A0A077ZCT1_TRITR Loading...

Vacuolar protein sorting-associated protein 33B

AlphaFold DB , UniProt , Accession A0A077ZCT1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 505 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
1M44.1Very low81.8Confident215 Ų21569.9 Ų69.9100%1.05939%0.39SS*.  0130.10-68.4-178.9178.500108.4R454M1-R454 VanDerWaalsContact O-CZ 3.31Å; M1-R454 PolarHBondContact O-NE 3.16Å; M1-R454 PolarHBondContact O-NH2 3.13Å
2G62.7Low83Confident64 Ų6469 Ų6966%0.6638%0.38SS*.PPolyproline II helixtrans-61.7167.8-178.200000113R454G2-R454 PolarHBondContact O-NH2 2.84Å
3N68.7Low84Confident48 Ų4873.5 Ų73.526%0.25739%0.388SS..PPolyproline II helixtrans-63.7148.9168.2-65-29.7000109S455 V457N3-S455 PolarHBondContact ND2-O 2.76Å; N3-V457 HydrophobicContact CB-CG2 3.99Å; N3-V457 VanDerWaalsContact CG-CG2 3.49Å; N3-V457 WeakPolarHBondContact ND2-CG2 3.47Å
4R76.6Confident85Confident56 Ų5672.1 Ų72.121%0.21138%0.38CS..PPolyproline II helixtrans-59.9134.2177.3-176.6174.4-78.1152.41.2109.2F6 F187 D222R4-F6 PolarHBondContact O-N 3.45Å; R4-F187 VanDerWaalsContact CD-O 3.26Å; R4-F187 WeakPolarHBondContact CD-O 3.39Å; R4-F187 PolarHBondContact NH1-O 3.24Å; R4-D222 IonicContact CZ-OD2 2.79Å; R4-D222 PolarHBondContact NH1-O 2.75Å; R4-D222 VanDerWaalsContact NH2-CB 3.32Å; R4-D222 PolarHBondContact NH2-O 2.74Å; R4-D222 IonicContact NH2-OD2 2.86Å; R4-D222 PolarHBondContact NH2-OD2 2.98Å
5P81.5Confident85.8Confident112 Ų11267.5 Ų67.573%0.72736%0.356SS*.PPolyproline II helixtrans-58.1137.7175.224.4-35000110.1
6F90.8Very high86.6Confident34 Ų3466.4 Ų66.415%0.14935%0.348CS..  trans-112.6107176.4174.6-108.6000108.2R4 P8 L153 F183 F187 R486R4-F6 PolarHBondContact O-N 3.45Å; F6-P8 HydrophobicContact CD1-CG 4.43Å; F6-P8 HydrophobicContact CE1-CB 3.79Å; F6-P8 HydrophobicContact CE1-CG 3.95Å; F6-P8 HydrophobicContact CZ-CB 3.78Å; F6-P8 HydrophobicContact CZ-CG 4.44Å; F6-P8 WeakPolarHBondContact O-CD 3.33Å; F6-L153 HydrophobicContact CZ-CD1 4.1Å; F6-L153 HydrophobicContact CZ-CD2 4.43Å; F6-L153 HydrophobicContact CZ-CG 4.47Å; F6-F183 HydrophobicContact CD2-CZ 4.47Å; F6-F183 AromaticContact CE2-CE2 3.67Å; F6-F183 HydrophobicContact CE2-CE2 3.67Å; F6-F183 AromaticContact CE2-CZ 3.86Å; F6-F183 HydrophobicContact CE2-CZ 3.86Å; F6-F183 HydrophobicContact CZ-CE2 4.28Å; F6-F187 AromaticContact CD2-CD1 3.73Å; F6-F187 HydrophobicContact CD2-CD1 3.73Å; F6-F187 HydrophobicContact CD2-CD2 4.36Å; F6-F187 AromaticContact CD2-CE1 3.74Å; F6-F187 HydrophobicContact CD2-CE1 3.74Å; F6-F187 HydrophobicContact CD2-CE2 4.37Å; F6-F187 HydrophobicContact CD2-CG 4.05Å; F6-F187 HydrophobicContact CD2-CZ 4.06Å; F6-F187 HydrophobicContact CE2-CD1 4.19Å; F6-F187 HydrophobicContact CE2-CD2 4.09Å; F6-F187 AromaticContact CE2-CE1 3.96Å; F6-F187 HydrophobicContact CE2-CE1 3.96Å; F6-F187 AromaticContact CE2-CE2 3.85Å; F6-F187 HydrophobicContact CE2-CE2 3.85Å; F6-F187 HydrophobicContact CE2-CG 4.25Å; F6-F187 AromaticContact CE2-CZ 3.78Å; F6-F187 HydrophobicContact CE2-CZ 3.78Å; F6-R486 VanDerWaalsContact CB-NH2 3.31Å; F6-R486 HydrophobicContact CD1-CG 4.33Å; F6-R486 HydrophobicContact CE1-CG 4.29Å
7D94.1Very high87.3Confident58 Ų5868.3 Ų68.331%0.3136%0.359SS..  trans-106.896.8171.5-179.98.6000108.5E9 I10 F187D7-E9 PolarHBondContact O-N 2.85Å; D7-E9 VanDerWaalsContact OD1-CB 3.26Å; D7-E9 WeakPolarHBondContact OD1-CB 3.31Å; D7-E9 WeakPolarHBondContact OD1-CG 3.47Å; D7-E9 PolarHBondContact OD1-N 3.46Å; D7-I10 HydrophobicContact CB-CD1 4.1Å; D7-I10 HydrophobicContact CB-CG1 4.26Å; D7-I10 PolarHBondContact O-N 3.39Å; D7-F187 WeakPolarHBondContact O-CE1 3.36Å
8P94Very high87.9Confident15 Ų1568.6 Ų68.610%0.09736%0.357CS..THydrogen-bonded Turntrans-67.2-16.5-18028.5-34.7000112.9F6 I10 L11 P147 L153F6-P8 HydrophobicContact CD1-CG 4.43Å; F6-P8 HydrophobicContact CE1-CB 3.79Å; F6-P8 HydrophobicContact CE1-CG 3.95Å; F6-P8 HydrophobicContact CZ-CB 3.78Å; F6-P8 HydrophobicContact CZ-CG 4.44Å; F6-P8 WeakPolarHBondContact O-CD 3.33Å; P8-I10 PolarHBondContact O-N 2.95Å; P8-L11 WeakPolarHBondContact O-CB 3.46Å; P8-L11 PolarHBondContact O-N 3.24Å; P8-P147 HydrophobicContact CB-CB 3.94Å; P8-L153 HydrophobicContact CB-CD2 3.95Å
9E94.6Very high88.4Confident95 Ų9565 Ų6544%0.44434%0.338SS..Hα-helixtrans-65.3-23.1179-60-174.7174.300112.7D7 L11 Q12 R13D7-E9 PolarHBondContact O-N 2.85Å; D7-E9 VanDerWaalsContact OD1-CB 3.26Å; D7-E9 WeakPolarHBondContact OD1-CB 3.31Å; D7-E9 WeakPolarHBondContact OD1-CG 3.47Å; D7-E9 PolarHBondContact OD1-N 3.46Å; E9-L11 PolarHBondContact O-N 3.44Å; E9-Q12 WeakPolarHBondContact O-CB 3.48Å; E9-Q12 PolarHBondContact O-N 3.42Å; E9-Q12 VanDerWaalsContact O-N 3.13Å; E9-R13 WeakPolarHBondContact O-CG 3.35Å; E9-R13 PolarHBondContact O-N 3.06Å; E9-R13 IonicContact OE2-CZ 3.6Å; E9-R13 IonicContact OE2-NH2 3.51Å; E9-R13 PolarHBondContact OE2-NH2 3.02Å
10I96.2Very high88.9Confident64 Ų6462.6 Ų62.633%0.32833%0.325SS..Hα-helixtrans-58.1-37.3175.8-64.1173.9000110.9D7 P8 R13 I14 L186D7-I10 HydrophobicContact CB-CD1 4.1Å; D7-I10 HydrophobicContact CB-CG1 4.26Å; D7-I10 PolarHBondContact O-N 3.39Å; P8-I10 PolarHBondContact O-N 2.95Å; I10-R13 PolarHBondContact O-N 2.91Å; I10-I14 HydrophobicContact CG2-CD1 3.94Å; I10-I14 WeakPolarHBondContact O-CG1 3.36Å; I10-I14 PolarHBondContact O-N 3.35Å; I10-L186 HydrophobicContact CG2-CD2 4.27Å
11L96.7Very high89.3Confident8 Ų865.6 Ų65.64%0.04234%0.338CS..Hα-helixtrans-62.6-45177-66.6162.8000111.3P8 E9 R13 I14 A15 F145 L153 L186 F187P8-L11 WeakPolarHBondContact O-CB 3.46Å; P8-L11 PolarHBondContact O-N 3.24Å; E9-L11 PolarHBondContact O-N 3.44Å; L11-R13 PolarHBondContact O-N 2.69Å; L11-I14 PolarHBondContact O-N 3.35Å; L11-A15 PolarHBondContact O-N 2.87Å; L11-F145 WeakPolarHBondContact CB-O 3.2Å; L11-F145 HydrophobicContact CD1-CB 3.95Å; L11-L153 HydrophobicContact CD1-CD1 3.88Å; L11-L153 HydrophobicContact CD1-CD2 3.96Å; L11-L186 HydrophobicContact CD2-CD1 3.56Å; L11-L186 HydrophobicContact CG-CD1 4.4Å; L11-F187 HydrophobicContact CD1-CE2 3.99Å; L11-F187 HydrophobicContact CD1-CZ 4.25Å; L11-F187 HydrophobicContact CD2-CE2 4.19Å; L11-F187 HydrophobicContact CG-CE2 4.03Å; L11-F187 HydrophobicContact CG-CZ 4.14Å
12Q95.7Very high91.8Very high59 Ų5956 Ų5628%0.27629%0.291SS..Hα-helixtrans-62-42.1176.9-172.6-167.210.700111.3E9 A15 H16 R44 P147E9-Q12 WeakPolarHBondContact O-CB 3.48Å; E9-Q12 PolarHBondContact O-N 3.42Å; E9-Q12 VanDerWaalsContact O-N 3.13Å; Q12-A15 PolarHBondContact O-N 3.08Å; Q12-H16 VanDerWaalsContact O-CB 3.31Å; Q12-H16 WeakPolarHBondContact O-CB 3.46Å; Q12-H16 PolarHBondContact O-N 3.46Å; Q12-R44 VanDerWaalsContact CD-O 3.29Å; Q12-R44 WeakPolarHBondContact CG-O 3.43Å; Q12-R44 PolarHBondContact NE2-O 3.04Å; Q12-P147 HydrophobicContact CB-CG 4.09Å
13R96.8Very high93.4Very high128 Ų12853 Ų5348%0.48326%0.259SS..Hα-helixtrans-63.7-43.1177.7-67.5174.4-164.716511.4112.1E9 I10 L11 A15 H16 D17E9-R13 WeakPolarHBondContact O-CG 3.35Å; E9-R13 PolarHBondContact O-N 3.06Å; E9-R13 IonicContact OE2-CZ 3.6Å; E9-R13 IonicContact OE2-NH2 3.51Å; E9-R13 PolarHBondContact OE2-NH2 3.02Å; I10-R13 PolarHBondContact O-N 2.91Å; L11-R13 PolarHBondContact O-N 2.69Å; R13-A15 PolarHBondContact O-N 2.67Å; R13-H16 WeakPolarHBondContact O-CB 3.41Å; R13-H16 PolarHBondContact O-N 2.76Å; R13-D17 VanDerWaalsContact O-CG 3.24Å; R13-D17 PolarHBondContact O-N 2.89Å
14I97.5Very high94.7Very high53 Ų5355.3 Ų55.327%0.27227%0.269SS..Hα-helixtrans-63.1-43.8175.9-68.2164.4000111I10 L11 H16 D17 K18 L186I10-I14 HydrophobicContact CG2-CD1 3.94Å; I10-I14 WeakPolarHBondContact O-CG1 3.36Å; I10-I14 PolarHBondContact O-N 3.35Å; L11-I14 PolarHBondContact O-N 3.35Å; I14-H16 VanDerWaalsContact C-N 3.32Å; I14-D17 PolarHBondContact O-N 3.34Å; I14-K18 HydrophobicContact CG2-CD 4.2Å; I14-K18 WeakPolarHBondContact O-CB 3.38Å; I14-K18 VanDerWaalsContact O-CG 3.32Å; I14-K18 WeakPolarHBondContact O-CG 3.49Å; I14-K18 PolarHBondContact O-N 3.1Å; I14-L186 HydrophobicContact CD1-CD1 3.6Å; I14-L186 HydrophobicContact CD1-CD2 3.57Å; I14-L186 HydrophobicContact CD1-CG 4.22Å
15A97.9Very high95.6Very high3 Ų356.4 Ų56.43%0.02528%0.284CS..Hα-helixtrans-64.1-39.3176.300000111.7L11 Q12 R13 F19 I45 F141 W143L11-A15 PolarHBondContact O-N 2.87Å; Q12-A15 PolarHBondContact O-N 3.08Å; R13-A15 PolarHBondContact O-N 2.67Å; A15-F19 PolarHBondContact O-N 2.86Å; A15-F19 VanDerWaalsContact O-N 3.09Å; A15-I45 HydrophobicContact CB-CD1 4.06Å; A15-I45 HydrophobicContact CB-CG1 4.23Å; A15-I45 HydrophobicContact CB-CG2 3.79Å; A15-F141 VanDerWaalsContact O-CE2 3.28Å; A15-F141 WeakPolarHBondContact O-CE2 3Å; A15-F141 WeakPolarHBondContact O-CZ 3.05Å; A15-W143 HydrophobicContact CB-CB 3.95Å
16H98.1Very high96Very high50 Ų5052.1 Ų52.123%0.23126%0.255CS..Hα-helixtrans-57.4-54.7174172.8-78.3000110.4Q12 R13 I14 K18 F19 I20 I45Q12-H16 VanDerWaalsContact O-CB 3.31Å; Q12-H16 WeakPolarHBondContact O-CB 3.46Å; Q12-H16 PolarHBondContact O-N 3.46Å; R13-H16 WeakPolarHBondContact O-CB 3.41Å; R13-H16 PolarHBondContact O-N 2.76Å; I14-H16 VanDerWaalsContact C-N 3.32Å; H16-K18 VanDerWaalsContact C-N 3.33Å; H16-K18 PolarHBondContact O-N 3.09Å; H16-F19 PolarHBondContact O-N 2.87Å; H16-I20 WeakPolarHBondContact O-CG1 3.32Å; H16-I20 PolarHBondContact O-N 3.22Å; H16-I45 VanDerWaalsContact CA-CG2 3.49Å; H16-I45 HydrophobicContact CB-CG2 3.98Å; H16-I45 VanDerWaalsContact N-CG2 3.26Å
17D98Very high96Very high99 Ų9959.1 Ų59.153%0.52929%0.288SS..Hα-helixtrans-64.7-37.4-176.4-63.1-13.6000112.4R13 I14 F19 I20 H21R13-D17 VanDerWaalsContact O-CG 3.24Å; R13-D17 PolarHBondContact O-N 2.89Å; I14-D17 PolarHBondContact O-N 3.34Å; D17-F19 VanDerWaalsContact C-N 3.33Å; D17-F19 PolarHBondContact O-N 3.48Å; D17-I20 PolarHBondContact O-N 3.28Å; D17-H21 WeakPolarHBondContact O-CB 3.46Å; D17-H21 PolarHBondContact O-N 3.4Å
18K97.8Very high96Very high74 Ų7462 Ų6232%0.32229%0.294SS..Hα-helixtrans-59.3-42.3172.1-78.2177.1177.3-178.50112.1I14 H16 L22 F141I14-K18 HydrophobicContact CG2-CD 4.2Å; I14-K18 WeakPolarHBondContact O-CB 3.38Å; I14-K18 VanDerWaalsContact O-CG 3.32Å; I14-K18 WeakPolarHBondContact O-CG 3.49Å; I14-K18 PolarHBondContact O-N 3.1Å; H16-K18 VanDerWaalsContact C-N 3.33Å; H16-K18 PolarHBondContact O-N 3.09Å; K18-L22 PolarHBondContact O-N 3.28Å; K18-F141 HydrophobicContact CB-CD2 4.43Å; K18-F141 HydrophobicContact CB-CE2 4.02Å
19F98Very high96.2Very high0 Ų065.4 Ų65.40%031%0.312CS..Hα-helixtrans-73.4-38.8178.6-159-102.2000112.3A15 H16 D17 H21 L22 L23 L42 L46 L51 L79 F141A15-F19 PolarHBondContact O-N 2.86Å; A15-F19 VanDerWaalsContact O-N 3.09Å; H16-F19 PolarHBondContact O-N 2.87Å; D17-F19 VanDerWaalsContact C-N 3.33Å; D17-F19 PolarHBondContact O-N 3.48Å; F19-H21 VanDerWaalsContact C-N 3.25Å; F19-H21 PolarHBondContact O-N 3.23Å; F19-L22 HydrophobicContact CD2-CD1 4.2Å; F19-L22 WeakPolarHBondContact O-CB 3.4Å; F19-L22 PolarHBondContact O-N 2.87Å; F19-L22 VanDerWaalsContact O-N 3.13Å; F19-L23 HydrophobicContact CD1-CD1 3.87Å; F19-L23 HydrophobicContact CD1-CD2 4.48Å; F19-L23 HydrophobicContact CD1-CG 4Å; F19-L23 HydrophobicContact CE1-CD1 3.91Å; F19-L23 HydrophobicContact CE1-CD2 3.93Å; F19-L23 HydrophobicContact CE1-CG 3.94Å; F19-L23 HydrophobicContact CZ-CD2 4.5Å; F19-L23 WeakPolarHBondContact O-CG 3.38Å; F19-L23 PolarHBondContact O-N 2.81Å; F19-L42 HydrophobicContact CD1-CD1 4.43Å; F19-L42 HydrophobicContact CD2-CD1 4.45Å; F19-L42 HydrophobicContact CE1-CD1 4.34Å; F19-L42 HydrophobicContact CE2-CD1 4.37Å; F19-L42 HydrophobicContact CG-CD1 4.46Å; F19-L42 HydrophobicContact CZ-CD1 4.3Å; F19-L42 HydrophobicContact CZ-CD2 4.47Å; F19-L46 HydrophobicContact CB-CD2 3.52Å; F19-L46 HydrophobicContact CD1-CD1 4.04Å; F19-L46 HydrophobicContact CD1-CD2 3.36Å; F19-L46 HydrophobicContact CD1-CG 4.34Å; F19-L46 HydrophobicContact CE1-CD1 4.27Å; F19-L46 HydrophobicContact CE1-CD2 4.29Å; F19-L46 HydrophobicContact CG-CD2 3.66Å; F19-L51 HydrophobicContact CD1-CD2 4.35Å; F19-L51 HydrophobicContact CE1-CD2 3.7Å; F19-L79 HydrophobicContact CE2-CD1 3.94Å; F19-L79 HydrophobicContact CE2-CD2 4.2Å; F19-L79 HydrophobicContact CZ-CD2 4.32Å; F19-F141 HydrophobicContact CB-CD2 4.35Å; F19-F141 HydrophobicContact CB-CE1 4.21Å; F19-F141 HydrophobicContact CB-CE2 3.68Å; F19-F141 HydrophobicContact CB-CZ 3.6Å; F19-F141 AromaticContact CD2-CD1 3.46Å; F19-F141 HydrophobicContact CD2-CD1 3.46Å; F19-F141 VanDerWaalsContact CD2-CD1 3.46Å; F19-F141 AromaticContact CD2-CD2 3.88Å; F19-F141 HydrophobicContact CD2-CD2 3.88Å; F19-F141 AromaticContact CD2-CE1 3.41Å; F19-F141 HydrophobicContact CD2-CE1 3.41Å; F19-F141 VanDerWaalsContact CD2-CE1 3.41Å; F19-F141 AromaticContact CD2-CE2 3.89Å; F19-F141 HydrophobicContact CD2-CE2 3.89Å; F19-F141 AromaticContact CD2-CG 3.7Å; F19-F141 HydrophobicContact CD2-CG 3.7Å; F19-F141 AromaticContact CD2-CZ 3.67Å; F19-F141 HydrophobicContact CD2-CZ 3.67Å; F19-F141 AromaticContact CE2-CD1 3.86Å; F19-F141 HydrophobicContact CE2-CD1 3.86Å; F19-F141 HydrophobicContact CE2-CE1 4.07Å; F19-F141 HydrophobicContact CE2-CG 4.27Å; F19-F141 HydrophobicContact CG-CE1 4.08Å; F19-F141 HydrophobicContact CG-CE2 4.27Å; F19-F141 AromaticContact CG-CZ 3.99Å; F19-F141 HydrophobicContact CG-CZ 3.99Å
20I97.9Very high96.3Very high16 Ų1661.2 Ų61.28%0.08229%0.292CS..Hα-helixtrans-57-44.2173-66.1-45.3000110.3H16 D17 L22 L23 E24 V50 H54H16-I20 WeakPolarHBondContact O-CG1 3.32Å; H16-I20 PolarHBondContact O-N 3.22Å; D17-I20 PolarHBondContact O-N 3.28Å; I20-L22 VanDerWaalsContact C-N 3.32Å; I20-L22 PolarHBondContact O-N 2.77Å; I20-L23 HydrophobicContact CD1-CD1 4.31Å; I20-L23 CarbonylContact O-C 3.39Å; I20-L23 WeakPolarHBondContact O-CB 3.3Å; I20-L23 PolarHBondContact O-N 2.83Å; I20-E24 HydrophobicContact CG2-CG 4.16Å; I20-E24 WeakPolarHBondContact O-CG 3.44Å; I20-E24 PolarHBondContact O-N 3.01Å; I20-V50 HydrophobicContact CD1-CG1 3.7Å; I20-H54 VanDerWaalsContact CD1-CD2 3.46Å; I20-H54 WeakPolarHBondContact CD1-CD2 3.35Å
21H97.5Very high96.4Very high126 Ų12658.2 Ų58.258%0.58328%0.277SS*.Hα-helixtrans-57-44.4175.4-178.162.3000112.4D17 F19 L23 E24 C25D17-H21 WeakPolarHBondContact O-CB 3.46Å; D17-H21 PolarHBondContact O-N 3.4Å; F19-H21 VanDerWaalsContact C-N 3.25Å; F19-H21 PolarHBondContact O-N 3.23Å; H21-L23 VanDerWaalsContact C-N 3.31Å; H21-L23 PolarHBondContact O-N 3.4Å; H21-E24 PolarHBondContact O-N 3.06Å; H21-E24 VanDerWaalsContact O-N 3.15Å; H21-C25 PolarHBondContact O-N 3.41Å; H21-C25 PolarHBondContact O-SG 2.97Å
22L97.1Very high96.5Very high15 Ų1557.9 Ų57.98%0.07928%0.275CS..Hα-helixtrans-60.9-38.5175-69.7170.9000112.4K18 F19 I20 I114 D139 F141K18-L22 PolarHBondContact O-N 3.28Å; F19-L22 HydrophobicContact CD2-CD1 4.2Å; F19-L22 WeakPolarHBondContact O-CB 3.4Å; F19-L22 PolarHBondContact O-N 2.87Å; F19-L22 VanDerWaalsContact O-N 3.13Å; I20-L22 VanDerWaalsContact C-N 3.32Å; I20-L22 PolarHBondContact O-N 2.77Å; L22-I114 HydrophobicContact CD1-CG2 4.03Å; L22-D139 HydrophobicContact CD2-CB 3.99Å; L22-F141 HydrophobicContact CD1-CB 3.86Å; L22-F141 HydrophobicContact CD1-CD2 4.03Å; L22-F141 HydrophobicContact CD1-CG 4.18Å
23L97.2Very high96.6Very high0 Ų055 Ų550%026%0.262CS..Hα-helixtrans-70.4-30.5175.5-63.3178.6000112.4F19 I20 H21 K30 L51 H54 V56 L77F19-L23 HydrophobicContact CD1-CD1 3.87Å; F19-L23 HydrophobicContact CD1-CD2 4.48Å; F19-L23 HydrophobicContact CD1-CG 4Å; F19-L23 HydrophobicContact CE1-CD1 3.91Å; F19-L23 HydrophobicContact CE1-CD2 3.93Å; F19-L23 HydrophobicContact CE1-CG 3.94Å; F19-L23 HydrophobicContact CZ-CD2 4.5Å; F19-L23 WeakPolarHBondContact O-CG 3.38Å; F19-L23 PolarHBondContact O-N 2.81Å; I20-L23 HydrophobicContact CD1-CD1 4.31Å; I20-L23 CarbonylContact O-C 3.39Å; I20-L23 WeakPolarHBondContact O-CB 3.3Å; I20-L23 PolarHBondContact O-N 2.83Å; H21-L23 VanDerWaalsContact C-N 3.31Å; H21-L23 PolarHBondContact O-N 3.4Å; L23-K30 HydrophobicContact CD2-CD 4.23Å; L23-K30 WeakPolarHBondContact O-CE 3.45Å; L23-K30 PolarHBondContact O-NZ 3.27Å; L23-L51 HydrophobicContact CD1-CD2 3.95Å; L23-H54 HydrophobicContact CB-CB 4.1Å; L23-H54 HydrophobicContact CD1-CB 3.84Å; L23-V56 HydrophobicContact CD1-CG2 4.42Å; L23-V56 HydrophobicContact CD2-CG2 3.93Å; L23-L77 HydrophobicContact CD2-CD1 3.51Å
24E95.8Very high96.7Very high96 Ų9649.1 Ų49.145%0.44924%0.24SC..Hα-helixtrans-90.2-11-176.2-70-178.8167.800113.8I20 H21 D26 H54I20-E24 HydrophobicContact CG2-CG 4.16Å; I20-E24 WeakPolarHBondContact O-CG 3.44Å; I20-E24 PolarHBondContact O-N 3.01Å; H21-E24 PolarHBondContact O-N 3.06Å; H21-E24 VanDerWaalsContact O-N 3.15Å; E24-D26 PolarHBondContact O-N 3.4Å; E24-D26 VanDerWaalsContact O-N 3.11Å; E24-H54 IonicContact OE1-CE1 2.73Å; E24-H54 PolarHBondContact OE1-CE1 2.97Å; E24-H54 IonicContact OE1-ND1 2.75Å; E24-H54 PolarHBondContact OE1-ND1 3.46Å
25C93.8Very high96.7Very high80 Ų8047.7 Ų47.754%0.54123%0.232SC..THydrogen-bonded Turntrans-59.2-19.6172.6-75.30000113.5H21H21-C25 PolarHBondContact O-N 3.41Å; H21-C25 PolarHBondContact O-SG 2.97Å
26D91.2Very high96.5Very high22 Ų2249.7 Ų49.712%0.11825%0.246CC..  trans-137129.1174.4-164.4-38.5000110.2E24 R28 K30 H75 K110E24-D26 PolarHBondContact O-N 3.4Å; E24-D26 VanDerWaalsContact O-N 3.11Å; D26-R28 WeakPolarHBondContact OD1-CB 2.95Å; D26-R28 WeakPolarHBondContact OD1-CG 3.41Å; D26-R28 PolarHBondContact OD1-N 2.97Å; D26-K30 WeakPolarHBondContact O-CE 3.49Å; D26-K30 PolarHBondContact O-NZ 3.24Å; D26-H75 WeakPolarHBondContact CB-ND1 3.29Å; D26-H75 IonicContact OD2-CE1 2.75Å; D26-H75 IonicContact OD2-CG 3.81Å; D26-H75 IonicContact OD2-ND1 3.48Å; D26-H75 PolarHBondContact OD2-ND1 3.33Å; D26-K110 VanDerWaalsContact OD2-CD 3.25Å; D26-K110 WeakPolarHBondContact OD2-CD 3.3Å; D26-K110 WeakPolarHBondContact OD2-CE 3.39Å; D26-K110 IonicContact OD2-NZ 3.9Å; D26-K110 PolarHBondContact OD2-NZ 3.12Å
27H91Very high96.3Very high180 Ų18051.5 Ų51.583%0.83325%0.254SS*.  trans-84.1-6-177.8-60.3-55.3000114.3
28R93.5Very high96.2Very high119 Ų11946.8 Ų46.845%0.44923%0.229SC..SBendtrans-62151.8174.7-67.3179.3-171.9-165.44111.1D26 K30 H75D26-R28 WeakPolarHBondContact OD1-CB 2.95Å; D26-R28 WeakPolarHBondContact OD1-CG 3.41Å; D26-R28 PolarHBondContact OD1-N 2.97Å; R28-K30 WeakPolarHBondContact O-CG 3.4Å; R28-K30 PolarHBondContact O-NZ 3.19Å; R28-K30 VanDerWaalsContact O-NZ 3.08Å; R28-H75 HydrophobicContact CB-CB 4.17Å
29D97.4Very high96.1Very high87 Ų8745.2 Ų45.247%0.46522%0.223SC..  trans-60.3141.9164.6-78.1-16.7000109.8V57 L74 H75D29-V57 HydrophobicContact CB-CG1 3.81Å; D29-V57 HydrophobicContact CB-CG2 4.17Å; D29-L74 HydrophobicContact CB-CD2 3.52Å; D29-L74 WeakPolarHBondContact O-CA 3.47Å; D29-H75 PolarHBondContact O-N 3.5Å
30K98Very high96Very high6 Ų646.6 Ų46.63%0.02623%0.229CC..EExtended strand (participates in β ladder)trans-121.8141.9-165.7-46.5-172177.666.70112.4L23 D26 R28 H54 G55 V56 V57 K58 H75 L77L23-K30 HydrophobicContact CD2-CD 4.23Å; L23-K30 WeakPolarHBondContact O-CE 3.45Å; L23-K30 PolarHBondContact O-NZ 3.27Å; D26-K30 WeakPolarHBondContact O-CE 3.49Å; D26-K30 PolarHBondContact O-NZ 3.24Å; R28-K30 WeakPolarHBondContact O-CG 3.4Å; R28-K30 PolarHBondContact O-NZ 3.19Å; R28-K30 VanDerWaalsContact O-NZ 3.08Å; K30-H54 PolarHBondContact NZ-O 3.08Å; K30-G55 PolarHBondContact N-O 3.12Å; K30-V56 HydrophobicContact CB-CG2 4.3Å; K30-V56 CarbonylContact O-C 3.48Å; K30-V56 WeakPolarHBondContact O-CA 3.47Å; K30-V57 VanDerWaalsContact O-CG2 3.27Å; K30-V57 WeakPolarHBondContact O-CG2 3.36Å; K30-V57 PolarHBondContact O-N 3.22Å; K30-K58 PolarHBondContact O-N 3.35Å; K30-H75 CarbonylContact C-O 3.55Å; K30-H75 WeakPolarHBondContact CA-O 3.41Å; K30-H75 HydrophobicContact CG-CB 4.29Å; K30-L77 HydrophobicContact CD-CD1 3.79Å; K30-L77 HydrophobicContact CD-CG 4.36Å
31V98.1Very high95.9Very high1 Ų145.9 Ų45.91%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-102.1120.4162.7-178.90000107V33 K58 Y60 F65 L74 H75 L77V31-V33 HydrophobicContact CG1-CG2 4.05Å; V31-K58 WeakPolarHBondContact CA-O 3.46Å; V31-K58 HydrophobicContact CG1-CB 4.37Å; V31-K58 HydrophobicContact CG2-CB 4.35Å; V31-Y60 HydrophobicContact CG1-CD2 3.49Å; V31-Y60 VanDerWaalsContact CG1-CD2 3.49Å; V31-Y60 HydrophobicContact CG1-CE2 3.76Å; V31-F65 HydrophobicContact CG1-CE2 4.26Å; V31-L74 HydrophobicContact CG2-CB 4.07Å; V31-L74 HydrophobicContact CG2-CD1 3.43Å; V31-L74 VanDerWaalsContact CG2-CD1 3.43Å; V31-L74 HydrophobicContact CG2-CG 4.38Å; V31-H75 PolarHBondContact N-O 3.01Å; V31-L77 PolarHBondContact O-N 3.41Å
32L98.4Very high95.9Very high1 Ų140.1 Ų40.11%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-94.7113.5170.8179.564.1000109I34 L42 L51 V56 K58 I59 Y60 L77 L79L32-I34 HydrophobicContact CG-CB 4.46Å; L32-L42 HydrophobicContact CD2-CD2 4.2Å; L32-L51 HydrophobicContact CD2-CD1 3.88Å; L32-L51 HydrophobicContact CD2-CD2 4.09Å; L32-V56 HydrophobicContact CB-CG1 3.68Å; L32-K58 PolarHBondContact N-O 3.34Å; L32-I59 HydrophobicContact CB-CG1 4.39Å; L32-I59 CarbonylContact O-C 2.58Å; L32-I59 VanDerWaalsContact O-CA 3.27Å; L32-I59 WeakPolarHBondContact O-CA 3.48Å; L32-Y60 PolarHBondContact O-N 2.74Å; L32-L77 HydrophobicContact CD1-CB 3.99Å; L32-L79 HydrophobicContact CD1-CB 4.08Å
33V98.4Very high95.8Very high0 Ų041.2 Ų41.20%021%0.205CC..EExtended strand (participates in β ladder)trans-100.4120.3169.5-172.10000107.6V31 Y60 W62 F65 L77 F78 L79V31-V33 HydrophobicContact CG1-CG2 4.05Å; V33-Y60 WeakPolarHBondContact CA-O 3.39Å; V33-W62 HydrophobicContact CG1-CB 4.49Å; V33-W62 HydrophobicContact CG1-CE3 3.82Å; V33-F65 HydrophobicContact CB-CG 4.41Å; V33-F65 HydrophobicContact CG1-CB 3.62Å; V33-F65 HydrophobicContact CG1-CD1 4.21Å; V33-F65 HydrophobicContact CG1-CD2 4.37Å; V33-F65 HydrophobicContact CG1-CG 3.81Å; V33-F65 HydrophobicContact CG2-CB 4.31Å; V33-F65 HydrophobicContact CG2-CD1 4.01Å; V33-F65 HydrophobicContact CG2-CD2 3.47Å; V33-F65 VanDerWaalsContact CG2-CD2 3.47Å; V33-F65 HydrophobicContact CG2-CE1 4.17Å; V33-F65 HydrophobicContact CG2-CE2 3.64Å; V33-F65 HydrophobicContact CG2-CG 3.65Å; V33-F65 HydrophobicContact CG2-CZ 3.98Å; V33-L77 PolarHBondContact N-O 2.85Å; V33-F78 HydrophobicContact CB-CD1 3.64Å; V33-F78 HydrophobicContact CB-CE1 3.86Å; V33-F78 HydrophobicContact CB-CG 4.45Å; V33-F78 HydrophobicContact CG1-CD1 3.92Å; V33-F78 HydrophobicContact CG1-CE1 4.08Å; V33-F78 HydrophobicContact CG2-CD1 4.06Å; V33-F78 HydrophobicContact CG2-CE1 3.76Å; V33-F78 HydrophobicContact CG2-CZ 4.37Å; V33-F78 CarbonylContact O-C 3.54Å; V33-F78 WeakPolarHBondContact O-CA 3.46Å; V33-L79 PolarHBondContact O-N 3.4Å
34I98.1Very high95.7Very high3 Ų342.2 Ų42.22%0.01521%0.209CC..EExtended strand (participates in β ladder)trans-129.1135.1-170.6-176.8167.2000110.9L32 S36 L38 M39 L42 I59 Y60 R61 W62 L79L32-I34 HydrophobicContact CG-CB 4.46Å; I34-S36 PolarHBondContact O-N 3.16Å; I34-L38 HydrophobicContact CD1-CB 4.12Å; I34-L38 HydrophobicContact CG1-CB 3.95Å; I34-M39 HydrophobicContact CD1-CB 4.48Å; I34-M39 HydrophobicContact CD1-CG 4.03Å; I34-M39 HydrophobicContact CG1-CG 4.09Å; I34-M39 HydrophobicContact CG2-CE 4.26Å; I34-M39 HydrophobicContact CG2-CG 3.74Å; I34-M39 HydrophobicContact CG2-SD 4.26Å; I34-L42 HydrophobicContact CD1-CB 4.24Å; I34-L42 HydrophobicContact CD1-CD2 3.56Å; I34-I59 HydrophobicContact CG2-CG2 4.12Å; I34-Y60 PolarHBondContact N-O 3.33Å; I34-R61 CarbonylContact O-C 3.07Å; I34-R61 WeakPolarHBondContact O-CA 3.34Å; I34-W62 PolarHBondContact O-N 3.03Å; I34-L79 HydrophobicContact CB-CB 4.39Å; I34-L79 HydrophobicContact CD1-CD2 3.67Å; I34-L79 HydrophobicContact CG1-CB 4.19Å; I34-L79 HydrophobicContact CG1-CD2 4.09Å
35Q96.7Very high95.8Very high24 Ų2438 Ų3811%0.11219%0.19CC..  trans-59.9135.9168.5-83.9-175.2-76.900110.6E37 L38 W62 L79 V80 L86Q35-E37 HydrophobicContact CB-CG 4.27Å; Q35-E37 PolarHBondContact O-N 3.36Å; Q35-E37 VanDerWaalsContact O-N 3.09Å; Q35-L38 HydrophobicContact CB-CD1 4.13Å; Q35-L38 HydrophobicContact CB-CG 4.22Å; Q35-L38 PolarHBondContact O-N 3.03Å; Q35-W62 HydrophobicContact CG-CB 4.27Å; Q35-W62 HydrophobicContact CG-CG 4.45Å; Q35-L79 PolarHBondContact N-O 3.2Å; Q35-L79 VanDerWaalsContact N-O 3.12Å; Q35-V80 HydrophobicContact CG-CB 4.44Å; Q35-V80 HydrophobicContact CG-CG1 4.19Å; Q35-V80 VanDerWaalsContact OE1-CA 3.26Å; Q35-L86 HydrophobicContact CG-CD1 3.94Å
36S94.8Very high95.8Very high45 Ų4534.5 Ų34.532%0.31517%0.165SC..G310 helixtrans-54.3-35.8-173.5-780000113.8I34 L38 M39 R61 E63I34-S36 PolarHBondContact O-N 3.16Å; S36-L38 VanDerWaalsContact C-N 3.35Å; S36-L38 PolarHBondContact O-N 3.49Å; S36-M39 PolarHBondContact O-N 3.49Å; S36-R61 WeakPolarHBondContact OG-CD 3.34Å; S36-E63 PolarHBondContact OG-OE2 3.5Å
37E93.1Very high95.8Very high88 Ų8834.9 Ų34.941%0.41118%0.175SC..G310 helixtrans-69.1-25.417864.6178-14000114.6Q35 P41 R81Q35-E37 HydrophobicContact CB-CG 4.27Å; Q35-E37 PolarHBondContact O-N 3.36Å; Q35-E37 VanDerWaalsContact O-N 3.09Å; E37-P41 WeakPolarHBondContact O-CD 3.36Å; E37-R81 WeakPolarHBondContact OE1-CG 3.47Å; E37-R81 IonicContact OE1-NE 3.57Å; E37-R81 PolarHBondContact OE1-NE 3.39Å; E37-R81 VanDerWaalsContact OE1-NE 3.09Å
38L96.8Very high95.9Very high0 Ų028 Ų280%015%0.148CC..G310 helixtrans-84.6-14.6-179.3-61.3176.8000112.2I34 Q35 S36 K40 P41 L42 L79 R81 V116 W143I34-L38 HydrophobicContact CD1-CB 4.12Å; I34-L38 HydrophobicContact CG1-CB 3.95Å; Q35-L38 HydrophobicContact CB-CD1 4.13Å; Q35-L38 HydrophobicContact CB-CG 4.22Å; Q35-L38 PolarHBondContact O-N 3.03Å; S36-L38 VanDerWaalsContact C-N 3.35Å; S36-L38 PolarHBondContact O-N 3.49Å; L38-K40 PolarHBondContact O-N 3.38Å; L38-P41 WeakPolarHBondContact O-CD 3.49Å; L38-L42 VanDerWaalsContact O-CB 3.24Å; L38-L42 WeakPolarHBondContact O-CB 3.28Å; L38-L42 PolarHBondContact O-N 3.18Å; L38-L79 HydrophobicContact CD1-CG 4.19Å; L38-R81 HydrophobicContact CD2-CG 4.41Å; L38-V116 HydrophobicContact CD1-CB 4.28Å; L38-V116 HydrophobicContact CD1-CG2 4.15Å; L38-V116 HydrophobicContact CD2-CB 4.25Å; L38-V116 HydrophobicContact CD2-CG1 4.18Å; L38-W143 HydrophobicContact CD2-CH2 3.58Å; L38-W143 HydrophobicContact CD2-CZ2 4.27Å; L38-W143 HydrophobicContact CD2-CZ3 4.42Å
39M95.4Very high96Very high41 Ų4129.5 Ų29.520%0.20216%0.158CC..Hα-helixtrans-62.2-45.5-176.8-62.9-171.278.900112.8I34 S36 L42 D43 R61I34-M39 HydrophobicContact CD1-CB 4.48Å; I34-M39 HydrophobicContact CD1-CG 4.03Å; I34-M39 HydrophobicContact CG1-CG 4.09Å; I34-M39 HydrophobicContact CG2-CE 4.26Å; I34-M39 HydrophobicContact CG2-CG 3.74Å; I34-M39 HydrophobicContact CG2-SD 4.26Å; S36-M39 PolarHBondContact O-N 3.49Å; M39-L42 PolarHBondContact O-N 2.86Å; M39-D43 WeakPolarHBondContact O-CB 3.5Å; M39-D43 PolarHBondContact O-N 2.88Å; M39-R61 HydrophobicContact CE-CG 4.5Å; M39-R61 HydrophobicContact SD-CG 3.75Å
40K95.1Very high95.9Very high28 Ų2826.8 Ų26.812%0.12215%0.145CC..Hα-helixtrans-70.4-44.8-178.6-72.3176.2174.9-167.30112.2L38 L42 D43 R44 N258 F261L38-K40 PolarHBondContact O-N 3.38Å; K40-L42 VanDerWaalsContact C-N 3.34Å; K40-L42 PolarHBondContact O-N 3.16Å; K40-D43 PolarHBondContact O-N 2.93Å; K40-R44 PolarHBondContact O-N 3.34Å; K40-R44 VanDerWaalsContact O-N 3.16Å; K40-N258 HydrophobicContact CD-CB 3.66Å; K40-N258 PolarHBondContact NZ-OD1 2.87Å; K40-F261 HydrophobicContact CB-CD2 4.03Å; K40-F261 HydrophobicContact CD-CB 4.11Å; K40-F261 HydrophobicContact CG-CB 4.32Å; K40-F261 HydrophobicContact CG-CD2 4.27Å; K40-F261 PolarHBondContact NZ-O 3.3Å; K40-F261 WeakPolarHBondContact O-CE2 3.25Å
41P96.7Very high95.9Very high2 Ų226.7 Ų26.71%0.01315%0.145CC..Hα-helixtrans-56.2-44.4168.5-27.733.9000113.2E37 L38 D43 R44 I45 W143 I146 E156 S259E37-P41 WeakPolarHBondContact O-CD 3.36Å; L38-P41 WeakPolarHBondContact O-CD 3.49Å; P41-D43 PolarHBondContact O-N 3.48Å; P41-R44 VanDerWaalsContact O-CB 3.29Å; P41-R44 WeakPolarHBondContact O-CB 3.45Å; P41-R44 PolarHBondContact O-N 2.94Å; P41-R44 VanDerWaalsContact O-N 3.09Å; P41-I45 PolarHBondContact O-N 2.86Å; P41-W143 HydrophobicContact CB-CH2 3.43Å; P41-W143 VanDerWaalsContact CB-CH2 3.43Å; P41-W143 HydrophobicContact CB-CZ2 3.83Å; P41-W143 HydrophobicContact CB-CZ3 4Å; P41-W143 HydrophobicContact CG-CH2 4.14Å; P41-W143 HydrophobicContact CG-CZ2 4.45Å; P41-I146 HydrophobicContact CB-CD1 3.8Å; P41-E156 HydrophobicContact CB-CB 4.19Å; P41-E156 HydrophobicContact CB-CG 4.03Å; P41-E156 HydrophobicContact CG-CB 3.97Å; P41-E156 HydrophobicContact CG-CG 3.96Å; P41-S259 WeakPolarHBondContact CD-OG 3.35Å; P41-S259 WeakPolarHBondContact CG-OG 3.39Å
42L97.1Very high95.9Very high4 Ų434.8 Ų34.82%0.02118%0.175CC..Hα-helixtrans-64.2-41.1178.8-17565.9000111.6F19 L32 I34 L38 M39 K40 R44 I45 L46 L51 L79 F141F19-L42 HydrophobicContact CD1-CD1 4.43Å; F19-L42 HydrophobicContact CD2-CD1 4.45Å; F19-L42 HydrophobicContact CE1-CD1 4.34Å; F19-L42 HydrophobicContact CE2-CD1 4.37Å; F19-L42 HydrophobicContact CG-CD1 4.46Å; F19-L42 HydrophobicContact CZ-CD1 4.3Å; F19-L42 HydrophobicContact CZ-CD2 4.47Å; L32-L42 HydrophobicContact CD2-CD2 4.2Å; I34-L42 HydrophobicContact CD1-CB 4.24Å; I34-L42 HydrophobicContact CD1-CD2 3.56Å; L38-L42 VanDerWaalsContact O-CB 3.24Å; L38-L42 WeakPolarHBondContact O-CB 3.28Å; L38-L42 PolarHBondContact O-N 3.18Å; M39-L42 PolarHBondContact O-N 2.86Å; K40-L42 VanDerWaalsContact C-N 3.34Å; K40-L42 PolarHBondContact O-N 3.16Å; L42-R44 PolarHBondContact O-N 3.2Å; L42-I45 CarbonylContact O-C 3.5Å; L42-I45 WeakPolarHBondContact O-CA 3.31Å; L42-I45 WeakPolarHBondContact O-CB 3.44Å; L42-I45 PolarHBondContact O-N 3.21Å; L42-L46 HydrophobicContact CD1-CD1 4.17Å; L42-L46 HydrophobicContact CD1-CD2 3.97Å; L42-L46 HydrophobicContact CD1-CG 3.94Å; L42-L46 HydrophobicContact CG-CD1 4.26Å; L42-L46 HydrophobicContact CG-CG 4.32Å; L42-L46 PolarHBondContact O-N 3.13Å; L42-L51 HydrophobicContact CD2-CD1 4.49Å; L42-L79 HydrophobicContact CD1-CD2 4.42Å; L42-L79 HydrophobicContact CD2-CD2 3.9Å; L42-F141 HydrophobicContact CD1-CE1 4.12Å
43D95.4Very high95.8Very high39 Ų3940.6 Ų40.621%0.20920%0.202CC..Hα-helixtrans-63-23.2175.1-82.9-30.2000112.7M39 K40 P41 I45 F261 R277M39-D43 WeakPolarHBondContact O-CB 3.5Å; M39-D43 PolarHBondContact O-N 2.88Å; K40-D43 PolarHBondContact O-N 2.93Å; P41-D43 PolarHBondContact O-N 3.48Å; D43-I45 VanDerWaalsContact C-N 3.26Å; D43-F261 HydrophobicContact CB-CE2 4Å; D43-F261 HydrophobicContact CB-CZ 4Å; D43-R277 IonicContact OD2-CZ 3.88Å; D43-R277 IonicContact OD2-NH1 3.19Å; D43-R277 PolarHBondContact OD2-NH1 2.77Å; D43-R277 IonicContact OD2-NH2 3.19Å; D43-R277 PolarHBondContact OD2-NH2 2.86Å
44R95.7Very high95.7Very high21 Ų2143 Ų438%0.07921%0.213CC..Hα-helixtrans-71.8-19.5168.3-69.2-62.8-63.4-158.63.4112.6Q12 K40 P41 L42 I146 P147 L148 S259 F261Q12-R44 VanDerWaalsContact CD-O 3.29Å; Q12-R44 WeakPolarHBondContact CG-O 3.43Å; Q12-R44 PolarHBondContact NE2-O 3.04Å; K40-R44 PolarHBondContact O-N 3.34Å; K40-R44 VanDerWaalsContact O-N 3.16Å; P41-R44 VanDerWaalsContact O-CB 3.29Å; P41-R44 WeakPolarHBondContact O-CB 3.45Å; P41-R44 PolarHBondContact O-N 2.94Å; P41-R44 VanDerWaalsContact O-N 3.09Å; L42-R44 PolarHBondContact O-N 3.2Å; R44-I146 HydrophobicContact CB-CG2 3.56Å; R44-I146 HydrophobicContact CG-CG2 4.04Å; R44-P147 PolarHBondContact NE-O 3.49Å; R44-P147 PolarHBondContact NH2-O 3.1Å; R44-L148 PolarHBondContact NH2-O 3.37Å; R44-S259 VanDerWaalsContact CD-O 3.29Å; R44-S259 WeakPolarHBondContact CD-O 3.38Å; R44-S259 WeakPolarHBondContact CG-O 3.31Å; R44-F261 HydrophobicContact CG-CE2 3.83Å
45I96.8Very high95.7Very high8 Ų843.8 Ų43.84%0.04122%0.222CC..Hα-helixtrans-99.5-47.5-178.7-59.3166.8000109.8A15 H16 P41 L42 D43 F141 W143 I146A15-I45 HydrophobicContact CB-CD1 4.06Å; A15-I45 HydrophobicContact CB-CG1 4.23Å; A15-I45 HydrophobicContact CB-CG2 3.79Å; H16-I45 VanDerWaalsContact CA-CG2 3.49Å; H16-I45 HydrophobicContact CB-CG2 3.98Å; H16-I45 VanDerWaalsContact N-CG2 3.26Å; P41-I45 PolarHBondContact O-N 2.86Å; L42-I45 CarbonylContact O-C 3.5Å; L42-I45 WeakPolarHBondContact O-CA 3.31Å; L42-I45 WeakPolarHBondContact O-CB 3.44Å; L42-I45 PolarHBondContact O-N 3.21Å; D43-I45 VanDerWaalsContact C-N 3.26Å; I45-F141 HydrophobicContact CD1-CE1 4.11Å; I45-F141 HydrophobicContact CD1-CZ 4.04Å; I45-W143 HydrophobicContact CD1-CB 3.57Å; I45-W143 HydrophobicContact CD1-CD2 4.02Å; I45-W143 HydrophobicContact CD1-CE3 3.7Å; I45-W143 HydrophobicContact CD1-CG 4.02Å; I45-I146 HydrophobicContact CD1-CD1 3.95Å; I45-I146 HydrophobicContact CD1-CG1 4.21Å; I45-I146 HydrophobicContact CG1-CD1 4.28Å; I45-I146 HydrophobicContact CG1-CG1 4.31Å
46L95Very high95.7Very high6 Ų642.7 Ų42.73%0.03122%0.217CC..  trans-153.8134.9-176.757.2103.2000110.6F19 L42 V50 L51F19-L46 HydrophobicContact CB-CD2 3.52Å; F19-L46 HydrophobicContact CD1-CD1 4.04Å; F19-L46 HydrophobicContact CD1-CD2 3.36Å; F19-L46 HydrophobicContact CD1-CG 4.34Å; F19-L46 HydrophobicContact CE1-CD1 4.27Å; F19-L46 HydrophobicContact CE1-CD2 4.29Å; F19-L46 HydrophobicContact CG-CD2 3.66Å; L42-L46 HydrophobicContact CD1-CD1 4.17Å; L42-L46 HydrophobicContact CD1-CD2 3.97Å; L42-L46 HydrophobicContact CD1-CG 3.94Å; L42-L46 HydrophobicContact CG-CD1 4.26Å; L42-L46 HydrophobicContact CG-CG 4.32Å; L42-L46 PolarHBondContact O-N 3.13Å; L46-V50 HydrophobicContact CB-CB 4.37Å; L46-V50 HydrophobicContact CB-CG1 4.34Å; L46-L51 HydrophobicContact CD1-CD1 4.1Å; L46-L51 HydrophobicContact CD1-CD2 3.22Å; L46-L51 HydrophobicContact CD1-CG 3.4Å
47G91.6Very high95.9Very high30 Ų3044 Ų4431%0.30922%0.223SC..  trans-86.9166.7-179.800000113.3K49 V50 L51G47-K49 PolarHBondContact O-N 3.35Å; G47-V50 WeakPolarHBondContact O-CB 3.44Å; G47-V50 PolarHBondContact O-N 3.27Å; G47-L51 PolarHBondContact O-N 3.43Å
48A92Very high96.1Very high34 Ų3444.3 Ų44.328%0.28122%0.223SC..Hα-helixtrans-53-27.1176.800000114.9R52 I59A48-R52 VanDerWaalsContact O-CG 3.3Å; A48-R52 WeakPolarHBondContact O-CG 3.26Å; A48-R52 PolarHBondContact O-N 3.2Å; A48-R52 VanDerWaalsContact O-N 3.15Å; A48-I59 HydrophobicContact CB-CD1 4.4Å
49K94.9Very high96.1Very high151 Ų15147.1 Ų47.166%0.65724%0.237SC*.Hα-helixtrans-64.1-45174.3-175.8-177.4176.6-1740111.4G47 R52 Q53G47-K49 PolarHBondContact O-N 3.35Å; K49-R52 PolarHBondContact O-N 3.16Å; K49-Q53 VanDerWaalsContact O-CG 3.32Å; K49-Q53 WeakPolarHBondContact O-CG 3.49Å; K49-Q53 PolarHBondContact O-N 3.11Å; K49-Q53 VanDerWaalsContact O-N 3.09Å
50V96.9Very high96.2Very high30 Ų3047.6 Ų47.618%0.18224%0.237CC..Hα-helixtrans-67.7-45.7179.4178.60000109.7I20 L46 G47 R52 Q53 H54I20-V50 HydrophobicContact CD1-CG1 3.7Å; L46-V50 HydrophobicContact CB-CB 4.37Å; L46-V50 HydrophobicContact CB-CG1 4.34Å; G47-V50 WeakPolarHBondContact O-CB 3.44Å; G47-V50 PolarHBondContact O-N 3.27Å; V50-R52 VanDerWaalsContact C-N 3.27Å; V50-R52 PolarHBondContact O-N 2.96Å; V50-Q53 WeakPolarHBondContact O-CA 3.48Å; V50-Q53 WeakPolarHBondContact O-CB 3.36Å; V50-Q53 PolarHBondContact O-N 3.45Å; V50-H54 PolarHBondContact O-CD2 3Å; V50-H54 VanDerWaalsContact O-CD2 3.29Å; V50-H54 PolarHBondContact O-N 3.46Å; V50-H54 VanDerWaalsContact O-N 3.11Å
51L97.6Very high96.3Very high5 Ų552 Ų523%0.02625%0.253CS..Hα-helixtrans-50.1-48.1174-70.8174.8000112.3F19 L23 L32 L42 L46 G47 Q53 H54 G55 V56 I59F19-L51 HydrophobicContact CD1-CD2 4.35Å; F19-L51 HydrophobicContact CE1-CD2 3.7Å; L23-L51 HydrophobicContact CD1-CD2 3.95Å; L32-L51 HydrophobicContact CD2-CD1 3.88Å; L32-L51 HydrophobicContact CD2-CD2 4.09Å; L42-L51 HydrophobicContact CD2-CD1 4.49Å; L46-L51 HydrophobicContact CD1-CD1 4.1Å; L46-L51 HydrophobicContact CD1-CD2 3.22Å; L46-L51 HydrophobicContact CD1-CG 3.4Å; G47-L51 PolarHBondContact O-N 3.43Å; L51-Q53 VanDerWaalsContact C-N 3.35Å; L51-Q53 PolarHBondContact O-N 2.9Å; L51-H54 CarbonylContact O-C 3.51Å; L51-H54 PolarHBondContact O-N 2.92Å; L51-G55 PolarHBondContact O-N 3.02Å; L51-V56 HydrophobicContact CB-CB 3.99Å; L51-V56 HydrophobicContact CB-CG1 4.44Å; L51-V56 HydrophobicContact CB-CG2 4.12Å; L51-V56 HydrophobicContact CD2-CG2 4.19Å; L51-V56 VanDerWaalsContact O-CB 3.26Å; L51-V56 WeakPolarHBondContact O-CB 3.44Å; L51-V56 WeakPolarHBondContact O-CG2 3.42Å; L51-V56 PolarHBondContact O-N 3.45Å; L51-I59 HydrophobicContact CB-CD1 4.43Å; L51-I59 HydrophobicContact CD1-CD1 3.61Å
52R97.2Very high96.3Very high170 Ų17052.4 Ų52.464%0.64225%0.254SS*.Hα-helixtrans-65.3-35.6177.9-70.7172.1-171.1147.93113.1A48 K49 V50 H54 G55 V56A48-R52 VanDerWaalsContact O-CG 3.3Å; A48-R52 WeakPolarHBondContact O-CG 3.26Å; A48-R52 PolarHBondContact O-N 3.2Å; A48-R52 VanDerWaalsContact O-N 3.15Å; K49-R52 PolarHBondContact O-N 3.16Å; V50-R52 VanDerWaalsContact C-N 3.27Å; V50-R52 PolarHBondContact O-N 2.96Å; R52-H54 PolarHBondContact O-N 3.41Å; R52-G55 PolarHBondContact O-N 3.41Å; R52-V56 WeakPolarHBondContact CA-O 3.48Å; R52-V56 WeakPolarHBondContact CG-O 3.36Å
53Q96.7Very high96.2Very high124 Ų12457.7 Ų57.758%0.57928%0.279SS*.Hα-helixtrans-63.6-29.5175.9-73.8170.8-33.500112.1K49 V50 L51K49-Q53 VanDerWaalsContact O-CG 3.32Å; K49-Q53 WeakPolarHBondContact O-CG 3.49Å; K49-Q53 PolarHBondContact O-N 3.11Å; K49-Q53 VanDerWaalsContact O-N 3.09Å; V50-Q53 WeakPolarHBondContact O-CA 3.48Å; V50-Q53 WeakPolarHBondContact O-CB 3.36Å; V50-Q53 PolarHBondContact O-N 3.45Å; L51-Q53 VanDerWaalsContact C-N 3.35Å; L51-Q53 PolarHBondContact O-N 2.9Å
54H97Very high96.2Very high51 Ų5160.9 Ų60.924%0.23629%0.292CS..THydrogen-bonded Turntrans-102.330.2178.4-63.6-88.7000113.2I20 L23 E24 K30 V50 L51 R52I20-H54 VanDerWaalsContact CD1-CD2 3.46Å; I20-H54 WeakPolarHBondContact CD1-CD2 3.35Å; L23-H54 HydrophobicContact CB-CB 4.1Å; L23-H54 HydrophobicContact CD1-CB 3.84Å; E24-H54 IonicContact OE1-CE1 2.73Å; E24-H54 PolarHBondContact OE1-CE1 2.97Å; E24-H54 IonicContact OE1-ND1 2.75Å; E24-H54 PolarHBondContact OE1-ND1 3.46Å; K30-H54 PolarHBondContact NZ-O 3.08Å; V50-H54 PolarHBondContact O-CD2 3Å; V50-H54 VanDerWaalsContact O-CD2 3.29Å; V50-H54 PolarHBondContact O-N 3.46Å; V50-H54 VanDerWaalsContact O-N 3.11Å; L51-H54 CarbonylContact O-C 3.51Å; L51-H54 PolarHBondContact O-N 2.92Å; R52-H54 PolarHBondContact O-N 3.41Å
55G96.7Very high96.2Very high19 Ų1960 Ų6020%0.19629%0.289CS..THydrogen-bonded Turntrans87.37.7167.900000116K30 L51 R52 V57K30-G55 PolarHBondContact N-O 3.12Å; L51-G55 PolarHBondContact O-N 3.02Å; R52-G55 PolarHBondContact O-N 3.41Å; G55-V57 PolarHBondContact O-N 2.96Å
56V98.1Very high96.1Very high1 Ų163 Ų631%0.00631%0.308CS..EExtended strand (participates in β ladder)trans-78.7101.1173.4-176.60000110L23 K30 L32 L51 R52 K58 I59L23-V56 HydrophobicContact CD1-CG2 4.42Å; L23-V56 HydrophobicContact CD2-CG2 3.93Å; K30-V56 HydrophobicContact CB-CG2 4.3Å; K30-V56 CarbonylContact O-C 3.48Å; K30-V56 WeakPolarHBondContact O-CA 3.47Å; L32-V56 HydrophobicContact CB-CG1 3.68Å; L51-V56 HydrophobicContact CB-CB 3.99Å; L51-V56 HydrophobicContact CB-CG1 4.44Å; L51-V56 HydrophobicContact CB-CG2 4.12Å; L51-V56 HydrophobicContact CD2-CG2 4.19Å; L51-V56 VanDerWaalsContact O-CB 3.26Å; L51-V56 WeakPolarHBondContact O-CB 3.44Å; L51-V56 WeakPolarHBondContact O-CG2 3.42Å; L51-V56 PolarHBondContact O-N 3.45Å; R52-V56 WeakPolarHBondContact CA-O 3.48Å; R52-V56 WeakPolarHBondContact CG-O 3.36Å; V56-K58 WeakPolarHBondContact CG1-O 3.42Å; V56-I59 HydrophobicContact CG1-CD1 4.38Å; V56-I59 HydrophobicContact CG1-CG1 3.69Å
57V97.7Very high95.9Very high71 Ų7166.3 Ų66.343%0.4333%0.329SS..EExtended strand (participates in β ladder)trans-82.8-29.7-177.2-66.30000112.8D29 K30 G55 L74D29-V57 HydrophobicContact CB-CG1 3.81Å; D29-V57 HydrophobicContact CB-CG2 4.17Å; K30-V57 VanDerWaalsContact O-CG2 3.27Å; K30-V57 WeakPolarHBondContact O-CG2 3.36Å; K30-V57 PolarHBondContact O-N 3.22Å; G55-V57 PolarHBondContact O-N 2.96Å; V57-L74 HydrophobicContact CG2-CD1 4.19Å; V57-L74 HydrophobicContact CG2-CD2 4.3Å
58K97.2Very high95.9Very high96 Ų9669.1 Ų69.142%0.41735%0.349SS..EExtended strand (participates in β ladder)trans-138.7143.6179.7-63.8179.2-177.9174.30110.4K30 V31 L32 V56 Y60K30-K58 PolarHBondContact O-N 3.35Å; V31-K58 WeakPolarHBondContact CA-O 3.46Å; V31-K58 HydrophobicContact CG1-CB 4.37Å; V31-K58 HydrophobicContact CG2-CB 4.35Å; L32-K58 PolarHBondContact N-O 3.34Å; V56-K58 WeakPolarHBondContact CG1-O 3.42Å; K58-Y60 HydrophobicContact CB-CD2 4.46Å; K58-Y60 HydrophobicContact CB-CE2 3.88Å; K58-Y60 HydrophobicContact CD-CE2 4.01Å
59I96.9Very high96Very high59 Ų5970.3 Ų70.330%0.30335%0.35SS..EExtended strand (participates in β ladder)trans-125.4123.1174.3-55.9172.9000107.2L32 I34 A48 L51 V56L32-I59 HydrophobicContact CB-CG1 4.39Å; L32-I59 CarbonylContact O-C 2.58Å; L32-I59 VanDerWaalsContact O-CA 3.27Å; L32-I59 WeakPolarHBondContact O-CA 3.48Å; I34-I59 HydrophobicContact CG2-CG2 4.12Å; A48-I59 HydrophobicContact CB-CD1 4.4Å; L51-I59 HydrophobicContact CB-CD1 4.43Å; L51-I59 HydrophobicContact CD1-CD1 3.61Å; V56-I59 HydrophobicContact CG1-CD1 4.38Å; V56-I59 HydrophobicContact CG1-CG1 3.69Å
60Y97.9Very high95.9Very high50 Ų5064.7 Ų64.720%0.19633%0.327CS..EExtended strand (participates in β ladder)trans-117.5142.4175.2-66.8-73.9000110V31 L32 V33 I34 K58 F65 L69V31-Y60 HydrophobicContact CG1-CD2 3.49Å; V31-Y60 VanDerWaalsContact CG1-CD2 3.49Å; V31-Y60 HydrophobicContact CG1-CE2 3.76Å; L32-Y60 PolarHBondContact O-N 2.74Å; V33-Y60 WeakPolarHBondContact CA-O 3.39Å; I34-Y60 PolarHBondContact N-O 3.33Å; K58-Y60 HydrophobicContact CB-CD2 4.46Å; K58-Y60 HydrophobicContact CB-CE2 3.88Å; K58-Y60 HydrophobicContact CD-CE2 4.01Å; Y60-F65 AromaticContact CD2-CD2 3.78Å; Y60-F65 HydrophobicContact CD2-CD2 3.78Å; Y60-F65 HydrophobicContact CD2-CE2 4.14Å; Y60-F65 HydrophobicContact CE2-CD2 4.46Å; Y60-F65 HydrophobicContact CG-CD2 4.04Å; Y60-L69 HydrophobicContact CD1-CD1 4.27Å; Y60-L69 HydrophobicContact CE1-CD1 4.03Å
61R97.4Very high95.8Very high120 Ų12066 Ų6645%0.45333%0.333SS..EExtended strand (participates in β ladder)trans-68.2143.2160.9-69.1-179.7179.2158.6-4.2108.9I34 S36 M39 E63 E64 F65I34-R61 CarbonylContact O-C 3.07Å; I34-R61 WeakPolarHBondContact O-CA 3.34Å; S36-R61 WeakPolarHBondContact OG-CD 3.34Å; M39-R61 HydrophobicContact CE-CG 4.5Å; M39-R61 HydrophobicContact SD-CG 3.75Å; R61-E63 WeakPolarHBondContact CB-OE2 3.44Å; R61-E63 PolarHBondContact O-N 2.94Å; R61-E63 VanDerWaalsContact O-N 3.16Å; R61-E64 HydrophobicContact CB-CB 4.4Å; R61-E64 HydrophobicContact CB-CG 4.11Å; R61-E64 IonicContact NH1-OE1 3.98Å; R61-E64 PolarHBondContact O-N 3.39Å; R61-F65 PolarHBondContact O-N 3.1Å
62W96.9Very high95.5Very high12 Ų1269.1 Ų69.15%0.04535%0.349CS..G310 helixtrans-51.1-40.1177.4171.4-105.2000112.2V33 I34 Q35 E64 F65 F78 L86 R89 V90 M93V33-W62 HydrophobicContact CG1-CB 4.49Å; V33-W62 HydrophobicContact CG1-CE3 3.82Å; I34-W62 PolarHBondContact O-N 3.03Å; Q35-W62 HydrophobicContact CG-CB 4.27Å; Q35-W62 HydrophobicContact CG-CG 4.45Å; W62-E64 PolarHBondContact O-N 3.03Å; W62-F65 PolarHBondContact O-N 3.06Å; W62-F78 HydrophobicContact CE3-CD1 4.14Å; W62-F78 AromaticContact CZ3-CD1 3.68Å; W62-F78 HydrophobicContact CZ3-CD1 3.68Å; W62-F78 AromaticContact CZ3-CE1 3.99Å; W62-F78 HydrophobicContact CZ3-CE1 3.99Å; W62-L86 HydrophobicContact CD2-CD2 4.23Å; W62-L86 HydrophobicContact CZ2-CD2 3.55Å; W62-R89 HydrophobicContact CH2-CB 3.99Å; W62-R89 HydrophobicContact CZ2-CB 3.93Å; W62-V90 HydrophobicContact CH2-CG2 3.64Å; W62-V90 HydrophobicContact CZ3-CG2 3.64Å; W62-M93 HydrophobicContact CH2-CE 3.93Å; W62-M93 HydrophobicContact CZ3-CE 4.31Å
63E94.4Very high95.3Very high114 Ų11471 Ų7153%0.53336%0.357SS..G310 helixtrans-68.3-24-178.2-57.176.3-160.100113.1S36 R61S36-E63 PolarHBondContact OG-OE2 3.5Å; R61-E63 WeakPolarHBondContact CB-OE2 3.44Å; R61-E63 PolarHBondContact O-N 2.94Å; R61-E63 VanDerWaalsContact O-N 3.16Å
64E95.5Very high95.2Very high106 Ų10665.8 Ų65.850%0.49533%0.333SS..G310 helixtrans-92.6-13.9-180-63.8168.2-174.600111.9R61 W62R61-E64 HydrophobicContact CB-CB 4.4Å; R61-E64 HydrophobicContact CB-CG 4.11Å; R61-E64 IonicContact NH1-OE1 3.98Å; R61-E64 PolarHBondContact O-N 3.39Å; W62-E64 PolarHBondContact O-N 3.03Å
65F97Very high95.2Very high3 Ų363.4 Ų63.41%0.01332%0.322CS..  trans-85.6130.5-174.8-167.4-98.4000112.3V31 V33 Y60 R61 W62 L69 I70 H76 F78 M93V31-F65 HydrophobicContact CG1-CE2 4.26Å; V33-F65 HydrophobicContact CB-CG 4.41Å; V33-F65 HydrophobicContact CG1-CB 3.62Å; V33-F65 HydrophobicContact CG1-CD1 4.21Å; V33-F65 HydrophobicContact CG1-CD2 4.37Å; V33-F65 HydrophobicContact CG1-CG 3.81Å; V33-F65 HydrophobicContact CG2-CB 4.31Å; V33-F65 HydrophobicContact CG2-CD1 4.01Å; V33-F65 HydrophobicContact CG2-CD2 3.47Å; V33-F65 VanDerWaalsContact CG2-CD2 3.47Å; V33-F65 HydrophobicContact CG2-CE1 4.17Å; V33-F65 HydrophobicContact CG2-CE2 3.64Å; V33-F65 HydrophobicContact CG2-CG 3.65Å; V33-F65 HydrophobicContact CG2-CZ 3.98Å; Y60-F65 AromaticContact CD2-CD2 3.78Å; Y60-F65 HydrophobicContact CD2-CD2 3.78Å; Y60-F65 HydrophobicContact CD2-CE2 4.14Å; Y60-F65 HydrophobicContact CE2-CD2 4.46Å; Y60-F65 HydrophobicContact CG-CD2 4.04Å; R61-F65 PolarHBondContact O-N 3.1Å; W62-F65 PolarHBondContact O-N 3.06Å; F65-L69 HydrophobicContact CD2-CB 3.99Å; F65-L69 HydrophobicContact CD2-CD1 4.08Å; F65-L69 HydrophobicContact CE2-CB 3.71Å; F65-L69 HydrophobicContact CZ-CB 4.36Å; F65-I70 HydrophobicContact CE1-CG1 4.14Å; F65-I70 HydrophobicContact CZ-CG1 3.92Å; F65-H76 AromaticContact CZ-ND1 3.8Å; F65-F78 AromaticContact CD1-CE1 3.85Å; F65-F78 HydrophobicContact CD1-CE1 3.85Å; F65-F78 HydrophobicContact CD1-CZ 4.41Å; F65-F78 AromaticContact CE1-CE1 3.65Å; F65-F78 HydrophobicContact CE1-CE1 3.65Å; F65-F78 AromaticContact CE1-CZ 3.74Å; F65-F78 HydrophobicContact CE1-CZ 3.74Å; F65-F78 HydrophobicContact CZ-CE1 4.4Å; F65-F78 HydrophobicContact CZ-CZ 4.25Å; F65-M93 HydrophobicContact CD1-CE 4.39Å; F65-M93 HydrophobicContact CD1-SD 4.21Å; F65-M93 HydrophobicContact CE1-SD 3.99Å
66T93.7Very high95.3Very high72 Ų7262.5 Ų62.544%0.44231%0.313SS..  trans-133.4163.5178.966.80000110.3A68 L69T66-A68 PolarHBondContact O-N 2.96Å; T66-A68 VanDerWaalsContact O-N 3.11Å; T66-L69 WeakPolarHBondContact O-CB 3.37Å; T66-L69 PolarHBondContact O-N 3.12Å
67T90.3Very high95.3Very high75 Ų7562.5 Ų62.546%0.4631%0.312SS..G310 helixtrans-56.5-27176.945.30000113.3L69 I70 M93T67-L69 PolarHBondContact O-N 3.21Å; T67-I70 HydrophobicContact CG2-CD1 4.31Å; T67-I70 WeakPolarHBondContact O-CB 3.45Å; T67-I70 WeakPolarHBondContact O-CG1 3.33Å; T67-I70 PolarHBondContact O-N 2.92Å; T67-M93 HydrophobicContact CG2-CB 4.38Å; T67-M93 HydrophobicContact CG2-CG 3.78Å
68A91.4Very high95.3Very high89 Ų8959.1 Ų59.174%0.73629%0.292SS*.G310 helixtrans-68-15.2176.500000113.8T66T66-A68 PolarHBondContact O-N 2.96Å; T66-A68 VanDerWaalsContact O-N 3.11Å
69L94.9Very high95.3Very high58 Ų5854.5 Ų54.530%0.30427%0.272SS..G310 helixtrans-95-1.8177.9-62.7173.5000112.9Y60 F65 T66 T67 D71Y60-L69 HydrophobicContact CD1-CD1 4.27Å; Y60-L69 HydrophobicContact CE1-CD1 4.03Å; F65-L69 HydrophobicContact CD2-CB 3.99Å; F65-L69 HydrophobicContact CD2-CD1 4.08Å; F65-L69 HydrophobicContact CE2-CB 3.71Å; F65-L69 HydrophobicContact CZ-CB 4.36Å; T66-L69 WeakPolarHBondContact O-CB 3.37Å; T66-L69 PolarHBondContact O-N 3.12Å; T67-L69 PolarHBondContact O-N 3.21Å; L69-D71 PolarHBondContact O-N 3.39Å
70I93.8Very high95.4Very high34 Ų3451.7 Ų51.717%0.17426%0.257CS..  trans-69.8127175.4-62.3173.8000108.6F65 T67 M93 F94 V107 A109F65-I70 HydrophobicContact CE1-CG1 4.14Å; F65-I70 HydrophobicContact CZ-CG1 3.92Å; T67-I70 HydrophobicContact CG2-CD1 4.31Å; T67-I70 WeakPolarHBondContact O-CB 3.45Å; T67-I70 WeakPolarHBondContact O-CG1 3.33Å; T67-I70 PolarHBondContact O-N 2.92Å; I70-M93 HydrophobicContact CD1-CB 3.91Å; I70-M93 HydrophobicContact CD1-CG 4.39Å; I70-F94 HydrophobicContact CD1-CE2 4.42Å; I70-F94 HydrophobicContact CD1-CZ 4.26Å; I70-F94 HydrophobicContact CG2-CE1 4.42Å; I70-V107 HydrophobicContact CG2-CG1 4.08Å; I70-A109 HydrophobicContact CG2-CB 3.57Å
71D93.2Very high95.3Very high56 Ų5649.9 Ų49.930%0.29925%0.25SS..  trans-118.9118.7176.6-174-25.3000108.5L69 R73 L74 H76L69-D71 PolarHBondContact O-N 3.39Å; D71-R73 PolarHBondContact O-N 3.05Å; D71-R73 VanDerWaalsContact O-N 3.13Å; D71-R73 WeakPolarHBondContact OD1-CB 3.15Å; D71-R73 PolarHBondContact OD1-N 3.31Å; D71-L74 HydrophobicContact CB-CB 4.29Å; D71-L74 HydrophobicContact CB-CD1 3.83Å; D71-L74 HydrophobicContact CB-CG 3.92Å; D71-L74 PolarHBondContact O-N 3.41Å; D71-H76 PolarHBondContact N-CE1 3.13Å; D71-H76 VanDerWaalsContact N-CE1 3.31Å; D71-H76 PolarHBondContact N-NE2 3.29Å; D71-H76 PolarHBondContact O-NE2 3.48Å
72D91.4Very high95.1Very high71 Ų7145.1 Ų45.138%0.3824%0.235SC..THydrogen-bonded Turntrans-58.9-21.3-178.7-80.6-32.2000114.3T108 A109D72-T108 VanDerWaalsContact CB-OG1 3.29Å; D72-T108 WeakPolarHBondContact CB-OG1 3.42Å; D72-T108 PolarHBondContact OD1-N 3.45Å; D72-T108 PolarHBondContact OD1-OG1 3.5Å; D72-A109 PolarHBondContact OD1-N 3.18Å
73R93Very high94.9Very high209 Ų20948.2 Ų48.279%0.78925%0.252SS*.THydrogen-bonded Turntrans-83.7-16.3179.9-57.3172.3-174.2176.12.4112.6D71D71-R73 PolarHBondContact O-N 3.05Å; D71-R73 VanDerWaalsContact O-N 3.13Å; D71-R73 WeakPolarHBondContact OD1-CB 3.15Å; D71-R73 PolarHBondContact OD1-N 3.31Å
74L95.7Very high94.8Very high16 Ų1646.4 Ų46.48%0.08425%0.246CC..SBendtrans-106.2155.9-170.7-56.4-178.4000111.8D29 V31 V57 D71 H76D29-L74 HydrophobicContact CB-CD2 3.52Å; D29-L74 WeakPolarHBondContact O-CA 3.47Å; V31-L74 HydrophobicContact CG2-CB 4.07Å; V31-L74 HydrophobicContact CG2-CD1 3.43Å; V31-L74 VanDerWaalsContact CG2-CD1 3.43Å; V31-L74 HydrophobicContact CG2-CG 4.38Å; V57-L74 HydrophobicContact CG2-CD1 4.19Å; V57-L74 HydrophobicContact CG2-CD2 4.3Å; D71-L74 HydrophobicContact CB-CB 4.29Å; D71-L74 HydrophobicContact CB-CD1 3.83Å; D71-L74 HydrophobicContact CB-CG 3.92Å; D71-L74 PolarHBondContact O-N 3.41Å; L74-H76 PolarHBondContact O-CD2 2.95Å
75H96.8Very high94.8Very high1 Ų143.1 Ų43.11%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-93.5118.6168.7-175.1-170000109.6D26 R28 D29 K30 V31 L77 K110 Q112D26-H75 WeakPolarHBondContact CB-ND1 3.29Å; D26-H75 IonicContact OD2-CE1 2.75Å; D26-H75 IonicContact OD2-CG 3.81Å; D26-H75 IonicContact OD2-ND1 3.48Å; D26-H75 PolarHBondContact OD2-ND1 3.33Å; R28-H75 HydrophobicContact CB-CB 4.17Å; D29-H75 PolarHBondContact O-N 3.5Å; K30-H75 CarbonylContact C-O 3.55Å; K30-H75 WeakPolarHBondContact CA-O 3.41Å; K30-H75 HydrophobicContact CG-CB 4.29Å; V31-H75 PolarHBondContact N-O 3.01Å; H75-L77 VanDerWaalsContact CE1-CD2 3.4Å; H75-L77 WeakPolarHBondContact CE1-CD2 3.39Å; H75-L77 WeakPolarHBondContact NE2-CD2 3.35Å; H75-K110 PolarHBondContact CD2-O 3.18Å; H75-K110 WeakPolarHBondContact NE2-CE 3.44Å; H75-Q112 PolarHBondContact CE1-OE1 3.38Å; H75-Q112 WeakPolarHBondContact NE2-CB 3.36Å; H75-Q112 PolarHBondContact NE2-OE1 2.96Å; H75-Q112 VanDerWaalsContact NE2-OE1 3.15Å
76H97.6Very high94.7Very high0 Ų043.7 Ų43.70%024%0.244CC..EExtended strand (participates in β ladder)trans-96106.4-177.7-61.6-94.5000109.9F65 D71 L74 F78 F94 K110 Q112F65-H76 AromaticContact CZ-ND1 3.8Å; D71-H76 PolarHBondContact N-CE1 3.13Å; D71-H76 VanDerWaalsContact N-CE1 3.31Å; D71-H76 PolarHBondContact N-NE2 3.29Å; D71-H76 PolarHBondContact O-NE2 3.48Å; L74-H76 PolarHBondContact O-CD2 2.95Å; H76-F78 HydrophobicContact CB-CD2 4.5Å; H76-F78 HydrophobicContact CB-CE2 3.62Å; H76-F78 HydrophobicContact CB-CZ 3.96Å; H76-F78 WeakPolarHBondContact O-CD2 3.48Å; H76-F94 HydrophobicContact CB-CZ 3.91Å; H76-K110 PolarHBondContact N-O 3.49Å; H76-Q112 PolarHBondContact O-N 3.19Å
77L98.2Very high94.9Very high0 Ų040.3 Ų40.30%022%0.223CC..EExtended strand (participates in β ladder)trans-93.2121.5176.4-58.4-173.9000109.7L23 K30 V31 L32 V33 H75 Q112 I114L23-L77 HydrophobicContact CD2-CD1 3.51Å; K30-L77 HydrophobicContact CD-CD1 3.79Å; K30-L77 HydrophobicContact CD-CG 4.36Å; V31-L77 PolarHBondContact O-N 3.41Å; L32-L77 HydrophobicContact CD1-CB 3.99Å; V33-L77 PolarHBondContact N-O 2.85Å; H75-L77 VanDerWaalsContact CE1-CD2 3.4Å; H75-L77 WeakPolarHBondContact CE1-CD2 3.39Å; H75-L77 WeakPolarHBondContact NE2-CD2 3.35Å; L77-Q112 HydrophobicContact CD2-CB 3.91Å; L77-Q112 HydrophobicContact CD2-CG 4.35Å; L77-I114 HydrophobicContact CB-CD1 4.32Å; L77-I114 HydrophobicContact CD1-CD1 4.28Å; L77-I114 HydrophobicContact CD2-CD1 4.21Å
78F98.3Very high95.1Very high0 Ų038.9 Ų38.90%021%0.211CC..EExtended strand (participates in β ladder)trans-106.298.1178-63.1-87.6000109.6V33 W62 F65 H76 V80 V90 M93 F94 Q112 L113 I114V33-F78 HydrophobicContact CB-CD1 3.64Å; V33-F78 HydrophobicContact CB-CE1 3.86Å; V33-F78 HydrophobicContact CB-CG 4.45Å; V33-F78 HydrophobicContact CG1-CD1 3.92Å; V33-F78 HydrophobicContact CG1-CE1 4.08Å; V33-F78 HydrophobicContact CG2-CD1 4.06Å; V33-F78 HydrophobicContact CG2-CE1 3.76Å; V33-F78 HydrophobicContact CG2-CZ 4.37Å; V33-F78 CarbonylContact O-C 3.54Å; V33-F78 WeakPolarHBondContact O-CA 3.46Å; W62-F78 HydrophobicContact CE3-CD1 4.14Å; W62-F78 AromaticContact CZ3-CD1 3.68Å; W62-F78 HydrophobicContact CZ3-CD1 3.68Å; W62-F78 AromaticContact CZ3-CE1 3.99Å; W62-F78 HydrophobicContact CZ3-CE1 3.99Å; F65-F78 AromaticContact CD1-CE1 3.85Å; F65-F78 HydrophobicContact CD1-CE1 3.85Å; F65-F78 HydrophobicContact CD1-CZ 4.41Å; F65-F78 AromaticContact CE1-CE1 3.65Å; F65-F78 HydrophobicContact CE1-CE1 3.65Å; F65-F78 AromaticContact CE1-CZ 3.74Å; F65-F78 HydrophobicContact CE1-CZ 3.74Å; F65-F78 HydrophobicContact CZ-CE1 4.4Å; F65-F78 HydrophobicContact CZ-CZ 4.25Å; H76-F78 HydrophobicContact CB-CD2 4.5Å; H76-F78 HydrophobicContact CB-CE2 3.62Å; H76-F78 HydrophobicContact CB-CZ 3.96Å; H76-F78 WeakPolarHBondContact O-CD2 3.48Å; F78-V80 HydrophobicContact CB-CG1 4.47Å; F78-V80 PolarHBondContact O-N 2.9Å; F78-V90 HydrophobicContact CB-CG2 4.33Å; F78-V90 HydrophobicContact CD1-CG2 3.81Å; F78-V90 HydrophobicContact CD2-CG1 3.91Å; F78-V90 HydrophobicContact CD2-CG2 4.35Å; F78-V90 HydrophobicContact CE1-CG2 4.19Å; F78-V90 HydrophobicContact CE2-CG1 4.06Å; F78-V90 HydrophobicContact CG-CG1 4.28Å; F78-V90 HydrophobicContact CG-CG2 3.9Å; F78-M93 HydrophobicContact CE1-SD 4.25Å; F78-M93 HydrophobicContact CZ-SD 4.33Å; F78-F94 HydrophobicContact CE2-CD2 4.43Å; F78-F94 AromaticContact CE2-CE2 3.37Å; F78-F94 HydrophobicContact CE2-CE2 3.37Å; F78-F94 AromaticContact CE2-CZ 3.7Å; F78-F94 HydrophobicContact CE2-CZ 3.7Å; F78-F94 AromaticContact CZ-CE2 3.52Å; F78-F94 HydrophobicContact CZ-CE2 3.52Å; F78-F94 AromaticContact CZ-CZ 3.9Å; F78-F94 HydrophobicContact CZ-CZ 3.9Å; F78-Q112 PolarHBondContact N-O 2.8Å; F78-L113 HydrophobicContact CB-CD2 3.9Å; F78-I114 PolarHBondContact O-N 2.94Å
79L98.3Very high95.3Very high0 Ų040 Ų400%020%0.196CC..EExtended strand (participates in β ladder)trans-86.6108.8176.9-167.570.2000109.9F19 L32 V33 I34 Q35 L38 L42 I114 V116 F141F19-L79 HydrophobicContact CE2-CD1 3.94Å; F19-L79 HydrophobicContact CE2-CD2 4.2Å; F19-L79 HydrophobicContact CZ-CD2 4.32Å; L32-L79 HydrophobicContact CD1-CB 4.08Å; V33-L79 PolarHBondContact O-N 3.4Å; I34-L79 HydrophobicContact CB-CB 4.39Å; I34-L79 HydrophobicContact CD1-CD2 3.67Å; I34-L79 HydrophobicContact CG1-CB 4.19Å; I34-L79 HydrophobicContact CG1-CD2 4.09Å; Q35-L79 PolarHBondContact N-O 3.2Å; Q35-L79 VanDerWaalsContact N-O 3.12Å; L38-L79 HydrophobicContact CD1-CG 4.19Å; L42-L79 HydrophobicContact CD1-CD2 4.42Å; L42-L79 HydrophobicContact CD2-CD2 3.9Å; L79-I114 WeakPolarHBondContact CA-O 3.45Å; L79-I114 HydrophobicContact CD1-CB 3.8Å; L79-I114 HydrophobicContact CD1-CG2 3.54Å; L79-V116 HydrophobicContact CD1-CG2 3.37Å; L79-V116 HydrophobicContact CD2-CG2 4.47Å; L79-V116 HydrophobicContact CG-CG2 3.8Å; L79-F141 HydrophobicContact CD1-CB 4.49Å; L79-F141 HydrophobicContact CD1-CD1 4.38Å
80V97.6Very high95.4Very high0 Ų037.2 Ų37.20%018%0.181CC..EExtended strand (participates in β ladder)trans-140.8155.6-170.1-58.90000112.1Q35 F78 L86 L113 I114 Y115 V116Q35-V80 HydrophobicContact CG-CB 4.44Å; Q35-V80 HydrophobicContact CG-CG1 4.19Å; Q35-V80 VanDerWaalsContact OE1-CA 3.26Å; F78-V80 HydrophobicContact CB-CG1 4.47Å; F78-V80 PolarHBondContact O-N 2.9Å; V80-L86 HydrophobicContact CB-CD1 4Å; V80-L86 HydrophobicContact CG1-CD1 4.13Å; V80-L113 HydrophobicContact CG2-CD2 3.84Å; V80-I114 PolarHBondContact N-O 3.15Å; V80-Y115 HydrophobicContact CG2-CD1 3.99Å; V80-Y115 HydrophobicContact CG2-CE1 4.15Å; V80-Y115 CarbonylContact O-C 3.53Å; V80-Y115 VanDerWaalsContact O-CA 3.28Å; V80-Y115 WeakPolarHBondContact O-CA 3.11Å; V80-V116 PolarHBondContact O-N 3.17Å
81R95.5Very high95.4Very high12 Ų1235.6 Ų35.65%0.04517%0.173CC..  trans-64.3158160.5-68.4-63.6-174-175.1-7.6110.4E37 L38 N83 V116 E156E37-R81 WeakPolarHBondContact OE1-CG 3.47Å; E37-R81 IonicContact OE1-NE 3.57Å; E37-R81 PolarHBondContact OE1-NE 3.39Å; E37-R81 VanDerWaalsContact OE1-NE 3.09Å; L38-R81 HydrophobicContact CD2-CG 4.41Å; R81-N83 VanDerWaalsContact C-N 3.35Å; R81-N83 PolarHBondContact O-N 2.85Å; R81-V116 WeakPolarHBondContact CD-O 3.29Å; R81-E156 VanDerWaalsContact CZ-O 3.25Å; R81-E156 PolarHBondContact NH1-O 3.39Å; R81-E156 PolarHBondContact NH2-O 3.08Å
82P93.7Very high95.3Very high19 Ų1937.6 Ų37.612%0.12318%0.181CC..SBendtrans-63.393168.325.6-33.3000111.4V116 L120 W172P82-V116 WeakPolarHBondContact CD-O 3.19Å; P82-L120 HydrophobicContact CB-CD1 3.88Å; P82-L120 HydrophobicContact CB-CD2 4.22Å; P82-L120 HydrophobicContact CB-CG 3.61Å; P82-W172 HydrophobicContact CG-CH2 3.49Å; P82-W172 VanDerWaalsContact CG-CH2 3.49Å; P82-W172 HydrophobicContact CG-CZ2 4.46Å; P82-W172 HydrophobicContact CG-CZ3 4.11Å
83N92Very high95.4Very high77 Ų7734.8 Ų34.841%0.41217%0.165SC..  trans-135.2122.2178.7-178.5-68.9000110.1R81 G85 L86 T87R81-N83 VanDerWaalsContact C-N 3.35Å; R81-N83 PolarHBondContact O-N 2.85Å; N83-G85 VanDerWaalsContact C-N 3.3Å; N83-G85 PolarHBondContact O-N 3.35Å; N83-G85 WeakPolarHBondContact OD1-CA 3.36Å; N83-G85 PolarHBondContact OD1-N 3.46Å; N83-L86 HydrophobicContact CB-CB 4.21Å; N83-L86 HydrophobicContact CB-CD1 3.87Å; N83-L86 HydrophobicContact CB-CG 3.88Å; N83-L86 PolarHBondContact O-N 2.97Å; N83-L86 PolarHBondContact OD1-N 3.14Å; N83-T87 PolarHBondContact O-N 3.46Å; N83-T87 PolarHBondContact O-OG1 2.91Å
84L93.3Very high95.3Very high76 Ų7625.4 Ų25.440%0.39813%0.131SC..Hα-helixtrans-64.6-33.2-175.8-62.3178.9000113.3T87 H88 V122 V126L84-T87 PolarHBondContact O-N 3.18Å; L84-H88 WeakPolarHBondContact O-CB 3.03Å; L84-H88 PolarHBondContact O-N 3.22Å; L84-V122 HydrophobicContact CD1-CG1 4.26Å; L84-V122 HydrophobicContact CD1-CG2 4.37Å; L84-V122 HydrophobicContact CD2-CB 4.37Å; L84-V122 HydrophobicContact CD2-CG1 3.52Å; L84-V122 HydrophobicContact CD2-CG2 4.21Å; L84-V122 HydrophobicContact CG-CG1 4.38Å; L84-V126 HydrophobicContact CD2-CG2 3.92Å
85G94.7Very high94.9Very high38 Ų3825.5 Ų25.539%0.39213%0.133SC..Hα-helixtrans-66-38.3176.100000112.2N83 R89N83-G85 VanDerWaalsContact C-N 3.3Å; N83-G85 PolarHBondContact O-N 3.35Å; N83-G85 WeakPolarHBondContact OD1-CA 3.36Å; N83-G85 PolarHBondContact OD1-N 3.46Å; G85-R89 WeakPolarHBondContact O-CG 3.43Å; G85-R89 PolarHBondContact O-N 3.37Å
86L95.4Very high94Very high15 Ų1530 Ų308%0.07916%0.162CC..Hα-helixtrans-69.3-47.2174.3-60-177.6000111.5Q35 W62 V80 N83 H88 R89 V90Q35-L86 HydrophobicContact CG-CD1 3.94Å; W62-L86 HydrophobicContact CD2-CD2 4.23Å; W62-L86 HydrophobicContact CZ2-CD2 3.55Å; V80-L86 HydrophobicContact CB-CD1 4Å; V80-L86 HydrophobicContact CG1-CD1 4.13Å; N83-L86 HydrophobicContact CB-CB 4.21Å; N83-L86 HydrophobicContact CB-CD1 3.87Å; N83-L86 HydrophobicContact CB-CG 3.88Å; N83-L86 PolarHBondContact O-N 2.97Å; N83-L86 PolarHBondContact OD1-N 3.14Å; L86-H88 VanDerWaalsContact C-N 3.25Å; L86-H88 PolarHBondContact O-N 3.01Å; L86-R89 PolarHBondContact O-N 2.96Å; L86-R89 VanDerWaalsContact O-N 3.16Å; L86-V90 PolarHBondContact O-N 3.11Å
87T96.8Very high92.9Very high0 Ų034.7 Ų34.70%018%0.18CC..Hα-helixtrans-54.1-46.4174-57.60000110.5N83 L84 V90 A91 L113 Y115 C123 V126 L127N83-T87 PolarHBondContact O-N 3.46Å; N83-T87 PolarHBondContact O-OG1 2.91Å; L84-T87 PolarHBondContact O-N 3.18Å; T87-V90 PolarHBondContact O-N 2.97Å; T87-A91 WeakPolarHBondContact O-CB 3.45Å; T87-A91 PolarHBondContact O-N 3.27Å; T87-L113 HydrophobicContact CG2-CD1 4.18Å; T87-Y115 VanDerWaalsContact CG2-OH 3.3Å; T87-Y115 WeakPolarHBondContact CG2-OH 3.33Å; T87-Y115 WeakPolarHBondContact OG1-CE1 3.07Å; T87-Y115 PolarHBondContact OG1-OH 3.1Å; T87-C123 HydrophobicContact CG2-CB 4.19Å; T87-V126 HydrophobicContact CG2-CB 4.04Å; T87-V126 HydrophobicContact CG2-CG1 3.89Å; T87-L127 HydrophobicContact CG2-CD2 4.07Å; T87-L127 HydrophobicContact CG2-CG 4.01Å
88H95.6Very high91.3Very high45 Ų4542.2 Ų42.221%0.20822%0.22CC..Hα-helixtrans-59.5-47.8176.8169.560000112.5L84 L86 V90 A91 Q92 V126 Y130L84-H88 WeakPolarHBondContact O-CB 3.03Å; L84-H88 PolarHBondContact O-N 3.22Å; L86-H88 VanDerWaalsContact C-N 3.25Å; L86-H88 PolarHBondContact O-N 3.01Å; H88-V90 PolarHBondContact O-N 3.14Å; H88-A91 VanDerWaalsContact O-CB 3.32Å; H88-A91 WeakPolarHBondContact O-CB 3.36Å; H88-A91 PolarHBondContact O-N 3.13Å; H88-Q92 VanDerWaalsContact CE1-CD 3.44Å; H88-Q92 PolarHBondContact CE1-NE2 3.26Å; H88-Q92 PolarHBondContact NE2-NE2 3.04Å; H88-Q92 VanDerWaalsContact NE2-NE2 3.14Å; H88-Q92 WeakPolarHBondContact O-CG 3.33Å; H88-Q92 PolarHBondContact O-N 3.43Å; H88-V126 HydrophobicContact CB-CG1 4.06Å; H88-Y130 AromaticContact CE1-CE1 3.4Å; H88-Y130 VanDerWaalsContact CE1-CE1 3.4Å; H88-Y130 WeakPolarHBondContact CE1-CE1 3.35Å; H88-Y130 AromaticContact CE1-CE2 3.69Å; H88-Y130 AromaticContact CE1-CZ 3.19Å; H88-Y130 PolarHBondContact CE1-OH 3.17Å; H88-Y130 VanDerWaalsContact CE1-OH 3.28Å; H88-Y130 AromaticContact ND1-CD2 3.54Å; H88-Y130 AromaticContact ND1-CE1 3.62Å; H88-Y130 AromaticContact ND1-CE2 3.04Å; H88-Y130 WeakPolarHBondContact ND1-CE2 3.44Å; H88-Y130 AromaticContact ND1-CZ 3.09Å; H88-Y130 PolarHBondContact ND1-OH 3.39Å
89R95.6Very high89.5Confident112 Ų11246.7 Ų46.742%0.42325%0.249SC..Hα-helixtrans-63-41.6179.4-76.7-178.665.5-172.7-3.4112.2W62 G85 L86 Q92 M93W62-R89 HydrophobicContact CH2-CB 3.99Å; W62-R89 HydrophobicContact CZ2-CB 3.93Å; G85-R89 WeakPolarHBondContact O-CG 3.43Å; G85-R89 PolarHBondContact O-N 3.37Å; L86-R89 PolarHBondContact O-N 2.96Å; L86-R89 VanDerWaalsContact O-N 3.16Å; R89-Q92 PolarHBondContact O-N 2.86Å; R89-M93 WeakPolarHBondContact O-CG 3.41Å; R89-M93 PolarHBondContact O-N 3.04Å
90V96Very high87.8Confident0 Ų050.8 Ų50.80%027%0.274CS..Hα-helixtrans-66.6-39.5174.7176.80000110.8W62 F78 L86 T87 H88 Q92 M93 F94 L113 V136W62-V90 HydrophobicContact CH2-CG2 3.64Å; W62-V90 HydrophobicContact CZ3-CG2 3.64Å; F78-V90 HydrophobicContact CB-CG2 4.33Å; F78-V90 HydrophobicContact CD1-CG2 3.81Å; F78-V90 HydrophobicContact CD2-CG1 3.91Å; F78-V90 HydrophobicContact CD2-CG2 4.35Å; F78-V90 HydrophobicContact CE1-CG2 4.19Å; F78-V90 HydrophobicContact CE2-CG1 4.06Å; F78-V90 HydrophobicContact CG-CG1 4.28Å; F78-V90 HydrophobicContact CG-CG2 3.9Å; L86-V90 PolarHBondContact O-N 3.11Å; T87-V90 PolarHBondContact O-N 2.97Å; H88-V90 PolarHBondContact O-N 3.14Å; V90-Q92 VanDerWaalsContact C-N 3.29Å; V90-Q92 PolarHBondContact O-N 2.81Å; V90-M93 WeakPolarHBondContact O-CB 3.35Å; V90-M93 PolarHBondContact O-N 2.99Å; V90-F94 HydrophobicContact CG1-CD2 4.02Å; V90-F94 HydrophobicContact CG1-CE2 4.23Å; V90-F94 WeakPolarHBondContact O-CD2 3.3Å; V90-F94 PolarHBondContact O-N 2.98Å; V90-L113 HydrophobicContact CB-CD1 4.13Å; V90-L113 HydrophobicContact CB-CD2 4.06Å; V90-L113 HydrophobicContact CB-CG 4.25Å; V90-L113 HydrophobicContact CG1-CD1 4.03Å; V90-L113 HydrophobicContact CG1-CD2 4.19Å; V90-L113 HydrophobicContact CG1-CG 3.93Å; V90-L113 HydrophobicContact CG2-CD2 3.85Å; V90-V136 HydrophobicContact CG1-CG1 4.13Å; V90-V136 HydrophobicContact CG1-CG2 4.46Å
91A94.3Very high86.1Confident0 Ų056.2 Ų56.20%032%0.319CS..Hα-helixtrans-54.8-46.317400000111.4T87 H88 M93 F94 A95 L127 Y130 A132T87-A91 WeakPolarHBondContact O-CB 3.45Å; T87-A91 PolarHBondContact O-N 3.27Å; H88-A91 VanDerWaalsContact O-CB 3.32Å; H88-A91 WeakPolarHBondContact O-CB 3.36Å; H88-A91 PolarHBondContact O-N 3.13Å; A91-M93 VanDerWaalsContact C-N 3.28Å; A91-M93 PolarHBondContact O-N 2.67Å; A91-F94 PolarHBondContact O-N 2.82Å; A91-A95 WeakPolarHBondContact O-CA 3.42Å; A91-A95 WeakPolarHBondContact O-CB 3.47Å; A91-A95 PolarHBondContact O-N 2.89Å; A91-L127 HydrophobicContact CB-CD2 3.93Å; A91-Y130 HydrophobicContact CB-CD2 4.5Å; A91-Y130 HydrophobicContact CB-CG 4.45Å; A91-A132 HydrophobicContact CB-CB 3.74Å
92Q92.3Very high84.6Confident99 Ų9965.2 Ų65.246%0.46336%0.358SS..Hα-helixtrans-64.3-29.2177.6-70.5178.1-35.500114H88 R89 V90H88-Q92 VanDerWaalsContact CE1-CD 3.44Å; H88-Q92 PolarHBondContact CE1-NE2 3.26Å; H88-Q92 PolarHBondContact NE2-NE2 3.04Å; H88-Q92 VanDerWaalsContact NE2-NE2 3.14Å; H88-Q92 WeakPolarHBondContact O-CG 3.33Å; H88-Q92 PolarHBondContact O-N 3.43Å; R89-Q92 PolarHBondContact O-N 2.86Å; V90-Q92 VanDerWaalsContact C-N 3.29Å; V90-Q92 PolarHBondContact O-N 2.81Å
93M92.4Very high82.9Confident11 Ų1168.9 Ų68.95%0.05437%0.374CS..Hα-helixtrans-68.7-36.6178.4-70.4176.1-168.100112.1W62 F65 T67 I70 F78 R89 V90 A91W62-M93 HydrophobicContact CH2-CE 3.93Å; W62-M93 HydrophobicContact CZ3-CE 4.31Å; F65-M93 HydrophobicContact CD1-CE 4.39Å; F65-M93 HydrophobicContact CD1-SD 4.21Å; F65-M93 HydrophobicContact CE1-SD 3.99Å; T67-M93 HydrophobicContact CG2-CB 4.38Å; T67-M93 HydrophobicContact CG2-CG 3.78Å; I70-M93 HydrophobicContact CD1-CB 3.91Å; I70-M93 HydrophobicContact CD1-CG 4.39Å; F78-M93 HydrophobicContact CE1-SD 4.25Å; F78-M93 HydrophobicContact CZ-SD 4.33Å; R89-M93 WeakPolarHBondContact O-CG 3.41Å; R89-M93 PolarHBondContact O-N 3.04Å; V90-M93 WeakPolarHBondContact O-CB 3.35Å; V90-M93 PolarHBondContact O-N 2.99Å; A91-M93 VanDerWaalsContact C-N 3.28Å; A91-M93 PolarHBondContact O-N 2.67Å
94F91.4Very high81.1Confident13 Ų1370.6 Ų70.66%0.05739%0.389CS..Hα-helixtrans-114.4-3.7-172-65.8-90.8000114.4I70 H76 F78 V90 A91 V107 A109 V136I70-F94 HydrophobicContact CD1-CE2 4.42Å; I70-F94 HydrophobicContact CD1-CZ 4.26Å; I70-F94 HydrophobicContact CG2-CE1 4.42Å; H76-F94 HydrophobicContact CB-CZ 3.91Å; F78-F94 HydrophobicContact CE2-CD2 4.43Å; F78-F94 AromaticContact CE2-CE2 3.37Å; F78-F94 HydrophobicContact CE2-CE2 3.37Å; F78-F94 AromaticContact CE2-CZ 3.7Å; F78-F94 HydrophobicContact CE2-CZ 3.7Å; F78-F94 AromaticContact CZ-CE2 3.52Å; F78-F94 HydrophobicContact CZ-CE2 3.52Å; F78-F94 AromaticContact CZ-CZ 3.9Å; F78-F94 HydrophobicContact CZ-CZ 3.9Å; V90-F94 HydrophobicContact CG1-CD2 4.02Å; V90-F94 HydrophobicContact CG1-CE2 4.23Å; V90-F94 WeakPolarHBondContact O-CD2 3.3Å; V90-F94 PolarHBondContact O-N 2.98Å; A91-F94 PolarHBondContact O-N 2.82Å; F94-V107 HydrophobicContact CD1-CG1 3.91Å; F94-V107 HydrophobicContact CE1-CG1 4.22Å; F94-A109 HydrophobicContact CE1-CB 3.93Å; F94-V136 HydrophobicContact CB-CG2 3.57Å; F94-V136 HydrophobicContact CD2-CG2 4.26Å; F94-V136 HydrophobicContact CG-CG2 4.1Å
95A86.8Confident79.4Confident17 Ų1773.6 Ų73.614%0.1440%0.403CS..SBendtrans-58.6139.1174.200000110.6A91 R97 Y130A91-A95 WeakPolarHBondContact O-CA 3.42Å; A91-A95 WeakPolarHBondContact O-CB 3.47Å; A91-A95 PolarHBondContact O-N 2.89Å; A95-R97 PolarHBondContact O-N 2.9Å; A95-Y130 WeakPolarHBondContact CB-O 3.41Å
96P78.4Confident78Confident95 Ų9575.7 Ų75.762%0.61741%0.408SS*.PPolyproline II helixtrans-55.8127.7172-2332.9000110.8G131P96-G131 WeakPolarHBondContact CD-O 3.16Å
97R73.5Confident76.8Confident100 Ų10077.5 Ų77.538%0.37742%0.419SS..PPolyproline II helixtrans-97.6144.4178.8-63.4-175.7-174.9175.74.7110.7A95 E103A95-R97 PolarHBondContact O-N 2.9Å; R97-E103 IonicContact CZ-OE2 2.83Å; R97-E103 IonicContact NH1-OE1 2.7Å; R97-E103 PolarHBondContact NH1-OE1 2.83Å; R97-E103 IonicContact NH1-OE2 3.98Å; R97-E103 PolarHBondContact NH1-OE2 2.93Å
98L66Low76.1Confident158 Ų15881.7 Ų81.783%0.82745%0.445SS*.PPolyproline II helixtrans-63.8137.8166.3-80.3155.2000109.1T100L98-T100 PolarHBondContact O-N 2.99Å
99P60Low75.7Confident94 Ų9479.9 Ų79.961%0.6144%0.438SS*.PPolyproline II helixtrans-60129.6-178.320.7-29.5000111
100T62.5Low75.5Confident85 Ų8576.8 Ų76.852%0.52143%0.428SS..BIsolated β-bridgetrans-120.7156.6166.966.30000109L98 K102 E103L98-T100 PolarHBondContact O-N 2.99Å; T100-K102 PolarHBondContact O-N 3.38Å; T100-E103 PolarHBondContact O-N 3.38Å
101A61.3Low75.5Confident115 Ų11576.8 Ų76.895%0.9543%0.428SS*.THydrogen-bonded Turntrans-60.1-8.3-177.200000115
102K63.9Low75.6Confident201 Ų20177 Ų7787%0.87443%0.429SS*.THydrogen-bonded Turntrans-119.2-8.9-173.8-70.4-174177.2-178.90115.1T100T100-K102 PolarHBondContact O-N 3.38Å
103E58.1Low75.9Confident96 Ų9672.3 Ų72.345%0.44941%0.407SS..BIsolated β-bridgetrans-130.2135.5-177.2-67.8-171168.500111.3R97 T100R97-E103 IonicContact CZ-OE2 2.83Å; R97-E103 IonicContact NH1-OE1 2.7Å; R97-E103 PolarHBondContact NH1-OE1 2.83Å; R97-E103 IonicContact NH1-OE2 3.98Å; R97-E103 PolarHBondContact NH1-OE2 2.93Å; T100-E103 PolarHBondContact O-N 3.38Å
104P54.8Low76.2Confident113 Ų11371.8 Ų71.873%0.73440%0.404SS*.  trans-60.8155.9177.323.4-31000112.9T106P104-T106 PolarHBondContact O-N 2.81Å
105M58.5Low76.5Confident139 Ų13971.1 Ų71.169%0.68540%0.402SS*.SBendtrans-61.3-32.4-166.3-150.4173.2-16700115.1
106T63.9Low77Confident81 Ų8170.3 Ų70.350%0.49740%0.395SS..  trans-153.7128.1-172.253.10000110.6P104 T108P104-T106 PolarHBondContact O-N 2.81Å; T106-T108 PolarHBondContact O-N 3.26Å
107V70Confident77.9Confident53 Ų5366.1 Ų66.132%0.32137%0.367SS..  trans-63.5118.9162176.50000106.9I70 F94 A109I70-V107 HydrophobicContact CG2-CG1 4.08Å; F94-V107 HydrophobicContact CD1-CG1 3.91Å; F94-V107 HydrophobicContact CE1-CG1 4.22Å; V107-A109 HydrophobicContact CG1-CB 3.62Å
108T82.6Confident78.9Confident88 Ų8864 Ų6454%0.5436%0.359SS..  trans-97.2-10.2177.160.40000111.9D72 T106 K110D72-T108 VanDerWaalsContact CB-OG1 3.29Å; D72-T108 WeakPolarHBondContact CB-OG1 3.42Å; D72-T108 PolarHBondContact OD1-N 3.45Å; D72-T108 PolarHBondContact OD1-OG1 3.5Å; T106-T108 PolarHBondContact O-N 3.26Å; T108-K110 PolarHBondContact O-N 3.47Å
109A88.2Confident80.3Confident8 Ų858.4 Ų58.47%0.06633%0.328CS..SBendtrans-52.1135.8168.100000110.7I70 D72 F94 V107I70-A109 HydrophobicContact CG2-CB 3.57Å; D72-A109 PolarHBondContact OD1-N 3.18Å; F94-A109 HydrophobicContact CE1-CB 3.93Å; V107-A109 HydrophobicContact CG1-CB 3.62Å
110K91.8Very high81.8Confident47 Ų4755.6 Ų55.620%0.20431%0.308CS..EExtended strand (participates in β ladder)trans-84.5125.5174.1-173.8178.8171-176.50108.8D26 H75 H76 T108 Q137D26-K110 VanDerWaalsContact OD2-CD 3.25Å; D26-K110 WeakPolarHBondContact OD2-CD 3.3Å; D26-K110 WeakPolarHBondContact OD2-CE 3.39Å; D26-K110 IonicContact OD2-NZ 3.9Å; D26-K110 PolarHBondContact OD2-NZ 3.12Å; H75-K110 PolarHBondContact CD2-O 3.18Å; H75-K110 WeakPolarHBondContact NE2-CE 3.44Å; H76-K110 PolarHBondContact N-O 3.49Å; T108-K110 PolarHBondContact O-N 3.47Å; K110-Q137 VanDerWaalsContact NZ-OE1 3.11Å
111G95.4Very high83.1Confident0 Ų055.6 Ų55.60%032%0.317CS..EExtended strand (participates in β ladder)trans-108.7135.7172.600000111.1V136 Q137G111-V136 WeakPolarHBondContact O-CA 3.42Å; G111-Q137 PolarHBondContact O-N 3.44Å
112Q97.1Very high84.6Confident4 Ų453.3 Ų53.32%0.01929%0.291CS..EExtended strand (participates in β ladder)trans-135.5125.2175.6-177.3-176.7-3.500110.5H75 H76 L77 F78 I114 Q137 D139H75-Q112 PolarHBondContact CE1-OE1 3.38Å; H75-Q112 WeakPolarHBondContact NE2-CB 3.36Å; H75-Q112 PolarHBondContact NE2-OE1 2.96Å; H75-Q112 VanDerWaalsContact NE2-OE1 3.15Å; H76-Q112 PolarHBondContact O-N 3.19Å; L77-Q112 HydrophobicContact CD2-CB 3.91Å; L77-Q112 HydrophobicContact CD2-CG 4.35Å; F78-Q112 PolarHBondContact N-O 2.8Å; Q112-I114 HydrophobicContact CG-CG1 4.16Å; Q112-Q137 CarbonylContact C-O 3.15Å; Q112-Q137 VanDerWaalsContact CA-O 3.29Å; Q112-Q137 WeakPolarHBondContact CA-O 3.14Å; Q112-Q137 HydrophobicContact CB-CB 4.19Å; Q112-Q137 HydrophobicContact CG-CB 3.94Å; Q112-D139 PolarHBondContact NE2-OD2 3.06Å
113L97.9Very high86.1Confident0 Ų043.7 Ų43.70%025%0.249CC..EExtended strand (participates in β ladder)trans-88.5119.1170.7-80.1158.1000109.5F78 V80 T87 V90 Y115 L127 V136 Q137 T138 D139F78-L113 HydrophobicContact CB-CD2 3.9Å; V80-L113 HydrophobicContact CG2-CD2 3.84Å; T87-L113 HydrophobicContact CG2-CD1 4.18Å; V90-L113 HydrophobicContact CB-CD1 4.13Å; V90-L113 HydrophobicContact CB-CD2 4.06Å; V90-L113 HydrophobicContact CB-CG 4.25Å; V90-L113 HydrophobicContact CG1-CD1 4.03Å; V90-L113 HydrophobicContact CG1-CD2 4.19Å; V90-L113 HydrophobicContact CG1-CG 3.93Å; V90-L113 HydrophobicContact CG2-CD2 3.85Å; L113-Y115 HydrophobicContact CB-CD2 4.45Å; L113-Y115 HydrophobicContact CB-CE2 3.81Å; L113-Y115 WeakPolarHBondContact CD1-OH 3.35Å; L113-L127 HydrophobicContact CD1-CD2 4.16Å; L113-V136 HydrophobicContact CB-CG1 4.46Å; L113-V136 HydrophobicContact CD1-CG1 3.77Å; L113-V136 HydrophobicContact CG-CG1 4.02Å; L113-Q137 PolarHBondContact N-O 2.82Å; L113-T138 HydrophobicContact CB-CG2 4.46Å; L113-T138 CarbonylContact O-C 3.56Å; L113-T138 VanDerWaalsContact O-CA 3.28Å; L113-T138 WeakPolarHBondContact O-CA 3.37Å; L113-D139 PolarHBondContact O-N 3.13Å
114I98.3Very high87.8Confident0 Ų040.8 Ų40.80%024%0.236CC..EExtended strand (participates in β ladder)trans-108.3106.7173.7-55.7176.1000107.4L22 L77 F78 L79 V80 Q112 D139 F141L22-I114 HydrophobicContact CD1-CG2 4.03Å; L77-I114 HydrophobicContact CB-CD1 4.32Å; L77-I114 HydrophobicContact CD1-CD1 4.28Å; L77-I114 HydrophobicContact CD2-CD1 4.21Å; F78-I114 PolarHBondContact O-N 2.94Å; L79-I114 WeakPolarHBondContact CA-O 3.45Å; L79-I114 HydrophobicContact CD1-CB 3.8Å; L79-I114 HydrophobicContact CD1-CG2 3.54Å; V80-I114 PolarHBondContact N-O 3.15Å; Q112-I114 HydrophobicContact CG-CG1 4.16Å; I114-D139 WeakPolarHBondContact CA-O 3.42Å; I114-F141 HydrophobicContact CG2-CB 3.62Å
115Y98.1Very high89.7Confident0 Ų037.8 Ų37.80%022%0.216CC..EExtended strand (participates in β ladder)trans-85.4134.4-176.8-63.9-82.3000111.9V80 T87 L113 P117 R118 K119 C123 T138 D139 E140 F141V80-Y115 HydrophobicContact CG2-CD1 3.99Å; V80-Y115 HydrophobicContact CG2-CE1 4.15Å; V80-Y115 CarbonylContact O-C 3.53Å; V80-Y115 VanDerWaalsContact O-CA 3.28Å; V80-Y115 WeakPolarHBondContact O-CA 3.11Å; T87-Y115 VanDerWaalsContact CG2-OH 3.3Å; T87-Y115 WeakPolarHBondContact CG2-OH 3.33Å; T87-Y115 WeakPolarHBondContact OG1-CE1 3.07Å; T87-Y115 PolarHBondContact OG1-OH 3.1Å; L113-Y115 HydrophobicContact CB-CD2 4.45Å; L113-Y115 HydrophobicContact CB-CE2 3.81Å; L113-Y115 WeakPolarHBondContact CD1-OH 3.35Å; Y115-P117 CarbonylContact O-C 3.53Å; Y115-R118 VanDerWaalsContact CB-O 3.32Å; Y115-R118 WeakPolarHBondContact CB-O 3.47Å; Y115-K119 HydrophobicContact CD2-CB 3.68Å; Y115-K119 HydrophobicContact CD2-CD 3.93Å; Y115-K119 HydrophobicContact CD2-CG 3.64Å; Y115-K119 HydrophobicContact CE2-CB 4.27Å; Y115-K119 HydrophobicContact CE2-CD 3.74Å; Y115-K119 HydrophobicContact CE2-CG 3.68Å; Y115-K119 HydrophobicContact CG-CB 4.07Å; Y115-K119 HydrophobicContact CG-CG 4.28Å; Y115-C123 WeakPolarHBondContact OH-CB 3.5Å; Y115-T138 HydrophobicContact CE2-CG2 4.05Å; Y115-D139 PolarHBondContact N-O 3.22Å; Y115-E140 CarbonylContact O-C 3.54Å; Y115-E140 WeakPolarHBondContact O-CA 3.47Å; Y115-F141 PolarHBondContact O-N 3.33Å
116V97.8Very high91.5Very high0 Ų032 Ų320%019%0.189CC..SBendtrans-117.2124.3-179.4-175.70000111.3L38 L79 V80 R81 P82 F141 W143L38-V116 HydrophobicContact CD1-CB 4.28Å; L38-V116 HydrophobicContact CD1-CG2 4.15Å; L38-V116 HydrophobicContact CD2-CB 4.25Å; L38-V116 HydrophobicContact CD2-CG1 4.18Å; L79-V116 HydrophobicContact CD1-CG2 3.37Å; L79-V116 HydrophobicContact CD2-CG2 4.47Å; L79-V116 HydrophobicContact CG-CG2 3.8Å; V80-V116 PolarHBondContact O-N 3.17Å; R81-V116 WeakPolarHBondContact CD-O 3.29Å; P82-V116 WeakPolarHBondContact CD-O 3.19Å; V116-F141 HydrophobicContact CG2-CB 4.29Å; V116-F141 HydrophobicContact CG2-CD1 4.31Å; V116-W143 HydrophobicContact CG1-CD2 3.82Å; V116-W143 HydrophobicContact CG1-CE3 3.73Å; V116-W143 HydrophobicContact CG1-CH2 3.44Å; V116-W143 VanDerWaalsContact CG1-CH2 3.44Å; V116-W143 HydrophobicContact CG1-CZ2 3.47Å; V116-W143 VanDerWaalsContact CG1-CZ2 3.47Å; V116-W143 HydrophobicContact CG1-CZ3 3.56Å; V116-W143 HydrophobicContact CG2-CZ3 4.43Å
117P96.4Very high93Very high6 Ų628.1 Ų28.14%0.03917%0.165CC..SBendcis-82.8-10.6-932.3-32.3000113.1Y115 N142 W172 T175Y115-P117 CarbonylContact O-C 3.53Å; P117-N142 HydrophobicContact CB-CB 4.25Å; P117-N142 WeakPolarHBondContact O-CA 3.33Å; P117-N142 WeakPolarHBondContact O-CB 3.32Å; P117-N142 PolarHBondContact O-N 2.87Å; P117-W172 HydrophobicContact CG-CZ3 4.34Å; P117-T175 HydrophobicContact CB-CG2 4.25Å; P117-T175 HydrophobicContact CG-CG2 3.46Å; P117-T175 VanDerWaalsContact CG-CG2 3.46Å
118R95.1Very high94.2Very high55 Ų5530.6 Ų30.621%0.20817%0.173CC..  trans-145.4157.6-171.969.4176.9-63.4166.411.4112.1Y115 W172 Q174 T175Y115-R118 VanDerWaalsContact CB-O 3.32Å; Y115-R118 WeakPolarHBondContact CB-O 3.47Å; R118-W172 HydrophobicContact CG-CZ3 4.25Å; R118-Q174 VanDerWaalsContact NH2-OE1 3.09Å; R118-T175 WeakPolarHBondContact CD-OG1 3.39Å
119K94.4Very high94.7Very high41 Ų4135.9 Ų35.918%0.17818%0.183CC..  trans-86.6146.4169-174.5173.473.4160.20109.6Y115 C123 D124 T138 E140Y115-K119 HydrophobicContact CD2-CB 3.68Å; Y115-K119 HydrophobicContact CD2-CD 3.93Å; Y115-K119 HydrophobicContact CD2-CG 3.64Å; Y115-K119 HydrophobicContact CE2-CB 4.27Å; Y115-K119 HydrophobicContact CE2-CD 3.74Å; Y115-K119 HydrophobicContact CE2-CG 3.68Å; Y115-K119 HydrophobicContact CG-CB 4.07Å; Y115-K119 HydrophobicContact CG-CG 4.28Å; K119-C123 HydrophobicContact CG-CB 4.11Å; K119-D124 IonicContact NZ-OD1 3.45Å; K119-D124 PolarHBondContact NZ-OD1 3.24Å; K119-D124 IonicContact NZ-OD2 3.79Å; K119-D124 PolarHBondContact NZ-OD2 3.22Å; K119-T138 HydrophobicContact CD-CG2 4.3Å; K119-T138 PolarHBondContact NZ-OG1 3.43Å; K119-E140 WeakPolarHBondContact CA-OE1 3.31Å; K119-E140 HydrophobicContact CB-CG 3.85Å; K119-E140 VanDerWaalsContact CB-OE1 3.3Å; K119-E140 WeakPolarHBondContact CB-OE1 3.2Å; K119-E140 PolarHBondContact N-OE1 2.69Å
120L92.3Very high94.7Very high35 Ų3540.7 Ų40.718%0.18320%0.2CC..  trans-93.9141.8167-55178.5000109.1P82 V122 C123 L171P82-L120 HydrophobicContact CB-CD1 3.88Å; P82-L120 HydrophobicContact CB-CD2 4.22Å; P82-L120 HydrophobicContact CB-CG 3.61Å; L120-V122 HydrophobicContact CB-CG1 3.9Å; L120-V122 PolarHBondContact O-N 3.47Å; L120-V122 VanDerWaalsContact O-N 3.14Å; L120-C123 VanDerWaalsContact O-CB 3.23Å; L120-C123 WeakPolarHBondContact O-CB 3.46Å; L120-C123 PolarHBondContact O-N 2.86Å; L120-L171 HydrophobicContact CD2-CD1 3.62Å
121A89.9Confident94.7Very high86 Ų8640.6 Ų40.671%0.71121%0.213SC*.THydrogen-bonded Turntrans-56-35179.700000112.7C123 D124A121-C123 PolarHBondContact O-N 3.42Å; A121-D124 PolarHBondContact O-N 3.31Å
122V92.8Very high94.5Very high66 Ų6640.6 Ų40.640%0.421%0.213SC..Hα-helixtrans-65.3-18.9178.661.50000113.7L84 L120 D124 T125 V126L84-V122 HydrophobicContact CD1-CG1 4.26Å; L84-V122 HydrophobicContact CD1-CG2 4.37Å; L84-V122 HydrophobicContact CD2-CB 4.37Å; L84-V122 HydrophobicContact CD2-CG1 3.52Å; L84-V122 HydrophobicContact CD2-CG2 4.21Å; L84-V122 HydrophobicContact CG-CG1 4.38Å; L120-V122 HydrophobicContact CB-CG1 3.9Å; L120-V122 PolarHBondContact O-N 3.47Å; L120-V122 VanDerWaalsContact O-N 3.14Å; V122-D124 VanDerWaalsContact C-N 3.27Å; V122-D124 PolarHBondContact O-N 3.36Å; V122-T125 WeakPolarHBondContact O-CB 3.31Å; V122-T125 PolarHBondContact O-N 2.75Å; V122-V126 PolarHBondContact O-N 3.39Å; V122-V126 VanDerWaalsContact O-N 3.09Å
123C94.4Very high94.2Very high0 Ų046.7 Ų46.70%024%0.236CC..Hα-helixtrans-62.6-35.3176.1-69.10000112T87 Y115 K119 L120 A121 V126 L127T87-C123 HydrophobicContact CG2-CB 4.19Å; Y115-C123 WeakPolarHBondContact OH-CB 3.5Å; K119-C123 HydrophobicContact CG-CB 4.11Å; L120-C123 VanDerWaalsContact O-CB 3.23Å; L120-C123 WeakPolarHBondContact O-CB 3.46Å; L120-C123 PolarHBondContact O-N 2.86Å; A121-C123 PolarHBondContact O-N 3.42Å; C123-V126 WeakPolarHBondContact O-CB 3.3Å; C123-V126 PolarHBondContact O-N 3.17Å; C123-L127 WeakPolarHBondContact O-CG 3.44Å; C123-L127 PolarHBondContact O-N 3.45Å
124D94.7Very high93.7Very high34 Ų3449.8 Ų49.818%0.18227%0.269CS..Hα-helixtrans-66.2-43177.3-67.7-22.1000110.3K119 A121 V122 V126 L127 E128 Y133K119-D124 IonicContact NZ-OD1 3.45Å; K119-D124 PolarHBondContact NZ-OD1 3.24Å; K119-D124 IonicContact NZ-OD2 3.79Å; K119-D124 PolarHBondContact NZ-OD2 3.22Å; A121-D124 PolarHBondContact O-N 3.31Å; V122-D124 VanDerWaalsContact C-N 3.27Å; V122-D124 PolarHBondContact O-N 3.36Å; D124-V126 VanDerWaalsContact C-N 3.27Å; D124-V126 PolarHBondContact O-N 3.46Å; D124-L127 PolarHBondContact O-N 3.05Å; D124-L127 VanDerWaalsContact O-N 3.11Å; D124-E128 WeakPolarHBondContact O-CG 3.24Å; D124-E128 PolarHBondContact O-N 3.17Å; D124-Y133 HydrophobicContact CB-CD2 4.41Å; D124-Y133 HydrophobicContact CB-CE2 3.89Å
125T95.1Very high93.2Very high51 Ų5152 Ų5231%0.31329%0.287SS..Hα-helixtrans-59.3-36.3173.8-51.60000112.5V122 R129V122-T125 WeakPolarHBondContact O-CB 3.31Å; V122-T125 PolarHBondContact O-N 2.75Å; T125-R129 WeakPolarHBondContact O-CB 3.36Å; T125-R129 WeakPolarHBondContact O-CG 3.29Å; T125-R129 PolarHBondContact O-N 3.28Å
126V95.2Very high93.1Very high17 Ų1752.2 Ų52.210%0.10329%0.288CS..Hα-helixtrans-65-49.5174.1174.30000110.1L84 T87 H88 V122 C123 D124 E128 R129 Y130L84-V126 HydrophobicContact CD2-CG2 3.92Å; T87-V126 HydrophobicContact CG2-CB 4.04Å; T87-V126 HydrophobicContact CG2-CG1 3.89Å; H88-V126 HydrophobicContact CB-CG1 4.06Å; V122-V126 PolarHBondContact O-N 3.39Å; V122-V126 VanDerWaalsContact O-N 3.09Å; C123-V126 WeakPolarHBondContact O-CB 3.3Å; C123-V126 PolarHBondContact O-N 3.17Å; D124-V126 VanDerWaalsContact C-N 3.27Å; D124-V126 PolarHBondContact O-N 3.46Å; V126-E128 VanDerWaalsContact C-N 3.31Å; V126-E128 PolarHBondContact O-N 3.11Å; V126-R129 PolarHBondContact O-N 2.89Å; V126-Y130 HydrophobicContact CG1-CD2 3.99Å; V126-Y130 HydrophobicContact CG1-CE2 4.12Å; V126-Y130 WeakPolarHBondContact O-CD2 3.31Å; V126-Y130 PolarHBondContact O-N 2.93Å
127L95.6Very high92.9Very high0 Ų056.4 Ų56.40%031%0.308CS..Hα-helixtrans-59.6-41.4178.8-67.9173.4000112.2T87 A91 L113 C123 D124 Y130 G131 A132 Y133 V136 T138T87-L127 HydrophobicContact CG2-CD2 4.07Å; T87-L127 HydrophobicContact CG2-CG 4.01Å; A91-L127 HydrophobicContact CB-CD2 3.93Å; L113-L127 HydrophobicContact CD1-CD2 4.16Å; C123-L127 WeakPolarHBondContact O-CG 3.44Å; C123-L127 PolarHBondContact O-N 3.45Å; D124-L127 PolarHBondContact O-N 3.05Å; D124-L127 VanDerWaalsContact O-N 3.11Å; L127-Y130 PolarHBondContact O-N 3.33Å; L127-G131 PolarHBondContact O-N 3.13Å; L127-A132 HydrophobicContact CD2-CB 4.15Å; L127-A132 PolarHBondContact O-N 2.88Å; L127-Y133 HydrophobicContact CB-CD2 4.12Å; L127-Y133 PolarHBondContact O-N 3.11Å; L127-V136 HydrophobicContact CD2-CB 4.16Å; L127-V136 HydrophobicContact CD2-CG1 4.36Å; L127-T138 HydrophobicContact CD1-CG2 3.44Å; L127-T138 VanDerWaalsContact CD1-CG2 3.44Å
128E94.8Very high92.9Very high105 Ų10557.8 Ų57.849%0.49132%0.316SS..Hα-helixtrans-62.1-49.2177.4-73.5174.1170.400111.6D124 V126 Y130 G131 Y133D124-E128 WeakPolarHBondContact O-CG 3.24Å; D124-E128 PolarHBondContact O-N 3.17Å; V126-E128 VanDerWaalsContact C-N 3.31Å; V126-E128 PolarHBondContact O-N 3.11Å; E128-Y130 PolarHBondContact O-N 3.44Å; E128-G131 PolarHBondContact O-N 2.81Å; E128-Y133 HydrophobicContact CG-CD1 4.1Å; E128-Y133 HydrophobicContact CG-CD2 3.68Å; E128-Y133 HydrophobicContact CG-CE2 4.34Å; E128-Y133 HydrophobicContact CG-CG 3.54Å
129R92.9Very high93Very high199 Ų19958.3 Ų58.375%0.75132%0.323SS*.Hα-helixtrans-58.6-31.2-179.6-77.7175-177.2-1723.8113.2T125 V126T125-R129 WeakPolarHBondContact O-CB 3.36Å; T125-R129 WeakPolarHBondContact O-CG 3.29Å; T125-R129 PolarHBondContact O-N 3.28Å; V126-R129 PolarHBondContact O-N 2.89Å
130Y89.5Confident93.1Very high108 Ų10860.9 Ų60.942%0.42434%0.336SS..THydrogen-bonded Turntrans-97.59179.2-69.1-72.7000113.6H88 A91 A95 V126 L127 E128 A132H88-Y130 AromaticContact CE1-CE1 3.4Å; H88-Y130 VanDerWaalsContact CE1-CE1 3.4Å; H88-Y130 WeakPolarHBondContact CE1-CE1 3.35Å; H88-Y130 AromaticContact CE1-CE2 3.69Å; H88-Y130 AromaticContact CE1-CZ 3.19Å; H88-Y130 PolarHBondContact CE1-OH 3.17Å; H88-Y130 VanDerWaalsContact CE1-OH 3.28Å; H88-Y130 AromaticContact ND1-CD2 3.54Å; H88-Y130 AromaticContact ND1-CE1 3.62Å; H88-Y130 AromaticContact ND1-CE2 3.04Å; H88-Y130 WeakPolarHBondContact ND1-CE2 3.44Å; H88-Y130 AromaticContact ND1-CZ 3.09Å; H88-Y130 PolarHBondContact ND1-OH 3.39Å; A91-Y130 HydrophobicContact CB-CD2 4.5Å; A91-Y130 HydrophobicContact CB-CG 4.45Å; A95-Y130 WeakPolarHBondContact CB-O 3.41Å; V126-Y130 HydrophobicContact CG1-CD2 3.99Å; V126-Y130 HydrophobicContact CG1-CE2 4.12Å; V126-Y130 WeakPolarHBondContact O-CD2 3.31Å; V126-Y130 PolarHBondContact O-N 2.93Å; L127-Y130 PolarHBondContact O-N 3.33Å; E128-Y130 PolarHBondContact O-N 3.44Å; Y130-A132 PolarHBondContact O-N 3.05Å
131G90.2Very high93.4Very high45 Ų4559.3 Ų59.346%0.46433%0.327SS..THydrogen-bonded Turntrans65.617.8179.200000114P96 L127 E128P96-G131 WeakPolarHBondContact CD-O 3.16Å; L127-G131 PolarHBondContact O-N 3.13Å; E128-G131 PolarHBondContact O-N 2.81Å
132A92.1Very high93.7Very high0 Ų056.6 Ų56.60%030%0.301CS..  trans-98.8-5.7179.400000112.5A91 L127 Y130 G134 A135 V136A91-A132 HydrophobicContact CB-CB 3.74Å; L127-A132 HydrophobicContact CD2-CB 4.15Å; L127-A132 PolarHBondContact O-N 2.88Å; Y130-A132 PolarHBondContact O-N 3.05Å; A132-G134 PolarHBondContact O-N 2.69Å; A132-A135 PolarHBondContact O-N 2.86Å; A132-A135 VanDerWaalsContact O-N 3.12Å; A132-V136 HydrophobicContact CB-CG2 4.15Å; A132-V136 PolarHBondContact O-N 2.89Å
133Y90.7Very high93.9Very high132 Ų13253.7 Ų53.752%0.51828%0.283SS..BIsolated β-bridgetrans-62.7130175.4-167.2-98.9000110.7D124 L127 E128 A135D124-Y133 HydrophobicContact CB-CD2 4.41Å; D124-Y133 HydrophobicContact CB-CE2 3.89Å; L127-Y133 HydrophobicContact CB-CD2 4.12Å; L127-Y133 PolarHBondContact O-N 3.11Å; E128-Y133 HydrophobicContact CG-CD1 4.1Å; E128-Y133 HydrophobicContact CG-CD2 3.68Å; E128-Y133 HydrophobicContact CG-CE2 4.34Å; E128-Y133 HydrophobicContact CG-CG 3.54Å; Y133-A135 PolarHBondContact O-N 3.33Å
134G88.3Confident94Very high66 Ų6654.1 Ų54.168%0.6829%0.286SS*.THydrogen-bonded Turntrans80.7-30.5-17200000114.4A132A132-G134 PolarHBondContact O-N 2.69Å
135A87.5Confident94.1Very high46 Ų4652.6 Ų52.638%0.3828%0.277SS..THydrogen-bonded Turntrans-75.2-39.7171.900000111.8A132 Y133A132-A135 PolarHBondContact O-N 2.86Å; A132-A135 VanDerWaalsContact O-N 3.12Å; Y133-A135 PolarHBondContact O-N 3.33Å
136V94.7Very high94.3Very high4 Ų450.2 Ų50.22%0.02426%0.263CS..EExtended strand (participates in β ladder)trans-101.7117.9172.7-179.70000108.9V90 F94 G111 L113 L127 A132V90-V136 HydrophobicContact CG1-CG1 4.13Å; V90-V136 HydrophobicContact CG1-CG2 4.46Å; F94-V136 HydrophobicContact CB-CG2 3.57Å; F94-V136 HydrophobicContact CD2-CG2 4.26Å; F94-V136 HydrophobicContact CG-CG2 4.1Å; G111-V136 WeakPolarHBondContact O-CA 3.42Å; L113-V136 HydrophobicContact CB-CG1 4.46Å; L113-V136 HydrophobicContact CD1-CG1 3.77Å; L113-V136 HydrophobicContact CG-CG1 4.02Å; L127-V136 HydrophobicContact CD2-CB 4.16Å; L127-V136 HydrophobicContact CD2-CG1 4.36Å; A132-V136 HydrophobicContact CB-CG2 4.15Å; A132-V136 PolarHBondContact O-N 2.89Å
137Q94.6Very high94.4Very high89 Ų8949.8 Ų49.842%0.41626%0.261SS..EExtended strand (participates in β ladder)trans-74.7152.5173.7-68.6-172-25.900110.5K110 G111 Q112 L113K110-Q137 VanDerWaalsContact NZ-OE1 3.11Å; G111-Q137 PolarHBondContact O-N 3.44Å; Q112-Q137 CarbonylContact C-O 3.15Å; Q112-Q137 VanDerWaalsContact CA-O 3.29Å; Q112-Q137 WeakPolarHBondContact CA-O 3.14Å; Q112-Q137 HydrophobicContact CB-CB 4.19Å; Q112-Q137 HydrophobicContact CG-CB 3.94Å; L113-Q137 PolarHBondContact N-O 2.82Å
138T96.6Very high94.5Very high35 Ų3550.4 Ų50.422%0.21526%0.264CS..EExtended strand (participates in β ladder)trans-128.6135.1176.467.90000110.7L113 Y115 K119 L127L113-T138 HydrophobicContact CB-CG2 4.46Å; L113-T138 CarbonylContact O-C 3.56Å; L113-T138 VanDerWaalsContact O-CA 3.28Å; L113-T138 WeakPolarHBondContact O-CA 3.37Å; Y115-T138 HydrophobicContact CE2-CG2 4.05Å; K119-T138 HydrophobicContact CD-CG2 4.3Å; K119-T138 PolarHBondContact NZ-OG1 3.43Å; L127-T138 HydrophobicContact CD1-CG2 3.44Å; L127-T138 VanDerWaalsContact CD1-CG2 3.44Å
139D96.7Very high94.6Very high66 Ų6645.8 Ų45.835%0.35324%0.242SC..EExtended strand (participates in β ladder)trans-136.9170.7172.3-85.6-65000111L22 Q112 L113 I114 Y115L22-D139 HydrophobicContact CD2-CB 3.99Å; Q112-D139 PolarHBondContact NE2-OD2 3.06Å; L113-D139 PolarHBondContact O-N 3.13Å; I114-D139 WeakPolarHBondContact CA-O 3.42Å; Y115-D139 PolarHBondContact N-O 3.22Å
140E97.2Very high94.7Very high95 Ų9539.1 Ų39.144%0.44423%0.227SC..EExtended strand (participates in β ladder)trans-118.9138175.7-59.4-175.1150.500109.8Y115 K119Y115-E140 CarbonylContact O-C 3.54Å; Y115-E140 WeakPolarHBondContact O-CA 3.47Å; K119-E140 WeakPolarHBondContact CA-OE1 3.31Å; K119-E140 HydrophobicContact CB-CG 3.85Å; K119-E140 VanDerWaalsContact CB-OE1 3.3Å; K119-E140 WeakPolarHBondContact CB-OE1 3.2Å; K119-E140 PolarHBondContact N-OE1 2.69Å
141F97.8Very high95.1Very high2 Ų235.2 Ų35.21%0.00921%0.213CC..  trans-118.183.7170.4179.9-132.5000110.4A15 K18 F19 L22 L42 I45 L79 I114 Y115 V116 W143A15-F141 VanDerWaalsContact O-CE2 3.28Å; A15-F141 WeakPolarHBondContact O-CE2 3Å; A15-F141 WeakPolarHBondContact O-CZ 3.05Å; K18-F141 HydrophobicContact CB-CD2 4.43Å; K18-F141 HydrophobicContact CB-CE2 4.02Å; F19-F141 HydrophobicContact CB-CD2 4.35Å; F19-F141 HydrophobicContact CB-CE1 4.21Å; F19-F141 HydrophobicContact CB-CE2 3.68Å; F19-F141 HydrophobicContact CB-CZ 3.6Å; F19-F141 AromaticContact CD2-CD1 3.46Å; F19-F141 HydrophobicContact CD2-CD1 3.46Å; F19-F141 VanDerWaalsContact CD2-CD1 3.46Å; F19-F141 AromaticContact CD2-CD2 3.88Å; F19-F141 HydrophobicContact CD2-CD2 3.88Å; F19-F141 AromaticContact CD2-CE1 3.41Å; F19-F141 HydrophobicContact CD2-CE1 3.41Å; F19-F141 VanDerWaalsContact CD2-CE1 3.41Å; F19-F141 AromaticContact CD2-CE2 3.89Å; F19-F141 HydrophobicContact CD2-CE2 3.89Å; F19-F141 AromaticContact CD2-CG 3.7Å; F19-F141 HydrophobicContact CD2-CG 3.7Å; F19-F141 AromaticContact CD2-CZ 3.67Å; F19-F141 HydrophobicContact CD2-CZ 3.67Å; F19-F141 AromaticContact CE2-CD1 3.86Å; F19-F141 HydrophobicContact CE2-CD1 3.86Å; F19-F141 HydrophobicContact CE2-CE1 4.07Å; F19-F141 HydrophobicContact CE2-CG 4.27Å; F19-F141 HydrophobicContact CG-CE1 4.08Å; F19-F141 HydrophobicContact CG-CE2 4.27Å; F19-F141 AromaticContact CG-CZ 3.99Å; F19-F141 HydrophobicContact CG-CZ 3.99Å; L22-F141 HydrophobicContact CD1-CB 3.86Å; L22-F141 HydrophobicContact CD1-CD2 4.03Å; L22-F141 HydrophobicContact CD1-CG 4.18Å; L42-F141 HydrophobicContact CD1-CE1 4.12Å; I45-F141 HydrophobicContact CD1-CE1 4.11Å; I45-F141 HydrophobicContact CD1-CZ 4.04Å; L79-F141 HydrophobicContact CD1-CB 4.49Å; L79-F141 HydrophobicContact CD1-CD1 4.38Å; I114-F141 HydrophobicContact CG2-CB 3.62Å; Y115-F141 PolarHBondContact O-N 3.33Å; V116-F141 HydrophobicContact CG2-CB 4.29Å; V116-F141 HydrophobicContact CG2-CD1 4.31Å; F141-W143 AromaticContact CD1-CE3 3.85Å; F141-W143 HydrophobicContact CD1-CE3 3.85Å; F141-W143 HydrophobicContact CE1-CB 4.19Å; F141-W143 HydrophobicContact CE1-CD2 4.46Å; F141-W143 AromaticContact CE1-CE3 3.58Å; F141-W143 HydrophobicContact CE1-CE3 3.58Å; F141-W143 HydrophobicContact CE1-CZ3 4.4Å; F141-W143 HydrophobicContact CE2-CB 4.45Å; F141-W143 HydrophobicContact CZ-CB 4Å; F141-W143 HydrophobicContact CZ-CE3 4.47Å; F141-W143 PolarHBondContact O-N 3.19Å
142N96.4Very high95.4Very high28 Ų2833.5 Ų33.515%0.1519%0.193CC..  trans-82.692173.4-170.7-6.7000110.7P117 S144P117-N142 HydrophobicContact CB-CB 4.25Å; P117-N142 WeakPolarHBondContact O-CA 3.33Å; P117-N142 WeakPolarHBondContact O-CB 3.32Å; P117-N142 PolarHBondContact O-N 2.87Å; N142-S144 PolarHBondContact O-N 2.91Å; N142-S144 PolarHBondContact OD1-N 2.95Å
143W96.5Very high95.7Very high5 Ų533.6 Ų33.62%0.01919%0.193CC..  trans-72.2-8.2175.155.545000114.2A15 L38 P41 I45 V116 F141 F145 I146 L155 E156A15-W143 HydrophobicContact CB-CB 3.95Å; L38-W143 HydrophobicContact CD2-CH2 3.58Å; L38-W143 HydrophobicContact CD2-CZ2 4.27Å; L38-W143 HydrophobicContact CD2-CZ3 4.42Å; P41-W143 HydrophobicContact CB-CH2 3.43Å; P41-W143 VanDerWaalsContact CB-CH2 3.43Å; P41-W143 HydrophobicContact CB-CZ2 3.83Å; P41-W143 HydrophobicContact CB-CZ3 4Å; P41-W143 HydrophobicContact CG-CH2 4.14Å; P41-W143 HydrophobicContact CG-CZ2 4.45Å; I45-W143 HydrophobicContact CD1-CB 3.57Å; I45-W143 HydrophobicContact CD1-CD2 4.02Å; I45-W143 HydrophobicContact CD1-CE3 3.7Å; I45-W143 HydrophobicContact CD1-CG 4.02Å; V116-W143 HydrophobicContact CG1-CD2 3.82Å; V116-W143 HydrophobicContact CG1-CE3 3.73Å; V116-W143 HydrophobicContact CG1-CH2 3.44Å; V116-W143 VanDerWaalsContact CG1-CH2 3.44Å; V116-W143 HydrophobicContact CG1-CZ2 3.47Å; V116-W143 VanDerWaalsContact CG1-CZ2 3.47Å; V116-W143 HydrophobicContact CG1-CZ3 3.56Å; V116-W143 HydrophobicContact CG2-CZ3 4.43Å; F141-W143 AromaticContact CD1-CE3 3.85Å; F141-W143 HydrophobicContact CD1-CE3 3.85Å; F141-W143 HydrophobicContact CE1-CB 4.19Å; F141-W143 HydrophobicContact CE1-CD2 4.46Å; F141-W143 AromaticContact CE1-CE3 3.58Å; F141-W143 HydrophobicContact CE1-CE3 3.58Å; F141-W143 HydrophobicContact CE1-CZ3 4.4Å; F141-W143 HydrophobicContact CE2-CB 4.45Å; F141-W143 HydrophobicContact CZ-CB 4Å; F141-W143 HydrophobicContact CZ-CE3 4.47Å; F141-W143 PolarHBondContact O-N 3.19Å; W143-F145 PolarHBondContact O-N 3.05Å; W143-I146 HydrophobicContact CD2-CD1 3.91Å; W143-I146 HydrophobicContact CE3-CD1 4.45Å; W143-I146 HydrophobicContact CG-CD1 4.04Å; W143-I146 HydrophobicContact CG-CG1 4.26Å; W143-I146 HydrophobicContact CZ2-CD1 4.28Å; W143-L155 PolarHBondContact NE1-O 2.89Å; W143-E156 HydrophobicContact CZ2-CB 4.08Å
144S96.1Very high96.1Very high10 Ų1027.3 Ų27.37%0.0717%0.169CC..  trans55.2-130.4-176.2-173.50000113.1N142 L155 A179N142-S144 PolarHBondContact O-N 2.91Å; N142-S144 PolarHBondContact OD1-N 2.95Å; S144-L155 WeakPolarHBondContact O-CD2 3.49Å; S144-A179 WeakPolarHBondContact OG-CA 3.42Å; S144-A179 WeakPolarHBondContact OG-CB 3.5Å
145F98.2Very high96.6Very high1 Ų124.5 Ų24.50%0.00414%0.138CC..PPolyproline II helixtrans-84.9123.3178.7-78.1-64.8000110.9L11 W143 L153 L155 A179 L180 A488L11-F145 WeakPolarHBondContact CB-O 3.2Å; L11-F145 HydrophobicContact CD1-CB 3.95Å; W143-F145 PolarHBondContact O-N 3.05Å; F145-L153 HydrophobicContact CB-CB 4.11Å; F145-L153 HydrophobicContact CB-CD1 4.19Å; F145-L153 HydrophobicContact CD1-CB 3.79Å; F145-L153 HydrophobicContact CG-CB 4.1Å; F145-L153 HydrophobicContact CG-CD1 4.22Å; F145-L155 HydrophobicContact CD1-CD2 3.47Å; F145-L155 VanDerWaalsContact CD1-CD2 3.47Å; F145-L155 HydrophobicContact CD1-CG 3.85Å; F145-L155 HydrophobicContact CD2-CD2 4.21Å; F145-L155 HydrophobicContact CE1-CD1 4.3Å; F145-L155 HydrophobicContact CE1-CD2 3.5Å; F145-L155 VanDerWaalsContact CE1-CD2 3.5Å; F145-L155 HydrophobicContact CE1-CG 3.57Å; F145-L155 HydrophobicContact CE2-CD2 4.24Å; F145-L155 HydrophobicContact CG-CD2 3.83Å; F145-L155 HydrophobicContact CZ-CD2 3.9Å; F145-L155 HydrophobicContact CZ-CG 4.19Å; F145-A179 HydrophobicContact CD2-CB 4Å; F145-A179 HydrophobicContact CE2-CB 3.75Å; F145-A179 HydrophobicContact CZ-CB 4.29Å; F145-L180 HydrophobicContact CE2-CD2 3.84Å; F145-L180 HydrophobicContact CE2-CG 4.26Å; F145-L180 HydrophobicContact CZ-CD2 3.88Å; F145-L180 HydrophobicContact CZ-CG 4.33Å; F145-A488 HydrophobicContact CD1-CB 4.42Å; F145-A488 HydrophobicContact CE1-CB 3.74Å; F145-A488 HydrophobicContact CZ-CB 3.92Å
146I97.9Very high97.1Very high2 Ų223.3 Ų23.31%0.0113%0.125CC..EExtended strand (participates in β ladder)trans-91.2122.9167.8-61.3173.6000107.7P41 R44 I45 W143 L148 S154 E156P41-I146 HydrophobicContact CB-CD1 3.8Å; R44-I146 HydrophobicContact CB-CG2 3.56Å; R44-I146 HydrophobicContact CG-CG2 4.04Å; I45-I146 HydrophobicContact CD1-CD1 3.95Å; I45-I146 HydrophobicContact CD1-CG1 4.21Å; I45-I146 HydrophobicContact CG1-CD1 4.28Å; I45-I146 HydrophobicContact CG1-CG1 4.31Å; W143-I146 HydrophobicContact CD2-CD1 3.91Å; W143-I146 HydrophobicContact CE3-CD1 4.45Å; W143-I146 HydrophobicContact CG-CD1 4.04Å; W143-I146 HydrophobicContact CG-CG1 4.26Å; W143-I146 HydrophobicContact CZ2-CD1 4.28Å; I146-L148 HydrophobicContact CG2-CD2 4.17Å; I146-L148 PolarHBondContact O-N 3.22Å; I146-S154 PolarHBondContact N-O 2.85Å; I146-S154 PolarHBondContact O-N 2.85Å; I146-E156 HydrophobicContact CD1-CB 4.42Å; I146-E156 HydrophobicContact CD1-CG 3.86Å
147P97.9Very high97.1Very high8 Ų823.2 Ų23.25%0.05212%0.124CC..EExtended strand (participates in β ladder)trans-70.8118.6172.130-33.5000109.2P8 Q12 R44 L153P8-P147 HydrophobicContact CB-CB 3.94Å; Q12-P147 HydrophobicContact CB-CG 4.09Å; R44-P147 PolarHBondContact NE-O 3.49Å; R44-P147 PolarHBondContact NH2-O 3.1Å; P147-L153 HydrophobicContact CB-CD2 3.81Å
148L97.5Very high97Very high12 Ų1221.7 Ų21.76%0.06312%0.122CC..EExtended strand (participates in β ladder)trans-88.5-34172.7-58.9-170000110.8R44 I146 L152 H281 V492R44-L148 PolarHBondContact NH2-O 3.37Å; I146-L148 HydrophobicContact CG2-CD2 4.17Å; I146-L148 PolarHBondContact O-N 3.22Å; L148-L152 HydrophobicContact CB-CD2 4.08Å; L148-L152 HydrophobicContact CB-CG 4.16Å; L148-L152 HydrophobicContact CD1-CD2 4.27Å; L148-L152 PolarHBondContact N-O 3.1Å; L148-H281 PolarHBondContact O-CD2 3.21Å; L148-V492 HydrophobicContact CD1-CG2 3.81Å
149D97.3Very high96.8Very high8 Ų822.9 Ų22.94%0.04313%0.127CC..EExtended strand (participates in β ladder)trans-145.2174.8173.5-149.1-71.1000110.5D151 L152 H281 S282 R291D149-D151 PolarHBondContact O-N 2.92Å; D149-D151 VanDerWaalsContact O-N 3.14Å; D149-L152 HydrophobicContact CB-CB 3.95Å; D149-L152 PolarHBondContact N-O 3.37Å; D149-L152 VanDerWaalsContact N-O 3.14Å; D149-L152 PolarHBondContact O-N 3.32Å; D149-H281 IonicContact OD1-NE2 3.13Å; D149-H281 IonicContact OD2-CD2 2.75Å; D149-S282 WeakPolarHBondContact OD1-CB 3.39Å; D149-S282 PolarHBondContact OD1-OG 3.29Å; D149-S282 PolarHBondContact OD2-N 2.87Å; D149-R291 IonicContact OD1-NH1 2.77Å; D149-R291 PolarHBondContact OD1-NH1 3.19Å; D149-R291 IonicContact OD2-CZ 2.94Å; D149-R291 IonicContact OD2-NH1 3.17Å; D149-R291 PolarHBondContact OD2-NH1 3.01Å
150S95.7Very high96.8Very high60 Ų6019.8 Ų19.842%0.4211%0.11SC..THydrogen-bonded Turntrans-54.3-29.5176.957.60000114.1S282S150-S282 PolarHBondContact OG-OG 2.73Å
151D96.5Very high96.7Very high25 Ų2516.1 Ų16.113%0.1349%0.093CC..THydrogen-bonded Turntrans-118.94.4-177.565.4-22.7000113.3D149 R475 I487D149-D151 PolarHBondContact O-N 2.92Å; D149-D151 VanDerWaalsContact O-N 3.14Å; D151-R475 IonicContact OD1-CZ 3.09Å; D151-R475 IonicContact OD1-NE 2.94Å; D151-R475 IonicContact OD1-NH2 3.94Å; D151-R475 PolarHBondContact OD1-NH2 3.47Å; D151-R475 WeakPolarHBondContact OD2-CG 3.4Å; D151-R475 IonicContact OD2-CZ 3.91Å; D151-R475 IonicContact OD2-NE 3.91Å; D151-R475 PolarHBondContact OD2-NE 3.01Å; D151-R475 IonicContact OD2-NH2 3.74Å; D151-I487 PolarHBondContact O-N 3.32Å
152L98.1Very high96.4Very high9 Ų916.7 Ų16.75%0.04710%0.097CC..EExtended strand (participates in β ladder)trans-130.3116.2-172.4-179.663.2000111.8L148 D149 I471 I487 V492L148-L152 HydrophobicContact CB-CD2 4.08Å; L148-L152 HydrophobicContact CB-CG 4.16Å; L148-L152 HydrophobicContact CD1-CD2 4.27Å; L148-L152 PolarHBondContact N-O 3.1Å; D149-L152 HydrophobicContact CB-CB 3.95Å; D149-L152 PolarHBondContact N-O 3.37Å; D149-L152 VanDerWaalsContact N-O 3.14Å; D149-L152 PolarHBondContact O-N 3.32Å; L152-I471 HydrophobicContact CD1-CD1 4.02Å; L152-I471 HydrophobicContact CD1-CG1 4.23Å; L152-I471 HydrophobicContact CD2-CD1 3.76Å; L152-I487 CarbonylContact C-O 3.56Å; L152-I487 WeakPolarHBondContact CA-O 3.45Å; L152-I487 HydrophobicContact CD1-CB 3.91Å; L152-I487 HydrophobicContact CD1-CG2 3.73Å; L152-V492 HydrophobicContact CD2-CG2 4.21Å
153L98.5Very high96.2Very high2 Ų215.7 Ų15.71%0.019%0.093CC..EExtended strand (participates in β ladder)trans-109.3142.5174.8-56.2-176000110.6F6 P8 L11 F145 P147 F183 I487 A488 A489F6-L153 HydrophobicContact CZ-CD1 4.1Å; F6-L153 HydrophobicContact CZ-CD2 4.43Å; F6-L153 HydrophobicContact CZ-CG 4.47Å; P8-L153 HydrophobicContact CB-CD2 3.95Å; L11-L153 HydrophobicContact CD1-CD1 3.88Å; L11-L153 HydrophobicContact CD1-CD2 3.96Å; F145-L153 HydrophobicContact CB-CB 4.11Å; F145-L153 HydrophobicContact CB-CD1 4.19Å; F145-L153 HydrophobicContact CD1-CB 3.79Å; F145-L153 HydrophobicContact CG-CB 4.1Å; F145-L153 HydrophobicContact CG-CD1 4.22Å; P147-L153 HydrophobicContact CB-CD2 3.81Å; L153-F183 HydrophobicContact CD1-CD2 4.05Å; L153-F183 HydrophobicContact CD1-CE2 3.73Å; L153-I487 PolarHBondContact N-O 3.05Å; L153-A488 HydrophobicContact CB-CB 4.14Å; L153-A488 CarbonylContact O-C 3.54Å; L153-A488 WeakPolarHBondContact O-CA 3.2Å; L153-A489 PolarHBondContact O-N 2.82Å
154S98.4Very high96.2Very high0 Ų015.9 Ų15.90%09%0.094CC..EExtended strand (participates in β ladder)trans-134.9137.6178178.70000110.2I146 E156 A489I146-S154 PolarHBondContact N-O 2.85Å; I146-S154 PolarHBondContact O-N 2.85Å; S154-E156 WeakPolarHBondContact CB-OE1 3.19Å; S154-E156 PolarHBondContact O-N 3.12Å; S154-E156 PolarHBondContact OG-N 2.99Å; S154-E156 PolarHBondContact OG-OE1 3.38Å; S154-A489 CarbonylContact C-O 3.37Å; S154-A489 WeakPolarHBondContact CA-O 3.04Å
155L98.3Very high96Very high8 Ų817.8 Ų17.84%0.04210%0.101CC..  trans-75.7-9.4167.3-61.4176000112.2W143 S144 F145 L157 V176 A179 A489 T490W143-L155 PolarHBondContact NE1-O 2.89Å; S144-L155 WeakPolarHBondContact O-CD2 3.49Å; F145-L155 HydrophobicContact CD1-CD2 3.47Å; F145-L155 VanDerWaalsContact CD1-CD2 3.47Å; F145-L155 HydrophobicContact CD1-CG 3.85Å; F145-L155 HydrophobicContact CD2-CD2 4.21Å; F145-L155 HydrophobicContact CE1-CD1 4.3Å; F145-L155 HydrophobicContact CE1-CD2 3.5Å; F145-L155 VanDerWaalsContact CE1-CD2 3.5Å; F145-L155 HydrophobicContact CE1-CG 3.57Å; F145-L155 HydrophobicContact CE2-CD2 4.24Å; F145-L155 HydrophobicContact CG-CD2 3.83Å; F145-L155 HydrophobicContact CZ-CD2 3.9Å; F145-L155 HydrophobicContact CZ-CG 4.19Å; L155-L157 VanDerWaalsContact C-N 3.32Å; L155-L157 HydrophobicContact CB-CB 4.12Å; L155-L157 PolarHBondContact O-N 3.46Å; L155-V176 HydrophobicContact CD1-CB 4.36Å; L155-V176 HydrophobicContact CD1-CG2 3.78Å; L155-A179 HydrophobicContact CD2-CB 3.47Å; L155-A179 VanDerWaalsContact CD2-CB 3.47Å; L155-A489 PolarHBondContact N-O 3.42Å; L155-T490 HydrophobicContact CD1-CG2 4.36Å
156E97.5Very high95.7Very high21 Ų2120.7 Ų20.710%0.09812%0.119CC..  trans4856.5-169.7-62.9-66.8119.600110P41 R81 W143 I146 S154 P158 S259 T490P41-E156 HydrophobicContact CB-CB 4.19Å; P41-E156 HydrophobicContact CB-CG 4.03Å; P41-E156 HydrophobicContact CG-CB 3.97Å; P41-E156 HydrophobicContact CG-CG 3.96Å; R81-E156 VanDerWaalsContact CZ-O 3.25Å; R81-E156 PolarHBondContact NH1-O 3.39Å; R81-E156 PolarHBondContact NH2-O 3.08Å; W143-E156 HydrophobicContact CZ2-CB 4.08Å; I146-E156 HydrophobicContact CD1-CB 4.42Å; I146-E156 HydrophobicContact CD1-CG 3.86Å; S154-E156 WeakPolarHBondContact CB-OE1 3.19Å; S154-E156 PolarHBondContact O-N 3.12Å; S154-E156 PolarHBondContact OG-N 2.99Å; S154-E156 PolarHBondContact OG-OE1 3.38Å; E156-P158 WeakPolarHBondContact O-CD 3.44Å; E156-S259 WeakPolarHBondContact OE2-CB 3.41Å; E156-S259 PolarHBondContact OE2-OG 3.32Å; E156-T490 PolarHBondContact N-O 2.94Å
157L96Very high95.4Very high2 Ų224.8 Ų24.81%0.0114%0.141CC..  trans-125.174-176.5-169.465.4000110.1L155 D159 Y160 W172 T175 T490L155-L157 VanDerWaalsContact C-N 3.32Å; L155-L157 HydrophobicContact CB-CB 4.12Å; L155-L157 PolarHBondContact O-N 3.46Å; L157-D159 VanDerWaalsContact C-N 3.31Å; L157-D159 PolarHBondContact O-N 2.62Å; L157-Y160 HydrophobicContact CD2-CD2 4.02Å; L157-Y160 WeakPolarHBondContact O-CB 3.43Å; L157-Y160 PolarHBondContact O-N 3.2Å; L157-W172 HydrophobicContact CD1-CD2 3.97Å; L157-W172 HydrophobicContact CD1-CE3 3.89Å; L157-W172 HydrophobicContact CD1-CH2 3.84Å; L157-W172 HydrophobicContact CD1-CZ2 3.95Å; L157-W172 HydrophobicContact CD1-CZ3 3.84Å; L157-W172 HydrophobicContact CD2-CB 3.89Å; L157-W172 HydrophobicContact CD2-CD2 3.74Å; L157-W172 HydrophobicContact CD2-CE3 3.88Å; L157-W172 HydrophobicContact CD2-CG 3.76Å; L157-W172 HydrophobicContact CG-CD2 4.22Å; L157-W172 HydrophobicContact CG-CE3 4.45Å; L157-W172 HydrophobicContact CG-CG 4.47Å; L157-T175 HydrophobicContact CD2-CG2 4.44Å; L157-T490 WeakPolarHBondContact CA-O 3.19Å; L157-T490 PolarHBondContact N-O 3.28Å
158P92.8Very high95.2Very high57 Ų5731.1 Ų31.137%0.3717%0.174SC..THydrogen-bonded Turntrans-63.8-34-174.725.7-33.7000113.1E156 Y160E156-P158 WeakPolarHBondContact O-CD 3.44Å; P158-Y160 PolarHBondContact O-N 3.27Å; P158-Y160 VanDerWaalsContact O-N 3.13Å
159D92.4Very high95Very high60 Ų6033 Ų3332%0.32119%0.186SC..THydrogen-bonded Turntrans-72.6-4.2-178-52.9-34.5000113.8L157 F161 S162 S163L157-D159 VanDerWaalsContact C-N 3.31Å; L157-D159 PolarHBondContact O-N 2.62Å; D159-F161 PolarHBondContact O-N 2.95Å; D159-S162 PolarHBondContact O-OG 2.99Å; D159-S163 WeakPolarHBondContact O-CB 3.39Å; D159-S163 PolarHBondContact O-N 3.09Å; D159-S163 PolarHBondContact O-OG 3.36Å
160Y95.3Very high94.8Very high0 Ų037.9 Ų37.90%021%0.213CC..Hα-helixtrans-56.3-43.9178.3-173-78000111L157 P158 S163 T164 F165 W172 V176 S200 L463 G464 T490L157-Y160 HydrophobicContact CD2-CD2 4.02Å; L157-Y160 WeakPolarHBondContact O-CB 3.43Å; L157-Y160 PolarHBondContact O-N 3.2Å; P158-Y160 PolarHBondContact O-N 3.27Å; P158-Y160 VanDerWaalsContact O-N 3.13Å; Y160-S163 PolarHBondContact O-OG 3.21Å; Y160-T164 HydrophobicContact CE1-CG2 4.08Å; Y160-T164 WeakPolarHBondContact O-CB 3.48Å; Y160-T164 PolarHBondContact O-N 2.92Å; Y160-T164 PolarHBondContact O-OG1 2.85Å; Y160-F165 HydrophobicContact CD1-CE2 4.07Å; Y160-F165 AromaticContact CE1-CE2 3.78Å; Y160-F165 HydrophobicContact CE1-CE2 3.78Å; Y160-F165 HydrophobicContact CE1-CZ 4.15Å; Y160-W172 HydrophobicContact CD2-CB 3.37Å; Y160-W172 AromaticContact CD2-CG 3.97Å; Y160-W172 HydrophobicContact CD2-CG 3.97Å; Y160-W172 HydrophobicContact CE2-CB 3.6Å; Y160-W172 HydrophobicContact CG-CB 4.46Å; Y160-V176 HydrophobicContact CD2-CG2 4.04Å; Y160-V176 HydrophobicContact CE2-CG2 3.5Å; Y160-S200 PolarHBondContact OH-OG 3.47Å; Y160-L463 HydrophobicContact CE1-CB 3.91Å; Y160-G464 VanDerWaalsContact CD1-CA 3.47Å; Y160-T490 HydrophobicContact CD1-CG2 4.01Å; Y160-T490 HydrophobicContact CD2-CG2 3.5Å; Y160-T490 HydrophobicContact CE1-CG2 4.32Å; Y160-T490 HydrophobicContact CE2-CG2 3.88Å; Y160-T490 HydrophobicContact CG-CG2 3.57Å
161F94.8Very high94.6Very high19 Ų1938 Ų388%0.08321%0.208CC..Hα-helixtrans-64.2-54.3-175.4-179.3-86.4000111.9D159 T164 F165 V166 R233 L498 M502D159-F161 PolarHBondContact O-N 2.95Å; F161-T164 PolarHBondContact O-N 3.15Å; F161-F165 HydrophobicContact CD2-CB 4.47Å; F161-F165 AromaticContact CD2-CD2 3.64Å; F161-F165 HydrophobicContact CD2-CD2 3.64Å; F161-F165 HydrophobicContact CD2-CE2 4.37Å; F161-F165 HydrophobicContact CD2-CG 4.43Å; F161-F165 HydrophobicContact CE2-CB 4.23Å; F161-F165 HydrophobicContact CE2-CD2 4.01Å; F161-F165 HydrophobicContact CE2-CG 4.41Å; F161-F165 HydrophobicContact CG-CD2 4.22Å; F161-F165 HydrophobicContact CZ-CB 4.34Å; F161-F165 WeakPolarHBondContact O-CB 3.44Å; F161-F165 PolarHBondContact O-N 2.93Å; F161-V166 HydrophobicContact CD1-CG2 4.17Å; F161-V166 HydrophobicContact CE1-CG2 3.79Å; F161-R233 HydrophobicContact CD2-CB 4.01Å; F161-R233 HydrophobicContact CD2-CG 3.7Å; F161-R233 HydrophobicContact CE2-CB 4.14Å; F161-R233 HydrophobicContact CE2-CG 3.63Å; F161-L498 HydrophobicContact CB-CD1 4.18Å; F161-L498 HydrophobicContact CD1-CD1 3.28Å; F161-L498 HydrophobicContact CD1-CG 4.37Å; F161-L498 HydrophobicContact CD2-CD1 3.72Å; F161-L498 HydrophobicContact CE1-CD1 3.46Å; F161-L498 VanDerWaalsContact CE1-CD1 3.46Å; F161-L498 HydrophobicContact CE1-CG 4.19Å; F161-L498 HydrophobicContact CE2-CD1 3.88Å; F161-L498 HydrophobicContact CG-CD1 3.42Å; F161-L498 VanDerWaalsContact CG-CD1 3.42Å; F161-L498 HydrophobicContact CZ-CD1 3.76Å; F161-L498 HydrophobicContact CZ-CD2 4.34Å; F161-L498 HydrophobicContact CZ-CG 4.45Å; F161-M502 HydrophobicContact CE1-CG 4.11Å; F161-M502 HydrophobicContact CE1-SD 4.31Å
162S93.1Very high94.5Very high13 Ų1337.2 Ų37.29%0.09120%0.203CC..Iπ-helixtrans-59.3-54.7-179.4440000110.5D159 T164 V166 D167D159-S162 PolarHBondContact O-OG 2.99Å; S162-T164 VanDerWaalsContact C-N 3.3Å; S162-T164 PolarHBondContact O-N 3.37Å; S162-V166 CarbonylContact O-C 3.57Å; S162-V166 WeakPolarHBondContact O-CA 3.45Å; S162-V166 WeakPolarHBondContact O-CB 3.21Å; S162-V166 PolarHBondContact O-N 3.28Å; S162-D167 PolarHBondContact O-N 2.89Å
163S92.5Very high94.5Very high8 Ų837.4 Ų37.46%0.05620%0.204CC..Iπ-helixtrans-61.6-33.4-178.158.60000114.5D159 Y160 T169 W172D159-S163 WeakPolarHBondContact O-CB 3.39Å; D159-S163 PolarHBondContact O-N 3.09Å; D159-S163 PolarHBondContact O-OG 3.36Å; Y160-S163 PolarHBondContact O-OG 3.21Å; S163-T169 WeakPolarHBondContact O-CA 2.95Å; S163-T169 WeakPolarHBondContact O-CB 3.49Å; S163-T169 PolarHBondContact O-N 2.87Å; S163-T169 PolarHBondContact O-OG1 3.18Å; S163-W172 PolarHBondContact OG-NE1 2.94Å
164T95.3Very high94.4Very high8 Ų841.1 Ų41.15%0.04922%0.221CC..Iπ-helixtrans-90.6-47.7-175.8-55.20000112.5Y160 F161 S162 D168 T169 F173Y160-T164 HydrophobicContact CE1-CG2 4.08Å; Y160-T164 WeakPolarHBondContact O-CB 3.48Å; Y160-T164 PolarHBondContact O-N 2.92Å; Y160-T164 PolarHBondContact O-OG1 2.85Å; F161-T164 PolarHBondContact O-N 3.15Å; S162-T164 VanDerWaalsContact C-N 3.3Å; S162-T164 PolarHBondContact O-N 3.37Å; T164-D168 WeakPolarHBondContact O-CA 3.28Å; T164-T169 WeakPolarHBondContact CA-O 3.34Å; T164-F173 HydrophobicContact CG2-CE1 3.55Å; T164-F173 HydrophobicContact CG2-CZ 3.98Å
165F93.3Very high94.3Very high50 Ų5041.3 Ų41.322%0.21922%0.222CC..Iπ-helixtrans-103.1-15.4-169.9-56.5-69.7000113.3Y160 F161 D232 R233 D234 L463Y160-F165 HydrophobicContact CD1-CE2 4.07Å; Y160-F165 AromaticContact CE1-CE2 3.78Å; Y160-F165 HydrophobicContact CE1-CE2 3.78Å; Y160-F165 HydrophobicContact CE1-CZ 4.15Å; F161-F165 HydrophobicContact CD2-CB 4.47Å; F161-F165 AromaticContact CD2-CD2 3.64Å; F161-F165 HydrophobicContact CD2-CD2 3.64Å; F161-F165 HydrophobicContact CD2-CE2 4.37Å; F161-F165 HydrophobicContact CD2-CG 4.43Å; F161-F165 HydrophobicContact CE2-CB 4.23Å; F161-F165 HydrophobicContact CE2-CD2 4.01Å; F161-F165 HydrophobicContact CE2-CG 4.41Å; F161-F165 HydrophobicContact CG-CD2 4.22Å; F161-F165 HydrophobicContact CZ-CB 4.34Å; F161-F165 WeakPolarHBondContact O-CB 3.44Å; F161-F165 PolarHBondContact O-N 2.93Å; F165-D232 HydrophobicContact CE1-CB 3.95Å; F165-D232 HydrophobicContact CZ-CB 3.82Å; F165-R233 HydrophobicContact CE2-CB 4.14Å; F165-D234 HydrophobicContact CD1-CB 3.64Å; F165-D234 HydrophobicContact CE1-CB 3.96Å; F165-D234 VanDerWaalsContact CE1-CG 3.47Å; F165-D234 WeakPolarHBondContact CE1-OD1 3.44Å; F165-D234 HydrophobicContact CG-CB 4.21Å; F165-L463 WeakPolarHBondContact CE2-O 3.47Å
166V91Very high94.3Very high63 Ų6341 Ų4138%0.38222%0.221SC..Iπ-helixtrans-101.8-53.5174-1750000110.2F161 S162 D168 M502 C505F161-V166 HydrophobicContact CD1-CG2 4.17Å; F161-V166 HydrophobicContact CE1-CG2 3.79Å; S162-V166 CarbonylContact O-C 3.57Å; S162-V166 WeakPolarHBondContact O-CA 3.45Å; S162-V166 WeakPolarHBondContact O-CB 3.21Å; S162-V166 PolarHBondContact O-N 3.28Å; V166-D168 VanDerWaalsContact C-N 3.32Å; V166-D168 PolarHBondContact O-N 2.81Å; V166-M502 HydrophobicContact CG2-CG 4.27Å; V166-C505 HydrophobicContact CG1-CB 4.13Å
167D91.6Very high94.3Very high87 Ų8740 Ų4047%0.46522%0.216SC..SBendtrans-85.1-4.8-177-54-27.6000113.4S162 T169 C505S162-D167 PolarHBondContact O-N 2.89Å; D167-T169 VanDerWaalsContact C-N 3.32Å; D167-T169 HydrophobicContact CB-CG2 3.91Å; D167-T169 WeakPolarHBondContact O-CG2 3.44Å; D167-T169 PolarHBondContact O-N 2.92Å; D167-C505 PolarHBondContact OD1-SG 3.44Å
168D93.2Very high94.4Very high142 Ų14242.3 Ų42.376%0.75923%0.227SC*.  trans53.543.1-179.8-162.433.5000113.6T164 V166T164-D168 WeakPolarHBondContact O-CA 3.28Å; V166-D168 VanDerWaalsContact C-N 3.32Å; V166-D168 PolarHBondContact O-N 2.81Å
169T93Very high94.7Very high51 Ų5139.6 Ų39.631%0.31321%0.209SC..  trans-107.9155.6178.680.60000112.6S163 T164 D167S163-T169 WeakPolarHBondContact O-CA 2.95Å; S163-T169 WeakPolarHBondContact O-CB 3.49Å; S163-T169 PolarHBondContact O-N 2.87Å; S163-T169 PolarHBondContact O-OG1 3.18Å; T164-T169 WeakPolarHBondContact CA-O 3.34Å; D167-T169 VanDerWaalsContact C-N 3.32Å; D167-T169 HydrophobicContact CB-CG2 3.91Å; D167-T169 WeakPolarHBondContact O-CG2 3.44Å; D167-T169 PolarHBondContact O-N 2.92Å
170N92.8Very high95Very high111 Ų11136.7 Ų36.759%0.59419%0.194SC*.  trans-98.519.9178.1-59.5-30.4000112.7W172 F173N170-W172 PolarHBondContact O-N 2.81Å; N170-F173 HydrophobicContact CB-CD2 3.66Å; N170-F173 HydrophobicContact CB-CE2 3.76Å; N170-F173 HydrophobicContact CB-CG 4.17Å; N170-F173 HydrophobicContact CB-CZ 4.3Å; N170-F173 VanDerWaalsContact CG-CE2 3.45Å; N170-F173 PolarHBondContact O-N 2.76Å; N170-F173 WeakPolarHBondContact OD1-CE2 3.45Å; N170-F173 VanDerWaalsContact OD1-CZ 3.27Å; N170-F173 WeakPolarHBondContact OD1-CZ 3.38Å
171L92Very high95.1Very high63 Ų6338.4 Ų38.433%0.3320%0.2SC..THydrogen-bonded Turntrans-52.7-38.2-165.2-174.361.4000113.4L120L120-L171 HydrophobicContact CD2-CD1 3.62Å
172W95.5Very high95.1Very high7 Ų740.3 Ų40.33%0.02721%0.209CC..THydrogen-bonded Turntrans-105.6-1-170.6-56.8116.3000115P82 P117 R118 L157 Y160 S163 N170 Q174 T175 V176P82-W172 HydrophobicContact CG-CH2 3.49Å; P82-W172 VanDerWaalsContact CG-CH2 3.49Å; P82-W172 HydrophobicContact CG-CZ2 4.46Å; P82-W172 HydrophobicContact CG-CZ3 4.11Å; P117-W172 HydrophobicContact CG-CZ3 4.34Å; R118-W172 HydrophobicContact CG-CZ3 4.25Å; L157-W172 HydrophobicContact CD1-CD2 3.97Å; L157-W172 HydrophobicContact CD1-CE3 3.89Å; L157-W172 HydrophobicContact CD1-CH2 3.84Å; L157-W172 HydrophobicContact CD1-CZ2 3.95Å; L157-W172 HydrophobicContact CD1-CZ3 3.84Å; L157-W172 HydrophobicContact CD2-CB 3.89Å; L157-W172 HydrophobicContact CD2-CD2 3.74Å; L157-W172 HydrophobicContact CD2-CE3 3.88Å; L157-W172 HydrophobicContact CD2-CG 3.76Å; L157-W172 HydrophobicContact CG-CD2 4.22Å; L157-W172 HydrophobicContact CG-CE3 4.45Å; L157-W172 HydrophobicContact CG-CG 4.47Å; Y160-W172 HydrophobicContact CD2-CB 3.37Å; Y160-W172 AromaticContact CD2-CG 3.97Å; Y160-W172 HydrophobicContact CD2-CG 3.97Å; Y160-W172 HydrophobicContact CE2-CB 3.6Å; Y160-W172 HydrophobicContact CG-CB 4.46Å; S163-W172 PolarHBondContact OG-NE1 2.94Å; N170-W172 PolarHBondContact O-N 2.81Å; W172-Q174 VanDerWaalsContact C-N 3.32Å; W172-Q174 PolarHBondContact O-N 2.8Å; W172-T175 WeakPolarHBondContact O-CB 3.16Å; W172-T175 PolarHBondContact O-N 2.87Å; W172-T175 VanDerWaalsContact O-N 3.07Å; W172-V176 WeakPolarHBondContact O-CG2 3.37Å; W172-V176 PolarHBondContact O-N 2.79Å
173F97Very high95.3Very high13 Ų1339.8 Ų39.86%0.05721%0.205CC..Hα-helixtrans-60.5-44.4-175.1-69.51.6000111.8T164 N170 T175 V176 A177 S200 V203 V204 L207T164-F173 HydrophobicContact CG2-CE1 3.55Å; T164-F173 HydrophobicContact CG2-CZ 3.98Å; N170-F173 HydrophobicContact CB-CD2 3.66Å; N170-F173 HydrophobicContact CB-CE2 3.76Å; N170-F173 HydrophobicContact CB-CG 4.17Å; N170-F173 HydrophobicContact CB-CZ 4.3Å; N170-F173 VanDerWaalsContact CG-CE2 3.45Å; N170-F173 PolarHBondContact O-N 2.76Å; N170-F173 WeakPolarHBondContact OD1-CE2 3.45Å; N170-F173 VanDerWaalsContact OD1-CZ 3.27Å; N170-F173 WeakPolarHBondContact OD1-CZ 3.38Å; F173-T175 VanDerWaalsContact C-N 3.32Å; F173-T175 PolarHBondContact O-N 2.75Å; F173-V176 PolarHBondContact O-N 2.81Å; F173-A177 VanDerWaalsContact O-CB 3.31Å; F173-A177 WeakPolarHBondContact O-CB 3.4Å; F173-A177 PolarHBondContact O-N 2.79Å; F173-S200 WeakPolarHBondContact CE1-OG 3.14Å; F173-S200 WeakPolarHBondContact CZ-OG 3.43Å; F173-V203 HydrophobicContact CD2-CB 4.04Å; F173-V203 HydrophobicContact CD2-CG1 3.51Å; F173-V203 HydrophobicContact CE2-CB 4.08Å; F173-V203 HydrophobicContact CE2-CG1 3.95Å; F173-V203 HydrophobicContact CE2-CG2 4.41Å; F173-V203 HydrophobicContact CG-CG1 4.49Å; F173-V204 HydrophobicContact CB-CG2 4.23Å; F173-V204 HydrophobicContact CD1-CG2 4.45Å; F173-V204 HydrophobicContact CG-CG2 4.37Å; F173-L207 HydrophobicContact CB-CD1 3.71Å
174Q95.7Very high95.5Very high81 Ų8140.6 Ų40.638%0.37921%0.208SC..Hα-helixtrans-63.6-37.8176.7-170.2-179.614.900112R118 W172 A177 Q178R118-Q174 VanDerWaalsContact NH2-OE1 3.09Å; W172-Q174 VanDerWaalsContact C-N 3.32Å; W172-Q174 PolarHBondContact O-N 2.8Å; Q174-A177 PolarHBondContact O-N 3.14Å; Q174-Q178 HydrophobicContact CG-CG 4.39Å; Q174-Q178 VanDerWaalsContact O-CB 3.3Å; Q174-Q178 WeakPolarHBondContact O-CB 3.45Å; Q174-Q178 WeakPolarHBondContact O-CG 3.47Å; Q174-Q178 PolarHBondContact O-N 2.84Å
175T97.2Very high95.4Very high4 Ų442.3 Ų42.33%0.02522%0.22CC..Hα-helixtrans-61.7-48.2177.4-58.50000111.1P117 R118 L157 W172 F173 Q178 A179P117-T175 HydrophobicContact CB-CG2 4.25Å; P117-T175 HydrophobicContact CG-CG2 3.46Å; P117-T175 VanDerWaalsContact CG-CG2 3.46Å; R118-T175 WeakPolarHBondContact CD-OG1 3.39Å; L157-T175 HydrophobicContact CD2-CG2 4.44Å; W172-T175 WeakPolarHBondContact O-CB 3.16Å; W172-T175 PolarHBondContact O-N 2.87Å; W172-T175 VanDerWaalsContact O-N 3.07Å; F173-T175 VanDerWaalsContact C-N 3.32Å; F173-T175 PolarHBondContact O-N 2.75Å; T175-Q178 PolarHBondContact O-N 3.27Å; T175-A179 PolarHBondContact O-N 3.25Å; T175-A179 VanDerWaalsContact O-N 3.09Å
176V98.3Very high95.5Very high1 Ų142.5 Ų42.51%0.00622%0.223CC..Hα-helixtrans-63.8-47.3177.5177.60000110.5L155 Y160 W172 F173 Q178 A179 L180 V204 L463 T490L155-V176 HydrophobicContact CD1-CB 4.36Å; L155-V176 HydrophobicContact CD1-CG2 3.78Å; Y160-V176 HydrophobicContact CD2-CG2 4.04Å; Y160-V176 HydrophobicContact CE2-CG2 3.5Å; W172-V176 WeakPolarHBondContact O-CG2 3.37Å; W172-V176 PolarHBondContact O-N 2.79Å; F173-V176 PolarHBondContact O-N 2.81Å; V176-Q178 VanDerWaalsContact C-N 3.33Å; V176-Q178 PolarHBondContact O-N 3.19Å; V176-A179 PolarHBondContact O-N 3.33Å; V176-A179 VanDerWaalsContact O-N 3.17Å; V176-L180 HydrophobicContact CG1-CD1 3.83Å; V176-L180 HydrophobicContact CG1-CG 4.45Å; V176-L180 WeakPolarHBondContact O-CG 3.33Å; V176-L180 PolarHBondContact O-N 2.76Å; V176-V204 HydrophobicContact CB-CG1 4.34Å; V176-V204 HydrophobicContact CB-CG2 4.34Å; V176-V204 HydrophobicContact CG1-CG1 3.72Å; V176-V204 HydrophobicContact CG1-CG2 4.3Å; V176-L463 HydrophobicContact CB-CD2 4.5Å; V176-L463 HydrophobicContact CG1-CD2 3.46Å; V176-L463 VanDerWaalsContact CG1-CD2 3.46Å; V176-L463 HydrophobicContact CG2-CD2 4.33Å; V176-T490 HydrophobicContact CG2-CG2 3.98Å
177A98.3Very high95.7Very high0 Ų039.9 Ų39.90%021%0.207CC..Hα-helixtrans-60.1-42.3179.500000111.9F173 Q174 A179 L180 W181 V204 L207 I208 L211F173-A177 VanDerWaalsContact O-CB 3.31Å; F173-A177 WeakPolarHBondContact O-CB 3.4Å; F173-A177 PolarHBondContact O-N 2.79Å; Q174-A177 PolarHBondContact O-N 3.14Å; A177-A179 PolarHBondContact O-N 2.76Å; A177-L180 PolarHBondContact O-N 3.35Å; A177-W181 VanDerWaalsContact O-CB 3.25Å; A177-W181 WeakPolarHBondContact O-CB 3.09Å; A177-W181 PolarHBondContact O-N 3.3Å; A177-V204 HydrophobicContact CB-CG1 4.36Å; A177-L207 HydrophobicContact CB-CB 3.57Å; A177-L207 HydrophobicContact CB-CD1 4.47Å; A177-I208 HydrophobicContact CB-CG1 3.92Å; A177-L211 HydrophobicContact CB-CD1 3.86Å
178Q97.6Very high95.8Very high50 Ų5035.8 Ų35.823%0.23419%0.185CC..Hα-helixtrans-63.3-38.9175.5-78.2175.9-12.500112.8Q174 T175 V176 H182 L211Q174-Q178 HydrophobicContact CG-CG 4.39Å; Q174-Q178 VanDerWaalsContact O-CB 3.3Å; Q174-Q178 WeakPolarHBondContact O-CB 3.45Å; Q174-Q178 WeakPolarHBondContact O-CG 3.47Å; Q174-Q178 PolarHBondContact O-N 2.84Å; T175-Q178 PolarHBondContact O-N 3.27Å; V176-Q178 VanDerWaalsContact C-N 3.33Å; V176-Q178 PolarHBondContact O-N 3.19Å; Q178-H182 WeakPolarHBondContact O-CB 3.46Å; Q178-H182 PolarHBondContact O-N 2.69Å; Q178-H182 PolarHBondContact O-ND1 2.73Å; Q178-H182 VanDerWaalsContact O-ND1 3.11Å; Q178-L211 HydrophobicContact CB-CD1 4.4Å; Q178-L211 HydrophobicContact CG-CD1 3.8Å; Q178-L211 HydrophobicContact CG-CD2 4.28Å
179A98.3Very high95.9Very high0 Ų030.8 Ų30.80%016%0.16CC..Hα-helixtrans-67.9-41.4177.100000111.9S144 F145 L155 T175 V176 A177 H182 F183S144-A179 WeakPolarHBondContact OG-CA 3.42Å; S144-A179 WeakPolarHBondContact OG-CB 3.5Å; F145-A179 HydrophobicContact CD2-CB 4Å; F145-A179 HydrophobicContact CE2-CB 3.75Å; F145-A179 HydrophobicContact CZ-CB 4.29Å; L155-A179 HydrophobicContact CD2-CB 3.47Å; L155-A179 VanDerWaalsContact CD2-CB 3.47Å; T175-A179 PolarHBondContact O-N 3.25Å; T175-A179 VanDerWaalsContact O-N 3.09Å; V176-A179 PolarHBondContact O-N 3.33Å; V176-A179 VanDerWaalsContact O-N 3.17Å; A177-A179 PolarHBondContact O-N 2.76Å; A179-H182 PolarHBondContact O-N 3.37Å; A179-F183 WeakPolarHBondContact O-CB 3.44Å; A179-F183 PolarHBondContact O-N 2.75Å
180L98.3Very high96.1Very high0 Ų029.5 Ų29.50%015%0.15CC..Hα-helixtrans-71.6-33.8176-68169.5000112.3F145 V176 A177 F183 Q184 F190 V204 I208 L230 V461F145-L180 HydrophobicContact CE2-CD2 3.84Å; F145-L180 HydrophobicContact CE2-CG 4.26Å; F145-L180 HydrophobicContact CZ-CD2 3.88Å; F145-L180 HydrophobicContact CZ-CG 4.33Å; V176-L180 HydrophobicContact CG1-CD1 3.83Å; V176-L180 HydrophobicContact CG1-CG 4.45Å; V176-L180 WeakPolarHBondContact O-CG 3.33Å; V176-L180 PolarHBondContact O-N 2.76Å; A177-L180 PolarHBondContact O-N 3.35Å; L180-F183 WeakPolarHBondContact O-CB 3.41Å; L180-F183 PolarHBondContact O-N 2.55Å; L180-Q184 WeakPolarHBondContact O-CG 3.44Å; L180-Q184 PolarHBondContact O-N 3.19Å; L180-F190 HydrophobicContact CB-CE2 4.2Å; L180-F190 HydrophobicContact CB-CZ 4.13Å; L180-F190 HydrophobicContact CD2-CE2 4.48Å; L180-F190 HydrophobicContact CD2-CZ 3.94Å; L180-V204 HydrophobicContact CD1-CG1 3.88Å; L180-I208 HydrophobicContact CB-CD1 3.54Å; L180-I208 HydrophobicContact CB-CG1 4.05Å; L180-I208 HydrophobicContact CD1-CD1 3.62Å; L180-I208 HydrophobicContact CG-CD1 4.23Å; L180-L230 HydrophobicContact CD1-CD2 4.06Å; L180-V461 HydrophobicContact CD1-CG1 4.34Å; L180-V461 HydrophobicContact CD2-CG1 4.18Å; L180-V461 HydrophobicContact CD2-CG2 3.96Å
181W97.6Very high96.1Very high36 Ų3625 Ų2514%0.13613%0.127CC..Hα-helixtrans-64.4-46170.117687000111.4A177 F183 Q184 S185 L211 L215 G216A177-W181 VanDerWaalsContact O-CB 3.25Å; A177-W181 WeakPolarHBondContact O-CB 3.09Å; A177-W181 PolarHBondContact O-N 3.3Å; W181-F183 VanDerWaalsContact C-N 3.3Å; W181-F183 PolarHBondContact O-N 3.35Å; W181-Q184 WeakPolarHBondContact O-CB 3.46Å; W181-Q184 PolarHBondContact O-N 2.81Å; W181-Q184 VanDerWaalsContact O-N 3.14Å; W181-S185 PolarHBondContact O-N 3.43Å; W181-S185 VanDerWaalsContact O-N 3.08Å; W181-S185 PolarHBondContact O-OG 3.4Å; W181-L211 HydrophobicContact CB-CB 4.39Å; W181-L211 HydrophobicContact CB-CD1 4.21Å; W181-L211 HydrophobicContact CG-CB 4.06Å; W181-L215 HydrophobicContact CH2-CB 3.93Å; W181-L215 HydrophobicContact CH2-CD1 4.08Å; W181-L215 HydrophobicContact CZ2-CB 3.5Å; W181-L215 HydrophobicContact CZ2-CD1 4.23Å; W181-L215 HydrophobicContact CZ3-CD1 4.25Å; W181-G216 WeakPolarHBondContact CZ2-O 3.43Å; W181-G216 PolarHBondContact NE1-O 2.87Å
182H96.1Very high96.1Very high58 Ų5830.7 Ų30.727%0.26915%0.152SC..Hα-helixtrans-59.6-41.3172.9-91.778.3000112Q178 A179 Q184 S185 L186Q178-H182 WeakPolarHBondContact O-CB 3.46Å; Q178-H182 PolarHBondContact O-N 2.69Å; Q178-H182 PolarHBondContact O-ND1 2.73Å; Q178-H182 VanDerWaalsContact O-ND1 3.11Å; A179-H182 PolarHBondContact O-N 3.37Å; H182-Q184 VanDerWaalsContact C-N 3.28Å; H182-Q184 PolarHBondContact O-N 3.35Å; H182-S185 WeakPolarHBondContact O-CB 3.4Å; H182-S185 PolarHBondContact O-N 2.7Å; H182-S185 VanDerWaalsContact O-N 3.17Å; H182-L186 WeakPolarHBondContact O-CG 3.41Å; H182-L186 PolarHBondContact O-N 3.35Å; H182-L186 VanDerWaalsContact O-N 3.14Å
183F97.3Very high95.9Very high2 Ų234.4 Ų34.41%0.00917%0.17CC..Hα-helixtrans-56-45.1175.3-176.6-79.7000111F6 L153 A179 L180 W181 S185 L186 F187 F190 C224 L459F6-F183 HydrophobicContact CD2-CZ 4.47Å; F6-F183 AromaticContact CE2-CE2 3.67Å; F6-F183 HydrophobicContact CE2-CE2 3.67Å; F6-F183 AromaticContact CE2-CZ 3.86Å; F6-F183 HydrophobicContact CE2-CZ 3.86Å; F6-F183 HydrophobicContact CZ-CE2 4.28Å; L153-F183 HydrophobicContact CD1-CD2 4.05Å; L153-F183 HydrophobicContact CD1-CE2 3.73Å; A179-F183 WeakPolarHBondContact O-CB 3.44Å; A179-F183 PolarHBondContact O-N 2.75Å; L180-F183 WeakPolarHBondContact O-CB 3.41Å; L180-F183 PolarHBondContact O-N 2.55Å; W181-F183 VanDerWaalsContact C-N 3.3Å; W181-F183 PolarHBondContact O-N 3.35Å; F183-S185 VanDerWaalsContact C-N 3.34Å; F183-S185 PolarHBondContact O-N 2.89Å; F183-L186 PolarHBondContact O-N 2.83Å; F183-F187 HydrophobicContact CD1-CB 4.42Å; F183-F187 AromaticContact CD1-CD2 3.97Å; F183-F187 HydrophobicContact CD1-CD2 3.97Å; F183-F187 AromaticContact CD2-CD2 3.57Å; F183-F187 HydrophobicContact CD2-CD2 3.57Å; F183-F187 AromaticContact CD2-CE2 3.78Å; F183-F187 HydrophobicContact CD2-CE2 3.78Å; F183-F187 HydrophobicContact CE1-CB 4.04Å; F183-F187 AromaticContact CE1-CD2 3.92Å; F183-F187 HydrophobicContact CE1-CD2 3.92Å; F183-F187 HydrophobicContact CE1-CG 4.37Å; F183-F187 AromaticContact CE2-CD2 3.54Å; F183-F187 HydrophobicContact CE2-CD2 3.54Å; F183-F187 AromaticContact CE2-CE2 3.81Å; F183-F187 HydrophobicContact CE2-CE2 3.81Å; F183-F187 HydrophobicContact CE2-CG 4.46Å; F183-F187 AromaticContact CG-CD2 3.79Å; F183-F187 HydrophobicContact CG-CD2 3.79Å; F183-F187 HydrophobicContact CG-CE2 4.36Å; F183-F187 HydrophobicContact CZ-CB 4.34Å; F183-F187 AromaticContact CZ-CD2 3.71Å; F183-F187 HydrophobicContact CZ-CD2 3.71Å; F183-F187 HydrophobicContact CZ-CE2 4.4Å; F183-F187 HydrophobicContact CZ-CG 4.25Å; F183-F187 WeakPolarHBondContact O-CD2 3.2Å; F183-F187 PolarHBondContact O-N 2.76Å; F183-F190 AromaticContact CD1-CE1 3.76Å; F183-F190 HydrophobicContact CD1-CE1 3.76Å; F183-F190 HydrophobicContact CD1-CZ 4.37Å; F183-F190 HydrophobicContact CE1-CE1 4.12Å; F183-C224 HydrophobicContact CE1-CB 3.95Å; F183-L459 HydrophobicContact CD1-CD2 4.27Å; F183-L459 HydrophobicContact CE1-CD2 3.8Å; F183-L459 HydrophobicContact CZ-CD1 4.36Å; F183-L459 HydrophobicContact CZ-CD2 4.02Å
184Q95.5Very high95.8Very high26 Ų2636.4 Ų36.412%0.12118%0.181CC..Hα-helixtrans-64.8-38.3177.9-71.7177.496.400113L180 W181 H182 L186 G188 F190 S218L180-Q184 WeakPolarHBondContact O-CG 3.44Å; L180-Q184 PolarHBondContact O-N 3.19Å; W181-Q184 WeakPolarHBondContact O-CB 3.46Å; W181-Q184 PolarHBondContact O-N 2.81Å; W181-Q184 VanDerWaalsContact O-N 3.14Å; H182-Q184 VanDerWaalsContact C-N 3.28Å; H182-Q184 PolarHBondContact O-N 3.35Å; Q184-L186 PolarHBondContact O-N 3.01Å; Q184-G188 WeakPolarHBondContact CA-O 3.48Å; Q184-G188 CarbonylContact O-C 3.59Å; Q184-G188 VanDerWaalsContact O-CA 3.22Å; Q184-G188 WeakPolarHBondContact O-CA 3.36Å; Q184-G188 PolarHBondContact O-N 3.32Å; Q184-F190 HydrophobicContact CG-CD1 3.5Å; Q184-F190 HydrophobicContact CG-CD2 4.13Å; Q184-F190 HydrophobicContact CG-CE1 3.62Å; Q184-F190 HydrophobicContact CG-CE2 4.22Å; Q184-F190 HydrophobicContact CG-CG 3.79Å; Q184-F190 HydrophobicContact CG-CZ 3.98Å; Q184-S218 VanDerWaalsContact O-CB 3.25Å; Q184-S218 WeakPolarHBondContact O-CB 3.36Å; Q184-S218 PolarHBondContact O-OG 3.42Å
185S94.2Very high95.7Very high43 Ų4336.8 Ų36.830%0.30118%0.181SC..Hα-helixtrans-62.2-30.7176.4-64.90000112.8W181 H182 F183W181-S185 PolarHBondContact O-N 3.43Å; W181-S185 VanDerWaalsContact O-N 3.08Å; W181-S185 PolarHBondContact O-OG 3.4Å; H182-S185 WeakPolarHBondContact O-CB 3.4Å; H182-S185 PolarHBondContact O-N 2.7Å; H182-S185 VanDerWaalsContact O-N 3.17Å; F183-S185 VanDerWaalsContact C-N 3.34Å; F183-S185 PolarHBondContact O-N 2.89Å
186L94.6Very high95.5Very high55 Ų5538.6 Ų38.629%0.28819%0.193SC..Hα-helixtrans-90.5-40.3-179.2-64.5172.1000113.5I10 L11 I14 H182 F183 Q184 L220I10-L186 HydrophobicContact CG2-CD2 4.27Å; L11-L186 HydrophobicContact CD2-CD1 3.56Å; L11-L186 HydrophobicContact CG-CD1 4.4Å; I14-L186 HydrophobicContact CD1-CD1 3.6Å; I14-L186 HydrophobicContact CD1-CD2 3.57Å; I14-L186 HydrophobicContact CD1-CG 4.22Å; H182-L186 WeakPolarHBondContact O-CG 3.41Å; H182-L186 PolarHBondContact O-N 3.35Å; H182-L186 VanDerWaalsContact O-N 3.14Å; F183-L186 PolarHBondContact O-N 2.83Å; Q184-L186 PolarHBondContact O-N 3.01Å; L186-L220 WeakPolarHBondContact O-CD1 3.39Å
187F95.3Very high95.2Very high8 Ų840.9 Ų40.94%0.03521%0.206CC..Hα-helixtrans-110.8-10.5-170-57-65.7000113.7R4 F6 D7 L11 F183 C224R4-F187 VanDerWaalsContact CD-O 3.26Å; R4-F187 WeakPolarHBondContact CD-O 3.39Å; R4-F187 PolarHBondContact NH1-O 3.24Å; F6-F187 AromaticContact CD2-CD1 3.73Å; F6-F187 HydrophobicContact CD2-CD1 3.73Å; F6-F187 HydrophobicContact CD2-CD2 4.36Å; F6-F187 AromaticContact CD2-CE1 3.74Å; F6-F187 HydrophobicContact CD2-CE1 3.74Å; F6-F187 HydrophobicContact CD2-CE2 4.37Å; F6-F187 HydrophobicContact CD2-CG 4.05Å; F6-F187 HydrophobicContact CD2-CZ 4.06Å; F6-F187 HydrophobicContact CE2-CD1 4.19Å; F6-F187 HydrophobicContact CE2-CD2 4.09Å; F6-F187 AromaticContact CE2-CE1 3.96Å; F6-F187 HydrophobicContact CE2-CE1 3.96Å; F6-F187 AromaticContact CE2-CE2 3.85Å; F6-F187 HydrophobicContact CE2-CE2 3.85Å; F6-F187 HydrophobicContact CE2-CG 4.25Å; F6-F187 AromaticContact CE2-CZ 3.78Å; F6-F187 HydrophobicContact CE2-CZ 3.78Å; D7-F187 WeakPolarHBondContact O-CE1 3.36Å; L11-F187 HydrophobicContact CD1-CE2 3.99Å; L11-F187 HydrophobicContact CD1-CZ 4.25Å; L11-F187 HydrophobicContact CD2-CE2 4.19Å; L11-F187 HydrophobicContact CG-CE2 4.03Å; L11-F187 HydrophobicContact CG-CZ 4.14Å; F183-F187 HydrophobicContact CD1-CB 4.42Å; F183-F187 AromaticContact CD1-CD2 3.97Å; F183-F187 HydrophobicContact CD1-CD2 3.97Å; F183-F187 AromaticContact CD2-CD2 3.57Å; F183-F187 HydrophobicContact CD2-CD2 3.57Å; F183-F187 AromaticContact CD2-CE2 3.78Å; F183-F187 HydrophobicContact CD2-CE2 3.78Å; F183-F187 HydrophobicContact CE1-CB 4.04Å; F183-F187 AromaticContact CE1-CD2 3.92Å; F183-F187 HydrophobicContact CE1-CD2 3.92Å; F183-F187 HydrophobicContact CE1-CG 4.37Å; F183-F187 AromaticContact CE2-CD2 3.54Å; F183-F187 HydrophobicContact CE2-CD2 3.54Å; F183-F187 AromaticContact CE2-CE2 3.81Å; F183-F187 HydrophobicContact CE2-CE2 3.81Å; F183-F187 HydrophobicContact CE2-CG 4.46Å; F183-F187 AromaticContact CG-CD2 3.79Å; F183-F187 HydrophobicContact CG-CD2 3.79Å; F183-F187 HydrophobicContact CG-CE2 4.36Å; F183-F187 HydrophobicContact CZ-CB 4.34Å; F183-F187 AromaticContact CZ-CD2 3.71Å; F183-F187 HydrophobicContact CZ-CD2 3.71Å; F183-F187 HydrophobicContact CZ-CE2 4.4Å; F183-F187 HydrophobicContact CZ-CG 4.25Å; F183-F187 WeakPolarHBondContact O-CD2 3.2Å; F183-F187 PolarHBondContact O-N 2.76Å; F187-C224 HydrophobicContact CB-CB 3.76Å; F187-C224 VanDerWaalsContact O-CA 3.27Å; F187-C224 WeakPolarHBondContact O-CA 3.24Å; F187-C224 VanDerWaalsContact O-CB 3.32Å; F187-C224 WeakPolarHBondContact O-CB 3.31Å
188G94.8Very high94.9Very high0 Ų042.1 Ų42.10%022%0.218CC..  trans116.6158.7-177.900000112.9Q184 D222 C224Q184-G188 WeakPolarHBondContact CA-O 3.48Å; Q184-G188 CarbonylContact O-C 3.59Å; Q184-G188 VanDerWaalsContact O-CA 3.22Å; Q184-G188 WeakPolarHBondContact O-CA 3.36Å; Q184-G188 PolarHBondContact O-N 3.32Å; G188-D222 WeakPolarHBondContact CA-O 3.42Å; G188-C224 WeakPolarHBondContact O-CB 3.24Å
189P95.4Very high94.7Very high37 Ų3748 Ų4824%0.2424%0.243CC..PPolyproline II helixtrans-57.4156.2177.826.2-36.1000111.6L220 D222 A223 C224P189-L220 WeakPolarHBondContact CD-O 3.28Å; P189-D222 WeakPolarHBondContact CD-O 3.38Å; P189-A223 WeakPolarHBondContact O-CA 2.86Å; P189-A223 WeakPolarHBondContact O-CB 2.79Å; P189-C224 PolarHBondContact O-N 3.29Å
190F95.4Very high94.6Very high24 Ų2448.1 Ų48.111%0.10524%0.244CC..PPolyproline II helixtrans-67144167.2-69.9-17.4000110.6L180 F183 Q184 L194 I208 C224 V228 L459L180-F190 HydrophobicContact CB-CE2 4.2Å; L180-F190 HydrophobicContact CB-CZ 4.13Å; L180-F190 HydrophobicContact CD2-CE2 4.48Å; L180-F190 HydrophobicContact CD2-CZ 3.94Å; F183-F190 AromaticContact CD1-CE1 3.76Å; F183-F190 HydrophobicContact CD1-CE1 3.76Å; F183-F190 HydrophobicContact CD1-CZ 4.37Å; F183-F190 HydrophobicContact CE1-CE1 4.12Å; Q184-F190 HydrophobicContact CG-CD1 3.5Å; Q184-F190 HydrophobicContact CG-CD2 4.13Å; Q184-F190 HydrophobicContact CG-CE1 3.62Å; Q184-F190 HydrophobicContact CG-CE2 4.22Å; Q184-F190 HydrophobicContact CG-CG 3.79Å; Q184-F190 HydrophobicContact CG-CZ 3.98Å; F190-L194 HydrophobicContact CB-CD1 4.23Å; F190-L194 HydrophobicContact CD2-CD1 3.7Å; F190-L194 HydrophobicContact CG-CD1 4.37Å; F190-I208 HydrophobicContact CE2-CD1 4.18Å; F190-C224 VanDerWaalsContact CD1-SG 3.55Å; F190-V228 HydrophobicContact CB-CG2 4.11Å; F190-V228 HydrophobicContact CD1-CG2 3.72Å; F190-V228 HydrophobicContact CD2-CG1 4.37Å; F190-V228 HydrophobicContact CD2-CG2 4.34Å; F190-V228 HydrophobicContact CE1-CG2 4.16Å; F190-V228 HydrophobicContact CE2-CG1 4.32Å; F190-V228 HydrophobicContact CG-CG2 3.81Å; F190-L459 HydrophobicContact CE1-CD2 3.67Å; F190-L459 HydrophobicContact CZ-CD2 3.94Å
191P93.5Very high94.5Very high16 Ų1648.1 Ų48.110%0.10424%0.244CC..PPolyproline II helixtrans-70.5163.617533.4-36.3000110.4Q193 A223 C225 T226 V228P191-Q193 PolarHBondContact O-N 3.13Å; P191-Q193 VanDerWaalsContact O-N 3.15Å; P191-A223 HydrophobicContact CB-CB 4.19Å; P191-C225 WeakPolarHBondContact CG-O 3.14Å; P191-T226 WeakPolarHBondContact CG-O 3.24Å; P191-V228 HydrophobicContact CG-CG2 4.24Å
192E91.6Very high94.4Very high184 Ų18449.5 Ų49.586%0.8626%0.257SS*.SBendtrans-58.4-25.4171.6-64.9178.4173.800112.7L194E192-L194 PolarHBondContact O-N 2.97Å
193Q92.9Very high94.5Very high84 Ų8449.7 Ų49.739%0.39326%0.261SS..  trans-79.460.8175.9-68.272.349.900111.3P191 F195 H227 V228P191-Q193 PolarHBondContact O-N 3.13Å; P191-Q193 VanDerWaalsContact O-N 3.15Å; Q193-F195 HydrophobicContact CB-CE2 4.02Å; Q193-F195 HydrophobicContact CB-CZ 4.45Å; Q193-H227 HydrophobicContact CB-CB 4.47Å; Q193-H227 WeakPolarHBondContact O-CA 3.04Å; Q193-V228 PolarHBondContact O-N 3.39Å
194L94.3Very high94.6Very high56 Ų5649.6 Ų49.629%0.29326%0.261SS..EExtended strand (participates in β ladder)trans-101.4125.6172.4-174.9151.8000109.7F190 E192 C196 A205 V228F190-L194 HydrophobicContact CB-CD1 4.23Å; F190-L194 HydrophobicContact CD2-CD1 3.7Å; F190-L194 HydrophobicContact CG-CD1 4.37Å; E192-L194 PolarHBondContact O-N 2.97Å; L194-C196 VanDerWaalsContact CD2-SG 3.55Å; L194-A205 HydrophobicContact CD2-CB 4.18Å; L194-V228 CarbonylContact C-O 3.59Å; L194-V228 WeakPolarHBondContact CA-O 3.43Å; L194-V228 HydrophobicContact CB-CB 4.4Å; L194-V228 HydrophobicContact CD1-CB 4.37Å; L194-V228 HydrophobicContact CD1-CG1 4.21Å; L194-V228 HydrophobicContact CG-CB 4.18Å; L194-V228 HydrophobicContact CG-CG1 4.21Å
195F92.4Very high94.6Very high89 Ų8948.8 Ų48.839%0.3926%0.259SS..EExtended strand (participates in β ladder)trans-119.3134.8179.9-56.2-86.3000110Q193 V228 I229 L230Q193-F195 HydrophobicContact CB-CE2 4.02Å; Q193-F195 HydrophobicContact CB-CZ 4.45Å; F195-V228 PolarHBondContact N-O 2.95Å; F195-I229 HydrophobicContact CD2-CG1 4.33Å; F195-I229 CarbonylContact O-C 3.11Å; F195-I229 WeakPolarHBondContact O-CA 3.35Å; F195-L230 PolarHBondContact O-N 2.85Å
196C94.5Very high94.8Very high41 Ų4151.1 Ų51.128%0.27727%0.268SS..EExtended strand (participates in β ladder)trans-112.5129174.2-63.70000109.9L194 A201L194-C196 VanDerWaalsContact CD2-SG 3.55Å; C196-A201 HydrophobicContact CB-CB 3.97Å; C196-A201 PolarHBondContact SG-O 3.21Å; C196-A201 VanDerWaalsContact SG-O 3.38Å
197L91.6Very high95Very high50 Ų5051.2 Ų51.226%0.26227%0.268SS..EExtended strand (participates in β ladder)trans-119.6100.8174.8-64.9171.3000107I229 L230 F231 D232 V235L197-I229 HydrophobicContact CD1-CG2 4.06Å; L197-L230 PolarHBondContact N-O 3.25Å; L197-F231 HydrophobicContact CB-CD2 3.96Å; L197-F231 HydrophobicContact CD1-CD2 3.68Å; L197-F231 HydrophobicContact CD1-CE2 4.17Å; L197-F231 HydrophobicContact CG-CD2 4.47Å; L197-D232 PolarHBondContact O-N 2.95Å; L197-V235 HydrophobicContact CB-CG2 4.45Å
198G91.9Very high95.1Very high26 Ų2651.3 Ų51.327%0.26827%0.269SS..SBendtrans114.8165.8-177.700000114.3T202 D232G198-T202 PolarHBondContact O-N 3.43Å; G198-T202 PolarHBondContact O-OG1 2.7Å; G198-D232 WeakPolarHBondContact CA-OD2 3.36Å
199K94Very high95.2Very high173 Ų17357.2 Ų57.275%0.75230%0.297SS*.Hα-helixtrans-71.8-47.8-175.4-65.4177.2-174.9169.50111.5T202 V203 D232K199-T202 WeakPolarHBondContact O-CB 3.18Å; K199-T202 PolarHBondContact O-N 3Å; K199-V203 WeakPolarHBondContact O-CG2 3.46Å; K199-V203 PolarHBondContact O-N 2.87Å; K199-D232 PolarHBondContact N-OD2 2.94Å
200S95.9Very high95.3Very high3 Ų357.7 Ų57.72%0.02130%0.304CS..Hα-helixtrans-62.9-44.5179.1175.70000110.6Y160 F173 T202 V203 V204 D232Y160-S200 PolarHBondContact OH-OG 3.47Å; F173-S200 WeakPolarHBondContact CE1-OG 3.14Å; F173-S200 WeakPolarHBondContact CZ-OG 3.43Å; S200-T202 PolarHBondContact O-N 3.04Å; S200-V203 PolarHBondContact O-N 2.86Å; S200-V203 VanDerWaalsContact O-N 3.08Å; S200-V204 WeakPolarHBondContact O-CB 2.84Å; S200-V204 WeakPolarHBondContact O-CG2 3Å; S200-V204 PolarHBondContact O-N 3.21Å; S200-D232 WeakPolarHBondContact CA-OD2 3.46Å; S200-D232 WeakPolarHBondContact CB-OD1 3.31Å; S200-D232 WeakPolarHBondContact CB-OD2 3.37Å; S200-D232 PolarHBondContact N-OD2 3.28Å
201A95Very high95.4Very high0 Ų057.2 Ų57.20%030%0.302CS..Hα-helixtrans-51.7-42.4173.800000112.7C196 A205 L230 D232 L463C196-A201 HydrophobicContact CB-CB 3.97Å; C196-A201 PolarHBondContact SG-O 3.21Å; C196-A201 VanDerWaalsContact SG-O 3.38Å; A201-A205 WeakPolarHBondContact O-CB 3.26Å; A201-A205 PolarHBondContact O-N 3.15Å; A201-L230 HydrophobicContact CB-CB 3.71Å; A201-L230 WeakPolarHBondContact O-CD1 3.36Å; A201-D232 WeakPolarHBondContact CB-OD1 3.47Å; A201-D232 PolarHBondContact N-OD1 2.88Å; A201-D232 PolarHBondContact N-OD2 3.41Å; A201-L463 HydrophobicContact CB-CD1 4.15Å
202T96.9Very high95.6Very high65 Ų6556.4 Ų56.440%0.39930%0.298SS..Hα-helixtrans-68.6-45.5177.8-550000111.6G198 K199 S200 A205 N206G198-T202 PolarHBondContact O-N 3.43Å; G198-T202 PolarHBondContact O-OG1 2.7Å; K199-T202 WeakPolarHBondContact O-CB 3.18Å; K199-T202 PolarHBondContact O-N 3Å; S200-T202 PolarHBondContact O-N 3.04Å; T202-A205 PolarHBondContact O-N 3.49Å; T202-N206 PolarHBondContact O-N 3.32Å; T202-N206 VanDerWaalsContact O-N 3.13Å; T202-N206 PolarHBondContact O-ND2 3.25Å
203V97.7Very high95.8Very high61 Ų6154.3 Ų54.337%0.3729%0.291SS..Hα-helixtrans-64.4-43.1178.3177.60000111.3F173 K199 S200 A205 N206 L207F173-V203 HydrophobicContact CD2-CB 4.04Å; F173-V203 HydrophobicContact CD2-CG1 3.51Å; F173-V203 HydrophobicContact CE2-CB 4.08Å; F173-V203 HydrophobicContact CE2-CG1 3.95Å; F173-V203 HydrophobicContact CE2-CG2 4.41Å; F173-V203 HydrophobicContact CG-CG1 4.49Å; K199-V203 WeakPolarHBondContact O-CG2 3.46Å; K199-V203 PolarHBondContact O-N 2.87Å; S200-V203 PolarHBondContact O-N 2.86Å; S200-V203 VanDerWaalsContact O-N 3.08Å; V203-A205 PolarHBondContact O-N 3.35Å; V203-N206 PolarHBondContact O-N 2.96Å; V203-L207 HydrophobicContact CG1-CD1 4.08Å; V203-L207 HydrophobicContact CG1-CG 4.36Å; V203-L207 WeakPolarHBondContact O-CG 3.41Å; V203-L207 PolarHBondContact O-N 3.42Å
204V98.4Very high96Very high0 Ų057.6 Ų57.60%031%0.307CS..Hα-helixtrans-60.9-43.6176.4167.70000110.9F173 V176 A177 L180 S200 N206 L207 I208 L230 L463F173-V204 HydrophobicContact CB-CG2 4.23Å; F173-V204 HydrophobicContact CD1-CG2 4.45Å; F173-V204 HydrophobicContact CG-CG2 4.37Å; V176-V204 HydrophobicContact CB-CG1 4.34Å; V176-V204 HydrophobicContact CB-CG2 4.34Å; V176-V204 HydrophobicContact CG1-CG1 3.72Å; V176-V204 HydrophobicContact CG1-CG2 4.3Å; A177-V204 HydrophobicContact CB-CG1 4.36Å; L180-V204 HydrophobicContact CD1-CG1 3.88Å; S200-V204 WeakPolarHBondContact O-CB 2.84Å; S200-V204 WeakPolarHBondContact O-CG2 3Å; S200-V204 PolarHBondContact O-N 3.21Å; V204-N206 PolarHBondContact O-N 3.09Å; V204-L207 PolarHBondContact O-N 3.46Å; V204-I208 HydrophobicContact CG1-CD1 4.03Å; V204-I208 VanDerWaalsContact O-CG1 3.25Å; V204-I208 WeakPolarHBondContact O-CG1 3.5Å; V204-I208 PolarHBondContact O-N 2.68Å; V204-L230 HydrophobicContact CG1-CD1 4.41Å; V204-L463 HydrophobicContact CB-CD1 4.26Å; V204-L463 HydrophobicContact CG2-CD1 4.03Å
205A96.8Very high96.1Very high10 Ų1059.5 Ų59.58%0.08332%0.317CS..Hα-helixtrans-57.5-47.917500000112.1L194 A201 T202 V203 L207 I208 E209 L230L194-A205 HydrophobicContact CD2-CB 4.18Å; A201-A205 WeakPolarHBondContact O-CB 3.26Å; A201-A205 PolarHBondContact O-N 3.15Å; T202-A205 PolarHBondContact O-N 3.49Å; V203-A205 PolarHBondContact O-N 3.35Å; A205-L207 VanDerWaalsContact C-N 3.32Å; A205-L207 PolarHBondContact O-N 3.1Å; A205-I208 WeakPolarHBondContact O-CB 3.24Å; A205-I208 PolarHBondContact O-N 2.53Å; A205-E209 PolarHBondContact O-N 3.08Å; A205-L230 HydrophobicContact CB-CD1 4.01Å
206N97.9Very high96.3Very high91 Ų9156.8 Ų56.849%0.48731%0.314SS..Hα-helixtrans-63-38177.4-64.7-19.9000112.2T202 V203 V204 I208 E209 A210T202-N206 PolarHBondContact O-N 3.32Å; T202-N206 VanDerWaalsContact O-N 3.13Å; T202-N206 PolarHBondContact O-ND2 3.25Å; V203-N206 PolarHBondContact O-N 2.96Å; V204-N206 PolarHBondContact O-N 3.09Å; N206-I208 VanDerWaalsContact C-N 3.33Å; N206-E209 PolarHBondContact O-N 3.32Å; N206-A210 PolarHBondContact O-N 3.31Å
207L98.4Very high96.3Very high57 Ų5761 Ų6130%0.29833%0.328SS..Hα-helixtrans-67.1-33.7176.5-74.3174.1000112.5F173 A177 V203 V204 A205 E209 A210 L211F173-L207 HydrophobicContact CB-CD1 3.71Å; A177-L207 HydrophobicContact CB-CB 3.57Å; A177-L207 HydrophobicContact CB-CD1 4.47Å; V203-L207 HydrophobicContact CG1-CD1 4.08Å; V203-L207 HydrophobicContact CG1-CG 4.36Å; V203-L207 WeakPolarHBondContact O-CG 3.41Å; V203-L207 PolarHBondContact O-N 3.42Å; V204-L207 PolarHBondContact O-N 3.46Å; A205-L207 VanDerWaalsContact C-N 3.32Å; A205-L207 PolarHBondContact O-N 3.1Å; L207-E209 VanDerWaalsContact C-N 3.34Å; L207-A210 PolarHBondContact O-N 3.45Å; L207-L211 WeakPolarHBondContact O-CB 3.34Å; L207-L211 VanDerWaalsContact O-CG 3.23Å; L207-L211 WeakPolarHBondContact O-CG 3.49Å; L207-L211 PolarHBondContact O-N 2.58Å
208I97.6Very high96.3Very high10 Ų1059.6 Ų59.65%0.05132%0.323CS..Hα-helixtrans-62.4-44.2174.1-68.8162.4000110.4A177 L180 F190 V204 A205 N206 L211 G212A177-I208 HydrophobicContact CB-CG1 3.92Å; L180-I208 HydrophobicContact CB-CD1 3.54Å; L180-I208 HydrophobicContact CB-CG1 4.05Å; L180-I208 HydrophobicContact CD1-CD1 3.62Å; L180-I208 HydrophobicContact CG-CD1 4.23Å; F190-I208 HydrophobicContact CE2-CD1 4.18Å; V204-I208 HydrophobicContact CG1-CD1 4.03Å; V204-I208 VanDerWaalsContact O-CG1 3.25Å; V204-I208 WeakPolarHBondContact O-CG1 3.5Å; V204-I208 PolarHBondContact O-N 2.68Å; A205-I208 WeakPolarHBondContact O-CB 3.24Å; A205-I208 PolarHBondContact O-N 2.53Å; N206-I208 VanDerWaalsContact C-N 3.33Å; I208-L211 PolarHBondContact O-N 3.06Å; I208-G212 PolarHBondContact O-N 3.47Å
209E96.3Very high96.4Very high124 Ų12470.1 Ų70.158%0.57935%0.354SS*.Hα-helixtrans-63.5-45.1175.5-67.1-176176.400111.6A205 N206 L207 L211 G212 L213A205-E209 PolarHBondContact O-N 3.08Å; N206-E209 PolarHBondContact O-N 3.32Å; L207-E209 VanDerWaalsContact C-N 3.34Å; E209-L211 VanDerWaalsContact C-N 3.32Å; E209-L211 PolarHBondContact O-N 3.42Å; E209-G212 WeakPolarHBondContact O-CA 3.3Å; E209-G212 PolarHBondContact O-N 3.35Å; E209-L213 PolarHBondContact O-N 3.24Å
210A98Very high96.3Very high48 Ų4864.8 Ų64.840%0.39733%0.334SS..Hα-helixtrans-59.6-41.5176.600000112.2N206 L207 G212 L213 Q214N206-A210 PolarHBondContact O-N 3.31Å; L207-A210 PolarHBondContact O-N 3.45Å; A210-G212 VanDerWaalsContact C-N 3.32Å; A210-G212 PolarHBondContact O-N 2.95Å; A210-L213 PolarHBondContact O-N 3.04Å; A210-Q214 WeakPolarHBondContact O-CB 3.44Å; A210-Q214 PolarHBondContact O-N 2.94Å
211L97.8Very high96Very high13 Ų1370.6 Ų70.67%0.06837%0.369CS..Hα-helixtrans-63.7-38.1173.3-73.5168.1000111.8A177 Q178 W181 L207 I208 E209 Q214 L215A177-L211 HydrophobicContact CB-CD1 3.86Å; Q178-L211 HydrophobicContact CB-CD1 4.4Å; Q178-L211 HydrophobicContact CG-CD1 3.8Å; Q178-L211 HydrophobicContact CG-CD2 4.28Å; W181-L211 HydrophobicContact CB-CB 4.39Å; W181-L211 HydrophobicContact CB-CD1 4.21Å; W181-L211 HydrophobicContact CG-CB 4.06Å; L207-L211 WeakPolarHBondContact O-CB 3.34Å; L207-L211 VanDerWaalsContact O-CG 3.23Å; L207-L211 WeakPolarHBondContact O-CG 3.49Å; L207-L211 PolarHBondContact O-N 2.58Å; I208-L211 PolarHBondContact O-N 3.06Å; E209-L211 VanDerWaalsContact C-N 3.32Å; E209-L211 PolarHBondContact O-N 3.42Å; L211-Q214 PolarHBondContact O-N 3.01Å; L211-L215 HydrophobicContact CD2-CD1 4.04Å; L211-L215 WeakPolarHBondContact O-CB 3.34Å; L211-L215 PolarHBondContact O-N 3.32Å
212G96.8Very high95.8Very high0 Ų074.9 Ų74.90%039%0.392CS..Hα-helixtrans-62.2-41174.100000113.1I208 E209 A210 G216 F217I208-G212 PolarHBondContact O-N 3.47Å; E209-G212 WeakPolarHBondContact O-CA 3.3Å; E209-G212 PolarHBondContact O-N 3.35Å; A210-G212 VanDerWaalsContact C-N 3.32Å; A210-G212 PolarHBondContact O-N 2.95Å; G212-G216 CarbonylContact O-C 3.58Å; G212-G216 WeakPolarHBondContact O-CA 3.48Å; G212-G216 PolarHBondContact O-N 3.5Å; G212-F217 PolarHBondContact O-N 3.47Å
213L97.6Very high95.6Very high140 Ų14073.7 Ų73.773%0.73339%0.388SS*.Hα-helixtrans-66.3-37.2174.5-67.6172.3000112.4E209 A210 F217E209-L213 PolarHBondContact O-N 3.24Å; A210-L213 PolarHBondContact O-N 3.04Å; L213-F217 HydrophobicContact CD2-CE2 4.04Å; L213-F217 HydrophobicContact CD2-CZ 3.91Å; L213-F217 HydrophobicContact CG-CZ 4.09Å
214Q97.2Very high95.3Very high153 Ų15371 Ų7172%0.71537%0.372SS*.Hα-helixtrans-80.9-44.1-176.6-176-177.9-7.400113.4A210 L211A210-Q214 WeakPolarHBondContact O-CB 3.44Å; A210-Q214 PolarHBondContact O-N 2.94Å; L211-Q214 PolarHBondContact O-N 3.01Å
215L95.8Very high95.1Very high95 Ų9571.4 Ų71.450%0.49738%0.375SS..Hα-helixtrans-107.9-8.3-170.1-58177.7000113.1W181 L211W181-L215 HydrophobicContact CH2-CB 3.93Å; W181-L215 HydrophobicContact CH2-CD1 4.08Å; W181-L215 HydrophobicContact CZ2-CB 3.5Å; W181-L215 HydrophobicContact CZ2-CD1 4.23Å; W181-L215 HydrophobicContact CZ3-CD1 4.25Å; L211-L215 HydrophobicContact CD2-CD1 4.04Å; L211-L215 WeakPolarHBondContact O-CB 3.34Å; L211-L215 PolarHBondContact O-N 3.32Å
216G96Very high95Very high33 Ų3372.6 Ų72.634%0.3438%0.381SS..  trans97.3149.6-173.500000112.7W181 G212W181-G216 WeakPolarHBondContact CZ2-O 3.43Å; W181-G216 PolarHBondContact NE1-O 2.87Å; G212-G216 CarbonylContact O-C 3.58Å; G212-G216 WeakPolarHBondContact O-CA 3.48Å; G212-G216 PolarHBondContact O-N 3.5Å
217F94.5Very high94.8Very high128 Ų12870 Ų7056%0.56137%0.366SS*.  trans-83.1168.3173.7-62.4-78.7000111.6G212 L213 R219G212-F217 PolarHBondContact O-N 3.47Å; L213-F217 HydrophobicContact CD2-CE2 4.04Å; L213-F217 HydrophobicContact CD2-CZ 3.91Å; L213-F217 HydrophobicContact CG-CZ 4.09Å; F217-R219 PolarHBondContact O-N 3.46Å
218S92.5Very high94.7Very high22 Ų2267.3 Ų67.315%0.15435%0.352CS..  trans-54.1134.4174.1-171.80000111Q184 L220Q184-S218 VanDerWaalsContact O-CB 3.25Å; Q184-S218 WeakPolarHBondContact O-CB 3.36Å; Q184-S218 PolarHBondContact O-OG 3.42Å; S218-L220 PolarHBondContact O-N 2.97Å; S218-L220 PolarHBondContact OG-N 2.87Å
219R93.3Very high94.5Very high246 Ų24668.5 Ų68.593%0.92836%0.358SS*.SBendtrans-75.1-10.9174.3-63.7-177.4-177.8174.30.9112.6F217F217-R219 PolarHBondContact O-N 3.46Å
220L92.8Very high94.5Very high62 Ų6262.6 Ų62.633%0.32533%0.331SS..  trans-83.2138.2179.2-60.6171.8000109.6L186 P189 S218L186-L220 WeakPolarHBondContact O-CD1 3.39Å; P189-L220 WeakPolarHBondContact CD-O 3.28Å; S218-L220 PolarHBondContact O-N 2.97Å; S218-L220 PolarHBondContact OG-N 2.87Å
221T88.8Confident94.2Very high124 Ų12461.7 Ų61.776%0.76132%0.318SS*.  trans-88.7-40.3-17751.40000112.9
222D90.8Very high94.1Very high91 Ų9161.1 Ų61.149%0.48732%0.315SS..SBendtrans-76138.4178.3-39.6-61.5000111.4R4 G188 P189R4-D222 IonicContact CZ-OD2 2.79Å; R4-D222 PolarHBondContact NH1-O 2.75Å; R4-D222 VanDerWaalsContact NH2-CB 3.32Å; R4-D222 PolarHBondContact NH2-O 2.74Å; R4-D222 IonicContact NH2-OD2 2.86Å; R4-D222 PolarHBondContact NH2-OD2 2.98Å; G188-D222 WeakPolarHBondContact CA-O 3.42Å; P189-D222 WeakPolarHBondContact CD-O 3.38Å
223A92.2Very high94Very high39 Ų3961.1 Ų61.132%0.32232%0.315SS..  trans-62.4147.5175.700000112.3P189 P191 C225P189-A223 WeakPolarHBondContact O-CA 2.86Å; P189-A223 WeakPolarHBondContact O-CB 2.79Å; P191-A223 HydrophobicContact CB-CB 4.19Å; A223-C225 VanDerWaalsContact C-N 3.25Å; A223-C225 WeakPolarHBondContact CB-O 3.15Å; A223-C225 PolarHBondContact O-N 2.85Å
224C92.5Very high93.7Very high4 Ų457.2 Ų57.23%0.02730%0.295CS..SBendtrans-68.3-25.5179.762.50000113.6F183 F187 G188 P189 F190 R486F183-C224 HydrophobicContact CE1-CB 3.95Å; F187-C224 HydrophobicContact CB-CB 3.76Å; F187-C224 VanDerWaalsContact O-CA 3.27Å; F187-C224 WeakPolarHBondContact O-CA 3.24Å; F187-C224 VanDerWaalsContact O-CB 3.32Å; F187-C224 WeakPolarHBondContact O-CB 3.31Å; G188-C224 WeakPolarHBondContact O-CB 3.24Å; P189-C224 PolarHBondContact O-N 3.29Å; F190-C224 VanDerWaalsContact CD1-SG 3.55Å; C224-R486 PolarHBondContact O-NH1 3.29Å
225C93.7Very high93.3Very high9 Ų953 Ų536%0.06128%0.279CS..  trans-155.7175.1-178.959.80000109.7P191 A223 H227 V228 V457P191-C225 WeakPolarHBondContact CG-O 3.14Å; A223-C225 VanDerWaalsContact C-N 3.25Å; A223-C225 WeakPolarHBondContact CB-O 3.15Å; A223-C225 PolarHBondContact O-N 2.85Å; C225-H227 PolarHBondContact SG-O 3Å; C225-V228 WeakPolarHBondContact SG-CG2 3.24Å; C225-V457 HydrophobicContact CB-CB 3.99Å; C225-V457 HydrophobicContact CB-CG1 3.76Å; C225-V457 WeakPolarHBondContact CB-O 3.46Å
226T94Very high92.9Very high35 Ų3551.5 Ų51.522%0.21527%0.272CS..SBendtrans-88.5-27.7179.260.90000113.3P191 V457P191-T226 WeakPolarHBondContact CG-O 3.24Å; T226-V457 WeakPolarHBondContact CA-O 3.5Å; T226-V457 PolarHBondContact N-O 2.7Å; T226-V457 PolarHBondContact OG1-N 2.68Å; T226-V457 PolarHBondContact OG1-O 3.11Å
227H93.9Very high92.5Very high37 Ų3751.5 Ų51.517%0.17127%0.266CS..EExtended strand (participates in β ladder)trans-145.2144.4-180-55.770.6000109.2Q193 C225 V457 F458 L459Q193-H227 HydrophobicContact CB-CB 4.47Å; Q193-H227 WeakPolarHBondContact O-CA 3.04Å; C225-H227 PolarHBondContact SG-O 3Å; H227-V457 PolarHBondContact N-O 3.47Å; H227-V457 VanDerWaalsContact N-O 3.13Å; H227-F458 HydrophobicContact CB-CD1 3.51Å; H227-F458 HydrophobicContact CB-CE1 3.66Å; H227-F458 HydrophobicContact CB-CG 4.36Å; H227-F458 AromaticContact CG-CD1 3.93Å; H227-F458 AromaticContact CG-CE1 3.53Å; H227-F458 AromaticContact ND1-CE1 3.72Å; H227-F458 AromaticContact ND1-CZ 3.9Å; H227-F458 WeakPolarHBondContact O-CA 3.39Å; H227-L459 PolarHBondContact O-N 2.91Å
228V96.2Very high92.2Very high0 Ų045.9 Ų45.90%024%0.243CC..EExtended strand (participates in β ladder)trans-121.7134.9171.8177.10000108.4F190 P191 Q193 L194 F195 C225 L230 L459F190-V228 HydrophobicContact CB-CG2 4.11Å; F190-V228 HydrophobicContact CD1-CG2 3.72Å; F190-V228 HydrophobicContact CD2-CG1 4.37Å; F190-V228 HydrophobicContact CD2-CG2 4.34Å; F190-V228 HydrophobicContact CE1-CG2 4.16Å; F190-V228 HydrophobicContact CE2-CG1 4.32Å; F190-V228 HydrophobicContact CG-CG2 3.81Å; P191-V228 HydrophobicContact CG-CG2 4.24Å; Q193-V228 PolarHBondContact O-N 3.39Å; L194-V228 CarbonylContact C-O 3.59Å; L194-V228 WeakPolarHBondContact CA-O 3.43Å; L194-V228 HydrophobicContact CB-CB 4.4Å; L194-V228 HydrophobicContact CD1-CB 4.37Å; L194-V228 HydrophobicContact CD1-CG1 4.21Å; L194-V228 HydrophobicContact CG-CB 4.18Å; L194-V228 HydrophobicContact CG-CG1 4.21Å; F195-V228 PolarHBondContact N-O 2.95Å; C225-V228 WeakPolarHBondContact SG-CG2 3.24Å; V228-L230 HydrophobicContact CG1-CD2 3.99Å; V228-L230 HydrophobicContact CG1-CG 4.41Å; V228-L459 CarbonylContact C-O 3.55Å; V228-L459 WeakPolarHBondContact CA-O 3.19Å; V228-L459 HydrophobicContact CG2-CB 4.26Å; V228-L459 HydrophobicContact CG2-CD2 4.42Å
229I94Very high92Very high35 Ų3545.6 Ų45.618%0.17924%0.242CC..EExtended strand (participates in β ladder)trans-127.5113.4175.6-53.9175000107.5F195 L197 F458 L459 V460 V461F195-I229 HydrophobicContact CD2-CG1 4.33Å; F195-I229 CarbonylContact O-C 3.11Å; F195-I229 WeakPolarHBondContact O-CA 3.35Å; L197-I229 HydrophobicContact CD1-CG2 4.06Å; I229-F458 HydrophobicContact CD1-CD1 4.48Å; I229-L459 PolarHBondContact N-O 3.29Å; I229-V460 WeakPolarHBondContact O-CA 3.34Å; I229-V461 PolarHBondContact O-N 3.32Å
230L97Very high91.9Very high0 Ų034 Ų340%020%0.199CC..EExtended strand (participates in β ladder)trans-92.7126.3169.8-54.8-172.8000108.3L180 F195 L197 A201 V204 A205 V228 V461L180-L230 HydrophobicContact CD1-CD2 4.06Å; F195-L230 PolarHBondContact O-N 2.85Å; L197-L230 PolarHBondContact N-O 3.25Å; A201-L230 HydrophobicContact CB-CB 3.71Å; A201-L230 WeakPolarHBondContact O-CD1 3.36Å; V204-L230 HydrophobicContact CG1-CD1 4.41Å; A205-L230 HydrophobicContact CB-CD1 4.01Å; V228-L230 HydrophobicContact CG1-CD2 3.99Å; V228-L230 HydrophobicContact CG1-CG 4.41Å; L230-V461 HydrophobicContact CD2-CB 3.53Å; L230-V461 HydrophobicContact CD2-CG1 4.13Å; L230-V461 HydrophobicContact CD2-CG2 3.54Å
231F90.9Very high91.7Very high29 Ų2931.6 Ų31.613%0.12719%0.185CC..EExtended strand (participates in β ladder)trans-131.3114.2-169.8-175-87.3000110.7L197 V235 D236 V461 F462 L463L197-F231 HydrophobicContact CB-CD2 3.96Å; L197-F231 HydrophobicContact CD1-CD2 3.68Å; L197-F231 HydrophobicContact CD1-CE2 4.17Å; L197-F231 HydrophobicContact CG-CD2 4.47Å; F231-V235 HydrophobicContact CE1-CB 4.41Å; F231-V235 HydrophobicContact CE2-CB 4.07Å; F231-V235 HydrophobicContact CE2-CG1 3.78Å; F231-V235 HydrophobicContact CZ-CB 3.87Å; F231-V235 HydrophobicContact CZ-CG1 3.92Å; F231-D236 HydrophobicContact CE1-CB 4.48Å; F231-D236 HydrophobicContact CZ-CB 3.86Å; F231-V461 PolarHBondContact N-O 3.26Å; F231-F462 AromaticContact CD1-CD1 3.54Å; F231-F462 HydrophobicContact CD1-CD1 3.54Å; F231-F462 AromaticContact CD1-CE1 3.62Å; F231-F462 HydrophobicContact CD1-CE1 3.62Å; F231-F462 HydrophobicContact CE1-CD1 4.16Å; F231-F462 AromaticContact CE1-CE1 3.99Å; F231-F462 HydrophobicContact CE1-CE1 3.99Å; F231-F462 HydrophobicContact CG-CD1 4.33Å; F231-F462 HydrophobicContact CG-CE1 4.28Å; F231-F462 CarbonylContact O-C 3.31Å; F231-F462 WeakPolarHBondContact O-CA 3.4Å; F231-L463 PolarHBondContact O-N 2.76Å
232D96.2Very high91.8Very high1 Ų128.1 Ų28.11%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-75.8140.8172.4-69-6.6000111F165 L197 G198 K199 S200 A201 D234 V235 L463F165-D232 HydrophobicContact CE1-CB 3.95Å; F165-D232 HydrophobicContact CZ-CB 3.82Å; L197-D232 PolarHBondContact O-N 2.95Å; G198-D232 WeakPolarHBondContact CA-OD2 3.36Å; K199-D232 PolarHBondContact N-OD2 2.94Å; S200-D232 WeakPolarHBondContact CA-OD2 3.46Å; S200-D232 WeakPolarHBondContact CB-OD1 3.31Å; S200-D232 WeakPolarHBondContact CB-OD2 3.37Å; S200-D232 PolarHBondContact N-OD2 3.28Å; A201-D232 WeakPolarHBondContact CB-OD1 3.47Å; A201-D232 PolarHBondContact N-OD1 2.88Å; A201-D232 PolarHBondContact N-OD2 3.41Å; D232-D234 VanDerWaalsContact C-N 3.27Å; D232-D234 WeakPolarHBondContact CB-OD1 3.27Å; D232-D234 PolarHBondContact O-N 3.13Å; D232-V235 HydrophobicContact CB-CG2 4.11Å; D232-V235 WeakPolarHBondContact O-CB 3.42Å; D232-V235 PolarHBondContact O-N 3.25Å; D232-L463 CarbonylContact C-O 3.59Å; D232-L463 WeakPolarHBondContact OD1-CD1 2.92Å
233R93.7Very high91.6Very high1 Ų125 Ų250%0.00415%0.147CC..G310 helixtrans-63.7-33.5-178.1-17765.4-80.6165.7-3.3112.8F161 F165 V235 D236 V240 L463 G465 E470 I493F161-R233 HydrophobicContact CD2-CB 4.01Å; F161-R233 HydrophobicContact CD2-CG 3.7Å; F161-R233 HydrophobicContact CE2-CB 4.14Å; F161-R233 HydrophobicContact CE2-CG 3.63Å; F165-R233 HydrophobicContact CE2-CB 4.14Å; R233-V235 PolarHBondContact O-N 2.9Å; R233-D236 PolarHBondContact NE-O 3.29Å; R233-D236 PolarHBondContact NH2-O 2.99Å; R233-D236 CarbonylContact O-C 3.54Å; R233-D236 PolarHBondContact O-N 3.17Å; R233-V240 HydrophobicContact CG-CG2 4.41Å; R233-L463 WeakPolarHBondContact CB-O 3.48Å; R233-L463 PolarHBondContact N-O 2.97Å; R233-G465 WeakPolarHBondContact CD-O 3.46Å; R233-G465 PolarHBondContact NH1-O 3.36Å; R233-E470 IonicContact CZ-OE1 2.67Å; R233-E470 IonicContact CZ-OE2 3.06Å; R233-E470 IonicContact NH1-OE1 3.1Å; R233-E470 PolarHBondContact NH1-OE1 3.34Å; R233-E470 IonicContact NH1-OE2 3.89Å; R233-E470 PolarHBondContact NH1-OE2 2.84Å; R233-E470 IonicContact NH2-OE1 3.64Å; R233-E470 PolarHBondContact NH2-OE1 2.88Å; R233-I493 HydrophobicContact CG-CD1 4.44Å
234D91.8Very high91.3Very high58 Ų5824.4 Ų24.431%0.3114%0.141SC..G310 helixtrans-69.7-8.5179.773.4-23.1000113.7F165 D232 P237F165-D234 HydrophobicContact CD1-CB 3.64Å; F165-D234 HydrophobicContact CE1-CB 3.96Å; F165-D234 VanDerWaalsContact CE1-CG 3.47Å; F165-D234 WeakPolarHBondContact CE1-OD1 3.44Å; F165-D234 HydrophobicContact CG-CB 4.21Å; D232-D234 VanDerWaalsContact C-N 3.27Å; D232-D234 WeakPolarHBondContact CB-OD1 3.27Å; D232-D234 PolarHBondContact O-N 3.13Å; D234-P237 WeakPolarHBondContact O-CD 3.46Å
235V88.4Confident91.1Very high63 Ų6326.5 Ų26.538%0.38215%0.151SC..G310 helixtrans-71.1-34.7172175.30000111.7L197 F231 D232 R233L197-V235 HydrophobicContact CB-CG2 4.45Å; F231-V235 HydrophobicContact CE1-CB 4.41Å; F231-V235 HydrophobicContact CE2-CB 4.07Å; F231-V235 HydrophobicContact CE2-CG1 3.78Å; F231-V235 HydrophobicContact CZ-CB 3.87Å; F231-V235 HydrophobicContact CZ-CG1 3.92Å; D232-V235 HydrophobicContact CB-CG2 4.11Å; D232-V235 WeakPolarHBondContact O-CB 3.42Å; D232-V235 PolarHBondContact O-N 3.25Å; R233-V235 PolarHBondContact O-N 2.9Å
236D87.6Confident91Very high65 Ų6526.8 Ų26.835%0.34815%0.152SC..  trans-140.571.9175.6-177.314.2000111.1F231 R233 A238 A239F231-D236 HydrophobicContact CE1-CB 4.48Å; F231-D236 HydrophobicContact CZ-CB 3.86Å; R233-D236 PolarHBondContact NE-O 3.29Å; R233-D236 PolarHBondContact NH2-O 2.99Å; R233-D236 CarbonylContact O-C 3.54Å; R233-D236 PolarHBondContact O-N 3.17Å; D236-A238 PolarHBondContact O-N 3.29Å; D236-A238 PolarHBondContact OD1-N 2.83Å; D236-A239 PolarHBondContact OD1-N 2.86Å
237P87.7Confident90.9Very high33 Ų3325.1 Ų25.121%0.21414%0.142CC..THydrogen-bonded Turntrans-69.2-20179.224.3-28.4000112.2D234 A239 V240 F241 V424D234-P237 WeakPolarHBondContact O-CD 3.46Å; P237-A239 VanDerWaalsContact C-N 3.29Å; P237-A239 PolarHBondContact O-N 3.3Å; P237-V240 PolarHBondContact O-N 3.36Å; P237-F241 HydrophobicContact CB-CE2 4.31Å; P237-F241 WeakPolarHBondContact O-CD2 3.35Å; P237-V424 HydrophobicContact CB-CG2 4.19Å; P237-V424 HydrophobicContact CG-CG1 3.8Å; P237-V424 HydrophobicContact CG-CG2 3.83Å
238A88.4Confident90.9Very high9 Ų923.7 Ų23.77%0.07414%0.136CC..Hα-helixtrans-59.6-40.3-178.700000111.7D236 V240 F241 L242 L390 L421 V424D236-A238 PolarHBondContact O-N 3.29Å; D236-A238 PolarHBondContact OD1-N 2.83Å; A238-V240 PolarHBondContact O-N 3.01Å; A238-V240 VanDerWaalsContact O-N 3.09Å; A238-F241 PolarHBondContact O-N 3.36Å; A238-L242 WeakPolarHBondContact O-CG 3.03Å; A238-L242 PolarHBondContact O-N 3.47Å; A238-L390 HydrophobicContact CB-CD2 4.24Å; A238-L421 HydrophobicContact CB-CD1 4.15Å; A238-V424 HydrophobicContact CB-CG1 3.75Å
239A88.8Confident90.7Very high17 Ų1723.9 Ų23.914%0.1414%0.137CC..Hα-helixtrans-53.2-32.4179.600000113.7D236 P237D236-A239 PolarHBondContact OD1-N 2.86Å; P237-A239 VanDerWaalsContact C-N 3.29Å; P237-A239 PolarHBondContact O-N 3.3Å
240V91.7Very high90.4Very high3 Ų322.4 Ų22.42%0.01813%0.13CC..Hα-helixtrans-76.4-29.4179.6-167.60000112.5R233 P237 A238 T467 I493 K495 L498R233-V240 HydrophobicContact CG-CG2 4.41Å; P237-V240 PolarHBondContact O-N 3.36Å; A238-V240 PolarHBondContact O-N 3.01Å; A238-V240 VanDerWaalsContact O-N 3.09Å; V240-T467 HydrophobicContact CB-CG2 4.25Å; V240-T467 HydrophobicContact CG1-CG2 4.33Å; V240-T467 HydrophobicContact CG2-CG2 3.93Å; V240-I493 HydrophobicContact CG1-CD1 4.08Å; V240-I493 HydrophobicContact CG2-CD1 3.8Å; V240-K495 WeakPolarHBondContact O-CB 3.38Å; V240-L498 HydrophobicContact CB-CD2 3.87Å; V240-L498 HydrophobicContact CG1-CB 3.88Å; V240-L498 HydrophobicContact CG1-CD2 3.5Å; V240-L498 HydrophobicContact CG1-CG 4.22Å; V240-L498 HydrophobicContact CG2-CD2 4.29Å
241F88.7Confident90.1Very high10 Ų1022.4 Ų22.44%0.04413%0.13CC..Hα-helixtrans-89.2-1.6-178.1-57.5-61.8000113.7P237 A238 C420 L421 V424 K495 L498 L499P237-F241 HydrophobicContact CB-CE2 4.31Å; P237-F241 WeakPolarHBondContact O-CD2 3.35Å; A238-F241 PolarHBondContact O-N 3.36Å; F241-C420 HydrophobicContact CD1-CB 3.77Å; F241-C420 HydrophobicContact CD2-CB 3.9Å; F241-C420 HydrophobicContact CE1-CB 3.58Å; F241-C420 HydrophobicContact CE2-CB 3.72Å; F241-C420 HydrophobicContact CG-CB 3.94Å; F241-C420 HydrophobicContact CZ-CB 3.55Å; F241-L421 HydrophobicContact CB-CB 3.86Å; F241-L421 HydrophobicContact CB-CD1 4.25Å; F241-V424 HydrophobicContact CD2-CG2 4.44Å; F241-V424 HydrophobicContact CE2-CG2 4.28Å; F241-K495 WeakPolarHBondContact O-CE 3.4Å; F241-K495 PolarHBondContact O-NZ 3.18Å; F241-L498 HydrophobicContact CE1-CD2 3.88Å; F241-L498 HydrophobicContact CZ-CD2 3.75Å; F241-L499 HydrophobicContact CE1-CD2 3.77Å
242L89.6Confident90.1Very high51 Ų5122.2 Ų22.227%0.26713%0.13SC..SBendtrans-83.1150173.5-65.2170.1000111.5A238 C244 E386 L390 L421A238-L242 WeakPolarHBondContact O-CG 3.03Å; A238-L242 PolarHBondContact O-N 3.47Å; L242-C244 PolarHBondContact O-N 2.61Å; L242-E386 HydrophobicContact CD2-CB 4.08Å; L242-L390 HydrophobicContact CD1-CD1 3.8Å; L242-L390 HydrophobicContact CD1-CD2 4.29Å; L242-L390 HydrophobicContact CD2-CD1 3.55Å; L242-L390 HydrophobicContact CD2-CD2 4.12Å; L242-L390 HydrophobicContact CD2-CG 3.86Å; L242-L390 HydrophobicContact CG-CD1 4.31Å; L242-L421 HydrophobicContact CD2-CD1 3.85Å; L242-L421 HydrophobicContact CD2-CD2 3.71Å; L242-L421 HydrophobicContact CD2-CG 4.46Å; L242-L421 HydrophobicContact CG-CD1 4.27Å
243S86Confident89.5Confident26 Ų2626.1 Ų26.118%0.18215%0.151CC..PPolyproline II helixtrans-69120.5170.8-68.40000109.8E386S243-E386 WeakPolarHBondContact CB-OE2 3.44Å; S243-E386 PolarHBondContact N-OE1 3.01Å; S243-E386 PolarHBondContact N-OE2 2.63Å; S243-E386 VanDerWaalsContact OG-CD 3.25Å; S243-E386 PolarHBondContact OG-OE1 2.81Å; S243-E386 PolarHBondContact OG-OE2 3.49Å; S243-E386 VanDerWaalsContact OG-OE2 3.13Å
244C87.2Confident89Confident27 Ų2728.4 Ų28.418%0.18216%0.161CC..PPolyproline II helixtrans-85.3123.9177.7-172.80000110.4L242 T246 S249 A469L242-C244 PolarHBondContact O-N 2.61Å; C244-T246 PolarHBondContact SG-OG1 3.31Å; C244-S249 WeakPolarHBondContact CB-OG 2.98Å; C244-S249 PolarHBondContact O-OG 3.48Å; C244-S249 WeakPolarHBondContact SG-CB 2.88Å; C244-S249 PolarHBondContact SG-OG 2.93Å; C244-A469 HydrophobicContact CB-CB 4.24Å; C244-A469 WeakPolarHBondContact SG-CA 3.35Å; C244-A469 WeakPolarHBondContact SG-CB 3.39Å; C244-A469 PolarHBondContact SG-N 2.96Å
245L88.3Confident88.7Confident48 Ų4826.7 Ų26.725%0.25115%0.151SC..  trans-100.48.9-169.5-53.1-177.4000114.3H294 F295 F379 L383L245-H294 CarbonylContact O-C 3.57Å; L245-H294 VanDerWaalsContact O-CA 3.28Å; L245-H294 WeakPolarHBondContact O-CA 3.48Å; L245-F295 HydrophobicContact CB-CD1 4.41Å; L245-F295 HydrophobicContact CB-CE1 4.13Å; L245-F295 HydrophobicContact CD2-CE1 3.79Å; L245-F295 HydrophobicContact CD2-CZ 4.38Å; L245-F295 WeakPolarHBondContact O-CD1 3.41Å; L245-F295 PolarHBondContact O-N 3.17Å; L245-F379 HydrophobicContact CD2-CE1 3.77Å; L245-F379 HydrophobicContact CD2-CZ 3.52Å; L245-L383 HydrophobicContact CD1-CD1 4.09Å; L245-L383 HydrophobicContact CD1-CD2 4.48Å; L245-L383 HydrophobicContact CD2-CD1 4.01Å; L245-L383 HydrophobicContact CD2-CD2 3.82Å
246T90.6Very high88.6Confident14 Ų1424.7 Ų24.79%0.08614%0.143CC..BIsolated β-bridgetrans-79.4156.9-179.462.60000111.9C244 D248 S249 L250 Q293 A472C244-T246 PolarHBondContact SG-OG1 3.31Å; T246-D248 VanDerWaalsContact C-N 3.29Å; T246-D248 PolarHBondContact O-N 2.89Å; T246-S249 PolarHBondContact N-OG 2.95Å; T246-S249 PolarHBondContact O-N 3.38Å; T246-S249 PolarHBondContact O-OG 3.42Å; T246-S249 VanDerWaalsContact OG1-CB 3.3Å; T246-S249 WeakPolarHBondContact OG1-CB 3.28Å; T246-S249 PolarHBondContact OG1-N 3.34Å; T246-S249 VanDerWaalsContact OG1-N 3.11Å; T246-S249 PolarHBondContact OG1-OG 3.13Å; T246-L250 PolarHBondContact O-N 3.35Å; T246-Q293 CarbonylContact C-O 3.4Å; T246-Q293 VanDerWaalsContact CA-O 3.31Å; T246-Q293 WeakPolarHBondContact CA-O 3.2Å; T246-A472 HydrophobicContact CG2-CB 3.64Å
247Y93.1Very high88.8Confident0 Ų022 Ų220%013%0.128CC..Hα-helixtrans-57.9-44.2170.1-177-117.3000112S249 L250 L251 Y287 I290 Q293 V298 H345Y247-S249 VanDerWaalsContact C-N 3.34Å; Y247-S249 PolarHBondContact O-N 2.83Å; Y247-L250 WeakPolarHBondContact O-CB 3.19Å; Y247-L250 PolarHBondContact O-N 2.93Å; Y247-L250 VanDerWaalsContact O-N 3.13Å; Y247-L251 HydrophobicContact CD1-CD1 4.06Å; Y247-L251 HydrophobicContact CD1-CG 4.34Å; Y247-L251 HydrophobicContact CE1-CD1 3.48Å; Y247-L251 VanDerWaalsContact CE1-CD1 3.48Å; Y247-L251 HydrophobicContact CE1-CD2 4.34Å; Y247-L251 HydrophobicContact CE1-CG 3.96Å; Y247-L251 HydrophobicContact CE2-CD2 4.03Å; Y247-L251 HydrophobicContact CE2-CG 4.24Å; Y247-L251 WeakPolarHBondContact O-CG 3.36Å; Y247-L251 PolarHBondContact O-N 2.97Å; Y247-Y287 HydrophobicContact CE1-CD2 4.43Å; Y247-I290 VanDerWaalsContact CB-O 3.24Å; Y247-I290 WeakPolarHBondContact CB-O 3.26Å; Y247-I290 HydrophobicContact CD1-CB 4.46Å; Y247-I290 HydrophobicContact CD1-CD1 3.85Å; Y247-I290 HydrophobicContact CD1-CG1 3.69Å; Y247-I290 HydrophobicContact CE1-CD1 3.53Å; Y247-I290 HydrophobicContact CE1-CG1 3.88Å; Y247-I290 HydrophobicContact CG-CG1 4.4Å; Y247-Q293 PolarHBondContact N-O 3.27Å; Y247-V298 HydrophobicContact CD2-CB 4.28Å; Y247-V298 HydrophobicContact CD2-CG1 3.81Å; Y247-V298 HydrophobicContact CD2-CG2 3.9Å; Y247-V298 HydrophobicContact CE2-CG1 4Å; Y247-V298 HydrophobicContact CG-CG1 4.27Å; Y247-V298 HydrophobicContact CG-CG2 3.99Å; Y247-H345 AromaticContact CE1-ND1 3.46Å; Y247-H345 WeakPolarHBondContact CE1-ND1 3.36Å; Y247-H345 AromaticContact CZ-ND1 3.57Å; Y247-H345 PolarHBondContact OH-ND1 2.85Å; Y247-H345 PolarHBondContact OH-O 3.44Å
248D94.1Very high89.1Confident7 Ų724.6 Ų24.64%0.03714%0.141CC..Hα-helixtrans-62.9-40.4-177.5-166.654.6000112.3T246 L251 D252 L257 Y287 R291 R468T246-D248 VanDerWaalsContact C-N 3.29Å; T246-D248 PolarHBondContact O-N 2.89Å; D248-L251 PolarHBondContact O-N 3.14Å; D248-D252 PolarHBondContact O-N 2.86Å; D248-D252 VanDerWaalsContact O-N 3.08Å; D248-L257 WeakPolarHBondContact O-CD1 3.41Å; D248-Y287 PolarHBondContact OD1-OH 2.81Å; D248-R291 HydrophobicContact CB-CB 4.29Å; D248-R291 WeakPolarHBondContact CB-O 3.32Å; D248-R291 PolarHBondContact N-O 3.02Å; D248-R468 IonicContact OD1-NH1 2.73Å; D248-R468 VanDerWaalsContact OD2-CD 3.24Å; D248-R468 WeakPolarHBondContact OD2-CD 3.29Å; D248-R468 IonicContact OD2-CZ 2.84Å; D248-R468 IonicContact OD2-NE 2.76Å; D248-R468 IonicContact OD2-NH1 2.8Å; D248-R468 PolarHBondContact OD2-NH1 2.93Å
249S91.2Very high89.4Confident4 Ų424.4 Ų24.43%0.02814%0.139CC..Hα-helixtrans-67.6-36.3172.361.40000113.6C244 T246 Y247 L251 D252 D253C244-S249 WeakPolarHBondContact CB-OG 2.98Å; C244-S249 PolarHBondContact O-OG 3.48Å; C244-S249 WeakPolarHBondContact SG-CB 2.88Å; C244-S249 PolarHBondContact SG-OG 2.93Å; T246-S249 PolarHBondContact N-OG 2.95Å; T246-S249 PolarHBondContact O-N 3.38Å; T246-S249 PolarHBondContact O-OG 3.42Å; T246-S249 VanDerWaalsContact OG1-CB 3.3Å; T246-S249 WeakPolarHBondContact OG1-CB 3.28Å; T246-S249 PolarHBondContact OG1-N 3.34Å; T246-S249 VanDerWaalsContact OG1-N 3.11Å; T246-S249 PolarHBondContact OG1-OG 3.13Å; Y247-S249 VanDerWaalsContact C-N 3.34Å; Y247-S249 PolarHBondContact O-N 2.83Å; S249-L251 VanDerWaalsContact C-N 3.27Å; S249-L251 PolarHBondContact O-N 3.3Å; S249-D252 PolarHBondContact O-N 3.02Å; S249-D253 WeakPolarHBondContact O-CB 3.46Å; S249-D253 VanDerWaalsContact O-CG 3.26Å; S249-D253 PolarHBondContact O-N 3.44Å
250L88.6Confident89.7Confident5 Ų524.2 Ų24.23%0.02614%0.138CC..Hα-helixtrans-59.6-42.4173177.567.2000110.7T246 Y247 K254 F295 M353 L356T246-L250 PolarHBondContact O-N 3.35Å; Y247-L250 WeakPolarHBondContact O-CB 3.19Å; Y247-L250 PolarHBondContact O-N 2.93Å; Y247-L250 VanDerWaalsContact O-N 3.13Å; L250-K254 HydrophobicContact CD1-CG 3.88Å; L250-K254 HydrophobicContact CG-CG 4.48Å; L250-K254 WeakPolarHBondContact O-CB 3.43Å; L250-K254 VanDerWaalsContact O-CG 3.29Å; L250-K254 WeakPolarHBondContact O-CG 3.26Å; L250-K254 PolarHBondContact O-N 3.19Å; L250-K254 VanDerWaalsContact O-N 3.13Å; L250-F295 HydrophobicContact CB-CB 4.36Å; L250-F295 HydrophobicContact CD2-CB 3.86Å; L250-F295 HydrophobicContact CD2-CG 4.34Å; L250-M353 HydrophobicContact CD2-CG 4.48Å; L250-M353 HydrophobicContact CD2-SD 4.28Å; L250-L356 HydrophobicContact CD1-CD1 3.63Å
251L90.7Very high89.8Confident0 Ų025.1 Ų25.10%014%0.142CC..Hα-helixtrans-63-44.1177.4-67.9-172.3000112.1Y247 D248 S249 K254 F255 G256 L257 L262 L280 Y287 L348Y247-L251 HydrophobicContact CD1-CD1 4.06Å; Y247-L251 HydrophobicContact CD1-CG 4.34Å; Y247-L251 HydrophobicContact CE1-CD1 3.48Å; Y247-L251 VanDerWaalsContact CE1-CD1 3.48Å; Y247-L251 HydrophobicContact CE1-CD2 4.34Å; Y247-L251 HydrophobicContact CE1-CG 3.96Å; Y247-L251 HydrophobicContact CE2-CD2 4.03Å; Y247-L251 HydrophobicContact CE2-CG 4.24Å; Y247-L251 WeakPolarHBondContact O-CG 3.36Å; Y247-L251 PolarHBondContact O-N 2.97Å; D248-L251 PolarHBondContact O-N 3.14Å; S249-L251 VanDerWaalsContact C-N 3.27Å; S249-L251 PolarHBondContact O-N 3.3Å; L251-K254 PolarHBondContact O-N 3Å; L251-F255 HydrophobicContact CB-CD2 4.48Å; L251-F255 HydrophobicContact CD2-CD2 3.77Å; L251-F255 HydrophobicContact CD2-CE2 3.75Å; L251-F255 WeakPolarHBondContact O-CB 3.4Å; L251-F255 PolarHBondContact O-N 2.83Å; L251-G256 PolarHBondContact O-N 3.38Å; L251-L257 HydrophobicContact CB-CD1 3.84Å; L251-L257 HydrophobicContact CB-CG 4.49Å; L251-L262 HydrophobicContact CB-CD1 3.89Å; L251-L280 HydrophobicContact CD1-CD1 3.44Å; L251-L280 VanDerWaalsContact CD1-CD1 3.44Å; L251-Y287 HydrophobicContact CD1-CE2 4.48Å; L251-L348 HydrophobicContact CD2-CB 3.96Å; L251-L348 HydrophobicContact CD2-CD1 4.24Å; L251-L348 HydrophobicContact CD2-CG 4.49Å
252D90.8Very high90Very high25 Ų2524.6 Ų24.613%0.13414%0.14CC..Hα-helixtrans-60.5-51.5176.4-159.61.7000111.7D248 S249 K254 G256 L257 R468D248-D252 PolarHBondContact O-N 2.86Å; D248-D252 VanDerWaalsContact O-N 3.08Å; S249-D252 PolarHBondContact O-N 3.02Å; D252-K254 PolarHBondContact O-N 3.45Å; D252-K254 VanDerWaalsContact O-N 3.15Å; D252-G256 WeakPolarHBondContact O-CA 3.5Å; D252-G256 PolarHBondContact O-N 2.92Å; D252-L257 HydrophobicContact CB-CB 3.99Å; D252-L257 HydrophobicContact CB-CD1 4.05Å; D252-L257 HydrophobicContact CB-CG 4.27Å; D252-L257 PolarHBondContact OD1-N 3.33Å; D252-R468 IonicContact OD2-CZ 3.55Å; D252-R468 IonicContact OD2-NE 2.76Å; D252-R468 PolarHBondContact OD2-NE 2.8Å; D252-R468 IonicContact OD2-NH2 2.76Å; D252-R468 PolarHBondContact OD2-NH2 2.78Å; D252-R468 VanDerWaalsContact OD2-NH2 3.13Å
253D83.5Confident89.8Confident83 Ų8325.9 Ų25.944%0.44415%0.147SC..Hα-helixtrans-61.4-29.1-177.2-75.5-7.5000113.3S249S249-D253 WeakPolarHBondContact O-CB 3.46Å; S249-D253 VanDerWaalsContact O-CG 3.26Å; S249-D253 PolarHBondContact O-N 3.44Å
254K81.8Confident89.8Confident49 Ų4925.8 Ų25.821%0.21315%0.145CC..Hα-helixtrans-101.6-32.6-174.8-59.5-42.8178-156.20113.9L250 L251 D252 I355L250-K254 HydrophobicContact CD1-CG 3.88Å; L250-K254 HydrophobicContact CG-CG 4.48Å; L250-K254 WeakPolarHBondContact O-CB 3.43Å; L250-K254 VanDerWaalsContact O-CG 3.29Å; L250-K254 WeakPolarHBondContact O-CG 3.26Å; L250-K254 PolarHBondContact O-N 3.19Å; L250-K254 VanDerWaalsContact O-N 3.13Å; L251-K254 PolarHBondContact O-N 3Å; D252-K254 PolarHBondContact O-N 3.45Å; D252-K254 VanDerWaalsContact O-N 3.15Å; K254-I355 HydrophobicContact CD-CB 4.37Å; K254-I355 HydrophobicContact CD-CG2 3.83Å
255F85.7Confident89.5Confident22 Ų2225.3 Ų25.310%0.09614%0.142CC..Hα-helixtrans-124.6-11.6-170.2-51.1-57.6000112.7L251 L262 P265 L348 V351 I355L251-F255 HydrophobicContact CB-CD2 4.48Å; L251-F255 HydrophobicContact CD2-CD2 3.77Å; L251-F255 HydrophobicContact CD2-CE2 3.75Å; L251-F255 WeakPolarHBondContact O-CB 3.4Å; L251-F255 PolarHBondContact O-N 2.83Å; F255-L262 HydrophobicContact CB-CD1 3.53Å; F255-L262 HydrophobicContact CB-CG 4.01Å; F255-L262 HydrophobicContact CD2-CD1 4.17Å; F255-L262 HydrophobicContact CG-CD1 4.3Å; F255-P265 HydrophobicContact CD1-CG 3.42Å; F255-P265 VanDerWaalsContact CD1-CG 3.42Å; F255-P265 HydrophobicContact CE1-CB 4.49Å; F255-P265 HydrophobicContact CE1-CG 3.23Å; F255-P265 HydrophobicContact CG-CG 4.35Å; F255-P265 HydrophobicContact CZ-CG 4.03Å; F255-L348 HydrophobicContact CD2-CD2 4.02Å; F255-L348 HydrophobicContact CE2-CB 4.41Å; F255-L348 HydrophobicContact CE2-CD2 3.76Å; F255-L348 HydrophobicContact CZ-CD2 4.13Å; F255-V351 HydrophobicContact CE1-CG1 3.82Å; F255-V351 HydrophobicContact CZ-CB 4.16Å; F255-V351 HydrophobicContact CZ-CG1 3.87Å; F255-I355 HydrophobicContact CE1-CD1 4.19Å
256G87.4Confident89.2Confident21 Ų2132 Ų3222%0.21617%0.168CC..  trans74.2123.5-175.400000111.8L251 D252L251-G256 PolarHBondContact O-N 3.38Å; D252-G256 WeakPolarHBondContact O-CA 3.5Å; D252-G256 PolarHBondContact O-N 2.92Å
257L91.2Very high88.6Confident8 Ų838.6 Ų38.64%0.04220%0.198CC..EExtended strand (participates in β ladder)trans-120.8106.9173.2-79.7173.5000110D248 L251 D252 L262 L280 R468D248-L257 WeakPolarHBondContact O-CD1 3.41Å; L251-L257 HydrophobicContact CB-CD1 3.84Å; L251-L257 HydrophobicContact CB-CG 4.49Å; D252-L257 HydrophobicContact CB-CB 3.99Å; D252-L257 HydrophobicContact CB-CD1 4.05Å; D252-L257 HydrophobicContact CB-CG 4.27Å; D252-L257 PolarHBondContact OD1-N 3.33Å; L257-L262 HydrophobicContact CD1-CD1 4.37Å; L257-L262 HydrophobicContact CD2-CB 3.66Å; L257-L262 HydrophobicContact CD2-CD1 3.54Å; L257-L262 HydrophobicContact CD2-CG 4.23Å; L257-L262 HydrophobicContact CG-CD1 3.67Å; L257-L280 HydrophobicContact CD1-CD1 4.13Å; L257-L280 HydrophobicContact CD2-CD1 3.68Å; L257-L280 HydrophobicContact CD2-CG 4.32Å; L257-R468 PolarHBondContact O-NH2 2.89Å
258N93.1Very high87.8Confident88 Ų8841.2 Ų41.247%0.47121%0.212SC..EExtended strand (participates in β ladder)trans-120.2130.6172.5-3993.2000109.1K40 G260 F261K40-N258 HydrophobicContact CD-CB 3.66Å; K40-N258 PolarHBondContact NZ-OD1 2.87Å; N258-G260 PolarHBondContact O-N 2.71Å; N258-G260 VanDerWaalsContact O-N 3.11Å; N258-F261 PolarHBondContact N-O 3.21Å; N258-F261 PolarHBondContact O-N 2.84Å
259S95.7Very high86.7Confident5 Ų542.2 Ų42.24%0.03522%0.22CC..THydrogen-bonded Turntrans5233.7-178.4-280000113.1P41 R44 E156 F261P41-S259 WeakPolarHBondContact CD-OG 3.35Å; P41-S259 WeakPolarHBondContact CG-OG 3.39Å; R44-S259 VanDerWaalsContact CD-O 3.29Å; R44-S259 WeakPolarHBondContact CD-O 3.38Å; R44-S259 WeakPolarHBondContact CG-O 3.31Å; E156-S259 WeakPolarHBondContact OE2-CB 3.41Å; E156-S259 PolarHBondContact OE2-OG 3.32Å; S259-F261 VanDerWaalsContact C-N 3.28Å; S259-F261 PolarHBondContact O-N 3.48Å
260G94.5Very high85.3Confident12 Ų1245.8 Ų45.812%0.12425%0.245CC..THydrogen-bonded Turntrans78.3-1.1-176.800000115.7N258 L280N258-G260 PolarHBondContact O-N 2.71Å; N258-G260 VanDerWaalsContact O-N 3.11Å; G260-L280 PolarHBondContact O-N 3.33Å
261F94.8Very high83.3Confident22 Ų2256.2 Ų56.210%0.09629%0.29CS..EExtended strand (participates in β ladder)trans-93.9120.1178.3-69.6-79.4000112.7K40 D43 R44 N258 S259 R277 L278 L279K40-F261 HydrophobicContact CB-CD2 4.03Å; K40-F261 HydrophobicContact CD-CB 4.11Å; K40-F261 HydrophobicContact CG-CB 4.32Å; K40-F261 HydrophobicContact CG-CD2 4.27Å; K40-F261 PolarHBondContact NZ-O 3.3Å; K40-F261 WeakPolarHBondContact O-CE2 3.25Å; D43-F261 HydrophobicContact CB-CE2 4Å; D43-F261 HydrophobicContact CB-CZ 4Å; R44-F261 HydrophobicContact CG-CE2 3.83Å; N258-F261 PolarHBondContact N-O 3.21Å; N258-F261 PolarHBondContact O-N 2.84Å; S259-F261 VanDerWaalsContact C-N 3.28Å; S259-F261 PolarHBondContact O-N 3.48Å; F261-R277 HydrophobicContact CD1-CB 4.35Å; F261-L278 CarbonylContact C-O 3.47Å; F261-L278 WeakPolarHBondContact CA-O 3.44Å; F261-L279 HydrophobicContact CD1-CB 4.1Å; F261-L279 HydrophobicContact CD1-CD1 3.81Å; F261-L279 HydrophobicContact CD2-CD1 4.09Å; F261-L279 HydrophobicContact CE1-CB 3.87Å; F261-L279 HydrophobicContact CE1-CD1 3.64Å; F261-L279 HydrophobicContact CE1-CG 4.25Å; F261-L279 HydrophobicContact CE2-CD1 3.94Å; F261-L279 HydrophobicContact CG-CD1 4.04Å; F261-L279 HydrophobicContact CZ-CD1 3.71Å
262L92.3Very high81.1Confident0 Ų060 Ų600%033%0.329CS..EExtended strand (participates in β ladder)trans-91.2137.4173.2-166.979.3000110.6L251 F255 L257 V264 R277 L278 L280 L348L251-L262 HydrophobicContact CB-CD1 3.89Å; F255-L262 HydrophobicContact CB-CD1 3.53Å; F255-L262 HydrophobicContact CB-CG 4.01Å; F255-L262 HydrophobicContact CD2-CD1 4.17Å; F255-L262 HydrophobicContact CG-CD1 4.3Å; L257-L262 HydrophobicContact CD1-CD1 4.37Å; L257-L262 HydrophobicContact CD2-CB 3.66Å; L257-L262 HydrophobicContact CD2-CD1 3.54Å; L257-L262 HydrophobicContact CD2-CG 4.23Å; L257-L262 HydrophobicContact CG-CD1 3.67Å; L262-V264 PolarHBondContact O-N 2.99Å; L262-R277 WeakPolarHBondContact O-CA 3.41Å; L262-L278 HydrophobicContact CB-CB 4.38Å; L262-L278 HydrophobicContact CD2-CD2 4.29Å; L262-L278 PolarHBondContact N-O 3.21Å; L262-L278 PolarHBondContact O-N 2.88Å; L262-L280 HydrophobicContact CB-CD1 4.32Å; L262-L280 HydrophobicContact CB-CG 4.36Å; L262-L280 HydrophobicContact CD1-CD1 4.46Å; L262-L280 HydrophobicContact CD2-CD1 4.47Å; L262-L348 HydrophobicContact CD2-CD1 3.65Å; L262-L348 HydrophobicContact CD2-CD2 3.79Å; L262-L348 HydrophobicContact CD2-CG 4.41Å
263N86.2Confident78.8Confident78 Ų7861 Ų6142%0.41734%0.338SS..EExtended strand (participates in β ladder)trans-83.2108.4166-64.1-40.8000109.5P265N263-P265 WeakPolarHBondContact O-CD 3.43Å
264V86.1Confident76.9Confident24 Ų2462.2 Ų62.215%0.14535%0.351CS..  trans-69.3128.1179.2179.10000110.1L262 L268 G276 L278L262-V264 PolarHBondContact O-N 2.99Å; V264-L268 HydrophobicContact CG1-CB 3.88Å; V264-G276 VanDerWaalsContact CB-O 3.27Å; V264-G276 WeakPolarHBondContact CB-O 3.41Å; V264-G276 WeakPolarHBondContact CG2-O 3.22Å; V264-G276 PolarHBondContact N-O 3.05Å; V264-L278 HydrophobicContact CG2-CB 3.6Å; V264-L278 HydrophobicContact CG2-CD2 4.36Å
265P80.7Confident75.4Confident17 Ų1765.3 Ų65.311%0.1138%0.375CS..  trans-55.3144.3175.2-26.434.1000112.6F255 N263 Q267 L268 S269 L348 V351F255-P265 HydrophobicContact CD1-CG 3.42Å; F255-P265 VanDerWaalsContact CD1-CG 3.42Å; F255-P265 HydrophobicContact CE1-CB 4.49Å; F255-P265 HydrophobicContact CE1-CG 3.23Å; F255-P265 HydrophobicContact CG-CG 4.35Å; F255-P265 HydrophobicContact CZ-CG 4.03Å; N263-P265 WeakPolarHBondContact O-CD 3.43Å; P265-Q267 PolarHBondContact O-N 3.3Å; P265-Q267 VanDerWaalsContact O-N 3.09Å; P265-L268 HydrophobicContact CG-CD1 4.23Å; P265-L268 PolarHBondContact O-N 3.35Å; P265-S269 PolarHBondContact O-N 3.36Å; P265-L348 HydrophobicContact CG-CD2 4.49Å; P265-V351 HydrophobicContact CG-CG1 4.42Å
266K81.4Confident74.5Confident187 Ų18765.4 Ų65.481%0.81338%0.383SS*.THydrogen-bonded Turntrans-57.6-28.4179.3-68.1-177179.6178.20113L268K266-L268 VanDerWaalsContact C-N 3.28Å; K266-L268 PolarHBondContact O-N 3.08Å
267Q76.9Confident74.1Confident154 Ų15470.2 Ų70.272%0.7240%0.395SS*.THydrogen-bonded Turntrans-67.7-27.9177.3-6085-14.700112.8P265P265-Q267 PolarHBondContact O-N 3.3Å; P265-Q267 VanDerWaalsContact O-N 3.09Å
268L76.1Confident74.1Confident55 Ų5572 Ų7229%0.28840%0.404SS..THydrogen-bonded Turntrans-101.1-16.1-179.9-60.4177.1000112.4V264 P265 K266 S270 L348 V351V264-L268 HydrophobicContact CG1-CB 3.88Å; P265-L268 HydrophobicContact CG-CD1 4.23Å; P265-L268 PolarHBondContact O-N 3.35Å; K266-L268 VanDerWaalsContact C-N 3.28Å; K266-L268 PolarHBondContact O-N 3.08Å; L268-S270 PolarHBondContact O-N 3.37Å; L268-L348 HydrophobicContact CD1-CB 4.48Å; L268-L348 HydrophobicContact CD1-CD2 3.68Å; L268-L348 HydrophobicContact CD1-CG 3.96Å; L268-V351 HydrophobicContact CD1-CG2 4.19Å; L268-V351 HydrophobicContact CD2-CG2 4.32Å; L268-V351 HydrophobicContact CG-CG2 4.29Å
269S72.3Confident74.2Confident28 Ų2871.3 Ų71.320%0.19640%0.4CS..SBendtrans-70.2126.2171.9-177.20000109.9P265 S273P265-S269 PolarHBondContact O-N 3.36Å; S269-S273 PolarHBondContact OG-OG 3.17Å; S269-S273 VanDerWaalsContact OG-OG 3.08Å
270S62.4Low74.1Confident79 Ų7971.4 Ų71.455%0.55240%0.4SS*.  trans-56.3142.4169.966.60000110.6L268 G272 S273L268-S270 PolarHBondContact O-N 3.37Å; S270-G272 PolarHBondContact O-N 3.07Å; S270-S273 PolarHBondContact O-N 2.84Å; S270-S273 PolarHBondContact O-OG 2.56Å; S270-S273 VanDerWaalsContact O-OG 3.08Å; S270-S273 WeakPolarHBondContact OG-CB 3.24Å; S270-S273 PolarHBondContact OG-OG 3.06Å
271K45.9Very low74.2Confident223 Ų22372.9 Ų72.997%0.9740%0.404SS*.THydrogen-bonded Turntrans-58.6108.9171.8-72.9-175.8178.2179.50108.4
272G44Very low74.2Confident81 Ų8173.2 Ų73.284%0.83541%0.408SS*.THydrogen-bonded Turntrans111.5-9176.300000116.2S270S270-G272 PolarHBondContact O-N 3.07Å
273S43Very low74.4Confident46 Ų4677.8 Ų77.832%0.32244%0.44SS..SBendtrans-82.2132.2164.5530000109.2S269 S270S269-S273 PolarHBondContact OG-OG 3.17Å; S269-S273 VanDerWaalsContact OG-OG 3.08Å; S270-S273 PolarHBondContact O-N 2.84Å; S270-S273 PolarHBondContact O-OG 2.56Å; S270-S273 VanDerWaalsContact O-OG 3.08Å; S270-S273 WeakPolarHBondContact OG-CB 3.24Å; S270-S273 PolarHBondContact OG-OG 3.06Å
274P43.6Very low74.8Confident108 Ų10876 Ų7670%0.70143%0.431SS*.  trans-52.6148.317223.1-31.7000108.9G276P274-G276 WeakPolarHBondContact O-CA 3.23Å; P274-G276 PolarHBondContact O-N 2.83Å
275P50.2Low75.3Confident113 Ų11378.3 Ų78.373%0.73445%0.447SS*.SBendtrans-46.7103.9-175.618.3-31.2000109.1R277P275-R277 PolarHBondContact O-N 3.43Å; P275-R277 VanDerWaalsContact O-N 3.09Å
276G66Low76Confident25 Ų2577.8 Ų77.826%0.25844%0.443SS..  trans-76.2108.6-154.900000109.1V264 P274 L278V264-G276 VanDerWaalsContact CB-O 3.27Å; V264-G276 WeakPolarHBondContact CB-O 3.41Å; V264-G276 WeakPolarHBondContact CG2-O 3.22Å; V264-G276 PolarHBondContact N-O 3.05Å; P274-G276 WeakPolarHBondContact O-CA 3.23Å; P274-G276 PolarHBondContact O-N 2.83Å; G276-L278 PolarHBondContact O-N 2.93Å
277R80.8Confident76.8Confident121 Ų12169.4 Ų69.446%0.45741%0.406SS..EExtended strand (participates in β ladder)trans-68.8118.2161.7-66.8-173.7-66.2162.16.5106.7D43 F261 L262 P275D43-R277 IonicContact OD2-CZ 3.88Å; D43-R277 IonicContact OD2-NH1 3.19Å; D43-R277 PolarHBondContact OD2-NH1 2.77Å; D43-R277 IonicContact OD2-NH2 3.19Å; D43-R277 PolarHBondContact OD2-NH2 2.86Å; F261-R277 HydrophobicContact CD1-CB 4.35Å; L262-R277 WeakPolarHBondContact O-CA 3.41Å; P275-R277 PolarHBondContact O-N 3.43Å; P275-R277 VanDerWaalsContact O-N 3.09Å
278L90.3Very high77.7Confident46 Ų4663.6 Ų63.624%0.24138%0.384CS..EExtended strand (participates in β ladder)trans-102.7128.7178.3173.572.7000108.7F261 L262 V264 G276 L280 L344F261-L278 CarbonylContact C-O 3.47Å; F261-L278 WeakPolarHBondContact CA-O 3.44Å; L262-L278 HydrophobicContact CB-CB 4.38Å; L262-L278 HydrophobicContact CD2-CD2 4.29Å; L262-L278 PolarHBondContact N-O 3.21Å; L262-L278 PolarHBondContact O-N 2.88Å; V264-L278 HydrophobicContact CG2-CB 3.6Å; V264-L278 HydrophobicContact CG2-CD2 4.36Å; G276-L278 PolarHBondContact O-N 2.93Å; L278-L280 HydrophobicContact CD2-CD2 3.5Å; L278-L280 VanDerWaalsContact CD2-CD2 3.5Å; L278-L280 HydrophobicContact CD2-CG 4.43Å; L278-L280 HydrophobicContact CG-CD2 4.01Å; L278-L344 HydrophobicContact CD1-CD2 4.01Å; L278-L344 HydrophobicContact CD2-CD1 4.35Å; L278-L344 HydrophobicContact CD2-CD2 3.35Å; L278-L344 HydrophobicContact CD2-CG 4.22Å; L278-L344 HydrophobicContact CG-CD2 4.32Å
279L94.2Very high78.7Confident74 Ų7463 Ų6339%0.38739%0.385SS..EExtended strand (participates in β ladder)trans-86.5115.1171.4-171.865.3000109.7F261F261-L279 HydrophobicContact CD1-CB 4.1Å; F261-L279 HydrophobicContact CD1-CD1 3.81Å; F261-L279 HydrophobicContact CD2-CD1 4.09Å; F261-L279 HydrophobicContact CE1-CB 3.87Å; F261-L279 HydrophobicContact CE1-CD1 3.64Å; F261-L279 HydrophobicContact CE1-CG 4.25Å; F261-L279 HydrophobicContact CE2-CD1 3.94Å; F261-L279 HydrophobicContact CG-CD1 4.04Å; F261-L279 HydrophobicContact CZ-CD1 3.71Å
280L95.2Very high79.8Confident7 Ų761.7 Ų61.74%0.03738%0.376CS..  trans-87.9131.3171.8-61.2-176.9000109.5L251 L257 G260 L262 L278 Y287L251-L280 HydrophobicContact CD1-CD1 3.44Å; L251-L280 VanDerWaalsContact CD1-CD1 3.44Å; L257-L280 HydrophobicContact CD1-CD1 4.13Å; L257-L280 HydrophobicContact CD2-CD1 3.68Å; L257-L280 HydrophobicContact CD2-CG 4.32Å; G260-L280 PolarHBondContact O-N 3.33Å; L262-L280 HydrophobicContact CB-CD1 4.32Å; L262-L280 HydrophobicContact CB-CG 4.36Å; L262-L280 HydrophobicContact CD1-CD1 4.46Å; L262-L280 HydrophobicContact CD2-CD1 4.47Å; L278-L280 HydrophobicContact CD2-CD2 3.5Å; L278-L280 VanDerWaalsContact CD2-CD2 3.5Å; L278-L280 HydrophobicContact CD2-CG 4.43Å; L278-L280 HydrophobicContact CG-CD2 4.01Å; L280-Y287 HydrophobicContact CB-CD1 4.36Å; L280-Y287 HydrophobicContact CB-CD2 4.44Å; L280-Y287 HydrophobicContact CB-CE1 3.9Å; L280-Y287 HydrophobicContact CB-CE2 4Å; L280-Y287 HydrophobicContact CD1-CD2 4.37Å; L280-Y287 HydrophobicContact CD1-CE2 3.76Å; L280-Y287 HydrophobicContact CD2-CD2 4.22Å; L280-Y287 HydrophobicContact CD2-CE2 4.38Å; L280-Y287 HydrophobicContact CG-CE2 4.29Å
281H95.7Very high81.5Confident43 Ų4358.8 Ų58.820%0.19935%0.353CS..  trans-160.9148.8-176.6-174-105.7000110.9L148 D149 S283 D284 Y287L148-H281 PolarHBondContact O-CD2 3.21Å; D149-H281 IonicContact OD1-NE2 3.13Å; D149-H281 IonicContact OD2-CD2 2.75Å; H281-S283 VanDerWaalsContact ND1-CB 3.25Å; H281-S283 WeakPolarHBondContact ND1-CB 3.18Å; H281-S283 PolarHBondContact ND1-N 3.38Å; H281-S283 PolarHBondContact ND1-OG 3.03Å; H281-S283 PolarHBondContact O-N 2.8Å; H281-D284 PolarHBondContact O-N 2.81Å; H281-Y287 WeakPolarHBondContact O-CD1 3.22Å
282S96.1Very high83.8Confident28 Ų2849.8 Ų49.820%0.19632%0.315CS..THydrogen-bonded Turntrans-57.9-14.6176.754.90000116D149 S150 D284D149-S282 WeakPolarHBondContact OD1-CB 3.39Å; D149-S282 PolarHBondContact OD1-OG 3.29Å; D149-S282 PolarHBondContact OD2-N 2.87Å; S150-S282 PolarHBondContact OG-OG 2.73Å; S282-D284 PolarHBondContact O-N 2.78Å
283S94.9Very high86.1Confident96 Ų9649 Ų4967%0.67129%0.29SS*.THydrogen-bonded Turntrans-63.1-22.6171.4570000112.5H281 P285H281-S283 VanDerWaalsContact ND1-CB 3.25Å; H281-S283 WeakPolarHBondContact ND1-CB 3.18Å; H281-S283 PolarHBondContact ND1-N 3.38Å; H281-S283 PolarHBondContact ND1-OG 3.03Å; H281-S283 PolarHBondContact O-N 2.8Å; S283-P285 WeakPolarHBondContact O-CD 3.23Å
284D95.8Very high88.3Confident41 Ų4150.2 Ų50.222%0.21929%0.29CS..SBendtrans-83.2110.4165.2-176.4-16.6000109.4H281 S282 V286 Y287 A288 S341 H345H281-D284 PolarHBondContact O-N 2.81Å; S282-D284 PolarHBondContact O-N 2.78Å; D284-V286 VanDerWaalsContact C-N 3.27Å; D284-V286 PolarHBondContact O-N 2.82Å; D284-V286 WeakPolarHBondContact OD1-CB 3.13Å; D284-V286 PolarHBondContact OD1-N 2.94Å; D284-Y287 PolarHBondContact O-N 2.79Å; D284-A288 WeakPolarHBondContact O-CB 3.47Å; D284-A288 PolarHBondContact O-N 3Å; D284-S341 PolarHBondContact OD1-OG 2.78Å; D284-S341 VanDerWaalsContact OD1-OG 3.06Å; D284-S341 WeakPolarHBondContact OD2-CB 3.33Å; D284-S341 PolarHBondContact OD2-OG 3.03Å; D284-H345 IonicContact OD2-NE2 2.76Å
285P95.4Very high90.2Very high73 Ų7345.8 Ų45.847%0.47426%0.26SS..Hα-helixtrans-65.3-28.5-17727.3-35000113.3S283 S289S283-P285 WeakPolarHBondContact O-CD 3.23Å; P285-S289 WeakPolarHBondContact O-CB 3.31Å; P285-S289 PolarHBondContact O-N 2.81Å; P285-S289 VanDerWaalsContact O-N 3.15Å
286V96.2Very high91.8Very high5 Ų543.5 Ų43.53%0.0325%0.251CS..Hα-helixtrans-67.1-55177.1176.10000108.3D284 A288 S289 I290 L302 S341 L342 H345D284-V286 VanDerWaalsContact C-N 3.27Å; D284-V286 PolarHBondContact O-N 2.82Å; D284-V286 WeakPolarHBondContact OD1-CB 3.13Å; D284-V286 PolarHBondContact OD1-N 2.94Å; V286-A288 PolarHBondContact O-N 3.14Å; V286-S289 PolarHBondContact O-N 3.24Å; V286-S289 VanDerWaalsContact O-N 3.1Å; V286-S289 PolarHBondContact O-OG 2.87Å; V286-I290 HydrophobicContact CG1-CD1 4.38Å; V286-I290 WeakPolarHBondContact O-CG1 3.44Å; V286-I290 PolarHBondContact O-N 3.05Å; V286-L302 HydrophobicContact CG1-CD2 3.81Å; V286-S341 WeakPolarHBondContact CB-OG 3.44Å; V286-L342 HydrophobicContact CG1-CD2 3.68Å; V286-L342 HydrophobicContact CG1-CG 4.29Å; V286-L342 HydrophobicContact CG2-CD2 4.03Å; V286-L342 HydrophobicContact CG2-CG 3.96Å; V286-H345 HydrophobicContact CG1-CB 4.42Å
287Y97Very high92.8Very high12 Ų1250.5 Ų50.55%0.04727%0.269CS..Hα-helixtrans-56.6-46.9176.7175.9-111.6000112Y247 D248 L251 L280 H281 D284 S289 I290 R291 H345Y247-Y287 HydrophobicContact CE1-CD2 4.43Å; D248-Y287 PolarHBondContact OD1-OH 2.81Å; L251-Y287 HydrophobicContact CD1-CE2 4.48Å; L280-Y287 HydrophobicContact CB-CD1 4.36Å; L280-Y287 HydrophobicContact CB-CD2 4.44Å; L280-Y287 HydrophobicContact CB-CE1 3.9Å; L280-Y287 HydrophobicContact CB-CE2 4Å; L280-Y287 HydrophobicContact CD1-CD2 4.37Å; L280-Y287 HydrophobicContact CD1-CE2 3.76Å; L280-Y287 HydrophobicContact CD2-CD2 4.22Å; L280-Y287 HydrophobicContact CD2-CE2 4.38Å; L280-Y287 HydrophobicContact CG-CE2 4.29Å; H281-Y287 WeakPolarHBondContact O-CD1 3.22Å; D284-Y287 PolarHBondContact O-N 2.79Å; Y287-S289 PolarHBondContact O-N 3.46Å; Y287-S289 VanDerWaalsContact O-N 3.17Å; Y287-I290 PolarHBondContact O-N 2.89Å; Y287-I290 VanDerWaalsContact O-N 3.11Å; Y287-R291 HydrophobicContact CD2-CB 4.06Å; Y287-R291 HydrophobicContact CE1-CB 4.14Å; Y287-R291 HydrophobicContact CE2-CB 3.63Å; Y287-R291 HydrophobicContact CG-CB 4.49Å; Y287-R291 VanDerWaalsContact O-CB 3.3Å; Y287-R291 WeakPolarHBondContact O-CB 3.42Å; Y287-R291 PolarHBondContact O-N 3Å; Y287-H345 AromaticContact CD2-CE1 3.73Å
288A97.2Very high93.1Very high31 Ų3144.7 Ų44.726%0.25625%0.247SC..Hα-helixtrans-56.3-33.4178.200000113.1D284 V286D284-A288 WeakPolarHBondContact O-CB 3.47Å; D284-A288 PolarHBondContact O-N 3Å; V286-A288 PolarHBondContact O-N 3.14Å
289S96.5Very high93Very high43 Ų4347.4 Ų47.430%0.30126%0.257SS..Hα-helixtrans-76.8-27.1-179.6760000113.9P285 V286 Y287 Q293 Q305P285-S289 WeakPolarHBondContact O-CB 3.31Å; P285-S289 PolarHBondContact O-N 2.81Å; P285-S289 VanDerWaalsContact O-N 3.15Å; V286-S289 PolarHBondContact O-N 3.24Å; V286-S289 VanDerWaalsContact O-N 3.1Å; V286-S289 PolarHBondContact O-OG 2.87Å; Y287-S289 PolarHBondContact O-N 3.46Å; Y287-S289 VanDerWaalsContact O-N 3.17Å; S289-Q293 WeakPolarHBondContact O-CG 3.16Å; S289-Q305 PolarHBondContact OG-NE2 3.11Å
290I96.2Very high92.8Very high0 Ų045.4 Ų45.40%026%0.255CS..Hα-helixtrans-110.9-21.9-172.266-176.7000114.5Y247 V286 Y287 D292 Q293 V298 I301 L302 H345Y247-I290 VanDerWaalsContact CB-O 3.24Å; Y247-I290 WeakPolarHBondContact CB-O 3.26Å; Y247-I290 HydrophobicContact CD1-CB 4.46Å; Y247-I290 HydrophobicContact CD1-CD1 3.85Å; Y247-I290 HydrophobicContact CD1-CG1 3.69Å; Y247-I290 HydrophobicContact CE1-CD1 3.53Å; Y247-I290 HydrophobicContact CE1-CG1 3.88Å; Y247-I290 HydrophobicContact CG-CG1 4.4Å; V286-I290 HydrophobicContact CG1-CD1 4.38Å; V286-I290 WeakPolarHBondContact O-CG1 3.44Å; V286-I290 PolarHBondContact O-N 3.05Å; Y287-I290 PolarHBondContact O-N 2.89Å; Y287-I290 VanDerWaalsContact O-N 3.11Å; I290-D292 VanDerWaalsContact C-N 3.29Å; I290-D292 PolarHBondContact O-N 2.97Å; I290-Q293 VanDerWaalsContact O-CB 3.3Å; I290-Q293 WeakPolarHBondContact O-CB 3.27Å; I290-Q293 PolarHBondContact O-N 3.1Å; I290-V298 HydrophobicContact CB-CG1 4.14Å; I290-V298 HydrophobicContact CB-CG2 4.43Å; I290-V298 HydrophobicContact CD1-CG1 4.11Å; I290-V298 HydrophobicContact CG2-CG1 4.31Å; I290-I301 HydrophobicContact CG2-CB 4.44Å; I290-I301 HydrophobicContact CG2-CG2 3.89Å; I290-L302 HydrophobicContact CD1-CD1 4.49Å; I290-L302 HydrophobicContact CD1-CD2 3.93Å; I290-L302 HydrophobicContact CD1-CG 4.44Å; I290-L302 HydrophobicContact CG2-CD2 4.34Å; I290-H345 HydrophobicContact CD1-CB 3.88Å
291R96.4Very high92.6Very high19 Ų1946.8 Ų46.87%0.07226%0.262CS..THydrogen-bonded Turntrans-53.3-41.5-171.865.6-177.6-173.9178.7-0.1114.2D149 D248 Y287 R475D149-R291 IonicContact OD1-NH1 2.77Å; D149-R291 PolarHBondContact OD1-NH1 3.19Å; D149-R291 IonicContact OD2-CZ 2.94Å; D149-R291 IonicContact OD2-NH1 3.17Å; D149-R291 PolarHBondContact OD2-NH1 3.01Å; D248-R291 HydrophobicContact CB-CB 4.29Å; D248-R291 WeakPolarHBondContact CB-O 3.32Å; D248-R291 PolarHBondContact N-O 3.02Å; Y287-R291 HydrophobicContact CD2-CB 4.06Å; Y287-R291 HydrophobicContact CE1-CB 4.14Å; Y287-R291 HydrophobicContact CE2-CB 3.63Å; Y287-R291 HydrophobicContact CG-CB 4.49Å; Y287-R291 VanDerWaalsContact O-CB 3.3Å; Y287-R291 WeakPolarHBondContact O-CB 3.42Å; Y287-R291 PolarHBondContact O-N 3Å; R291-R475 VanDerWaalsContact CZ-NH1 3.34Å
292D95.7Very high92.4Very high33 Ų3344.8 Ų44.818%0.17625%0.253CS..THydrogen-bonded Turntrans-93.80.5-177.8-50.3-50.7000112.1I290 A472 R475I290-D292 VanDerWaalsContact C-N 3.29Å; I290-D292 PolarHBondContact O-N 2.97Å; D292-A472 HydrophobicContact CB-CB 3.9Å; D292-R475 WeakPolarHBondContact OD1-CD 3.5Å; D292-R475 IonicContact OD1-CZ 3.79Å; D292-R475 IonicContact OD1-NH1 3.42Å; D292-R475 PolarHBondContact OD1-NH1 3.28Å; D292-R475 VanDerWaalsContact OD2-CD 3.3Å; D292-R475 WeakPolarHBondContact OD2-CD 3.14Å; D292-R475 IonicContact OD2-NH1 3.91Å
293Q92.5Very high92.3Very high65 Ų6549 Ų4930%0.30427%0.267SS..SBendtrans-79.3150.9-179.5-62.5-66.5-18.100111T246 Y247 S289 I290 F295 V298 I301T246-Q293 CarbonylContact C-O 3.4Å; T246-Q293 VanDerWaalsContact CA-O 3.31Å; T246-Q293 WeakPolarHBondContact CA-O 3.2Å; Y247-Q293 PolarHBondContact N-O 3.27Å; S289-Q293 WeakPolarHBondContact O-CG 3.16Å; I290-Q293 VanDerWaalsContact O-CB 3.3Å; I290-Q293 WeakPolarHBondContact O-CB 3.27Å; I290-Q293 PolarHBondContact O-N 3.1Å; Q293-F295 PolarHBondContact O-N 2.9Å; Q293-V298 HydrophobicContact CB-CG2 4.19Å; Q293-I301 HydrophobicContact CB-CD1 4.3Å; Q293-I301 HydrophobicContact CG-CD1 3.78Å
294H87.6Confident92.3Very high72 Ų7250.6 Ų50.633%0.33326%0.264SS..BIsolated β-bridgetrans-58.5126.9168.9-172.2-74.6000109.6L245 A296 R297L245-H294 CarbonylContact O-C 3.57Å; L245-H294 VanDerWaalsContact O-CA 3.28Å; L245-H294 WeakPolarHBondContact O-CA 3.48Å; H294-A296 WeakPolarHBondContact ND1-CB 3.49Å; H294-A296 PolarHBondContact ND1-N 3.35Å; H294-A296 VanDerWaalsContact ND1-N 3.18Å; H294-A296 PolarHBondContact O-N 3.13Å; H294-R297 WeakPolarHBondContact O-CB 3.17Å; H294-R297 PolarHBondContact O-N 2.79Å
295F85.3Confident92.3Very high14 Ų1451.4 Ų51.46%0.06127%0.267CS..Hα-helixtrans-55.4-34.2-170.760.5-109.7000113.1L245 L250 Q293 R297 V298 M353 F379L245-F295 HydrophobicContact CB-CD1 4.41Å; L245-F295 HydrophobicContact CB-CE1 4.13Å; L245-F295 HydrophobicContact CD2-CE1 3.79Å; L245-F295 HydrophobicContact CD2-CZ 4.38Å; L245-F295 WeakPolarHBondContact O-CD1 3.41Å; L245-F295 PolarHBondContact O-N 3.17Å; L250-F295 HydrophobicContact CB-CB 4.36Å; L250-F295 HydrophobicContact CD2-CB 3.86Å; L250-F295 HydrophobicContact CD2-CG 4.34Å; Q293-F295 PolarHBondContact O-N 2.9Å; F295-R297 PolarHBondContact O-N 2.92Å; F295-V298 WeakPolarHBondContact O-CB 3.33Å; F295-V298 PolarHBondContact O-N 3.15Å; F295-V298 VanDerWaalsContact O-N 3.13Å; F295-M353 HydrophobicContact CD2-CE 4.3Å; F295-M353 HydrophobicContact CD2-SD 3.58Å; F295-M353 VanDerWaalsContact CD2-SD 3.58Å; F295-M353 HydrophobicContact CE2-CE 4.33Å; F295-M353 HydrophobicContact CE2-SD 4.02Å; F295-M353 HydrophobicContact CG-SD 4.49Å; F295-F379 HydrophobicContact CE1-CE1 4.12Å; F295-F379 HydrophobicContact CE1-CZ 4.26Å; F295-F379 HydrophobicContact CZ-CD1 4.34Å; F295-F379 AromaticContact CZ-CE1 3.59Å; F295-F379 HydrophobicContact CZ-CE1 3.59Å; F295-F379 HydrophobicContact CZ-CZ 4.13Å
296A83.8Confident92.3Very high66 Ų6650.1 Ų50.155%0.54526%0.258SS..Hα-helixtrans-63.6-22.2177.900000114.1H294H294-A296 WeakPolarHBondContact ND1-CB 3.49Å; H294-A296 PolarHBondContact ND1-N 3.35Å; H294-A296 VanDerWaalsContact ND1-N 3.18Å; H294-A296 PolarHBondContact O-N 3.13Å
297R86.1Confident92.3Very high171 Ų17155.4 Ų55.465%0.64528%0.282SS*.Hα-helixtrans-89.4-18.9177.2-63.5-175.8-179.4-178.5-0.3112.9H294 F295 F299 G300 I301H294-R297 WeakPolarHBondContact O-CB 3.17Å; H294-R297 PolarHBondContact O-N 2.79Å; F295-R297 PolarHBondContact O-N 2.92Å; R297-F299 VanDerWaalsContact C-N 3.33Å; R297-F299 PolarHBondContact O-N 3.38Å; R297-G300 PolarHBondContact O-N 3.37Å; R297-I301 HydrophobicContact CB-CD1 4.43Å; R297-I301 WeakPolarHBondContact O-CG1 3.4Å; R297-I301 PolarHBondContact O-N 3.16Å; R297-I301 VanDerWaalsContact O-N 3.16Å
298V88Confident92.2Very high0 Ų057.6 Ų57.60%030%0.303CS..Hα-helixtrans-60.5-42.9-171.6174.30000111.6Y247 I290 Q293 F295 G300 I301 L302Y247-V298 HydrophobicContact CD2-CB 4.28Å; Y247-V298 HydrophobicContact CD2-CG1 3.81Å; Y247-V298 HydrophobicContact CD2-CG2 3.9Å; Y247-V298 HydrophobicContact CE2-CG1 4Å; Y247-V298 HydrophobicContact CG-CG1 4.27Å; Y247-V298 HydrophobicContact CG-CG2 3.99Å; I290-V298 HydrophobicContact CB-CG1 4.14Å; I290-V298 HydrophobicContact CB-CG2 4.43Å; I290-V298 HydrophobicContact CD1-CG1 4.11Å; I290-V298 HydrophobicContact CG2-CG1 4.31Å; Q293-V298 HydrophobicContact CB-CG2 4.19Å; F295-V298 WeakPolarHBondContact O-CB 3.33Å; F295-V298 PolarHBondContact O-N 3.15Å; F295-V298 VanDerWaalsContact O-N 3.13Å; V298-G300 VanDerWaalsContact C-N 3.32Å; V298-G300 PolarHBondContact O-N 3.48Å; V298-I301 PolarHBondContact O-N 3.35Å; V298-L302 HydrophobicContact CG1-CD1 3.62Å; V298-L302 HydrophobicContact CG1-CG 4Å; V298-L302 WeakPolarHBondContact O-CB 3.42Å; V298-L302 VanDerWaalsContact O-CG 3.31Å; V298-L302 WeakPolarHBondContact O-CG 3.34Å; V298-L302 PolarHBondContact O-N 3.42Å
299F87.8Confident92Very high102 Ų10256.6 Ų56.645%0.44729%0.293SS..Hα-helixtrans-60.6-41.2180-172.8-95.5000112.4R297 L302 K303 E350R297-F299 VanDerWaalsContact C-N 3.33Å; R297-F299 PolarHBondContact O-N 3.38Å; F299-L302 PolarHBondContact O-N 3.15Å; F299-K303 WeakPolarHBondContact O-CB 3.39Å; F299-K303 PolarHBondContact O-N 2.88Å; F299-E350 HydrophobicContact CE2-CG 4.29Å
300G88.8Confident91.9Very high33 Ų3358.5 Ų58.534%0.3430%0.297SS..Hα-helixtrans-61.5-47.7174.900000112R297 V298 L302 K303 E304R297-G300 PolarHBondContact O-N 3.37Å; V298-G300 VanDerWaalsContact C-N 3.32Å; V298-G300 PolarHBondContact O-N 3.48Å; G300-L302 PolarHBondContact O-N 2.83Å; G300-K303 PolarHBondContact O-N 3.46Å; G300-E304 WeakPolarHBondContact O-CG 3.4Å; G300-E304 PolarHBondContact O-N 3.06Å
301I91.8Very high91.8Very high36 Ų3660.9 Ų60.919%0.18532%0.317CS..Hα-helixtrans-61.3-44.6178.5-62.5168000111.2I290 Q293 R297 V298 K303 E304 Q305I290-I301 HydrophobicContact CG2-CB 4.44Å; I290-I301 HydrophobicContact CG2-CG2 3.89Å; Q293-I301 HydrophobicContact CB-CD1 4.3Å; Q293-I301 HydrophobicContact CG-CD1 3.78Å; R297-I301 HydrophobicContact CB-CD1 4.43Å; R297-I301 WeakPolarHBondContact O-CG1 3.4Å; R297-I301 PolarHBondContact O-N 3.16Å; R297-I301 VanDerWaalsContact O-N 3.16Å; V298-I301 PolarHBondContact O-N 3.35Å; I301-K303 VanDerWaalsContact C-N 3.35Å; I301-E304 PolarHBondContact O-N 3.17Å; I301-Q305 WeakPolarHBondContact O-CG 3.47Å; I301-Q305 PolarHBondContact O-N 2.8Å
302L92.2Very high91.6Very high0 Ų062.6 Ų62.60%033%0.328CS..Hα-helixtrans-65-38.8178.8-72.8175.3000112.1V286 I290 V298 F299 G300 Q305 T306 L342 H345 V346V286-L302 HydrophobicContact CG1-CD2 3.81Å; I290-L302 HydrophobicContact CD1-CD1 4.49Å; I290-L302 HydrophobicContact CD1-CD2 3.93Å; I290-L302 HydrophobicContact CD1-CG 4.44Å; I290-L302 HydrophobicContact CG2-CD2 4.34Å; V298-L302 HydrophobicContact CG1-CD1 3.62Å; V298-L302 HydrophobicContact CG1-CG 4Å; V298-L302 WeakPolarHBondContact O-CB 3.42Å; V298-L302 VanDerWaalsContact O-CG 3.31Å; V298-L302 WeakPolarHBondContact O-CG 3.34Å; V298-L302 PolarHBondContact O-N 3.42Å; F299-L302 PolarHBondContact O-N 3.15Å; G300-L302 PolarHBondContact O-N 2.83Å; L302-Q305 PolarHBondContact O-N 3.26Å; L302-T306 WeakPolarHBondContact O-CB 3.45Å; L302-T306 PolarHBondContact O-N 3.43Å; L302-T306 PolarHBondContact O-OG1 3.48Å; L302-L342 HydrophobicContact CD2-CD2 3.71Å; L302-H345 HydrophobicContact CD1-CB 4.06Å; L302-H345 HydrophobicContact CD2-CB 3.97Å; L302-V346 HydrophobicContact CB-CG2 3.9Å; L302-V346 HydrophobicContact CD1-CG2 4.01Å; L302-V346 HydrophobicContact CG-CG2 4.46Å
303K92.4Very high91.4Very high117 Ų11761.7 Ų61.751%0.50932%0.322SS..Hα-helixtrans-62.4-49.3175.7-178.2179.9173-176.10111.1F299 G300 I301 Q305 T306 E307F299-K303 WeakPolarHBondContact O-CB 3.39Å; F299-K303 PolarHBondContact O-N 2.88Å; G300-K303 PolarHBondContact O-N 3.46Å; I301-K303 VanDerWaalsContact C-N 3.35Å; K303-Q305 VanDerWaalsContact C-N 3.34Å; K303-Q305 PolarHBondContact O-N 3.19Å; K303-T306 WeakPolarHBondContact O-CB 3.22Å; K303-T306 PolarHBondContact O-N 2.88Å; K303-T306 VanDerWaalsContact O-N 3.11Å; K303-E307 WeakPolarHBondContact CE-OE1 3.37Å; K303-E307 IonicContact NZ-OE1 2.68Å; K303-E307 WeakPolarHBondContact O-CG 3.32Å; K303-E307 PolarHBondContact O-N 3.06Å
304E96Very high91.3Very high130 Ų13061.8 Ų61.861%0.60732%0.324SS*.Hα-helixtrans-58.4-44.4176.9-71.5172.2-170.600111.8G300 I301 T306 E307 A308G300-E304 WeakPolarHBondContact O-CG 3.4Å; G300-E304 PolarHBondContact O-N 3.06Å; I301-E304 PolarHBondContact O-N 3.17Å; E304-T306 VanDerWaalsContact C-N 3.32Å; E304-T306 PolarHBondContact O-N 3.39Å; E304-E307 PolarHBondContact O-N 3.19Å; E304-A308 WeakPolarHBondContact O-CB 3.44Å; E304-A308 PolarHBondContact O-N 2.78Å
305Q96.2Very high91.4Very high57 Ų5763.3 Ų63.327%0.26633%0.33SS..Hα-helixtrans-65.1-34.8176.2-71.5-17721.400112.5S289 I301 L302 K303 L309 L342S289-Q305 PolarHBondContact OG-NE2 3.11Å; I301-Q305 WeakPolarHBondContact O-CG 3.47Å; I301-Q305 PolarHBondContact O-N 2.8Å; L302-Q305 PolarHBondContact O-N 3.26Å; K303-Q305 VanDerWaalsContact C-N 3.34Å; K303-Q305 PolarHBondContact O-N 3.19Å; Q305-L309 VanDerWaalsContact O-CB 3.26Å; Q305-L309 WeakPolarHBondContact O-CB 3.15Å; Q305-L309 PolarHBondContact O-N 2.85Å; Q305-L342 HydrophobicContact CB-CD1 4.27Å; Q305-L342 HydrophobicContact CB-CD2 3.71Å
306T94.2Very high91.4Very high47 Ų4767.9 Ų67.929%0.28835%0.347SS..Hα-helixtrans-67.4-44.1176.8-59.60000111.4L302 K303 E304 L309 Q310L302-T306 WeakPolarHBondContact O-CB 3.45Å; L302-T306 PolarHBondContact O-N 3.43Å; L302-T306 PolarHBondContact O-OG1 3.48Å; K303-T306 WeakPolarHBondContact O-CB 3.22Å; K303-T306 PolarHBondContact O-N 2.88Å; K303-T306 VanDerWaalsContact O-N 3.11Å; E304-T306 VanDerWaalsContact C-N 3.32Å; E304-T306 PolarHBondContact O-N 3.39Å; T306-L309 PolarHBondContact O-N 2.74Å; T306-Q310 WeakPolarHBondContact O-CB 3.43Å; T306-Q310 PolarHBondContact O-N 3.42Å
307E96.1Very high91.6Very high115 Ų11570.7 Ų70.754%0.53735%0.349SS..Hα-helixtrans-64.7-43.3176.5-70.2172.5179.800111.5K303 E304 L309 Q310 A311K303-E307 WeakPolarHBondContact CE-OE1 3.37Å; K303-E307 IonicContact NZ-OE1 2.68Å; K303-E307 WeakPolarHBondContact O-CG 3.32Å; K303-E307 PolarHBondContact O-N 3.06Å; E304-E307 PolarHBondContact O-N 3.19Å; E307-L309 PolarHBondContact O-N 3.33Å; E307-Q310 PolarHBondContact O-N 2.91Å; E307-A311 PolarHBondContact O-N 3.39Å
308A95.1Very high91.7Very high58 Ų5870.5 Ų70.548%0.47936%0.355SS..Hα-helixtrans-62.1-42.817500000112.3E304 Q310 A311 D312E304-A308 WeakPolarHBondContact O-CB 3.44Å; E304-A308 PolarHBondContact O-N 2.78Å; A308-Q310 VanDerWaalsContact C-N 3.34Å; A308-A311 PolarHBondContact O-N 3.39Å; A308-D312 PolarHBondContact O-N 3.36Å; A308-D312 VanDerWaalsContact O-N 3.12Å
309L94.3Very high91.8Very high10 Ų1073.7 Ų73.75%0.05237%0.369CS..Hα-helixtrans-65.3-39.2177.6-173.569.4000111.7Q305 T306 E307 A311 D312 F313 L335 Q338 Q339 L342Q305-L309 VanDerWaalsContact O-CB 3.26Å; Q305-L309 WeakPolarHBondContact O-CB 3.15Å; Q305-L309 PolarHBondContact O-N 2.85Å; T306-L309 PolarHBondContact O-N 2.74Å; E307-L309 PolarHBondContact O-N 3.33Å; L309-A311 VanDerWaalsContact C-N 3.35Å; L309-D312 WeakPolarHBondContact O-CB 3.25Å; L309-D312 PolarHBondContact O-N 3.13Å; L309-F313 HydrophobicContact CD1-CE2 4.37Å; L309-F313 HydrophobicContact CD2-CE2 4.31Å; L309-F313 HydrophobicContact CG-CD2 4.21Å; L309-F313 HydrophobicContact CG-CE2 4.02Å; L309-F313 VanDerWaalsContact O-CD2 3.31Å; L309-F313 WeakPolarHBondContact O-CD2 3.4Å; L309-F313 PolarHBondContact O-N 3.24Å; L309-L335 HydrophobicContact CD1-CB 4.25Å; L309-L335 HydrophobicContact CD1-CD2 3.37Å; L309-L335 HydrophobicContact CD1-CG 4.4Å; L309-Q338 HydrophobicContact CD1-CB 4.14Å; L309-Q338 HydrophobicContact CD2-CB 4.15Å; L309-Q339 HydrophobicContact CD2-CB 3.65Å; L309-Q339 HydrophobicContact CD2-CG 4.21Å; L309-L342 HydrophobicContact CB-CD1 4.22Å; L309-L342 HydrophobicContact CD2-CD1 3.67Å
310Q93.6Very high92Very high83 Ų8373.1 Ų73.139%0.38837%0.371SS..Hα-helixtrans-63.2-42.2176.1-174.756.345.100111.3T306 E307 A308 D312 F313 D314T306-Q310 WeakPolarHBondContact O-CB 3.43Å; T306-Q310 PolarHBondContact O-N 3.42Å; E307-Q310 PolarHBondContact O-N 2.91Å; A308-Q310 VanDerWaalsContact C-N 3.34Å; Q310-D312 VanDerWaalsContact C-N 3.28Å; Q310-D312 PolarHBondContact O-N 3.47Å; Q310-F313 WeakPolarHBondContact O-CB 3.29Å; Q310-F313 PolarHBondContact O-N 3.18Å; Q310-F313 VanDerWaalsContact O-N 3.1Å; Q310-D314 PolarHBondContact NE2-OD1 3.4Å; Q310-D314 VanDerWaalsContact NE2-OD1 3.14Å; Q310-D314 PolarHBondContact NE2-OD2 2.8Å; Q310-D314 VanDerWaalsContact O-CG 3.31Å; Q310-D314 PolarHBondContact O-N 3.22Å
311A93.7Very high92Very high50 Ų5077.8 Ų77.841%0.41339%0.392SS..Hα-helixtrans-60.1-37.7174.100000112.4E307 A308 L309 D314 K315E307-A311 PolarHBondContact O-N 3.39Å; A308-A311 PolarHBondContact O-N 3.39Å; L309-A311 VanDerWaalsContact C-N 3.35Å; A311-D314 PolarHBondContact O-N 3.34Å; A311-K315 WeakPolarHBondContact O-CG 3.15Å; A311-K315 PolarHBondContact O-N 3.28Å; A311-K315 VanDerWaalsContact O-N 3.12Å
312D91.5Very high91.9Very high56 Ų5678.3 Ų78.330%0.29941%0.406SS..Hα-helixtrans-66-35.2174.4-83.1-13000113.1A308 L309 Q310 K315 L335A308-D312 PolarHBondContact O-N 3.36Å; A308-D312 VanDerWaalsContact O-N 3.12Å; L309-D312 WeakPolarHBondContact O-CB 3.25Å; L309-D312 PolarHBondContact O-N 3.13Å; Q310-D312 VanDerWaalsContact C-N 3.28Å; Q310-D312 PolarHBondContact O-N 3.47Å; D312-K315 WeakPolarHBondContact OD1-CE 3.43Å; D312-K315 IonicContact OD1-NZ 2.69Å; D312-K315 PolarHBondContact OD1-NZ 3.17Å; D312-L335 HydrophobicContact CB-CD2 4Å
313F91.7Very high91.8Very high13 Ų1382.5 Ų82.56%0.05743%0.426CS..Hα-helixtrans-66.3-40.2169.9-85.1-74.2000111.7L309 Q310 K315 R316 L332 L335 K336 Q339L309-F313 HydrophobicContact CD1-CE2 4.37Å; L309-F313 HydrophobicContact CD2-CE2 4.31Å; L309-F313 HydrophobicContact CG-CD2 4.21Å; L309-F313 HydrophobicContact CG-CE2 4.02Å; L309-F313 VanDerWaalsContact O-CD2 3.31Å; L309-F313 WeakPolarHBondContact O-CD2 3.4Å; L309-F313 PolarHBondContact O-N 3.24Å; Q310-F313 WeakPolarHBondContact O-CB 3.29Å; Q310-F313 PolarHBondContact O-N 3.18Å; Q310-F313 VanDerWaalsContact O-N 3.1Å; F313-K315 VanDerWaalsContact C-N 3.3Å; F313-K315 PolarHBondContact O-N 3.06Å; F313-R316 WeakPolarHBondContact O-CB 3.35Å; F313-R316 WeakPolarHBondContact O-CD 3.19Å; F313-R316 WeakPolarHBondContact O-CG 3.14Å; F313-R316 PolarHBondContact O-N 3.08Å; F313-L332 HydrophobicContact CE1-CD1 3.9Å; F313-L335 HydrophobicContact CE1-CB 4.19Å; F313-L335 HydrophobicContact CE2-CB 3.88Å; F313-L335 HydrophobicContact CZ-CB 3.61Å; F313-K336 HydrophobicContact CZ-CG 4.41Å; F313-Q339 VanDerWaalsContact CE2-OE1 3.23Å
314D91.8Very high91.6Very high67 Ų6780.6 Ų80.636%0.35842%0.421SS..Hα-helixtrans-71.9-23-175-67.8-29000113.4Q310 A311 R316 H317Q310-D314 PolarHBondContact NE2-OD1 3.4Å; Q310-D314 VanDerWaalsContact NE2-OD1 3.14Å; Q310-D314 PolarHBondContact NE2-OD2 2.8Å; Q310-D314 VanDerWaalsContact O-CG 3.31Å; Q310-D314 PolarHBondContact O-N 3.22Å; A311-D314 PolarHBondContact O-N 3.34Å; D314-R316 PolarHBondContact O-N 3.38Å; D314-R316 VanDerWaalsContact O-N 3.08Å; D314-H317 WeakPolarHBondContact CA-ND1 3.45Å; D314-H317 WeakPolarHBondContact O-CB 3.4Å; D314-H317 PolarHBondContact O-N 2.95Å; D314-H317 PolarHBondContact O-ND1 3.14Å; D314-H317 IonicContact OD1-CE1 3.83Å; D314-H317 PolarHBondContact OD1-CE1 2.89Å; D314-H317 IonicContact OD1-ND1 4Å
315K88.9Confident91.3Very high104 Ų10480.9 Ų80.945%0.45242%0.42SS..G310 helixtrans-52.5-29169.3-73.1172.6-173.9165.80112.8A311 D312 F313 H317 Q318 F319A311-K315 WeakPolarHBondContact O-CG 3.15Å; A311-K315 PolarHBondContact O-N 3.28Å; A311-K315 VanDerWaalsContact O-N 3.12Å; D312-K315 WeakPolarHBondContact OD1-CE 3.43Å; D312-K315 IonicContact OD1-NZ 2.69Å; D312-K315 PolarHBondContact OD1-NZ 3.17Å; F313-K315 VanDerWaalsContact C-N 3.3Å; F313-K315 PolarHBondContact O-N 3.06Å; K315-H317 PolarHBondContact O-N 3.4Å; K315-H317 VanDerWaalsContact O-N 3.16Å; K315-Q318 PolarHBondContact O-N 3.46Å; K315-F319 HydrophobicContact CB-CE1 4.09Å; K315-F319 HydrophobicContact CB-CZ 3.86Å; K315-F319 WeakPolarHBondContact O-CD1 3.44Å; K315-F319 WeakPolarHBondContact O-CE1 3.17Å
316R84.9Confident91Very high111 Ų11185 Ų8542%0.41944%0.44SS..G310 helixtrans-60.4-26.4178.984.1-167.7177.9179.8-2.5113.8F313 D314 Q318 F319 L324 F327F313-R316 WeakPolarHBondContact O-CB 3.35Å; F313-R316 WeakPolarHBondContact O-CD 3.19Å; F313-R316 WeakPolarHBondContact O-CG 3.14Å; F313-R316 PolarHBondContact O-N 3.08Å; D314-R316 PolarHBondContact O-N 3.38Å; D314-R316 VanDerWaalsContact O-N 3.08Å; R316-Q318 PolarHBondContact O-N 3.22Å; R316-F319 HydrophobicContact CB-CD2 4.18Å; R316-F319 HydrophobicContact CB-CE2 4.27Å; R316-F319 PolarHBondContact O-N 3.4Å; R316-L324 HydrophobicContact CB-CD1 4.42Å; R316-F327 HydrophobicContact CB-CD1 4.48Å; R316-F327 HydrophobicContact CB-CE1 4.19Å; R316-F327 HydrophobicContact CB-CZ 4.47Å
317H88.4Confident90.8Very high125 Ų12583.8 Ų83.858%0.57943%0.43SS*.G310 helixtrans-71.7-13.7179.8-56.4107000112D314 K315D314-H317 WeakPolarHBondContact CA-ND1 3.45Å; D314-H317 WeakPolarHBondContact O-CB 3.4Å; D314-H317 PolarHBondContact O-N 2.95Å; D314-H317 PolarHBondContact O-ND1 3.14Å; D314-H317 IonicContact OD1-CE1 3.83Å; D314-H317 PolarHBondContact OD1-CE1 2.89Å; D314-H317 IonicContact OD1-ND1 4Å; K315-H317 PolarHBondContact O-N 3.4Å; K315-H317 VanDerWaalsContact O-N 3.16Å
318Q88.2Confident90.4Very high166 Ų16682.1 Ų82.178%0.77643%0.428SS*.G310 helixtrans-102.2-1.6178.8-58.6176.95.700112.8K315 R316K315-Q318 PolarHBondContact O-N 3.46Å; R316-Q318 PolarHBondContact O-N 3.22Å
319F90.1Very high90.1Very high67 Ų6787.2 Ų87.229%0.29444%0.439SS..  trans-81.3139.3-174.6-68.3-13.5000112.6K315 R316 Q323 L324 F327K315-F319 HydrophobicContact CB-CE1 4.09Å; K315-F319 HydrophobicContact CB-CZ 3.86Å; K315-F319 WeakPolarHBondContact O-CD1 3.44Å; K315-F319 WeakPolarHBondContact O-CE1 3.17Å; R316-F319 HydrophobicContact CB-CD2 4.18Å; R316-F319 HydrophobicContact CB-CE2 4.27Å; R316-F319 PolarHBondContact O-N 3.4Å; F319-Q323 HydrophobicContact CB-CB 3.75Å; F319-Q323 HydrophobicContact CD1-CB 4.19Å; F319-Q323 HydrophobicContact CD2-CB 4.45Å; F319-Q323 HydrophobicContact CG-CB 3.88Å; F319-L324 HydrophobicContact CB-CB 4.25Å; F319-L324 HydrophobicContact CD2-CD1 4.49Å; F319-F327 HydrophobicContact CD2-CB 3.91Å; F319-F327 HydrophobicContact CD2-CG 4.19Å; F319-F327 HydrophobicContact CE2-CB 3.63Å; F319-F327 HydrophobicContact CE2-CD1 4.41Å; F319-F327 AromaticContact CE2-CD2 3.57Å; F319-F327 HydrophobicContact CE2-CD2 3.57Å; F319-F327 HydrophobicContact CE2-CE2 4.28Å; F319-F327 AromaticContact CE2-CG 3.63Å; F319-F327 HydrophobicContact CE2-CG 3.63Å; F319-F327 HydrophobicContact CZ-CD2 4.3Å
320D92.3Very high89.6Confident90 Ų9089.3 Ų89.348%0.48146%0.463SS..  trans-69.5172.6161.771.240.7000111.2G322 Q323 L324D320-G322 PolarHBondContact O-N 2.78Å; D320-G322 VanDerWaalsContact OD1-CA 3.29Å; D320-G322 WeakPolarHBondContact OD1-CA 3.36Å; D320-G322 PolarHBondContact OD1-N 2.88Å; D320-Q323 PolarHBondContact O-N 3.36Å; D320-Q323 WeakPolarHBondContact OD1-CG 3.07Å; D320-Q323 PolarHBondContact OD1-N 3.14Å; D320-L324 VanDerWaalsContact O-CB 3.29Å; D320-L324 WeakPolarHBondContact O-CB 3.47Å; D320-L324 PolarHBondContact O-N 3.41Å
321V88.3Confident89.3Confident131 Ų13187 Ų8779%0.79446%0.456SS*.Hα-helixtrans-59.8-33.6-177.8-178.70000112.4K325V321-K325 PolarHBondContact O-N 3.05Å
322G89.9Confident89.2Confident47 Ų4786.3 Ų86.349%0.48545%0.445SS..Hα-helixtrans-71.6-50.4178.700000112.1D320 L324 K325 E326D320-G322 PolarHBondContact O-N 2.78Å; D320-G322 VanDerWaalsContact OD1-CA 3.29Å; D320-G322 WeakPolarHBondContact OD1-CA 3.36Å; D320-G322 PolarHBondContact OD1-N 2.88Å; G322-L324 VanDerWaalsContact C-N 3.3Å; G322-L324 PolarHBondContact O-N 3.25Å; G322-K325 WeakPolarHBondContact O-CB 3.31Å; G322-K325 PolarHBondContact O-N 3.49Å; G322-K325 VanDerWaalsContact O-N 3.17Å; G322-E326 PolarHBondContact O-N 3.08Å
323Q89.7Confident89.1Confident89 Ų8990.9 Ų90.942%0.41646%0.463SS..Hα-helixtrans-60-39.6175.6-69.1175.7-15.500111.6F319 D320 K325 E326 F327F319-Q323 HydrophobicContact CB-CB 3.75Å; F319-Q323 HydrophobicContact CD1-CB 4.19Å; F319-Q323 HydrophobicContact CD2-CB 4.45Å; F319-Q323 HydrophobicContact CG-CB 3.88Å; D320-Q323 PolarHBondContact O-N 3.36Å; D320-Q323 WeakPolarHBondContact OD1-CG 3.07Å; D320-Q323 PolarHBondContact OD1-N 3.14Å; Q323-K325 VanDerWaalsContact C-N 3.34Å; Q323-K325 PolarHBondContact O-N 3.37Å; Q323-E326 PolarHBondContact O-N 2.96Å; Q323-F327 WeakPolarHBondContact O-CB 3.25Å; Q323-F327 PolarHBondContact O-N 3.25Å
324L89.2Confident89.1Confident76 Ų7696.9 Ų96.940%0.39849%0.485SS..Hα-helixtrans-63.5-41.2176.4-171.268.8000111.4R316 F319 D320 G322 F327 V328R316-L324 HydrophobicContact CB-CD1 4.42Å; F319-L324 HydrophobicContact CB-CB 4.25Å; F319-L324 HydrophobicContact CD2-CD1 4.49Å; D320-L324 VanDerWaalsContact O-CB 3.29Å; D320-L324 WeakPolarHBondContact O-CB 3.47Å; D320-L324 PolarHBondContact O-N 3.41Å; G322-L324 VanDerWaalsContact C-N 3.3Å; G322-L324 PolarHBondContact O-N 3.25Å; L324-F327 PolarHBondContact O-N 2.86Å; L324-V328 VanDerWaalsContact O-CG2 3.28Å; L324-V328 WeakPolarHBondContact O-CG2 3.43Å; L324-V328 PolarHBondContact O-N 3.03Å
325K89.9Confident89.1Confident136 Ų13693.9 Ų93.959%0.59147%0.469SS*.Hα-helixtrans-65.2-39.5176.9-169.8177.2-176.6177.60111.8V321 G322 Q323 K329V321-K325 PolarHBondContact O-N 3.05Å; G322-K325 WeakPolarHBondContact O-CB 3.31Å; G322-K325 PolarHBondContact O-N 3.49Å; G322-K325 VanDerWaalsContact O-N 3.17Å; Q323-K325 VanDerWaalsContact C-N 3.34Å; Q323-K325 PolarHBondContact O-N 3.37Å; K325-K329 WeakPolarHBondContact O-CB 3.25Å; K325-K329 WeakPolarHBondContact O-CG 3.44Å; K325-K329 PolarHBondContact O-N 3Å; K325-K329 VanDerWaalsContact O-N 3.15Å
326E88.9Confident89.3Confident145 Ų14594.5 Ų94.568%0.67847%0.471SS*.Hα-helixtrans-66.8-44.6175.5-172.1170.6-169.200111.8G322 Q323 V328 K329 G330G322-E326 PolarHBondContact O-N 3.08Å; Q323-E326 PolarHBondContact O-N 2.96Å; E326-V328 PolarHBondContact O-N 2.61Å; E326-K329 PolarHBondContact O-N 3.5Å; E326-G330 PolarHBondContact O-N 3.21Å
327F89.7Confident89.6Confident20 Ų2094.2 Ų94.29%0.08848%0.475CS..Hα-helixtrans-57.9-46.4175.6175.4-99000112.7R316 F319 Q323 L324 K329 S331 L332 L335R316-F327 HydrophobicContact CB-CD1 4.48Å; R316-F327 HydrophobicContact CB-CE1 4.19Å; R316-F327 HydrophobicContact CB-CZ 4.47Å; F319-F327 HydrophobicContact CD2-CB 3.91Å; F319-F327 HydrophobicContact CD2-CG 4.19Å; F319-F327 HydrophobicContact CE2-CB 3.63Å; F319-F327 HydrophobicContact CE2-CD1 4.41Å; F319-F327 AromaticContact CE2-CD2 3.57Å; F319-F327 HydrophobicContact CE2-CD2 3.57Å; F319-F327 HydrophobicContact CE2-CE2 4.28Å; F319-F327 AromaticContact CE2-CG 3.63Å; F319-F327 HydrophobicContact CE2-CG 3.63Å; F319-F327 HydrophobicContact CZ-CD2 4.3Å; Q323-F327 WeakPolarHBondContact O-CB 3.25Å; Q323-F327 PolarHBondContact O-N 3.25Å; L324-F327 PolarHBondContact O-N 2.86Å; F327-K329 VanDerWaalsContact C-N 3.33Å; F327-K329 PolarHBondContact O-N 2.77Å; F327-S331 PolarHBondContact O-N 2.94Å; F327-L332 HydrophobicContact CE1-CB 4.31Å; F327-L332 HydrophobicContact CE1-CD1 4.03Å; F327-L332 HydrophobicContact CZ-CD1 4.5Å; F327-L332 PolarHBondContact O-N 3.47Å; F327-L335 HydrophobicContact CE2-CD1 3.45Å; F327-L335 VanDerWaalsContact CE2-CD1 3.45Å; F327-L335 HydrophobicContact CZ-CD1 3.57Å
328V88.8Confident89.8Confident80 Ų8091 Ų9149%0.48546%0.46SS..Hα-helixtrans-63.5-39.6178.3171.30000111.3L324 E326 L332L324-V328 VanDerWaalsContact O-CG2 3.28Å; L324-V328 WeakPolarHBondContact O-CG2 3.43Å; L324-V328 PolarHBondContact O-N 3.03Å; E326-V328 PolarHBondContact O-N 2.61Å; V328-L332 HydrophobicContact CG1-CD2 4.27Å; V328-L332 HydrophobicContact CG2-CD2 4.33Å
329K88Confident90.1Very high166 Ų16686 Ų8672%0.72244%0.437SS*.Hα-helixtrans-73.3-41.7-179.7-77.5-176174.2-167.80113.5K325 E326 F327K325-K329 WeakPolarHBondContact O-CB 3.25Å; K325-K329 WeakPolarHBondContact O-CG 3.44Å; K325-K329 PolarHBondContact O-N 3Å; K325-K329 VanDerWaalsContact O-N 3.15Å; E326-K329 PolarHBondContact O-N 3.5Å; F327-K329 VanDerWaalsContact C-N 3.33Å; F327-K329 PolarHBondContact O-N 2.77Å
330G83.6Confident90.2Very high53 Ų5389.4 Ų89.455%0.54645%0.453SS..Hα-helixtrans-102.6-44-170.300000115.2E326E326-G330 PolarHBondContact O-N 3.21Å
331S88.9Confident90.2Very high36 Ų3685.5 Ų85.525%0.25243%0.433SS..THydrogen-bonded Turntrans-102.2-35.9-165.7-63.60000113.4F327 K333 R334 L335F327-S331 PolarHBondContact O-N 2.94Å; S331-K333 VanDerWaalsContact C-N 3.33Å; S331-K333 PolarHBondContact O-N 3.01Å; S331-R334 PolarHBondContact O-N 2.9Å; S331-R334 VanDerWaalsContact O-N 3.13Å; S331-L335 WeakPolarHBondContact O-CG 3.41Å; S331-L335 PolarHBondContact O-N 2.64Å
332L89.7Confident90.5Very high34 Ų3479.5 Ų79.518%0.17840%0.397CS..Hα-helixtrans-58.4-41.4-170.7-178.462.5000113.3F313 F327 V328 K336F313-L332 HydrophobicContact CE1-CD1 3.9Å; F327-L332 HydrophobicContact CE1-CB 4.31Å; F327-L332 HydrophobicContact CE1-CD1 4.03Å; F327-L332 HydrophobicContact CZ-CD1 4.5Å; F327-L332 PolarHBondContact O-N 3.47Å; V328-L332 HydrophobicContact CG1-CD2 4.27Å; V328-L332 HydrophobicContact CG2-CD2 4.33Å; L332-K336 HydrophobicContact CD1-CD 4.4Å; L332-K336 HydrophobicContact CD1-CG 4.3Å; L332-K336 HydrophobicContact CG-CD 4.35Å; L332-K336 WeakPolarHBondContact O-CB 3.45Å; L332-K336 WeakPolarHBondContact O-CG 3.41Å; L332-K336 PolarHBondContact O-N 2.67Å
333K91.2Very high90.5Very high153 Ų15381.9 Ų81.967%0.66540%0.398SS*.Hα-helixtrans-62.7-46.4178.5-175.4-179.4176.9-175.70111.3S331 K336 Q337S331-K333 VanDerWaalsContact C-N 3.33Å; S331-K333 PolarHBondContact O-N 3.01Å; K333-K336 PolarHBondContact O-N 3.34Å; K333-Q337 WeakPolarHBondContact O-CG 3.45Å; K333-Q337 PolarHBondContact O-N 2.95Å
334R91.1Very high90.6Very high138 Ų13879.6 Ų79.652%0.52139%0.389SS..Hα-helixtrans-62.1-47.2178.3-176.4-177.469.1-160-0.4111.3S331 K336 Q337 Q338S331-R334 PolarHBondContact O-N 2.9Å; S331-R334 VanDerWaalsContact O-N 3.13Å; R334-K336 PolarHBondContact O-N 3.25Å; R334-Q337 PolarHBondContact O-N 2.85Å; R334-Q338 WeakPolarHBondContact O-CG 3.35Å; R334-Q338 PolarHBondContact O-N 3.4Å
335L92.2Very high90.7Very high4 Ų476 Ų762%0.02137%0.37CS..Hα-helixtrans-62.7-41.5179.1-66.7171.8000111.8L309 D312 F313 F327 S331 Q337 Q338 Q339L309-L335 HydrophobicContact CD1-CB 4.25Å; L309-L335 HydrophobicContact CD1-CD2 3.37Å; L309-L335 HydrophobicContact CD1-CG 4.4Å; D312-L335 HydrophobicContact CB-CD2 4Å; F313-L335 HydrophobicContact CE1-CB 4.19Å; F313-L335 HydrophobicContact CE2-CB 3.88Å; F313-L335 HydrophobicContact CZ-CB 3.61Å; F327-L335 HydrophobicContact CE2-CD1 3.45Å; F327-L335 VanDerWaalsContact CE2-CD1 3.45Å; F327-L335 HydrophobicContact CZ-CD1 3.57Å; S331-L335 WeakPolarHBondContact O-CG 3.41Å; S331-L335 PolarHBondContact O-N 2.64Å; L335-Q337 PolarHBondContact O-N 3.32Å; L335-Q338 PolarHBondContact O-N 3.38Å; L335-Q339 WeakPolarHBondContact O-CB 3.5Å; L335-Q339 PolarHBondContact O-N 3.41Å
336K92.2Very high90.6Very high117 Ų11771 Ų7151%0.50935%0.351SS..Hα-helixtrans-63.1-40.6174.8-77.5-176.6176-175.40112.7F313 L332 K333 R334 Q339 Q340F313-K336 HydrophobicContact CZ-CG 4.41Å; L332-K336 HydrophobicContact CD1-CD 4.4Å; L332-K336 HydrophobicContact CD1-CG 4.3Å; L332-K336 HydrophobicContact CG-CD 4.35Å; L332-K336 WeakPolarHBondContact O-CB 3.45Å; L332-K336 WeakPolarHBondContact O-CG 3.41Å; L332-K336 PolarHBondContact O-N 2.67Å; K333-K336 PolarHBondContact O-N 3.34Å; R334-K336 PolarHBondContact O-N 3.25Å; K336-Q339 PolarHBondContact O-N 3.48Å; K336-Q340 WeakPolarHBondContact O-CG 3.32Å; K336-Q340 PolarHBondContact O-N 3.02Å
337Q91.8Very high90.5Very high106 Ų10664.4 Ų64.450%0.49532%0.321SS..Hα-helixtrans-63.9-44.5175.7-74.1173.7-30.600111.3K333 R334 L335 Q339 Q340 S341K333-Q337 WeakPolarHBondContact O-CG 3.45Å; K333-Q337 PolarHBondContact O-N 2.95Å; R334-Q337 PolarHBondContact O-N 2.85Å; L335-Q337 PolarHBondContact O-N 3.32Å; Q337-Q339 VanDerWaalsContact C-N 3.33Å; Q337-Q339 PolarHBondContact O-N 3.11Å; Q337-Q340 PolarHBondContact O-N 3.37Å; Q337-S341 PolarHBondContact O-N 2.92Å
338Q92.8Very high90.4Very high58 Ų5863.4 Ų63.427%0.27132%0.317SS..Hα-helixtrans-61.4-40.8174.1-74.5177.9-33.400111.9L309 R334 L335 Q340 S341 L342L309-Q338 HydrophobicContact CD1-CB 4.14Å; L309-Q338 HydrophobicContact CD2-CB 4.15Å; R334-Q338 WeakPolarHBondContact O-CG 3.35Å; R334-Q338 PolarHBondContact O-N 3.4Å; L335-Q338 PolarHBondContact O-N 3.38Å; Q338-Q340 PolarHBondContact O-N 3.24Å; Q338-S341 PolarHBondContact O-N 3.33Å; Q338-L342 WeakPolarHBondContact O-CB 3.48Å; Q338-L342 WeakPolarHBondContact O-CG 3.46Å; Q338-L342 PolarHBondContact O-N 3.31Å
339Q93.4Very high90.2Very high61 Ų6159.8 Ų59.829%0.28530%0.295SS..Hα-helixtrans-64.2-40.6177.3-167.3151.23300112.4L309 F313 L335 K336 Q337 N343L309-Q339 HydrophobicContact CD2-CB 3.65Å; L309-Q339 HydrophobicContact CD2-CG 4.21Å; F313-Q339 VanDerWaalsContact CE2-OE1 3.23Å; L335-Q339 WeakPolarHBondContact O-CB 3.5Å; L335-Q339 PolarHBondContact O-N 3.41Å; K336-Q339 PolarHBondContact O-N 3.48Å; Q337-Q339 VanDerWaalsContact C-N 3.33Å; Q337-Q339 PolarHBondContact O-N 3.11Å; Q339-N343 WeakPolarHBondContact O-CB 3.34Å; Q339-N343 PolarHBondContact O-N 3.36Å; Q339-N343 PolarHBondContact O-ND2 3.45Å
340Q92.2Very high89.9Confident137 Ų13756.5 Ų56.564%0.6428%0.282SS*.Hα-helixtrans-62.8-44.2175.1-73.7174.2-9.900111.6K336 Q337 Q338 L344K336-Q340 WeakPolarHBondContact O-CG 3.32Å; K336-Q340 PolarHBondContact O-N 3.02Å; Q337-Q340 PolarHBondContact O-N 3.37Å; Q338-Q340 PolarHBondContact O-N 3.24Å; Q340-L344 VanDerWaalsContact O-CB 3.31Å; Q340-L344 WeakPolarHBondContact O-CB 3.26Å; Q340-L344 PolarHBondContact O-N 3.29Å
341S93Very high89.7Confident9 Ų955.4 Ų55.46%0.06327%0.265CS..Hα-helixtrans-64.9-44.9177.3176.80000112.5D284 V286 Q337 Q338 L344 H345D284-S341 PolarHBondContact OD1-OG 2.78Å; D284-S341 VanDerWaalsContact OD1-OG 3.06Å; D284-S341 WeakPolarHBondContact OD2-CB 3.33Å; D284-S341 PolarHBondContact OD2-OG 3.03Å; V286-S341 WeakPolarHBondContact CB-OG 3.44Å; Q337-S341 PolarHBondContact O-N 2.92Å; Q338-S341 PolarHBondContact O-N 3.33Å; S341-L344 WeakPolarHBondContact O-CB 3.38Å; S341-L344 PolarHBondContact O-N 2.88Å; S341-H345 PolarHBondContact O-CD2 3.44Å; S341-H345 VanDerWaalsContact O-CD2 3.25Å; S341-H345 PolarHBondContact O-N 2.96Å; S341-H345 PolarHBondContact OG-CD2 2.82Å
342L93.6Very high88.8Confident5 Ų553.7 Ų53.73%0.02625%0.253CS..Hα-helixtrans-59.3-50.4175.4-77.3171.9000111.8V286 L302 Q305 L309 Q338 L344 H345 V346V286-L342 HydrophobicContact CG1-CD2 3.68Å; V286-L342 HydrophobicContact CG1-CG 4.29Å; V286-L342 HydrophobicContact CG2-CD2 4.03Å; V286-L342 HydrophobicContact CG2-CG 3.96Å; L302-L342 HydrophobicContact CD2-CD2 3.71Å; Q305-L342 HydrophobicContact CB-CD1 4.27Å; Q305-L342 HydrophobicContact CB-CD2 3.71Å; L309-L342 HydrophobicContact CB-CD1 4.22Å; L309-L342 HydrophobicContact CD2-CD1 3.67Å; Q338-L342 WeakPolarHBondContact O-CB 3.48Å; Q338-L342 WeakPolarHBondContact O-CG 3.46Å; Q338-L342 PolarHBondContact O-N 3.31Å; L342-L344 PolarHBondContact O-N 2.96Å; L342-H345 PolarHBondContact O-N 3.3Å; L342-H345 VanDerWaalsContact O-N 3.17Å; L342-V346 WeakPolarHBondContact O-CB 3.41Å; L342-V346 VanDerWaalsContact O-CG2 3.27Å; L342-V346 WeakPolarHBondContact O-CG2 3.43Å; L342-V346 PolarHBondContact O-N 2.97Å
343N91.2Very high87.8Confident97 Ų9754.6 Ų54.652%0.51926%0.257SS..Hα-helixtrans-58-40.7179.1-72-13.5000111.8Q339 G347Q339-N343 WeakPolarHBondContact O-CB 3.34Å; Q339-N343 PolarHBondContact O-N 3.36Å; Q339-N343 PolarHBondContact O-ND2 3.45Å; N343-G347 PolarHBondContact O-N 3.19Å
344L90.9Very high86.6Confident41 Ų4150.2 Ų50.222%0.21525%0.246CC..Hα-helixtrans-63.2-50.1175.8171.465.8000111.6L278 Q340 S341 L342 G347 L348L278-L344 HydrophobicContact CD1-CD2 4.01Å; L278-L344 HydrophobicContact CD2-CD1 4.35Å; L278-L344 HydrophobicContact CD2-CD2 3.35Å; L278-L344 HydrophobicContact CD2-CG 4.22Å; L278-L344 HydrophobicContact CG-CD2 4.32Å; Q340-L344 VanDerWaalsContact O-CB 3.31Å; Q340-L344 WeakPolarHBondContact O-CB 3.26Å; Q340-L344 PolarHBondContact O-N 3.29Å; S341-L344 WeakPolarHBondContact O-CB 3.38Å; S341-L344 PolarHBondContact O-N 2.88Å; L342-L344 PolarHBondContact O-N 2.96Å; L344-G347 PolarHBondContact O-N 3.02Å; L344-L348 HydrophobicContact CD1-CD1 3.97Å; L344-L348 HydrophobicContact CD1-CG 4.15Å; L344-L348 HydrophobicContact CG-CD1 4.01Å; L344-L348 WeakPolarHBondContact O-CB 3.13Å; L344-L348 VanDerWaalsContact O-CG 3.31Å; L344-L348 WeakPolarHBondContact O-CG 3.49Å; L344-L348 PolarHBondContact O-N 2.88Å
345H90.9Very high85Confident0 Ų046.3 Ų46.30%024%0.235CC..Hα-helixtrans-70.3-32-178.1-77.4-61.3000113.4Y247 D284 V286 Y287 I290 L302 S341 L342 S349Y247-H345 AromaticContact CE1-ND1 3.46Å; Y247-H345 WeakPolarHBondContact CE1-ND1 3.36Å; Y247-H345 AromaticContact CZ-ND1 3.57Å; Y247-H345 PolarHBondContact OH-ND1 2.85Å; Y247-H345 PolarHBondContact OH-O 3.44Å; D284-H345 IonicContact OD2-NE2 2.76Å; V286-H345 HydrophobicContact CG1-CB 4.42Å; Y287-H345 AromaticContact CD2-CE1 3.73Å; I290-H345 HydrophobicContact CD1-CB 3.88Å; L302-H345 HydrophobicContact CD1-CB 4.06Å; L302-H345 HydrophobicContact CD2-CB 3.97Å; S341-H345 PolarHBondContact O-CD2 3.44Å; S341-H345 VanDerWaalsContact O-CD2 3.25Å; S341-H345 PolarHBondContact O-N 2.96Å; S341-H345 PolarHBondContact OG-CD2 2.82Å; L342-H345 PolarHBondContact O-N 3.3Å; L342-H345 VanDerWaalsContact O-N 3.17Å; H345-S349 WeakPolarHBondContact O-CB 3.49Å; H345-S349 PolarHBondContact O-N 3.09Å
346V88.5Confident83.5Confident31 Ų3147.5 Ų47.519%0.18824%0.241CC..Hα-helixtrans-60.7-53.5168.8169.70000109.2L302 L342 L348 S349 E350L302-V346 HydrophobicContact CB-CG2 3.9Å; L302-V346 HydrophobicContact CD1-CG2 4.01Å; L302-V346 HydrophobicContact CG-CG2 4.46Å; L342-V346 WeakPolarHBondContact O-CB 3.41Å; L342-V346 VanDerWaalsContact O-CG2 3.27Å; L342-V346 WeakPolarHBondContact O-CG2 3.43Å; L342-V346 PolarHBondContact O-N 2.97Å; V346-L348 PolarHBondContact O-N 3.48Å; V346-S349 PolarHBondContact O-N 3.49Å; V346-S349 VanDerWaalsContact O-N 3.14Å; V346-E350 HydrophobicContact CG1-CG 4.4Å; V346-E350 WeakPolarHBondContact O-CB 3.03Å; V346-E350 WeakPolarHBondContact O-CG 3.27Å; V346-E350 PolarHBondContact O-N 2.95Å
347G87.8Confident81.6Confident6 Ų646 Ų466%0.06224%0.238CC..Hα-helixtrans-59.8-42.6178.600000113.2N343 L344 E350 V351N343-G347 PolarHBondContact O-N 3.19Å; L344-G347 PolarHBondContact O-N 3.02Å; G347-E350 PolarHBondContact O-N 3.5Å; G347-V351 WeakPolarHBondContact O-CB 3.42Å; G347-V351 VanDerWaalsContact O-CG2 3.26Å; G347-V351 WeakPolarHBondContact O-CG2 3.4Å; G347-V351 PolarHBondContact O-N 3.45Å
348L87.2Confident79.5Confident0 Ų046 Ų460%024%0.241CC..Hα-helixtrans-64.2-40.4175.5-74.4173000112L251 F255 L262 P265 L268 L344 V346 G352L251-L348 HydrophobicContact CD2-CB 3.96Å; L251-L348 HydrophobicContact CD2-CD1 4.24Å; L251-L348 HydrophobicContact CD2-CG 4.49Å; F255-L348 HydrophobicContact CD2-CD2 4.02Å; F255-L348 HydrophobicContact CE2-CB 4.41Å; F255-L348 HydrophobicContact CE2-CD2 3.76Å; F255-L348 HydrophobicContact CZ-CD2 4.13Å; L262-L348 HydrophobicContact CD2-CD1 3.65Å; L262-L348 HydrophobicContact CD2-CD2 3.79Å; L262-L348 HydrophobicContact CD2-CG 4.41Å; P265-L348 HydrophobicContact CG-CD2 4.49Å; L268-L348 HydrophobicContact CD1-CB 4.48Å; L268-L348 HydrophobicContact CD1-CD2 3.68Å; L268-L348 HydrophobicContact CD1-CG 3.96Å; L344-L348 HydrophobicContact CD1-CD1 3.97Å; L344-L348 HydrophobicContact CD1-CG 4.15Å; L344-L348 HydrophobicContact CG-CD1 4.01Å; L344-L348 WeakPolarHBondContact O-CB 3.13Å; L344-L348 VanDerWaalsContact O-CG 3.31Å; L344-L348 WeakPolarHBondContact O-CG 3.49Å; L344-L348 PolarHBondContact O-N 2.88Å; V346-L348 PolarHBondContact O-N 3.48Å; L348-G352 WeakPolarHBondContact O-CA 3.2Å; L348-G352 PolarHBondContact O-N 2.93Å
349S84.1Confident77.4Confident3 Ų349.2 Ų49.22%0.02125%0.254CS..Hα-helixtrans-65.8-44.3176.9-172.60000111.1H345 V346 M353H345-S349 WeakPolarHBondContact O-CB 3.49Å; H345-S349 PolarHBondContact O-N 3.09Å; V346-S349 PolarHBondContact O-N 3.49Å; V346-S349 VanDerWaalsContact O-N 3.14Å; S349-M353 WeakPolarHBondContact O-CB 3.49Å; S349-M353 WeakPolarHBondContact O-CG 3.47Å; S349-M353 PolarHBondContact O-N 3.31Å
350E82.6Confident75.1Confident97 Ų9747.1 Ų47.145%0.45325%0.249SC..Hα-helixtrans-63.9-49178.1-73.9176.2174.700111.9F299 V346 G347 S354F299-E350 HydrophobicContact CE2-CG 4.29Å; V346-E350 HydrophobicContact CG1-CG 4.4Å; V346-E350 WeakPolarHBondContact O-CB 3.03Å; V346-E350 WeakPolarHBondContact O-CG 3.27Å; V346-E350 PolarHBondContact O-N 2.95Å; G347-E350 PolarHBondContact O-N 3.5Å; E350-S354 VanDerWaalsContact O-CB 3.23Å; E350-S354 WeakPolarHBondContact O-CB 3.35Å; E350-S354 PolarHBondContact O-N 2.88Å; E350-S354 PolarHBondContact O-OG 3.05Å
351V77.7Confident72.6Confident31 Ų3142.8 Ų42.819%0.18823%0.234CC..Hα-helixtrans-65.6-45.1177.71750000110.5F255 P265 L268 G347 M353 S354 I355F255-V351 HydrophobicContact CE1-CG1 3.82Å; F255-V351 HydrophobicContact CZ-CB 4.16Å; F255-V351 HydrophobicContact CZ-CG1 3.87Å; P265-V351 HydrophobicContact CG-CG1 4.42Å; L268-V351 HydrophobicContact CD1-CG2 4.19Å; L268-V351 HydrophobicContact CD2-CG2 4.32Å; L268-V351 HydrophobicContact CG-CG2 4.29Å; G347-V351 WeakPolarHBondContact O-CB 3.42Å; G347-V351 VanDerWaalsContact O-CG2 3.26Å; G347-V351 WeakPolarHBondContact O-CG2 3.4Å; G347-V351 PolarHBondContact O-N 3.45Å; V351-M353 PolarHBondContact O-N 2.98Å; V351-S354 PolarHBondContact O-N 3.02Å; V351-I355 HydrophobicContact CG1-CD1 3.77Å; V351-I355 HydrophobicContact CG1-CG1 4.44Å; V351-I355 VanDerWaalsContact O-CG1 3.24Å; V351-I355 WeakPolarHBondContact O-CG1 3.2Å; V351-I355 PolarHBondContact O-N 3.4Å
352G70.9Confident70.3Confident0 Ų045.2 Ų45.20%025%0.254CS..Hα-helixtrans-61-45.1179.800000112.4L348 I355 L356L348-G352 WeakPolarHBondContact O-CA 3.2Å; L348-G352 PolarHBondContact O-N 2.93Å; G352-I355 PolarHBondContact O-N 2.96Å; G352-L356 PolarHBondContact O-N 2.81Å
353M68.5Low67.8Low53 Ų5346 Ų4626%0.26126%0.257SS..Hα-helixtrans-68.6-40.9175.5-74.3-62.9-65.700112.3L250 F295 S349 V351 I355 L356 L357L250-M353 HydrophobicContact CD2-CG 4.48Å; L250-M353 HydrophobicContact CD2-SD 4.28Å; F295-M353 HydrophobicContact CD2-CE 4.3Å; F295-M353 HydrophobicContact CD2-SD 3.58Å; F295-M353 VanDerWaalsContact CD2-SD 3.58Å; F295-M353 HydrophobicContact CE2-CE 4.33Å; F295-M353 HydrophobicContact CE2-SD 4.02Å; F295-M353 HydrophobicContact CG-SD 4.49Å; S349-M353 WeakPolarHBondContact O-CB 3.49Å; S349-M353 WeakPolarHBondContact O-CG 3.47Å; S349-M353 PolarHBondContact O-N 3.31Å; V351-M353 PolarHBondContact O-N 2.98Å; M353-I355 VanDerWaalsContact C-N 3.29Å; M353-I355 PolarHBondContact O-N 3.4Å; M353-L356 WeakPolarHBondContact O-CA 3.33Å; M353-L356 WeakPolarHBondContact O-CB 3.48Å; M353-L356 PolarHBondContact O-N 3.41Å; M353-L356 VanDerWaalsContact O-N 3.08Å; M353-L357 WeakPolarHBondContact O-CG 3.36Å; M353-L357 PolarHBondContact O-N 3.33Å
354S65.4Low65.4Low61 Ų6147.1 Ų47.143%0.42725%0.254SS..Hα-helixtrans-60.1-40.9175.3-62.10000111.2E350 V351 L356 L357 L358E350-S354 VanDerWaalsContact O-CB 3.23Å; E350-S354 WeakPolarHBondContact O-CB 3.35Å; E350-S354 PolarHBondContact O-N 2.88Å; E350-S354 PolarHBondContact O-OG 3.05Å; V351-S354 PolarHBondContact O-N 3.02Å; S354-L356 VanDerWaalsContact C-N 3.35Å; S354-L357 PolarHBondContact O-N 3.11Å; S354-L358 VanDerWaalsContact O-CB 3.31Å; S354-L358 WeakPolarHBondContact O-CB 3.29Å; S354-L358 VanDerWaalsContact O-CG 3.23Å; S354-L358 WeakPolarHBondContact O-CG 3.37Å; S354-L358 PolarHBondContact O-N 3.43Å
355I58.7Low63Low55 Ų5553.3 Ų53.328%0.28228%0.281SS..Hα-helixtrans-67.6-36174.6-65.3165.6000111.2K254 F255 V351 G352 M353 L358 K359K254-I355 HydrophobicContact CD-CB 4.37Å; K254-I355 HydrophobicContact CD-CG2 3.83Å; F255-I355 HydrophobicContact CE1-CD1 4.19Å; V351-I355 HydrophobicContact CG1-CD1 3.77Å; V351-I355 HydrophobicContact CG1-CG1 4.44Å; V351-I355 VanDerWaalsContact O-CG1 3.24Å; V351-I355 WeakPolarHBondContact O-CG1 3.2Å; V351-I355 PolarHBondContact O-N 3.4Å; G352-I355 PolarHBondContact O-N 2.96Å; M353-I355 VanDerWaalsContact C-N 3.29Å; M353-I355 PolarHBondContact O-N 3.4Å; I355-L358 PolarHBondContact O-N 2.96Å; I355-K359 PolarHBondContact O-N 2.93Å
356L59.1Low60.4Low30 Ų3056.3 Ų56.316%0.15729%0.293CS..Hα-helixtrans-63-43.6175.1-158.9130.6000110.9L250 G352 M353 S354 G360 F379L250-L356 HydrophobicContact CD1-CD1 3.63Å; G352-L356 PolarHBondContact O-N 2.81Å; M353-L356 WeakPolarHBondContact O-CA 3.33Å; M353-L356 WeakPolarHBondContact O-CB 3.48Å; M353-L356 PolarHBondContact O-N 3.41Å; M353-L356 VanDerWaalsContact O-N 3.08Å; S354-L356 VanDerWaalsContact C-N 3.35Å; L356-G360 PolarHBondContact O-N 3.3Å; L356-F379 HydrophobicContact CD2-CG 4.41Å
357L53Low57.8Low86 Ų8656.4 Ų56.445%0.4530%0.295SS..Hα-helixtrans-69.2-35.1174.7-66.5171.3000113M353 S354 G360 S361M353-L357 WeakPolarHBondContact O-CG 3.36Å; M353-L357 PolarHBondContact O-N 3.33Å; S354-L357 PolarHBondContact O-N 3.11Å; L357-G360 CarbonylContact O-C 3.57Å; L357-G360 VanDerWaalsContact O-C 3.31Å; L357-G360 WeakPolarHBondContact O-CA 3.38Å; L357-G360 PolarHBondContact O-N 3.42Å; L357-S361 PolarHBondContact O-N 2.89Å
358L48.1Very low55.1Low105 Ų10565 Ų6555%0.5533%0.333SS..Hα-helixtrans-76.8-30.7177.2-73.3170.5000113.1S354 I355 G360 S361S354-L358 VanDerWaalsContact O-CB 3.31Å; S354-L358 WeakPolarHBondContact O-CB 3.29Å; S354-L358 VanDerWaalsContact O-CG 3.23Å; S354-L358 WeakPolarHBondContact O-CG 3.37Å; S354-L358 PolarHBondContact O-N 3.43Å; I355-L358 PolarHBondContact O-N 2.96Å; L358-G360 VanDerWaalsContact C-N 3.27Å; L358-S361 VanDerWaalsContact C-N 3.34Å; L358-S361 WeakPolarHBondContact O-CA 3.33Å; L358-S361 WeakPolarHBondContact O-CB 3.41Å; L358-S361 PolarHBondContact O-N 3.37Å; L358-S361 PolarHBondContact O-OG 2.9Å
359K48.5Very low52.5Low126 Ų12669.2 Ų69.255%0.54837%0.369SS..Hα-helixtrans-70.5-30.9164.6-76.8-169.3176-176.10111.1I355 S361 A362 Y363I355-K359 PolarHBondContact O-N 2.93Å; K359-S361 PolarHBondContact O-N 3.43Å; K359-S361 VanDerWaalsContact O-N 3.07Å; K359-A362 PolarHBondContact O-N 3.47Å; K359-Y363 PolarHBondContact O-N 3.17Å
360G44.3Very low50Low17 Ų1774.7 Ų74.718%0.17540%0.396CS..Hα-helixtrans-52.5-16.9157.700000113.5L356 L357 L358 Y363 R364L356-G360 PolarHBondContact O-N 3.3Å; L357-G360 CarbonylContact O-C 3.57Å; L357-G360 VanDerWaalsContact O-C 3.31Å; L357-G360 WeakPolarHBondContact O-CA 3.38Å; L357-G360 PolarHBondContact O-N 3.42Å; L358-G360 VanDerWaalsContact C-N 3.27Å; G360-Y363 CarbonylContact O-C 3.59Å; G360-Y363 VanDerWaalsContact O-C 3.22Å; G360-Y363 WeakPolarHBondContact O-CA 3.46Å; G360-Y363 VanDerWaalsContact O-CB 3.28Å; G360-Y363 WeakPolarHBondContact O-CB 3.48Å; G360-Y363 PolarHBondContact O-N 2.86Å; G360-R364 WeakPolarHBondContact O-CA 3.45Å; G360-R364 PolarHBondContact O-N 3.35Å
361S39.8Very low47.5Very low46 Ų4675.8 Ų75.832%0.32241%0.409SS..Hα-helixtrans-87.2-21.7173.282.60000115.8L357 L358 K359 Y363 R364L357-S361 PolarHBondContact O-N 2.89Å; L358-S361 VanDerWaalsContact C-N 3.34Å; L358-S361 WeakPolarHBondContact O-CA 3.33Å; L358-S361 WeakPolarHBondContact O-CB 3.41Å; L358-S361 PolarHBondContact O-N 3.37Å; L358-S361 PolarHBondContact O-OG 2.9Å; K359-S361 PolarHBondContact O-N 3.43Å; K359-S361 VanDerWaalsContact O-N 3.07Å; S361-Y363 VanDerWaalsContact C-N 3.27Å; S361-R364 VanDerWaalsContact C-N 3.35Å; S361-R364 WeakPolarHBondContact O-CB 3.16Å; S361-R364 PolarHBondContact O-N 3.4Å
362A46.3Very low45.1Very low59 Ų5983.3 Ų83.349%0.48844%0.443SS..Hα-helixtrans-69.7-3516000000109.8K359K359-A362 PolarHBondContact O-N 3.47Å
363Y40.8Very low43.1Very low23 Ų2389.8 Ų89.89%0.0947%0.473CS..Hα-helixtrans-68.3-28.4164.8-118.2-81.2000112.3K359 G360 S361 Q365 Y366 D378 F401 L410K359-Y363 PolarHBondContact O-N 3.17Å; G360-Y363 CarbonylContact O-C 3.59Å; G360-Y363 VanDerWaalsContact O-C 3.22Å; G360-Y363 WeakPolarHBondContact O-CA 3.46Å; G360-Y363 VanDerWaalsContact O-CB 3.28Å; G360-Y363 WeakPolarHBondContact O-CB 3.48Å; G360-Y363 PolarHBondContact O-N 2.86Å; S361-Y363 VanDerWaalsContact C-N 3.27Å; Y363-Q365 VanDerWaalsContact C-N 3.25Å; Y363-Q365 PolarHBondContact O-N 3.09Å; Y363-Y366 WeakPolarHBondContact O-CB 3.27Å; Y363-Y366 PolarHBondContact O-N 3.28Å; Y363-D378 WeakPolarHBondContact CB-OD2 3.09Å; Y363-D378 HydrophobicContact CD1-CB 3.27Å; Y363-D378 WeakPolarHBondContact CD1-OD1 3.45Å; Y363-D378 HydrophobicContact CE1-CB 3.84Å; Y363-D378 HydrophobicContact CG-CB 3.64Å; Y363-F401 WeakPolarHBondContact OH-CZ 3.44Å; Y363-L410 HydrophobicContact CD2-CD1 3.81Å; Y363-L410 HydrophobicContact CD2-CD2 3.85Å; Y363-L410 HydrophobicContact CE2-CD1 3.29Å; Y363-L410 HydrophobicContact CE2-CD2 4.22Å; Y363-L410 HydrophobicContact CE2-CG 4.42Å; Y363-L410 HydrophobicContact CG-CD2 4.41Å
364R39.8Very low41.5Very low119 Ų11994.3 Ų94.345%0.44949%0.491SS..Hα-helixtrans-60.8-30.9-179.7-91.4-179.2-177.6148.10112.9G360 S361 Y366 C367 Q368 N375G360-R364 WeakPolarHBondContact O-CA 3.45Å; G360-R364 PolarHBondContact O-N 3.35Å; S361-R364 VanDerWaalsContact C-N 3.35Å; S361-R364 WeakPolarHBondContact O-CB 3.16Å; S361-R364 PolarHBondContact O-N 3.4Å; R364-Y366 PolarHBondContact O-N 3.19Å; R364-Y366 VanDerWaalsContact O-N 3.09Å; R364-C367 PolarHBondContact O-N 3.33Å; R364-Q368 PolarHBondContact O-N 3.48Å; R364-N375 PolarHBondContact NH2-OD1 3.07Å
365Q40.1Very low40.5Very low171 Ų17196.8 Ų96.880%0.79950%0.5SS*.THydrogen-bonded Turntrans-60.6-19.5179-115.8176.414.900111.7Y363Y363-Q365 VanDerWaalsContact C-N 3.25Å; Y363-Q365 PolarHBondContact O-N 3.09Å
366Y38Very low39.9Very low63 Ų63100.5 Ų100.525%0.24752%0.516CS..THydrogen-bonded Turntrans-66-38.5169.6-174.4-129.2000114.1Y363 R364 R381Y363-Y366 WeakPolarHBondContact O-CB 3.27Å; Y363-Y366 PolarHBondContact O-N 3.28Å; R364-Y366 PolarHBondContact O-N 3.19Å; R364-Y366 VanDerWaalsContact O-N 3.09Å; Y366-R381 PolarHBondContact OH-NH1 3.02Å
367C32.5Very low39.4Very low33 Ų33105.7 Ų105.722%0.22353%0.534CS..THydrogen-bonded Turntrans-106.5-6.6-167.5-66.30000115.2R364 A369 I370R364-C367 PolarHBondContact O-N 3.33Å; C367-A369 PolarHBondContact O-N 3.24Å; C367-A369 VanDerWaalsContact O-N 3.11Å; C367-I370 CarbonylContact O-C 3.56Å; C367-I370 PolarHBondContact O-N 3.06Å
368Q32.1Very low40Very low187 Ų187102.5 Ų102.587%0.87452%0.517SS*.THydrogen-bonded Turntrans-67.1-11172-151.7171.64.200112.8R364R364-Q368 PolarHBondContact O-N 3.48Å
369A31.9Very low41.3Very low89 Ų89100.2 Ų100.274%0.73650%0.503SS*.THydrogen-bonded Turntrans-97.4-10.8170.600000114.4C367C367-A369 PolarHBondContact O-N 3.24Å; C367-A369 VanDerWaalsContact O-N 3.11Å
370I32.1Very low42.7Very low117 Ų11798.8 Ų98.860%0.650%0.499SS*.SBendtrans-138.895.8-178.9-57.2-178.8000109.6C367C367-I370 CarbonylContact O-C 3.56Å; C367-I370 PolarHBondContact O-N 3.06Å
371V29.1Very low44.6Very low121 Ų121101.7 Ų101.773%0.73350%0.504SS*.  trans72.3112.4162.6-171.80000116.4E373V371-E373 PolarHBondContact O-N 3.03Å
372E27.3Very low46.8Very low189 Ų189100.2 Ų100.288%0.88349%0.492SS*.SBendtrans-50.497.4159.6-61.2170158.900110.9
373E30Very low48.7Very low135 Ų13599.4 Ų99.463%0.63148%0.48SS*.  trans170.8133142.7-98.6-163.6158.900112.1V371V371-E373 PolarHBondContact O-N 3.03Å
374K35.2Very low51Low148 Ų148102.4 Ų102.464%0.64350%0.495SS*.  trans72.3121.7149.8-64.9171.8-177.5132.30120Q376K374-Q376 PolarHBondContact O-N 3.48Å
375N43.2Very low53.4Low114 Ų11497.1 Ų97.161%0.6148%0.475SS*.THydrogen-bonded Turntrans-70.144.3-171-71.4-56.8000117.2R364R364-N375 PolarHBondContact NH2-OD1 3.07Å
376Q46.6Very low55.8Low133 Ų13389.3 Ų89.362%0.62144%0.439SS*.THydrogen-bonded Turntrans-136.8-9.3-175.1-139.1171.8-36.500116.2K374 D378 E380K374-Q376 PolarHBondContact O-N 3.48Å; Q376-D378 PolarHBondContact O-N 2.77Å; Q376-E380 WeakPolarHBondContact CG-OE1 3.43Å; Q376-E380 PolarHBondContact NE2-OE1 2.97Å
377Y49.4Very low58.2Low138 Ų13891.7 Ų91.754%0.54145%0.452SS..Hα-helixtrans-70.7-19.9-165.4-96.8-83.2000116.7R381Y377-R381 WeakPolarHBondContact O-CB 3.4Å; Y377-R381 WeakPolarHBondContact O-CD 3.44Å; Y377-R381 WeakPolarHBondContact O-CG 3.35Å; Y377-R381 PolarHBondContact O-N 3.13Å
378D66Low61Low19 Ų1992.4 Ų92.410%0.10245%0.45CS..Hα-helixtrans-87.4-47.5-164.3-70-32000114.2Y363 Q376 R381 L382Y363-D378 WeakPolarHBondContact CB-OD2 3.09Å; Y363-D378 HydrophobicContact CD1-CB 3.27Å; Y363-D378 WeakPolarHBondContact CD1-OD1 3.45Å; Y363-D378 HydrophobicContact CE1-CB 3.84Å; Y363-D378 HydrophobicContact CG-CB 3.64Å; Q376-D378 PolarHBondContact O-N 2.77Å; D378-R381 PolarHBondContact O-N 2.88Å; D378-L382 PolarHBondContact O-N 3.34Å; D378-L382 VanDerWaalsContact O-N 3.14Å
379F73.6Confident63.8Low57 Ų5783.5 Ų83.525%0.2541%0.408CS..Hα-helixtrans-70.1-37.1178.3-175.9-108.5000111.5L245 F295 L356 R381 L382 L383L245-F379 HydrophobicContact CD2-CE1 3.77Å; L245-F379 HydrophobicContact CD2-CZ 3.52Å; F295-F379 HydrophobicContact CE1-CE1 4.12Å; F295-F379 HydrophobicContact CE1-CZ 4.26Å; F295-F379 HydrophobicContact CZ-CD1 4.34Å; F295-F379 AromaticContact CZ-CE1 3.59Å; F295-F379 HydrophobicContact CZ-CE1 3.59Å; F295-F379 HydrophobicContact CZ-CZ 4.13Å; L356-F379 HydrophobicContact CD2-CG 4.41Å; F379-R381 VanDerWaalsContact C-N 3.33Å; F379-R381 PolarHBondContact O-N 3.03Å; F379-L382 HydrophobicContact CD2-CD2 4.35Å; F379-L382 HydrophobicContact CE2-CD2 4.48Å; F379-L382 WeakPolarHBondContact O-CB 3.47Å; F379-L382 PolarHBondContact O-N 3.49Å; F379-L383 HydrophobicContact CD1-CD1 3.9Å; F379-L383 HydrophobicContact CD1-CG 4.2Å; F379-L383 HydrophobicContact CE1-CD1 3.45Å; F379-L383 VanDerWaalsContact CE1-CD1 3.45Å; F379-L383 HydrophobicContact CE1-CD2 4.13Å; F379-L383 HydrophobicContact CE1-CG 3.84Å; F379-L383 HydrophobicContact CE2-CD2 4.34Å; F379-L383 HydrophobicContact CZ-CD1 4.06Å; F379-L383 HydrophobicContact CZ-CD2 3.85Å; F379-L383 HydrophobicContact CZ-CG 4.04Å; F379-L383 WeakPolarHBondContact O-CG 3.23Å; F379-L383 PolarHBondContact O-N 2.68Å
380E79.6Confident66.4Low97 Ų9782.5 Ų82.545%0.45339%0.39SS..Hα-helixtrans-63.1-39.2175.8-68.5177.5-176.200111.6Q376 L383 E384Q376-E380 WeakPolarHBondContact CG-OE1 3.43Å; Q376-E380 PolarHBondContact NE2-OE1 2.97Å; E380-L383 PolarHBondContact O-N 2.86Å; E380-E384 WeakPolarHBondContact O-CB 3.41Å; E380-E384 PolarHBondContact O-N 2.99Å
381R83.3Confident69Low78 Ų7879.8 Ų79.829%0.29438%0.381SS..Hα-helixtrans-62.9-42.5172.5-79.4176.9-169-153.411.3112.5Y366 Y377 D378 F379 E384 M385 F401Y366-R381 PolarHBondContact OH-NH1 3.02Å; Y377-R381 WeakPolarHBondContact O-CB 3.4Å; Y377-R381 WeakPolarHBondContact O-CD 3.44Å; Y377-R381 WeakPolarHBondContact O-CG 3.35Å; Y377-R381 PolarHBondContact O-N 3.13Å; D378-R381 PolarHBondContact O-N 2.88Å; F379-R381 VanDerWaalsContact C-N 3.33Å; F379-R381 PolarHBondContact O-N 3.03Å; R381-E384 PolarHBondContact O-N 3.22Å; R381-M385 WeakPolarHBondContact O-CB 3.25Å; R381-M385 PolarHBondContact O-N 3.42Å; R381-F401 HydrophobicContact CB-CE2 4.46Å
382L85.7Confident71.6Confident14 Ų1479.7 Ų79.77%0.07337%0.371CS..Hα-helixtrans-58.6-48.3174.9178.166.3000110.8D378 F379 M385 E386 F401 L418D378-L382 PolarHBondContact O-N 3.34Å; D378-L382 VanDerWaalsContact O-N 3.14Å; F379-L382 HydrophobicContact CD2-CD2 4.35Å; F379-L382 HydrophobicContact CE2-CD2 4.48Å; F379-L382 WeakPolarHBondContact O-CB 3.47Å; F379-L382 PolarHBondContact O-N 3.49Å; L382-M385 PolarHBondContact O-N 3.21Å; L382-E386 HydrophobicContact CD1-CG 4.5Å; L382-E386 WeakPolarHBondContact O-CG 3.46Å; L382-E386 PolarHBondContact O-N 2.9Å; L382-F401 HydrophobicContact CD1-CE1 4.11Å; L382-F401 HydrophobicContact CD1-CZ 4.41Å; L382-L418 HydrophobicContact CD1-CD1 3.83Å; L382-L418 HydrophobicContact CD1-CD2 3.82Å; L382-L418 HydrophobicContact CD1-CG 4.21Å
383L87.1Confident74.4Confident42 Ų4275 Ų7522%0.2235%0.351CS..Hα-helixtrans-63.6-42.3178.1-65.8-176.6000112.7L245 F379 E380 M385 E386 H387L245-L383 HydrophobicContact CD1-CD1 4.09Å; L245-L383 HydrophobicContact CD1-CD2 4.48Å; L245-L383 HydrophobicContact CD2-CD1 4.01Å; L245-L383 HydrophobicContact CD2-CD2 3.82Å; F379-L383 HydrophobicContact CD1-CD1 3.9Å; F379-L383 HydrophobicContact CD1-CG 4.2Å; F379-L383 HydrophobicContact CE1-CD1 3.45Å; F379-L383 VanDerWaalsContact CE1-CD1 3.45Å; F379-L383 HydrophobicContact CE1-CD2 4.13Å; F379-L383 HydrophobicContact CE1-CG 3.84Å; F379-L383 HydrophobicContact CE2-CD2 4.34Å; F379-L383 HydrophobicContact CZ-CD1 4.06Å; F379-L383 HydrophobicContact CZ-CD2 3.85Å; F379-L383 HydrophobicContact CZ-CG 4.04Å; F379-L383 WeakPolarHBondContact O-CG 3.23Å; F379-L383 PolarHBondContact O-N 2.68Å; E380-L383 PolarHBondContact O-N 2.86Å; L383-M385 PolarHBondContact O-N 2.63Å; L383-E386 PolarHBondContact O-N 3.47Å; L383-H387 WeakPolarHBondContact O-CB 3.31Å; L383-H387 PolarHBondContact O-N 3.42Å
384E89.2Confident77.1Confident87 Ų8772.8 Ų72.841%0.40734%0.343SS..Hα-helixtrans-58.7-41.4174.7-172.7-172.2171.900110.3E380 R381 H387 R388E380-E384 WeakPolarHBondContact O-CB 3.41Å; E380-E384 PolarHBondContact O-N 2.99Å; R381-E384 PolarHBondContact O-N 3.22Å; E384-H387 PolarHBondContact O-N 2.84Å; E384-R388 VanDerWaalsContact CD-NH1 3.28Å; E384-R388 WeakPolarHBondContact O-CG 3.3Å; E384-R388 PolarHBondContact O-N 3.17Å; E384-R388 IonicContact OE1-CZ 2.97Å; E384-R388 IonicContact OE1-NH1 2.76Å; E384-R388 PolarHBondContact OE1-NH1 3.4Å; E384-R388 IonicContact OE1-NH2 2.67Å; E384-R388 PolarHBondContact OE1-NH2 2.65Å; E384-R388 IonicContact OE2-NH1 3.92Å
385M89.8Confident79.6Confident8 Ų868.2 Ų68.24%0.03932%0.323CS..Hα-helixtrans-71.6-43.6179.1-158.262.661.900112.5R381 L382 L383 H387 R388 M389 R397 F401R381-M385 WeakPolarHBondContact O-CB 3.25Å; R381-M385 PolarHBondContact O-N 3.42Å; L382-M385 PolarHBondContact O-N 3.21Å; L383-M385 PolarHBondContact O-N 2.63Å; M385-H387 VanDerWaalsContact C-N 3.26Å; M385-H387 PolarHBondContact O-N 3.07Å; M385-R388 WeakPolarHBondContact O-CB 3.22Å; M385-R388 PolarHBondContact O-N 3.13Å; M385-R388 VanDerWaalsContact O-N 3.16Å; M385-R388 HydrophobicContact SD-CB 4.38Å; M385-M389 HydrophobicContact CG-CE 3.85Å; M385-M389 VanDerWaalsContact O-CG 3.25Å; M385-M389 WeakPolarHBondContact O-CG 3.33Å; M385-M389 PolarHBondContact O-N 3.01Å; M385-R397 HydrophobicContact CE-CG 4.26Å; M385-F401 HydrophobicContact CB-CD1 3.94Å; M385-F401 HydrophobicContact CB-CE1 3.88Å; M385-F401 HydrophobicContact CB-CG 4.33Å; M385-F401 HydrophobicContact CB-CZ 4.25Å; M385-F401 HydrophobicContact CE-CB 3.77Å; M385-F401 HydrophobicContact CE-CD1 4.46Å; M385-F401 HydrophobicContact CE-CD2 3.83Å; M385-F401 HydrophobicContact CE-CG 3.77Å; M385-F401 HydrophobicContact CG-CB 4.11Å; M385-F401 HydrophobicContact CG-CD1 3.54Å; M385-F401 HydrophobicContact CG-CE1 4.02Å; M385-F401 HydrophobicContact CG-CG 3.8Å; M385-F401 HydrophobicContact SD-CB 4.24Å; M385-F401 HydrophobicContact SD-CG 4.4Å
386E91.1Very high81.8Confident7 Ų768.5 Ų68.53%0.03332%0.32CS..Hα-helixtrans-55.9-43.3172.9-72.9-177.8169.800110.8L242 S243 L382 L383 M389 L390 L418 L421 K495L242-E386 HydrophobicContact CD2-CB 4.08Å; S243-E386 WeakPolarHBondContact CB-OE2 3.44Å; S243-E386 PolarHBondContact N-OE1 3.01Å; S243-E386 PolarHBondContact N-OE2 2.63Å; S243-E386 VanDerWaalsContact OG-CD 3.25Å; S243-E386 PolarHBondContact OG-OE1 2.81Å; S243-E386 PolarHBondContact OG-OE2 3.49Å; S243-E386 VanDerWaalsContact OG-OE2 3.13Å; L382-E386 HydrophobicContact CD1-CG 4.5Å; L382-E386 WeakPolarHBondContact O-CG 3.46Å; L382-E386 PolarHBondContact O-N 2.9Å; L383-E386 PolarHBondContact O-N 3.47Å; E386-M389 PolarHBondContact O-N 2.6Å; E386-L390 WeakPolarHBondContact O-CG 3.4Å; E386-L390 PolarHBondContact O-N 3.09Å; E386-L418 HydrophobicContact CG-CD2 3.95Å; E386-L421 HydrophobicContact CB-CD2 3.86Å; E386-L421 HydrophobicContact CG-CD2 3.77Å; E386-K495 IonicContact OE1-NZ 3.13Å; E386-K495 PolarHBondContact OE1-NZ 3.48Å
387H88.1Confident83.9Confident113 Ų11367.2 Ų67.252%0.52331%0.31SS..Hα-helixtrans-64.5-43.2175.9-177.567.8000112.9L383 E384 M385 M389 L390 C391L383-H387 WeakPolarHBondContact O-CB 3.31Å; L383-H387 PolarHBondContact O-N 3.42Å; E384-H387 PolarHBondContact O-N 2.84Å; M385-H387 VanDerWaalsContact C-N 3.26Å; M385-H387 PolarHBondContact O-N 3.07Å; H387-M389 VanDerWaalsContact C-N 3.34Å; H387-M389 PolarHBondContact O-N 3.46Å; H387-L390 PolarHBondContact O-N 3.48Å; H387-C391 PolarHBondContact CE1-SG 3.13Å; H387-C391 WeakPolarHBondContact O-CB 3.43Å; H387-C391 PolarHBondContact O-N 3.33Å; H387-C391 PolarHBondContact O-SG 2.78Å
388R90.1Very high85.9Confident47 Ų4760.7 Ų60.718%0.17728%0.284CS..Hα-helixtrans-59.3-45.3174.6-81-175.5168.7121.810.9111.6E384 M385 L390 C391 K392 L393 R397E384-R388 VanDerWaalsContact CD-NH1 3.28Å; E384-R388 WeakPolarHBondContact O-CG 3.3Å; E384-R388 PolarHBondContact O-N 3.17Å; E384-R388 IonicContact OE1-CZ 2.97Å; E384-R388 IonicContact OE1-NH1 2.76Å; E384-R388 PolarHBondContact OE1-NH1 3.4Å; E384-R388 IonicContact OE1-NH2 2.67Å; E384-R388 PolarHBondContact OE1-NH2 2.65Å; E384-R388 IonicContact OE2-NH1 3.92Å; M385-R388 WeakPolarHBondContact O-CB 3.22Å; M385-R388 PolarHBondContact O-N 3.13Å; M385-R388 VanDerWaalsContact O-N 3.16Å; M385-R388 HydrophobicContact SD-CB 4.38Å; R388-L390 PolarHBondContact O-N 3.32Å; R388-C391 CarbonylContact O-C 3.51Å; R388-C391 PolarHBondContact O-N 3.16Å; R388-K392 PolarHBondContact O-N 3.3Å; R388-L393 HydrophobicContact CB-CB 4.27Å; R388-L393 HydrophobicContact CG-CB 4.33Å; R388-L393 PolarHBondContact O-N 3.08Å; R388-R397 VanDerWaalsContact CZ-NH1 3.34Å
389M90.7Very high86.9Confident0 Ų060.8 Ų60.80%029%0.285CS..Hα-helixtrans-58.4-49177.5-68.6175.9175.800110.9M385 E386 H387 C391 K392 I402 L418 L421 L422 A425M385-M389 HydrophobicContact CG-CE 3.85Å; M385-M389 VanDerWaalsContact O-CG 3.25Å; M385-M389 WeakPolarHBondContact O-CG 3.33Å; M385-M389 PolarHBondContact O-N 3.01Å; E386-M389 PolarHBondContact O-N 2.6Å; H387-M389 VanDerWaalsContact C-N 3.34Å; H387-M389 PolarHBondContact O-N 3.46Å; M389-C391 VanDerWaalsContact C-N 3.33Å; M389-C391 PolarHBondContact O-N 3.24Å; M389-K392 WeakPolarHBondContact O-CA 3.36Å; M389-K392 PolarHBondContact O-N 2.8Å; M389-I402 HydrophobicContact CE-CD1 3.72Å; M389-I402 HydrophobicContact CE-CG1 3.92Å; M389-L418 HydrophobicContact CE-CB 4.4Å; M389-L418 HydrophobicContact CE-CD2 4.24Å; M389-L418 HydrophobicContact SD-CD2 4.07Å; M389-L421 HydrophobicContact CB-CD2 4.36Å; M389-L421 HydrophobicContact CB-CG 4.35Å; M389-L421 HydrophobicContact SD-CD2 4.13Å; M389-L421 HydrophobicContact SD-CG 4.38Å; M389-L422 HydrophobicContact CB-CD1 4.44Å; M389-L422 HydrophobicContact CE-CB 4.35Å; M389-L422 HydrophobicContact CG-CB 4.46Å; M389-L422 HydrophobicContact CG-CD1 3.96Å; M389-L422 HydrophobicContact SD-CB 4.08Å; M389-A425 WeakPolarHBondContact O-CB 3.18Å
390L86.9Confident87.8Confident69 Ų6962 Ų6236%0.36129%0.292SS..Hα-helixtrans-58.4-42.2176-73.6176.9000113.2A238 L242 E386 H387 R388 K392 L421A238-L390 HydrophobicContact CB-CD2 4.24Å; L242-L390 HydrophobicContact CD1-CD1 3.8Å; L242-L390 HydrophobicContact CD1-CD2 4.29Å; L242-L390 HydrophobicContact CD2-CD1 3.55Å; L242-L390 HydrophobicContact CD2-CD2 4.12Å; L242-L390 HydrophobicContact CD2-CG 3.86Å; L242-L390 HydrophobicContact CG-CD1 4.31Å; E386-L390 WeakPolarHBondContact O-CG 3.4Å; E386-L390 PolarHBondContact O-N 3.09Å; H387-L390 PolarHBondContact O-N 3.48Å; R388-L390 PolarHBondContact O-N 3.32Å; L390-K392 PolarHBondContact O-N 3.09Å; L390-L421 HydrophobicContact CD2-CD1 3.97Å
391C86.9Confident88.2Confident60 Ų6058.2 Ų58.241%0.40527%0.274SS..THydrogen-bonded Turntrans-76.90.1178.6-630000113.1H387 R388 M389 L393H387-C391 PolarHBondContact CE1-SG 3.13Å; H387-C391 WeakPolarHBondContact O-CB 3.43Å; H387-C391 PolarHBondContact O-N 3.33Å; H387-C391 PolarHBondContact O-SG 2.78Å; R388-C391 CarbonylContact O-C 3.51Å; R388-C391 PolarHBondContact O-N 3.16Å; M389-C391 VanDerWaalsContact C-N 3.33Å; M389-C391 PolarHBondContact O-N 3.24Å; C391-L393 HydrophobicContact CB-CD1 3.68Å; C391-L393 HydrophobicContact CB-CG 3.62Å; C391-L393 PolarHBondContact O-N 3.21Å
392K85Confident88.2Confident119 Ų11954.7 Ų54.752%0.51726%0.261SS..THydrogen-bonded Turntrans56.834.9-174.7-47.4-170.7-166.2-139.60113.3R388 M389 L390 A425 Q426R388-K392 PolarHBondContact O-N 3.3Å; M389-K392 WeakPolarHBondContact O-CA 3.36Å; M389-K392 PolarHBondContact O-N 2.8Å; L390-K392 PolarHBondContact O-N 3.09Å; K392-A425 WeakPolarHBondContact CD-O 3.41Å; K392-A425 WeakPolarHBondContact CE-O 3.45Å; K392-A425 PolarHBondContact NZ-O 2.74Å; K392-Q426 VanDerWaalsContact CA-NE2 3.31Å
393L86Confident88.2Confident90 Ų9059.5 Ų59.547%0.47128%0.283SS..  trans-92.4123.3-178.6-60.9174.9000110.4R388 C391R388-L393 HydrophobicContact CB-CB 4.27Å; R388-L393 HydrophobicContact CG-CB 4.33Å; R388-L393 PolarHBondContact O-N 3.08Å; C391-L393 HydrophobicContact CB-CD1 3.68Å; C391-L393 HydrophobicContact CB-CG 3.62Å; C391-L393 PolarHBondContact O-N 3.21Å
394D85.9Confident88Confident88 Ų8861 Ų6147%0.47129%0.291SS..  trans53.380.6170.5-163.4-14.8000114.1H396 R397 S398D394-H396 VanDerWaalsContact C-N 3.31Å; D394-H396 PolarHBondContact O-N 2.92Å; D394-H396 PolarHBondContact OD1-N 3.25Å; D394-R397 HydrophobicContact CB-CB 4.08Å; D394-R397 PolarHBondContact O-N 3.08Å; D394-R397 WeakPolarHBondContact OD1-CB 2.97Å; D394-R397 PolarHBondContact OD1-N 2.98Å; D394-R397 WeakPolarHBondContact OD2-CB 3.5Å; D394-S398 PolarHBondContact O-N 3.2Å; D394-S398 VanDerWaalsContact O-N 3.13Å; D394-S398 PolarHBondContact O-OG 2.84Å
395Y86.9Confident87.5Confident52 Ų5257 Ų5720%0.20427%0.272CS..Hα-helixtrans-57.3-42.7177.5178.9-101.9000112.6R397 S398 V399 L422 Q426 L429 P430 D433Y395-R397 PolarHBondContact O-N 3Å; Y395-S398 WeakPolarHBondContact O-CB 3.34Å; Y395-S398 PolarHBondContact O-N 3.43Å; Y395-V399 HydrophobicContact CD1-CG2 4.21Å; Y395-V399 HydrophobicContact CE1-CG2 3.69Å; Y395-V399 HydrophobicContact CE2-CG2 4.06Å; Y395-V399 WeakPolarHBondContact O-CG2 3.32Å; Y395-V399 PolarHBondContact O-N 3.38Å; Y395-L422 HydrophobicContact CD2-CD1 4.04Å; Y395-L422 HydrophobicContact CD2-CD2 4.27Å; Y395-L422 HydrophobicContact CD2-CG 4.38Å; Y395-L422 HydrophobicContact CE2-CD1 4.25Å; Y395-L422 HydrophobicContact CE2-CD2 3.8Å; Y395-L422 HydrophobicContact CE2-CG 4.09Å; Y395-Q426 HydrophobicContact CD2-CG 4.32Å; Y395-L429 HydrophobicContact CE2-CD2 3.53Å; Y395-P430 HydrophobicContact CE1-CG 4.42Å; Y395-P430 WeakPolarHBondContact OH-CD 3.4Å; Y395-D433 PolarHBondContact OH-OD2 3.35Å
396H89.7Confident86.9Confident121 Ų12160.6 Ų60.656%0.5629%0.29SS*.Hα-helixtrans-61.8-49.3-176.7-171.9-85.4000110.8D394 S398 V399 E400D394-H396 VanDerWaalsContact C-N 3.31Å; D394-H396 PolarHBondContact O-N 2.92Å; D394-H396 PolarHBondContact OD1-N 3.25Å; H396-S398 PolarHBondContact O-N 3.09Å; H396-V399 PolarHBondContact O-N 2.84Å; H396-V399 VanDerWaalsContact O-N 3.1Å; H396-E400 IonicContact CE1-OE1 3.46Å; H396-E400 PolarHBondContact CE1-OE1 3.01Å; H396-E400 IonicContact CE1-OE2 3.5Å; H396-E400 IonicContact ND1-OE1 3.75Å; H396-E400 PolarHBondContact ND1-OE1 3.48Å; H396-E400 IonicContact ND1-OE2 3.66Å; H396-E400 PolarHBondContact ND1-OE2 3.45Å; H396-E400 WeakPolarHBondContact O-CG 3.44Å; H396-E400 PolarHBondContact O-N 3.25Å
397R90.9Very high86.1Confident106 Ų10664.1 Ų64.140%0.432%0.32SS..Hα-helixtrans-62.2-33.2177.3-171.7175-177.9179.8-1112.9M385 R388 D394 Y395 F401M385-R397 HydrophobicContact CE-CG 4.26Å; R388-R397 VanDerWaalsContact CZ-NH1 3.34Å; D394-R397 HydrophobicContact CB-CB 4.08Å; D394-R397 PolarHBondContact O-N 3.08Å; D394-R397 WeakPolarHBondContact OD1-CB 2.97Å; D394-R397 PolarHBondContact OD1-N 2.98Å; D394-R397 WeakPolarHBondContact OD2-CB 3.5Å; Y395-R397 PolarHBondContact O-N 3Å; R397-F401 WeakPolarHBondContact O-CB 3.42Å; R397-F401 PolarHBondContact O-N 3.36Å
398S90.9Very high85.3Confident0 Ų061.1 Ų61.10%031%0.307CS..Hα-helixtrans-65.8-41.8174.8-59.30000111.7D394 Y395 H396 I402D394-S398 PolarHBondContact O-N 3.2Å; D394-S398 VanDerWaalsContact O-N 3.13Å; D394-S398 PolarHBondContact O-OG 2.84Å; Y395-S398 WeakPolarHBondContact O-CB 3.34Å; Y395-S398 PolarHBondContact O-N 3.43Å; H396-S398 PolarHBondContact O-N 3.09Å; S398-I402 VanDerWaalsContact O-CG1 3.32Å; S398-I402 WeakPolarHBondContact O-CG1 3.43Å; S398-I402 PolarHBondContact O-N 3.36Å
399V88.6Confident84.3Confident22 Ų2269.8 Ų69.813%0.13334%0.339CS..Hα-helixtrans-67.4-47.1176.21740000111.2Y395 H396 F401 I402 Q403 L422 F436Y395-V399 HydrophobicContact CD1-CG2 4.21Å; Y395-V399 HydrophobicContact CE1-CG2 3.69Å; Y395-V399 HydrophobicContact CE2-CG2 4.06Å; Y395-V399 WeakPolarHBondContact O-CG2 3.32Å; Y395-V399 PolarHBondContact O-N 3.38Å; H396-V399 PolarHBondContact O-N 2.84Å; H396-V399 VanDerWaalsContact O-N 3.1Å; V399-F401 VanDerWaalsContact C-N 3.29Å; V399-F401 PolarHBondContact O-N 2.92Å; V399-I402 PolarHBondContact O-N 3.48Å; V399-I402 VanDerWaalsContact O-N 3.1Å; V399-Q403 HydrophobicContact CG1-CG 4.34Å; V399-Q403 WeakPolarHBondContact O-CG 3.35Å; V399-Q403 PolarHBondContact O-N 2.77Å; V399-L422 HydrophobicContact CG2-CD2 3.98Å; V399-F436 HydrophobicContact CG2-CE1 4.12Å
400E91Very high83.3Confident83 Ų8370.4 Ų70.439%0.38834%0.343SS..Hα-helixtrans-55-46.5176-73.1175.9139.700111H396 I402 Q403 D404H396-E400 IonicContact CE1-OE1 3.46Å; H396-E400 PolarHBondContact CE1-OE1 3.01Å; H396-E400 IonicContact CE1-OE2 3.5Å; H396-E400 IonicContact ND1-OE1 3.75Å; H396-E400 PolarHBondContact ND1-OE1 3.48Å; H396-E400 IonicContact ND1-OE2 3.66Å; H396-E400 PolarHBondContact ND1-OE2 3.45Å; H396-E400 WeakPolarHBondContact O-CG 3.44Å; H396-E400 PolarHBondContact O-N 3.25Å; E400-I402 VanDerWaalsContact C-N 3.31Å; E400-I402 PolarHBondContact O-N 3.46Å; E400-Q403 PolarHBondContact O-N 2.67Å; E400-D404 WeakPolarHBondContact O-CB 3.38Å; E400-D404 VanDerWaalsContact O-CG 3.32Å; E400-D404 PolarHBondContact O-N 3.09Å
401F89.3Confident82.5Confident17 Ų1770.7 Ų70.78%0.07535%0.348CS..Hα-helixtrans-60-39.3177.7-178.4-98.8000113Y363 R381 L382 M385 R397 V399 C405 L418Y363-F401 WeakPolarHBondContact OH-CZ 3.44Å; R381-F401 HydrophobicContact CB-CE2 4.46Å; L382-F401 HydrophobicContact CD1-CE1 4.11Å; L382-F401 HydrophobicContact CD1-CZ 4.41Å; M385-F401 HydrophobicContact CB-CD1 3.94Å; M385-F401 HydrophobicContact CB-CE1 3.88Å; M385-F401 HydrophobicContact CB-CG 4.33Å; M385-F401 HydrophobicContact CB-CZ 4.25Å; M385-F401 HydrophobicContact CE-CB 3.77Å; M385-F401 HydrophobicContact CE-CD1 4.46Å; M385-F401 HydrophobicContact CE-CD2 3.83Å; M385-F401 HydrophobicContact CE-CG 3.77Å; M385-F401 HydrophobicContact CG-CB 4.11Å; M385-F401 HydrophobicContact CG-CD1 3.54Å; M385-F401 HydrophobicContact CG-CE1 4.02Å; M385-F401 HydrophobicContact CG-CG 3.8Å; M385-F401 HydrophobicContact SD-CB 4.24Å; M385-F401 HydrophobicContact SD-CG 4.4Å; R397-F401 WeakPolarHBondContact O-CB 3.42Å; R397-F401 PolarHBondContact O-N 3.36Å; V399-F401 VanDerWaalsContact C-N 3.29Å; V399-F401 PolarHBondContact O-N 2.92Å; F401-C405 PolarHBondContact O-N 2.91Å; F401-C405 PolarHBondContact O-SG 3.45Å; F401-L418 HydrophobicContact CD1-CD1 4.19Å; F401-L418 HydrophobicContact CE1-CD1 3.83Å
402I83.5Confident81.6Confident4 Ų473 Ų732%0.02136%0.361CS..Hα-helixtrans-70.5-41.1177.2-61.8165.3000111M389 S398 V399 E400 D404 C405 M406 L418 L419 L422 F436M389-I402 HydrophobicContact CE-CD1 3.72Å; M389-I402 HydrophobicContact CE-CG1 3.92Å; S398-I402 VanDerWaalsContact O-CG1 3.32Å; S398-I402 WeakPolarHBondContact O-CG1 3.43Å; S398-I402 PolarHBondContact O-N 3.36Å; V399-I402 PolarHBondContact O-N 3.48Å; V399-I402 VanDerWaalsContact O-N 3.1Å; E400-I402 VanDerWaalsContact C-N 3.31Å; E400-I402 PolarHBondContact O-N 3.46Å; I402-D404 VanDerWaalsContact C-N 3.29Å; I402-D404 PolarHBondContact O-N 2.93Å; I402-C405 WeakPolarHBondContact O-CB 3.34Å; I402-C405 PolarHBondContact O-N 3.09Å; I402-M406 HydrophobicContact CG2-CE 3.91Å; I402-M406 HydrophobicContact CG2-SD 4.46Å; I402-M406 WeakPolarHBondContact O-CG 3.49Å; I402-M406 PolarHBondContact O-N 3.44Å; I402-L418 HydrophobicContact CD1-CB 4.02Å; I402-L418 HydrophobicContact CG1-CB 3.82Å; I402-L418 HydrophobicContact CG1-CD1 4.34Å; I402-L419 HydrophobicContact CB-CD2 4.44Å; I402-L419 HydrophobicContact CD1-CD2 4.11Å; I402-L419 HydrophobicContact CG2-CD2 3.48Å; I402-L419 VanDerWaalsContact CG2-CD2 3.48Å; I402-L419 HydrophobicContact CG2-CG 4.01Å; I402-L422 HydrophobicContact CD1-CB 4.44Å; I402-L422 HydrophobicContact CD1-CD2 3.98Å; I402-F436 HydrophobicContact CD1-CZ 4.47Å
403Q85.7Confident81Confident115 Ų11569.3 Ų69.354%0.53735%0.352SS..Hα-helixtrans-60-41.8175-71.1174.3-16.200111V399 E400 M406 A407V399-Q403 HydrophobicContact CG1-CG 4.34Å; V399-Q403 WeakPolarHBondContact O-CG 3.35Å; V399-Q403 PolarHBondContact O-N 2.77Å; E400-Q403 PolarHBondContact O-N 2.67Å; Q403-M406 PolarHBondContact O-N 3.37Å; Q403-A407 WeakPolarHBondContact O-CB 3.29Å; Q403-A407 PolarHBondContact O-N 3.35Å
404D82.2Confident80.4Confident73 Ų7366.9 Ų66.939%0.3934%0.341SS..Hα-helixtrans-61.1-45.8173.7-73.3-15.8000111.5E400 I402 M406 A407 Q408E400-D404 WeakPolarHBondContact O-CB 3.38Å; E400-D404 VanDerWaalsContact O-CG 3.32Å; E400-D404 PolarHBondContact O-N 3.09Å; I402-D404 VanDerWaalsContact C-N 3.29Å; I402-D404 PolarHBondContact O-N 2.93Å; D404-M406 VanDerWaalsContact C-N 3.28Å; D404-M406 PolarHBondContact O-N 2.73Å; D404-A407 PolarHBondContact O-N 2.84Å; D404-Q408 WeakPolarHBondContact O-CB 3.42Å; D404-Q408 VanDerWaalsContact O-CG 3.22Å; D404-Q408 WeakPolarHBondContact O-CG 3.33Å; D404-Q408 PolarHBondContact O-N 3.06Å; D404-Q408 PolarHBondContact O-NE2 2.79Å
405C78Confident80Confident2 Ų263.2 Ų63.21%0.01432%0.322CS..Hα-helixtrans-57.7-40.4175-710000112.1F401 I402 R409 L410 T415F401-C405 PolarHBondContact O-N 2.91Å; F401-C405 PolarHBondContact O-SG 3.45Å; I402-C405 WeakPolarHBondContact O-CB 3.34Å; I402-C405 PolarHBondContact O-N 3.09Å; C405-R409 PolarHBondContact O-N 2.92Å; C405-L410 HydrophobicContact CB-CD1 3.74Å; C405-L410 HydrophobicContact CB-CG 4.33Å; C405-L410 WeakPolarHBondContact O-CB 3.44Å; C405-L410 WeakPolarHBondContact O-CG 3.36Å; C405-L410 PolarHBondContact O-N 3.38Å; C405-L410 VanDerWaalsContact O-N 3.08Å; C405-T415 HydrophobicContact CB-CG2 3.7Å
406M78.5Confident79.5Confident85 Ų8564.5 Ų64.542%0.41933%0.329SS..Hα-helixtrans-70.4-43.4177.5-70.5178.8174.900112.3I402 Q403 D404 Q408 R409 T415 L419I402-M406 HydrophobicContact CG2-CE 3.91Å; I402-M406 HydrophobicContact CG2-SD 4.46Å; I402-M406 WeakPolarHBondContact O-CG 3.49Å; I402-M406 PolarHBondContact O-N 3.44Å; Q403-M406 PolarHBondContact O-N 3.37Å; D404-M406 VanDerWaalsContact C-N 3.28Å; D404-M406 PolarHBondContact O-N 2.73Å; M406-Q408 PolarHBondContact O-N 3.24Å; M406-R409 WeakPolarHBondContact O-CA 3.19Å; M406-R409 PolarHBondContact O-N 3.2Å; M406-T415 HydrophobicContact CG-CG2 3.74Å; M406-L419 HydrophobicContact CE-CD1 3.44Å; M406-L419 VanDerWaalsContact CE-CD1 3.44Å; M406-L419 HydrophobicContact CE-CD2 3.78Å; M406-L419 HydrophobicContact CE-CG 3.96Å
407A72.5Confident79.2Confident80 Ų8058.7 Ų58.766%0.66130%0.302SS*.Hα-helixtrans-59.6-35.1176.500000111.5Q403 D404 R409Q403-A407 WeakPolarHBondContact O-CB 3.29Å; Q403-A407 PolarHBondContact O-N 3.35Å; D404-A407 PolarHBondContact O-N 2.84Å; A407-R409 PolarHBondContact O-N 3.29Å
408Q71.8Confident79Confident50 Ų5053.7 Ų53.723%0.23428%0.283CS..THydrogen-bonded Turntrans-77.5-2.9174-68.1171.247.100114.2D404 M406 L410D404-Q408 WeakPolarHBondContact O-CB 3.42Å; D404-Q408 VanDerWaalsContact O-CG 3.22Å; D404-Q408 WeakPolarHBondContact O-CG 3.33Å; D404-Q408 PolarHBondContact O-N 3.06Å; D404-Q408 PolarHBondContact O-NE2 2.79Å; M406-Q408 PolarHBondContact O-N 3.24Å; Q408-L410 VanDerWaalsContact C-N 3.27Å; Q408-L410 HydrophobicContact CB-CG 4.32Å; Q408-L410 PolarHBondContact O-N 2.89Å
409R68.8Low78.7Confident229 Ų22955.2 Ų55.286%0.86429%0.291SS*.THydrogen-bonded Turntrans5739.7-178.4-53.3179.7178.9178.5-1112.8C405 M406 A407C405-R409 PolarHBondContact O-N 2.92Å; M406-R409 WeakPolarHBondContact O-CA 3.19Å; M406-R409 PolarHBondContact O-N 3.2Å; A407-R409 PolarHBondContact O-N 3.29Å
410L71.2Confident78.6Confident14 Ų1455 Ų557%0.07329%0.29CS..  trans-59.5154.8169.4-64-169.7000110.5Y363 C405 Q408 V412 T415Y363-L410 HydrophobicContact CD2-CD1 3.81Å; Y363-L410 HydrophobicContact CD2-CD2 3.85Å; Y363-L410 HydrophobicContact CE2-CD1 3.29Å; Y363-L410 HydrophobicContact CE2-CD2 4.22Å; Y363-L410 HydrophobicContact CE2-CG 4.42Å; Y363-L410 HydrophobicContact CG-CD2 4.41Å; C405-L410 HydrophobicContact CB-CD1 3.74Å; C405-L410 HydrophobicContact CB-CG 4.33Å; C405-L410 WeakPolarHBondContact O-CB 3.44Å; C405-L410 WeakPolarHBondContact O-CG 3.36Å; C405-L410 PolarHBondContact O-N 3.38Å; C405-L410 VanDerWaalsContact O-N 3.08Å; Q408-L410 VanDerWaalsContact C-N 3.27Å; Q408-L410 HydrophobicContact CB-CG 4.32Å; Q408-L410 PolarHBondContact O-N 2.89Å; L410-V412 PolarHBondContact O-N 3.11Å; L410-T415 HydrophobicContact CB-CG2 4.3Å
411P68.9Low78.6Confident74 Ų7451 Ų5148%0.48127%0.272SS..  trans-53.3139.6-179.5-26.334.5000112A413 V414 T415P411-A413 PolarHBondContact O-N 2.84Å; P411-A413 VanDerWaalsContact O-N 3.11Å; P411-V414 HydrophobicContact CB-CG2 4.42Å; P411-V414 WeakPolarHBondContact O-CB 3.14Å; P411-V414 PolarHBondContact O-N 3.49Å; P411-T415 PolarHBondContact O-N 2.91Å
412V69Low78.5Confident110 Ų11050.2 Ų50.267%0.66727%0.268SS*.Hα-helixtrans-53.6-37-178.71780000111.8L410 V414 T415 F416L410-V412 PolarHBondContact O-N 3.11Å; V412-V414 PolarHBondContact O-N 2.97Å; V412-T415 PolarHBondContact O-N 3Å; V412-T415 PolarHBondContact O-OG1 3.22Å; V412-F416 HydrophobicContact CG1-CB 4.16Å; V412-F416 WeakPolarHBondContact O-CA 3.44Å; V412-F416 WeakPolarHBondContact O-CB 3.19Å; V412-F416 PolarHBondContact O-N 3.43Å
413A71.5Confident78.6Confident41 Ų4151 Ų5134%0.33927%0.274SS..Hα-helixtrans-59.1-30176.900000113.9P411 G417 L499P411-A413 PolarHBondContact O-N 2.84Å; P411-A413 VanDerWaalsContact O-N 3.11Å; A413-G417 PolarHBondContact O-N 2.7Å; A413-L499 HydrophobicContact CB-CD1 4.02Å; A413-L499 WeakPolarHBondContact O-CD1 3.21Å
414V73.7Confident78.5Confident39 Ų3948 Ų4824%0.23626%0.263CS..Hα-helixtrans-78.3-54.7176.8178.50000109.8P411 V412 G417 L418P411-V414 HydrophobicContact CB-CG2 4.42Å; P411-V414 WeakPolarHBondContact O-CB 3.14Å; P411-V414 PolarHBondContact O-N 3.49Å; V412-V414 PolarHBondContact O-N 2.97Å; V414-G417 PolarHBondContact O-N 3.12Å; V414-L418 HydrophobicContact CG1-CD1 4.28Å; V414-L418 WeakPolarHBondContact O-CG 3.44Å; V414-L418 PolarHBondContact O-N 3.14Å
415T77.8Confident78.5Confident10 Ų1045.1 Ų45.16%0.06125%0.25CC..Hα-helixtrans-63.6-50.3-177500000110.9C405 M406 L410 P411 V412 G417 L418 L419C405-T415 HydrophobicContact CB-CG2 3.7Å; M406-T415 HydrophobicContact CG-CG2 3.74Å; L410-T415 HydrophobicContact CB-CG2 4.3Å; P411-T415 PolarHBondContact O-N 2.91Å; V412-T415 PolarHBondContact O-N 3Å; V412-T415 PolarHBondContact O-OG1 3.22Å; T415-G417 VanDerWaalsContact C-N 3.33Å; T415-G417 PolarHBondContact O-N 3.15Å; T415-L418 PolarHBondContact O-N 3.21Å; T415-L418 VanDerWaalsContact O-N 3.17Å; T415-L419 VanDerWaalsContact O-CG 3.28Å; T415-L419 WeakPolarHBondContact O-CG 3.36Å; T415-L419 PolarHBondContact O-N 2.96Å
416F76.4Confident78.4Confident79 Ų7947.4 Ų47.435%0.34626%0.26SS..Hα-helixtrans-63.5-36.9176.8-170.7-126.1000112.6V412 L418 L419 C420 L499V412-F416 HydrophobicContact CG1-CB 4.16Å; V412-F416 WeakPolarHBondContact O-CA 3.44Å; V412-F416 WeakPolarHBondContact O-CB 3.19Å; V412-F416 PolarHBondContact O-N 3.43Å; F416-L418 PolarHBondContact O-N 3.46Å; F416-L419 HydrophobicContact CD2-CD1 4.1Å; F416-L419 WeakPolarHBondContact O-CB 3.32Å; F416-L419 PolarHBondContact O-N 2.84Å; F416-C420 WeakPolarHBondContact O-CB 3.47Å; F416-C420 PolarHBondContact O-N 2.85Å; F416-C420 PolarHBondContact O-SG 3.13Å; F416-L499 HydrophobicContact CD1-CD1 4.17Å; F416-L499 HydrophobicContact CD1-CD2 3.37Å; F416-L499 HydrophobicContact CD1-CG 4.21Å; F416-L499 HydrophobicContact CE1-CD2 3.56Å; F416-L499 HydrophobicContact CG-CD2 4.45Å
417G83.9Confident78Confident0 Ų044.2 Ų44.20%025%0.249CC..Hα-helixtrans-61.4-41.3172.500000113.1A413 V414 T415 C420 L421A413-G417 PolarHBondContact O-N 2.7Å; V414-G417 PolarHBondContact O-N 3.12Å; T415-G417 VanDerWaalsContact C-N 3.33Å; T415-G417 PolarHBondContact O-N 3.15Å; G417-C420 PolarHBondContact O-N 2.86Å; G417-L421 WeakPolarHBondContact O-CB 3.37Å; G417-L421 PolarHBondContact O-N 3.15Å
418L86Confident77.6Confident0 Ų040.9 Ų40.90%022%0.222CC..Hα-helixtrans-68.7-40175.4-70.6170.7000112.5L382 E386 M389 F401 I402 V414 T415 F416 C420 L421 L422L382-L418 HydrophobicContact CD1-CD1 3.83Å; L382-L418 HydrophobicContact CD1-CD2 3.82Å; L382-L418 HydrophobicContact CD1-CG 4.21Å; E386-L418 HydrophobicContact CG-CD2 3.95Å; M389-L418 HydrophobicContact CE-CB 4.4Å; M389-L418 HydrophobicContact CE-CD2 4.24Å; M389-L418 HydrophobicContact SD-CD2 4.07Å; F401-L418 HydrophobicContact CD1-CD1 4.19Å; F401-L418 HydrophobicContact CE1-CD1 3.83Å; I402-L418 HydrophobicContact CD1-CB 4.02Å; I402-L418 HydrophobicContact CG1-CB 3.82Å; I402-L418 HydrophobicContact CG1-CD1 4.34Å; V414-L418 HydrophobicContact CG1-CD1 4.28Å; V414-L418 WeakPolarHBondContact O-CG 3.44Å; V414-L418 PolarHBondContact O-N 3.14Å; T415-L418 PolarHBondContact O-N 3.21Å; T415-L418 VanDerWaalsContact O-N 3.17Å; F416-L418 PolarHBondContact O-N 3.46Å; L418-C420 VanDerWaalsContact C-N 3.3Å; L418-C420 PolarHBondContact O-N 3.36Å; L418-L421 PolarHBondContact O-N 3.27Å; L418-L422 WeakPolarHBondContact O-CB 3.44Å; L418-L422 PolarHBondContact O-N 3.41Å
419L85Confident77.1Confident33 Ų3338.8 Ų38.817%0.17321%0.213CC..Hα-helixtrans-56.2-47.3171.9-67.4172.1000110.1I402 M406 T415 F416 S423 F436I402-L419 HydrophobicContact CB-CD2 4.44Å; I402-L419 HydrophobicContact CD1-CD2 4.11Å; I402-L419 HydrophobicContact CG2-CD2 3.48Å; I402-L419 VanDerWaalsContact CG2-CD2 3.48Å; I402-L419 HydrophobicContact CG2-CG 4.01Å; M406-L419 HydrophobicContact CE-CD1 3.44Å; M406-L419 VanDerWaalsContact CE-CD1 3.44Å; M406-L419 HydrophobicContact CE-CD2 3.78Å; M406-L419 HydrophobicContact CE-CG 3.96Å; T415-L419 VanDerWaalsContact O-CG 3.28Å; T415-L419 WeakPolarHBondContact O-CG 3.36Å; T415-L419 PolarHBondContact O-N 2.96Å; F416-L419 HydrophobicContact CD2-CD1 4.1Å; F416-L419 WeakPolarHBondContact O-CB 3.32Å; F416-L419 PolarHBondContact O-N 2.84Å; L419-S423 VanDerWaalsContact O-CB 3.31Å; L419-S423 WeakPolarHBondContact O-CB 3.4Å; L419-S423 PolarHBondContact O-N 3.06Å; L419-F436 HydrophobicContact CB-CE2 3.7Å; L419-F436 HydrophobicContact CB-CZ 4.26Å; L419-F436 HydrophobicContact CD1-CE2 4.4Å; L419-F436 HydrophobicContact CD2-CD2 3.77Å; L419-F436 HydrophobicContact CD2-CE1 4.44Å; L419-F436 HydrophobicContact CD2-CE2 2.93Å; L419-F436 HydrophobicContact CD2-CZ 3.32Å; L419-F436 HydrophobicContact CG-CE2 3.72Å; L419-F436 HydrophobicContact CG-CZ 4.29Å
420C86.4Confident76.8Confident17 Ų1730.7 Ų30.712%0.11519%0.19CC..Hα-helixtrans-64.4-44.6176.9-66.30000112.1F241 F416 G417 L418 S423 V424F241-C420 HydrophobicContact CD1-CB 3.77Å; F241-C420 HydrophobicContact CD2-CB 3.9Å; F241-C420 HydrophobicContact CE1-CB 3.58Å; F241-C420 HydrophobicContact CE2-CB 3.72Å; F241-C420 HydrophobicContact CG-CB 3.94Å; F241-C420 HydrophobicContact CZ-CB 3.55Å; F416-C420 WeakPolarHBondContact O-CB 3.47Å; F416-C420 PolarHBondContact O-N 2.85Å; F416-C420 PolarHBondContact O-SG 3.13Å; G417-C420 PolarHBondContact O-N 2.86Å; L418-C420 VanDerWaalsContact C-N 3.3Å; L418-C420 PolarHBondContact O-N 3.36Å; C420-S423 WeakPolarHBondContact O-CB 3.28Å; C420-S423 PolarHBondContact O-N 3Å; C420-V424 WeakPolarHBondContact O-CG2 3.43Å; C420-V424 PolarHBondContact O-N 2.8Å
421L89.7Confident75.8Confident0 Ų038.1 Ų38.10%022%0.224CC..Hα-helixtrans-61.7-47.2178.4-179.762.5000111.8A238 F241 L242 E386 M389 L390 G417 L418 S423 V424 A425A238-L421 HydrophobicContact CB-CD1 4.15Å; F241-L421 HydrophobicContact CB-CB 3.86Å; F241-L421 HydrophobicContact CB-CD1 4.25Å; L242-L421 HydrophobicContact CD2-CD1 3.85Å; L242-L421 HydrophobicContact CD2-CD2 3.71Å; L242-L421 HydrophobicContact CD2-CG 4.46Å; L242-L421 HydrophobicContact CG-CD1 4.27Å; E386-L421 HydrophobicContact CB-CD2 3.86Å; E386-L421 HydrophobicContact CG-CD2 3.77Å; M389-L421 HydrophobicContact CB-CD2 4.36Å; M389-L421 HydrophobicContact CB-CG 4.35Å; M389-L421 HydrophobicContact SD-CD2 4.13Å; M389-L421 HydrophobicContact SD-CG 4.38Å; L390-L421 HydrophobicContact CD2-CD1 3.97Å; G417-L421 WeakPolarHBondContact O-CB 3.37Å; G417-L421 PolarHBondContact O-N 3.15Å; L418-L421 PolarHBondContact O-N 3.27Å; L421-S423 VanDerWaalsContact C-N 3.28Å; L421-S423 PolarHBondContact O-N 2.88Å; L421-V424 PolarHBondContact O-N 2.87Å; L421-A425 VanDerWaalsContact O-CB 3.29Å; L421-A425 WeakPolarHBondContact O-CB 3.33Å; L421-A425 PolarHBondContact O-N 3.03Å
422L88.6Confident75.2Confident0 Ų043 Ų430%024%0.238CC..Hα-helixtrans-61-42177.6-177.163.8000110.6M389 Y395 V399 I402 L418 Q426 L429 F436M389-L422 HydrophobicContact CB-CD1 4.44Å; M389-L422 HydrophobicContact CE-CB 4.35Å; M389-L422 HydrophobicContact CG-CB 4.46Å; M389-L422 HydrophobicContact CG-CD1 3.96Å; M389-L422 HydrophobicContact SD-CB 4.08Å; Y395-L422 HydrophobicContact CD2-CD1 4.04Å; Y395-L422 HydrophobicContact CD2-CD2 4.27Å; Y395-L422 HydrophobicContact CD2-CG 4.38Å; Y395-L422 HydrophobicContact CE2-CD1 4.25Å; Y395-L422 HydrophobicContact CE2-CD2 3.8Å; Y395-L422 HydrophobicContact CE2-CG 4.09Å; V399-L422 HydrophobicContact CG2-CD2 3.98Å; I402-L422 HydrophobicContact CD1-CB 4.44Å; I402-L422 HydrophobicContact CD1-CD2 3.98Å; L418-L422 WeakPolarHBondContact O-CB 3.44Å; L418-L422 PolarHBondContact O-N 3.41Å; L422-Q426 HydrophobicContact CD1-CG 3.97Å; L422-Q426 WeakPolarHBondContact O-CB 3.42Å; L422-Q426 VanDerWaalsContact O-CG 3.31Å; L422-Q426 WeakPolarHBondContact O-CG 3.24Å; L422-Q426 PolarHBondContact O-N 3.2Å; L422-Q426 VanDerWaalsContact O-N 3.13Å; L422-L429 HydrophobicContact CB-CD2 4.24Å; L422-L429 HydrophobicContact CD2-CD2 3.7Å; L422-L429 HydrophobicContact CG-CD2 3.56Å; L422-F436 HydrophobicContact CD2-CE1 3.92Å; L422-F436 HydrophobicContact CD2-CZ 4.03Å
423S84.4Confident74.4Confident20 Ų2040 Ų4014%0.1422%0.218CC..Hα-helixtrans-58.2-55.1173.8176.70000112L419 C420 L421 A425 Q426 G427 G428 H437 F438L419-S423 VanDerWaalsContact O-CB 3.31Å; L419-S423 WeakPolarHBondContact O-CB 3.4Å; L419-S423 PolarHBondContact O-N 3.06Å; C420-S423 WeakPolarHBondContact O-CB 3.28Å; C420-S423 PolarHBondContact O-N 3Å; L421-S423 VanDerWaalsContact C-N 3.28Å; L421-S423 PolarHBondContact O-N 2.88Å; S423-A425 PolarHBondContact O-N 3.03Å; S423-Q426 PolarHBondContact O-N 3.39Å; S423-G427 PolarHBondContact O-N 3.47Å; S423-G428 WeakPolarHBondContact O-CA 3.31Å; S423-G428 PolarHBondContact O-N 3.47Å; S423-H437 WeakPolarHBondContact CB-O 3.49Å; S423-H437 PolarHBondContact OG-O 3.1Å; S423-F438 PolarHBondContact OG-O 2.87Å
424V84Confident73.1Confident52 Ų5240.8 Ų40.832%0.31521%0.212SC..Hα-helixtrans-60.4-48.7-179.7174.10000111.6P237 A238 F241 C420 L421 Q426 G427P237-V424 HydrophobicContact CB-CG2 4.19Å; P237-V424 HydrophobicContact CG-CG1 3.8Å; P237-V424 HydrophobicContact CG-CG2 3.83Å; A238-V424 HydrophobicContact CB-CG1 3.75Å; F241-V424 HydrophobicContact CD2-CG2 4.44Å; F241-V424 HydrophobicContact CE2-CG2 4.28Å; C420-V424 WeakPolarHBondContact O-CG2 3.43Å; C420-V424 PolarHBondContact O-N 2.8Å; L421-V424 PolarHBondContact O-N 2.87Å; V424-Q426 VanDerWaalsContact C-N 3.31Å; V424-Q426 PolarHBondContact O-N 3.38Å; V424-G427 PolarHBondContact O-N 3.09Å; V424-G427 VanDerWaalsContact O-N 3.17Å
425A82.7Confident72Confident13 Ų1349 Ų4911%0.10725%0.245CC..Hα-helixtrans-64.5-35.6-174.100000112.7M389 K392 L421 S423 G427M389-A425 WeakPolarHBondContact O-CB 3.18Å; K392-A425 WeakPolarHBondContact CD-O 3.41Å; K392-A425 WeakPolarHBondContact CE-O 3.45Å; K392-A425 PolarHBondContact NZ-O 2.74Å; L421-A425 VanDerWaalsContact O-CB 3.29Å; L421-A425 WeakPolarHBondContact O-CB 3.33Å; L421-A425 PolarHBondContact O-N 3.03Å; S423-A425 PolarHBondContact O-N 3.03Å; A425-G427 PolarHBondContact O-N 2.83Å
426Q76.4Confident69.9Low50 Ų5050.4 Ų50.423%0.23425%0.251CS..Hα-helixtrans-82.5-4.5-178.4-68.4-64-9.400113.3K392 Y395 L422 S423 V424 G428K392-Q426 VanDerWaalsContact CA-NE2 3.31Å; Y395-Q426 HydrophobicContact CD2-CG 4.32Å; L422-Q426 HydrophobicContact CD1-CG 3.97Å; L422-Q426 WeakPolarHBondContact O-CB 3.42Å; L422-Q426 VanDerWaalsContact O-CG 3.31Å; L422-Q426 WeakPolarHBondContact O-CG 3.24Å; L422-Q426 PolarHBondContact O-N 3.2Å; L422-Q426 VanDerWaalsContact O-N 3.13Å; S423-Q426 PolarHBondContact O-N 3.39Å; V424-Q426 VanDerWaalsContact C-N 3.31Å; V424-Q426 PolarHBondContact O-N 3.38Å; Q426-G428 WeakPolarHBondContact CB-O 3.01Å
427G68.8Low67.8Low18 Ų1852 Ų5219%0.18626%0.259CS..THydrogen-bonded Turntrans55.356.7-162.500000107S423 V424 A425 K439 E440S423-G427 PolarHBondContact O-N 3.47Å; V424-G427 PolarHBondContact O-N 3.09Å; V424-G427 VanDerWaalsContact O-N 3.17Å; A425-G427 PolarHBondContact O-N 2.83Å; G427-K439 WeakPolarHBondContact O-CA 3.41Å; G427-K439 WeakPolarHBondContact O-CG 3.3Å; G427-E440 PolarHBondContact O-N 3.26Å
428G64.6Low65.2Low9 Ų957.2 Ų57.29%0.09328%0.282CS..SBendtrans87.7171.8179.200000117.9S423 Q426 H437 F438S423-G428 WeakPolarHBondContact O-CA 3.31Å; S423-G428 PolarHBondContact O-N 3.47Å; Q426-G428 WeakPolarHBondContact CB-O 3.01Å; G428-H437 CarbonylContact C-O 3.58Å; G428-H437 WeakPolarHBondContact CA-O 3.45Å; G428-F438 WeakPolarHBondContact CA-O 3.48Å
429L62.2Low62.5Low7 Ų762.2 Ų62.24%0.03730%0.304CS..  trans-108.9139.4179.3-56.7161.9000108.1Y395 L422 Y434 F436 H437 F438Y395-L429 HydrophobicContact CE2-CD2 3.53Å; L422-L429 HydrophobicContact CB-CD2 4.24Å; L422-L429 HydrophobicContact CD2-CD2 3.7Å; L422-L429 HydrophobicContact CG-CD2 3.56Å; L429-Y434 WeakPolarHBondContact O-CD2 3.5Å; L429-F436 HydrophobicContact CB-CD1 4.17Å; L429-F436 HydrophobicContact CB-CE1 4.47Å; L429-F436 WeakPolarHBondContact CB-O 3.3Å; L429-F436 HydrophobicContact CD1-CB 4.38Å; L429-F436 HydrophobicContact CD1-CD1 3.53Å; L429-F436 HydrophobicContact CD1-CD2 3.55Å; L429-F436 HydrophobicContact CD1-CE1 3.4Å; L429-F436 HydrophobicContact CD1-CE2 3.25Å; L429-F436 HydrophobicContact CD1-CG 3.6Å; L429-F436 HydrophobicContact CD1-CZ 3.24Å; L429-F436 HydrophobicContact CD2-CD1 4.01Å; L429-F436 HydrophobicContact CD2-CE1 3.47Å; L429-F436 VanDerWaalsContact CD2-CE1 3.47Å; L429-F436 HydrophobicContact CD2-CZ 3.84Å; L429-F436 HydrophobicContact CG-CD1 4.08Å; L429-F436 HydrophobicContact CG-CE1 3.93Å; L429-F436 HydrophobicContact CG-CZ 4.16Å; L429-H437 VanDerWaalsContact CB-C 3.46Å; L429-H437 VanDerWaalsContact CB-O 3.24Å; L429-H437 WeakPolarHBondContact CB-O 3.5Å; L429-H437 VanDerWaalsContact CD1-O 3.24Å; L429-H437 WeakPolarHBondContact CD1-O 3.47Å; L429-H437 WeakPolarHBondContact CG-O 3.23Å; L429-H437 PolarHBondContact N-O 2.99Å; L429-F438 VanDerWaalsContact N-N 3.15Å; L429-F438 PolarHBondContact O-N 2.96Å
430P62.3Low59.8Low59 Ų5966.6 Ų66.638%0.38332%0.323SS..  trans-65.4152.5-169.7-22.634000115.3Y395 K432 D433 Y434Y395-P430 HydrophobicContact CE1-CG 4.42Å; Y395-P430 WeakPolarHBondContact OH-CD 3.4Å; P430-K432 VanDerWaalsContact C-N 3.3Å; P430-K432 HydrophobicContact CB-CG 4.49Å; P430-K432 PolarHBondContact O-N 3Å; P430-D433 CarbonylContact O-C 3.47Å; P430-D433 VanDerWaalsContact O-CA 3.24Å; P430-D433 WeakPolarHBondContact O-CA 3.3Å; P430-D433 VanDerWaalsContact O-CB 3.31Å; P430-D433 WeakPolarHBondContact O-CB 3.48Å; P430-D433 PolarHBondContact O-N 3.17Å; P430-Y434 VanDerWaalsContact O-CB 3.24Å; P430-Y434 WeakPolarHBondContact O-CB 3.47Å; P430-Y434 PolarHBondContact O-N 3.49Å
431Q49.8Very low56.9Low169 Ų16973 Ų7379%0.7936%0.355SS*.THydrogen-bonded Turntrans-49.1-33.3-169.9-112.8178.68.100118.4D433 Y434Q431-D433 VanDerWaalsContact C-N 3.35Å; Q431-Y434 HydrophobicContact CG-CD1 3.65Å; Q431-Y434 HydrophobicContact CG-CG 4.26Å; Q431-Y434 WeakPolarHBondContact O-CB 3.38Å; Q431-Y434 PolarHBondContact O-N 2.99Å
432K56Low53.9Low178 Ų17880 Ų8077%0.77439%0.393SS*.THydrogen-bonded Turntrans-73.3-28.3175.361.1-179.3-178.5171.40113.3P430P430-K432 VanDerWaalsContact C-N 3.3Å; P430-K432 HydrophobicContact CB-CG 4.49Å; P430-K432 PolarHBondContact O-N 3Å
433D53Low50.9Low45 Ų4588.1 Ų88.124%0.24143%0.431CS..THydrogen-bonded Turntrans-86.3-42171-59.8-56.5000107.2Y395 P430 Q431 F435 F436Y395-D433 PolarHBondContact OH-OD2 3.35Å; P430-D433 CarbonylContact O-C 3.47Å; P430-D433 VanDerWaalsContact O-CA 3.24Å; P430-D433 WeakPolarHBondContact O-CA 3.3Å; P430-D433 VanDerWaalsContact O-CB 3.31Å; P430-D433 WeakPolarHBondContact O-CB 3.48Å; P430-D433 PolarHBondContact O-N 3.17Å; Q431-D433 VanDerWaalsContact C-N 3.35Å; D433-F435 CarbonylContact O-C 3.22Å; D433-F435 WeakPolarHBondContact O-CA 3.46Å; D433-F435 WeakPolarHBondContact O-CB 3.32Å; D433-F435 PolarHBondContact O-N 2.85Å; D433-F435 VanDerWaalsContact O-O 3.14Å; D433-F436 VanDerWaalsContact C-CB 3.41Å; D433-F436 CarbonylContact C-O 3.53Å; D433-F436 HydrophobicContact CB-CB 4.11Å; D433-F436 HydrophobicContact CB-CD1 4.08Å; D433-F436 WeakPolarHBondContact O-CA 3.28Å; D433-F436 WeakPolarHBondContact O-CB 3.37Å; D433-F436 PolarHBondContact O-N 3.18Å
434Y43.6Very low48Very low58 Ų5891.4 Ų91.423%0.22746%0.459CS..  trans-51.4-7.7-166.4-159.5-125.1000127.2L429 P430 Q431 F436 H437 F438L429-Y434 WeakPolarHBondContact O-CD2 3.5Å; P430-Y434 VanDerWaalsContact O-CB 3.24Å; P430-Y434 WeakPolarHBondContact O-CB 3.47Å; P430-Y434 PolarHBondContact O-N 3.49Å; Q431-Y434 HydrophobicContact CG-CD1 3.65Å; Q431-Y434 HydrophobicContact CG-CG 4.26Å; Q431-Y434 WeakPolarHBondContact O-CB 3.38Å; Q431-Y434 PolarHBondContact O-N 2.99Å; Y434-F436 WeakPolarHBondContact CA-O 3.47Å; Y434-F436 PolarHBondContact N-O 3.06Å; Y434-F436 PolarHBondContact O-N 2.83Å; Y434-H437 VanDerWaalsContact CD2-C 3.44Å; Y434-H437 HydrophobicContact CD2-CB 4.22Å; Y434-H437 VanDerWaalsContact CE2-C 3.47Å; Y434-H437 HydrophobicContact CE2-CB 3.82Å; Y434-H437 AromaticContact CE2-CG 3.91Å; Y434-H437 PolarHBondContact O-CE1 2.88Å; Y434-H437 PolarHBondContact O-ND1 2.76Å; Y434-H437 VanDerWaalsContact O-ND1 3.16Å; Y434-F438 HydrophobicContact CD1-CD2 4.11Å; Y434-F438 HydrophobicContact CD2-CB 3.95Å; Y434-F438 AromaticContact CD2-CD2 3.94Å; Y434-F438 HydrophobicContact CD2-CD2 3.94Å; Y434-F438 HydrophobicContact CD2-CG 4.36Å; Y434-F438 HydrophobicContact CE1-CB 4.39Å; Y434-F438 AromaticContact CE1-CD2 3.31Å; Y434-F438 HydrophobicContact CE1-CD2 3.31Å; Y434-F438 AromaticContact CE1-CE2 3.78Å; Y434-F438 HydrophobicContact CE1-CE2 3.78Å; Y434-F438 AromaticContact CE1-CG 3.97Å; Y434-F438 HydrophobicContact CE1-CG 3.97Å; Y434-F438 HydrophobicContact CE2-CB 3Å; Y434-F438 AromaticContact CE2-CD2 3.4Å; Y434-F438 HydrophobicContact CE2-CD2 3.4Å; Y434-F438 VanDerWaalsContact CE2-CD2 3.4Å; Y434-F438 AromaticContact CE2-CG 3.48Å; Y434-F438 HydrophobicContact CE2-CG 3.48Å; Y434-F438 VanDerWaalsContact CE2-CG 3.48Å; Y434-F438 HydrophobicContact CG-CD2 4.41Å; Y434-F438 AromaticContact CZ-CD2 2.95Å; Y434-F438 AromaticContact CZ-CE2 3.84Å; Y434-F438 AromaticContact CZ-CG 3.14Å; Y434-F438 WeakPolarHBondContact OH-CB 3.43Å; Y434-F438 WeakPolarHBondContact OH-CD1 3.44Å; Y434-F438 WeakPolarHBondContact OH-CD2 3.47Å; Y434-F438 WeakPolarHBondContact OH-CG 3.41Å
435F51.1Low45.1Very low211 Ų211100 Ų10093%0.92549%0.486SS*.SBend7.1-6.171.2-91.5-93.6000121.4D433D433-F435 CarbonylContact O-C 3.22Å; D433-F435 WeakPolarHBondContact O-CA 3.46Å; D433-F435 WeakPolarHBondContact O-CB 3.32Å; D433-F435 PolarHBondContact O-N 2.85Å; D433-F435 VanDerWaalsContact O-O 3.14Å
436F33.1Very low42.5Very low40 Ų40106.7 Ų106.718%0.17551%0.513CS..SBendtrans170.4100.2-169-175.4-123.4000103.1V399 I402 L419 L422 L429 D433 Y434V399-F436 HydrophobicContact CG2-CE1 4.12Å; I402-F436 HydrophobicContact CD1-CZ 4.47Å; L419-F436 HydrophobicContact CB-CE2 3.7Å; L419-F436 HydrophobicContact CB-CZ 4.26Å; L419-F436 HydrophobicContact CD1-CE2 4.4Å; L419-F436 HydrophobicContact CD2-CD2 3.77Å; L419-F436 HydrophobicContact CD2-CE1 4.44Å; L419-F436 HydrophobicContact CD2-CE2 2.93Å; L419-F436 HydrophobicContact CD2-CZ 3.32Å; L419-F436 HydrophobicContact CG-CE2 3.72Å; L419-F436 HydrophobicContact CG-CZ 4.29Å; L422-F436 HydrophobicContact CD2-CE1 3.92Å; L422-F436 HydrophobicContact CD2-CZ 4.03Å; L429-F436 HydrophobicContact CB-CD1 4.17Å; L429-F436 HydrophobicContact CB-CE1 4.47Å; L429-F436 WeakPolarHBondContact CB-O 3.3Å; L429-F436 HydrophobicContact CD1-CB 4.38Å; L429-F436 HydrophobicContact CD1-CD1 3.53Å; L429-F436 HydrophobicContact CD1-CD2 3.55Å; L429-F436 HydrophobicContact CD1-CE1 3.4Å; L429-F436 HydrophobicContact CD1-CE2 3.25Å; L429-F436 HydrophobicContact CD1-CG 3.6Å; L429-F436 HydrophobicContact CD1-CZ 3.24Å; L429-F436 HydrophobicContact CD2-CD1 4.01Å; L429-F436 HydrophobicContact CD2-CE1 3.47Å; L429-F436 VanDerWaalsContact CD2-CE1 3.47Å; L429-F436 HydrophobicContact CD2-CZ 3.84Å; L429-F436 HydrophobicContact CG-CD1 4.08Å; L429-F436 HydrophobicContact CG-CE1 3.93Å; L429-F436 HydrophobicContact CG-CZ 4.16Å; D433-F436 VanDerWaalsContact C-CB 3.41Å; D433-F436 CarbonylContact C-O 3.53Å; D433-F436 HydrophobicContact CB-CB 4.11Å; D433-F436 HydrophobicContact CB-CD1 4.08Å; D433-F436 WeakPolarHBondContact O-CA 3.28Å; D433-F436 WeakPolarHBondContact O-CB 3.37Å; D433-F436 PolarHBondContact O-N 3.18Å; Y434-F436 WeakPolarHBondContact CA-O 3.47Å; Y434-F436 PolarHBondContact N-O 3.06Å; Y434-F436 PolarHBondContact O-N 2.83Å
437H31.8Very low40Very low112 Ų112110.3 Ų110.352%0.51954%0.538SS..  trans-91.6142.7-137.7-7947.4000125.7S423 G428 L429 Y434S423-H437 WeakPolarHBondContact CB-O 3.49Å; S423-H437 PolarHBondContact OG-O 3.1Å; G428-H437 CarbonylContact C-O 3.58Å; G428-H437 WeakPolarHBondContact CA-O 3.45Å; L429-H437 VanDerWaalsContact CB-C 3.46Å; L429-H437 VanDerWaalsContact CB-O 3.24Å; L429-H437 WeakPolarHBondContact CB-O 3.5Å; L429-H437 VanDerWaalsContact CD1-O 3.24Å; L429-H437 WeakPolarHBondContact CD1-O 3.47Å; L429-H437 WeakPolarHBondContact CG-O 3.23Å; L429-H437 PolarHBondContact N-O 2.99Å; Y434-H437 VanDerWaalsContact CD2-C 3.44Å; Y434-H437 HydrophobicContact CD2-CB 4.22Å; Y434-H437 VanDerWaalsContact CE2-C 3.47Å; Y434-H437 HydrophobicContact CE2-CB 3.82Å; Y434-H437 AromaticContact CE2-CG 3.91Å; Y434-H437 PolarHBondContact O-CE1 2.88Å; Y434-H437 PolarHBondContact O-ND1 2.76Å; Y434-H437 VanDerWaalsContact O-ND1 3.16Å
438F30Very low38.1Very low110 Ų110113.8 Ų113.848%0.48257%0.565SS.*  trans5.5174.7139.8-121.7-129.9000124.2S423 G428 L429 Y434S423-F438 PolarHBondContact OG-O 2.87Å; G428-F438 WeakPolarHBondContact CA-O 3.48Å; L429-F438 VanDerWaalsContact N-N 3.15Å; L429-F438 PolarHBondContact O-N 2.96Å; Y434-F438 HydrophobicContact CD1-CD2 4.11Å; Y434-F438 HydrophobicContact CD2-CB 3.95Å; Y434-F438 AromaticContact CD2-CD2 3.94Å; Y434-F438 HydrophobicContact CD2-CD2 3.94Å; Y434-F438 HydrophobicContact CD2-CG 4.36Å; Y434-F438 HydrophobicContact CE1-CB 4.39Å; Y434-F438 AromaticContact CE1-CD2 3.31Å; Y434-F438 HydrophobicContact CE1-CD2 3.31Å; Y434-F438 AromaticContact CE1-CE2 3.78Å; Y434-F438 HydrophobicContact CE1-CE2 3.78Å; Y434-F438 AromaticContact CE1-CG 3.97Å; Y434-F438 HydrophobicContact CE1-CG 3.97Å; Y434-F438 HydrophobicContact CE2-CB 3Å; Y434-F438 AromaticContact CE2-CD2 3.4Å; Y434-F438 HydrophobicContact CE2-CD2 3.4Å; Y434-F438 VanDerWaalsContact CE2-CD2 3.4Å; Y434-F438 AromaticContact CE2-CG 3.48Å; Y434-F438 HydrophobicContact CE2-CG 3.48Å; Y434-F438 VanDerWaalsContact CE2-CG 3.48Å; Y434-F438 HydrophobicContact CG-CD2 4.41Å; Y434-F438 AromaticContact CZ-CD2 2.95Å; Y434-F438 AromaticContact CZ-CE2 3.84Å; Y434-F438 AromaticContact CZ-CG 3.14Å; Y434-F438 WeakPolarHBondContact OH-CB 3.43Å; Y434-F438 WeakPolarHBondContact OH-CD1 3.44Å; Y434-F438 WeakPolarHBondContact OH-CD2 3.47Å; Y434-F438 WeakPolarHBondContact OH-CG 3.41Å
439K29.4Very low36.6Very low106 Ų106121 Ų12146%0.46160%0.596SS.*  -151133.8-59.2-170.1176.6-170.3-107.50108.6G427G427-K439 WeakPolarHBondContact O-CA 3.41Å; G427-K439 WeakPolarHBondContact O-CG 3.3Å
440E28.1Very low35.3Very low124 Ų124125.4 Ų125.458%0.57963%0.628SS**  trans45.5129.2161-73.5164.5-17700123.1G427G427-E440 PolarHBondContact O-N 3.26Å
441L26.2Very low34.1Very low151 Ų151132.8 Ų132.879%0.79165%0.654SS**  trans-151.6140.2149.7-102.9165.8000112.2
442N25.2Very low34Very low147 Ų147128.7 Ų128.779%0.78664%0.644SS**  trans-112.5136.1-168.5-98.2-34.5000114.2
443Q26.6Very low34.1Very low172 Ų172130.1 Ų130.180%0.80465%0.653SS**  trans-8.5130.8162.8-55.4176.915.300120.9
444A23.8Very low34.7Very low89 Ų89133.4 Ų133.474%0.73666%0.662SS**  trans-127.3126.1155.500000110.7
445R22.5Very low36.5Very low232 Ų232133.4 Ų133.488%0.87567%0.671SS**PPolyproline II helixtrans-97128.9177.3-72.3173.773.2164.51.8109.9
446F27.7Very low38.4Very low153 Ų153126.4 Ų126.467%0.67164%0.64SS**PPolyproline II helixtrans-85.9133.4172.3-89.3-90.2000111.8
447V24.2Very low41.3Very low127 Ų127124.6 Ų124.677%0.7763%0.632SS**PPolyproline II helixtrans-99.9128.6169.3175.90000108.7
448A28.8Very low44.3Very low90 Ų90121.4 Ų121.474%0.74462%0.617SS**PPolyproline II helixtrans-80.112617600000110.7
449Q32.9Very low47.5Very low161 Ų161116.2 Ų116.275%0.75259%0.594SS**  trans-126.3136.7165.8-86.4-169.1-3.700114.4
450S35.1Very low50.8Low100 Ų100111.8 Ų111.870%0.69958%0.576SS**  trans63.5146.1145.380.60000123.1K456S450-K456 PolarHBondContact O-NZ 3.21Å
451K38.4Very low54.1Low214 Ų214105.9 Ų105.993%0.9355%0.549SS*.  trans-80.1117.6-173.5-67.4174.6175.6177.70110.4
452S47.8Very low57.6Low82 Ų8299.3 Ų99.357%0.57351%0.513SS*.  trans-126.2135.4160.1167.80000107.1R454S452-R454 PolarHBondContact O-N 2.97Å; S452-R454 PolarHBondContact OG-N 3.33Å
453E57.6Low61Low208 Ų20892.3 Ų92.397%0.97248%0.476SS*.SBendtrans-71.2-9.1177.8-72.9-179158.400113.1
454R65.3Low64.4Low114 Ų11484.1 Ų84.143%0.4344%0.438SS..SBendtrans-82.5131.9174.4-136.3177.4-172.9178.9-4.1109.4M1 G2 S452 K456M1-R454 VanDerWaalsContact O-CZ 3.31Å; M1-R454 PolarHBondContact O-NE 3.16Å; M1-R454 PolarHBondContact O-NH2 3.13Å; G2-R454 PolarHBondContact O-NH2 2.84Å; S452-R454 PolarHBondContact O-N 2.97Å; S452-R454 PolarHBondContact OG-N 3.33Å; R454-K456 PolarHBondContact O-N 3.03Å; R454-K456 VanDerWaalsContact O-N 3.1Å
455S81.3Confident67.8Low59 Ų5979.9 Ų79.941%0.41340%0.403SS..PPolyproline II helixtrans-56.4119.1170.9-176.60000109.1N3N3-S455 PolarHBondContact ND2-O 2.76Å
456K90.6Very high71.4Confident64 Ų6468.8 Ų68.828%0.27836%0.361SS..PPolyproline II helixtrans-66134.6-179.9-66-173.4-179.5-172.30109.1S450 R454 F458 C483 E484S450-K456 PolarHBondContact O-NZ 3.21Å; R454-K456 PolarHBondContact O-N 3.03Å; R454-K456 VanDerWaalsContact O-N 3.1Å; K456-F458 HydrophobicContact CB-CD2 4.29Å; K456-F458 HydrophobicContact CB-CE2 3.52Å; K456-F458 HydrophobicContact CB-CZ 4.09Å; K456-F458 HydrophobicContact CD-CE2 4.25Å; K456-F458 HydrophobicContact CD-CZ 4.02Å; K456-F458 HydrophobicContact CG-CE2 4.5Å; K456-C483 HydrophobicContact CB-CB 4.35Å; K456-C483 VanDerWaalsContact O-CB 3.32Å; K456-C483 WeakPolarHBondContact O-CB 3.25Å; K456-E484 PolarHBondContact O-N 2.81Å
457V94.1Very high74.6Confident2 Ų261.9 Ų61.91%0.01233%0.331CS..EExtended strand (participates in β ladder)trans-113.7123.4172-173.30000108.2N3 C225 T226 H227 E484N3-V457 HydrophobicContact CB-CG2 3.99Å; N3-V457 VanDerWaalsContact CG-CG2 3.49Å; N3-V457 WeakPolarHBondContact ND2-CG2 3.47Å; C225-V457 HydrophobicContact CB-CB 3.99Å; C225-V457 HydrophobicContact CB-CG1 3.76Å; C225-V457 WeakPolarHBondContact CB-O 3.46Å; T226-V457 WeakPolarHBondContact CA-O 3.5Å; T226-V457 PolarHBondContact N-O 2.7Å; T226-V457 PolarHBondContact OG1-N 2.68Å; T226-V457 PolarHBondContact OG1-O 3.11Å; H227-V457 PolarHBondContact N-O 3.47Å; H227-V457 VanDerWaalsContact N-O 3.13Å; V457-E484 CarbonylContact C-O 3.53Å; V457-E484 WeakPolarHBondContact CA-O 3.41Å; V457-E484 HydrophobicContact CB-CB 4.37Å; V457-E484 HydrophobicContact CG1-CB 4.16Å; V457-E484 HydrophobicContact CG1-CG 4.17Å; V457-E484 HydrophobicContact CG2-CB 4.11Å
458F95.2Very high78Confident44 Ų4457 Ų5719%0.19330%0.299CS..EExtended strand (participates in β ladder)trans-107.9136.7176.2-63.6-98.3000109.5H227 I229 K456 V460 C483 E484 I485 R486H227-F458 HydrophobicContact CB-CD1 3.51Å; H227-F458 HydrophobicContact CB-CE1 3.66Å; H227-F458 HydrophobicContact CB-CG 4.36Å; H227-F458 AromaticContact CG-CD1 3.93Å; H227-F458 AromaticContact CG-CE1 3.53Å; H227-F458 AromaticContact ND1-CE1 3.72Å; H227-F458 AromaticContact ND1-CZ 3.9Å; H227-F458 WeakPolarHBondContact O-CA 3.39Å; I229-F458 HydrophobicContact CD1-CD1 4.48Å; K456-F458 HydrophobicContact CB-CD2 4.29Å; K456-F458 HydrophobicContact CB-CE2 3.52Å; K456-F458 HydrophobicContact CB-CZ 4.09Å; K456-F458 HydrophobicContact CD-CE2 4.25Å; K456-F458 HydrophobicContact CD-CZ 4.02Å; K456-F458 HydrophobicContact CG-CE2 4.5Å; F458-V460 HydrophobicContact CB-CG2 4.47Å; F458-C483 HydrophobicContact CE2-CB 4.27Å; F458-E484 PolarHBondContact N-O 3.3Å; F458-I485 HydrophobicContact CB-CG1 4.22Å; F458-I485 HydrophobicContact CD2-CG1 4.38Å; F458-I485 WeakPolarHBondContact O-CA 3.26Å; F458-R486 PolarHBondContact O-N 2.81Å
459L97.5Very high81Confident1 Ų154.7 Ų54.71%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-106.1115161.9176.164.7000107.7F183 F190 H227 V228 I229 V461 R486 A488F183-L459 HydrophobicContact CD1-CD2 4.27Å; F183-L459 HydrophobicContact CE1-CD2 3.8Å; F183-L459 HydrophobicContact CZ-CD1 4.36Å; F183-L459 HydrophobicContact CZ-CD2 4.02Å; F190-L459 HydrophobicContact CE1-CD2 3.67Å; F190-L459 HydrophobicContact CZ-CD2 3.94Å; H227-L459 PolarHBondContact O-N 2.91Å; V228-L459 CarbonylContact C-O 3.55Å; V228-L459 WeakPolarHBondContact CA-O 3.19Å; V228-L459 HydrophobicContact CG2-CB 4.26Å; V228-L459 HydrophobicContact CG2-CD2 4.42Å; I229-L459 PolarHBondContact N-O 3.29Å; L459-V461 HydrophobicContact CD1-CG2 4.41Å; L459-V461 HydrophobicContact CD2-CG2 4.18Å; L459-V461 HydrophobicContact CG-CG2 3.88Å; L459-R486 WeakPolarHBondContact CA-O 3.32Å; L459-R486 HydrophobicContact CD1-CB 4.03Å; L459-A488 HydrophobicContact CD1-CB 4.27Å
460V97.7Very high84Confident13 Ų1348.4 Ų48.48%0.07925%0.251CS..EExtended strand (participates in β ladder)trans-107119.2177.3-174.10000108.2I229 F458 F462 L474 I485 R486 I487 A488I229-V460 WeakPolarHBondContact O-CA 3.34Å; F458-V460 HydrophobicContact CB-CG2 4.47Å; V460-F462 HydrophobicContact CB-CE2 4.46Å; V460-F462 HydrophobicContact CG1-CD2 4.1Å; V460-F462 HydrophobicContact CG1-CE2 3.51Å; V460-F462 HydrophobicContact CG1-CZ 4.12Å; V460-L474 HydrophobicContact CB-CD1 4.32Å; V460-L474 HydrophobicContact CG1-CD1 4.21Å; V460-L474 HydrophobicContact CG2-CD2 4.39Å; V460-I485 HydrophobicContact CG2-CG2 3.96Å; V460-R486 PolarHBondContact N-O 3.09Å; V460-I487 CarbonylContact O-C 3.55Å; V460-I487 WeakPolarHBondContact O-CA 3.37Å; V460-A488 PolarHBondContact O-N 3.25Å
461V98.5Very high87Confident1 Ų143.8 Ų43.81%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-114113.8-175.2-169.80000109.7L180 I229 L230 F231 L459 L463 A488L180-V461 HydrophobicContact CD1-CG1 4.34Å; L180-V461 HydrophobicContact CD2-CG1 4.18Å; L180-V461 HydrophobicContact CD2-CG2 3.96Å; I229-V461 PolarHBondContact O-N 3.32Å; L230-V461 HydrophobicContact CD2-CB 3.53Å; L230-V461 HydrophobicContact CD2-CG1 4.13Å; L230-V461 HydrophobicContact CD2-CG2 3.54Å; F231-V461 PolarHBondContact N-O 3.26Å; L459-V461 HydrophobicContact CD1-CG2 4.41Å; L459-V461 HydrophobicContact CD2-CG2 4.18Å; L459-V461 HydrophobicContact CG-CG2 3.88Å; V461-L463 HydrophobicContact CG1-CD2 4.08Å; V461-A488 CarbonylContact C-O 3.58Å; V461-A488 WeakPolarHBondContact CA-O 3.4Å; V461-A488 HydrophobicContact CB-CB 4.47Å; V461-A488 HydrophobicContact CG1-CB 4.17Å; V461-A488 HydrophobicContact CG2-CB 4.19Å
462F98.4Very high89.7Confident12 Ų1234.1 Ų34.15%0.05318%0.178CC..EExtended strand (participates in β ladder)trans-91.8120.8176.3-71.9-99.4000111.5F231 V460 V466 E470 L474 I487 A488 A489 T490F231-F462 AromaticContact CD1-CD1 3.54Å; F231-F462 HydrophobicContact CD1-CD1 3.54Å; F231-F462 AromaticContact CD1-CE1 3.62Å; F231-F462 HydrophobicContact CD1-CE1 3.62Å; F231-F462 HydrophobicContact CE1-CD1 4.16Å; F231-F462 AromaticContact CE1-CE1 3.99Å; F231-F462 HydrophobicContact CE1-CE1 3.99Å; F231-F462 HydrophobicContact CG-CD1 4.33Å; F231-F462 HydrophobicContact CG-CE1 4.28Å; F231-F462 CarbonylContact O-C 3.31Å; F231-F462 WeakPolarHBondContact O-CA 3.4Å; V460-F462 HydrophobicContact CB-CE2 4.46Å; V460-F462 HydrophobicContact CG1-CD2 4.1Å; V460-F462 HydrophobicContact CG1-CE2 3.51Å; V460-F462 HydrophobicContact CG1-CZ 4.12Å; F462-V466 HydrophobicContact CB-CB 3.92Å; F462-V466 HydrophobicContact CD1-CB 4.18Å; F462-V466 HydrophobicContact CD1-CG2 4.09Å; F462-V466 HydrophobicContact CD2-CB 3.81Å; F462-V466 HydrophobicContact CD2-CG2 3.59Å; F462-V466 HydrophobicContact CE1-CG2 4.13Å; F462-V466 HydrophobicContact CE2-CB 4.36Å; F462-V466 HydrophobicContact CE2-CG2 3.62Å; F462-V466 HydrophobicContact CG-CB 3.71Å; F462-V466 HydrophobicContact CG-CG2 3.83Å; F462-V466 HydrophobicContact CZ-CG2 3.91Å; F462-E470 HydrophobicContact CZ-CB 4.37Å; F462-L474 HydrophobicContact CE2-CD1 3.7Å; F462-L474 HydrophobicContact CZ-CD1 4.07Å; F462-I487 HydrophobicContact CD2-CG2 4.31Å; F462-I487 HydrophobicContact CE2-CG2 4.4Å; F462-A488 PolarHBondContact N-O 3.33Å; F462-A489 HydrophobicContact CB-CB 4.05Å; F462-A489 CarbonylContact O-C 3.57Å; F462-A489 VanDerWaalsContact O-CA 3.29Å; F462-A489 WeakPolarHBondContact O-CA 3.38Å; F462-T490 PolarHBondContact O-N 2.87Å
463L98.1Very high91.8Very high0 Ų031.6 Ų31.60%017%0.165CC..EExtended strand (participates in β ladder)trans-100.2113.7175.2-55.6-172.4000109.1Y160 F165 V176 A201 V204 F231 D232 R233 V461 T490Y160-L463 HydrophobicContact CE1-CB 3.91Å; F165-L463 WeakPolarHBondContact CE2-O 3.47Å; V176-L463 HydrophobicContact CB-CD2 4.5Å; V176-L463 HydrophobicContact CG1-CD2 3.46Å; V176-L463 VanDerWaalsContact CG1-CD2 3.46Å; V176-L463 HydrophobicContact CG2-CD2 4.33Å; A201-L463 HydrophobicContact CB-CD1 4.15Å; V204-L463 HydrophobicContact CB-CD1 4.26Å; V204-L463 HydrophobicContact CG2-CD1 4.03Å; F231-L463 PolarHBondContact O-N 2.76Å; D232-L463 CarbonylContact C-O 3.59Å; D232-L463 WeakPolarHBondContact OD1-CD1 2.92Å; R233-L463 WeakPolarHBondContact CB-O 3.48Å; R233-L463 PolarHBondContact N-O 2.97Å; V461-L463 HydrophobicContact CG1-CD2 4.08Å; L463-T490 HydrophobicContact CD2-CG2 4.17Å
464G96.2Very high93.6Very high0 Ų022.9 Ų22.90%013%0.125CC..SBendtrans97.36.1-170.100000114.4Y160 T490Y160-G464 VanDerWaalsContact CD1-CA 3.47Å; G464-T490 WeakPolarHBondContact CA-OG1 3.2Å; G464-T490 PolarHBondContact N-OG1 3.16Å
465G96.6Very high95.1Very high0 Ų018.2 Ų18.20%011%0.107CC..  trans105.1154166.900000114.7R233 T490 S491R233-G465 WeakPolarHBondContact CD-O 3.46Å; R233-G465 PolarHBondContact NH1-O 3.36Å; G465-T490 PolarHBondContact N-OG1 3.11Å; G465-S491 CarbonylContact C-O 3.59Å; G465-S491 WeakPolarHBondContact CA-O 3.5Å
466V97.4Very high95.5Very high0 Ų020.1 Ų20.10%011%0.112CC..EExtended strand (participates in β ladder)trans-117.1140.1177.868.60000110.1F462 E470 I471 A489 S491 V492 I493F462-V466 HydrophobicContact CB-CB 3.92Å; F462-V466 HydrophobicContact CD1-CB 4.18Å; F462-V466 HydrophobicContact CD1-CG2 4.09Å; F462-V466 HydrophobicContact CD2-CB 3.81Å; F462-V466 HydrophobicContact CD2-CG2 3.59Å; F462-V466 HydrophobicContact CE1-CG2 4.13Å; F462-V466 HydrophobicContact CE2-CB 4.36Å; F462-V466 HydrophobicContact CE2-CG2 3.62Å; F462-V466 HydrophobicContact CG-CB 3.71Å; F462-V466 HydrophobicContact CG-CG2 3.83Å; F462-V466 HydrophobicContact CZ-CG2 3.91Å; V466-E470 HydrophobicContact CG2-CB 3.83Å; V466-I471 HydrophobicContact CG1-CD1 3.85Å; V466-I471 HydrophobicContact CG1-CG1 4.01Å; V466-I471 HydrophobicContact CG2-CG1 3.93Å; V466-A489 HydrophobicContact CB-CB 3.97Å; V466-A489 HydrophobicContact CG1-CB 3.5Å; V466-S491 PolarHBondContact N-O 2.88Å; V466-V492 HydrophobicContact CG1-CG2 4.23Å; V466-V492 WeakPolarHBondContact O-CA 3.32Å; V466-I493 PolarHBondContact O-N 3.31Å
467T95.9Very high95.4Very high8 Ų821 Ų215%0.04912%0.119CC..EExtended strand (participates in β ladder)trans-85.1157.3174.167.30000111.3V240 A469 E470 I471 I493V240-T467 HydrophobicContact CB-CG2 4.25Å; V240-T467 HydrophobicContact CG1-CG2 4.33Å; V240-T467 HydrophobicContact CG2-CG2 3.93Å; T467-A469 PolarHBondContact O-N 3.38Å; T467-E470 WeakPolarHBondContact CB-OE2 3.05Å; T467-E470 WeakPolarHBondContact CG2-OE2 2.86Å; T467-E470 PolarHBondContact N-OE2 3.42Å; T467-E470 PolarHBondContact O-N 3.15Å; T467-E470 WeakPolarHBondContact OG1-CB 3.27Å; T467-E470 VanDerWaalsContact OG1-CD 3.25Å; T467-E470 WeakPolarHBondContact OG1-CG 3.28Å; T467-E470 PolarHBondContact OG1-N 3.08Å; T467-E470 VanDerWaalsContact OG1-N 3.12Å; T467-E470 PolarHBondContact OG1-OE2 2.83Å; T467-I471 WeakPolarHBondContact O-CG1 3.36Å; T467-I471 PolarHBondContact O-N 3.05Å; T467-I493 HydrophobicContact CG2-CG1 4.38Å
468R95.2Very high95.3Very high25 Ų2521.7 Ų21.79%0.09413%0.125CC..Hα-helixtrans-63.5-30.3172.7-68.2178.4-171.4-61.3-7.8112.9D248 D252 L257 I471 A472 V492D248-R468 IonicContact OD1-NH1 2.73Å; D248-R468 VanDerWaalsContact OD2-CD 3.24Å; D248-R468 WeakPolarHBondContact OD2-CD 3.29Å; D248-R468 IonicContact OD2-CZ 2.84Å; D248-R468 IonicContact OD2-NE 2.76Å; D248-R468 IonicContact OD2-NH1 2.8Å; D248-R468 PolarHBondContact OD2-NH1 2.93Å; D252-R468 IonicContact OD2-CZ 3.55Å; D252-R468 IonicContact OD2-NE 2.76Å; D252-R468 PolarHBondContact OD2-NE 2.8Å; D252-R468 IonicContact OD2-NH2 2.76Å; D252-R468 PolarHBondContact OD2-NH2 2.78Å; D252-R468 VanDerWaalsContact OD2-NH2 3.13Å; L257-R468 PolarHBondContact O-NH2 2.89Å; R468-I471 PolarHBondContact O-N 2.86Å; R468-A472 WeakPolarHBondContact O-CB 3.47Å; R468-A472 PolarHBondContact O-N 3.5Å; R468-V492 HydrophobicContact CG-CG1 4.1Å
469A91.4Very high95.1Very high41 Ų4126.1 Ų26.134%0.33914%0.144SC..Hα-helixtrans-60.7-46.9172.900000111C244 T467 A472 G473C244-A469 HydrophobicContact CB-CB 4.24Å; C244-A469 WeakPolarHBondContact SG-CA 3.35Å; C244-A469 WeakPolarHBondContact SG-CB 3.39Å; C244-A469 PolarHBondContact SG-N 2.96Å; T467-A469 PolarHBondContact O-N 3.38Å; A469-A472 PolarHBondContact O-N 2.87Å; A469-G473 PolarHBondContact O-N 2.78Å
470E95.1Very high94.5Very high29 Ų2932.1 Ų32.114%0.13618%0.176CC..Hα-helixtrans-68.1-39.3179.3-71.2162.9136.700111.7R233 F462 V466 T467 A472 G473 L474R233-E470 IonicContact CZ-OE1 2.67Å; R233-E470 IonicContact CZ-OE2 3.06Å; R233-E470 IonicContact NH1-OE1 3.1Å; R233-E470 PolarHBondContact NH1-OE1 3.34Å; R233-E470 IonicContact NH1-OE2 3.89Å; R233-E470 PolarHBondContact NH1-OE2 2.84Å; R233-E470 IonicContact NH2-OE1 3.64Å; R233-E470 PolarHBondContact NH2-OE1 2.88Å; F462-E470 HydrophobicContact CZ-CB 4.37Å; V466-E470 HydrophobicContact CG2-CB 3.83Å; T467-E470 WeakPolarHBondContact CB-OE2 3.05Å; T467-E470 WeakPolarHBondContact CG2-OE2 2.86Å; T467-E470 PolarHBondContact N-OE2 3.42Å; T467-E470 PolarHBondContact O-N 3.15Å; T467-E470 WeakPolarHBondContact OG1-CB 3.27Å; T467-E470 VanDerWaalsContact OG1-CD 3.25Å; T467-E470 WeakPolarHBondContact OG1-CG 3.28Å; T467-E470 PolarHBondContact OG1-N 3.08Å; T467-E470 VanDerWaalsContact OG1-N 3.12Å; T467-E470 PolarHBondContact OG1-OE2 2.83Å; E470-A472 PolarHBondContact O-N 3.43Å; E470-G473 PolarHBondContact O-N 3.32Å; E470-L474 WeakPolarHBondContact O-CB 3.29Å; E470-L474 WeakPolarHBondContact O-CG 3.47Å; E470-L474 PolarHBondContact O-N 3.17Å
471I97.8Very high94Very high2 Ų240.3 Ų40.31%0.0121%0.205CC..Hα-helixtrans-57.3-51.1172.6-68.2161.9000110.3L152 V466 T467 R468 G473 L474 R475 I487 V492L152-I471 HydrophobicContact CD1-CD1 4.02Å; L152-I471 HydrophobicContact CD1-CG1 4.23Å; L152-I471 HydrophobicContact CD2-CD1 3.76Å; V466-I471 HydrophobicContact CG1-CD1 3.85Å; V466-I471 HydrophobicContact CG1-CG1 4.01Å; V466-I471 HydrophobicContact CG2-CG1 3.93Å; T467-I471 WeakPolarHBondContact O-CG1 3.36Å; T467-I471 PolarHBondContact O-N 3.05Å; R468-I471 PolarHBondContact O-N 2.86Å; I471-G473 VanDerWaalsContact C-N 3.33Å; I471-G473 PolarHBondContact O-N 2.91Å; I471-L474 PolarHBondContact O-N 3.14Å; I471-R475 VanDerWaalsContact CG2-CZ 3.43Å; I471-R475 WeakPolarHBondContact O-CG 3.44Å; I471-R475 PolarHBondContact O-N 3.41Å; I471-I487 HydrophobicContact CB-CD1 4.27Å; I471-I487 HydrophobicContact CG1-CD1 4.24Å; I471-I487 HydrophobicContact CG2-CD1 4.04Å; I471-V492 HydrophobicContact CD1-CG1 4.27Å; I471-V492 HydrophobicContact CD1-CG2 4.22Å
472A96.3Very high93.6Very high11 Ų1149.1 Ų49.19%0.09124%0.243CC..Hα-helixtrans-62.6-39.7177.700000112.2T246 D292 R468 A469 E470 R475 L476T246-A472 HydrophobicContact CG2-CB 3.64Å; D292-A472 HydrophobicContact CB-CB 3.9Å; R468-A472 WeakPolarHBondContact O-CB 3.47Å; R468-A472 PolarHBondContact O-N 3.5Å; A469-A472 PolarHBondContact O-N 2.87Å; E470-A472 PolarHBondContact O-N 3.43Å; A472-R475 PolarHBondContact O-N 3.16Å; A472-L476 WeakPolarHBondContact O-CB 3.38Å; A472-L476 PolarHBondContact O-N 2.95Å
473G91.8Very high93.3Very high29 Ų2949.6 Ų49.630%0.29925%0.248SC..Hα-helixtrans-62.6-45.2176.400000112.6A469 E470 I471 L476 I477A469-G473 PolarHBondContact O-N 2.78Å; E470-G473 PolarHBondContact O-N 3.32Å; I471-G473 VanDerWaalsContact C-N 3.33Å; I471-G473 PolarHBondContact O-N 2.91Å; G473-L476 WeakPolarHBondContact O-CB 3.5Å; G473-L476 PolarHBondContact O-N 3.22Å; G473-I477 VanDerWaalsContact O-CG1 3.3Å; G473-I477 WeakPolarHBondContact O-CG1 3.47Å; G473-I477 PolarHBondContact O-N 3.41Å
474L95.5Very high93.1Very high26 Ų2653 Ų5314%0.13626%0.264CS..Hα-helixtrans-64.4-42.2175.3-73.4173.1000111.5V460 F462 E470 I471 L476 I477 A478 I485 I487V460-L474 HydrophobicContact CB-CD1 4.32Å; V460-L474 HydrophobicContact CG1-CD1 4.21Å; V460-L474 HydrophobicContact CG2-CD2 4.39Å; F462-L474 HydrophobicContact CE2-CD1 3.7Å; F462-L474 HydrophobicContact CZ-CD1 4.07Å; E470-L474 WeakPolarHBondContact O-CB 3.29Å; E470-L474 WeakPolarHBondContact O-CG 3.47Å; E470-L474 PolarHBondContact O-N 3.17Å; I471-L474 PolarHBondContact O-N 3.14Å; L474-L476 VanDerWaalsContact C-N 3.3Å; L474-L476 PolarHBondContact O-N 3.37Å; L474-I477 HydrophobicContact CD2-CD1 4.45Å; L474-I477 PolarHBondContact O-N 2.73Å; L474-A478 WeakPolarHBondContact O-CB 3.21Å; L474-A478 PolarHBondContact O-N 3.05Å; L474-I485 HydrophobicContact CB-CG2 4.26Å; L474-I485 HydrophobicContact CD2-CD1 4.35Å; L474-I485 HydrophobicContact CD2-CG2 4.42Å; L474-I487 HydrophobicContact CB-CD1 3.9Å; L474-I487 HydrophobicContact CB-CG1 4.45Å; L474-I487 HydrophobicContact CD1-CD1 3.85Å; L474-I487 HydrophobicContact CD1-CG1 3.9Å
475R96.1Very high93Very high16 Ų1653.7 Ų53.76%0.0627%0.267CS..Hα-helixtrans-61.8-37.7173.2-72.9171.3174.6158.52.6112.4D151 R291 D292 I471 A472 A478 K479D151-R475 IonicContact OD1-CZ 3.09Å; D151-R475 IonicContact OD1-NE 2.94Å; D151-R475 IonicContact OD1-NH2 3.94Å; D151-R475 PolarHBondContact OD1-NH2 3.47Å; D151-R475 WeakPolarHBondContact OD2-CG 3.4Å; D151-R475 IonicContact OD2-CZ 3.91Å; D151-R475 IonicContact OD2-NE 3.91Å; D151-R475 PolarHBondContact OD2-NE 3.01Å; D151-R475 IonicContact OD2-NH2 3.74Å; R291-R475 VanDerWaalsContact CZ-NH1 3.34Å; D292-R475 WeakPolarHBondContact OD1-CD 3.5Å; D292-R475 IonicContact OD1-CZ 3.79Å; D292-R475 IonicContact OD1-NH1 3.42Å; D292-R475 PolarHBondContact OD1-NH1 3.28Å; D292-R475 VanDerWaalsContact OD2-CD 3.3Å; D292-R475 WeakPolarHBondContact OD2-CD 3.14Å; D292-R475 IonicContact OD2-NH1 3.91Å; I471-R475 VanDerWaalsContact CG2-CZ 3.43Å; I471-R475 WeakPolarHBondContact O-CG 3.44Å; I471-R475 PolarHBondContact O-N 3.41Å; A472-R475 PolarHBondContact O-N 3.16Å; R475-A478 PolarHBondContact O-N 3.32Å; R475-K479 WeakPolarHBondContact O-CG 3.48Å; R475-K479 PolarHBondContact O-N 3.07Å; R475-K479 VanDerWaalsContact O-N 3.09Å
476L91.1Very high93.1Very high99 Ų9954.2 Ų54.252%0.51827%0.269SS..Hα-helixtrans-65.5-44.8174.1179.261.4000111.2A472 G473 L474 A478 K479 L480A472-L476 WeakPolarHBondContact O-CB 3.38Å; A472-L476 PolarHBondContact O-N 2.95Å; G473-L476 WeakPolarHBondContact O-CB 3.5Å; G473-L476 PolarHBondContact O-N 3.22Å; L474-L476 VanDerWaalsContact C-N 3.3Å; L474-L476 PolarHBondContact O-N 3.37Å; L476-A478 VanDerWaalsContact C-N 3.33Å; L476-A478 PolarHBondContact O-N 3.38Å; L476-K479 PolarHBondContact O-N 2.89Å; L476-L480 HydrophobicContact CD1-CD1 4.01Å; L476-L480 HydrophobicContact CD1-CG 4.06Å; L476-L480 HydrophobicContact CG-CD1 3.89Å; L476-L480 HydrophobicContact CG-CG 4.35Å; L476-L480 WeakPolarHBondContact O-CB 3.27Å; L476-L480 VanDerWaalsContact O-CG 3.31Å; L476-L480 WeakPolarHBondContact O-CG 3.49Å; L476-L480 PolarHBondContact O-N 3.25Å
477I88.6Confident93.1Very high83 Ų8354.3 Ų54.343%0.42627%0.27SS..Hα-helixtrans-59.3-45.6175.3-69.1164.6000110.5G473 L474 K479 L480 R481 I485G473-I477 VanDerWaalsContact O-CG1 3.3Å; G473-I477 WeakPolarHBondContact O-CG1 3.47Å; G473-I477 PolarHBondContact O-N 3.41Å; L474-I477 HydrophobicContact CD2-CD1 4.45Å; L474-I477 PolarHBondContact O-N 2.73Å; I477-K479 VanDerWaalsContact C-N 3.33Å; I477-K479 PolarHBondContact O-N 3.45Å; I477-L480 PolarHBondContact O-N 2.94Å; I477-R481 HydrophobicContact CG2-CG 4.13Å; I477-R481 WeakPolarHBondContact O-CB 3.34Å; I477-R481 WeakPolarHBondContact O-CG 3.35Å; I477-R481 PolarHBondContact O-N 3.42Å; I477-I485 HydrophobicContact CB-CD1 4.27Å; I477-I485 HydrophobicContact CG2-CD1 3.95Å
478A91.8Very high93.2Very high16 Ų1654 Ų5413%0.13227%0.268CS..Hα-helixtrans-55.7-47.5177.200000111.7L474 R475 L476 K482 C483 I485L474-A478 WeakPolarHBondContact O-CB 3.21Å; L474-A478 PolarHBondContact O-N 3.05Å; R475-A478 PolarHBondContact O-N 3.32Å; L476-A478 VanDerWaalsContact C-N 3.33Å; L476-A478 PolarHBondContact O-N 3.38Å; A478-K482 WeakPolarHBondContact O-CA 3.5Å; A478-K482 PolarHBondContact O-N 3.12Å; A478-C483 WeakPolarHBondContact CB-O 3.33Å; A478-C483 PolarHBondContact O-N 3.26Å; A478-C483 VanDerWaalsContact O-N 3.08Å; A478-I485 HydrophobicContact CB-CB 4.18Å; A478-I485 HydrophobicContact CB-CD1 4.07Å; A478-I485 HydrophobicContact CB-CG1 3.87Å
479K89.9Confident93.4Very high136 Ų13652.8 Ų52.859%0.59126%0.264SS*.Hα-helixtrans-62.1-50176.1-71.3170.8-176.1172.70112.1R475 L476 I477 R481 K482R475-K479 WeakPolarHBondContact O-CG 3.48Å; R475-K479 PolarHBondContact O-N 3.07Å; R475-K479 VanDerWaalsContact O-N 3.09Å; L476-K479 PolarHBondContact O-N 2.89Å; I477-K479 VanDerWaalsContact C-N 3.33Å; I477-K479 PolarHBondContact O-N 3.45Å; K479-R481 PolarHBondContact O-N 2.98Å; K479-K482 PolarHBondContact O-N 3.47Å
480L85.6Confident93.7Very high128 Ų12850.9 Ų50.967%0.6725%0.248SC*.Hα-helixtrans-66.5-36-176.6-70.6175.2000112.7L476 I477L476-L480 HydrophobicContact CD1-CD1 4.01Å; L476-L480 HydrophobicContact CD1-CG 4.06Å; L476-L480 HydrophobicContact CG-CD1 3.89Å; L476-L480 HydrophobicContact CG-CG 4.35Å; L476-L480 WeakPolarHBondContact O-CB 3.27Å; L476-L480 VanDerWaalsContact O-CG 3.31Å; L476-L480 WeakPolarHBondContact O-CG 3.49Å; L476-L480 PolarHBondContact O-N 3.25Å; I477-L480 PolarHBondContact O-N 2.94Å
481R86.3Confident93.8Very high185 Ų18549.7 Ų49.770%0.69824%0.243SC*.Hα-helixtrans-95.51.3-178.2-57.1-63.6-93-102.5-1.8113.3I477 K479 C483I477-R481 HydrophobicContact CG2-CG 4.13Å; I477-R481 WeakPolarHBondContact O-CB 3.34Å; I477-R481 WeakPolarHBondContact O-CG 3.35Å; I477-R481 PolarHBondContact O-N 3.42Å; K479-R481 PolarHBondContact O-N 2.98Å; R481-C483 PolarHBondContact O-N 2.88Å
482K90.5Very high93.8Very high186 Ų18651.1 Ų51.181%0.80925%0.251SS*.THydrogen-bonded Turntrans48.944-178.5-58-177.6179.9-1790111.6A478 K479A478-K482 WeakPolarHBondContact O-CA 3.5Å; A478-K482 PolarHBondContact O-N 3.12Å; K479-K482 PolarHBondContact O-N 3.47Å
483C91.6Very high93.7Very high22 Ų2251 Ų5115%0.14925%0.249CC..  trans-121.3168.7177.6680000109.8K456 F458 A478 R481K456-C483 HydrophobicContact CB-CB 4.35Å; K456-C483 VanDerWaalsContact O-CB 3.32Å; K456-C483 WeakPolarHBondContact O-CB 3.25Å; F458-C483 HydrophobicContact CE2-CB 4.27Å; A478-C483 WeakPolarHBondContact CB-O 3.33Å; A478-C483 PolarHBondContact O-N 3.26Å; A478-C483 VanDerWaalsContact O-N 3.08Å; R481-C483 PolarHBondContact O-N 2.88Å
484E94Very high93.7Very high70 Ų7050.8 Ų50.833%0.32724%0.243SC..EExtended strand (participates in β ladder)trans-99.6133.4174.5-171.4-176.5153.100109.2K456 V457 F458 R486K456-E484 PolarHBondContact O-N 2.81Å; V457-E484 CarbonylContact C-O 3.53Å; V457-E484 WeakPolarHBondContact CA-O 3.41Å; V457-E484 HydrophobicContact CB-CB 4.37Å; V457-E484 HydrophobicContact CG1-CB 4.16Å; V457-E484 HydrophobicContact CG1-CG 4.17Å; V457-E484 HydrophobicContact CG2-CB 4.11Å; F458-E484 PolarHBondContact N-O 3.3Å; E484-R486 IonicContact OE1-CZ 3.18Å; E484-R486 IonicContact OE1-NE 3.27Å; E484-R486 PolarHBondContact OE1-NE 3.33Å; E484-R486 IonicContact OE1-NH2 2.97Å; E484-R486 PolarHBondContact OE1-NH2 3.2Å; E484-R486 IonicContact OE2-NH2 3.97Å
485I95.4Very high93.2Very high16 Ų1651.2 Ų51.28%0.08224%0.244CC..EExtended strand (participates in β ladder)trans-126.6122.3173.8-58.3-174.1000107.7F458 V460 L474 I477 A478 I487F458-I485 HydrophobicContact CB-CG1 4.22Å; F458-I485 HydrophobicContact CD2-CG1 4.38Å; F458-I485 WeakPolarHBondContact O-CA 3.26Å; V460-I485 HydrophobicContact CG2-CG2 3.96Å; L474-I485 HydrophobicContact CB-CG2 4.26Å; L474-I485 HydrophobicContact CD2-CD1 4.35Å; L474-I485 HydrophobicContact CD2-CG2 4.42Å; I477-I485 HydrophobicContact CB-CD1 4.27Å; I477-I485 HydrophobicContact CG2-CD1 3.95Å; A478-I485 HydrophobicContact CB-CB 4.18Å; A478-I485 HydrophobicContact CB-CD1 4.07Å; A478-I485 HydrophobicContact CB-CG1 3.87Å; I485-I487 HydrophobicContact CG2-CG1 4.24Å
486R97.1Very high92.6Very high10 Ų1052.9 Ų52.94%0.03826%0.261CS..EExtended strand (participates in β ladder)trans-104.4133.5171-58.6174.3-168.8157.84.2107.5F6 C224 F458 L459 V460 E484F6-R486 VanDerWaalsContact CB-NH2 3.31Å; F6-R486 HydrophobicContact CD1-CG 4.33Å; F6-R486 HydrophobicContact CE1-CG 4.29Å; C224-R486 PolarHBondContact O-NH1 3.29Å; F458-R486 PolarHBondContact O-N 2.81Å; L459-R486 WeakPolarHBondContact CA-O 3.32Å; L459-R486 HydrophobicContact CD1-CB 4.03Å; V460-R486 PolarHBondContact N-O 3.09Å; E484-R486 IonicContact OE1-CZ 3.18Å; E484-R486 IonicContact OE1-NE 3.27Å; E484-R486 PolarHBondContact OE1-NE 3.33Å; E484-R486 IonicContact OE1-NH2 2.97Å; E484-R486 PolarHBondContact OE1-NH2 3.2Å; E484-R486 IonicContact OE2-NH2 3.97Å
487I98.4Very high92.4Very high2 Ų250.2 Ų50.21%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-111.4128.7-175.4-52.9171.9000107.3D151 L152 L153 V460 F462 I471 L474 I485D151-I487 PolarHBondContact O-N 3.32Å; L152-I487 CarbonylContact C-O 3.56Å; L152-I487 WeakPolarHBondContact CA-O 3.45Å; L152-I487 HydrophobicContact CD1-CB 3.91Å; L152-I487 HydrophobicContact CD1-CG2 3.73Å; L153-I487 PolarHBondContact N-O 3.05Å; V460-I487 CarbonylContact O-C 3.55Å; V460-I487 WeakPolarHBondContact O-CA 3.37Å; F462-I487 HydrophobicContact CD2-CG2 4.31Å; F462-I487 HydrophobicContact CE2-CG2 4.4Å; I471-I487 HydrophobicContact CB-CD1 4.27Å; I471-I487 HydrophobicContact CG1-CD1 4.24Å; I471-I487 HydrophobicContact CG2-CD1 4.04Å; L474-I487 HydrophobicContact CB-CD1 3.9Å; L474-I487 HydrophobicContact CB-CG1 4.45Å; L474-I487 HydrophobicContact CD1-CD1 3.85Å; L474-I487 HydrophobicContact CD1-CG1 3.9Å; I485-I487 HydrophobicContact CG2-CG1 4.24Å
488A98.6Very high92.4Very high1 Ų146.4 Ų46.41%0.00823%0.231CC..EExtended strand (participates in β ladder)trans-121.5146.6167.300000108.7F145 L153 L459 V460 V461 F462F145-A488 HydrophobicContact CD1-CB 4.42Å; F145-A488 HydrophobicContact CE1-CB 3.74Å; F145-A488 HydrophobicContact CZ-CB 3.92Å; L153-A488 HydrophobicContact CB-CB 4.14Å; L153-A488 CarbonylContact O-C 3.54Å; L153-A488 WeakPolarHBondContact O-CA 3.2Å; L459-A488 HydrophobicContact CD1-CB 4.27Å; V460-A488 PolarHBondContact O-N 3.25Å; V461-A488 CarbonylContact C-O 3.58Å; V461-A488 WeakPolarHBondContact CA-O 3.4Å; V461-A488 HydrophobicContact CB-CB 4.47Å; V461-A488 HydrophobicContact CG1-CB 4.17Å; V461-A488 HydrophobicContact CG2-CB 4.19Å; F462-A488 PolarHBondContact N-O 3.33Å
489A98.5Very high92Very high1 Ų146.1 Ų46.11%0.00823%0.228CC..EExtended strand (participates in β ladder)trans-147.3157.6176.400000111.5L153 S154 L155 F462 V466 S491L153-A489 PolarHBondContact O-N 2.82Å; S154-A489 CarbonylContact C-O 3.37Å; S154-A489 WeakPolarHBondContact CA-O 3.04Å; L155-A489 PolarHBondContact N-O 3.42Å; F462-A489 HydrophobicContact CB-CB 4.05Å; F462-A489 CarbonylContact O-C 3.57Å; F462-A489 VanDerWaalsContact O-CA 3.29Å; F462-A489 WeakPolarHBondContact O-CA 3.38Å; V466-A489 HydrophobicContact CB-CB 3.97Å; V466-A489 HydrophobicContact CG1-CB 3.5Å; A489-S491 WeakPolarHBondContact CB-O 3.41Å; A489-S491 PolarHBondContact O-N 3.22Å
490T98.1Very high91.6Very high0 Ų045.6 Ų45.60%023%0.227CC..SBendtrans-61.5-38.9166.853.10000110.7L155 E156 L157 Y160 V176 F462 L463 G464 G465L155-T490 HydrophobicContact CD1-CG2 4.36Å; E156-T490 PolarHBondContact N-O 2.94Å; L157-T490 WeakPolarHBondContact CA-O 3.19Å; L157-T490 PolarHBondContact N-O 3.28Å; Y160-T490 HydrophobicContact CD1-CG2 4.01Å; Y160-T490 HydrophobicContact CD2-CG2 3.5Å; Y160-T490 HydrophobicContact CE1-CG2 4.32Å; Y160-T490 HydrophobicContact CE2-CG2 3.88Å; Y160-T490 HydrophobicContact CG-CG2 3.57Å; V176-T490 HydrophobicContact CG2-CG2 3.98Å; F462-T490 PolarHBondContact O-N 2.87Å; L463-T490 HydrophobicContact CD2-CG2 4.17Å; G464-T490 WeakPolarHBondContact CA-OG1 3.2Å; G464-T490 PolarHBondContact N-OG1 3.16Å; G465-T490 PolarHBondContact N-OG1 3.11Å
491S97.3Very high91.3Very high5 Ų540.5 Ų40.54%0.03520%0.203CC..  trans-160.6161.2176.150.80000110.3G465 V466 A489 I493G465-S491 CarbonylContact C-O 3.59Å; G465-S491 WeakPolarHBondContact CA-O 3.5Å; V466-S491 PolarHBondContact N-O 2.88Å; A489-S491 WeakPolarHBondContact CB-O 3.41Å; A489-S491 PolarHBondContact O-N 3.22Å; S491-I493 WeakPolarHBondContact OG-CG2 3.4Å
492V97.1Very high90.8Very high31 Ų3134.3 Ų34.319%0.18818%0.183CC..EExtended strand (participates in β ladder)trans-87.4126.9161.5-178.70000107.5L148 L152 V466 R468 I471L148-V492 HydrophobicContact CD1-CG2 3.81Å; L152-V492 HydrophobicContact CD2-CG2 4.21Å; V466-V492 HydrophobicContact CG1-CG2 4.23Å; V466-V492 WeakPolarHBondContact O-CA 3.32Å; R468-V492 HydrophobicContact CG-CG1 4.1Å; I471-V492 HydrophobicContact CD1-CG1 4.27Å; I471-V492 HydrophobicContact CD1-CG2 4.22Å
493I95Very high89.8Confident9 Ų929.4 Ų29.45%0.04617%0.172CC..EExtended strand (participates in β ladder)trans-121.3156.4-174.960.9169.7000111.5R233 V240 V466 T467 S491 L498R233-I493 HydrophobicContact CG-CD1 4.44Å; V240-I493 HydrophobicContact CG1-CD1 4.08Å; V240-I493 HydrophobicContact CG2-CD1 3.8Å; V466-I493 PolarHBondContact O-N 3.31Å; T467-I493 HydrophobicContact CG2-CG1 4.38Å; S491-I493 WeakPolarHBondContact OG-CG2 3.4Å; I493-L498 HydrophobicContact CD1-CD1 4.41Å
494S90.5Very high88.5Confident24 Ų2434.4 Ų34.417%0.16820%0.197CC..  trans-125.8168.5169.969.10000110.1A496 S497 L498S494-A496 PolarHBondContact O-N 3.11Å; S494-A496 PolarHBondContact OG-N 3.21Å; S494-S497 PolarHBondContact N-OG 3.43Å; S494-S497 PolarHBondContact O-N 3.23Å; S494-S497 PolarHBondContact O-OG 3.27Å; S494-S497 VanDerWaalsContact O-OG 3.1Å; S494-S497 PolarHBondContact OG-N 3.18Å; S494-S497 VanDerWaalsContact OG-N 3.17Å; S494-L498 WeakPolarHBondContact O-CB 3.5Å; S494-L498 PolarHBondContact O-N 2.95Å
495K85.7Confident86.4Confident35 Ų3535.9 Ų35.915%0.15221%0.214CC..Hα-helixtrans-48.5-47.6168.7-175.6-178.1-62.2-1700110.6V240 F241 E386 L499V240-K495 WeakPolarHBondContact O-CB 3.38Å; F241-K495 WeakPolarHBondContact O-CE 3.4Å; F241-K495 PolarHBondContact O-NZ 3.18Å; E386-K495 IonicContact OE1-NZ 3.13Å; E386-K495 PolarHBondContact OE1-NZ 3.48Å; K495-L499 HydrophobicContact CG-CD1 4.1Å; K495-L499 WeakPolarHBondContact O-CB 3.45Å; K495-L499 WeakPolarHBondContact O-CG 3.44Å; K495-L499 PolarHBondContact O-N 3Å
496A84.2Confident85.9Confident52 Ų5236.9 Ų36.943%0.4322%0.221SC..Hα-helixtrans-63.9-48.2-178.200000112.5S494 L498 L499 E500S494-A496 PolarHBondContact O-N 3.11Å; S494-A496 PolarHBondContact OG-N 3.21Å; A496-L498 VanDerWaalsContact C-N 3.33Å; A496-L498 PolarHBondContact O-N 2.91Å; A496-L499 PolarHBondContact O-N 3.13Å; A496-E500 WeakPolarHBondContact O-CB 3.37Å; A496-E500 PolarHBondContact O-N 3.48Å
497S87.2Confident85.3Confident43 Ų4338.3 Ų38.330%0.30123%0.23SC..Hα-helixtrans-66.8-36.1-178.668.50000112.4S494 A501S494-S497 PolarHBondContact N-OG 3.43Å; S494-S497 PolarHBondContact O-N 3.23Å; S494-S497 PolarHBondContact O-OG 3.27Å; S494-S497 VanDerWaalsContact O-OG 3.1Å; S494-S497 PolarHBondContact OG-N 3.18Å; S494-S497 VanDerWaalsContact OG-N 3.17Å; S497-A501 WeakPolarHBondContact O-CB 3.4Å; S497-A501 PolarHBondContact O-N 3.49Å
498L87.3Confident84.6Confident3 Ų340.3 Ų40.32%0.01624%0.242CC..Hα-helixtrans-65.3-46.7176.9-170.573.3000110.8F161 V240 F241 I493 S494 A496 E500 A501 M502F161-L498 HydrophobicContact CB-CD1 4.18Å; F161-L498 HydrophobicContact CD1-CD1 3.28Å; F161-L498 HydrophobicContact CD1-CG 4.37Å; F161-L498 HydrophobicContact CD2-CD1 3.72Å; F161-L498 HydrophobicContact CE1-CD1 3.46Å; F161-L498 VanDerWaalsContact CE1-CD1 3.46Å; F161-L498 HydrophobicContact CE1-CG 4.19Å; F161-L498 HydrophobicContact CE2-CD1 3.88Å; F161-L498 HydrophobicContact CG-CD1 3.42Å; F161-L498 VanDerWaalsContact CG-CD1 3.42Å; F161-L498 HydrophobicContact CZ-CD1 3.76Å; F161-L498 HydrophobicContact CZ-CD2 4.34Å; F161-L498 HydrophobicContact CZ-CG 4.45Å; V240-L498 HydrophobicContact CB-CD2 3.87Å; V240-L498 HydrophobicContact CG1-CB 3.88Å; V240-L498 HydrophobicContact CG1-CD2 3.5Å; V240-L498 HydrophobicContact CG1-CG 4.22Å; V240-L498 HydrophobicContact CG2-CD2 4.29Å; F241-L498 HydrophobicContact CE1-CD2 3.88Å; F241-L498 HydrophobicContact CZ-CD2 3.75Å; I493-L498 HydrophobicContact CD1-CD1 4.41Å; S494-L498 WeakPolarHBondContact O-CB 3.5Å; S494-L498 PolarHBondContact O-N 2.95Å; A496-L498 VanDerWaalsContact C-N 3.33Å; A496-L498 PolarHBondContact O-N 2.91Å; L498-E500 VanDerWaalsContact C-N 3.34Å; L498-E500 PolarHBondContact O-N 3.05Å; L498-A501 PolarHBondContact O-N 2.96Å; L498-M502 HydrophobicContact CD2-SD 4.44Å; L498-M502 HydrophobicContact CG-SD 4.24Å; L498-M502 WeakPolarHBondContact O-CG 3.29Å; L498-M502 PolarHBondContact O-N 3.25Å
499L83.8Confident83.8Confident10 Ų1042.6 Ų42.65%0.05226%0.256CS..Hα-helixtrans-65.9-37.4-179.9-67.8-176.4000112.3F241 A413 F416 K495 A496 M502 S503F241-L499 HydrophobicContact CE1-CD2 3.77Å; A413-L499 HydrophobicContact CB-CD1 4.02Å; A413-L499 WeakPolarHBondContact O-CD1 3.21Å; F416-L499 HydrophobicContact CD1-CD1 4.17Å; F416-L499 HydrophobicContact CD1-CD2 3.37Å; F416-L499 HydrophobicContact CD1-CG 4.21Å; F416-L499 HydrophobicContact CE1-CD2 3.56Å; F416-L499 HydrophobicContact CG-CD2 4.45Å; K495-L499 HydrophobicContact CG-CD1 4.1Å; K495-L499 WeakPolarHBondContact O-CB 3.45Å; K495-L499 WeakPolarHBondContact O-CG 3.44Å; K495-L499 PolarHBondContact O-N 3Å; A496-L499 PolarHBondContact O-N 3.13Å; L499-M502 HydrophobicContact CD2-SD 4.36Å; L499-M502 PolarHBondContact O-N 2.89Å; L499-S503 WeakPolarHBondContact O-CB 3.44Å; L499-S503 PolarHBondContact O-N 3.29Å; L499-S503 PolarHBondContact O-OG 2.75Å
500E81.3Confident82.8Confident125 Ų12545.2 Ų45.258%0.58427%0.272SS*.Hα-helixtrans-61.3-47.2172.1-175.5174-169.200111.2A496 L498 M502 S503 N504A496-E500 WeakPolarHBondContact O-CB 3.37Å; A496-E500 PolarHBondContact O-N 3.48Å; L498-E500 VanDerWaalsContact C-N 3.34Å; L498-E500 PolarHBondContact O-N 3.05Å; E500-M502 VanDerWaalsContact C-N 3.32Å; E500-M502 PolarHBondContact O-N 3.29Å; E500-S503 WeakPolarHBondContact CA-OG 3.34Å; E500-S503 PolarHBondContact O-N 3.3Å; E500-S503 VanDerWaalsContact O-N 3.13Å; E500-S503 PolarHBondContact O-OG 3.3Å; E500-N504 PolarHBondContact O-N 2.89Å; E500-N504 PolarHBondContact O-ND2 3.36Å
501A78.9Confident81.8Confident20 Ų2048.2 Ų48.217%0.16529%0.29CS..Hα-helixtrans-60.3-39.7176.800000112.5S497 L498S497-A501 WeakPolarHBondContact O-CB 3.4Å; S497-A501 PolarHBondContact O-N 3.49Å; L498-A501 PolarHBondContact O-N 2.96Å
502M75.8Confident80.7Confident56 Ų5651.3 Ų51.328%0.27631%0.308SS..Hα-helixtrans-70.9-28.4176.1-69.5175.868.800113.3F161 V166 L498 L499 E500F161-M502 HydrophobicContact CE1-CG 4.11Å; F161-M502 HydrophobicContact CE1-SD 4.31Å; V166-M502 HydrophobicContact CG2-CG 4.27Å; L498-M502 HydrophobicContact CD2-SD 4.44Å; L498-M502 HydrophobicContact CG-SD 4.24Å; L498-M502 WeakPolarHBondContact O-CG 3.29Å; L498-M502 PolarHBondContact O-N 3.25Å; L499-M502 HydrophobicContact CD2-SD 4.36Å; L499-M502 PolarHBondContact O-N 2.89Å; E500-M502 VanDerWaalsContact C-N 3.32Å; E500-M502 PolarHBondContact O-N 3.29Å
503S70.9Confident79.5Confident82 Ų8252.8 Ų52.857%0.57332%0.317SS*.Hα-helixtrans-81.3-17.6-179.567.90000114.5L499 E500L499-S503 WeakPolarHBondContact O-CB 3.44Å; L499-S503 PolarHBondContact O-N 3.29Å; L499-S503 PolarHBondContact O-OG 2.75Å; E500-S503 WeakPolarHBondContact CA-OG 3.34Å; E500-S503 PolarHBondContact O-N 3.3Å; E500-S503 VanDerWaalsContact O-N 3.13Å; E500-S503 PolarHBondContact O-OG 3.3Å
504N63.4Low78.2Confident128 Ų12856.5 Ų56.568%0.68434%0.34SS*.  trans-90-7.9178.5-71.4-30.8000113.1E500E500-N504 PolarHBondContact O-N 2.89Å; E500-N504 PolarHBondContact O-ND2 3.36Å
505C49Very low77Confident100 Ų10059.5 Ų59.568%0.67636%0.355SS*.  trans-80.10166-66.80000109.5V166 D167V166-C505 HydrophobicContact CG1-CB 4.13Å; D167-C505 PolarHBondContact OD1-SG 3.44Å

Retrieved 505 of 505 residues in 771.4 ms (Link to these results)

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