A0A087X799_POEFO Loading...

Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase

AlphaFold DB , UniProt , Accession A0A087X799, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 329 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M83.5Confident96.7Very high216 Ų21635.9 Ų35.9100%1.06420%0.203SC*.  0143.80-74.2-171.1-104.600107.3
2A95.1Very high96.8Very high17 Ų1744.5 Ų44.514%0.1424%0.236CC..  trans-62.8145.4178.300000110.8R4 E27 D28 Q30A2-R4 PolarHBondContact O-N 3.3Å; A2-E27 VanDerWaalsContact CA-O 3.32Å; A2-E27 WeakPolarHBondContact CA-O 3.31Å; A2-E27 VanDerWaalsContact CB-O 3.3Å; A2-E27 WeakPolarHBondContact CB-O 3.27Å; A2-E27 PolarHBondContact N-O 2.98Å; A2-D28 CarbonylContact C-O 3.56Å; A2-D28 WeakPolarHBondContact CA-O 3.36Å; A2-Q30 HydrophobicContact CB-CG 3.84Å
3T98.4Very high96.9Very high9 Ų943.9 Ų43.96%0.05523%0.233CC..EExtended strand (participates in β ladder)trans-73.6118.1168.3-60.70000108.8W5 D28 Q30 V69 R288 L291T3-W5 HydrophobicContact CG2-CZ2 4.27Å; T3-D28 PolarHBondContact N-O 2.55Å; T3-Q30 PolarHBondContact O-N 2.98Å; T3-V69 HydrophobicContact CG2-CG1 3.46Å; T3-V69 VanDerWaalsContact CG2-CG1 3.46Å; T3-R288 WeakPolarHBondContact OG1-CG 3.3Å; T3-L291 HydrophobicContact CG2-CD1 4.03Å
4R98.8Very high97.1Very high72 Ų7240.8 Ų40.827%0.27222%0.216SC..EExtended strand (participates in β ladder)trans-92.8113.4-178.5-58.1171.5-66.2165.710.4111A2 Q30 V32 D66 D68 V69A2-R4 PolarHBondContact O-N 3.3Å; R4-Q30 CarbonylContact C-O 3.58Å; R4-Q30 WeakPolarHBondContact CA-O 3.27Å; R4-V32 HydrophobicContact CB-CG1 3.86Å; R4-V32 HydrophobicContact CB-CG2 4.04Å; R4-V32 HydrophobicContact CG-CG1 4.04Å; R4-D66 WeakPolarHBondContact CB-O 3.43Å; R4-D66 WeakPolarHBondContact CD-O 3.48Å; R4-D66 VanDerWaalsContact CZ-O 3.27Å; R4-D66 PolarHBondContact NE-O 3.08Å; R4-D66 VanDerWaalsContact NE-O 3.14Å; R4-D66 IonicContact NH1-OD1 3.63Å; R4-D66 PolarHBondContact NH1-OD1 3.43Å; R4-D68 HydrophobicContact CB-CB 4.47Å; R4-D68 VanDerWaalsContact CB-OD2 3.22Å; R4-D68 WeakPolarHBondContact CB-OD2 3.14Å; R4-D68 WeakPolarHBondContact CG-OD2 3.47Å; R4-D68 IonicContact CZ-OD1 2.68Å; R4-D68 IonicContact CZ-OD2 3.57Å; R4-D68 PolarHBondContact N-OD2 2.91Å; R4-D68 IonicContact NE-OD1 2.71Å; R4-D68 PolarHBondContact NE-OD1 2.83Å; R4-D68 IonicContact NE-OD2 3.27Å; R4-D68 PolarHBondContact NE-OD2 3.42Å; R4-D68 IonicContact NH2-OD1 3.66Å; R4-D68 PolarHBondContact NH2-OD1 3.37Å; R4-D68 IonicContact NH2-OD2 3.74Å; R4-D68 PolarHBondContact O-N 3.37Å; R4-V69 PolarHBondContact O-N 2.98Å
5W98.9Very high97.2Very high0 Ų038.5 Ų38.50%020%0.204CC..EExtended strand (participates in β ladder)trans-93.1131-175.3-66.883.1000111.7T3 F17 L21 H29 Q30 V31 V32 V69 L94 A284 V287T3-W5 HydrophobicContact CG2-CZ2 4.27Å; W5-F17 HydrophobicContact CD2-CE1 4.3Å; W5-F17 AromaticContact CE3-CE1 3.74Å; W5-F17 HydrophobicContact CE3-CE1 3.74Å; W5-F17 AromaticContact CE3-CZ 3.95Å; W5-F17 HydrophobicContact CE3-CZ 3.95Å; W5-F17 HydrophobicContact CH2-CE1 4.48Å; W5-F17 AromaticContact CH2-CZ 3.86Å; W5-F17 HydrophobicContact CH2-CZ 3.86Å; W5-F17 HydrophobicContact CZ2-CZ 4.45Å; W5-F17 AromaticContact CZ3-CE1 3.85Å; W5-F17 HydrophobicContact CZ3-CE1 3.85Å; W5-F17 AromaticContact CZ3-CZ 3.59Å; W5-F17 HydrophobicContact CZ3-CZ 3.59Å; W5-L21 HydrophobicContact CB-CD1 4.17Å; W5-L21 HydrophobicContact CD2-CD1 4.11Å; W5-L21 HydrophobicContact CD2-CD2 4.48Å; W5-L21 HydrophobicContact CG-CD1 3.85Å; W5-L21 HydrophobicContact CZ2-CD2 4.47Å; W5-H29 AromaticContact CE2-ND1 3.89Å; W5-H29 AromaticContact NE1-ND1 3.14Å; W5-H29 PolarHBondContact NE1-ND1 2.94Å; W5-H29 VanDerWaalsContact NE1-ND1 3.14Å; W5-Q30 PolarHBondContact N-O 2.85Å; W5-V31 HydrophobicContact CB-CG2 4.34Å; W5-V32 PolarHBondContact O-N 3.3Å; W5-V69 CarbonylContact C-O 3.42Å; W5-V69 WeakPolarHBondContact CA-O 3.28Å; W5-V69 HydrophobicContact CD2-CG1 3.55Å; W5-V69 HydrophobicContact CE3-CG1 3.58Å; W5-V69 HydrophobicContact CE3-CG2 4.29Å; W5-V69 HydrophobicContact CG-CG1 4.1Å; W5-V69 HydrophobicContact CH2-CG1 4.11Å; W5-V69 HydrophobicContact CH2-CG2 4.36Å; W5-V69 HydrophobicContact CZ2-CG1 4.07Å; W5-V69 HydrophobicContact CZ3-CG1 3.86Å; W5-V69 HydrophobicContact CZ3-CG2 3.93Å; W5-L94 HydrophobicContact CH2-CD2 4.03Å; W5-L94 HydrophobicContact CZ3-CB 4.15Å; W5-L94 HydrophobicContact CZ3-CD2 4.01Å; W5-A284 HydrophobicContact CH2-CB 4.35Å; W5-A284 HydrophobicContact CZ2-CB 4.05Å; W5-V287 HydrophobicContact CH2-CB 3.78Å; W5-V287 HydrophobicContact CH2-CG1 3.63Å; W5-V287 HydrophobicContact CH2-CG2 4.08Å; W5-V287 HydrophobicContact CZ2-CB 4.13Å; W5-V287 HydrophobicContact CZ2-CG1 3.99Å
6G98.9Very high97.3Very high0 Ų036.1 Ų36.10%019%0.191CC..EExtended strand (participates in β ladder)trans-99136161.300000110.3A33 V69 V70 Y71G6-A33 CarbonylContact C-O 3.33Å; G6-A33 WeakPolarHBondContact CA-O 3.47Å; G6-V69 PolarHBondContact N-O 3.17Å; G6-V70 CarbonylContact O-C 3.03Å; G6-V70 VanDerWaalsContact O-CA 3.3Å; G6-V70 WeakPolarHBondContact O-CA 3.34Å; G6-Y71 PolarHBondContact O-N 3.38Å
7I98.9Very high97.4Very high0 Ų034 Ų340%018%0.18CC..EExtended strand (participates in β ladder)trans-104.4113.8178.8-53.3-57.1000109.3S9 F17 V31 A33 V34 A35 F45 Y71I7-S9 WeakPolarHBondContact CG2-O 3.06Å; I7-F17 HydrophobicContact CD1-CD1 4.09Å; I7-F17 HydrophobicContact CD1-CE1 4.39Å; I7-V31 HydrophobicContact CD1-CG1 4.18Å; I7-V31 HydrophobicContact CG1-CG1 3.61Å; I7-A33 PolarHBondContact N-O 3.07Å; I7-V34 HydrophobicContact CB-CB 4.17Å; I7-V34 HydrophobicContact CB-CG2 4.02Å; I7-V34 HydrophobicContact CG2-CG2 4.2Å; I7-V34 CarbonylContact O-C 3.45Å; I7-V34 WeakPolarHBondContact O-CA 3.22Å; I7-A35 PolarHBondContact O-N 3.44Å; I7-F45 HydrophobicContact CG2-CE1 4.4Å; I7-F45 HydrophobicContact CG2-CZ 4.44Å; I7-Y71 HydrophobicContact CD1-CD1 4.45Å; I7-Y71 HydrophobicContact CG2-CD1 4.44Å
8C98.8Very high97.5Very high0 Ų032.2 Ų32.20%017%0.17CC..EExtended strand (participates in β ladder)trans-92.9118.8172.5173.40000109.2Y58 L61 V70 Y71 V72 G73 F86C8-Y58 VanDerWaalsContact SG-CD1 3.58Å; C8-Y58 VanDerWaalsContact SG-CE1 3.57Å; C8-L61 HydrophobicContact CB-CD2 4.32Å; C8-V70 HydrophobicContact CB-CG1 3.78Å; C8-Y71 WeakPolarHBondContact CB-O 3.28Å; C8-Y71 PolarHBondContact N-O 3.13Å; C8-V72 HydrophobicContact CB-CG2 4.44Å; C8-G73 PolarHBondContact O-N 3.31Å; C8-F86 HydrophobicContact CB-CE2 3.67Å; C8-F86 HydrophobicContact CB-CZ 3.79Å
9S98Very high97.5Very high20 Ų2030.5 Ų30.514%0.1416%0.161CC..  trans88136.1-170.5-168.70000114I7 G11 S14 A35 G73I7-S9 WeakPolarHBondContact CG2-O 3.06Å; S9-G11 VanDerWaalsContact C-N 3.31Å; S9-G11 PolarHBondContact OG-N 3Å; S9-S14 WeakPolarHBondContact O-CB 3.26Å; S9-S14 PolarHBondContact O-OG 3.39Å; S9-A35 WeakPolarHBondContact CA-O 3.46Å; S9-A35 PolarHBondContact N-O 3.32Å; S9-G73 WeakPolarHBondContact CB-O 3.31Å; S9-G73 PolarHBondContact OG-O 2.98Å
10A97.3Very high97.6Very high34 Ų3429 Ų2928%0.28115%0.153SC..  trans-95.629.6171.300000112.4A36 F45A10-A36 HydrophobicContact CB-CB 4.03Å; A10-F45 HydrophobicContact CB-CB 3.81Å; A10-F45 HydrophobicContact CB-CD2 3.72Å; A10-F45 HydrophobicContact CB-CG 3.96Å
11G97.3Very high97.6Very high27 Ų2728 Ų2828%0.27815%0.148SC..SBendtrans-79.8178.2-177.200000114.6S9 I13 S14 H15S9-G11 VanDerWaalsContact C-N 3.31Å; S9-G11 PolarHBondContact OG-N 3Å; G11-I13 PolarHBondContact O-N 3.03Å; G11-S14 PolarHBondContact O-N 3.19Å; G11-H15 PolarHBondContact O-N 3.04Å
12K98Very high98.3Very high139 Ų13921.6 Ų21.660%0.60411%0.114SC*.Hα-helixtrans-59.2-41.2180-67.5-176.1179.6-178.60113.3H15 D16 N273 F274K12-H15 WeakPolarHBondContact O-CB 3.25Å; K12-H15 PolarHBondContact O-N 3.24Å; K12-D16 PolarHBondContact O-N 2.77Å; K12-D16 VanDerWaalsContact O-N 3.1Å; K12-N273 HydrophobicContact CB-CB 3.98Å; K12-N273 HydrophobicContact CD-CB 4.37Å; K12-N273 HydrophobicContact CG-CB 4.43Å; K12-N273 PolarHBondContact O-ND2 2.78Å; K12-F274 HydrophobicContact CB-CE2 3.99Å; K12-F274 HydrophobicContact CB-CZ 4.23Å
13I98.3Very high98.5Very high37 Ų3722.2 Ų22.219%0.1912%0.117CC..Hα-helixtrans-73.2-37-179.1-16068.5000111.7G11 H15 D16 F17 Y71 E96 F274 K280G11-I13 PolarHBondContact O-N 3.03Å; I13-H15 VanDerWaalsContact C-N 3.33Å; I13-H15 PolarHBondContact O-N 2.62Å; I13-D16 PolarHBondContact O-N 3.34Å; I13-F17 WeakPolarHBondContact O-CB 3.34Å; I13-F17 PolarHBondContact O-N 2.8Å; I13-Y71 VanDerWaalsContact CG1-OH 3.27Å; I13-Y71 WeakPolarHBondContact CG1-OH 3.46Å; I13-E96 HydrophobicContact CG1-CG 4.23Å; I13-E96 WeakPolarHBondContact CG1-OE1 3.49Å; I13-E96 HydrophobicContact CG2-CG 4.18Å; I13-F274 HydrophobicContact CB-CE2 4.17Å; I13-F274 HydrophobicContact CD1-CD2 3.62Å; I13-F274 HydrophobicContact CD1-CE2 3.69Å; I13-K280 HydrophobicContact CD1-CD 4.5Å; I13-K280 VanDerWaalsContact CD1-CE 3.45Å
14S98.8Very high98.4Very high0 Ų022.6 Ų22.60%012%0.118CC..Hα-helixtrans-62.2-39170.8-58.90000112.7S9 G11 T18S9-S14 WeakPolarHBondContact O-CB 3.26Å; S9-S14 PolarHBondContact O-OG 3.39Å; G11-S14 PolarHBondContact O-N 3.19Å; S14-T18 WeakPolarHBondContact O-CB 3.36Å; S14-T18 PolarHBondContact O-N 3.06Å; S14-T18 PolarHBondContact O-OG1 3.01Å
15H98.8Very high98.4Very high7 Ų721.6 Ų21.63%0.03212%0.121CC..Hα-helixtrans-56.4-55.6171.8175.276.1000110.2G11 K12 I13 F17 T18 V19 F45 K48 H49 P271 N273G11-H15 PolarHBondContact O-N 3.04Å; K12-H15 WeakPolarHBondContact O-CB 3.25Å; K12-H15 PolarHBondContact O-N 3.24Å; I13-H15 VanDerWaalsContact C-N 3.33Å; I13-H15 PolarHBondContact O-N 2.62Å; H15-F17 PolarHBondContact O-N 2.75Å; H15-T18 WeakPolarHBondContact O-CB 3.23Å; H15-T18 PolarHBondContact O-N 3.33Å; H15-T18 VanDerWaalsContact O-N 3.16Å; H15-V19 WeakPolarHBondContact O-CG2 3.47Å; H15-V19 PolarHBondContact O-N 3.35Å; H15-F45 HydrophobicContact CB-CE2 3.98Å; H15-F45 HydrophobicContact CB-CZ 4.49Å; H15-K48 WeakPolarHBondContact CE1-CE 3.12Å; H15-K48 PolarHBondContact CE1-NZ 2.83Å; H15-K48 PolarHBondContact ND1-NZ 3.07Å; H15-H49 AromaticContact CE1-CE1 3.36Å; H15-H49 PolarHBondContact CE1-CE1 2.92Å; H15-H49 AromaticContact CE1-NE2 3.43Å; H15-H49 PolarHBondContact CE1-NE2 3.36Å; H15-H49 AromaticContact CG-CE1 3.92Å; H15-H49 AromaticContact CG-NE2 3.72Å; H15-H49 AromaticContact ND1-CE1 3.07Å; H15-H49 PolarHBondContact ND1-CE1 2.91Å; H15-H49 AromaticContact ND1-NE2 2.75Å; H15-H49 PolarHBondContact ND1-NE2 3.16Å; H15-P271 PolarHBondContact NE2-O 2.9Å; H15-P271 VanDerWaalsContact NE2-O 3.09Å; H15-N273 PolarHBondContact CD2-ND2 3.4Å; H15-N273 VanDerWaalsContact CD2-ND2 3.25Å
16D98.9Very high98.3Very high0 Ų024.6 Ų24.60%015%0.146CC..Hα-helixtrans-59.3-44.3-178.9-81.629000112.5K12 I13 T18 V19 A20 N273 F274 S277K12-D16 PolarHBondContact O-N 2.77Å; K12-D16 VanDerWaalsContact O-N 3.1Å; I13-D16 PolarHBondContact O-N 3.34Å; D16-T18 PolarHBondContact O-N 3.48Å; D16-V19 PolarHBondContact O-N 3.11Å; D16-A20 PolarHBondContact O-N 2.97Å; D16-N273 WeakPolarHBondContact OD1-CB 3.16Å; D16-N273 PolarHBondContact OD1-N 2.91Å; D16-N273 PolarHBondContact OD1-ND2 2.96Å; D16-N273 PolarHBondContact OD2-N 2.86Å; D16-N273 VanDerWaalsContact OD2-N 3.13Å; D16-F274 WeakPolarHBondContact OD2-CD2 3.28Å; D16-F274 PolarHBondContact OD2-N 3.32Å; D16-S277 WeakPolarHBondContact OD2-CB 3.32Å; D16-S277 PolarHBondContact OD2-OG 2.73Å
17F98.9Very high98.2Very high0 Ų031 Ų310%018%0.176CC..Hα-helixtrans-61.5-42.8175.2-174.3-101.8000111.8W5 I7 I13 H15 V19 A20 L21 Y71 L94 K280 E283 A284W5-F17 HydrophobicContact CD2-CE1 4.3Å; W5-F17 AromaticContact CE3-CE1 3.74Å; W5-F17 HydrophobicContact CE3-CE1 3.74Å; W5-F17 AromaticContact CE3-CZ 3.95Å; W5-F17 HydrophobicContact CE3-CZ 3.95Å; W5-F17 HydrophobicContact CH2-CE1 4.48Å; W5-F17 AromaticContact CH2-CZ 3.86Å; W5-F17 HydrophobicContact CH2-CZ 3.86Å; W5-F17 HydrophobicContact CZ2-CZ 4.45Å; W5-F17 AromaticContact CZ3-CE1 3.85Å; W5-F17 HydrophobicContact CZ3-CE1 3.85Å; W5-F17 AromaticContact CZ3-CZ 3.59Å; W5-F17 HydrophobicContact CZ3-CZ 3.59Å; I7-F17 HydrophobicContact CD1-CD1 4.09Å; I7-F17 HydrophobicContact CD1-CE1 4.39Å; I13-F17 WeakPolarHBondContact O-CB 3.34Å; I13-F17 PolarHBondContact O-N 2.8Å; H15-F17 PolarHBondContact O-N 2.75Å; F17-V19 VanDerWaalsContact C-N 3.33Å; F17-V19 PolarHBondContact O-N 2.9Å; F17-A20 WeakPolarHBondContact O-CB 3.49Å; F17-A20 PolarHBondContact O-N 2.86Å; F17-L21 HydrophobicContact CD1-CD1 3.93Å; F17-L21 HydrophobicContact CD1-CG 4.26Å; F17-L21 HydrophobicContact CE1-CD1 3.53Å; F17-L21 HydrophobicContact CE1-CD2 4.34Å; F17-L21 HydrophobicContact CE1-CG 3.92Å; F17-L21 HydrophobicContact CZ-CD1 4.24Å; F17-L21 HydrophobicContact CZ-CD2 4.25Å; F17-L21 HydrophobicContact CZ-CG 4.23Å; F17-L21 PolarHBondContact O-N 3.27Å; F17-Y71 HydrophobicContact CB-CD1 4.29Å; F17-Y71 HydrophobicContact CB-CD2 4.47Å; F17-Y71 HydrophobicContact CB-CE1 3.86Å; F17-Y71 HydrophobicContact CB-CE2 4.07Å; F17-Y71 AromaticContact CD1-CD1 3.8Å; F17-Y71 HydrophobicContact CD1-CD1 3.8Å; F17-Y71 AromaticContact CD1-CD2 3.65Å; F17-Y71 HydrophobicContact CD1-CD2 3.65Å; F17-Y71 HydrophobicContact CD1-CE1 4.23Å; F17-Y71 HydrophobicContact CD1-CE2 4.1Å; F17-Y71 AromaticContact CD1-CG 3.46Å; F17-Y71 HydrophobicContact CD1-CG 3.46Å; F17-Y71 VanDerWaalsContact CD1-CG 3.46Å; F17-Y71 AromaticContact CD2-CD2 3.81Å; F17-Y71 HydrophobicContact CD2-CD2 3.81Å; F17-Y71 AromaticContact CD2-CE2 3.67Å; F17-Y71 HydrophobicContact CD2-CE2 3.67Å; F17-Y71 HydrophobicContact CD2-CG 4.45Å; F17-Y71 HydrophobicContact CE1-CD1 4.41Å; F17-Y71 AromaticContact CE1-CD2 3.71Å; F17-Y71 HydrophobicContact CE1-CD2 3.71Å; F17-Y71 HydrophobicContact CE1-CE2 4.5Å; F17-Y71 AromaticContact CE1-CG 3.64Å; F17-Y71 HydrophobicContact CE1-CG 3.64Å; F17-Y71 AromaticContact CE2-CD2 3.91Å; F17-Y71 HydrophobicContact CE2-CD2 3.91Å; F17-Y71 HydrophobicContact CE2-CE2 4.14Å; F17-Y71 HydrophobicContact CG-CD1 4.12Å; F17-Y71 AromaticContact CG-CD2 3.71Å; F17-Y71 HydrophobicContact CG-CD2 3.71Å; F17-Y71 HydrophobicContact CG-CE1 4.09Å; F17-Y71 AromaticContact CG-CE2 3.68Å; F17-Y71 HydrophobicContact CG-CE2 3.68Å; F17-Y71 AromaticContact CG-CG 3.91Å; F17-Y71 HydrophobicContact CG-CG 3.91Å; F17-Y71 AromaticContact CG-CZ 3.85Å; F17-Y71 AromaticContact CZ-CD2 3.87Å; F17-Y71 HydrophobicContact CZ-CD2 3.87Å; F17-Y71 HydrophobicContact CZ-CG 4.26Å; F17-L94 HydrophobicContact CE2-CD2 3.78Å; F17-L94 HydrophobicContact CZ-CD2 3.79Å; F17-K280 HydrophobicContact CB-CD 4.22Å; F17-K280 HydrophobicContact CD2-CB 3.95Å; F17-K280 HydrophobicContact CD2-CD 4.16Å; F17-E283 HydrophobicContact CE2-CG 4.46Å; F17-A284 HydrophobicContact CE2-CB 4.12Å; F17-A284 HydrophobicContact CZ-CB 4.01Å
18T98.8Very high98.2Very high1 Ų132.9 Ų32.91%0.00619%0.186CC..Hα-helixtrans-65.3-36.6177-54.70000111.7S14 H15 D16 K22 V31 F45 H49 I51S14-T18 WeakPolarHBondContact O-CB 3.36Å; S14-T18 PolarHBondContact O-N 3.06Å; S14-T18 PolarHBondContact O-OG1 3.01Å; H15-T18 WeakPolarHBondContact O-CB 3.23Å; H15-T18 PolarHBondContact O-N 3.33Å; H15-T18 VanDerWaalsContact O-N 3.16Å; D16-T18 PolarHBondContact O-N 3.48Å; T18-K22 WeakPolarHBondContact O-CG 3.19Å; T18-K22 PolarHBondContact O-N 3.46Å; T18-V31 HydrophobicContact CG2-CG1 4.45Å; T18-V31 HydrophobicContact CG2-CG2 4.27Å; T18-F45 HydrophobicContact CG2-CE1 4.41Å; T18-H49 HydrophobicContact CG2-CB 3.79Å; T18-H49 WeakPolarHBondContact CG2-ND1 3.18Å; T18-I51 HydrophobicContact CG2-CD1 4.32Å
19V98.8Very high98.1Very high0 Ų033.3 Ų33.30%019%0.188CC..Hα-helixtrans-65.7-42.5172.1177.10000111H15 D16 F17 L21 K22 P268 L270 L272H15-V19 WeakPolarHBondContact O-CG2 3.47Å; H15-V19 PolarHBondContact O-N 3.35Å; D16-V19 PolarHBondContact O-N 3.11Å; F17-V19 VanDerWaalsContact C-N 3.33Å; F17-V19 PolarHBondContact O-N 2.9Å; V19-L21 PolarHBondContact O-N 2.86Å; V19-K22 WeakPolarHBondContact O-CB 3.32Å; V19-K22 PolarHBondContact O-N 2.88Å; V19-P268 HydrophobicContact CG1-CB 3.75Å; V19-L270 HydrophobicContact CG1-CB 4.5Å; V19-L270 HydrophobicContact CG2-CB 3.81Å; V19-L270 HydrophobicContact CG2-CD1 4.2Å; V19-L270 HydrophobicContact CG2-CG 4.47Å; V19-L272 HydrophobicContact CB-CD2 4.02Å; V19-L272 HydrophobicContact CG1-CD2 3.8Å
20A98.8Very high98.2Very high0 Ų036.7 Ų36.70%020%0.201CC..Hα-helixtrans-61.9-42.417800000112.2D16 F17 K22 T23 K280D16-A20 PolarHBondContact O-N 2.97Å; F17-A20 WeakPolarHBondContact O-CB 3.49Å; F17-A20 PolarHBondContact O-N 2.86Å; A20-K22 PolarHBondContact O-N 3.33Å; A20-T23 WeakPolarHBondContact O-CB 3.43Å; A20-T23 PolarHBondContact O-N 3.2Å; A20-T23 PolarHBondContact O-OG1 3.05Å; A20-K280 HydrophobicContact CB-CB 3.8Å
21L98.6Very high98.2Very high8 Ų836.6 Ų36.64%0.04220%0.197CC..Hα-helixtrans-58.1-34.5175-76.3179000112.8W5 F17 V19 T23 L24 H29 V31 A284W5-L21 HydrophobicContact CB-CD1 4.17Å; W5-L21 HydrophobicContact CD2-CD1 4.11Å; W5-L21 HydrophobicContact CD2-CD2 4.48Å; W5-L21 HydrophobicContact CG-CD1 3.85Å; W5-L21 HydrophobicContact CZ2-CD2 4.47Å; F17-L21 HydrophobicContact CD1-CD1 3.93Å; F17-L21 HydrophobicContact CD1-CG 4.26Å; F17-L21 HydrophobicContact CE1-CD1 3.53Å; F17-L21 HydrophobicContact CE1-CD2 4.34Å; F17-L21 HydrophobicContact CE1-CG 3.92Å; F17-L21 HydrophobicContact CZ-CD1 4.24Å; F17-L21 HydrophobicContact CZ-CD2 4.25Å; F17-L21 HydrophobicContact CZ-CG 4.23Å; F17-L21 PolarHBondContact O-N 3.27Å; V19-L21 PolarHBondContact O-N 2.86Å; L21-T23 PolarHBondContact O-N 3.22Å; L21-T23 VanDerWaalsContact O-N 3.16Å; L21-L24 HydrophobicContact CD2-CD1 4.08Å; L21-L24 WeakPolarHBondContact O-CB 3.34Å; L21-L24 PolarHBondContact O-N 2.87Å; L21-H29 HydrophobicContact CD2-CB 4.36Å; L21-V31 HydrophobicContact CB-CG2 4.27Å; L21-V31 HydrophobicContact CD1-CG2 3.42Å; L21-V31 VanDerWaalsContact CD1-CG2 3.42Å; L21-A284 HydrophobicContact CD2-CB 3.51Å
22K97.8Very high98.3Very high82 Ų8236 Ų3636%0.35719%0.188SC..THydrogen-bonded Turntrans-66.8-12.6177-69.9178.3175.8-167.70114T18 V19 A20 L24 H49T18-K22 WeakPolarHBondContact O-CG 3.19Å; T18-K22 PolarHBondContact O-N 3.46Å; V19-K22 WeakPolarHBondContact O-CB 3.32Å; V19-K22 PolarHBondContact O-N 2.88Å; A20-K22 PolarHBondContact O-N 3.33Å; K22-L24 VanDerWaalsContact C-N 3.33Å; K22-H49 VanDerWaalsContact CE-O 3.26Å; K22-H49 WeakPolarHBondContact CE-O 3.21Å; K22-H49 PolarHBondContact NZ-O 3.29Å
23T98.3Very high98.3Very high31 Ų3129.4 Ų29.419%0.1916%0.159CC..THydrogen-bonded Turntrans-86.3-7.9174.675.50000112.6A20 L21 P266 T278 R281A20-T23 WeakPolarHBondContact O-CB 3.43Å; A20-T23 PolarHBondContact O-N 3.2Å; A20-T23 PolarHBondContact O-OG1 3.05Å; L21-T23 PolarHBondContact O-N 3.22Å; L21-T23 VanDerWaalsContact O-N 3.16Å; T23-P266 HydrophobicContact CG2-CB 4.37Å; T23-T278 HydrophobicContact CG2-CG2 4.2Å; T23-R281 PolarHBondContact O-NH1 2.75Å; T23-R281 PolarHBondContact O-NH2 2.7Å; T23-R281 WeakPolarHBondContact OG1-CD 3.41Å; T23-R281 PolarHBondContact OG1-NH1 3.05Å
24L98.1Very high98.4Very high16 Ų1627.6 Ų27.68%0.08415%0.15CC..SBendtrans-94.2157.4175.2-65.9163.3000110.6L21 K22 H29 R281 A284L21-L24 HydrophobicContact CD2-CD1 4.08Å; L21-L24 WeakPolarHBondContact O-CB 3.34Å; L21-L24 PolarHBondContact O-N 2.87Å; K22-L24 VanDerWaalsContact C-N 3.33Å; L24-H29 HydrophobicContact CB-CB 4.33Å; L24-R281 HydrophobicContact CD1-CB 4.08Å; L24-R281 HydrophobicContact CD2-CB 4.27Å; L24-R281 HydrophobicContact CG-CB 4.06Å; L24-A284 HydrophobicContact CD1-CB 4.07Å
25P97.8Very high98.4Very high51 Ų5127.6 Ų27.633%0.33115%0.15SC..  trans-60.5137.1177.7-19.331.7000112.2E27 D28 H29P25-E27 VanDerWaalsContact C-N 3.26Å; P25-E27 HydrophobicContact CB-CG 4.01Å; P25-E27 VanDerWaalsContact CB-OE2 3.28Å; P25-E27 WeakPolarHBondContact CB-OE2 3.2Å; P25-E27 PolarHBondContact O-N 3.17Å; P25-D28 HydrophobicContact CB-CB 4.31Å; P25-D28 WeakPolarHBondContact O-CB 3.35Å; P25-D28 PolarHBondContact O-N 2.93Å; P25-H29 PolarHBondContact O-N 3.46Å
26A96Very high98.3Very high64 Ų6427.5 Ų27.553%0.52915%0.151SC..THydrogen-bonded Turntrans-72.2-21-176.300000113.1D28 Q30A26-D28 PolarHBondContact O-N 3.2Å; A26-Q30 VanDerWaalsContact O-CG 3.26Å; A26-Q30 WeakPolarHBondContact O-CG 3.46Å; A26-Q30 PolarHBondContact O-NE2 3.48Å; A26-Q30 VanDerWaalsContact O-NE2 3.08Å
27E97.3Very high98.2Very high135 Ų13537.1 Ų37.163%0.63119%0.187SC*.THydrogen-bonded Turntrans-69.5-18.5169.462.6-91.4-142.500112.9A2 P25A2-E27 VanDerWaalsContact CA-O 3.32Å; A2-E27 WeakPolarHBondContact CA-O 3.31Å; A2-E27 VanDerWaalsContact CB-O 3.3Å; A2-E27 WeakPolarHBondContact CB-O 3.27Å; A2-E27 PolarHBondContact N-O 2.98Å; P25-E27 VanDerWaalsContact C-N 3.26Å; P25-E27 HydrophobicContact CB-CG 4.01Å; P25-E27 VanDerWaalsContact CB-OE2 3.28Å; P25-E27 WeakPolarHBondContact CB-OE2 3.2Å; P25-E27 PolarHBondContact O-N 3.17Å
28D98.3Very high98.1Very high39 Ų3943.2 Ų43.221%0.20921%0.214CC..THydrogen-bonded Turntrans-106.5-36.3-177.9-75.1-17.1000112.6A2 T3 P25 A26 R288A2-D28 CarbonylContact C-O 3.56Å; A2-D28 WeakPolarHBondContact CA-O 3.36Å; T3-D28 PolarHBondContact N-O 2.55Å; P25-D28 HydrophobicContact CB-CB 4.31Å; P25-D28 WeakPolarHBondContact O-CB 3.35Å; P25-D28 PolarHBondContact O-N 2.93Å; A26-D28 PolarHBondContact O-N 3.2Å; D28-R288 VanDerWaalsContact CG-CZ 3.41Å; D28-R288 WeakPolarHBondContact O-CD 3.26Å; D28-R288 PolarHBondContact O-NE 2.68Å; D28-R288 IonicContact OD1-CZ 3.34Å; D28-R288 VanDerWaalsContact OD1-CZ 3.27Å; D28-R288 IonicContact OD1-NE 2.76Å; D28-R288 IonicContact OD1-NH2 3.05Å; D28-R288 PolarHBondContact OD1-NH2 3.04Å; D28-R288 IonicContact OD2-CZ 3.62Å; D28-R288 IonicContact OD2-NH1 3.61Å; D28-R288 IonicContact OD2-NH2 2.7Å
29H98.6Very high98.1Very high9 Ų946.4 Ų46.44%0.04223%0.23CC..EExtended strand (participates in β ladder)trans-134.7130.5-177.1-67.8-101.2000112W5 L21 L24 P25 A284 E285 R288W5-H29 AromaticContact CE2-ND1 3.89Å; W5-H29 AromaticContact NE1-ND1 3.14Å; W5-H29 PolarHBondContact NE1-ND1 2.94Å; W5-H29 VanDerWaalsContact NE1-ND1 3.14Å; L21-H29 HydrophobicContact CD2-CB 4.36Å; L24-H29 HydrophobicContact CB-CB 4.33Å; P25-H29 PolarHBondContact O-N 3.46Å; H29-A284 PolarHBondContact CE1-O 3.38Å; H29-E285 IonicContact NE2-OE2 2.74Å; H29-E285 PolarHBondContact NE2-OE2 2.88Å; H29-R288 WeakPolarHBondContact NE2-CD 3.28Å
30Q98.5Very high98.1Very high91 Ų9152.3 Ų52.343%0.42526%0.258SS..EExtended strand (participates in β ladder)trans-135.3131.3176-66.5-179-400110.7A2 T3 R4 W5 A26 V32A2-Q30 HydrophobicContact CB-CG 3.84Å; T3-Q30 PolarHBondContact O-N 2.98Å; R4-Q30 CarbonylContact C-O 3.58Å; R4-Q30 WeakPolarHBondContact CA-O 3.27Å; W5-Q30 PolarHBondContact N-O 2.85Å; A26-Q30 VanDerWaalsContact O-CG 3.26Å; A26-Q30 WeakPolarHBondContact O-CG 3.46Å; A26-Q30 PolarHBondContact O-NE2 3.48Å; A26-Q30 VanDerWaalsContact O-NE2 3.08Å; Q30-V32 HydrophobicContact CB-CG1 4.17Å
31V98.7Very high98.1Very high31 Ų3156 Ų5619%0.18828%0.277CS..EExtended strand (participates in β ladder)trans-93.6108.1171.2-175.10000108.1W5 I7 T18 L21 I51W5-V31 HydrophobicContact CB-CG2 4.34Å; I7-V31 HydrophobicContact CD1-CG1 4.18Å; I7-V31 HydrophobicContact CG1-CG1 3.61Å; T18-V31 HydrophobicContact CG2-CG1 4.45Å; T18-V31 HydrophobicContact CG2-CG2 4.27Å; L21-V31 HydrophobicContact CB-CG2 4.27Å; L21-V31 HydrophobicContact CD1-CG2 3.42Å; L21-V31 VanDerWaalsContact CD1-CG2 3.42Å; V31-I51 HydrophobicContact CB-CG1 4.35Å; V31-I51 HydrophobicContact CG1-CD1 3.56Å; V31-I51 HydrophobicContact CG1-CG1 3.77Å; V31-I51 HydrophobicContact CG1-CG2 4.29Å
32V98.6Very high98.1Very high15 Ų1555.6 Ų55.69%0.09128%0.275CS..EExtended strand (participates in β ladder)trans-101.3-26.3-169.3-610000113.3R4 W5 Q30 S52 K53 V67R4-V32 HydrophobicContact CB-CG1 3.86Å; R4-V32 HydrophobicContact CB-CG2 4.04Å; R4-V32 HydrophobicContact CG-CG1 4.04Å; W5-V32 PolarHBondContact O-N 3.3Å; Q30-V32 HydrophobicContact CB-CG1 4.17Å; V32-S52 PolarHBondContact O-OG 3.48Å; V32-K53 PolarHBondContact O-N 2.85Å; V32-V67 HydrophobicContact CG2-CG2 3.84Å
33A98.8Very high98.1Very high0 Ų056.1 Ų56.10%028%0.279CS..EExtended strand (participates in β ladder)trans-149.7151.1-177.100000112.6G6 I7 K53 Y55 L61 V67G6-A33 CarbonylContact C-O 3.33Å; G6-A33 WeakPolarHBondContact CA-O 3.47Å; I7-A33 PolarHBondContact N-O 3.07Å; A33-K53 WeakPolarHBondContact CA-O 3.33Å; A33-K53 HydrophobicContact CB-CB 4.02Å; A33-Y55 HydrophobicContact CB-CD2 4.3Å; A33-Y55 HydrophobicContact CB-CE2 3.85Å; A33-L61 HydrophobicContact CB-CD1 3.44Å; A33-L61 VanDerWaalsContact CB-CD1 3.44Å; A33-V67 HydrophobicContact CB-CG2 4.04Å
34V98.9Very high98.1Very high0 Ų060.4 Ų60.40%030%0.297CS..EExtended strand (participates in β ladder)trans-131.9146169.158.80000110I7 A42 F45 A46 I51 K53 A54 Y55I7-V34 HydrophobicContact CB-CB 4.17Å; I7-V34 HydrophobicContact CB-CG2 4.02Å; I7-V34 HydrophobicContact CG2-CG2 4.2Å; I7-V34 CarbonylContact O-C 3.45Å; I7-V34 WeakPolarHBondContact O-CA 3.22Å; V34-A42 WeakPolarHBondContact CG1-O 3.24Å; V34-F45 HydrophobicContact CB-CD1 4.15Å; V34-F45 HydrophobicContact CG1-CD1 4.18Å; V34-F45 HydrophobicContact CG2-CB 4.49Å; V34-F45 HydrophobicContact CG2-CD1 3.69Å; V34-F45 HydrophobicContact CG2-CE1 4.15Å; V34-F45 HydrophobicContact CG2-CG 4.19Å; V34-A46 HydrophobicContact CG1-CB 3.85Å; V34-I51 HydrophobicContact CB-CD1 4.16Å; V34-I51 HydrophobicContact CG1-CD1 4.22Å; V34-I51 HydrophobicContact CG1-CG2 4.41Å; V34-K53 PolarHBondContact N-O 2.86Å; V34-A54 HydrophobicContact CG1-CB 4.33Å; V34-A54 CarbonylContact O-C 3.55Å; V34-A54 WeakPolarHBondContact O-CA 3.2Å; V34-Y55 PolarHBondContact O-N 3.5Å
35A98.8Very high98.2Very high0 Ų060.2 Ų60.20%030%0.295CS..EExtended strand (participates in β ladder)trans-128.3143.1170.200000111.9I7 S9 Y55 S57 Y58 L61I7-A35 PolarHBondContact O-N 3.44Å; S9-A35 WeakPolarHBondContact CA-O 3.46Å; S9-A35 PolarHBondContact N-O 3.32Å; A35-Y55 WeakPolarHBondContact CA-O 3.16Å; A35-S57 WeakPolarHBondContact CB-O 3.41Å; A35-Y58 HydrophobicContact CB-CD1 3.78Å; A35-Y58 HydrophobicContact CB-CE1 4.36Å; A35-L61 HydrophobicContact CB-CB 3.76Å; A35-L61 HydrophobicContact CB-CD2 3.89Å; A35-L61 HydrophobicContact CB-CG 4.38Å
36A98.3Very high98.2Very high5 Ų558.2 Ų58.24%0.04128%0.283CS..  trans-129.6176.1168.100000109.2A10 K38 D41 A42 Y55 G56 S57A10-A36 HydrophobicContact CB-CB 4.03Å; A36-K38 PolarHBondContact O-N 3.01Å; A36-D41 HydrophobicContact CB-CB 3.88Å; A36-A42 HydrophobicContact CB-CB 3.93Å; A36-Y55 PolarHBondContact N-O 3.09Å; A36-Y55 VanDerWaalsContact N-O 3.17Å; A36-G56 CarbonylContact O-C 3.04Å; A36-S57 PolarHBondContact O-N 2.98Å
37R95.9Very high98.3Very high202 Ų20263.9 Ų63.976%0.76229%0.291SS*.SBendtrans-76.5-12.1176.4-65.4175.8-66.6179.1-0.8113.1G56 Y58R37-G56 CarbonylContact C-O 3.59Å; R37-Y58 HydrophobicContact CG-CE2 4.29Å
38K96.9Very high98.4Very high128 Ų12862.9 Ų62.956%0.55728%0.284SS*.SBendtrans-130.8134175.9-65-177.2-179.4-1800107.4A36 E40 D41 A42A36-K38 PolarHBondContact O-N 3.01Å; K38-E40 PolarHBondContact O-N 3.42Å; K38-D41 HydrophobicContact CB-CB 4.46Å; K38-D41 PolarHBondContact O-N 3.26Å; K38-A42 PolarHBondContact O-N 2.94Å
39L98.3Very high98.4Very high68 Ų6861.2 Ų61.236%0.35628%0.275SS..Hα-helixtrans-62.7-35.6-176.7179.460.8000111.3D41 A42 Q43L39-D41 PolarHBondContact O-N 3.38Å; L39-A42 PolarHBondContact O-N 3.5Å; L39-Q43 HydrophobicContact CD1-CG 4.19Å; L39-Q43 HydrophobicContact CG-CG 4.24Å; L39-Q43 WeakPolarHBondContact O-CB 3.27Å; L39-Q43 VanDerWaalsContact O-CG 3.32Å; L39-Q43 WeakPolarHBondContact O-CG 3.48Å; L39-Q43 PolarHBondContact O-N 2.71Å
40E98.4Very high98.3Very high123 Ų12367.5 Ų67.558%0.57531%0.309SS*.Hα-helixtrans-61.7-45.2-178.8-58.274.4-160.100111.3K38 A42 Q43 E44K38-E40 PolarHBondContact O-N 3.42Å; E40-A42 VanDerWaalsContact C-N 3.32Å; E40-A42 PolarHBondContact O-N 2.86Å; E40-Q43 PolarHBondContact O-N 3.09Å; E40-E44 PolarHBondContact O-N 3.23Å
41D98.3Very high98.3Very high77 Ų7763.9 Ų63.941%0.41229%0.293SS..Hα-helixtrans-61.9-41.6177-62.7-17.6000110.8A36 K38 L39 F45A36-D41 HydrophobicContact CB-CB 3.88Å; K38-D41 HydrophobicContact CB-CB 4.46Å; K38-D41 PolarHBondContact O-N 3.26Å; L39-D41 PolarHBondContact O-N 3.38Å; D41-F45 WeakPolarHBondContact O-CB 3.39Å; D41-F45 PolarHBondContact O-N 2.82Å
42A98.7Very high98.2Very high0 Ų067.2 Ų67.20%032%0.317CS..Hα-helixtrans-66.3-40.8177.400000111.8V34 A36 K38 L39 E40 F45 A46 A54 Y55V34-A42 WeakPolarHBondContact CG1-O 3.24Å; A36-A42 HydrophobicContact CB-CB 3.93Å; K38-A42 PolarHBondContact O-N 2.94Å; L39-A42 PolarHBondContact O-N 3.5Å; E40-A42 VanDerWaalsContact C-N 3.32Å; E40-A42 PolarHBondContact O-N 2.86Å; A42-F45 PolarHBondContact O-N 3.17Å; A42-A46 VanDerWaalsContact O-CB 3.26Å; A42-A46 WeakPolarHBondContact O-CB 3.41Å; A42-A46 PolarHBondContact O-N 3.42Å; A42-A54 HydrophobicContact CB-CB 4.05Å; A42-Y55 WeakPolarHBondContact CB-O 3.32Å
43Q98.8Very high98.2Very high93 Ų9369.1 Ų69.144%0.43532%0.324SS..Hα-helixtrans-68-38.8177.7-74.1174.6-16.500112.3L39 E40 A46 R47 A54L39-Q43 HydrophobicContact CD1-CG 4.19Å; L39-Q43 HydrophobicContact CG-CG 4.24Å; L39-Q43 WeakPolarHBondContact O-CB 3.27Å; L39-Q43 VanDerWaalsContact O-CG 3.32Å; L39-Q43 WeakPolarHBondContact O-CG 3.48Å; L39-Q43 PolarHBondContact O-N 2.71Å; E40-Q43 PolarHBondContact O-N 3.09Å; Q43-A46 PolarHBondContact O-N 3.32Å; Q43-R47 WeakPolarHBondContact O-CG 3.24Å; Q43-R47 PolarHBondContact O-N 3.06Å; Q43-A54 HydrophobicContact CG-CB 4.01Å
44E98.6Very high98.2Very high121 Ų12170.5 Ų70.557%0.56534%0.336SS*.Hα-helixtrans-62-48.1172.7-174.2179165.500111.2E40 A46 R47 K48E40-E44 PolarHBondContact O-N 3.23Å; E44-A46 PolarHBondContact O-N 3.15Å; E44-R47 PolarHBondContact O-N 3.29Å; E44-K48 PolarHBondContact O-N 3.4Å
45F98.8Very high98.2Very high13 Ų1372.6 Ų72.66%0.05734%0.344CS..Hα-helixtrans-60.2-45.4176.5-167.3-80.3000111.8I7 A10 H15 T18 V34 D41 A42 R47 K48 H49 I51I7-F45 HydrophobicContact CG2-CE1 4.4Å; I7-F45 HydrophobicContact CG2-CZ 4.44Å; A10-F45 HydrophobicContact CB-CB 3.81Å; A10-F45 HydrophobicContact CB-CD2 3.72Å; A10-F45 HydrophobicContact CB-CG 3.96Å; H15-F45 HydrophobicContact CB-CE2 3.98Å; H15-F45 HydrophobicContact CB-CZ 4.49Å; T18-F45 HydrophobicContact CG2-CE1 4.41Å; V34-F45 HydrophobicContact CB-CD1 4.15Å; V34-F45 HydrophobicContact CG1-CD1 4.18Å; V34-F45 HydrophobicContact CG2-CB 4.49Å; V34-F45 HydrophobicContact CG2-CD1 3.69Å; V34-F45 HydrophobicContact CG2-CE1 4.15Å; V34-F45 HydrophobicContact CG2-CG 4.19Å; D41-F45 WeakPolarHBondContact O-CB 3.39Å; D41-F45 PolarHBondContact O-N 2.82Å; A42-F45 PolarHBondContact O-N 3.17Å; F45-R47 PolarHBondContact O-N 2.95Å; F45-K48 PolarHBondContact O-N 3.49Å; F45-H49 AromaticContact CD1-CD2 3.61Å; F45-H49 HydrophobicContact CE1-CB 4.42Å; F45-H49 AromaticContact CE1-CD2 3.39Å; F45-H49 WeakPolarHBondContact CE1-CD2 3.41Å; F45-H49 AromaticContact CE1-CG 3.96Å; F45-H49 AromaticContact CE1-NE2 3.91Å; F45-H49 AromaticContact CE2-CD2 3.92Å; F45-H49 AromaticContact CE2-NE2 3.75Å; F45-H49 AromaticContact CG-CD2 3.98Å; F45-H49 AromaticContact CZ-CD2 3.56Å; F45-H49 AromaticContact CZ-NE2 3.56Å; F45-H49 PolarHBondContact O-CD2 3.47Å; F45-H49 VanDerWaalsContact O-CD2 3.3Å; F45-H49 PolarHBondContact O-N 3.24Å; F45-I51 HydrophobicContact CD1-CD1 3.89Å; F45-I51 HydrophobicContact CE1-CD1 3.79Å
46A98.8Very high98.2Very high8 Ų873.5 Ų73.57%0.06635%0.353CS..Hα-helixtrans-60.5-43.917900000112.1V34 A42 Q43 E44 H49 N50 I51 A54V34-A46 HydrophobicContact CG1-CB 3.85Å; A42-A46 VanDerWaalsContact O-CB 3.26Å; A42-A46 WeakPolarHBondContact O-CB 3.41Å; A42-A46 PolarHBondContact O-N 3.42Å; Q43-A46 PolarHBondContact O-N 3.32Å; E44-A46 PolarHBondContact O-N 3.15Å; A46-H49 PolarHBondContact O-N 2.9Å; A46-N50 WeakPolarHBondContact O-CA 3.46Å; A46-N50 PolarHBondContact O-N 2.85Å; A46-I51 HydrophobicContact CB-CB 4.14Å; A46-I51 PolarHBondContact O-N 3.34Å; A46-A54 HydrophobicContact CB-CB 3.91Å
47R98.6Very high98.2Very high183 Ų18374.7 Ų74.769%0.69136%0.361SS*.Hα-helixtrans-60.9-46.9173.7-74.9-176.5-64.4149.9-0.5111.8Q43 E44 F45 H49 N50Q43-R47 WeakPolarHBondContact O-CG 3.24Å; Q43-R47 PolarHBondContact O-N 3.06Å; E44-R47 PolarHBondContact O-N 3.29Å; F45-R47 PolarHBondContact O-N 2.95Å; R47-H49 PolarHBondContact O-N 3.44Å; R47-N50 PolarHBondContact O-N 2.9Å
48K98.4Very high98.3Very high114 Ų11466.8 Ų66.850%0.49633%0.332SS..Hα-helixtrans-60.1-35.2179.7-174178.6-173.6-172.10112.4H15 E44 F45H15-K48 WeakPolarHBondContact CE1-CE 3.12Å; H15-K48 PolarHBondContact CE1-NZ 2.83Å; H15-K48 PolarHBondContact ND1-NZ 3.07Å; E44-K48 PolarHBondContact O-N 3.4Å; F45-K48 PolarHBondContact O-N 3.49Å
49H98.4Very high98.4Very high4 Ų464.8 Ų64.82%0.01932%0.324CS..Hα-helixtrans-102.6-2.8-175.1-71.1-84.3000115.1H15 T18 K22 F45 A46 R47 I51H15-H49 AromaticContact CE1-CE1 3.36Å; H15-H49 PolarHBondContact CE1-CE1 2.92Å; H15-H49 AromaticContact CE1-NE2 3.43Å; H15-H49 PolarHBondContact CE1-NE2 3.36Å; H15-H49 AromaticContact CG-CE1 3.92Å; H15-H49 AromaticContact CG-NE2 3.72Å; H15-H49 AromaticContact ND1-CE1 3.07Å; H15-H49 PolarHBondContact ND1-CE1 2.91Å; H15-H49 AromaticContact ND1-NE2 2.75Å; H15-H49 PolarHBondContact ND1-NE2 3.16Å; T18-H49 HydrophobicContact CG2-CB 3.79Å; T18-H49 WeakPolarHBondContact CG2-ND1 3.18Å; K22-H49 VanDerWaalsContact CE-O 3.26Å; K22-H49 WeakPolarHBondContact CE-O 3.21Å; K22-H49 PolarHBondContact NZ-O 3.29Å; F45-H49 AromaticContact CD1-CD2 3.61Å; F45-H49 HydrophobicContact CE1-CB 4.42Å; F45-H49 AromaticContact CE1-CD2 3.39Å; F45-H49 WeakPolarHBondContact CE1-CD2 3.41Å; F45-H49 AromaticContact CE1-CG 3.96Å; F45-H49 AromaticContact CE1-NE2 3.91Å; F45-H49 AromaticContact CE2-CD2 3.92Å; F45-H49 AromaticContact CE2-NE2 3.75Å; F45-H49 AromaticContact CG-CD2 3.98Å; F45-H49 AromaticContact CZ-CD2 3.56Å; F45-H49 AromaticContact CZ-NE2 3.56Å; F45-H49 PolarHBondContact O-CD2 3.47Å; F45-H49 VanDerWaalsContact O-CD2 3.3Å; F45-H49 PolarHBondContact O-N 3.24Å; A46-H49 PolarHBondContact O-N 2.9Å; R47-H49 PolarHBondContact O-N 3.44Å; H49-I51 HydrophobicContact CB-CD1 3.72Å; H49-I51 HydrophobicContact CB-CG1 3.79Å
50N97.8Very high98.4Very high142 Ų14265.3 Ų65.376%0.75933%0.325SS*.THydrogen-bonded Turntrans58.248-172-54-46.3000112.5A46 R47A46-N50 WeakPolarHBondContact O-CA 3.46Å; A46-N50 PolarHBondContact O-N 2.85Å; R47-N50 PolarHBondContact O-N 2.9Å
51I98.4Very high98.4Very high15 Ų1559.5 Ų59.58%0.07730%0.298CS..  trans-96.1133.1177.2-56.9168.4000108.7T18 V31 V34 F45 A46 H49T18-I51 HydrophobicContact CG2-CD1 4.32Å; V31-I51 HydrophobicContact CB-CG1 4.35Å; V31-I51 HydrophobicContact CG1-CD1 3.56Å; V31-I51 HydrophobicContact CG1-CG1 3.77Å; V31-I51 HydrophobicContact CG1-CG2 4.29Å; V34-I51 HydrophobicContact CB-CD1 4.16Å; V34-I51 HydrophobicContact CG1-CD1 4.22Å; V34-I51 HydrophobicContact CG1-CG2 4.41Å; F45-I51 HydrophobicContact CD1-CD1 3.89Å; F45-I51 HydrophobicContact CE1-CD1 3.79Å; A46-I51 HydrophobicContact CB-CB 4.14Å; A46-I51 PolarHBondContact O-N 3.34Å; H49-I51 HydrophobicContact CB-CD1 3.72Å; H49-I51 HydrophobicContact CB-CG1 3.79Å
52S95.6Very high98.4Very high100 Ų10056.1 Ų56.170%0.69928%0.28SS*.SBendtrans-70.6-31.2-172.442.60000114.9V32V32-S52 PolarHBondContact O-OG 3.48Å
53K98.6Very high98.4Very high56 Ų5664.8 Ų64.824%0.24331%0.313CS..EExtended strand (participates in β ladder)trans-125.2136-174.9-58.2-179.5-171.9178.30111.3V32 A33 V34 Y55 D64 D66V32-K53 PolarHBondContact O-N 2.85Å; A33-K53 WeakPolarHBondContact CA-O 3.33Å; A33-K53 HydrophobicContact CB-CB 4.02Å; V34-K53 PolarHBondContact N-O 2.86Å; K53-Y55 HydrophobicContact CB-CE2 4.16Å; K53-Y55 WeakPolarHBondContact CD-OH 3.35Å; K53-D64 WeakPolarHBondContact CD-OD2 3.43Å; K53-D64 IonicContact NZ-OD1 2.88Å; K53-D64 PolarHBondContact NZ-OD1 3.23Å; K53-D64 IonicContact NZ-OD2 3.07Å; K53-D64 PolarHBondContact NZ-OD2 3.1Å; K53-D64 VanDerWaalsContact NZ-OD2 3.07Å; K53-D66 IonicContact NZ-OD2 2.68Å; K53-D66 PolarHBondContact NZ-OD2 3.2Å
54A98.8Very high98.4Very high29 Ų2960.5 Ų60.524%0.2429%0.293CS..EExtended strand (participates in β ladder)trans-130.7132.6176.800000109.7V34 A42 Q43 A46V34-A54 HydrophobicContact CG1-CB 4.33Å; V34-A54 CarbonylContact O-C 3.55Å; V34-A54 WeakPolarHBondContact O-CA 3.2Å; A42-A54 HydrophobicContact CB-CB 4.05Å; Q43-A54 HydrophobicContact CG-CB 4.01Å; A46-A54 HydrophobicContact CB-CB 3.91Å
55Y98.8Very high98.4Very high43 Ų4359.5 Ų59.517%0.16930%0.297CS..EExtended strand (participates in β ladder)trans-122.5144.3-176.9-62.7-65.7000112A33 V34 A35 A36 A42 K53 S57 E60 L61 D64A33-Y55 HydrophobicContact CB-CD2 4.3Å; A33-Y55 HydrophobicContact CB-CE2 3.85Å; V34-Y55 PolarHBondContact O-N 3.5Å; A35-Y55 WeakPolarHBondContact CA-O 3.16Å; A36-Y55 PolarHBondContact N-O 3.09Å; A36-Y55 VanDerWaalsContact N-O 3.17Å; A42-Y55 WeakPolarHBondContact CB-O 3.32Å; K53-Y55 HydrophobicContact CB-CE2 4.16Å; K53-Y55 WeakPolarHBondContact CD-OH 3.35Å; Y55-S57 VanDerWaalsContact C-N 3.33Å; Y55-E60 HydrophobicContact CD1-CB 3.53Å; Y55-E60 HydrophobicContact CD1-CG 4.27Å; Y55-E60 HydrophobicContact CE1-CB 4.2Å; Y55-E60 HydrophobicContact CG-CB 3.73Å; Y55-L61 HydrophobicContact CD2-CB 4.1Å; Y55-L61 HydrophobicContact CD2-CD1 4.1Å; Y55-L61 HydrophobicContact CE2-CD1 4.27Å; Y55-D64 HydrophobicContact CE2-CB 4.15Å; Y55-D64 PolarHBondContact OH-OD2 3.37Å; Y55-D64 VanDerWaalsContact OH-OD2 3.05Å
56G98.3Very high98.4Very high19 Ų1962 Ų6220%0.19631%0.311CS..SBendtrans-86.9-2.4178.700000114.1A36 R37 E60A36-G56 CarbonylContact O-C 3.04Å; R37-G56 CarbonylContact C-O 3.59Å; G56-E60 PolarHBondContact N-OE2 2.81Å
57S98.5Very high98.4Very high30 Ų3061.7 Ų61.721%0.2131%0.309CS..SBendtrans-144.4154.5177.168.60000111.7A35 A36 Y55 E59 E60A35-S57 WeakPolarHBondContact CB-O 3.41Å; A36-S57 PolarHBondContact O-N 2.98Å; Y55-S57 VanDerWaalsContact C-N 3.33Å; S57-E59 VanDerWaalsContact C-N 3.27Å; S57-E59 WeakPolarHBondContact CB-OE2 3.36Å; S57-E60 WeakPolarHBondContact CB-OE2 3.35Å; S57-E60 PolarHBondContact N-OE2 2.98Å; S57-E60 WeakPolarHBondContact OG-CG 3.13Å; S57-E60 PolarHBondContact OG-N 3.41Å; S57-E60 PolarHBondContact OG-OE2 3.17Å
58Y98.7Very high98.4Very high37 Ų3755.3 Ų55.315%0.14529%0.288CS..Hα-helixtrans-72.4-26176-58.4-30.9000111.4C8 A35 R37 L61 A62 V74C8-Y58 VanDerWaalsContact SG-CD1 3.58Å; C8-Y58 VanDerWaalsContact SG-CE1 3.57Å; A35-Y58 HydrophobicContact CB-CD1 3.78Å; A35-Y58 HydrophobicContact CB-CE1 4.36Å; R37-Y58 HydrophobicContact CG-CE2 4.29Å; Y58-L61 PolarHBondContact O-N 2.58Å; Y58-A62 WeakPolarHBondContact O-CB 3.26Å; Y58-A62 PolarHBondContact O-N 2.92Å; Y58-V74 HydrophobicContact CE2-CG1 3.96Å; Y58-V74 WeakPolarHBondContact OH-CG1 3.47Å
59E98.7Very high98.4Very high86 Ų8649.9 Ų49.940%0.40227%0.265SS..Hα-helixtrans-66.1-37.1177.1-67.773.4-169.900112.1S57 A62 R63 L85S57-E59 VanDerWaalsContact C-N 3.27Å; S57-E59 WeakPolarHBondContact CB-OE2 3.36Å; E59-A62 PolarHBondContact O-N 3.42Å; E59-R63 WeakPolarHBondContact O-CG 3.4Å; E59-R63 PolarHBondContact O-N 3.39Å; E59-R63 PolarHBondContact O-NH1 3.28Å; E59-L85 HydrophobicContact CG-CD1 4.05Å; E59-L85 HydrophobicContact CG-CD2 4.31Å
60E98.7Very high98.4Very high79 Ų7949.7 Ų49.737%0.36926%0.264SS..Hα-helixtrans-63.9-45.7172.5-75.4167.397.100111.3Y55 G56 S57 A62 R63 D64Y55-E60 HydrophobicContact CD1-CB 3.53Å; Y55-E60 HydrophobicContact CD1-CG 4.27Å; Y55-E60 HydrophobicContact CE1-CB 4.2Å; Y55-E60 HydrophobicContact CG-CB 3.73Å; G56-E60 PolarHBondContact N-OE2 2.81Å; S57-E60 WeakPolarHBondContact CB-OE2 3.35Å; S57-E60 PolarHBondContact N-OE2 2.98Å; S57-E60 WeakPolarHBondContact OG-CG 3.13Å; S57-E60 PolarHBondContact OG-N 3.41Å; S57-E60 PolarHBondContact OG-OE2 3.17Å; E60-A62 VanDerWaalsContact C-N 3.3Å; E60-A62 PolarHBondContact O-N 2.82Å; E60-R63 PolarHBondContact O-N 3.4Å; E60-R63 VanDerWaalsContact O-N 3.13Å; E60-D64 PolarHBondContact O-N 2.88Å
61L98.8Very high98.5Very high0 Ų043 Ų430%023%0.228CC..Hα-helixtrans-61.4-39.6175.4-178.767.2000112C8 A33 A35 Y55 Y58 R63 D64 V67 V70 F86C8-L61 HydrophobicContact CB-CD2 4.32Å; A33-L61 HydrophobicContact CB-CD1 3.44Å; A33-L61 VanDerWaalsContact CB-CD1 3.44Å; A35-L61 HydrophobicContact CB-CB 3.76Å; A35-L61 HydrophobicContact CB-CD2 3.89Å; A35-L61 HydrophobicContact CB-CG 4.38Å; Y55-L61 HydrophobicContact CD2-CB 4.1Å; Y55-L61 HydrophobicContact CD2-CD1 4.1Å; Y55-L61 HydrophobicContact CE2-CD1 4.27Å; Y58-L61 PolarHBondContact O-N 2.58Å; L61-R63 PolarHBondContact O-N 3.42Å; L61-D64 PolarHBondContact O-N 3.23Å; L61-V67 HydrophobicContact CD1-CG2 3.88Å; L61-V70 HydrophobicContact CD2-CG1 4.24Å; L61-F86 HydrophobicContact CB-CE1 4.24Å; L61-F86 HydrophobicContact CD2-CE1 4.02Å; L61-F86 HydrophobicContact CD2-CZ 3.99Å; L61-F86 HydrophobicContact CG-CE1 4.1Å
62A98.8Very high98.5Very high6 Ų642.2 Ų42.25%0.0522%0.224CC..Hα-helixtrans-62.1-29.717800000112.4Y58 E59 E60 L85 F86 A89 K91Y58-A62 WeakPolarHBondContact O-CB 3.26Å; Y58-A62 PolarHBondContact O-N 2.92Å; E59-A62 PolarHBondContact O-N 3.42Å; E60-A62 VanDerWaalsContact C-N 3.3Å; E60-A62 PolarHBondContact O-N 2.82Å; A62-L85 HydrophobicContact CB-CD1 4.34Å; A62-L85 HydrophobicContact CB-CG 4.18Å; A62-F86 HydrophobicContact CB-CD1 3.77Å; A62-F86 HydrophobicContact CB-CE1 3.86Å; A62-A89 HydrophobicContact CB-CB 3.77Å; A62-K91 VanDerWaalsContact O-CE 3.23Å; A62-K91 WeakPolarHBondContact O-CE 3.06Å
63R98.7Very high98.6Very high182 Ų18237.6 Ų37.669%0.68719%0.192SC*.Hα-helixtrans-87.5-11.2178.3-66.9178.3-164.3110.8-1.5114E59 E60 L61 P65E59-R63 WeakPolarHBondContact O-CG 3.4Å; E59-R63 PolarHBondContact O-N 3.39Å; E59-R63 PolarHBondContact O-NH1 3.28Å; E60-R63 PolarHBondContact O-N 3.4Å; E60-R63 VanDerWaalsContact O-N 3.13Å; L61-R63 PolarHBondContact O-N 3.42Å; R63-P65 VanDerWaalsContact O-CD 3.28Å; R63-P65 WeakPolarHBondContact O-CD 3.29Å
64D98.7Very high98.6Very high3 Ų335.7 Ų35.72%0.01619%0.185CC..  trans-66.8114.5-177.3-172.1-12.7000110.6K53 Y55 E60 L61 D66 V67 K91K53-D64 WeakPolarHBondContact CD-OD2 3.43Å; K53-D64 IonicContact NZ-OD1 2.88Å; K53-D64 PolarHBondContact NZ-OD1 3.23Å; K53-D64 IonicContact NZ-OD2 3.07Å; K53-D64 PolarHBondContact NZ-OD2 3.1Å; K53-D64 VanDerWaalsContact NZ-OD2 3.07Å; Y55-D64 HydrophobicContact CE2-CB 4.15Å; Y55-D64 PolarHBondContact OH-OD2 3.37Å; Y55-D64 VanDerWaalsContact OH-OD2 3.05Å; E60-D64 PolarHBondContact O-N 2.88Å; L61-D64 PolarHBondContact O-N 3.23Å; D64-D66 PolarHBondContact O-N 2.97Å; D64-D66 WeakPolarHBondContact OD1-CB 3.28Å; D64-D66 PolarHBondContact OD1-N 3.41Å; D64-V67 HydrophobicContact CB-CG2 3.99Å; D64-V67 PolarHBondContact O-N 3.43Å; D64-K91 WeakPolarHBondContact O-CE 3.45Å; D64-K91 PolarHBondContact O-NZ 2.96Å
65P98.1Very high98.4Very high101 Ų10137.5 Ų37.566%0.65619%0.193SC*.THydrogen-bonded Turntrans-66.6-15.5-179.429.7-36.9000113.3R63 V67R63-P65 VanDerWaalsContact O-CD 3.28Å; R63-P65 WeakPolarHBondContact O-CD 3.29Å; P65-V67 VanDerWaalsContact C-N 3.34Å
66D98.2Very high98.2Very high65 Ų6536.7 Ų36.735%0.34819%0.191SC..THydrogen-bonded Turntrans-85.1-5.8-178.9-66.1-39.6000113.9R4 K53 D64R4-D66 WeakPolarHBondContact CB-O 3.43Å; R4-D66 WeakPolarHBondContact CD-O 3.48Å; R4-D66 VanDerWaalsContact CZ-O 3.27Å; R4-D66 PolarHBondContact NE-O 3.08Å; R4-D66 VanDerWaalsContact NE-O 3.14Å; R4-D66 IonicContact NH1-OD1 3.63Å; R4-D66 PolarHBondContact NH1-OD1 3.43Å; K53-D66 IonicContact NZ-OD2 2.68Å; K53-D66 PolarHBondContact NZ-OD2 3.2Å; D64-D66 PolarHBondContact O-N 2.97Å; D64-D66 WeakPolarHBondContact OD1-CB 3.28Å; D64-D66 PolarHBondContact OD1-N 3.41Å
67V98.8Very high98.1Very high2 Ų237 Ų371%0.01219%0.189CC..  trans-94.1121.4178.9175.40000110.7V32 A33 L61 D64 P65 V69 V70 K91V32-V67 HydrophobicContact CG2-CG2 3.84Å; A33-V67 HydrophobicContact CB-CG2 4.04Å; L61-V67 HydrophobicContact CD1-CG2 3.88Å; D64-V67 HydrophobicContact CB-CG2 3.99Å; D64-V67 PolarHBondContact O-N 3.43Å; P65-V67 VanDerWaalsContact C-N 3.34Å; V67-V69 WeakPolarHBondContact CG1-O 3.32Å; V67-V70 HydrophobicContact CG1-CG2 3.7Å; V67-K91 WeakPolarHBondContact O-CD 3.27Å; V67-K91 WeakPolarHBondContact O-CE 3.02Å; V67-K91 PolarHBondContact O-NZ 2.64Å
68D98.7Very high98.1Very high49 Ų4938 Ų3826%0.26220%0.196SC..SBendtrans-90.1-39.1176.5-59.2-41.7000111.8R4 N92R4-D68 HydrophobicContact CB-CB 4.47Å; R4-D68 VanDerWaalsContact CB-OD2 3.22Å; R4-D68 WeakPolarHBondContact CB-OD2 3.14Å; R4-D68 WeakPolarHBondContact CG-OD2 3.47Å; R4-D68 IonicContact CZ-OD1 2.68Å; R4-D68 IonicContact CZ-OD2 3.57Å; R4-D68 PolarHBondContact N-OD2 2.91Å; R4-D68 IonicContact NE-OD1 2.71Å; R4-D68 PolarHBondContact NE-OD1 2.83Å; R4-D68 IonicContact NE-OD2 3.27Å; R4-D68 PolarHBondContact NE-OD2 3.42Å; R4-D68 IonicContact NH2-OD1 3.66Å; R4-D68 PolarHBondContact NH2-OD1 3.37Å; R4-D68 IonicContact NH2-OD2 3.74Å; R4-D68 PolarHBondContact O-N 3.37Å; D68-N92 WeakPolarHBondContact O-CB 3.3Å; D68-N92 PolarHBondContact O-N 2.92Å; D68-N92 PolarHBondContact O-ND2 3.38Å
69V98.9Very high98.1Very high0 Ų036.3 Ų36.30%019%0.189CC..EExtended strand (participates in β ladder)trans-141.9142.2-177.658.20000110.5T3 R4 W5 G6 V67 N92 V287 L291T3-V69 HydrophobicContact CG2-CG1 3.46Å; T3-V69 VanDerWaalsContact CG2-CG1 3.46Å; R4-V69 PolarHBondContact O-N 2.98Å; W5-V69 CarbonylContact C-O 3.42Å; W5-V69 WeakPolarHBondContact CA-O 3.28Å; W5-V69 HydrophobicContact CD2-CG1 3.55Å; W5-V69 HydrophobicContact CE3-CG1 3.58Å; W5-V69 HydrophobicContact CE3-CG2 4.29Å; W5-V69 HydrophobicContact CG-CG1 4.1Å; W5-V69 HydrophobicContact CH2-CG1 4.11Å; W5-V69 HydrophobicContact CH2-CG2 4.36Å; W5-V69 HydrophobicContact CZ2-CG1 4.07Å; W5-V69 HydrophobicContact CZ3-CG1 3.86Å; W5-V69 HydrophobicContact CZ3-CG2 3.93Å; G6-V69 PolarHBondContact N-O 3.17Å; V67-V69 WeakPolarHBondContact CG1-O 3.32Å; V69-N92 CarbonylContact C-O 3.49Å; V69-N92 WeakPolarHBondContact CA-O 3.5Å; V69-N92 HydrophobicContact CB-CB 3.96Å; V69-N92 HydrophobicContact CG2-CB 3.96Å; V69-V287 HydrophobicContact CG2-CG1 4.05Å; V69-L291 HydrophobicContact CB-CD1 4.22Å; V69-L291 HydrophobicContact CG1-CD1 4.36Å
70V98.9Very high98.1Very high0 Ų033 Ų330%017%0.174CC..EExtended strand (participates in β ladder)trans-108.8128.4177.5-179.30000110G6 C8 L61 V67 V72 F86 K91 N92 V93 L94G6-V70 CarbonylContact O-C 3.03Å; G6-V70 VanDerWaalsContact O-CA 3.3Å; G6-V70 WeakPolarHBondContact O-CA 3.34Å; C8-V70 HydrophobicContact CB-CG1 3.78Å; L61-V70 HydrophobicContact CD2-CG1 4.24Å; V67-V70 HydrophobicContact CG1-CG2 3.7Å; V70-V72 HydrophobicContact CG1-CG2 4.09Å; V70-F86 HydrophobicContact CB-CD1 4.22Å; V70-F86 HydrophobicContact CB-CD2 4.27Å; V70-F86 HydrophobicContact CB-CG 4.1Å; V70-F86 HydrophobicContact CG1-CD1 4.14Å; V70-F86 HydrophobicContact CG1-CD2 3.78Å; V70-F86 HydrophobicContact CG1-CE1 4.03Å; V70-F86 HydrophobicContact CG1-CE2 3.7Å; V70-F86 HydrophobicContact CG1-CG 4.03Å; V70-F86 HydrophobicContact CG1-CZ 3.82Å; V70-F86 HydrophobicContact CG2-CD1 3.68Å; V70-F86 HydrophobicContact CG2-CE1 4Å; V70-F86 HydrophobicContact CG2-CG 4.02Å; V70-K91 HydrophobicContact CG2-CB 4.16Å; V70-K91 HydrophobicContact CG2-CG 4.37Å; V70-N92 PolarHBondContact N-O 3.3Å; V70-V93 WeakPolarHBondContact O-CA 3.38Å; V70-L94 PolarHBondContact O-N 2.83Å
71Y98.9Very high98Very high0 Ų034.7 Ų34.70%019%0.186CC..EExtended strand (participates in β ladder)trans-86.3117.3164.2171.7-96.8000109.2G6 I7 C8 I13 F17 L94 E96G6-Y71 PolarHBondContact O-N 3.38Å; I7-Y71 HydrophobicContact CD1-CD1 4.45Å; I7-Y71 HydrophobicContact CG2-CD1 4.44Å; C8-Y71 WeakPolarHBondContact CB-O 3.28Å; C8-Y71 PolarHBondContact N-O 3.13Å; I13-Y71 VanDerWaalsContact CG1-OH 3.27Å; I13-Y71 WeakPolarHBondContact CG1-OH 3.46Å; F17-Y71 HydrophobicContact CB-CD1 4.29Å; F17-Y71 HydrophobicContact CB-CD2 4.47Å; F17-Y71 HydrophobicContact CB-CE1 3.86Å; F17-Y71 HydrophobicContact CB-CE2 4.07Å; F17-Y71 AromaticContact CD1-CD1 3.8Å; F17-Y71 HydrophobicContact CD1-CD1 3.8Å; F17-Y71 AromaticContact CD1-CD2 3.65Å; F17-Y71 HydrophobicContact CD1-CD2 3.65Å; F17-Y71 HydrophobicContact CD1-CE1 4.23Å; F17-Y71 HydrophobicContact CD1-CE2 4.1Å; F17-Y71 AromaticContact CD1-CG 3.46Å; F17-Y71 HydrophobicContact CD1-CG 3.46Å; F17-Y71 VanDerWaalsContact CD1-CG 3.46Å; F17-Y71 AromaticContact CD2-CD2 3.81Å; F17-Y71 HydrophobicContact CD2-CD2 3.81Å; F17-Y71 AromaticContact CD2-CE2 3.67Å; F17-Y71 HydrophobicContact CD2-CE2 3.67Å; F17-Y71 HydrophobicContact CD2-CG 4.45Å; F17-Y71 HydrophobicContact CE1-CD1 4.41Å; F17-Y71 AromaticContact CE1-CD2 3.71Å; F17-Y71 HydrophobicContact CE1-CD2 3.71Å; F17-Y71 HydrophobicContact CE1-CE2 4.5Å; F17-Y71 AromaticContact CE1-CG 3.64Å; F17-Y71 HydrophobicContact CE1-CG 3.64Å; F17-Y71 AromaticContact CE2-CD2 3.91Å; F17-Y71 HydrophobicContact CE2-CD2 3.91Å; F17-Y71 HydrophobicContact CE2-CE2 4.14Å; F17-Y71 HydrophobicContact CG-CD1 4.12Å; F17-Y71 AromaticContact CG-CD2 3.71Å; F17-Y71 HydrophobicContact CG-CD2 3.71Å; F17-Y71 HydrophobicContact CG-CE1 4.09Å; F17-Y71 AromaticContact CG-CE2 3.68Å; F17-Y71 HydrophobicContact CG-CE2 3.68Å; F17-Y71 AromaticContact CG-CG 3.91Å; F17-Y71 HydrophobicContact CG-CG 3.91Å; F17-Y71 AromaticContact CG-CZ 3.85Å; F17-Y71 AromaticContact CZ-CD2 3.87Å; F17-Y71 HydrophobicContact CZ-CD2 3.87Å; F17-Y71 HydrophobicContact CZ-CG 4.26Å; Y71-L94 CarbonylContact C-O 3.49Å; Y71-L94 WeakPolarHBondContact CA-O 3.2Å; Y71-L94 HydrophobicContact CD2-CD2 4.07Å; Y71-L94 HydrophobicContact CD2-CG 4.13Å; Y71-E96 HydrophobicContact CE2-CG 4.02Å; Y71-E96 VanDerWaalsContact OH-CD 3.24Å; Y71-E96 WeakPolarHBondContact OH-CG 3.45Å; Y71-E96 PolarHBondContact OH-OE1 3.09Å
72V98.9Very high98Very high0 Ų035 Ų350%019%0.188CC..EExtended strand (participates in β ladder)trans-96.7100.1179.7177.20000108.9C8 V70 V74 A82 F86 V93 L94 C95 E96C8-V72 HydrophobicContact CB-CG2 4.44Å; V70-V72 HydrophobicContact CG1-CG2 4.09Å; V72-V74 HydrophobicContact CG1-CG2 3.87Å; V72-A82 HydrophobicContact CG1-CB 3.7Å; V72-F86 HydrophobicContact CG2-CD2 3.81Å; V72-F86 HydrophobicContact CG2-CE2 4.05Å; V72-V93 HydrophobicContact CG2-CG1 3.91Å; V72-L94 PolarHBondContact N-O 3.29Å; V72-C95 HydrophobicContact CB-CB 4.27Å; V72-E96 WeakPolarHBondContact O-CB 3.35Å; V72-E96 PolarHBondContact O-N 3.41Å
73G98.2Very high98Very high3 Ų334.7 Ų34.73%0.03119%0.186CC..  trans-113.437.1179.900000113.2C8 S9C8-G73 PolarHBondContact O-N 3.31Å; S9-G73 WeakPolarHBondContact CB-O 3.31Å; S9-G73 PolarHBondContact OG-O 2.98Å
74V97.6Very high98Very high16 Ų1629.1 Ų29.110%0.09717%0.166CC..SBendtrans-79.8178.5172.8-61.40000110.3Y58 V72 C78 H79 A82Y58-V74 HydrophobicContact CE2-CG1 3.96Å; Y58-V74 WeakPolarHBondContact OH-CG1 3.47Å; V72-V74 HydrophobicContact CG1-CG2 3.87Å; V74-C78 HydrophobicContact CB-CB 3.97Å; V74-C78 HydrophobicContact CG2-CB 3.51Å; V74-H79 PolarHBondContact O-NE2 3.18Å; V74-A82 HydrophobicContact CG2-CB 4.11Å
75V95.1Very high98.1Very high66 Ų6631.1 Ų31.140%0.418%0.177SC..  trans-75.8157.5174.7-66.50000111.1C78 H79 L164V75-C78 HydrophobicContact CG2-CB 4.37Å; V75-C78 WeakPolarHBondContact O-CB 3.2Å; V75-C78 PolarHBondContact O-N 3.48Å; V75-H79 PolarHBondContact O-CD2 2.96Å; V75-L164 HydrophobicContact CG2-CD2 4.42Å
76H94.9Very high98.1Very high27 Ų2726.3 Ų26.313%0.12515%0.146CC..G310 helixtrans-51-47.6-168.3-44.6152.8000114.4C78 H79 M101 G165 D171H76-C78 PolarHBondContact O-N 3.21Å; H76-H79 PolarHBondContact O-N 3.13Å; H76-H79 VanDerWaalsContact O-N 3.11Å; H76-M101 HydrophobicContact CB-SD 3.5Å; H76-M101 VanDerWaalsContact CB-SD 3.5Å; H76-G165 PolarHBondContact ND1-O 3.33Å; H76-D171 IonicContact CE1-OD1 3.35Å; H76-D171 PolarHBondContact CE1-OD1 2.93Å
77P95.9Very high98.1Very high26 Ų2623.2 Ų23.217%0.16913%0.129CC..G310 helixtrans-61.7-15.8179.5-2839.7000115.1M101 D163 L164P77-M101 HydrophobicContact CG-SD 4.12Å; P77-D163 WeakPolarHBondContact CG-O 3.37Å; P77-L164 WeakPolarHBondContact CD-O 3.3Å
78C97.3Very high98.1Very high51 Ų5127.3 Ų27.335%0.34515%0.151SC..G310 helixtrans-97.6-8-177.7-61.60000113V74 V75 H76 L80 A82V74-C78 HydrophobicContact CB-CB 3.97Å; V74-C78 HydrophobicContact CG2-CB 3.51Å; V75-C78 HydrophobicContact CG2-CB 4.37Å; V75-C78 WeakPolarHBondContact O-CB 3.2Å; V75-C78 PolarHBondContact O-N 3.48Å; H76-C78 PolarHBondContact O-N 3.21Å; C78-L80 PolarHBondContact O-N 2.94Å; C78-A82 WeakPolarHBondContact O-CB 3.23Å; C78-A82 PolarHBondContact O-N 3.3Å; C78-A82 VanDerWaalsContact O-N 3.08Å
79H98.4Very high98.1Very high0 Ų026.9 Ų26.90%015%0.154CC..Hα-helixtrans-59.4-46.6-177-69.1177.1000112.4V74 V75 H76 N81 A82 C83 E96 P98 L99V74-H79 PolarHBondContact O-NE2 3.18Å; V75-H79 PolarHBondContact O-CD2 2.96Å; H76-H79 PolarHBondContact O-N 3.13Å; H76-H79 VanDerWaalsContact O-N 3.11Å; H79-N81 PolarHBondContact O-N 3.35Å; H79-A82 PolarHBondContact O-N 3.49Å; H79-C83 VanDerWaalsContact O-CB 3.3Å; H79-C83 WeakPolarHBondContact O-CB 3.48Å; H79-C83 PolarHBondContact O-N 2.99Å; H79-C83 PolarHBondContact O-SG 3.42Å; H79-E96 PolarHBondContact CE1-O 2.97Å; H79-E96 PolarHBondContact ND1-O 3.29Å; H79-P98 PolarHBondContact CE1-O 2.76Å; H79-P98 PolarHBondContact ND1-O 2.89Å; H79-L99 WeakPolarHBondContact CB-O 3.03Å
80L98.6Very high98.1Very high16 Ų1634.2 Ų34.28%0.08419%0.186CC..Hα-helixtrans-54-54.4-180175.164.5000112.4C78 K84 E105 E108 I109C78-L80 PolarHBondContact O-N 2.94Å; L80-K84 HydrophobicContact CD1-CD 3.52Å; L80-K84 HydrophobicContact CD1-CG 4.23Å; L80-K84 HydrophobicContact CG-CD 4.02Å; L80-K84 WeakPolarHBondContact O-CB 3.36Å; L80-K84 WeakPolarHBondContact O-CG 3.46Å; L80-K84 PolarHBondContact O-N 3.09Å; L80-E105 HydrophobicContact CD1-CB 4.33Å; L80-E105 HydrophobicContact CD2-CB 4.24Å; L80-E105 HydrophobicContact CD2-CG 3.86Å; L80-E108 HydrophobicContact CD1-CB 3.82Å; L80-I109 HydrophobicContact CB-CD1 4.48Å; L80-I109 HydrophobicContact CD1-CD1 4.28Å; L80-I109 HydrophobicContact CD1-CG1 3.58Å
81N98.4Very high98.1Very high116 Ų11635.3 Ų35.362%0.6219%0.191SC*.Hα-helixtrans-67-42.5-176.6-70.5-31.2000111.7H79 L85H79-N81 PolarHBondContact O-N 3.35Å; N81-L85 WeakPolarHBondContact O-CB 3.41Å; N81-L85 PolarHBondContact O-N 2.98Å
82A98.7Very high98.1Very high6 Ų636.8 Ų36.85%0.0520%0.199CC..Hα-helixtrans-63.4-47.7177.200000111.5V72 V74 C78 H79 K84 L85 F86V72-A82 HydrophobicContact CG1-CB 3.7Å; V74-A82 HydrophobicContact CG2-CB 4.11Å; C78-A82 WeakPolarHBondContact O-CB 3.23Å; C78-A82 PolarHBondContact O-N 3.3Å; C78-A82 VanDerWaalsContact O-N 3.08Å; H79-A82 PolarHBondContact O-N 3.49Å; A82-K84 PolarHBondContact O-N 3.35Å; A82-L85 WeakPolarHBondContact O-CB 3.45Å; A82-L85 PolarHBondContact O-N 2.83Å; A82-F86 HydrophobicContact CB-CE2 4.49Å; A82-F86 WeakPolarHBondContact O-CD2 3.33Å; A82-F86 PolarHBondContact O-N 2.97Å
83C98.9Very high98.1Very high0 Ų036.8 Ų36.80%020%0.199CC..Hα-helixtrans-60.2-49.5177.8-70.20000111.4H79 L85 F86 T87 C95 I109H79-C83 VanDerWaalsContact O-CB 3.3Å; H79-C83 WeakPolarHBondContact O-CB 3.48Å; H79-C83 PolarHBondContact O-N 2.99Å; H79-C83 PolarHBondContact O-SG 3.42Å; C83-L85 VanDerWaalsContact C-N 3.27Å; C83-L85 PolarHBondContact O-N 3.2Å; C83-F86 PolarHBondContact O-N 2.87Å; C83-F86 VanDerWaalsContact O-N 3.15Å; C83-T87 WeakPolarHBondContact O-CG2 3.44Å; C83-T87 PolarHBondContact O-N 2.98Å; C83-T87 PolarHBondContact O-OG1 3.18Å; C83-C95 VanDerWaalsContact SG-CB 3.58Å; C83-C95 PolarHBondContact SG-SG 3.03Å; C83-I109 HydrophobicContact CB-CB 4.48Å; C83-I109 HydrophobicContact CB-CD1 4.15Å; C83-I109 HydrophobicContact CB-CG1 4.06Å; C83-I109 HydrophobicContact CB-CG2 3.63Å
84K98.8Very high98.1Very high65 Ų6536.7 Ų36.728%0.28320%0.197SC..Hα-helixtrans-59.7-36.5178.6-74.9173.175.2173.30112.3L80 A82 T87 N88 E108L80-K84 HydrophobicContact CD1-CD 3.52Å; L80-K84 HydrophobicContact CD1-CG 4.23Å; L80-K84 HydrophobicContact CG-CD 4.02Å; L80-K84 WeakPolarHBondContact O-CB 3.36Å; L80-K84 WeakPolarHBondContact O-CG 3.46Å; L80-K84 PolarHBondContact O-N 3.09Å; A82-K84 PolarHBondContact O-N 3.35Å; K84-T87 WeakPolarHBondContact CA-OG1 3.3Å; K84-T87 PolarHBondContact O-OG1 2.96Å; K84-N88 WeakPolarHBondContact O-CB 3.35Å; K84-N88 PolarHBondContact O-N 3.49Å; K84-N88 PolarHBondContact O-ND2 3.46Å; K84-E108 IonicContact NZ-OE2 2.73Å; K84-E108 PolarHBondContact NZ-OE2 3.26Å
85L98.8Very high98.2Very high45 Ų4535.9 Ų35.924%0.23619%0.193CC..Hα-helixtrans-59.3-51.4174.6173.464000111.2E59 A62 N81 A82 C83 A89E59-L85 HydrophobicContact CG-CD1 4.05Å; E59-L85 HydrophobicContact CG-CD2 4.31Å; A62-L85 HydrophobicContact CB-CD1 4.34Å; A62-L85 HydrophobicContact CB-CG 4.18Å; N81-L85 WeakPolarHBondContact O-CB 3.41Å; N81-L85 PolarHBondContact O-N 2.98Å; A82-L85 WeakPolarHBondContact O-CB 3.45Å; A82-L85 PolarHBondContact O-N 2.83Å; C83-L85 VanDerWaalsContact C-N 3.27Å; C83-L85 PolarHBondContact O-N 3.2Å; L85-A89 WeakPolarHBondContact O-CB 2.88Å; L85-A89 PolarHBondContact O-N 3.01Å; L85-A89 VanDerWaalsContact O-N 3.11Å
86F98.9Very high98.4Very high0 Ų033.5 Ų33.50%018%0.177CC..Hα-helixtrans-73.3-40.7-176.2-66-59.7000113.1C8 L61 A62 V70 V72 A82 C83 N88 A89 K90 K91 V93C8-F86 HydrophobicContact CB-CE2 3.67Å; C8-F86 HydrophobicContact CB-CZ 3.79Å; L61-F86 HydrophobicContact CB-CE1 4.24Å; L61-F86 HydrophobicContact CD2-CE1 4.02Å; L61-F86 HydrophobicContact CD2-CZ 3.99Å; L61-F86 HydrophobicContact CG-CE1 4.1Å; A62-F86 HydrophobicContact CB-CD1 3.77Å; A62-F86 HydrophobicContact CB-CE1 3.86Å; V70-F86 HydrophobicContact CB-CD1 4.22Å; V70-F86 HydrophobicContact CB-CD2 4.27Å; V70-F86 HydrophobicContact CB-CG 4.1Å; V70-F86 HydrophobicContact CG1-CD1 4.14Å; V70-F86 HydrophobicContact CG1-CD2 3.78Å; V70-F86 HydrophobicContact CG1-CE1 4.03Å; V70-F86 HydrophobicContact CG1-CE2 3.7Å; V70-F86 HydrophobicContact CG1-CG 4.03Å; V70-F86 HydrophobicContact CG1-CZ 3.82Å; V70-F86 HydrophobicContact CG2-CD1 3.68Å; V70-F86 HydrophobicContact CG2-CE1 4Å; V70-F86 HydrophobicContact CG2-CG 4.02Å; V72-F86 HydrophobicContact CG2-CD2 3.81Å; V72-F86 HydrophobicContact CG2-CE2 4.05Å; A82-F86 HydrophobicContact CB-CE2 4.49Å; A82-F86 WeakPolarHBondContact O-CD2 3.33Å; A82-F86 PolarHBondContact O-N 2.97Å; C83-F86 PolarHBondContact O-N 2.87Å; C83-F86 VanDerWaalsContact O-N 3.15Å; F86-N88 PolarHBondContact O-N 2.85Å; F86-A89 CarbonylContact O-C 3.56Å; F86-A89 PolarHBondContact O-N 3.15Å; F86-K90 PolarHBondContact O-N 2.68Å; F86-K91 HydrophobicContact CB-CB 4.16Å; F86-K91 WeakPolarHBondContact O-CB 3.29Å; F86-K91 PolarHBondContact O-N 3.23Å; F86-V93 HydrophobicContact CB-CG2 3.72Å
87T98.8Very high98.5Very high0 Ų033.4 Ų33.40%018%0.176CC..Hα-helixtrans-64.3-40.6176.355.10000111.5C83 K84 A89 K90 V93 S112 A113 N116 V118C83-T87 WeakPolarHBondContact O-CG2 3.44Å; C83-T87 PolarHBondContact O-N 2.98Å; C83-T87 PolarHBondContact O-OG1 3.18Å; K84-T87 WeakPolarHBondContact CA-OG1 3.3Å; K84-T87 PolarHBondContact O-OG1 2.96Å; T87-A89 VanDerWaalsContact C-N 3.28Å; T87-A89 PolarHBondContact O-N 3.43Å; T87-K90 WeakPolarHBondContact O-CA 3.35Å; T87-K90 PolarHBondContact O-N 3.38Å; T87-V93 HydrophobicContact CG2-CG2 3.98Å; T87-S112 PolarHBondContact OG1-OG 2.85Å; T87-A113 HydrophobicContact CG2-CB 4.07Å; T87-N116 WeakPolarHBondContact O-CB 3.38Å; T87-N116 VanDerWaalsContact O-CG 3.22Å; T87-N116 PolarHBondContact O-ND2 3.25Å; T87-V118 HydrophobicContact CG2-CG2 3.87Å
88N98.8Very high98.5Very high88 Ų8832.4 Ų32.447%0.47117%0.17SC..Hα-helixtrans-67.1-29.3174.9-70.9-27.2000112.6K84 F86 K90 S112 N116K84-N88 WeakPolarHBondContact O-CB 3.35Å; K84-N88 PolarHBondContact O-N 3.49Å; K84-N88 PolarHBondContact O-ND2 3.46Å; F86-N88 PolarHBondContact O-N 2.85Å; N88-K90 PolarHBondContact O-N 2.91Å; N88-S112 PolarHBondContact OD1-OG 3.28Å; N88-N116 PolarHBondContact OD1-ND2 2.92Å
89A98.8Very high98.6Very high40 Ų4030 Ų3033%0.33115%0.154SC..THydrogen-bonded Turntrans-78.87.9169.300000113.4A62 L85 F86 T87 K91A62-A89 HydrophobicContact CB-CB 3.77Å; L85-A89 WeakPolarHBondContact O-CB 2.88Å; L85-A89 PolarHBondContact O-N 3.01Å; L85-A89 VanDerWaalsContact O-N 3.11Å; F86-A89 CarbonylContact O-C 3.56Å; F86-A89 PolarHBondContact O-N 3.15Å; T87-A89 VanDerWaalsContact C-N 3.28Å; T87-A89 PolarHBondContact O-N 3.43Å; A89-K91 VanDerWaalsContact C-N 3.25Å; A89-K91 HydrophobicContact CB-CG 4.43Å; A89-K91 PolarHBondContact O-N 3.04Å
90K98.7Very high98.6Very high154 Ų15430.2 Ų30.267%0.6716%0.155SC*.THydrogen-bonded Turntrans59.930.6-179.7-54.2-179.5-179.2178.90113.9F86 T87 N88 V118F86-K90 PolarHBondContact O-N 2.68Å; T87-K90 WeakPolarHBondContact O-CA 3.35Å; T87-K90 PolarHBondContact O-N 3.38Å; N88-K90 PolarHBondContact O-N 2.91Å; K90-V118 VanDerWaalsContact C-CG1 3.46Å; K90-V118 HydrophobicContact CB-CG1 4.29Å
91K98.9Very high98.5Very high23 Ų2329.6 Ų29.610%0.115%0.152CC..  trans-88.8144.2169.9-58.5-56.6-172.1-178.40110.4A62 D64 V67 V70 F86 A89 V118A62-K91 VanDerWaalsContact O-CE 3.23Å; A62-K91 WeakPolarHBondContact O-CE 3.06Å; D64-K91 WeakPolarHBondContact O-CE 3.45Å; D64-K91 PolarHBondContact O-NZ 2.96Å; V67-K91 WeakPolarHBondContact O-CD 3.27Å; V67-K91 WeakPolarHBondContact O-CE 3.02Å; V67-K91 PolarHBondContact O-NZ 2.64Å; V70-K91 HydrophobicContact CG2-CB 4.16Å; V70-K91 HydrophobicContact CG2-CG 4.37Å; F86-K91 HydrophobicContact CB-CB 4.16Å; F86-K91 WeakPolarHBondContact O-CB 3.29Å; F86-K91 PolarHBondContact O-N 3.23Å; A89-K91 VanDerWaalsContact C-N 3.25Å; A89-K91 HydrophobicContact CB-CG 4.43Å; A89-K91 PolarHBondContact O-N 3.04Å; K91-V118 WeakPolarHBondContact O-CB 3.31Å
92N98.9Very high98.4Very high31 Ų3124.4 Ų24.417%0.16612%0.124CC..EExtended strand (participates in β ladder)trans-70.7151.2166.9-56.3-63.4000109.3D68 V69 V70 F119 L291D68-N92 WeakPolarHBondContact O-CB 3.3Å; D68-N92 PolarHBondContact O-N 2.92Å; D68-N92 PolarHBondContact O-ND2 3.38Å; V69-N92 CarbonylContact C-O 3.49Å; V69-N92 WeakPolarHBondContact CA-O 3.5Å; V69-N92 HydrophobicContact CB-CB 3.96Å; V69-N92 HydrophobicContact CG2-CB 3.96Å; V70-N92 PolarHBondContact N-O 3.3Å; N92-F119 CarbonylContact C-O 3.56Å; N92-F119 VanDerWaalsContact CA-O 3.3Å; N92-F119 WeakPolarHBondContact CA-O 3.45Å; N92-F119 HydrophobicContact CB-CB 4Å; N92-F119 HydrophobicContact CB-CD1 4.42Å; N92-F119 VanDerWaalsContact OD1-CB 3.32Å; N92-F119 WeakPolarHBondContact OD1-CB 3.01Å; N92-F119 PolarHBondContact OD1-N 3.23Å; N92-L291 HydrophobicContact CB-CD2 4.01Å
93V98.9Very high98.4Very high0 Ų024.8 Ų24.80%013%0.127CC..EExtended strand (participates in β ladder)trans-132.9130.2-173.5177.10000111.6V70 V72 F86 T87 C95 F119 L120 M121V70-V93 WeakPolarHBondContact O-CA 3.38Å; V72-V93 HydrophobicContact CG2-CG1 3.91Å; F86-V93 HydrophobicContact CB-CG2 3.72Å; T87-V93 HydrophobicContact CG2-CG2 3.98Å; V93-C95 HydrophobicContact CG1-CB 4.1Å; V93-F119 PolarHBondContact N-O 3.21Å; V93-L120 HydrophobicContact CB-CD1 3.75Å; V93-L120 HydrophobicContact CG1-CD1 3.75Å; V93-L120 CarbonylContact O-C 3.56Å; V93-L120 VanDerWaalsContact O-CA 3.31Å; V93-L120 WeakPolarHBondContact O-CA 3.47Å; V93-M121 PolarHBondContact O-N 3.43Å
94L98.9Very high98.4Very high0 Ų029.6 Ų29.60%015%0.148CC..EExtended strand (participates in β ladder)trans-109.3111.6158.417456.7000107.4W5 F17 V70 Y71 V72 M121 A123 E283 V287W5-L94 HydrophobicContact CH2-CD2 4.03Å; W5-L94 HydrophobicContact CZ3-CB 4.15Å; W5-L94 HydrophobicContact CZ3-CD2 4.01Å; F17-L94 HydrophobicContact CE2-CD2 3.78Å; F17-L94 HydrophobicContact CZ-CD2 3.79Å; V70-L94 PolarHBondContact O-N 2.83Å; Y71-L94 CarbonylContact C-O 3.49Å; Y71-L94 WeakPolarHBondContact CA-O 3.2Å; Y71-L94 HydrophobicContact CD2-CD2 4.07Å; Y71-L94 HydrophobicContact CD2-CG 4.13Å; V72-L94 PolarHBondContact N-O 3.29Å; L94-M121 WeakPolarHBondContact CA-O 3.43Å; L94-M121 HydrophobicContact CD1-CB 4.21Å; L94-M121 HydrophobicContact CD1-CE 3.49Å; L94-M121 VanDerWaalsContact CD1-CE 3.49Å; L94-M121 HydrophobicContact CD1-CG 4.3Å; L94-M121 WeakPolarHBondContact CD1-O 3.47Å; L94-A123 HydrophobicContact CD1-CB 3.66Å; L94-A123 HydrophobicContact CG-CB 4.16Å; L94-E283 HydrophobicContact CD2-CG 4.48Å; L94-V287 HydrophobicContact CB-CG2 4.31Å; L94-V287 HydrophobicContact CD1-CG2 4.36Å; L94-V287 HydrophobicContact CD2-CG2 4.08Å; L94-V287 HydrophobicContact CG-CG2 4.48Å
95C98.9Very high98.4Very high0 Ų027.1 Ų27.10%014%0.138CC..EExtended strand (participates in β ladder)trans-105.6135-177.3-175.60000111.5V72 C83 V93 L99 M121 E122 A123V72-C95 HydrophobicContact CB-CB 4.27Å; C83-C95 VanDerWaalsContact SG-CB 3.58Å; C83-C95 PolarHBondContact SG-SG 3.03Å; V93-C95 HydrophobicContact CG1-CB 4.1Å; C95-L99 HydrophobicContact CB-CD1 3.59Å; C95-M121 PolarHBondContact N-O 2.85Å; C95-E122 CarbonylContact O-C 3.5Å; C95-A123 WeakPolarHBondContact O-CB 3.2Å; C95-A123 PolarHBondContact O-N 3.17Å
96E98.6Very high98.4Very high15 Ų1525 Ų257%0.0713%0.127CC..EExtended strand (participates in β ladder)trans-53.8152.1172.8-88.8-62.5158.900113I13 Y71 V72 H79 P98 K280I13-E96 HydrophobicContact CG1-CG 4.23Å; I13-E96 WeakPolarHBondContact CG1-OE1 3.49Å; I13-E96 HydrophobicContact CG2-CG 4.18Å; Y71-E96 HydrophobicContact CE2-CG 4.02Å; Y71-E96 VanDerWaalsContact OH-CD 3.24Å; Y71-E96 WeakPolarHBondContact OH-CG 3.45Å; Y71-E96 PolarHBondContact OH-OE1 3.09Å; V72-E96 WeakPolarHBondContact O-CB 3.35Å; V72-E96 PolarHBondContact O-N 3.41Å; H79-E96 PolarHBondContact CE1-O 2.97Å; H79-E96 PolarHBondContact ND1-O 3.29Å; E96-P98 CarbonylContact O-C 3.57Å; E96-K280 WeakPolarHBondContact OE1-CE 3.15Å; E96-K280 IonicContact OE1-NZ 3.72Å; E96-K280 PolarHBondContact OE1-NZ 3.38Å; E96-K280 IonicContact OE2-NZ 2.95Å
97K96.8Very high98.4Very high25 Ų2530.6 Ų30.611%0.10915%0.151CC..SBendtrans-77.9162.417768.973.3165.4173.10110.8E122 L170 D171 I174 F175K97-E122 HydrophobicContact CB-CG 4.37Å; K97-L170 PolarHBondContact NZ-O 3.23Å; K97-D171 PolarHBondContact NZ-O 3.32Å; K97-I174 HydrophobicContact CD-CG2 3.72Å; K97-I174 VanDerWaalsContact NZ-CG2 3.34Å; K97-F175 HydrophobicContact CD-CZ 4.42Å
98P97.6Very high98.4Very high6 Ų633.6 Ų33.64%0.03917%0.165CC..SBendcis-56.8148.3-30.630-34.3000109H79 E96 A100 E122 L170 I174H79-P98 PolarHBondContact CE1-O 2.76Å; H79-P98 PolarHBondContact ND1-O 2.89Å; E96-P98 CarbonylContact O-C 3.57Å; P98-A100 PolarHBondContact O-N 3.05Å; P98-E122 WeakPolarHBondContact CA-OE1 3.43Å; P98-L170 HydrophobicContact CG-CB 4.29Å; P98-L170 HydrophobicContact CG-CD2 4.11Å; P98-I174 HydrophobicContact CB-CG1 4.37Å
99L98.4Very high98.4Very high1 Ų129.4 Ų29.41%0.00514%0.143CC..SBendtrans-53.3-34.9-173.817958.5000113.1H79 C95 V106 I109 L110 E122H79-L99 WeakPolarHBondContact CB-O 3.03Å; C95-L99 HydrophobicContact CB-CD1 3.59Å; L99-V106 HydrophobicContact CB-CG2 4.04Å; L99-V106 HydrophobicContact CD2-CG1 3.94Å; L99-V106 HydrophobicContact CD2-CG2 4.33Å; L99-V106 HydrophobicContact CG-CG2 4.24Å; L99-I109 HydrophobicContact CD1-CD1 4.24Å; L99-I109 HydrophobicContact CD1-CG2 4.34Å; L99-I109 HydrophobicContact CG-CD1 4.13Å; L99-I109 WeakPolarHBondContact O-CD1 3.47Å; L99-L110 HydrophobicContact CD2-CD2 4.21Å; L99-E122 HydrophobicContact CB-CB 4.13Å; L99-E122 HydrophobicContact CB-CG 3.88Å; L99-E122 HydrophobicContact CD1-CB 4.48Å; L99-E122 HydrophobicContact CD2-CB 4.44Å; L99-E122 PolarHBondContact N-OE1 3.09Å
100A97.7Very high98.4Very high4 Ų428.3 Ų28.33%0.03313%0.131CC..SBendtrans-154.7-176.7171.400000111P98 E105 V106 I109P98-A100 PolarHBondContact O-N 3.05Å; A100-E105 HydrophobicContact CB-CB 3.43Å; A100-E105 VanDerWaalsContact CB-CB 3.43Å; A100-V106 HydrophobicContact CB-CG2 3.74Å; A100-I109 HydrophobicContact CB-CD1 3.88Å
101M96.4Very high98.4Very high2 Ų225 Ų251%0.0112%0.121CC..SBendtrans-75.9-23.5-176.1-68.5-63.5-56.300114.1H76 P77 E105 L170 Y324 Q326H76-M101 HydrophobicContact CB-SD 3.5Å; H76-M101 VanDerWaalsContact CB-SD 3.5Å; P77-M101 HydrophobicContact CG-SD 4.12Å; M101-E105 WeakPolarHBondContact CB-OE2 3.48Å; M101-E105 PolarHBondContact N-OE2 2.88Å; M101-L170 HydrophobicContact CE-CD1 3.61Å; M101-L170 HydrophobicContact SD-CD1 4.2Å; M101-Y324 HydrophobicContact CE-CD1 3.78Å; M101-Y324 HydrophobicContact CE-CD2 3.85Å; M101-Y324 HydrophobicContact CE-CE1 4.13Å; M101-Y324 HydrophobicContact CE-CE2 4.21Å; M101-Y324 HydrophobicContact CE-CG 3.64Å; M101-Q326 HydrophobicContact CB-CB 4.02Å; M101-Q326 HydrophobicContact CB-CG 3.92Å; M101-Q326 HydrophobicContact CG-CG 3.94Å
102N97.8Very high98.4Very high7 Ų724.4 Ų24.44%0.03712%0.12CC..SBendtrans-157.4173.4179.561.942.7000111.9K104 E105 V106 D314 Q326 D327N102-K104 VanDerWaalsContact C-N 3.3Å; N102-K104 PolarHBondContact O-N 2.9Å; N102-K104 WeakPolarHBondContact OD1-CB 3.5Å; N102-K104 PolarHBondContact OD1-N 3.32Å; N102-K104 VanDerWaalsContact OD1-N 3.16Å; N102-E105 PolarHBondContact O-N 2.9Å; N102-E105 WeakPolarHBondContact OD1-CG 3.3Å; N102-E105 PolarHBondContact OD1-N 3.49Å; N102-V106 PolarHBondContact O-N 3.14Å; N102-D314 WeakPolarHBondContact CA-OD1 3.44Å; N102-D314 VanDerWaalsContact CB-OD1 3.3Å; N102-D314 WeakPolarHBondContact CB-OD1 3.36Å; N102-Q326 PolarHBondContact ND2-O 3.22Å; N102-D327 PolarHBondContact ND2-OD1 3.04Å; N102-D327 VanDerWaalsContact ND2-OD1 3.09Å
103A98.3Very high98.4Very high14 Ų1423 Ų2312%0.11611%0.112CC..Hα-helixtrans-64.8-31.1-177.400000113.4V106 K107 L307 A310 E311 D314A103-V106 PolarHBondContact O-N 3.15Å; A103-K107 WeakPolarHBondContact O-CB 3.32Å; A103-K107 PolarHBondContact O-N 2.92Å; A103-L307 HydrophobicContact CB-CD1 4.34Å; A103-A310 HydrophobicContact CB-CB 4.01Å; A103-E311 HydrophobicContact CB-CG 4Å; A103-D314 WeakPolarHBondContact CB-OD2 3.26Å; A103-D314 PolarHBondContact N-OD2 2.91Å
104K98.4Very high98.4Very high102 Ų10230.9 Ų30.944%0.44315%0.146SC..Hα-helixtrans-62.4-50.3175.5175.6-175167.3-177.10110.4N102 K107 E108 Q329N102-K104 VanDerWaalsContact C-N 3.3Å; N102-K104 PolarHBondContact O-N 2.9Å; N102-K104 WeakPolarHBondContact OD1-CB 3.5Å; N102-K104 PolarHBondContact OD1-N 3.32Å; N102-K104 VanDerWaalsContact OD1-N 3.16Å; K104-K107 WeakPolarHBondContact O-CB 3.3Å; K104-K107 PolarHBondContact O-N 3.32Å; K104-E108 PolarHBondContact O-N 3.11Å; K104-Q329 PolarHBondContact NZ-O 2.89Å; K104-Q329 PolarHBondContact NZ-OXT 3.04Å
105E98.6Very high98.4Very high12 Ų1239.2 Ų39.26%0.05618%0.182CC..Hα-helixtrans-64.7-41.5178.5-65-165.1152.900111.8L80 A100 M101 N102 K107 E108 I109 Q326L80-E105 HydrophobicContact CD1-CB 4.33Å; L80-E105 HydrophobicContact CD2-CB 4.24Å; L80-E105 HydrophobicContact CD2-CG 3.86Å; A100-E105 HydrophobicContact CB-CB 3.43Å; A100-E105 VanDerWaalsContact CB-CB 3.43Å; M101-E105 WeakPolarHBondContact CB-OE2 3.48Å; M101-E105 PolarHBondContact N-OE2 2.88Å; N102-E105 PolarHBondContact O-N 2.9Å; N102-E105 WeakPolarHBondContact OD1-CG 3.3Å; N102-E105 PolarHBondContact OD1-N 3.49Å; E105-K107 VanDerWaalsContact C-N 3.31Å; E105-K107 PolarHBondContact O-N 2.68Å; E105-E108 WeakPolarHBondContact O-CB 3.44Å; E105-E108 PolarHBondContact O-N 3.21Å; E105-E108 VanDerWaalsContact O-N 3.15Å; E105-I109 WeakPolarHBondContact O-CG1 3.47Å; E105-I109 PolarHBondContact O-N 3.24Å; E105-Q326 WeakPolarHBondContact OE1-CG 3.46Å
106V98.8Very high98.4Very high2 Ų240.9 Ų40.91%0.01219%0.191CC..Hα-helixtrans-55.5-49.6174.1165.50000110.1L99 A100 N102 A103 E108 I109 L110 L307 A310L99-V106 HydrophobicContact CB-CG2 4.04Å; L99-V106 HydrophobicContact CD2-CG1 3.94Å; L99-V106 HydrophobicContact CD2-CG2 4.33Å; L99-V106 HydrophobicContact CG-CG2 4.24Å; A100-V106 HydrophobicContact CB-CG2 3.74Å; N102-V106 PolarHBondContact O-N 3.14Å; A103-V106 PolarHBondContact O-N 3.15Å; V106-E108 VanDerWaalsContact C-N 3.3Å; V106-E108 PolarHBondContact O-N 3.42Å; V106-I109 PolarHBondContact O-N 3.09Å; V106-I109 VanDerWaalsContact O-N 3.09Å; V106-L110 HydrophobicContact CG1-CD1 3.91Å; V106-L110 HydrophobicContact CG1-CG 4.13Å; V106-L110 VanDerWaalsContact O-CG 3.31Å; V106-L110 WeakPolarHBondContact O-CG 3.48Å; V106-L110 PolarHBondContact O-N 2.74Å; V106-L307 HydrophobicContact CG1-CB 4.44Å; V106-L307 HydrophobicContact CG1-CD1 4.26Å; V106-A310 HydrophobicContact CB-CB 4.15Å; V106-A310 HydrophobicContact CG2-CB 3.72Å
107K98.7Very high98.4Very high117 Ų11745.3 Ų45.351%0.50922%0.216SC..Hα-helixtrans-57.2-42.1177.8-171.7-174.3174.9-162.70112.3A103 K104 E105 I109 L110 D111 L307A103-K107 WeakPolarHBondContact O-CB 3.32Å; A103-K107 PolarHBondContact O-N 2.92Å; K104-K107 WeakPolarHBondContact O-CB 3.3Å; K104-K107 PolarHBondContact O-N 3.32Å; E105-K107 VanDerWaalsContact C-N 3.31Å; E105-K107 PolarHBondContact O-N 2.68Å; K107-I109 VanDerWaalsContact C-N 3.33Å; K107-I109 PolarHBondContact O-N 2.9Å; K107-L110 PolarHBondContact O-N 3.39Å; K107-D111 WeakPolarHBondContact O-CB 3.44Å; K107-D111 PolarHBondContact O-N 2.85Å; K107-L307 HydrophobicContact CB-CD1 4.42Å
108E98.8Very high98.4Very high63 Ų6344.4 Ų44.429%0.29421%0.212SC..Hα-helixtrans-61.5-39.5176.4-74.4-169.6-138.600113.2L80 K84 K104 E105 V106 S112L80-E108 HydrophobicContact CD1-CB 3.82Å; K84-E108 IonicContact NZ-OE2 2.73Å; K84-E108 PolarHBondContact NZ-OE2 3.26Å; K104-E108 PolarHBondContact O-N 3.11Å; E105-E108 WeakPolarHBondContact O-CB 3.44Å; E105-E108 PolarHBondContact O-N 3.21Å; E105-E108 VanDerWaalsContact O-N 3.15Å; V106-E108 VanDerWaalsContact C-N 3.3Å; V106-E108 PolarHBondContact O-N 3.42Å; E108-S112 WeakPolarHBondContact O-CB 3.39Å; E108-S112 PolarHBondContact O-N 3.4Å
109I98.9Very high98.5Very high0 Ų044.2 Ų44.20%021%0.211CC..Hα-helixtrans-65.7-47.7176.2-62.7171.4000110.1L80 C83 L99 A100 E105 V106 K107 D111 S112 A113 L120L80-I109 HydrophobicContact CB-CD1 4.48Å; L80-I109 HydrophobicContact CD1-CD1 4.28Å; L80-I109 HydrophobicContact CD1-CG1 3.58Å; C83-I109 HydrophobicContact CB-CB 4.48Å; C83-I109 HydrophobicContact CB-CD1 4.15Å; C83-I109 HydrophobicContact CB-CG1 4.06Å; C83-I109 HydrophobicContact CB-CG2 3.63Å; L99-I109 HydrophobicContact CD1-CD1 4.24Å; L99-I109 HydrophobicContact CD1-CG2 4.34Å; L99-I109 HydrophobicContact CG-CD1 4.13Å; L99-I109 WeakPolarHBondContact O-CD1 3.47Å; A100-I109 HydrophobicContact CB-CD1 3.88Å; E105-I109 WeakPolarHBondContact O-CG1 3.47Å; E105-I109 PolarHBondContact O-N 3.24Å; V106-I109 PolarHBondContact O-N 3.09Å; V106-I109 VanDerWaalsContact O-N 3.09Å; K107-I109 VanDerWaalsContact C-N 3.33Å; K107-I109 PolarHBondContact O-N 2.9Å; I109-D111 PolarHBondContact O-N 2.94Å; I109-S112 WeakPolarHBondContact O-CB 3.4Å; I109-S112 PolarHBondContact O-N 2.89Å; I109-A113 PolarHBondContact O-N 2.98Å; I109-L120 HydrophobicContact CG2-CD1 4.06Å; I109-L120 HydrophobicContact CG2-CD2 3.62Å
110L98.9Very high98.5Very high17 Ų1744.2 Ų44.29%0.08921%0.211CC..Hα-helixtrans-59.6-47.2178.6-62.8-178.8000111.5L99 V106 K107 S112 A113 K114 L120 H303 L307L99-L110 HydrophobicContact CD2-CD2 4.21Å; V106-L110 HydrophobicContact CG1-CD1 3.91Å; V106-L110 HydrophobicContact CG1-CG 4.13Å; V106-L110 VanDerWaalsContact O-CG 3.31Å; V106-L110 WeakPolarHBondContact O-CG 3.48Å; V106-L110 PolarHBondContact O-N 2.74Å; K107-L110 PolarHBondContact O-N 3.39Å; L110-S112 VanDerWaalsContact C-N 3.29Å; L110-S112 PolarHBondContact O-N 2.97Å; L110-A113 PolarHBondContact O-N 3.45Å; L110-K114 WeakPolarHBondContact O-CB 3.48Å; L110-K114 PolarHBondContact O-N 2.99Å; L110-L120 HydrophobicContact CD2-CD2 3.63Å; L110-H303 HydrophobicContact CD1-CB 4.11Å; L110-H303 HydrophobicContact CD2-CB 3.73Å; L110-H303 HydrophobicContact CG-CB 4.47Å; L110-L307 HydrophobicContact CD1-CB 4.12Å
111D98.8Very high98.6Very high84 Ų8444 Ų4445%0.44921%0.209SC..Hα-helixtrans-61.6-38.2177.9-77.2-21.2000111.4K107 I109 K115K107-D111 WeakPolarHBondContact O-CB 3.44Å; K107-D111 PolarHBondContact O-N 2.85Å; I109-D111 PolarHBondContact O-N 2.94Å; D111-K115 WeakPolarHBondContact O-CB 3.37Å; D111-K115 PolarHBondContact O-N 3.3Å
112S98.8Very high98.7Very high11 Ų1144.2 Ų44.28%0.07721%0.21CC..Hα-helixtrans-66-44175.7-175.50000112.6T87 N88 E108 I109 L110 K115 N116T87-S112 PolarHBondContact OG1-OG 2.85Å; N88-S112 PolarHBondContact OD1-OG 3.28Å; E108-S112 WeakPolarHBondContact O-CB 3.39Å; E108-S112 PolarHBondContact O-N 3.4Å; I109-S112 WeakPolarHBondContact O-CB 3.4Å; I109-S112 PolarHBondContact O-N 2.89Å; L110-S112 VanDerWaalsContact C-N 3.29Å; L110-S112 PolarHBondContact O-N 2.97Å; S112-K115 PolarHBondContact O-N 3.18Å; S112-N116 PolarHBondContact O-N 3.24Å; S112-N116 VanDerWaalsContact O-N 3.09Å; S112-N116 PolarHBondContact O-ND2 3.24Å
113A98.8Very high98.8Very high0 Ų043.9 Ų43.90%021%0.208CC..Hα-helixtrans-63.3-45.1176.900000111.5T87 I109 L110 N116 N117 V118 L120T87-A113 HydrophobicContact CG2-CB 4.07Å; I109-A113 PolarHBondContact O-N 2.98Å; L110-A113 PolarHBondContact O-N 3.45Å; A113-N116 PolarHBondContact O-N 3.5Å; A113-N117 PolarHBondContact O-N 3.5Å; A113-V118 HydrophobicContact CB-CG2 4.03Å; A113-V118 PolarHBondContact O-N 3.39Å; A113-V118 VanDerWaalsContact O-N 3.13Å; A113-L120 HydrophobicContact CB-CB 3.59Å; A113-L120 HydrophobicContact CB-CD2 3.73Å; A113-L120 HydrophobicContact CB-CG 4.26Å
114K98.7Very high98.7Very high167 Ų16743.5 Ų43.573%0.72621%0.205SC*.Hα-helixtrans-60.4-48.4175.7-175.9177.1-178.5176.80112L110 N116 N117L110-K114 WeakPolarHBondContact O-CB 3.48Å; L110-K114 PolarHBondContact O-N 2.99Å; K114-N116 VanDerWaalsContact C-N 3.28Å; K114-N116 PolarHBondContact O-N 3.09Å; K114-N117 PolarHBondContact O-N 2.86Å; K114-N117 VanDerWaalsContact O-N 3.17Å
115K98.8Very high98.7Very high174 Ų17439.3 Ų39.376%0.75719%0.187SC*.Hα-helixtrans-58-39.7178.8178.3-179.1176-177.60112.4D111 S112D111-K115 WeakPolarHBondContact O-CB 3.37Å; D111-K115 PolarHBondContact O-N 3.3Å; S112-K115 PolarHBondContact O-N 3.18Å
116N98.8Very high98.7Very high35 Ų3538.7 Ų38.719%0.18718%0.184CC..Hα-helixtrans-921.4-178.1-67.3-67.6000113.6T87 N88 S112 A113 K114 V118T87-N116 WeakPolarHBondContact O-CB 3.38Å; T87-N116 VanDerWaalsContact O-CG 3.22Å; T87-N116 PolarHBondContact O-ND2 3.25Å; N88-N116 PolarHBondContact OD1-ND2 2.92Å; S112-N116 PolarHBondContact O-N 3.24Å; S112-N116 VanDerWaalsContact O-N 3.09Å; S112-N116 PolarHBondContact O-ND2 3.24Å; A113-N116 PolarHBondContact O-N 3.5Å; K114-N116 VanDerWaalsContact C-N 3.28Å; K114-N116 PolarHBondContact O-N 3.09Å; N116-V118 VanDerWaalsContact C-N 3.31Å; N116-V118 HydrophobicContact CB-CG1 4.47Å; N116-V118 HydrophobicContact CB-CG2 4.44Å; N116-V118 PolarHBondContact O-N 2.92Å
117N98.6Very high98.7Very high108 Ų10838.9 Ų38.958%0.57818%0.184SC*.THydrogen-bonded Turntrans54.342.1179.8-169.329.9000113.8A113 K114 K296A113-N117 PolarHBondContact O-N 3.5Å; K114-N117 PolarHBondContact O-N 2.86Å; K114-N117 VanDerWaalsContact O-N 3.17Å; N117-K296 PolarHBondContact O-NZ 2.91Å; N117-K296 WeakPolarHBondContact OD1-CE 3.5Å
118V98.9Very high98.7Very high7 Ų734 Ų344%0.04216%0.163CC..  trans-108.4155.8177.7-65.50000111.2T87 K90 K91 A113 N116T87-V118 HydrophobicContact CG2-CG2 3.87Å; K90-V118 VanDerWaalsContact C-CG1 3.46Å; K90-V118 HydrophobicContact CB-CG1 4.29Å; K91-V118 WeakPolarHBondContact O-CB 3.31Å; A113-V118 HydrophobicContact CB-CG2 4.03Å; A113-V118 PolarHBondContact O-N 3.39Å; A113-V118 VanDerWaalsContact O-N 3.13Å; N116-V118 VanDerWaalsContact C-N 3.31Å; N116-V118 HydrophobicContact CB-CG1 4.47Å; N116-V118 HydrophobicContact CB-CG2 4.44Å; N116-V118 PolarHBondContact O-N 2.92Å
119F98.9Very high98.7Very high1 Ų131 Ų310%0.00415%0.149CC..  trans-70.4138.1169.3173.3-86.2000110.5N92 V93 M121 V287 C290 L291 K296N92-F119 CarbonylContact C-O 3.56Å; N92-F119 VanDerWaalsContact CA-O 3.3Å; N92-F119 WeakPolarHBondContact CA-O 3.45Å; N92-F119 HydrophobicContact CB-CB 4Å; N92-F119 HydrophobicContact CB-CD1 4.42Å; N92-F119 VanDerWaalsContact OD1-CB 3.32Å; N92-F119 WeakPolarHBondContact OD1-CB 3.01Å; N92-F119 PolarHBondContact OD1-N 3.23Å; V93-F119 PolarHBondContact N-O 3.21Å; F119-M121 HydrophobicContact CE1-CB 3.57Å; F119-M121 HydrophobicContact CZ-CB 3.54Å; F119-M121 HydrophobicContact CZ-CG 4.37Å; F119-M121 HydrophobicContact CZ-SD 4.13Å; F119-V287 HydrophobicContact CD1-CG1 4.45Å; F119-V287 HydrophobicContact CE1-CB 4.33Å; F119-V287 HydrophobicContact CE1-CG1 3.96Å; F119-V287 HydrophobicContact CE1-CG2 3.87Å; F119-V287 HydrophobicContact CZ-CG2 4.13Å; F119-C290 HydrophobicContact CD2-CB 3.95Å; F119-C290 HydrophobicContact CE2-CB 3.35Å; F119-C290 HydrophobicContact CZ-CB 4.01Å; F119-L291 HydrophobicContact CB-CD2 3.62Å; F119-L291 HydrophobicContact CD1-CD2 4.31Å; F119-L291 HydrophobicContact CG-CD2 3.93Å; F119-K296 WeakPolarHBondContact CA-O 3.35Å
120L98.9Very high98.7Very high1 Ų133 Ų331%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-137.3137172172.573.1000109.5V93 I109 L110 A113 K296 H303V93-L120 HydrophobicContact CB-CD1 3.75Å; V93-L120 HydrophobicContact CG1-CD1 3.75Å; V93-L120 CarbonylContact O-C 3.56Å; V93-L120 VanDerWaalsContact O-CA 3.31Å; V93-L120 WeakPolarHBondContact O-CA 3.47Å; I109-L120 HydrophobicContact CG2-CD1 4.06Å; I109-L120 HydrophobicContact CG2-CD2 3.62Å; L110-L120 HydrophobicContact CD2-CD2 3.63Å; A113-L120 HydrophobicContact CB-CB 3.59Å; A113-L120 HydrophobicContact CB-CD2 3.73Å; A113-L120 HydrophobicContact CB-CG 4.26Å; L120-K296 PolarHBondContact N-O 3.45Å; L120-K296 VanDerWaalsContact N-O 3.09Å; L120-H303 PolarHBondContact O-NE2 3.07Å
121M98.9Very high98.7Very high0 Ų032.2 Ų32.20%016%0.158CC..EExtended strand (participates in β ladder)trans-142.5137.5171.8-175.5175.791.900110.7V93 L94 C95 F119 F128 E283 E286 V287 S298 M301V93-M121 PolarHBondContact O-N 3.43Å; L94-M121 WeakPolarHBondContact CA-O 3.43Å; L94-M121 HydrophobicContact CD1-CB 4.21Å; L94-M121 HydrophobicContact CD1-CE 3.49Å; L94-M121 VanDerWaalsContact CD1-CE 3.49Å; L94-M121 HydrophobicContact CD1-CG 4.3Å; L94-M121 WeakPolarHBondContact CD1-O 3.47Å; C95-M121 PolarHBondContact N-O 2.85Å; F119-M121 HydrophobicContact CE1-CB 3.57Å; F119-M121 HydrophobicContact CZ-CB 3.54Å; F119-M121 HydrophobicContact CZ-CG 4.37Å; F119-M121 HydrophobicContact CZ-SD 4.13Å; M121-F128 HydrophobicContact CE-CE2 4.05Å; M121-F128 HydrophobicContact CE-CZ 3.94Å; M121-F128 HydrophobicContact SD-CE2 4.46Å; M121-F128 HydrophobicContact SD-CZ 3.83Å; M121-E283 HydrophobicContact CE-CB 4.01Å; M121-E286 HydrophobicContact SD-CG 4.07Å; M121-V287 HydrophobicContact CE-CG2 3.52Å; M121-V287 HydrophobicContact SD-CG2 4.21Å; M121-S298 WeakPolarHBondContact SD-CB 3.47Å; M121-M301 HydrophobicContact CG-CB 4.31Å
122E98.9Very high98.7Very high7 Ų728.2 Ų28.23%0.03314%0.137CC..EExtended strand (participates in β ladder)trans-75.4133.3164.4179.7173.6-162.300110C95 K97 P98 L99 A124 M301 S306C95-E122 CarbonylContact O-C 3.5Å; K97-E122 HydrophobicContact CB-CG 4.37Å; P98-E122 WeakPolarHBondContact CA-OE1 3.43Å; L99-E122 HydrophobicContact CB-CB 4.13Å; L99-E122 HydrophobicContact CB-CG 3.88Å; L99-E122 HydrophobicContact CD1-CB 4.48Å; L99-E122 HydrophobicContact CD2-CB 4.44Å; L99-E122 PolarHBondContact N-OE1 3.09Å; E122-A124 PolarHBondContact O-N 2.6Å; E122-M301 HydrophobicContact CB-CG 4.44Å; E122-S306 VanDerWaalsContact CB-OG 3.3Å; E122-S306 WeakPolarHBondContact CB-OG 3.37Å; E122-S306 WeakPolarHBondContact OE2-CA 3.47Å; E122-S306 VanDerWaalsContact OE2-CB 3.23Å; E122-S306 WeakPolarHBondContact OE2-CB 3.04Å; E122-S306 PolarHBondContact OE2-OG 3.47Å
123A98.6Very high98.7Very high0 Ų030.2 Ų30.20%015%0.148CC..EExtended strand (participates in β ladder)trans-77.157.4-177.800000112.1L94 C95 W125 E283L94-A123 HydrophobicContact CD1-CB 3.66Å; L94-A123 HydrophobicContact CG-CB 4.16Å; C95-A123 WeakPolarHBondContact O-CB 3.2Å; C95-A123 PolarHBondContact O-N 3.17Å; A123-W125 PolarHBondContact O-N 2.73Å; A123-E283 VanDerWaalsContact CA-OE2 3.24Å; A123-E283 WeakPolarHBondContact CA-OE2 3.41Å; A123-E283 VanDerWaalsContact CB-OE2 3.28Å; A123-E283 WeakPolarHBondContact CB-OE2 3.48Å
124A97.6Very high98.7Very high6 Ų633.1 Ų33.15%0.0516%0.162CC..  trans-75.356.8171.200000110.8E122 T126 R127 M301E122-A124 PolarHBondContact O-N 2.6Å; A124-T126 PolarHBondContact O-N 3.26Å; A124-R127 HydrophobicContact CB-CG 4.42Å; A124-R127 WeakPolarHBondContact O-CB 3.45Å; A124-R127 PolarHBondContact O-N 3.46Å; A124-M301 HydrophobicContact CB-CG 4.15Å; A124-M301 HydrophobicContact CB-SD 3.77Å
125W98.4Very high98.7Very high13 Ų1325.1 Ų25.15%0.04913%0.127CC..G310 helixtrans-46.7-34.4-169.967.9-48.3000115.3A123 R127 F128 F129 F175 C250 K280 E283A123-W125 PolarHBondContact O-N 2.73Å; W125-R127 PolarHBondContact O-N 2.91Å; W125-R127 VanDerWaalsContact O-N 3.13Å; W125-F128 PolarHBondContact O-N 3.12Å; W125-F129 HydrophobicContact CD2-CE2 4.21Å; W125-F129 AromaticContact CE3-CE2 3.79Å; W125-F129 HydrophobicContact CE3-CE2 3.79Å; W125-F129 HydrophobicContact CE3-CZ 4.02Å; W125-F129 HydrophobicContact CZ3-CE2 4.3Å; W125-F129 HydrophobicContact CZ3-CZ 4.09Å; W125-F129 WeakPolarHBondContact O-CD2 3.3Å; W125-F175 AromaticContact CD1-CE1 3.77Å; W125-F175 AromaticContact NE1-CE1 3.16Å; W125-F175 AromaticContact NE1-CZ 3.47Å; W125-C250 HydrophobicContact CH2-CB 4.07Å; W125-C250 HydrophobicContact CZ2-CB 4.41Å; W125-C250 HydrophobicContact CZ3-CB 4.32Å; W125-K280 HydrophobicContact CD2-CG 4.12Å; W125-K280 HydrophobicContact CE3-CB 4.45Å; W125-K280 HydrophobicContact CE3-CD 4.34Å; W125-K280 HydrophobicContact CE3-CG 3.35Å; W125-K280 HydrophobicContact CZ3-CG 3.77Å; W125-E283 WeakPolarHBondContact CA-OE2 3.34Å; W125-E283 HydrophobicContact CB-CG 4.18Å; W125-E283 WeakPolarHBondContact CB-OE1 3.22Å; W125-E283 VanDerWaalsContact CB-OE2 3.29Å; W125-E283 WeakPolarHBondContact CB-OE2 3.41Å; W125-E283 PolarHBondContact N-OE2 3.37Å
126T98.6Very high98.7Very high0 Ų019.9 Ų19.90%010%0.103CC..G310 helixtrans-51.4-35.9176.1-47.70000112.7A124 F128 S132 F175 W249A124-T126 PolarHBondContact O-N 3.26Å; T126-F128 PolarHBondContact O-N 3.44Å; T126-S132 WeakPolarHBondContact O-CB 3.37Å; T126-S132 PolarHBondContact O-OG 3.33Å; T126-F175 WeakPolarHBondContact OG1-CD1 3.48Å; T126-W249 WeakPolarHBondContact CB-O 3.48Å; T126-W249 WeakPolarHBondContact CG2-O 3.49Å; T126-W249 PolarHBondContact OG1-O 3.27Å
127R98.4Very high98.6Very high6 Ų621.7 Ų21.72%0.02311%0.112CC..G310 helixtrans-64.6-22-179.6-65.6-164.4167.1-160.62.8113.4A124 W125 R136 Q178 S181 M182 V300 D305A124-R127 HydrophobicContact CB-CG 4.42Å; A124-R127 WeakPolarHBondContact O-CB 3.45Å; A124-R127 PolarHBondContact O-N 3.46Å; W125-R127 PolarHBondContact O-N 2.91Å; W125-R127 VanDerWaalsContact O-N 3.13Å; R127-R136 PolarHBondContact O-NH1 2.87Å; R127-R136 PolarHBondContact O-NH2 2.97Å; R127-Q178 PolarHBondContact NH2-O 2.94Å; R127-S181 PolarHBondContact NH2-OG 2.73Å; R127-M182 HydrophobicContact CB-SD 4.45Å; R127-M182 HydrophobicContact CG-SD 4.22Å; R127-V300 HydrophobicContact CB-CG1 4.02Å; R127-V300 PolarHBondContact NH1-O 3.19Å; R127-D305 IonicContact CZ-OD2 2.69Å; R127-D305 IonicContact NH1-OD2 3.95Å; R127-D305 PolarHBondContact NH1-OD2 2.86Å; R127-D305 IonicContact NH2-OD2 3.32Å; R127-D305 PolarHBondContact NH2-OD2 2.88Å
128F98.7Very high98.6Very high14 Ų1417.1 Ų17.16%0.0619%0.088CC..G310 helixtrans-99.5-9.8-171.4-55.4-78000113.8M121 W125 T126 Y282 E283 E286 V300 M301M121-F128 HydrophobicContact CE-CE2 4.05Å; M121-F128 HydrophobicContact CE-CZ 3.94Å; M121-F128 HydrophobicContact SD-CE2 4.46Å; M121-F128 HydrophobicContact SD-CZ 3.83Å; W125-F128 PolarHBondContact O-N 3.12Å; T126-F128 PolarHBondContact O-N 3.44Å; F128-Y282 VanDerWaalsContact O-CB 3.27Å; F128-Y282 WeakPolarHBondContact O-CB 3.42Å; F128-E283 HydrophobicContact CB-CB 4.48Å; F128-E283 HydrophobicContact CD2-CB 3.57Å; F128-E283 HydrophobicContact CE2-CB 3.97Å; F128-E283 HydrophobicContact CG-CB 4.08Å; F128-E286 HydrophobicContact CD1-CB 3.79Å; F128-E286 HydrophobicContact CD1-CG 4.05Å; F128-E286 HydrophobicContact CE1-CB 3.69Å; F128-E286 HydrophobicContact CE1-CG 3.43Å; F128-E286 VanDerWaalsContact CE1-CG 3.43Å; F128-E286 HydrophobicContact CZ-CB 4.45Å; F128-E286 HydrophobicContact CZ-CG 4.11Å; F128-V300 HydrophobicContact CD1-CB 4.47Å; F128-V300 HydrophobicContact CD1-CG1 4.09Å; F128-V300 HydrophobicContact CE1-CB 3.67Å; F128-V300 HydrophobicContact CE1-CG1 3.6Å; F128-V300 HydrophobicContact CE1-CG2 4.36Å; F128-V300 HydrophobicContact CZ-CB 4.28Å; F128-V300 HydrophobicContact CZ-CG1 4.14Å; F128-M301 HydrophobicContact CZ-CB 4.06Å
129F98.8Very high98.6Very high0 Ų018.4 Ų18.40%09%0.094CC..SBendtrans-57.3140.8173.8-81.6-106.2000110.8W125 A131 S132 V133 C250 P251 V265 Y282W125-F129 HydrophobicContact CD2-CE2 4.21Å; W125-F129 AromaticContact CE3-CE2 3.79Å; W125-F129 HydrophobicContact CE3-CE2 3.79Å; W125-F129 HydrophobicContact CE3-CZ 4.02Å; W125-F129 HydrophobicContact CZ3-CE2 4.3Å; W125-F129 HydrophobicContact CZ3-CZ 4.09Å; W125-F129 WeakPolarHBondContact O-CD2 3.3Å; F129-A131 PolarHBondContact O-N 3.36Å; F129-A131 VanDerWaalsContact O-N 3.13Å; F129-S132 WeakPolarHBondContact O-CA 3.15Å; F129-S132 WeakPolarHBondContact O-CB 3.38Å; F129-S132 PolarHBondContact O-N 2.95Å; F129-V133 PolarHBondContact O-N 2.87Å; F129-C250 HydrophobicContact CE1-CB 3.9Å; F129-C250 HydrophobicContact CE2-CB 4.05Å; F129-C250 HydrophobicContact CZ-CB 3.44Å; F129-C250 VanDerWaalsContact CZ-CB 3.44Å; F129-P251 HydrophobicContact CB-CG 4.07Å; F129-P251 VanDerWaalsContact CD1-O 3.27Å; F129-P251 WeakPolarHBondContact CD1-O 3.41Å; F129-P251 HydrophobicContact CG-CG 4.34Å; F129-V265 HydrophobicContact CD1-CG1 4.47Å; F129-V265 HydrophobicContact CE1-CG1 3.85Å; F129-Y282 HydrophobicContact CD1-CD2 4.28Å; F129-Y282 AromaticContact CD1-CE2 3.99Å; F129-Y282 HydrophobicContact CD1-CE2 3.99Å; F129-Y282 HydrophobicContact CD2-CD2 4.37Å; F129-Y282 HydrophobicContact CE1-CE2 4.28Å; F129-Y282 HydrophobicContact CG-CD2 4.16Å; F129-Y282 HydrophobicContact CG-CE2 4.31Å
130P98.8Very high98.6Very high43 Ų4322.5 Ų22.528%0.27913%0.128SC..Hα-helixtrans-54.1-33.9176.8-2935000113.5V133 Q134 Y263 Y282P130-V133 PolarHBondContact O-N 2.91Å; P130-Q134 PolarHBondContact O-N 3.15Å; P130-Y263 HydrophobicContact CB-CD1 3.66Å; P130-Y263 HydrophobicContact CB-CE1 4.44Å; P130-Y263 HydrophobicContact CB-CG 4.17Å; P130-Y282 VanDerWaalsContact CD-CE2 3.42Å; P130-Y282 VanDerWaalsContact CD-CZ 3.49Å; P130-Y282 HydrophobicContact CG-CE1 3.96Å; P130-Y282 HydrophobicContact CG-CE2 4.27Å
131A98.6Very high98.6Very high0 Ų028.8 Ų28.80%016%0.157CC..Hα-helixtrans-58.6-49.8170.800000111.6F129 V133 Q134 I135 P251 L254 Y263F129-A131 PolarHBondContact O-N 3.36Å; F129-A131 VanDerWaalsContact O-N 3.13Å; A131-V133 VanDerWaalsContact C-N 3.34Å; A131-V133 PolarHBondContact O-N 2.9Å; A131-Q134 PolarHBondContact O-N 2.86Å; A131-Q134 VanDerWaalsContact O-N 3.12Å; A131-I135 WeakPolarHBondContact O-CG1 3.21Å; A131-I135 PolarHBondContact O-N 3.33Å; A131-P251 HydrophobicContact CB-CB 4.04Å; A131-P251 HydrophobicContact CB-CG 4.09Å; A131-P251 WeakPolarHBondContact CB-O 3.17Å; A131-L254 HydrophobicContact CB-CD1 4.37Å; A131-L254 HydrophobicContact CB-CD2 4.06Å; A131-L254 HydrophobicContact CB-CG 3.96Å; A131-L254 WeakPolarHBondContact O-CD1 3.38Å; A131-Y263 HydrophobicContact CB-CD2 3.73Å; A131-Y263 HydrophobicContact CB-CE2 4.21Å; A131-Y263 HydrophobicContact CB-CG 4.22Å
132S98.7Very high98.5Very high0 Ų034.6 Ų34.60%019%0.185CC..Hα-helixtrans-64.2-35.9176.9-59.40000113.2T126 F129 Q134 I135 R136T126-S132 WeakPolarHBondContact O-CB 3.37Å; T126-S132 PolarHBondContact O-OG 3.33Å; F129-S132 WeakPolarHBondContact O-CA 3.15Å; F129-S132 WeakPolarHBondContact O-CB 3.38Å; F129-S132 PolarHBondContact O-N 2.95Å; S132-Q134 VanDerWaalsContact C-N 3.33Å; S132-I135 WeakPolarHBondContact O-CB 3.42Å; S132-I135 PolarHBondContact O-N 3.42Å; S132-R136 PolarHBondContact O-N 2.92Å; S132-R136 VanDerWaalsContact O-N 3.13Å; S132-R136 PolarHBondContact O-NH1 2.97Å
133V98.6Very high98.5Very high53 Ų5340 Ų4032%0.32121%0.205SC..Hα-helixtrans-59.9-46.3171.21790000110F129 P130 A131 I135 R136 N137F129-V133 PolarHBondContact O-N 2.87Å; P130-V133 PolarHBondContact O-N 2.91Å; A131-V133 VanDerWaalsContact C-N 3.34Å; A131-V133 PolarHBondContact O-N 2.9Å; V133-I135 VanDerWaalsContact C-N 3.34Å; V133-I135 PolarHBondContact O-N 3.38Å; V133-R136 PolarHBondContact O-N 3.22Å; V133-N137 PolarHBondContact O-N 2.83Å
134Q98.8Very high98.5Very high60 Ų6040 Ų4028%0.2821%0.206SC..Hα-helixtrans-65.1-36.5178.4-176.462.87.400112.7P130 A131 S132 R136 N137 L138 L254 Y263P130-Q134 PolarHBondContact O-N 3.15Å; A131-Q134 PolarHBondContact O-N 2.86Å; A131-Q134 VanDerWaalsContact O-N 3.12Å; S132-Q134 VanDerWaalsContact C-N 3.33Å; Q134-R136 PolarHBondContact O-N 3.42Å; Q134-N137 PolarHBondContact O-N 3.22Å; Q134-L138 HydrophobicContact CG-CD1 4.02Å; Q134-L138 HydrophobicContact CG-CG 4.28Å; Q134-L138 VanDerWaalsContact O-CG 3.28Å; Q134-L138 WeakPolarHBondContact O-CG 3.2Å; Q134-L138 PolarHBondContact O-N 3.13Å; Q134-L254 HydrophobicContact CB-CD1 3.96Å; Q134-L254 HydrophobicContact CG-CD1 4.04Å; Q134-Y263 WeakPolarHBondContact CG-OH 3.34Å
135I98.8Very high98.5Very high0 Ų040.2 Ų40.20%021%0.208CC..Hα-helixtrans-55.4-53.1172-67.3172.6000109.5A131 S132 V133 N137 L138 L139 F179 M182 I235 I242 V244 L254A131-I135 WeakPolarHBondContact O-CG1 3.21Å; A131-I135 PolarHBondContact O-N 3.33Å; S132-I135 WeakPolarHBondContact O-CB 3.42Å; S132-I135 PolarHBondContact O-N 3.42Å; V133-I135 VanDerWaalsContact C-N 3.34Å; V133-I135 PolarHBondContact O-N 3.38Å; I135-N137 VanDerWaalsContact C-N 3.31Å; I135-N137 PolarHBondContact O-N 2.99Å; I135-L138 PolarHBondContact O-N 2.96Å; I135-L139 HydrophobicContact CG2-CD1 3.85Å; I135-L139 HydrophobicContact CG2-CG 4.26Å; I135-L139 VanDerWaalsContact O-CG 3.29Å; I135-L139 WeakPolarHBondContact O-CG 3.4Å; I135-L139 PolarHBondContact O-N 2.9Å; I135-F179 HydrophobicContact CD1-CE2 3.86Å; I135-F179 HydrophobicContact CD1-CZ 4.41Å; I135-M182 HydrophobicContact CG2-CE 4.29Å; I135-I235 HydrophobicContact CG2-CD1 3.48Å; I135-I235 VanDerWaalsContact CG2-CD1 3.48Å; I135-I242 HydrophobicContact CG1-CG2 4.18Å; I135-V244 HydrophobicContact CD1-CG2 3.61Å; I135-L254 HydrophobicContact CD1-CD2 3.78Å; I135-L254 HydrophobicContact CG1-CD1 3.96Å; I135-L254 HydrophobicContact CG1-CD2 3.79Å
136R98.6Very high98.5Very high64 Ų6443.9 Ų43.924%0.24223%0.229CC..Hα-helixtrans-59.1-41.8179.5-69.2-167.4-61.3-82.15.4112.2R127 S132 V133 Q134 L138 L139 A140 M182R127-R136 PolarHBondContact O-NH1 2.87Å; R127-R136 PolarHBondContact O-NH2 2.97Å; S132-R136 PolarHBondContact O-N 2.92Å; S132-R136 VanDerWaalsContact O-N 3.13Å; S132-R136 PolarHBondContact O-NH1 2.97Å; V133-R136 PolarHBondContact O-N 3.22Å; Q134-R136 PolarHBondContact O-N 3.42Å; R136-L138 PolarHBondContact O-N 3.18Å; R136-L139 PolarHBondContact O-N 3.11Å; R136-A140 WeakPolarHBondContact O-CB 3.38Å; R136-A140 PolarHBondContact O-N 2.83Å; R136-M182 HydrophobicContact CG-CG 4.08Å; R136-M182 HydrophobicContact CG-SD 4.1Å; R136-M182 PolarHBondContact NH1-SD 2.88Å
137N98.6Very high98.4Very high73 Ų7344.8 Ų44.839%0.3923%0.234SC..Hα-helixtrans-60-45.6176.4-69-18.6000112.1V133 Q134 I135 A140 Q141V133-N137 PolarHBondContact O-N 2.83Å; Q134-N137 PolarHBondContact O-N 3.22Å; I135-N137 VanDerWaalsContact C-N 3.31Å; I135-N137 PolarHBondContact O-N 2.99Å; N137-A140 PolarHBondContact O-N 2.94Å; N137-Q141 WeakPolarHBondContact O-CB 3.48Å; N137-Q141 VanDerWaalsContact O-CG 3.23Å; N137-Q141 WeakPolarHBondContact O-CG 3.21Å; N137-Q141 PolarHBondContact O-N 2.83Å
138L98.6Very high98.4Very high11 Ų1148.3 Ų48.36%0.05825%0.249CC..Hα-helixtrans-66.3-37.3179.1-69.7168.8000112.4Q134 I135 R136 Q141 E142 Y143 I242 V256Q134-L138 HydrophobicContact CG-CD1 4.02Å; Q134-L138 HydrophobicContact CG-CG 4.28Å; Q134-L138 VanDerWaalsContact O-CG 3.28Å; Q134-L138 WeakPolarHBondContact O-CG 3.2Å; Q134-L138 PolarHBondContact O-N 3.13Å; I135-L138 PolarHBondContact O-N 2.96Å; R136-L138 PolarHBondContact O-N 3.18Å; L138-Q141 PolarHBondContact O-N 2.95Å; L138-E142 PolarHBondContact O-N 2.99Å; L138-Y143 HydrophobicContact CD2-CD1 4.04Å; L138-Y143 HydrophobicContact CD2-CD2 4.13Å; L138-Y143 HydrophobicContact CD2-CG 3.76Å; L138-Y143 VanDerWaalsContact O-CB 3.32Å; L138-Y143 WeakPolarHBondContact O-CB 3.45Å; L138-Y143 PolarHBondContact O-N 2.64Å; L138-I242 HydrophobicContact CB-CD1 3.98Å; L138-I242 HydrophobicContact CD1-CD1 3.99Å; L138-I242 HydrophobicContact CD1-CG1 4.41Å; L138-V256 HydrophobicContact CD1-CG1 4.26Å; L138-V256 HydrophobicContact CD1-CG2 3.73Å
139L98.4Very high98.4Very high35 Ų3550.8 Ų50.818%0.18326%0.262CS..Hα-helixtrans-67.8-44175.9-65.9178.9000111.4I135 R136 Q141 E142 I144 V147 V183 I235 I242I135-L139 HydrophobicContact CG2-CD1 3.85Å; I135-L139 HydrophobicContact CG2-CG 4.26Å; I135-L139 VanDerWaalsContact O-CG 3.29Å; I135-L139 WeakPolarHBondContact O-CG 3.4Å; I135-L139 PolarHBondContact O-N 2.9Å; R136-L139 PolarHBondContact O-N 3.11Å; L139-Q141 PolarHBondContact O-N 3.05Å; L139-E142 PolarHBondContact O-N 3.3Å; L139-I144 HydrophobicContact CD2-CD1 3.91Å; L139-I144 HydrophobicContact CD2-CG1 4.19Å; L139-V147 HydrophobicContact CD2-CG2 3.61Å; L139-V183 HydrophobicContact CD1-CB 4.33Å; L139-V183 HydrophobicContact CD1-CG1 3.98Å; L139-V183 HydrophobicContact CD1-CG2 4.32Å; L139-I235 HydrophobicContact CD2-CG2 4.29Å; L139-I242 HydrophobicContact CD2-CD1 4.36Å
140A98.1Very high98.4Very high86 Ų8650.8 Ų50.871%0.71126%0.262SS*.Hα-helixtrans-63.2-29.9176.600000113R136 N137 E142R136-A140 WeakPolarHBondContact O-CB 3.38Å; R136-A140 PolarHBondContact O-N 2.83Å; N137-A140 PolarHBondContact O-N 2.94Å; A140-E142 VanDerWaalsContact C-N 3.28Å
141Q98.2Very high98.4Very high133 Ų13351.8 Ų51.862%0.62126%0.26SS*.THydrogen-bonded Turntrans-84.42.9175-68.3170.713.600113.5N137 L138 L139 Y143N137-Q141 WeakPolarHBondContact O-CB 3.48Å; N137-Q141 VanDerWaalsContact O-CG 3.23Å; N137-Q141 WeakPolarHBondContact O-CG 3.21Å; N137-Q141 PolarHBondContact O-N 2.83Å; L138-Q141 PolarHBondContact O-N 2.95Å; L139-Q141 PolarHBondContact O-N 3.05Å; Q141-Y143 PolarHBondContact O-N 3.27Å; Q141-Y143 VanDerWaalsContact O-N 3.11Å
142E97.9Very high98.4Very high123 Ų12351.8 Ų51.858%0.57526%0.26SS*.THydrogen-bonded Turntrans51.732.6-174.3-55.9-173.916000113.3L138 L139 A140 I144 G145L138-E142 PolarHBondContact O-N 2.99Å; L139-E142 PolarHBondContact O-N 3.3Å; A140-E142 VanDerWaalsContact C-N 3.28Å; E142-I144 VanDerWaalsContact C-N 3.26Å; E142-I144 PolarHBondContact O-N 3.25Å; E142-G145 WeakPolarHBondContact O-CA 3.46Å; E142-G145 PolarHBondContact O-N 2.99Å
143Y98.3Very high98.3Very high120 Ų12052.5 Ų52.547%0.47126%0.264SS..THydrogen-bonded Turntrans-61.2-34.9-171.7-173.3-90.9000112.5L138 Q141 V256L138-Y143 HydrophobicContact CD2-CD1 4.04Å; L138-Y143 HydrophobicContact CD2-CD2 4.13Å; L138-Y143 HydrophobicContact CD2-CG 3.76Å; L138-Y143 VanDerWaalsContact O-CB 3.32Å; L138-Y143 WeakPolarHBondContact O-CB 3.45Å; L138-Y143 PolarHBondContact O-N 2.64Å; Q141-Y143 PolarHBondContact O-N 3.27Å; Q141-Y143 VanDerWaalsContact O-N 3.11Å; Y143-V256 HydrophobicContact CD1-CG1 3.94Å; Y143-V256 HydrophobicContact CE1-CG1 3.59Å
144I98.4Very high98.2Very high1 Ų150.1 Ų50.11%0.00525%0.249CC..THydrogen-bonded Turntrans-99.112.9173.862.5170.2000113.1L139 E142 V147 I235 G237 T238 K239 I242L139-I144 HydrophobicContact CD2-CD1 3.91Å; L139-I144 HydrophobicContact CD2-CG1 4.19Å; E142-I144 VanDerWaalsContact C-N 3.26Å; E142-I144 PolarHBondContact O-N 3.25Å; I144-V147 HydrophobicContact CD1-CG2 4.34Å; I144-I235 HydrophobicContact CD1-CB 4.37Å; I144-I235 HydrophobicContact CD1-CG2 3.72Å; I144-G237 CarbonylContact O-C 3.48Å; I144-G237 VanDerWaalsContact O-CA 3.27Å; I144-G237 WeakPolarHBondContact O-CA 3.43Å; I144-T238 PolarHBondContact O-N 2.95Å; I144-K239 PolarHBondContact O-N 2.93Å; I144-I242 HydrophobicContact CD1-CD1 4.13Å; I144-I242 HydrophobicContact CD1-CG1 4.27Å; I144-I242 HydrophobicContact CG2-CD1 4.43Å; I144-I242 HydrophobicContact CG2-CG1 4.02Å
145G98.1Very high98.1Very high9 Ų947.3 Ų47.39%0.09324%0.236CC..  trans65.6-155.5-171.800000112.5E142 V147E142-G145 WeakPolarHBondContact O-CA 3.46Å; E142-G145 PolarHBondContact O-N 2.99Å; G145-V147 PolarHBondContact O-N 3.49Å
146D97.8Very high97.8Very high91 Ų9148.2 Ų48.249%0.48724%0.241SC..SBendtrans-61.5122.9176-66.9-13.3000110.6K148 G237 T238D146-K148 HydrophobicContact CB-CD 4.4Å; D146-K148 PolarHBondContact O-N 3.15Å; D146-K148 IonicContact OD2-NZ 2.98Å; D146-K148 PolarHBondContact OD2-NZ 2.81Å; D146-G237 CarbonylContact O-C 3.5Å; D146-G237 WeakPolarHBondContact O-CA 3.33Å; D146-T238 HydrophobicContact CB-CG2 4.04Å; D146-T238 PolarHBondContact N-OG1 2.97Å; D146-T238 PolarHBondContact O-N 3.43Å
147V98.4Very high97.3Very high19 Ų1949.7 Ų49.712%0.11526%0.26CS..EExtended strand (participates in β ladder)trans-62.6130.1167.9-175.90000109L139 I144 G145 V150 V183 Y184 R217 I235L139-V147 HydrophobicContact CD2-CG2 3.61Å; I144-V147 HydrophobicContact CD1-CG2 4.34Å; G145-V147 PolarHBondContact O-N 3.49Å; V147-V150 HydrophobicContact CG1-CG2 4.09Å; V147-V183 HydrophobicContact CG1-CG1 4.18Å; V147-Y184 HydrophobicContact CB-CE1 4.15Å; V147-Y184 HydrophobicContact CG1-CD1 4.49Å; V147-Y184 HydrophobicContact CG1-CE1 3.59Å; V147-R217 WeakPolarHBondContact O-CD 3.27Å; V147-R217 WeakPolarHBondContact O-CG 3.44Å; V147-I235 HydrophobicContact CG1-CG2 3.72Å; V147-I235 HydrophobicContact CG2-CG2 4.06Å
148K98.3Very high96.7Very high79 Ų7951 Ų5134%0.34326%0.259SS..EExtended strand (participates in β ladder)trans-114.6-34.1177.5-61.2-57177.7-163.50112.9D146 M218 V236 T238D146-K148 HydrophobicContact CB-CD 4.4Å; D146-K148 PolarHBondContact O-N 3.15Å; D146-K148 IonicContact OD2-NZ 2.98Å; D146-K148 PolarHBondContact OD2-NZ 2.81Å; K148-M218 PolarHBondContact O-N 2.74Å; K148-V236 PolarHBondContact N-O 3.23Å; K148-T238 HydrophobicContact CD-CG2 4.35Å; K148-T238 HydrophobicContact CG-CG2 4.03Å
149M98.4Very high95.7Very high66 Ų6653.5 Ų53.533%0.32528%0.278SS..EExtended strand (participates in β ladder)trans-144.7140.2-176.4-177.8173.4166.800112R151 M218 M220 V236M149-R151 HydrophobicContact CE-CB 4.49Å; M149-M218 VanDerWaalsContact CA-O 3.27Å; M149-M218 WeakPolarHBondContact CA-O 3.19Å; M149-M220 HydrophobicContact CE-CE 3.38Å; M149-M220 HydrophobicContact CE-CG 4.14Å; M149-M220 HydrophobicContact CE-SD 3.52Å; M149-M220 VanDerWaalsContact CE-SD 3.52Å; M149-M220 HydrophobicContact SD-CE 4.44Å; M149-V236 HydrophobicContact CB-CB 4.28Å; M149-V236 PolarHBondContact N-O 2.73Å; M149-V236 PolarHBondContact O-N 2.93Å
150V98.8Very high94.8Very high0 Ų054.4 Ų54.40%028%0.283CS..EExtended strand (participates in β ladder)trans-123.2134.8168.4-172.80000109.3V147 F179 I180 V183 Y184 M218 A219 M220 I234 I235V147-V150 HydrophobicContact CG1-CG2 4.09Å; V150-F179 HydrophobicContact CG1-CD1 4Å; V150-F179 HydrophobicContact CG1-CE1 3.7Å; V150-I180 HydrophobicContact CB-CG1 4.37Å; V150-I180 HydrophobicContact CG1-CG1 3.84Å; V150-V183 HydrophobicContact CG2-CB 4.23Å; V150-V183 HydrophobicContact CG2-CG1 3.55Å; V150-Y184 HydrophobicContact CG2-CE1 4.22Å; V150-Y184 HydrophobicContact CG2-CE2 4Å; V150-M218 PolarHBondContact N-O 2.79Å; V150-M218 VanDerWaalsContact N-O 3.09Å; V150-A219 HydrophobicContact CB-CB 3.95Å; V150-A219 CarbonylContact O-C 3.57Å; V150-A219 WeakPolarHBondContact O-CA 3.41Å; V150-M220 PolarHBondContact O-N 3Å; V150-I234 CarbonylContact C-O 3.53Å; V150-I234 WeakPolarHBondContact CA-O 3.35Å; V150-I235 HydrophobicContact CG2-CG2 4.4Å
151R98.5Very high94.1Very high64 Ų6455.7 Ų55.724%0.24227%0.274CS..EExtended strand (participates in β ladder)trans-123.1137.1169.9-173.6-167.972.8134.5-8109.1M149 D153 M220 D232 A233 I234M149-R151 HydrophobicContact CE-CB 4.49Å; R151-D153 IonicContact CZ-OD2 2.8Å; R151-D153 VanDerWaalsContact CZ-OD2 3.32Å; R151-D153 IonicContact NE-OD2 3.49Å; R151-D153 IonicContact NH1-OD2 2.73Å; R151-D153 PolarHBondContact NH1-OD2 3.42Å; R151-M220 WeakPolarHBondContact CA-O 3.43Å; R151-M220 HydrophobicContact CB-CG 4.33Å; R151-M220 HydrophobicContact CG-CG 4.1Å; R151-D232 IonicContact CZ-OD1 3.46Å; R151-D232 IonicContact NH2-OD1 3.82Å; R151-D232 PolarHBondContact NH2-OD1 3.14Å; R151-D232 IonicContact NH2-OD2 3.67Å; R151-D232 PolarHBondContact NH2-OD2 2.8Å; R151-A233 CarbonylContact O-C 3.58Å; R151-A233 WeakPolarHBondContact O-CA 3.45Å; R151-A233 WeakPolarHBondContact O-CB 3Å; R151-I234 PolarHBondContact N-O 3.44Å; R151-I234 PolarHBondContact O-N 2.65Å
152A98.4Very high93.4Very high0 Ų052.4 Ų52.40%026%0.257CS..EExtended strand (participates in β ladder)trans-138.1141.716700000109.7C176 F179 M220 F221 T222 A233A152-C176 HydrophobicContact CB-CB 3.97Å; A152-F179 HydrophobicContact CB-CD1 4.36Å; A152-M220 PolarHBondContact N-O 2.89Å; A152-M220 VanDerWaalsContact N-O 3.14Å; A152-F221 HydrophobicContact CB-CB 4.33Å; A152-F221 WeakPolarHBondContact O-CA 2.99Å; A152-F221 WeakPolarHBondContact O-CB 3.47Å; A152-T222 PolarHBondContact O-N 3.33Å; A152-A233 HydrophobicContact CB-CB 3.99Å
153D96.4Very high92.7Very high15 Ų1553.4 Ų53.48%0.0827%0.267CS..EExtended strand (participates in β ladder)trans-128.8139.7173.6-66.3-50.1000109.5R151 T222 L229 N231 D232R151-D153 IonicContact CZ-OD2 2.8Å; R151-D153 VanDerWaalsContact CZ-OD2 3.32Å; R151-D153 IonicContact NE-OD2 3.49Å; R151-D153 IonicContact NH1-OD2 2.73Å; R151-D153 PolarHBondContact NH1-OD2 3.42Å; D153-T222 WeakPolarHBondContact CA-O 3.4Å; D153-T222 WeakPolarHBondContact OD1-CB 3.37Å; D153-T222 PolarHBondContact OD1-N 3.06Å; D153-T222 PolarHBondContact OD1-OG1 3.11Å; D153-L229 HydrophobicContact CB-CD1 4.37Å; D153-N231 CarbonylContact O-C 3.59Å; D153-N231 VanDerWaalsContact O-CA 3.22Å; D153-N231 WeakPolarHBondContact O-CA 3.48Å; D153-D232 PolarHBondContact N-O 2.98Å
154Y97.2Very high91.9Very high4 Ų451.4 Ų51.42%0.01626%0.264CS..EExtended strand (participates in β ladder)trans-145.7107.7172.3-165.5179.3000112.2V156 L172 F175 T222 C223 F224 N231 M248 W249Y154-V156 HydrophobicContact CD2-CG2 4.43Å; Y154-V156 HydrophobicContact CE2-CB 4.41Å; Y154-V156 HydrophobicContact CE2-CG1 3.83Å; Y154-V156 HydrophobicContact CE2-CG2 3.69Å; Y154-L172 HydrophobicContact CD1-CB 3.9Å; Y154-L172 HydrophobicContact CD1-CD2 4.1Å; Y154-L172 HydrophobicContact CD2-CD2 4.29Å; Y154-L172 HydrophobicContact CE1-CB 4.42Å; Y154-L172 HydrophobicContact CE1-CD2 3.8Å; Y154-L172 HydrophobicContact CE2-CD2 3.99Å; Y154-L172 HydrophobicContact CG-CB 4.02Å; Y154-L172 HydrophobicContact CG-CD2 4.34Å; Y154-F175 HydrophobicContact CD1-CB 3.99Å; Y154-F175 AromaticContact CD1-CD2 3.74Å; Y154-F175 HydrophobicContact CD1-CD2 3.74Å; Y154-F175 HydrophobicContact CD1-CG 4.16Å; Y154-F175 HydrophobicContact CE1-CB 4.38Å; Y154-F175 AromaticContact CE1-CD2 3.4Å; Y154-F175 HydrophobicContact CE1-CD2 3.4Å; Y154-F175 VanDerWaalsContact CE1-CD2 3.4Å; Y154-F175 AromaticContact CE1-CE2 3.84Å; Y154-F175 HydrophobicContact CE1-CE2 3.84Å; Y154-F175 HydrophobicContact CE1-CG 4.06Å; Y154-T222 PolarHBondContact N-O 2.84Å; Y154-C223 WeakPolarHBondContact O-CA 3.44Å; Y154-C223 WeakPolarHBondContact O-CB 3.34Å; Y154-F224 PolarHBondContact O-N 3.37Å; Y154-F224 VanDerWaalsContact O-N 3.11Å; Y154-N231 WeakPolarHBondContact CA-OD1 3.44Å; Y154-M248 HydrophobicContact CD1-CE 3.9Å; Y154-M248 HydrophobicContact CG-CE 4.06Å; Y154-W249 HydrophobicContact CD1-CB 4.49Å; Y154-W249 HydrophobicContact CD1-CD2 4.36Å; Y154-W249 AromaticContact CD1-CE3 3.88Å; Y154-W249 HydrophobicContact CD1-CE3 3.88Å; Y154-W249 HydrophobicContact CD1-CZ3 4.5Å; Y154-W249 AromaticContact CD2-CE3 3.7Å; Y154-W249 HydrophobicContact CD2-CE3 3.7Å; Y154-W249 HydrophobicContact CD2-CH2 4.29Å; Y154-W249 AromaticContact CD2-CZ3 3.48Å; Y154-W249 HydrophobicContact CD2-CZ3 3.48Å; Y154-W249 VanDerWaalsContact CD2-CZ3 3.48Å; Y154-W249 HydrophobicContact CE1-CB 4Å; Y154-W249 AromaticContact CE1-CD2 3.58Å; Y154-W249 HydrophobicContact CE1-CD2 3.58Å; Y154-W249 AromaticContact CE1-CE3 3.5Å; Y154-W249 HydrophobicContact CE1-CE3 3.5Å; Y154-W249 VanDerWaalsContact CE1-CE3 3.5Å; Y154-W249 AromaticContact CE1-CG 3.79Å; Y154-W249 HydrophobicContact CE1-CG 3.79Å; Y154-W249 HydrophobicContact CE1-CZ3 4.15Å; Y154-W249 AromaticContact CE2-CD2 3.91Å; Y154-W249 HydrophobicContact CE2-CD2 3.91Å; Y154-W249 AromaticContact CE2-CE3 3.32Å; Y154-W249 HydrophobicContact CE2-CE3 3.32Å; Y154-W249 AromaticContact CE2-CH2 3.49Å; Y154-W249 HydrophobicContact CE2-CH2 3.49Å; Y154-W249 VanDerWaalsContact CE2-CH2 3.49Å; Y154-W249 HydrophobicContact CE2-CZ2 4.06Å; Y154-W249 AromaticContact CE2-CZ3 3.05Å; Y154-W249 HydrophobicContact CE2-CZ3 3.05Å; Y154-W249 AromaticContact CG-CE3 3.99Å; Y154-W249 HydrophobicContact CG-CE3 3.99Å; Y154-W249 HydrophobicContact CG-CZ3 4.22Å; Y154-W249 AromaticContact CZ-CD2 3.32Å; Y154-W249 AromaticContact CZ-CE2 3.68Å; Y154-W249 AromaticContact CZ-CE3 3.21Å; Y154-W249 AromaticContact CZ-CG 3.96Å; Y154-W249 AromaticContact CZ-CH2 3.83Å; Y154-W249 AromaticContact CZ-CZ2 3.94Å; Y154-W249 AromaticContact CZ-CZ3 3.44Å; Y154-W249 VanDerWaalsContact CZ-CZ3 3.44Å; Y154-W249 VanDerWaalsContact OH-CD2 3.28Å; Y154-W249 WeakPolarHBondContact OH-CZ2 3.22Å
155G96.3Very high90.9Very high0 Ų051.3 Ų51.30%026%0.264CS..EExtended strand (participates in β ladder)trans-132.8135.4168.200000112.6F224 V227 Q228 L229 N231G155-F224 CarbonylContact C-O 3.55Å; G155-F224 WeakPolarHBondContact CA-O 3.36Å; G155-V227 CarbonylContact C-O 3.57Å; G155-V227 WeakPolarHBondContact CA-O 3.22Å; G155-Q228 WeakPolarHBondContact O-CA 3.29Å; G155-L229 PolarHBondContact O-N 3.37Å; G155-N231 PolarHBondContact N-OD1 3.46Å; G155-N231 PolarHBondContact O-ND2 3.2Å; G155-N231 VanDerWaalsContact O-ND2 3.07Å; G155-N231 PolarHBondContact O-OD1 3.4Å
156V92.5Very high90Very high19 Ų1951.2 Ų51.212%0.11526%0.263CS..  trans-153.5148.5173.2-74.40000108.1Y154 R158 L172 F224 T225 V227Y154-V156 HydrophobicContact CD2-CG2 4.43Å; Y154-V156 HydrophobicContact CE2-CB 4.41Å; Y154-V156 HydrophobicContact CE2-CG1 3.83Å; Y154-V156 HydrophobicContact CE2-CG2 3.69Å; V156-R158 HydrophobicContact CG2-CG 4.04Å; V156-R158 PolarHBondContact O-N 3.37Å; V156-L172 HydrophobicContact CG2-CD1 4.07Å; V156-L172 HydrophobicContact CG2-CD2 3.63Å; V156-F224 PolarHBondContact N-O 3.06Å; V156-F224 VanDerWaalsContact N-O 3.07Å; V156-T225 CarbonylContact O-C 3.56Å; V156-T225 VanDerWaalsContact O-CA 3.28Å; V156-T225 WeakPolarHBondContact O-CA 3.22Å; V156-V227 PolarHBondContact N-O 2.89Å
157P88.8Confident89.4Confident96 Ų9646.9 Ų46.962%0.62324%0.239SC*.  trans-50.6123.9168.4-29.337.8000112.5T225P157-T225 CarbonylContact C-O 3.57Å; P157-T225 WeakPolarHBondContact CA-O 3.32Å
158R84.6Confident89Confident99 Ų9946 Ų4637%0.37423%0.234SC..  trans-136.3170.1176.8-70.2-64.9-176.3166.30.6111.9V156 L172 T225V156-R158 HydrophobicContact CG2-CG 4.04Å; V156-R158 PolarHBondContact O-N 3.37Å; R158-L172 HydrophobicContact CG-CD1 4.48Å; R158-L172 HydrophobicContact CG-CD2 4.12Å; R158-T225 HydrophobicContact CB-CG2 3.85Å; R158-T225 HydrophobicContact CG-CG2 4.4Å; R158-T225 PolarHBondContact N-O 2.85Å
159S77.7Confident88.7Confident65 Ų6542.2 Ų42.246%0.45522%0.218SC..  trans-74.6139.2174.3-173.80000110.3Q161S159-Q161 VanDerWaalsContact C-N 3.35Å; S159-Q161 WeakPolarHBondContact OG-CG 3.32Å; S159-Q161 PolarHBondContact OG-N 3.17Å
160D80.4Confident88.3Confident53 Ų5339.2 Ų39.228%0.28320%0.203SC..  trans-98.522.2177.6-59.8-42.2000112.2K162 L199 V203 T225D160-K162 PolarHBondContact O-N 3.3Å; D160-K162 VanDerWaalsContact O-N 3.14Å; D160-L199 HydrophobicContact CB-CD1 3.58Å; D160-L199 VanDerWaalsContact OD2-CD1 3.24Å; D160-L199 WeakPolarHBondContact OD2-CD1 3.42Å; D160-V203 HydrophobicContact CB-CG2 4.12Å; D160-T225 PolarHBondContact OD1-OG1 2.91Å
161Q82.8Confident87.9Confident113 Ų11340.5 Ų40.553%0.52821%0.21SC..  trans-74.1102-178.3-74-177.110.200111.7S159 D163 L164 G166S159-Q161 VanDerWaalsContact C-N 3.35Å; S159-Q161 WeakPolarHBondContact OG-CG 3.32Å; S159-Q161 PolarHBondContact OG-N 3.17Å; Q161-D163 VanDerWaalsContact C-N 3.34Å; Q161-D163 PolarHBondContact O-N 3.04Å; Q161-L164 HydrophobicContact CB-CB 4.46Å; Q161-L164 HydrophobicContact CB-CD1 4.43Å; Q161-L164 HydrophobicContact CB-CG 4.37Å; Q161-L164 PolarHBondContact O-N 2.64Å; Q161-G166 PolarHBondContact O-N 2.93Å; Q161-G166 VanDerWaalsContact O-N 3.1Å
162K83.3Confident87.8Confident64 Ų6437.5 Ų37.528%0.27820%0.198SC..G310 helixtrans-56.7-43.1179.9-171.8167.2177.3167.70113.6D160 L164 G165 T201 G202 V203 V323 Y324D160-K162 PolarHBondContact O-N 3.3Å; D160-K162 VanDerWaalsContact O-N 3.14Å; K162-L164 PolarHBondContact O-N 3.31Å; K162-L164 VanDerWaalsContact O-N 3.14Å; K162-G165 PolarHBondContact O-N 3.02Å; K162-T201 VanDerWaalsContact CD-O 3.24Å; K162-T201 WeakPolarHBondContact CD-O 3.46Å; K162-G202 PolarHBondContact NZ-O 3.01Å; K162-V203 HydrophobicContact CB-CG1 3.6Å; K162-V203 HydrophobicContact CD-CG1 4.26Å; K162-V203 HydrophobicContact CG-CG1 3.79Å; K162-V323 WeakPolarHBondContact CE-O 3.5Å; K162-V323 PolarHBondContact NZ-O 3.29Å; K162-Y324 HydrophobicContact CG-CD1 3.95Å; K162-Y324 HydrophobicContact CG-CE1 3.94Å
163D82.6Confident87.7Confident144 Ų14437.5 Ų37.577%0.7720%0.198SC*.G310 helixtrans-67.8-13.9-175.9-64.3-22.5000113.7P77 Q161P77-D163 WeakPolarHBondContact CG-O 3.37Å; Q161-D163 VanDerWaalsContact C-N 3.34Å; Q161-D163 PolarHBondContact O-N 3.04Å
164L83.2Confident87.6Confident78 Ų7837.1 Ų37.141%0.40820%0.196SC..G310 helixtrans-99.48.6172.9-60-173.2000112.7V75 P77 Q161 K162 G166V75-L164 HydrophobicContact CG2-CD2 4.42Å; P77-L164 WeakPolarHBondContact CD-O 3.3Å; Q161-L164 HydrophobicContact CB-CB 4.46Å; Q161-L164 HydrophobicContact CB-CD1 4.43Å; Q161-L164 HydrophobicContact CB-CG 4.37Å; Q161-L164 PolarHBondContact O-N 2.64Å; K162-L164 PolarHBondContact O-N 3.31Å; K162-L164 VanDerWaalsContact O-N 3.14Å; L164-G166 VanDerWaalsContact C-N 3.34Å
165G75.6Confident87.7Confident0 Ų037.6 Ų37.60%020%0.198CC..THydrogen-bonded Turntrans70.928.8-174.600000113.4H76 K162H76-G165 PolarHBondContact ND1-O 3.33Å; K162-G165 PolarHBondContact O-N 3.02Å
166G80.3Confident87.8Confident7 Ų737.6 Ų37.67%0.07220%0.198CC..  trans-70.7165.6175.100000112.8Q161 L164 V203 Y324Q161-G166 PolarHBondContact O-N 2.93Å; Q161-G166 VanDerWaalsContact O-N 3.1Å; L164-G166 VanDerWaalsContact C-N 3.34Å; G166-V203 WeakPolarHBondContact O-CG1 3.12Å; G166-Y324 PolarHBondContact O-OH 3.35Å
167G85.8Confident88Confident0 Ų036.7 Ų36.70%019%0.193CC..SBendtrans130.9153.8179.200000111.4L169 D171G167-L169 PolarHBondContact O-N 3.35Å; G167-D171 PolarHBondContact N-OD2 2.84Å; G167-D171 VanDerWaalsContact O-CB 3.31Å; G167-D171 WeakPolarHBondContact O-CB 3.36Å; G167-D171 PolarHBondContact O-N 3.17Å
168A89.1Confident88.4Confident0 Ų032.3 Ų32.30%016%0.164CC..Hα-helixtrans-60.6-24.4-169.800000113.9L172 G173 N204 K205 C223 T225A168-L172 CarbonylContact O-C 3.59Å; A168-L172 WeakPolarHBondContact O-CA 3.13Å; A168-L172 WeakPolarHBondContact O-CB 3.23Å; A168-L172 PolarHBondContact O-N 2.92Å; A168-L172 VanDerWaalsContact O-N 3.12Å; A168-G173 PolarHBondContact O-N 3.23Å; A168-N204 WeakPolarHBondContact CB-ND2 3.39Å; A168-N204 PolarHBondContact N-ND2 3.49Å; A168-N204 PolarHBondContact N-O 2.89Å; A168-K205 WeakPolarHBondContact CB-O 3.4Å; A168-C223 VanDerWaalsContact C-SG 3.55Å; A168-C223 HydrophobicContact CB-CB 4.34Å; A168-C223 PolarHBondContact O-SG 2.8Å; A168-T225 VanDerWaalsContact CA-CG2 3.44Å; A168-T225 HydrophobicContact CB-CG2 3.69Å
169L92.1Very high89.1Confident0 Ų027.7 Ų27.70%015%0.147CC..Iπ-helixtrans-78-61.1-176.8-171.762.2000110.8G167 D171 G173 I174 L177 N204 L207 F221 D313 I316 R317G167-L169 PolarHBondContact O-N 3.35Å; L169-D171 VanDerWaalsContact C-N 3.29Å; L169-D171 PolarHBondContact O-N 3.12Å; L169-G173 CarbonylContact O-C 3.56Å; L169-G173 VanDerWaalsContact O-CA 3.29Å; L169-G173 WeakPolarHBondContact O-CA 3.3Å; L169-G173 PolarHBondContact O-N 3.21Å; L169-I174 PolarHBondContact O-N 2.73Å; L169-L177 HydrophobicContact CD1-CD1 4.4Å; L169-N204 PolarHBondContact N-ND2 2.83Å; L169-L207 HydrophobicContact CB-CD1 3.7Å; L169-L207 HydrophobicContact CD1-CD1 3.89Å; L169-L207 HydrophobicContact CD2-CD1 4.34Å; L169-L207 HydrophobicContact CG-CD1 4.18Å; L169-F221 HydrophobicContact CD1-CE2 4.38Å; L169-F221 HydrophobicContact CD1-CZ 4.22Å; L169-D313 WeakPolarHBondContact CD1-OD1 3.5Å; L169-D313 HydrophobicContact CD2-CB 4.29Å; L169-D313 VanDerWaalsContact CG-OD1 3.27Å; L169-D313 WeakPolarHBondContact CG-OD1 3.38Å; L169-I316 HydrophobicContact CD1-CD1 4.34Å; L169-I316 HydrophobicContact CD1-CG2 4.04Å; L169-I316 HydrophobicContact CD2-CB 4.03Å; L169-I316 HydrophobicContact CD2-CG2 3.73Å; L169-R317 HydrophobicContact CD2-CG 3.42Å; L169-R317 VanDerWaalsContact CD2-CG 3.42Å
170L90.9Very high90.1Very high2 Ų224.6 Ų24.61%0.0113%0.125CC..Iπ-helixtrans-64-34.4-178.6-60.3-178.9000112K97 P98 M101 I174 Y324K97-L170 PolarHBondContact NZ-O 3.23Å; P98-L170 HydrophobicContact CG-CB 4.29Å; P98-L170 HydrophobicContact CG-CD2 4.11Å; M101-L170 HydrophobicContact CE-CD1 3.61Å; M101-L170 HydrophobicContact SD-CD1 4.2Å; L170-I174 WeakPolarHBondContact O-CG2 3.24Å; L170-Y324 HydrophobicContact CD1-CD2 4.32Å; L170-Y324 HydrophobicContact CD1-CE1 4.49Å; L170-Y324 HydrophobicContact CD1-CE2 3.55Å; L170-Y324 HydrophobicContact CG-CE2 4.36Å
171D90.4Very high90.9Very high28 Ų2822.1 Ų22.115%0.1511%0.112CC..Iπ-helixtrans-78.8-45.9179.7-72.6-34.8000113H76 K97 G167 L169H76-D171 IonicContact CE1-OD1 3.35Å; H76-D171 PolarHBondContact CE1-OD1 2.93Å; K97-D171 PolarHBondContact NZ-O 3.32Å; G167-D171 PolarHBondContact N-OD2 2.84Å; G167-D171 VanDerWaalsContact O-CB 3.31Å; G167-D171 WeakPolarHBondContact O-CB 3.36Å; G167-D171 PolarHBondContact O-N 3.17Å; L169-D171 VanDerWaalsContact C-N 3.29Å; L169-D171 PolarHBondContact O-N 3.12Å
172L94.5Very high91.6Very high0 Ų017.3 Ų17.30%09%0.09CC..Iπ-helixtrans-120.4-46.3-166.8-49.7179.8000112.6Y154 V156 R158 A168 I174 F175 C223 F224 T225Y154-L172 HydrophobicContact CD1-CB 3.9Å; Y154-L172 HydrophobicContact CD1-CD2 4.1Å; Y154-L172 HydrophobicContact CD2-CD2 4.29Å; Y154-L172 HydrophobicContact CE1-CB 4.42Å; Y154-L172 HydrophobicContact CE1-CD2 3.8Å; Y154-L172 HydrophobicContact CE2-CD2 3.99Å; Y154-L172 HydrophobicContact CG-CB 4.02Å; Y154-L172 HydrophobicContact CG-CD2 4.34Å; V156-L172 HydrophobicContact CG2-CD1 4.07Å; V156-L172 HydrophobicContact CG2-CD2 3.63Å; R158-L172 HydrophobicContact CG-CD1 4.48Å; R158-L172 HydrophobicContact CG-CD2 4.12Å; A168-L172 CarbonylContact O-C 3.59Å; A168-L172 WeakPolarHBondContact O-CA 3.13Å; A168-L172 WeakPolarHBondContact O-CB 3.23Å; A168-L172 PolarHBondContact O-N 2.92Å; A168-L172 VanDerWaalsContact O-N 3.12Å; L172-I174 VanDerWaalsContact C-N 3.28Å; L172-I174 PolarHBondContact O-N 2.92Å; L172-F175 WeakPolarHBondContact O-CB 3.38Å; L172-F175 PolarHBondContact O-N 2.96Å; L172-C223 HydrophobicContact CB-CB 4.06Å; L172-F224 WeakPolarHBondContact CD1-O 3.39Å; L172-T225 HydrophobicContact CD1-CG2 4.12Å
173G96.3Very high92.3Very high0 Ų014.9 Ų14.90%08%0.08CC..Iπ-helixtrans-61.3-32.2-176.900000113.7A168 L169 F175 C176 L177A168-G173 PolarHBondContact O-N 3.23Å; L169-G173 CarbonylContact O-C 3.56Å; L169-G173 VanDerWaalsContact O-CA 3.29Å; L169-G173 WeakPolarHBondContact O-CA 3.3Å; L169-G173 PolarHBondContact O-N 3.21Å; G173-F175 PolarHBondContact O-N 3.32Å; G173-C176 WeakPolarHBondContact O-CA 3.19Å; G173-C176 WeakPolarHBondContact O-CB 3.02Å; G173-C176 PolarHBondContact O-N 2.69Å; G173-L177 PolarHBondContact O-N 3.01Å
174I96.3Very high93.1Very high7 Ų78.3 Ų8.34%0.0364%0.044CC..Hα-helixtrans-55.7-32.5173.1-17260.6000112.5K97 P98 L169 L170 L172 L177 Q178 L309K97-I174 HydrophobicContact CD-CG2 3.72Å; K97-I174 VanDerWaalsContact NZ-CG2 3.34Å; P98-I174 HydrophobicContact CB-CG1 4.37Å; L169-I174 PolarHBondContact O-N 2.73Å; L170-I174 WeakPolarHBondContact O-CG2 3.24Å; L172-I174 VanDerWaalsContact C-N 3.28Å; L172-I174 PolarHBondContact O-N 2.92Å; I174-L177 PolarHBondContact O-N 2.9Å; I174-Q178 WeakPolarHBondContact O-CB 3.14Å; I174-Q178 WeakPolarHBondContact O-CG 3.05Å; I174-Q178 PolarHBondContact O-N 2.85Å; I174-L309 HydrophobicContact CD1-CB 4.27Å
175F97.9Very high93.7Very high14 Ų1411.6 Ų11.66%0.0616%0.063CC..Hα-helixtrans-68.9-38173.9-71.3-71.3000112.6K97 W125 T126 Y154 L172 G173 Q178 F179 M248 W249K97-F175 HydrophobicContact CD-CZ 4.42Å; W125-F175 AromaticContact CD1-CE1 3.77Å; W125-F175 AromaticContact NE1-CE1 3.16Å; W125-F175 AromaticContact NE1-CZ 3.47Å; T126-F175 WeakPolarHBondContact OG1-CD1 3.48Å; Y154-F175 HydrophobicContact CD1-CB 3.99Å; Y154-F175 AromaticContact CD1-CD2 3.74Å; Y154-F175 HydrophobicContact CD1-CD2 3.74Å; Y154-F175 HydrophobicContact CD1-CG 4.16Å; Y154-F175 HydrophobicContact CE1-CB 4.38Å; Y154-F175 AromaticContact CE1-CD2 3.4Å; Y154-F175 HydrophobicContact CE1-CD2 3.4Å; Y154-F175 VanDerWaalsContact CE1-CD2 3.4Å; Y154-F175 AromaticContact CE1-CE2 3.84Å; Y154-F175 HydrophobicContact CE1-CE2 3.84Å; Y154-F175 HydrophobicContact CE1-CG 4.06Å; L172-F175 WeakPolarHBondContact O-CB 3.38Å; L172-F175 PolarHBondContact O-N 2.96Å; G173-F175 PolarHBondContact O-N 3.32Å; F175-Q178 WeakPolarHBondContact O-CG 3.46Å; F175-Q178 PolarHBondContact O-NE2 3.34Å; F175-F179 WeakPolarHBondContact O-CB 3.32Å; F175-F179 PolarHBondContact O-N 2.89Å; F175-M248 HydrophobicContact CB-CE 3.8Å; F175-W249 HydrophobicContact CB-CB 4.12Å; F175-W249 HydrophobicContact CD1-CB 3.51Å; F175-W249 HydrophobicContact CD2-CB 4.23Å; F175-W249 HydrophobicContact CE1-CB 3.86Å; F175-W249 HydrophobicContact CE2-CB 4.48Å; F175-W249 HydrophobicContact CG-CB 3.7Å; F175-W249 HydrophobicContact CZ-CB 4.3Å
176C98.3Very high94.7Very high0 Ų012.5 Ų12.50%07%0.072CC..Hα-helixtrans-67.7-44.7174.9-590000110.5A152 G173 F179 I180 F221 M248A152-C176 HydrophobicContact CB-CB 3.97Å; G173-C176 WeakPolarHBondContact O-CA 3.19Å; G173-C176 WeakPolarHBondContact O-CB 3.02Å; G173-C176 PolarHBondContact O-N 2.69Å; C176-F179 PolarHBondContact O-N 3.13Å; C176-I180 WeakPolarHBondContact O-CD1 3.41Å; C176-I180 VanDerWaalsContact O-CG1 3.29Å; C176-I180 WeakPolarHBondContact O-CG1 3.26Å; C176-I180 PolarHBondContact O-N 3.19Å; C176-F221 HydrophobicContact CB-CB 3.51Å; C176-F221 HydrophobicContact CB-CD1 4.1Å; C176-F221 HydrophobicContact CB-CD2 3.55Å; C176-F221 HydrophobicContact CB-CE2 4.24Å; C176-F221 HydrophobicContact CB-CG 3.45Å; C176-F221 VanDerWaalsContact CB-CG 3.45Å; C176-M248 VanDerWaalsContact SG-CE 3.53Å
177L97.6Very high95.6Very high0 Ų014.5 Ų14.50%08%0.079CC..Hα-helixtrans-63-48.8179.1-75.3177.3000112.6L169 G173 I174 F179 I180 S181 L211 F221 L309 M312 D313 I316L169-L177 HydrophobicContact CD1-CD1 4.4Å; G173-L177 PolarHBondContact O-N 3.01Å; I174-L177 PolarHBondContact O-N 2.9Å; L177-F179 PolarHBondContact O-N 2.75Å; L177-I180 PolarHBondContact O-N 3.32Å; L177-S181 VanDerWaalsContact O-CB 3.24Å; L177-S181 WeakPolarHBondContact O-CB 3.31Å; L177-S181 PolarHBondContact O-N 2.8Å; L177-L211 HydrophobicContact CD2-CD1 4.15Å; L177-F221 HydrophobicContact CD1-CZ 4.43Å; L177-F221 HydrophobicContact CD2-CD1 4.35Å; L177-F221 HydrophobicContact CD2-CE1 3.43Å; L177-F221 VanDerWaalsContact CD2-CE1 3.43Å; L177-F221 HydrophobicContact CD2-CZ 3.92Å; L177-F221 HydrophobicContact CG-CE1 3.82Å; L177-F221 HydrophobicContact CG-CZ 3.86Å; L177-L309 HydrophobicContact CB-CD2 3.84Å; L177-M312 HydrophobicContact CD2-CE 3.54Å; L177-D313 WeakPolarHBondContact CD1-OD1 3.26Å; L177-I316 HydrophobicContact CD1-CD1 4.03Å; L177-I316 HydrophobicContact CD2-CD1 4.09Å
178Q96.9Very high96.1Very high5 Ų520.7 Ų20.72%0.02311%0.106CC..Hα-helixtrans-61.8-34.1178.168.976.845.200112R127 I174 F175 M182 L309R127-Q178 PolarHBondContact NH2-O 2.94Å; I174-Q178 WeakPolarHBondContact O-CB 3.14Å; I174-Q178 WeakPolarHBondContact O-CG 3.05Å; I174-Q178 PolarHBondContact O-N 2.85Å; F175-Q178 WeakPolarHBondContact O-CG 3.46Å; F175-Q178 PolarHBondContact O-NE2 3.34Å; Q178-M182 VanDerWaalsContact O-CB 3.28Å; Q178-M182 WeakPolarHBondContact O-CB 3.42Å; Q178-M182 PolarHBondContact O-N 3.41Å; Q178-L309 HydrophobicContact CB-CD1 4.04Å; Q178-L309 HydrophobicContact CB-CD2 4.41Å
179F98.5Very high96.6Very high2 Ų221.3 Ų21.31%0.00911%0.11CC..Hα-helixtrans-68.7-48.5178.3178.2-99.4000110.5I135 V150 A152 F175 C176 L177 M182 V183 A233 I235 V244I135-F179 HydrophobicContact CD1-CE2 3.86Å; I135-F179 HydrophobicContact CD1-CZ 4.41Å; V150-F179 HydrophobicContact CG1-CD1 4Å; V150-F179 HydrophobicContact CG1-CE1 3.7Å; A152-F179 HydrophobicContact CB-CD1 4.36Å; F175-F179 WeakPolarHBondContact O-CB 3.32Å; F175-F179 PolarHBondContact O-N 2.89Å; C176-F179 PolarHBondContact O-N 3.13Å; L177-F179 PolarHBondContact O-N 2.75Å; F179-M182 HydrophobicContact CD2-CE 4.03Å; F179-M182 HydrophobicContact CE2-CE 4.18Å; F179-M182 WeakPolarHBondContact O-CB 3.47Å; F179-M182 PolarHBondContact O-N 2.87Å; F179-V183 HydrophobicContact CD1-CG2 4.41Å; F179-V183 HydrophobicContact CE1-CG2 4.06Å; F179-V183 HydrophobicContact CE2-CG2 4.4Å; F179-V183 HydrophobicContact CZ-CG2 4.06Å; F179-V183 WeakPolarHBondContact O-CG2 3.41Å; F179-V183 PolarHBondContact O-N 3.07Å; F179-A233 HydrophobicContact CD1-CB 3.99Å; F179-A233 HydrophobicContact CE1-CB 3.5Å; F179-A233 HydrophobicContact CE2-CB 4.39Å; F179-A233 HydrophobicContact CZ-CB 3.73Å; F179-I235 HydrophobicContact CE1-CD1 4.45Å; F179-I235 HydrophobicContact CE1-CG1 4.07Å; F179-I235 HydrophobicContact CZ-CD1 3.83Å; F179-I235 HydrophobicContact CZ-CG1 3.85Å; F179-V244 HydrophobicContact CE2-CG2 3.96Å; F179-V244 HydrophobicContact CZ-CG2 3.89Å
180I98.6Very high96.9Very high0 Ų028 Ų280%014%0.141CC..Hα-helixtrans-62.3-46.8177.9-68.8161.9000110.6V150 C176 L177 M182 V183 Y184 L211 Y213 A219 F221V150-I180 HydrophobicContact CB-CG1 4.37Å; V150-I180 HydrophobicContact CG1-CG1 3.84Å; C176-I180 WeakPolarHBondContact O-CD1 3.41Å; C176-I180 VanDerWaalsContact O-CG1 3.29Å; C176-I180 WeakPolarHBondContact O-CG1 3.26Å; C176-I180 PolarHBondContact O-N 3.19Å; L177-I180 PolarHBondContact O-N 3.32Å; I180-M182 VanDerWaalsContact C-N 3.32Å; I180-M182 PolarHBondContact O-N 3.32Å; I180-V183 PolarHBondContact O-N 3.17Å; I180-Y184 HydrophobicContact CG2-CD2 3.9Å; I180-Y184 HydrophobicContact CG2-CE2 4.22Å; I180-Y184 PolarHBondContact O-N 2.87Å; I180-L211 HydrophobicContact CD1-CD1 4.18Å; I180-L211 HydrophobicContact CG2-CD1 3.97Å; I180-Y213 HydrophobicContact CG2-CE2 4.17Å; I180-A219 HydrophobicContact CB-CB 4.37Å; I180-A219 HydrophobicContact CD1-CB 3.9Å; I180-A219 HydrophobicContact CG1-CB 3.99Å; I180-A219 HydrophobicContact CG2-CB 3.44Å; I180-A219 VanDerWaalsContact CG2-CB 3.44Å; I180-F221 HydrophobicContact CD1-CB 4.18Å; I180-F221 HydrophobicContact CD1-CD1 3.8Å; I180-F221 HydrophobicContact CD1-CG 4.41Å
181S98Very high97.2Very high0 Ų030 Ų300%016%0.155CC..Hα-helixtrans-58.3-43176.21700000111.3R127 L177 V183 Y184 N185 G186R127-S181 PolarHBondContact NH2-OG 2.73Å; L177-S181 VanDerWaalsContact O-CB 3.24Å; L177-S181 WeakPolarHBondContact O-CB 3.31Å; L177-S181 PolarHBondContact O-N 2.8Å; S181-V183 PolarHBondContact O-N 3.37Å; S181-Y184 CarbonylContact O-C 3.52Å; S181-Y184 PolarHBondContact O-N 3.4Å; S181-N185 PolarHBondContact O-N 3.11Å; S181-G186 PolarHBondContact O-N 3.19Å
182M98Very high97.6Very high13 Ų1329.9 Ų29.96%0.06416%0.155CC..Hα-helixtrans-61.7-44.9174.9-178.8-168.969.200112R127 I135 R136 Q178 F179 I180 Y184 N185R127-M182 HydrophobicContact CB-SD 4.45Å; R127-M182 HydrophobicContact CG-SD 4.22Å; I135-M182 HydrophobicContact CG2-CE 4.29Å; R136-M182 HydrophobicContact CG-CG 4.08Å; R136-M182 HydrophobicContact CG-SD 4.1Å; R136-M182 PolarHBondContact NH1-SD 2.88Å; Q178-M182 VanDerWaalsContact O-CB 3.28Å; Q178-M182 WeakPolarHBondContact O-CB 3.42Å; Q178-M182 PolarHBondContact O-N 3.41Å; F179-M182 HydrophobicContact CD2-CE 4.03Å; F179-M182 HydrophobicContact CE2-CE 4.18Å; F179-M182 WeakPolarHBondContact O-CB 3.47Å; F179-M182 PolarHBondContact O-N 2.87Å; I180-M182 VanDerWaalsContact C-N 3.32Å; I180-M182 PolarHBondContact O-N 3.32Å; M182-Y184 VanDerWaalsContact C-N 3.31Å; M182-Y184 PolarHBondContact O-N 3.22Å; M182-N185 PolarHBondContact O-N 2.93Å; M182-N185 VanDerWaalsContact O-N 3.17Å
183V98.4Very high97.8Very high12 Ų1235 Ų357%0.07318%0.178CC..Hα-helixtrans-66.1-34.9-179.3171.50000111.9L139 V147 V150 F179 I180 S181 N185 I235L139-V183 HydrophobicContact CD1-CB 4.33Å; L139-V183 HydrophobicContact CD1-CG1 3.98Å; L139-V183 HydrophobicContact CD1-CG2 4.32Å; V147-V183 HydrophobicContact CG1-CG1 4.18Å; V150-V183 HydrophobicContact CG2-CB 4.23Å; V150-V183 HydrophobicContact CG2-CG1 3.55Å; F179-V183 HydrophobicContact CD1-CG2 4.41Å; F179-V183 HydrophobicContact CE1-CG2 4.06Å; F179-V183 HydrophobicContact CE2-CG2 4.4Å; F179-V183 HydrophobicContact CZ-CG2 4.06Å; F179-V183 WeakPolarHBondContact O-CG2 3.41Å; F179-V183 PolarHBondContact O-N 3.07Å; I180-V183 PolarHBondContact O-N 3.17Å; S181-V183 PolarHBondContact O-N 3.37Å; V183-N185 VanDerWaalsContact C-N 3.33Å; V183-I235 HydrophobicContact CG1-CD1 4.19Å; V183-I235 HydrophobicContact CG1-CG1 4.21Å; V183-I235 HydrophobicContact CG1-CG2 3.84Å; V183-I235 HydrophobicContact CG2-CD1 3.46Å; V183-I235 VanDerWaalsContact CG2-CD1 3.46Å; V183-I235 HydrophobicContact CG2-CG1 3.9Å
184Y98.1Very high97.9Very high6 Ų635.8 Ų35.82%0.02419%0.185CC..THydrogen-bonded Turntrans-94.817.1174.5-66.2-41.2000113.9V147 V150 I180 S181 M182 G186 E187 Y213 R217 M218 A219V147-Y184 HydrophobicContact CB-CE1 4.15Å; V147-Y184 HydrophobicContact CG1-CD1 4.49Å; V147-Y184 HydrophobicContact CG1-CE1 3.59Å; V150-Y184 HydrophobicContact CG2-CE1 4.22Å; V150-Y184 HydrophobicContact CG2-CE2 4Å; I180-Y184 HydrophobicContact CG2-CD2 3.9Å; I180-Y184 HydrophobicContact CG2-CE2 4.22Å; I180-Y184 PolarHBondContact O-N 2.87Å; S181-Y184 CarbonylContact O-C 3.52Å; S181-Y184 PolarHBondContact O-N 3.4Å; M182-Y184 VanDerWaalsContact C-N 3.31Å; M182-Y184 PolarHBondContact O-N 3.22Å; Y184-G186 PolarHBondContact O-N 3.31Å; Y184-E187 VanDerWaalsContact O-CB 3.28Å; Y184-E187 WeakPolarHBondContact O-CB 3.23Å; Y184-E187 PolarHBondContact O-N 3.04Å; Y184-Y213 AromaticContact CD2-CD1 3.9Å; Y184-Y213 HydrophobicContact CD2-CD1 3.9Å; Y184-Y213 AromaticContact CD2-CD2 3.61Å; Y184-Y213 HydrophobicContact CD2-CD2 3.61Å; Y184-Y213 AromaticContact CD2-CE1 3.75Å; Y184-Y213 HydrophobicContact CD2-CE1 3.75Å; Y184-Y213 AromaticContact CD2-CE2 3.47Å; Y184-Y213 HydrophobicContact CD2-CE2 3.47Å; Y184-Y213 VanDerWaalsContact CD2-CE2 3.47Å; Y184-Y213 AromaticContact CD2-CG 3.82Å; Y184-Y213 HydrophobicContact CD2-CG 3.82Å; Y184-Y213 AromaticContact CD2-CZ 3.57Å; Y184-Y213 AromaticContact CE2-CD2 3.55Å; Y184-Y213 HydrophobicContact CE2-CD2 3.55Å; Y184-Y213 AromaticContact CE2-CE2 3.69Å; Y184-Y213 HydrophobicContact CE2-CE2 3.69Å; Y184-Y213 HydrophobicContact CE2-CG 4.02Å; Y184-Y213 HydrophobicContact CG-CD1 4.21Å; Y184-Y213 HydrophobicContact CG-CE1 4.2Å; Y184-Y213 HydrophobicContact CG-CG 4.4Å; Y184-R217 HydrophobicContact CE1-CB 4.17Å; Y184-R217 HydrophobicContact CE1-CG 4.46Å; Y184-M218 PolarHBondContact OH-O 3.35Å; Y184-A219 HydrophobicContact CE2-CB 3.88Å
185N96.3Very high97.9Very high148 Ų14839.5 Ų39.579%0.79121%0.212SC*.THydrogen-bonded Turntrans5347.3171.3-165.671000113.9S181 M182 V183 E187S181-N185 PolarHBondContact O-N 3.11Å; M182-N185 PolarHBondContact O-N 2.93Å; M182-N185 VanDerWaalsContact O-N 3.17Å; V183-N185 VanDerWaalsContact C-N 3.33Å; N185-E187 PolarHBondContact O-N 3.4Å
186G96.8Very high97.7Very high19 Ų1940.4 Ų40.420%0.19623%0.225CC..THydrogen-bonded Turntrans69.413.217600000114.6S181 Y184 L308S181-G186 PolarHBondContact O-N 3.19Å; Y184-G186 PolarHBondContact O-N 3.31Å; G186-L308 VanDerWaalsContact O-CD2 3.25Å; G186-L308 WeakPolarHBondContact O-CD2 3.41Å
187E98Very high97.4Very high49 Ų4945.7 Ų45.723%0.22925%0.252CS..PPolyproline II helixtrans-63.4139.1175.6-174.3179.7167.400110.9Y184 N185 Y213 S214 R217Y184-E187 VanDerWaalsContact O-CB 3.28Å; Y184-E187 WeakPolarHBondContact O-CB 3.23Å; Y184-E187 PolarHBondContact O-N 3.04Å; N185-E187 PolarHBondContact O-N 3.4Å; E187-Y213 HydrophobicContact CB-CD1 4.06Å; E187-Y213 HydrophobicContact CB-CE1 4.12Å; E187-Y213 HydrophobicContact CG-CD1 3.9Å; E187-Y213 HydrophobicContact CG-CE1 4.36Å; E187-Y213 VanDerWaalsContact O-CE1 3.26Å; E187-Y213 WeakPolarHBondContact O-CE1 3.49Å; E187-S214 VanDerWaalsContact OE1-CB 3.31Å; E187-S214 WeakPolarHBondContact OE1-CB 3.06Å; E187-S214 PolarHBondContact OE1-N 3.08Å; E187-S214 PolarHBondContact OE1-OG 3.16Å; E187-R217 VanDerWaalsContact CD-NH2 3.26Å; E187-R217 IonicContact OE1-NH2 2.94Å; E187-R217 PolarHBondContact OE1-NH2 3.44Å; E187-R217 VanDerWaalsContact OE1-NH2 3.08Å; E187-R217 IonicContact OE2-CZ 3.53Å; E187-R217 VanDerWaalsContact OE2-CZ 3.23Å; E187-R217 IonicContact OE2-NH1 3.08Å; E187-R217 PolarHBondContact OE2-NH1 3.3Å; E187-R217 IonicContact OE2-NH2 3.03Å; E187-R217 PolarHBondContact OE2-NH2 3.26Å
188K98.2Very high97Very high129 Ų12948.2 Ų48.256%0.56127%0.269SS*.PPolyproline II helixtrans-78.3129.3171.7-176.8163-174.9154.40109.5L308 E311K188-L308 HydrophobicContact CB-CD1 3.91Å; K188-L308 HydrophobicContact CD-CD1 4.11Å; K188-L308 HydrophobicContact CG-CD1 3.79Å; K188-E311 IonicContact NZ-OE2 3.43Å; K188-E311 PolarHBondContact NZ-OE2 3.4Å
189P98.4Very high96.4Very high13 Ų1349.9 Ų49.98%0.08428%0.278CS..PPolyproline II helixtrans-63144.9174.828.1-37000111.2S191 I192 L211 K212 Y213 M312P189-S191 VanDerWaalsContact C-N 3.29Å; P189-I192 HydrophobicContact CB-CG1 4.44Å; P189-I192 HydrophobicContact CG-CD1 3.99Å; P189-I192 HydrophobicContact CG-CG1 3.87Å; P189-L211 HydrophobicContact CB-CB 4.37Å; P189-L211 HydrophobicContact CG-CD2 4.37Å; P189-K212 CarbonylContact C-O 3.46Å; P189-K212 VanDerWaalsContact CA-O 3.28Å; P189-K212 WeakPolarHBondContact CA-O 3.34Å; P189-K212 VanDerWaalsContact CB-O 3.32Å; P189-K212 WeakPolarHBondContact CB-O 3.41Å; P189-Y213 HydrophobicContact CB-CD2 4.38Å; P189-Y213 HydrophobicContact CB-CE1 4.21Å; P189-Y213 HydrophobicContact CB-CE2 4.04Å; P189-M312 HydrophobicContact CG-CE 4.04Å; P189-M312 HydrophobicContact CG-CG 4.43Å; P189-M312 HydrophobicContact CG-SD 4.4Å
190E98.4Very high95.6Very high140 Ų14059.7 Ų59.765%0.65432%0.324SS*.SBendtrans-70.6-27.6174.1-64.5177.916400111.6K212 S214E190-K212 PolarHBondContact N-O 3.13Å; E190-S214 VanDerWaalsContact OE1-CA 3.27Å; E190-S214 WeakPolarHBondContact OE1-CA 3.4Å; E190-S214 WeakPolarHBondContact OE1-CB 3.39Å
191S98.3Very high94.8Very high44 Ų4463.4 Ų63.431%0.30835%0.347SS..EExtended strand (participates in β ladder)trans-157150.9174.471.60000112.2P189 K212P189-S191 VanDerWaalsContact C-N 3.29Å; S191-K212 PolarHBondContact O-N 3.14Å; S191-K212 WeakPolarHBondContact OG-CB 3.4Å; S191-K212 WeakPolarHBondContact OG-CD 3.27Å
192I98.7Very high94.1Very high27 Ų2764.5 Ų64.514%0.13836%0.358CS..EExtended strand (participates in β ladder)trans-122.8132.7175.9-54.5-173000108.1P189 V209 L211 M312 E315 I316 Q319P189-I192 HydrophobicContact CB-CG1 4.44Å; P189-I192 HydrophobicContact CG-CD1 3.99Å; P189-I192 HydrophobicContact CG-CG1 3.87Å; I192-V209 HydrophobicContact CG2-CG1 4.03Å; I192-L211 HydrophobicContact CB-CD2 4.1Å; I192-L211 HydrophobicContact CD1-CD2 4.01Å; I192-L211 HydrophobicContact CG1-CD2 3.63Å; I192-L211 HydrophobicContact CG2-CD2 3.84Å; I192-M312 HydrophobicContact CD1-CB 4.15Å; I192-M312 HydrophobicContact CD1-CG 3.98Å; I192-E315 HydrophobicContact CB-CG 4.27Å; I192-E315 HydrophobicContact CD1-CB 4.34Å; I192-E315 HydrophobicContact CD1-CG 4.17Å; I192-I316 HydrophobicContact CG2-CD1 4.49Å; I192-I316 HydrophobicContact CG2-CG1 3.72Å; I192-Q319 PolarHBondContact O-NE2 3.48Å
193Q98.6Very high93.5Very high106 Ų10663.9 Ų63.950%0.49536%0.355SS..EExtended strand (participates in β ladder)trans-126.7119.7171-66-177.6-32.800108.8V209 I210Q193-V209 CarbonylContact O-C 3.55Å; Q193-V209 WeakPolarHBondContact O-CA 3.41Å; Q193-I210 HydrophobicContact CB-CB 4.45Å; Q193-I210 PolarHBondContact N-O 2.95Å; Q193-I210 PolarHBondContact O-N 2.84Å
194A98.1Very high92.8Very high17 Ų1763.3 Ų63.314%0.1435%0.352CS..EExtended strand (participates in β ladder)trans-124.6141.2-178.200000111V209 I316 Q319 V320A194-V209 HydrophobicContact CB-CG2 3.99Å; A194-I316 HydrophobicContact CB-CB 4.35Å; A194-I316 HydrophobicContact CB-CG1 4.37Å; A194-I316 HydrophobicContact CB-CG2 3.86Å; A194-Q319 HydrophobicContact CB-CB 4.15Å; A194-V320 HydrophobicContact CB-CG1 4.27Å
195S96.7Very high92.4Very high86 Ų8666.5 Ų66.560%0.60137%0.366SS*.EExtended strand (participates in β ladder)trans-141.8148.2171.6-175.70000109.2L207 A208S195-L207 WeakPolarHBondContact O-CA 3.47Å; S195-A208 PolarHBondContact N-O 3.18Å; S195-A208 PolarHBondContact O-N 2.86Å
196G93.6Very high92.3Very high33 Ų3360.9 Ų60.934%0.3434%0.337SS..EExtended strand (participates in β ladder)trans-170.3175.1-176.200000114.6T206G196-T206 CarbonylContact C-O 3.6Å; G196-T206 WeakPolarHBondContact CA-O 3.5Å
197I91.8Very high92.3Very high111 Ų11160 Ų6057%0.56933%0.327SS*.EExtended strand (participates in β ladder)trans-112.3122175.3-59.3173.8000107.5K205 T206I197-K205 WeakPolarHBondContact O-CB 3.4Å; I197-K205 PolarHBondContact O-N 2.91Å; I197-T206 PolarHBondContact N-O 2.92Å; I197-T206 PolarHBondContact O-N 3.49Å
198C89Confident92.2Very high52 Ų5260.1 Ų60.135%0.35134%0.337SS..EExtended strand (participates in β ladder)trans-95.2147.9173.4-64.80000110.8V203 V320 V322C198-V203 CarbonylContact C-O 3.14Å; C198-V203 WeakPolarHBondContact CA-O 3.27Å; C198-V320 PolarHBondContact SG-O 3.36Å; C198-V322 WeakPolarHBondContact SG-CG2 3.32Å
199L84.7Confident92.2Very high40 Ų4054 Ų5421%0.20931%0.31CS..  trans-82.3160.4171-66.1177.3000110.5D160 T201 G202 V203 K205D160-L199 HydrophobicContact CB-CD1 3.58Å; D160-L199 VanDerWaalsContact OD2-CD1 3.24Å; D160-L199 WeakPolarHBondContact OD2-CD1 3.42Å; L199-T201 WeakPolarHBondContact CB-OG1 3.22Å; L199-T201 PolarHBondContact O-N 2.95Å; L199-G202 PolarHBondContact O-N 2.89Å; L199-V203 HydrophobicContact CB-CG2 4.44Å; L199-V203 HydrophobicContact CD1-CG2 4.05Å; L199-V203 PolarHBondContact N-O 2.9Å; L199-K205 HydrophobicContact CD1-CB 4.45Å; L199-K205 HydrophobicContact CD1-CG 4.28Å; L199-K205 HydrophobicContact CD2-CB 4.07Å; L199-K205 HydrophobicContact CD2-CD 3.64Å; L199-K205 HydrophobicContact CD2-CG 4Å; L199-K205 HydrophobicContact CG-CB 3.94Å; L199-K205 HydrophobicContact CG-CD 4.35Å; L199-K205 HydrophobicContact CG-CG 4.15Å
200E81.7Confident92.3Very high208 Ų20856.8 Ų56.897%0.97232%0.324SS*.THydrogen-bonded Turntrans-57.9-27.7171.1-65.1-179179.200112.6G202E200-G202 PolarHBondContact O-N 3.34Å; E200-G202 VanDerWaalsContact O-N 3.13Å
201T81.6Confident92.3Very high79 Ų7950.1 Ų50.149%0.48529%0.293SS..THydrogen-bonded Turntrans-66.1-8.6173.556.80000113.2K162 L199K162-T201 VanDerWaalsContact CD-O 3.24Å; K162-T201 WeakPolarHBondContact CD-O 3.46Å; L199-T201 WeakPolarHBondContact CB-OG1 3.22Å; L199-T201 PolarHBondContact O-N 2.95Å
202G83Confident92.3Very high23 Ų2352.1 Ų52.124%0.23730%0.296CS..SBendtrans82.620.9175.100000114.7K162 L199 E200K162-G202 PolarHBondContact NZ-O 3.01Å; L199-G202 PolarHBondContact O-N 2.89Å; E200-G202 PolarHBondContact O-N 3.34Å; E200-G202 VanDerWaalsContact O-N 3.13Å
203V84.8Confident92.3Very high0 Ų051 Ų510%029%0.29CS..SBendtrans-111.9156.2169.9-57.50000110.4D160 K162 G166 C198 L199 Y324D160-V203 HydrophobicContact CB-CG2 4.12Å; K162-V203 HydrophobicContact CB-CG1 3.6Å; K162-V203 HydrophobicContact CD-CG1 4.26Å; K162-V203 HydrophobicContact CG-CG1 3.79Å; G166-V203 WeakPolarHBondContact O-CG1 3.12Å; C198-V203 CarbonylContact C-O 3.14Å; C198-V203 WeakPolarHBondContact CA-O 3.27Å; L199-V203 HydrophobicContact CB-CG2 4.44Å; L199-V203 HydrophobicContact CD1-CG2 4.05Å; L199-V203 PolarHBondContact N-O 2.9Å; V203-Y324 HydrophobicContact CG1-CE1 4.35Å
204N84.4Confident92.2Very high0 Ų047.4 Ų47.40%028%0.277CS..EExtended strand (participates in β ladder)trans-78.4129.8174.558.8-67.8000111.5A168 L169 L207 V322A168-N204 WeakPolarHBondContact CB-ND2 3.39Å; A168-N204 PolarHBondContact N-ND2 3.49Å; A168-N204 PolarHBondContact N-O 2.89Å; L169-N204 PolarHBondContact N-ND2 2.83Å; N204-L207 HydrophobicContact CB-CD1 4.27Å; N204-L207 HydrophobicContact CB-CD2 4.2Å; N204-L207 HydrophobicContact CB-CG 4.08Å; N204-L207 WeakPolarHBondContact ND2-CD1 3.28Å; N204-L207 WeakPolarHBondContact ND2-CG 3.24Å; N204-V322 HydrophobicContact CB-CG2 4Å
205K90.5Very high92.1Very high73 Ų7354.5 Ų54.532%0.31730%0.304SS..EExtended strand (participates in β ladder)trans-86.7-46.1175-154.6-173.2-163.6159.80111.9A168 I197 L199 F224 T225A168-K205 WeakPolarHBondContact CB-O 3.4Å; I197-K205 WeakPolarHBondContact O-CB 3.4Å; I197-K205 PolarHBondContact O-N 2.91Å; L199-K205 HydrophobicContact CD1-CB 4.45Å; L199-K205 HydrophobicContact CD1-CG 4.28Å; L199-K205 HydrophobicContact CD2-CB 4.07Å; L199-K205 HydrophobicContact CD2-CD 3.64Å; L199-K205 HydrophobicContact CD2-CG 4Å; L199-K205 HydrophobicContact CG-CB 3.94Å; L199-K205 HydrophobicContact CG-CD 4.35Å; L199-K205 HydrophobicContact CG-CG 4.15Å; K205-F224 HydrophobicContact CD-CE2 3.95Å; K205-F224 HydrophobicContact CG-CD2 4.32Å; K205-F224 HydrophobicContact CG-CE2 3.92Å; K205-F224 WeakPolarHBondContact O-CA 3.35Å; K205-F224 VanDerWaalsContact O-CD2 3.27Å; K205-F224 WeakPolarHBondContact O-CD2 3.4Å; K205-T225 PolarHBondContact O-N 3.07Å; K205-T225 PolarHBondContact O-OG1 3.14Å
206T93.4Very high92Very high29 Ų2958 Ų5818%0.17832%0.316CS..EExtended strand (participates in β ladder)trans-136.5135.4-176.4-49.20000108.7G196 I197 C223 F224G196-T206 CarbonylContact C-O 3.6Å; G196-T206 WeakPolarHBondContact CA-O 3.5Å; I197-T206 PolarHBondContact N-O 2.92Å; I197-T206 PolarHBondContact O-N 3.49Å; T206-C223 CarbonylContact C-O 3.51Å; T206-C223 VanDerWaalsContact CA-O 3.3Å; T206-C223 WeakPolarHBondContact CA-O 3.34Å; T206-F224 HydrophobicContact CG2-CB 4.25Å; T206-F224 HydrophobicContact CG2-CD1 4.12Å; T206-F224 HydrophobicContact CG2-CD2 4.43Å; T206-F224 HydrophobicContact CG2-CG 4.03Å; T206-F224 WeakPolarHBondContact OG1-CD2 3.43Å; T206-F224 WeakPolarHBondContact OG1-CE2 3.43Å; T206-F224 WeakPolarHBondContact OG1-CG 3.44Å
207L95.6Very high92.2Very high1 Ų158 Ų581%0.00531%0.306CS..EExtended strand (participates in β ladder)trans-132.3144.8172.7-69.5172.6000110.7L169 S195 N204 T222 C223 I316 V320L169-L207 HydrophobicContact CB-CD1 3.7Å; L169-L207 HydrophobicContact CD1-CD1 3.89Å; L169-L207 HydrophobicContact CD2-CD1 4.34Å; L169-L207 HydrophobicContact CG-CD1 4.18Å; S195-L207 WeakPolarHBondContact O-CA 3.47Å; N204-L207 HydrophobicContact CB-CD1 4.27Å; N204-L207 HydrophobicContact CB-CD2 4.2Å; N204-L207 HydrophobicContact CB-CG 4.08Å; N204-L207 WeakPolarHBondContact ND2-CD1 3.28Å; N204-L207 WeakPolarHBondContact ND2-CG 3.24Å; L207-T222 CarbonylContact O-C 3.52Å; L207-T222 VanDerWaalsContact O-CA 3.23Å; L207-T222 WeakPolarHBondContact O-CA 3.37Å; L207-T222 WeakPolarHBondContact O-CG2 3.29Å; L207-C223 PolarHBondContact N-O 3.02Å; L207-C223 PolarHBondContact O-N 3.42Å; L207-I316 HydrophobicContact CD1-CG2 4.04Å; L207-V320 HydrophobicContact CD2-CB 4.16Å; L207-V320 HydrophobicContact CD2-CG1 3.59Å; L207-V320 HydrophobicContact CD2-CG2 3.91Å
208A97.5Very high92.5Very high51 Ų5157 Ų5742%0.42130%0.3SS..EExtended strand (participates in β ladder)trans-123.4130.4161.500000108.3S195 F221S195-A208 PolarHBondContact N-O 3.18Å; S195-A208 PolarHBondContact O-N 2.86Å; A208-F221 WeakPolarHBondContact CA-O 3.2Å
209V98.6Very high92.9Very high2 Ų254.5 Ų54.51%0.01228%0.283CS..EExtended strand (participates in β ladder)trans-130.3136.9-175.7-1770000109.8I192 Q193 A194 L211 M220 F221 I316I192-V209 HydrophobicContact CG2-CG1 4.03Å; Q193-V209 CarbonylContact O-C 3.55Å; Q193-V209 WeakPolarHBondContact O-CA 3.41Å; A194-V209 HydrophobicContact CB-CG2 3.99Å; V209-L211 HydrophobicContact CG1-CD2 3.98Å; V209-L211 HydrophobicContact CG1-CG 4.22Å; V209-M220 CarbonylContact O-C 3.39Å; V209-M220 WeakPolarHBondContact O-CA 3.43Å; V209-F221 HydrophobicContact CB-CD1 3.9Å; V209-F221 HydrophobicContact CB-CE1 3.46Å; V209-F221 VanDerWaalsContact CB-CE1 3.46Å; V209-F221 HydrophobicContact CB-CE2 4.25Å; V209-F221 HydrophobicContact CB-CG 4.47Å; V209-F221 HydrophobicContact CB-CZ 3.67Å; V209-F221 HydrophobicContact CG1-CD1 4.38Å; V209-F221 HydrophobicContact CG1-CE1 3.7Å; V209-F221 HydrophobicContact CG1-CZ 4.16Å; V209-F221 HydrophobicContact CG2-CE1 3.87Å; V209-F221 HydrophobicContact CG2-CE2 3.92Å; V209-F221 HydrophobicContact CG2-CZ 3.5Å; V209-F221 VanDerWaalsContact CG2-CZ 3.5Å; V209-F221 PolarHBondContact N-O 2.99Å; V209-F221 PolarHBondContact O-N 2.82Å; V209-I316 HydrophobicContact CG1-CD1 3.93Å; V209-I316 HydrophobicContact CG1-CG1 4.06Å; V209-I316 HydrophobicContact CG2-CD1 4.19Å; V209-I316 HydrophobicContact CG2-CG1 4.29Å; V209-I316 HydrophobicContact CG2-CG2 3.94Å
210I98.6Very high93.6Very high71 Ų7155.9 Ų55.936%0.36429%0.289SS..EExtended strand (participates in β ladder)trans-117.8131.5173.2-60.9167.6000108.2Q193 M220Q193-I210 HydrophobicContact CB-CB 4.45Å; Q193-I210 PolarHBondContact N-O 2.95Å; Q193-I210 PolarHBondContact O-N 2.84Å; I210-M220 HydrophobicContact CG1-CB 4.43Å
211L98.8Very high94.4Very high0 Ų046 Ų460%024%0.243CC..EExtended strand (participates in β ladder)trans-120.7126.4-180-56.2168.4000108.5L177 I180 P189 I192 V209 Y213 M218 A219 M312L177-L211 HydrophobicContact CD2-CD1 4.15Å; I180-L211 HydrophobicContact CD1-CD1 4.18Å; I180-L211 HydrophobicContact CG2-CD1 3.97Å; P189-L211 HydrophobicContact CB-CB 4.37Å; P189-L211 HydrophobicContact CG-CD2 4.37Å; I192-L211 HydrophobicContact CB-CD2 4.1Å; I192-L211 HydrophobicContact CD1-CD2 4.01Å; I192-L211 HydrophobicContact CG1-CD2 3.63Å; I192-L211 HydrophobicContact CG2-CD2 3.84Å; V209-L211 HydrophobicContact CG1-CD2 3.98Å; V209-L211 HydrophobicContact CG1-CG 4.22Å; L211-Y213 HydrophobicContact CB-CD2 4.25Å; L211-Y213 HydrophobicContact CB-CE2 3.6Å; L211-Y213 HydrophobicContact CD1-CE2 4.32Å; L211-M218 CarbonylContact O-C 3.42Å; L211-M218 WeakPolarHBondContact O-CA 3.44Å; L211-A219 HydrophobicContact CB-CB 4.33Å; L211-A219 HydrophobicContact CD1-CB 4.41Å; L211-A219 PolarHBondContact N-O 2.63Å; L211-A219 PolarHBondContact O-N 3.09Å; L211-M312 HydrophobicContact CD1-CE 3.68Å; L211-M312 HydrophobicContact CD2-CE 3.88Å; L211-M312 HydrophobicContact CG-CE 4.43Å
212K98.5Very high95.2Very high86 Ų8644.4 Ų44.437%0.37423%0.233SC..EExtended strand (participates in β ladder)trans-101.9135.5172.8-60.8-175.1-178.5171.80109.9P189 E190 S191 M218P189-K212 CarbonylContact C-O 3.46Å; P189-K212 VanDerWaalsContact CA-O 3.28Å; P189-K212 WeakPolarHBondContact CA-O 3.34Å; P189-K212 VanDerWaalsContact CB-O 3.32Å; P189-K212 WeakPolarHBondContact CB-O 3.41Å; E190-K212 PolarHBondContact N-O 3.13Å; S191-K212 PolarHBondContact O-N 3.14Å; S191-K212 WeakPolarHBondContact OG-CB 3.4Å; S191-K212 WeakPolarHBondContact OG-CD 3.27Å; K212-M218 HydrophobicContact CG-CG 4.35Å
213Y98.6Very high95.8Very high3 Ų343.3 Ų43.31%0.01222%0.222CC..EExtended strand (participates in β ladder)trans-123.1161.7179.6-73.6-99.6000109.8I180 Y184 E187 P189 L211 R217 A219I180-Y213 HydrophobicContact CG2-CE2 4.17Å; Y184-Y213 AromaticContact CD2-CD1 3.9Å; Y184-Y213 HydrophobicContact CD2-CD1 3.9Å; Y184-Y213 AromaticContact CD2-CD2 3.61Å; Y184-Y213 HydrophobicContact CD2-CD2 3.61Å; Y184-Y213 AromaticContact CD2-CE1 3.75Å; Y184-Y213 HydrophobicContact CD2-CE1 3.75Å; Y184-Y213 AromaticContact CD2-CE2 3.47Å; Y184-Y213 HydrophobicContact CD2-CE2 3.47Å; Y184-Y213 VanDerWaalsContact CD2-CE2 3.47Å; Y184-Y213 AromaticContact CD2-CG 3.82Å; Y184-Y213 HydrophobicContact CD2-CG 3.82Å; Y184-Y213 AromaticContact CD2-CZ 3.57Å; Y184-Y213 AromaticContact CE2-CD2 3.55Å; Y184-Y213 HydrophobicContact CE2-CD2 3.55Å; Y184-Y213 AromaticContact CE2-CE2 3.69Å; Y184-Y213 HydrophobicContact CE2-CE2 3.69Å; Y184-Y213 HydrophobicContact CE2-CG 4.02Å; Y184-Y213 HydrophobicContact CG-CD1 4.21Å; Y184-Y213 HydrophobicContact CG-CE1 4.2Å; Y184-Y213 HydrophobicContact CG-CG 4.4Å; E187-Y213 HydrophobicContact CB-CD1 4.06Å; E187-Y213 HydrophobicContact CB-CE1 4.12Å; E187-Y213 HydrophobicContact CG-CD1 3.9Å; E187-Y213 HydrophobicContact CG-CE1 4.36Å; E187-Y213 VanDerWaalsContact O-CE1 3.26Å; E187-Y213 WeakPolarHBondContact O-CE1 3.49Å; P189-Y213 HydrophobicContact CB-CD2 4.38Å; P189-Y213 HydrophobicContact CB-CE1 4.21Å; P189-Y213 HydrophobicContact CB-CE2 4.04Å; L211-Y213 HydrophobicContact CB-CD2 4.25Å; L211-Y213 HydrophobicContact CB-CE2 3.6Å; L211-Y213 HydrophobicContact CD1-CE2 4.32Å; Y213-R217 PolarHBondContact N-O 2.94Å; Y213-R217 PolarHBondContact O-N 2.76Å; Y213-A219 HydrophobicContact CE2-CB 4.41Å
214S96.9Very high96.3Very high31 Ų3145.6 Ų45.622%0.21723%0.232CC..THydrogen-bonded Turntrans-58.3163.4176.773.10000111.8E187 E190 N216 R217E187-S214 VanDerWaalsContact OE1-CB 3.31Å; E187-S214 WeakPolarHBondContact OE1-CB 3.06Å; E187-S214 PolarHBondContact OE1-N 3.08Å; E187-S214 PolarHBondContact OE1-OG 3.16Å; E190-S214 VanDerWaalsContact OE1-CA 3.27Å; E190-S214 WeakPolarHBondContact OE1-CA 3.4Å; E190-S214 WeakPolarHBondContact OE1-CB 3.39Å; S214-N216 VanDerWaalsContact C-N 3.3Å; S214-N216 PolarHBondContact O-N 3.27Å; S214-R217 PolarHBondContact O-NE 3.48Å; S214-R217 PolarHBondContact O-NH2 3.11Å; S214-R217 PolarHBondContact OG-NH2 3.33Å
215K95.6Very high96.6Very high166 Ų16645.8 Ų45.872%0.72223%0.233SC*.THydrogen-bonded Turntrans62.633.3-179.3-49.7175.7179.3177.10113.5R217K215-R217 VanDerWaalsContact C-N 3.31Å; K215-R217 PolarHBondContact O-N 3.06Å
216N94.1Very high96.5Very high158 Ų15843.8 Ų43.885%0.84523%0.233SC*.THydrogen-bonded Turntrans56.841.1177.5-57.6-41.8000113.1S214S214-N216 VanDerWaalsContact C-N 3.3Å; S214-N216 PolarHBondContact O-N 3.27Å
217R97.9Very high96.4Very high33 Ų3345.5 Ų45.513%0.12524%0.244CC..EExtended strand (participates in β ladder)trans-104.2147.3177.8-67.9177.8-69.9151.3-0.3110.1V147 Y184 E187 Y213 S214 K215V147-R217 WeakPolarHBondContact O-CD 3.27Å; V147-R217 WeakPolarHBondContact O-CG 3.44Å; Y184-R217 HydrophobicContact CE1-CB 4.17Å; Y184-R217 HydrophobicContact CE1-CG 4.46Å; E187-R217 VanDerWaalsContact CD-NH2 3.26Å; E187-R217 IonicContact OE1-NH2 2.94Å; E187-R217 PolarHBondContact OE1-NH2 3.44Å; E187-R217 VanDerWaalsContact OE1-NH2 3.08Å; E187-R217 IonicContact OE2-CZ 3.53Å; E187-R217 VanDerWaalsContact OE2-CZ 3.23Å; E187-R217 IonicContact OE2-NH1 3.08Å; E187-R217 PolarHBondContact OE2-NH1 3.3Å; E187-R217 IonicContact OE2-NH2 3.03Å; E187-R217 PolarHBondContact OE2-NH2 3.26Å; Y213-R217 PolarHBondContact N-O 2.94Å; Y213-R217 PolarHBondContact O-N 2.76Å; S214-R217 PolarHBondContact O-NE 3.48Å; S214-R217 PolarHBondContact O-NH2 3.11Å; S214-R217 PolarHBondContact OG-NH2 3.33Å; K215-R217 VanDerWaalsContact C-N 3.31Å; K215-R217 PolarHBondContact O-N 3.06Å
218M98.1Very high96.3Very high90 Ų9050.9 Ų50.944%0.44327%0.269SS..EExtended strand (participates in β ladder)trans-134.5154.4177.8-68.7-173.9-67.700111.4K148 M149 V150 Y184 L211 K212K148-M218 PolarHBondContact O-N 2.74Å; M149-M218 VanDerWaalsContact CA-O 3.27Å; M149-M218 WeakPolarHBondContact CA-O 3.19Å; V150-M218 PolarHBondContact N-O 2.79Å; V150-M218 VanDerWaalsContact N-O 3.09Å; Y184-M218 PolarHBondContact OH-O 3.35Å; L211-M218 CarbonylContact O-C 3.42Å; L211-M218 WeakPolarHBondContact O-CA 3.44Å; K212-M218 HydrophobicContact CG-CG 4.35Å
219A98.8Very high96.2Very high0 Ų050.7 Ų50.70%026%0.261CS..EExtended strand (participates in β ladder)trans-132.5155.4163.700000110.2V150 I180 Y184 L211 Y213V150-A219 HydrophobicContact CB-CB 3.95Å; V150-A219 CarbonylContact O-C 3.57Å; V150-A219 WeakPolarHBondContact O-CA 3.41Å; I180-A219 HydrophobicContact CB-CB 4.37Å; I180-A219 HydrophobicContact CD1-CB 3.9Å; I180-A219 HydrophobicContact CG1-CB 3.99Å; I180-A219 HydrophobicContact CG2-CB 3.44Å; I180-A219 VanDerWaalsContact CG2-CB 3.44Å; Y184-A219 HydrophobicContact CE2-CB 3.88Å; L211-A219 HydrophobicContact CB-CB 4.33Å; L211-A219 HydrophobicContact CD1-CB 4.41Å; L211-A219 PolarHBondContact N-O 2.63Å; L211-A219 PolarHBondContact O-N 3.09Å; Y213-A219 HydrophobicContact CE2-CB 4.41Å
220M98.5Very high96Very high69 Ų6957.4 Ų57.434%0.3429%0.291SS..EExtended strand (participates in β ladder)trans-141.6149.3171.963.6-172.361.400110.4M149 V150 R151 A152 V209 I210M149-M220 HydrophobicContact CE-CE 3.38Å; M149-M220 HydrophobicContact CE-CG 4.14Å; M149-M220 HydrophobicContact CE-SD 3.52Å; M149-M220 VanDerWaalsContact CE-SD 3.52Å; M149-M220 HydrophobicContact SD-CE 4.44Å; V150-M220 PolarHBondContact O-N 3Å; R151-M220 WeakPolarHBondContact CA-O 3.43Å; R151-M220 HydrophobicContact CB-CG 4.33Å; R151-M220 HydrophobicContact CG-CG 4.1Å; A152-M220 PolarHBondContact N-O 2.89Å; A152-M220 VanDerWaalsContact N-O 3.14Å; V209-M220 CarbonylContact O-C 3.39Å; V209-M220 WeakPolarHBondContact O-CA 3.43Å; I210-M220 HydrophobicContact CG1-CB 4.43Å
221F98.6Very high96Very high2 Ų254 Ų541%0.00927%0.274CS..EExtended strand (participates in β ladder)trans-146155.1168.372.3-90.8000112.9A152 L169 C176 L177 I180 A208 V209 I316A152-F221 HydrophobicContact CB-CB 4.33Å; A152-F221 WeakPolarHBondContact O-CA 2.99Å; A152-F221 WeakPolarHBondContact O-CB 3.47Å; L169-F221 HydrophobicContact CD1-CE2 4.38Å; L169-F221 HydrophobicContact CD1-CZ 4.22Å; C176-F221 HydrophobicContact CB-CB 3.51Å; C176-F221 HydrophobicContact CB-CD1 4.1Å; C176-F221 HydrophobicContact CB-CD2 3.55Å; C176-F221 HydrophobicContact CB-CE2 4.24Å; C176-F221 HydrophobicContact CB-CG 3.45Å; C176-F221 VanDerWaalsContact CB-CG 3.45Å; L177-F221 HydrophobicContact CD1-CZ 4.43Å; L177-F221 HydrophobicContact CD2-CD1 4.35Å; L177-F221 HydrophobicContact CD2-CE1 3.43Å; L177-F221 VanDerWaalsContact CD2-CE1 3.43Å; L177-F221 HydrophobicContact CD2-CZ 3.92Å; L177-F221 HydrophobicContact CG-CE1 3.82Å; L177-F221 HydrophobicContact CG-CZ 3.86Å; I180-F221 HydrophobicContact CD1-CB 4.18Å; I180-F221 HydrophobicContact CD1-CD1 3.8Å; I180-F221 HydrophobicContact CD1-CG 4.41Å; A208-F221 WeakPolarHBondContact CA-O 3.2Å; V209-F221 HydrophobicContact CB-CD1 3.9Å; V209-F221 HydrophobicContact CB-CE1 3.46Å; V209-F221 VanDerWaalsContact CB-CE1 3.46Å; V209-F221 HydrophobicContact CB-CE2 4.25Å; V209-F221 HydrophobicContact CB-CG 4.47Å; V209-F221 HydrophobicContact CB-CZ 3.67Å; V209-F221 HydrophobicContact CG1-CD1 4.38Å; V209-F221 HydrophobicContact CG1-CE1 3.7Å; V209-F221 HydrophobicContact CG1-CZ 4.16Å; V209-F221 HydrophobicContact CG2-CE1 3.87Å; V209-F221 HydrophobicContact CG2-CE2 3.92Å; V209-F221 HydrophobicContact CG2-CZ 3.5Å; V209-F221 VanDerWaalsContact CG2-CZ 3.5Å; V209-F221 PolarHBondContact N-O 2.99Å; V209-F221 PolarHBondContact O-N 2.82Å; F221-I316 HydrophobicContact CE1-CD1 4.34Å; F221-I316 HydrophobicContact CZ-CD1 4.04Å
222T97.9Very high96Very high45 Ų4555.5 Ų55.528%0.27628%0.282SS..EExtended strand (participates in β ladder)trans-118.9139.4170.6-37.80000109.4A152 D153 Y154 L207 L229A152-T222 PolarHBondContact O-N 3.33Å; D153-T222 WeakPolarHBondContact CA-O 3.4Å; D153-T222 WeakPolarHBondContact OD1-CB 3.37Å; D153-T222 PolarHBondContact OD1-N 3.06Å; D153-T222 PolarHBondContact OD1-OG1 3.11Å; Y154-T222 PolarHBondContact N-O 2.84Å; L207-T222 CarbonylContact O-C 3.52Å; L207-T222 VanDerWaalsContact O-CA 3.23Å; L207-T222 WeakPolarHBondContact O-CA 3.37Å; L207-T222 WeakPolarHBondContact O-CG2 3.29Å; T222-L229 HydrophobicContact CG2-CD1 4.3Å
223C96.1Very high96Very high0 Ų051.4 Ų51.40%026%0.264CS..EExtended strand (participates in β ladder)trans-131.7147.4165.865.60000112.8Y154 A168 L172 T206 L207Y154-C223 WeakPolarHBondContact O-CA 3.44Å; Y154-C223 WeakPolarHBondContact O-CB 3.34Å; A168-C223 VanDerWaalsContact C-SG 3.55Å; A168-C223 HydrophobicContact CB-CB 4.34Å; A168-C223 PolarHBondContact O-SG 2.8Å; L172-C223 HydrophobicContact CB-CB 4.06Å; T206-C223 CarbonylContact C-O 3.51Å; T206-C223 VanDerWaalsContact CA-O 3.3Å; T206-C223 WeakPolarHBondContact CA-O 3.34Å; L207-C223 PolarHBondContact N-O 3.02Å; L207-C223 PolarHBondContact O-N 3.42Å
224F94.9Very high96Very high47 Ų4752.7 Ų52.721%0.20627%0.271CS..EExtended strand (participates in β ladder)trans-151.7118.2-174.8-165.3173.5000112.7Y154 G155 V156 L172 K205 T206 G226 V227 L229Y154-F224 PolarHBondContact O-N 3.37Å; Y154-F224 VanDerWaalsContact O-N 3.11Å; G155-F224 CarbonylContact C-O 3.55Å; G155-F224 WeakPolarHBondContact CA-O 3.36Å; V156-F224 PolarHBondContact N-O 3.06Å; V156-F224 VanDerWaalsContact N-O 3.07Å; L172-F224 WeakPolarHBondContact CD1-O 3.39Å; K205-F224 HydrophobicContact CD-CE2 3.95Å; K205-F224 HydrophobicContact CG-CD2 4.32Å; K205-F224 HydrophobicContact CG-CE2 3.92Å; K205-F224 WeakPolarHBondContact O-CA 3.35Å; K205-F224 VanDerWaalsContact O-CD2 3.27Å; K205-F224 WeakPolarHBondContact O-CD2 3.4Å; T206-F224 HydrophobicContact CG2-CB 4.25Å; T206-F224 HydrophobicContact CG2-CD1 4.12Å; T206-F224 HydrophobicContact CG2-CD2 4.43Å; T206-F224 HydrophobicContact CG2-CG 4.03Å; T206-F224 WeakPolarHBondContact OG1-CD2 3.43Å; T206-F224 WeakPolarHBondContact OG1-CE2 3.43Å; T206-F224 WeakPolarHBondContact OG1-CG 3.44Å; F224-G226 VanDerWaalsContact C-N 3.33Å; F224-G226 VanDerWaalsContact CE2-CA 3.44Å; F224-G226 VanDerWaalsContact CE2-N 3.34Å; F224-G226 PolarHBondContact O-N 3.24Å; F224-V227 HydrophobicContact CD1-CB 4.49Å; F224-V227 HydrophobicContact CD1-CG2 3.34Å; F224-V227 HydrophobicContact CE1-CB 4.28Å; F224-V227 HydrophobicContact CE1-CG1 4.06Å; F224-V227 HydrophobicContact CE1-CG2 3.38Å; F224-V227 HydrophobicContact CG-CG2 4.09Å; F224-V227 HydrophobicContact CZ-CG1 4.1Å; F224-V227 HydrophobicContact CZ-CG2 4.16Å; F224-L229 HydrophobicContact CB-CD1 4.13Å; F224-L229 HydrophobicContact CB-CG 4.42Å
225T92.2Very high96.1Very high4 Ų451.2 Ų51.23%0.02526%0.261CS..SBendtrans-81-3.4176.155.80000115.2V156 P157 R158 D160 A168 L172 K205V156-T225 CarbonylContact O-C 3.56Å; V156-T225 VanDerWaalsContact O-CA 3.28Å; V156-T225 WeakPolarHBondContact O-CA 3.22Å; P157-T225 CarbonylContact C-O 3.57Å; P157-T225 WeakPolarHBondContact CA-O 3.32Å; R158-T225 HydrophobicContact CB-CG2 3.85Å; R158-T225 HydrophobicContact CG-CG2 4.4Å; R158-T225 PolarHBondContact N-O 2.85Å; D160-T225 PolarHBondContact OD1-OG1 2.91Å; A168-T225 VanDerWaalsContact CA-CG2 3.44Å; A168-T225 HydrophobicContact CB-CG2 3.69Å; L172-T225 HydrophobicContact CD1-CG2 4.12Å; K205-T225 PolarHBondContact O-N 3.07Å; K205-T225 PolarHBondContact O-OG1 3.14Å
226G88.1Confident96.2Very high32 Ų3246.1 Ų46.133%0.3324%0.243SC..SBendtrans-100-25.8-173.600000115F224F224-G226 VanDerWaalsContact C-N 3.33Å; F224-G226 VanDerWaalsContact CE2-CA 3.44Å; F224-G226 VanDerWaalsContact CE2-N 3.34Å; F224-G226 PolarHBondContact O-N 3.24Å
227V90.3Very high96.4Very high65 Ų6539.1 Ų39.139%0.39421%0.208SC..SBendtrans-145.1159.2-175.9-52.40000111.6G155 V156 F224 L229G155-V227 CarbonylContact C-O 3.57Å; G155-V227 WeakPolarHBondContact CA-O 3.22Å; V156-V227 PolarHBondContact N-O 2.89Å; F224-V227 HydrophobicContact CD1-CB 4.49Å; F224-V227 HydrophobicContact CD1-CG2 3.34Å; F224-V227 HydrophobicContact CE1-CB 4.28Å; F224-V227 HydrophobicContact CE1-CG1 4.06Å; F224-V227 HydrophobicContact CE1-CG2 3.38Å; F224-V227 HydrophobicContact CG-CG2 4.09Å; F224-V227 HydrophobicContact CZ-CG1 4.1Å; F224-V227 HydrophobicContact CZ-CG2 4.16Å; V227-L229 HydrophobicContact CG2-CD2 4.23Å
228Q93.1Very high96.4Very high114 Ų11441.6 Ų41.653%0.53323%0.227SC..  trans-69.6124170.3-179.362.441.700110.3G155 N231G155-Q228 WeakPolarHBondContact O-CA 3.29Å; Q228-N231 VanDerWaalsContact NE2-CG 3.29Å; Q228-N231 PolarHBondContact NE2-ND2 3.3Å
229L95.8Very high96.5Very high47 Ų4743.9 Ų43.925%0.24624%0.235CC..  trans-97.2-177.5167.5-62.6-179000110.6D153 G155 T222 F224 V227 N231D153-L229 HydrophobicContact CB-CD1 4.37Å; G155-L229 PolarHBondContact O-N 3.37Å; T222-L229 HydrophobicContact CG2-CD1 4.3Å; F224-L229 HydrophobicContact CB-CD1 4.13Å; F224-L229 HydrophobicContact CB-CG 4.42Å; V227-L229 HydrophobicContact CG2-CD2 4.23Å; L229-N231 PolarHBondContact O-N 3.1Å; L229-N231 PolarHBondContact O-OD1 2.89Å
230H95.6Very high96.4Very high143 Ų14344.8 Ų44.866%0.66224%0.244SC*.  trans-59.3-29.1173.5-77.8-78.1000113D232 S246H230-D232 PolarHBondContact O-N 3.49Å; H230-S246 VanDerWaalsContact O-CB 3.32Å; H230-S246 WeakPolarHBondContact O-CB 3.41Å
231N97.7Very high96.4Very high0 Ų045.4 Ų45.40%024%0.244CC..  trans62.130.2173.2-75.411.4000114.1D153 Y154 G155 Q228 L229 S246 M248 W249D153-N231 CarbonylContact O-C 3.59Å; D153-N231 VanDerWaalsContact O-CA 3.22Å; D153-N231 WeakPolarHBondContact O-CA 3.48Å; Y154-N231 WeakPolarHBondContact CA-OD1 3.44Å; G155-N231 PolarHBondContact N-OD1 3.46Å; G155-N231 PolarHBondContact O-ND2 3.2Å; G155-N231 VanDerWaalsContact O-ND2 3.07Å; G155-N231 PolarHBondContact O-OD1 3.4Å; Q228-N231 VanDerWaalsContact NE2-CG 3.29Å; Q228-N231 PolarHBondContact NE2-ND2 3.3Å; L229-N231 PolarHBondContact O-N 3.1Å; L229-N231 PolarHBondContact O-OD1 2.89Å; N231-S246 WeakPolarHBondContact CB-OG 3.31Å; N231-S246 VanDerWaalsContact O-CA 3.29Å; N231-S246 WeakPolarHBondContact O-CA 3.38Å; N231-M248 WeakPolarHBondContact O-CB 3.32Å; N231-M248 WeakPolarHBondContact O-CG 3.4Å; N231-M248 PolarHBondContact O-N 2.75Å; N231-W249 HydrophobicContact CB-CH2 4.3Å; N231-W249 HydrophobicContact CB-CZ3 3.64Å; N231-W249 WeakPolarHBondContact ND2-CH2 3.38Å; N231-W249 VanDerWaalsContact ND2-CZ3 3.34Å; N231-W249 WeakPolarHBondContact ND2-CZ3 3.2Å
232D98.4Very high96.4Very high30 Ų3045.3 Ų45.316%0.1624%0.244CC..  trans-113.4173-17870.423.8000111.7R151 D153 H230 V244R151-D232 IonicContact CZ-OD1 3.46Å; R151-D232 IonicContact NH2-OD1 3.82Å; R151-D232 PolarHBondContact NH2-OD1 3.14Å; R151-D232 IonicContact NH2-OD2 3.67Å; R151-D232 PolarHBondContact NH2-OD2 2.8Å; D153-D232 PolarHBondContact N-O 2.98Å; H230-D232 PolarHBondContact O-N 3.49Å; D232-V244 WeakPolarHBondContact CA-O 3.24Å; D232-V244 WeakPolarHBondContact CB-O 3.27Å
233A98.7Very high96.5Very high0 Ų045.8 Ų45.80%024%0.243CC..EExtended strand (participates in β ladder)trans-139.6154.8169.200000111.9R151 A152 F179 V244 M248R151-A233 CarbonylContact O-C 3.58Å; R151-A233 WeakPolarHBondContact O-CA 3.45Å; R151-A233 WeakPolarHBondContact O-CB 3Å; A152-A233 HydrophobicContact CB-CB 3.99Å; F179-A233 HydrophobicContact CD1-CB 3.99Å; F179-A233 HydrophobicContact CE1-CB 3.5Å; F179-A233 HydrophobicContact CE2-CB 4.39Å; F179-A233 HydrophobicContact CZ-CB 3.73Å; A233-V244 HydrophobicContact CB-CB 4.16Å; A233-V244 HydrophobicContact CB-CG2 4.43Å; A233-V244 PolarHBondContact N-O 3.43Å; A233-V244 PolarHBondContact O-N 3.14Å; A233-M248 HydrophobicContact CB-CB 4.14Å; A233-M248 HydrophobicContact CB-CG 4.46Å
234I98.6Very high96.6Very high31 Ų3145.9 Ų45.916%0.15924%0.244CC..EExtended strand (participates in β ladder)trans-138.8133.8-179.7-53.5178.4000109.5V150 R151 V236 I242 Q243V150-I234 CarbonylContact C-O 3.53Å; V150-I234 WeakPolarHBondContact CA-O 3.35Å; R151-I234 PolarHBondContact N-O 3.44Å; R151-I234 PolarHBondContact O-N 2.65Å; I234-V236 HydrophobicContact CG2-CG2 3.81Å; I234-I242 WeakPolarHBondContact CA-O 3.28Å; I234-Q243 HydrophobicContact CG1-CG 4.28Å; I234-Q243 HydrophobicContact CG2-CG 4.31Å
235I98.8Very high96.7Very high0 Ų045.5 Ų45.50%025%0.246CC..EExtended strand (participates in β ladder)trans-113.6121170.9-50.7164.6000107.4I135 L139 I144 V147 V150 F179 V183 K241 I242I135-I235 HydrophobicContact CG2-CD1 3.48Å; I135-I235 VanDerWaalsContact CG2-CD1 3.48Å; L139-I235 HydrophobicContact CD2-CG2 4.29Å; I144-I235 HydrophobicContact CD1-CB 4.37Å; I144-I235 HydrophobicContact CD1-CG2 3.72Å; V147-I235 HydrophobicContact CG1-CG2 3.72Å; V147-I235 HydrophobicContact CG2-CG2 4.06Å; V150-I235 HydrophobicContact CG2-CG2 4.4Å; F179-I235 HydrophobicContact CE1-CD1 4.45Å; F179-I235 HydrophobicContact CE1-CG1 4.07Å; F179-I235 HydrophobicContact CZ-CD1 3.83Å; F179-I235 HydrophobicContact CZ-CG1 3.85Å; V183-I235 HydrophobicContact CG1-CD1 4.19Å; V183-I235 HydrophobicContact CG1-CG1 4.21Å; V183-I235 HydrophobicContact CG1-CG2 3.84Å; V183-I235 HydrophobicContact CG2-CD1 3.46Å; V183-I235 VanDerWaalsContact CG2-CD1 3.46Å; V183-I235 HydrophobicContact CG2-CG1 3.9Å; I235-K241 CarbonylContact O-C 3.18Å; I235-K241 WeakPolarHBondContact O-CA 3.43Å; I235-K241 WeakPolarHBondContact O-CB 3.45Å; I235-I242 HydrophobicContact CB-CB 4.33Å; I235-I242 HydrophobicContact CD1-CB 4.37Å; I235-I242 HydrophobicContact CD1-CD1 4.5Å; I235-I242 PolarHBondContact N-O 2.82Å; I235-I242 PolarHBondContact O-N 3.02Å
236V98.6Very high97Very high58 Ų5848.3 Ų48.335%0.35227%0.266SS..EExtended strand (participates in β ladder)trans-111.5124.3-178.5-174.40000109.1K148 M149 I234K148-V236 PolarHBondContact N-O 3.23Å; M149-V236 HydrophobicContact CB-CB 4.28Å; M149-V236 PolarHBondContact N-O 2.73Å; M149-V236 PolarHBondContact O-N 2.93Å; I234-V236 HydrophobicContact CG2-CG2 3.81Å
237G98.5Very high97.4Very high11 Ų1147.8 Ų47.811%0.11326%0.257CS..EExtended strand (participates in β ladder)trans-122.4175.6173.500000112.6I144 D146 K239 G240I144-G237 CarbonylContact O-C 3.48Å; I144-G237 VanDerWaalsContact O-CA 3.27Å; I144-G237 WeakPolarHBondContact O-CA 3.43Å; D146-G237 CarbonylContact O-C 3.5Å; D146-G237 WeakPolarHBondContact O-CA 3.33Å; G237-K239 VanDerWaalsContact C-N 3.25Å; G237-K239 PolarHBondContact O-N 3.35Å; G237-G240 CarbonylContact C-O 3.56Å; G237-G240 PolarHBondContact N-O 3.33Å; G237-G240 PolarHBondContact O-N 3.14Å; G237-G240 VanDerWaalsContact O-O 3.05Å
238T98.3Very high97.8Very high85 Ų8544.8 Ų44.852%0.52124%0.238SC..THydrogen-bonded Turntrans-67.6-21.2-176.153.40000114.5I144 D146 K148I144-T238 PolarHBondContact O-N 2.95Å; D146-T238 HydrophobicContact CB-CG2 4.04Å; D146-T238 PolarHBondContact N-OG1 2.97Å; D146-T238 PolarHBondContact O-N 3.43Å; K148-T238 HydrophobicContact CD-CG2 4.35Å; K148-T238 HydrophobicContact CG-CG2 4.03Å
239K98.3Very high98Very high139 Ų13940.6 Ų40.660%0.60422%0.218SC*.THydrogen-bonded Turntrans-112.5-0.2-178.8-56.2175.6-176.3167.30113.4I144 G237I144-K239 PolarHBondContact O-N 2.93Å; G237-K239 VanDerWaalsContact C-N 3.25Å; G237-K239 PolarHBondContact O-N 3.35Å
240G98.1Very high98.1Very high18 Ų1838.3 Ų38.319%0.18621%0.206CC..EExtended strand (participates in β ladder)trans165.2-166.2-176.800000114.6G237 N257G237-G240 CarbonylContact C-O 3.56Å; G237-G240 PolarHBondContact N-O 3.33Å; G237-G240 PolarHBondContact O-N 3.14Å; G237-G240 VanDerWaalsContact O-O 3.05Å; G240-N257 WeakPolarHBondContact CA-OD1 3.34Å
241K98.4Very high98.3Very high82 Ų8231.6 Ų31.636%0.35718%0.175SC..EExtended strand (participates in β ladder)trans-144.5151.9176.965.3177-178.8170.40112.4I235 Q243 N257I235-K241 CarbonylContact O-C 3.18Å; I235-K241 WeakPolarHBondContact O-CA 3.43Å; I235-K241 WeakPolarHBondContact O-CB 3.45Å; K241-Q243 HydrophobicContact CD-CG 4.26Å; K241-Q243 VanDerWaalsContact NZ-OE1 3.14Å; K241-N257 PolarHBondContact N-OD1 3.21Å; K241-N257 PolarHBondContact O-N 3.43Å; K241-N257 VanDerWaalsContact O-N 3.15Å; K241-N257 PolarHBondContact O-OD1 3.03Å
242I98.8Very high98.3Very high0 Ų033.1 Ų33.10%018%0.184CC..EExtended strand (participates in β ladder)trans-113125.7168.8-58.2167.1000107I135 L138 L139 I144 I234 I235 L254 V256I135-I242 HydrophobicContact CG1-CG2 4.18Å; L138-I242 HydrophobicContact CB-CD1 3.98Å; L138-I242 HydrophobicContact CD1-CD1 3.99Å; L138-I242 HydrophobicContact CD1-CG1 4.41Å; L139-I242 HydrophobicContact CD2-CD1 4.36Å; I144-I242 HydrophobicContact CD1-CD1 4.13Å; I144-I242 HydrophobicContact CD1-CG1 4.27Å; I144-I242 HydrophobicContact CG2-CD1 4.43Å; I144-I242 HydrophobicContact CG2-CG1 4.02Å; I234-I242 WeakPolarHBondContact CA-O 3.28Å; I235-I242 HydrophobicContact CB-CB 4.33Å; I235-I242 HydrophobicContact CD1-CB 4.37Å; I235-I242 HydrophobicContact CD1-CD1 4.5Å; I235-I242 PolarHBondContact N-O 2.82Å; I235-I242 PolarHBondContact O-N 3.02Å; I242-L254 HydrophobicContact CG2-CD2 4.36Å; I242-V256 HydrophobicContact CG1-CG1 4.27Å; I242-V256 HydrophobicContact CG1-CG2 4.29Å; I242-V256 HydrophobicContact CG2-CG2 4.27Å
243Q98.8Very high98.3Very high56 Ų5632.2 Ų32.226%0.26218%0.18SC..EExtended strand (participates in β ladder)trans-108.9138.6172.3-55.1176.5-117.200108.8I234 K241 P245 L254 V255I234-Q243 HydrophobicContact CG1-CG 4.28Å; I234-Q243 HydrophobicContact CG2-CG 4.31Å; K241-Q243 HydrophobicContact CD-CG 4.26Å; K241-Q243 VanDerWaalsContact NZ-OE1 3.14Å; Q243-P245 WeakPolarHBondContact O-CD 3.43Å; Q243-L254 WeakPolarHBondContact O-CA 3.34Å; Q243-V255 HydrophobicContact CB-CB 4.19Å; Q243-V255 PolarHBondContact N-O 3.27Å; Q243-V255 PolarHBondContact O-N 3.4Å
244V98.7Very high98.3Very high1 Ų132.2 Ų32.21%0.00618%0.18CC..EExtended strand (participates in β ladder)trans-11396.9174.6-171.30000106.4I135 F179 D232 A233 M248 P251 L254I135-V244 HydrophobicContact CD1-CG2 3.61Å; F179-V244 HydrophobicContact CE2-CG2 3.96Å; F179-V244 HydrophobicContact CZ-CG2 3.89Å; D232-V244 WeakPolarHBondContact CA-O 3.24Å; D232-V244 WeakPolarHBondContact CB-O 3.27Å; A233-V244 HydrophobicContact CB-CB 4.16Å; A233-V244 HydrophobicContact CB-CG2 4.43Å; A233-V244 PolarHBondContact N-O 3.43Å; A233-V244 PolarHBondContact O-N 3.14Å; V244-M248 HydrophobicContact CG1-CB 4.12Å; V244-P251 HydrophobicContact CG1-CB 3.51Å; V244-P251 HydrophobicContact CG1-CG 4.33Å; V244-L254 HydrophobicContact CB-CD2 4.49Å; V244-L254 HydrophobicContact CG1-CD2 4.44Å; V244-L254 HydrophobicContact CG2-CD2 3.88Å
245P98.3Very high98.3Very high40 Ų4032 Ų3226%0.2618%0.18SC..PPolyproline II helixtrans-60.7163.3178.6-23.536.2000112.1Q243 P247 S253 V255Q243-P245 WeakPolarHBondContact O-CD 3.43Å; P245-P247 CarbonylContact O-C 3.57Å; P245-S253 WeakPolarHBondContact CG-OG 3.28Å; P245-V255 HydrophobicContact CG-CG2 4.14Å
246S97.4Very high98.3Very high63 Ų6333 Ų3344%0.44119%0.186SC..SBendtrans-61138.7174.4-175.60000111.8H230 N231H230-S246 VanDerWaalsContact O-CB 3.32Å; H230-S246 WeakPolarHBondContact O-CB 3.41Å; N231-S246 WeakPolarHBondContact CB-OG 3.31Å; N231-S246 VanDerWaalsContact O-CA 3.29Å; N231-S246 WeakPolarHBondContact O-CA 3.38Å
247P97.4Very high98.1Very high21 Ų2133.6 Ų33.614%0.13619%0.188CC..PPolyproline II helixcis-88.7117.7-0.932-33.2000113.7P245 W249 C250 T275P245-P247 CarbonylContact O-C 3.57Å; P247-W249 HydrophobicContact CB-CD2 3.86Å; P247-W249 HydrophobicContact CB-CE3 3.88Å; P247-W249 HydrophobicContact CB-CH2 3.41Å; P247-W249 VanDerWaalsContact CB-CH2 3.41Å; P247-W249 HydrophobicContact CB-CZ2 3.36Å; P247-W249 HydrophobicContact CB-CZ3 3.68Å; P247-W249 HydrophobicContact CG-CZ2 4.44Å; P247-W249 PolarHBondContact O-N 2.7Å; P247-W249 VanDerWaalsContact O-N 3.14Å; P247-C250 WeakPolarHBondContact CG-SG 3.08Å; P247-C250 CarbonylContact O-C 3.57Å; P247-C250 VanDerWaalsContact O-C 3.31Å; P247-C250 PolarHBondContact O-N 3.33Å; P247-C250 VanDerWaalsContact O-N 3.09Å; P247-T275 HydrophobicContact CG-CG2 4.25Å
248M97.7Very high97.9Very high1 Ų142.4 Ų42.41%0.00522%0.223CC..THydrogen-bonded Turntrans-64.4-22.5-17571.882-177.600115Y154 F175 C176 N231 A233 V244 C250 P251Y154-M248 HydrophobicContact CD1-CE 3.9Å; Y154-M248 HydrophobicContact CG-CE 4.06Å; F175-M248 HydrophobicContact CB-CE 3.8Å; C176-M248 VanDerWaalsContact SG-CE 3.53Å; N231-M248 WeakPolarHBondContact O-CB 3.32Å; N231-M248 WeakPolarHBondContact O-CG 3.4Å; N231-M248 PolarHBondContact O-N 2.75Å; A233-M248 HydrophobicContact CB-CB 4.14Å; A233-M248 HydrophobicContact CB-CG 4.46Å; V244-M248 HydrophobicContact CG1-CB 4.12Å; M248-C250 VanDerWaalsContact C-N 3.34Å; M248-P251 WeakPolarHBondContact O-CD 3.45Å
249W97.5Very high97.8Very high26 Ų2645.6 Ų45.610%0.09823%0.229CC..THydrogen-bonded Turntrans-79.2-16.2178.166.388.8000113.3T126 Y154 F175 N231 P247T126-W249 WeakPolarHBondContact CB-O 3.48Å; T126-W249 WeakPolarHBondContact CG2-O 3.49Å; T126-W249 PolarHBondContact OG1-O 3.27Å; Y154-W249 HydrophobicContact CD1-CB 4.49Å; Y154-W249 HydrophobicContact CD1-CD2 4.36Å; Y154-W249 AromaticContact CD1-CE3 3.88Å; Y154-W249 HydrophobicContact CD1-CE3 3.88Å; Y154-W249 HydrophobicContact CD1-CZ3 4.5Å; Y154-W249 AromaticContact CD2-CE3 3.7Å; Y154-W249 HydrophobicContact CD2-CE3 3.7Å; Y154-W249 HydrophobicContact CD2-CH2 4.29Å; Y154-W249 AromaticContact CD2-CZ3 3.48Å; Y154-W249 HydrophobicContact CD2-CZ3 3.48Å; Y154-W249 VanDerWaalsContact CD2-CZ3 3.48Å; Y154-W249 HydrophobicContact CE1-CB 4Å; Y154-W249 AromaticContact CE1-CD2 3.58Å; Y154-W249 HydrophobicContact CE1-CD2 3.58Å; Y154-W249 AromaticContact CE1-CE3 3.5Å; Y154-W249 HydrophobicContact CE1-CE3 3.5Å; Y154-W249 VanDerWaalsContact CE1-CE3 3.5Å; Y154-W249 AromaticContact CE1-CG 3.79Å; Y154-W249 HydrophobicContact CE1-CG 3.79Å; Y154-W249 HydrophobicContact CE1-CZ3 4.15Å; Y154-W249 AromaticContact CE2-CD2 3.91Å; Y154-W249 HydrophobicContact CE2-CD2 3.91Å; Y154-W249 AromaticContact CE2-CE3 3.32Å; Y154-W249 HydrophobicContact CE2-CE3 3.32Å; Y154-W249 AromaticContact CE2-CH2 3.49Å; Y154-W249 HydrophobicContact CE2-CH2 3.49Å; Y154-W249 VanDerWaalsContact CE2-CH2 3.49Å; Y154-W249 HydrophobicContact CE2-CZ2 4.06Å; Y154-W249 AromaticContact CE2-CZ3 3.05Å; Y154-W249 HydrophobicContact CE2-CZ3 3.05Å; Y154-W249 AromaticContact CG-CE3 3.99Å; Y154-W249 HydrophobicContact CG-CE3 3.99Å; Y154-W249 HydrophobicContact CG-CZ3 4.22Å; Y154-W249 AromaticContact CZ-CD2 3.32Å; Y154-W249 AromaticContact CZ-CE2 3.68Å; Y154-W249 AromaticContact CZ-CE3 3.21Å; Y154-W249 AromaticContact CZ-CG 3.96Å; Y154-W249 AromaticContact CZ-CH2 3.83Å; Y154-W249 AromaticContact CZ-CZ2 3.94Å; Y154-W249 AromaticContact CZ-CZ3 3.44Å; Y154-W249 VanDerWaalsContact CZ-CZ3 3.44Å; Y154-W249 VanDerWaalsContact OH-CD2 3.28Å; Y154-W249 WeakPolarHBondContact OH-CZ2 3.22Å; F175-W249 HydrophobicContact CB-CB 4.12Å; F175-W249 HydrophobicContact CD1-CB 3.51Å; F175-W249 HydrophobicContact CD2-CB 4.23Å; F175-W249 HydrophobicContact CE1-CB 3.86Å; F175-W249 HydrophobicContact CE2-CB 4.48Å; F175-W249 HydrophobicContact CG-CB 3.7Å; F175-W249 HydrophobicContact CZ-CB 4.3Å; N231-W249 HydrophobicContact CB-CH2 4.3Å; N231-W249 HydrophobicContact CB-CZ3 3.64Å; N231-W249 WeakPolarHBondContact ND2-CH2 3.38Å; N231-W249 VanDerWaalsContact ND2-CZ3 3.34Å; N231-W249 WeakPolarHBondContact ND2-CZ3 3.2Å; P247-W249 HydrophobicContact CB-CD2 3.86Å; P247-W249 HydrophobicContact CB-CE3 3.88Å; P247-W249 HydrophobicContact CB-CH2 3.41Å; P247-W249 VanDerWaalsContact CB-CH2 3.41Å; P247-W249 HydrophobicContact CB-CZ2 3.36Å; P247-W249 HydrophobicContact CB-CZ3 3.68Å; P247-W249 HydrophobicContact CG-CZ2 4.44Å; P247-W249 PolarHBondContact O-N 2.7Å; P247-W249 VanDerWaalsContact O-N 3.14Å
250C98.3Very high97.8Very high0 Ų044.1 Ų44.10%022%0.224CC..SBendtrans-140.363.6174.253.50000110.6W125 F129 P247 M248 T252 T275 N276W125-C250 HydrophobicContact CH2-CB 4.07Å; W125-C250 HydrophobicContact CZ2-CB 4.41Å; W125-C250 HydrophobicContact CZ3-CB 4.32Å; F129-C250 HydrophobicContact CE1-CB 3.9Å; F129-C250 HydrophobicContact CE2-CB 4.05Å; F129-C250 HydrophobicContact CZ-CB 3.44Å; F129-C250 VanDerWaalsContact CZ-CB 3.44Å; P247-C250 WeakPolarHBondContact CG-SG 3.08Å; P247-C250 CarbonylContact O-C 3.57Å; P247-C250 VanDerWaalsContact O-C 3.31Å; P247-C250 PolarHBondContact O-N 3.33Å; P247-C250 VanDerWaalsContact O-N 3.09Å; M248-C250 VanDerWaalsContact C-N 3.34Å; C250-T252 PolarHBondContact O-N 3.18Å; C250-T275 PolarHBondContact SG-O 2.87Å; C250-T275 VanDerWaalsContact SG-O 3.37Å; C250-N276 HydrophobicContact CB-CB 3.89Å; C250-N276 PolarHBondContact O-ND2 2.92Å; C250-N276 VanDerWaalsContact O-ND2 3.1Å
251P98.4Very high97.8Very high2 Ų245.9 Ų45.91%0.01323%0.232CC..  trans-73.6126.5-162.529.7-34.8000112.3F129 A131 V244 M248F129-P251 HydrophobicContact CB-CG 4.07Å; F129-P251 VanDerWaalsContact CD1-O 3.27Å; F129-P251 WeakPolarHBondContact CD1-O 3.41Å; F129-P251 HydrophobicContact CG-CG 4.34Å; A131-P251 HydrophobicContact CB-CB 4.04Å; A131-P251 HydrophobicContact CB-CG 4.09Å; A131-P251 WeakPolarHBondContact CB-O 3.17Å; V244-P251 HydrophobicContact CG1-CB 3.51Å; V244-P251 HydrophobicContact CG1-CG 4.33Å; M248-P251 WeakPolarHBondContact O-CD 3.45Å
252T98.5Very high97.8Very high32 Ų3247 Ų4720%0.19624%0.238CC..  trans-111.84.8176.752.80000112.8C250 Q262 Y263 V265C250-T252 PolarHBondContact O-N 3.18Å; T252-Q262 CarbonylContact O-C 3.52Å; T252-Q262 PolarHBondContact O-OE1 2.85Å; T252-Y263 WeakPolarHBondContact CA-O 3.4Å; T252-Y263 WeakPolarHBondContact CB-O 3.5Å; T252-Y263 CarbonylContact O-C 3.31Å; T252-Y263 WeakPolarHBondContact O-CA 3.4Å; T252-Y263 PolarHBondContact O-N 3.29Å; T252-V265 HydrophobicContact CG2-CG1 4.08Å
253S98.5Very high97.8Very high10 Ų1049.2 Ų49.27%0.0725%0.247CC..EExtended strand (participates in β ladder)trans-151.6159.9174.775.90000111.7P245 T261 Q262P245-S253 WeakPolarHBondContact CG-OG 3.28Å; S253-T261 CarbonylContact C-O 3.56Å; S253-T261 VanDerWaalsContact CA-O 3.22Å; S253-T261 WeakPolarHBondContact CA-O 3.45Å; S253-Q262 VanDerWaalsContact CB-OE1 3.24Å
254L98.6Very high97.7Very high1 Ų151.4 Ų51.41%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-135.6144.7170.7-62.2177.4000109.5A131 Q134 I135 I242 Q243 V244 V256 E260 T261 Y263A131-L254 HydrophobicContact CB-CD1 4.37Å; A131-L254 HydrophobicContact CB-CD2 4.06Å; A131-L254 HydrophobicContact CB-CG 3.96Å; A131-L254 WeakPolarHBondContact O-CD1 3.38Å; Q134-L254 HydrophobicContact CB-CD1 3.96Å; Q134-L254 HydrophobicContact CG-CD1 4.04Å; I135-L254 HydrophobicContact CD1-CD2 3.78Å; I135-L254 HydrophobicContact CG1-CD1 3.96Å; I135-L254 HydrophobicContact CG1-CD2 3.79Å; I242-L254 HydrophobicContact CG2-CD2 4.36Å; Q243-L254 WeakPolarHBondContact O-CA 3.34Å; V244-L254 HydrophobicContact CB-CD2 4.49Å; V244-L254 HydrophobicContact CG1-CD2 4.44Å; V244-L254 HydrophobicContact CG2-CD2 3.88Å; L254-V256 HydrophobicContact CB-CG2 4.33Å; L254-E260 CarbonylContact O-C 3.59Å; L254-E260 VanDerWaalsContact O-CA 3.27Å; L254-E260 WeakPolarHBondContact O-CA 3.46Å; L254-T261 PolarHBondContact N-O 3.13Å; L254-T261 PolarHBondContact O-N 2.71Å; L254-Y263 HydrophobicContact CB-CE2 4.39Å; L254-Y263 HydrophobicContact CD1-CE2 4.03Å; L254-Y263 HydrophobicContact CG-CE2 3.99Å
255V98.7Very high97.7Very high26 Ų2652.6 Ų52.616%0.15827%0.273CS..EExtended strand (participates in β ladder)trans-114.7108.4167-176.30000108.9Q243 P245 K259 E260Q243-V255 HydrophobicContact CB-CB 4.19Å; Q243-V255 PolarHBondContact N-O 3.27Å; Q243-V255 PolarHBondContact O-N 3.4Å; P245-V255 HydrophobicContact CG-CG2 4.14Å; V255-K259 CarbonylContact C-O 3.54Å; V255-K259 WeakPolarHBondContact CA-O 2.97Å; V255-E260 HydrophobicContact CG2-CB 4.16Å; V255-E260 HydrophobicContact CG2-CG 4.07Å
256V98.3Very high97.6Very high21 Ų2152.7 Ų52.713%0.12727%0.274CS..EExtended strand (participates in β ladder)trans-109.6116-178.7-173.50000108.4L138 Y143 I242 L254 K258 K259L138-V256 HydrophobicContact CD1-CG1 4.26Å; L138-V256 HydrophobicContact CD1-CG2 3.73Å; Y143-V256 HydrophobicContact CD1-CG1 3.94Å; Y143-V256 HydrophobicContact CE1-CG1 3.59Å; I242-V256 HydrophobicContact CG1-CG1 4.27Å; I242-V256 HydrophobicContact CG1-CG2 4.29Å; I242-V256 HydrophobicContact CG2-CG2 4.27Å; L254-V256 HydrophobicContact CB-CG2 4.33Å; V256-K258 PolarHBondContact O-N 2.74Å; V256-K258 VanDerWaalsContact O-N 3.15Å; V256-K259 PolarHBondContact N-O 2.86Å; V256-K259 WeakPolarHBondContact O-CB 3.39Å; V256-K259 PolarHBondContact O-N 3.14Å
257N94.1Very high97.6Very high71 Ų7157.7 Ų57.738%0.3829%0.29SS..THydrogen-bonded Turntrans45.945.6-176.6-67.5-13.9000113.5G240 K241 K259G240-N257 WeakPolarHBondContact CA-OD1 3.34Å; K241-N257 PolarHBondContact N-OD1 3.21Å; K241-N257 PolarHBondContact O-N 3.43Å; K241-N257 VanDerWaalsContact O-N 3.15Å; K241-N257 PolarHBondContact O-OD1 3.03Å; N257-K259 VanDerWaalsContact C-N 3.28Å; N257-K259 PolarHBondContact O-N 3.07Å
258K94.1Very high97.6Very high195 Ų19558.8 Ų58.885%0.84830%0.298SS*.THydrogen-bonded Turntrans72.62.1-178-48.4175.3179.3178.10116.1V256V256-K258 PolarHBondContact O-N 2.74Å; V256-K258 VanDerWaalsContact O-N 3.15Å
259K97.5Very high97.5Very high152 Ų15262.1 Ų62.166%0.66132%0.321SS*.EExtended strand (participates in β ladder)trans-95.3121171.5-174.8178.5178.5-178.40110V255 V256 N257V255-K259 CarbonylContact C-O 3.54Å; V255-K259 WeakPolarHBondContact CA-O 2.97Å; V256-K259 PolarHBondContact N-O 2.86Å; V256-K259 WeakPolarHBondContact O-CB 3.39Å; V256-K259 PolarHBondContact O-N 3.14Å; N257-K259 VanDerWaalsContact C-N 3.28Å; N257-K259 PolarHBondContact O-N 3.07Å
260E98.2Very high97.5Very high108 Ų10863.2 Ų63.251%0.50533%0.328SS..EExtended strand (participates in β ladder)trans-86.2145.8176.3-169.4167.8-162.500111.7L254 V255 Q262L254-E260 CarbonylContact O-C 3.59Å; L254-E260 VanDerWaalsContact O-CA 3.27Å; L254-E260 WeakPolarHBondContact O-CA 3.46Å; V255-E260 HydrophobicContact CG2-CB 4.16Å; V255-E260 HydrophobicContact CG2-CG 4.07Å; E260-Q262 PolarHBondContact OE1-NE2 3.23Å
261T98.6Very high97.5Very high55 Ų5568.5 Ų68.534%0.33736%0.362SS..EExtended strand (participates in β ladder)trans-140.2134.6170.9-57.30000109S253 L254 Y263S253-T261 CarbonylContact C-O 3.56Å; S253-T261 VanDerWaalsContact CA-O 3.22Å; S253-T261 WeakPolarHBondContact CA-O 3.45Å; L254-T261 PolarHBondContact N-O 3.13Å; L254-T261 PolarHBondContact O-N 2.71Å; T261-Y263 HydrophobicContact CG2-CE1 4.31Å; T261-Y263 HydrophobicContact CG2-CE2 3.86Å; T261-Y263 WeakPolarHBondContact CG2-OH 3.21Å
262Q98.3Very high97.5Very high106 Ų10670.8 Ų70.850%0.49537%0.374SS..EExtended strand (participates in β ladder)trans-101147.4-177.5-59.7-64.3-27.300111.1T252 S253 E260T252-Q262 CarbonylContact O-C 3.52Å; T252-Q262 PolarHBondContact O-OE1 2.85Å; S253-Q262 VanDerWaalsContact CB-OE1 3.24Å; E260-Q262 PolarHBondContact OE1-NE2 3.23Å
263Y98.2Very high97.5Very high46 Ų4672.6 Ų72.618%0.1838%0.383CS..  trans-138.372179.7-57-84.9000108.1P130 A131 Q134 T252 L254 T261P130-Y263 HydrophobicContact CB-CD1 3.66Å; P130-Y263 HydrophobicContact CB-CE1 4.44Å; P130-Y263 HydrophobicContact CB-CG 4.17Å; A131-Y263 HydrophobicContact CB-CD2 3.73Å; A131-Y263 HydrophobicContact CB-CE2 4.21Å; A131-Y263 HydrophobicContact CB-CG 4.22Å; Q134-Y263 WeakPolarHBondContact CG-OH 3.34Å; T252-Y263 WeakPolarHBondContact CA-O 3.4Å; T252-Y263 WeakPolarHBondContact CB-O 3.5Å; T252-Y263 CarbonylContact O-C 3.31Å; T252-Y263 WeakPolarHBondContact O-CA 3.4Å; T252-Y263 PolarHBondContact O-N 3.29Å; L254-Y263 HydrophobicContact CB-CE2 4.39Å; L254-Y263 HydrophobicContact CD1-CE2 4.03Å; L254-Y263 HydrophobicContact CG-CE2 3.99Å; T261-Y263 HydrophobicContact CG2-CE1 4.31Å; T261-Y263 HydrophobicContact CG2-CE2 3.86Å; T261-Y263 WeakPolarHBondContact CG2-OH 3.21Å
264P97.2Very high97.4Very high102 Ų10275.2 Ų75.266%0.66239%0.393SS*.PPolyproline II helixtrans-61.8148.2-175.927.3-34.9000111.2
265V97.3Very high97.3Very high27 Ų2779 Ų7916%0.16442%0.416CS..PPolyproline II helixtrans-87.1151.9168.5-69.20000110.1F129 T252 N276 T278 Y282F129-V265 HydrophobicContact CD1-CG1 4.47Å; F129-V265 HydrophobicContact CE1-CG1 3.85Å; T252-V265 HydrophobicContact CG2-CG1 4.08Å; V265-N276 HydrophobicContact CG1-CB 4.47Å; V265-N276 HydrophobicContact CG2-CB 4.27Å; V265-T278 WeakPolarHBondContact CB-OG1 3.37Å; V265-T278 WeakPolarHBondContact CG2-OG1 3.33Å; V265-Y282 HydrophobicContact CG1-CE2 4.25Å
266P96.1Very high97.3Very high41 Ų4179.5 Ų79.527%0.26642%0.418SS..PPolyproline II helixtrans-61.7151.5173.5-19.830.8000112.4T23 T278 R281T23-P266 HydrophobicContact CG2-CB 4.37Å; P266-T278 VanDerWaalsContact O-CB 3.32Å; P266-T278 WeakPolarHBondContact O-CB 3.34Å; P266-T278 WeakPolarHBondContact O-CG2 3.3Å; P266-T278 PolarHBondContact O-OG1 3.23Å; P266-R281 VanDerWaalsContact CG-NH1 3.28Å
267E97.1Very high97.3Very high168 Ų16878.5 Ų78.579%0.78541%0.412SS*.PPolyproline II helixtrans-65.9136.5173.7-68.7-58.3144.300111.4
268P97.5Very high97.5Very high45 Ų4575.2 Ų75.229%0.29240%0.395SS..PPolyproline II helixtrans-79.2146.5-179.932.5-34.7000111.9V19 L270 L272 T278V19-P268 HydrophobicContact CG1-CB 3.75Å; P268-L270 VanDerWaalsContact C-N 3.27Å; P268-L270 WeakPolarHBondContact CB-O 3.4Å; P268-L270 PolarHBondContact O-N 3.4Å; P268-L272 HydrophobicContact CB-CD1 4Å; P268-L272 HydrophobicContact CB-CD2 4.08Å; P268-L272 HydrophobicContact CB-CG 3.87Å; P268-L272 HydrophobicContact CG-CD1 4.02Å; P268-L272 HydrophobicContact CG-CG 4.09Å; P268-T278 HydrophobicContact CB-CG2 3.57Å; P268-T278 HydrophobicContact CG-CG2 4.41Å
269S96.6Very high97.7Very high71 Ų7166 Ų6650%0.49735%0.354SS..SBendtrans-76-14.2173.569.50000113.8
270L97.6Very high97.7Very high49 Ų4958.8 Ų58.826%0.25732%0.323SS..SBendtrans-144.8154.4179.9-67.7175.3000109.7V19 P268 L272V19-L270 HydrophobicContact CG1-CB 4.5Å; V19-L270 HydrophobicContact CG2-CB 3.81Å; V19-L270 HydrophobicContact CG2-CD1 4.2Å; V19-L270 HydrophobicContact CG2-CG 4.47Å; P268-L270 VanDerWaalsContact C-N 3.27Å; P268-L270 WeakPolarHBondContact CB-O 3.4Å; P268-L270 PolarHBondContact O-N 3.4Å; L270-L272 PolarHBondContact O-N 3.19Å
271P98.1Very high97.8Very high110 Ų11056 Ų5671%0.71431%0.308SS*.  trans-57132.5177.8-24.434.1000112.8H15H15-P271 PolarHBondContact NE2-O 2.9Å; H15-P271 VanDerWaalsContact NE2-O 3.09Å
272L98.2Very high97.8Very high50 Ų5055.6 Ų55.626%0.26230%0.301SS..  trans-87.6152.1179.3-60.9170000111.6V19 P268 L270 T278V19-L272 HydrophobicContact CB-CD2 4.02Å; V19-L272 HydrophobicContact CG1-CD2 3.8Å; P268-L272 HydrophobicContact CB-CD1 4Å; P268-L272 HydrophobicContact CB-CD2 4.08Å; P268-L272 HydrophobicContact CB-CG 3.87Å; P268-L272 HydrophobicContact CG-CD1 4.02Å; P268-L272 HydrophobicContact CG-CG 4.09Å; L270-L272 PolarHBondContact O-N 3.19Å; L272-T278 HydrophobicContact CD1-CG2 4.05Å; L272-T278 HydrophobicContact CD2-CG2 4.49Å
273N98Very high97.8Very high71 Ų7150.5 Ų50.538%0.3828%0.277SS..SBendtrans-87.8-28.4173.2-64.4-86.3000112.7K12 H15 D16K12-N273 HydrophobicContact CB-CB 3.98Å; K12-N273 HydrophobicContact CD-CB 4.37Å; K12-N273 HydrophobicContact CG-CB 4.43Å; K12-N273 PolarHBondContact O-ND2 2.78Å; H15-N273 PolarHBondContact CD2-ND2 3.4Å; H15-N273 VanDerWaalsContact CD2-ND2 3.25Å; D16-N273 WeakPolarHBondContact OD1-CB 3.16Å; D16-N273 PolarHBondContact OD1-N 2.91Å; D16-N273 PolarHBondContact OD1-ND2 2.96Å; D16-N273 PolarHBondContact OD2-N 2.86Å; D16-N273 VanDerWaalsContact OD2-N 3.13Å
274F97Very high97.8Very high64 Ų6448.3 Ų48.328%0.28127%0.269SS..SBendtrans-126148.9-179.3-49.4-77.9000112.1K12 I13 D16 N276 S277K12-F274 HydrophobicContact CB-CE2 3.99Å; K12-F274 HydrophobicContact CB-CZ 4.23Å; I13-F274 HydrophobicContact CB-CE2 4.17Å; I13-F274 HydrophobicContact CD1-CD2 3.62Å; I13-F274 HydrophobicContact CD1-CE2 3.69Å; D16-F274 WeakPolarHBondContact OD2-CD2 3.28Å; D16-F274 PolarHBondContact OD2-N 3.32Å; F274-N276 PolarHBondContact O-N 3.46Å; F274-S277 WeakPolarHBondContact CB-OG 3.48Å; F274-S277 WeakPolarHBondContact O-CB 3.34Å; F274-S277 PolarHBondContact O-N 3.16Å; F274-S277 PolarHBondContact O-OG 3.07Å
275T96.8Very high97.9Very high80 Ų8045.8 Ų45.849%0.49125%0.248SC..THydrogen-bonded Turntrans-57.8130.5-177.4-53.20000111.7P247 C250 S277P247-T275 HydrophobicContact CG-CG2 4.25Å; C250-T275 PolarHBondContact SG-O 2.87Å; C250-T275 VanDerWaalsContact SG-O 3.37Å; T275-S277 PolarHBondContact O-N 3Å
276N98.1Very high98Very high38 Ų3846.1 Ų46.120%0.20325%0.247CC..THydrogen-bonded Turntrans56.225.8178.3-57.5-14.5000114.3C250 V265 F274 T278 G279C250-N276 HydrophobicContact CB-CB 3.89Å; C250-N276 PolarHBondContact O-ND2 2.92Å; C250-N276 VanDerWaalsContact O-ND2 3.1Å; V265-N276 HydrophobicContact CG1-CB 4.47Å; V265-N276 HydrophobicContact CG2-CB 4.27Å; F274-N276 PolarHBondContact O-N 3.46Å; N276-T278 PolarHBondContact O-N 2.86Å; N276-T278 VanDerWaalsContact O-N 3.07Å; N276-G279 PolarHBondContact O-N 3.45Å
277S98.3Very high98.1Very high0 Ų044.1 Ų44.10%024%0.235CC..G310 helixtrans-57-21.5179.2-87.10000115.1D16 F274 T275 G279 K280D16-S277 WeakPolarHBondContact OD2-CB 3.32Å; D16-S277 PolarHBondContact OD2-OG 2.73Å; F274-S277 WeakPolarHBondContact CB-OG 3.48Å; F274-S277 WeakPolarHBondContact O-CB 3.34Å; F274-S277 PolarHBondContact O-N 3.16Å; F274-S277 PolarHBondContact O-OG 3.07Å; T275-S277 PolarHBondContact O-N 3Å; S277-G279 PolarHBondContact O-N 3.32Å; S277-G279 VanDerWaalsContact O-N 3.16Å; S277-K280 WeakPolarHBondContact O-CB 3.45Å; S277-K280 WeakPolarHBondContact O-CG 3.47Å; S277-K280 PolarHBondContact O-N 2.78Å
278T98.3Very high98.2Very high2 Ų237.6 Ų37.61%0.01220%0.203CC..G310 helixtrans-59-23.2169.641.80000112.9T23 V265 P266 P268 L272 N276 K280 R281T23-T278 HydrophobicContact CG2-CG2 4.2Å; V265-T278 WeakPolarHBondContact CB-OG1 3.37Å; V265-T278 WeakPolarHBondContact CG2-OG1 3.33Å; P266-T278 VanDerWaalsContact O-CB 3.32Å; P266-T278 WeakPolarHBondContact O-CB 3.34Å; P266-T278 WeakPolarHBondContact O-CG2 3.3Å; P266-T278 PolarHBondContact O-OG1 3.23Å; P268-T278 HydrophobicContact CB-CG2 3.57Å; P268-T278 HydrophobicContact CG-CG2 4.41Å; L272-T278 HydrophobicContact CD1-CG2 4.05Å; L272-T278 HydrophobicContact CD2-CG2 4.49Å; N276-T278 PolarHBondContact O-N 2.86Å; N276-T278 VanDerWaalsContact O-N 3.07Å; T278-K280 PolarHBondContact O-N 3.1Å; T278-R281 WeakPolarHBondContact O-CB 3.27Å; T278-R281 WeakPolarHBondContact O-CG 3.46Å; T278-R281 PolarHBondContact O-N 3.27Å; T278-R281 VanDerWaalsContact O-N 3.14Å
279G98.6Very high98.3Very high0 Ų038.4 Ų38.40%020%0.203CC..G310 helixtrans-62.8-15.5172.100000114.6N276 S277 R281 Y282N276-G279 PolarHBondContact O-N 3.45Å; S277-G279 PolarHBondContact O-N 3.32Å; S277-G279 VanDerWaalsContact O-N 3.16Å; G279-R281 PolarHBondContact O-N 3.31Å; G279-R281 VanDerWaalsContact O-N 3.07Å; G279-Y282 WeakPolarHBondContact O-CB 3.29Å; G279-Y282 WeakPolarHBondContact O-CD2 3.43Å; G279-Y282 PolarHBondContact O-N 2.87Å
280K98.8Very high98.4Very high1 Ų135.2 Ų35.20%0.00418%0.18CC..Hα-helixtrans-61.1-15.2170.3-67.6-172.7153.4-64.60113.5I13 F17 A20 E96 W125 S277 T278 Y282 E283 A284I13-K280 HydrophobicContact CD1-CD 4.5Å; I13-K280 VanDerWaalsContact CD1-CE 3.45Å; F17-K280 HydrophobicContact CB-CD 4.22Å; F17-K280 HydrophobicContact CD2-CB 3.95Å; F17-K280 HydrophobicContact CD2-CD 4.16Å; A20-K280 HydrophobicContact CB-CB 3.8Å; E96-K280 WeakPolarHBondContact OE1-CE 3.15Å; E96-K280 IonicContact OE1-NZ 3.72Å; E96-K280 PolarHBondContact OE1-NZ 3.38Å; E96-K280 IonicContact OE2-NZ 2.95Å; W125-K280 HydrophobicContact CD2-CG 4.12Å; W125-K280 HydrophobicContact CE3-CB 4.45Å; W125-K280 HydrophobicContact CE3-CD 4.34Å; W125-K280 HydrophobicContact CE3-CG 3.35Å; W125-K280 HydrophobicContact CZ3-CG 3.77Å; S277-K280 WeakPolarHBondContact O-CB 3.45Å; S277-K280 WeakPolarHBondContact O-CG 3.47Å; S277-K280 PolarHBondContact O-N 2.78Å; T278-K280 PolarHBondContact O-N 3.1Å; K280-Y282 PolarHBondContact O-N 2.55Å; K280-E283 HydrophobicContact CB-CG 4.46Å; K280-E283 WeakPolarHBondContact CG-OE1 3.34Å; K280-E283 IonicContact NZ-OE1 3.33Å; K280-E283 PolarHBondContact NZ-OE1 3.18Å; K280-E283 WeakPolarHBondContact O-CG 3.41Å; K280-E283 PolarHBondContact O-N 2.71Å; K280-A284 PolarHBondContact O-N 3.2Å
281R98.8Very high98.4Very high51 Ų5134.7 Ų34.719%0.19218%0.178CC..Hα-helixtrans-56.5-31.3170.173.1178-73.9152.3-5.3112.6T23 L24 P266 T278 G279 A284 E285T23-R281 PolarHBondContact O-NH1 2.75Å; T23-R281 PolarHBondContact O-NH2 2.7Å; T23-R281 WeakPolarHBondContact OG1-CD 3.41Å; T23-R281 PolarHBondContact OG1-NH1 3.05Å; L24-R281 HydrophobicContact CD1-CB 4.08Å; L24-R281 HydrophobicContact CD2-CB 4.27Å; L24-R281 HydrophobicContact CG-CB 4.06Å; P266-R281 VanDerWaalsContact CG-NH1 3.28Å; T278-R281 WeakPolarHBondContact O-CB 3.27Å; T278-R281 WeakPolarHBondContact O-CG 3.46Å; T278-R281 PolarHBondContact O-N 3.27Å; T278-R281 VanDerWaalsContact O-N 3.14Å; G279-R281 PolarHBondContact O-N 3.31Å; G279-R281 VanDerWaalsContact O-N 3.07Å; R281-A284 PolarHBondContact O-N 3.07Å; R281-E285 PolarHBondContact O-N 3.19Å
282Y98.9Very high98.4Very high45 Ų4534.1 Ų34.118%0.17617%0.168CC..Hα-helixtrans-73.1-39.6-173.8-54.3-54.5000111.6F128 F129 P130 V265 G279 K280 E286F128-Y282 VanDerWaalsContact O-CB 3.27Å; F128-Y282 WeakPolarHBondContact O-CB 3.42Å; F129-Y282 HydrophobicContact CD1-CD2 4.28Å; F129-Y282 AromaticContact CD1-CE2 3.99Å; F129-Y282 HydrophobicContact CD1-CE2 3.99Å; F129-Y282 HydrophobicContact CD2-CD2 4.37Å; F129-Y282 HydrophobicContact CE1-CE2 4.28Å; F129-Y282 HydrophobicContact CG-CD2 4.16Å; F129-Y282 HydrophobicContact CG-CE2 4.31Å; P130-Y282 VanDerWaalsContact CD-CE2 3.42Å; P130-Y282 VanDerWaalsContact CD-CZ 3.49Å; P130-Y282 HydrophobicContact CG-CE1 3.96Å; P130-Y282 HydrophobicContact CG-CE2 4.27Å; V265-Y282 HydrophobicContact CG1-CE2 4.25Å; G279-Y282 WeakPolarHBondContact O-CB 3.29Å; G279-Y282 WeakPolarHBondContact O-CD2 3.43Å; G279-Y282 PolarHBondContact O-N 2.87Å; K280-Y282 PolarHBondContact O-N 2.55Å; Y282-E286 PolarHBondContact O-N 3.07Å; Y282-E286 VanDerWaalsContact O-N 3.11Å
283E98.8Very high98.5Very high0 Ų038.7 Ų38.70%019%0.186CC..Hα-helixtrans-70.6-34.1172.259179.4167.900111.9F17 L94 M121 A123 W125 F128 K280 E286 V287F17-E283 HydrophobicContact CE2-CG 4.46Å; L94-E283 HydrophobicContact CD2-CG 4.48Å; M121-E283 HydrophobicContact CE-CB 4.01Å; A123-E283 VanDerWaalsContact CA-OE2 3.24Å; A123-E283 WeakPolarHBondContact CA-OE2 3.41Å; A123-E283 VanDerWaalsContact CB-OE2 3.28Å; A123-E283 WeakPolarHBondContact CB-OE2 3.48Å; W125-E283 WeakPolarHBondContact CA-OE2 3.34Å; W125-E283 HydrophobicContact CB-CG 4.18Å; W125-E283 WeakPolarHBondContact CB-OE1 3.22Å; W125-E283 VanDerWaalsContact CB-OE2 3.29Å; W125-E283 WeakPolarHBondContact CB-OE2 3.41Å; W125-E283 PolarHBondContact N-OE2 3.37Å; F128-E283 HydrophobicContact CB-CB 4.48Å; F128-E283 HydrophobicContact CD2-CB 3.57Å; F128-E283 HydrophobicContact CE2-CB 3.97Å; F128-E283 HydrophobicContact CG-CB 4.08Å; K280-E283 HydrophobicContact CB-CG 4.46Å; K280-E283 WeakPolarHBondContact CG-OE1 3.34Å; K280-E283 IonicContact NZ-OE1 3.33Å; K280-E283 PolarHBondContact NZ-OE1 3.18Å; K280-E283 WeakPolarHBondContact O-CG 3.41Å; K280-E283 PolarHBondContact O-N 2.71Å; E283-E286 PolarHBondContact O-N 3.49Å; E283-V287 WeakPolarHBondContact O-CG2 3.16Å; E283-V287 PolarHBondContact O-N 3.08Å
284A98.9Very high98.5Very high0 Ų037.7 Ų37.70%019%0.192CC..Hα-helixtrans-63.6-42.7173.900000111.9W5 F17 L21 L24 H29 K280 R281 V287 R288W5-A284 HydrophobicContact CH2-CB 4.35Å; W5-A284 HydrophobicContact CZ2-CB 4.05Å; F17-A284 HydrophobicContact CE2-CB 4.12Å; F17-A284 HydrophobicContact CZ-CB 4.01Å; L21-A284 HydrophobicContact CD2-CB 3.51Å; L24-A284 HydrophobicContact CD1-CB 4.07Å; H29-A284 PolarHBondContact CE1-O 3.38Å; K280-A284 PolarHBondContact O-N 3.2Å; R281-A284 PolarHBondContact O-N 3.07Å; A284-V287 PolarHBondContact O-N 3.48Å; A284-R288 PolarHBondContact O-N 3.02Å; A284-R288 VanDerWaalsContact O-N 3.07Å
285E98.8Very high98.6Very high48 Ų4837.9 Ų37.922%0.22420%0.196CC..Hα-helixtrans-63.3-42.5175.3-173.259.5-138.900111.1H29 R281 V287 R288 Q289H29-E285 IonicContact NE2-OE2 2.74Å; H29-E285 PolarHBondContact NE2-OE2 2.88Å; R281-E285 PolarHBondContact O-N 3.19Å; E285-V287 VanDerWaalsContact C-N 3.31Å; E285-V287 PolarHBondContact O-N 2.83Å; E285-R288 PolarHBondContact O-N 3.37Å; E285-R288 VanDerWaalsContact O-N 3.17Å; E285-R288 IonicContact OE1-NH1 3.91Å; E285-R288 PolarHBondContact OE1-NH1 2.97Å; E285-Q289 HydrophobicContact CG-CG 4.34Å; E285-Q289 VanDerWaalsContact O-CG 3.31Å; E285-Q289 WeakPolarHBondContact O-CG 3.42Å; E285-Q289 PolarHBondContact O-N 3.39Å; E285-Q289 PolarHBondContact OE1-NE2 2.87Å
286E98.9Very high98.6Very high34 Ų3438.1 Ų38.116%0.15919%0.19CC..Hα-helixtrans-55.6-47174174.972.4174.400111.6M121 F128 Y282 E283 R288 Q289 C290 S298 P299M121-E286 HydrophobicContact SD-CG 4.07Å; F128-E286 HydrophobicContact CD1-CB 3.79Å; F128-E286 HydrophobicContact CD1-CG 4.05Å; F128-E286 HydrophobicContact CE1-CB 3.69Å; F128-E286 HydrophobicContact CE1-CG 3.43Å; F128-E286 VanDerWaalsContact CE1-CG 3.43Å; F128-E286 HydrophobicContact CZ-CB 4.45Å; F128-E286 HydrophobicContact CZ-CG 4.11Å; Y282-E286 PolarHBondContact O-N 3.07Å; Y282-E286 VanDerWaalsContact O-N 3.11Å; E283-E286 PolarHBondContact O-N 3.49Å; E286-R288 VanDerWaalsContact C-N 3.33Å; E286-R288 PolarHBondContact O-N 3Å; E286-Q289 PolarHBondContact O-N 3.24Å; E286-C290 WeakPolarHBondContact O-CB 3.44Å; E286-C290 PolarHBondContact O-N 3.07Å; E286-C290 PolarHBondContact O-SG 2.98Å; E286-C290 PolarHBondContact OE1-SG 3.16Å; E286-S298 WeakPolarHBondContact OE1-CB 3.45Å; E286-S298 PolarHBondContact OE1-OG 3.16Å; E286-P299 WeakPolarHBondContact OE1-CD 3.4Å
287V98.9Very high98.7Very high0 Ų040 Ų400%020%0.198CC..Hα-helixtrans-56.9-49.2177.4170.60000110.4W5 V69 L94 F119 M121 E283 A284 E285 Q289 C290 L291W5-V287 HydrophobicContact CH2-CB 3.78Å; W5-V287 HydrophobicContact CH2-CG1 3.63Å; W5-V287 HydrophobicContact CH2-CG2 4.08Å; W5-V287 HydrophobicContact CZ2-CB 4.13Å; W5-V287 HydrophobicContact CZ2-CG1 3.99Å; V69-V287 HydrophobicContact CG2-CG1 4.05Å; L94-V287 HydrophobicContact CB-CG2 4.31Å; L94-V287 HydrophobicContact CD1-CG2 4.36Å; L94-V287 HydrophobicContact CD2-CG2 4.08Å; L94-V287 HydrophobicContact CG-CG2 4.48Å; F119-V287 HydrophobicContact CD1-CG1 4.45Å; F119-V287 HydrophobicContact CE1-CB 4.33Å; F119-V287 HydrophobicContact CE1-CG1 3.96Å; F119-V287 HydrophobicContact CE1-CG2 3.87Å; F119-V287 HydrophobicContact CZ-CG2 4.13Å; M121-V287 HydrophobicContact CE-CG2 3.52Å; M121-V287 HydrophobicContact SD-CG2 4.21Å; E283-V287 WeakPolarHBondContact O-CG2 3.16Å; E283-V287 PolarHBondContact O-N 3.08Å; A284-V287 PolarHBondContact O-N 3.48Å; E285-V287 VanDerWaalsContact C-N 3.31Å; E285-V287 PolarHBondContact O-N 2.83Å; V287-Q289 VanDerWaalsContact C-N 3.34Å; V287-Q289 PolarHBondContact O-N 2.74Å; V287-C290 PolarHBondContact O-N 3.05Å; V287-L291 HydrophobicContact CG1-CD1 3.83Å; V287-L291 HydrophobicContact CG1-CG 4.24Å; V287-L291 VanDerWaalsContact O-CG 3.26Å; V287-L291 WeakPolarHBondContact O-CG 3.19Å; V287-L291 PolarHBondContact O-N 2.68Å
288R98.8Very high98.7Very high30 Ų3040 Ų4011%0.11320%0.198CC..Hα-helixtrans-57.3-48177.2173.1172.8179.9-80.80.9111.3T3 D28 H29 A284 E285 E286 C290 L291 L292T3-R288 WeakPolarHBondContact OG1-CG 3.3Å; D28-R288 VanDerWaalsContact CG-CZ 3.41Å; D28-R288 WeakPolarHBondContact O-CD 3.26Å; D28-R288 PolarHBondContact O-NE 2.68Å; D28-R288 IonicContact OD1-CZ 3.34Å; D28-R288 VanDerWaalsContact OD1-CZ 3.27Å; D28-R288 IonicContact OD1-NE 2.76Å; D28-R288 IonicContact OD1-NH2 3.05Å; D28-R288 PolarHBondContact OD1-NH2 3.04Å; D28-R288 IonicContact OD2-CZ 3.62Å; D28-R288 IonicContact OD2-NH1 3.61Å; D28-R288 IonicContact OD2-NH2 2.7Å; H29-R288 WeakPolarHBondContact NE2-CD 3.28Å; A284-R288 PolarHBondContact O-N 3.02Å; A284-R288 VanDerWaalsContact O-N 3.07Å; E285-R288 PolarHBondContact O-N 3.37Å; E285-R288 VanDerWaalsContact O-N 3.17Å; E285-R288 IonicContact OE1-NH1 3.91Å; E285-R288 PolarHBondContact OE1-NH1 2.97Å; E286-R288 VanDerWaalsContact C-N 3.33Å; E286-R288 PolarHBondContact O-N 3Å; R288-C290 VanDerWaalsContact C-N 3.3Å; R288-C290 PolarHBondContact O-N 2.88Å; R288-L291 PolarHBondContact O-N 3.03Å; R288-L292 HydrophobicContact CG-CD1 3.96Å; R288-L292 HydrophobicContact CG-CG 4.33Å; R288-L292 WeakPolarHBondContact O-CB 3.43Å; R288-L292 VanDerWaalsContact O-CG 3.32Å; R288-L292 WeakPolarHBondContact O-CG 3.38Å; R288-L292 PolarHBondContact O-N 3.29Å
289Q98.7Very high98.7Very high63 Ų6344.6 Ų44.629%0.29423%0.228SC..Hα-helixtrans-61.3-38.7179.5-67.6-57.9-38.500112.4E285 E286 V287 K293E285-Q289 HydrophobicContact CG-CG 4.34Å; E285-Q289 VanDerWaalsContact O-CG 3.31Å; E285-Q289 WeakPolarHBondContact O-CG 3.42Å; E285-Q289 PolarHBondContact O-N 3.39Å; E285-Q289 PolarHBondContact OE1-NE2 2.87Å; E286-Q289 PolarHBondContact O-N 3.24Å; V287-Q289 VanDerWaalsContact C-N 3.34Å; V287-Q289 PolarHBondContact O-N 2.74Å; Q289-K293 WeakPolarHBondContact O-CD 3.36Å; Q289-K293 VanDerWaalsContact O-CG 3.3Å; Q289-K293 WeakPolarHBondContact O-CG 3.32Å; Q289-K293 PolarHBondContact O-N 3.4Å
290C98.8Very high98.7Very high3 Ų346.2 Ų46.22%0.0224%0.237CC..Hα-helixtrans-65.3-46.6175.2-70.20000111.9F119 E286 V287 R288 L292 K293 G294 L295F119-C290 HydrophobicContact CD2-CB 3.95Å; F119-C290 HydrophobicContact CE2-CB 3.35Å; F119-C290 HydrophobicContact CZ-CB 4.01Å; E286-C290 WeakPolarHBondContact O-CB 3.44Å; E286-C290 PolarHBondContact O-N 3.07Å; E286-C290 PolarHBondContact O-SG 2.98Å; E286-C290 PolarHBondContact OE1-SG 3.16Å; V287-C290 PolarHBondContact O-N 3.05Å; R288-C290 VanDerWaalsContact C-N 3.3Å; R288-C290 PolarHBondContact O-N 2.88Å; C290-L292 PolarHBondContact O-N 3.19Å; C290-K293 CarbonylContact O-C 3.56Å; C290-K293 PolarHBondContact O-N 3.47Å; C290-G294 PolarHBondContact O-N 2.94Å; C290-G294 VanDerWaalsContact O-N 3.09Å; C290-L295 HydrophobicContact CB-CB 4.09Å; C290-L295 HydrophobicContact CB-CD1 4.38Å; C290-L295 PolarHBondContact O-N 2.88Å
291L98.7Very high98.7Very high39 Ų3946.2 Ų46.220%0.20424%0.237CC..Hα-helixtrans-62.9-42.9179.3-67.5177000112T3 V69 N92 F119 V287 R288 K293 G294T3-L291 HydrophobicContact CG2-CD1 4.03Å; V69-L291 HydrophobicContact CB-CD1 4.22Å; V69-L291 HydrophobicContact CG1-CD1 4.36Å; N92-L291 HydrophobicContact CB-CD2 4.01Å; F119-L291 HydrophobicContact CB-CD2 3.62Å; F119-L291 HydrophobicContact CD1-CD2 4.31Å; F119-L291 HydrophobicContact CG-CD2 3.93Å; V287-L291 HydrophobicContact CG1-CD1 3.83Å; V287-L291 HydrophobicContact CG1-CG 4.24Å; V287-L291 VanDerWaalsContact O-CG 3.26Å; V287-L291 WeakPolarHBondContact O-CG 3.19Å; V287-L291 PolarHBondContact O-N 2.68Å; R288-L291 PolarHBondContact O-N 3.03Å; L291-K293 PolarHBondContact O-N 2.93Å; L291-G294 PolarHBondContact O-N 3.02Å
292L98.5Very high98.6Very high97 Ų9745.1 Ų45.151%0.50824%0.237SC..Hα-helixtrans-60.8-32.5175.8-72.6174.8000112.6R288 C290 G294R288-L292 HydrophobicContact CG-CD1 3.96Å; R288-L292 HydrophobicContact CG-CG 4.33Å; R288-L292 WeakPolarHBondContact O-CB 3.43Å; R288-L292 VanDerWaalsContact O-CG 3.32Å; R288-L292 WeakPolarHBondContact O-CG 3.38Å; R288-L292 PolarHBondContact O-N 3.29Å; C290-L292 PolarHBondContact O-N 3.19Å; L292-G294 VanDerWaalsContact C-N 3.32Å
293K98.6Very high98.6Very high147 Ų14744.5 Ų44.564%0.63924%0.236SC*.THydrogen-bonded Turntrans-86.3-1.1176.1-68.3171-173.51710113.3Q289 C290 L291 L295Q289-K293 WeakPolarHBondContact O-CD 3.36Å; Q289-K293 VanDerWaalsContact O-CG 3.3Å; Q289-K293 WeakPolarHBondContact O-CG 3.32Å; Q289-K293 PolarHBondContact O-N 3.4Å; C290-K293 CarbonylContact O-C 3.56Å; C290-K293 PolarHBondContact O-N 3.47Å; L291-K293 PolarHBondContact O-N 2.93Å; K293-L295 HydrophobicContact CB-CD1 4.34Å; K293-L295 HydrophobicContact CB-CG 3.92Å; K293-L295 HydrophobicContact CD-CD1 4.47Å; K293-L295 PolarHBondContact O-N 3.2Å
294G98.4Very high98.6Very high50 Ų5047.7 Ų47.752%0.51526%0.262SS..THydrogen-bonded Turntrans69.417.6-177.200000114.7C290 L291 L292C290-G294 PolarHBondContact O-N 2.94Å; C290-G294 VanDerWaalsContact O-N 3.09Å; L291-G294 PolarHBondContact O-N 3.02Å; L292-G294 VanDerWaalsContact C-N 3.32Å
295L98.8Very high98.6Very high68 Ų6848.6 Ų48.636%0.35627%0.267SS..  trans-69.8155.9178.6-57.7-178.2000111.2C290 K293C290-L295 HydrophobicContact CB-CB 4.09Å; C290-L295 HydrophobicContact CB-CD1 4.38Å; C290-L295 PolarHBondContact O-N 2.88Å; K293-L295 HydrophobicContact CB-CD1 4.34Å; K293-L295 HydrophobicContact CB-CG 3.92Å; K293-L295 HydrophobicContact CD-CD1 4.47Å; K293-L295 PolarHBondContact O-N 3.2Å
296K98.7Very high98.6Very high85 Ų8546.4 Ų46.437%0.3726%0.257SS..SBendtrans-108.8-6.3179.6-55.9-60.8171175.90113.9N117 F119 L120N117-K296 PolarHBondContact O-NZ 2.91Å; N117-K296 WeakPolarHBondContact OD1-CE 3.5Å; F119-K296 WeakPolarHBondContact CA-O 3.35Å; L120-K296 PolarHBondContact N-O 3.45Å; L120-K296 VanDerWaalsContact N-O 3.09Å
297E98.7Very high98.6Very high77 Ų7747 Ų4736%0.3626%0.261SS..SBendtrans-153.6163.1175.164.5-172.6122.800108.7P302 H303E297-P302 WeakPolarHBondContact OE2-CA 3.47Å; E297-P302 WeakPolarHBondContact OE2-CB 3.41Å; E297-H303 WeakPolarHBondContact CB-NE2 3.34Å; E297-H303 IonicContact OE2-CD2 3.31Å; E297-H303 IonicContact OE2-CG 3.71Å; E297-H303 PolarHBondContact OE2-N 2.86Å
298S98.8Very high98.6Very high0 Ų047.7 Ų47.70%027%0.265CS..  trans-82.1136.1173.6166.30000110.2M121 E286 V300 M301 P302M121-S298 WeakPolarHBondContact SD-CB 3.47Å; E286-S298 WeakPolarHBondContact OE1-CB 3.45Å; E286-S298 PolarHBondContact OE1-OG 3.16Å; S298-V300 PolarHBondContact O-N 3.26Å; S298-V300 PolarHBondContact OG-N 3.48Å; S298-M301 CarbonylContact O-C 3.57Å; S298-M301 PolarHBondContact O-N 2.73Å; S298-M301 PolarHBondContact OG-N 2.96Å; S298-M301 VanDerWaalsContact OG-N 3.17Å; S298-P302 VanDerWaalsContact O-CA 3.26Å; S298-P302 WeakPolarHBondContact O-CA 3.21Å
299P98.2Very high98.6Very high99 Ų9946.3 Ų46.364%0.64326%0.259SS*.SBendtrans-67.6-17.2169.828.8-35.8000113.4E286E286-P299 WeakPolarHBondContact OE1-CD 3.4Å
300V98.2Very high98.6Very high34 Ų3443.9 Ų43.921%0.20625%0.25CS..SBendtrans-89.9-29.8177.8179.20000111.6R127 F128 S298R127-V300 HydrophobicContact CB-CG1 4.02Å; R127-V300 PolarHBondContact NH1-O 3.19Å; F128-V300 HydrophobicContact CD1-CB 4.47Å; F128-V300 HydrophobicContact CD1-CG1 4.09Å; F128-V300 HydrophobicContact CE1-CB 3.67Å; F128-V300 HydrophobicContact CE1-CG1 3.6Å; F128-V300 HydrophobicContact CE1-CG2 4.36Å; F128-V300 HydrophobicContact CZ-CB 4.28Å; F128-V300 HydrophobicContact CZ-CG1 4.14Å; S298-V300 PolarHBondContact O-N 3.26Å; S298-V300 PolarHBondContact OG-N 3.48Å
301M98.3Very high98.6Very high0 Ų047.2 Ų47.20%027%0.265CS..SBendtrans-131.173.5173.2-168.362.5-139.400110M121 E122 A124 F128 S298 D305 S306 L309M121-M301 HydrophobicContact CG-CB 4.31Å; E122-M301 HydrophobicContact CB-CG 4.44Å; A124-M301 HydrophobicContact CB-CG 4.15Å; A124-M301 HydrophobicContact CB-SD 3.77Å; F128-M301 HydrophobicContact CZ-CB 4.06Å; S298-M301 CarbonylContact O-C 3.57Å; S298-M301 PolarHBondContact O-N 2.73Å; S298-M301 PolarHBondContact OG-N 2.96Å; S298-M301 VanDerWaalsContact OG-N 3.17Å; M301-D305 HydrophobicContact CE-CB 3.54Å; M301-D305 HydrophobicContact SD-CB 4.36Å; M301-S306 VanDerWaalsContact CE-N 3.27Å; M301-S306 WeakPolarHBondContact CE-OG 3.1Å; M301-L309 HydrophobicContact CE-CD1 3.73Å
302P98.4Very high98.5Very high29 Ų2945.5 Ų45.519%0.18826%0.256CS..  trans-69.6157.3-178.728.9-34.7000111.3E297 S298 A304 D305 S306E297-P302 WeakPolarHBondContact OE2-CA 3.47Å; E297-P302 WeakPolarHBondContact OE2-CB 3.41Å; S298-P302 VanDerWaalsContact O-CA 3.26Å; S298-P302 WeakPolarHBondContact O-CA 3.21Å; P302-A304 PolarHBondContact O-N 3.17Å; P302-D305 HydrophobicContact CG-CB 3.9Å; P302-D305 WeakPolarHBondContact O-CB 3.17Å; P302-D305 PolarHBondContact O-N 2.89Å; P302-S306 PolarHBondContact O-N 3.44Å
303H98.8Very high98.5Very high32 Ų3241.1 Ų41.115%0.14823%0.233CC..Hα-helixtrans-57.5-33.4177.1-69.9-178.3000112L110 L120 E297 D305 S306 L307L110-H303 HydrophobicContact CD1-CB 4.11Å; L110-H303 HydrophobicContact CD2-CB 3.73Å; L110-H303 HydrophobicContact CG-CB 4.47Å; L120-H303 PolarHBondContact O-NE2 3.07Å; E297-H303 WeakPolarHBondContact CB-NE2 3.34Å; E297-H303 IonicContact OE2-CD2 3.31Å; E297-H303 IonicContact OE2-CG 3.71Å; E297-H303 PolarHBondContact OE2-N 2.86Å; H303-D305 VanDerWaalsContact C-N 3.34Å; H303-D305 PolarHBondContact O-N 2.64Å; H303-S306 PolarHBondContact O-N 3.34Å; H303-L307 PolarHBondContact O-N 2.93Å
304A98.6Very high98.4Very high67 Ų6736 Ų3655%0.55421%0.213SC*.Hα-helixtrans-62.1-39.3174.900000112.5P302 L308P302-A304 PolarHBondContact O-N 3.17Å; A304-L308 WeakPolarHBondContact O-CB 3.43Å; A304-L308 PolarHBondContact O-N 2.88Å
305D98.6Very high98.4Very high18 Ų1836.5 Ų36.510%0.09620%0.202CC..Hα-helixtrans-69.5-42.5177-82.925.4000110.6R127 M301 P302 H303 L307 L308 L309R127-D305 IonicContact CZ-OD2 2.69Å; R127-D305 IonicContact NH1-OD2 3.95Å; R127-D305 PolarHBondContact NH1-OD2 2.86Å; R127-D305 IonicContact NH2-OD2 3.32Å; R127-D305 PolarHBondContact NH2-OD2 2.88Å; M301-D305 HydrophobicContact CE-CB 3.54Å; M301-D305 HydrophobicContact SD-CB 4.36Å; P302-D305 HydrophobicContact CG-CB 3.9Å; P302-D305 WeakPolarHBondContact O-CB 3.17Å; P302-D305 PolarHBondContact O-N 2.89Å; H303-D305 VanDerWaalsContact C-N 3.34Å; H303-D305 PolarHBondContact O-N 2.64Å; D305-L307 VanDerWaalsContact C-N 3.32Å; D305-L307 PolarHBondContact O-N 3.4Å; D305-L308 PolarHBondContact O-N 2.6Å; D305-L309 WeakPolarHBondContact O-CB 3.39Å; D305-L309 VanDerWaalsContact O-CG 3.22Å; D305-L309 WeakPolarHBondContact O-CG 3.4Å; D305-L309 PolarHBondContact O-N 2.88Å
306S98.7Very high98.4Very high3 Ų333.2 Ų33.22%0.02119%0.185CC..Hα-helixtrans-59.2-43.2176.1-73.90000111.9E122 M301 P302 H303 A310E122-S306 VanDerWaalsContact CB-OG 3.3Å; E122-S306 WeakPolarHBondContact CB-OG 3.37Å; E122-S306 WeakPolarHBondContact OE2-CA 3.47Å; E122-S306 VanDerWaalsContact OE2-CB 3.23Å; E122-S306 WeakPolarHBondContact OE2-CB 3.04Å; E122-S306 PolarHBondContact OE2-OG 3.47Å; M301-S306 VanDerWaalsContact CE-N 3.27Å; M301-S306 WeakPolarHBondContact CE-OG 3.1Å; P302-S306 PolarHBondContact O-N 3.44Å; H303-S306 PolarHBondContact O-N 3.34Å; S306-A310 PolarHBondContact O-N 2.84Å; S306-A310 VanDerWaalsContact O-N 3.15Å
307L98.8Very high98.2Very high47 Ų4729.5 Ų29.525%0.24617%0.169CC..Hα-helixtrans-65.3-45.5175.9-177.961.4000111.6A103 V106 K107 L110 H303 D305 L309 A310 E311A103-L307 HydrophobicContact CB-CD1 4.34Å; V106-L307 HydrophobicContact CG1-CB 4.44Å; V106-L307 HydrophobicContact CG1-CD1 4.26Å; K107-L307 HydrophobicContact CB-CD1 4.42Å; L110-L307 HydrophobicContact CD1-CB 4.12Å; H303-L307 PolarHBondContact O-N 2.93Å; D305-L307 VanDerWaalsContact C-N 3.32Å; D305-L307 PolarHBondContact O-N 3.4Å; L307-L309 VanDerWaalsContact C-N 3.34Å; L307-L309 PolarHBondContact O-N 3.32Å; L307-A310 PolarHBondContact O-N 3.26Å; L307-E311 WeakPolarHBondContact O-CG 3.45Å; L307-E311 PolarHBondContact O-N 3.13Å
308L98.7Very high98.1Very high14 Ų1433.4 Ų33.47%0.07318%0.18CC..Hα-helixtrans-59.7-43.7177.8174.361.7000111.8G186 K188 A304 D305 A310 E311 M312G186-L308 VanDerWaalsContact O-CD2 3.25Å; G186-L308 WeakPolarHBondContact O-CD2 3.41Å; K188-L308 HydrophobicContact CB-CD1 3.91Å; K188-L308 HydrophobicContact CD-CD1 4.11Å; K188-L308 HydrophobicContact CG-CD1 3.79Å; A304-L308 WeakPolarHBondContact O-CB 3.43Å; A304-L308 PolarHBondContact O-N 2.88Å; D305-L308 PolarHBondContact O-N 2.6Å; L308-A310 VanDerWaalsContact C-N 3.33Å; L308-A310 PolarHBondContact O-N 2.84Å; L308-E311 PolarHBondContact O-N 3.16Å; L308-M312 HydrophobicContact CD1-CG 4.14Å; L308-M312 HydrophobicContact CD1-SD 4.12Å; L308-M312 HydrophobicContact CG-CG 4.47Å; L308-M312 HydrophobicContact CG-SD 3.97Å; L308-M312 VanDerWaalsContact O-CG 3.24Å; L308-M312 WeakPolarHBondContact O-CG 3.38Å; L308-M312 PolarHBondContact O-N 2.84Å
309L98.6Very high98Very high1 Ų136.4 Ų36.41%0.00519%0.194CC..Hα-helixtrans-60.3-43.9177.3-70.5171.7000111.3I174 L177 Q178 M301 D305 L307 M312 D313I174-L309 HydrophobicContact CD1-CB 4.27Å; L177-L309 HydrophobicContact CB-CD2 3.84Å; Q178-L309 HydrophobicContact CB-CD1 4.04Å; Q178-L309 HydrophobicContact CB-CD2 4.41Å; M301-L309 HydrophobicContact CE-CD1 3.73Å; D305-L309 WeakPolarHBondContact O-CB 3.39Å; D305-L309 VanDerWaalsContact O-CG 3.22Å; D305-L309 WeakPolarHBondContact O-CG 3.4Å; D305-L309 PolarHBondContact O-N 2.88Å; L307-L309 VanDerWaalsContact C-N 3.34Å; L307-L309 PolarHBondContact O-N 3.32Å; L309-M312 PolarHBondContact O-N 3.1Å; L309-D313 PolarHBondContact O-N 3.34Å
310A98.4Very high97.8Very high12 Ų1232.9 Ų32.910%0.09917%0.17CC..Hα-helixtrans-65.7-39.9176.600000112.6A103 V106 S306 L307 L308 M312 D313 D314A103-A310 HydrophobicContact CB-CB 4.01Å; V106-A310 HydrophobicContact CB-CB 4.15Å; V106-A310 HydrophobicContact CG2-CB 3.72Å; S306-A310 PolarHBondContact O-N 2.84Å; S306-A310 VanDerWaalsContact O-N 3.15Å; L307-A310 PolarHBondContact O-N 3.26Å; L308-A310 VanDerWaalsContact C-N 3.33Å; L308-A310 PolarHBondContact O-N 2.84Å; A310-M312 VanDerWaalsContact C-N 3.33Å; A310-M312 PolarHBondContact O-N 3.41Å; A310-D313 PolarHBondContact O-N 3.4Å; A310-D314 WeakPolarHBondContact O-CB 3.47Å; A310-D314 VanDerWaalsContact O-CG 3.25Å; A310-D314 PolarHBondContact O-N 2.99Å
311E98.5Very high97.5Very high72 Ų7234.1 Ų34.134%0.33619%0.19SC..Hα-helixtrans-62.5-39.8173.9-72.9-178.4175.600112A103 K188 L307 L308 E315A103-E311 HydrophobicContact CB-CG 4Å; K188-E311 IonicContact NZ-OE2 3.43Å; K188-E311 PolarHBondContact NZ-OE2 3.4Å; L307-E311 WeakPolarHBondContact O-CG 3.45Å; L307-E311 PolarHBondContact O-N 3.13Å; L308-E311 PolarHBondContact O-N 3.16Å; E311-E315 PolarHBondContact O-N 3.28Å; E311-E315 VanDerWaalsContact O-N 3.09Å
312M98.5Very high97.1Very high3 Ų334.3 Ų34.32%0.01519%0.192CC..Hα-helixtrans-66.8-43.3176-70171.273.100111.2L177 P189 I192 L211 L308 L309 A310 E315 I316L177-M312 HydrophobicContact CD2-CE 3.54Å; P189-M312 HydrophobicContact CG-CE 4.04Å; P189-M312 HydrophobicContact CG-CG 4.43Å; P189-M312 HydrophobicContact CG-SD 4.4Å; I192-M312 HydrophobicContact CD1-CB 4.15Å; I192-M312 HydrophobicContact CD1-CG 3.98Å; L211-M312 HydrophobicContact CD1-CE 3.68Å; L211-M312 HydrophobicContact CD2-CE 3.88Å; L211-M312 HydrophobicContact CG-CE 4.43Å; L308-M312 HydrophobicContact CD1-CG 4.14Å; L308-M312 HydrophobicContact CD1-SD 4.12Å; L308-M312 HydrophobicContact CG-CG 4.47Å; L308-M312 HydrophobicContact CG-SD 3.97Å; L308-M312 VanDerWaalsContact O-CG 3.24Å; L308-M312 WeakPolarHBondContact O-CG 3.38Å; L308-M312 PolarHBondContact O-N 2.84Å; L309-M312 PolarHBondContact O-N 3.1Å; A310-M312 VanDerWaalsContact C-N 3.33Å; A310-M312 PolarHBondContact O-N 3.41Å; M312-E315 PolarHBondContact O-N 3.46Å; M312-I316 WeakPolarHBondContact O-CD1 3.33Å; M312-I316 WeakPolarHBondContact O-CG1 3.38Å; M312-I316 PolarHBondContact O-N 3.34Å
313D97.1Very high96.8Very high5 Ų536.5 Ų36.53%0.02720%0.204CC..Hα-helixtrans-59.9-48.1175.2-97-2.6000111.2L169 L177 L309 A310 E315 I316 R317L169-D313 WeakPolarHBondContact CD1-OD1 3.5Å; L169-D313 HydrophobicContact CD2-CB 4.29Å; L169-D313 VanDerWaalsContact CG-OD1 3.27Å; L169-D313 WeakPolarHBondContact CG-OD1 3.38Å; L177-D313 WeakPolarHBondContact CD1-OD1 3.26Å; L309-D313 PolarHBondContact O-N 3.34Å; A310-D313 PolarHBondContact O-N 3.4Å; D313-E315 VanDerWaalsContact C-N 3.34Å; D313-E315 PolarHBondContact O-N 3.36Å; D313-I316 PolarHBondContact O-N 3.3Å; D313-R317 VanDerWaalsContact O-CG 3.3Å; D313-R317 WeakPolarHBondContact O-CG 3.42Å; D313-R317 PolarHBondContact O-N 2.84Å
314D97.5Very high96.3Very high41 Ų4135.2 Ų35.222%0.21920%0.198CC..Hα-helixtrans-57.4-45.6177.8-73.2-5.5000111.9N102 A103 A310 R317 R318N102-D314 WeakPolarHBondContact CA-OD1 3.44Å; N102-D314 VanDerWaalsContact CB-OD1 3.3Å; N102-D314 WeakPolarHBondContact CB-OD1 3.36Å; A103-D314 WeakPolarHBondContact CB-OD2 3.26Å; A103-D314 PolarHBondContact N-OD2 2.91Å; A310-D314 WeakPolarHBondContact O-CB 3.47Å; A310-D314 VanDerWaalsContact O-CG 3.25Å; A310-D314 PolarHBondContact O-N 2.99Å; D314-R317 PolarHBondContact O-N 3.35Å; D314-R317 IonicContact OD1-CZ 2.92Å; D314-R317 IonicContact OD1-NE 3.33Å; D314-R317 IonicContact OD1-NH2 3.95Å; D314-R317 PolarHBondContact OD1-NH2 2.83Å; D314-R318 WeakPolarHBondContact O-CB 3.32Å; D314-R318 PolarHBondContact O-N 3.49Å
315E97.9Very high95.8Very high59 Ų5935.4 Ų35.428%0.27620%0.195SC..Hα-helixtrans-65.2-41.5178176.253.5-157.300112.2I192 E311 M312 D313 R318 Q319I192-E315 HydrophobicContact CB-CG 4.27Å; I192-E315 HydrophobicContact CD1-CB 4.34Å; I192-E315 HydrophobicContact CD1-CG 4.17Å; E311-E315 PolarHBondContact O-N 3.28Å; E311-E315 VanDerWaalsContact O-N 3.09Å; M312-E315 PolarHBondContact O-N 3.46Å; D313-E315 VanDerWaalsContact C-N 3.34Å; D313-E315 PolarHBondContact O-N 3.36Å; E315-R318 PolarHBondContact O-N 3.43Å; E315-R318 IonicContact OE1-CZ 3.32Å; E315-R318 IonicContact OE1-NE 3.32Å; E315-R318 IonicContact OE1-NH2 3.23Å; E315-R318 PolarHBondContact OE1-NH2 3.09Å; E315-R318 IonicContact OE2-CZ 2.64Å; E315-R318 IonicContact OE2-NE 2.77Å; E315-R318 PolarHBondContact OE2-NE 3.33Å; E315-R318 IonicContact OE2-NH2 2.62Å; E315-R318 PolarHBondContact OE2-NH2 3.25Å; E315-Q319 WeakPolarHBondContact O-CG 3.37Å; E315-Q319 PolarHBondContact O-N 3.07Å; E315-Q319 VanDerWaalsContact O-N 3.1Å; E315-Q319 WeakPolarHBondContact OE1-CG 3.22Å; E315-Q319 PolarHBondContact OE1-NE2 3.34Å
316I97.8Very high95.4Very high0 Ų035.5 Ų35.50%020%0.195CC..Hα-helixtrans-61.9-48.8176.4-69.7161.6000110.1L169 L177 I192 A194 L207 V209 F221 M312 D313 R318 Q319 V320L169-I316 HydrophobicContact CD1-CD1 4.34Å; L169-I316 HydrophobicContact CD1-CG2 4.04Å; L169-I316 HydrophobicContact CD2-CB 4.03Å; L169-I316 HydrophobicContact CD2-CG2 3.73Å; L177-I316 HydrophobicContact CD1-CD1 4.03Å; L177-I316 HydrophobicContact CD2-CD1 4.09Å; I192-I316 HydrophobicContact CG2-CD1 4.49Å; I192-I316 HydrophobicContact CG2-CG1 3.72Å; A194-I316 HydrophobicContact CB-CB 4.35Å; A194-I316 HydrophobicContact CB-CG1 4.37Å; A194-I316 HydrophobicContact CB-CG2 3.86Å; L207-I316 HydrophobicContact CD1-CG2 4.04Å; V209-I316 HydrophobicContact CG1-CD1 3.93Å; V209-I316 HydrophobicContact CG1-CG1 4.06Å; V209-I316 HydrophobicContact CG2-CD1 4.19Å; V209-I316 HydrophobicContact CG2-CG1 4.29Å; V209-I316 HydrophobicContact CG2-CG2 3.94Å; F221-I316 HydrophobicContact CE1-CD1 4.34Å; F221-I316 HydrophobicContact CZ-CD1 4.04Å; M312-I316 WeakPolarHBondContact O-CD1 3.33Å; M312-I316 WeakPolarHBondContact O-CG1 3.38Å; M312-I316 PolarHBondContact O-N 3.34Å; D313-I316 PolarHBondContact O-N 3.3Å; I316-R318 VanDerWaalsContact C-N 3.32Å; I316-R318 PolarHBondContact O-N 2.75Å; I316-Q319 PolarHBondContact O-N 3.39Å; I316-V320 WeakPolarHBondContact O-CG2 3.39Å; I316-V320 PolarHBondContact O-N 3.43Å
317R95.1Very high94.9Very high7 Ų738.2 Ų38.23%0.02621%0.209CC..Hα-helixtrans-59.4-43178.3-69.8-172.7-56.2114.1-13.1111.8L169 D313 D314 Q319 V320 G321 V322 D327L169-R317 HydrophobicContact CD2-CG 3.42Å; L169-R317 VanDerWaalsContact CD2-CG 3.42Å; D313-R317 VanDerWaalsContact O-CG 3.3Å; D313-R317 WeakPolarHBondContact O-CG 3.42Å; D313-R317 PolarHBondContact O-N 2.84Å; D314-R317 PolarHBondContact O-N 3.35Å; D314-R317 IonicContact OD1-CZ 2.92Å; D314-R317 IonicContact OD1-NE 3.33Å; D314-R317 IonicContact OD1-NH2 3.95Å; D314-R317 PolarHBondContact OD1-NH2 2.83Å; R317-Q319 VanDerWaalsContact C-N 3.33Å; R317-Q319 PolarHBondContact O-N 3.22Å; R317-V320 CarbonylContact O-C 3.55Å; R317-V320 WeakPolarHBondContact O-CG2 3.49Å; R317-V320 PolarHBondContact O-N 3.44Å; R317-G321 PolarHBondContact O-N 3.34Å; R317-V322 HydrophobicContact CB-CB 4.28Å; R317-V322 HydrophobicContact CG-CB 4.48Å; R317-V322 PolarHBondContact NH1-O 3.46Å; R317-V322 PolarHBondContact O-N 2.85Å; R317-D327 IonicContact CZ-OD1 2.65Å; R317-D327 IonicContact CZ-OD2 3.75Å; R317-D327 IonicContact NH1-OD1 3.83Å; R317-D327 IonicContact NH1-OD2 3.69Å; R317-D327 PolarHBondContact NH1-OD2 3.44Å; R317-D327 IonicContact NH2-OD1 3.62Å; R317-D327 PolarHBondContact NH2-OD1 3Å; R317-D327 IonicContact NH2-OD2 3.27Å
318R95.8Very high94.1Very high158 Ų15841.1 Ų41.160%0.59623%0.233SC*.Hα-helixtrans-58.3-43.8177.3-169.9-165.167.672.12.6111.7D314 E315 I316 V320 G321D314-R318 WeakPolarHBondContact O-CB 3.32Å; D314-R318 PolarHBondContact O-N 3.49Å; E315-R318 PolarHBondContact O-N 3.43Å; E315-R318 IonicContact OE1-CZ 3.32Å; E315-R318 IonicContact OE1-NE 3.32Å; E315-R318 IonicContact OE1-NH2 3.23Å; E315-R318 PolarHBondContact OE1-NH2 3.09Å; E315-R318 IonicContact OE2-CZ 2.64Å; E315-R318 IonicContact OE2-NE 2.77Å; E315-R318 PolarHBondContact OE2-NE 3.33Å; E315-R318 IonicContact OE2-NH2 2.62Å; E315-R318 PolarHBondContact OE2-NH2 3.25Å; I316-R318 VanDerWaalsContact C-N 3.32Å; I316-R318 PolarHBondContact O-N 2.75Å; R318-V320 VanDerWaalsContact C-N 3.3Å; R318-V320 PolarHBondContact O-N 3.18Å; R318-G321 PolarHBondContact O-N 3.45Å
319Q97Very high92.7Very high64 Ų6448.5 Ų48.530%0.29927%0.267SS..Hα-helixtrans-65-31.7179-71-17533.100113.2I192 A194 E315 I316 R317I192-Q319 PolarHBondContact O-NE2 3.48Å; A194-Q319 HydrophobicContact CB-CB 4.15Å; E315-Q319 WeakPolarHBondContact O-CG 3.37Å; E315-Q319 PolarHBondContact O-N 3.07Å; E315-Q319 VanDerWaalsContact O-N 3.1Å; E315-Q319 WeakPolarHBondContact OE1-CG 3.22Å; E315-Q319 PolarHBondContact OE1-NE2 3.34Å; I316-Q319 PolarHBondContact O-N 3.39Å; R317-Q319 VanDerWaalsContact C-N 3.33Å; R317-Q319 PolarHBondContact O-N 3.22Å
320V94.4Very high92.4Very high24 Ų2450.9 Ų50.915%0.14528%0.28CS..THydrogen-bonded Turntrans-98.75.3179.5-58.30000114.3A194 C198 L207 I316 R317 R318 V322A194-V320 HydrophobicContact CB-CG1 4.27Å; C198-V320 PolarHBondContact SG-O 3.36Å; L207-V320 HydrophobicContact CD2-CB 4.16Å; L207-V320 HydrophobicContact CD2-CG1 3.59Å; L207-V320 HydrophobicContact CD2-CG2 3.91Å; I316-V320 WeakPolarHBondContact O-CG2 3.39Å; I316-V320 PolarHBondContact O-N 3.43Å; R317-V320 CarbonylContact O-C 3.55Å; R317-V320 WeakPolarHBondContact O-CG2 3.49Å; R317-V320 PolarHBondContact O-N 3.44Å; R318-V320 VanDerWaalsContact C-N 3.3Å; R318-V320 PolarHBondContact O-N 3.18Å; V320-V322 HydrophobicContact CG2-CB 4.36Å; V320-V322 HydrophobicContact CG2-CG2 3.9Å
321G91.9Very high92.1Very high61 Ų6152.9 Ų52.963%0.62929%0.289SS*.THydrogen-bonded Turntrans71.125.7176.500000115.2R317 R318R317-G321 PolarHBondContact O-N 3.34Å; R318-G321 PolarHBondContact O-N 3.45Å
322V90.9Very high91.7Very high4 Ų451.9 Ų51.92%0.02429%0.287CS..  trans-92.1120.4175.9175.10000110.3C198 N204 R317 V320 Y324C198-V322 WeakPolarHBondContact SG-CG2 3.32Å; N204-V322 HydrophobicContact CB-CG2 4Å; R317-V322 HydrophobicContact CB-CB 4.28Å; R317-V322 HydrophobicContact CG-CB 4.48Å; R317-V322 PolarHBondContact NH1-O 3.46Å; R317-V322 PolarHBondContact O-N 2.85Å; V320-V322 HydrophobicContact CG2-CB 4.36Å; V320-V322 HydrophobicContact CG2-CG2 3.9Å; V322-Y324 HydrophobicContact CG1-CE2 3.9Å
323V90.5Very high91.3Very high75 Ų7554.8 Ų54.846%0.45530%0.303SS..  trans-127132.8179.8-176.70000109.6K162 D327K162-V323 WeakPolarHBondContact CE-O 3.5Å; K162-V323 PolarHBondContact NZ-O 3.29Å; V323-D327 HydrophobicContact CG1-CB 3.98Å
324Y88.7Confident90.9Very high5 Ų557.9 Ų57.92%0.0232%0.32CS..  trans-103.6164173-64.4-78.6000110.9M101 K162 G166 L170 V203 V322 Q326 D327M101-Y324 HydrophobicContact CE-CD1 3.78Å; M101-Y324 HydrophobicContact CE-CD2 3.85Å; M101-Y324 HydrophobicContact CE-CE1 4.13Å; M101-Y324 HydrophobicContact CE-CE2 4.21Å; M101-Y324 HydrophobicContact CE-CG 3.64Å; K162-Y324 HydrophobicContact CG-CD1 3.95Å; K162-Y324 HydrophobicContact CG-CE1 3.94Å; G166-Y324 PolarHBondContact O-OH 3.35Å; L170-Y324 HydrophobicContact CD1-CD2 4.32Å; L170-Y324 HydrophobicContact CD1-CE1 4.49Å; L170-Y324 HydrophobicContact CD1-CE2 3.55Å; L170-Y324 HydrophobicContact CG-CE2 4.36Å; V203-Y324 HydrophobicContact CG1-CE1 4.35Å; V322-Y324 HydrophobicContact CG1-CE2 3.9Å; Y324-Q326 PolarHBondContact O-N 2.99Å; Y324-D327 PolarHBondContact N-OD2 2.9Å; Y324-D327 WeakPolarHBondContact O-CB 3.36Å; Y324-D327 PolarHBondContact O-N 3.44Å; Y324-D327 VanDerWaalsContact O-N 3.11Å
325S87.9Confident90.5Very high71 Ų7159 Ų5950%0.49733%0.327SS..G310 helixtrans-63.2-28.3-177.853.60000113D327 C328S325-D327 VanDerWaalsContact C-N 3.25Å; S325-D327 PolarHBondContact O-N 3.35Å; S325-C328 PolarHBondContact O-N 3.26Å
326Q91.3Very high90Very high20 Ų2059 Ų599%0.09333%0.33CS..G310 helixtrans-67.5-21.7176.8-64.780.4-2.200113.2M101 N102 E105 Y324 C328M101-Q326 HydrophobicContact CB-CB 4.02Å; M101-Q326 HydrophobicContact CB-CG 3.92Å; M101-Q326 HydrophobicContact CG-CG 3.94Å; N102-Q326 PolarHBondContact ND2-O 3.22Å; E105-Q326 WeakPolarHBondContact OE1-CG 3.46Å; Y324-Q326 PolarHBondContact O-N 2.99Å; Q326-C328 PolarHBondContact O-N 2.98Å
327D86.9Confident89.4Confident59 Ų5963.5 Ų63.532%0.31636%0.356SS..G310 helixtrans-73.9-18.2177.5-58.9-39.6000112N102 R317 V323 Y324 S325N102-D327 PolarHBondContact ND2-OD1 3.04Å; N102-D327 VanDerWaalsContact ND2-OD1 3.09Å; R317-D327 IonicContact CZ-OD1 2.65Å; R317-D327 IonicContact CZ-OD2 3.75Å; R317-D327 IonicContact NH1-OD1 3.83Å; R317-D327 IonicContact NH1-OD2 3.69Å; R317-D327 PolarHBondContact NH1-OD2 3.44Å; R317-D327 IonicContact NH2-OD1 3.62Å; R317-D327 PolarHBondContact NH2-OD1 3Å; R317-D327 IonicContact NH2-OD2 3.27Å; V323-D327 HydrophobicContact CG1-CB 3.98Å; Y324-D327 PolarHBondContact N-OD2 2.9Å; Y324-D327 WeakPolarHBondContact O-CB 3.36Å; Y324-D327 PolarHBondContact O-N 3.44Å; Y324-D327 VanDerWaalsContact O-N 3.11Å; S325-D327 VanDerWaalsContact C-N 3.25Å; S325-D327 PolarHBondContact O-N 3.35Å
328C82.4Confident88.9Confident109 Ų10968.3 Ų68.374%0.73638%0.383SS*.G310 helixtrans-99.8-1.6-177.9-61.30000113.9S325 Q326S325-C328 PolarHBondContact O-N 3.26Å; Q326-C328 PolarHBondContact O-N 2.98Å
329Q69.1Low88.3Confident169 Ų16960.1 Ų60.179%0.7936%0.364SS*.  trans-94.70-177-67.9179.420.500112.3K104K104-Q329 PolarHBondContact NZ-O 2.89Å; K104-Q329 PolarHBondContact NZ-OXT 3.04Å

Retrieved 329 of 329 residues in 197.8 ms (Link to these results)

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