A0A087XWW7_POEFO Loading...

Glyoxalase domain-containing protein 4

AlphaFold DB , UniProt , Accession A0A087XWW7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 299 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
1I40.2Very low83.7Confident208 Ų20860.7 Ų60.7100%1.06732%0.316SS*.  0118.30-64.8168.5000105.5A3I1-A3 PolarHBondContact O-N 2.78Å; I1-A3 VanDerWaalsContact O-N 3.14Å
2M49.7Very low84.9Confident185 Ų18555.8 Ų55.891%0.91129%0.29SS*.  trans-63.1115.9174.2-76.3-170.5-75.600107.1L4M2-L4 PolarHBondContact O-N 3.32Å
3A58.1Low85.9Confident42 Ų4252.4 Ų52.435%0.34727%0.272SS..  trans-67.2117.1179.600000108.2I1 R5I1-A3 PolarHBondContact O-N 2.78Å; I1-A3 VanDerWaalsContact O-N 3.14Å; A3-R5 VanDerWaalsContact C-N 3.31Å; A3-R5 HydrophobicContact CB-CG 3.88Å; A3-R5 PolarHBondContact O-N 2.88Å
4L85.6Confident86.7Confident139 Ų13949.1 Ų49.173%0.72826%0.255SS*.  trans-66.290.7171.5-76.6155.9000108M2 P208M2-L4 PolarHBondContact O-N 3.32Å; L4-P208 HydrophobicContact CB-CG 4.26Å; L4-P208 WeakPolarHBondContact O-CD 3.45Å
5R96.1Very high87.2Confident29 Ų2947 Ų4711%0.10925%0.25CS..  trans-117.5144-179.3-63.7-174.7-179.3-152.78.1111.2A3 L160 Y178 Q182 S206 C207 F256A3-R5 VanDerWaalsContact C-N 3.31Å; A3-R5 HydrophobicContact CB-CG 3.88Å; A3-R5 PolarHBondContact O-N 2.88Å; R5-L160 PolarHBondContact NH1-O 3.32Å; R5-Y178 HydrophobicContact CB-CD1 3.78Å; R5-Y178 HydrophobicContact CB-CD2 3.57Å; R5-Y178 HydrophobicContact CB-CE1 3.82Å; R5-Y178 HydrophobicContact CB-CE2 3.59Å; R5-Y178 HydrophobicContact CB-CG 3.67Å; R5-Y178 VanDerWaalsContact CD-CE1 3.43Å; R5-Y178 VanDerWaalsContact CD-OH 3.26Å; R5-Y178 WeakPolarHBondContact CD-OH 3.28Å; R5-Y178 HydrophobicContact CG-CE1 4.2Å; R5-Y178 HydrophobicContact CG-CE2 4.44Å; R5-Y178 PolarHBondContact NH1-OH 2.97Å; R5-Q182 PolarHBondContact O-NE2 3.3Å; R5-S206 VanDerWaalsContact CA-O 3.26Å; R5-S206 WeakPolarHBondContact CA-O 3.47Å; R5-C207 HydrophobicContact CG-CB 4.19Å; R5-F256 VanDerWaalsContact NH1-CE1 3.25Å
6R97.8Very high87.6Confident28 Ų2849.6 Ų49.611%0.10626%0.264CS..EExtended strand (participates in β ladder)trans-135.1127.6-177-169.7169.857.987.2-3112.3L8 E64 D65 F205 S206 D259R6-L8 HydrophobicContact CB-CD2 4.46Å; R6-L8 HydrophobicContact CG-CD2 4.38Å; R6-L8 VanDerWaalsContact NH2-CD2 3.32Å; R6-E64 PolarHBondContact NH1-O 2.61Å; R6-D65 PolarHBondContact NH1-O 3.34Å; R6-F205 CarbonylContact O-C 3.45Å; R6-F205 WeakPolarHBondContact O-CA 3.25Å; R6-S206 PolarHBondContact N-O 3.37Å; R6-S206 PolarHBondContact O-N 2.72Å; R6-D259 IonicContact CZ-OD1 3.66Å; R6-D259 IonicContact NE-OD1 3.75Å; R6-D259 IonicContact NH2-OD1 2.71Å; R6-D259 PolarHBondContact NH2-OD1 2.93Å
7A98.4Very high87.9Confident7 Ų748.1 Ų48.16%0.05825%0.254CS..EExtended strand (participates in β ladder)trans-68.7130.3169.500000110.1F68 C183 F205A7-F68 HydrophobicContact CB-CD2 3.8Å; A7-F68 HydrophobicContact CB-CE2 4.12Å; A7-C183 HydrophobicContact CB-CB 4.47Å; A7-F205 HydrophobicContact CB-CD1 3.95Å; A7-F205 HydrophobicContact CB-CE1 3.8Å
8L98.8Very high88.3Confident2 Ų248.7 Ų48.71%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-109.7-60.1-171.7-54.8179.4000112.2R6 F68 V69 A204 V257 F262R6-L8 HydrophobicContact CB-CD2 4.46Å; R6-L8 HydrophobicContact CG-CD2 4.38Å; R6-L8 VanDerWaalsContact NH2-CD2 3.32Å; L8-F68 VanDerWaalsContact O-CA 3.31Å; L8-F68 WeakPolarHBondContact O-CA 3.34Å; L8-V69 PolarHBondContact O-N 3.15Å; L8-A204 HydrophobicContact CB-CB 4.22Å; L8-A204 WeakPolarHBondContact CB-O 3.28Å; L8-A204 HydrophobicContact CD1-CB 4.3Å; L8-A204 PolarHBondContact N-O 2.83Å; L8-V257 HydrophobicContact CD1-CG1 3.43Å; L8-V257 VanDerWaalsContact CD1-CG1 3.43Å; L8-F262 HydrophobicContact CB-CZ 4.45Å; L8-F262 HydrophobicContact CD1-CD1 4.04Å; L8-F262 HydrophobicContact CD1-CD2 4.34Å; L8-F262 HydrophobicContact CD1-CE1 3.8Å; L8-F262 HydrophobicContact CD1-CE2 4.12Å; L8-F262 HydrophobicContact CD1-CG 4.31Å; L8-F262 HydrophobicContact CD1-CZ 3.85Å; L8-F262 HydrophobicContact CD2-CD1 4.15Å; L8-F262 HydrophobicContact CD2-CE1 3.8Å; L8-F262 HydrophobicContact CG-CE1 4.25Å
9H98.9Very high88.7Confident12 Ų1247.5 Ų47.56%0.05626%0.264CS..EExtended strand (participates in β ladder)trans-163.5166.3-173.353.8-100.8000112.5M58 V69 E71 A204H9-M58 HydrophobicContact CB-CE 4.18Å; H9-V69 WeakPolarHBondContact CA-O 3.43Å; H9-V69 HydrophobicContact CB-CG2 3.7Å; H9-V69 WeakPolarHBondContact CB-O 3.27Å; H9-E71 IonicContact CE1-OE2 3.57Å; H9-E71 IonicContact NE2-OE2 3.79Å; H9-A204 WeakPolarHBondContact NE2-CB 3.15Å; H9-A204 PolarHBondContact O-N 3.06Å
10F98.8Very high89.2Confident6 Ų645.4 Ų45.43%0.02625%0.252CS..EExtended strand (participates in β ladder)trans-112.7134.2163.2-164-92.5000109.8F12 F68 V69 E71 F87 V142 L144 R202 I203F10-F12 HydrophobicContact CB-CE2 3.99Å; F10-F12 HydrophobicContact CB-CZ 4.22Å; F10-F12 AromaticContact CD1-CD1 3.9Å; F10-F12 HydrophobicContact CD1-CD1 3.9Å; F10-F12 HydrophobicContact CD1-CD2 4.03Å; F10-F12 AromaticContact CD1-CE1 3.51Å; F10-F12 HydrophobicContact CD1-CE1 3.51Å; F10-F12 AromaticContact CD1-CE2 3.66Å; F10-F12 HydrophobicContact CD1-CE2 3.66Å; F10-F12 HydrophobicContact CD1-CG 4.15Å; F10-F12 AromaticContact CD1-CZ 3.39Å; F10-F12 HydrophobicContact CD1-CZ 3.39Å; F10-F12 HydrophobicContact CE1-CD1 4.07Å; F10-F12 AromaticContact CE1-CE1 3.78Å; F10-F12 HydrophobicContact CE1-CE1 3.78Å; F10-F12 HydrophobicContact CE1-CZ 4.12Å; F10-F12 HydrophobicContact CG-CE2 4.28Å; F10-F12 HydrophobicContact CG-CZ 4.14Å; F10-F68 HydrophobicContact CB-CE1 4.06Å; F10-F68 HydrophobicContact CB-CZ 3.95Å; F10-V69 PolarHBondContact N-O 3.06Å; F10-V69 VanDerWaalsContact N-O 3.16Å; F10-E71 PolarHBondContact O-N 3.16Å; F10-F87 HydrophobicContact CD1-CD2 4.24Å; F10-F87 HydrophobicContact CD1-CE2 4.01Å; F10-F87 AromaticContact CE1-CD2 3.56Å; F10-F87 HydrophobicContact CE1-CD2 3.56Å; F10-F87 AromaticContact CE1-CE2 3.8Å; F10-F87 HydrophobicContact CE1-CE2 3.8Å; F10-F87 HydrophobicContact CE1-CG 4.27Å; F10-F87 HydrophobicContact CE2-CD2 4.04Å; F10-F87 HydrophobicContact CE2-CE2 4.41Å; F10-F87 HydrophobicContact CG-CE2 4.37Å; F10-F87 HydrophobicContact CZ-CB 4.48Å; F10-F87 AromaticContact CZ-CD2 3.44Å; F10-F87 HydrophobicContact CZ-CD2 3.44Å; F10-F87 VanDerWaalsContact CZ-CD2 3.44Å; F10-F87 HydrophobicContact CZ-CE2 4.02Å; F10-F87 HydrophobicContact CZ-CG 4.26Å; F10-V142 HydrophobicContact CB-CG2 4.36Å; F10-V142 HydrophobicContact CD2-CG1 3.91Å; F10-V142 HydrophobicContact CD2-CG2 4.48Å; F10-V142 HydrophobicContact CE2-CG1 4.13Å; F10-L144 HydrophobicContact CE2-CD2 4.02Å; F10-L144 HydrophobicContact CZ-CD2 4.38Å; F10-R202 WeakPolarHBondContact CA-O 3.38Å; F10-I203 HydrophobicContact CD2-CB 3.96Å; F10-I203 HydrophobicContact CD2-CG1 4.44Å; F10-I203 HydrophobicContact CE2-CB 4.35Å
11V98.6Very high89.6Confident10 Ų1043.6 Ų43.66%0.06124%0.244CC..EExtended strand (participates in β ladder)trans-87.6126.5177.8-174.30000109.9E71 T73 G201 R202V11-E71 CarbonylContact C-O 3.57Å; V11-E71 WeakPolarHBondContact CA-O 3.29Å; V11-E71 HydrophobicContact CB-CB 4.4Å; V11-E71 HydrophobicContact CG1-CG 4.29Å; V11-E71 HydrophobicContact CG2-CB 4.01Å; V11-E71 HydrophobicContact CG2-CG 4.2Å; V11-T73 WeakPolarHBondContact CG1-OG1 3.27Å; V11-G201 WeakPolarHBondContact O-CA 3.38Å; V11-R202 HydrophobicContact CB-CB 4.16Å; V11-R202 HydrophobicContact CG2-CB 4.01Å; V11-R202 PolarHBondContact N-O 2.98Å
12F98.4Very high92.3Very high1 Ų136.2 Ų36.20%0.00421%0.209CC..EExtended strand (participates in β ladder)trans-116.7135.3175.3-63.5-82.5000110.3F10 A70 E71 L72 T73 F87 L90 Y124 F126F10-F12 HydrophobicContact CB-CE2 3.99Å; F10-F12 HydrophobicContact CB-CZ 4.22Å; F10-F12 AromaticContact CD1-CD1 3.9Å; F10-F12 HydrophobicContact CD1-CD1 3.9Å; F10-F12 HydrophobicContact CD1-CD2 4.03Å; F10-F12 AromaticContact CD1-CE1 3.51Å; F10-F12 HydrophobicContact CD1-CE1 3.51Å; F10-F12 AromaticContact CD1-CE2 3.66Å; F10-F12 HydrophobicContact CD1-CE2 3.66Å; F10-F12 HydrophobicContact CD1-CG 4.15Å; F10-F12 AromaticContact CD1-CZ 3.39Å; F10-F12 HydrophobicContact CD1-CZ 3.39Å; F10-F12 HydrophobicContact CE1-CD1 4.07Å; F10-F12 AromaticContact CE1-CE1 3.78Å; F10-F12 HydrophobicContact CE1-CE1 3.78Å; F10-F12 HydrophobicContact CE1-CZ 4.12Å; F10-F12 HydrophobicContact CG-CE2 4.28Å; F10-F12 HydrophobicContact CG-CZ 4.14Å; F12-A70 HydrophobicContact CD2-CB 3.9Å; F12-A70 HydrophobicContact CE2-CB 3.86Å; F12-E71 PolarHBondContact N-O 2.59Å; F12-L72 HydrophobicContact CB-CD2 4.23Å; F12-L72 HydrophobicContact CD2-CD2 4.45Å; F12-T73 PolarHBondContact O-N 3.34Å; F12-F87 HydrophobicContact CE1-CD1 4.43Å; F12-F87 HydrophobicContact CE1-CD2 4.5Å; F12-F87 AromaticContact CE1-CE1 3.82Å; F12-F87 HydrophobicContact CE1-CE1 3.82Å; F12-F87 AromaticContact CE1-CE2 3.87Å; F12-F87 HydrophobicContact CE1-CE2 3.87Å; F12-F87 AromaticContact CE1-CZ 3.49Å; F12-F87 HydrophobicContact CE1-CZ 3.49Å; F12-F87 VanDerWaalsContact CE1-CZ 3.49Å; F12-F87 HydrophobicContact CZ-CE1 4.42Å; F12-F87 AromaticContact CZ-CE2 3.99Å; F12-F87 HydrophobicContact CZ-CE2 3.99Å; F12-F87 AromaticContact CZ-CZ 3.69Å; F12-F87 HydrophobicContact CZ-CZ 3.69Å; F12-L90 HydrophobicContact CZ-CD1 4.38Å; F12-Y124 AromaticContact CD1-CD1 3.76Å; F12-Y124 HydrophobicContact CD1-CD1 3.76Å; F12-Y124 HydrophobicContact CD1-CD2 4.19Å; F12-Y124 AromaticContact CD1-CE1 3.96Å; F12-Y124 HydrophobicContact CD1-CE1 3.96Å; F12-Y124 HydrophobicContact CD1-CE2 4.36Å; F12-Y124 AromaticContact CD1-CG 3.88Å; F12-Y124 HydrophobicContact CD1-CG 3.88Å; F12-Y124 HydrophobicContact CE1-CD1 4.07Å; F12-Y124 HydrophobicContact CE1-CG 4.19Å; F12-F126 HydrophobicContact CE2-CZ 4.4Å; F12-F126 HydrophobicContact CZ-CE2 4.4Å; F12-F126 HydrophobicContact CZ-CZ 4.07Å
13K97.8Very high94.7Very high12 Ų1227.4 Ų27.45%0.05217%0.165CC..EExtended strand (participates in β ladder)trans-86.1134.2170.8-69.8166.1-178149.10109.4Y81 Y124 T198 F200K13-Y81 HydrophobicContact CB-CD1 3.91Å; K13-Y81 HydrophobicContact CB-CD2 3.75Å; K13-Y81 HydrophobicContact CB-CE1 3.89Å; K13-Y81 HydrophobicContact CB-CE2 3.75Å; K13-Y81 HydrophobicContact CB-CG 3.84Å; K13-Y81 HydrophobicContact CD-CD1 3.66Å; K13-Y81 HydrophobicContact CD-CE1 3.69Å; K13-Y81 HydrophobicContact CD-CG 4.34Å; K13-Y81 HydrophobicContact CG-CD1 4.32Å; K13-Y81 HydrophobicContact CG-CE1 4.11Å; K13-Y124 PolarHBondContact N-OH 3.26Å; K13-Y124 WeakPolarHBondContact O-CE2 3.34Å; K13-Y124 PolarHBondContact O-OH 3.34Å; K13-T198 VanDerWaalsContact CD-O 3.29Å; K13-T198 WeakPolarHBondContact CD-O 3.38Å; K13-T198 PolarHBondContact NZ-O 2.98Å; K13-F200 WeakPolarHBondContact CE-O 3.45Å; K13-F200 VanDerWaalsContact NZ-CZ 3.25Å; K13-F200 PolarHBondContact NZ-O 2.6Å
14V96.4Very high96.6Very high6 Ų625.6 Ų25.64%0.03615%0.149CC..EExtended strand (participates in β ladder)trans-123.6126.3-171.3178.50000110.2D16 R17 T20 L72 T73 Y74V14-D16 WeakPolarHBondContact CG1-O 3.15Å; V14-R17 HydrophobicContact CG1-CG 4.27Å; V14-T20 HydrophobicContact CG1-CG2 3.94Å; V14-T20 WeakPolarHBondContact CG1-OG1 3.48Å; V14-T20 HydrophobicContact CG2-CG2 4Å; V14-L72 HydrophobicContact CG2-CB 4.08Å; V14-L72 HydrophobicContact CG2-CD2 4.14Å; V14-T73 PolarHBondContact N-O 3.36Å; V14-Y74 WeakPolarHBondContact O-CD2 3.3Å
15G94.1Very high97.2Very high18 Ų1822.4 Ų22.419%0.18613%0.127CC..SBendtrans-92.9-43.8173.400000113.4Y74 G79G15-Y74 WeakPolarHBondContact O-CE2 3.24Å; G15-G79 VanDerWaalsContact CA-O 3.26Å; G15-G79 WeakPolarHBondContact CA-O 3.43Å
16D93.8Very high97.3Very high88 Ų8824.2 Ų24.247%0.47114%0.14SC..  trans-107.8100.1175.8-172.1-21.4000110.9V14 A18 A19 T20V14-D16 WeakPolarHBondContact CG1-O 3.15Å; D16-A18 PolarHBondContact OD1-N 2.8Å; D16-A19 HydrophobicContact CB-CB 4.09Å; D16-A19 VanDerWaalsContact CG-CB 3.47Å; D16-A19 PolarHBondContact OD1-N 3.28Å; D16-A19 WeakPolarHBondContact OD2-CB 3.2Å; D16-T20 WeakPolarHBondContact O-CB 3.42Å; D16-T20 PolarHBondContact O-N 2.86Å; D16-T20 PolarHBondContact O-OG1 3.19Å
17R93.3Very high97.4Very high25 Ų2522.9 Ų22.99%0.09414%0.135CC..Hα-helixtrans-68.3-35179.1-80.9-176.8-65-178.30.7113.7V14 T20 A21 Y74 Y76 M280 D283V14-R17 HydrophobicContact CG1-CG 4.27Å; R17-T20 PolarHBondContact O-N 3.02Å; R17-A21 WeakPolarHBondContact O-CB 3.49Å; R17-A21 PolarHBondContact O-N 3.14Å; R17-Y74 HydrophobicContact CG-CD1 4.3Å; R17-Y74 HydrophobicContact CG-CD2 3.32Å; R17-Y74 HydrophobicContact CG-CE2 3.79Å; R17-Y74 HydrophobicContact CG-CG 3.58Å; R17-Y74 VanDerWaalsContact NE-CZ 3.35Å; R17-Y76 PolarHBondContact NH1-OH 3.31Å; R17-M280 HydrophobicContact CB-CG 4.39Å; R17-M280 HydrophobicContact CB-SD 4.15Å; R17-D283 IonicContact CZ-OD2 3.74Å; R17-D283 IonicContact NH2-OD1 3.6Å; R17-D283 IonicContact NH2-OD2 3.87Å; R17-D283 PolarHBondContact NH2-OD2 3.06Å
18A94.3Very high97.4Very high59 Ų5922.6 Ų22.649%0.48813%0.132SC..Hα-helixtrans-72.5-45.2-175.500000110.6D16 T20 A21 T22D16-A18 PolarHBondContact OD1-N 2.8Å; A18-T20 VanDerWaalsContact C-N 3.25Å; A18-T20 PolarHBondContact O-N 2.91Å; A18-A21 PolarHBondContact O-N 3.24Å; A18-T22 PolarHBondContact O-N 3.17Å; A18-T22 PolarHBondContact O-OG1 3.42Å
19A96.6Very high97.4Very high26 Ų2624.1 Ų24.122%0.21515%0.148CC..Hα-helixtrans-61.2-39.3171.900000110.9D16 T22 F23 P121D16-A19 HydrophobicContact CB-CB 4.09Å; D16-A19 VanDerWaalsContact CG-CB 3.47Å; D16-A19 PolarHBondContact OD1-N 3.28Å; D16-A19 WeakPolarHBondContact OD2-CB 3.2Å; A19-T22 WeakPolarHBondContact O-CB 3.34Å; A19-T22 PolarHBondContact O-N 3.16Å; A19-F23 PolarHBondContact O-N 2.77Å; A19-P121 HydrophobicContact CB-CB 4.15Å; A19-P121 HydrophobicContact CB-CG 3.65Å
20T98.1Very high97.3Very high4 Ų423.9 Ų23.93%0.02515%0.147CC..Hα-helixtrans-65.7-45.6178.8-65.80000111.6V14 D16 R17 A18 T22 F23 Y24 L72V14-T20 HydrophobicContact CG1-CG2 3.94Å; V14-T20 WeakPolarHBondContact CG1-OG1 3.48Å; V14-T20 HydrophobicContact CG2-CG2 4Å; D16-T20 WeakPolarHBondContact O-CB 3.42Å; D16-T20 PolarHBondContact O-N 2.86Å; D16-T20 PolarHBondContact O-OG1 3.19Å; R17-T20 PolarHBondContact O-N 3.02Å; A18-T20 VanDerWaalsContact C-N 3.25Å; A18-T20 PolarHBondContact O-N 2.91Å; T20-T22 VanDerWaalsContact C-N 3.28Å; T20-T22 PolarHBondContact O-N 2.86Å; T20-F23 PolarHBondContact O-N 2.95Å; T20-Y24 HydrophobicContact CG2-CD2 3.6Å; T20-Y24 HydrophobicContact CG2-CE2 3.71Å; T20-Y24 WeakPolarHBondContact O-CD2 3.39Å; T20-Y24 PolarHBondContact O-N 3.01Å; T20-L72 HydrophobicContact CG2-CD1 3.64Å; T20-L72 HydrophobicContact CG2-CD2 4.24Å; T20-L72 HydrophobicContact CG2-CG 4.49Å
21A97.6Very high97.3Very high8 Ų830 Ų307%0.06617%0.174CC..Hα-helixtrans-57.8-43.8175.800000111.1R17 A18 R25 L276 M280R17-A21 WeakPolarHBondContact O-CB 3.49Å; R17-A21 PolarHBondContact O-N 3.14Å; A18-A21 PolarHBondContact O-N 3.24Å; A21-R25 WeakPolarHBondContact O-CB 3.41Å; A21-R25 WeakPolarHBondContact O-CG 3.21Å; A21-R25 PolarHBondContact O-N 2.52Å; A21-L276 HydrophobicContact CB-CD2 4.37Å; A21-M280 HydrophobicContact CB-CE 4.18Å; A21-M280 HydrophobicContact CB-SD 4.19Å
22T98.4Very high97.3Very high54 Ų5429.9 Ų29.933%0.33117%0.173SC..Hα-helixtrans-60.6-46.2175.7-54.50000111.5A18 A19 T20 D26 V27 W106A18-T22 PolarHBondContact O-N 3.17Å; A18-T22 PolarHBondContact O-OG1 3.42Å; A19-T22 WeakPolarHBondContact O-CB 3.34Å; A19-T22 PolarHBondContact O-N 3.16Å; T20-T22 VanDerWaalsContact C-N 3.28Å; T20-T22 PolarHBondContact O-N 2.86Å; T22-D26 HydrophobicContact CG2-CB 4.35Å; T22-D26 WeakPolarHBondContact O-CA 3.46Å; T22-D26 VanDerWaalsContact O-CB 3.31Å; T22-D26 WeakPolarHBondContact O-CB 3.43Å; T22-D26 PolarHBondContact O-N 2.78Å; T22-V27 PolarHBondContact O-N 3.45Å; T22-V27 VanDerWaalsContact O-N 3.12Å; T22-W106 HydrophobicContact CG2-CZ3 4.15Å
23F98.8Very high97.3Very high0 Ų030 Ų300%017%0.174CC..Iπ-helixtrans-59.7-55.3178.4178.7-107.8000111.8A19 T20 V27 L28 W106 T118 A120 P121 F126A19-F23 PolarHBondContact O-N 2.77Å; T20-F23 PolarHBondContact O-N 2.95Å; F23-V27 HydrophobicContact CD2-CB 4.13Å; F23-V27 HydrophobicContact CD2-CG1 4.25Å; F23-V27 HydrophobicContact CD2-CG2 4.44Å; F23-V27 HydrophobicContact CE2-CG1 4.32Å; F23-V27 WeakPolarHBondContact O-CA 3.42Å; F23-V27 VanDerWaalsContact O-CB 3.23Å; F23-V27 WeakPolarHBondContact O-CB 3.46Å; F23-V27 PolarHBondContact O-N 3.34Å; F23-L28 HydrophobicContact CD1-CD1 4.16Å; F23-L28 HydrophobicContact CD1-CG 4.36Å; F23-L28 HydrophobicContact CE1-CD1 3.51Å; F23-L28 HydrophobicContact CE1-CD2 4.39Å; F23-L28 HydrophobicContact CE1-CG 3.92Å; F23-L28 HydrophobicContact CE2-CD2 4.19Å; F23-L28 HydrophobicContact CE2-CG 4.31Å; F23-L28 HydrophobicContact CZ-CD1 3.84Å; F23-L28 HydrophobicContact CZ-CD2 3.88Å; F23-L28 HydrophobicContact CZ-CG 3.9Å; F23-L28 PolarHBondContact O-N 3.5Å; F23-W106 HydrophobicContact CB-CH2 3.61Å; F23-W106 HydrophobicContact CB-CZ2 3.76Å; F23-W106 HydrophobicContact CB-CZ3 4.26Å; F23-W106 HydrophobicContact CD2-CD2 4.22Å; F23-W106 AromaticContact CD2-CE2 3.48Å; F23-W106 VanDerWaalsContact CD2-CE2 3.48Å; F23-W106 HydrophobicContact CD2-CH2 4.12Å; F23-W106 AromaticContact CD2-CZ2 3.43Å; F23-W106 HydrophobicContact CD2-CZ2 3.43Å; F23-W106 VanDerWaalsContact CD2-CZ2 3.43Å; F23-W106 AromaticContact CD2-NE1 3.65Å; F23-W106 HydrophobicContact CE2-CZ2 4.37Å; F23-W106 AromaticContact CE2-NE1 3.84Å; F23-W106 HydrophobicContact CG-CH2 4.28Å; F23-W106 AromaticContact CG-CZ2 3.92Å; F23-W106 HydrophobicContact CG-CZ2 3.92Å; F23-T118 HydrophobicContact CE2-CG2 3.9Å; F23-T118 HydrophobicContact CZ-CG2 4.1Å; F23-A120 HydrophobicContact CD1-CB 3.53Å; F23-A120 HydrophobicContact CE1-CB 3.36Å; F23-A120 HydrophobicContact CG-CB 4.21Å; F23-A120 HydrophobicContact CZ-CB 3.91Å; F23-P121 HydrophobicContact CB-CG 4.5Å; F23-F126 HydrophobicContact CE1-CD1 4.36Å; F23-F126 AromaticContact CE1-CD2 3.95Å; F23-F126 HydrophobicContact CE1-CD2 3.95Å; F23-F126 HydrophobicContact CE1-CE1 4.35Å; F23-F126 AromaticContact CE1-CE2 3.98Å; F23-F126 HydrophobicContact CE1-CE2 3.98Å; F23-F126 HydrophobicContact CE1-CG 4.17Å; F23-F126 HydrophobicContact CE1-CZ 4.19Å; F23-F126 HydrophobicContact CZ-CB 4.17Å; F23-F126 HydrophobicContact CZ-CD1 4.3Å; F23-F126 AromaticContact CZ-CD2 3.89Å; F23-F126 HydrophobicContact CZ-CD2 3.89Å; F23-F126 HydrophobicContact CZ-CE2 4.39Å; F23-F126 AromaticContact CZ-CG 3.87Å; F23-F126 HydrophobicContact CZ-CG 3.87Å
24Y98.8Very high97.3Very high4 Ų429.6 Ų29.62%0.01617%0.172CC..Iπ-helixtrans-71.2-40.6-174.2-76.1-87.1000112.3T20 L28 G29 M30 V59 A70 L72 F126T20-Y24 HydrophobicContact CG2-CD2 3.6Å; T20-Y24 HydrophobicContact CG2-CE2 3.71Å; T20-Y24 WeakPolarHBondContact O-CD2 3.39Å; T20-Y24 PolarHBondContact O-N 3.01Å; Y24-L28 HydrophobicContact CD1-CD1 3.98Å; Y24-L28 HydrophobicContact CE1-CD1 4.27Å; Y24-G29 PolarHBondContact O-N 2.68Å; Y24-M30 HydrophobicContact CD1-SD 3.68Å; Y24-M30 HydrophobicContact CE1-SD 4.32Å; Y24-M30 VanDerWaalsContact O-CB 3.3Å; Y24-M30 WeakPolarHBondContact O-CB 3.48Å; Y24-M30 PolarHBondContact O-N 2.93Å; Y24-V59 HydrophobicContact CD1-CG1 3.59Å; Y24-V59 HydrophobicContact CD1-CG2 4.37Å; Y24-V59 HydrophobicContact CE1-CG1 4.11Å; Y24-V59 HydrophobicContact CG-CG1 3.83Å; Y24-V59 HydrophobicContact CG-CG2 4.35Å; Y24-A70 HydrophobicContact CD1-CB 4.45Å; Y24-A70 HydrophobicContact CE1-CB 3.69Å; Y24-L72 HydrophobicContact CD2-CD1 4.08Å; Y24-L72 HydrophobicContact CD2-CD2 4.21Å; Y24-L72 HydrophobicContact CE1-CD2 4.44Å; Y24-L72 HydrophobicContact CE2-CD1 4.31Å; Y24-L72 HydrophobicContact CE2-CD2 3.6Å; Y24-F126 HydrophobicContact CE1-CE1 4.29Å; Y24-F126 AromaticContact CE1-CZ 3.92Å; Y24-F126 HydrophobicContact CE1-CZ 3.92Å; Y24-F126 AromaticContact CZ-CZ 3.9Å; Y24-F126 WeakPolarHBondContact OH-CZ 3.4Å
25R98Very high97.4Very high71 Ų7130 Ų3027%0.26817%0.173SC..Iπ-helixtrans-79.4-52.6-178.7-68.8165.947.3-176.9-1.6112.9A21 G29 M30 I32 D277A21-R25 WeakPolarHBondContact O-CB 3.41Å; A21-R25 WeakPolarHBondContact O-CG 3.21Å; A21-R25 PolarHBondContact O-N 2.52Å; R25-G29 WeakPolarHBondContact O-CA 3.15Å; R25-G29 PolarHBondContact O-N 3.05Å; R25-M30 WeakPolarHBondContact CA-O 3.3Å; R25-I32 HydrophobicContact CG-CD1 4.23Å; R25-I32 HydrophobicContact CG-CG1 4.33Å; R25-D277 IonicContact NH1-OD1 3.51Å; R25-D277 PolarHBondContact NH1-OD1 3.38Å; R25-D277 IonicContact NH1-OD2 2.92Å
26D98.3Very high97.5Very high68 Ų6829.9 Ų29.936%0.36417%0.167SC..Iπ-helixtrans-95.1-35-165.2-53.9-41.5000112.1T22 N100 L104T22-D26 HydrophobicContact CG2-CB 4.35Å; T22-D26 WeakPolarHBondContact O-CA 3.46Å; T22-D26 VanDerWaalsContact O-CB 3.31Å; T22-D26 WeakPolarHBondContact O-CB 3.43Å; T22-D26 PolarHBondContact O-N 2.78Å; D26-N100 WeakPolarHBondContact O-CB 3.32Å; D26-N100 PolarHBondContact O-ND2 3.32Å; D26-L104 HydrophobicContact CB-CD1 3.79Å
27V98.8Very high97.5Very high0 Ų028.2 Ų28.20%016%0.157CC..Iπ-helixtrans-79.9-62.3174.7-178.80000110.1T22 F23 G29 A97 N100 A101 L104 W106T22-V27 PolarHBondContact O-N 3.45Å; T22-V27 VanDerWaalsContact O-N 3.12Å; F23-V27 HydrophobicContact CD2-CB 4.13Å; F23-V27 HydrophobicContact CD2-CG1 4.25Å; F23-V27 HydrophobicContact CD2-CG2 4.44Å; F23-V27 HydrophobicContact CE2-CG1 4.32Å; F23-V27 WeakPolarHBondContact O-CA 3.42Å; F23-V27 VanDerWaalsContact O-CB 3.23Å; F23-V27 WeakPolarHBondContact O-CB 3.46Å; F23-V27 PolarHBondContact O-N 3.34Å; V27-G29 PolarHBondContact O-N 2.96Å; V27-A97 WeakPolarHBondContact O-CA 3.34Å; V27-N100 VanDerWaalsContact O-CB 3.22Å; V27-N100 WeakPolarHBondContact O-CB 3.4Å; V27-N100 PolarHBondContact O-ND2 3.23Å; V27-A101 HydrophobicContact CG1-CB 3.74Å; V27-L104 HydrophobicContact CG2-CD1 3.82Å; V27-W106 HydrophobicContact CG1-CB 4.38Å; V27-W106 HydrophobicContact CG1-CG 4.27Å; V27-W106 HydrophobicContact CG2-CB 3.96Å; V27-W106 HydrophobicContact CG2-CD2 3.65Å; V27-W106 HydrophobicContact CG2-CE3 3.48Å; V27-W106 VanDerWaalsContact CG2-CE3 3.48Å; V27-W106 HydrophobicContact CG2-CG 3.85Å; V27-W106 HydrophobicContact CG2-CZ3 4.19Å
28L98.8Very high97.5Very high0 Ų028.2 Ų28.20%016%0.158CC..SBendtrans-74.1-25.2-175.6-60.1-171.1000113.4F23 Y24 M30 F61 L92 A97 F126 I128F23-L28 HydrophobicContact CD1-CD1 4.16Å; F23-L28 HydrophobicContact CD1-CG 4.36Å; F23-L28 HydrophobicContact CE1-CD1 3.51Å; F23-L28 HydrophobicContact CE1-CD2 4.39Å; F23-L28 HydrophobicContact CE1-CG 3.92Å; F23-L28 HydrophobicContact CE2-CD2 4.19Å; F23-L28 HydrophobicContact CE2-CG 4.31Å; F23-L28 HydrophobicContact CZ-CD1 3.84Å; F23-L28 HydrophobicContact CZ-CD2 3.88Å; F23-L28 HydrophobicContact CZ-CG 3.9Å; F23-L28 PolarHBondContact O-N 3.5Å; Y24-L28 HydrophobicContact CD1-CD1 3.98Å; Y24-L28 HydrophobicContact CE1-CD1 4.27Å; L28-M30 HydrophobicContact CB-CG 4.13Å; L28-M30 HydrophobicContact CD1-CE 4.03Å; L28-M30 HydrophobicContact CD1-SD 4.28Å; L28-F61 WeakPolarHBondContact O-CE1 3.45Å; L28-L92 HydrophobicContact CD1-CD2 4.09Å; L28-L92 HydrophobicContact CD2-CD2 4.11Å; L28-A97 HydrophobicContact CD2-CB 4.39Å; L28-F126 HydrophobicContact CD1-CD1 4Å; L28-F126 HydrophobicContact CD1-CE1 3.93Å; L28-I128 HydrophobicContact CD2-CD1 4Å
29G98.3Very high97.3Very high34 Ų3431.7 Ų31.735%0.35116%0.164SC..  trans78.820.9-175.400000113.7Y24 R25 V27Y24-G29 PolarHBondContact O-N 2.68Å; R25-G29 WeakPolarHBondContact O-CA 3.15Å; R25-G29 PolarHBondContact O-N 3.05Å; V27-G29 PolarHBondContact O-N 2.96Å
30M98.6Very high96.8Very high8 Ų837.9 Ų37.94%0.03919%0.188CC..  trans-78.8165.1174.8-65.1-175.6174.700111.5Y24 R25 L28 V59 G60 F61 L92 V139Y24-M30 HydrophobicContact CD1-SD 3.68Å; Y24-M30 HydrophobicContact CE1-SD 4.32Å; Y24-M30 VanDerWaalsContact O-CB 3.3Å; Y24-M30 WeakPolarHBondContact O-CB 3.48Å; Y24-M30 PolarHBondContact O-N 2.93Å; R25-M30 WeakPolarHBondContact CA-O 3.3Å; L28-M30 HydrophobicContact CB-CG 4.13Å; L28-M30 HydrophobicContact CD1-CE 4.03Å; L28-M30 HydrophobicContact CD1-SD 4.28Å; M30-V59 HydrophobicContact CB-CG2 3.56Å; M30-V59 HydrophobicContact SD-CG2 4.29Å; M30-G60 WeakPolarHBondContact CA-O 3.5Å; M30-G60 WeakPolarHBondContact CB-O 3.46Å; M30-F61 HydrophobicContact CE-CD2 3.87Å; M30-F61 HydrophobicContact CE-CE2 3.35Å; M30-F61 HydrophobicContact CE-CZ 3.9Å; M30-F61 HydrophobicContact CG-CD1 4.12Å; M30-F61 HydrophobicContact CG-CD2 4.21Å; M30-F61 HydrophobicContact CG-CE1 3.87Å; M30-F61 HydrophobicContact CG-CE2 3.98Å; M30-F61 HydrophobicContact CG-CG 4.28Å; M30-F61 HydrophobicContact CG-CZ 3.8Å; M30-F61 HydrophobicContact SD-CE2 4.49Å; M30-L92 HydrophobicContact CE-CD2 4.3Å; M30-V139 HydrophobicContact CE-CG2 4.32Å
31K97.6Very high96Very high134 Ų13439 Ų3958%0.58320%0.2SC*.EExtended strand (participates in β ladder)trans-115.4141.2178.6-62176-175.8171.40110L33 V59 G60K31-L33 HydrophobicContact CB-CD2 4.41Å; K31-L33 PolarHBondContact O-N 3.11Å; K31-V59 WeakPolarHBondContact O-CA 3.39Å; K31-V59 WeakPolarHBondContact O-CG2 3.41Å; K31-G60 PolarHBondContact N-O 3.27Å; K31-G60 PolarHBondContact O-N 3.34Å; K31-G60 VanDerWaalsContact O-N 3.12Å
32I98.4Very high95.3Very high7 Ų740 Ų404%0.03621%0.207CC..EExtended strand (participates in β ladder)trans-67.4119.9166.6-52.4-53.5000108R25 T57 V59 G272 N273 L276R25-I32 HydrophobicContact CG-CD1 4.23Å; R25-I32 HydrophobicContact CG-CG1 4.33Å; I32-T57 HydrophobicContact CD1-CG2 3.9Å; I32-T57 HydrophobicContact CG2-CG2 3.7Å; I32-V59 HydrophobicContact CD1-CB 4.03Å; I32-V59 HydrophobicContact CD1-CG2 3.86Å; I32-G272 VanDerWaalsContact CG2-C 3.47Å; I32-G272 WeakPolarHBondContact CG2-O 3.33Å; I32-N273 WeakPolarHBondContact CG1-OD1 2.82Å; I32-L276 HydrophobicContact CD1-CD2 3.67Å; I32-L276 HydrophobicContact CG1-CD2 3.84Å
33L98.5Very high94.4Very high5 Ų545 Ų453%0.02622%0.224CC..EExtended strand (participates in β ladder)trans-92.7-39.9-175.4-54.1177.1000110.9K31 M58 G62 E64 V69 V268 D269K31-L33 HydrophobicContact CB-CD2 4.41Å; K31-L33 PolarHBondContact O-N 3.11Å; L33-M58 HydrophobicContact CB-CB 4.19Å; L33-M58 PolarHBondContact N-O 3.39Å; L33-G62 WeakPolarHBondContact CD1-O 3.28Å; L33-G62 WeakPolarHBondContact CD2-O 3.42Å; L33-E64 HydrophobicContact CD1-CG 3.92Å; L33-V69 HydrophobicContact CD1-CB 4.2Å; L33-V69 HydrophobicContact CD1-CG1 3.59Å; L33-V268 HydrophobicContact CD2-CG2 4.44Å; L33-V268 CarbonylContact O-C 3.59Å; L33-V268 WeakPolarHBondContact O-CA 3.48Å; L33-D269 PolarHBondContact O-N 2.88Å
34R98.1Very high93.5Very high3 Ų345 Ų451%0.01122%0.224CC..EExtended strand (participates in β ladder)trans-162.5155.8173.856.6-174.9178.5801.4109.6E36 M58 E64 D269R34-E36 VanDerWaalsContact CD-OE1 3.24Å; R34-E36 WeakPolarHBondContact CD-OE1 3.43Å; R34-E36 WeakPolarHBondContact CG-OE1 3.46Å; R34-E36 IonicContact CZ-OE1 2.85Å; R34-E36 IonicContact NE-OE1 3.37Å; R34-E36 IonicContact NH1-OE1 3.78Å; R34-E36 PolarHBondContact NH1-OE1 2.95Å; R34-E36 IonicContact NH1-OE2 3.81Å; R34-E36 PolarHBondContact NH1-OE2 3.43Å; R34-M58 HydrophobicContact CG-CB 3.85Å; R34-M58 HydrophobicContact CG-CG 3.5Å; R34-M58 VanDerWaalsContact CG-CG 3.5Å; R34-M58 PolarHBondContact NH2-SD 3.26Å; R34-M58 VanDerWaalsContact NH2-SD 3.38Å; R34-M58 PolarHBondContact O-N 2.83Å; R34-E64 WeakPolarHBondContact CD-OE1 3.43Å; R34-E64 IonicContact CZ-OE1 3.53Å; R34-E64 IonicContact CZ-OE2 3.95Å; R34-E64 IonicContact NE-OE1 3.73Å; R34-E64 PolarHBondContact NE-OE1 3.07Å; R34-E64 IonicContact NE-OE2 3.7Å; R34-E64 PolarHBondContact NE-OE2 2.67Å; R34-E64 IonicContact NH2-OE1 2.98Å; R34-E64 IonicContact NH2-OE2 2.95Å; R34-E64 PolarHBondContact NH2-OE2 2.85Å; R34-D269 HydrophobicContact CB-CB 4.26Å
35H97.8Very high92.7Very high15 Ų1547.6 Ų47.67%0.06924%0.24CC..EExtended strand (participates in β ladder)trans-138.2133178.7176.774.7000109.3E37 K56 T57 L275 A279H35-E37 IonicContact CE1-OE1 2.71Å; H35-E37 IonicContact NE2-OE1 3.64Å; H35-E37 PolarHBondContact NE2-OE1 2.94Å; H35-K56 CarbonylContact C-O 3.57Å; H35-K56 WeakPolarHBondContact CA-O 3.25Å; H35-K56 PolarHBondContact ND1-O 3.06Å; H35-T57 PolarHBondContact ND1-OG1 3.3Å; H35-L275 HydrophobicContact CB-CB 4.11Å; H35-A279 WeakPolarHBondContact NE2-CB 3.1Å
36E96.1Very high91.7Very high14 Ų1445.2 Ų45.27%0.06523%0.234CC..EExtended strand (participates in β ladder)trans-132140.3178.8-57.993.5-169.700111.3R34 F38 S55 K56 T235 K238R34-E36 VanDerWaalsContact CD-OE1 3.24Å; R34-E36 WeakPolarHBondContact CD-OE1 3.43Å; R34-E36 WeakPolarHBondContact CG-OE1 3.46Å; R34-E36 IonicContact CZ-OE1 2.85Å; R34-E36 IonicContact NE-OE1 3.37Å; R34-E36 IonicContact NH1-OE1 3.78Å; R34-E36 PolarHBondContact NH1-OE1 2.95Å; R34-E36 IonicContact NH1-OE2 3.81Å; R34-E36 PolarHBondContact NH1-OE2 3.43Å; E36-F38 HydrophobicContact CB-CD2 4.39Å; E36-F38 HydrophobicContact CB-CE2 3.54Å; E36-F38 HydrophobicContact CB-CZ 3.8Å; E36-S55 CarbonylContact O-C 3.6Å; E36-S55 VanDerWaalsContact O-CA 3.22Å; E36-S55 WeakPolarHBondContact O-CA 3.34Å; E36-S55 WeakPolarHBondContact O-CB 3.37Å; E36-K56 PolarHBondContact N-O 3.27Å; E36-K56 PolarHBondContact O-N 2.98Å; E36-T235 HydrophobicContact CG-CG2 3.95Å; E36-K238 IonicContact OE1-NZ 3.32Å; E36-K238 PolarHBondContact OE1-NZ 2.76Å
37E95.1Very high91Very high53 Ų5342 Ų4225%0.24822%0.217CC..EExtended strand (participates in β ladder)trans-109.7136.9174.6-73.5-74.2155.600109.5H35 K53 S55 Y76H35-E37 IonicContact CE1-OE1 2.71Å; H35-E37 IonicContact NE2-OE1 3.64Å; H35-E37 PolarHBondContact NE2-OE1 2.94Å; E37-K53 WeakPolarHBondContact OE2-CE 3.27Å; E37-S55 VanDerWaalsContact CD-CB 3.43Å; E37-S55 WeakPolarHBondContact OE1-CB 3.32Å; E37-S55 PolarHBondContact OE1-OG 2.88Å; E37-Y76 PolarHBondContact OE1-OH 3.18Å; E37-Y76 WeakPolarHBondContact OE2-CE2 3.26Å; E37-Y76 PolarHBondContact OE2-OH 3.26Å
38F93.2Very high90.2Very high25 Ų2542.4 Ų42.411%0.1122%0.222CC..EExtended strand (participates in β ladder)trans-129.3129.5-177.5-60-93.4000109.7E36 K53 W54 K56 T235E36-F38 HydrophobicContact CB-CD2 4.39Å; E36-F38 HydrophobicContact CB-CE2 3.54Å; E36-F38 HydrophobicContact CB-CZ 3.8Å; F38-K53 WeakPolarHBondContact O-CA 3.48Å; F38-K53 VanDerWaalsContact O-CG 3.3Å; F38-K53 WeakPolarHBondContact O-CG 3.22Å; F38-W54 HydrophobicContact CB-CD2 4.15Å; F38-W54 HydrophobicContact CB-CG 4.2Å; F38-W54 HydrophobicContact CB-CZ2 4.12Å; F38-W54 VanDerWaalsContact CB-NE1 3.26Å; F38-W54 AromaticContact CD1-CZ2 3.98Å; F38-W54 HydrophobicContact CD1-CZ2 3.98Å; F38-W54 AromaticContact CD2-CD2 3.91Å; F38-W54 HydrophobicContact CD2-CD2 3.91Å; F38-W54 AromaticContact CD2-CE2 3.61Å; F38-W54 HydrophobicContact CD2-CE3 4.1Å; F38-W54 AromaticContact CD2-CH2 3.79Å; F38-W54 HydrophobicContact CD2-CH2 3.79Å; F38-W54 AromaticContact CD2-CZ2 3.54Å; F38-W54 HydrophobicContact CD2-CZ2 3.54Å; F38-W54 HydrophobicContact CD2-CZ3 4.08Å; F38-W54 HydrophobicContact CE1-CZ2 4.26Å; F38-W54 AromaticContact CE2-CH2 3.71Å; F38-W54 HydrophobicContact CE2-CH2 3.71Å; F38-W54 AromaticContact CE2-CZ2 3.85Å; F38-W54 HydrophobicContact CE2-CZ2 3.85Å; F38-W54 HydrophobicContact CE2-CZ3 4.08Å; F38-W54 HydrophobicContact CG-CD2 4.26Å; F38-W54 AromaticContact CG-CE2 3.6Å; F38-W54 HydrophobicContact CG-CH2 4.32Å; F38-W54 AromaticContact CG-CZ2 3.61Å; F38-W54 HydrophobicContact CG-CZ2 3.61Å; F38-W54 AromaticContact CG-NE1 3.8Å; F38-W54 HydrophobicContact CZ-CH2 4.16Å; F38-W54 HydrophobicContact CZ-CZ2 4.21Å; F38-W54 PolarHBondContact N-O 3.04Å; F38-W54 PolarHBondContact O-N 3.28Å; F38-W54 VanDerWaalsContact O-O 3.12Å; F38-K56 HydrophobicContact CE2-CB 3.83Å; F38-T235 HydrophobicContact CE1-CG2 4.34Å; F38-T235 HydrophobicContact CZ-CG2 4.13Å
39E90.1Very high89.4Confident132 Ų13247.1 Ų47.162%0.61725%0.252SS*.SBendtrans-83.1-18.7-178-62.7-61.5152.300113.2K53E39-K53 IonicContact OE1-NZ 3.95Å; E39-K53 PolarHBondContact OE1-NZ 2.64Å; E39-K53 IonicContact OE2-NZ 2.68Å
40E86.3Confident88.8Confident156 Ų15647.5 Ų47.573%0.72924%0.243SC*.SBendtrans-129.5154.7-178.1-62.8-179.317900111.3W54E40-W54 VanDerWaalsContact O-CD1 3.31Å; E40-W54 PolarHBondContact O-NE1 3.49Å
41G81.8Confident88Confident27 Ų2754.2 Ų54.228%0.27828%0.279SS..  trans-56.1150175.300000113.4D51G41-D51 PolarHBondContact N-O 2.83Å
42C82.7Confident87.4Confident30 Ų3049.6 Ų49.620%0.20327%0.27CS..  trans-77.4133.3-176.2-171.30000112.2A44 T45 C46 N47 W54C42-A44 PolarHBondContact O-N 3.43Å; C42-A44 VanDerWaalsContact O-N 3.14Å; C42-T45 WeakPolarHBondContact O-CA 3.45Å; C42-T45 PolarHBondContact O-N 2.85Å; C42-C46 HydrophobicContact CB-CB 3.92Å; C42-C46 VanDerWaalsContact SG-CB 3.59Å; C42-C46 PolarHBondContact SG-SG 2.96Å; C42-N47 WeakPolarHBondContact CB-OD1 3.14Å; C42-N47 PolarHBondContact N-OD1 3.44Å; C42-W54 HydrophobicContact CB-CH2 4.42Å; C42-W54 HydrophobicContact CB-CZ2 3.75Å
43K78.7Confident87.1Confident159 Ų15952.5 Ų52.569%0.69128%0.282SS*.THydrogen-bonded Turntrans-56.2-30.2177.5-66.3178.8-177.3169.50114.5L233K43-L233 HydrophobicContact CB-CD2 4.18Å
44A78.9Confident86.9Confident0 Ų052.5 Ų52.50%028%0.282CS..THydrogen-bonded Turntrans-103.626176.500000112.6C42 C46 R202 V231 L233 V243 I245C42-A44 PolarHBondContact O-N 3.43Å; C42-A44 VanDerWaalsContact O-N 3.14Å; A44-C46 PolarHBondContact O-N 2.92Å; A44-R202 PolarHBondContact O-NH1 3.25Å; A44-R202 PolarHBondContact O-NH2 3.34Å; A44-V231 HydrophobicContact CB-CG1 4.35Å; A44-L233 HydrophobicContact CB-CD1 3.82Å; A44-L233 HydrophobicContact CB-CD2 3.74Å; A44-L233 HydrophobicContact CB-CG 4.33Å; A44-V243 HydrophobicContact CB-CG2 4.43Å; A44-I245 HydrophobicContact CB-CG1 4.4Å
45T82.9Confident86.8Confident58 Ų5852.3 Ų52.336%0.35628%0.281SS..  trans5030.4177.258.40000113.4C42 N47 G48 R202C42-T45 WeakPolarHBondContact O-CA 3.45Å; C42-T45 PolarHBondContact O-N 2.85Å; T45-N47 PolarHBondContact O-N 3.38Å; T45-N47 VanDerWaalsContact O-N 3.14Å; T45-G48 WeakPolarHBondContact O-CA 3.11Å; T45-G48 PolarHBondContact O-N 2.91Å; T45-R202 PolarHBondContact OG1-NH2 2.87Å
46C76.2Confident86.8Confident21 Ų2153 Ų5314%0.14228%0.284CS..THydrogen-bonded Turntrans-59.6-28.1-178.7-62.10000112.2C42 A44 W54C42-C46 HydrophobicContact CB-CB 3.92Å; C42-C46 VanDerWaalsContact SG-CB 3.59Å; C42-C46 PolarHBondContact SG-SG 2.96Å; A44-C46 PolarHBondContact O-N 2.92Å; C46-W54 HydrophobicContact CB-CH2 4.42Å
47N84.4Confident86.9Confident1 Ų152.5 Ų52.51%0.00528%0.282CS..THydrogen-bonded Turntrans-91.6-1.5175.768.3-58.8000113.9C42 T45 Y50 W54 T73 N75C42-N47 WeakPolarHBondContact CB-OD1 3.14Å; C42-N47 PolarHBondContact N-OD1 3.44Å; T45-N47 PolarHBondContact O-N 3.38Å; T45-N47 VanDerWaalsContact O-N 3.14Å; N47-Y50 PolarHBondContact ND2-O 2.74Å; N47-Y50 WeakPolarHBondContact O-CD2 3.12Å; N47-Y50 WeakPolarHBondContact O-CE2 3.26Å; N47-W54 HydrophobicContact CB-CB 4.26Å; N47-W54 HydrophobicContact CB-CD2 3.5Å; N47-W54 VanDerWaalsContact CB-CD2 3.5Å; N47-W54 HydrophobicContact CB-CE3 3.61Å; N47-W54 HydrophobicContact CB-CG 3.78Å; N47-W54 HydrophobicContact CB-CZ2 4.47Å; N47-W54 HydrophobicContact CB-CZ3 4.11Å; N47-T73 HydrophobicContact CB-CG2 3.71Å; N47-N75 WeakPolarHBondContact CB-OD1 3.4Å; N47-N75 PolarHBondContact ND2-OD1 2.81Å; N47-N75 PolarHBondContact O-ND2 2.88Å
48G81.9Confident87.1Confident9 Ų950 Ų509%0.09327%0.27CS..  trans98.2-163.6-170.800000112.5T45 Y50T45-G48 WeakPolarHBondContact O-CA 3.11Å; T45-G48 PolarHBondContact O-N 2.91Å; G48-Y50 PolarHBondContact O-N 2.77Å
49P81.6Confident87.4Confident98 Ų9848.8 Ų48.864%0.63627%0.265SS*.SBendtrans-79.529.1-178.836-38.3000113.2
50Y85.8Confident87.8Confident42 Ų4242.5 Ų42.517%0.16524%0.236CC..  trans-107.1132.2-173.1-43.5-75000111.6N47 G48 N75 V78 Y81 A299N47-Y50 PolarHBondContact ND2-O 2.74Å; N47-Y50 WeakPolarHBondContact O-CD2 3.12Å; N47-Y50 WeakPolarHBondContact O-CE2 3.26Å; G48-Y50 PolarHBondContact O-N 2.77Å; Y50-N75 HydrophobicContact CD2-CB 4.35Å; Y50-N75 WeakPolarHBondContact CD2-ND2 3.5Å; Y50-V78 HydrophobicContact CD1-CG2 4.23Å; Y50-V78 HydrophobicContact CE1-CG2 4.22Å; Y50-Y81 AromaticContact CE2-CE1 3.84Å; Y50-Y81 HydrophobicContact CE2-CE1 3.84Å; Y50-Y81 AromaticContact CZ-CE1 3.78Å; Y50-Y81 WeakPolarHBondContact OH-CE1 3.47Å; Y50-A299 HydrophobicContact CE1-CB 4.26Å; Y50-A299 WeakPolarHBondContact OH-CB 3.24Å
51D81.3Confident88.4Confident149 Ų14936.5 Ų36.580%0.79721%0.207SC*.  trans-96.1-0.6-175-62-30.1000113.9G41G41-D51 PolarHBondContact N-O 2.83Å
52G85.2Confident89.1Confident38 Ų3835.7 Ų35.739%0.39220%0.198SC..SBendtrans-88.9-179.6-175.200000114.7W54G52-W54 PolarHBondContact O-N 3.49Å
53K91.8Very high89.9Confident68 Ų6837 Ų3730%0.29621%0.207SC..  trans-54.7137.5171.2-173.5179-179.8132.60110.5E37 F38 E39 Y76E37-K53 WeakPolarHBondContact OE2-CE 3.27Å; F38-K53 WeakPolarHBondContact O-CA 3.48Å; F38-K53 VanDerWaalsContact O-CG 3.3Å; F38-K53 WeakPolarHBondContact O-CG 3.22Å; E39-K53 IonicContact OE1-NZ 3.95Å; E39-K53 PolarHBondContact OE1-NZ 2.64Å; E39-K53 IonicContact OE2-NZ 2.68Å; K53-Y76 HydrophobicContact CB-CD2 4.04Å; K53-Y76 HydrophobicContact CB-CG 4.22Å; K53-Y76 HydrophobicContact CD-CD1 4.33Å; K53-Y76 HydrophobicContact CD-CD2 3.99Å; K53-Y76 HydrophobicContact CD-CE1 4.38Å; K53-Y76 HydrophobicContact CD-CE2 4.04Å; K53-Y76 HydrophobicContact CD-CG 4.14Å; K53-Y76 HydrophobicContact CG-CD2 3.61Å; K53-Y76 HydrophobicContact CG-CE2 3.88Å; K53-Y76 HydrophobicContact CG-CG 4.08Å; K53-Y76 WeakPolarHBondContact O-CB 3.26Å; K53-Y76 WeakPolarHBondContact O-CD2 3.15Å; K53-Y76 PolarHBondContact O-N 2.86Å
54W94.9Very high90.8Very high4 Ų429.5 Ų29.52%0.01517%0.174CC..EExtended strand (participates in β ladder)trans-148.5165177.367.9-75.8000110.6F38 E40 C42 C46 N47 G52 K56 T73 Y74F38-W54 HydrophobicContact CB-CD2 4.15Å; F38-W54 HydrophobicContact CB-CG 4.2Å; F38-W54 HydrophobicContact CB-CZ2 4.12Å; F38-W54 VanDerWaalsContact CB-NE1 3.26Å; F38-W54 AromaticContact CD1-CZ2 3.98Å; F38-W54 HydrophobicContact CD1-CZ2 3.98Å; F38-W54 AromaticContact CD2-CD2 3.91Å; F38-W54 HydrophobicContact CD2-CD2 3.91Å; F38-W54 AromaticContact CD2-CE2 3.61Å; F38-W54 HydrophobicContact CD2-CE3 4.1Å; F38-W54 AromaticContact CD2-CH2 3.79Å; F38-W54 HydrophobicContact CD2-CH2 3.79Å; F38-W54 AromaticContact CD2-CZ2 3.54Å; F38-W54 HydrophobicContact CD2-CZ2 3.54Å; F38-W54 HydrophobicContact CD2-CZ3 4.08Å; F38-W54 HydrophobicContact CE1-CZ2 4.26Å; F38-W54 AromaticContact CE2-CH2 3.71Å; F38-W54 HydrophobicContact CE2-CH2 3.71Å; F38-W54 AromaticContact CE2-CZ2 3.85Å; F38-W54 HydrophobicContact CE2-CZ2 3.85Å; F38-W54 HydrophobicContact CE2-CZ3 4.08Å; F38-W54 HydrophobicContact CG-CD2 4.26Å; F38-W54 AromaticContact CG-CE2 3.6Å; F38-W54 HydrophobicContact CG-CH2 4.32Å; F38-W54 AromaticContact CG-CZ2 3.61Å; F38-W54 HydrophobicContact CG-CZ2 3.61Å; F38-W54 AromaticContact CG-NE1 3.8Å; F38-W54 HydrophobicContact CZ-CH2 4.16Å; F38-W54 HydrophobicContact CZ-CZ2 4.21Å; F38-W54 PolarHBondContact N-O 3.04Å; F38-W54 PolarHBondContact O-N 3.28Å; F38-W54 VanDerWaalsContact O-O 3.12Å; E40-W54 VanDerWaalsContact O-CD1 3.31Å; E40-W54 PolarHBondContact O-NE1 3.49Å; C42-W54 HydrophobicContact CB-CH2 4.42Å; C42-W54 HydrophobicContact CB-CZ2 3.75Å; C46-W54 HydrophobicContact CB-CH2 4.42Å; N47-W54 HydrophobicContact CB-CB 4.26Å; N47-W54 HydrophobicContact CB-CD2 3.5Å; N47-W54 VanDerWaalsContact CB-CD2 3.5Å; N47-W54 HydrophobicContact CB-CE3 3.61Å; N47-W54 HydrophobicContact CB-CG 3.78Å; N47-W54 HydrophobicContact CB-CZ2 4.47Å; N47-W54 HydrophobicContact CB-CZ3 4.11Å; G52-W54 PolarHBondContact O-N 3.49Å; W54-K56 HydrophobicContact CH2-CB 4.49Å; W54-K56 HydrophobicContact CZ3-CB 3.87Å; W54-T73 HydrophobicContact CE3-CG2 4.05Å; W54-T73 HydrophobicContact CZ3-CG2 4.46Å; W54-Y74 CarbonylContact C-O 3.51Å; W54-Y74 WeakPolarHBondContact CA-O 3.32Å; W54-Y74 VanDerWaalsContact CB-O 3.26Å; W54-Y74 WeakPolarHBondContact CB-O 3.17Å
55S96.6Very high91.7Very high0 Ų032.8 Ų32.80%019%0.192CC..EExtended strand (participates in β ladder)trans-133.7155.2172.161.30000112.9E36 E37 T73 Y74E36-S55 CarbonylContact O-C 3.6Å; E36-S55 VanDerWaalsContact O-CA 3.22Å; E36-S55 WeakPolarHBondContact O-CA 3.34Å; E36-S55 WeakPolarHBondContact O-CB 3.37Å; E37-S55 VanDerWaalsContact CD-CB 3.43Å; E37-S55 WeakPolarHBondContact OE1-CB 3.32Å; E37-S55 PolarHBondContact OE1-OG 2.88Å; S55-T73 WeakPolarHBondContact O-CA 3.41Å; S55-Y74 PolarHBondContact N-O 3.4Å; S55-Y74 PolarHBondContact O-N 3.22Å
56K97.6Very high92.3Very high28 Ų2835.1 Ų35.112%0.12220%0.202CC..EExtended strand (participates in β ladder)trans-118.7130.3178.7-176.4178.6-69.6-140.50108.4H35 E36 F38 W54 M58 E71 L72H35-K56 CarbonylContact C-O 3.57Å; H35-K56 WeakPolarHBondContact CA-O 3.25Å; H35-K56 PolarHBondContact ND1-O 3.06Å; E36-K56 PolarHBondContact N-O 3.27Å; E36-K56 PolarHBondContact O-N 2.98Å; F38-K56 HydrophobicContact CE2-CB 3.83Å; W54-K56 HydrophobicContact CH2-CB 4.49Å; W54-K56 HydrophobicContact CZ3-CB 3.87Å; K56-M58 HydrophobicContact CD-SD 4.08Å; K56-M58 HydrophobicContact CG-SD 4Å; K56-E71 HydrophobicContact CD-CG 4.1Å; K56-E71 WeakPolarHBondContact CD-OE2 3.2Å; K56-E71 VanDerWaalsContact CE-CD 3.43Å; K56-E71 WeakPolarHBondContact CE-OE1 3.3Å; K56-E71 WeakPolarHBondContact CE-OE2 3.29Å; K56-E71 HydrophobicContact CG-CG 3.79Å; K56-E71 IonicContact NZ-OE1 2.8Å; K56-E71 PolarHBondContact NZ-OE1 3.05Å; K56-E71 IonicContact NZ-OE2 3.78Å; K56-E71 PolarHBondContact NZ-OE2 3.04Å; K56-L72 CarbonylContact C-O 3.53Å; K56-L72 WeakPolarHBondContact CA-O 3.41Å
57T98.6Very high93.4Very high5 Ų535.3 Ų35.33%0.03120%0.201CC..EExtended strand (participates in β ladder)trans-131.3120174.8-50.20000109.5I32 H35 L72 L276I32-T57 HydrophobicContact CD1-CG2 3.9Å; I32-T57 HydrophobicContact CG2-CG2 3.7Å; H35-T57 PolarHBondContact ND1-OG1 3.3Å; T57-L72 PolarHBondContact N-O 3.36Å; T57-L72 WeakPolarHBondContact O-CB 3.49Å; T57-L72 PolarHBondContact O-N 2.93Å; T57-L276 HydrophobicContact CG2-CD1 4.31Å; T57-L276 HydrophobicContact CG2-CD2 4.09Å
58M98.8Very high94.1Very high0 Ų035.4 Ų35.40%020%0.201CC..EExtended strand (participates in β ladder)trans-90.8130.5174.1-49.8-53.5-6900109.6H9 L33 R34 K56 E64 V69 A70 E71H9-M58 HydrophobicContact CB-CE 4.18Å; L33-M58 HydrophobicContact CB-CB 4.19Å; L33-M58 PolarHBondContact N-O 3.39Å; R34-M58 HydrophobicContact CG-CB 3.85Å; R34-M58 HydrophobicContact CG-CG 3.5Å; R34-M58 VanDerWaalsContact CG-CG 3.5Å; R34-M58 PolarHBondContact NH2-SD 3.26Å; R34-M58 VanDerWaalsContact NH2-SD 3.38Å; R34-M58 PolarHBondContact O-N 2.83Å; K56-M58 HydrophobicContact CD-SD 4.08Å; K56-M58 HydrophobicContact CG-SD 4Å; M58-E64 WeakPolarHBondContact CE-OE2 3.44Å; M58-V69 HydrophobicContact CE-CG2 3.66Å; M58-A70 WeakPolarHBondContact CA-O 3.4Å; M58-E71 HydrophobicContact CE-CB 3.65Å; M58-E71 HydrophobicContact CE-CG 4.17Å; M58-E71 HydrophobicContact SD-CB 3.67Å; M58-E71 HydrophobicContact SD-CG 3.59Å; M58-E71 VanDerWaalsContact SD-CG 3.59Å
59V98.8Very high94.9Very high0 Ų035.1 Ų35.10%020%0.197CC..EExtended strand (participates in β ladder)trans-138.3131.7-178.3640000110.9Y24 M30 K31 I32 V69 A70 L72Y24-V59 HydrophobicContact CD1-CG1 3.59Å; Y24-V59 HydrophobicContact CD1-CG2 4.37Å; Y24-V59 HydrophobicContact CE1-CG1 4.11Å; Y24-V59 HydrophobicContact CG-CG1 3.83Å; Y24-V59 HydrophobicContact CG-CG2 4.35Å; M30-V59 HydrophobicContact CB-CG2 3.56Å; M30-V59 HydrophobicContact SD-CG2 4.29Å; K31-V59 WeakPolarHBondContact O-CA 3.39Å; K31-V59 WeakPolarHBondContact O-CG2 3.41Å; I32-V59 HydrophobicContact CD1-CB 4.03Å; I32-V59 HydrophobicContact CD1-CG2 3.86Å; V59-V69 WeakPolarHBondContact O-CB 3.32Å; V59-A70 HydrophobicContact CG1-CB 3.85Å; V59-A70 PolarHBondContact N-O 2.77Å; V59-A70 PolarHBondContact O-N 2.83Å; V59-L72 HydrophobicContact CG1-CD1 3.74Å; V59-L72 HydrophobicContact CG1-CD2 4.35Å; V59-L72 HydrophobicContact CG1-CG 3.91Å
60G98.6Very high95.7Very high0 Ų030.5 Ų30.50%017%0.168CC..EExtended strand (participates in β ladder)trans-166.6-178.3-175.500000113.2M30 K31M30-G60 WeakPolarHBondContact CA-O 3.5Å; M30-G60 WeakPolarHBondContact CB-O 3.46Å; K31-G60 PolarHBondContact N-O 3.27Å; K31-G60 PolarHBondContact O-N 3.34Å; K31-G60 VanDerWaalsContact O-N 3.12Å
61F98.5Very high96.3Very high30 Ų3028.8 Ų28.813%0.13216%0.161CC..SBendtrans-82.5-15.8178.8-69.2-71.2000113.7L28 M30 L92 P138 V139L28-F61 WeakPolarHBondContact O-CE1 3.45Å; M30-F61 HydrophobicContact CE-CD2 3.87Å; M30-F61 HydrophobicContact CE-CE2 3.35Å; M30-F61 HydrophobicContact CE-CZ 3.9Å; M30-F61 HydrophobicContact CG-CD1 4.12Å; M30-F61 HydrophobicContact CG-CD2 4.21Å; M30-F61 HydrophobicContact CG-CE1 3.87Å; M30-F61 HydrophobicContact CG-CE2 3.98Å; M30-F61 HydrophobicContact CG-CG 4.28Å; M30-F61 HydrophobicContact CG-CZ 3.8Å; M30-F61 HydrophobicContact SD-CE2 4.49Å; F61-L92 HydrophobicContact CE2-CD2 4.25Å; F61-L92 HydrophobicContact CZ-CD1 4.31Å; F61-L92 HydrophobicContact CZ-CD2 4.36Å; F61-P138 HydrophobicContact CB-CG 3.97Å; F61-P138 HydrophobicContact CD1-CG 4.11Å; F61-P138 HydrophobicContact CD2-CB 3.8Å; F61-P138 HydrophobicContact CD2-CG 3.67Å; F61-P138 HydrophobicContact CE2-CB 3.87Å; F61-P138 HydrophobicContact CE2-CG 4.16Å; F61-P138 HydrophobicContact CG-CB 4.27Å; F61-P138 HydrophobicContact CG-CG 3.64Å; F61-P138 HydrophobicContact CZ-CB 4.41Å; F61-V139 HydrophobicContact CD2-CG2 4.07Å; F61-V139 HydrophobicContact CE2-CG2 4.17Å
62G97.9Very high97.1Very high9 Ų922.3 Ų22.39%0.09313%0.126CC..SBendtrans-165-173.2179.600000112.5L33 H67L33-G62 WeakPolarHBondContact CD1-O 3.28Å; L33-G62 WeakPolarHBondContact CD2-O 3.42Å; G62-H67 PolarHBondContact N-CD2 3.3Å
63P98.3Very high97.7Very high58 Ų5820.5 Ų20.538%0.37711%0.108SC..  trans-56.5146.8-178.8-2434.9000113.4D65 D66 H67 V268P63-D65 PolarHBondContact O-N 3.06Å; P63-D66 PolarHBondContact O-N 2.69Å; P63-H67 WeakPolarHBondContact O-CB 3.49Å; P63-H67 PolarHBondContact O-N 3.44Å; P63-H67 PolarHBondContact O-ND1 3.05Å; P63-V268 HydrophobicContact CB-CG2 3.84Å; P63-V268 HydrophobicContact CG-CG2 4.14Å
64E98.4Very high98Very high2 Ų217.6 Ų17.61%0.00910%0.095CC..THydrogen-bonded Turntrans-65.2-9.9178.2-72.6171.2-107.500113.7R6 L33 R34 M58 D66 V69 S266R6-E64 PolarHBondContact NH1-O 2.61Å; L33-E64 HydrophobicContact CD1-CG 3.92Å; R34-E64 WeakPolarHBondContact CD-OE1 3.43Å; R34-E64 IonicContact CZ-OE1 3.53Å; R34-E64 IonicContact CZ-OE2 3.95Å; R34-E64 IonicContact NE-OE1 3.73Å; R34-E64 PolarHBondContact NE-OE1 3.07Å; R34-E64 IonicContact NE-OE2 3.7Å; R34-E64 PolarHBondContact NE-OE2 2.67Å; R34-E64 IonicContact NH2-OE1 2.98Å; R34-E64 IonicContact NH2-OE2 2.95Å; R34-E64 PolarHBondContact NH2-OE2 2.85Å; M58-E64 WeakPolarHBondContact CE-OE2 3.44Å; E64-D66 VanDerWaalsContact C-N 3.34Å; E64-V69 HydrophobicContact CG-CG1 4.09Å; E64-V69 HydrophobicContact CG-CG2 3.82Å; E64-S266 WeakPolarHBondContact OE2-CB 3.42Å
65D97.1Very high98Very high69 Ų6917.6 Ų17.637%0.36910%0.095SC..THydrogen-bonded Turntrans-69.3-31.5177.8-86.8-29.3000113.1R6 P63 R263R6-D65 PolarHBondContact NH1-O 3.34Å; P63-D65 PolarHBondContact O-N 3.06Å; D65-R263 WeakPolarHBondContact OD1-CG 3.29Å; D65-R263 IonicContact OD1-CZ 3.57Å; D65-R263 IonicContact OD1-NH1 3.38Å; D65-R263 PolarHBondContact OD1-NH1 2.88Å
66D96.1Very high97.8Very high107 Ų10720.3 Ų20.357%0.57211%0.106SC*.THydrogen-bonded Turntrans-136.6-0.9-172.163.6-16.6000114.2P63 E64P63-D66 PolarHBondContact O-N 2.69Å; E64-D66 VanDerWaalsContact C-N 3.34Å
67H98.6Very high97.4Very high25 Ų2519.7 Ų19.712%0.11611%0.108CC..SBendtrans-117.3146.8175.7-64.668000112.3G62 P63 V69 D137G62-H67 PolarHBondContact N-CD2 3.3Å; P63-H67 WeakPolarHBondContact O-CB 3.49Å; P63-H67 PolarHBondContact O-N 3.44Å; P63-H67 PolarHBondContact O-ND1 3.05Å; H67-V69 HydrophobicContact CB-CG1 4.14Å; H67-D137 IonicContact CD2-OD1 2.83Å
68F98.8Very high97.1Very high3 Ų320.2 Ų20.21%0.01311%0.111CC..  trans-82.6126.3162.5-170.8-84.5000109.7A7 L8 F10 L90 D137 V139 V142 C183 I203A7-F68 HydrophobicContact CB-CD2 3.8Å; A7-F68 HydrophobicContact CB-CE2 4.12Å; L8-F68 VanDerWaalsContact O-CA 3.31Å; L8-F68 WeakPolarHBondContact O-CA 3.34Å; F10-F68 HydrophobicContact CB-CE1 4.06Å; F10-F68 HydrophobicContact CB-CZ 3.95Å; F68-L90 HydrophobicContact CE1-CD1 4.31Å; F68-D137 WeakPolarHBondContact CB-OD2 3.38Å; F68-D137 PolarHBondContact N-OD2 2.85Å; F68-V139 HydrophobicContact CB-CB 4.37Å; F68-V139 HydrophobicContact CB-CG1 4.33Å; F68-V139 HydrophobicContact CD1-CG1 3.78Å; F68-V139 HydrophobicContact CG-CG1 4.37Å; F68-V142 HydrophobicContact CE1-CG2 3.69Å; F68-V142 HydrophobicContact CZ-CG2 3.61Å; F68-C183 HydrophobicContact CB-CB 3.4Å; F68-C183 VanDerWaalsContact CB-CB 3.4Å; F68-C183 HydrophobicContact CD1-CB 4.21Å; F68-C183 HydrophobicContact CD2-CB 3.5Å; F68-C183 HydrophobicContact CE2-CB 4.28Å; F68-C183 HydrophobicContact CG-CB 3.43Å; F68-C183 VanDerWaalsContact CG-CB 3.43Å; F68-I203 HydrophobicContact CE2-CD1 4.38Å; F68-I203 HydrophobicContact CE2-CG1 4.38Å; F68-I203 HydrophobicContact CZ-CD1 4.4Å; F68-I203 HydrophobicContact CZ-CG1 4.42Å
69V98.9Very high96.6Very high2 Ų221.4 Ų21.41%0.01212%0.123CC..EExtended strand (participates in β ladder)trans-122.9170.9-171.4-51.40000111.8L8 H9 F10 L33 M58 V59 E64 H67L8-V69 PolarHBondContact O-N 3.15Å; H9-V69 WeakPolarHBondContact CA-O 3.43Å; H9-V69 HydrophobicContact CB-CG2 3.7Å; H9-V69 WeakPolarHBondContact CB-O 3.27Å; F10-V69 PolarHBondContact N-O 3.06Å; F10-V69 VanDerWaalsContact N-O 3.16Å; L33-V69 HydrophobicContact CD1-CB 4.2Å; L33-V69 HydrophobicContact CD1-CG1 3.59Å; M58-V69 HydrophobicContact CE-CG2 3.66Å; V59-V69 WeakPolarHBondContact O-CB 3.32Å; E64-V69 HydrophobicContact CG-CG1 4.09Å; E64-V69 HydrophobicContact CG-CG2 3.82Å; H67-V69 HydrophobicContact CB-CG1 4.14Å
70A98.9Very high96.3Very high2 Ų227.5 Ų27.52%0.01715%0.152CC..EExtended strand (participates in β ladder)trans-98129.6168.400000109.5F12 Y24 M58 V59 L72F12-A70 HydrophobicContact CD2-CB 3.9Å; F12-A70 HydrophobicContact CE2-CB 3.86Å; Y24-A70 HydrophobicContact CD1-CB 4.45Å; Y24-A70 HydrophobicContact CE1-CB 3.69Å; M58-A70 WeakPolarHBondContact CA-O 3.4Å; V59-A70 HydrophobicContact CG1-CB 3.85Å; V59-A70 PolarHBondContact N-O 2.77Å; V59-A70 PolarHBondContact O-N 2.83Å; A70-L72 HydrophobicContact CB-CD2 4.27Å
71E98.8Very high96.2Very high6 Ų628.1 Ų28.13%0.02815%0.154CC..EExtended strand (participates in β ladder)trans-93.7114.8166.2178.1167125.400108.2H9 F10 V11 F12 K56 M58H9-E71 IonicContact CE1-OE2 3.57Å; H9-E71 IonicContact NE2-OE2 3.79Å; F10-E71 PolarHBondContact O-N 3.16Å; V11-E71 CarbonylContact C-O 3.57Å; V11-E71 WeakPolarHBondContact CA-O 3.29Å; V11-E71 HydrophobicContact CB-CB 4.4Å; V11-E71 HydrophobicContact CG1-CG 4.29Å; V11-E71 HydrophobicContact CG2-CB 4.01Å; V11-E71 HydrophobicContact CG2-CG 4.2Å; F12-E71 PolarHBondContact N-O 2.59Å; K56-E71 HydrophobicContact CD-CG 4.1Å; K56-E71 WeakPolarHBondContact CD-OE2 3.2Å; K56-E71 VanDerWaalsContact CE-CD 3.43Å; K56-E71 WeakPolarHBondContact CE-OE1 3.3Å; K56-E71 WeakPolarHBondContact CE-OE2 3.29Å; K56-E71 HydrophobicContact CG-CG 3.79Å; K56-E71 IonicContact NZ-OE1 2.8Å; K56-E71 PolarHBondContact NZ-OE1 3.05Å; K56-E71 IonicContact NZ-OE2 3.78Å; K56-E71 PolarHBondContact NZ-OE2 3.04Å; M58-E71 HydrophobicContact CE-CB 3.65Å; M58-E71 HydrophobicContact CE-CG 4.17Å; M58-E71 HydrophobicContact SD-CB 3.67Å; M58-E71 HydrophobicContact SD-CG 3.59Å; M58-E71 VanDerWaalsContact SD-CG 3.59Å
72L98.6Very high96.1Very high12 Ų1232.7 Ų32.76%0.06318%0.176CC..EExtended strand (participates in β ladder)trans-97.7114.5179.3-52.3178.6000109.6F12 V14 T20 Y24 K56 T57 V59 A70F12-L72 HydrophobicContact CB-CD2 4.23Å; F12-L72 HydrophobicContact CD2-CD2 4.45Å; V14-L72 HydrophobicContact CG2-CB 4.08Å; V14-L72 HydrophobicContact CG2-CD2 4.14Å; T20-L72 HydrophobicContact CG2-CD1 3.64Å; T20-L72 HydrophobicContact CG2-CD2 4.24Å; T20-L72 HydrophobicContact CG2-CG 4.49Å; Y24-L72 HydrophobicContact CD2-CD1 4.08Å; Y24-L72 HydrophobicContact CD2-CD2 4.21Å; Y24-L72 HydrophobicContact CE1-CD2 4.44Å; Y24-L72 HydrophobicContact CE2-CD1 4.31Å; Y24-L72 HydrophobicContact CE2-CD2 3.6Å; K56-L72 CarbonylContact C-O 3.53Å; K56-L72 WeakPolarHBondContact CA-O 3.41Å; T57-L72 PolarHBondContact N-O 3.36Å; T57-L72 WeakPolarHBondContact O-CB 3.49Å; T57-L72 PolarHBondContact O-N 2.93Å; V59-L72 HydrophobicContact CG1-CD1 3.74Å; V59-L72 HydrophobicContact CG1-CD2 4.35Å; V59-L72 HydrophobicContact CG1-CG 3.91Å; A70-L72 HydrophobicContact CB-CD2 4.27Å
73T97.9Very high96.1Very high1 Ų135 Ų351%0.00619%0.185CC..EExtended strand (participates in β ladder)trans-99.3118.2176.8-63.10000109.5V11 F12 V14 N47 W54 S55V11-T73 WeakPolarHBondContact CG1-OG1 3.27Å; F12-T73 PolarHBondContact O-N 3.34Å; V14-T73 PolarHBondContact N-O 3.36Å; N47-T73 HydrophobicContact CB-CG2 3.71Å; W54-T73 HydrophobicContact CE3-CG2 4.05Å; W54-T73 HydrophobicContact CZ3-CG2 4.46Å; S55-T73 WeakPolarHBondContact O-CA 3.41Å
74Y96.9Very high96.1Very high7 Ų733 Ų333%0.02718%0.176CC..EExtended strand (participates in β ladder)trans-111.6119.5172.6-179.5-104.1000110.8V14 G15 R17 W54 S55 Y76 K296V14-Y74 WeakPolarHBondContact O-CD2 3.3Å; G15-Y74 WeakPolarHBondContact O-CE2 3.24Å; R17-Y74 HydrophobicContact CG-CD1 4.3Å; R17-Y74 HydrophobicContact CG-CD2 3.32Å; R17-Y74 HydrophobicContact CG-CE2 3.79Å; R17-Y74 HydrophobicContact CG-CG 3.58Å; R17-Y74 VanDerWaalsContact NE-CZ 3.35Å; W54-Y74 CarbonylContact C-O 3.51Å; W54-Y74 WeakPolarHBondContact CA-O 3.32Å; W54-Y74 VanDerWaalsContact CB-O 3.26Å; W54-Y74 WeakPolarHBondContact CB-O 3.17Å; S55-Y74 PolarHBondContact N-O 3.4Å; S55-Y74 PolarHBondContact O-N 3.22Å; Y74-Y76 AromaticContact CD1-CD2 3.87Å; Y74-Y76 HydrophobicContact CD1-CD2 3.87Å; Y74-Y76 AromaticContact CD1-CE2 3.92Å; Y74-Y76 HydrophobicContact CD1-CE2 3.92Å; Y74-Y76 HydrophobicContact CD1-CG 4.25Å; Y74-Y76 HydrophobicContact CE1-CD1 4.01Å; Y74-Y76 HydrophobicContact CE1-CD2 4Å; Y74-Y76 HydrophobicContact CE1-CE1 4.22Å; Y74-Y76 HydrophobicContact CE1-CE2 4.23Å; Y74-Y76 AromaticContact CE1-CG 3.9Å; Y74-Y76 HydrophobicContact CE1-CG 3.9Å; Y74-K296 PolarHBondContact OH-NZ 3.24Å
75N95.6Very high96Very high3 Ų335.8 Ų35.82%0.01619%0.191CC..EExtended strand (participates in β ladder)trans-96.7122.1173.3-66.3-79.9000109.6N47 Y50 G77 V78 Y81N47-N75 WeakPolarHBondContact CB-OD1 3.4Å; N47-N75 PolarHBondContact ND2-OD1 2.81Å; N47-N75 PolarHBondContact O-ND2 2.88Å; Y50-N75 HydrophobicContact CD2-CB 4.35Å; Y50-N75 WeakPolarHBondContact CD2-ND2 3.5Å; N75-G77 PolarHBondContact O-N 3.29Å; N75-V78 HydrophobicContact CB-CB 4.21Å; N75-V78 HydrophobicContact CB-CG2 3.88Å; N75-V78 PolarHBondContact O-N 3.1Å; N75-V78 VanDerWaalsContact O-N 3.11Å; N75-Y81 WeakPolarHBondContact CB-OH 3.45Å; N75-Y81 PolarHBondContact ND2-OH 3.16Å
76Y91.9Very high96.1Very high57 Ų5732.7 Ų32.722%0.22417%0.174CC..THydrogen-bonded Turntrans-65114.4-178.6-76.1-105.1000109.5R17 E37 K53 Y74 D283R17-Y76 PolarHBondContact NH1-OH 3.31Å; E37-Y76 PolarHBondContact OE1-OH 3.18Å; E37-Y76 WeakPolarHBondContact OE2-CE2 3.26Å; E37-Y76 PolarHBondContact OE2-OH 3.26Å; K53-Y76 HydrophobicContact CB-CD2 4.04Å; K53-Y76 HydrophobicContact CB-CG 4.22Å; K53-Y76 HydrophobicContact CD-CD1 4.33Å; K53-Y76 HydrophobicContact CD-CD2 3.99Å; K53-Y76 HydrophobicContact CD-CE1 4.38Å; K53-Y76 HydrophobicContact CD-CE2 4.04Å; K53-Y76 HydrophobicContact CD-CG 4.14Å; K53-Y76 HydrophobicContact CG-CD2 3.61Å; K53-Y76 HydrophobicContact CG-CE2 3.88Å; K53-Y76 HydrophobicContact CG-CG 4.08Å; K53-Y76 WeakPolarHBondContact O-CB 3.26Å; K53-Y76 WeakPolarHBondContact O-CD2 3.15Å; K53-Y76 PolarHBondContact O-N 2.86Å; Y74-Y76 AromaticContact CD1-CD2 3.87Å; Y74-Y76 HydrophobicContact CD1-CD2 3.87Å; Y74-Y76 AromaticContact CD1-CE2 3.92Å; Y74-Y76 HydrophobicContact CD1-CE2 3.92Å; Y74-Y76 HydrophobicContact CD1-CG 4.25Å; Y74-Y76 HydrophobicContact CE1-CD1 4.01Å; Y74-Y76 HydrophobicContact CE1-CD2 4Å; Y74-Y76 HydrophobicContact CE1-CE1 4.22Å; Y74-Y76 HydrophobicContact CE1-CE2 4.23Å; Y74-Y76 AromaticContact CE1-CG 3.9Å; Y74-Y76 HydrophobicContact CE1-CG 3.9Å; Y76-D283 WeakPolarHBondContact CD1-OD2 3.42Å; Y76-D283 HydrophobicContact CE1-CB 4.19Å; Y76-D283 WeakPolarHBondContact CE1-OD2 3.09Å
77G89.6Confident96.2Very high15 Ų1527.9 Ų27.916%0.15515%0.149CC..THydrogen-bonded Turntrans101.5-3179.500000115.6N75 P297N75-G77 PolarHBondContact O-N 3.29Å; G77-P297 WeakPolarHBondContact O-CD 3.25Å; G77-P297 VanDerWaalsContact O-CG 3.3Å; G77-P297 WeakPolarHBondContact O-CG 3.46Å
78V91.6Very high96.2Very high16 Ų1628.4 Ų28.410%0.09715%0.152CC..  trans-96.4126.3167.7-174.50000108.9Y50 N75 Y81 A299Y50-V78 HydrophobicContact CD1-CG2 4.23Å; Y50-V78 HydrophobicContact CE1-CG2 4.22Å; N75-V78 HydrophobicContact CB-CB 4.21Å; N75-V78 HydrophobicContact CB-CG2 3.88Å; N75-V78 PolarHBondContact O-N 3.1Å; N75-V78 VanDerWaalsContact O-N 3.11Å; V78-Y81 HydrophobicContact CB-CE2 4.44Å; V78-Y81 HydrophobicContact CG1-CD1 4.39Å; V78-Y81 HydrophobicContact CG1-CD2 4.44Å; V78-Y81 HydrophobicContact CG1-CE1 3.76Å; V78-Y81 HydrophobicContact CG1-CE2 3.81Å; V78-Y81 VanDerWaalsContact CG1-CZ 3.42Å; V78-Y81 WeakPolarHBondContact CG1-OH 3.48Å; V78-A299 HydrophobicContact CG1-CB 3.79Å
79G89.2Confident96.2Very high25 Ų2528.3 Ų28.326%0.25815%0.151SC..  trans-99-27.2-175.100000114.3G15 P297G15-G79 VanDerWaalsContact CA-O 3.26Å; G15-G79 WeakPolarHBondContact CA-O 3.43Å; G79-P297 PolarHBondContact N-O 2.77Å
80E92.8Very high96.2Very high129 Ų12928.3 Ų28.360%0.60315%0.151SC*.BIsolated β-bridgetrans-151.4149.6-172-174.6171.7-171.900110.5A298 A299E80-A298 HydrophobicContact CB-CB 4.02Å; E80-A298 WeakPolarHBondContact O-CA 3.44Å; E80-A299 PolarHBondContact O-N 3.2Å
81Y96.1Very high96.2Very high12 Ų1228.8 Ų28.85%0.04715%0.154CC..  trans-129.1134173.5-61.9-90.6000108.2K13 Y50 N75 V78 L83 A299K13-Y81 HydrophobicContact CB-CD1 3.91Å; K13-Y81 HydrophobicContact CB-CD2 3.75Å; K13-Y81 HydrophobicContact CB-CE1 3.89Å; K13-Y81 HydrophobicContact CB-CE2 3.75Å; K13-Y81 HydrophobicContact CB-CG 3.84Å; K13-Y81 HydrophobicContact CD-CD1 3.66Å; K13-Y81 HydrophobicContact CD-CE1 3.69Å; K13-Y81 HydrophobicContact CD-CG 4.34Å; K13-Y81 HydrophobicContact CG-CD1 4.32Å; K13-Y81 HydrophobicContact CG-CE1 4.11Å; Y50-Y81 AromaticContact CE2-CE1 3.84Å; Y50-Y81 HydrophobicContact CE2-CE1 3.84Å; Y50-Y81 AromaticContact CZ-CE1 3.78Å; Y50-Y81 WeakPolarHBondContact OH-CE1 3.47Å; N75-Y81 WeakPolarHBondContact CB-OH 3.45Å; N75-Y81 PolarHBondContact ND2-OH 3.16Å; V78-Y81 HydrophobicContact CB-CE2 4.44Å; V78-Y81 HydrophobicContact CG1-CD1 4.39Å; V78-Y81 HydrophobicContact CG1-CD2 4.44Å; V78-Y81 HydrophobicContact CG1-CE1 3.76Å; V78-Y81 HydrophobicContact CG1-CE2 3.81Å; V78-Y81 VanDerWaalsContact CG1-CZ 3.42Å; V78-Y81 WeakPolarHBondContact CG1-OH 3.48Å; Y81-L83 PolarHBondContact O-N 3.4Å; Y81-A299 HydrophobicContact CD1-CB 3.42Å; Y81-A299 VanDerWaalsContact CD1-CB 3.42Å; Y81-A299 HydrophobicContact CE1-CB 3.66Å; Y81-A299 HydrophobicContact CG-CB 4.24Å
82Q97.1Very high96.2Very high127 Ų12728.5 Ų28.559%0.59315%0.153SC*.  trans-76117.7178.6-175.3178.34.400109.7G197 T198 A199Q82-G197 CarbonylContact O-C 3.57Å; Q82-G197 WeakPolarHBondContact O-CA 3.42Å; Q82-T198 PolarHBondContact N-OG1 2.82Å; Q82-T198 PolarHBondContact O-N 3.34Å; Q82-A199 VanDerWaalsContact O-CB 3.27Å; Q82-A199 WeakPolarHBondContact O-CB 3.44Å; Q82-A199 PolarHBondContact O-N 2.94Å
83L96.9Very high96.2Very high56 Ų5629.9 Ų29.929%0.29316%0.159SC..BIsolated β-bridgetrans-71.7132.1173.9-165.467.7000110.7Y81 Y124 A199Y81-L83 PolarHBondContact O-N 3.4Å; L83-Y124 HydrophobicContact CD1-CD1 3.67Å; L83-Y124 HydrophobicContact CD1-CE1 3.63Å; L83-A199 HydrophobicContact CB-CB 4.45Å; L83-A199 HydrophobicContact CD1-CB 4.05Å
84G97.6Very high96.3Very high18 Ų1829.9 Ų29.919%0.18616%0.159CC..  trans-87.9-154.6171.300000112.8D195G84-D195 CarbonylContact C-O 3.32Å; G84-D195 WeakPolarHBondContact CA-O 3.42Å
85N97.8Very high96.3Very high60 Ų6031.4 Ų31.432%0.32117%0.171SC..SBendtrans-111.813.2170.372.4-4.4000112.4L88 K193 V194 D195N85-L88 WeakPolarHBondContact O-CD2 3.47Å; N85-K193 PolarHBondContact ND2-O 2.98Å; N85-V194 WeakPolarHBondContact OD1-CA 3.32Å; N85-D195 PolarHBondContact N-O 2.86Å; N85-D195 PolarHBondContact OD1-N 3.49Å; N85-D195 PolarHBondContact OD1-O 3.27Å
86D98.5Very high96.5Very high3 Ų336.1 Ų36.12%0.01619%0.193CC..SBendtrans-78.4-47.1-175.167.8-34.2000112.4L144 G145 V194 D195 H196 F200 H252D86-L144 CarbonylContact O-C 3.59Å; D86-L144 WeakPolarHBondContact O-CA 3.43Å; D86-G145 PolarHBondContact O-N 3.5Å; D86-V194 HydrophobicContact CB-CG1 3.59Å; D86-D195 PolarHBondContact N-O 3.49Å; D86-H196 WeakPolarHBondContact CB-ND1 3.19Å; D86-H196 IonicContact OD2-CE1 2.76Å; D86-H196 IonicContact OD2-CG 2.81Å; D86-H196 IonicContact OD2-ND1 3.12Å; D86-H196 PolarHBondContact OD2-ND1 2.93Å; D86-F200 WeakPolarHBondContact OD2-CB 3.31Å; D86-H252 PolarHBondContact O-CE1 3.28Å
87F98.7Very high96.8Very high7 Ų733.4 Ų33.43%0.03118%0.182CC..EExtended strand (participates in β ladder)trans-92.3111.6174.8178.4-97000111.1F10 F12 G89 L90 Y124 P125 V142 L144F10-F87 HydrophobicContact CD1-CD2 4.24Å; F10-F87 HydrophobicContact CD1-CE2 4.01Å; F10-F87 AromaticContact CE1-CD2 3.56Å; F10-F87 HydrophobicContact CE1-CD2 3.56Å; F10-F87 AromaticContact CE1-CE2 3.8Å; F10-F87 HydrophobicContact CE1-CE2 3.8Å; F10-F87 HydrophobicContact CE1-CG 4.27Å; F10-F87 HydrophobicContact CE2-CD2 4.04Å; F10-F87 HydrophobicContact CE2-CE2 4.41Å; F10-F87 HydrophobicContact CG-CE2 4.37Å; F10-F87 HydrophobicContact CZ-CB 4.48Å; F10-F87 AromaticContact CZ-CD2 3.44Å; F10-F87 HydrophobicContact CZ-CD2 3.44Å; F10-F87 VanDerWaalsContact CZ-CD2 3.44Å; F10-F87 HydrophobicContact CZ-CE2 4.02Å; F10-F87 HydrophobicContact CZ-CG 4.26Å; F12-F87 HydrophobicContact CE1-CD1 4.43Å; F12-F87 HydrophobicContact CE1-CD2 4.5Å; F12-F87 AromaticContact CE1-CE1 3.82Å; F12-F87 HydrophobicContact CE1-CE1 3.82Å; F12-F87 AromaticContact CE1-CE2 3.87Å; F12-F87 HydrophobicContact CE1-CE2 3.87Å; F12-F87 AromaticContact CE1-CZ 3.49Å; F12-F87 HydrophobicContact CE1-CZ 3.49Å; F12-F87 VanDerWaalsContact CE1-CZ 3.49Å; F12-F87 HydrophobicContact CZ-CE1 4.42Å; F12-F87 AromaticContact CZ-CE2 3.99Å; F12-F87 HydrophobicContact CZ-CE2 3.99Å; F12-F87 AromaticContact CZ-CZ 3.69Å; F12-F87 HydrophobicContact CZ-CZ 3.69Å; F87-G89 VanDerWaalsContact CZ-C 3.42Å; F87-L90 HydrophobicContact CZ-CB 4.02Å; F87-Y124 HydrophobicContact CD1-CD1 4.05Å; F87-Y124 HydrophobicContact CE1-CD1 4.34Å; F87-P125 HydrophobicContact CD1-CG 4.31Å; F87-P125 HydrophobicContact CE1-CG 4.24Å; F87-V142 HydrophobicContact CD2-CG1 4.27Å; F87-V142 HydrophobicContact CE2-CG1 3.93Å; F87-L144 HydrophobicContact CD2-CD2 4.21Å
88L98.6Very high97.2Very high36 Ų3632.7 Ų32.719%0.18818%0.175CC..EExtended strand (participates in β ladder)trans-98.6-12.7-175.5-60.9-179.6000113.6N85 P125 Y127 C143 R188N85-L88 WeakPolarHBondContact O-CD2 3.47Å; L88-P125 WeakPolarHBondContact O-CG 3.44Å; L88-Y127 WeakPolarHBondContact O-CE2 3.36Å; L88-C143 HydrophobicContact CB-CB 4.02Å; L88-C143 PolarHBondContact N-O 2.81Å; L88-R188 HydrophobicContact CD1-CB 3.68Å; L88-R188 HydrophobicContact CD1-CG 4.18Å
89G98.7Very high97.6Very high0 Ų034.9 Ų34.90%019%0.19CC..EExtended strand (participates in β ladder)trans145.3166.7162.300000115.6F87 P125 C143F87-G89 VanDerWaalsContact CZ-C 3.42Å; G89-P125 WeakPolarHBondContact CA-O 3.23Å; G89-C143 PolarHBondContact N-O 2.79Å; G89-C143 PolarHBondContact O-N 3.38Å
90L98.9Very high98Very high2 Ų234.4 Ų34.41%0.0118%0.182CC..EExtended strand (participates in β ladder)trans-108.8128.3171.4-174.3158.5000108.9F12 F68 F87 L92 P125 F126 Y127 V139 K141 V142F12-L90 HydrophobicContact CZ-CD1 4.38Å; F68-L90 HydrophobicContact CE1-CD1 4.31Å; F87-L90 HydrophobicContact CZ-CB 4.02Å; L90-L92 HydrophobicContact CD2-CB 4.28Å; L90-L92 HydrophobicContact CD2-CD2 4.16Å; L90-P125 PolarHBondContact N-O 3Å; L90-P125 VanDerWaalsContact N-O 3.11Å; L90-F126 HydrophobicContact CB-CD1 4.08Å; L90-F126 HydrophobicContact CB-CE1 3.89Å; L90-F126 HydrophobicContact CB-CZ 4.23Å; L90-F126 HydrophobicContact CD1-CE1 3.98Å; L90-F126 HydrophobicContact CD1-CZ 4.31Å; L90-F126 HydrophobicContact CD2-CD1 3.89Å; L90-F126 HydrophobicContact CD2-CE1 3.73Å; L90-F126 HydrophobicContact CG-CD1 4.47Å; L90-F126 HydrophobicContact CG-CE1 4.08Å; L90-F126 CarbonylContact O-C 3.57Å; L90-F126 WeakPolarHBondContact O-CA 3.49Å; L90-Y127 PolarHBondContact O-N 3.47Å; L90-V139 HydrophobicContact CD1-CG1 4.37Å; L90-V139 HydrophobicContact CD2-CG1 3.85Å; L90-V139 HydrophobicContact CD2-CG2 4.46Å; L90-V139 HydrophobicContact CG-CG1 4.15Å; L90-K141 WeakPolarHBondContact CA-O 3.35Å; L90-V142 HydrophobicContact CD1-CG2 4.43Å; L90-V142 HydrophobicContact CG-CG2 4.47Å
91T98.9Very high98.3Very high13 Ų1328.3 Ų28.38%0.0815%0.153CC..EExtended strand (participates in β ladder)trans-103132.1177.9-52.20000110.6Y127 I129 Q140 K141T91-Y127 CarbonylContact C-O 3.59Å; T91-Y127 VanDerWaalsContact CA-O 3.29Å; T91-Y127 WeakPolarHBondContact CA-O 3.33Å; T91-I129 HydrophobicContact CG2-CD1 3.83Å; T91-I129 HydrophobicContact CG2-CG1 4.01Å; T91-Q140 HydrophobicContact CG2-CB 4.36Å; T91-Q140 PolarHBondContact O-N 2.97Å; T91-K141 PolarHBondContact N-O 2.88Å; T91-K141 PolarHBondContact O-N 3.4Å; T91-K141 WeakPolarHBondContact OG1-CE 3.19Å
92L98.8Very high98.4Very high0 Ų033.3 Ų33.30%018%0.175CC..EExtended strand (participates in β ladder)trans-137.3157.8175.266.789.4000111.5L28 M30 F61 L90 A97 F126 Y127 I128 I129 P138L28-L92 HydrophobicContact CD1-CD2 4.09Å; L28-L92 HydrophobicContact CD2-CD2 4.11Å; M30-L92 HydrophobicContact CE-CD2 4.3Å; F61-L92 HydrophobicContact CE2-CD2 4.25Å; F61-L92 HydrophobicContact CZ-CD1 4.31Å; F61-L92 HydrophobicContact CZ-CD2 4.36Å; L90-L92 HydrophobicContact CD2-CB 4.28Å; L90-L92 HydrophobicContact CD2-CD2 4.16Å; L92-A97 HydrophobicContact CD1-CB 4.49Å; L92-F126 HydrophobicContact CD2-CD1 4.12Å; L92-Y127 PolarHBondContact N-O 3.45Å; L92-I128 HydrophobicContact CD1-CB 4.47Å; L92-I128 HydrophobicContact CD1-CG1 4.2Å; L92-I128 HydrophobicContact CD1-CG2 3.93Å; L92-I128 HydrophobicContact CG-CG1 4.43Å; L92-I128 CarbonylContact O-C 3.57Å; L92-I128 WeakPolarHBondContact O-CA 3.5Å; L92-I129 PolarHBondContact O-N 2.97Å; L92-P138 CarbonylContact C-O 3.58Å; L92-P138 VanDerWaalsContact CA-O 3.3Å; L92-P138 WeakPolarHBondContact CA-O 3.48Å
93Q98.7Very high98.5Very high41 Ų4135.2 Ų35.219%0.19218%0.177CC..EExtended strand (participates in β ladder)trans-106.2109.7176.9-178.4174.2-59.200111.4I129 K131 Q132 Q133 P138Q93-I129 HydrophobicContact CB-CB 4.29Å; Q93-I129 HydrophobicContact CG-CB 4.34Å; Q93-I129 HydrophobicContact CG-CG2 4.39Å; Q93-K131 HydrophobicContact CG-CB 3.84Å; Q93-Q132 PolarHBondContact NE2-O 2.98Å; Q93-Q133 WeakPolarHBondContact O-CG 3.49Å; Q93-P138 PolarHBondContact N-O 3.33Å; Q93-P138 WeakPolarHBondContact O-CB 3.46Å
94S98.7Very high98.6Very high0 Ų036.1 Ų36.10%018%0.182CC..  trans-164.6104.7176.4-178.50000113.3Q96 A97 V98 I128 I129 K131 Q133S94-Q96 PolarHBondContact O-N 3.43Å; S94-Q96 PolarHBondContact OG-N 2.96Å; S94-A97 PolarHBondContact O-N 2.91Å; S94-A97 VanDerWaalsContact O-N 3.16Å; S94-A97 WeakPolarHBondContact OG-CB 3.23Å; S94-A97 PolarHBondContact OG-N 3Å; S94-V98 PolarHBondContact O-N 2.87Å; S94-I128 VanDerWaalsContact O-CG2 3.27Å; S94-I128 WeakPolarHBondContact O-CG2 3.28Å; S94-I129 PolarHBondContact N-O 3.42Å; S94-K131 CarbonylContact C-O 3.49Å; S94-K131 WeakPolarHBondContact CA-O 3.33Å; S94-Q133 WeakPolarHBondContact OG-CG 3.27Å; S94-Q133 PolarHBondContact OG-NE2 3.16Å
95S98.5Very high98.6Very high39 Ų3938.2 Ų38.227%0.27320%0.204SC..Hα-helixtrans-64.1-27.1169.260.20000112.5V98 S99 D130 K131S95-V98 PolarHBondContact O-N 2.8Å; S95-S99 WeakPolarHBondContact O-CB 3.38Å; S95-S99 PolarHBondContact O-N 3.15Å; S95-S99 PolarHBondContact O-OG 2.92Å; S95-D130 WeakPolarHBondContact CA-OD1 3.49Å; S95-D130 WeakPolarHBondContact CB-OD1 3.3Å; S95-K131 PolarHBondContact N-O 3.49Å
96Q98.6Very high98.6Very high103 Ų10338 Ų3848%0.48120%0.198SC..Hα-helixtrans-65.8-40.6173.3-173.760.257.300111.2S94 S99 N100S94-Q96 PolarHBondContact O-N 3.43Å; S94-Q96 PolarHBondContact OG-N 2.96Å; Q96-S99 PolarHBondContact O-N 2.86Å; Q96-N100 PolarHBondContact NE2-OD1 2.89Å; Q96-N100 WeakPolarHBondContact O-CB 3.42Å; Q96-N100 PolarHBondContact O-N 2.81Å; Q96-N100 PolarHBondContact O-ND2 2.83Å
97A98.8Very high98.6Very high0 Ų042.4 Ų42.40%023%0.227CC..Hα-helixtrans-65.8-40.4177.800000111.7V27 L28 L92 S94 S99 N100 A101 I128V27-A97 WeakPolarHBondContact O-CA 3.34Å; L28-A97 HydrophobicContact CD2-CB 4.39Å; L92-A97 HydrophobicContact CD1-CB 4.49Å; S94-A97 PolarHBondContact O-N 2.91Å; S94-A97 VanDerWaalsContact O-N 3.16Å; S94-A97 WeakPolarHBondContact OG-CB 3.23Å; S94-A97 PolarHBondContact OG-N 3Å; A97-S99 PolarHBondContact O-N 2.92Å; A97-N100 PolarHBondContact O-N 2.88Å; A97-A101 WeakPolarHBondContact O-CB 3.46Å; A97-A101 PolarHBondContact O-N 2.89Å; A97-I128 HydrophobicContact CB-CD1 4.05Å; A97-I128 HydrophobicContact CB-CG2 4.2Å
98V98.8Very high98.6Very high0 Ų044 Ų440%024%0.236CC..Hα-helixtrans-60-46.4172.3178.80000111S94 S95 A101 K102 L108 Y116 I128 D130S94-V98 PolarHBondContact O-N 2.87Å; S95-V98 PolarHBondContact O-N 2.8Å; V98-A101 PolarHBondContact O-N 3Å; V98-K102 HydrophobicContact CG1-CD 4.16Å; V98-K102 WeakPolarHBondContact O-CG 3.31Å; V98-K102 PolarHBondContact O-N 2.89Å; V98-L108 HydrophobicContact CG1-CD1 4.08Å; V98-Y116 HydrophobicContact CG1-CD2 4Å; V98-Y116 HydrophobicContact CG1-CE2 3.87Å; V98-Y116 HydrophobicContact CG1-CG 4.49Å; V98-Y116 HydrophobicContact CG2-CD2 3.9Å; V98-Y116 HydrophobicContact CG2-CE2 4.37Å; V98-I128 HydrophobicContact CG2-CB 4.09Å; V98-I128 HydrophobicContact CG2-CG2 3.47Å; V98-I128 VanDerWaalsContact CG2-CG2 3.47Å; V98-D130 HydrophobicContact CG2-CB 3.94Å
99S98.7Very high98.6Very high61 Ų6146.4 Ų46.443%0.42725%0.253SS..Hα-helixtrans-63.9-41.3179.3-60.10000112.1S95 Q96 A97 K102 R103S95-S99 WeakPolarHBondContact O-CB 3.38Å; S95-S99 PolarHBondContact O-N 3.15Å; S95-S99 PolarHBondContact O-OG 2.92Å; Q96-S99 PolarHBondContact O-N 2.86Å; A97-S99 PolarHBondContact O-N 2.92Å; S99-K102 PolarHBondContact O-N 2.83Å; S99-R103 WeakPolarHBondContact O-CB 3.43Å; S99-R103 PolarHBondContact O-N 3.22Å
100N98.8Very high98.6Very high16 Ų1652 Ų529%0.08628%0.278CS..Hα-helixtrans-63.2-49176-76.1-14.6000111.9D26 V27 Q96 A97 K102 R103 L104D26-N100 WeakPolarHBondContact O-CB 3.32Å; D26-N100 PolarHBondContact O-ND2 3.32Å; V27-N100 VanDerWaalsContact O-CB 3.22Å; V27-N100 WeakPolarHBondContact O-CB 3.4Å; V27-N100 PolarHBondContact O-ND2 3.23Å; Q96-N100 PolarHBondContact NE2-OD1 2.89Å; Q96-N100 WeakPolarHBondContact O-CB 3.42Å; Q96-N100 PolarHBondContact O-N 2.81Å; Q96-N100 PolarHBondContact O-ND2 2.83Å; A97-N100 PolarHBondContact O-N 2.88Å; N100-K102 PolarHBondContact O-N 2.94Å; N100-R103 PolarHBondContact O-N 3.01Å; N100-L104 WeakPolarHBondContact O-CB 3.33Å; N100-L104 VanDerWaalsContact O-CG 3.32Å; N100-L104 WeakPolarHBondContact O-CG 3.47Å; N100-L104 PolarHBondContact O-N 3.11Å
101A98.7Very high98.5Very high0 Ų055 Ų550%030%0.297CS..Hα-helixtrans-55.5-49.6176.100000111.3V27 A97 V98 R103 L104 G105 W106 L108V27-A101 HydrophobicContact CG1-CB 3.74Å; A97-A101 WeakPolarHBondContact O-CB 3.46Å; A97-A101 PolarHBondContact O-N 2.89Å; V98-A101 PolarHBondContact O-N 3Å; A101-R103 PolarHBondContact O-N 2.89Å; A101-L104 PolarHBondContact O-N 2.81Å; A101-G105 PolarHBondContact O-N 3.36Å; A101-W106 HydrophobicContact CB-CB 4.08Å; A101-W106 PolarHBondContact O-N 2.97Å; A101-L108 HydrophobicContact CB-CD1 3.42Å; A101-L108 VanDerWaalsContact CB-CD1 3.42Å; A101-L108 HydrophobicContact CB-CD2 4.14Å; A101-L108 HydrophobicContact CB-CG 3.73Å
102K98.5Very high98.4Very high117 Ų11759.2 Ų59.251%0.50932%0.316SS..Hα-helixtrans-57.4-45.8176.2-72.3173.3-179.7170.30112V98 S99 N100 L104 G105 L108 Y116V98-K102 HydrophobicContact CG1-CD 4.16Å; V98-K102 WeakPolarHBondContact O-CG 3.31Å; V98-K102 PolarHBondContact O-N 2.89Å; S99-K102 PolarHBondContact O-N 2.83Å; N100-K102 PolarHBondContact O-N 2.94Å; K102-L104 PolarHBondContact O-N 2.98Å; K102-G105 PolarHBondContact O-N 3.02Å; K102-L108 HydrophobicContact CG-CD1 3.96Å; K102-Y116 PolarHBondContact NZ-OH 2.99Å
103R98.6Very high98.2Very high168 Ų16868 Ų6863%0.63436%0.357SS*.Hα-helixtrans-64.3-38.2179.2179.5179.559.4792.1112.7S99 N100 A101 G105S99-R103 WeakPolarHBondContact O-CB 3.43Å; S99-R103 PolarHBondContact O-N 3.22Å; N100-R103 PolarHBondContact O-N 3.01Å; A101-R103 PolarHBondContact O-N 2.89Å; R103-G105 VanDerWaalsContact C-N 3.32Å
104L98.3Very high98.1Very high74 Ų7467.6 Ų67.639%0.38736%0.36SS..Hα-helixtrans-85.2-5.2-179.1-66.9170.8000112.9D26 V27 N100 A101 K102 W106D26-L104 HydrophobicContact CB-CD1 3.79Å; V27-L104 HydrophobicContact CG2-CD1 3.82Å; N100-L104 WeakPolarHBondContact O-CB 3.33Å; N100-L104 VanDerWaalsContact O-CG 3.32Å; N100-L104 WeakPolarHBondContact O-CG 3.47Å; N100-L104 PolarHBondContact O-N 3.11Å; A101-L104 PolarHBondContact O-N 2.81Å; K102-L104 PolarHBondContact O-N 2.98Å; L104-W106 PolarHBondContact O-N 3.37Å
105G98.3Very high98.1Very high63 Ų6368.5 Ų68.565%0.64937%0.366SS*.THydrogen-bonded Turntrans67.721.9-173.100000113.3A101 K102 R103A101-G105 PolarHBondContact O-N 3.36Å; K102-G105 PolarHBondContact O-N 3.02Å; R103-G105 VanDerWaalsContact C-N 3.32Å
106W98.6Very high98.1Very high54 Ų5468.2 Ų68.221%0.20536%0.359CS..  trans-72.1131.9175.2-159.1-77.2000109.7T22 F23 V27 A101 L104 L108 T118 Q119 P121T22-W106 HydrophobicContact CG2-CZ3 4.15Å; F23-W106 HydrophobicContact CB-CH2 3.61Å; F23-W106 HydrophobicContact CB-CZ2 3.76Å; F23-W106 HydrophobicContact CB-CZ3 4.26Å; F23-W106 HydrophobicContact CD2-CD2 4.22Å; F23-W106 AromaticContact CD2-CE2 3.48Å; F23-W106 VanDerWaalsContact CD2-CE2 3.48Å; F23-W106 HydrophobicContact CD2-CH2 4.12Å; F23-W106 AromaticContact CD2-CZ2 3.43Å; F23-W106 HydrophobicContact CD2-CZ2 3.43Å; F23-W106 VanDerWaalsContact CD2-CZ2 3.43Å; F23-W106 AromaticContact CD2-NE1 3.65Å; F23-W106 HydrophobicContact CE2-CZ2 4.37Å; F23-W106 AromaticContact CE2-NE1 3.84Å; F23-W106 HydrophobicContact CG-CH2 4.28Å; F23-W106 AromaticContact CG-CZ2 3.92Å; F23-W106 HydrophobicContact CG-CZ2 3.92Å; V27-W106 HydrophobicContact CG1-CB 4.38Å; V27-W106 HydrophobicContact CG1-CG 4.27Å; V27-W106 HydrophobicContact CG2-CB 3.96Å; V27-W106 HydrophobicContact CG2-CD2 3.65Å; V27-W106 HydrophobicContact CG2-CE3 3.48Å; V27-W106 VanDerWaalsContact CG2-CE3 3.48Å; V27-W106 HydrophobicContact CG2-CG 3.85Å; V27-W106 HydrophobicContact CG2-CZ3 4.19Å; A101-W106 HydrophobicContact CB-CB 4.08Å; A101-W106 PolarHBondContact O-N 2.97Å; L104-W106 PolarHBondContact O-N 3.37Å; W106-L108 PolarHBondContact O-N 2.79Å; W106-T118 PolarHBondContact NE1-OG1 3.43Å; W106-Q119 PolarHBondContact NE1-O 3.02Å; W106-P121 HydrophobicContact CH2-CG 4.05Å; W106-P121 HydrophobicContact CZ2-CG 4.22Å
107P98.4Very high98.1Very high96 Ų9665.3 Ų65.362%0.62335%0.346SS*.  trans-55.6130.4-176.2-28.235.6000113.4T118P107-T118 WeakPolarHBondContact O-CB 3.37Å; P107-T118 PolarHBondContact O-OG1 3.41Å; P107-T118 VanDerWaalsContact O-OG1 3.12Å
108L97.8Very high98.1Very high41 Ų4165.4 Ų65.422%0.21535%0.347CS..  trans-134.8131.3173-76.9172.8000109.7V98 A101 K102 W106 Y116 L117 T118 I128V98-L108 HydrophobicContact CG1-CD1 4.08Å; A101-L108 HydrophobicContact CB-CD1 3.42Å; A101-L108 VanDerWaalsContact CB-CD1 3.42Å; A101-L108 HydrophobicContact CB-CD2 4.14Å; A101-L108 HydrophobicContact CB-CG 3.73Å; K102-L108 HydrophobicContact CG-CD1 3.96Å; W106-L108 PolarHBondContact O-N 2.79Å; L108-Y116 HydrophobicContact CB-CD1 4.18Å; L108-Y116 HydrophobicContact CD2-CG 4.5Å; L108-L117 WeakPolarHBondContact CA-O 3.32Å; L108-T118 HydrophobicContact CD2-CG2 4.39Å; L108-I128 HydrophobicContact CD2-CD1 4.38Å
109T98.5Very high98.1Very high87 Ų8770.6 Ų70.653%0.53437%0.372SS..EExtended strand (participates in β ladder)trans-118.4121.1173.2-58.80000108.5V111 Y116 L117T109-V111 HydrophobicContact CG2-CG1 4.34Å; T109-V111 PolarHBondContact O-N 3.23Å; T109-Y116 CarbonylContact O-C 3.53Å; T109-Y116 WeakPolarHBondContact O-CA 3.38Å; T109-L117 PolarHBondContact N-O 2.94Å; T109-L117 PolarHBondContact O-N 3.06Å
110Q98.3Very high98.1Very high116 Ų11668 Ų6854%0.54235%0.353SS..EExtended strand (participates in β ladder)trans-70.6123.1172.6-171.2176.7100109.3E112 Y116Q110-E112 VanDerWaalsContact CG-O 3.28Å; Q110-E112 WeakPolarHBondContact CG-O 3.36Å; Q110-E112 PolarHBondContact NE2-O 3.3Å; Q110-Y116 HydrophobicContact CB-CD1 3.94Å; Q110-Y116 HydrophobicContact CB-CE1 3.87Å; Q110-Y116 HydrophobicContact CG-CD1 4.49Å; Q110-Y116 HydrophobicContact CG-CE1 4.3Å
111V97.8Very high98.1Very high66 Ų6668.4 Ų68.440%0.436%0.357SS..EExtended strand (participates in β ladder)trans-112.8-27.4-176-67.10000113.1T109 V115 L117 Y127T109-V111 HydrophobicContact CG2-CG1 4.34Å; T109-V111 PolarHBondContact O-N 3.23Å; V111-V115 HydrophobicContact CG2-CB 4.29Å; V111-V115 HydrophobicContact CG2-CG1 3.93Å; V111-V115 PolarHBondContact N-O 3.29Å; V111-L117 HydrophobicContact CG1-CB 3.67Å; V111-L117 HydrophobicContact CG1-CD2 4.31Å; V111-L117 HydrophobicContact CG2-CB 4.35Å; V111-Y127 HydrophobicContact CG2-CD1 4.04Å; V111-Y127 HydrophobicContact CG2-CE1 4.17Å
112E95.6Very high97.9Very high102 Ų10270.9 Ų70.948%0.47738%0.382SS..EExtended strand (participates in β ladder)trans-141.7176.7171.1-59.5-177.2166.500109Q110 A114 V115 K171Q110-E112 VanDerWaalsContact CG-O 3.28Å; Q110-E112 WeakPolarHBondContact CG-O 3.36Å; Q110-E112 PolarHBondContact NE2-O 3.3Å; E112-A114 PolarHBondContact O-N 3.16Å; E112-A114 VanDerWaalsContact O-N 3.17Å; E112-V115 HydrophobicContact CB-CB 4.01Å; E112-V115 HydrophobicContact CB-CG2 4.12Å; E112-V115 PolarHBondContact N-O 2.95Å; E112-V115 PolarHBondContact O-N 3.02Å; E112-V115 VanDerWaalsContact O-N 3.16Å; E112-K171 IonicContact OE1-NZ 2.95Å; E112-K171 PolarHBondContact OE1-NZ 2.83Å
113E95.6Very high97.9Very high184 Ų18466.3 Ų66.386%0.8637%0.369SS*.THydrogen-bonded Turntrans-59.1121.2172.6-172.8178.1176.900110.1V115E113-V115 PolarHBondContact O-N 3.44Å; E113-V115 VanDerWaalsContact O-N 3.16Å
114A96.5Very high97.9Very high32 Ų3258.6 Ų58.626%0.26434%0.34SS..THydrogen-bonded Turntrans56.123.9-17600000115.1E112 I129 D130E112-A114 PolarHBondContact O-N 3.16Å; E112-A114 VanDerWaalsContact O-N 3.17Å; A114-I129 CarbonylContact O-C 3.54Å; A114-I129 WeakPolarHBondContact O-CA 3.37Å; A114-D130 HydrophobicContact CB-CB 4.35Å; A114-D130 PolarHBondContact O-N 3.31Å
115V98.6Very high97.9Very high19 Ų1955.9 Ų55.912%0.11533%0.326CS..EExtended strand (participates in β ladder)trans-123.8124.3172.5-173.70000110.1V111 E112 E113 Y127 I128 I129V111-V115 HydrophobicContact CG2-CB 4.29Å; V111-V115 HydrophobicContact CG2-CG1 3.93Å; V111-V115 PolarHBondContact N-O 3.29Å; E112-V115 HydrophobicContact CB-CB 4.01Å; E112-V115 HydrophobicContact CB-CG2 4.12Å; E112-V115 PolarHBondContact N-O 2.95Å; E112-V115 PolarHBondContact O-N 3.02Å; E112-V115 VanDerWaalsContact O-N 3.16Å; E113-V115 PolarHBondContact O-N 3.44Å; E113-V115 VanDerWaalsContact O-N 3.16Å; V115-Y127 HydrophobicContact CG1-CD1 4.28Å; V115-I128 WeakPolarHBondContact CA-O 3.41Å; V115-I129 HydrophobicContact CG2-CG1 4.38Å
116Y98.8Very high97.9Very high34 Ų3452.9 Ų52.913%0.13330%0.296CS..EExtended strand (participates in β ladder)trans-113.1133.3176.8-63.5-96.9000111V98 K102 L108 T109 Q110 Y127 I128 D130V98-Y116 HydrophobicContact CG1-CD2 4Å; V98-Y116 HydrophobicContact CG1-CE2 3.87Å; V98-Y116 HydrophobicContact CG1-CG 4.49Å; V98-Y116 HydrophobicContact CG2-CD2 3.9Å; V98-Y116 HydrophobicContact CG2-CE2 4.37Å; K102-Y116 PolarHBondContact NZ-OH 2.99Å; L108-Y116 HydrophobicContact CB-CD1 4.18Å; L108-Y116 HydrophobicContact CD2-CG 4.5Å; T109-Y116 CarbonylContact O-C 3.53Å; T109-Y116 WeakPolarHBondContact O-CA 3.38Å; Q110-Y116 HydrophobicContact CB-CD1 3.94Å; Q110-Y116 HydrophobicContact CB-CE1 3.87Å; Q110-Y116 HydrophobicContact CG-CD1 4.49Å; Q110-Y116 HydrophobicContact CG-CE1 4.3Å; Y116-Y127 CarbonylContact O-C 3.56Å; Y116-Y127 WeakPolarHBondContact O-CA 3.34Å; Y116-I128 PolarHBondContact N-O 2.89Å; Y116-I128 PolarHBondContact O-N 2.93Å; Y116-D130 HydrophobicContact CD2-CB 4.05Å; Y116-D130 HydrophobicContact CE2-CB 3.77Å; Y116-D130 WeakPolarHBondContact CE2-OD2 3.37Å
117L98.8Very high97.9Very high41 Ų4152.9 Ų52.922%0.21530%0.296CS..EExtended strand (participates in β ladder)trans-86.1129.7166.4174.463.5000109.4L108 T109 V111 P125 F126 Y127L108-L117 WeakPolarHBondContact CA-O 3.32Å; T109-L117 PolarHBondContact N-O 2.94Å; T109-L117 PolarHBondContact O-N 3.06Å; V111-L117 HydrophobicContact CG1-CB 3.67Å; V111-L117 HydrophobicContact CG1-CD2 4.31Å; V111-L117 HydrophobicContact CG2-CB 4.35Å; L117-P125 HydrophobicContact CD1-CB 3.78Å; L117-F126 WeakPolarHBondContact CA-O 3.32Å; L117-Y127 HydrophobicContact CB-CD1 4.44Å; L117-Y127 HydrophobicContact CB-CE1 4.36Å; L117-Y127 HydrophobicContact CD1-CD1 4.31Å; L117-Y127 HydrophobicContact CD1-CE1 3.95Å; L117-Y127 HydrophobicContact CD1-CE2 4.42Å
118T98.8Very high98Very high3 Ų348.3 Ų48.32%0.01827%0.266CS..EExtended strand (participates in β ladder)trans-128.6166.3163.4-178.40000108.8F23 W106 P107 L108 F126 I128F23-T118 HydrophobicContact CE2-CG2 3.9Å; F23-T118 HydrophobicContact CZ-CG2 4.1Å; W106-T118 PolarHBondContact NE1-OG1 3.43Å; P107-T118 WeakPolarHBondContact O-CB 3.37Å; P107-T118 PolarHBondContact O-OG1 3.41Å; P107-T118 VanDerWaalsContact O-OG1 3.12Å; L108-T118 HydrophobicContact CD2-CG2 4.39Å; T118-F126 HydrophobicContact CG2-CB 3.78Å; T118-F126 PolarHBondContact N-O 3.45Å; T118-F126 PolarHBondContact O-N 3.2Å; T118-I128 HydrophobicContact CG2-CD1 3.76Å; T118-I128 HydrophobicContact CG2-CG1 4.25Å
119Q98.6Very high98Very high109 Ų10948 Ų4851%0.50927%0.265SS..EExtended strand (participates in β ladder)trans-119.5136.5173-67.3176.9-54.200110.3W106 G123 Y124W106-Q119 PolarHBondContact NE1-O 3.02Å; Q119-G123 PolarHBondContact NE2-O 3.1Å; Q119-Y124 CarbonylContact C-O 3.44Å; Q119-Y124 VanDerWaalsContact CA-O 3.28Å; Q119-Y124 WeakPolarHBondContact CA-O 3.38Å
120A98.6Very high98Very high5 Ų546.2 Ų46.24%0.04125%0.252CS..  trans-71160.6162.500000109.4F23 G122 G123 Y124 F126F23-A120 HydrophobicContact CD1-CB 3.53Å; F23-A120 HydrophobicContact CE1-CB 3.36Å; F23-A120 HydrophobicContact CG-CB 4.21Å; F23-A120 HydrophobicContact CZ-CB 3.91Å; A120-G122 PolarHBondContact O-N 3.05Å; A120-G123 PolarHBondContact O-N 3.1Å; A120-Y124 HydrophobicContact CB-CD2 4.5Å; A120-Y124 PolarHBondContact N-O 3.15Å; A120-F126 HydrophobicContact CB-CD2 4.09Å; A120-F126 HydrophobicContact CB-CE2 3.83Å
121P97.6Very high98Very high25 Ų2546.2 Ų46.216%0.16225%0.25CC..THydrogen-bonded Turntrans-53.9138.6169.9-25.837.7000111.2A19 F23 W106 Y124A19-P121 HydrophobicContact CB-CB 4.15Å; A19-P121 HydrophobicContact CB-CG 3.65Å; F23-P121 HydrophobicContact CB-CG 4.5Å; W106-P121 HydrophobicContact CH2-CG 4.05Å; W106-P121 HydrophobicContact CZ2-CG 4.22Å; P121-Y124 WeakPolarHBondContact O-CD2 3.47Å
122G95.4Very high98Very high52 Ų5250.9 Ų50.954%0.53627%0.267SS..THydrogen-bonded Turntrans90.8-4.2-167.900000114.3A120A120-G122 PolarHBondContact O-N 3.05Å
123G97.9Very high98.1Very high22 Ų2249.7 Ų49.723%0.22726%0.262CS..SBendtrans91.21.5172.300000115Q119 A120 P125Q119-G123 PolarHBondContact NE2-O 3.1Å; A120-G123 PolarHBondContact O-N 3.1Å; G123-P125 WeakPolarHBondContact O-CD 3.44Å
124Y98.8Very high98.1Very high5 Ų542.3 Ų42.32%0.0223%0.23CC..  trans-59.7120.2-178.5-58.1-75.3000111.6F12 K13 L83 F87 Q119 A120 P121 F126 A199F12-Y124 AromaticContact CD1-CD1 3.76Å; F12-Y124 HydrophobicContact CD1-CD1 3.76Å; F12-Y124 HydrophobicContact CD1-CD2 4.19Å; F12-Y124 AromaticContact CD1-CE1 3.96Å; F12-Y124 HydrophobicContact CD1-CE1 3.96Å; F12-Y124 HydrophobicContact CD1-CE2 4.36Å; F12-Y124 AromaticContact CD1-CG 3.88Å; F12-Y124 HydrophobicContact CD1-CG 3.88Å; F12-Y124 HydrophobicContact CE1-CD1 4.07Å; F12-Y124 HydrophobicContact CE1-CG 4.19Å; K13-Y124 PolarHBondContact N-OH 3.26Å; K13-Y124 WeakPolarHBondContact O-CE2 3.34Å; K13-Y124 PolarHBondContact O-OH 3.34Å; L83-Y124 HydrophobicContact CD1-CD1 3.67Å; L83-Y124 HydrophobicContact CD1-CE1 3.63Å; F87-Y124 HydrophobicContact CD1-CD1 4.05Å; F87-Y124 HydrophobicContact CE1-CD1 4.34Å; Q119-Y124 CarbonylContact C-O 3.44Å; Q119-Y124 VanDerWaalsContact CA-O 3.28Å; Q119-Y124 WeakPolarHBondContact CA-O 3.38Å; A120-Y124 HydrophobicContact CB-CD2 4.5Å; A120-Y124 PolarHBondContact N-O 3.15Å; P121-Y124 WeakPolarHBondContact O-CD2 3.47Å; Y124-F126 WeakPolarHBondContact O-CD2 3.33Å; Y124-A199 HydrophobicContact CE1-CB 4.21Å; Y124-A199 WeakPolarHBondContact OH-CB 3.22Å; Y124-A199 PolarHBondContact OH-O 3.2Å
125P98.7Very high98Very high17 Ų1747.1 Ų47.111%0.1126%0.261CS..EExtended strand (participates in β ladder)trans-72.2133.7-178.924.8-31.4000112.6F87 L88 G89 L90 L117 G123 Y127F87-P125 HydrophobicContact CD1-CG 4.31Å; F87-P125 HydrophobicContact CE1-CG 4.24Å; L88-P125 WeakPolarHBondContact O-CG 3.44Å; G89-P125 WeakPolarHBondContact CA-O 3.23Å; L90-P125 PolarHBondContact N-O 3Å; L90-P125 VanDerWaalsContact N-O 3.11Å; L117-P125 HydrophobicContact CD1-CB 3.78Å; G123-P125 WeakPolarHBondContact O-CD 3.44Å; P125-Y127 HydrophobicContact CB-CE2 4.29Å
126F98.9Very high97.8Very high0 Ų051.5 Ų51.50%028%0.28CS..EExtended strand (participates in β ladder)trans-124.4128.6171.8-83.1-107000109.5F12 F23 Y24 L28 L90 L92 L117 T118 A120 Y124F12-F126 HydrophobicContact CE2-CZ 4.4Å; F12-F126 HydrophobicContact CZ-CE2 4.4Å; F12-F126 HydrophobicContact CZ-CZ 4.07Å; F23-F126 HydrophobicContact CE1-CD1 4.36Å; F23-F126 AromaticContact CE1-CD2 3.95Å; F23-F126 HydrophobicContact CE1-CD2 3.95Å; F23-F126 HydrophobicContact CE1-CE1 4.35Å; F23-F126 AromaticContact CE1-CE2 3.98Å; F23-F126 HydrophobicContact CE1-CE2 3.98Å; F23-F126 HydrophobicContact CE1-CG 4.17Å; F23-F126 HydrophobicContact CE1-CZ 4.19Å; F23-F126 HydrophobicContact CZ-CB 4.17Å; F23-F126 HydrophobicContact CZ-CD1 4.3Å; F23-F126 AromaticContact CZ-CD2 3.89Å; F23-F126 HydrophobicContact CZ-CD2 3.89Å; F23-F126 HydrophobicContact CZ-CE2 4.39Å; F23-F126 AromaticContact CZ-CG 3.87Å; F23-F126 HydrophobicContact CZ-CG 3.87Å; Y24-F126 HydrophobicContact CE1-CE1 4.29Å; Y24-F126 AromaticContact CE1-CZ 3.92Å; Y24-F126 HydrophobicContact CE1-CZ 3.92Å; Y24-F126 AromaticContact CZ-CZ 3.9Å; Y24-F126 WeakPolarHBondContact OH-CZ 3.4Å; L28-F126 HydrophobicContact CD1-CD1 4Å; L28-F126 HydrophobicContact CD1-CE1 3.93Å; L90-F126 HydrophobicContact CB-CD1 4.08Å; L90-F126 HydrophobicContact CB-CE1 3.89Å; L90-F126 HydrophobicContact CB-CZ 4.23Å; L90-F126 HydrophobicContact CD1-CE1 3.98Å; L90-F126 HydrophobicContact CD1-CZ 4.31Å; L90-F126 HydrophobicContact CD2-CD1 3.89Å; L90-F126 HydrophobicContact CD2-CE1 3.73Å; L90-F126 HydrophobicContact CG-CD1 4.47Å; L90-F126 HydrophobicContact CG-CE1 4.08Å; L90-F126 CarbonylContact O-C 3.57Å; L90-F126 WeakPolarHBondContact O-CA 3.49Å; L92-F126 HydrophobicContact CD2-CD1 4.12Å; L117-F126 WeakPolarHBondContact CA-O 3.32Å; T118-F126 HydrophobicContact CG2-CB 3.78Å; T118-F126 PolarHBondContact N-O 3.45Å; T118-F126 PolarHBondContact O-N 3.2Å; A120-F126 HydrophobicContact CB-CD2 4.09Å; A120-F126 HydrophobicContact CB-CE2 3.83Å; Y124-F126 WeakPolarHBondContact O-CD2 3.33Å
127Y98.9Very high97.7Very high55 Ų5550.5 Ų50.522%0.21628%0.278CS..EExtended strand (participates in β ladder)trans-104.3119.1176.2-61.7-90.7000109.4L88 L90 T91 L92 V111 V115 Y116 L117 P125L88-Y127 WeakPolarHBondContact O-CE2 3.36Å; L90-Y127 PolarHBondContact O-N 3.47Å; T91-Y127 CarbonylContact C-O 3.59Å; T91-Y127 VanDerWaalsContact CA-O 3.29Å; T91-Y127 WeakPolarHBondContact CA-O 3.33Å; L92-Y127 PolarHBondContact N-O 3.45Å; V111-Y127 HydrophobicContact CG2-CD1 4.04Å; V111-Y127 HydrophobicContact CG2-CE1 4.17Å; V115-Y127 HydrophobicContact CG1-CD1 4.28Å; Y116-Y127 CarbonylContact O-C 3.56Å; Y116-Y127 WeakPolarHBondContact O-CA 3.34Å; L117-Y127 HydrophobicContact CB-CD1 4.44Å; L117-Y127 HydrophobicContact CB-CE1 4.36Å; L117-Y127 HydrophobicContact CD1-CD1 4.31Å; L117-Y127 HydrophobicContact CD1-CE1 3.95Å; L117-Y127 HydrophobicContact CD1-CE2 4.42Å; P125-Y127 HydrophobicContact CB-CE2 4.29Å
128I98.9Very high97.7Very high0 Ų048.8 Ų48.80%027%0.269CS..EExtended strand (participates in β ladder)trans-106.4113.3-179.3-52.2174.9000108.4L28 L92 S94 A97 V98 L108 V115 Y116 T118 D130L28-I128 HydrophobicContact CD2-CD1 4Å; L92-I128 HydrophobicContact CD1-CB 4.47Å; L92-I128 HydrophobicContact CD1-CG1 4.2Å; L92-I128 HydrophobicContact CD1-CG2 3.93Å; L92-I128 HydrophobicContact CG-CG1 4.43Å; L92-I128 CarbonylContact O-C 3.57Å; L92-I128 WeakPolarHBondContact O-CA 3.5Å; S94-I128 VanDerWaalsContact O-CG2 3.27Å; S94-I128 WeakPolarHBondContact O-CG2 3.28Å; A97-I128 HydrophobicContact CB-CD1 4.05Å; A97-I128 HydrophobicContact CB-CG2 4.2Å; V98-I128 HydrophobicContact CG2-CB 4.09Å; V98-I128 HydrophobicContact CG2-CG2 3.47Å; V98-I128 VanDerWaalsContact CG2-CG2 3.47Å; L108-I128 HydrophobicContact CD2-CD1 4.38Å; V115-I128 WeakPolarHBondContact CA-O 3.41Å; Y116-I128 PolarHBondContact N-O 2.89Å; Y116-I128 PolarHBondContact O-N 2.93Å; T118-I128 HydrophobicContact CG2-CD1 3.76Å; T118-I128 HydrophobicContact CG2-CG1 4.25Å; I128-D130 PolarHBondContact O-N 2.89Å
129I98.8Very high97.7Very high35 Ų3548.9 Ų48.918%0.17927%0.269CS..EExtended strand (participates in β ladder)trans-75.8114.7168.8-55.5170.7000107.2T91 L92 Q93 S94 A114 V115 K131 Q140T91-I129 HydrophobicContact CG2-CD1 3.83Å; T91-I129 HydrophobicContact CG2-CG1 4.01Å; L92-I129 PolarHBondContact O-N 2.97Å; Q93-I129 HydrophobicContact CB-CB 4.29Å; Q93-I129 HydrophobicContact CG-CB 4.34Å; Q93-I129 HydrophobicContact CG-CG2 4.39Å; S94-I129 PolarHBondContact N-O 3.42Å; A114-I129 CarbonylContact O-C 3.54Å; A114-I129 WeakPolarHBondContact O-CA 3.37Å; V115-I129 HydrophobicContact CG2-CG1 4.38Å; I129-K131 HydrophobicContact CG2-CB 4.37Å; I129-K131 HydrophobicContact CG2-CD 3.91Å; I129-K131 HydrophobicContact CG2-CG 3.98Å; I129-K131 PolarHBondContact O-N 3.44Å; I129-Q140 HydrophobicContact CD1-CG 4.35Å
130D98.6Very high97.7Very high48 Ų4846.6 Ų46.626%0.25726%0.259SS..  trans-76.967.3-177.5-166.37.8000111.1S95 V98 A114 Y116 I128S95-D130 WeakPolarHBondContact CA-OD1 3.49Å; S95-D130 WeakPolarHBondContact CB-OD1 3.3Å; V98-D130 HydrophobicContact CG2-CB 3.94Å; A114-D130 HydrophobicContact CB-CB 4.35Å; A114-D130 PolarHBondContact O-N 3.31Å; Y116-D130 HydrophobicContact CD2-CB 4.05Å; Y116-D130 HydrophobicContact CE2-CB 3.77Å; Y116-D130 WeakPolarHBondContact CE2-OD2 3.37Å; I128-D130 PolarHBondContact O-N 2.89Å
131K98.4Very high97.7Very high117 Ų11748.8 Ų48.851%0.50927%0.267SS..SBendtrans-133.5158.3173.9-66.3178.4-177.3176.50109Q93 S94 S95 I129 Q133Q93-K131 HydrophobicContact CG-CB 3.84Å; S94-K131 CarbonylContact C-O 3.49Å; S94-K131 WeakPolarHBondContact CA-O 3.33Å; S95-K131 PolarHBondContact N-O 3.49Å; I129-K131 HydrophobicContact CG2-CB 4.37Å; I129-K131 HydrophobicContact CG2-CD 3.91Å; I129-K131 HydrophobicContact CG2-CG 3.98Å; I129-K131 PolarHBondContact O-N 3.44Å; K131-Q133 PolarHBondContact O-N 2.84Å
132Q97.9Very high97.8Very high164 Ų16447.6 Ų47.677%0.76626%0.259SS*.PPolyproline II helixtrans-52.8136.6175.9-172.51722000110.5Q93Q93-Q132 PolarHBondContact NE2-O 2.98Å
133Q96.4Very high97.9Very high76 Ų7645.2 Ų45.236%0.35523%0.234SC..PPolyproline II helixtrans-56134.2176.2-75.5-179.1-23.600110.1Q93 S94 K131 P138Q93-Q133 WeakPolarHBondContact O-CG 3.49Å; S94-Q133 WeakPolarHBondContact OG-CG 3.27Å; S94-Q133 PolarHBondContact OG-NE2 3.16Å; K131-Q133 PolarHBondContact O-N 2.84Å; Q133-P138 HydrophobicContact CG-CG 4.39Å
134P95.6Very high98Very high29 Ų2944.3 Ų44.319%0.18822%0.224CC..PPolyproline II helixtrans-67.9167.2174.927.7-30.9000111.4H136P134-H136 VanDerWaalsContact CB-CE1 3.45Å; P134-H136 WeakPolarHBondContact CB-CE1 3.1Å; P134-H136 PolarHBondContact O-N 3.17Å
135S94.3Very high98Very high133 Ų13344 Ų4493%0.9322%0.224SC*.SBendtrans-76.80.6173.865.80000113.9
136H94.6Very high98Very high111 Ų11143.2 Ų43.251%0.51422%0.218SC..SBendtrans-122.1-174.317657.2-95.2000108.5P134 P138P134-H136 VanDerWaalsContact CB-CE1 3.45Å; P134-H136 WeakPolarHBondContact CB-CE1 3.1Å; P134-H136 PolarHBondContact O-N 3.17Å; H136-P138 VanDerWaalsContact O-CD 3.25Å; H136-P138 WeakPolarHBondContact O-CD 3.34Å; H136-P138 VanDerWaalsContact O-N 3.15Å
137D97.9Very high98Very high14 Ų1445.8 Ų45.88%0.07524%0.236CC..  trans-50.8119.7-179.5-173.46.6000112.6H67 F68 V139H67-D137 IonicContact CD2-OD1 2.83Å; F68-D137 WeakPolarHBondContact CB-OD2 3.38Å; F68-D137 PolarHBondContact N-OD2 2.85Å; D137-V139 PolarHBondContact O-N 2.89Å; D137-V139 PolarHBondContact OD1-N 3.2Å
138P98.4Very high97.9Very high5 Ų546.6 Ų46.63%0.03224%0.244CC..  trans-67.5-19.9175.5-22.535.3000114.1F61 L92 Q93 Q133 H136 Q140F61-P138 HydrophobicContact CB-CG 3.97Å; F61-P138 HydrophobicContact CD1-CG 4.11Å; F61-P138 HydrophobicContact CD2-CB 3.8Å; F61-P138 HydrophobicContact CD2-CG 3.67Å; F61-P138 HydrophobicContact CE2-CB 3.87Å; F61-P138 HydrophobicContact CE2-CG 4.16Å; F61-P138 HydrophobicContact CG-CB 4.27Å; F61-P138 HydrophobicContact CG-CG 3.64Å; F61-P138 HydrophobicContact CZ-CB 4.41Å; L92-P138 CarbonylContact C-O 3.58Å; L92-P138 VanDerWaalsContact CA-O 3.3Å; L92-P138 WeakPolarHBondContact CA-O 3.48Å; Q93-P138 PolarHBondContact N-O 3.33Å; Q93-P138 WeakPolarHBondContact O-CB 3.46Å; Q133-P138 HydrophobicContact CG-CG 4.39Å; H136-P138 VanDerWaalsContact O-CD 3.25Å; H136-P138 WeakPolarHBondContact O-CD 3.34Å; H136-P138 VanDerWaalsContact O-N 3.15Å; P138-Q140 PolarHBondContact O-N 3.5Å; P138-Q140 PolarHBondContact O-NE2 2.76Å
139V98.8Very high97.8Very high5 Ų548 Ų483%0.0325%0.252CS..EExtended strand (participates in β ladder)trans-72.4123.9179.3-176.80000110.2M30 F61 F68 L90 D137 C183M30-V139 HydrophobicContact CE-CG2 4.32Å; F61-V139 HydrophobicContact CD2-CG2 4.07Å; F61-V139 HydrophobicContact CE2-CG2 4.17Å; F68-V139 HydrophobicContact CB-CB 4.37Å; F68-V139 HydrophobicContact CB-CG1 4.33Å; F68-V139 HydrophobicContact CD1-CG1 3.78Å; F68-V139 HydrophobicContact CG-CG1 4.37Å; L90-V139 HydrophobicContact CD1-CG1 4.37Å; L90-V139 HydrophobicContact CD2-CG1 3.85Å; L90-V139 HydrophobicContact CD2-CG2 4.46Å; L90-V139 HydrophobicContact CG-CG1 4.15Å; D137-V139 PolarHBondContact O-N 2.89Å; D137-V139 PolarHBondContact OD1-N 3.2Å; V139-C183 HydrophobicContact CG1-CB 4.47Å
140Q98.6Very high97.8Very high60 Ų6054.1 Ų54.128%0.2828%0.279SS..EExtended strand (participates in β ladder)trans-98.1-50.2-172.3-58-59.6-64.400112T91 I129 P138 K184T91-Q140 HydrophobicContact CG2-CB 4.36Å; T91-Q140 PolarHBondContact O-N 2.97Å; I129-Q140 HydrophobicContact CD1-CG 4.35Å; P138-Q140 PolarHBondContact O-N 3.5Å; P138-Q140 PolarHBondContact O-NE2 2.76Å; Q140-K184 PolarHBondContact O-N 2.79Å
141K98.8Very high97.7Very high51 Ų5158 Ų5822%0.22229%0.29CS..EExtended strand (participates in β ladder)trans-160.1155.6-173.861.4-179.7-178.3-177.50113.5L90 T91 L175 K184 E186L90-K141 WeakPolarHBondContact CA-O 3.35Å; T91-K141 PolarHBondContact N-O 2.88Å; T91-K141 PolarHBondContact O-N 3.4Å; T91-K141 WeakPolarHBondContact OG1-CE 3.19Å; K141-L175 HydrophobicContact CD-CD1 4.12Å; K141-K184 CarbonylContact C-O 3.53Å; K141-K184 WeakPolarHBondContact CA-O 3.47Å; K141-K184 HydrophobicContact CB-CB 4Å; K141-K184 WeakPolarHBondContact CB-O 3.44Å; K141-E186 HydrophobicContact CD-CB 4.09Å; K141-E186 IonicContact NZ-OE1 2.68Å; K141-E186 PolarHBondContact NZ-OE1 2.87Å; K141-E186 IonicContact NZ-OE2 3.5Å; K141-E186 PolarHBondContact NZ-OE2 3.44Å
142V98.9Very high97.7Very high0 Ų052.4 Ų52.40%027%0.266CS..EExtended strand (participates in β ladder)trans-105.7134.5161.2172.50000108.6F10 F68 F87 L90 L144 K184 E186 I203F10-V142 HydrophobicContact CB-CG2 4.36Å; F10-V142 HydrophobicContact CD2-CG1 3.91Å; F10-V142 HydrophobicContact CD2-CG2 4.48Å; F10-V142 HydrophobicContact CE2-CG1 4.13Å; F68-V142 HydrophobicContact CE1-CG2 3.69Å; F68-V142 HydrophobicContact CZ-CG2 3.61Å; F87-V142 HydrophobicContact CD2-CG1 4.27Å; F87-V142 HydrophobicContact CE2-CG1 3.93Å; L90-V142 HydrophobicContact CD1-CG2 4.43Å; L90-V142 HydrophobicContact CG-CG2 4.47Å; V142-L144 HydrophobicContact CG1-CD2 3.99Å; V142-L144 HydrophobicContact CG1-CG 4.23Å; V142-K184 PolarHBondContact N-O 2.71Å; V142-E186 PolarHBondContact O-N 2.68Å; V142-I203 HydrophobicContact CB-CD1 4.44Å
143C98.9Very high97.8Very high2 Ų245.4 Ų45.41%0.01423%0.234CC..EExtended strand (participates in β ladder)trans-107.5122177.6-168.90000110.2L88 G89 E186L88-C143 HydrophobicContact CB-CB 4.02Å; L88-C143 PolarHBondContact N-O 2.81Å; G89-C143 PolarHBondContact N-O 2.79Å; G89-C143 PolarHBondContact O-N 3.38Å; C143-E186 CarbonylContact C-O 3.56Å; C143-E186 VanDerWaalsContact CA-O 3.26Å; C143-E186 WeakPolarHBondContact CA-O 3.45Å; C143-E186 HydrophobicContact CB-CB 4.28Å; C143-E186 PolarHBondContact SG-OE2 2.93Å
144L98.9Very high97.9Very high3 Ų348 Ų482%0.01624%0.241CC..EExtended strand (participates in β ladder)trans-115.4137176.9-60.5-176.6000110.7F10 D86 F87 V142 L185 E186 L187 R188 H252F10-L144 HydrophobicContact CE2-CD2 4.02Å; F10-L144 HydrophobicContact CZ-CD2 4.38Å; D86-L144 CarbonylContact O-C 3.59Å; D86-L144 WeakPolarHBondContact O-CA 3.43Å; F87-L144 HydrophobicContact CD2-CD2 4.21Å; V142-L144 HydrophobicContact CG1-CD2 3.99Å; V142-L144 HydrophobicContact CG1-CG 4.23Å; L144-L185 HydrophobicContact CB-CD1 4.39Å; L144-L185 HydrophobicContact CD1-CD1 3.78Å; L144-L185 HydrophobicContact CG-CD1 3.85Å; L144-E186 PolarHBondContact N-O 2.83Å; L144-L187 HydrophobicContact CB-CD2 4.44Å; L144-L187 WeakPolarHBondContact O-CA 3.14Å; L144-R188 PolarHBondContact O-N 2.94Å; L144-H252 HydrophobicContact CD1-CB 4.2Å
145G98.6Very high98Very high0 Ų046.7 Ų46.70%023%0.232CC..EExtended strand (participates in β ladder)trans-75.7132.1173.600000111.1D86 R188 T190 V194 H252D86-G145 PolarHBondContact O-N 3.5Å; G145-R188 CarbonylContact C-O 3.55Å; G145-R188 WeakPolarHBondContact CA-O 3.17Å; G145-T190 VanDerWaalsContact CA-CG2 3.43Å; G145-V194 WeakPolarHBondContact O-CG2 3.36Å; G145-H252 PolarHBondContact O-CE1 3.04Å; G145-H252 PolarHBondContact O-NE2 3.17Å
146V98.8Very high98.2Very high0 Ų040.4 Ų40.40%019%0.188CC..EExtended strand (participates in β ladder)trans-126.6154.7176.8-64.70000110.6L149 L187 R188 D189 T190 D250V146-L149 HydrophobicContact CG2-CD2 3.64Å; V146-L149 HydrophobicContact CG2-CG 4.06Å; V146-L187 HydrophobicContact CG1-CB 4.25Å; V146-L187 HydrophobicContact CG1-CD2 3.94Å; V146-L187 HydrophobicContact CG1-CG 4.47Å; V146-L187 HydrophobicContact CG2-CB 4.12Å; V146-R188 PolarHBondContact N-O 2.95Å; V146-D189 WeakPolarHBondContact O-CA 3.35Å; V146-T190 PolarHBondContact O-N 3.48Å; V146-T190 PolarHBondContact O-OG1 3.45Å; V146-D250 WeakPolarHBondContact CA-OD2 3.44Å; V146-D250 WeakPolarHBondContact CB-OD2 3.37Å; V146-D250 WeakPolarHBondContact CG1-OD2 3.07Å
147S98.1Very high98.4Very high54 Ų5436.2 Ų36.238%0.37817%0.173SC..SBendtrans-91-21.1176.965.70000113.5G192 D250S147-G192 WeakPolarHBondContact CA-O 3.06Å; S147-G192 WeakPolarHBondContact CB-O 3.48Å; S147-D250 WeakPolarHBondContact CB-OD1 3.47Å; S147-D250 PolarHBondContact N-OD1 2.91Å; S147-D250 PolarHBondContact N-OD2 2.89Å; S147-D250 PolarHBondContact OG-OD1 2.79Å
148D97.9Very high98.3Very high71 Ų7140.1 Ų40.138%0.3820%0.197SC..  trans-144.4100.7177.7-178.3-28.7000109.9Q150 R151 S152D148-Q150 PolarHBondContact O-N 3.25Å; D148-Q150 WeakPolarHBondContact OD1-CA 3.44Å; D148-Q150 WeakPolarHBondContact OD1-CB 3.46Å; D148-Q150 PolarHBondContact OD1-N 3.28Å; D148-R151 HydrophobicContact CB-CB 3.93Å; D148-R151 PolarHBondContact O-N 3.32Å; D148-R151 PolarHBondContact OD1-N 2.86Å; D148-S152 WeakPolarHBondContact O-CB 3.49Å; D148-S152 PolarHBondContact O-N 2.78Å; D148-S152 PolarHBondContact O-OG 3.46Å; D148-S152 VanDerWaalsContact O-OG 3.11Å
149L97.6Very high98.3Very high30 Ų3040.4 Ų40.416%0.15720%0.199CC..Hα-helixtrans-57.2-35.1179.6-81.8171.4000113.2V146 T153 N172 V174 L187 D189V146-L149 HydrophobicContact CG2-CD2 3.64Å; V146-L149 HydrophobicContact CG2-CG 4.06Å; L149-T153 WeakPolarHBondContact O-CB 3.48Å; L149-T153 PolarHBondContact O-N 2.87Å; L149-T153 PolarHBondContact O-OG1 3.22Å; L149-N172 HydrophobicContact CD1-CB 4.12Å; L149-N172 WeakPolarHBondContact CD1-O 3.36Å; L149-V174 HydrophobicContact CD2-CG2 4.19Å; L149-L187 HydrophobicContact CD2-CB 3.97Å; L149-D189 HydrophobicContact CD1-CB 3.79Å; L149-D189 HydrophobicContact CG-CB 3.92Å
150Q97.1Very high98.3Very high163 Ų16340.2 Ų40.276%0.76220%0.197SC*.Hα-helixtrans-71.5-46.5-177.3-175.4177.44.200110.4D148 R154D148-Q150 PolarHBondContact O-N 3.25Å; D148-Q150 WeakPolarHBondContact OD1-CA 3.44Å; D148-Q150 WeakPolarHBondContact OD1-CB 3.46Å; D148-Q150 PolarHBondContact OD1-N 3.28Å; Q150-R154 WeakPolarHBondContact O-CB 3.35Å; Q150-R154 PolarHBondContact O-N 3.12Å
151R97.7Very high98.2Very high129 Ų12939.5 Ų39.549%0.48721%0.207SC..Hα-helixtrans-61.9-48.1176.7-175178.4176.4-142.2-9111D148 R154 Y155 P249D148-R151 HydrophobicContact CB-CB 3.93Å; D148-R151 PolarHBondContact O-N 3.32Å; D148-R151 PolarHBondContact OD1-N 2.86Å; R151-R154 PolarHBondContact O-N 2.89Å; R151-Y155 PolarHBondContact O-N 3.11Å; R151-P249 HydrophobicContact CG-CB 4.04Å; R151-P249 HydrophobicContact CG-CG 4.21Å; R151-P249 PolarHBondContact NH1-O 2.82Å
152S98.6Very high98.2Very high0 Ų037.5 Ų37.50%020%0.198CC..Hα-helixtrans-68.7-39.9-178.4-54.40000111.3D148 R154 Y155 W156 D250D148-S152 WeakPolarHBondContact O-CB 3.49Å; D148-S152 PolarHBondContact O-N 2.78Å; D148-S152 PolarHBondContact O-OG 3.46Å; D148-S152 VanDerWaalsContact O-OG 3.11Å; S152-R154 VanDerWaalsContact C-N 3.34Å; S152-R154 PolarHBondContact O-N 3.37Å; S152-Y155 PolarHBondContact O-N 3.37Å; S152-W156 PolarHBondContact O-N 2.88Å; S152-D250 PolarHBondContact OG-OD2 2.66Å
153T98.6Very high98.2Very high17 Ų1741.5 Ų41.510%0.10422%0.222CC..Hα-helixtrans-59.5-43.5172.4-61.60000111.8L149 A157 V164 V174L149-T153 WeakPolarHBondContact O-CB 3.48Å; L149-T153 PolarHBondContact O-N 2.87Å; L149-T153 PolarHBondContact O-OG1 3.22Å; T153-A157 WeakPolarHBondContact O-CB 3.36Å; T153-A157 PolarHBondContact O-N 2.94Å; T153-V164 HydrophobicContact CG2-CG2 3.75Å; T153-V174 HydrophobicContact CG2-CG1 4.12Å
154R98.4Very high98.1Very high130 Ų13043.9 Ų43.949%0.49124%0.237SC..Hα-helixtrans-61.2-45.5176.8174-179.5139.784.75.4111Q150 R151 S152 T158 E222Q150-R154 WeakPolarHBondContact O-CB 3.35Å; Q150-R154 PolarHBondContact O-N 3.12Å; R151-R154 PolarHBondContact O-N 2.89Å; S152-R154 VanDerWaalsContact C-N 3.34Å; S152-R154 PolarHBondContact O-N 3.37Å; R154-T158 WeakPolarHBondContact O-CA 3.49Å; R154-T158 WeakPolarHBondContact O-CB 3.42Å; R154-T158 PolarHBondContact O-N 2.89Å; R154-T158 PolarHBondContact O-OG1 2.94Å; R154-E222 IonicContact NH2-OE2 2.91Å
155Y98.8Very high98.1Very high3 Ų346.5 Ų46.51%0.01225%0.25CC..Iπ-helixtrans-57.9-56.6178.4179.6-88.5000111.4R151 S152 A157 L159 L160 M219 E224 A247 D248 P249 I254R151-Y155 PolarHBondContact O-N 3.11Å; S152-Y155 PolarHBondContact O-N 3.37Å; Y155-A157 PolarHBondContact O-N 3.29Å; Y155-L159 HydrophobicContact CD2-CD1 3.87Å; Y155-L159 HydrophobicContact CE2-CD1 4.35Å; Y155-L159 VanDerWaalsContact O-CB 3.28Å; Y155-L159 WeakPolarHBondContact O-CB 3.39Å; Y155-L159 PolarHBondContact O-N 3.2Å; Y155-L160 HydrophobicContact CD1-CD1 4.08Å; Y155-L160 HydrophobicContact CD1-CG 4.45Å; Y155-L160 HydrophobicContact CE1-CD1 3.44Å; Y155-L160 VanDerWaalsContact CE1-CD1 3.44Å; Y155-L160 HydrophobicContact CE1-CG 4.01Å; Y155-L160 PolarHBondContact O-N 2.73Å; Y155-L160 VanDerWaalsContact O-N 3.15Å; Y155-M219 HydrophobicContact CE2-SD 4.06Å; Y155-E224 HydrophobicContact CD2-CG 4.08Å; Y155-E224 HydrophobicContact CE2-CB 4.03Å; Y155-E224 HydrophobicContact CE2-CG 3.82Å; Y155-A247 PolarHBondContact OH-O 3.07Å; Y155-D248 HydrophobicContact CD1-CB 4.02Å; Y155-D248 HydrophobicContact CE1-CB 3.7Å; Y155-P249 HydrophobicContact CD1-CG 4.5Å; Y155-P249 HydrophobicContact CD2-CG 3.86Å; Y155-P249 VanDerWaalsContact CG-CD 3.45Å; Y155-P249 HydrophobicContact CG-CG 3.76Å; Y155-I254 HydrophobicContact CE1-CD1 3.75Å
156W98.8Very high98.1Very high0 Ų051 Ų510%027%0.274CS..Iπ-helixtrans-66.9-40.2-176-75.2101.3000113.1S152 L160 G161 M162 L176 L185 L187 I203 F205 D248 I254S152-W156 PolarHBondContact O-N 2.88Å; W156-L160 HydrophobicContact CD2-CD1 4.17Å; W156-L160 HydrophobicContact CE3-CB 4.45Å; W156-L160 HydrophobicContact CE3-CD1 3.57Å; W156-L160 HydrophobicContact CH2-CD1 4.35Å; W156-L160 HydrophobicContact CZ3-CD1 3.67Å; W156-L160 CarbonylContact O-C 3.53Å; W156-L160 WeakPolarHBondContact O-CB 3.24Å; W156-G161 PolarHBondContact O-N 2.83Å; W156-M162 HydrophobicContact CB-SD 4.5Å; W156-M162 HydrophobicContact CE3-CE 3.69Å; W156-M162 HydrophobicContact CE3-SD 3.72Å; W156-M162 HydrophobicContact CZ3-CE 3.7Å; W156-M162 HydrophobicContact CZ3-SD 4.35Å; W156-M162 WeakPolarHBondContact O-CB 3.24Å; W156-M162 PolarHBondContact O-N 3.33Å; W156-L176 HydrophobicContact CB-CD1 4.33Å; W156-L176 HydrophobicContact CB-CD2 4.13Å; W156-L185 HydrophobicContact CD2-CD2 3.49Å; W156-L185 VanDerWaalsContact CD2-CD2 3.49Å; W156-L185 HydrophobicContact CE3-CD2 3.62Å; W156-L185 HydrophobicContact CG-CD2 4.09Å; W156-L185 HydrophobicContact CH2-CD2 3.81Å; W156-L185 HydrophobicContact CZ2-CD2 3.71Å; W156-L185 HydrophobicContact CZ3-CD2 3.79Å; W156-L187 HydrophobicContact CG-CD1 4.42Å; W156-I203 HydrophobicContact CH2-CG2 3.92Å; W156-F205 AromaticContact CH2-CE2 3.93Å; W156-F205 HydrophobicContact CH2-CE2 3.93Å; W156-F205 HydrophobicContact CH2-CZ 4.4Å; W156-F205 AromaticContact CZ3-CE2 3.62Å; W156-F205 HydrophobicContact CZ3-CE2 3.62Å; W156-F205 AromaticContact CZ3-CZ 3.95Å; W156-F205 HydrophobicContact CZ3-CZ 3.95Å; W156-D248 HydrophobicContact CZ2-CB 4.23Å; W156-D248 PolarHBondContact NE1-OD2 2.81Å; W156-I254 HydrophobicContact CH2-CB 4.49Å; W156-I254 HydrophobicContact CH2-CD1 3.27Å; W156-I254 HydrophobicContact CH2-CG1 3.57Å; W156-I254 HydrophobicContact CH2-CG2 4.13Å; W156-I254 HydrophobicContact CZ2-CD1 3.4Å; W156-I254 HydrophobicContact CZ2-CG1 3.86Å; W156-I254 HydrophobicContact CZ3-CD1 3.94Å; W156-I254 HydrophobicContact CZ3-CG2 4.46Å
157A98Very high98Very high24 Ų2457.5 Ų57.520%0.19830%0.302CS..Iπ-helixtrans-83.3-46.3-177.500000113.3T153 Y155 G161 M162 V164 L176T153-A157 WeakPolarHBondContact O-CB 3.36Å; T153-A157 PolarHBondContact O-N 2.94Å; Y155-A157 PolarHBondContact O-N 3.29Å; A157-G161 VanDerWaalsContact O-CA 3.27Å; A157-G161 WeakPolarHBondContact O-CA 3.46Å; A157-G161 PolarHBondContact O-N 3.49Å; A157-M162 VanDerWaalsContact CA-O 3.24Å; A157-M162 WeakPolarHBondContact CA-O 3.38Å; A157-M162 WeakPolarHBondContact CB-O 3.36Å; A157-V164 HydrophobicContact CB-CG2 3.96Å; A157-L176 HydrophobicContact CB-CD2 3.95Å
158T97.1Very high97.9Very high95 Ų9555.9 Ų55.958%0.58329%0.291SS*.Iπ-helixtrans-85-39-172.9-520000112.4R154R154-T158 WeakPolarHBondContact O-CA 3.49Å; R154-T158 WeakPolarHBondContact O-CB 3.42Å; R154-T158 PolarHBondContact O-N 2.89Å; R154-T158 PolarHBondContact O-OG1 2.94Å
159L97.8Very high97.6Very high12 Ų1261 Ų616%0.06331%0.313CS..Iπ-helixtrans-92.1-45.4-177-51-173.4000111.8Y155 L218 M219 E222 E224Y155-L159 HydrophobicContact CD2-CD1 3.87Å; Y155-L159 HydrophobicContact CE2-CD1 4.35Å; Y155-L159 VanDerWaalsContact O-CB 3.28Å; Y155-L159 WeakPolarHBondContact O-CB 3.39Å; Y155-L159 PolarHBondContact O-N 3.2Å; L159-L218 HydrophobicContact CB-CD2 4.39Å; L159-L218 VanDerWaalsContact O-CD2 3.3Å; L159-L218 WeakPolarHBondContact O-CD2 3.49Å; L159-M219 HydrophobicContact CB-CE 3.9Å; L159-E222 HydrophobicContact CD1-CB 4.22Å; L159-E222 HydrophobicContact CD1-CG 4.3Å; L159-E222 HydrophobicContact CD2-CG 3.85Å; L159-E224 HydrophobicContact CD1-CG 3.74Å
160L97.9Very high97.3Very high0 Ų065.9 Ų65.90%034%0.338CS..SBendtrans-91-3.1-179.8-60.6-175.6000113.9R5 Y155 W156 M162 Y178 M219 L246 I254 F256R5-L160 PolarHBondContact NH1-O 3.32Å; Y155-L160 HydrophobicContact CD1-CD1 4.08Å; Y155-L160 HydrophobicContact CD1-CG 4.45Å; Y155-L160 HydrophobicContact CE1-CD1 3.44Å; Y155-L160 VanDerWaalsContact CE1-CD1 3.44Å; Y155-L160 HydrophobicContact CE1-CG 4.01Å; Y155-L160 PolarHBondContact O-N 2.73Å; Y155-L160 VanDerWaalsContact O-N 3.15Å; W156-L160 HydrophobicContact CD2-CD1 4.17Å; W156-L160 HydrophobicContact CE3-CB 4.45Å; W156-L160 HydrophobicContact CE3-CD1 3.57Å; W156-L160 HydrophobicContact CH2-CD1 4.35Å; W156-L160 HydrophobicContact CZ3-CD1 3.67Å; W156-L160 CarbonylContact O-C 3.53Å; W156-L160 WeakPolarHBondContact O-CB 3.24Å; L160-M162 PolarHBondContact O-N 2.94Å; L160-Y178 WeakPolarHBondContact O-CE1 3.46Å; L160-Y178 PolarHBondContact O-OH 3.33Å; L160-M219 HydrophobicContact CD2-CE 3.39Å; L160-M219 HydrophobicContact CG-CE 4.22Å; L160-L246 HydrophobicContact CD2-CD1 4.05Å; L160-I254 HydrophobicContact CD1-CD1 3.74Å; L160-F256 HydrophobicContact CD1-CE2 4.17Å; L160-F256 HydrophobicContact CD2-CE2 3.76Å; L160-F256 HydrophobicContact CD2-CZ 4.18Å
161G97.1Very high97Very high46 Ų4663 Ų6347%0.47432%0.323SS..  trans73.620.3169.300000115.1W156 A157W156-G161 PolarHBondContact O-N 2.83Å; A157-G161 VanDerWaalsContact O-CA 3.27Å; A157-G161 WeakPolarHBondContact O-CA 3.46Å; A157-G161 PolarHBondContact O-N 3.49Å
162M98.3Very high96.9Very high8 Ų860.7 Ų60.74%0.03932%0.321CS..  trans-72.2147.6172.3-68.9-170.7171.700111.3W156 A157 L160 L176 Y178 L185 F205W156-M162 HydrophobicContact CB-SD 4.5Å; W156-M162 HydrophobicContact CE3-CE 3.69Å; W156-M162 HydrophobicContact CE3-SD 3.72Å; W156-M162 HydrophobicContact CZ3-CE 3.7Å; W156-M162 HydrophobicContact CZ3-SD 4.35Å; W156-M162 WeakPolarHBondContact O-CB 3.24Å; W156-M162 PolarHBondContact O-N 3.33Å; A157-M162 VanDerWaalsContact CA-O 3.24Å; A157-M162 WeakPolarHBondContact CA-O 3.38Å; A157-M162 WeakPolarHBondContact CB-O 3.36Å; L160-M162 PolarHBondContact O-N 2.94Å; M162-L176 HydrophobicContact CB-CB 4.03Å; M162-L176 HydrophobicContact CB-CD2 3.98Å; M162-L176 HydrophobicContact SD-CB 3.77Å; M162-Y178 HydrophobicContact CB-CE1 4.36Å; M162-Y178 HydrophobicContact CE-CD2 4.26Å; M162-Y178 HydrophobicContact CE-CE2 3.7Å; M162-Y178 HydrophobicContact CG-CD1 4.05Å; M162-Y178 HydrophobicContact CG-CE1 3.58Å; M162-Y178 HydrophobicContact CG-CE2 4.18Å; M162-L185 HydrophobicContact CE-CD2 4.37Å; M162-L185 HydrophobicContact SD-CB 4.33Å; M162-L185 HydrophobicContact SD-CD2 4.18Å; M162-F205 HydrophobicContact CE-CD1 4.29Å; M162-F205 HydrophobicContact CE-CE1 3.41Å; M162-F205 VanDerWaalsContact CE-CE1 3.41Å; M162-F205 HydrophobicContact CE-CE2 4.08Å; M162-F205 HydrophobicContact CE-CZ 3.29Å
163T98.1Very high96.9Very high84 Ų8461.1 Ų61.152%0.51532%0.324SS..EExtended strand (participates in β ladder)trans-84.7133.3170.3-600000109.1M165 L176 G177T163-M165 HydrophobicContact CG2-CG 4.43Å; T163-M165 PolarHBondContact O-N 2.53Å; T163-L176 VanDerWaalsContact O-CA 3.27Å; T163-L176 WeakPolarHBondContact O-CA 3.3Å; T163-G177 PolarHBondContact N-O 3.03Å; T163-G177 PolarHBondContact O-N 3.12Å
164V98.4Very high96.9Very high52 Ų5260.8 Ų60.832%0.31532%0.321SS..EExtended strand (participates in β ladder)trans-75.8113.3167.5179.90000108.2T153 A157 K167 V174 L176T153-V164 HydrophobicContact CG2-CG2 3.75Å; A157-V164 HydrophobicContact CB-CG2 3.96Å; V164-K167 HydrophobicContact CG1-CD 4.39Å; V164-K167 HydrophobicContact CG1-CG 3.95Å; V164-V174 HydrophobicContact CG1-CG1 3.79Å; V164-V174 HydrophobicContact CG2-CG1 4.44Å; V164-L176 HydrophobicContact CG2-CD2 3.77Å
165M98.1Very high96.9Very high58 Ų5856.3 Ų56.329%0.28631%0.307SS..EExtended strand (participates in β ladder)trans-97.5-34.5-172.6-67.1172.7170.300112.5T163 L175 K184T163-M165 HydrophobicContact CG2-CG 4.43Å; T163-M165 PolarHBondContact O-N 2.53Å; M165-L175 PolarHBondContact N-O 2.94Å; M165-K184 HydrophobicContact CE-CD 4.04Å; M165-K184 HydrophobicContact SD-CD 3.38Å; M165-K184 WeakPolarHBondContact SD-CD 3.21Å; M165-K184 WeakPolarHBondContact SD-CE 3.33Å; M165-K184 HydrophobicContact SD-CG 4.43Å
166D98.1Very high96.9Very high95 Ų9556.2 Ų56.251%0.50831%0.307SS..EExtended strand (participates in β ladder)trans-152.1158.4177.7-166.520.7000111.4L175D166-L175 HydrophobicContact CB-CB 3.93Å; D166-L175 HydrophobicContact CB-CD2 4.3Å; D166-L175 PolarHBondContact N-O 2.82Å; D166-L175 PolarHBondContact O-N 3.29Å
167K97.6Very high96.9Very high137 Ų13756.3 Ų56.360%0.59631%0.308SS*.EExtended strand (participates in β ladder)trans-142.1127.8174.1-60.3-171.9-179.6-178.50109.7V164 T173 V174V164-K167 HydrophobicContact CG1-CD 4.39Å; V164-K167 HydrophobicContact CG1-CG 3.95Å; K167-T173 WeakPolarHBondContact CA-O 3.49Å; K167-V174 HydrophobicContact CG-CG1 4.37Å; K167-V174 HydrophobicContact CG-CG2 4.18Å
168S96.1Very high96.9Very high19 Ų1956.9 Ų56.913%0.13331%0.305CS..EExtended strand (participates in β ladder)trans-116.6115.6174.7157.50000109.4D170 K171 N172 T173S168-D170 PolarHBondContact OG-OD1 3.16Å; S168-K171 WeakPolarHBondContact OG-CB 3.48Å; S168-K171 WeakPolarHBondContact OG-CG 3.33Å; S168-K171 PolarHBondContact OG-N 3.09Å; S168-N172 WeakPolarHBondContact O-CA 3.13Å; S168-N172 PolarHBondContact O-N 2.92Å; S168-N172 VanDerWaalsContact O-N 3.11Å; S168-T173 WeakPolarHBondContact CB-OG1 3.22Å; S168-T173 PolarHBondContact N-O 2.89Å; S168-T173 PolarHBondContact O-N 2.98Å
169Q91.3Very high96.8Very high180 Ų18054.1 Ų54.184%0.84129%0.289SS*.THydrogen-bonded Turntrans-75.4-31.9176.8-69.5-178.4-7.800111.8N172Q169-N172 PolarHBondContact O-OD1 2.86Å; Q169-N172 VanDerWaalsContact O-OD1 3.05Å
170D90.8Very high96.6Very high131 Ų13160.5 Ų60.570%0.70132%0.323SS*.THydrogen-bonded Turntrans-70.6-39178.758.6-50000112.3S168S168-D170 PolarHBondContact OG-OD1 3.16Å
171K90.8Very high96.4Very high102 Ų10265.2 Ų65.244%0.44336%0.357SS..THydrogen-bonded Turntrans-92.1-3.6176.9-55.6-173177.2-165.30113.1E112 S168 T173E112-K171 IonicContact OE1-NZ 2.95Å; E112-K171 PolarHBondContact OE1-NZ 2.83Å; S168-K171 WeakPolarHBondContact OG-CB 3.48Å; S168-K171 WeakPolarHBondContact OG-CG 3.33Å; S168-K171 PolarHBondContact OG-N 3.09Å; K171-T173 HydrophobicContact CB-CG2 4.03Å; K171-T173 WeakPolarHBondContact O-CG2 3.43Å
172N96.2Very high96.4Very high82 Ų8264.9 Ų64.944%0.43934%0.343SS..THydrogen-bonded Turntrans46.958.5-169.5-67.8-36.9000111.4L149 S168 Q169 R188 D189L149-N172 HydrophobicContact CD1-CB 4.12Å; L149-N172 WeakPolarHBondContact CD1-O 3.36Å; S168-N172 WeakPolarHBondContact O-CA 3.13Å; S168-N172 PolarHBondContact O-N 2.92Å; S168-N172 VanDerWaalsContact O-N 3.11Å; Q169-N172 PolarHBondContact O-OD1 2.86Å; Q169-N172 VanDerWaalsContact O-OD1 3.05Å; N172-R188 WeakPolarHBondContact O-CA 3.33Å; N172-D189 HydrophobicContact CB-CB 3.83Å; N172-D189 PolarHBondContact O-N 2.94Å
173T98.4Very high96.4Very high9 Ų964.9 Ų64.96%0.05534%0.344CS..EExtended strand (participates in β ladder)trans-129.1153.9178.7630000113.8K167 S168 K171 E186 L187 R188K167-T173 WeakPolarHBondContact CA-O 3.49Å; S168-T173 WeakPolarHBondContact CB-OG1 3.22Å; S168-T173 PolarHBondContact N-O 2.89Å; S168-T173 PolarHBondContact O-N 2.98Å; K171-T173 HydrophobicContact CB-CG2 4.03Å; K171-T173 WeakPolarHBondContact O-CG2 3.43Å; T173-E186 HydrophobicContact CG2-CG 4.07Å; T173-L187 CarbonylContact C-O 3.59Å; T173-L187 WeakPolarHBondContact CA-O 3.37Å; T173-L187 WeakPolarHBondContact CB-O 3.16Å; T173-R188 HydrophobicContact CG2-CB 3.84Å; T173-R188 HydrophobicContact CG2-CG 3.74Å
174V98.8Very high96.5Very high9 Ų962.2 Ų62.26%0.05533%0.325CS..EExtended strand (participates in β ladder)trans-129.4126.3168.31780000108.7L149 T153 V164 K167 L176 E186 L187L149-V174 HydrophobicContact CD2-CG2 4.19Å; T153-V174 HydrophobicContact CG2-CG1 4.12Å; V164-V174 HydrophobicContact CG1-CG1 3.79Å; V164-V174 HydrophobicContact CG2-CG1 4.44Å; K167-V174 HydrophobicContact CG-CG1 4.37Å; K167-V174 HydrophobicContact CG-CG2 4.18Å; V174-L176 HydrophobicContact CG1-CD1 3.97Å; V174-L176 HydrophobicContact CG1-CG 4.11Å; V174-E186 WeakPolarHBondContact O-CA 3.48Å; V174-L187 PolarHBondContact N-O 3Å; V174-L187 PolarHBondContact O-N 3.06Å
175L98.9Very high96.5Very high37 Ų3759.9 Ų59.919%0.19431%0.31CS..EExtended strand (participates in β ladder)trans-98128.6176.2-168.570.4000110K141 M165 D166 K184 E186K141-L175 HydrophobicContact CD-CD1 4.12Å; M165-L175 PolarHBondContact N-O 2.94Å; D166-L175 HydrophobicContact CB-CB 3.93Å; D166-L175 HydrophobicContact CB-CD2 4.3Å; D166-L175 PolarHBondContact N-O 2.82Å; D166-L175 PolarHBondContact O-N 3.29Å; L175-K184 HydrophobicContact CD1-CB 3.65Å; L175-K184 HydrophobicContact CD1-CG 4.37Å; L175-K184 HydrophobicContact CD2-CG 4.47Å; L175-K184 HydrophobicContact CG-CB 4.13Å; L175-K184 HydrophobicContact CG-CG 4.46Å; L175-E186 HydrophobicContact CD1-CB 3.93Å
176L98.8Very high96.5Very high0 Ų057.8 Ų57.80%030%0.3CS..EExtended strand (participates in β ladder)trans-126.9154-178.3-63.4121.9000111.3W156 A157 M162 T163 V164 V174 K184 L185 L187W156-L176 HydrophobicContact CB-CD1 4.33Å; W156-L176 HydrophobicContact CB-CD2 4.13Å; A157-L176 HydrophobicContact CB-CD2 3.95Å; M162-L176 HydrophobicContact CB-CB 4.03Å; M162-L176 HydrophobicContact CB-CD2 3.98Å; M162-L176 HydrophobicContact SD-CB 3.77Å; T163-L176 VanDerWaalsContact O-CA 3.27Å; T163-L176 WeakPolarHBondContact O-CA 3.3Å; V164-L176 HydrophobicContact CG2-CD2 3.77Å; V174-L176 HydrophobicContact CG1-CD1 3.97Å; V174-L176 HydrophobicContact CG1-CG 4.11Å; L176-K184 WeakPolarHBondContact O-CA 3.31Å; L176-K184 WeakPolarHBondContact O-CB 3.45Å; L176-L185 PolarHBondContact N-O 3.36Å; L176-L185 PolarHBondContact O-N 2.92Å; L176-L187 HydrophobicContact CD1-CD1 3.55Å; L176-L187 HydrophobicContact CD1-CG 3.72Å
177G98.1Very high96.6Very high2 Ų253.2 Ų53.22%0.02128%0.276CS..EExtended strand (participates in β ladder)trans-170.7168.7170.700000113.8T163T163-G177 PolarHBondContact N-O 3.03Å; T163-G177 PolarHBondContact O-N 3.12Å
178Y97.8Very high96.6Very high37 Ų3750.2 Ų50.215%0.14526%0.261CS..SBendtrans-88.3-28.8175-70.6-54.5000113.4R5 L160 M162 F205R5-Y178 HydrophobicContact CB-CD1 3.78Å; R5-Y178 HydrophobicContact CB-CD2 3.57Å; R5-Y178 HydrophobicContact CB-CE1 3.82Å; R5-Y178 HydrophobicContact CB-CE2 3.59Å; R5-Y178 HydrophobicContact CB-CG 3.67Å; R5-Y178 VanDerWaalsContact CD-CE1 3.43Å; R5-Y178 VanDerWaalsContact CD-OH 3.26Å; R5-Y178 WeakPolarHBondContact CD-OH 3.28Å; R5-Y178 HydrophobicContact CG-CE1 4.2Å; R5-Y178 HydrophobicContact CG-CE2 4.44Å; R5-Y178 PolarHBondContact NH1-OH 2.97Å; L160-Y178 WeakPolarHBondContact O-CE1 3.46Å; L160-Y178 PolarHBondContact O-OH 3.33Å; M162-Y178 HydrophobicContact CB-CE1 4.36Å; M162-Y178 HydrophobicContact CE-CD2 4.26Å; M162-Y178 HydrophobicContact CE-CE2 3.7Å; M162-Y178 HydrophobicContact CG-CD1 4.05Å; M162-Y178 HydrophobicContact CG-CE1 3.58Å; M162-Y178 HydrophobicContact CG-CE2 4.18Å; Y178-F205 AromaticContact CD2-CD1 3.98Å; Y178-F205 HydrophobicContact CD2-CD1 3.98Å; Y178-F205 HydrophobicContact CD2-CE1 4.31Å; Y178-F205 HydrophobicContact CE2-CB 4.48Å; Y178-F205 AromaticContact CE2-CD1 3.51Å; Y178-F205 HydrophobicContact CE2-CD1 3.51Å; Y178-F205 AromaticContact CE2-CE1 3.92Å; Y178-F205 HydrophobicContact CE2-CE1 3.92Å; Y178-F205 HydrophobicContact CE2-CG 4.04Å
179S95.6Very high96.7Very high36 Ų3652 Ų5225%0.25227%0.268SS..  trans-154.8162.7170.872.90000111.7S181 Q182 K184S179-S181 PolarHBondContact O-N 3.01Å; S179-S181 PolarHBondContact OG-OG 2.91Å; S179-S181 VanDerWaalsContact OG-OG 3.06Å; S179-Q182 PolarHBondContact O-N 2.75Å; S179-Q182 VanDerWaalsContact OG-CG 3.3Å; S179-Q182 WeakPolarHBondContact OG-CG 3.36Å; S179-Q182 PolarHBondContact OG-NE2 2.83Å; S179-K184 VanDerWaalsContact O-CE 3.28Å; S179-K184 WeakPolarHBondContact O-CE 3.37Å; S179-K184 PolarHBondContact O-NZ 3.38Å
180D94.3Very high96.9Very high146 Ų14645.5 Ų45.578%0.78124%0.241SC*.THydrogen-bonded Turntrans-62.1-26.4178.3-63.3-18.9000113K184D180-K184 PolarHBondContact O-NZ 2.91Å
181S93.9Very high97Very high100 Ų10042.8 Ų42.870%0.69924%0.244SC*.THydrogen-bonded Turntrans-87.6-11.6-17863.80000115.2S179S179-S181 PolarHBondContact O-N 3.01Å; S179-S181 PolarHBondContact OG-OG 2.91Å; S179-S181 VanDerWaalsContact OG-OG 3.06Å
182Q97.3Very high97.1Very high39 Ų3939.6 Ų39.618%0.18224%0.24CC..SBendtrans-94.2161.3-177.6-72178.645.100112.8R5 S179 K184R5-Q182 PolarHBondContact O-NE2 3.3Å; S179-Q182 PolarHBondContact O-N 2.75Å; S179-Q182 VanDerWaalsContact OG-CG 3.3Å; S179-Q182 WeakPolarHBondContact OG-CG 3.36Å; S179-Q182 PolarHBondContact OG-NE2 2.83Å; Q182-K184 PolarHBondContact O-N 3.35Å; Q182-K184 PolarHBondContact O-NZ 2.87Å
183C98.5Very high97.1Very high8 Ų844.4 Ų44.45%0.05426%0.257CS..PPolyproline II helixtrans-55136.5165.3178.50000110.8A7 F68 V139A7-C183 HydrophobicContact CB-CB 4.47Å; F68-C183 HydrophobicContact CB-CB 3.4Å; F68-C183 VanDerWaalsContact CB-CB 3.4Å; F68-C183 HydrophobicContact CD1-CB 4.21Å; F68-C183 HydrophobicContact CD2-CB 3.5Å; F68-C183 HydrophobicContact CE2-CB 4.28Å; F68-C183 HydrophobicContact CG-CB 3.43Å; F68-C183 VanDerWaalsContact CG-CB 3.43Å; V139-C183 HydrophobicContact CG1-CB 4.47Å
184K98.8Very high97.1Very high28 Ų2844.5 Ų44.512%0.12226%0.258CS..EExtended strand (participates in β ladder)trans-95.7160-177.7-52.4-59-171.9-85.80111.9Q140 K141 V142 M165 L175 L176 S179 D180 Q182Q140-K184 PolarHBondContact O-N 2.79Å; K141-K184 CarbonylContact C-O 3.53Å; K141-K184 WeakPolarHBondContact CA-O 3.47Å; K141-K184 HydrophobicContact CB-CB 4Å; K141-K184 WeakPolarHBondContact CB-O 3.44Å; V142-K184 PolarHBondContact N-O 2.71Å; M165-K184 HydrophobicContact CE-CD 4.04Å; M165-K184 HydrophobicContact SD-CD 3.38Å; M165-K184 WeakPolarHBondContact SD-CD 3.21Å; M165-K184 WeakPolarHBondContact SD-CE 3.33Å; M165-K184 HydrophobicContact SD-CG 4.43Å; L175-K184 HydrophobicContact CD1-CB 3.65Å; L175-K184 HydrophobicContact CD1-CG 4.37Å; L175-K184 HydrophobicContact CD2-CG 4.47Å; L175-K184 HydrophobicContact CG-CB 4.13Å; L175-K184 HydrophobicContact CG-CG 4.46Å; L176-K184 WeakPolarHBondContact O-CA 3.31Å; L176-K184 WeakPolarHBondContact O-CB 3.45Å; S179-K184 VanDerWaalsContact O-CE 3.28Å; S179-K184 WeakPolarHBondContact O-CE 3.37Å; S179-K184 PolarHBondContact O-NZ 3.38Å; D180-K184 PolarHBondContact O-NZ 2.91Å; Q182-K184 PolarHBondContact O-N 3.35Å; Q182-K184 PolarHBondContact O-NZ 2.87Å
185L98.9Very high97.1Very high2 Ų248.1 Ų48.11%0.0128%0.277CS..EExtended strand (participates in β ladder)trans-105.6118167.5176.361.9000108.7L144 W156 M162 L176 L187 I203L144-L185 HydrophobicContact CB-CD1 4.39Å; L144-L185 HydrophobicContact CD1-CD1 3.78Å; L144-L185 HydrophobicContact CG-CD1 3.85Å; W156-L185 HydrophobicContact CD2-CD2 3.49Å; W156-L185 VanDerWaalsContact CD2-CD2 3.49Å; W156-L185 HydrophobicContact CE3-CD2 3.62Å; W156-L185 HydrophobicContact CG-CD2 4.09Å; W156-L185 HydrophobicContact CH2-CD2 3.81Å; W156-L185 HydrophobicContact CZ2-CD2 3.71Å; W156-L185 HydrophobicContact CZ3-CD2 3.79Å; M162-L185 HydrophobicContact CE-CD2 4.37Å; M162-L185 HydrophobicContact SD-CB 4.33Å; M162-L185 HydrophobicContact SD-CD2 4.18Å; L176-L185 PolarHBondContact N-O 3.36Å; L176-L185 PolarHBondContact O-N 2.92Å; L185-L187 HydrophobicContact CD1-CD2 4.17Å; L185-L187 HydrophobicContact CD2-CD2 3.94Å; L185-L187 HydrophobicContact CG-CD2 3.92Å; L185-L187 HydrophobicContact CG-CG 4.49Å; L185-I203 HydrophobicContact CD1-CD1 4.48Å
186E98.9Very high97Very high14 Ų1448.3 Ų48.37%0.06528%0.277CS..EExtended strand (participates in β ladder)trans-97.3123.7167.7-178.2174.7-90.400108.9K141 V142 C143 L144 T173 V174 L175 R188K141-E186 HydrophobicContact CD-CB 4.09Å; K141-E186 IonicContact NZ-OE1 2.68Å; K141-E186 PolarHBondContact NZ-OE1 2.87Å; K141-E186 IonicContact NZ-OE2 3.5Å; K141-E186 PolarHBondContact NZ-OE2 3.44Å; V142-E186 PolarHBondContact O-N 2.68Å; C143-E186 CarbonylContact C-O 3.56Å; C143-E186 VanDerWaalsContact CA-O 3.26Å; C143-E186 WeakPolarHBondContact CA-O 3.45Å; C143-E186 HydrophobicContact CB-CB 4.28Å; C143-E186 PolarHBondContact SG-OE2 2.93Å; L144-E186 PolarHBondContact N-O 2.83Å; T173-E186 HydrophobicContact CG2-CG 4.07Å; V174-E186 WeakPolarHBondContact O-CA 3.48Å; L175-E186 HydrophobicContact CD1-CB 3.93Å; E186-R188 IonicContact OE2-CZ 3.78Å; E186-R188 IonicContact OE2-NE 3.86Å; E186-R188 IonicContact OE2-NH2 3.05Å; E186-R188 PolarHBondContact OE2-NH2 3.46Å
187L98.9Very high96.9Very high0 Ų049.2 Ų49.20%029%0.286CS..EExtended strand (participates in β ladder)trans-95.1133.2167.9-55.5-179.8000107.9L144 V146 L149 W156 T173 V174 L176 L185L144-L187 HydrophobicContact CB-CD2 4.44Å; L144-L187 WeakPolarHBondContact O-CA 3.14Å; V146-L187 HydrophobicContact CG1-CB 4.25Å; V146-L187 HydrophobicContact CG1-CD2 3.94Å; V146-L187 HydrophobicContact CG1-CG 4.47Å; V146-L187 HydrophobicContact CG2-CB 4.12Å; L149-L187 HydrophobicContact CD2-CB 3.97Å; W156-L187 HydrophobicContact CG-CD1 4.42Å; T173-L187 CarbonylContact C-O 3.59Å; T173-L187 WeakPolarHBondContact CA-O 3.37Å; T173-L187 WeakPolarHBondContact CB-O 3.16Å; V174-L187 PolarHBondContact N-O 3Å; V174-L187 PolarHBondContact O-N 3.06Å; L176-L187 HydrophobicContact CD1-CD1 3.55Å; L176-L187 HydrophobicContact CD1-CG 3.72Å; L185-L187 HydrophobicContact CD1-CD2 4.17Å; L185-L187 HydrophobicContact CD2-CD2 3.94Å; L185-L187 HydrophobicContact CG-CD2 3.92Å; L185-L187 HydrophobicContact CG-CG 4.49Å
188R98.6Very high96.8Very high74 Ų7450.7 Ų50.728%0.27930%0.295SS..EExtended strand (participates in β ladder)trans-126.5131.4175.7-173.8175.9-55.3169.94.2110.5L88 L144 G145 V146 N172 T173 E186 T190L88-R188 HydrophobicContact CD1-CB 3.68Å; L88-R188 HydrophobicContact CD1-CG 4.18Å; L144-R188 PolarHBondContact O-N 2.94Å; G145-R188 CarbonylContact C-O 3.55Å; G145-R188 WeakPolarHBondContact CA-O 3.17Å; V146-R188 PolarHBondContact N-O 2.95Å; N172-R188 WeakPolarHBondContact O-CA 3.33Å; T173-R188 HydrophobicContact CG2-CB 3.84Å; T173-R188 HydrophobicContact CG2-CG 3.74Å; E186-R188 IonicContact OE2-CZ 3.78Å; E186-R188 IonicContact OE2-NE 3.86Å; E186-R188 IonicContact OE2-NH2 3.05Å; E186-R188 PolarHBondContact OE2-NH2 3.46Å; R188-T190 PolarHBondContact O-N 2.92Å
189D97.7Very high96.8Very high56 Ų5649 Ų4930%0.29929%0.289SS..EExtended strand (participates in β ladder)trans-63.8126.2173.2-164.7-19.5000110.3V146 L149 N172 G191V146-D189 WeakPolarHBondContact O-CA 3.35Å; L149-D189 HydrophobicContact CD1-CB 3.79Å; L149-D189 HydrophobicContact CG-CB 3.92Å; N172-D189 HydrophobicContact CB-CB 3.83Å; N172-D189 PolarHBondContact O-N 2.94Å; D189-G191 VanDerWaalsContact C-N 3.34Å; D189-G191 WeakPolarHBondContact OD1-CA 3.37Å; D189-G191 PolarHBondContact OD1-N 2.97Å
190T95.6Very high96.8Very high43 Ų4349.5 Ų49.526%0.26429%0.286SS..  trans-84.3-10176.459.10000113.1G145 V146 R188 G192 V194G145-T190 VanDerWaalsContact CA-CG2 3.43Å; V146-T190 PolarHBondContact O-N 3.48Å; V146-T190 PolarHBondContact O-OG1 3.45Å; R188-T190 PolarHBondContact O-N 2.92Å; T190-G192 PolarHBondContact O-N 3.3Å; T190-G192 PolarHBondContact OG1-O 2.78Å; T190-G192 VanDerWaalsContact OG1-O 3.07Å; T190-V194 HydrophobicContact CG2-CG2 4.46Å
191G92.8Very high96.9Very high74 Ų7443.1 Ų43.176%0.76326%0.255SS*.SBendtrans72.611.6-173.600000113.6D189D189-G191 VanDerWaalsContact C-N 3.34Å; D189-G191 WeakPolarHBondContact OD1-CA 3.37Å; D189-G191 PolarHBondContact OD1-N 2.97Å
192G92.9Very high97.1Very high36 Ų3638.9 Ų38.937%0.37122%0.223SC..SBendtrans-174.1-156.9-175.900000113.8S147 T190S147-G192 WeakPolarHBondContact CA-O 3.06Å; S147-G192 WeakPolarHBondContact CB-O 3.48Å; T190-G192 PolarHBondContact O-N 3.3Å; T190-G192 PolarHBondContact OG1-O 2.78Å; T190-G192 VanDerWaalsContact OG1-O 3.07Å
193K95.6Very high97.2Very high183 Ų18337.2 Ų37.280%0.79622%0.216SC*.  trans-71.8137.8177.8-176.2-176.8174.1-169.20110.3N85N85-K193 PolarHBondContact ND2-O 2.98Å
194V98.4Very high97.2Very high10 Ų1036.9 Ų36.96%0.06121%0.214CC..  trans-76.1123.1167.7-177.40000109.5N85 D86 G145 T190 D250N85-V194 WeakPolarHBondContact OD1-CA 3.32Å; D86-V194 HydrophobicContact CB-CG1 3.59Å; G145-V194 WeakPolarHBondContact O-CG2 3.36Å; T190-V194 HydrophobicContact CG2-CG2 4.46Å; V194-D250 HydrophobicContact CB-CB 4.36Å; V194-D250 HydrophobicContact CG2-CB 3.99Å
195D98.3Very high97.2Very high85 Ų8535.8 Ų35.846%0.45521%0.209SC..  trans-105.1120.2170.6-178.413.5000108.4G84 N85 D86 G197G84-D195 CarbonylContact C-O 3.32Å; G84-D195 WeakPolarHBondContact CA-O 3.42Å; N85-D195 PolarHBondContact N-O 2.86Å; N85-D195 PolarHBondContact OD1-N 3.49Å; N85-D195 PolarHBondContact OD1-O 3.27Å; D86-D195 PolarHBondContact N-O 3.49Å; D195-G197 PolarHBondContact OD1-N 2.94Å
196H97.9Very high97.2Very high41 Ų4135.8 Ų35.819%0.1921%0.209CC..  trans-83.9-17.7-180-74.5-64000112.9D86 F200 D250 H252D86-H196 WeakPolarHBondContact CB-ND1 3.19Å; D86-H196 IonicContact OD2-CE1 2.76Å; D86-H196 IonicContact OD2-CG 2.81Å; D86-H196 IonicContact OD2-ND1 3.12Å; D86-H196 PolarHBondContact OD2-ND1 2.93Å; H196-F200 HydrophobicContact CB-CB 3.87Å; H196-F200 HydrophobicContact CB-CD1 4.32Å; H196-F200 HydrophobicContact CB-CG 4.33Å; H196-F200 WeakPolarHBondContact O-CB 3.35Å; H196-F200 PolarHBondContact O-N 2.71Å; H196-D250 PolarHBondContact NE2-O 3Å; H196-H252 AromaticContact CE1-CE1 3.95Å; H196-H252 AromaticContact CE1-ND1 3.76Å
197G97.1Very high97.1Very high20 Ų2035.1 Ų35.121%0.20621%0.206CC..BIsolated β-bridgetrans50.9-146.8-168.100000111.8Q82 D195Q82-G197 CarbonylContact O-C 3.57Å; Q82-G197 WeakPolarHBondContact O-CA 3.42Å; D195-G197 PolarHBondContact OD1-N 2.94Å
198T96.2Very high97.1Very high33 Ų3336 Ų3620%0.20221%0.211CC..THydrogen-bonded Turntrans-108-12.2173.262.40000112.6K13 Q82 F200 A299K13-T198 VanDerWaalsContact CD-O 3.29Å; K13-T198 WeakPolarHBondContact CD-O 3.38Å; K13-T198 PolarHBondContact NZ-O 2.98Å; Q82-T198 PolarHBondContact N-OG1 2.82Å; Q82-T198 PolarHBondContact O-N 3.34Å; T198-F200 VanDerWaalsContact C-N 3.35Å; T198-A299 WeakPolarHBondContact CB-O 3.36Å; T198-A299 VanDerWaalsContact CG2-O 3.28Å; T198-A299 WeakPolarHBondContact CG2-O 3.47Å; T198-A299 PolarHBondContact OG1-O 2.99Å
199A97.1Very high97Very high1 Ų138.7 Ų38.71%0.00822%0.221CC..THydrogen-bonded Turntrans-85.5-0.217900000114.6Q82 L83 Y124Q82-A199 VanDerWaalsContact O-CB 3.27Å; Q82-A199 WeakPolarHBondContact O-CB 3.44Å; Q82-A199 PolarHBondContact O-N 2.94Å; L83-A199 HydrophobicContact CB-CB 4.45Å; L83-A199 HydrophobicContact CD1-CB 4.05Å; Y124-A199 HydrophobicContact CE1-CB 4.21Å; Y124-A199 WeakPolarHBondContact OH-CB 3.22Å; Y124-A199 PolarHBondContact OH-O 3.2Å
200F96.2Very high97Very high47 Ų4743.1 Ų43.121%0.20624%0.24CC..  trans-47.5140.5178.466.7-90.2000112.1K13 D86 H196 T198 E253K13-F200 WeakPolarHBondContact CE-O 3.45Å; K13-F200 VanDerWaalsContact NZ-CZ 3.25Å; K13-F200 PolarHBondContact NZ-O 2.6Å; D86-F200 WeakPolarHBondContact OD2-CB 3.31Å; H196-F200 HydrophobicContact CB-CB 3.87Å; H196-F200 HydrophobicContact CB-CD1 4.32Å; H196-F200 HydrophobicContact CB-CG 4.33Å; H196-F200 WeakPolarHBondContact O-CB 3.35Å; H196-F200 PolarHBondContact O-N 2.71Å; T198-F200 VanDerWaalsContact C-N 3.35Å; F200-E253 HydrophobicContact CE2-CG 4.48Å; F200-E253 WeakPolarHBondContact CE2-OE1 3.1Å
201G96Very high97Very high11 Ų1142.5 Ų42.511%0.11324%0.235CC..  trans-103.2-167.5179.700000113V11V11-G201 WeakPolarHBondContact O-CA 3.38Å
202R98.1Very high97.3Very high12 Ų1239 Ų395%0.04520%0.199CC..EExtended strand (participates in β ladder)trans-142.6133.7175.7-175.2-179.8-61.6178.1-2.6108.4F10 V11 A44 T45 E253 C255F10-R202 WeakPolarHBondContact CA-O 3.38Å; V11-R202 HydrophobicContact CB-CB 4.16Å; V11-R202 HydrophobicContact CG2-CB 4.01Å; V11-R202 PolarHBondContact N-O 2.98Å; A44-R202 PolarHBondContact O-NH1 3.25Å; A44-R202 PolarHBondContact O-NH2 3.34Å; T45-R202 PolarHBondContact OG1-NH2 2.87Å; R202-E253 WeakPolarHBondContact CA-O 3.46Å; R202-E253 HydrophobicContact CB-CB 3.97Å; R202-E253 HydrophobicContact CG-CB 3.72Å; R202-E253 WeakPolarHBondContact CG-O 3.4Å; R202-E253 IonicContact CZ-OE2 2.79Å; R202-E253 IonicContact NE-OE2 3.57Å; R202-E253 PolarHBondContact NE-OE2 3.42Å; R202-E253 IonicContact NH2-OE2 3.35Å; R202-E253 PolarHBondContact NH2-OE2 3.12Å; R202-C255 HydrophobicContact CG-CB 4.34Å
203I98.7Very high97.5Very high4 Ų440.2 Ų40.22%0.02120%0.2CC..EExtended strand (participates in β ladder)trans-96.2136.9171.5-168.8164.5000109.6F10 F68 V142 W156 L185 F205 E253 I254 C255F10-I203 HydrophobicContact CD2-CB 3.96Å; F10-I203 HydrophobicContact CD2-CG1 4.44Å; F10-I203 HydrophobicContact CE2-CB 4.35Å; F68-I203 HydrophobicContact CE2-CD1 4.38Å; F68-I203 HydrophobicContact CE2-CG1 4.38Å; F68-I203 HydrophobicContact CZ-CD1 4.4Å; F68-I203 HydrophobicContact CZ-CG1 4.42Å; V142-I203 HydrophobicContact CB-CD1 4.44Å; W156-I203 HydrophobicContact CH2-CG2 3.92Å; L185-I203 HydrophobicContact CD1-CD1 4.48Å; I203-F205 HydrophobicContact CB-CE2 4.4Å; I203-F205 HydrophobicContact CD1-CE1 4.44Å; I203-F205 HydrophobicContact CD1-CE2 4.3Å; I203-F205 HydrophobicContact CD1-CZ 3.69Å; I203-F205 HydrophobicContact CG1-CE2 3.95Å; I203-F205 HydrophobicContact CG1-CZ 3.77Å; I203-F205 HydrophobicContact CG2-CE2 3.77Å; I203-F205 HydrophobicContact CG2-CZ 4.24Å; I203-E253 PolarHBondContact N-O 3.01Å; I203-E253 VanDerWaalsContact N-O 3.09Å; I203-I254 HydrophobicContact CG2-CG1 4.42Å; I203-I254 HydrophobicContact CG2-CG2 4.44Å; I203-I254 CarbonylContact O-C 3.57Å; I203-I254 WeakPolarHBondContact O-CA 3.41Å; I203-C255 PolarHBondContact O-N 3.21Å
204A98.7Very high97.6Very high1 Ų136.9 Ų36.91%0.00819%0.19CC..EExtended strand (participates in β ladder)trans-116.4142-17700000112.5L8 H9 C255L8-A204 HydrophobicContact CB-CB 4.22Å; L8-A204 WeakPolarHBondContact CB-O 3.28Å; L8-A204 HydrophobicContact CD1-CB 4.3Å; L8-A204 PolarHBondContact N-O 2.83Å; H9-A204 WeakPolarHBondContact NE2-CB 3.15Å; H9-A204 PolarHBondContact O-N 3.06Å; A204-C255 CarbonylContact C-O 3.47Å; A204-C255 WeakPolarHBondContact CA-O 3.09Å; A204-C255 HydrophobicContact CB-CB 3.95Å
205F98.7Very high97.6Very high4 Ų436.6 Ų36.62%0.01819%0.189CC..EExtended strand (participates in β ladder)trans-131.6146.7175.4-56.5-82.8000110.3R6 A7 W156 M162 Y178 I203 I254 C255 F256 V257R6-F205 CarbonylContact O-C 3.45Å; R6-F205 WeakPolarHBondContact O-CA 3.25Å; A7-F205 HydrophobicContact CB-CD1 3.95Å; A7-F205 HydrophobicContact CB-CE1 3.8Å; W156-F205 AromaticContact CH2-CE2 3.93Å; W156-F205 HydrophobicContact CH2-CE2 3.93Å; W156-F205 HydrophobicContact CH2-CZ 4.4Å; W156-F205 AromaticContact CZ3-CE2 3.62Å; W156-F205 HydrophobicContact CZ3-CE2 3.62Å; W156-F205 AromaticContact CZ3-CZ 3.95Å; W156-F205 HydrophobicContact CZ3-CZ 3.95Å; M162-F205 HydrophobicContact CE-CD1 4.29Å; M162-F205 HydrophobicContact CE-CE1 3.41Å; M162-F205 VanDerWaalsContact CE-CE1 3.41Å; M162-F205 HydrophobicContact CE-CE2 4.08Å; M162-F205 HydrophobicContact CE-CZ 3.29Å; Y178-F205 AromaticContact CD2-CD1 3.98Å; Y178-F205 HydrophobicContact CD2-CD1 3.98Å; Y178-F205 HydrophobicContact CD2-CE1 4.31Å; Y178-F205 HydrophobicContact CE2-CB 4.48Å; Y178-F205 AromaticContact CE2-CD1 3.51Å; Y178-F205 HydrophobicContact CE2-CD1 3.51Å; Y178-F205 AromaticContact CE2-CE1 3.92Å; Y178-F205 HydrophobicContact CE2-CE1 3.92Å; Y178-F205 HydrophobicContact CE2-CG 4.04Å; I203-F205 HydrophobicContact CB-CE2 4.4Å; I203-F205 HydrophobicContact CD1-CE1 4.44Å; I203-F205 HydrophobicContact CD1-CE2 4.3Å; I203-F205 HydrophobicContact CD1-CZ 3.69Å; I203-F205 HydrophobicContact CG1-CE2 3.95Å; I203-F205 HydrophobicContact CG1-CZ 3.77Å; I203-F205 HydrophobicContact CG2-CE2 3.77Å; I203-F205 HydrophobicContact CG2-CZ 4.24Å; F205-I254 HydrophobicContact CD2-CG2 3.77Å; F205-I254 HydrophobicContact CE2-CG2 3.87Å; F205-C255 PolarHBondContact N-O 2.92Å; F205-F256 HydrophobicContact CB-CD1 3.9Å; F205-F256 HydrophobicContact CB-CE1 3.52Å; F205-F256 HydrophobicContact CB-CZ 3.99Å; F205-F256 HydrophobicContact CD2-CE1 4.43Å; F205-F256 HydrophobicContact CD2-CE2 4.38Å; F205-F256 HydrophobicContact CD2-CZ 4.03Å; F205-F256 HydrophobicContact CG-CE1 4.22Å; F205-F256 HydrophobicContact CG-CZ 4.21Å; F205-F256 CarbonylContact O-C 3.59Å; F205-F256 VanDerWaalsContact O-CA 3.32Å; F205-F256 WeakPolarHBondContact O-CA 3.22Å; F205-V257 PolarHBondContact O-N 3.41Å
206S98.4Very high97.6Very high2 Ų233.7 Ų33.71%0.01417%0.172CC..EExtended strand (participates in β ladder)trans-98.8154.8165.669.50000112R5 R6 V257 D259R5-S206 VanDerWaalsContact CA-O 3.26Å; R5-S206 WeakPolarHBondContact CA-O 3.47Å; R6-S206 PolarHBondContact N-O 3.37Å; R6-S206 PolarHBondContact O-N 2.72Å; S206-V257 VanDerWaalsContact CA-O 3.23Å; S206-V257 WeakPolarHBondContact CA-O 3.32Å; S206-D259 VanDerWaalsContact CB-OD1 3.25Å; S206-D259 WeakPolarHBondContact CB-OD1 3.45Å; S206-D259 PolarHBondContact OG-OD1 2.82Å
207C98Very high97.6Very high0 Ų034.4 Ų34.40%019%0.185CC..EExtended strand (participates in β ladder)trans-144.9165.5165.464.10000108.9R5 R209 Q211 V257 G258 D259R5-C207 HydrophobicContact CG-CB 4.19Å; C207-R209 PolarHBondContact O-N 3.17Å; C207-Q211 HydrophobicContact CB-CB 4.44Å; C207-V257 PolarHBondContact N-O 3.06Å; C207-G258 CarbonylContact O-C 3.45Å; C207-G258 WeakPolarHBondContact O-CA 3.34Å; C207-D259 PolarHBondContact O-N 3.42Å
208P97.8Very high97.7Very high18 Ų1835.9 Ų35.912%0.11719%0.188CC..  trans-49.3133.5167.3-27.934.3000110.4L4 E210 Q211L4-P208 HydrophobicContact CB-CG 4.26Å; L4-P208 WeakPolarHBondContact O-CD 3.45Å; P208-E210 HydrophobicContact CB-CG 4.04Å; P208-E210 PolarHBondContact O-N 2.91Å; P208-E210 VanDerWaalsContact O-N 3.1Å; P208-Q211 HydrophobicContact CB-CG 4.23Å; P208-Q211 WeakPolarHBondContact O-CB 3.24Å; P208-Q211 PolarHBondContact O-N 2.97Å
209R97.2Very high97.8Very high131 Ų13134.3 Ų34.349%0.49418%0.179SC..G310 helixtrans-53.4-35.2-175.8173.1-99.4177.4840.1112.6C207 Q211 L212 E242 E260C207-R209 PolarHBondContact O-N 3.17Å; R209-Q211 PolarHBondContact O-N 2.93Å; R209-L212 PolarHBondContact O-N 3.06Å; R209-E242 VanDerWaalsContact CZ-CD 3.41Å; R209-E242 IonicContact CZ-OE1 4Å; R209-E242 IonicContact CZ-OE2 2.6Å; R209-E242 IonicContact NE-OE1 3.58Å; R209-E242 IonicContact NE-OE2 2.89Å; R209-E242 PolarHBondContact NE-OE2 3.31Å; R209-E242 VanDerWaalsContact NE-OE2 3.17Å; R209-E242 IonicContact NH1-OE2 3.58Å; R209-E242 PolarHBondContact NH1-OE2 2.94Å; R209-E242 IonicContact NH2-OE1 2.82Å; R209-E242 PolarHBondContact NH2-OE1 2.82Å; R209-E242 IonicContact NH2-OE2 3.83Å; R209-E242 PolarHBondContact NH2-OE2 3.14Å; R209-E260 VanDerWaalsContact CB-OE2 3.29Å; R209-E260 WeakPolarHBondContact CB-OE2 3.27Å; R209-E260 PolarHBondContact N-OE1 2.93Å; R209-E260 PolarHBondContact N-OE2 2.94Å
210E96.9Very high97.8Very high149 Ų14940.2 Ų40.270%0.69620%0.204SC*.G310 helixtrans-61.6-19.1177.163.8179.4-167.700114.4P208 P213P208-E210 HydrophobicContact CB-CG 4.04Å; P208-E210 PolarHBondContact O-N 2.91Å; P208-E210 VanDerWaalsContact O-N 3.1Å; E210-P213 WeakPolarHBondContact O-CD 3.37Å
211Q96.9Very high98Very high31 Ų3145.5 Ų45.515%0.14523%0.227CC..G310 helixtrans-86.9-12.9179-63.1-178.81100113.5C207 P208 R209 D214 I215C207-Q211 HydrophobicContact CB-CB 4.44Å; P208-Q211 HydrophobicContact CB-CG 4.23Å; P208-Q211 WeakPolarHBondContact O-CB 3.24Å; P208-Q211 PolarHBondContact O-N 2.97Å; R209-Q211 PolarHBondContact O-N 2.93Å; Q211-D214 WeakPolarHBondContact O-CB 3.32Å; Q211-D214 PolarHBondContact O-N 3.36Å; Q211-I215 WeakPolarHBondContact O-CG1 3.45Å; Q211-I215 PolarHBondContact O-N 3.36Å
212L97.9Very high98.1Very high1 Ų148 Ų481%0.00524%0.236CC..Hα-helixtrans-61.1-45.4-178.9-63.2170.8000112.9R209 D214 I215 E216 L230 E242 V244 F256R209-L212 PolarHBondContact O-N 3.06Å; L212-D214 VanDerWaalsContact C-N 3.26Å; L212-D214 PolarHBondContact O-N 3.44Å; L212-I215 PolarHBondContact O-N 3.33Å; L212-E216 PolarHBondContact O-N 3.23Å; L212-E216 VanDerWaalsContact O-N 3.1Å; L212-L230 HydrophobicContact CB-CD1 3.82Å; L212-L230 HydrophobicContact CD1-CD1 3.85Å; L212-L230 HydrophobicContact CG-CD1 4.48Å; L212-E242 HydrophobicContact CD1-CB 3.86Å; L212-E242 WeakPolarHBondContact CD1-O 3.41Å; L212-V244 HydrophobicContact CB-CG2 4.2Å; L212-V244 HydrophobicContact CD2-CG2 4.49Å; L212-F256 HydrophobicContact CD2-CB 3.8Å; L212-F256 WeakPolarHBondContact CD2-O 3.38Å
213P98.3Very high98.1Very high61 Ų6156.4 Ų56.440%0.39627%0.273SS..Hα-helixtrans-60.6-35.2174.9-22.234.1000113.1E210 E216 A217 L230E210-P213 WeakPolarHBondContact O-CD 3.37Å; P213-E216 PolarHBondContact O-N 3.07Å; P213-A217 VanDerWaalsContact O-CB 3.32Å; P213-A217 WeakPolarHBondContact O-CB 3.15Å; P213-A217 PolarHBondContact O-N 2.95Å; P213-L230 HydrophobicContact CG-CD2 4.1Å
214D97.6Very high98.1Very high112 Ų11258.1 Ų58.160%0.59928%0.28SS*.Hα-helixtrans-69.1-38.3178.7-70-19.7000111.8Q211 L212 A217 L218Q211-D214 WeakPolarHBondContact O-CB 3.32Å; Q211-D214 PolarHBondContact O-N 3.36Å; L212-D214 VanDerWaalsContact C-N 3.26Å; L212-D214 PolarHBondContact O-N 3.44Å; D214-A217 PolarHBondContact O-N 2.99Å; D214-L218 VanDerWaalsContact O-CB 3.31Å; D214-L218 WeakPolarHBondContact O-CB 3.48Å; D214-L218 PolarHBondContact O-N 2.74Å
215I97.7Very high98Very high4 Ų461.5 Ų61.52%0.02130%0.301CS..Hα-helixtrans-61.5-48.5173.4-68.3169.1000109.9Q211 L212 A217 L218 M219 L246 F256Q211-I215 WeakPolarHBondContact O-CG1 3.45Å; Q211-I215 PolarHBondContact O-N 3.36Å; L212-I215 PolarHBondContact O-N 3.33Å; I215-A217 PolarHBondContact O-N 2.94Å; I215-L218 PolarHBondContact O-N 3.31Å; I215-M219 WeakPolarHBondContact O-CG 3.34Å; I215-M219 PolarHBondContact O-N 2.88Å; I215-L246 HydrophobicContact CG2-CD1 4.03Å; I215-F256 HydrophobicContact CD1-CB 4.16Å; I215-F256 HydrophobicContact CD1-CD1 3.75Å; I215-F256 HydrophobicContact CD1-CD2 4.34Å; I215-F256 HydrophobicContact CD1-CE1 4.29Å; I215-F256 HydrophobicContact CD1-CG 3.8Å; I215-F256 HydrophobicContact CG2-CD2 4.39Å
216E98.2Very high98Very high25 Ų2563.2 Ų63.212%0.11731%0.31CS..Hα-helixtrans-61.1-45.2177.7-172-177141.200111.7L212 P213 L218 M219 K220 I226 L230 V244L212-E216 PolarHBondContact O-N 3.23Å; L212-E216 VanDerWaalsContact O-N 3.1Å; P213-E216 PolarHBondContact O-N 3.07Å; E216-L218 VanDerWaalsContact C-N 3.33Å; E216-L218 PolarHBondContact O-N 3.4Å; E216-M219 PolarHBondContact O-N 2.79Å; E216-K220 WeakPolarHBondContact O-CG 3.34Å; E216-K220 PolarHBondContact O-N 2.88Å; E216-K220 WeakPolarHBondContact OE1-CE 3.13Å; E216-K220 IonicContact OE1-NZ 3.76Å; E216-K220 PolarHBondContact OE1-NZ 2.89Å; E216-I226 HydrophobicContact CG-CD1 3.89Å; E216-L230 WeakPolarHBondContact OE2-CB 3.42Å; E216-L230 PolarHBondContact OE2-N 2.76Å; E216-V244 HydrophobicContact CB-CG1 4.46Å; E216-V244 HydrophobicContact CB-CG2 4.45Å
217A98.4Very high98Very high55 Ų5566.4 Ų66.446%0.45533%0.327SS..Hα-helixtrans-62-39.8178.200000112.2P213 D214 I215 K220 K221P213-A217 VanDerWaalsContact O-CB 3.32Å; P213-A217 WeakPolarHBondContact O-CB 3.15Å; P213-A217 PolarHBondContact O-N 2.95Å; D214-A217 PolarHBondContact O-N 2.99Å; I215-A217 PolarHBondContact O-N 2.94Å; A217-K220 PolarHBondContact O-N 2.91Å; A217-K221 WeakPolarHBondContact O-CB 3.48Å; A217-K221 PolarHBondContact O-N 3.37Å
218L98.3Very high97.9Very high52 Ų5268 Ų6827%0.27234%0.335SS..Hα-helixtrans-62.3-47.7174.917862.3000111.3L159 D214 I215 E216 K220 K221 E222L159-L218 HydrophobicContact CB-CD2 4.39Å; L159-L218 VanDerWaalsContact O-CD2 3.3Å; L159-L218 WeakPolarHBondContact O-CD2 3.49Å; D214-L218 VanDerWaalsContact O-CB 3.31Å; D214-L218 WeakPolarHBondContact O-CB 3.48Å; D214-L218 PolarHBondContact O-N 2.74Å; I215-L218 PolarHBondContact O-N 3.31Å; E216-L218 VanDerWaalsContact C-N 3.33Å; E216-L218 PolarHBondContact O-N 3.4Å; L218-K220 VanDerWaalsContact C-N 3.34Å; L218-K220 PolarHBondContact O-N 3.13Å; L218-K221 WeakPolarHBondContact O-CB 3.38Å; L218-K221 PolarHBondContact O-N 3.07Å; L218-K221 VanDerWaalsContact O-N 3.16Å; L218-E222 HydrophobicContact CD1-CG 3.94Å; L218-E222 WeakPolarHBondContact O-CG 3.18Å; L218-E222 PolarHBondContact O-N 2.93Å
219M98.5Very high97.9Very high0 Ų070.7 Ų70.70%035%0.352CS..Hα-helixtrans-63.5-40179.7-64.3-61.1144.100111.7Y155 L159 L160 I215 E216 K221 E222 K223 E224 I226 L246Y155-M219 HydrophobicContact CE2-SD 4.06Å; L159-M219 HydrophobicContact CB-CE 3.9Å; L160-M219 HydrophobicContact CD2-CE 3.39Å; L160-M219 HydrophobicContact CG-CE 4.22Å; I215-M219 WeakPolarHBondContact O-CG 3.34Å; I215-M219 PolarHBondContact O-N 2.88Å; E216-M219 PolarHBondContact O-N 2.79Å; M219-K221 PolarHBondContact O-N 2.79Å; M219-E222 PolarHBondContact O-N 2.82Å; M219-K223 PolarHBondContact O-N 3.35Å; M219-E224 HydrophobicContact CB-CB 4.3Å; M219-E224 PolarHBondContact O-N 3.46Å; M219-E224 HydrophobicContact SD-CB 3.68Å; M219-E224 HydrophobicContact SD-CG 4.09Å; M219-I226 HydrophobicContact CB-CD1 3.88Å; M219-I226 HydrophobicContact CB-CG1 3.74Å; M219-L246 HydrophobicContact CB-CD2 4.37Å; M219-L246 HydrophobicContact CE-CD1 4.13Å; M219-L246 HydrophobicContact CG-CD1 3.9Å; M219-L246 HydrophobicContact CG-CD2 3.78Å; M219-L246 HydrophobicContact CG-CG 4.48Å; M219-L246 HydrophobicContact SD-CD1 4.14Å
220K98.4Very high97.9Very high125 Ų12567.4 Ų67.454%0.54334%0.344SS..Hα-helixtrans-60.3-44.4172.2-72.9177.3-176.6169.10112.4E216 A217 L218 K223 I226E216-K220 WeakPolarHBondContact O-CG 3.34Å; E216-K220 PolarHBondContact O-N 2.88Å; E216-K220 WeakPolarHBondContact OE1-CE 3.13Å; E216-K220 IonicContact OE1-NZ 3.76Å; E216-K220 PolarHBondContact OE1-NZ 2.89Å; A217-K220 PolarHBondContact O-N 2.91Å; L218-K220 VanDerWaalsContact C-N 3.34Å; L218-K220 PolarHBondContact O-N 3.13Å; K220-K223 PolarHBondContact O-N 2.86Å; K220-I226 HydrophobicContact CG-CD1 3.6Å
221K98.5Very high97.8Very high157 Ų15762.4 Ų62.468%0.68332%0.324SS*.Hα-helixtrans-63.4-44.8179.9176.5-173.1167.8-1690111.7A217 L218 M219 K223A217-K221 WeakPolarHBondContact O-CB 3.48Å; A217-K221 PolarHBondContact O-N 3.37Å; L218-K221 WeakPolarHBondContact O-CB 3.38Å; L218-K221 PolarHBondContact O-N 3.07Å; L218-K221 VanDerWaalsContact O-N 3.16Å; M219-K221 PolarHBondContact O-N 2.79Å; K221-K223 PolarHBondContact O-N 2.98Å
222E98.1Very high97.8Very high64 Ų6463.8 Ų63.830%0.29934%0.337SS..Hα-helixtrans-81.1-3.2-179.6-61-64.5135.600112.8R154 L159 L218 M219 E224R154-E222 IonicContact NH2-OE2 2.91Å; L159-E222 HydrophobicContact CD1-CB 4.22Å; L159-E222 HydrophobicContact CD1-CG 4.3Å; L159-E222 HydrophobicContact CD2-CG 3.85Å; L218-E222 HydrophobicContact CD1-CG 3.94Å; L218-E222 WeakPolarHBondContact O-CG 3.18Å; L218-E222 PolarHBondContact O-N 2.93Å; M219-E222 PolarHBondContact O-N 2.82Å; E222-E224 VanDerWaalsContact C-N 3.26Å; E222-E224 HydrophobicContact CB-CG 4.02Å; E222-E224 PolarHBondContact O-N 2.92Å
223K98.2Very high97.5Very high189 Ų18964.7 Ų64.782%0.82234%0.342SS*.THydrogen-bonded Turntrans6035.5-178.2-52.6176.7-178.5177.30112.8M219 K220 K221M219-K223 PolarHBondContact O-N 3.35Å; K220-K223 PolarHBondContact O-N 2.86Å; K221-K223 PolarHBondContact O-N 2.98Å
224E98.4Very high97.1Very high40 Ų4066.5 Ų66.519%0.18735%0.348CS..  trans-86.6163.6173.4-63.1-65.4175.300111.1Y155 L159 M219 E222Y155-E224 HydrophobicContact CD2-CG 4.08Å; Y155-E224 HydrophobicContact CE2-CB 4.03Å; Y155-E224 HydrophobicContact CE2-CG 3.82Å; L159-E224 HydrophobicContact CD1-CG 3.74Å; M219-E224 HydrophobicContact CB-CB 4.3Å; M219-E224 PolarHBondContact O-N 3.46Å; M219-E224 HydrophobicContact SD-CB 3.68Å; M219-E224 HydrophobicContact SD-CG 4.09Å; E222-E224 VanDerWaalsContact C-N 3.26Å; E222-E224 HydrophobicContact CB-CG 4.02Å; E222-E224 PolarHBondContact O-N 2.92Å
225T98.6Very high96.6Very high71 Ų7162 Ų6244%0.43633%0.325SS..EExtended strand (participates in β ladder)trans-77.8125.9-174-57.20000112.2L227 A247T225-L227 HydrophobicContact CG2-CD2 3.9Å; T225-L227 HydrophobicContact CG2-CG 4.42Å; T225-A247 HydrophobicContact CG2-CB 3.69Å; T225-A247 PolarHBondContact O-N 3.35Å; T225-A247 VanDerWaalsContact O-N 3.15Å
226I98.5Very high96Very high41 Ų4166.3 Ų66.321%0.2135%0.353CS..EExtended strand (participates in β ladder)trans-111.9114.7168-60.6158.1000107E216 M219 K220 P229 L246E216-I226 HydrophobicContact CG-CD1 3.89Å; M219-I226 HydrophobicContact CB-CD1 3.88Å; M219-I226 HydrophobicContact CB-CG1 3.74Å; K220-I226 HydrophobicContact CG-CD1 3.6Å; I226-P229 HydrophobicContact CG2-CG 4.36Å; I226-L246 HydrophobicContact CB-CD2 4.39Å; I226-L246 HydrophobicContact CG1-CD2 3.85Å; I226-L246 HydrophobicContact CG2-CD2 4.45Å
227L97.3Very high95.5Very high69 Ų6969.6 Ų69.636%0.36139%0.393SS..EExtended strand (participates in β ladder)trans-78.5-43.6178.1-63.3178.9000111T225 I245 A247 E253T225-L227 HydrophobicContact CG2-CD2 3.9Å; T225-L227 HydrophobicContact CG2-CG 4.42Å; L227-I245 HydrophobicContact CB-CB 4.26Å; L227-I245 HydrophobicContact CB-CG2 4Å; L227-I245 HydrophobicContact CD1-CG2 4.06Å; L227-I245 PolarHBondContact N-O 3.42Å; L227-A247 HydrophobicContact CD1-CB 3.99Å; L227-A247 HydrophobicContact CD2-CB 4.1Å; L227-A247 HydrophobicContact CG-CB 3.97Å; L227-E253 HydrophobicContact CD1-CB 4.32Å; L227-E253 HydrophobicContact CD1-CG 3.69Å
228N96.4Very high95.3Very high33 Ų3370 Ų7018%0.17639%0.385CS..EExtended strand (participates in β ladder)trans-134.5119.1173.4-61.883000108.8I245N228-I245 HydrophobicContact CB-CB 3.87Å; N228-I245 HydrophobicContact CB-CG1 3.84Å; N228-I245 PolarHBondContact N-O 2.81Å; N228-I245 VanDerWaalsContact N-O 3.08Å; N228-I245 PolarHBondContact O-N 2.94Å
229P97Very high95Very high74 Ų7468.7 Ų68.748%0.48138%0.381SS..EExtended strand (participates in β ladder)trans-57.3171.1166.5-22.233.9000111.6I226 V231I226-P229 HydrophobicContact CG2-CG 4.36Å; P229-V231 PolarHBondContact O-N 3.26Å; P229-V231 VanDerWaalsContact O-N 3.1Å
230L96.9Very high94.9Very high63 Ų6372 Ų7233%0.3340%0.402SS..EExtended strand (participates in β ladder)trans-47.4118.7178.3-17762.9000111.7L212 P213 E216 E242 V243 V244L212-L230 HydrophobicContact CB-CD1 3.82Å; L212-L230 HydrophobicContact CD1-CD1 3.85Å; L212-L230 HydrophobicContact CG-CD1 4.48Å; P213-L230 HydrophobicContact CG-CD2 4.1Å; E216-L230 WeakPolarHBondContact OE2-CB 3.42Å; E216-L230 PolarHBondContact OE2-N 2.76Å; L230-E242 HydrophobicContact CD1-CB 3.99Å; L230-V243 WeakPolarHBondContact CA-O 3.47Å; L230-V244 HydrophobicContact CB-CG2 4.08Å; L230-V244 HydrophobicContact CD1-CG2 4Å
231V96.1Very high94.8Very high43 Ų4366.4 Ų66.426%0.26138%0.378SS..EExtended strand (participates in β ladder)trans-143142.1-17664.90000111.3A44 P229 L233 E242 V243A44-V231 HydrophobicContact CB-CG1 4.35Å; P229-V231 PolarHBondContact O-N 3.26Å; P229-V231 VanDerWaalsContact O-N 3.1Å; V231-L233 HydrophobicContact CG1-CD2 4.36Å; V231-E242 WeakPolarHBondContact O-CA 3.45Å; V231-V243 HydrophobicContact CG1-CG2 3.71Å; V231-V243 PolarHBondContact N-O 2.67Å; V231-V243 PolarHBondContact O-N 3.1Å
232S96.1Very high94.7Very high61 Ų6160.5 Ų60.543%0.42735%0.353SS..EExtended strand (participates in β ladder)trans-83.8133.4172.3-53.80000111V241S232-V241 CarbonylContact C-O 3.53Å; S232-V241 WeakPolarHBondContact CA-O 3.39Å
233L91.6Very high94.7Very high20 Ų2057.6 Ų57.611%0.10534%0.339CS..EExtended strand (participates in β ladder)trans-119.3125.8176.8-59.6-178.4000110.3K43 A44 V231 T240 V241 V243K43-L233 HydrophobicContact CB-CD2 4.18Å; A44-L233 HydrophobicContact CB-CD1 3.82Å; A44-L233 HydrophobicContact CB-CD2 3.74Å; A44-L233 HydrophobicContact CB-CG 4.33Å; V231-L233 HydrophobicContact CG1-CD2 4.36Å; L233-T240 WeakPolarHBondContact O-CA 3.17Å; L233-V241 HydrophobicContact CB-CG2 4.11Å; L233-V241 PolarHBondContact N-O 3.08Å; L233-V241 PolarHBondContact O-N 3.43Å; L233-V243 HydrophobicContact CD1-CB 4.49Å; L233-V243 HydrophobicContact CD1-CG1 4.04Å; L233-V243 HydrophobicContact CD1-CG2 3.57Å; L233-V243 HydrophobicContact CG-CG2 3.98Å
234D90.3Very high94.7Very high99 Ų9948.6 Ų48.653%0.52930%0.3SS..  trans-93.9142176.8-57.1-51.4000110T240D234-T240 WeakPolarHBondContact OD1-CB 3.48Å; D234-T240 VanDerWaalsContact OD1-CG2 3.22Å; D234-T240 WeakPolarHBondContact OD1-CG2 3.49Å; D234-T240 PolarHBondContact OD1-OG1 3.15Å
235T86.8Confident94.7Very high17 Ų1746.7 Ų46.710%0.10429%0.291CS..  trans-121127.5166.6-62.40000107.6E36 F38 G237 K238 L265E36-T235 HydrophobicContact CG-CG2 3.95Å; F38-T235 HydrophobicContact CE1-CG2 4.34Å; F38-T235 HydrophobicContact CZ-CG2 4.13Å; T235-G237 PolarHBondContact O-N 3.47Å; T235-G237 VanDerWaalsContact O-N 3.14Å; T235-K238 HydrophobicContact CG2-CB 4.09Å; T235-K238 HydrophobicContact CG2-CD 3.91Å; T235-K238 HydrophobicContact CG2-CG 4.14Å; T235-K238 PolarHBondContact O-N 2.67Å; T235-L265 HydrophobicContact CG2-CD1 3.96Å
236P86.1Confident94.7Very high95 Ų9543.3 Ų43.362%0.61727%0.271SS*.THydrogen-bonded Turntrans-51.1121.8-175.3-29.435.5000112.8K238P236-K238 PolarHBondContact O-N 3.01Å
237G87.9Confident94.7Very high93 Ų9341.7 Ų41.796%0.95926%0.263SS*.THydrogen-bonded Turntrans71.510.1179.100000115.7T235T235-G237 PolarHBondContact O-N 3.47Å; T235-G237 VanDerWaalsContact O-N 3.14Å
238K92.6Very high94.8Very high65 Ų6538.6 Ų38.628%0.28325%0.247SC..SBendtrans-125.8174179.6-58.3-167.2178.9-170.40111.9E36 T235 P236 L265E36-K238 IonicContact OE1-NZ 3.32Å; E36-K238 PolarHBondContact OE1-NZ 2.76Å; T235-K238 HydrophobicContact CG2-CB 4.09Å; T235-K238 HydrophobicContact CG2-CD 3.91Å; T235-K238 HydrophobicContact CG2-CG 4.14Å; T235-K238 PolarHBondContact O-N 2.67Å; P236-K238 PolarHBondContact O-N 3.01Å; K238-L265 HydrophobicContact CB-CD1 3.64Å; K238-L265 HydrophobicContact CD-CD1 3.75Å; K238-L265 HydrophobicContact CG-CD1 4.34Å
239A93.2Very high94.9Very high24 Ų2437.9 Ų37.920%0.19824%0.244CC..  trans-62.3134.3178.700000111.7Q264A239-Q264 HydrophobicContact CB-CB 3.77Å
240T95.1Very high94.9Very high69 Ų6935.5 Ų35.542%0.42323%0.228SC..  trans-67.8133166.7-57.40000109.2L233 D234 A261L233-T240 WeakPolarHBondContact O-CA 3.17Å; D234-T240 WeakPolarHBondContact OD1-CB 3.48Å; D234-T240 VanDerWaalsContact OD1-CG2 3.22Å; D234-T240 WeakPolarHBondContact OD1-CG2 3.49Å; D234-T240 PolarHBondContact OD1-OG1 3.15Å; T240-A261 WeakPolarHBondContact O-CB 3.45Å
241V96.4Very high95Very high7 Ų734 Ų344%0.04223%0.227CC..EExtended strand (participates in β ladder)trans-113.8157.9176-63.50000110.5S232 L233 V243 V257 A261 L265S232-V241 CarbonylContact C-O 3.53Å; S232-V241 WeakPolarHBondContact CA-O 3.39Å; L233-V241 HydrophobicContact CB-CG2 4.11Å; L233-V241 PolarHBondContact N-O 3.08Å; L233-V241 PolarHBondContact O-N 3.43Å; V241-V243 HydrophobicContact CG2-CG1 4.36Å; V241-V257 HydrophobicContact CB-CG2 3.8Å; V241-V257 HydrophobicContact CG1-CG2 4.28Å; V241-V257 HydrophobicContact CG2-CG2 4.12Å; V241-A261 HydrophobicContact CG1-CB 3.94Å; V241-L265 HydrophobicContact CG1-CB 4.04Å; V241-L265 HydrophobicContact CG1-CD2 3.63Å; V241-L265 HydrophobicContact CG1-CG 4.44Å; V241-L265 HydrophobicContact CG2-CD2 4.1Å
242E97.9Very high95.1Very high33 Ų3332.3 Ų32.315%0.15422%0.216CC..EExtended strand (participates in β ladder)trans-111.4138.8170.1-77.5159.2114.300110.1R209 L212 L230 V231 V257 G258R209-E242 VanDerWaalsContact CZ-CD 3.41Å; R209-E242 IonicContact CZ-OE1 4Å; R209-E242 IonicContact CZ-OE2 2.6Å; R209-E242 IonicContact NE-OE1 3.58Å; R209-E242 IonicContact NE-OE2 2.89Å; R209-E242 PolarHBondContact NE-OE2 3.31Å; R209-E242 VanDerWaalsContact NE-OE2 3.17Å; R209-E242 IonicContact NH1-OE2 3.58Å; R209-E242 PolarHBondContact NH1-OE2 2.94Å; R209-E242 IonicContact NH2-OE1 2.82Å; R209-E242 PolarHBondContact NH2-OE1 2.82Å; R209-E242 IonicContact NH2-OE2 3.83Å; R209-E242 PolarHBondContact NH2-OE2 3.14Å; L212-E242 HydrophobicContact CD1-CB 3.86Å; L212-E242 WeakPolarHBondContact CD1-O 3.41Å; L230-E242 HydrophobicContact CD1-CB 3.99Å; V231-E242 WeakPolarHBondContact O-CA 3.45Å; E242-V257 WeakPolarHBondContact O-CA 3.48Å; E242-V257 WeakPolarHBondContact O-CG2 3.46Å; E242-G258 PolarHBondContact O-N 3.47Å; E242-G258 VanDerWaalsContact O-N 3.1Å
243V97.9Very high95.3Very high4 Ų431 Ų312%0.02420%0.203CC..EExtended strand (participates in β ladder)trans-134155.4-178.3-55.80000112.4A44 L230 V231 L233 V241 I245 F256 V257A44-V243 HydrophobicContact CB-CG2 4.43Å; L230-V243 WeakPolarHBondContact CA-O 3.47Å; V231-V243 HydrophobicContact CG1-CG2 3.71Å; V231-V243 PolarHBondContact N-O 2.67Å; V231-V243 PolarHBondContact O-N 3.1Å; L233-V243 HydrophobicContact CD1-CB 4.49Å; L233-V243 HydrophobicContact CD1-CG1 4.04Å; L233-V243 HydrophobicContact CD1-CG2 3.57Å; L233-V243 HydrophobicContact CG-CG2 3.98Å; V241-V243 HydrophobicContact CG2-CG1 4.36Å; V243-I245 HydrophobicContact CB-CD1 4.25Å; V243-I245 HydrophobicContact CG2-CD1 4.03Å; V243-I245 HydrophobicContact CG2-CG1 4.39Å; V243-F256 CarbonylContact C-O 3.59Å; V243-F256 WeakPolarHBondContact CA-O 3.48Å; V243-V257 HydrophobicContact CG1-CB 3.9Å; V243-V257 HydrophobicContact CG1-CG2 3.8Å
244V98.1Very high95.6Very high0 Ų030 Ų300%020%0.198CC..EExtended strand (participates in β ladder)trans-122.4131.1161.2177.30000107.2L212 E216 L230 L246 F256L212-V244 HydrophobicContact CB-CG2 4.2Å; L212-V244 HydrophobicContact CD2-CG2 4.49Å; E216-V244 HydrophobicContact CB-CG1 4.46Å; E216-V244 HydrophobicContact CB-CG2 4.45Å; L230-V244 HydrophobicContact CB-CG2 4.08Å; L230-V244 HydrophobicContact CD1-CG2 4Å; V244-L246 HydrophobicContact CG1-CD2 3.68Å; V244-L246 HydrophobicContact CG1-CG 4.34Å; V244-F256 PolarHBondContact N-O 3.48Å; V244-F256 PolarHBondContact O-N 2.91Å
245I98.2Very high96Very high0 Ų026 Ų260%018%0.178CC..EExtended strand (participates in β ladder)trans-108.7125177.8-46.7-58.7000109.4A44 L227 N228 V243 I254 C255A44-I245 HydrophobicContact CB-CG1 4.4Å; L227-I245 HydrophobicContact CB-CB 4.26Å; L227-I245 HydrophobicContact CB-CG2 4Å; L227-I245 HydrophobicContact CD1-CG2 4.06Å; L227-I245 PolarHBondContact N-O 3.42Å; N228-I245 HydrophobicContact CB-CB 3.87Å; N228-I245 HydrophobicContact CB-CG1 3.84Å; N228-I245 PolarHBondContact N-O 2.81Å; N228-I245 VanDerWaalsContact N-O 3.08Å; N228-I245 PolarHBondContact O-N 2.94Å; V243-I245 HydrophobicContact CB-CD1 4.25Å; V243-I245 HydrophobicContact CG2-CD1 4.03Å; V243-I245 HydrophobicContact CG2-CG1 4.39Å; I245-I254 CarbonylContact C-O 3.6Å; I245-I254 VanDerWaalsContact CA-O 3.3Å; I245-I254 WeakPolarHBondContact CA-O 3.19Å; I245-C255 HydrophobicContact CD1-CB 3.72Å
246L98.6Very high96.6Very high0 Ų025.2 Ų25.20%017%0.173CC..EExtended strand (participates in β ladder)trans-113.3163.2-179.4-50.3178.9000110.4L160 I215 M219 I226 V244 E253 I254 F256L160-L246 HydrophobicContact CD2-CD1 4.05Å; I215-L246 HydrophobicContact CG2-CD1 4.03Å; M219-L246 HydrophobicContact CB-CD2 4.37Å; M219-L246 HydrophobicContact CE-CD1 4.13Å; M219-L246 HydrophobicContact CG-CD1 3.9Å; M219-L246 HydrophobicContact CG-CD2 3.78Å; M219-L246 HydrophobicContact CG-CG 4.48Å; M219-L246 HydrophobicContact SD-CD1 4.14Å; I226-L246 HydrophobicContact CB-CD2 4.39Å; I226-L246 HydrophobicContact CG1-CD2 3.85Å; I226-L246 HydrophobicContact CG2-CD2 4.45Å; V244-L246 HydrophobicContact CG1-CD2 3.68Å; V244-L246 HydrophobicContact CG1-CG 4.34Å; L246-E253 WeakPolarHBondContact O-CA 3.43Å; L246-I254 HydrophobicContact CB-CB 4.27Å; L246-I254 PolarHBondContact N-O 3Å; L246-I254 PolarHBondContact O-N 3.31Å; L246-F256 HydrophobicContact CD1-CD2 4.26Å; L246-F256 HydrophobicContact CD1-CE2 4.43Å
247A98.6Very high97.1Very high6 Ų621 Ų215%0.0515%0.145CC..EExtended strand (participates in β ladder)trans-118.6135159.600000108.9Y155 T225 L227 H252Y155-A247 PolarHBondContact OH-O 3.07Å; T225-A247 HydrophobicContact CG2-CB 3.69Å; T225-A247 PolarHBondContact O-N 3.35Å; T225-A247 VanDerWaalsContact O-N 3.15Å; L227-A247 HydrophobicContact CD1-CB 3.99Å; L227-A247 HydrophobicContact CD2-CB 4.1Å; L227-A247 HydrophobicContact CG-CB 3.97Å; A247-H252 WeakPolarHBondContact CA-O 3.47Å
248D98.7Very high97.6Very high4 Ų416.6 Ų16.62%0.02110%0.1CC..  trans-72.5177.5173.999.3-27.2000111.4Y155 W156 D250 G251 H252 I254Y155-D248 HydrophobicContact CD1-CB 4.02Å; Y155-D248 HydrophobicContact CE1-CB 3.7Å; W156-D248 HydrophobicContact CZ2-CB 4.23Å; W156-D248 PolarHBondContact NE1-OD2 2.81Å; D248-D250 PolarHBondContact O-N 2.85Å; D248-D250 WeakPolarHBondContact OD1-CA 3.19Å; D248-D250 PolarHBondContact OD1-N 3.39Å; D248-G251 PolarHBondContact O-N 2.99Å; D248-G251 PolarHBondContact OD1-N 2.98Å; D248-H252 HydrophobicContact CB-CB 4.4Å; D248-H252 PolarHBondContact N-O 2.91Å; D248-H252 WeakPolarHBondContact OD1-CB 3.41Å; D248-H252 IonicContact OD1-CD2 2.84Å; D248-H252 PolarHBondContact OD1-CD2 3.44Å; D248-H252 IonicContact OD1-CG 3.17Å; D248-H252 PolarHBondContact OD1-N 3.43Å; D248-H252 IonicContact OD2-CD2 2.68Å; D248-I254 HydrophobicContact CB-CD1 3.98Å
249P98.4Very high97.9Very high19 Ų1914.8 Ų14.812%0.1239%0.093CC..THydrogen-bonded Turntrans-54.9-23.6-178.3-33.140.9000116.2R151 Y155R151-P249 HydrophobicContact CG-CB 4.04Å; R151-P249 HydrophobicContact CG-CG 4.21Å; R151-P249 PolarHBondContact NH1-O 2.82Å; Y155-P249 HydrophobicContact CD1-CG 4.5Å; Y155-P249 HydrophobicContact CD2-CG 3.86Å; Y155-P249 VanDerWaalsContact CG-CD 3.45Å; Y155-P249 HydrophobicContact CG-CG 3.76Å
250D98.6Very high98.1Very high24 Ų2418.2 Ų18.213%0.12811%0.105CC..THydrogen-bonded Turntrans-101.6-8.5-179.8-74.1-70000112.7V146 S147 S152 V194 H196 D248V146-D250 WeakPolarHBondContact CA-OD2 3.44Å; V146-D250 WeakPolarHBondContact CB-OD2 3.37Å; V146-D250 WeakPolarHBondContact CG1-OD2 3.07Å; S147-D250 WeakPolarHBondContact CB-OD1 3.47Å; S147-D250 PolarHBondContact N-OD1 2.91Å; S147-D250 PolarHBondContact N-OD2 2.89Å; S147-D250 PolarHBondContact OG-OD1 2.79Å; S152-D250 PolarHBondContact OG-OD2 2.66Å; V194-D250 HydrophobicContact CB-CB 4.36Å; V194-D250 HydrophobicContact CG2-CB 3.99Å; H196-D250 PolarHBondContact NE2-O 3Å; D248-D250 PolarHBondContact O-N 2.85Å; D248-D250 WeakPolarHBondContact OD1-CA 3.19Å; D248-D250 PolarHBondContact OD1-N 3.39Å
251G98.4Very high98.2Very high30 Ų3016.1 Ų16.131%0.30910%0.095SC..  trans102.25.5178.400000114.5D248 E253D248-G251 PolarHBondContact O-N 2.99Å; D248-G251 PolarHBondContact OD1-N 2.98Å; G251-E253 PolarHBondContact O-N 2.85Å
252H98.7Very high98.2Very high8 Ų816.2 Ų16.24%0.03710%0.095CC..  trans-64.3128.2176.2-66.8-75.7000110.7D86 L144 G145 H196 A247 D248D86-H252 PolarHBondContact O-CE1 3.28Å; L144-H252 HydrophobicContact CD1-CB 4.2Å; G145-H252 PolarHBondContact O-CE1 3.04Å; G145-H252 PolarHBondContact O-NE2 3.17Å; H196-H252 AromaticContact CE1-CE1 3.95Å; H196-H252 AromaticContact CE1-ND1 3.76Å; A247-H252 WeakPolarHBondContact CA-O 3.47Å; D248-H252 HydrophobicContact CB-CB 4.4Å; D248-H252 PolarHBondContact N-O 2.91Å; D248-H252 WeakPolarHBondContact OD1-CB 3.41Å; D248-H252 IonicContact OD1-CD2 2.84Å; D248-H252 PolarHBondContact OD1-CD2 3.44Å; D248-H252 IonicContact OD1-CG 3.17Å; D248-H252 PolarHBondContact OD1-N 3.43Å; D248-H252 IonicContact OD2-CD2 2.68Å
253E98.6Very high98.2Very high34 Ų3419.1 Ų19.116%0.15910%0.104CC..EExtended strand (participates in β ladder)trans-76.7136.9-179.7-58.5-164.1166.900111.9F200 R202 I203 L227 L246 G251F200-E253 HydrophobicContact CE2-CG 4.48Å; F200-E253 WeakPolarHBondContact CE2-OE1 3.1Å; R202-E253 WeakPolarHBondContact CA-O 3.46Å; R202-E253 HydrophobicContact CB-CB 3.97Å; R202-E253 HydrophobicContact CG-CB 3.72Å; R202-E253 WeakPolarHBondContact CG-O 3.4Å; R202-E253 IonicContact CZ-OE2 2.79Å; R202-E253 IonicContact NE-OE2 3.57Å; R202-E253 PolarHBondContact NE-OE2 3.42Å; R202-E253 IonicContact NH2-OE2 3.35Å; R202-E253 PolarHBondContact NH2-OE2 3.12Å; I203-E253 PolarHBondContact N-O 3.01Å; I203-E253 VanDerWaalsContact N-O 3.09Å; L227-E253 HydrophobicContact CD1-CB 4.32Å; L227-E253 HydrophobicContact CD1-CG 3.69Å; L246-E253 WeakPolarHBondContact O-CA 3.43Å; G251-E253 PolarHBondContact O-N 2.85Å
254I98.8Very high98.2Very high0 Ų025.6 Ų25.60%013%0.134CC..EExtended strand (participates in β ladder)trans-129.3127.4-178.8-45.5169.2000109.4Y155 W156 L160 I203 F205 I245 L246 D248 F256Y155-I254 HydrophobicContact CE1-CD1 3.75Å; W156-I254 HydrophobicContact CH2-CB 4.49Å; W156-I254 HydrophobicContact CH2-CD1 3.27Å; W156-I254 HydrophobicContact CH2-CG1 3.57Å; W156-I254 HydrophobicContact CH2-CG2 4.13Å; W156-I254 HydrophobicContact CZ2-CD1 3.4Å; W156-I254 HydrophobicContact CZ2-CG1 3.86Å; W156-I254 HydrophobicContact CZ3-CD1 3.94Å; W156-I254 HydrophobicContact CZ3-CG2 4.46Å; L160-I254 HydrophobicContact CD1-CD1 3.74Å; I203-I254 HydrophobicContact CG2-CG1 4.42Å; I203-I254 HydrophobicContact CG2-CG2 4.44Å; I203-I254 CarbonylContact O-C 3.57Å; I203-I254 WeakPolarHBondContact O-CA 3.41Å; F205-I254 HydrophobicContact CD2-CG2 3.77Å; F205-I254 HydrophobicContact CE2-CG2 3.87Å; I245-I254 CarbonylContact C-O 3.6Å; I245-I254 VanDerWaalsContact CA-O 3.3Å; I245-I254 WeakPolarHBondContact CA-O 3.19Å; L246-I254 HydrophobicContact CB-CB 4.27Å; L246-I254 PolarHBondContact N-O 3Å; L246-I254 PolarHBondContact O-N 3.31Å; D248-I254 HydrophobicContact CB-CD1 3.98Å; I254-F256 HydrophobicContact CG2-CD2 4.15Å; I254-F256 HydrophobicContact CG2-CE2 3.84Å
255C98.5Very high98.1Very high15 Ų1526.2 Ų26.210%0.10114%0.137CC..EExtended strand (participates in β ladder)trans-101.7124.1170.6-178.50000110.3R202 I203 A204 F205 I245R202-C255 HydrophobicContact CG-CB 4.34Å; I203-C255 PolarHBondContact O-N 3.21Å; A204-C255 CarbonylContact C-O 3.47Å; A204-C255 WeakPolarHBondContact CA-O 3.09Å; A204-C255 HydrophobicContact CB-CB 3.95Å; F205-C255 PolarHBondContact N-O 2.92Å; I245-C255 HydrophobicContact CD1-CB 3.72Å
256F98.6Very high98.1Very high0 Ų026.3 Ų26.30%014%0.138CC..EExtended strand (participates in β ladder)trans-102.2127.4159.3-83.5-83.4000109.5R5 L160 F205 L212 I215 V243 V244 L246 I254R5-F256 VanDerWaalsContact NH1-CE1 3.25Å; L160-F256 HydrophobicContact CD1-CE2 4.17Å; L160-F256 HydrophobicContact CD2-CE2 3.76Å; L160-F256 HydrophobicContact CD2-CZ 4.18Å; F205-F256 HydrophobicContact CB-CD1 3.9Å; F205-F256 HydrophobicContact CB-CE1 3.52Å; F205-F256 HydrophobicContact CB-CZ 3.99Å; F205-F256 HydrophobicContact CD2-CE1 4.43Å; F205-F256 HydrophobicContact CD2-CE2 4.38Å; F205-F256 HydrophobicContact CD2-CZ 4.03Å; F205-F256 HydrophobicContact CG-CE1 4.22Å; F205-F256 HydrophobicContact CG-CZ 4.21Å; F205-F256 CarbonylContact O-C 3.59Å; F205-F256 VanDerWaalsContact O-CA 3.32Å; F205-F256 WeakPolarHBondContact O-CA 3.22Å; L212-F256 HydrophobicContact CD2-CB 3.8Å; L212-F256 WeakPolarHBondContact CD2-O 3.38Å; I215-F256 HydrophobicContact CD1-CB 4.16Å; I215-F256 HydrophobicContact CD1-CD1 3.75Å; I215-F256 HydrophobicContact CD1-CD2 4.34Å; I215-F256 HydrophobicContact CD1-CE1 4.29Å; I215-F256 HydrophobicContact CD1-CG 3.8Å; I215-F256 HydrophobicContact CG2-CD2 4.39Å; V243-F256 CarbonylContact C-O 3.59Å; V243-F256 WeakPolarHBondContact CA-O 3.48Å; V244-F256 PolarHBondContact N-O 3.48Å; V244-F256 PolarHBondContact O-N 2.91Å; L246-F256 HydrophobicContact CD1-CD2 4.26Å; L246-F256 HydrophobicContact CD1-CE2 4.43Å; I254-F256 HydrophobicContact CG2-CD2 4.15Å; I254-F256 HydrophobicContact CG2-CE2 3.84Å
257V98.4Very high98Very high5 Ų529 Ų293%0.0316%0.16CC..EExtended strand (participates in β ladder)trans-122.6147.2179.264.90000111.5L8 F205 S206 C207 V241 E242 V243 D259 F262L8-V257 HydrophobicContact CD1-CG1 3.43Å; L8-V257 VanDerWaalsContact CD1-CG1 3.43Å; F205-V257 PolarHBondContact O-N 3.41Å; S206-V257 VanDerWaalsContact CA-O 3.23Å; S206-V257 WeakPolarHBondContact CA-O 3.32Å; C207-V257 PolarHBondContact N-O 3.06Å; V241-V257 HydrophobicContact CB-CG2 3.8Å; V241-V257 HydrophobicContact CG1-CG2 4.28Å; V241-V257 HydrophobicContact CG2-CG2 4.12Å; E242-V257 WeakPolarHBondContact O-CA 3.48Å; E242-V257 WeakPolarHBondContact O-CG2 3.46Å; V243-V257 HydrophobicContact CG1-CB 3.9Å; V243-V257 HydrophobicContact CG1-CG2 3.8Å; V257-D259 PolarHBondContact O-N 3.02Å; V257-F262 HydrophobicContact CG1-CB 4.1Å; V257-F262 HydrophobicContact CG1-CD2 3.87Å; V257-F262 HydrophobicContact CG1-CG 3.97Å; V257-F262 HydrophobicContact CG2-CB 4.11Å; V257-F262 HydrophobicContact CG2-CD2 4.17Å
258G98.2Very high98Very high1 Ų131.9 Ų31.91%0.0118%0.177CC..EExtended strand (participates in β ladder)trans-64.9117.3172.300000111.9C207 E242 E260 F262C207-G258 CarbonylContact O-C 3.45Å; C207-G258 WeakPolarHBondContact O-CA 3.34Å; E242-G258 PolarHBondContact O-N 3.47Å; E242-G258 VanDerWaalsContact O-N 3.1Å; G258-E260 VanDerWaalsContact C-N 3.32Å; G258-E260 PolarHBondContact O-N 2.91Å; G258-F262 WeakPolarHBondContact O-CB 3.26Å; G258-F262 PolarHBondContact O-N 3.29Å
259D98.1Very high97.9Very high28 Ų2833.8 Ų33.815%0.1519%0.188CC..Hα-helixtrans-60.9-38.9-172.2-167.365.5000112.1R6 S206 C207 V257 A261 F262 R263R6-D259 IonicContact CZ-OD1 3.66Å; R6-D259 IonicContact NE-OD1 3.75Å; R6-D259 IonicContact NH2-OD1 2.71Å; R6-D259 PolarHBondContact NH2-OD1 2.93Å; S206-D259 VanDerWaalsContact CB-OD1 3.25Å; S206-D259 WeakPolarHBondContact CB-OD1 3.45Å; S206-D259 PolarHBondContact OG-OD1 2.82Å; C207-D259 PolarHBondContact O-N 3.42Å; V257-D259 PolarHBondContact O-N 3.02Å; D259-A261 PolarHBondContact O-N 2.89Å; D259-F262 PolarHBondContact O-N 3.23Å; D259-R263 WeakPolarHBondContact O-CG 3.28Å; D259-R263 PolarHBondContact O-N 3.14Å; D259-R263 IonicContact OD1-NE 2.77Å; D259-R263 IonicContact OD1-NH2 3.16Å; D259-R263 IonicContact OD2-CZ 3.86Å; D259-R263 IonicContact OD2-NE 2.83Å; D259-R263 PolarHBondContact OD2-NE 2.94Å; D259-R263 IonicContact OD2-NH2 3.85Å; D259-R263 PolarHBondContact OD2-NH2 3.14Å; D259-R263 VanDerWaalsContact OD2-NH2 3.16Å
260E96.9Very high97.8Very high96 Ų9638.8 Ų38.845%0.44922%0.22SC..Hα-helixtrans-62.3-44.5-173.1-56.888.2161.200112.4R209 G258R209-E260 VanDerWaalsContact CB-OE2 3.29Å; R209-E260 WeakPolarHBondContact CB-OE2 3.27Å; R209-E260 PolarHBondContact N-OE1 2.93Å; R209-E260 PolarHBondContact N-OE2 2.94Å; G258-E260 VanDerWaalsContact C-N 3.32Å; G258-E260 PolarHBondContact O-N 2.91Å
261A97.1Very high97.7Very high25 Ų2543.9 Ų43.921%0.20724%0.237CC..Hα-helixtrans-79.2-34.7176.200000111.3T240 V241 D259 R263 Q264 L265T240-A261 WeakPolarHBondContact O-CB 3.45Å; V241-A261 HydrophobicContact CG1-CB 3.94Å; D259-A261 PolarHBondContact O-N 2.89Å; A261-R263 VanDerWaalsContact C-N 3.33Å; A261-R263 PolarHBondContact O-N 2.86Å; A261-Q264 PolarHBondContact O-N 3.01Å; A261-Q264 VanDerWaalsContact O-N 3.15Å; A261-L265 PolarHBondContact O-N 3.35Å
262F98Very high97.5Very high8 Ų842.5 Ų42.54%0.03522%0.223CC..Hα-helixtrans-59.2-43.2177.8-175.8-99.3000111.7L8 V257 G258 D259 Q264 L265 S266L8-F262 HydrophobicContact CB-CZ 4.45Å; L8-F262 HydrophobicContact CD1-CD1 4.04Å; L8-F262 HydrophobicContact CD1-CD2 4.34Å; L8-F262 HydrophobicContact CD1-CE1 3.8Å; L8-F262 HydrophobicContact CD1-CE2 4.12Å; L8-F262 HydrophobicContact CD1-CG 4.31Å; L8-F262 HydrophobicContact CD1-CZ 3.85Å; L8-F262 HydrophobicContact CD2-CD1 4.15Å; L8-F262 HydrophobicContact CD2-CE1 3.8Å; L8-F262 HydrophobicContact CG-CE1 4.25Å; V257-F262 HydrophobicContact CG1-CB 4.1Å; V257-F262 HydrophobicContact CG1-CD2 3.87Å; V257-F262 HydrophobicContact CG1-CG 3.97Å; V257-F262 HydrophobicContact CG2-CB 4.11Å; V257-F262 HydrophobicContact CG2-CD2 4.17Å; G258-F262 WeakPolarHBondContact O-CB 3.26Å; G258-F262 PolarHBondContact O-N 3.29Å; D259-F262 PolarHBondContact O-N 3.23Å; F262-Q264 PolarHBondContact O-N 2.88Å; F262-L265 HydrophobicContact CD2-CD2 4.32Å; F262-L265 CarbonylContact O-C 3.53Å; F262-L265 WeakPolarHBondContact O-CB 3.21Å; F262-L265 PolarHBondContact O-N 3.26Å; F262-S266 VanDerWaalsContact O-CB 3.27Å; F262-S266 WeakPolarHBondContact O-CB 3.44Å; F262-S266 PolarHBondContact O-N 2.87Å; F262-S266 PolarHBondContact O-OG 2.94Å
263R97.6Very high97.3Very high95 Ų9544.9 Ų44.936%0.35824%0.236SC..Hα-helixtrans-57.3-34.9176.5-70.2-175.2-178.9-77-2113.7D65 D259 A261D65-R263 WeakPolarHBondContact OD1-CG 3.29Å; D65-R263 IonicContact OD1-CZ 3.57Å; D65-R263 IonicContact OD1-NH1 3.38Å; D65-R263 PolarHBondContact OD1-NH1 2.88Å; D259-R263 WeakPolarHBondContact O-CG 3.28Å; D259-R263 PolarHBondContact O-N 3.14Å; D259-R263 IonicContact OD1-NE 2.77Å; D259-R263 IonicContact OD1-NH2 3.16Å; D259-R263 IonicContact OD2-CZ 3.86Å; D259-R263 IonicContact OD2-NE 2.83Å; D259-R263 PolarHBondContact OD2-NE 2.94Å; D259-R263 IonicContact OD2-NH2 3.85Å; D259-R263 PolarHBondContact OD2-NH2 3.14Å; D259-R263 VanDerWaalsContact OD2-NH2 3.16Å; A261-R263 VanDerWaalsContact C-N 3.33Å; A261-R263 PolarHBondContact O-N 2.86Å
264Q97.1Very high97.2Very high140 Ų14047.9 Ų47.965%0.65425%0.25SS*.Hα-helixtrans-74.3-41176.1-60.9176.435.900111.2A239 A261 F262A239-Q264 HydrophobicContact CB-CB 3.77Å; A261-Q264 PolarHBondContact O-N 3.01Å; A261-Q264 VanDerWaalsContact O-N 3.15Å; F262-Q264 PolarHBondContact O-N 2.88Å
265L96.6Very high97.2Very high12 Ų1250 Ų506%0.06326%0.261CS..Hα-helixtrans-63.3-41.7176.4172.965.8000112T235 K238 V241 A261 F262 A267T235-L265 HydrophobicContact CG2-CD1 3.96Å; K238-L265 HydrophobicContact CB-CD1 3.64Å; K238-L265 HydrophobicContact CD-CD1 3.75Å; K238-L265 HydrophobicContact CG-CD1 4.34Å; V241-L265 HydrophobicContact CG1-CB 4.04Å; V241-L265 HydrophobicContact CG1-CD2 3.63Å; V241-L265 HydrophobicContact CG1-CG 4.44Å; V241-L265 HydrophobicContact CG2-CD2 4.1Å; A261-L265 PolarHBondContact O-N 3.35Å; F262-L265 HydrophobicContact CD2-CD2 4.32Å; F262-L265 CarbonylContact O-C 3.53Å; F262-L265 WeakPolarHBondContact O-CB 3.21Å; F262-L265 PolarHBondContact O-N 3.26Å; L265-A267 VanDerWaalsContact C-N 3.28Å; L265-A267 PolarHBondContact O-N 2.9Å
266S97.5Very high97.1Very high2 Ų249.7 Ų49.71%0.01426%0.259CS..THydrogen-bonded Turntrans-88.714.6-169.671.50000114E64 F262 V268E64-S266 WeakPolarHBondContact OE2-CB 3.42Å; F262-S266 VanDerWaalsContact O-CB 3.27Å; F262-S266 WeakPolarHBondContact O-CB 3.44Å; F262-S266 PolarHBondContact O-N 2.87Å; F262-S266 PolarHBondContact O-OG 2.94Å; S266-V268 PolarHBondContact O-N 2.84Å
267A97.6Very high97Very high56 Ų5652.9 Ų52.946%0.46328%0.275SS..  trans-59.7132.2175.700000110.2L265 D269L265-A267 VanDerWaalsContact C-N 3.28Å; L265-A267 PolarHBondContact O-N 2.9Å; A267-D269 PolarHBondContact O-N 3.46Å
268V97.9Very high96.9Very high67 Ų6758 Ų5841%0.40630%0.298SS..  trans-62.1126.5177.8178.80000109L33 P63 S266 P270L33-V268 HydrophobicContact CD2-CG2 4.44Å; L33-V268 CarbonylContact O-C 3.59Å; L33-V268 WeakPolarHBondContact O-CA 3.48Å; P63-V268 HydrophobicContact CB-CG2 3.84Å; P63-V268 HydrophobicContact CG-CG2 4.14Å; S266-V268 PolarHBondContact O-N 2.84Å; V268-P270 WeakPolarHBondContact O-CD 3.42Å
269D97.2Very high96.9Very high45 Ų4558.3 Ų58.324%0.24130%0.3CS..  trans-90.2113.7171.2-171.2-18.7000109.3L33 R34 A267 R271 G272 L275L33-D269 PolarHBondContact O-N 2.88Å; R34-D269 HydrophobicContact CB-CB 4.26Å; A267-D269 PolarHBondContact O-N 3.46Å; D269-R271 PolarHBondContact O-N 2.93Å; D269-R271 WeakPolarHBondContact OD1-CA 3.46Å; D269-R271 WeakPolarHBondContact OD1-CB 3.49Å; D269-R271 PolarHBondContact OD1-N 3.12Å; D269-G272 PolarHBondContact O-N 3.48Å; D269-L275 VanDerWaalsContact OD2-CD1 3.24Å; D269-L275 WeakPolarHBondContact OD2-CD1 3.11Å
270P95.5Very high96.7Very high124 Ų12459.2 Ų59.281%0.80530%0.304SS*.THydrogen-bonded Turntrans-57-20.6176.1-23.934.6000113.8V268V268-P270 WeakPolarHBondContact O-CD 3.42Å
271R96.3Very high96.7Very high130 Ų13058 Ų5849%0.49131%0.31SS..THydrogen-bonded Turntrans-93.74.6178.2-57.1178.663.9-155.4-2.4113.1D269 N273 E274 L275D269-R271 PolarHBondContact O-N 2.93Å; D269-R271 WeakPolarHBondContact OD1-CA 3.46Å; D269-R271 WeakPolarHBondContact OD1-CB 3.49Å; D269-R271 PolarHBondContact OD1-N 3.12Å; R271-N273 VanDerWaalsContact C-N 3.27Å; R271-N273 PolarHBondContact O-N 3Å; R271-N273 VanDerWaalsContact O-N 3.13Å; R271-E274 IonicContact CZ-OE1 3.56Å; R271-E274 IonicContact CZ-OE2 2.67Å; R271-E274 IonicContact NE-OE1 2.56Å; R271-E274 IonicContact NE-OE2 3.26Å; R271-E274 PolarHBondContact NE-OE2 3.04Å; R271-E274 IonicContact NH2-OE1 3.68Å; R271-E274 PolarHBondContact NH2-OE1 2.86Å; R271-E274 IonicContact NH2-OE2 2.76Å; R271-E274 WeakPolarHBondContact O-CA 3.21Å; R271-E274 WeakPolarHBondContact O-CB 3.17Å; R271-E274 PolarHBondContact O-N 3.11Å; R271-L275 HydrophobicContact CB-CD1 4.38Å; R271-L275 HydrophobicContact CB-CG 4.23Å; R271-L275 WeakPolarHBondContact O-CG 3.43Å; R271-L275 PolarHBondContact O-N 2.94Å
272G95.4Very high96.6Very high1 Ų162.5 Ų62.51%0.0133%0.326CS..Hα-helixtrans-50-43.1-175.600000114.2I32 D269 L276I32-G272 VanDerWaalsContact CG2-C 3.47Å; I32-G272 WeakPolarHBondContact CG2-O 3.33Å; D269-G272 PolarHBondContact O-N 3.48Å; G272-L276 PolarHBondContact O-N 3.37Å
273N94Very high96.3Very high58 Ų5863.1 Ų63.131%0.3133%0.33SS..Hα-helixtrans-64.3-47.6174.7-75.5-70.4000112.5I32 R271 L275 L276 D277I32-N273 WeakPolarHBondContact CG1-OD1 2.82Å; R271-N273 VanDerWaalsContact C-N 3.27Å; R271-N273 PolarHBondContact O-N 3Å; R271-N273 VanDerWaalsContact O-N 3.13Å; N273-L275 VanDerWaalsContact C-N 3.29Å; N273-L275 PolarHBondContact O-N 2.56Å; N273-L276 PolarHBondContact O-N 3Å; N273-D277 WeakPolarHBondContact O-CB 3.42Å; N273-D277 VanDerWaalsContact O-CG 3.28Å; N273-D277 PolarHBondContact O-N 3.05Å
274E96.9Very high95.9Very high98 Ų9863.8 Ų63.846%0.45834%0.336SS..Hα-helixtrans-59-43178.7-174.7-157.9149.500111R271 K278R271-E274 IonicContact CZ-OE1 3.56Å; R271-E274 IonicContact CZ-OE2 2.67Å; R271-E274 IonicContact NE-OE1 2.56Å; R271-E274 IonicContact NE-OE2 3.26Å; R271-E274 PolarHBondContact NE-OE2 3.04Å; R271-E274 IonicContact NH2-OE1 3.68Å; R271-E274 PolarHBondContact NH2-OE1 2.86Å; R271-E274 IonicContact NH2-OE2 2.76Å; R271-E274 WeakPolarHBondContact O-CA 3.21Å; R271-E274 WeakPolarHBondContact O-CB 3.17Å; R271-E274 PolarHBondContact O-N 3.11Å; E274-K278 WeakPolarHBondContact O-CB 3.37Å; E274-K278 PolarHBondContact O-N 2.92Å
275L97.1Very high95.4Very high45 Ų4557.8 Ų57.824%0.23631%0.309CS..Hα-helixtrans-64.5-47.4179.7-68.3175.2000111.8H35 D269 R271 N273 K278 A279H35-L275 HydrophobicContact CB-CB 4.11Å; D269-L275 VanDerWaalsContact OD2-CD1 3.24Å; D269-L275 WeakPolarHBondContact OD2-CD1 3.11Å; R271-L275 HydrophobicContact CB-CD1 4.38Å; R271-L275 HydrophobicContact CB-CG 4.23Å; R271-L275 WeakPolarHBondContact O-CG 3.43Å; R271-L275 PolarHBondContact O-N 2.94Å; N273-L275 VanDerWaalsContact C-N 3.29Å; N273-L275 PolarHBondContact O-N 2.56Å; L275-K278 PolarHBondContact O-N 2.92Å; L275-A279 WeakPolarHBondContact O-CB 3.26Å; L275-A279 PolarHBondContact O-N 2.69Å
276L97Very high94.8Very high8 Ų862.3 Ų62.34%0.04233%0.333CS..Hα-helixtrans-63.2-47.6176.8176.965.7000111.5A21 I32 T57 G272 N273 K278 A279 M280A21-L276 HydrophobicContact CB-CD2 4.37Å; I32-L276 HydrophobicContact CD1-CD2 3.67Å; I32-L276 HydrophobicContact CG1-CD2 3.84Å; T57-L276 HydrophobicContact CG2-CD1 4.31Å; T57-L276 HydrophobicContact CG2-CD2 4.09Å; G272-L276 PolarHBondContact O-N 3.37Å; N273-L276 PolarHBondContact O-N 3Å; L276-K278 VanDerWaalsContact C-N 3.3Å; L276-K278 PolarHBondContact O-N 2.86Å; L276-A279 PolarHBondContact O-N 2.84Å; L276-M280 HydrophobicContact CD1-CG 4.24Å; L276-M280 HydrophobicContact CD1-SD 4.48Å; L276-M280 HydrophobicContact CG-CE 4.1Å; L276-M280 HydrophobicContact CG-CG 4.48Å; L276-M280 HydrophobicContact CG-SD 4.41Å; L276-M280 WeakPolarHBondContact O-CG 3.33Å; L276-M280 PolarHBondContact O-N 2.86Å
277D96.9Very high94.3Very high66 Ų6667.7 Ų67.735%0.35336%0.358SS..Hα-helixtrans-62-40.5-179-72.3-15.6000110.9R25 N273 M280 A281R25-D277 IonicContact NH1-OD1 3.51Å; R25-D277 PolarHBondContact NH1-OD1 3.38Å; R25-D277 IonicContact NH1-OD2 2.92Å; N273-D277 WeakPolarHBondContact O-CB 3.42Å; N273-D277 VanDerWaalsContact O-CG 3.28Å; N273-D277 PolarHBondContact O-N 3.05Å; D277-M280 PolarHBondContact O-N 2.97Å; D277-M280 WeakPolarHBondContact OD1-CE 3.01Å; D277-A281 WeakPolarHBondContact O-CB 3.3Å; D277-A281 PolarHBondContact O-N 3.49Å
278K97.2Very high93.9Very high114 Ų11471.4 Ų71.450%0.49636%0.361SS..Hα-helixtrans-61.8-49.9173.1-178.5-177.4172.7-1740111.6E274 L275 L276 M280 A281 E282E274-K278 WeakPolarHBondContact O-CB 3.37Å; E274-K278 PolarHBondContact O-N 2.92Å; L275-K278 PolarHBondContact O-N 2.92Å; L276-K278 VanDerWaalsContact C-N 3.3Å; L276-K278 PolarHBondContact O-N 2.86Å; K278-M280 VanDerWaalsContact C-N 3.29Å; K278-M280 PolarHBondContact O-N 2.8Å; K278-A281 PolarHBondContact O-N 2.93Å; K278-A281 VanDerWaalsContact O-N 3.12Å; K278-E282 VanDerWaalsContact CE-CD 3.48Å; K278-E282 WeakPolarHBondContact CE-OE1 3.48Å; K278-E282 HydrophobicContact CG-CG 4.41Å; K278-E282 IonicContact NZ-OE1 3.68Å; K278-E282 WeakPolarHBondContact O-CB 3.39Å; K278-E282 WeakPolarHBondContact O-CG 3.14Å; K278-E282 PolarHBondContact O-N 3.44Å
279A96.2Very high93.3Very high7 Ų769.2 Ų69.26%0.05835%0.346CS..Hα-helixtrans-60.6-38.9179.500000112.1H35 L275 L276 E282 D283H35-A279 WeakPolarHBondContact NE2-CB 3.1Å; L275-A279 WeakPolarHBondContact O-CB 3.26Å; L275-A279 PolarHBondContact O-N 2.69Å; L276-A279 PolarHBondContact O-N 2.84Å; A279-E282 PolarHBondContact O-N 2.72Å; A279-D283 PolarHBondContact O-N 3.04Å
280M95.5Very high92.9Very high47 Ų4770.5 Ų70.523%0.23236%0.362CS..Hα-helixtrans-65.4-39.3174.2-71.3-168.9-59.600112.5R17 A21 L276 D277 K278 D283R17-M280 HydrophobicContact CB-CG 4.39Å; R17-M280 HydrophobicContact CB-SD 4.15Å; A21-M280 HydrophobicContact CB-CE 4.18Å; A21-M280 HydrophobicContact CB-SD 4.19Å; L276-M280 HydrophobicContact CD1-CG 4.24Å; L276-M280 HydrophobicContact CD1-SD 4.48Å; L276-M280 HydrophobicContact CG-CE 4.1Å; L276-M280 HydrophobicContact CG-CG 4.48Å; L276-M280 HydrophobicContact CG-SD 4.41Å; L276-M280 WeakPolarHBondContact O-CG 3.33Å; L276-M280 PolarHBondContact O-N 2.86Å; D277-M280 PolarHBondContact O-N 2.97Å; D277-M280 WeakPolarHBondContact OD1-CE 3.01Å; K278-M280 VanDerWaalsContact C-N 3.29Å; K278-M280 PolarHBondContact O-N 2.8Å; M280-D283 PolarHBondContact O-N 2.88Å
281A95.4Very high92.7Very high69 Ų6973.2 Ų73.257%0.5736%0.362SS*.Hα-helixtrans-69.8-34.6177.700000112.8D277 K278D277-A281 WeakPolarHBondContact O-CB 3.3Å; D277-A281 PolarHBondContact O-N 3.49Å; K278-A281 PolarHBondContact O-N 2.93Å; K278-A281 VanDerWaalsContact O-N 3.12Å
282E95.1Very high92.2Very high120 Ų12070.8 Ų70.856%0.56136%0.358SS*.Hα-helixtrans-79.1-18177.7-71.1178.2168.600113.1K278 A279 K284K278-E282 VanDerWaalsContact CE-CD 3.48Å; K278-E282 WeakPolarHBondContact CE-OE1 3.48Å; K278-E282 HydrophobicContact CG-CG 4.41Å; K278-E282 IonicContact NZ-OE1 3.68Å; K278-E282 WeakPolarHBondContact O-CB 3.39Å; K278-E282 WeakPolarHBondContact O-CG 3.14Å; K278-E282 PolarHBondContact O-N 3.44Å; A279-E282 PolarHBondContact O-N 2.72Å; E282-K284 PolarHBondContact O-N 3.05Å
283D92.6Very high91.8Very high22 Ų2280.3 Ų80.312%0.11840%0.4CS..  trans-67.8118.7175.3-177-66.8000111.9R17 Y76 A279 M280 S285R17-D283 IonicContact CZ-OD2 3.74Å; R17-D283 IonicContact NH2-OD1 3.6Å; R17-D283 IonicContact NH2-OD2 3.87Å; R17-D283 PolarHBondContact NH2-OD2 3.06Å; Y76-D283 WeakPolarHBondContact CD1-OD2 3.42Å; Y76-D283 HydrophobicContact CE1-CB 4.19Å; Y76-D283 WeakPolarHBondContact CE1-OD2 3.09Å; A279-D283 PolarHBondContact O-N 3.04Å; M280-D283 PolarHBondContact O-N 2.88Å; D283-S285 VanDerWaalsContact CG-OG 3.28Å; D283-S285 WeakPolarHBondContact OD1-CA 3.14Å; D283-S285 WeakPolarHBondContact OD1-CB 3.2Å; D283-S285 PolarHBondContact OD1-N 2.75Å; D283-S285 PolarHBondContact OD1-OG 2.88Å; D283-S285 PolarHBondContact OD2-OG 2.86Å
284K89.9Confident91.3Very high108 Ų10882.4 Ų82.447%0.4741%0.409SS..  trans-109.716.2176.3-55.2-57.6177.1-169.70113.4E282 E287 W288E282-K284 PolarHBondContact O-N 3.05Å; K284-E287 VanDerWaalsContact CD-CD 3.47Å; K284-E287 HydrophobicContact CD-CG 4.5Å; K284-E287 WeakPolarHBondContact CD-OE1 3.21Å; K284-E287 WeakPolarHBondContact CD-OE2 3.3Å; K284-E287 IonicContact NZ-OE1 2.86Å; K284-E287 PolarHBondContact NZ-OE1 3.44Å; K284-E287 PolarHBondContact O-N 2.72Å; K284-W288 WeakPolarHBondContact O-CB 3.3Å; K284-W288 PolarHBondContact O-N 2.92Å
285S85.6Confident90.5Very high15 Ų1586.1 Ų86.111%0.10543%0.426CS..Hα-helixtrans-61.9-47.5-178.165.80000111.3D283 E287 W288 F289 K296D283-S285 VanDerWaalsContact CG-OG 3.28Å; D283-S285 WeakPolarHBondContact OD1-CA 3.14Å; D283-S285 WeakPolarHBondContact OD1-CB 3.2Å; D283-S285 PolarHBondContact OD1-N 2.75Å; D283-S285 PolarHBondContact OD1-OG 2.88Å; D283-S285 PolarHBondContact OD2-OG 2.86Å; S285-E287 VanDerWaalsContact C-N 3.33Å; S285-E287 PolarHBondContact O-N 2.86Å; S285-W288 WeakPolarHBondContact O-CB 3.47Å; S285-W288 PolarHBondContact O-N 3.39Å; S285-F289 VanDerWaalsContact O-CD2 3.25Å; S285-F289 WeakPolarHBondContact O-CD2 3.06Å; S285-F289 PolarHBondContact O-N 3.32Å; S285-K296 WeakPolarHBondContact OG-CE 3.35Å; S285-K296 PolarHBondContact OG-NZ 3.1Å
286N84.1Confident89.8Confident106 Ų10685.9 Ų85.957%0.56742%0.423SS*.Hα-helixtrans-59.1-44.3176.7-75.1-17.5000111.9W288 F289 A290 K296N286-W288 VanDerWaalsContact C-N 3.34Å; N286-W288 PolarHBondContact O-N 3.23Å; N286-F289 PolarHBondContact O-N 2.95Å; N286-A290 VanDerWaalsContact O-CB 3.3Å; N286-A290 WeakPolarHBondContact O-CB 2.96Å; N286-A290 PolarHBondContact O-N 3.2Å; N286-K296 WeakPolarHBondContact OD1-CD 3.46Å; N286-K296 WeakPolarHBondContact OD1-CE 3.3Å; N286-K296 PolarHBondContact OD1-NZ 2.53Å
287E87.9Confident89Confident115 Ų11588.8 Ų88.854%0.53744%0.443SS..Hα-helixtrans-62.4-41.5176.9-63.1178.1-152.600111.4K284 S285 K291K284-E287 VanDerWaalsContact CD-CD 3.47Å; K284-E287 HydrophobicContact CD-CG 4.5Å; K284-E287 WeakPolarHBondContact CD-OE1 3.21Å; K284-E287 WeakPolarHBondContact CD-OE2 3.3Å; K284-E287 IonicContact NZ-OE1 2.86Å; K284-E287 PolarHBondContact NZ-OE1 3.44Å; K284-E287 PolarHBondContact O-N 2.72Å; S285-E287 VanDerWaalsContact C-N 3.33Å; S285-E287 PolarHBondContact O-N 2.86Å; E287-K291 VanDerWaalsContact O-CB 3.24Å; E287-K291 WeakPolarHBondContact O-CB 3.48Å; E287-K291 PolarHBondContact O-N 2.85Å
288W87.8Confident88.3Confident134 Ų13488.8 Ų88.851%0.50845%0.451SS..Hα-helixtrans-63.6-48.1177.5-175.695.6000111.8K284 S285 N286 K291 N292 M294K284-W288 WeakPolarHBondContact O-CB 3.3Å; K284-W288 PolarHBondContact O-N 2.92Å; S285-W288 WeakPolarHBondContact O-CB 3.47Å; S285-W288 PolarHBondContact O-N 3.39Å; N286-W288 VanDerWaalsContact C-N 3.34Å; N286-W288 PolarHBondContact O-N 3.23Å; W288-K291 PolarHBondContact O-N 3.33Å; W288-N292 PolarHBondContact O-N 3.21Å; W288-N292 VanDerWaalsContact O-N 3.08Å; W288-N292 PolarHBondContact O-ND2 3.47Å; W288-M294 HydrophobicContact CZ3-SD 4.49Å
289F86.9Confident87.4Confident21 Ų2186.2 Ų86.29%0.09245%0.451CS..Hα-helixtrans-62.5-45.2177.4-85.7-80.9000111.2S285 N286 K291 N292 K293 M294 Q295 K296 P297S285-F289 VanDerWaalsContact O-CD2 3.25Å; S285-F289 WeakPolarHBondContact O-CD2 3.06Å; S285-F289 PolarHBondContact O-N 3.32Å; N286-F289 PolarHBondContact O-N 2.95Å; F289-K291 PolarHBondContact O-N 3.08Å; F289-N292 CarbonylContact O-C 3.52Å; F289-N292 PolarHBondContact O-N 2.87Å; F289-K293 PolarHBondContact O-N 3.49Å; F289-K293 VanDerWaalsContact O-N 3.1Å; F289-M294 CarbonylContact C-O 3.5Å; F289-M294 WeakPolarHBondContact CB-O 3.18Å; F289-M294 HydrophobicContact CD1-CB 3.71Å; F289-M294 HydrophobicContact CE1-CB 4.38Å; F289-M294 HydrophobicContact CE1-CE 4.27Å; F289-M294 PolarHBondContact O-N 3.02Å; F289-M294 VanDerWaalsContact O-O 3.06Å; F289-Q295 VanDerWaalsContact CD1-O 3.3Å; F289-Q295 WeakPolarHBondContact CD1-O 3.47Å; F289-Q295 WeakPolarHBondContact CE1-O 3.5Å; F289-K296 HydrophobicContact CB-CG 4.33Å; F289-K296 HydrophobicContact CD1-CG 4.23Å; F289-K296 HydrophobicContact CD2-CD 4.33Å; F289-K296 HydrophobicContact CD2-CG 3.37Å; F289-K296 HydrophobicContact CE1-CG 4.45Å; F289-K296 HydrophobicContact CE2-CG 3.68Å; F289-K296 HydrophobicContact CG-CG 3.71Å; F289-K296 HydrophobicContact CZ-CG 4.2Å; F289-P297 VanDerWaalsContact CE1-CD 3.45Å
290A87.5Confident86.9Confident72 Ų7290.2 Ų90.260%0.59547%0.471SS*.Hα-helixtrans-60.8-45.5176.700000112.5N286 N292 K293N286-A290 VanDerWaalsContact O-CB 3.3Å; N286-A290 WeakPolarHBondContact O-CB 2.96Å; N286-A290 PolarHBondContact O-N 3.2Å; A290-N292 VanDerWaalsContact C-N 3.25Å; A290-N292 PolarHBondContact O-N 3.4Å; A290-K293 PolarHBondContact O-N 3.18Å
291K91.2Very high86.5Confident181 Ų18192.4 Ų92.479%0.78748%0.484SS*.Hα-helixtrans-60-36.2177.2-177.3179.5177.9-178.20112.2E287 W288 F289 K293E287-K291 VanDerWaalsContact O-CB 3.24Å; E287-K291 WeakPolarHBondContact O-CB 3.48Å; E287-K291 PolarHBondContact O-N 2.85Å; W288-K291 PolarHBondContact O-N 3.33Å; F289-K291 PolarHBondContact O-N 3.08Å; K291-K293 VanDerWaalsContact C-N 3.3Å
292N86.8Confident86Confident79 Ų7993.7 Ų93.742%0.42248%0.479SS..THydrogen-bonded Turntrans-86.94.9177.8-69.5-74000113.5W288 F289 A290 M294W288-N292 PolarHBondContact O-N 3.21Å; W288-N292 VanDerWaalsContact O-N 3.08Å; W288-N292 PolarHBondContact O-ND2 3.47Å; F289-N292 CarbonylContact O-C 3.52Å; F289-N292 PolarHBondContact O-N 2.87Å; A290-N292 VanDerWaalsContact C-N 3.25Å; A290-N292 PolarHBondContact O-N 3.4Å; N292-M294 HydrophobicContact CB-CG 4.27Å; N292-M294 HydrophobicContact CB-SD 4.11Å; N292-M294 PolarHBondContact O-N 2.92Å
293K86.8Confident85.4Confident202 Ų20292.2 Ų92.288%0.87847%0.474SS*.THydrogen-bonded Turntrans54.233.4-175.9-54.2-177.7-178.3179.70113.1F289 A290 K291F289-K293 PolarHBondContact O-N 3.49Å; F289-K293 VanDerWaalsContact O-N 3.1Å; A290-K293 PolarHBondContact O-N 3.18Å; K291-K293 VanDerWaalsContact C-N 3.3Å
294M82.3Confident85Confident101 Ų10196.6 Ų96.650%0.49850%0.496SS..  trans-109.1148177.2-67.9172.567.200109.2W288 F289 N292W288-M294 HydrophobicContact CZ3-SD 4.49Å; F289-M294 CarbonylContact C-O 3.5Å; F289-M294 WeakPolarHBondContact CB-O 3.18Å; F289-M294 HydrophobicContact CD1-CB 3.71Å; F289-M294 HydrophobicContact CE1-CB 4.38Å; F289-M294 HydrophobicContact CE1-CE 4.27Å; F289-M294 PolarHBondContact O-N 3.02Å; F289-M294 VanDerWaalsContact O-O 3.06Å; N292-M294 HydrophobicContact CB-CG 4.27Å; N292-M294 HydrophobicContact CB-SD 4.11Å; N292-M294 PolarHBondContact O-N 2.92Å
295Q81.1Confident84.7Confident177 Ų17795.8 Ų95.883%0.82750%0.498SS*.PPolyproline II helixtrans-86150.4162.5-71-178-10.200108.8F289F289-Q295 VanDerWaalsContact CD1-O 3.3Å; F289-Q295 WeakPolarHBondContact CD1-O 3.47Å; F289-Q295 WeakPolarHBondContact CE1-O 3.5Å
296K82.5Confident84.6Confident40 Ų40101.6 Ų101.617%0.17453%0.526CS..PPolyproline II helixtrans-59.9126168.7-82.9-179.6168.6177.50108.5Y74 S285 N286 F289Y74-K296 PolarHBondContact OH-NZ 3.24Å; S285-K296 WeakPolarHBondContact OG-CE 3.35Å; S285-K296 PolarHBondContact OG-NZ 3.1Å; N286-K296 WeakPolarHBondContact OD1-CD 3.46Å; N286-K296 WeakPolarHBondContact OD1-CE 3.3Å; N286-K296 PolarHBondContact OD1-NZ 2.53Å; F289-K296 HydrophobicContact CB-CG 4.33Å; F289-K296 HydrophobicContact CD1-CG 4.23Å; F289-K296 HydrophobicContact CD2-CD 4.33Å; F289-K296 HydrophobicContact CD2-CG 3.37Å; F289-K296 HydrophobicContact CE1-CG 4.45Å; F289-K296 HydrophobicContact CE2-CG 3.68Å; F289-K296 HydrophobicContact CG-CG 3.71Å; F289-K296 HydrophobicContact CZ-CG 4.2Å
297P80.4Confident84.7Confident69 Ų69101.2 Ų101.245%0.44852%0.523SS..PPolyproline II helixtrans-62.3145-179.625-35.6000111.3G77 G79 F289G77-P297 WeakPolarHBondContact O-CD 3.25Å; G77-P297 VanDerWaalsContact O-CG 3.3Å; G77-P297 WeakPolarHBondContact O-CG 3.46Å; G79-P297 PolarHBondContact N-O 2.77Å; F289-P297 VanDerWaalsContact CE1-CD 3.45Å
298A82.4Confident84.4Confident65 Ų65100.1 Ų100.154%0.53752%0.522SS..BIsolated β-bridgetrans-74.6145.2159.600000109.2E80E80-A298 HydrophobicContact CB-CB 4.02Å; E80-A298 WeakPolarHBondContact O-CA 3.44Å
299A77Confident84.1Confident60 Ų6097 Ų9750%0.49652%0.523SS..  trans-72.4017600000113.2Y50 V78 E80 Y81 T198Y50-A299 HydrophobicContact CE1-CB 4.26Å; Y50-A299 WeakPolarHBondContact OH-CB 3.24Å; V78-A299 HydrophobicContact CG1-CB 3.79Å; E80-A299 PolarHBondContact O-N 3.2Å; Y81-A299 HydrophobicContact CD1-CB 3.42Å; Y81-A299 VanDerWaalsContact CD1-CB 3.42Å; Y81-A299 HydrophobicContact CE1-CB 3.66Å; Y81-A299 HydrophobicContact CG-CB 4.24Å; T198-A299 WeakPolarHBondContact CB-O 3.36Å; T198-A299 VanDerWaalsContact CG2-O 3.28Å; T198-A299 WeakPolarHBondContact CG2-O 3.47Å; T198-A299 PolarHBondContact OG1-O 2.99Å

Retrieved 299 of 299 residues in 500.7 ms (Link to these results)

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