L51 HydrophobicContact CG2-CD1 3.88Å; I34-I56 HydrophobicContact CG1-CD1 4.13Å; I34-I56 HydrophobicContact CG1-CG2 4.07Å; I34-I59 HydrophobicContact CD1-CG2 4.22Å; I34-V63 HydrophobicContact CD1-CG2 3.49Å; I34-V63 VanDerWaalsContact CD1-CG2 3.49Å; I34-V63 HydrophobicContact CG2-CG2 4.31Å; I34-L74 HydrophobicContact CD1-CD1 4.29Å; I34-L74 HydrophobicContact CD1-CD2 4.21Å; I34-L74 HydrophobicContact CG1-CD2 4.33Å
35P78.9Confident87.6Confident9 Ų960.6 Ų60.66%0.05831%0.305CS..THydrogen-bonded Turntrans-84.8139.2-161.836.1-38.3000111.2L6 L31 S33 I37 L40 L51L6-P35 HydrophobicContact CD1-CB 3.74Å; L6-P35 HydrophobicContact CD1-CG 3.96Å; L6-P35 HydrophobicContact CD2-CG 4.16Å; L6-P35 HydrophobicContact CG-CB 4.1Å; L6-P35 HydrophobicContact CG-CG 4.25Å; L31-P35 HydrophobicContact CD1-CG 3.95Å; L31-P35 HydrophobicContact CD2-CB 4.38Å; S33-P35 WeakPolarHBondContact O-CD 3.47Å; P35-I37 VanDerWaalsContact C-N 3.27Å; P35-I37 PolarHBondContact O-N 3.47Å; P35-I37 VanDerWaalsContact O-N 3.12Å; P35-L40 VanDerWaalsContact O-CD1 3.24Å; P35-L40 WeakPolarHBondContact O-CD1 3.28Å; P35-L51 HydrophobicContact CG-CD2 4.44Å
36Y77.5Confident87.8Confident70 Ų7055.5 Ų55.528%0.27528%0.281SS..THydrogen-bonded Turntrans48.745.1166.1-66.7-87.8000114.1M1 S3 L6 P38 E39 L40M1-Y36 VanDerWaalsContact O-CE1 3.27Å; M1-Y36 WeakPolarHBondContact O-CE1 3.42Å; M1-Y36 PolarHBondContact O-OH 3.16Å; S3-Y36 VanDerWaalsContact CA-OH 3.25Å; S3-Y36 WeakPolarHBondContact CA-OH 3.48Å; S3-Y36 VanDerWaalsContact CB-OH 3.22Å; S3-Y36 WeakPolarHBondContact CB-OH 3.36Å; S3-Y36 PolarHBondContact N-OH 2.95Å; L6-Y36 HydrophobicContact CD1-CD2 3.5Å; L6-Y36 HydrophobicContact CD1-CE2 4.29Å; L6-Y36 HydrophobicContact CD1-CG 4.21Å; L6-Y36 HydrophobicContact CG-CD2 4.42Å; Y36-P38 VanDerWaalsContact C-N 3.25Å; Y36-E39 WeakPolarHBondContact CB-OE2 3.49Å; Y36-E39 WeakPolarHBondContact CD1-OE1 3.13Å; Y36-E39 WeakPolarHBondContact CD1-OE2 3.4Å; Y36-E39 WeakPolarHBondContact O-CA 3.47Å; Y36-E39 PolarHBondContact O-N 2.96Å; Y36-L40 PolarHBondContact O-N 3Å
37I80.7Confident88.1Confident10 Ų1059.2 Ų59.25%0.05130%0.295CS..Hα-helixtrans-51.2-40.9-179.7-61167.8000112.4I34 P35 E39 L40 A41 P60 E62 V63 T65I34-I37 HydrophobicContact CB-CD1 4.07Å; I34-I37 HydrophobicContact CB-CG1 4.27Å; I34-I37 HydrophobicContact CG2-CD1 3.91Å; I34-I37 HydrophobicContact CG2-CG1 3.65Å; P35-I37 VanDerWaalsContact C-N 3.27Å; P35-I37 PolarHBondContact O-N 3.47Å; P35-I37 VanDerWaalsContact O-N 3.12Å; I37-E39 VanDerWaalsContact C-N 3.27Å; I37-E39 PolarHBondContact O-N 2.97Å; I37-L40 PolarHBondContact O-N 2.92Å; I37-A41 VanDerWaalsContact O-CB 3.28Å; I37-A41 WeakPolarHBondContact O-CB 3.41Å; I37-A41 PolarHBondContact O-N 2.7Å; I37-P60 HydrophobicContact CD1-CG 3.53Å; I37-E62 HydrophobicContact CB-CB 4.02Å; I37-E62 HydrophobicContact CD1-CB 3.67Å; I37-E62 HydrophobicContact CG1-CB 4.45Å; I37-E62 HydrophobicContact CG2-CB 3.67Å; I37-E62 WeakPolarHBondContact CG2-O 3.33Å; I37-V63 HydrophobicContact CD1-CG2 3.91Å; I37-T65 WeakPolarHBondContact CG2-OG1 3.41Å
38P82.2Confident88.3Confident84 Ų8457.8 Ų57.855%0.54529%0.29SS..Hα-helixtrans-60.1-31.7175.4-25.736.2000114.8Y36 K42Y36-P38 VanDerWaalsContact C-N 3.25Å; P38-K42 WeakPolarHBondContact O-CG 3.43Å
39E83.2Confident88.6Confident67 Ų6749.9 Ų49.931%0.31326%0.26SS..Hα-helixtrans-79.9-38.3174.5-69.586.8159.800112.1Y36 I37 A41 K42Y36-E39 WeakPolarHBondContact CB-OE2 3.49Å; Y36-E39 WeakPolarHBondContact CD1-OE1 3.13Å; Y36-E39 WeakPolarHBondContact CD1-OE2 3.4Å; Y36-E39 WeakPolarHBondContact O-CA 3.47Å; Y36-E39 PolarHBondContact O-N 2.96Å; I37-E39 VanDerWaalsContact C-N 3.27Å; I37-E39 PolarHBondContact O-N 2.97Å; E39-A41 VanDerWaalsContact C-N 3.27Å; E39-A41 PolarHBondContact O-N 2.87Å; E39-K42 PolarHBondContact O-N 3.13Å
40L85.6Confident88.9Confident4 Ų446.2 Ų46.22%0.02125%0.245CC..Hα-helixtrans-64.6-34.6174.2-63.3-176.8000111.7L24 P35 Y36 I37 K42 L43 L49 L66L24-L40 HydrophobicContact CD2-CD2 3.36Å; P35-L40 VanDerWaalsContact O-CD1 3.24Å; P35-L40 WeakPolarHBondContact O-CD1 3.28Å; Y36-L40 PolarHBondContact O-N 3Å; I37-L40 PolarHBondContact O-N 2.92Å; L40-K42 PolarHBondContact O-N 3.11Å; L40-K42 VanDerWaalsContact O-N 3.16Å; L40-L43 HydrophobicContact CD2-CD1 3.92Å; L40-L43 VanDerWaalsContact O-CB 3.29Å; L40-L43 WeakPolarHBondContact O-CB 3.33Å; L40-L43 PolarHBondContact O-N 3.04Å; L40-L49 HydrophobicContact CD1-CD2 4.25Å; L40-L66 HydrophobicContact CB-CD2 3.6Å
41A85Confident89.1Confident34 Ų3442.2 Ų42.228%0.28122%0.224SC..THydrogen-bonded Turntrans-62.4-18.3176.100000113.7I37 E39 L43 T65I37-A41 VanDerWaalsContact O-CB 3.28Å; I37-A41 WeakPolarHBondContact O-CB 3.41Å; I37-A41 PolarHBondContact O-N 2.7Å; E39-A41 VanDerWaalsContact C-N 3.27Å; E39-A41 PolarHBondContact O-N 2.87Å; A41-L43 VanDerWaalsContact C-N 3.33Å; A41-T65 VanDerWaalsContact CB-OG1 3.3Å; A41-T65 WeakPolarHBondContact CB-OG1 3.22Å
42K86.9Confident89.4Confident138 Ų13842.3 Ų42.360%0.623%0.225SC*.THydrogen-bonded Turntrans-89.80.5176.8-61.9175.7-175.9-177.90112.8P38 E39 L40 D44P38-K42 WeakPolarHBondContact O-CG 3.43Å; E39-K42 PolarHBondContact O-N 3.13Å; L40-K42 PolarHBondContact O-N 3.11Å; L40-K42 VanDerWaalsContact O-N 3.16Å; K42-D44 PolarHBondContact O-N 3.48Å
43L88.1Confident89.5Confident2 Ų241 Ų411%0.0121%0.213CC..  trans-94.183.1-179-59.1-178.1000109.4I13 V16 R17 L40 A41 H45 L46I13-L43 HydrophobicContact CG2-CD1 4.42Å; I13-L43 HydrophobicContact CG2-CD2 4.18Å; V16-L43 HydrophobicContact CB-CD1 4.48Å; V16-L43 HydrophobicContact CG1-CB 3.94Å; V16-L43 HydrophobicContact CG1-CD1 4.08Å; V16-L43 HydrophobicContact CG1-CG 4.4Å; R17-L43 HydrophobicContact CB-CD2 3.94Å; L40-L43 HydrophobicContact CD2-CD1 3.92Å; L40-L43 VanDerWaalsContact O-CB 3.29Å; L40-L43 WeakPolarHBondContact O-CB 3.33Å; L40-L43 PolarHBondContact O-N 3.04Å; A41-L43 VanDerWaalsContact C-N 3.33Å; L43-H45 PolarHBondContact O-N 2.81Å; L43-L46 HydrophobicContact CB-CB 3.86Å; L43-L46 WeakPolarHBondContact O-CB 3.15Å; L43-L46 PolarHBondContact O-N 3.14Å
44D89.2Confident89.6Confident113 Ų11338.4 Ų38.460%0.60419%0.194SC*.THydrogen-bonded Turntrans-61.5-12.6-176.3-60.3-30.8000114.1K42 T68K42-D44 PolarHBondContact O-N 3.48Å; D44-T68 VanDerWaalsContact O-CG2 3.27Å; D44-T68 WeakPolarHBondContact O-CG2 3.41Å
45H91.9Very high89.9Confident73 Ų7342.4 Ų42.434%0.33821%0.211SC..THydrogen-bonded Turntrans-104.60.1178.3-58.9-65.1000113.7V16 G19 H22 L43 R47V16-H45 HydrophobicContact CG1-CB 4.43Å; V16-H45 WeakPolarHBondContact O-CB 3.2Å; V16-H45 PolarHBondContact O-CD2 3.46Å; G19-H45 VanDerWaalsContact CA-CD2 3.4Å; G19-H45 WeakPolarHBondContact CA-CD2 3.48Å; G19-H45 PolarHBondContact N-CD2 3.07Å; H22-H45 WeakPolarHBondContact CA-O 3.29Å; H22-H45 PolarHBondContact ND1-O 3.36Å; H22-H45 VanDerWaalsContact ND1-O 3.07Å; L43-H45 PolarHBondContact O-N 2.81Å; H45-R47 PolarHBondContact O-N 2.83Å
46L94.8Very high90.7Very high1 Ų142 Ų421%0.00521%0.209CC..  trans-72.7109.3-178.9-17667.2000110.4V16 L24 L43 S48 T68 L69V16-L46 HydrophobicContact CG1-CB 4.03Å; V16-L46 HydrophobicContact CG1-CD1 4.28Å; L24-L46 HydrophobicContact CB-CD1 3.71Å; L43-L46 HydrophobicContact CB-CB 3.86Å; L43-L46 WeakPolarHBondContact O-CB 3.15Å; L43-L46 PolarHBondContact O-N 3.14Å; L46-S48 WeakPolarHBondContact CD1-O 3.32Å; L46-T68 CarbonylContact O-C 3.26Å; L46-T68 VanDerWaalsContact O-C 3.3Å; L46-T68 WeakPolarHBondContact O-CB 3.42Å; L46-T68 PolarHBondContact O-OG1 3.34Å; L46-L69 HydrophobicContact CD2-CD1 4.42Å; L46-L69 HydrophobicContact CG-CD1 4.19Å
47R96.8Very high91.6Very high79 Ų7941.8 Ų41.830%0.29822%0.215SC..  trans-105.5-29.4176.8-56.4-56.1179.1-168-6.9112.7H22 H45 T68 E70 H71H22-R47 HydrophobicContact CB-CB 4.15Å; H22-R47 HydrophobicContact CB-CG 3.97Å; H22-R47 PolarHBondContact O-N 3.38Å; H45-R47 PolarHBondContact O-N 2.83Å; R47-T68 WeakPolarHBondContact CD-O 3.48Å; R47-T68 VanDerWaalsContact NH1-CA 3.33Å; R47-T68 PolarHBondContact NH1-O 2.84Å; R47-E70 HydrophobicContact CB-CG 4.44Å; R47-E70 IonicContact NE-OE1 2.63Å; R47-E70 WeakPolarHBondContact O-CA 3.46Å; R47-E70 PolarHBondContact O-N 3.11Å; R47-H71 PolarHBondContact O-N 3.04Å
48S97.3Very high92.4Very high26 Ų2645.5 Ų45.518%0.18223%0.232CC..EExtended strand (participates in β ladder)trans-128.7128.3-177.9-174.90000111.6H22 A23 L24 L46 H71H22-S48 PolarHBondContact O-N 3.39Å; A23-S48 CarbonylContact C-O 3.6Å; A23-S48 VanDerWaalsContact CA-O 3.31Å; A23-S48 WeakPolarHBondContact CA-O 3.27Å; L24-S48 PolarHBondContact N-O 3.07Å; L46-S48 WeakPolarHBondContact CD1-O 3.32Å; S48-H71 WeakPolarHBondContact CA-O 3.11Å
49L95.9Very high93.1Very high1 Ų141.5 Ų41.51%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-125.4111.317617959.8000109.5L24 L40 L51 L66 L69 H71 L72 N73L24-L49 HydrophobicContact CB-CD1 4.17Å; L24-L49 HydrophobicContact CD2-CD1 4.1Å; L24-L49 HydrophobicContact CG-CD1 4.35Å; L24-L49 WeakPolarHBondContact O-CA 3.35Å; L40-L49 HydrophobicContact CD1-CD2 4.25Å; L49-L51 HydrophobicContact CD1-CD1 4.35Å; L49-L51 HydrophobicContact CD1-CD2 3.94Å; L49-L51 HydrophobicContact CD1-CG 4Å; L49-L51 HydrophobicContact CD2-CD1 4.12Å; L49-L51 HydrophobicContact CG-CD1 4.17Å; L49-L51 HydrophobicContact CG-CG 4.02Å; L49-L66 HydrophobicContact CD2-CD1 3.76Å; L49-L69 HydrophobicContact CB-CD1 3.63Å; L49-L69 HydrophobicContact CB-CD2 4.34Å; L49-H71 PolarHBondContact N-O 3.19Å; L49-L72 HydrophobicContact CB-CD1 4.18Å; L49-L72 HydrophobicContact CD2-CD1 4.07Å; L49-L72 HydrophobicContact CG-CD1 4.16Å; L49-N73 PolarHBondContact O-N 3.48Å
50T96.4Very high93.7Very high13 Ų1339.4 Ų39.48%0.0820%0.198CC..EExtended strand (participates in β ladder)trans-109.3117.2176.6-61.80000110L24 E25 A26 I27 N73L24-T50 PolarHBondContact O-N 3.13Å; E25-T50 CarbonylContact C-O 3.31Å; E25-T50 WeakPolarHBondContact CA-O 3.45Å; A26-T50 PolarHBondContact N-O 2.87Å; I27-T50 HydrophobicContact CD1-CG2 3.97Å; I27-T50 HydrophobicContact CG1-CG2 3.86Å; T50-N73 HydrophobicContact CG2-CB 4.11Å
51L95.8Very high94.2Very high1 Ų143.4 Ų43.41%0.00522%0.217CC..  trans-124.133.6177.8-59.2177.2000110.7A26 L31 I34 P35 L49 N54 I56 N73 L74 N77A26-L51 HydrophobicContact CB-CD2 3.68Å; L31-L51 HydrophobicContact CD1-CD2 3.99Å; I34-L51 HydrophobicContact CB-CD1 4.24Å; I34-L51 HydrophobicContact CG1-CD1 3.91Å; I34-L51 HydrophobicContact CG2-CD1 3.88Å; P35-L51 HydrophobicContact CG-CD2 4.44Å; L49-L51 HydrophobicContact CD1-CD1 4.35Å; L49-L51 HydrophobicContact CD1-CD2 3.94Å; L49-L51 HydrophobicContact CD1-CG 4Å; L49-L51 HydrophobicContact CD2-CD1 4.12Å; L49-L51 HydrophobicContact CG-CD1 4.17Å; L49-L51 HydrophobicContact CG-CG 4.02Å; L51-N54 VanDerWaalsContact C-ND2 3.28Å; L51-N54 PolarHBondContact O-ND2 3.11Å; L51-I56 HydrophobicContact CB-CD1 3.77Å; L51-I56 HydrophobicContact CD1-CD1 3.9Å; L51-I56 HydrophobicContact CG-CD1 4.43Å; L51-N73 PolarHBondContact N-O 3.15Å; L51-L74 HydrophobicContact CB-CD2 3.88Å; L51-L74 HydrophobicContact CD1-CD2 4.11Å; L51-N77 PolarHBondContact O-ND2 3.32Å
52S96.2Very high94.7Very high9 Ų945.5 Ų45.56%0.06322%0.221CC..  trans-70.6155.4-174.863.60000113.4I27 R28 N54 F75I27-S52 WeakPolarHBondContact CA-O 3.36Å; R28-S52 PolarHBondContact N-O 2.83Å; S52-N54 VanDerWaalsContact C-N 3.35Å; S52-N54 PolarHBondContact O-N 2.91Å; S52-N54 PolarHBondContact O-ND2 3.43Å; S52-F75 CarbonylContact C-O 3.18Å; S52-F75 WeakPolarHBondContact CA-O 3.38Å; S52-F75 VanDerWaalsContact CB-O 3.25Å; S52-F75 WeakPolarHBondContact CB-O 3.34Å
53H95.6Very high95Very high58 Ų5839 Ų3927%0.26919%0.193SC..SBendtrans56.344.6-179.3-59.4-81.9000113.3I27 R28 F75 N76I27-H53 HydrophobicContact CG2-CB 4.36Å; R28-H53 VanDerWaalsContact CA-O 3.26Å; R28-H53 WeakPolarHBondContact CA-O 3.4Å; R28-H53 HydrophobicContact CG-CB 3.52Å; R28-H53 PolarHBondContact N-O 3.23Å; H53-F75 PolarHBondContact N-O 2.85Å; H53-N76 CarbonylContact C-O 3.28Å; H53-N76 WeakPolarHBondContact CA-O 3.31Å; H53-N76 PolarHBondContact CE1-ND2 2.85Å; H53-N76 VanDerWaalsContact CE1-ND2 3.3Å; H53-N76 PolarHBondContact N-O 3.43Å; H53-N76 VanDerWaalsContact N-O 3.15Å; H53-N76 PolarHBondContact ND1-ND2 3.13Å
54N94.3Very high95.3Very high6 Ų639.6 Ų39.63%0.03220%0.197CC..SBendtrans-114.6-164.9172.3-74.3-69.2000110.2A26 K29 D30 L31 L51 S52 I56 N76 N77A26-N54 PolarHBondContact O-ND2 3.19Å; K29-N54 WeakPolarHBondContact CA-OD1 3.35Å; K29-N54 PolarHBondContact N-OD1 3.23Å; D30-N54 PolarHBondContact N-OD1 3.14Å; D30-N54 VanDerWaalsContact N-OD1 3.15Å; L31-N54 HydrophobicContact CB-CB 3.99Å; L31-N54 PolarHBondContact N-OD1 3.3Å; L31-N54 VanDerWaalsContact N-OD1 3.09Å; L51-N54 VanDerWaalsContact C-ND2 3.28Å; L51-N54 PolarHBondContact O-ND2 3.11Å; S52-N54 VanDerWaalsContact C-N 3.35Å; S52-N54 PolarHBondContact O-N 2.91Å; S52-N54 PolarHBondContact O-ND2 3.43Å; N54-I56 HydrophobicContact CB-CD1 4.33Å; N54-I56 HydrophobicContact CB-CG1 4.12Å; N54-N76 PolarHBondContact N-O 3.42Å; N54-N77 VanDerWaalsContact CA-OD1 3.29Å; N54-N77 WeakPolarHBondContact CA-OD1 3.31Å; N54-N77 WeakPolarHBondContact CB-OD1 3.36Å; N54-N77 PolarHBondContact N-OD1 3.48Å; N54-N77 PolarHBondContact O-OD1 2.79Å
55K95Very high95.6Very high93 Ų9337.1 Ų37.140%0.40419%0.186SC..  trans-119.129.8179.8-64.1172.8174.9151.80110.5D30 L31 T32 T57 N77D30-K55 WeakPolarHBondContact OD1-CE 3.32Å; D30-K55 IonicContact OD1-NZ 3.6Å; D30-K55 PolarHBondContact OD1-NZ 3.22Å; L31-K55 CarbonylContact O-C 3.46Å; L31-K55 VanDerWaalsContact O-CA 3.25Å; L31-K55 WeakPolarHBondContact O-CA 3.33Å; L31-K55 PolarHBondContact O-N 2.83Å; T32-K55 WeakPolarHBondContact CA-O 3.47Å; T32-K55 HydrophobicContact CG2-CB 4.42Å; K55-T57 PolarHBondContact O-N 3.32Å; K55-N77 PolarHBondContact N-OD1 2.95Å
56I96.1Very high95.7Very high0 Ų033.8 Ų33.80%017%0.171CC..  trans-66.3129.1-177.6-62.3171.3000108.4L31 I34 L51 N54 E58 L74 N77 C78 I79L31-I56 HydrophobicContact CB-CD1 4.5Å; L31-I56 HydrophobicContact CB-CG1 4.21Å; L31-I56 PolarHBondContact O-N 3.49Å; L31-I56 VanDerWaalsContact O-N 3.15Å; I34-I56 HydrophobicContact CG1-CD1 4.13Å; I34-I56 HydrophobicContact CG1-CG2 4.07Å; L51-I56 HydrophobicContact CB-CD1 3.77Å; L51-I56 HydrophobicContact CD1-CD1 3.9Å; L51-I56 HydrophobicContact CG-CD1 4.43Å; N54-I56 HydrophobicContact CB-CD1 4.33Å; N54-I56 HydrophobicContact CB-CG1 4.12Å; I56-E58 VanDerWaalsContact CG2-O 3.22Å; I56-E58 WeakPolarHBondContact CG2-O 3.49Å; I56-L74 HydrophobicContact CD1-CD2 3.79Å; I56-N77 HydrophobicContact CB-CB 4.27Å; I56-N77 VanDerWaalsContact CB-OD1 3.31Å; I56-N77 WeakPolarHBondContact CB-OD1 3.34Å; I56-N77 WeakPolarHBondContact CG1-OD1 3.42Å; I56-N77 PolarHBondContact N-OD1 3.09Å; I56-C78 CarbonylContact O-C 3.28Å; I56-C78 VanDerWaalsContact O-CA 3.28Å; I56-C78 WeakPolarHBondContact O-CA 3.25Å; I56-C78 PolarHBondContact O-N 3.12Å; I56-I79 HydrophobicContact CG2-CG1 4.2Å; I56-I79 WeakPolarHBondContact O-CG1 3.22Å; I56-I79 PolarHBondContact O-N 3.21Å; I56-I79 VanDerWaalsContact O-N 3.11Å
57T96.2Very high95.6Very high66 Ų6638 Ų3841%0.40519%0.19SC..  trans-100-17.8-17455.20000114T32 K55 C78 I79 V80T32-T57 PolarHBondContact O-N 2.94Å; K55-T57 PolarHBondContact O-N 3.32Å; T57-C78 WeakPolarHBondContact CA-O 3.25Å; T57-C78 HydrophobicContact CG2-CB 4.33Å; T57-I79 WeakPolarHBondContact O-CA 3.32Å; T57-V80 WeakPolarHBondContact O-CG2 3.21Å; T57-V80 PolarHBondContact O-N 2.88Å
58E97.2Very high95.5Very high87 Ų8735.6 Ų35.641%0.40718%0.184SC..EExtended strand (participates in β ladder)trans-152.8159-17764.5-177.3-153.500111.8I56 D81I56-E58 VanDerWaalsContact CG2-O 3.22Å; I56-E58 WeakPolarHBondContact CG2-O 3.49Å; E58-D81 VanDerWaalsContact CA-O 3.29Å; E58-D81 WeakPolarHBondContact CA-O 3.34Å; E58-D81 HydrophobicContact CB-CB 4.39Å
59I97.5Very high95.5Very high1 Ų134.4 Ų34.41%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-102.6101.5163.6-53.6-177.2000107I34 V63 L74 I79 D81 I82 S83 I86 L97I34-I59 HydrophobicContact CD1-CG2 4.22Å; I59-V63 HydrophobicContact CG2-CB 3.97Å; I59-V63 HydrophobicContact CG2-CG1 4.07Å; I59-V63 HydrophobicContact CG2-CG2 3.73Å; I59-L74 HydrophobicContact CD1-CD1 3.47Å; I59-L74 VanDerWaalsContact CD1-CD1 3.47Å; I59-L74 HydrophobicContact CG1-CD1 3.81Å; I59-I79 HydrophobicContact CD1-CD1 4.27Å; I59-I79 HydrophobicContact CG1-CD1 3.98Å; I59-I79 HydrophobicContact CG1-CG2 4.21Å; I59-D81 PolarHBondContact N-O 3Å; I59-I82 HydrophobicContact CB-CG2 4.22Å; I59-I82 HydrophobicContact CD1-CD1 4.35Å; I59-I82 HydrophobicContact CD1-CG1 3.99Å; I59-I82 HydrophobicContact CD1-CG2 4.13Å; I59-I82 HydrophobicContact CG1-CG1 4.3Å; I59-S83 VanDerWaalsContact O-CB 3.25Å; I59-S83 WeakPolarHBondContact O-CB 3.37Å; I59-S83 PolarHBondContact O-N 2.77Å; I59-I86 HydrophobicContact CD1-CD1 3.89Å; I59-I86 HydrophobicContact CG2-CD1 4.16Å; I59-L97 HydrophobicContact CD1-CD2 3.59Å
60P96.5Very high95.6Very high23 Ų2336.6 Ų36.615%0.14919%0.186CC..  trans-76.8163.5-174.737.5-40000110.5I37 E62 V63I37-P60 HydrophobicContact CD1-CG 3.53Å; P60-E62 WeakPolarHBondContact CB-OE2 3.3Å; P60-E62 PolarHBondContact O-N 3.13Å; P60-E62 VanDerWaalsContact O-N 3.12Å; P60-V63 HydrophobicContact CG-CG2 4.26Å; P60-V63 WeakPolarHBondContact O-CB 3.45Å; P60-V63 WeakPolarHBondContact O-CG2 3.22Å; P60-V63 PolarHBondContact O-N 2.85Å; P60-V63 VanDerWaalsContact O-N 3.13Å
61Q95.6Very high95.7Very high88 Ų8839.7 Ų39.741%0.41120%0.199SC..G310 helixtrans-60.3-27.7-17567.3169.6-1200113V63 S64 S83 K85Q61-V63 PolarHBondContact O-N 3.26Å; Q61-V63 VanDerWaalsContact O-N 3.16Å; Q61-S64 VanDerWaalsContact O-CB 3.32Å; Q61-S64 WeakPolarHBondContact O-CB 3.1Å; Q61-S64 PolarHBondContact O-N 3.13Å; Q61-S64 VanDerWaalsContact O-N 3.11Å; Q61-S64 PolarHBondContact O-OG 3.26Å; Q61-S83 VanDerWaalsContact CA-OG 3.25Å; Q61-S83 WeakPolarHBondContact CA-OG 3.28Å; Q61-S83 WeakPolarHBondContact CB-OG 3.25Å; Q61-K85 HydrophobicContact CB-CB 4.45Å; Q61-K85 HydrophobicContact CB-CD 4.08Å; Q61-K85 HydrophobicContact CB-CG 4.36Å
62E94.8Very high95.9Very high78 Ų7839.8 Ų39.836%0.36420%0.2SC..G310 helixtrans-62.7-22.7-177.9-67.569.4-155.300110.8I37 P60 S64 T65I37-E62 HydrophobicContact CB-CB 4.02Å; I37-E62 HydrophobicContact CD1-CB 3.67Å; I37-E62 HydrophobicContact CG1-CB 4.45Å; I37-E62 HydrophobicContact CG2-CB 3.67Å; I37-E62 WeakPolarHBondContact CG2-O 3.33Å; P60-E62 WeakPolarHBondContact CB-OE2 3.3Å; P60-E62 PolarHBondContact O-N 3.13Å; P60-E62 VanDerWaalsContact O-N 3.12Å; E62-S64 PolarHBondContact O-N 3.31Å; E62-T65 WeakPolarHBondContact O-CB 3.4Å; E62-T65 WeakPolarHBondContact O-CG2 3.26Å; E62-T65 PolarHBondContact O-N 2.96Å; E62-T65 PolarHBondContact O-OG1 2.8Å
63V94.6Very high96Very high2 Ų241.5 Ų41.51%0.01221%0.209CC..G310 helixtrans-55-29.3175.2170.30000112I34 I37 I59 P60 Q61 T65 L66 L72 L89I34-V63 HydrophobicContact CD1-CG2 3.49Å; I34-V63 VanDerWaalsContact CD1-CG2 3.49Å; I34-V63 HydrophobicContact CG2-CG2 4.31Å; I37-V63 HydrophobicContact CD1-CG2 3.91Å; I59-V63 HydrophobicContact CG2-CB 3.97Å; I59-V63 HydrophobicContact CG2-CG1 4.07Å; I59-V63 HydrophobicContact CG2-CG2 3.73Å; P60-V63 HydrophobicContact CG-CG2 4.26Å; P60-V63 WeakPolarHBondContact O-CB 3.45Å; P60-V63 WeakPolarHBondContact O-CG2 3.22Å; P60-V63 PolarHBondContact O-N 2.85Å; P60-V63 VanDerWaalsContact O-N 3.13Å; Q61-V63 PolarHBondContact O-N 3.26Å; Q61-V63 VanDerWaalsContact O-N 3.16Å; V63-T65 PolarHBondContact O-N 2.95Å; V63-L66 WeakPolarHBondContact O-CG 3.4Å; V63-L66 PolarHBondContact O-N 2.79Å; V63-L66 VanDerWaalsContact O-N 3.09Å; V63-L72 HydrophobicContact CG1-CD2 4.3Å; V63-L89 HydrophobicContact CG1-CD1 3.99Å; V63-L89 WeakPolarHBondContact O-CD2 3.42Å
64S93.9Very high96.1Very high13 Ų1338.8 Ų38.89%0.09120%0.196CC..G310 helixtrans-55.1-21.4172.560.30000113.9Q61 E62 L66 Q67 K85 E88Q61-S64 VanDerWaalsContact O-CB 3.32Å; Q61-S64 WeakPolarHBondContact O-CB 3.1Å; Q61-S64 PolarHBondContact O-N 3.13Å; Q61-S64 VanDerWaalsContact O-N 3.11Å; Q61-S64 PolarHBondContact O-OG 3.26Å; E62-S64 PolarHBondContact O-N 3.31Å; S64-L66 PolarHBondContact O-N 3.21Å; S64-Q67 PolarHBondContact O-NE2 2.76Å; S64-K85 WeakPolarHBondContact CB-O 3.24Å; S64-E88 WeakPolarHBondContact CB-OE2 3.47Å
65T94.5Very high96.3Very high62 Ų6240.9 Ų40.938%0.3821%0.205SC..G310 helixtrans-73.9-11.5178.965.30000113.6I37 A41 E62 V63 Q67I37-T65 WeakPolarHBondContact CG2-OG1 3.41Å; A41-T65 VanDerWaalsContact CB-OG1 3.3Å; A41-T65 WeakPolarHBondContact CB-OG1 3.22Å; E62-T65 WeakPolarHBondContact O-CB 3.4Å; E62-T65 WeakPolarHBondContact O-CG2 3.26Å; E62-T65 PolarHBondContact O-N 2.96Å; E62-T65 PolarHBondContact O-OG1 2.8Å; V63-T65 PolarHBondContact O-N 2.95Å; T65-Q67 PolarHBondContact O-N 2.77Å
66L94.3Very high96.4Very high3 Ų337.9 Ų37.92%0.01619%0.193CC..  trans-81.458.7-179.8-53.5-178000111.3L40 L49 V63 S64 T68 L69 L89L40-L66 HydrophobicContact CB-CD2 3.6Å; L49-L66 HydrophobicContact CD2-CD1 3.76Å; V63-L66 WeakPolarHBondContact O-CG 3.4Å; V63-L66 PolarHBondContact O-N 2.79Å; V63-L66 VanDerWaalsContact O-N 3.09Å; S64-L66 PolarHBondContact O-N 3.21Å; L66-T68 PolarHBondContact O-N 3.18Å; L66-L69 HydrophobicContact CB-CB 4.08Å; L66-L69 HydrophobicContact CB-CD2 4.36Å; L66-L69 HydrophobicContact CD1-CD2 4.15Å; L66-L69 WeakPolarHBondContact O-CB 3.5Å; L66-L69 PolarHBondContact O-N 2.87Å; L66-L89 HydrophobicContact CB-CD2 4.09Å; L66-L89 WeakPolarHBondContact O-CD2 3.32Å
67Q93.7Very high96.4Very high88 Ų8837.9 Ų37.941%0.41119%0.193SC..THydrogen-bonded Turntrans-62.3-11.7-168.8-70.3-69.3-52.100114.8S64 T65 E88 Y91S64-Q67 PolarHBondContact O-NE2 2.76Å; T65-Q67 PolarHBondContact O-N 2.77Å; Q67-E88 PolarHBondContact NE2-O 2.89Å; Q67-Y91 WeakPolarHBondContact O-CD2 3.47Å
68T94.8Very high96.4Very high29 Ų2935.4 Ų35.418%0.17818%0.179CC..THydrogen-bonded Turntrans-97.5-7.7179.553.80000113.2D44 L46 R47 L66D44-T68 VanDerWaalsContact O-CG2 3.27Å; D44-T68 WeakPolarHBondContact O-CG2 3.41Å; L46-T68 CarbonylContact O-C 3.26Å; L46-T68 VanDerWaalsContact O-C 3.3Å; L46-T68 WeakPolarHBondContact O-CB 3.42Å; L46-T68 PolarHBondContact O-OG1 3.34Å; R47-T68 WeakPolarHBondContact CD-O 3.48Å; R47-T68 VanDerWaalsContact NH1-CA 3.33Å; R47-T68 PolarHBondContact NH1-O 2.84Å; L66-T68 PolarHBondContact O-N 3.18Å
69L97.2Very high96.4Very high1 Ų131.3 Ų31.31%0.00516%0.159CC..  trans-72.5128-168.8-162.872.5000112.1L46 L49 L66 L72 L89 Y91 L92L46-L69 HydrophobicContact CD2-CD1 4.42Å; L46-L69 HydrophobicContact CG-CD1 4.19Å; L49-L69 HydrophobicContact CB-CD1 3.63Å; L49-L69 HydrophobicContact CB-CD2 4.34Å; L66-L69 HydrophobicContact CB-CB 4.08Å; L66-L69 HydrophobicContact CB-CD2 4.36Å; L66-L69 HydrophobicContact CD1-CD2 4.15Å; L66-L69 WeakPolarHBondContact O-CB 3.5Å; L66-L69 PolarHBondContact O-N 2.87Å; L69-L72 HydrophobicContact CD2-CB 3.9Å; L69-L72 HydrophobicContact CD2-CD1 4.21Å; L69-L72 HydrophobicContact CD2-CD2 4.46Å; L69-L72 HydrophobicContact CD2-CG 4.41Å; L69-L89 HydrophobicContact CD2-CD1 4.31Å; L69-Y91 CarbonylContact O-C 3.42Å; L69-Y91 VanDerWaalsContact O-C 3.28Å; L69-L92 HydrophobicContact CD2-CD1 4.27Å; L69-L92 HydrophobicContact CG-CD1 4.32Å; L69-L92 WeakPolarHBondContact O-CA 3.43Å; L69-L92 PolarHBondContact O-N 3.25Å
70E98.3Very high96.4Very high47 Ų4735 Ų3522%0.2218%0.182CC..SBendtrans-108.1-29.5178.2-62.9-179.1-166.600112.1R47 Y91 R93 S94R47-E70 HydrophobicContact CB-CG 4.44Å; R47-E70 IonicContact NE-OE1 2.63Å; R47-E70 WeakPolarHBondContact O-CA 3.46Å; R47-E70 PolarHBondContact O-N 3.11Å; E70-Y91 WeakPolarHBondContact CA-O 3.36Å; E70-R93 PolarHBondContact O-N 3.11Å; E70-S94 PolarHBondContact O-N 2.87Å
71H98.5Very high96.4Very high78 Ų7838.3 Ų38.336%0.36120%0.198SC..EExtended strand (participates in β ladder)trans-132.4122.7-178.4-55.2-58.7000110.9R47 S48 L49 S94R47-H71 PolarHBondContact O-N 3.04Å; S48-H71 WeakPolarHBondContact CA-O 3.11Å; L49-H71 PolarHBondContact N-O 3.19Å; H71-S94 WeakPolarHBondContact CA-O 3.47Å; H71-S94 WeakPolarHBondContact ND1-CB 3.32Å
72L98.1Very high96.6Very high3 Ų334.2 Ų34.22%0.01618%0.179CC..EExtended strand (participates in β ladder)trans-121.5113.9174-179.855.5000109.6L49 V63 L69 L74 L92 S94 L95 N96L49-L72 HydrophobicContact CB-CD1 4.18Å; L49-L72 HydrophobicContact CD2-CD1 4.07Å; L49-L72 HydrophobicContact CG-CD1 4.16Å; V63-L72 HydrophobicContact CG1-CD2 4.3Å; L69-L72 HydrophobicContact CD2-CB 3.9Å; L69-L72 HydrophobicContact CD2-CD1 4.21Å; L69-L72 HydrophobicContact CD2-CD2 4.46Å; L69-L72 HydrophobicContact CD2-CG 4.41Å; L72-L74 HydrophobicContact CD1-CD1 4.07Å; L72-L74 HydrophobicContact CD1-CG 4.09Å; L72-L74 HydrophobicContact CD2-CD1 3.9Å; L72-L74 HydrophobicContact CG-CD1 3.9Å; L72-L74 HydrophobicContact CG-CG 4.23Å; L72-L92 HydrophobicContact CB-CD1 3.81Å; L72-S94 PolarHBondContact N-O 3.15Å; L72-L95 HydrophobicContact CB-CD1 4.05Å; L72-L95 HydrophobicContact CD2-CD1 3.92Å; L72-L95 HydrophobicContact CG-CD1 4.04Å; L72-N96 PolarHBondContact O-N 3.42Å
73N98.4Very high96.7Very high46 Ų4631.2 Ų31.225%0.24617%0.167CC..EExtended strand (participates in β ladder)trans-113.2109.2178.5-176.5-6.5000111L49 T50 L51 F75 N96L49-N73 PolarHBondContact O-N 3.48Å; T50-N73 HydrophobicContact CG2-CB 4.11Å; L51-N73 PolarHBondContact N-O 3.15Å; N73-F75 WeakPolarHBondContact OD1-CB 3.44Å; N73-F75 PolarHBondContact OD1-N 3.48Å; N73-N96 HydrophobicContact CB-CB 4.45Å
74L98.2Very high96.8Very high0 Ų034.6 Ų34.60%019%0.189CC..  trans-11724.5177.5-73.2160.8000111.3I34 L51 I56 I59 L72 N77 I79 N96 L97 N100I34-L74 HydrophobicContact CD1-CD1 4.29Å; I34-L74 HydrophobicContact CD1-CD2 4.21Å; I34-L74 HydrophobicContact CG1-CD2 4.33Å; L51-L74 HydrophobicContact CB-CD2 3.88Å; L51-L74 HydrophobicContact CD1-CD2 4.11Å; I56-L74 HydrophobicContact CD1-CD2 3.79Å; I59-L74 HydrophobicContact CD1-CD1 3.47Å; I59-L74 VanDerWaalsContact CD1-CD1 3.47Å; I59-L74 HydrophobicContact CG1-CD1 3.81Å; L72-L74 HydrophobicContact CD1-CD1 4.07Å; L72-L74 HydrophobicContact CD1-CG 4.09Å; L72-L74 HydrophobicContact CD2-CD1 3.9Å; L72-L74 HydrophobicContact CG-CD1 3.9Å; L72-L74 HydrophobicContact CG-CG 4.23Å; L74-N77 PolarHBondContact O-ND2 2.86Å; L74-I79 HydrophobicContact CB-CD1 3.75Å; L74-I79 HydrophobicContact CD1-CD1 3.89Å; L74-I79 HydrophobicContact CD2-CD1 4.17Å; L74-I79 HydrophobicContact CG-CD1 4.16Å; L74-N96 CarbonylContact C-O 3.56Å; L74-N96 WeakPolarHBondContact CA-O 3.28Å; L74-N96 PolarHBondContact N-O 2.8Å; L74-L97 HydrophobicContact CB-CD2 4.01Å; L74-L97 HydrophobicContact CD1-CD2 3.98Å; L74-N100 PolarHBondContact O-ND2 2.97Å; L74-N100 VanDerWaalsContact O-ND2 3.09Å
75F98.1Very high96.9Very high50 Ų5037.9 Ų37.922%0.21920%0.202CC..  trans-56.3138-179.7-179.5-97.4000112.5S52 H53 N73 G98 M99S52-F75 CarbonylContact C-O 3.18Å; S52-F75 WeakPolarHBondContact CA-O 3.38Å; S52-F75 VanDerWaalsContact CB-O 3.25Å; S52-F75 WeakPolarHBondContact CB-O 3.34Å; H53-F75 PolarHBondContact N-O 2.85Å; N73-F75 WeakPolarHBondContact OD1-CB 3.44Å; N73-F75 PolarHBondContact OD1-N 3.48Å; F75-G98 CarbonylContact C-O 3.54Å; F75-G98 VanDerWaalsContact CA-O 3.29Å; F75-G98 WeakPolarHBondContact CA-O 3.46Å; F75-G98 WeakPolarHBondContact CD2-O 3.25Å; F75-M99 HydrophobicContact CD2-CB 4.48Å; F75-M99 HydrophobicContact CE1-CG 4.45Å; F75-M99 HydrophobicContact CE1-SD 3.76Å; F75-M99 HydrophobicContact CE2-CB 4.1Å; F75-M99 HydrophobicContact CE2-CG 3.67Å; F75-M99 HydrophobicContact CE2-SD 3.92Å; F75-M99 HydrophobicContact CZ-CB 4.25Å; F75-M99 HydrophobicContact CZ-CG 3.65Å; F75-M99 HydrophobicContact CZ-SD 3.22Å; F75-M99 WeakPolarHBondContact CZ-SD 3.08Å
76N97.2Very high97Very high30 Ų3035 Ų3516%0.1618%0.184CC..SBendtrans56.766.6179-162.13.2000112.4H53 N54 G98 M99H53-N76 CarbonylContact C-O 3.28Å; H53-N76 WeakPolarHBondContact CA-O 3.31Å; H53-N76 PolarHBondContact CE1-ND2 2.85Å; H53-N76 VanDerWaalsContact CE1-ND2 3.3Å; H53-N76 PolarHBondContact N-O 3.43Å; H53-N76 VanDerWaalsContact N-O 3.15Å; H53-N76 PolarHBondContact ND1-ND2 3.13Å; N54-N76 PolarHBondContact N-O 3.42Å; N76-G98 PolarHBondContact N-O 2.92Å; N76-M99 WeakPolarHBondContact CA-O 3.16Å; N76-M99 HydrophobicContact CB-CB 4.06Å; N76-M99 HydrophobicContact CB-SD 4.42Å; N76-M99 PolarHBondContact N-O 3.43Å
77N96.9Very high97.1Very high1 Ų136.3 Ų36.31%0.00519%0.192CC..SBendtrans-128.5-168.7173.2-87-76.7000109.5L51 N54 K55 I56 L74 I79 M99 N100L51-N77 PolarHBondContact O-ND2 3.32Å; N54-N77 VanDerWaalsContact CA-OD1 3.29Å; N54-N77 WeakPolarHBondContact CA-OD1 3.31Å; N54-N77 WeakPolarHBondContact CB-OD1 3.36Å; N54-N77 PolarHBondContact N-OD1 3.48Å; N54-N77 PolarHBondContact O-OD1 2.79Å; K55-N77 PolarHBondContact N-OD1 2.95Å; I56-N77 HydrophobicContact CB-CB 4.27Å; I56-N77 VanDerWaalsContact CB-OD1 3.31Å; I56-N77 WeakPolarHBondContact CB-OD1 3.34Å; I56-N77 WeakPolarHBondContact CG1-OD1 3.42Å; I56-N77 PolarHBondContact N-OD1 3.09Å; L74-N77 PolarHBondContact O-ND2 2.86Å; N77-I79 HydrophobicContact CB-CD1 4.28Å; N77-I79 HydrophobicContact CB-CG1 4.05Å; N77-M99 PolarHBondContact N-O 2.93Å; N77-N100 WeakPolarHBondContact CA-OD1 3.42Å; N77-N100 WeakPolarHBondContact CB-OD1 3.23Å; N77-N100 PolarHBondContact N-OD1 3.09Å; N77-N100 PolarHBondContact O-OD1 3.02Å
78C96.6Very high97.3Very high14 Ų1436.3 Ų36.310%0.09519%0.192CC..  trans-112.229.5178.4-71.20000112I56 T57 V80I56-C78 CarbonylContact O-C 3.28Å; I56-C78 VanDerWaalsContact O-CA 3.28Å; I56-C78 WeakPolarHBondContact O-CA 3.25Å; I56-C78 PolarHBondContact O-N 3.12Å; T57-C78 WeakPolarHBondContact CA-O 3.25Å; T57-C78 HydrophobicContact CG2-CB 4.33Å; C78-V80 PolarHBondContact O-N 2.74Å
79I97.8Very high97.4Very high0 Ų035 Ų350%018%0.184CC..  trans-67122.3-170.9-59.9170.2000109.9I56 T57 I59 L74 N77 D81 I82 L97 N100 K101 L102I56-I79 HydrophobicContact CG2-CG1 4.2Å; I56-I79 WeakPolarHBondContact O-CG1 3.22Å; I56-I79 PolarHBondContact O-N 3.21Å; I56-I79 VanDerWaalsContact O-N 3.11Å; T57-I79 WeakPolarHBondContact O-CA 3.32Å; I59-I79 HydrophobicContact CD1-CD1 4.27Å; I59-I79 HydrophobicContact CG1-CD1 3.98Å; I59-I79 HydrophobicContact CG1-CG2 4.21Å; L74-I79 HydrophobicContact CB-CD1 3.75Å; L74-I79 HydrophobicContact CD1-CD1 3.89Å; L74-I79 HydrophobicContact CD2-CD1 4.17Å; L74-I79 HydrophobicContact CG-CD1 4.16Å; N77-I79 HydrophobicContact CB-CD1 4.28Å; N77-I79 HydrophobicContact CB-CG1 4.05Å; I79-D81 VanDerWaalsContact CG2-O 3.32Å; I79-D81 WeakPolarHBondContact CG2-O 3.1Å; I79-I82 HydrophobicContact CG2-CG1 4.13Å; I79-L97 HydrophobicContact CD1-CD2 4.08Å; I79-N100 HydrophobicContact CB-CB 4.15Å; I79-N100 VanDerWaalsContact CB-OD1 3.29Å; I79-N100 WeakPolarHBondContact CB-OD1 3.29Å; I79-N100 VanDerWaalsContact CG1-OD1 3.28Å; I79-N100 WeakPolarHBondContact CG1-OD1 3.48Å; I79-N100 PolarHBondContact N-OD1 2.91Å; I79-K101 CarbonylContact O-C 3.54Å; I79-K101 VanDerWaalsContact O-C 3.24Å; I79-K101 WeakPolarHBondContact O-CA 3.11Å; I79-K101 PolarHBondContact O-N 3.15Å; I79-L102 HydrophobicContact CB-CD2 4.49Å; I79-L102 HydrophobicContact CG2-CD2 3.8Å; I79-L102 PolarHBondContact O-N 3.2Å
80V97.1Very high97.3Very high79 Ų7937.8 Ų37.848%0.47920%0.201SC..  trans-110.6-25.2174-670000112.3T57 C78 K101T57-V80 WeakPolarHBondContact O-CG2 3.21Å; T57-V80 PolarHBondContact O-N 2.88Å; C78-V80 PolarHBondContact O-N 2.74Å; V80-K101 HydrophobicContact CG1-CB 3.74Å
81D96.8Very high97.3Very high92 Ų9241.8 Ų41.849%0.49222%0.215SC..EExtended strand (participates in β ladder)trans-130.9144-176.8-169.531.6000112.2E58 I59 I79E58-D81 VanDerWaalsContact CA-O 3.29Å; E58-D81 WeakPolarHBondContact CA-O 3.34Å; E58-D81 HydrophobicContact CB-CB 4.39Å; I59-D81 PolarHBondContact N-O 3Å; I79-D81 VanDerWaalsContact CG2-O 3.32Å; I79-D81 WeakPolarHBondContact CG2-O 3.1Å
82I98Very high97.3Very high2 Ų238.1 Ų38.11%0.0120%0.198CC..EExtended strand (participates in β ladder)trans-130.9119.9178.3-57.5175.6000107.7I59 I79 I86 L97 L102 L105 P106 F109I59-I82 HydrophobicContact CB-CG2 4.22Å; I59-I82 HydrophobicContact CD1-CD1 4.35Å; I59-I82 HydrophobicContact CD1-CG1 3.99Å; I59-I82 HydrophobicContact CD1-CG2 4.13Å; I59-I82 HydrophobicContact CG1-CG1 4.3Å; I79-I82 HydrophobicContact CG2-CG1 4.13Å; I82-I86 HydrophobicContact CG2-CB 4.22Å; I82-I86 HydrophobicContact CG2-CD1 4.05Å; I82-I86 HydrophobicContact CG2-CG2 3.78Å; I82-L97 HydrophobicContact CD1-CD1 3.64Å; I82-L102 HydrophobicContact CD1-CD1 3.91Å; I82-L102 HydrophobicContact CD1-CD2 3.65Å; I82-L102 HydrophobicContact CD1-CG 4.45Å; I82-L102 HydrophobicContact CG1-CD2 3.78Å; I82-L105 HydrophobicContact CD1-CD2 4.22Å; I82-P106 HydrophobicContact CB-CG 4.1Å; I82-P106 HydrophobicContact CG2-CG 4.09Å; I82-P106 WeakPolarHBondContact O-CB 3.37Å; I82-P106 WeakPolarHBondContact O-CG 3.15Å; I82-F109 HydrophobicContact CD1-CE2 4.19Å; I82-F109 HydrophobicContact CG2-CE2 4.42Å
83S97.1Very high97.3Very high16 Ų1643.3 Ų43.311%0.11222%0.217CC..  trans-59.1132.6172.7-178.80000110.9I59 Q61 K85 I86I59-S83 VanDerWaalsContact O-CB 3.25Å; I59-S83 WeakPolarHBondContact O-CB 3.37Å; I59-S83 PolarHBondContact O-N 2.77Å; Q61-S83 VanDerWaalsContact CA-OG 3.25Å; Q61-S83 WeakPolarHBondContact CA-OG 3.28Å; Q61-S83 WeakPolarHBondContact CB-OG 3.25Å; S83-K85 PolarHBondContact O-N 3.3Å; S83-K85 PolarHBondContact OG-N 2.65Å; S83-I86 WeakPolarHBondContact O-CG2 3.49Å; S83-I86 PolarHBondContact O-N 2.94Å; S83-I86 VanDerWaalsContact O-N 3.07Å
84P96.8Very high97.3Very high73 Ų7342.4 Ų42.447%0.47422%0.215SC..G310 helixtrans-55-25174-23.230.3000113.5I86 V87 P106P84-I86 PolarHBondContact O-N 3.37Å; P84-I86 VanDerWaalsContact O-N 3.14Å; P84-V87 WeakPolarHBondContact O-CG2 3.35Å; P84-V87 PolarHBondContact O-N 2.91Å; P84-P106 HydrophobicContact CB-CB 4.29Å; P84-P106 HydrophobicContact CG-CB 3.89Å
85K96.7Very high97.3Very high81 Ų8142.4 Ų42.435%0.35222%0.215SC..G310 helixtrans-67.7-7.7179-63.3-157.3-176159.40114.4Q61 S64 S83 V87 E88Q61-K85 HydrophobicContact CB-CB 4.45Å; Q61-K85 HydrophobicContact CB-CD 4.08Å; Q61-K85 HydrophobicContact CB-CG 4.36Å; S64-K85 WeakPolarHBondContact CB-O 3.24Å; S83-K85 PolarHBondContact O-N 3.3Å; S83-K85 PolarHBondContact OG-N 2.65Å; K85-V87 PolarHBondContact O-N 2.94Å; K85-V87 VanDerWaalsContact O-N 3.11Å; K85-E88 HydrophobicContact CB-CG 4.48Å; K85-E88 WeakPolarHBondContact CD-OE1 3.3Å; K85-E88 WeakPolarHBondContact CG-OE1 3.41Å; K85-E88 VanDerWaalsContact O-CB 3.28Å; K85-E88 WeakPolarHBondContact O-CB 3.36Å; K85-E88 WeakPolarHBondContact O-CG 3.38Å; K85-E88 PolarHBondContact O-N 2.94Å
86I96.8Very high97.4Very high2 Ų241.5 Ų41.51%0.0121%0.212CC..G310 helixtrans-55-29.6173.2-165.3176.1000112.1I59 I82 S83 P84 E88 L89 L95 F109 F112I59-I86 HydrophobicContact CD1-CD1 3.89Å; I59-I86 HydrophobicContact CG2-CD1 4.16Å; I82-I86 HydrophobicContact CG2-CB 4.22Å; I82-I86 HydrophobicContact CG2-CD1 4.05Å; I82-I86 HydrophobicContact CG2-CG2 3.78Å; S83-I86 WeakPolarHBondContact O-CG2 3.49Å; S83-I86 PolarHBondContact O-N 2.94Å; S83-I86 VanDerWaalsContact O-N 3.07Å; P84-I86 PolarHBondContact O-N 3.37Å; P84-I86 VanDerWaalsContact O-N 3.14Å; I86-E88 PolarHBondContact O-N 3.05Å; I86-L89 HydrophobicContact CG1-CD1 4.22Å; I86-L89 WeakPolarHBondContact O-CB 3.34Å; I86-L89 WeakPolarHBondContact O-CG 3.39Å; I86-L89 PolarHBondContact O-N 2.81Å; I86-L95 HydrophobicContact CD1-CD1 4.19Å; I86-L95 HydrophobicContact CD1-CD2 3.89Å; I86-F109 HydrophobicContact CG2-CD2 4.48Å; I86-F109 HydrophobicContact CG2-CE2 4.45Å; I86-F112 HydrophobicContact CB-CZ 4.33Å; I86-F112 HydrophobicContact CD1-CZ 4.22Å; I86-F112 HydrophobicContact CG1-CE1 4.16Å; I86-F112 HydrophobicContact CG1-CZ 3.97Å; I86-F112 HydrophobicContact CG2-CE1 4.38Å; I86-F112 HydrophobicContact CG2-CE2 4.43Å; I86-F112 HydrophobicContact CG2-CZ 3.68Å; I86-F112 VanDerWaalsContact O-CE1 3.3Å; I86-F112 WeakPolarHBondContact O-CE1 2.91Å
87V96.7Very high97.4Very high30 Ų3040.1 Ų40.118%0.18220%0.204CC..G310 helixtrans-68.9-14.5179.3-52.80000113.6P84 K85 L89 A111 F112P84-V87 WeakPolarHBondContact O-CG2 3.35Å; P84-V87 PolarHBondContact O-N 2.91Å; K85-V87 PolarHBondContact O-N 2.94Å; K85-V87 VanDerWaalsContact O-N 3.11Å; V87-L89 PolarHBondContact O-N 2.88Å; V87-A111 HydrophobicContact CB-CB 4.34Å; V87-A111 HydrophobicContact CG1-CB 4.45Å; V87-A111 HydrophobicContact CG2-CB 4.36Å; V87-F112 HydrophobicContact CB-CD1 4.49Å; V87-F112 HydrophobicContact CG1-CD2 4.14Å; V87-F112 HydrophobicContact CG1-CE1 4.45Å; V87-F112 HydrophobicContact CG1-CE2 3.99Å; V87-F112 HydrophobicContact CG1-CG 4.44Å; V87-F112 HydrophobicContact CG1-CZ 4.17Å
88E96.9Very high97.5Very high89 Ų8940 Ų4042%0.41620%0.204SC..G310 helixtrans-74.1-5.9175.6-60.7176.7-168.600112.6S64 Q67 K85 I86 T90S64-E88 WeakPolarHBondContact CB-OE2 3.47Å; Q67-E88 PolarHBondContact NE2-O 2.89Å; K85-E88 HydrophobicContact CB-CG 4.48Å; K85-E88 WeakPolarHBondContact CD-OE1 3.3Å; K85-E88 WeakPolarHBondContact CG-OE1 3.41Å; K85-E88 VanDerWaalsContact O-CB 3.28Å; K85-E88 WeakPolarHBondContact O-CB 3.36Å; K85-E88 WeakPolarHBondContact O-CG 3.38Å; K85-E88 PolarHBondContact O-N 2.94Å; I86-E88 PolarHBondContact O-N 3.05Å; E88-T90 VanDerWaalsContact C-N 3.31Å; E88-T90 PolarHBondContact O-N 2.95Å
89L96.8Very high97.5Very high1 Ų141 Ų411%0.00521%0.207CC..  trans-74.682.6171-64.6178000110.4V63 L66 L69 I86 V87 Y91 L92V63-L89 HydrophobicContact CG1-CD1 3.99Å; V63-L89 WeakPolarHBondContact O-CD2 3.42Å; L66-L89 HydrophobicContact CB-CD2 4.09Å; L66-L89 WeakPolarHBondContact O-CD2 3.32Å; L69-L89 HydrophobicContact CD2-CD1 4.31Å; I86-L89 HydrophobicContact CG1-CD1 4.22Å; I86-L89 WeakPolarHBondContact O-CB 3.34Å; I86-L89 WeakPolarHBondContact O-CG 3.39Å; I86-L89 PolarHBondContact O-N 2.81Å; V87-L89 PolarHBondContact O-N 2.88Å; L89-Y91 PolarHBondContact O-N 2.81Å; L89-Y91 VanDerWaalsContact O-N 3.12Å; L89-L92 HydrophobicContact CB-CB 3.8Å; L89-L92 HydrophobicContact CB-CD2 4.43Å; L89-L92 HydrophobicContact CD1-CD1 4.37Å; L89-L92 HydrophobicContact CD1-CD2 4.01Å; L89-L92 WeakPolarHBondContact O-CB 3.49Å; L89-L92 PolarHBondContact O-N 3.43Å; L89-L92 VanDerWaalsContact O-N 3.09Å
90T96.1Very high97.5Very high59 Ų5941 Ų4136%0.36221%0.208SC..THydrogen-bonded Turntrans-63.6-22.5-169.655.50000114.8E88 P113E88-T90 VanDerWaalsContact C-N 3.31Å; E88-T90 PolarHBondContact O-N 2.95Å; T90-P113 HydrophobicContact CG2-CG 4.38Å; T90-P113 WeakPolarHBondContact O-CG 3.25Å
91Y97.3Very high97.5Very high131 Ų13139.2 Ų39.251%0.51419%0.193SC..THydrogen-bonded Turntrans-100.8-0.3-179.9-65.2-85.1000113.5Q67 L69 E70 L89 R93Q67-Y91 WeakPolarHBondContact O-CD2 3.47Å; L69-Y91 CarbonylContact O-C 3.42Å; L69-Y91 VanDerWaalsContact O-C 3.28Å; E70-Y91 WeakPolarHBondContact CA-O 3.36Å; L89-Y91 PolarHBondContact O-N 2.81Å; L89-Y91 VanDerWaalsContact O-N 3.12Å; Y91-R93 WeakPolarHBondContact O-CG 3.43Å; Y91-R93 PolarHBondContact O-N 2.99Å; Y91-R93 VanDerWaalsContact O-N 3.13Å
92L98.3Very high97.5Very high1 Ų134.8 Ų34.81%0.00517%0.17CC..  trans-67.6114.4-175.7-16773.4000110.7L69 L72 L89 L95 F112 S114 L115L69-L92 HydrophobicContact CD2-CD1 4.27Å; L69-L92 HydrophobicContact CG-CD1 4.32Å; L69-L92 WeakPolarHBondContact O-CA 3.43Å; L69-L92 PolarHBondContact O-N 3.25Å; L72-L92 HydrophobicContact CB-CD1 3.81Å; L89-L92 HydrophobicContact CB-CB 3.8Å; L89-L92 HydrophobicContact CB-CD2 4.43Å; L89-L92 HydrophobicContact CD1-CD1 4.37Å; L89-L92 HydrophobicContact CD1-CD2 4.01Å; L89-L92 WeakPolarHBondContact O-CB 3.49Å; L89-L92 PolarHBondContact O-N 3.43Å; L89-L92 VanDerWaalsContact O-N 3.09Å; L92-L95 HydrophobicContact CD2-CB 4.13Å; L92-L95 HydrophobicContact CD2-CD1 4.43Å; L92-L95 HydrophobicContact CD2-CD2 4.46Å; L92-F112 HydrophobicContact CD2-CD1 4.25Å; L92-F112 HydrophobicContact CD2-CE1 3.68Å; L92-F112 HydrophobicContact CD2-CZ 4.42Å; L92-S114 CarbonylContact O-C 3.49Å; L92-S114 VanDerWaalsContact O-C 3.31Å; L92-L115 HydrophobicContact CD2-CD1 4.26Å; L92-L115 HydrophobicContact CG-CD1 4.24Å; L92-L115 WeakPolarHBondContact O-CA 3.45Å; L92-L115 PolarHBondContact O-N 2.92Å
93R98.6Very high97.5Very high113 Ų11338 Ų3843%0.42619%0.192SC..  trans-102.2-29.8178.6-62.1-173.5-172.3-177.14.3112.9E70 Y91 E116 I117E70-R93 PolarHBondContact O-N 3.11Å; Y91-R93 WeakPolarHBondContact O-CG 3.43Å; Y91-R93 PolarHBondContact O-N 2.99Å; Y91-R93 VanDerWaalsContact O-N 3.13Å; R93-E116 WeakPolarHBondContact O-CA 3.28Å; R93-E116 PolarHBondContact O-N 2.98Å; R93-I117 PolarHBondContact O-N 3.42Å
94S98.8Very high97.5Very high27 Ų2741.1 Ų41.119%0.18921%0.21CC..EExtended strand (participates in β ladder)trans-131.6125.8179.6-173.40000111.5E70 H71 L72 I117E70-S94 PolarHBondContact O-N 2.87Å; H71-S94 WeakPolarHBondContact CA-O 3.47Å; H71-S94 WeakPolarHBondContact ND1-CB 3.32Å; L72-S94 PolarHBondContact N-O 3.15Å; S94-I117 WeakPolarHBondContact CA-O 3.29Å
95L98.7Very high97.6Very high0 Ų037.9 Ų37.90%019%0.189CC..EExtended strand (participates in β ladder)trans-124.7111175.7179.356.5000109.3L72 I86 L92 L97 F109 F112 L115 I117 L118 D119L72-L95 HydrophobicContact CB-CD1 4.05Å; L72-L95 HydrophobicContact CD2-CD1 3.92Å; L72-L95 HydrophobicContact CG-CD1 4.04Å; I86-L95 HydrophobicContact CD1-CD1 4.19Å; I86-L95 HydrophobicContact CD1-CD2 3.89Å; L92-L95 HydrophobicContact CD2-CB 4.13Å; L92-L95 HydrophobicContact CD2-CD1 4.43Å; L92-L95 HydrophobicContact CD2-CD2 4.46Å; L95-L97 HydrophobicContact CD1-CD1 4.19Å; L95-L97 HydrophobicContact CD1-CD2 4.22Å; L95-L97 HydrophobicContact CD1-CG 3.96Å; L95-L97 HydrophobicContact CD2-CD1 3.82Å; L95-L97 HydrophobicContact CD2-CG 4.44Å; L95-L97 HydrophobicContact CG-CD1 3.88Å; L95-L97 HydrophobicContact CG-CG 3.95Å; L95-F109 HydrophobicContact CD2-CE2 4.41Å; L95-F109 HydrophobicContact CD2-CZ 3.95Å; L95-F112 HydrophobicContact CD2-CE2 4.35Å; L95-F112 HydrophobicContact CD2-CZ 3.89Å; L95-L115 HydrophobicContact CB-CD1 3.76Å; L95-I117 PolarHBondContact N-O 2.99Å; L95-L118 HydrophobicContact CB-CD1 4.23Å; L95-L118 HydrophobicContact CD2-CD1 4.13Å; L95-L118 HydrophobicContact CG-CD1 4.21Å; L95-D119 PolarHBondContact O-N 2.99Å
96N98.7Very high97.6Very high31 Ų3134.9 Ų34.917%0.16618%0.178CC..EExtended strand (participates in β ladder)trans-104.7112.6174.6-169-29.7000110.7L72 N73 L74 G98 D119L72-N96 PolarHBondContact O-N 3.42Å; N73-N96 HydrophobicContact CB-CB 4.45Å; L74-N96 CarbonylContact C-O 3.56Å; L74-N96 WeakPolarHBondContact CA-O 3.28Å; L74-N96 PolarHBondContact N-O 2.8Å; N96-G98 PolarHBondContact OD1-N 3.09Å; N96-D119 HydrophobicContact CB-CB 4.39Å; N96-D119 PolarHBondContact ND2-OD2 3.04Å
97L98.6Very high97.5Very high0 Ų045.5 Ų45.50%022%0.218CC..  trans-120.419.8176.3-64.9169.7000111.3I59 L74 I79 I82 L95 N100 L102 F109 D119 L120 N123I59-L97 HydrophobicContact CD1-CD2 3.59Å; L74-L97 HydrophobicContact CB-CD2 4.01Å; L74-L97 HydrophobicContact CD1-CD2 3.98Å; I79-L97 HydrophobicContact CD1-CD2 4.08Å; I82-L97 HydrophobicContact CD1-CD1 3.64Å; L95-L97 HydrophobicContact CD1-CD1 4.19Å; L95-L97 HydrophobicContact CD1-CD2 4.22Å; L95-L97 HydrophobicContact CD1-CG 3.96Å; L95-L97 HydrophobicContact CD2-CD1 3.82Å; L95-L97 HydrophobicContact CD2-CG 4.44Å; L95-L97 HydrophobicContact CG-CD1 3.88Å; L95-L97 HydrophobicContact CG-CG 3.95Å; L97-N100 VanDerWaalsContact C-ND2 3.32Å; L97-N100 PolarHBondContact O-ND2 2.74Å; L97-L102 HydrophobicContact CB-CD1 4.07Å; L97-L102 HydrophobicContact CD1-CD1 4.2Å; L97-F109 HydrophobicContact CD1-CZ 4.36Å; L97-D119 CarbonylContact C-O 3.09Å; L97-D119 WeakPolarHBondContact CA-O 3.31Å; L97-D119 PolarHBondContact N-O 3.39Å; L97-L120 HydrophobicContact CB-CD2 3.94Å; L97-L120 HydrophobicContact CD1-CD2 3.95Å; L97-N123 PolarHBondContact O-ND2 3.35Å
98G98Very high97.3Very high0 Ų045.3 Ų45.30%022%0.223CC..  trans-62.6150.3178.900000112.2F75 N76 N96 N100 D119 T121F75-G98 CarbonylContact C-O 3.54Å; F75-G98 VanDerWaalsContact CA-O 3.29Å; F75-G98 WeakPolarHBondContact CA-O 3.46Å; F75-G98 WeakPolarHBondContact CD2-O 3.25Å; N76-G98 PolarHBondContact N-O 2.92Å; N96-G98 PolarHBondContact OD1-N 3.09Å; G98-N100 PolarHBondContact O-ND2 2.73Å; G98-D119 PolarHBondContact N-O 3.23Å; G98-T121 CarbonylContact C-O 3.59Å; G98-T121 WeakPolarHBondContact CA-O 3.46Å
99M97.2Very high97.3Very high33 Ų3341.1 Ų41.116%0.16320%0.203CC..SBendtrans53.255.7-177.1-64-172.971.200112.7F75 N76 N77 T121 Y122 I270F75-M99 HydrophobicContact CD2-CB 4.48Å; F75-M99 HydrophobicContact CE1-CG 4.45Å; F75-M99 HydrophobicContact CE1-SD 3.76Å; F75-M99 HydrophobicContact CE2-CB 4.1Å; F75-M99 HydrophobicContact CE2-CG 3.67Å; F75-M99 HydrophobicContact CE2-SD 3.92Å; F75-M99 HydrophobicContact CZ-CB 4.25Å; F75-M99 HydrophobicContact CZ-CG 3.65Å; F75-M99 HydrophobicContact CZ-SD 3.22Å; F75-M99 WeakPolarHBondContact CZ-SD 3.08Å; N76-M99 WeakPolarHBondContact CA-O 3.16Å; N76-M99 HydrophobicContact CB-CB 4.06Å; N76-M99 HydrophobicContact CB-SD 4.42Å; N76-M99 PolarHBondContact N-O 3.43Å; N77-M99 PolarHBondContact N-O 2.93Å; M99-T121 PolarHBondContact N-O 3.31Å; M99-Y122 WeakPolarHBondContact CA-O 3.48Å; M99-Y122 HydrophobicContact CG-CD2 3.79Å; M99-Y122 HydrophobicContact CG-CG 3.88Å; M99-I270 HydrophobicContact CE-CD1 3.85Å; M99-I270 HydrophobicContact CE-CG2 3.88Å
100N97.7Very high97.3Very high1 Ų141.2 Ų41.21%0.00520%0.204CC..SBendtrans-119.5-163.7172.3-83.3-74.7000110.2L74 N77 I79 L97 G98 L102 Y122 N123 S271L74-N100 PolarHBondContact O-ND2 2.97Å; L74-N100 VanDerWaalsContact O-ND2 3.09Å; N77-N100 WeakPolarHBondContact CA-OD1 3.42Å; N77-N100 WeakPolarHBondContact CB-OD1 3.23Å; N77-N100 PolarHBondContact N-OD1 3.09Å; N77-N100 PolarHBondContact O-OD1 3.02Å; I79-N100 HydrophobicContact CB-CB 4.15Å; I79-N100 VanDerWaalsContact CB-OD1 3.29Å; I79-N100 WeakPolarHBondContact CB-OD1 3.29Å; I79-N100 VanDerWaalsContact CG1-OD1 3.28Å; I79-N100 WeakPolarHBondContact CG1-OD1 3.48Å; I79-N100 PolarHBondContact N-OD1 2.91Å; L97-N100 VanDerWaalsContact C-ND2 3.32Å; L97-N100 PolarHBondContact O-ND2 2.74Å; G98-N100 PolarHBondContact O-ND2 2.73Å; N100-L102 HydrophobicContact CB-CG 4.28Å; N100-Y122 PolarHBondContact N-O 3.31Å; N100-N123 WeakPolarHBondContact CA-OD1 3.16Å; N100-N123 WeakPolarHBondContact CB-OD1 3.48Å; N100-N123 PolarHBondContact N-OD1 3.04Å; N100-N123 PolarHBondContact O-OD1 2.85Å; N100-S271 WeakPolarHBondContact O-CB 3.36Å
101K96.9Very high97.3Very high41 Ų4141 Ų4118%0.17821%0.208CC..  trans-118.624.3-179.3-53.9-165-174.4-172.70111.9I79 V80 S103 N123 S271 K273I79-K101 CarbonylContact O-C 3.54Å; I79-K101 VanDerWaalsContact O-C 3.24Å; I79-K101 WeakPolarHBondContact O-CA 3.11Å; I79-K101 PolarHBondContact O-N 3.15Å; V80-K101 HydrophobicContact CG1-CB 3.74Å; K101-S103 PolarHBondContact O-N 2.94Å; K101-N123 PolarHBondContact N-OD1 2.89Å; K101-S271 WeakPolarHBondContact CG-O 3.29Å; K101-K273 PolarHBondContact NZ-O 3.38Å
102L97.8Very high97.3Very high0 Ų035.1 Ų35.10%019%0.186CC..  trans-62.7129.7-177.1-61171000110.1I79 I82 L97 N100 L105 L120 N123 N124 L125I79-L102 HydrophobicContact CB-CD2 4.49Å; I79-L102 HydrophobicContact CG2-CD2 3.8Å; I79-L102 PolarHBondContact O-N 3.2Å; I82-L102 HydrophobicContact CD1-CD1 3.91Å; I82-L102 HydrophobicContact CD1-CD2 3.65Å; I82-L102 HydrophobicContact CD1-CG 4.45Å; I82-L102 HydrophobicContact CG1-CD2 3.78Å; L97-L102 HydrophobicContact CB-CD1 4.07Å; L97-L102 HydrophobicContact CD1-CD1 4.2Å; N100-L102 HydrophobicContact CB-CG 4.28Å; L102-L105 HydrophobicContact CD1-CD2 4.36Å; L102-L120 HydrophobicContact CD1-CD2 3.83Å; L102-N123 HydrophobicContact CB-CB 4.18Å; L102-N123 VanDerWaalsContact CB-OD1 3.32Å; L102-N123 WeakPolarHBondContact CB-OD1 3.4Å; L102-N123 WeakPolarHBondContact CG-OD1 3.19Å; L102-N123 PolarHBondContact N-OD1 3.47Å; L102-N124 CarbonylContact O-C 3.45Å; L102-N124 VanDerWaalsContact O-CA 3.3Å; L102-N124 WeakPolarHBondContact O-CA 3.46Å; L102-N124 WeakPolarHBondContact O-CB 3.31Å; L102-N124 PolarHBondContact O-N 3.07Å; L102-L125 HydrophobicContact CB-CD2 4.14Å; L102-L125 HydrophobicContact CB-CG 4.5Å
103S96.7Very high97.2Very high68 Ų6838.3 Ų38.348%0.47621%0.206SC..SBendtrans-118.4-12.9174.7560000112.7K101 S129K101-S103 PolarHBondContact O-N 2.94Å; S103-S129 WeakPolarHBondContact O-CB 3.44Å; S103-S129 PolarHBondContact O-OG 2.99Å
104V97.5Very high97.1Very high82 Ų8235 Ų3550%0.49720%0.201SC..  trans-151.3147.7176.265.70000108.9
105L98Very high97.1Very high5 Ų533.8 Ų33.83%0.02619%0.192CC..PPolyproline II helixtrans-99.8144168.4-63.2177.9000109.6I82 L102 F109 L120 L125 S129 L130 F134I82-L105 HydrophobicContact CD1-CD2 4.22Å; L102-L105 HydrophobicContact CD1-CD2 4.36Å; L105-F109 HydrophobicContact CB-CB 4.29Å; L105-F109 HydrophobicContact CB-CD2 4.45Å; L105-F109 HydrophobicContact CB-CG 4.18Å; L105-F109 HydrophobicContact CD1-CD1 3.85Å; L105-F109 HydrophobicContact CD1-CE1 3.97Å; L105-F109 HydrophobicContact CD1-CG 4.34Å; L105-F109 HydrophobicContact CD2-CD2 4.5Å; L105-F109 HydrophobicContact CD2-CE1 4.43Å; L105-F109 HydrophobicContact CD2-CE2 4.24Å; L105-F109 HydrophobicContact CD2-CZ 4.2Å; L105-L120 HydrophobicContact CD1-CD1 3.94Å; L105-L120 HydrophobicContact CD2-CD2 4.11Å; L105-L125 HydrophobicContact CD2-CD2 4.45Å; L105-L125 HydrophobicContact CG-CD2 4.2Å; L105-S129 PolarHBondContact N-O 3.32Å; L105-L130 HydrophobicContact CD1-CD2 3.72Å; L105-F134 HydrophobicContact CD1-CD2 3.75Å; L105-F134 HydrophobicContact CD1-CE2 3.53Å
106P97Very high97.1Very high19 Ų1936.3 Ų36.312%0.12320%0.204CC..PPolyproline II helixtrans-63.6153.7-176.826.7-35.8000111.8I82 P84 G108 F109I82-P106 HydrophobicContact CB-CG 4.1Å; I82-P106 HydrophobicContact CG2-CG 4.09Å; I82-P106 WeakPolarHBondContact O-CB 3.37Å; I82-P106 WeakPolarHBondContact O-CG 3.15Å; P84-P106 HydrophobicContact CB-CB 4.29Å; P84-P106 HydrophobicContact CG-CB 3.89Å; P106-G108 PolarHBondContact O-N 2.83Å; P106-F109 HydrophobicContact CG-CB 4.36Å; P106-F109 HydrophobicContact CG-CD2 3.78Å; P106-F109 VanDerWaalsContact O-CB 3.31Å; P106-F109 WeakPolarHBondContact O-CB 3.45Å; P106-F109 PolarHBondContact O-N 2.79Å; P106-F109 VanDerWaalsContact O-N 3.15Å
107R94.6Very high97.1Very high224 Ų22438 Ų3885%0.84521%0.212SC*.THydrogen-bonded Turntrans-56.1140169.6-69.1-176.2-176.5169.41.4109.6F109R107-F109 VanDerWaalsContact C-N 3.31Å
108G94Very high97.1Very high27 Ų2738 Ų3828%0.27821%0.212SC..THydrogen-bonded Turntrans86.7-6.2-179.100000114P106 G110 A111 N133P106-G108 PolarHBondContact O-N 2.83Å; G108-G110 PolarHBondContact O-N 2.77Å; G108-A111 WeakPolarHBondContact O-CB 3.15Å; G108-A111 PolarHBondContact O-N 2.89Å; G108-N133 VanDerWaalsContact C-ND2 3.33Å; G108-N133 VanDerWaalsContact CA-ND2 3.32Å; G108-N133 WeakPolarHBondContact CA-ND2 3.37Å; G108-N133 PolarHBondContact N-OD1 2.98Å; G108-N133 PolarHBondContact O-ND2 3.28Å
109F96.7Very high97.2Very high0 Ų039.2 Ų39.20%022%0.219CC..G310 helixtrans-51.8-28.1-176.7-163.7-96.2000114.1I82 I86 L95 L97 L105 P106 R107 A111 F112 L118 P131 F134I82-F109 HydrophobicContact CD1-CE2 4.19Å; I82-F109 HydrophobicContact CG2-CE2 4.42Å; I86-F109 HydrophobicContact CG2-CD2 4.48Å; I86-F109 HydrophobicContact CG2-CE2 4.45Å; L95-F109 HydrophobicContact CD2-CE2 4.41Å; L95-F109 HydrophobicContact CD2-CZ 3.95Å; L97-F109 HydrophobicContact CD1-CZ 4.36Å; L105-F109 HydrophobicContact CB-CB 4.29Å; L105-F109 HydrophobicContact CB-CD2 4.45Å; L105-F109 HydrophobicContact CB-CG 4.18Å; L105-F109 HydrophobicContact CD1-CD1 3.85Å; L105-F109 HydrophobicContact CD1-CE1 3.97Å; L105-F109 HydrophobicContact CD1-CG 4.34Å; L105-F109 HydrophobicContact CD2-CD2 4.5Å; L105-F109 HydrophobicContact CD2-CE1 4.43Å; L105-F109 HydrophobicContact CD2-CE2 4.24Å; L105-F109 HydrophobicContact CD2-CZ 4.2Å; P106-F109 HydrophobicContact CG-CB 4.36Å; P106-F109 HydrophobicContact CG-CD2 3.78Å; P106-F109 VanDerWaalsContact O-CB 3.31Å; P106-F109 WeakPolarHBondContact O-CB 3.45Å; P106-F109 PolarHBondContact O-N 2.79Å; P106-F109 VanDerWaalsContact O-N 3.15Å; R107-F109 VanDerWaalsContact C-N 3.31Å; F109-A111 PolarHBondContact O-N 3Å; F109-F112 HydrophobicContact CD1-CE2 4.31Å; F109-F112 HydrophobicContact CD2-CE2 4.18Å; F109-F112 HydrophobicContact CE1-CE2 4.16Å; F109-F112 HydrophobicContact CE2-CE2 4.05Å; F109-F112 HydrophobicContact CE2-CZ 4.43Å; F109-F112 HydrophobicContact CG-CE2 4.33Å; F109-F112 HydrophobicContact CZ-CE2 4.04Å; F109-F112 WeakPolarHBondContact O-CD2 3.1Å; F109-F112 WeakPolarHBondContact O-CE2 3.49Å; F109-L118 HydrophobicContact CE1-CD1 4.16Å; F109-L118 HydrophobicContact CE1-CD2 3.83Å; F109-L118 HydrophobicContact CZ-CD1 4.18Å; F109-P131 HydrophobicContact CB-CG 3.91Å; F109-F134 HydrophobicContact CD1-CD2 4.07Å; F109-F134 HydrophobicContact CD1-CE2 4.12Å; F109-F134 HydrophobicContact CE1-CE2 4.3Å
110G96Very high97.2Very high3 Ų337.7 Ų37.73%0.03121%0.211CC..G310 helixtrans-78.113.2174.300000116.9G108 N133G108-G110 PolarHBondContact O-N 2.77Å; G110-N133 WeakPolarHBondContact CA-O 3.19Å; G110-N133 PolarHBondContact N-ND2 3.32Å; G110-N133 PolarHBondContact N-OD1 3.45Å
111A96.8Very high97.3Very high55 Ų5538.4 Ų38.446%0.45522%0.216SC..G310 helixtrans-999.4-176.200000114.1V87 G108 F109V87-A111 HydrophobicContact CB-CB 4.34Å; V87-A111 HydrophobicContact CG1-CB 4.45Å; V87-A111 HydrophobicContact CG2-CB 4.36Å; G108-A111 WeakPolarHBondContact O-CB 3.15Å; G108-A111 PolarHBondContact O-N 2.89Å; F109-A111 PolarHBondContact O-N 3Å
112F97Very high97.3Very high8 Ų840 Ų404%0.03522%0.221CC..  trans-61.3128.8174.4-72-83.5000110.7I86 V87 L92 L95 F109 S114 L115 L137I86-F112 HydrophobicContact CB-CZ 4.33Å; I86-F112 HydrophobicContact CD1-CZ 4.22Å; I86-F112 HydrophobicContact CG1-CE1 4.16Å; I86-F112 HydrophobicContact CG1-CZ 3.97Å; I86-F112 HydrophobicContact CG2-CE1 4.38Å; I86-F112 HydrophobicContact CG2-CE2 4.43Å; I86-F112 HydrophobicContact CG2-CZ 3.68Å; I86-F112 VanDerWaalsContact O-CE1 3.3Å; I86-F112 WeakPolarHBondContact O-CE1 2.91Å; V87-F112 HydrophobicContact CB-CD1 4.49Å; V87-F112 HydrophobicContact CG1-CD2 4.14Å; V87-F112 HydrophobicContact CG1-CE1 4.45Å; V87-F112 HydrophobicContact CG1-CE2 3.99Å; V87-F112 HydrophobicContact CG1-CG 4.44Å; V87-F112 HydrophobicContact CG1-CZ 4.17Å; L92-F112 HydrophobicContact CD2-CD1 4.25Å; L92-F112 HydrophobicContact CD2-CE1 3.68Å; L92-F112 HydrophobicContact CD2-CZ 4.42Å; L95-F112 HydrophobicContact CD2-CE2 4.35Å; L95-F112 HydrophobicContact CD2-CZ 3.89Å; F109-F112 HydrophobicContact CD1-CE2 4.31Å; F109-F112 HydrophobicContact CD2-CE2 4.18Å; F109-F112 HydrophobicContact CE1-CE2 4.16Å; F109-F112 HydrophobicContact CE2-CE2 4.05Å; F109-F112 HydrophobicContact CE2-CZ 4.43Å; F109-F112 HydrophobicContact CG-CE2 4.33Å; F109-F112 HydrophobicContact CZ-CE2 4.04Å; F109-F112 WeakPolarHBondContact O-CD2 3.1Å; F109-F112 WeakPolarHBondContact O-CE2 3.49Å; F112-S114 PolarHBondContact O-N 3.05Å; F112-L115 HydrophobicContact CB-CB 3.56Å; F112-L115 HydrophobicContact CB-CD2 4.4Å; F112-L115 HydrophobicContact CD2-CB 4.48Å; F112-L115 HydrophobicContact CD2-CD2 3.77Å; F112-L115 HydrophobicContact CE2-CD2 4.16Å; F112-L115 HydrophobicContact CG-CB 3.99Å; F112-L115 HydrophobicContact CG-CD2 4.06Å; F112-L137 HydrophobicContact CB-CD2 3.8Å; F112-L137 HydrophobicContact CD2-CD2 3.93Å; F112-L137 HydrophobicContact CG-CD2 4.37Å
113P95.7Very high97.3Very high67 Ų6740 Ų4044%0.43522%0.221SC..SBendtrans-78.3-18.6-175.929.2-34.8000114T90T90-P113 HydrophobicContact CG2-CG 4.38Å; T90-P113 WeakPolarHBondContact O-CG 3.25Å
114S97.4Very high97.3Very high45 Ų4538.2 Ų38.232%0.31521%0.206SC..SBendtrans-144.815.2-171.1-63.70000114.5L92 F112 E116L92-S114 CarbonylContact O-C 3.49Å; L92-S114 VanDerWaalsContact O-C 3.31Å; F112-S114 PolarHBondContact O-N 3.05Å; S114-E116 PolarHBondContact O-N 2.9Å
115L98.6Very high97.3Very high0 Ų034.3 Ų34.30%018%0.182CC..  trans-71.3118.7-176.9-169.271.9000110.8L92 L95 F112 L118 T139 L140L92-L115 HydrophobicContact CD2-CD1 4.26Å; L92-L115 HydrophobicContact CG-CD1 4.24Å; L92-L115 WeakPolarHBondContact O-CA 3.45Å; L92-L115 PolarHBondContact O-N 2.92Å; L95-L115 HydrophobicContact CB-CD1 3.76Å; F112-L115 HydrophobicContact CB-CB 3.56Å; F112-L115 HydrophobicContact CB-CD2 4.4Å; F112-L115 HydrophobicContact CD2-CB 4.48Å; F112-L115 HydrophobicContact CD2-CD2 3.77Å; F112-L115 HydrophobicContact CE2-CD2 4.16Å; F112-L115 HydrophobicContact CG-CB 3.99Å; F112-L115 HydrophobicContact CG-CD2 4.06Å; L115-L118 HydrophobicContact CD2-CB 4.13Å; L115-L118 HydrophobicContact CD2-CD1 4.36Å; L115-L118 HydrophobicContact CD2-CD2 4.49Å; L115-T139 PolarHBondContact N-OG1 3.42Å; L115-T139 CarbonylContact O-C 3.47Å; L115-T139 VanDerWaalsContact O-C 3.28Å; L115-T139 WeakPolarHBondContact O-CB 3.47Å; L115-T139 PolarHBondContact O-OG1 3.44Å; L115-L140 HydrophobicContact CD2-CD2 4.34Å; L115-L140 HydrophobicContact CG-CD2 4.2Å; L115-L140 PolarHBondContact O-N 3.17Å
116E98.7Very high97.3Very high54 Ų5438.6 Ų38.625%0.25220%0.201SC..  trans-103.7-32.4-178.8-66.4-177.1-142.500112.2R93 S114 R141 A142R93-E116 WeakPolarHBondContact O-CA 3.28Å; R93-E116 PolarHBondContact O-N 2.98Å; S114-E116 PolarHBondContact O-N 2.9Å; E116-R141 PolarHBondContact O-N 3Å; E116-R141 IonicContact OE2-NH1 3.05Å; E116-A142 PolarHBondContact O-N 3.07Å
117I98.9Very high97.2Very high67 Ų6740 Ų4034%0.34421%0.206SC..EExtended strand (participates in β ladder)trans-128.6122.9-176.4-56.9175.3000109.2R93 S94 L95 A142 Y144R93-I117 PolarHBondContact O-N 3.42Å; S94-I117 WeakPolarHBondContact CA-O 3.29Å; L95-I117 PolarHBondContact N-O 2.99Å; I117-A142 HydrophobicContact CG1-CB 4.29Å; I117-A142 HydrophobicContact CG2-CB 4.3Å; I117-Y144 HydrophobicContact CG2-CE2 4.24Å
118L98.8Very high97.3Very high0 Ų033.9 Ų33.90%019%0.193CC..EExtended strand (participates in β ladder)trans-127.2116.2175177.159.8000109.9L95 F109 L115 L120 F134 L137 L140 A142 L143 Y144L95-L118 HydrophobicContact CB-CD1 4.23Å; L95-L118 HydrophobicContact CD2-CD1 4.13Å; L95-L118 HydrophobicContact CG-CD1 4.21Å; F109-L118 HydrophobicContact CE1-CD1 4.16Å; F109-L118 HydrophobicContact CE1-CD2 3.83Å; F109-L118 HydrophobicContact CZ-CD1 4.18Å; L115-L118 HydrophobicContact CD2-CB 4.13Å; L115-L118 HydrophobicContact CD2-CD1 4.36Å; L115-L118 HydrophobicContact CD2-CD2 4.49Å; L118-L120 HydrophobicContact CD1-CD1 4.18Å; L118-L120 HydrophobicContact CD1-CD2 4.35Å; L118-L120 HydrophobicContact CD1-CG 3.94Å; L118-L120 HydrophobicContact CD2-CD1 3.8Å; L118-L120 HydrophobicContact CD2-CG 4.42Å; L118-L120 HydrophobicContact CG-CD1 3.93Å; L118-L120 HydrophobicContact CG-CG 4.01Å; L118-F134 HydrophobicContact CD2-CE2 3.93Å; L118-F134 HydrophobicContact CD2-CZ 4.01Å; L118-L137 HydrophobicContact CD2-CD1 4.2Å; L118-L140 HydrophobicContact CB-CD2 3.78Å; L118-A142 PolarHBondContact N-O 2.95Å; L118-L143 HydrophobicContact CB-CD1 4.21Å; L118-L143 HydrophobicContact CD2-CD1 3.96Å; L118-L143 HydrophobicContact CG-CD1 4.14Å; L118-Y144 PolarHBondContact O-N 2.83Å
119D98.8Very high97.4Very high25 Ų2532.9 Ų32.913%0.13418%0.182CC..EExtended strand (participates in β ladder)trans-109.9114.2174.4-173.4-3.9000110.6L95 N96 L97 G98 T121 Y144L95-D119 PolarHBondContact O-N 2.99Å; N96-D119 HydrophobicContact CB-CB 4.39Å; N96-D119 PolarHBondContact ND2-OD2 3.04Å; L97-D119 CarbonylContact C-O 3.09Å; L97-D119 WeakPolarHBondContact CA-O 3.31Å; L97-D119 PolarHBondContact N-O 3.39Å; G98-D119 PolarHBondContact N-O 3.23Å; D119-T121 WeakPolarHBondContact OD1-CB 3.48Å; D119-T121 PolarHBondContact OD1-N 2.91Å; D119-T121 PolarHBondContact OD1-OG1 3.39Å; D119-Y144 HydrophobicContact CB-CD2 4.08Å
120L98.6Very high97.4Very high0 Ų033.7 Ų33.70%019%0.186CC..  trans-120.818.8177.7-70167.4000111.1L97 L102 L105 L118 N123 L125 F134 Y144 L145 N148L97-L120 HydrophobicContact CB-CD2 3.94Å; L97-L120 HydrophobicContact CD1-CD2 3.95Å; L102-L120 HydrophobicContact CD1-CD2 3.83Å; L105-L120 HydrophobicContact CD1-CD1 3.94Å; L105-L120 HydrophobicContact CD2-CD2 4.11Å; L118-L120 HydrophobicContact CD1-CD1 4.18Å; L118-L120 HydrophobicContact CD1-CD2 4.35Å; L118-L120 HydrophobicContact CD1-CG 3.94Å; L118-L120 HydrophobicContact CD2-CD1 3.8Å; L118-L120 HydrophobicContact CD2-CG 4.42Å; L118-L120 HydrophobicContact CG-CD1 3.93Å; L118-L120 HydrophobicContact CG-CG 4.01Å; L120-N123 PolarHBondContact O-ND2 2.76Å; L120-L125 HydrophobicContact CB-CD1 3.98Å; L120-L125 HydrophobicContact CD1-CD1 3.96Å; L120-L125 HydrophobicContact CD2-CD1 4.15Å; L120-L125 HydrophobicContact CG-CD1 4.27Å; L120-F134 HydrophobicContact CD1-CE2 4.29Å; L120-F134 HydrophobicContact CD1-CZ 4.42Å; L120-Y144 CarbonylContact C-O 3.08Å; L120-Y144 WeakPolarHBondContact CA-O 3.46Å; L120-Y144 PolarHBondContact N-O 2.92Å; L120-L145 HydrophobicContact CB-CD2 3.93Å; L120-L145 HydrophobicContact CD1-CD2 3.93Å; L120-N148 PolarHBondContact O-ND2 2.72Å
121T98.2Very high97.4Very high17 Ų1734.5 Ų34.510%0.10419%0.191CC..  trans-58.9148.5-177.5-52.30000111.5G98 M99 D119 N123 Y144 S146G98-T121 CarbonylContact C-O 3.59Å; G98-T121 WeakPolarHBondContact CA-O 3.46Å; M99-T121 PolarHBondContact N-O 3.31Å; D119-T121 WeakPolarHBondContact OD1-CB 3.48Å; D119-T121 PolarHBondContact OD1-N 2.91Å; D119-T121 PolarHBondContact OD1-OG1 3.39Å; T121-N123 PolarHBondContact O-N 2.66Å; T121-N123 PolarHBondContact O-ND2 3.49Å; T121-Y144 PolarHBondContact N-O 2.61Å; T121-Y144 VanDerWaalsContact OG1-CB 3.32Å; T121-Y144 WeakPolarHBondContact OG1-CB 3.08Å; T121-S146 CarbonylContact C-O 3.4Å; T121-S146 WeakPolarHBondContact CA-O 3.29Å; T121-S146 WeakPolarHBondContact CG2-O 3.25Å
122Y97.4Very high97.1Very high75 Ų7539.8 Ų39.829%0.29421%0.211SC..SBendtrans58.647.4177-62.8-78.1000113.4M99 N100 S146 D147M99-Y122 WeakPolarHBondContact CA-O 3.48Å; M99-Y122 HydrophobicContact CG-CD2 3.79Å; M99-Y122 HydrophobicContact CG-CG 3.88Å; N100-Y122 PolarHBondContact N-O 3.31Å; Y122-S146 PolarHBondContact N-O 3.32Å; Y122-D147 WeakPolarHBondContact CA-O 3.3Å; Y122-D147 HydrophobicContact CD1-CB 3.49Å; Y122-D147 VanDerWaalsContact CD1-CB 3.49Å; Y122-D147 VanDerWaalsContact CD1-CG 3.46Å; Y122-D147 WeakPolarHBondContact CD1-OD2 3.41Å; Y122-D147 HydrophobicContact CE1-CB 3.63Å; Y122-D147 WeakPolarHBondContact CE1-OD2 3.47Å; Y122-D147 HydrophobicContact CG-CB 4.06Å; Y122-D147 PolarHBondContact N-O 2.88Å
123N97.7Very high97Very high0 Ų041.1 Ų41.10%022%0.219CC..SBendtrans-120.4-174.9171.8-80.5-76.7000110.7L97 N100 K101 L102 L120 T121 L125 D147 N148 K269L97-N123 PolarHBondContact O-ND2 3.35Å; N100-N123 WeakPolarHBondContact CA-OD1 3.16Å; N100-N123 WeakPolarHBondContact CB-OD1 3.48Å; N100-N123 PolarHBondContact N-OD1 3.04Å; N100-N123 PolarHBondContact O-OD1 2.85Å; K101-N123 PolarHBondContact N-OD1 2.89Å; L102-N123 HydrophobicContact CB-CB 4.18Å; L102-N123 VanDerWaalsContact CB-OD1 3.32Å; L102-N123 WeakPolarHBondContact CB-OD1 3.4Å; L102-N123 WeakPolarHBondContact CG-OD1 3.19Å; L102-N123 PolarHBondContact N-OD1 3.47Å; L120-N123 PolarHBondContact O-ND2 2.76Å; T121-N123 PolarHBondContact O-N 2.66Å; T121-N123 PolarHBondContact O-ND2 3.49Å; N123-L125 HydrophobicContact CB-CD1 4.37Å; N123-L125 HydrophobicContact CB-CG 4.13Å; N123-D147 PolarHBondContact N-O 2.9Å; N123-N148 WeakPolarHBondContact CA-OD1 3.37Å; N123-N148 VanDerWaalsContact CB-OD1 3.24Å; N123-N148 WeakPolarHBondContact CB-OD1 3.21Å; N123-N148 PolarHBondContact N-OD1 2.97Å; N123-N148 PolarHBondContact O-OD1 3.23Å; N123-N148 VanDerWaalsContact O-OD1 3.05Å; N123-K269 WeakPolarHBondContact O-CE 3.25Å; N123-K269 PolarHBondContact O-NZ 3.49Å
124N96.9Very high97.1Very high30 Ų3038 Ų3816%0.1620%0.198CC..  trans-108.134.8178.8-52.4-54.6000111.4L102 S271 R272L102-N124 CarbonylContact O-C 3.45Å; L102-N124 VanDerWaalsContact O-CA 3.3Å; L102-N124 WeakPolarHBondContact O-CA 3.46Å; L102-N124 WeakPolarHBondContact O-CB 3.31Å; L102-N124 PolarHBondContact O-N 3.07Å; N124-S271 WeakPolarHBondContact OD1-CB 3.48Å; N124-S271 PolarHBondContact OD1-OG 3.14Å; N124-R272 VanDerWaalsContact OD1-CG 3.27Å; N124-R272 WeakPolarHBondContact OD1-CG 3.48Å
125L97.7Very high97Very high0 Ų036.5 Ų36.50%019%0.187CC..  trans-82.1146.5-177.3-60171.6000110.9L102 L105 L120 N123 N148 D149 F150L102-L125 HydrophobicContact CB-CD2 4.14Å; L102-L125 HydrophobicContact CB-CG 4.5Å; L105-L125 HydrophobicContact CD2-CD2 4.45Å; L105-L125 HydrophobicContact CG-CD2 4.2Å; L120-L125 HydrophobicContact CB-CD1 3.98Å; L120-L125 HydrophobicContact CD1-CD1 3.96Å; L120-L125 HydrophobicContact CD2-CD1 4.15Å; L120-L125 HydrophobicContact CG-CD1 4.27Å; N123-L125 HydrophobicContact CB-CD1 4.37Å; N123-L125 HydrophobicContact CB-CG 4.13Å; L125-N148 HydrophobicContact CB-CB 4.49Å; L125-N148 WeakPolarHBondContact CB-OD1 3.41Å; L125-N148 PolarHBondContact N-OD1 2.89Å; L125-N148 WeakPolarHBondContact O-CB 3.35Å; L125-D149 CarbonylContact O-C 3.24Å; L125-D149 WeakPolarHBondContact O-CA 3.41Å; L125-D149 PolarHBondContact O-N 2.94Å; L125-F150 HydrophobicContact CB-CE2 3.97Å; L125-F150 HydrophobicContact CB-CZ 4Å
126K96.9Very high97Very high95 Ų9540.3 Ų40.341%0.41321%0.207SC..  trans-133.3179.1170.153.4169.8172.11600109.9T128 S129 D149 F150K126-T128 VanDerWaalsContact C-N 3.26Å; K126-T128 WeakPolarHBondContact CD-OG1 3.43Å; K126-T128 WeakPolarHBondContact CE-OG1 3.37Å; K126-T128 PolarHBondContact NZ-OG1 2.94Å; K126-T128 PolarHBondContact O-N 3.02Å; K126-S129 VanDerWaalsContact CG-OG 3.25Å; K126-S129 WeakPolarHBondContact CG-OG 3.24Å; K126-S129 PolarHBondContact N-OG 2.78Å; K126-S129 WeakPolarHBondContact O-CA 3.35Å; K126-S129 WeakPolarHBondContact O-CB 3.49Å; K126-S129 PolarHBondContact O-N 3.4Å; K126-S129 PolarHBondContact O-OG 2.92Å; K126-D149 HydrophobicContact CB-CB 4.44Å; K126-D149 WeakPolarHBondContact CB-O 3.3Å; K126-F150 WeakPolarHBondContact O-CE1 3.32Å
127E95.8Very high96.9Very high48 Ų4837.8 Ų37.822%0.22420%0.195CC..G310 helixtrans-56-38.5-179.366.1-66.4150.100113S129 L130 F150 E151 P154E127-S129 PolarHBondContact O-N 3.38Å; E127-L130 PolarHBondContact O-N 2.81Å; E127-F150 HydrophobicContact CB-CD1 4.37Å; E127-E151 PolarHBondContact OE2-N 3.24Å; E127-P154 HydrophobicContact CB-CG 4.29Å
128T95.8Very high96.8Very high96 Ų9638.1 Ų38.159%0.58920%0.2SC*.G310 helixtrans-76.6-7.7176.771.10000113.9K126 L130K126-T128 VanDerWaalsContact C-N 3.26Å; K126-T128 WeakPolarHBondContact CD-OG1 3.43Å; K126-T128 WeakPolarHBondContact CE-OG1 3.37Å; K126-T128 PolarHBondContact NZ-OG1 2.94Å; K126-T128 PolarHBondContact O-N 3.02Å; T128-L130 VanDerWaalsContact C-N 3.35Å
129S96.3Very high96.7Very high5 Ų540.1 Ų40.14%0.03521%0.213CC..G310 helixtrans-82.5-16.1177.6-58.90000112.4S103 L105 K126 E127S103-S129 WeakPolarHBondContact O-CB 3.44Å; S103-S129 PolarHBondContact O-OG 2.99Å; L105-S129 PolarHBondContact N-O 3.32Å; K126-S129 VanDerWaalsContact CG-OG 3.25Å; K126-S129 WeakPolarHBondContact CG-OG 3.24Å; K126-S129 PolarHBondContact N-OG 2.78Å; K126-S129 WeakPolarHBondContact O-CA 3.35Å; K126-S129 WeakPolarHBondContact O-CB 3.49Å; K126-S129 PolarHBondContact O-N 3.4Å; K126-S129 PolarHBondContact O-OG 2.92Å; E127-S129 PolarHBondContact O-N 3.38Å
130L96.9Very high96.7Very high18 Ų1839 Ų399%0.09421%0.206CC..SBendtrans-86.7132.7179.1-55.6-177.7000109.9L105 E127 T128 F134 F135 F150L105-L130 HydrophobicContact CD1-CD2 3.72Å; E127-L130 PolarHBondContact O-N 2.81Å; T128-L130 VanDerWaalsContact C-N 3.35Å; L130-F134 HydrophobicContact CB-CB 4.1Å; L130-F134 HydrophobicContact CB-CG 4.14Å; L130-F134 HydrophobicContact CD1-CD1 3.85Å; L130-F134 HydrophobicContact CD1-CE1 4.04Å; L130-F134 HydrophobicContact CD1-CG 4.29Å; L130-F134 HydrophobicContact CD2-CD1 4.31Å; L130-F134 HydrophobicContact CD2-CD2 3.94Å; L130-F134 HydrophobicContact CD2-CE1 4.28Å; L130-F134 HydrophobicContact CD2-CE2 3.91Å; L130-F134 HydrophobicContact CD2-CG 4.14Å; L130-F134 HydrophobicContact CD2-CZ 4.08Å; L130-F134 HydrophobicContact CG-CD1 4.46Å; L130-F134 HydrophobicContact CG-CG 4.43Å; L130-F135 HydrophobicContact CD1-CE2 4.37Å; L130-F135 HydrophobicContact CD1-CZ 3.94Å; L130-F150 HydrophobicContact CD1-CE1 3.74Å; L130-F150 HydrophobicContact CD1-CZ 4.12Å; L130-F150 HydrophobicContact CD2-CE1 4.47Å; L130-F150 HydrophobicContact CD2-CZ 4.14Å; L130-F150 HydrophobicContact CG-CE1 4.03Å; L130-F150 HydrophobicContact CG-CZ 4.21Å
131P95.6Very high96.7Very high19 Ų1944.4 Ų44.412%0.12323%0.227CC..  trans-68.9156172.830.2-37.5000111F109 N133 F134F109-P131 HydrophobicContact CB-CG 3.91Å; P131-N133 PolarHBondContact O-N 2.98Å; P131-F134 HydrophobicContact CG-CB 4.13Å; P131-F134 WeakPolarHBondContact O-CB 3.34Å; P131-F134 PolarHBondContact O-N 2.79Å
132D90.7Very high96.8Very high166 Ų16643.9 Ų43.989%0.88822%0.224SC*.THydrogen-bonded Turntrans-54-31.2-178.4-61.3-26000113.7
133N95.2Very high96.8Very high37 Ų3740.3 Ų40.320%0.19821%0.21CC..THydrogen-bonded Turntrans-87.2-0.4179.781-37.9000114G108 G110 P131 F135 N136G108-N133 VanDerWaalsContact C-ND2 3.33Å; G108-N133 VanDerWaalsContact CA-ND2 3.32Å; G108-N133 WeakPolarHBondContact CA-ND2 3.37Å; G108-N133 PolarHBondContact N-OD1 2.98Å; G108-N133 PolarHBondContact O-ND2 3.28Å; G110-N133 WeakPolarHBondContact CA-O 3.19Å; G110-N133 PolarHBondContact N-ND2 3.32Å; G110-N133 PolarHBondContact N-OD1 3.45Å; P131-N133 PolarHBondContact O-N 2.98Å; N133-F135 PolarHBondContact O-N 3.46Å; N133-F135 VanDerWaalsContact O-N 3.13Å; N133-N136 WeakPolarHBondContact O-CB 3.33Å; N133-N136 PolarHBondContact O-N 2.97Å
134F97.6Very high96.9Very high0 Ų043.7 Ų43.70%022%0.223CC..G310 helixtrans-50.8-41.9-176.2-179.6-96.3000112.4L105 F109 L118 L120 L130 P131 N136 L137 L143L105-F134 HydrophobicContact CD1-CD2 3.75Å; L105-F134 HydrophobicContact CD1-CE2 3.53Å; F109-F134 HydrophobicContact CD1-CD2 4.07Å; F109-F134 HydrophobicContact CD1-CE2 4.12Å; F109-F134 HydrophobicContact CE1-CE2 4.3Å; L118-F134 HydrophobicContact CD2-CE2 3.93Å; L118-F134 HydrophobicContact CD2-CZ 4.01Å; L120-F134 HydrophobicContact CD1-CE2 4.29Å; L120-F134 HydrophobicContact CD1-CZ 4.42Å; L130-F134 HydrophobicContact CB-CB 4.1Å; L130-F134 HydrophobicContact CB-CG 4.14Å; L130-F134 HydrophobicContact CD1-CD1 3.85Å; L130-F134 HydrophobicContact CD1-CE1 4.04Å; L130-F134 HydrophobicContact CD1-CG 4.29Å; L130-F134 HydrophobicContact CD2-CD1 4.31Å; L130-F134 HydrophobicContact CD2-CD2 3.94Å; L130-F134 HydrophobicContact CD2-CE1 4.28Å; L130-F134 HydrophobicContact CD2-CE2 3.91Å; L130-F134 HydrophobicContact CD2-CG 4.14Å; L130-F134 HydrophobicContact CD2-CZ 4.08Å; L130-F134 HydrophobicContact CG-CD1 4.46Å; L130-F134 HydrophobicContact CG-CG 4.43Å; P131-F134 HydrophobicContact CG-CB 4.13Å; P131-F134 WeakPolarHBondContact O-CB 3.34Å; P131-F134 PolarHBondContact O-N 2.79Å; F134-N136 PolarHBondContact O-N 2.92Å; F134-L137 HydrophobicContact CE2-CD1 4.43Å; F134-L137 WeakPolarHBondContact O-CD1 3.36Å; F134-L137 VanDerWaalsContact O-CG 3.3Å; F134-L137 WeakPolarHBondContact O-CG 3.4Å; F134-L137 PolarHBondContact O-N 3.27Å; F134-L143 HydrophobicContact CE1-CD2 4.22Å; F134-L143 HydrophobicContact CZ-CD1 4.12Å; F134-L143 HydrophobicContact CZ-CD2 4.48Å
135F96.6Very high97Very high15 Ų1542.5 Ų42.57%0.06622%0.217CC..G310 helixtrans-809.5179.7-57.4-72.2000114.8L130 N133 L137 P154 G156 I157 K159 L160L130-F135 HydrophobicContact CD1-CE2 4.37Å; L130-F135 HydrophobicContact CD1-CZ 3.94Å; N133-F135 PolarHBondContact O-N 3.46Å; N133-F135 VanDerWaalsContact O-N 3.13Å; F135-L137 VanDerWaalsContact C-N 3.26Å; F135-P154 HydrophobicContact CE2-CB 3.7Å; F135-P154 HydrophobicContact CE2-CG 3.88Å; F135-P154 HydrophobicContact CZ-CB 4.1Å; F135-P154 HydrophobicContact CZ-CG 4.09Å; F135-G156 WeakPolarHBondContact CB-O 3.46Å; F135-G156 WeakPolarHBondContact CG-O 2.89Å; F135-I157 VanDerWaalsContact CD1-CA 3.49Å; F135-I157 HydrophobicContact CD1-CB 4.28Å; F135-I157 HydrophobicContact CD1-CD1 4.19Å; F135-I157 HydrophobicContact CE1-CB 3.95Å; F135-I157 HydrophobicContact CE1-CD1 3.78Å; F135-I157 HydrophobicContact CE1-CG1 4.48Å; F135-K159 HydrophobicContact CB-CB 4.45Å; F135-K159 HydrophobicContact CB-CD 4.33Å; F135-K159 VanDerWaalsContact O-CB 3.28Å; F135-K159 WeakPolarHBondContact O-CB 3.19Å; F135-L160 HydrophobicContact CD1-CD1 4.26Å; F135-L160 HydrophobicContact CD1-CG 4.34Å
136N97.1Very high97Very high80 Ų8043.2 Ų43.243%0.42822%0.222SC..G310 helixtrans-84.80.4169.9-65.5-5.8000112.6N133 F134 V138N133-N136 WeakPolarHBondContact O-CB 3.33Å; N133-N136 PolarHBondContact O-N 2.97Å; F134-N136 PolarHBondContact O-N 2.92Å; N136-V138 PolarHBondContact O-N 3.47Å
137L97.5Very high97Very high0 Ų040.1 Ų40.10%021%0.21CC..  trans-71.657173.5-63.7170000112F112 L118 F134 F135 T139 L140 L160F112-L137 HydrophobicContact CB-CD2 3.8Å; F112-L137 HydrophobicContact CD2-CD2 3.93Å; F112-L137 HydrophobicContact CG-CD2 4.37Å; L118-L137 HydrophobicContact CD2-CD1 4.2Å; F134-L137 HydrophobicContact CE2-CD1 4.43Å; F134-L137 WeakPolarHBondContact O-CD1 3.36Å; F134-L137 VanDerWaalsContact O-CG 3.3Å; F134-L137 WeakPolarHBondContact O-CG 3.4Å; F134-L137 PolarHBondContact O-N 3.27Å; F135-L137 VanDerWaalsContact C-N 3.26Å; L137-T139 PolarHBondContact O-N 3.29Å; L137-L140 HydrophobicContact CB-CD1 3.53Å; L137-L140 HydrophobicContact CB-CG 3.75Å; L137-L140 HydrophobicContact CD1-CD1 3.73Å; L137-L140 HydrophobicContact CD1-CG 4.44Å; L137-L140 HydrophobicContact CG-CD1 4.26Å; L137-L140 WeakPolarHBondContact O-CB 3.11Å; L137-L140 PolarHBondContact O-N 3.22Å; L137-L160 HydrophobicContact CB-CD2 4.27Å; L137-L160 WeakPolarHBondContact O-CD2 3.26Å
138V96.6Very high97.1Very high74 Ų7437.8 Ų37.845%0.44820%0.199SC..THydrogen-bonded Turntrans-62.6-14.2-173.5-63.40000113.5N136 N162N136-V138 PolarHBondContact O-N 3.47Å; V138-N162 PolarHBondContact O-ND2 3.47Å
139T97.9Very high97.1Very high43 Ų4334.5 Ų34.526%0.26418%0.178SC..THydrogen-bonded Turntrans-80.3-13.3174.352.50000113.5L115 L137 R141L115-T139 PolarHBondContact N-OG1 3.42Å; L115-T139 CarbonylContact O-C 3.47Å; L115-T139 VanDerWaalsContact O-C 3.28Å; L115-T139 WeakPolarHBondContact O-CB 3.47Å; L115-T139 PolarHBondContact O-OG1 3.44Å; L137-T139 PolarHBondContact O-N 3.29Å; T139-R141 PolarHBondContact O-N 3.15Å
140L98.5Very high97.1Very high0 Ų034.3 Ų34.30%018%0.176CC..  trans-61.8134.6-177.6-80.3175.5000112L115 L118 L137 L160 N162 L163L115-L140 HydrophobicContact CD2-CD2 4.34Å; L115-L140 HydrophobicContact CG-CD2 4.2Å; L115-L140 PolarHBondContact O-N 3.17Å; L118-L140 HydrophobicContact CB-CD2 3.78Å; L137-L140 HydrophobicContact CB-CD1 3.53Å; L137-L140 HydrophobicContact CB-CG 3.75Å; L137-L140 HydrophobicContact CD1-CD1 3.73Å; L137-L140 HydrophobicContact CD1-CG 4.44Å; L137-L140 HydrophobicContact CG-CD1 4.26Å; L137-L140 WeakPolarHBondContact O-CB 3.11Å; L137-L140 PolarHBondContact O-N 3.22Å; L140-L160 HydrophobicContact CD1-CD1 4.16Å; L140-N162 CarbonylContact O-C 3.4Å; L140-L163 HydrophobicContact CB-CD1 4.04Å; L140-L163 WeakPolarHBondContact O-CA 3.4Å; L140-L163 PolarHBondContact O-N 2.69Å
141R98.7Very high97.1Very high114 Ų11437 Ų3743%0.4319%0.188SC..SBendtrans-115.2-28.6174.2-61.9179.568.4-162.5-0.6111.5E116 T139 E164 I165E116-R141 PolarHBondContact O-N 3Å; E116-R141 IonicContact OE2-NH1 3.05Å; T139-R141 PolarHBondContact O-N 3.15Å; R141-E164 IonicContact CZ-OE1 3.91Å; R141-E164 VanDerWaalsContact CZ-OE1 3.25Å; R141-E164 IonicContact NE-OE1 2.71Å; R141-E164 PolarHBondContact NE-OE1 2.67Å; R141-E164 IonicContact NH2-OE1 2.77Å; R141-E164 PolarHBondContact NH2-OE1 3.29Å; R141-E164 IonicContact NH2-OE2 3.98Å; R141-E164 WeakPolarHBondContact O-CA 3.38Å; R141-E164 PolarHBondContact O-N 3.05Å; R141-I165 PolarHBondContact O-N 3.19Å
142A98.8Very high97.1Very high6 Ų638.4 Ų38.45%0.0520%0.198CC..EExtended strand (participates in β ladder)trans-136.5126.917500000111.5E116 I117 L118 Y144 I165E116-A142 PolarHBondContact O-N 3.07Å; I117-A142 HydrophobicContact CG1-CB 4.29Å; I117-A142 HydrophobicContact CG2-CB 4.3Å; L118-A142 PolarHBondContact N-O 2.95Å; A142-Y144 HydrophobicContact CB-CE2 3.71Å; A142-I165 WeakPolarHBondContact CA-O 3.22Å; A142-I165 HydrophobicContact CB-CB 3.99Å; A142-I165 HydrophobicContact CB-CD1 4.38Å
143L98.8Very high97.4Very high0 Ų030.9 Ų30.90%016%0.158CC..EExtended strand (participates in β ladder)trans-126.2114.8177.2177.459000109.6L118 F134 L145 I157 L160 L163 I165 L166 A167L118-L143 HydrophobicContact CB-CD1 4.21Å; L118-L143 HydrophobicContact CD2-CD1 3.96Å; L118-L143 HydrophobicContact CG-CD1 4.14Å; F134-L143 HydrophobicContact CE1-CD2 4.22Å; F134-L143 HydrophobicContact CZ-CD1 4.12Å; F134-L143 HydrophobicContact CZ-CD2 4.48Å; L143-L145 HydrophobicContact CD1-CD1 4.27Å; L143-L145 HydrophobicContact CD1-CD2 4.39Å; L143-L145 HydrophobicContact CD1-CG 4.03Å; L143-L145 HydrophobicContact CD2-CD1 3.87Å; L143-L145 HydrophobicContact CD2-CG 4.48Å; L143-L145 HydrophobicContact CG-CD1 3.97Å; L143-L145 HydrophobicContact CG-CG 4.04Å; L143-I157 HydrophobicContact CD2-CD1 4.22Å; L143-L160 HydrophobicContact CD2-CD1 4.01Å; L143-L163 HydrophobicContact CB-CD1 3.8Å; L143-L163 HydrophobicContact CB-CD2 4.38Å; L143-I165 PolarHBondContact N-O 3.49Å; L143-L166 HydrophobicContact CB-CD1 4.38Å; L143-L166 HydrophobicContact CD2-CD1 4.16Å; L143-L166 HydrophobicContact CG-CD1 4.34Å; L143-A167 PolarHBondContact O-N 3.47Å
144Y98.8Very high97.4Very high72 Ų7230.8 Ų30.828%0.28216%0.159SC..EExtended strand (participates in β ladder)trans-108.8116.8177.1-52.2-91.5000110.4I117 L118 D119 L120 T121 A142 I165 A167I117-Y144 HydrophobicContact CG2-CE2 4.24Å; L118-Y144 PolarHBondContact O-N 2.83Å; D119-Y144 HydrophobicContact CB-CD2 4.08Å; L120-Y144 CarbonylContact C-O 3.08Å; L120-Y144 WeakPolarHBondContact CA-O 3.46Å; L120-Y144 PolarHBondContact N-O 2.92Å; T121-Y144 PolarHBondContact N-O 2.61Å; T121-Y144 VanDerWaalsContact OG1-CB 3.32Å; T121-Y144 WeakPolarHBondContact OG1-CB 3.08Å; A142-Y144 HydrophobicContact CB-CE2 3.71Å; Y144-I165 HydrophobicContact CE1-CG2 3.84Å; Y144-A167 HydrophobicContact CD1-CB 3.63Å; Y144-A167 HydrophobicContact CE1-CB 4.35Å; Y144-A167 HydrophobicContact CG-CB 4.43Å
145L98.5Very high97.4Very high4 Ų434.3 Ų34.32%0.02118%0.182CC..  trans-12717.2179.9-69.7169.4000111.1L120 L143 N148 F150 A167 L168 N171L120-L145 HydrophobicContact CB-CD2 3.93Å; L120-L145 HydrophobicContact CD1-CD2 3.93Å; L143-L145 HydrophobicContact CD1-CD1 4.27Å; L143-L145 HydrophobicContact CD1-CD2 4.39Å; L143-L145 HydrophobicContact CD1-CG 4.03Å; L143-L145 HydrophobicContact CD2-CD1 3.87Å; L143-L145 HydrophobicContact CD2-CG 4.48Å; L143-L145 HydrophobicContact CG-CD1 3.97Å; L143-L145 HydrophobicContact CG-CG 4.04Å; L145-N148 WeakPolarHBondContact O-CB 3.47Å; L145-N148 PolarHBondContact O-ND2 3.01Å; L145-F150 HydrophobicContact CB-CE2 4.18Å; L145-F150 HydrophobicContact CD1-CE2 4.31Å; L145-F150 HydrophobicContact CD1-CZ 4.31Å; L145-F150 HydrophobicContact CD2-CE2 3.83Å; L145-F150 HydrophobicContact CD2-CZ 4Å; L145-F150 HydrophobicContact CG-CE2 4.34Å; L145-A167 CarbonylContact C-O 3.55Å; L145-A167 WeakPolarHBondContact CA-O 3.24Å; L145-A167 PolarHBondContact N-O 3.27Å; L145-L168 HydrophobicContact CB-CD2 3.94Å; L145-L168 HydrophobicContact CD1-CD2 4.04Å; L145-N171 PolarHBondContact O-ND2 3.3Å
146S98Very high97.4Very high15 Ų1534.5 Ų34.511%0.10519%0.189CC..  trans-66.6151.8-176.3-41.80000111.4T121 Y122 N148 A167 R169T121-S146 CarbonylContact C-O 3.4Å; T121-S146 WeakPolarHBondContact CA-O 3.29Å; T121-S146 WeakPolarHBondContact CG2-O 3.25Å; Y122-S146 PolarHBondContact N-O 3.32Å; S146-N148 PolarHBondContact O-ND2 2.93Å; S146-A167 PolarHBondContact N-O 2.68Å; S146-A167 WeakPolarHBondContact OG-CB 3.5Å; S146-A167 PolarHBondContact OG-O 3.28Å; S146-R169 CarbonylContact C-O 3.53Å; S146-R169 WeakPolarHBondContact CA-O 3.15Å; S146-R169 WeakPolarHBondContact CB-O 3.37Å; S146-R169 PolarHBondContact OG-N 2.89Å
147D97Very high97.4Very high30 Ų3030.9 Ų30.916%0.1617%0.169CC..SBendtrans48.562.6-173.2-159.8-22.6000111.6Y122 N123 R169 D170 K269Y122-D147 WeakPolarHBondContact CA-O 3.3Å; Y122-D147 HydrophobicContact CD1-CB 3.49Å; Y122-D147 VanDerWaalsContact CD1-CB 3.49Å; Y122-D147 VanDerWaalsContact CD1-CG 3.46Å; Y122-D147 WeakPolarHBondContact CD1-OD2 3.41Å; Y122-D147 HydrophobicContact CE1-CB 3.63Å; Y122-D147 WeakPolarHBondContact CE1-OD2 3.47Å; Y122-D147 HydrophobicContact CG-CB 4.06Å; Y122-D147 PolarHBondContact N-O 2.88Å; N123-D147 PolarHBondContact N-O 2.9Å; D147-R169 PolarHBondContact N-O 2.88Å; D147-D170 WeakPolarHBondContact CA-O 3.26Å; D147-D170 HydrophobicContact CB-CB 4.25Å; D147-K269 VanDerWaalsContact O-CE 3.26Å; D147-K269 WeakPolarHBondContact O-CE 3.38Å; D147-K269 PolarHBondContact O-NZ 3.14Å; D147-K269 WeakPolarHBondContact OD1-CD 3.23Å; D147-K269 WeakPolarHBondContact OD1-CE 3.42Å; D147-K269 IonicContact OD1-NZ 2.7Å; D147-K269 PolarHBondContact OD1-NZ 3.49Å
148N97.4Very high97.5Very high0 Ų031.1 Ų31.10%017%0.171CC..SBendtrans-125.6-167.7167-84.9-75.4000108.3L120 N123 L125 L145 S146 F150 N171 K266 K269L120-N148 PolarHBondContact O-ND2 2.72Å; N123-N148 WeakPolarHBondContact CA-OD1 3.37Å; N123-N148 VanDerWaalsContact CB-OD1 3.24Å; N123-N148 WeakPolarHBondContact CB-OD1 3.21Å; N123-N148 PolarHBondContact N-OD1 2.97Å; N123-N148 PolarHBondContact O-OD1 3.23Å; N123-N148 VanDerWaalsContact O-OD1 3.05Å; L125-N148 HydrophobicContact CB-CB 4.49Å; L125-N148 WeakPolarHBondContact CB-OD1 3.41Å; L125-N148 PolarHBondContact N-OD1 2.89Å; L125-N148 WeakPolarHBondContact O-CB 3.35Å; L145-N148 WeakPolarHBondContact O-CB 3.47Å; L145-N148 PolarHBondContact O-ND2 3.01Å; S146-N148 PolarHBondContact O-ND2 2.93Å; N148-F150 HydrophobicContact CB-CD2 3.57Å; N148-F150 HydrophobicContact CB-CE2 3.65Å; N148-N171 VanDerWaalsContact CA-OD1 3.24Å; N148-N171 WeakPolarHBondContact CA-OD1 3.42Å; N148-N171 WeakPolarHBondContact CB-OD1 3.18Å; N148-N171 PolarHBondContact N-OD1 3.16Å; N148-N171 PolarHBondContact O-OD1 3.3Å; N148-K266 PolarHBondContact O-NZ 2.9Å; N148-K269 VanDerWaalsContact CA-NZ 3.28Å
149D96.7Very high97.5Very high27 Ų2732.9 Ų32.914%0.14417%0.173CC..  trans-114.630.8-176.2-59.6-41.1000112.3L125 K126 E151 N171 K266 K269 R272L125-D149 CarbonylContact O-C 3.24Å; L125-D149 WeakPolarHBondContact O-CA 3.41Å; L125-D149 PolarHBondContact O-N 2.94Å; K126-D149 HydrophobicContact CB-CB 4.44Å; K126-D149 WeakPolarHBondContact CB-O 3.3Å; D149-E151 PolarHBondContact O-N 2.94Å; D149-N171 PolarHBondContact N-OD1 3.36Å; D149-K266 WeakPolarHBondContact OD1-CD 3.16Å; D149-K266 IonicContact OD1-NZ 3.74Å; D149-K266 PolarHBondContact OD1-NZ 3.39Å; D149-K269 IonicContact OD1-NZ 2.64Å; D149-R272 IonicContact OD1-NH2 2.78Å; D149-R272 PolarHBondContact OD1-NH2 3.29Å; D149-R272 IonicContact OD2-CZ 2.72Å; D149-R272 IonicContact OD2-NH2 3.21Å; D149-R272 PolarHBondContact OD2-NH2 3.45Å
150F97.4Very high97.5Very high0 Ų030.8 Ų30.80%016%0.161CC..  trans-71.8125.2177.9-69.7-85.7000111.3L125 K126 E127 L130 L145 N148 I153 N171 D172 L173L125-F150 HydrophobicContact CB-CE2 3.97Å; L125-F150 HydrophobicContact CB-CZ 4Å; K126-F150 WeakPolarHBondContact O-CE1 3.32Å; E127-F150 HydrophobicContact CB-CD1 4.37Å; L130-F150 HydrophobicContact CD1-CE1 3.74Å; L130-F150 HydrophobicContact CD1-CZ 4.12Å; L130-F150 HydrophobicContact CD2-CE1 4.47Å; L130-F150 HydrophobicContact CD2-CZ 4.14Å; L130-F150 HydrophobicContact CG-CE1 4.03Å; L130-F150 HydrophobicContact CG-CZ 4.21Å; L145-F150 HydrophobicContact CB-CE2 4.18Å; L145-F150 HydrophobicContact CD1-CE2 4.31Å; L145-F150 HydrophobicContact CD1-CZ 4.31Å; L145-F150 HydrophobicContact CD2-CE2 3.83Å; L145-F150 HydrophobicContact CD2-CZ 4Å; L145-F150 HydrophobicContact CG-CE2 4.34Å; N148-F150 HydrophobicContact CB-CD2 3.57Å; N148-F150 HydrophobicContact CB-CE2 3.65Å; F150-I153 HydrophobicContact CB-CD1 4.15Å; F150-I153 HydrophobicContact CD1-CD1 3.74Å; F150-I153 HydrophobicContact CE1-CD1 4.33Å; F150-I153 HydrophobicContact CG-CD1 3.93Å; F150-N171 HydrophobicContact CB-CB 4.36Å; F150-N171 WeakPolarHBondContact CD2-OD1 3.48Å; F150-N171 PolarHBondContact N-OD1 2.91Å; F150-D172 CarbonylContact O-C 3.51Å; F150-D172 VanDerWaalsContact O-C 3.23Å; F150-D172 WeakPolarHBondContact O-CA 3.43Å; F150-D172 PolarHBondContact O-N 2.99Å; F150-L173 HydrophobicContact CB-CD2 3.84Å; F150-L173 PolarHBondContact O-N 3.1Å
151E95.6Very high97.5Very high75 Ų7534 Ų3435%0.3518%0.18SC..SBendtrans-96-23.8169.5-66.2-164.9-116.700112.3E127 D149 D172 L173 V174 R195 I263E127-E151 PolarHBondContact OE2-N 3.24Å; D149-E151 PolarHBondContact O-N 2.94Å; E151-D172 HydrophobicContact CG-CB 4.07Å; E151-L173 WeakPolarHBondContact O-CA 3.43Å; E151-V174 PolarHBondContact O-N 3.19Å; E151-R195 IonicContact OE2-NH1 3.01Å; E151-R195 PolarHBondContact OE2-NH1 3.16Å; E151-R195 VanDerWaalsContact OE2-NH1 3.15Å; E151-I263 WeakPolarHBondContact OE1-CD1 3.24Å
152C95.4Very high97.4Very high48 Ų4830.7 Ų30.732%0.32417%0.171SC..BIsolated β-bridgetrans-145.4163.6169.269.10000110.3
153I96.9Very high97.4Very high9 Ų930.4 Ų30.45%0.04617%0.168CC..  trans-108.7126168-61.9-58.9000108F150 I157 L168 L173 P177F150-I153 HydrophobicContact CB-CD1 4.15Å; F150-I153 HydrophobicContact CD1-CD1 3.74Å; F150-I153 HydrophobicContact CE1-CD1 4.33Å; F150-I153 HydrophobicContact CG-CD1 3.93Å; I153-I157 HydrophobicContact CG2-CB 3.8Å; I153-I157 HydrophobicContact CG2-CD1 4.38Å; I153-I157 HydrophobicContact CG2-CG1 4.14Å; I153-I157 HydrophobicContact CG2-CG2 4.05Å; I153-L168 HydrophobicContact CD1-CD2 3.59Å; I153-L168 HydrophobicContact CG1-CD1 4Å; I153-L168 HydrophobicContact CG1-CD2 3.95Å; I153-L173 HydrophobicContact CD1-CD2 4.16Å; I153-L173 HydrophobicContact CG1-CD1 4.41Å; I153-L173 HydrophobicContact CG1-CD2 3.85Å; I153-P177 WeakPolarHBondContact O-CD 3.37Å; I153-P177 WeakPolarHBondContact O-CG 3.43Å
154P96.3Very high97.4Very high34 Ų3431.9 Ų31.922%0.22118%0.175CC..  trans-58.5147.4179.5-26.133000113.1E127 F135 G156 I157E127-P154 HydrophobicContact CB-CG 4.29Å; F135-P154 HydrophobicContact CE2-CB 3.7Å; F135-P154 HydrophobicContact CE2-CG 3.88Å; F135-P154 HydrophobicContact CZ-CB 4.1Å; F135-P154 HydrophobicContact CZ-CG 4.09Å; P154-G156 PolarHBondContact O-N 2.75Å; P154-I157 WeakPolarHBondContact O-CG2 3.29Å; P154-I157 PolarHBondContact O-N 2.78Å
155P96.8Very high97.4Very high74 Ų7430 Ų3048%0.48117%0.169SC..G310 helixtrans-50.7-25.5175.2-32.738.6000115.1I157 G158 P177 E179P155-I157 PolarHBondContact O-N 3.31Å; P155-G158 PolarHBondContact O-N 2.7Å; P155-P177 HydrophobicContact CG-CB 4.49Å; P155-E179 HydrophobicContact CB-CG 4.17Å; P155-E179 WeakPolarHBondContact O-CB 3.32Å
156G97.1Very high97.4Very high20 Ų2029.9 Ų29.921%0.20617%0.169CC..G310 helixtrans-53.5-22.6175.800000114.2F135 P154 G158 K159F135-G156 WeakPolarHBondContact CB-O 3.46Å; F135-G156 WeakPolarHBondContact CG-O 2.89Å; P154-G156 PolarHBondContact O-N 2.75Å; G156-G158 PolarHBondContact O-N 2.98Å; G156-G158 VanDerWaalsContact O-N 3.07Å; G156-K159 VanDerWaalsContact O-CB 3.31Å; G156-K159 WeakPolarHBondContact O-CB 3.2Å; G156-K159 WeakPolarHBondContact O-CG 3.49Å; G156-K159 PolarHBondContact O-N 2.93Å
157I97.9Very high97.5Very high3 Ų329.3 Ų29.32%0.01517%0.166CC..G310 helixtrans-50.5-34.3175.8-168.368.9000112.8F135 L143 I153 P154 P155 K159 L160 L166 P177 L183F135-I157 VanDerWaalsContact CD1-CA 3.49Å; F135-I157 HydrophobicContact CD1-CB 4.28Å; F135-I157 HydrophobicContact CD1-CD1 4.19Å; F135-I157 HydrophobicContact CE1-CB 3.95Å; F135-I157 HydrophobicContact CE1-CD1 3.78Å; F135-I157 HydrophobicContact CE1-CG1 4.48Å; L143-I157 HydrophobicContact CD2-CD1 4.22Å; I153-I157 HydrophobicContact CG2-CB 3.8Å; I153-I157 HydrophobicContact CG2-CD1 4.38Å; I153-I157 HydrophobicContact CG2-CG1 4.14Å; I153-I157 HydrophobicContact CG2-CG2 4.05Å; P154-I157 WeakPolarHBondContact O-CG2 3.29Å; P154-I157 PolarHBondContact O-N 2.78Å; P155-I157 PolarHBondContact O-N 3.31Å; I157-K159 PolarHBondContact O-N 2.86Å; I157-L160 HydrophobicContact CD1-CD1 3.78Å; I157-L160 HydrophobicContact CD1-CG 4.46Å; I157-L160 WeakPolarHBondContact O-CB 3.02Å; I157-L160 PolarHBondContact O-N 3.37Å; I157-L166 HydrophobicContact CD1-CD1 4.42Å; I157-L166 HydrophobicContact CG1-CD2 4.42Å; I157-P177 HydrophobicContact CG2-CG 3.62Å; I157-L183 HydrophobicContact CG1-CD1 4.22Å; I157-L183 WeakPolarHBondContact O-CD2 3.49Å
158G97.7Very high97.5Very high5 Ų528 Ų285%0.05216%0.158CC..G310 helixtrans-62.4-13.9178.700000115P155 G156 L160 E179 L182P155-G158 PolarHBondContact O-N 2.7Å; G156-G158 PolarHBondContact O-N 2.98Å; G156-G158 VanDerWaalsContact O-N 3.07Å; G158-L160 VanDerWaalsContact C-N 3.31Å; G158-E179 WeakPolarHBondContact CA-O 3.22Å; G158-L182 WeakPolarHBondContact O-CB 3.33Å
159K97.8Very high97.5Very high111 Ų11132.9 Ų32.948%0.48318%0.177SC..G310 helixtrans-73.4-20.6172.8-65.5179.8177.9179.40113.2F135 G156 I157 V161F135-K159 HydrophobicContact CB-CB 4.45Å; F135-K159 HydrophobicContact CB-CD 4.33Å; F135-K159 VanDerWaalsContact O-CB 3.28Å; F135-K159 WeakPolarHBondContact O-CB 3.19Å; G156-K159 VanDerWaalsContact O-CB 3.31Å; G156-K159 WeakPolarHBondContact O-CB 3.2Å; G156-K159 WeakPolarHBondContact O-CG 3.49Å; G156-K159 PolarHBondContact O-N 2.93Å; I157-K159 PolarHBondContact O-N 2.86Å; K159-V161 PolarHBondContact O-N 3.42Å
160L98.1Very high97.5Very high0 Ų033.5 Ų33.50%018%0.18CC..  trans-79.654.9-179.7-54.3-171.8000111.2F135 L137 L140 L143 I157 G158 N162 L163 L183F135-L160 HydrophobicContact CD1-CD1 4.26Å; F135-L160 HydrophobicContact CD1-CG 4.34Å; L137-L160 HydrophobicContact CB-CD2 4.27Å; L137-L160 WeakPolarHBondContact O-CD2 3.26Å; L140-L160 HydrophobicContact CD1-CD1 4.16Å; L143-L160 HydrophobicContact CD2-CD1 4.01Å; I157-L160 HydrophobicContact CD1-CD1 3.78Å; I157-L160 HydrophobicContact CD1-CG 4.46Å; I157-L160 WeakPolarHBondContact O-CB 3.02Å; I157-L160 PolarHBondContact O-N 3.37Å; G158-L160 VanDerWaalsContact C-N 3.31Å; L160-N162 PolarHBondContact O-N 3.48Å; L160-L163 HydrophobicContact CB-CB 4.12Å; L160-L163 HydrophobicContact CD1-CD2 4.42Å; L160-L163 WeakPolarHBondContact O-CB 3.44Å; L160-L163 PolarHBondContact O-N 2.76Å; L160-L183 HydrophobicContact CB-CD2 4.23Å; L160-L183 VanDerWaalsContact O-CD2 3.25Å; L160-L183 WeakPolarHBondContact O-CD2 3.37Å
161V97.3Very high97.5Very high67 Ų6733.7 Ų33.741%0.40618%0.181SC..THydrogen-bonded Turntrans-61.2-16.2-171.7-62.10000114.6K159K159-V161 PolarHBondContact O-N 3.42Å
162N98.2Very high97.5Very high45 Ų4530.3 Ų30.324%0.24117%0.166CC..THydrogen-bonded Turntrans-90.7-2.8175.9-69.4-51.3000114.1V138 L140 L160 E164 R185V138-N162 PolarHBondContact O-ND2 3.47Å; L140-N162 CarbonylContact O-C 3.4Å; L160-N162 PolarHBondContact O-N 3.48Å; N162-E164 PolarHBondContact O-N 2.72Å; N162-R185 PolarHBondContact OD1-NH1 3.02Å
163L98.5Very high97.6Very high0 Ų028 Ų280%015%0.15CC..  trans-67.3126.6-174.9-158.973.4000111.1L140 L143 L160 L166 L183 R185 L186L140-L163 HydrophobicContact CB-CD1 4.04Å; L140-L163 WeakPolarHBondContact O-CA 3.4Å; L140-L163 PolarHBondContact O-N 2.69Å; L143-L163 HydrophobicContact CB-CD1 3.8Å; L143-L163 HydrophobicContact CB-CD2 4.38Å; L160-L163 HydrophobicContact CB-CB 4.12Å; L160-L163 HydrophobicContact CD1-CD2 4.42Å; L160-L163 WeakPolarHBondContact O-CB 3.44Å; L160-L163 PolarHBondContact O-N 2.76Å; L163-L166 HydrophobicContact CD2-CB 3.86Å; L163-L166 HydrophobicContact CD2-CD1 4.15Å; L163-L166 HydrophobicContact CD2-CD2 4.49Å; L163-L166 HydrophobicContact CD2-CG 4.39Å; L163-L183 HydrophobicContact CB-CD2 4.36Å; L163-L183 HydrophobicContact CD2-CD1 4.21Å; L163-R185 CarbonylContact O-C 3.34Å; L163-R185 VanDerWaalsContact O-C 3.26Å; L163-L186 HydrophobicContact CD2-CD1 4.38Å; L163-L186 HydrophobicContact CG-CD1 4.42Å; L163-L186 WeakPolarHBondContact O-CA 3.21Å; L163-L186 PolarHBondContact O-N 3.39Å; L163-L186 VanDerWaalsContact O-N 3.16Å
164E98.5Very high97.6Very high31 Ų3129.8 Ų29.815%0.14516%0.161CC..  trans-106.6-29.8177.3-62-176.9-143.200111.6R141 N162 K187 E188R141-E164 IonicContact CZ-OE1 3.91Å; R141-E164 VanDerWaalsContact CZ-OE1 3.25Å; R141-E164 IonicContact NE-OE1 2.71Å; R141-E164 PolarHBondContact NE-OE1 2.67Å; R141-E164 IonicContact NH2-OE1 2.77Å; R141-E164 PolarHBondContact NH2-OE1 3.29Å; R141-E164 IonicContact NH2-OE2 3.98Å; R141-E164 WeakPolarHBondContact O-CA 3.38Å; R141-E164 PolarHBondContact O-N 3.05Å; N162-E164 PolarHBondContact O-N 2.72Å; E164-K187 HydrophobicContact CB-CD 4.5Å; E164-K187 PolarHBondContact O-N 3.02Å; E164-K187 WeakPolarHBondContact OE2-CE 3.45Å; E164-K187 IonicContact OE2-NZ 2.87Å; E164-K187 PolarHBondContact OE2-NZ 3.34Å; E164-E188 PolarHBondContact O-N 3.21Å
165I98.7Very high97.5Very high31 Ų3130.5 Ų30.516%0.15917%0.167CC..EExtended strand (participates in β ladder)trans-128.6123.4-179.6-55.4177.8000109.5R141 A142 L143 Y144 E188R141-I165 PolarHBondContact O-N 3.19Å; A142-I165 WeakPolarHBondContact CA-O 3.22Å; A142-I165 HydrophobicContact CB-CB 3.99Å; A142-I165 HydrophobicContact CB-CD1 4.38Å; L143-I165 PolarHBondContact N-O 3.49Å; Y144-I165 HydrophobicContact CE1-CG2 3.84Å; I165-E188 HydrophobicContact CB-CB 4.34Å; I165-E188 HydrophobicContact CG1-CB 4.1Å; I165-E188 HydrophobicContact CG1-CG 4.2Å; I165-E188 HydrophobicContact CG2-CB 4.09Å
166L98.7Very high97.5Very high2 Ų227.2 Ų27.21%0.0115%0.145CC..EExtended strand (participates in β ladder)trans-124.2112170.6179.956.6000109.5L143 I157 L163 L168 I180 L183 L186 E188 L189 H190L143-L166 HydrophobicContact CB-CD1 4.38Å; L143-L166 HydrophobicContact CD2-CD1 4.16Å; L143-L166 HydrophobicContact CG-CD1 4.34Å; I157-L166 HydrophobicContact CD1-CD1 4.42Å; I157-L166 HydrophobicContact CG1-CD2 4.42Å; L163-L166 HydrophobicContact CD2-CB 3.86Å; L163-L166 HydrophobicContact CD2-CD1 4.15Å; L163-L166 HydrophobicContact CD2-CD2 4.49Å; L163-L166 HydrophobicContact CD2-CG 4.39Å; L166-L168 HydrophobicContact CD1-CD1 4.1Å; L166-L168 HydrophobicContact CD1-CD2 4.4Å; L166-L168 HydrophobicContact CD1-CG 4Å; L166-L168 HydrophobicContact CD2-CD1 3.86Å; L166-L168 HydrophobicContact CG-CD1 3.82Å; L166-L168 HydrophobicContact CG-CG 4.04Å; L166-I180 HydrophobicContact CD2-CD1 4.46Å; L166-L183 HydrophobicContact CD2-CD1 4.18Å; L166-L186 HydrophobicContact CB-CD1 3.8Å; L166-E188 PolarHBondContact N-O 3.44Å; L166-L189 HydrophobicContact CB-CD1 4.26Å; L166-L189 HydrophobicContact CD2-CD1 4.1Å; L166-L189 HydrophobicContact CG-CD1 4.24Å; L166-L189 WeakPolarHBondContact O-CA 3.49Å; L166-H190 PolarHBondContact O-N 3.03Å
167A98.7Very high97.5Very high4 Ų427 Ų273%0.03314%0.141CC..EExtended strand (participates in β ladder)trans-111.9116.2178.700000112.1L143 Y144 L145 S146 H190L143-A167 PolarHBondContact O-N 3.47Å; Y144-A167 HydrophobicContact CD1-CB 3.63Å; Y144-A167 HydrophobicContact CE1-CB 4.35Å; Y144-A167 HydrophobicContact CG-CB 4.43Å; L145-A167 CarbonylContact C-O 3.55Å; L145-A167 WeakPolarHBondContact CA-O 3.24Å; L145-A167 PolarHBondContact N-O 3.27Å; S146-A167 PolarHBondContact N-O 2.68Å; S146-A167 WeakPolarHBondContact OG-CB 3.5Å; S146-A167 PolarHBondContact OG-O 3.28Å; A167-H190 HydrophobicContact CB-CB 4.17Å
168L98.4Very high97.5Very high1 Ų128.6 Ų28.61%0.00515%0.154CC..  trans-128.716.2-173.6-70.1168.1000112.2L145 I153 L166 N171 L173 H190 L191 N194L145-L168 HydrophobicContact CB-CD2 3.94Å; L145-L168 HydrophobicContact CD1-CD2 4.04Å; I153-L168 HydrophobicContact CD1-CD2 3.59Å; I153-L168 HydrophobicContact CG1-CD1 4Å; I153-L168 HydrophobicContact CG1-CD2 3.95Å; L166-L168 HydrophobicContact CD1-CD1 4.1Å; L166-L168 HydrophobicContact CD1-CD2 4.4Å; L166-L168 HydrophobicContact CD1-CG 4Å; L166-L168 HydrophobicContact CD2-CD1 3.86Å; L166-L168 HydrophobicContact CG-CD1 3.82Å; L166-L168 HydrophobicContact CG-CG 4.04Å; L168-N171 PolarHBondContact O-ND2 2.94Å; L168-L173 HydrophobicContact CB-CD1 3.88Å; L168-L173 HydrophobicContact CD1-CD1 4Å; L168-L173 HydrophobicContact CD2-CD1 4.41Å; L168-L173 HydrophobicContact CG-CD1 4.34Å; L168-H190 CarbonylContact C-O 3.58Å; L168-H190 WeakPolarHBondContact CA-O 3.26Å; L168-H190 WeakPolarHBondContact CB-O 3.16Å; L168-H190 PolarHBondContact N-O 3.19Å; L168-L191 HydrophobicContact CB-CD2 4.13Å; L168-L191 HydrophobicContact CD1-CD2 3.98Å; L168-N194 PolarHBondContact O-ND2 3.17Å
169R97.5Very high97.5Very high103 Ų10331.7 Ų31.739%0.38917%0.167SC..THydrogen-bonded Turntrans-58.9150.9-177.9162.9176.8173.3-154.3-10111.8S146 D147 N171 H190 Q192S146-R169 CarbonylContact C-O 3.53Å; S146-R169 WeakPolarHBondContact CA-O 3.15Å; S146-R169 WeakPolarHBondContact CB-O 3.37Å; S146-R169 PolarHBondContact OG-N 2.89Å; D147-R169 PolarHBondContact N-O 2.88Å; R169-N171 VanDerWaalsContact C-N 3.28Å; R169-N171 PolarHBondContact O-N 3.5Å; R169-N171 PolarHBondContact O-ND2 3.39Å; R169-H190 PolarHBondContact N-O 3.48Å; R169-Q192 CarbonylContact C-O 3.42Å; R169-Q192 VanDerWaalsContact CA-O 3.23Å; R169-Q192 WeakPolarHBondContact CA-O 3.44Å; R169-Q192 HydrophobicContact CB-CB 4.43Å; R169-Q192 HydrophobicContact CG-CB 4.06Å
170D96.6Very high97.4Very high40 Ų4026.6 Ų26.621%0.21415%0.145CC..THydrogen-bonded Turntrans57.339174.4-65.2-53.5000112.7D147 Q192 N193D147-D170 WeakPolarHBondContact CA-O 3.26Å; D147-D170 HydrophobicContact CB-CB 4.25Å; D170-Q192 PolarHBondContact N-O 3.28Å; D170-N193 VanDerWaalsContact CA-O 3.29Å; D170-N193 WeakPolarHBondContact CA-O 3.13Å; D170-N193 PolarHBondContact N-O 3.21Å; D170-N193 WeakPolarHBondContact OD1-CB 3.39Å; D170-N193 PolarHBondContact OD1-ND2 3.05Å
171N96.9Very high97.4Very high4 Ų427.7 Ų27.72%0.02115%0.152CC..SBendtrans-105.5-169.7168.4-80.8-79.3000109.7L145 N148 D149 F150 L168 R169 L173 N194L145-N171 PolarHBondContact O-ND2 3.3Å; N148-N171 VanDerWaalsContact CA-OD1 3.24Å; N148-N171 WeakPolarHBondContact CA-OD1 3.42Å; N148-N171 WeakPolarHBondContact CB-OD1 3.18Å; N148-N171 PolarHBondContact N-OD1 3.16Å; N148-N171 PolarHBondContact O-OD1 3.3Å; D149-N171 PolarHBondContact N-OD1 3.36Å; F150-N171 HydrophobicContact CB-CB 4.36Å; F150-N171 WeakPolarHBondContact CD2-OD1 3.48Å; F150-N171 PolarHBondContact N-OD1 2.91Å; L168-N171 PolarHBondContact O-ND2 2.94Å; R169-N171 VanDerWaalsContact C-N 3.28Å; R169-N171 PolarHBondContact O-N 3.5Å; R169-N171 PolarHBondContact O-ND2 3.39Å; N171-L173 HydrophobicContact CB-CG 4.09Å; N171-N194 VanDerWaalsContact CA-OD1 3.28Å; N171-N194 WeakPolarHBondContact CA-OD1 3.44Å; N171-N194 WeakPolarHBondContact CB-OD1 3.46Å; N171-N194 PolarHBondContact N-OD1 3.3Å; N171-N194 PolarHBondContact O-OD1 2.8Å
172D96.6Very high97.4Very high5 Ų528.7 Ų28.73%0.02716%0.155CC..  trans-112.228.7176.7-67-67.2000111.7F150 E151 V174 N194 R195 I263 A264 K266F150-D172 CarbonylContact O-C 3.51Å; F150-D172 VanDerWaalsContact O-C 3.23Å; F150-D172 WeakPolarHBondContact O-CA 3.43Å; F150-D172 PolarHBondContact O-N 2.99Å; E151-D172 HydrophobicContact CG-CB 4.07Å; D172-V174 PolarHBondContact O-N 2.81Å; D172-N194 PolarHBondContact N-OD1 2.9Å; D172-R195 PolarHBondContact O-NH1 2.94Å; D172-I263 HydrophobicContact CB-CG1 4.47Å; D172-A264 PolarHBondContact OD1-N 3.13Å; D172-K266 WeakPolarHBondContact OD2-CE 3.37Å; D172-K266 IonicContact OD2-NZ 2.91Å; D172-K266 PolarHBondContact OD2-NZ 3.12Å
173L97.2Very high97.4Very high0 Ų026.6 Ų26.60%014%0.144CC..  trans-60.1125-171.8-64174.1000111.4F150 E151 I153 L168 N171 L176 L191 N194 R195 L196F150-L173 HydrophobicContact CB-CD2 3.84Å; F150-L173 PolarHBondContact O-N 3.1Å; E151-L173 WeakPolarHBondContact O-CA 3.43Å; I153-L173 HydrophobicContact CD1-CD2 4.16Å; I153-L173 HydrophobicContact CG1-CD1 4.41Å; I153-L173 HydrophobicContact CG1-CD2 3.85Å; L168-L173 HydrophobicContact CB-CD1 3.88Å; L168-L173 HydrophobicContact CD1-CD1 4Å; L168-L173 HydrophobicContact CD2-CD1 4.41Å; L168-L173 HydrophobicContact CG-CD1 4.34Å; N171-L173 HydrophobicContact CB-CG 4.09Å; L173-L176 HydrophobicContact CD1-CD2 4.18Å; L173-L191 HydrophobicContact CD1-CD2 4.32Å; L173-N194 HydrophobicContact CB-CB 4.04Å; L173-N194 VanDerWaalsContact CB-OD1 3.26Å; L173-N194 WeakPolarHBondContact CB-OD1 3.47Å; L173-N194 VanDerWaalsContact CG-OD1 3.25Å; L173-N194 WeakPolarHBondContact CG-OD1 3.17Å; L173-N194 PolarHBondContact N-OD1 3.02Å; L173-R195 CarbonylContact O-C 3.54Å; L173-R195 VanDerWaalsContact O-CA 3.27Å; L173-R195 WeakPolarHBondContact O-CA 3.18Å; L173-R195 PolarHBondContact O-N 3.2Å; L173-L196 HydrophobicContact CB-CD2 4.09Å; L173-L196 HydrophobicContact CB-CG 4.39Å; L173-L196 PolarHBondContact O-N 3.12Å; L173-L196 VanDerWaalsContact O-N 3.1Å
174V95.6Very high97.3Very high46 Ų4631.8 Ų31.828%0.27918%0.176SC..  trans-97.7-27.5177.4-1760000111.5E151 D172 R195 P260E151-V174 PolarHBondContact O-N 3.19Å; D172-V174 PolarHBondContact O-N 2.81Å; V174-R195 HydrophobicContact CG2-CB 4.41Å; V174-P260 HydrophobicContact CB-CG 4.45Å; V174-P260 HydrophobicContact CG1-CB 3.78Å; V174-P260 HydrophobicContact CG1-CG 3.76Å; V174-P260 HydrophobicContact CG2-CB 3.99Å; V174-P260 HydrophobicContact CG2-CG 3.78Å
175S94.6Very high97.2Very high49 Ų4937 Ų3734%0.34319%0.194SC..BIsolated β-bridgetrans-149.6159.4178.761.30000111.7
176L96.9Very high97.2Very high5 Ų536 Ų363%0.02619%0.189CC..  trans-110144.6167.2-61.8173.1000110.1L173 I180 L191 L196 L199 P200L173-L176 HydrophobicContact CD1-CD2 4.18Å; L176-I180 HydrophobicContact CD1-CD1 4.2Å; L176-L191 HydrophobicContact CD1-CD1 3.61Å; L176-L191 HydrophobicContact CD1-CD2 4.07Å; L176-L191 HydrophobicContact CD2-CD2 3.88Å; L176-L196 HydrophobicContact CD1-CD1 4.47Å; L176-L196 HydrophobicContact CG-CD1 4.5Å; L176-L196 HydrophobicContact CG-CD2 4.19Å; L176-L199 HydrophobicContact CD1-CD2 3.97Å; L176-P200 HydrophobicContact CB-CG 4.02Å
177P96.9Very high97.1Very high16 Ų1640.1 Ų40.110%0.10421%0.207CC..  trans-69.2147.9175.330.3-35.4000111.1I153 P155 I157 E179 I180I153-P177 WeakPolarHBondContact O-CD 3.37Å; I153-P177 WeakPolarHBondContact O-CG 3.43Å; P155-P177 HydrophobicContact CG-CB 4.49Å; I157-P177 HydrophobicContact CG2-CG 3.62Å; P177-E179 WeakPolarHBondContact CB-OE2 3.46Å; P177-E179 PolarHBondContact O-N 2.99Å; P177-I180 WeakPolarHBondContact O-CB 3.13Å; P177-I180 VanDerWaalsContact O-CG2 3.26Å; P177-I180 WeakPolarHBondContact O-CG2 3.19Å; P177-I180 PolarHBondContact O-N 2.91Å
178A97.3Very high97.1Very high35 Ų3543 Ų4329%0.28922%0.219SC..G310 helixtrans-61.9-30.2177.200000111.9I180 C181 E202A178-I180 PolarHBondContact O-N 3.05Å; A178-C181 WeakPolarHBondContact O-CB 3.07Å; A178-C181 PolarHBondContact O-N 3.48Å; A178-C181 VanDerWaalsContact O-N 3.1Å; A178-C181 PolarHBondContact O-SG 3.14Å; A178-E202 HydrophobicContact CB-CB 4.42Å; A178-E202 HydrophobicContact CB-CG 4.07Å
179E97.9Very high97.1Very high71 Ų7143 Ų4333%0.33222%0.219SC..G310 helixtrans-61.9-10.3178.2-66.579.6-179.400113.8P155 G158 P177 C181 L182P155-E179 HydrophobicContact CB-CG 4.17Å; P155-E179 WeakPolarHBondContact O-CB 3.32Å; G158-E179 WeakPolarHBondContact CA-O 3.22Å; P177-E179 WeakPolarHBondContact CB-OE2 3.46Å; P177-E179 PolarHBondContact O-N 2.99Å; E179-C181 PolarHBondContact O-N 3.13Å; E179-C181 VanDerWaalsContact O-N 3.16Å; E179-L182 HydrophobicContact CB-CD1 4.23Å; E179-L182 HydrophobicContact CG-CD1 4.4Å; E179-L182 VanDerWaalsContact O-CB 3.3Å; E179-L182 WeakPolarHBondContact O-CB 3.36Å; E179-L182 WeakPolarHBondContact O-CG 3.29Å; E179-L182 PolarHBondContact O-N 3.2Å
180I97.3Very high97.1Very high3 Ų339.8 Ų39.82%0.01521%0.209CC..G310 helixtrans-56.4-27.2169.3-159.3167.9000111.7L166 L176 P177 A178 L182 L183 L189 P200 L203L166-I180 HydrophobicContact CD2-CD1 4.46Å; L176-I180 HydrophobicContact CD1-CD1 4.2Å; P177-I180 WeakPolarHBondContact O-CB 3.13Å; P177-I180 VanDerWaalsContact O-CG2 3.26Å; P177-I180 WeakPolarHBondContact O-CG2 3.19Å; P177-I180 PolarHBondContact O-N 2.91Å; A178-I180 PolarHBondContact O-N 3.05Å; I180-L182 PolarHBondContact O-N 2.98Å; I180-L183 HydrophobicContact CG1-CD1 3.97Å; I180-L183 WeakPolarHBondContact O-CB 3.37Å; I180-L183 WeakPolarHBondContact O-CG 3.32Å; I180-L183 PolarHBondContact O-N 2.84Å; I180-L183 VanDerWaalsContact O-N 3.12Å; I180-L189 HydrophobicContact CD1-CD1 4.32Å; I180-L189 HydrophobicContact CD1-CD2 4.3Å; I180-P200 HydrophobicContact CG2-CG 4.24Å; I180-L203 HydrophobicContact CD1-CD1 4.21Å; I180-L203 HydrophobicContact CG1-CD1 4.39Å; I180-L203 HydrophobicContact CG2-CB 4.31Å; I180-L203 HydrophobicContact CG2-CD1 3.89Å
181C96.7Very high97.2Very high24 Ų2437.9 Ų37.916%0.16220%0.199CC..G310 helixtrans-63.8-18.2176.273.80000114A178 E179 L183 E202 I205 L206A178-C181 WeakPolarHBondContact O-CB 3.07Å; A178-C181 PolarHBondContact O-N 3.48Å; A178-C181 VanDerWaalsContact O-N 3.1Å; A178-C181 PolarHBondContact O-SG 3.14Å; E179-C181 PolarHBondContact O-N 3.13Å; E179-C181 VanDerWaalsContact O-N 3.16Å; C181-L183 PolarHBondContact O-N 2.85Å; C181-E202 HydrophobicContact CB-CB 3.78Å; C181-E202 WeakPolarHBondContact CB-O 3.34Å; C181-I205 HydrophobicContact CB-CB 4.42Å; C181-I205 HydrophobicContact CB-CD1 4.15Å; C181-L206 WeakPolarHBondContact O-CD2 3.47Å
182L97.9Very high97.2Very high88 Ų8838.9 Ų38.946%0.46120%0.203SC..G310 helixtrans-77-12.2177.2-59177.1000112.5G158 E179 I180 T184G158-L182 WeakPolarHBondContact O-CB 3.33Å; E179-L182 HydrophobicContact CB-CD1 4.23Å; E179-L182 HydrophobicContact CG-CD1 4.4Å; E179-L182 VanDerWaalsContact O-CB 3.3Å; E179-L182 WeakPolarHBondContact O-CB 3.36Å; E179-L182 WeakPolarHBondContact O-CG 3.29Å; E179-L182 PolarHBondContact O-N 3.2Å; I180-L182 PolarHBondContact O-N 2.98Å; L182-T184 PolarHBondContact O-N 3.2Å
183L97.8Very high97.2Very high0 Ų041.8 Ų41.80%022%0.219CC..  trans-79.159.2177-53.6-177.7000111I157 L160 L163 L166 I180 C181 R185 L186 L206I157-L183 HydrophobicContact CG1-CD1 4.22Å; I157-L183 WeakPolarHBondContact O-CD2 3.49Å; L160-L183 HydrophobicContact CB-CD2 4.23Å; L160-L183 VanDerWaalsContact O-CD2 3.25Å; L160-L183 WeakPolarHBondContact O-CD2 3.37Å; L163-L183 HydrophobicContact CB-CD2 4.36Å; L163-L183 HydrophobicContact CD2-CD1 4.21Å; L166-L183 HydrophobicContact CD2-CD1 4.18Å; I180-L183 HydrophobicContact CG1-CD1 3.97Å; I180-L183 WeakPolarHBondContact O-CB 3.37Å; I180-L183 WeakPolarHBondContact O-CG 3.32Å; I180-L183 PolarHBondContact O-N 2.84Å; I180-L183 VanDerWaalsContact O-N 3.12Å; C181-L183 PolarHBondContact O-N 2.85Å; L183-R185 PolarHBondContact O-N 3.09Å; L183-L186 HydrophobicContact CB-CB 4Å; L183-L186 HydrophobicContact CB-CD2 4.5Å; L183-L186 HydrophobicContact CD1-CD1 4.44Å; L183-L186 HydrophobicContact CD1-CD2 4.31Å; L183-L186 WeakPolarHBondContact O-CB 3.2Å; L183-L186 PolarHBondContact O-N 3.15Å; L183-L206 WeakPolarHBondContact O-CD2 3.27Å
184T96.2Very high97.2Very high110 Ų11042.1 Ų42.168%0.67522%0.221SC*.THydrogen-bonded Turntrans-65.4-10.1-172.163.50000114.3L182L182-T184 PolarHBondContact O-N 3.2Å
185R97.1Very high97.3Very high139 Ų13941.1 Ų41.153%0.52521%0.212SC..THydrogen-bonded Turntrans-98.8-1.5174.9-67.1-172.3177.4-176.73.7113.7N162 L163 L183 K187N162-R185 PolarHBondContact OD1-NH1 3.02Å; L163-R185 CarbonylContact O-C 3.34Å; L163-R185 VanDerWaalsContact O-C 3.26Å; L183-R185 PolarHBondContact O-N 3.09Å; R185-K187 PolarHBondContact O-N 3.23Å
186L98Very high97.3Very high10 Ų1038.8 Ų38.85%0.05220%0.195CC..  trans-62.8126.1-177.4-162.871.5000110.2L163 L166 L183 L189 L206 L208L163-L186 HydrophobicContact CD2-CD1 4.38Å; L163-L186 HydrophobicContact CG-CD1 4.42Å; L163-L186 WeakPolarHBondContact O-CA 3.21Å; L163-L186 PolarHBondContact O-N 3.39Å; L163-L186 VanDerWaalsContact O-N 3.16Å; L166-L186 HydrophobicContact CB-CD1 3.8Å; L183-L186 HydrophobicContact CB-CB 4Å; L183-L186 HydrophobicContact CB-CD2 4.5Å; L183-L186 HydrophobicContact CD1-CD1 4.44Å; L183-L186 HydrophobicContact CD1-CD2 4.31Å; L183-L186 WeakPolarHBondContact O-CB 3.2Å; L183-L186 PolarHBondContact O-N 3.15Å; L186-L189 HydrophobicContact CD2-CB 4.07Å; L186-L189 HydrophobicContact CD2-CD1 4.35Å; L186-L189 HydrophobicContact CD2-CD2 4.44Å; L186-L206 HydrophobicContact CB-CD1 4.44Å; L186-L206 HydrophobicContact CD2-CD1 4.05Å; L186-L208 HydrophobicContact CB-CD2 4.46Å; L186-L208 HydrophobicContact CD2-CD1 4.5Å; L186-L208 HydrophobicContact CD2-CD2 4.42Å; L186-L208 HydrophobicContact CG-CD2 4.37Å; L186-L208 WeakPolarHBondContact O-CD2 3.33Å
187K97.4Very high97.3Very high89 Ų8939.4 Ų39.439%0.38720%0.201SC..  trans-111.4-33.8176.7-64.5171.5-173.41640111E164 R185 Q213 V214E164-K187 HydrophobicContact CB-CD 4.5Å; E164-K187 PolarHBondContact O-N 3.02Å; E164-K187 WeakPolarHBondContact OE2-CE 3.45Å; E164-K187 IonicContact OE2-NZ 2.87Å; E164-K187 PolarHBondContact OE2-NZ 3.34Å; R185-K187 PolarHBondContact O-N 3.23Å; K187-Q213 CarbonylContact O-C 3.55Å; K187-Q213 WeakPolarHBondContact O-CA 2.91Å; K187-V214 PolarHBondContact O-N 3.15Å
188E98.2Very high97.3Very high65 Ų6539 Ų3930%0.30420%0.198SC..EExtended strand (participates in β ladder)trans-124.6127-178.7-57.5-166.9-155.700112.1E164 I165 L166 H190 V214E164-E188 PolarHBondContact O-N 3.21Å; I165-E188 HydrophobicContact CB-CB 4.34Å; I165-E188 HydrophobicContact CG1-CB 4.1Å; I165-E188 HydrophobicContact CG1-CG 4.2Å; I165-E188 HydrophobicContact CG2-CB 4.09Å; L166-E188 PolarHBondContact N-O 3.44Å; E188-H190 IonicContact OE2-CE1 3.39Å; E188-H190 IonicContact OE2-NE2 3.25Å; E188-H190 PolarHBondContact OE2-NE2 2.62Å; E188-V214 CarbonylContact C-O 3.23Å; E188-V214 VanDerWaalsContact CA-O 3.27Å; E188-V214 WeakPolarHBondContact CA-O 3.43Å; E188-V214 HydrophobicContact CG-CB 4.08Å; E188-V214 HydrophobicContact CG-CG2 4.4Å
189L98.3Very high97.3Very high0 Ų037.3 Ų37.30%019%0.185CC..EExtended strand (participates in β ladder)trans-131.3110177179.857.4000109.8L166 I180 L186 L191 L203 L208 V214 A215 K216L166-L189 HydrophobicContact CB-CD1 4.26Å; L166-L189 HydrophobicContact CD2-CD1 4.1Å; L166-L189 HydrophobicContact CG-CD1 4.24Å; L166-L189 WeakPolarHBondContact O-CA 3.49Å; I180-L189 HydrophobicContact CD1-CD1 4.32Å; I180-L189 HydrophobicContact CD1-CD2 4.3Å; L186-L189 HydrophobicContact CD2-CB 4.07Å; L186-L189 HydrophobicContact CD2-CD1 4.35Å; L186-L189 HydrophobicContact CD2-CD2 4.44Å; L189-L191 HydrophobicContact CD1-CD1 4.19Å; L189-L191 HydrophobicContact CD1-CD2 4.11Å; L189-L191 HydrophobicContact CD1-CG 3.94Å; L189-L191 HydrophobicContact CD2-CD1 3.82Å; L189-L191 HydrophobicContact CD2-CG 4.42Å; L189-L191 HydrophobicContact CG-CD1 3.85Å; L189-L191 HydrophobicContact CG-CG 3.91Å; L189-L203 HydrophobicContact CD2-CD1 3.97Å; L189-L203 HydrophobicContact CD2-CD2 4.4Å; L189-L208 HydrophobicContact CB-CD1 4.13Å; L189-L208 HydrophobicContact CD2-CD1 3.77Å; L189-V214 PolarHBondContact N-O 3.46Å; L189-A215 CarbonylContact O-C 3.07Å; L189-A215 VanDerWaalsContact O-CA 3.31Å; L189-A215 WeakPolarHBondContact O-CA 2.96Å; L189-K216 PolarHBondContact O-N 2.71Å
190H98.4Very high97.2Very high37 Ų3734 Ų3417%0.17117%0.169CC..EExtended strand (participates in β ladder)trans-107.2109-179.5-59.4-93.5000109.9L166 A167 L168 R169 E188 Q192L166-H190 PolarHBondContact O-N 3.03Å; A167-H190 HydrophobicContact CB-CB 4.17Å; L168-H190 CarbonylContact C-O 3.58Å; L168-H190 WeakPolarHBondContact CA-O 3.26Å; L168-H190 WeakPolarHBondContact CB-O 3.16Å; L168-H190 PolarHBondContact N-O 3.19Å; R169-H190 PolarHBondContact N-O 3.48Å; E188-H190 IonicContact OE2-CE1 3.39Å; E188-H190 IonicContact OE2-NE2 3.25Å; E188-H190 PolarHBondContact OE2-NE2 2.62Å; H190-Q192 VanDerWaalsContact C-OE1 3.25Å; H190-Q192 VanDerWaalsContact CA-OE1 3.26Å; H190-Q192 VanDerWaalsContact CB-OE1 3.24Å
191L98.2Very high97.2Very high0 Ų034.6 Ų34.60%017%0.173CC..  trans-120.412.6-176.6-66.6170.1000113L168 L173 L176 L189 N194 L196 L199 K216 L217 N220L168-L191 HydrophobicContact CB-CD2 4.13Å; L168-L191 HydrophobicContact CD1-CD2 3.98Å; L173-L191 HydrophobicContact CD1-CD2 4.32Å; L176-L191 HydrophobicContact CD1-CD1 3.61Å; L176-L191 HydrophobicContact CD1-CD2 4.07Å; L176-L191 HydrophobicContact CD2-CD2 3.88Å; L189-L191 HydrophobicContact CD1-CD1 4.19Å; L189-L191 HydrophobicContact CD1-CD2 4.11Å; L189-L191 HydrophobicContact CD1-CG 3.94Å; L189-L191 HydrophobicContact CD2-CD1 3.82Å; L189-L191 HydrophobicContact CD2-CG 4.42Å; L189-L191 HydrophobicContact CG-CD1 3.85Å; L189-L191 HydrophobicContact CG-CG 3.91Å; L191-N194 PolarHBondContact O-ND2 2.95Å; L191-L196 HydrophobicContact CB-CD1 4.16Å; L191-L196 HydrophobicContact CD1-CD1 4.25Å; L191-L196 HydrophobicContact CD2-CD1 4.26Å; L191-L196 HydrophobicContact CG-CD1 4.47Å; L191-L199 HydrophobicContact CD1-CD2 4.36Å; L191-K216 CarbonylContact C-O 3.48Å; L191-K216 WeakPolarHBondContact CA-O 3.27Å; L191-K216 PolarHBondContact N-O 2.58Å; L191-L217 HydrophobicContact CB-CD2 4.17Å; L191-L217 HydrophobicContact CD1-CD2 3.63Å; L191-L217 HydrophobicContact CG-CD2 4.42Å; L191-N220 PolarHBondContact O-ND2 3.24Å
192Q97.5Very high97.2Very high25 Ų2537 Ų3712%0.11718%0.182CC..  trans-60.6149-173.8-5290.9-51.400111.5R169 D170 H190 N194 K216 S218R169-Q192 CarbonylContact C-O 3.42Å; R169-Q192 VanDerWaalsContact CA-O 3.23Å; R169-Q192 WeakPolarHBondContact CA-O 3.44Å; R169-Q192 HydrophobicContact CB-CB 4.43Å; R169-Q192 HydrophobicContact CG-CB 4.06Å; D170-Q192 PolarHBondContact N-O 3.28Å; H190-Q192 VanDerWaalsContact C-OE1 3.25Å; H190-Q192 VanDerWaalsContact CA-OE1 3.26Å; H190-Q192 VanDerWaalsContact CB-OE1 3.24Å; Q192-N194 PolarHBondContact O-N 3.11Å; Q192-N194 PolarHBondContact O-ND2 3.27Å; Q192-K216 HydrophobicContact CG-CB 3.65Å; Q192-K216 PolarHBondContact N-O 2.96Å; Q192-S218 CarbonylContact C-O 3.6Å; Q192-S218 WeakPolarHBondContact CA-O 3.23Å; Q192-S218 WeakPolarHBondContact CB-O 3.29Å; Q192-S218 WeakPolarHBondContact CG-OG 3.18Å
193N96.4Very high97.2Very high66 Ų6632.9 Ų32.935%0.35316%0.16SC..SBendtrans5456.3173.3-55.8-22.3000112.3D170 S218 G219D170-N193 VanDerWaalsContact CA-O 3.29Å; D170-N193 WeakPolarHBondContact CA-O 3.13Å; D170-N193 PolarHBondContact N-O 3.21Å; D170-N193 WeakPolarHBondContact OD1-CB 3.39Å; D170-N193 PolarHBondContact OD1-ND2 3.05Å; N193-S218 PolarHBondContact N-O 2.91Å; N193-G219 VanDerWaalsContact CA-O 3.29Å; N193-G219 WeakPolarHBondContact CA-O 2.94Å
194N97.2Very high97.1Very high7 Ų733 Ų334%0.03716%0.162CC..SBendtrans-120.4-167.8169.9-82.1-80.5000108.6L168 N171 D172 L173 L191 Q192 L196 N220L168-N194 PolarHBondContact O-ND2 3.17Å; N171-N194 VanDerWaalsContact CA-OD1 3.28Å; N171-N194 WeakPolarHBondContact CA-OD1 3.44Å; N171-N194 WeakPolarHBondContact CB-OD1 3.46Å; N171-N194 PolarHBondContact N-OD1 3.3Å; N171-N194 PolarHBondContact O-OD1 2.8Å; D172-N194 PolarHBondContact N-OD1 2.9Å; L173-N194 HydrophobicContact CB-CB 4.04Å; L173-N194 VanDerWaalsContact CB-OD1 3.26Å; L173-N194 WeakPolarHBondContact CB-OD1 3.47Å; L173-N194 VanDerWaalsContact CG-OD1 3.25Å; L173-N194 WeakPolarHBondContact CG-OD1 3.17Å; L173-N194 PolarHBondContact N-OD1 3.02Å; L191-N194 PolarHBondContact O-ND2 2.95Å; Q192-N194 PolarHBondContact O-N 3.11Å; Q192-N194 PolarHBondContact O-ND2 3.27Å; N194-L196 HydrophobicContact CB-CD1 4.4Å; N194-L196 HydrophobicContact CB-CG 4.18Å; N194-N220 VanDerWaalsContact CA-OD1 3.27Å; N194-N220 WeakPolarHBondContact CA-OD1 3.22Å; N194-N220 WeakPolarHBondContact CB-OD1 3.48Å; N194-N220 PolarHBondContact N-OD1 2.9Å; N194-N220 PolarHBondContact O-OD1 2.87Å
195R96.2Very high97Very high25 Ų2533.7 Ų33.79%0.09416%0.16CC..  trans-112.327-179.9-64.2158.663.4-147.19.6111.4E151 D172 L173 V174 D221 P260 R261E151-R195 IonicContact OE2-NH1 3.01Å; E151-R195 PolarHBondContact OE2-NH1 3.16Å; E151-R195 VanDerWaalsContact OE2-NH1 3.15Å; D172-R195 PolarHBondContact O-NH1 2.94Å; L173-R195 CarbonylContact O-C 3.54Å; L173-R195 VanDerWaalsContact O-CA 3.27Å; L173-R195 WeakPolarHBondContact O-CA 3.18Å; L173-R195 PolarHBondContact O-N 3.2Å; V174-R195 HydrophobicContact CG2-CB 4.41Å; R195-D221 WeakPolarHBondContact CA-OD2 3.24Å; R195-P260 VanDerWaalsContact NH2-CG 3.3Å; R195-R261 PolarHBondContact NE-O 2.98Å; R195-R261 PolarHBondContact NH2-O 3.49Å
196L96.4Very high96.8Very high0 Ų027.4 Ų27.40%014%0.137CC..  trans-72.3130.9-176.2-62168.4000109.5L173 L176 L191 N194 N220 D221 W222L173-L196 HydrophobicContact CB-CD2 4.09Å; L173-L196 HydrophobicContact CB-CG 4.39Å; L173-L196 PolarHBondContact O-N 3.12Å; L173-L196 VanDerWaalsContact O-N 3.1Å; L176-L196 HydrophobicContact CD1-CD1 4.47Å; L176-L196 HydrophobicContact CG-CD1 4.5Å; L176-L196 HydrophobicContact CG-CD2 4.19Å; L191-L196 HydrophobicContact CB-CD1 4.16Å; L191-L196 HydrophobicContact CD1-CD1 4.25Å; L191-L196 HydrophobicContact CD2-CD1 4.26Å; L191-L196 HydrophobicContact CG-CD1 4.47Å; N194-L196 HydrophobicContact CB-CD1 4.4Å; N194-L196 HydrophobicContact CB-CG 4.18Å; L196-N220 HydrophobicContact CB-CB 4.23Å; L196-N220 VanDerWaalsContact CB-OD1 3.32Å; L196-N220 WeakPolarHBondContact CB-OD1 3.31Å; L196-N220 PolarHBondContact N-OD1 2.76Å; L196-N220 VanDerWaalsContact N-OD1 3.1Å; L196-N220 WeakPolarHBondContact O-CB 3.25Å; L196-D221 CarbonylContact O-C 3.21Å; L196-D221 PolarHBondContact O-N 3.02Å; L196-W222 HydrophobicContact CB-CE3 4.38Å; L196-W222 HydrophobicContact CB-CH2 3.52Å; L196-W222 HydrophobicContact CB-CZ2 4.3Å; L196-W222 HydrophobicContact CB-CZ3 3.58Å; L196-W222 HydrophobicContact CD1-CH2 3.77Å; L196-W222 HydrophobicContact CD1-CZ2 4.45Å; L196-W222 HydrophobicContact CG-CH2 4.29Å; L196-W222 PolarHBondContact O-N 3.46Å
197A96Very high96.3Very high18 Ų1831.8 Ų31.815%0.14916%0.16CC..SBendtrans-104.2-27.1171.900000113D221 V223A197-D221 VanDerWaalsContact CA-O 3.24Å; A197-D221 WeakPolarHBondContact CA-O 3.39Å; A197-D221 WeakPolarHBondContact CB-O 3.21Å; A197-V223 PolarHBondContact O-N 3.46Å
198V96.5Very high96.1Very high7 Ų727.6 Ų27.64%0.04214%0.142CC..  trans-142.1157.4-178.8-66.10000110.5V223 I226 L249 Y250 H253 I254V198-V223 HydrophobicContact CG1-CG1 4.13Å; V198-V223 HydrophobicContact CG1-CG2 4.18Å; V198-I226 HydrophobicContact CB-CD1 4.48Å; V198-L249 HydrophobicContact CG1-CD2 4.23Å; V198-Y250 HydrophobicContact CB-CD2 3.95Å; V198-Y250 HydrophobicContact CB-CE2 4.31Å; V198-Y250 HydrophobicContact CG2-CD2 3.77Å; V198-Y250 HydrophobicContact CG2-CE2 3.74Å; V198-H253 HydrophobicContact CG1-CB 4.16Å; V198-I254 HydrophobicContact CG2-CD1 4.45Å
199L96.9Very high95.7Very high0 Ų026.8 Ų26.80%014%0.143CC..  trans-106142.8170.6-65.4169.1000110.2L176 L191 L203 L217 W222 V237 I241 Y246 Y250L176-L199 HydrophobicContact CD1-CD2 3.97Å; L191-L199 HydrophobicContact CD1-CD2 4.36Å; L199-L203 HydrophobicContact CB-CD2 4.2Å; L199-L203 HydrophobicContact CD1-CD2 4.1Å; L199-L203 HydrophobicContact CD2-CD2 3.79Å; L199-L203 HydrophobicContact CG-CD2 4.24Å; L199-L217 HydrophobicContact CD1-CD1 4.1Å; L199-W222 HydrophobicContact CD1-CH2 4.35Å; L199-W222 HydrophobicContact CD1-CZ3 4.44Å; L199-W222 HydrophobicContact CD2-CH2 3.55Å; L199-W222 HydrophobicContact CD2-CZ3 3.87Å; L199-W222 HydrophobicContact CG-CH2 3.82Å; L199-W222 HydrophobicContact CG-CZ3 3.71Å; L199-V237 HydrophobicContact CD1-CG1 4.1Å; L199-I241 HydrophobicContact CB-CG2 4.42Å; L199-Y246 PolarHBondContact N-OH 2.66Å; L199-Y246 VanDerWaalsContact O-CE1 3.27Å; L199-Y246 WeakPolarHBondContact O-CE1 3.27Å; L199-Y246 PolarHBondContact O-OH 2.9Å; L199-Y250 VanDerWaalsContact O-CD2 3.25Å; L199-Y250 WeakPolarHBondContact O-CD2 3.43Å; L199-Y250 WeakPolarHBondContact O-CE2 3.45Å
200P97Very high95.3Very high1 Ų127.5 Ų27.51%0.00615%0.151CC..  trans-60.4132.9171.825.1-31.8000110L176 I180 E202 L203 Y250L176-P200 HydrophobicContact CB-CG 4.02Å; I180-P200 HydrophobicContact CG2-CG 4.24Å; P200-E202 PolarHBondContact O-N 3.32Å; P200-E202 VanDerWaalsContact O-N 3.11Å; P200-L203 HydrophobicContact CG-CB 4.26Å; P200-L203 VanDerWaalsContact O-CB 3.22Å; P200-L203 WeakPolarHBondContact O-CB 3.26Å; P200-L203 PolarHBondContact O-N 3.41Å; P200-Y250 HydrophobicContact CB-CE2 4.47Å
201P97.1Very high94.9Very high16 Ų1632.4 Ų32.410%0.10419%0.186CC..G310 helixtrans-53.7-30.8178.1-26.534.1000113.4L203 G204 Y246 K247 Y250P201-L203 PolarHBondContact O-N 2.95Å; P201-G204 PolarHBondContact O-N 3.03Å; P201-Y246 HydrophobicContact CB-CD1 4.46Å; P201-Y246 HydrophobicContact CG-CD1 4.06Å; P201-Y246 HydrophobicContact CG-CE1 3.97Å; P201-K247 HydrophobicContact CB-CG 3.95Å; P201-K247 HydrophobicContact CG-CG 4.07Å; P201-Y250 HydrophobicContact CG-CD1 3.95Å; P201-Y250 HydrophobicContact CG-CG 3.95Å
202E97.1Very high94.6Very high74 Ų7440.8 Ų40.835%0.34622%0.222SC..G310 helixtrans-61.1-25.6177.3-63.274.4-163.100112.6A178 C181 P200 G204 I205A178-E202 HydrophobicContact CB-CB 4.42Å; A178-E202 HydrophobicContact CB-CG 4.07Å; C181-E202 HydrophobicContact CB-CB 3.78Å; C181-E202 WeakPolarHBondContact CB-O 3.34Å; P200-E202 PolarHBondContact O-N 3.32Å; P200-E202 VanDerWaalsContact O-N 3.11Å; E202-G204 PolarHBondContact O-N 2.77Å; E202-I205 HydrophobicContact CB-CD1 4.49Å; E202-I205 VanDerWaalsContact O-CB 3.29Å; E202-I205 WeakPolarHBondContact O-CB 3.42Å; E202-I205 WeakPolarHBondContact O-CG1 3.08Å; E202-I205 PolarHBondContact O-N 3Å
203L96.9Very high94.5Very high1 Ų142.1 Ų42.11%0.00523%0.229CC..G310 helixtrans-59.3-28.9172.7-176.763.3000111.6I180 L189 L199 P200 P201 I205 L206 L208 F238 I241I180-L203 HydrophobicContact CD1-CD1 4.21Å; I180-L203 HydrophobicContact CG1-CD1 4.39Å; I180-L203 HydrophobicContact CG2-CB 4.31Å; I180-L203 HydrophobicContact CG2-CD1 3.89Å; L189-L203 HydrophobicContact CD2-CD1 3.97Å; L189-L203 HydrophobicContact CD2-CD2 4.4Å; L199-L203 HydrophobicContact CB-CD2 4.2Å; L199-L203 HydrophobicContact CD1-CD2 4.1Å; L199-L203 HydrophobicContact CD2-CD2 3.79Å; L199-L203 HydrophobicContact CG-CD2 4.24Å; P200-L203 HydrophobicContact CG-CB 4.26Å; P200-L203 VanDerWaalsContact O-CB 3.22Å; P200-L203 WeakPolarHBondContact O-CB 3.26Å; P200-L203 PolarHBondContact O-N 3.41Å; P201-L203 PolarHBondContact O-N 2.95Å; L203-I205 PolarHBondContact O-N 3.37Å; L203-I205 VanDerWaalsContact O-N 3.13Å; L203-L206 HydrophobicContact CD1-CD1 3.87Å; L203-L206 HydrophobicContact CD1-CG 4.49Å; L203-L206 PolarHBondContact O-N 3.25Å; L203-L208 HydrophobicContact CD1-CD1 4.19Å; L203-F238 HydrophobicContact CD2-CZ 4.47Å; L203-F238 HydrophobicContact CG-CE1 4.17Å; L203-F238 HydrophobicContact CG-CZ 4.32Å; L203-I241 HydrophobicContact CB-CD1 4.27Å
204G95.2Very high94.5Very high3 Ų341.2 Ų41.23%0.03123%0.225CC..G310 helixtrans-60.8-18.117600000114.1P201 E202 L206 R242P201-G204 PolarHBondContact O-N 3.03Å; E202-G204 PolarHBondContact O-N 2.77Å; G204-L206 VanDerWaalsContact C-N 3.26Å; G204-L206 PolarHBondContact O-N 3.29Å; G204-R242 VanDerWaalsContact O-CZ 3.26Å; G204-R242 PolarHBondContact O-NE 2.85Å; G204-R242 PolarHBondContact O-NH2 3.39Å
205I94.4Very high94.4Very high124 Ų12441.4 Ų41.464%0.63623%0.228SC*.G310 helixtrans-68.2-29.1175.3-61.6171.2000111C181 E202 L203C181-I205 HydrophobicContact CB-CB 4.42Å; C181-I205 HydrophobicContact CB-CD1 4.15Å; E202-I205 HydrophobicContact CB-CD1 4.49Å; E202-I205 VanDerWaalsContact O-CB 3.29Å; E202-I205 WeakPolarHBondContact O-CB 3.42Å; E202-I205 WeakPolarHBondContact O-CG1 3.08Å; E202-I205 PolarHBondContact O-N 3Å; L203-I205 PolarHBondContact O-N 3.37Å; L203-I205 VanDerWaalsContact O-N 3.13Å
206L94.4Very high94.5Very high8 Ų845 Ų454%0.04224%0.244CC..SBendtrans-77.3132.6178.5-55.3-174.8000110.7C181 L183 L186 L203 G204 L208C181-L206 WeakPolarHBondContact O-CD2 3.47Å; L183-L206 WeakPolarHBondContact O-CD2 3.27Å; L186-L206 HydrophobicContact CB-CD1 4.44Å; L186-L206 HydrophobicContact CD2-CD1 4.05Å; L203-L206 HydrophobicContact CD1-CD1 3.87Å; L203-L206 HydrophobicContact CD1-CG 4.49Å; L203-L206 PolarHBondContact O-N 3.25Å; G204-L206 VanDerWaalsContact C-N 3.26Å; G204-L206 PolarHBondContact O-N 3.29Å; L206-L208 HydrophobicContact CB-CD1 4.14Å; L206-L208 HydrophobicContact CB-CG 3.94Å; L206-L208 HydrophobicContact CD1-CD1 4.21Å; L206-L208 PolarHBondContact O-N 2.89Å; L206-L208 VanDerWaalsContact O-N 3.14Å
207D86.7Confident94.5Very high101 Ų10145.3 Ų45.354%0.5425%0.246SC..  trans-83.981.4170.8-178.814.8000110.1C209 G210 Q213D207-C209 PolarHBondContact OD1-N 2.81Å; D207-G210 PolarHBondContact OD1-N 3.42Å; D207-Q213 WeakPolarHBondContact O-CG 3.28Å
208L92.6Very high94.5Very high1 Ų148 Ų481%0.00526%0.263CS..  trans-97.811.3177.5-65.1173.5000113.1L186 L189 L203 L206 Q213 A215 F238L186-L208 HydrophobicContact CB-CD2 4.46Å; L186-L208 HydrophobicContact CD2-CD1 4.5Å; L186-L208 HydrophobicContact CD2-CD2 4.42Å; L186-L208 HydrophobicContact CG-CD2 4.37Å; L186-L208 WeakPolarHBondContact O-CD2 3.33Å; L189-L208 HydrophobicContact CB-CD1 4.13Å; L189-L208 HydrophobicContact CD2-CD1 3.77Å; L203-L208 HydrophobicContact CD1-CD1 4.19Å; L206-L208 HydrophobicContact CB-CD1 4.14Å; L206-L208 HydrophobicContact CB-CG 3.94Å; L206-L208 HydrophobicContact CD1-CD1 4.21Å; L206-L208 PolarHBondContact O-N 2.89Å; L206-L208 VanDerWaalsContact O-N 3.14Å; L208-Q213 WeakPolarHBondContact O-CB 3.05Å; L208-A215 HydrophobicContact CB-CB 4.21Å; L208-F238 HydrophobicContact CB-CE1 4.01Å; L208-F238 HydrophobicContact CB-CE2 4.3Å; L208-F238 HydrophobicContact CB-CZ 3.68Å; L208-F238 HydrophobicContact CD1-CE1 4.11Å; L208-F238 HydrophobicContact CD1-CZ 3.74Å; L208-F238 HydrophobicContact CG-CE1 4.37Å; L208-F238 HydrophobicContact CG-CZ 4.22Å
209C90.8Very high94.4Very high48 Ų4849.8 Ų49.832%0.32428%0.284SS..SBendtrans-108.4-5-176.3-63.40000113.4D207 F238D207-C209 PolarHBondContact OD1-N 2.81Å; C209-F238 WeakPolarHBondContact SG-CD2 3.05Å; C209-F238 VanDerWaalsContact SG-CG 3.57Å
210G90.2Very high94.3Very high16 Ų1650.5 Ų50.517%0.16529%0.287CS..SBendtrans-70.1170178.200000114.2D207 K212 Q213D207-G210 PolarHBondContact OD1-N 3.42Å; G210-K212 PolarHBondContact O-N 3.11Å; G210-K212 VanDerWaalsContact O-N 3.15Å; G210-Q213 PolarHBondContact O-N 2.95Å; G210-Q213 VanDerWaalsContact O-N 3.09Å; G210-Q213 PolarHBondContact O-OE1 2.88Å; G210-Q213 VanDerWaalsContact O-OE1 3.14Å
211P90.1Very high94.2Very high140 Ų14052.3 Ų52.391%0.90930%0.297SS*.THydrogen-bonded Turntrans-69-13.6-173.128.1-36.5000114.7
212K92Very high94.2Very high175 Ų17552.5 Ų52.576%0.76130%0.296SS*.THydrogen-bonded Turntrans-108.29.8177.2-64.8-174.9-179.8179.30111.9G210G210-K212 PolarHBondContact O-N 3.11Å; G210-K212 VanDerWaalsContact O-N 3.15Å
213Q94.8Very high94.1Very high54 Ų5450.6 Ų50.625%0.25229%0.289SS..  trans-113.2148.4-175.3-69.986.3-4.900111K187 D207 L208 G210K187-Q213 CarbonylContact O-C 3.55Å; K187-Q213 WeakPolarHBondContact O-CA 2.91Å; D207-Q213 WeakPolarHBondContact O-CG 3.28Å; L208-Q213 WeakPolarHBondContact O-CB 3.05Å; G210-Q213 PolarHBondContact O-N 2.95Å; G210-Q213 VanDerWaalsContact O-N 3.09Å; G210-Q213 PolarHBondContact O-OE1 2.88Å; G210-Q213 VanDerWaalsContact O-OE1 3.14Å
214V95.3Very high94Very high46 Ų4654.3 Ų54.328%0.27932%0.315SS..EExtended strand (participates in β ladder)trans-137.8102.7-177.3-176.50000108.3K187 E188 L189 K216K187-V214 PolarHBondContact O-N 3.15Å; E188-V214 CarbonylContact C-O 3.23Å; E188-V214 VanDerWaalsContact CA-O 3.27Å; E188-V214 WeakPolarHBondContact CA-O 3.43Å; E188-V214 HydrophobicContact CG-CB 4.08Å; E188-V214 HydrophobicContact CG-CG2 4.4Å; L189-V214 PolarHBondContact N-O 3.46Å; V214-K216 HydrophobicContact CG1-CD 4.16Å; V214-K216 HydrophobicContact CG1-CG 3.95Å
215A96.7Very high94.1Very high11 Ų1156 Ų569%0.09133%0.326CS..EExtended strand (participates in β ladder)trans-106132.7163.200000110.3L189 L208 L234 F238L189-A215 CarbonylContact O-C 3.07Å; L189-A215 VanDerWaalsContact O-CA 3.31Å; L189-A215 WeakPolarHBondContact O-CA 2.96Å; L208-A215 HydrophobicContact CB-CB 4.21Å; A215-L234 HydrophobicContact CB-CD1 4.07Å; A215-L234 HydrophobicContact CB-CD2 3.7Å; A215-L234 HydrophobicContact CB-CG 4.46Å; A215-F238 HydrophobicContact CB-CE2 4.49Å
216K96.9Very high94.2Very high100 Ų10050.1 Ų50.144%0.43530%0.296SS..EExtended strand (participates in β ladder)trans-123.8112.2179.9-59.3-67.2-169.3-171.60109.7L189 L191 Q192 V214L189-K216 PolarHBondContact O-N 2.71Å; L191-K216 CarbonylContact C-O 3.48Å; L191-K216 WeakPolarHBondContact CA-O 3.27Å; L191-K216 PolarHBondContact N-O 2.58Å; Q192-K216 HydrophobicContact CG-CB 3.65Å; Q192-K216 PolarHBondContact N-O 2.96Å; V214-K216 HydrophobicContact CG1-CD 4.16Å; V214-K216 HydrophobicContact CG1-CG 3.95Å
217L96.9Very high94.3Very high7 Ų753.1 Ų53.14%0.03731%0.309CS..  trans-115.2-2-169.5-56.9-178.2000113.9L191 L199 N220 W222 L230 L234 V237L191-L217 HydrophobicContact CB-CD2 4.17Å; L191-L217 HydrophobicContact CD1-CD2 3.63Å; L191-L217 HydrophobicContact CG-CD2 4.42Å; L199-L217 HydrophobicContact CD1-CD1 4.1Å; L217-N220 PolarHBondContact O-ND2 2.89Å; L217-W222 HydrophobicContact CB-CZ2 3.88Å; L217-W222 HydrophobicContact CD2-CZ2 4.43Å; L217-W222 WeakPolarHBondContact O-CZ2 3.33Å; L217-W222 PolarHBondContact O-NE1 3.05Å; L217-L230 HydrophobicContact CB-CD2 4.01Å; L217-L230 HydrophobicContact CD1-CD2 4.09Å; L217-L234 HydrophobicContact CD1-CD1 3.65Å; L217-L234 HydrophobicContact CG-CD1 4.21Å; L217-V237 HydrophobicContact CD1-CG1 4.23Å
218S95.7Very high94.8Very high74 Ų7452.5 Ų52.552%0.51731%0.306SS..  trans-64.6150.8-172.757.50000114Q192 N193Q192-S218 CarbonylContact C-O 3.6Å; Q192-S218 WeakPolarHBondContact CA-O 3.23Å; Q192-S218 WeakPolarHBondContact CB-O 3.29Å; Q192-S218 WeakPolarHBondContact CG-OG 3.18Å; N193-S218 PolarHBondContact N-O 2.91Å
219G94.8Very high95Very high46 Ų4654.8 Ų54.847%0.47432%0.317SS..SBendtrans80.324.417200000114.6N193N193-G219 VanDerWaalsContact CA-O 3.29Å; N193-G219 WeakPolarHBondContact CA-O 2.94Å
220N95.9Very high95.2Very high14 Ų1454.5 Ų54.58%0.07531%0.312CS..SBendtrans-103.7-179172.3-78.7-77.6000110.4L191 N194 L196 L217 W222 R261L191-N220 PolarHBondContact O-ND2 3.24Å; N194-N220 VanDerWaalsContact CA-OD1 3.27Å; N194-N220 WeakPolarHBondContact CA-OD1 3.22Å; N194-N220 WeakPolarHBondContact CB-OD1 3.48Å; N194-N220 PolarHBondContact N-OD1 2.9Å; N194-N220 PolarHBondContact O-OD1 2.87Å; L196-N220 HydrophobicContact CB-CB 4.23Å; L196-N220 VanDerWaalsContact CB-OD1 3.32Å; L196-N220 WeakPolarHBondContact CB-OD1 3.31Å; L196-N220 PolarHBondContact N-OD1 2.76Å; L196-N220 VanDerWaalsContact N-OD1 3.1Å; L196-N220 WeakPolarHBondContact O-CB 3.25Å; L217-N220 PolarHBondContact O-ND2 2.89Å; N220-W222 HydrophobicContact CB-CD2 3.97Å; N220-W222 VanDerWaalsContact CB-CE2 3.44Å; N220-W222 HydrophobicContact CB-CG 4.3Å; N220-W222 HydrophobicContact CB-CH2 4.35Å; N220-W222 HydrophobicContact CB-CZ2 3.67Å; N220-R261 VanDerWaalsContact C-NH2 3.26Å; N220-R261 PolarHBondContact O-NH2 2.9Å
221D94.2Very high95.4Very high40 Ų4060.6 Ų60.621%0.21434%0.336CS..  trans-106.454.4172.915.6178000112.3R195 L196 A197 V223 R261R195-D221 WeakPolarHBondContact CA-OD2 3.24Å; L196-D221 CarbonylContact O-C 3.21Å; L196-D221 PolarHBondContact O-N 3.02Å; A197-D221 VanDerWaalsContact CA-O 3.24Å; A197-D221 WeakPolarHBondContact CA-O 3.39Å; A197-D221 WeakPolarHBondContact CB-O 3.21Å; D221-V223 PolarHBondContact O-N 2.84Å; D221-R261 VanDerWaalsContact CB-CZ 3.48Å; D221-R261 WeakPolarHBondContact OD1-CB 3.44Å; D221-R261 VanDerWaalsContact OD1-CD 3.27Å; D221-R261 WeakPolarHBondContact OD1-CD 3.1Å; D221-R261 WeakPolarHBondContact OD1-CG 3.43Å; D221-R261 IonicContact OD1-CZ 3.79Å; D221-R261 IonicContact OD1-NE 2.62Å; D221-R261 PolarHBondContact OD1-NE 3.2Å; D221-R261 IonicContact OD1-NH2 3.59Å; D221-R261 IonicContact OD2-CZ 3.8Å; D221-R261 IonicContact OD2-NE 3.15Å; D221-R261 PolarHBondContact OD2-NE 3.29Å; D221-R261 IonicContact OD2-NH2 2.66Å; D221-R261 PolarHBondContact OD2-NH2 3.14Å
222W96.1Very high95.7Very high20 Ų2058.4 Ų58.48%0.07632%0.32CS..  trans-50.5137.6176.5-59.3122.9000111.9L196 L199 L217 N220 I226 E227 L230L196-W222 HydrophobicContact CB-CE3 4.38Å; L196-W222 HydrophobicContact CB-CH2 3.52Å; L196-W222 HydrophobicContact CB-CZ2 4.3Å; L196-W222 HydrophobicContact CB-CZ3 3.58Å; L196-W222 HydrophobicContact CD1-CH2 3.77Å; L196-W222 HydrophobicContact CD1-CZ2 4.45Å; L196-W222 HydrophobicContact CG-CH2 4.29Å; L196-W222 PolarHBondContact O-N 3.46Å; L199-W222 HydrophobicContact CD1-CH2 4.35Å; L199-W222 HydrophobicContact CD1-CZ3 4.44Å; L199-W222 HydrophobicContact CD2-CH2 3.55Å; L199-W222 HydrophobicContact CD2-CZ3 3.87Å; L199-W222 HydrophobicContact CG-CH2 3.82Å; L199-W222 HydrophobicContact CG-CZ3 3.71Å; L217-W222 HydrophobicContact CB-CZ2 3.88Å; L217-W222 HydrophobicContact CD2-CZ2 4.43Å; L217-W222 WeakPolarHBondContact O-CZ2 3.33Å; L217-W222 PolarHBondContact O-NE1 3.05Å; N220-W222 HydrophobicContact CB-CD2 3.97Å; N220-W222 VanDerWaalsContact CB-CE2 3.44Å; N220-W222 HydrophobicContact CB-CG 4.3Å; N220-W222 HydrophobicContact CB-CH2 4.35Å; N220-W222 HydrophobicContact CB-CZ2 3.67Å; W222-I226 HydrophobicContact CB-CB 4.06Å; W222-I226 HydrophobicContact CB-CG2 3.9Å; W222-I226 HydrophobicContact CD2-CG2 3.77Å; W222-I226 HydrophobicContact CE3-CD1 3.97Å; W222-I226 HydrophobicContact CE3-CG2 3.89Å; W222-I226 HydrophobicContact CG-CB 4.47Å; W222-I226 HydrophobicContact CG-CG2 3.78Å; W222-E227 HydrophobicContact CB-CB 4.33Å; W222-L230 HydrophobicContact CD2-CD1 4.4Å; W222-L230 HydrophobicContact CG-CD1 3.86Å; W222-L230 VanDerWaalsContact NE1-CD1 3.33Å
223V95.4Very high95.8Very high33 Ų3351.1 Ų51.120%0.229%0.294CS..  trans-58.2146.5165.2-65.60000109.7A197 V198 D221 P225 I226 E227 L249A197-V223 PolarHBondContact O-N 3.46Å; V198-V223 HydrophobicContact CG1-CG1 4.13Å; V198-V223 HydrophobicContact CG1-CG2 4.18Å; D221-V223 PolarHBondContact O-N 2.84Å; V223-P225 VanDerWaalsContact C-N 3.25Å; V223-I226 HydrophobicContact CG2-CB 4.25Å; V223-I226 HydrophobicContact CG2-CD1 3.93Å; V223-I226 HydrophobicContact CG2-CG1 3.86Å; V223-I226 PolarHBondContact O-N 3.3Å; V223-E227 PolarHBondContact O-N 3Å; V223-E227 VanDerWaalsContact O-N 3.12Å; V223-L249 HydrophobicContact CG2-CD2 4.15Å
224S95.9Very high95.8Very high79 Ų7950.8 Ų50.855%0.55229%0.294SS*.Hα-helixtrans-44.4-44.8-177.4-167.90000113.5I226 E227 D228S224-I226 VanDerWaalsContact C-N 3.33Å; S224-I226 PolarHBondContact O-N 2.7Å; S224-E227 PolarHBondContact O-N 3.39Å; S224-E227 VanDerWaalsContact O-N 3.14Å; S224-D228 WeakPolarHBondContact O-CB 3.29Å; S224-D228 PolarHBondContact O-N 2.84Å; S224-D228 VanDerWaalsContact O-OD2 3.08Å; S224-D228 PolarHBondContact OG-OD2 2.94Å
225P96.4Very high95.7Very high40 Ų4051.3 Ų51.326%0.2630%0.299SS..Hα-helixtrans-61.3-35.7180-26.737.5000115V223 Q229 Y240 L249V223-P225 VanDerWaalsContact C-N 3.25Å; P225-Q229 WeakPolarHBondContact O-CG 3.36Å; P225-Q229 PolarHBondContact O-N 2.67Å; P225-Y240 HydrophobicContact CB-CE1 3.67Å; P225-Y240 WeakPolarHBondContact CB-OH 3.34Å; P225-L249 HydrophobicContact CB-CD1 4.48Å; P225-L249 HydrophobicContact CG-CD1 3.92Å
226I96.8Very high95.7Very high0 Ų054.5 Ų54.50%031%0.312CS..Hα-helixtrans-72.5-42.8175.2-67177.7000109.8V198 W222 V223 S224 D228 Q229 L230 V237 Y240 Y246V198-I226 HydrophobicContact CB-CD1 4.48Å; W222-I226 HydrophobicContact CB-CB 4.06Å; W222-I226 HydrophobicContact CB-CG2 3.9Å; W222-I226 HydrophobicContact CD2-CG2 3.77Å; W222-I226 HydrophobicContact CE3-CD1 3.97Å; W222-I226 HydrophobicContact CE3-CG2 3.89Å; W222-I226 HydrophobicContact CG-CB 4.47Å; W222-I226 HydrophobicContact CG-CG2 3.78Å; V223-I226 HydrophobicContact CG2-CB 4.25Å; V223-I226 HydrophobicContact CG2-CD1 3.93Å; V223-I226 HydrophobicContact CG2-CG1 3.86Å; V223-I226 PolarHBondContact O-N 3.3Å; S224-I226 VanDerWaalsContact C-N 3.33Å; S224-I226 PolarHBondContact O-N 2.7Å; I226-D228 VanDerWaalsContact C-N 3.31Å; I226-D228 PolarHBondContact O-N 3.25Å; I226-Q229 PolarHBondContact O-N 3.05Å; I226-Q229 VanDerWaalsContact O-N 3.16Å; I226-L230 HydrophobicContact CG2-CD1 3.98Å; I226-L230 HydrophobicContact CG2-CG 4.37Å; I226-L230 WeakPolarHBondContact O-CG 3.42Å; I226-L230 PolarHBondContact O-N 3.02Å; I226-V237 HydrophobicContact CG2-CG1 4.37Å; I226-Y240 HydrophobicContact CG1-CD1 4.44Å; I226-Y240 HydrophobicContact CG1-CE1 4.25Å; I226-Y246 HydrophobicContact CD1-CE2 3.81Å; I226-Y246 HydrophobicContact CG1-CE2 3.94Å
227E96.1Very high95.7Very high71 Ų7149.8 Ų49.833%0.33229%0.292SS..Hα-helixtrans-59.3-44.2177.6-169.161-142.700111W222 V223 S224 Q229 L230 Q231W222-E227 HydrophobicContact CB-CB 4.33Å; V223-E227 PolarHBondContact O-N 3Å; V223-E227 VanDerWaalsContact O-N 3.12Å; S224-E227 PolarHBondContact O-N 3.39Å; S224-E227 VanDerWaalsContact O-N 3.14Å; E227-Q229 VanDerWaalsContact C-N 3.3Å; E227-Q229 PolarHBondContact O-N 2.9Å; E227-L230 WeakPolarHBondContact O-CB 3.34Å; E227-L230 PolarHBondContact O-N 3.47Å; E227-L230 VanDerWaalsContact O-N 3.09Å; E227-Q231 WeakPolarHBondContact O-CG 3.27Å; E227-Q231 PolarHBondContact O-N 2.98Å; E227-Q231 VanDerWaalsContact O-N 3.08Å; E227-Q231 PolarHBondContact OE1-NE2 3.5Å; E227-Q231 VanDerWaalsContact OE1-NE2 3.1Å
228D96.9Very high95.7Very high87 Ų8749.5 Ų49.547%0.46529%0.29SS..Hα-helixtrans-59.1-40.8176.1-63.7-29.6000111.4S224 I226S224-D228 WeakPolarHBondContact O-CB 3.29Å; S224-D228 PolarHBondContact O-N 2.84Å; S224-D228 VanDerWaalsContact O-OD2 3.08Å; S224-D228 PolarHBondContact OG-OD2 2.94Å; I226-D228 VanDerWaalsContact C-N 3.31Å; I226-D228 PolarHBondContact O-N 3.25Å
229Q96.7Very high95.7Very high49 Ų4950.4 Ų50.423%0.22929%0.289CS..Hα-helixtrans-69.5-36.9174.6-64.5-34.6-65.300112.8P225 I226 E227 Q231 V232 G233 H236 V237 Y240P225-Q229 WeakPolarHBondContact O-CG 3.36Å; P225-Q229 PolarHBondContact O-N 2.67Å; I226-Q229 PolarHBondContact O-N 3.05Å; I226-Q229 VanDerWaalsContact O-N 3.16Å; E227-Q229 VanDerWaalsContact C-N 3.3Å; E227-Q229 PolarHBondContact O-N 2.9Å; Q229-Q231 VanDerWaalsContact C-N 3.26Å; Q229-Q231 PolarHBondContact O-N 3.36Å; Q229-V232 PolarHBondContact O-N 3.1Å; Q229-V232 VanDerWaalsContact O-N 3.08Å; Q229-G233 PolarHBondContact O-N 3.2Å; Q229-G233 VanDerWaalsContact O-O 3.14Å; Q229-H236 HydrophobicContact CB-CB 4.23Å; Q229-V237 HydrophobicContact CB-CB 4.4Å; Q229-V237 HydrophobicContact CB-CG2 3.78Å; Q229-Y240 HydrophobicContact CG-CD1 3.94Å; Q229-Y240 HydrophobicContact CG-CG 3.82Å
230L95.4Very high95.8Very high42 Ų4249.9 Ų49.922%0.2227%0.273CS..Hα-helixtrans-61.5-35.4177.4-81.1165.9000112L217 W222 I226 E227 V232 G233 V237L217-L230 HydrophobicContact CB-CD2 4.01Å; L217-L230 HydrophobicContact CD1-CD2 4.09Å; W222-L230 HydrophobicContact CD2-CD1 4.4Å; W222-L230 HydrophobicContact CG-CD1 3.86Å; W222-L230 VanDerWaalsContact NE1-CD1 3.33Å; I226-L230 HydrophobicContact CG2-CD1 3.98Å; I226-L230 HydrophobicContact CG2-CG 4.37Å; I226-L230 WeakPolarHBondContact O-CG 3.42Å; I226-L230 PolarHBondContact O-N 3.02Å; E227-L230 WeakPolarHBondContact O-CB 3.34Å; E227-L230 PolarHBondContact O-N 3.47Å; E227-L230 VanDerWaalsContact O-N 3.09Å; L230-V232 PolarHBondContact O-N 3.11Å; L230-G233 PolarHBondContact O-N 3.45Å; L230-V237 HydrophobicContact CB-CG2 4.31Å; L230-V237 HydrophobicContact CD2-CG2 3.66Å; L230-V237 HydrophobicContact CG-CG2 3.63Å
231Q94.9Very high95.8Very high145 Ų14549.2 Ų49.268%0.67827%0.27SS*.Hα-helixtrans-64.6-29.4175.1-63.2-56.2-44.500112.6E227 Q229E227-Q231 WeakPolarHBondContact O-CG 3.27Å; E227-Q231 PolarHBondContact O-N 2.98Å; E227-Q231 VanDerWaalsContact O-N 3.08Å; E227-Q231 PolarHBondContact OE1-NE2 3.5Å; E227-Q231 VanDerWaalsContact OE1-NE2 3.1Å; Q229-Q231 VanDerWaalsContact C-N 3.26Å; Q229-Q231 PolarHBondContact O-N 3.36Å
232V95.4Very high95.9Very high93 Ų9351.9 Ų51.956%0.56428%0.277SS*.Hα-helixtrans-81.2-46.8176.3-171.70000110.8Q229 L230 H236Q229-V232 PolarHBondContact O-N 3.1Å; Q229-V232 VanDerWaalsContact O-N 3.08Å; L230-V232 PolarHBondContact O-N 3.11Å; V232-H236 HydrophobicContact CB-CB 4.22Å; V232-H236 HydrophobicContact CG1-CB 4.43Å; V232-H236 VanDerWaalsContact CG1-CD2 3.48Å; V232-H236 WeakPolarHBondContact CG1-CD2 3.38Å; V232-H236 WeakPolarHBondContact CG1-NE2 3.25Å
233G94.1Very high96Very high22 Ų2252.6 Ų52.623%0.22729%0.285CS..  trans156.7164.8176.500000113.3Q229 L230 S235 H236 V237Q229-G233 PolarHBondContact O-N 3.2Å; Q229-G233 VanDerWaalsContact O-O 3.14Å; L230-G233 PolarHBondContact O-N 3.45Å; G233-S235 VanDerWaalsContact C-N 3.29Å; G233-S235 PolarHBondContact O-N 3.1Å; G233-H236 WeakPolarHBondContact O-CB 3.5Å; G233-H236 PolarHBondContact O-N 3.34Å; G233-H236 VanDerWaalsContact O-N 3.12Å; G233-V237 PolarHBondContact O-N 2.98Å
234L94.7Very high96.1Very high48 Ų4857.5 Ų57.525%0.25131%0.305SS..Hα-helixtrans-59.5-38-175.9-17367.8000112.9A215 L217 H236 V237 F238A215-L234 HydrophobicContact CB-CD1 4.07Å; A215-L234 HydrophobicContact CB-CD2 3.7Å; A215-L234 HydrophobicContact CB-CG 4.46Å; L217-L234 HydrophobicContact CD1-CD1 3.65Å; L217-L234 HydrophobicContact CG-CD1 4.21Å; L234-H236 VanDerWaalsContact C-N 3.28Å; L234-H236 PolarHBondContact O-N 2.78Å; L234-V237 WeakPolarHBondContact O-CB 3.32Å; L234-V237 PolarHBondContact O-N 3.49Å; L234-V237 VanDerWaalsContact O-N 3.16Å; L234-F238 HydrophobicContact CD1-CD2 4.16Å; L234-F238 HydrophobicContact CD1-CE2 3.85Å; L234-F238 HydrophobicContact CG-CD2 4.1Å; L234-F238 HydrophobicContact CG-CE2 4.07Å; L234-F238 WeakPolarHBondContact O-CD2 3.27Å; L234-F238 PolarHBondContact O-N 3.01Å; L234-F238 VanDerWaalsContact O-N 3.15Å
235S94.9Very high96.1Very high56 Ų5658.6 Ų58.639%0.39231%0.309SS..Hα-helixtrans-57.8-41.3177.152.20000112.4G233 V237 F238 D239G233-S235 VanDerWaalsContact C-N 3.29Å; G233-S235 PolarHBondContact O-N 3.1Å; S235-V237 VanDerWaalsContact C-N 3.32Å; S235-V237 PolarHBondContact O-N 3.25Å; S235-F238 PolarHBondContact O-N 2.78Å; S235-F238 VanDerWaalsContact O-N 3.17Å; S235-D239 PolarHBondContact O-N 3.1Å
236H96Very high96.2Very high79 Ų7956.7 Ų56.737%0.36630%0.297SS..Hα-helixtrans-65.1-35.8178.4-76.2-105.3000112.3Q229 V232 G233 L234 Y240Q229-H236 HydrophobicContact CB-CB 4.23Å; V232-H236 HydrophobicContact CB-CB 4.22Å; V232-H236 HydrophobicContact CG1-CB 4.43Å; V232-H236 VanDerWaalsContact CG1-CD2 3.48Å; V232-H236 WeakPolarHBondContact CG1-CD2 3.38Å; V232-H236 WeakPolarHBondContact CG1-NE2 3.25Å; G233-H236 WeakPolarHBondContact O-CB 3.5Å; G233-H236 PolarHBondContact O-N 3.34Å; G233-H236 VanDerWaalsContact O-N 3.12Å; L234-H236 VanDerWaalsContact C-N 3.28Å; L234-H236 PolarHBondContact O-N 2.78Å; H236-Y240 VanDerWaalsContact O-CB 3.23Å; H236-Y240 WeakPolarHBondContact O-CB 3.05Å; H236-Y240 PolarHBondContact O-N 3.29Å
237V96.5Very high96.2Very high0 Ų060.1 Ų60.10%031%0.312CS..Hα-helixtrans-61.3-48.7172.7-178.80000109.9L199 L217 I226 Q229 L230 G233 L234 S235 D239 Y240 I241L199-V237 HydrophobicContact CD1-CG1 4.1Å; L217-V237 HydrophobicContact CD1-CG1 4.23Å; I226-V237 HydrophobicContact CG2-CG1 4.37Å; Q229-V237 HydrophobicContact CB-CB 4.4Å; Q229-V237 HydrophobicContact CB-CG2 3.78Å; L230-V237 HydrophobicContact CB-CG2 4.31Å; L230-V237 HydrophobicContact CD2-CG2 3.66Å; L230-V237 HydrophobicContact CG-CG2 3.63Å; G233-V237 PolarHBondContact O-N 2.98Å; L234-V237 WeakPolarHBondContact O-CB 3.32Å; L234-V237 PolarHBondContact O-N 3.49Å; L234-V237 VanDerWaalsContact O-N 3.16Å; S235-V237 VanDerWaalsContact C-N 3.32Å; S235-V237 PolarHBondContact O-N 3.25Å; V237-D239 PolarHBondContact O-N 2.91Å; V237-Y240 PolarHBondContact O-N 3.49Å; V237-I241 HydrophobicContact CG1-CG2 4.4Å; V237-I241 WeakPolarHBondContact O-CG2 3.5Å; V237-I241 PolarHBondContact O-N 3.23Å
238F96.1Very high96.2Very high1 Ų163.5 Ų63.50%0.00433%0.326CS..Hα-helixtrans-65.9-37.2-178.9-85.8-99.3000112.8L203 L208 C209 A215 L234 S235 I241 R242L203-F238 HydrophobicContact CD2-CZ 4.47Å; L203-F238 HydrophobicContact CG-CE1 4.17Å; L203-F238 HydrophobicContact CG-CZ 4.32Å; L208-F238 HydrophobicContact CB-CE1 4.01Å; L208-F238 HydrophobicContact CB-CE2 4.3Å; L208-F238 HydrophobicContact CB-CZ 3.68Å; L208-F238 HydrophobicContact CD1-CE1 4.11Å; L208-F238 HydrophobicContact CD1-CZ 3.74Å; L208-F238 HydrophobicContact CG-CE1 4.37Å; L208-F238 HydrophobicContact CG-CZ 4.22Å; C209-F238 WeakPolarHBondContact SG-CD2 3.05Å; C209-F238 VanDerWaalsContact SG-CG 3.57Å; A215-F238 HydrophobicContact CB-CE2 4.49Å; L234-F238 HydrophobicContact CD1-CD2 4.16Å; L234-F238 HydrophobicContact CD1-CE2 3.85Å; L234-F238 HydrophobicContact CG-CD2 4.1Å; L234-F238 HydrophobicContact CG-CE2 4.07Å; L234-F238 WeakPolarHBondContact O-CD2 3.27Å; L234-F238 PolarHBondContact O-N 3.01Å; L234-F238 VanDerWaalsContact O-N 3.15Å; S235-F238 PolarHBondContact O-N 2.78Å; S235-F238 VanDerWaalsContact O-N 3.17Å; F238-I241 HydrophobicContact CD1-CD1 4.15Å; F238-I241 HydrophobicContact CE1-CD1 4.41Å; F238-I241 HydrophobicContact CG-CD1 4.41Å; F238-I241 WeakPolarHBondContact O-CG1 3.45Å; F238-R242 WeakPolarHBondContact O-CD 3.41Å; F238-R242 WeakPolarHBondContact O-CG 3.27Å; F238-R242 PolarHBondContact O-N 3.06Å
239D95.8Very high96.2Very high93 Ų9361.4 Ų61.450%0.49731%0.314SS..Hα-helixtrans-67.3-40.2173.9-68.9-20000111.6S235 V237 R242 S243S235-D239 PolarHBondContact O-N 3.1Å; V237-D239 PolarHBondContact O-N 2.91Å; D239-R242 PolarHBondContact O-N 2.56Å; D239-R242 IonicContact OD1-NH1 2.98Å; D239-R242 PolarHBondContact OD1-NH1 3.43Å; D239-S243 PolarHBondContact O-N 3.16Å
240Y97.2Very high96.1Very high36 Ų3661.1 Ų61.114%0.14131%0.311CS..Hα-helixtrans-65.1-46.3176.8179.3-120000112.1P225 I226 Q229 H236 V237 R242 S243 Y246P225-Y240 HydrophobicContact CB-CE1 3.67Å; P225-Y240 WeakPolarHBondContact CB-OH 3.34Å; I226-Y240 HydrophobicContact CG1-CD1 4.44Å; I226-Y240 HydrophobicContact CG1-CE1 4.25Å; Q229-Y240 HydrophobicContact CG-CD1 3.94Å; Q229-Y240 HydrophobicContact CG-CG 3.82Å; H236-Y240 VanDerWaalsContact O-CB 3.23Å; H236-Y240 WeakPolarHBondContact O-CB 3.05Å; H236-Y240 PolarHBondContact O-N 3.29Å; V237-Y240 PolarHBondContact O-N 3.49Å; Y240-R242 PolarHBondContact O-N 2.85Å; Y240-S243 VanDerWaalsContact O-CB 3.27Å; Y240-S243 WeakPolarHBondContact O-CB 3.29Å; Y240-S243 PolarHBondContact O-N 3.34Å; Y240-S243 PolarHBondContact O-OG 3.11Å; Y240-Y246 AromaticContact CD1-CD2 3.82Å; Y240-Y246 HydrophobicContact CD1-CD2 3.82Å; Y240-Y246 HydrophobicContact CD1-CE2 4.43Å; Y240-Y246 HydrophobicContact CD1-CG 4.4Å; Y240-Y246 AromaticContact CE1-CD2 3.32Å; Y240-Y246 HydrophobicContact CE1-CD2 3.32Å; Y240-Y246 AromaticContact CE1-CE2 4Å; Y240-Y246 HydrophobicContact CE1-CE2 4Å; Y240-Y246 HydrophobicContact CE1-CG 4.18Å; Y240-Y246 AromaticContact CZ-CD2 3.79Å; Y240-Y246 WeakPolarHBondContact O-CB 3.41Å
241I97.2Very high96.1Very high0 Ų065.4 Ų65.40%033%0.33CS..Hα-helixtrans-66.8-19.9-179.568.4-179.5000113.5L199 L203 V237 F238 Y246L199-I241 HydrophobicContact CB-CG2 4.42Å; L203-I241 HydrophobicContact CB-CD1 4.27Å; V237-I241 HydrophobicContact CG1-CG2 4.4Å; V237-I241 WeakPolarHBondContact O-CG2 3.5Å; V237-I241 PolarHBondContact O-N 3.23Å; F238-I241 HydrophobicContact CD1-CD1 4.15Å; F238-I241 HydrophobicContact CE1-CD1 4.41Å; F238-I241 HydrophobicContact CG-CD1 4.41Å; F238-I241 WeakPolarHBondContact O-CG1 3.45Å; I241-Y246 HydrophobicContact CB-CD1 3.72Å; I241-Y246 HydrophobicContact CB-CE1 3.67Å; I241-Y246 HydrophobicContact CB-CG 4.32Å; I241-Y246 HydrophobicContact CG2-CD1 3.98Å; I241-Y246 HydrophobicContact CG2-CD2 4.4Å; I241-Y246 HydrophobicContact CG2-CE1 3.63Å; I241-Y246 HydrophobicContact CG2-CE2 4.1Å; I241-Y246 HydrophobicContact CG2-CG 4.31Å; I241-Y246 WeakPolarHBondContact O-CD1 3.06Å
242R96.5Very high96.1Very high96 Ų9667.3 Ų67.336%0.36233%0.331SS..Hα-helixtrans-76.9-20.8171.9-70.8168.2-170.2127.65.5113.2G204 F238 D239 Y240G204-R242 VanDerWaalsContact O-CZ 3.26Å; G204-R242 PolarHBondContact O-NE 2.85Å; G204-R242 PolarHBondContact O-NH2 3.39Å; F238-R242 WeakPolarHBondContact O-CD 3.41Å; F238-R242 WeakPolarHBondContact O-CG 3.27Å; F238-R242 PolarHBondContact O-N 3.06Å; D239-R242 PolarHBondContact O-N 2.56Å; D239-R242 IonicContact OD1-NH1 2.98Å; D239-R242 PolarHBondContact OD1-NH1 3.43Å; Y240-R242 PolarHBondContact O-N 2.85Å
243S97.2Very high96Very high35 Ų3564.8 Ų64.825%0.24531%0.313CS..SBendtrans-70.4148.6-174.375.50000113D239 Y240 T245 Y246 K247D239-S243 PolarHBondContact O-N 3.16Å; Y240-S243 VanDerWaalsContact O-CB 3.27Å; Y240-S243 WeakPolarHBondContact O-CB 3.29Å; Y240-S243 PolarHBondContact O-N 3.34Å; Y240-S243 PolarHBondContact O-OG 3.11Å; S243-T245 PolarHBondContact O-N 2.96Å; S243-Y246 PolarHBondContact O-N 3.45Å; S243-Y246 VanDerWaalsContact O-N 3.16Å; S243-Y246 WeakPolarHBondContact OG-CB 3.43Å; S243-Y246 PolarHBondContact OG-N 3.39Å; S243-Y246 VanDerWaalsContact OG-N 3.13Å; S243-K247 PolarHBondContact O-N 3.26Å; S243-K247 VanDerWaalsContact O-N 3.11Å
244E97Very high95.9Very high135 Ų13567.8 Ų67.863%0.63132%0.323SS*.Hα-helixtrans-59.8-35.6172.7-67.4-55.7131.300112.1Y246 K247 F248E244-Y246 VanDerWaalsContact C-N 3.3Å; E244-Y246 PolarHBondContact O-N 3.2Å; E244-K247 PolarHBondContact O-N 3.48Å; E244-K247 IonicContact OE1-NZ 2.72Å; E244-K247 PolarHBondContact OE1-NZ 2.89Å; E244-F248 PolarHBondContact O-N 3.17Å; E244-F248 VanDerWaalsContact O-N 3.1Å
245T96.4Very high95.8Very high103 Ų10369.7 Ų69.763%0.63235%0.346SS*.Hα-helixtrans-57-45175-54.80000111.4S243 L249S243-T245 PolarHBondContact O-N 2.96Å; T245-L249 PolarHBondContact O-N 3.27Å
246Y97.6Very high95.5Very high0 Ų069.7 Ų69.70%035%0.349CS..Hα-helixtrans-69.6-40.6177.8-179.6-101.5000112.5L199 P201 I226 Y240 I241 S243 E244 F248 L249 Y250L199-Y246 PolarHBondContact N-OH 2.66Å; L199-Y246 VanDerWaalsContact O-CE1 3.27Å; L199-Y246 WeakPolarHBondContact O-CE1 3.27Å; L199-Y246 PolarHBondContact O-OH 2.9Å; P201-Y246 HydrophobicContact CB-CD1 4.46Å; P201-Y246 HydrophobicContact CG-CD1 4.06Å; P201-Y246 HydrophobicContact CG-CE1 3.97Å; I226-Y246 HydrophobicContact CD1-CE2 3.81Å; I226-Y246 HydrophobicContact CG1-CE2 3.94Å; Y240-Y246 AromaticContact CD1-CD2 3.82Å; Y240-Y246 HydrophobicContact CD1-CD2 3.82Å; Y240-Y246 HydrophobicContact CD1-CE2 4.43Å; Y240-Y246 HydrophobicContact CD1-CG 4.4Å; Y240-Y246 AromaticContact CE1-CD2 3.32Å; Y240-Y246 HydrophobicContact CE1-CD2 3.32Å; Y240-Y246 AromaticContact CE1-CE2 4Å; Y240-Y246 HydrophobicContact CE1-CE2 4Å; Y240-Y246 HydrophobicContact CE1-CG 4.18Å; Y240-Y246 AromaticContact CZ-CD2 3.79Å; Y240-Y246 WeakPolarHBondContact O-CB 3.41Å; I241-Y246 HydrophobicContact CB-CD1 3.72Å; I241-Y246 HydrophobicContact CB-CE1 3.67Å; I241-Y246 HydrophobicContact CB-CG 4.32Å; I241-Y246 HydrophobicContact CG2-CD1 3.98Å; I241-Y246 HydrophobicContact CG2-CD2 4.4Å; I241-Y246 HydrophobicContact CG2-CE1 3.63Å; I241-Y246 HydrophobicContact CG2-CE2 4.1Å; I241-Y246 HydrophobicContact CG2-CG 4.31Å; I241-Y246 WeakPolarHBondContact O-CD1 3.06Å; S243-Y246 PolarHBondContact O-N 3.45Å; S243-Y246 VanDerWaalsContact O-N 3.16Å; S243-Y246 WeakPolarHBondContact OG-CB 3.43Å; S243-Y246 PolarHBondContact OG-N 3.39Å; S243-Y246 VanDerWaalsContact OG-N 3.13Å; E244-Y246 VanDerWaalsContact C-N 3.3Å; E244-Y246 PolarHBondContact O-N 3.2Å; Y246-F248 VanDerWaalsContact C-N 3.26Å; Y246-F248 PolarHBondContact O-N 3.15Å; Y246-L249 HydrophobicContact CD2-CD2 4.41Å; Y246-L249 HydrophobicContact CE2-CD2 4.22Å; Y246-L249 CarbonylContact O-C 3.59Å; Y246-L249 WeakPolarHBondContact O-CA 3.1Å; Y246-L249 WeakPolarHBondContact O-CB 3.41Å; Y246-L249 PolarHBondContact O-N 3.32Å; Y246-Y250 HydrophobicContact CE1-CD2 4.39Å; Y246-Y250 WeakPolarHBondContact O-CB 3.35Å; Y246-Y250 PolarHBondContact O-N 3.16Å
247K97.2Very high94.8Very high72 Ų7272.7 Ų72.731%0.31337%0.368SS..Hα-helixtrans-55.8-42.5177.2-68.4176.2-170.7171.60111.7P201 S243 E244 Y250 Q251P201-K247 HydrophobicContact CB-CG 3.95Å; P201-K247 HydrophobicContact CG-CG 4.07Å; S243-K247 PolarHBondContact O-N 3.26Å; S243-K247 VanDerWaalsContact O-N 3.11Å; E244-K247 PolarHBondContact O-N 3.48Å; E244-K247 IonicContact OE1-NZ 2.72Å; E244-K247 PolarHBondContact OE1-NZ 2.89Å; K247-Y250 PolarHBondContact O-N 3.35Å; K247-Q251 WeakPolarHBondContact O-CG 3.35Å; K247-Q251 PolarHBondContact O-N 3.3Å
248F96.4Very high93.9Very high142 Ų14277.1 Ų77.162%0.62339%0.392SS*.Hα-helixtrans-64.5-44.4174.7-174.8-95.8000112.3E244 Y246 Y250 Q251 R252E244-F248 PolarHBondContact O-N 3.17Å; E244-F248 VanDerWaalsContact O-N 3.1Å; Y246-F248 VanDerWaalsContact C-N 3.26Å; Y246-F248 PolarHBondContact O-N 3.15Å; F248-Y250 PolarHBondContact O-N 3.39Å; F248-Q251 PolarHBondContact O-N 3.07Å; F248-R252 PolarHBondContact O-N 3.43Å
249L96.1Very high93Very high43 Ų4386.7 Ų86.723%0.22543%0.433CS..Hα-helixtrans-59.3-46.5175.7-177.8152000111.5V198 V223 P225 T245 Y246 R252 H253V198-L249 HydrophobicContact CG1-CD2 4.23Å; V223-L249 HydrophobicContact CG2-CD2 4.15Å; P225-L249 HydrophobicContact CB-CD1 4.48Å; P225-L249 HydrophobicContact CG-CD1 3.92Å; T245-L249 PolarHBondContact O-N 3.27Å; Y246-L249 HydrophobicContact CD2-CD2 4.41Å; Y246-L249 HydrophobicContact CE2-CD2 4.22Å; Y246-L249 CarbonylContact O-C 3.59Å; Y246-L249 WeakPolarHBondContact O-CA 3.1Å; Y246-L249 WeakPolarHBondContact O-CB 3.41Å; Y246-L249 PolarHBondContact O-N 3.32Å; L249-R252 PolarHBondContact O-N 2.64Å; L249-H253 WeakPolarHBondContact O-CB 3.39Å; L249-H253 PolarHBondContact O-N 2.66Å
250Y96.5Very high92.4Very high43 Ų4384.7 Ų84.717%0.16943%0.425CS..Hα-helixtrans-59.5-50.4179.6178.6-95.2000111.1V198 L199 P200 P201 Y246 K247 F248 R252 H253 I254V198-Y250 HydrophobicContact CB-CD2 3.95Å; V198-Y250 HydrophobicContact CB-CE2 4.31Å; V198-Y250 HydrophobicContact CG2-CD2 3.77Å; V198-Y250 HydrophobicContact CG2-CE2 3.74Å; L199-Y250 VanDerWaalsContact O-CD2 3.25Å; L199-Y250 WeakPolarHBondContact O-CD2 3.43Å; L199-Y250 WeakPolarHBondContact O-CE2 3.45Å; P200-Y250 HydrophobicContact CB-CE2 4.47Å; P201-Y250 HydrophobicContact CG-CD1 3.95Å; P201-Y250 HydrophobicContact CG-CG 3.95Å; Y246-Y250 HydrophobicContact CE1-CD2 4.39Å; Y246-Y250 WeakPolarHBondContact O-CB 3.35Å; Y246-Y250 PolarHBondContact O-N 3.16Å; K247-Y250 PolarHBondContact O-N 3.35Å; F248-Y250 PolarHBondContact O-N 3.39Å; Y250-R252 VanDerWaalsContact C-N 3.32Å; Y250-R252 PolarHBondContact O-N 3.19Å; Y250-H253 WeakPolarHBondContact O-CB 3.41Å; Y250-H253 PolarHBondContact O-N 3.25Å; Y250-H253 VanDerWaalsContact O-N 3.11Å; Y250-I254 HydrophobicContact CD1-CG1 4.27Å; Y250-I254 HydrophobicContact CE1-CG1 3.86Å; Y250-I254 HydrophobicContact CE2-CD1 4.22Å; Y250-I254 HydrophobicContact CE2-CG1 4.14Å; Y250-I254 WeakPolarHBondContact O-CG1 3.35Å; Y250-I254 PolarHBondContact O-N 3.04Å
251Q95.2Very high91.7Very high131 Ų13189.1 Ų89.161%0.61244%0.442SS*.Hα-helixtrans-58-43.3177.1-73.6175.7-2.100112.1K247 F248 H253 A255K247-Q251 WeakPolarHBondContact O-CG 3.35Å; K247-Q251 PolarHBondContact O-N 3.3Å; F248-Q251 PolarHBondContact O-N 3.07Å; Q251-H253 VanDerWaalsContact C-N 3.35Å; Q251-H253 PolarHBondContact O-N 3.01Å; Q251-A255 VanDerWaalsContact O-CB 3.29Å; Q251-A255 WeakPolarHBondContact O-CB 3.27Å; Q251-A255 PolarHBondContact O-N 3.31Å
252R94.8Very high91.1Very high186 Ų18694.7 Ų94.770%0.70248%0.478SS*.Hα-helixtrans-65.4-38.1176.9-161.8-178.397.1158.95.3112.3F248 L249 Y250 A256F248-R252 PolarHBondContact O-N 3.43Å; L249-R252 PolarHBondContact O-N 2.64Å; Y250-R252 VanDerWaalsContact C-N 3.32Å; Y250-R252 PolarHBondContact O-N 3.19Å; R252-A256 WeakPolarHBondContact O-CB 3.02Å; R252-A256 PolarHBondContact O-N 3.43Å; R252-A256 VanDerWaalsContact O-N 3.07Å
253H93Very high90.7Very high40 Ų4094.2 Ų94.219%0.18548%0.482CS..Hα-helixtrans-65.6-47.3179-174.391.2000111.6V198 L249 Y250 Q251 A256V198-H253 HydrophobicContact CG1-CB 4.16Å; L249-H253 WeakPolarHBondContact O-CB 3.39Å; L249-H253 PolarHBondContact O-N 2.66Å; Y250-H253 WeakPolarHBondContact O-CB 3.41Å; Y250-H253 PolarHBondContact O-N 3.25Å; Y250-H253 VanDerWaalsContact O-N 3.11Å; Q251-H253 VanDerWaalsContact C-N 3.35Å; Q251-H253 PolarHBondContact O-N 3.01Å; H253-A256 PolarHBondContact O-N 3.02Å
254I90.8Very high90.1Very high85 Ų8595.4 Ų95.444%0.43649%0.494SS..Hα-helixtrans-63.9-41177.1-61.5-60.9000110.9V198 Y250 A256 D257V198-I254 HydrophobicContact CG2-CD1 4.45Å; Y250-I254 HydrophobicContact CD1-CG1 4.27Å; Y250-I254 HydrophobicContact CE1-CG1 3.86Å; Y250-I254 HydrophobicContact CE2-CD1 4.22Å; Y250-I254 HydrophobicContact CE2-CG1 4.14Å; Y250-I254 WeakPolarHBondContact O-CG1 3.35Å; Y250-I254 PolarHBondContact O-N 3.04Å; I254-A256 VanDerWaalsContact C-N 3.3Å; I254-A256 PolarHBondContact O-N 2.89Å; I254-D257 PolarHBondContact O-N 3.01Å
255A92.5Very high89.5Confident88 Ų8895.1 Ų95.173%0.72750%0.496SS*.Hα-helixtrans-68.3-25.5178.500000114Q251 D257Q251-A255 VanDerWaalsContact O-CB 3.29Å; Q251-A255 WeakPolarHBondContact O-CB 3.27Å; Q251-A255 PolarHBondContact O-N 3.31Å; A255-D257 VanDerWaalsContact C-N 3.32Å
256A90.6Very high89Confident56 Ų5691.3 Ų91.346%0.46347%0.471SS..THydrogen-bonded Turntrans-78.2-14.5-18000000113.7R252 H253 I254 N258R252-A256 WeakPolarHBondContact O-CB 3.02Å; R252-A256 PolarHBondContact O-N 3.43Å; R252-A256 VanDerWaalsContact O-N 3.07Å; H253-A256 PolarHBondContact O-N 3.02Å; I254-A256 VanDerWaalsContact C-N 3.3Å; I254-A256 PolarHBondContact O-N 2.89Å; A256-N258 PolarHBondContact O-N 3.39Å
257D80.4Confident88.4Confident141 Ų14194.7 Ų94.775%0.75449%0.494SS*.THydrogen-bonded Turntrans46.744.9-178.1-163.731.4000113I254 A255 K259I254-D257 PolarHBondContact O-N 3.01Å; A255-D257 VanDerWaalsContact C-N 3.32Å; D257-K259 PolarHBondContact O-N 3.23Å
258N77.8Confident87.7Confident94 Ų9499 Ų9950%0.50351%0.513SS..PPolyproline II helixtrans-61127-179.7-70.2-52.1000109.5A256 P260A256-N258 PolarHBondContact O-N 3.39Å; N258-P260 WeakPolarHBondContact O-CD 3.42Å
259K78Confident87.2Confident201 Ų20192.9 Ų92.987%0.87449%0.487SS*.PPolyproline II helixtrans-63.7121.1178-68.3-175.9-179.7-179.20109.9D257D257-K259 PolarHBondContact O-N 3.23Å
260P81.7Confident86.7Confident51 Ų5194.1 Ų94.133%0.33149%0.493SS..PPolyproline II helixtrans-63.2161.8174.725.7-35.2000111.5V174 R195 N258V174-P260 HydrophobicContact CB-CG 4.45Å; V174-P260 HydrophobicContact CG1-CB 3.78Å; V174-P260 HydrophobicContact CG1-CG 3.76Å; V174-P260 HydrophobicContact CG2-CB 3.99Å; V174-P260 HydrophobicContact CG2-CG 3.78Å; R195-P260 VanDerWaalsContact NH2-CG 3.3Å; N258-P260 WeakPolarHBondContact O-CD 3.42Å
261R82.8Confident86.2Confident129 Ų12992.4 Ų92.449%0.48749%0.487SS..PPolyproline II helixtrans-48148.1168.4-87.7-171-63.9-158.5-4110.5R195 N220 D221R195-R261 PolarHBondContact NE-O 2.98Å; R195-R261 PolarHBondContact NH2-O 3.49Å; N220-R261 VanDerWaalsContact C-NH2 3.26Å; N220-R261 PolarHBondContact O-NH2 2.9Å; D221-R261 VanDerWaalsContact CB-CZ 3.48Å; D221-R261 WeakPolarHBondContact OD1-CB 3.44Å; D221-R261 VanDerWaalsContact OD1-CD 3.27Å; D221-R261 WeakPolarHBondContact OD1-CD 3.1Å; D221-R261 WeakPolarHBondContact OD1-CG 3.43Å; D221-R261 IonicContact OD1-CZ 3.79Å; D221-R261 IonicContact OD1-NE 2.62Å; D221-R261 PolarHBondContact OD1-NE 3.2Å; D221-R261 IonicContact OD1-NH2 3.59Å; D221-R261 IonicContact OD2-CZ 3.8Å; D221-R261 IonicContact OD2-NE 3.15Å; D221-R261 PolarHBondContact OD2-NE 3.29Å; D221-R261 IonicContact OD2-NH2 2.66Å; D221-R261 PolarHBondContact OD2-NH2 3.14Å
262P84.2Confident85.8Confident117 Ų11791.3 Ų91.376%0.7648%0.477SS*.PPolyproline II helixtrans-55150.2176.3-25.234.5000112.8
263I89.1Confident85.3Confident87 Ų8788 Ų8845%0.44647%0.468SS..PPolyproline II helixtrans-53.9137.2172.5-68.3170.8000109.5E151 D172E151-I263 WeakPolarHBondContact OE1-CD1 3.24Å; D172-I263 HydrophobicContact CB-CG1 4.47Å
264A83.2Confident84Confident60 Ų6093 Ų9350%0.49650%0.501SS..PPolyproline II helixtrans-65145.6179.500000111.4D172 K266D172-A264 PolarHBondContact OD1-N 3.13Å; A264-K266 PolarHBondContact O-N 3.16Å
265D85.9Confident82.4Confident128 Ų12895.3 Ų95.368%0.68451%0.51SS*.  trans-68.5109.3173.4177.619.3000110.6S267D265-S267 VanDerWaalsContact CG-OG 3.26Å; D265-S267 WeakPolarHBondContact OD1-CB 3.43Å; D265-S267 PolarHBondContact OD1-N 2.89Å; D265-S267 PolarHBondContact OD1-OG 3.09Å; D265-S267 PolarHBondContact OD2-OG 3.08Å
266K85.7Confident81.9Confident24 Ų2495.7 Ų95.710%0.10450%0.499CS..  trans-102.914.9178.3-68.5177.8-178.2175.70113.5N148 D149 D172 A264 K268 K269 R272N148-K266 PolarHBondContact O-NZ 2.9Å; D149-K266 WeakPolarHBondContact OD1-CD 3.16Å; D149-K266 IonicContact OD1-NZ 3.74Å; D149-K266 PolarHBondContact OD1-NZ 3.39Å; D172-K266 WeakPolarHBondContact OD2-CE 3.37Å; D172-K266 IonicContact OD2-NZ 2.91Å; D172-K266 PolarHBondContact OD2-NZ 3.12Å; A264-K266 PolarHBondContact O-N 3.16Å; K266-K268 PolarHBondContact O-N 3.45Å; K266-K268 VanDerWaalsContact O-N 3.17Å; K266-K269 WeakPolarHBondContact O-CB 3.49Å; K266-K269 PolarHBondContact O-N 2.96Å; K266-K269 VanDerWaalsContact O-N 3.11Å; K266-R272 VanDerWaalsContact CB-NH1 3.26Å; K266-R272 WeakPolarHBondContact O-CD 3.44Å; K266-R272 PolarHBondContact O-NH1 3.1Å
267S83.8Confident81.4Confident70 Ų7097.7 Ų97.749%0.4950%0.501SS..THydrogen-bonded Turntrans-55.7-30.9176.963.30000113.3D265D265-S267 VanDerWaalsContact CG-OG 3.26Å; D265-S267 WeakPolarHBondContact OD1-CB 3.43Å; D265-S267 PolarHBondContact OD1-N 2.89Å; D265-S267 PolarHBondContact OD1-OG 3.09Å; D265-S267 PolarHBondContact OD2-OG 3.08Å
268K82.9Confident81.5Confident164 Ų16495.3 Ų95.371%0.71349%0.487SS*.THydrogen-bonded Turntrans-88.71.4-178.8-64.7-179.7-176.8172.60114.6K266 K273K266-K268 PolarHBondContact O-N 3.45Å; K266-K268 VanDerWaalsContact O-N 3.17Å; K268-K273 VanDerWaalsContact O-CE 3.24Å; K268-K273 WeakPolarHBondContact O-CE 3.43Å
269K86.4Confident81.7Confident13 Ų1395.4 Ų95.46%0.05749%0.486CS..  trans-59.3138.8-178.5-170.1176.6174.5148.10111.5N123 D147 N148 D149 K266 S271 R272 K273N123-K269 WeakPolarHBondContact O-CE 3.25Å; N123-K269 PolarHBondContact O-NZ 3.49Å; D147-K269 VanDerWaalsContact O-CE 3.26Å; D147-K269 WeakPolarHBondContact O-CE 3.38Å; D147-K269 PolarHBondContact O-NZ 3.14Å; D147-K269 WeakPolarHBondContact OD1-CD 3.23Å; D147-K269 WeakPolarHBondContact OD1-CE 3.42Å; D147-K269 IonicContact OD1-NZ 2.7Å; D147-K269 PolarHBondContact OD1-NZ 3.49Å; N148-K269 VanDerWaalsContact CA-NZ 3.28Å; D149-K269 IonicContact OD1-NZ 2.64Å; K266-K269 WeakPolarHBondContact O-CB 3.49Å; K266-K269 PolarHBondContact O-N 2.96Å; K266-K269 VanDerWaalsContact O-N 3.11Å; K269-S271 VanDerWaalsContact C-N 3.28Å; K269-S271 VanDerWaalsContact CD-OG 3.29Å; K269-S271 WeakPolarHBondContact CD-OG 3.44Å; K269-S271 WeakPolarHBondContact CE-OG 3.45Å; K269-S271 WeakPolarHBondContact CG-OG 3.39Å; K269-S271 PolarHBondContact O-N 3.41Å; K269-R272 HydrophobicContact CB-CG 4.29Å; K269-R272 PolarHBondContact O-N 3.12Å; K269-K273 PolarHBondContact O-N 3.35Å
270I84.7Confident81.9Confident69 Ų6988.8 Ų88.835%0.35446%0.462SS..G310 helixtrans-59.4-39.9-174-62.7171.5000111.5M99 R272 K273M99-I270 HydrophobicContact CE-CD1 3.85Å; M99-I270 HydrophobicContact CE-CG2 3.88Å; I270-R272 PolarHBondContact O-N 2.81Å; I270-K273 PolarHBondContact O-N 3.08Å
271S86.9Confident81.9Confident7 Ų791.3 Ų91.35%0.04947%0.47CS..G310 helixtrans-63-20177.458.30000114.3N100 K101 N124 K269N100-S271 WeakPolarHBondContact O-CB 3.36Å; K101-S271 WeakPolarHBondContact CG-O 3.29Å; N124-S271 WeakPolarHBondContact OD1-CB 3.48Å; N124-S271 PolarHBondContact OD1-OG 3.14Å; K269-S271 VanDerWaalsContact C-N 3.28Å; K269-S271 VanDerWaalsContact CD-OG 3.29Å; K269-S271 WeakPolarHBondContact CD-OG 3.44Å; K269-S271 WeakPolarHBondContact CE-OG 3.45Å; K269-S271 WeakPolarHBondContact CG-OG 3.39Å; K269-S271 PolarHBondContact O-N 3.41Å
272R87.8Confident81.8Confident108 Ų10888.6 Ų88.641%0.40847%0.469SS..G310 helixtrans-98.1-12.2-179.8-60.3-176-173.6173.8-0.9113.1N124 D149 K266 K269 I270N124-R272 VanDerWaalsContact OD1-CG 3.27Å; N124-R272 WeakPolarHBondContact OD1-CG 3.48Å; D149-R272 IonicContact OD1-NH2 2.78Å; D149-R272 PolarHBondContact OD1-NH2 3.29Å; D149-R272 IonicContact OD2-CZ 2.72Å; D149-R272 IonicContact OD2-NH2 3.21Å; D149-R272 PolarHBondContact OD2-NH2 3.45Å; K266-R272 VanDerWaalsContact CB-NH1 3.26Å; K266-R272 WeakPolarHBondContact O-CD 3.44Å; K266-R272 PolarHBondContact O-NH1 3.1Å; K269-R272 HydrophobicContact CB-CG 4.29Å; K269-R272 PolarHBondContact O-N 3.12Å; I270-R272 PolarHBondContact O-N 2.81Å
273K82.3Confident81.7Confident115 Ų11586.5 Ų86.550%0.545%0.447SS..SBendtrans-70.7139.1175.3-66.3-176.9-177.7178.50110.2K101 K268 K269 I270 Q275K101-K273 PolarHBondContact NZ-O 3.38Å; K268-K273 VanDerWaalsContact O-CE 3.24Å; K268-K273 WeakPolarHBondContact O-CE 3.43Å; K269-K273 PolarHBondContact O-N 3.35Å; I270-K273 PolarHBondContact O-N 3.08Å; K273-Q275 PolarHBondContact O-N 3.4Å
274V66.4Low81Confident147 Ų14786.4 Ų86.489%0.89145%0.447SS*.  trans-69.1121.9165-172.10000106.3
275Q56.7Low80.9Confident132 Ų13288.8 Ų88.862%0.61744%0.442SS*.  trans-107.40176.7-75.5-171.18.100108.7K273K273-Q275 PolarHBondContact O-N 3.4Å

Retrieved 275 of 275 residues in 91 ms (Link to these results)

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