A0A3Q0KEV1_SCHMA Loading...

Glycine--tRNA ligase

AlphaFold DB , UniProt , Accession A0A3Q0KEV1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,278 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
1M39.9Very low66.2Low205 Ų20573.3 Ų73.3100%1.0141%0.414SS*.  0-660-72.9178.5174.400111.7G3 V4M1-G3 VanDerWaalsContact C-N 3.26Å; M1-G3 PolarHBondContact O-N 3.44Å; M1-V4 WeakPolarHBondContact O-CB 3.47Å; M1-V4 PolarHBondContact O-N 2.83Å
2N40.9Very low67.7Low138 Ų13870.3 Ų70.374%0.73841%0.405SS*.Hα-helixtrans-48.7-33.5-170.3-55.725.9000116.8T5 D6N2-T5 WeakPolarHBondContact CA-OG1 3.39Å; N2-T5 PolarHBondContact O-OG1 2.95Å; N2-D6 PolarHBondContact O-N 3.24Å
3G49.8Very low69.2Low28 Ų2871.2 Ų71.229%0.28940%0.402SS..Hα-helixtrans-69.7-26.4176.600000114.8M1 D6 I7 L55M1-G3 VanDerWaalsContact C-N 3.26Å; M1-G3 PolarHBondContact O-N 3.44Å; G3-D6 PolarHBondContact O-N 3.36Å; G3-I7 PolarHBondContact O-N 3.16Å; G3-L55 WeakPolarHBondContact O-CD1 3.4Å
4V54.7Low70.2Confident89 Ų8966.1 Ų66.154%0.53937%0.373SS..Hα-helixtrans-74.7-40.5178.3-174.30000110.5M1 D6 I7 D8M1-V4 WeakPolarHBondContact O-CB 3.47Å; M1-V4 PolarHBondContact O-N 2.83Å; V4-D6 PolarHBondContact O-N 2.91Å; V4-I7 VanDerWaalsContact O-CG2 3.23Å; V4-I7 WeakPolarHBondContact O-CG2 3.36Å; V4-D8 PolarHBondContact O-N 3.22Å
5T58.7Low71.1Confident101 Ų10168.2 Ų68.262%0.6237%0.373SS*.Hα-helixtrans-66.3-23.9174.642.90000113.5N2 S9N2-T5 WeakPolarHBondContact CA-OG1 3.39Å; N2-T5 PolarHBondContact O-OG1 2.95Å; T5-S9 WeakPolarHBondContact O-CB 3.48Å; T5-S9 PolarHBondContact O-N 3.36Å
6D74.3Confident72Confident66 Ų6670.4 Ų70.435%0.35338%0.384SS..Hα-helixtrans-75.4-50.9178.3-166.527000111N2 G3 V4 D8 S9 L10 K51N2-D6 PolarHBondContact O-N 3.24Å; G3-D6 PolarHBondContact O-N 3.36Å; V4-D6 PolarHBondContact O-N 2.91Å; D6-D8 PolarHBondContact O-N 3.46Å; D6-S9 WeakPolarHBondContact O-CB 3.29Å; D6-S9 PolarHBondContact O-N 3.18Å; D6-L10 PolarHBondContact O-N 3.19Å; D6-K51 WeakPolarHBondContact OD2-CD 3.33Å; D6-K51 WeakPolarHBondContact OD2-CE 3.28Å; D6-K51 IonicContact OD2-NZ 3.96Å; D6-K51 PolarHBondContact OD2-NZ 3.25Å
7I80.7Confident72.9Confident15 Ų1567.9 Ų67.98%0.07737%0.369CS..Hα-helixtrans-64.4-41179.5-173.7172.4000113.1G3 V4 S9 L10 R11 L48 K51 E52 L55G3-I7 PolarHBondContact O-N 3.16Å; V4-I7 VanDerWaalsContact O-CG2 3.23Å; V4-I7 WeakPolarHBondContact O-CG2 3.36Å; I7-S9 VanDerWaalsContact C-N 3.28Å; I7-S9 PolarHBondContact O-N 3.11Å; I7-L10 WeakPolarHBondContact O-CB 3.37Å; I7-L10 PolarHBondContact O-N 3.02Å; I7-L10 VanDerWaalsContact O-N 3.12Å; I7-R11 VanDerWaalsContact CD1-NH2 3.3Å; I7-R11 PolarHBondContact O-N 3.13Å; I7-L48 HydrophobicContact CD1-CD1 4.25Å; I7-L48 HydrophobicContact CG1-CD1 3.67Å; I7-K51 HydrophobicContact CB-CG 4.35Å; I7-E52 HydrophobicContact CD1-CG 3.47Å; I7-E52 VanDerWaalsContact CD1-CG 3.47Å; I7-E52 HydrophobicContact CG1-CG 4.5Å; I7-L55 HydrophobicContact CB-CD1 3.77Å; I7-L55 HydrophobicContact CD1-CD1 4.1Å; I7-L55 HydrophobicContact CG1-CD1 4.48Å; I7-L55 HydrophobicContact CG2-CD1 3.88Å
8D80Confident73.3Confident74 Ų7464.1 Ų64.140%0.39635%0.348SS..Hα-helixtrans-72.8-23.8179.2-65.5-30.2000112V4 D6 R11 A12V4-D8 PolarHBondContact O-N 3.22Å; D6-D8 PolarHBondContact O-N 3.46Å; D8-R11 IonicContact OD1-CZ 2.64Å; D8-R11 IonicContact OD1-NH1 2.66Å; D8-R11 PolarHBondContact OD1-NH1 3.32Å; D8-A12 PolarHBondContact O-N 3.43Å; D8-A12 VanDerWaalsContact O-N 3.11Å
9S84.3Confident74Confident52 Ų5264 Ų6436%0.36435%0.348SS..Hα-helixtrans-69.7-36166.8-175.90000112.5T5 D6 I7 K13T5-S9 WeakPolarHBondContact O-CB 3.48Å; T5-S9 PolarHBondContact O-N 3.36Å; D6-S9 WeakPolarHBondContact O-CB 3.29Å; D6-S9 PolarHBondContact O-N 3.18Å; I7-S9 VanDerWaalsContact C-N 3.28Å; I7-S9 PolarHBondContact O-N 3.11Å; S9-K13 WeakPolarHBondContact O-CG 3.39Å; S9-K13 PolarHBondContact O-N 3.23Å; S9-K13 VanDerWaalsContact O-N 3.15Å
10L82.9Confident74.6Confident20 Ų2064 Ų6411%0.10535%0.346CS..Hα-helixtrans-66.9-43.5173.3-71.4166.6000111.4D6 I7 A12 K13 V14 A47 L48 K51D6-L10 PolarHBondContact O-N 3.19Å; I7-L10 WeakPolarHBondContact O-CB 3.37Å; I7-L10 PolarHBondContact O-N 3.02Å; I7-L10 VanDerWaalsContact O-N 3.12Å; L10-A12 VanDerWaalsContact C-N 3.33Å; L10-A12 PolarHBondContact O-N 3.11Å; L10-K13 PolarHBondContact O-N 2.85Å; L10-K13 VanDerWaalsContact O-N 3.17Å; L10-V14 WeakPolarHBondContact O-CG2 3.13Å; L10-V14 PolarHBondContact O-N 2.7Å; L10-A47 HydrophobicContact CD2-CB 4.04Å; L10-L48 HydrophobicContact CB-CB 4.39Å; L10-L48 HydrophobicContact CB-CD1 4.14Å; L10-K51 HydrophobicContact CD1-CB 3.66Å; L10-K51 HydrophobicContact CD1-CD 4.29Å; L10-K51 HydrophobicContact CD1-CG 3.83Å
11R82.2Confident75Confident18 Ų1861 Ų617%0.06833%0.33CS..Hα-helixtrans-57.1-44173.7-69.8-171.9178.5110.27.6112.5I7 D8 V14 R15 L48 E52 G327 R329I7-R11 VanDerWaalsContact CD1-NH2 3.3Å; I7-R11 PolarHBondContact O-N 3.13Å; D8-R11 IonicContact OD1-CZ 2.64Å; D8-R11 IonicContact OD1-NH1 2.66Å; D8-R11 PolarHBondContact OD1-NH1 3.32Å; R11-V14 PolarHBondContact O-N 2.86Å; R11-R15 PolarHBondContact O-N 3.28Å; R11-L48 HydrophobicContact CG-CD1 3.73Å; R11-L48 HydrophobicContact CG-CD2 3.93Å; R11-E52 IonicContact CZ-OE1 2.8Å; R11-E52 IonicContact NE-OE1 2.83Å; R11-E52 IonicContact NH2-OE1 2.73Å; R11-E52 PolarHBondContact NH2-OE1 2.87Å; R11-G327 WeakPolarHBondContact CB-O 3.45Å; R11-G327 VanDerWaalsContact CD-O 3.3Å; R11-G327 WeakPolarHBondContact CD-O 3.42Å; R11-G327 WeakPolarHBondContact CG-O 3.41Å; R11-R329 VanDerWaalsContact NH1-NH2 3.2Å
12A84.3Confident76.9Confident37 Ų3755.3 Ų55.331%0.30630%0.298SS..Hα-helixtrans-59.2-46.4174.800000112.2D8 L10 V14 R15 D16D8-A12 PolarHBondContact O-N 3.43Å; D8-A12 VanDerWaalsContact O-N 3.11Å; L10-A12 VanDerWaalsContact C-N 3.33Å; L10-A12 PolarHBondContact O-N 3.11Å; A12-V14 PolarHBondContact O-N 3.31Å; A12-R15 WeakPolarHBondContact O-CB 3.42Å; A12-R15 PolarHBondContact O-N 2.99Å; A12-R15 VanDerWaalsContact O-N 3.13Å; A12-D16 PolarHBondContact O-N 3.39Å
13K86.9Confident79.1Confident83 Ų8355 Ų5536%0.36129%0.286SS..Hα-helixtrans-62.5-38.6177.1-68.8164.4-171.8163.60113.2S9 L10 Q17 Y44S9-K13 WeakPolarHBondContact O-CG 3.39Å; S9-K13 PolarHBondContact O-N 3.23Å; S9-K13 VanDerWaalsContact O-N 3.15Å; L10-K13 PolarHBondContact O-N 2.85Å; L10-K13 VanDerWaalsContact O-N 3.17Å; K13-Q17 VanDerWaalsContact O-CB 3.23Å; K13-Q17 WeakPolarHBondContact O-CB 3.45Å; K13-Q17 PolarHBondContact O-N 3.41Å; K13-Q17 VanDerWaalsContact O-N 3.15Å; K13-Y44 HydrophobicContact CB-CD1 4.08Å; K13-Y44 HydrophobicContact CB-CD2 4.23Å; K13-Y44 HydrophobicContact CB-CE1 4.21Å; K13-Y44 HydrophobicContact CB-CE2 4.34Å; K13-Y44 HydrophobicContact CB-CG 4.11Å; K13-Y44 HydrophobicContact CD-CD1 4.46Å; K13-Y44 HydrophobicContact CD-CE1 4.21Å
14V83Confident80.9Confident0 Ų055.1 Ų55.10%028%0.28CS..Hα-helixtrans-60.8-48.1172.9176.30000109.6L10 R11 A12 Q17 G18 L41 K45 L48 Q324 M325L10-V14 WeakPolarHBondContact O-CG2 3.13Å; L10-V14 PolarHBondContact O-N 2.7Å; R11-V14 PolarHBondContact O-N 2.86Å; A12-V14 PolarHBondContact O-N 3.31Å; V14-Q17 PolarHBondContact O-N 3.22Å; V14-G18 PolarHBondContact O-N 3.33Å; V14-L41 HydrophobicContact CB-CD1 4.39Å; V14-L41 HydrophobicContact CG1-CD1 3.71Å; V14-L41 WeakPolarHBondContact O-CD1 3.44Å; V14-K45 HydrophobicContact CG1-CG 3.96Å; V14-K45 HydrophobicContact CG2-CG 4.38Å; V14-L48 HydrophobicContact CG2-CB 4.34Å; V14-L48 HydrophobicContact CG2-CD2 4.12Å; V14-Q324 WeakPolarHBondContact CG1-O 3.33Å; V14-M325 VanDerWaalsContact O-O 3.11Å
15R83.1Confident82Confident97 Ų9755 Ų5537%0.36627%0.272SS..Hα-helixtrans-58.3-55.4178.4-166.3-178.7-60.9158.22113.1R11 A12 Q17 G18 D19 S326 E328R11-R15 PolarHBondContact O-N 3.28Å; A12-R15 WeakPolarHBondContact O-CB 3.42Å; A12-R15 PolarHBondContact O-N 2.99Å; A12-R15 VanDerWaalsContact O-N 3.13Å; R15-Q17 PolarHBondContact O-N 3.45Å; R15-G18 PolarHBondContact O-N 3.41Å; R15-D19 PolarHBondContact O-N 3.36Å; R15-S326 VanDerWaalsContact CB-O 3.23Å; R15-S326 WeakPolarHBondContact CB-O 3.29Å; R15-S326 WeakPolarHBondContact CG-O 3.06Å; R15-S326 PolarHBondContact NE-O 3.16Å; R15-S326 VanDerWaalsContact NE-O 3.09Å; R15-E328 IonicContact CZ-OE1 3.05Å; R15-E328 IonicContact NE-OE1 2.75Å; R15-E328 IonicContact NH2-OE1 3.71Å; R15-E328 PolarHBondContact NH2-OE1 2.73Å
16D85.9Confident83.2Confident103 Ų10357 Ų5755%0.55128%0.275SS*.Hα-helixtrans-56.8-41.2-177.5-63.5-21000110.8A12 I20A12-D16 PolarHBondContact O-N 3.39Å; D16-I20 WeakPolarHBondContact O-CG1 3.39Å; D16-I20 PolarHBondContact O-N 3.03Å
17Q87Confident83.8Confident28 Ų2860 Ų6013%0.13129%0.286CS..Hα-helixtrans-74.4-31.6177.8-169.360.746.500112.9K13 V14 R15 I20 V21 A37 A40 L41 Y44K13-Q17 VanDerWaalsContact O-CB 3.23Å; K13-Q17 WeakPolarHBondContact O-CB 3.45Å; K13-Q17 PolarHBondContact O-N 3.41Å; K13-Q17 VanDerWaalsContact O-N 3.15Å; V14-Q17 PolarHBondContact O-N 3.22Å; R15-Q17 PolarHBondContact O-N 3.45Å; Q17-I20 PolarHBondContact O-N 3.34Å; Q17-V21 WeakPolarHBondContact O-CG2 3.33Å; Q17-V21 PolarHBondContact O-N 3.36Å; Q17-V21 VanDerWaalsContact O-N 3.13Å; Q17-A37 PolarHBondContact NE2-O 3.17Å; Q17-A40 HydrophobicContact CG-CB 3.9Å; Q17-L41 HydrophobicContact CB-CD1 4.09Å; Q17-L41 HydrophobicContact CG-CB 3.9Å; Q17-L41 HydrophobicContact CG-CD1 4.32Å; Q17-Y44 HydrophobicContact CB-CD2 3.79Å; Q17-Y44 HydrophobicContact CB-CE2 3.95Å; Q17-Y44 HydrophobicContact CG-CD2 3.96Å; Q17-Y44 HydrophobicContact CG-CE2 4.05Å
18G81.4Confident83.9Confident0 Ų068.2 Ų68.20%032%0.322CS..Hα-helixtrans-68.5-38.7175.400000113.3V14 R15 I20 V21 R22 M325V14-G18 PolarHBondContact O-N 3.33Å; R15-G18 PolarHBondContact O-N 3.41Å; G18-I20 VanDerWaalsContact C-N 3.34Å; G18-V21 PolarHBondContact O-N 3.44Å; G18-R22 PolarHBondContact O-N 3.31Å; G18-M325 WeakPolarHBondContact CA-O 3.44Å
19D85.6Confident84Confident62 Ų6265.6 Ų65.633%0.33231%0.31SS..Hα-helixtrans-71.4-28.7175.3-71.4-26.2000112.1R15 R22 R23R15-D19 PolarHBondContact O-N 3.36Å; D19-R22 IonicContact OD1-NH1 3.8Å; D19-R22 PolarHBondContact OD1-NH1 2.78Å; D19-R23 WeakPolarHBondContact O-CB 3.33Å; D19-R23 PolarHBondContact O-N 3.4Å; D19-R23 VanDerWaalsContact O-N 3.09Å
20I87Confident83.9Confident63 Ų6368 Ų6832%0.32332%0.324SS..Hα-helixtrans-62.6-46.3166.5-69167.1000110.7D16 Q17 G18 R22 R23 L24 A37D16-I20 WeakPolarHBondContact O-CG1 3.39Å; D16-I20 PolarHBondContact O-N 3.03Å; Q17-I20 PolarHBondContact O-N 3.34Å; G18-I20 VanDerWaalsContact C-N 3.34Å; I20-R22 PolarHBondContact O-N 3.2Å; I20-R23 PolarHBondContact O-N 3.32Å; I20-L24 HydrophobicContact CG2-CD1 3.79Å; I20-L24 HydrophobicContact CG2-CG 4.35Å; I20-L24 WeakPolarHBondContact O-CG 3.27Å; I20-L24 PolarHBondContact O-N 3.37Å; I20-A37 HydrophobicContact CG2-CB 4.1Å
21V81.5Confident83.5Confident1 Ų172.3 Ų72.31%0.00635%0.347CS..Hα-helixtrans-64.9-36.7178.9172.40000112.4Q17 G18 K25 L34 A37 I38 L41 M325Q17-V21 WeakPolarHBondContact O-CG2 3.33Å; Q17-V21 PolarHBondContact O-N 3.36Å; Q17-V21 VanDerWaalsContact O-N 3.13Å; G18-V21 PolarHBondContact O-N 3.44Å; V21-K25 HydrophobicContact CG1-CD 4.46Å; V21-K25 WeakPolarHBondContact O-CG 3.34Å; V21-K25 PolarHBondContact O-N 2.81Å; V21-L34 HydrophobicContact CG1-CD1 4.16Å; V21-A37 HydrophobicContact CG2-CB 3.7Å; V21-A37 WeakPolarHBondContact CG2-O 3.44Å; V21-I38 HydrophobicContact CB-CG1 4.5Å; V21-I38 HydrophobicContact CG1-CD1 4.27Å; V21-I38 HydrophobicContact CG1-CG1 3.6Å; V21-I38 HydrophobicContact CG2-CG1 3.99Å; V21-L41 HydrophobicContact CG2-CD2 4.39Å; V21-M325 HydrophobicContact CB-CE 3.61Å; V21-M325 HydrophobicContact CG1-CE 3.5Å; V21-M325 VanDerWaalsContact CG1-CE 3.5Å; V21-M325 HydrophobicContact CG2-CE 4.39Å
22R80.9Confident83.2Confident87 Ų8777.2 Ų77.233%0.32838%0.375SS..Hα-helixtrans-59.9-54172-80.7-177.9172.2142.9-6.7111.2G18 D19 I20 L24 K25 E26G18-R22 PolarHBondContact O-N 3.31Å; D19-R22 IonicContact OD1-NH1 3.8Å; D19-R22 PolarHBondContact OD1-NH1 2.78Å; I20-R22 PolarHBondContact O-N 3.2Å; R22-L24 VanDerWaalsContact C-N 3.34Å; R22-L24 PolarHBondContact O-N 2.77Å; R22-K25 WeakPolarHBondContact O-CB 3.5Å; R22-K25 PolarHBondContact O-N 3.37Å; R22-E26 WeakPolarHBondContact O-CG 3.04Å; R22-E26 PolarHBondContact O-N 2.87Å
23R86.6Confident82.9Confident132 Ų13277.1 Ų77.150%0.49837%0.374SS..Hα-helixtrans-56.9-45-179-165.5-174.2-53.1138.713.5112.5D19 I20 K25 E26 E27D19-R23 WeakPolarHBondContact O-CB 3.33Å; D19-R23 PolarHBondContact O-N 3.4Å; D19-R23 VanDerWaalsContact O-N 3.09Å; I20-R23 PolarHBondContact O-N 3.32Å; R23-K25 VanDerWaalsContact C-N 3.26Å; R23-K25 PolarHBondContact O-N 3.12Å; R23-E26 PolarHBondContact O-N 3.34Å; R23-E27 WeakPolarHBondContact CD-OE1 3.3Å; R23-E27 HydrophobicContact CG-CG 4.23Å; R23-E27 VanDerWaalsContact CG-OE1 3.29Å; R23-E27 WeakPolarHBondContact CG-OE1 3.43Å; R23-E27 WeakPolarHBondContact O-CB 3.37Å; R23-E27 VanDerWaalsContact O-CG 3.31Å; R23-E27 WeakPolarHBondContact O-CG 3.45Å; R23-E27 PolarHBondContact O-N 3.21Å
24L86.9Confident82.4Confident30 Ų3074.9 Ų74.916%0.15737%0.366CS..Hα-helixtrans-63-29.6178-70.3170000113.3I20 R22 K28 A29 L34 A37I20-L24 HydrophobicContact CG2-CD1 3.79Å; I20-L24 HydrophobicContact CG2-CG 4.35Å; I20-L24 WeakPolarHBondContact O-CG 3.27Å; I20-L24 PolarHBondContact O-N 3.37Å; R22-L24 VanDerWaalsContact C-N 3.34Å; R22-L24 PolarHBondContact O-N 2.77Å; L24-K28 PolarHBondContact O-N 3.48Å; L24-A29 HydrophobicContact CB-CB 4Å; L24-A29 HydrophobicContact CD2-CB 3.51Å; L24-A29 HydrophobicContact CG-CB 4.35Å; L24-A29 VanDerWaalsContact O-CB 3.32Å; L24-A29 WeakPolarHBondContact O-CB 3.38Å; L24-A29 PolarHBondContact O-N 3.11Å; L24-L34 HydrophobicContact CB-CD1 4.13Å; L24-A37 HydrophobicContact CD1-CB 3.44Å; L24-A37 VanDerWaalsContact CD1-CB 3.44Å
25K78.9Confident81.9Confident87 Ų8779.6 Ų79.638%0.37839%0.386SS..Hα-helixtrans-74.3-44172.6-70.3172.4173.5-175.30111.9V21 R22 R23 E27 K28 L34 S377V21-K25 HydrophobicContact CG1-CD 4.46Å; V21-K25 WeakPolarHBondContact O-CG 3.34Å; V21-K25 PolarHBondContact O-N 2.81Å; R22-K25 WeakPolarHBondContact O-CB 3.5Å; R22-K25 PolarHBondContact O-N 3.37Å; R23-K25 VanDerWaalsContact C-N 3.26Å; R23-K25 PolarHBondContact O-N 3.12Å; K25-E27 VanDerWaalsContact C-N 3.34Å; K25-K28 PolarHBondContact O-N 2.83Å; K25-K28 VanDerWaalsContact O-N 3.15Å; K25-L34 HydrophobicContact CG-CD1 3.73Å; K25-L34 HydrophobicContact CG-CD2 4.1Å; K25-S377 PolarHBondContact NZ-OG 3.09Å
26E83.8Confident81.6Confident143 Ų14380.1 Ų80.167%0.66839%0.393SS*.Hα-helixtrans-62.2-41.6177.8-69.3159.7-158.400111.5R22 R23 K28R22-E26 WeakPolarHBondContact O-CG 3.04Å; R22-E26 PolarHBondContact O-N 2.87Å; R23-E26 PolarHBondContact O-N 3.34Å; E26-K28 PolarHBondContact O-N 3.5Å
27E87.3Confident81.3Confident127 Ų12775.6 Ų75.659%0.59337%0.37SS*.THydrogen-bonded Turntrans-74.2-7175.8-69.7172.5173.200113.8R23 K25 A29R23-E27 WeakPolarHBondContact CD-OE1 3.3Å; R23-E27 HydrophobicContact CG-CG 4.23Å; R23-E27 VanDerWaalsContact CG-OE1 3.29Å; R23-E27 WeakPolarHBondContact CG-OE1 3.43Å; R23-E27 WeakPolarHBondContact O-CB 3.37Å; R23-E27 VanDerWaalsContact O-CG 3.31Å; R23-E27 WeakPolarHBondContact O-CG 3.45Å; R23-E27 PolarHBondContact O-N 3.21Å; K25-E27 VanDerWaalsContact C-N 3.34Å; E27-A29 VanDerWaalsContact C-N 3.25Å; E27-A29 PolarHBondContact O-N 3.28Å
28K82.5Confident80.8Confident189 Ų18975.2 Ų75.282%0.82237%0.369SS*.THydrogen-bonded Turntrans50.344.2-171.1-59.1-178.1-179178.80112.6L24 K25 E26L24-K28 PolarHBondContact O-N 3.48Å; K25-K28 PolarHBondContact O-N 2.83Å; K25-K28 VanDerWaalsContact O-N 3.15Å; E26-K28 PolarHBondContact O-N 3.5Å
29A81.7Confident80.4Confident18 Ų1875.3 Ų75.315%0.14937%0.37CS..  trans-60.3149.8-179.800000111.9L24 E27 D31L24-A29 HydrophobicContact CB-CB 4Å; L24-A29 HydrophobicContact CD2-CB 3.51Å; L24-A29 HydrophobicContact CG-CB 4.35Å; L24-A29 VanDerWaalsContact O-CB 3.32Å; L24-A29 WeakPolarHBondContact O-CB 3.38Å; L24-A29 PolarHBondContact O-N 3.11Å; E27-A29 VanDerWaalsContact C-N 3.25Å; E27-A29 PolarHBondContact O-N 3.28Å; A29-D31 PolarHBondContact O-N 2.95Å
30P82.1Confident80Confident102 Ų10273.1 Ų73.166%0.66236%0.36SS*.  trans-60.1138.4-17724.3-34.9000112.3N32 A33 L34P30-N32 PolarHBondContact O-N 3.15Å; P30-A33 PolarHBondContact O-N 3.1Å; P30-L34 PolarHBondContact O-N 3.46Å
31D74.8Confident79.7Confident111 Ų11170.3 Ų70.359%0.59435%0.345SS*.Hα-helixtrans-40.8-41.1-171.1-71.25.4000115.4A29 L34 K35A29-D31 PolarHBondContact O-N 2.95Å; D31-L34 PolarHBondContact O-N 2.98Å; D31-K35 WeakPolarHBondContact O-CB 3.26Å; D31-K35 VanDerWaalsContact O-CG 3.25Å; D31-K35 WeakPolarHBondContact O-CG 3.47Å; D31-K35 PolarHBondContact O-N 2.79Å
32N76.1Confident79.4Confident121 Ų12172.9 Ų72.965%0.64736%0.356SS*.Hα-helixtrans-61.2-47.2-179.4-69.32000111.8P30 L34 K35 E36P30-N32 PolarHBondContact O-N 3.15Å; N32-L34 VanDerWaalsContact C-N 3.32Å; N32-L34 PolarHBondContact O-N 2.95Å; N32-K35 PolarHBondContact O-N 2.71Å; N32-E36 WeakPolarHBondContact O-CG 3.38Å; N32-E36 PolarHBondContact O-N 3.45Å
33A78.1Confident79.1Confident36 Ų3670 Ų7030%0.29835%0.351SS..Hα-helixtrans-65.5-37.2179.300000111.7P30 A37P30-A33 PolarHBondContact O-N 3.1Å; A33-A37 WeakPolarHBondContact O-CB 3.39Å; A33-A37 PolarHBondContact O-N 3.05Å; A33-A37 VanDerWaalsContact O-N 3.09Å
34L75.7Confident78.9Confident35 Ų3568 Ų6818%0.18334%0.344CS..Hα-helixtrans-66.3-43.8175.2-179.257000111.6V21 L24 K25 P30 D31 N32 A37 I38V21-L34 HydrophobicContact CG1-CD1 4.16Å; L24-L34 HydrophobicContact CB-CD1 4.13Å; K25-L34 HydrophobicContact CG-CD1 3.73Å; K25-L34 HydrophobicContact CG-CD2 4.1Å; P30-L34 PolarHBondContact O-N 3.46Å; D31-L34 PolarHBondContact O-N 2.98Å; N32-L34 VanDerWaalsContact C-N 3.32Å; N32-L34 PolarHBondContact O-N 2.95Å; L34-A37 PolarHBondContact O-N 3.49Å; L34-I38 HydrophobicContact CD1-CD1 3.78Å; L34-I38 HydrophobicContact CD1-CG1 4.2Å; L34-I38 HydrophobicContact CG-CD1 3.82Å; L34-I38 VanDerWaalsContact O-CB 3.32Å; L34-I38 WeakPolarHBondContact O-CB 3.16Å; L34-I38 VanDerWaalsContact O-CG1 3.25Å; L34-I38 WeakPolarHBondContact O-CG1 3.45Å; L34-I38 PolarHBondContact O-N 2.96Å
35K73.7Confident78.3Confident99 Ų9967.1 Ų67.143%0.4334%0.339SS..Hα-helixtrans-59.8-48.3174.2-75169-176.4173.70111.7D31 N32 A37 I38 S39D31-K35 WeakPolarHBondContact O-CB 3.26Å; D31-K35 VanDerWaalsContact O-CG 3.25Å; D31-K35 WeakPolarHBondContact O-CG 3.47Å; D31-K35 PolarHBondContact O-N 2.79Å; N32-K35 PolarHBondContact O-N 2.71Å; K35-A37 PolarHBondContact O-N 3.45Å; K35-I38 PolarHBondContact O-N 3.36Å; K35-S39 WeakPolarHBondContact O-CB 3.24Å; K35-S39 PolarHBondContact O-N 3.26Å
36E77Confident78.1Confident109 Ų10966.1 Ų66.151%0.50934%0.335SS..Hα-helixtrans-57.2-47.9177.5-71.5-165.6146.400112N32 I38 S39 A40 Q188N32-E36 WeakPolarHBondContact O-CG 3.38Å; N32-E36 PolarHBondContact O-N 3.45Å; E36-I38 PolarHBondContact O-N 3.3Å; E36-S39 WeakPolarHBondContact O-CB 3.39Å; E36-S39 PolarHBondContact O-N 2.61Å; E36-A40 PolarHBondContact O-N 2.79Å; E36-Q188 PolarHBondContact OE1-NE2 3.01Å
37A79.4Confident77.8Confident7 Ų761 Ų616%0.05832%0.317CS..Hα-helixtrans-67-37-17900000113Q17 I20 V21 L24 A33 L34 K35 A40 L41Q17-A37 PolarHBondContact NE2-O 3.17Å; I20-A37 HydrophobicContact CG2-CB 4.1Å; V21-A37 HydrophobicContact CG2-CB 3.7Å; V21-A37 WeakPolarHBondContact CG2-O 3.44Å; L24-A37 HydrophobicContact CD1-CB 3.44Å; L24-A37 VanDerWaalsContact CD1-CB 3.44Å; A33-A37 WeakPolarHBondContact O-CB 3.39Å; A33-A37 PolarHBondContact O-N 3.05Å; A33-A37 VanDerWaalsContact O-N 3.09Å; L34-A37 PolarHBondContact O-N 3.49Å; K35-A37 PolarHBondContact O-N 3.45Å; A37-A40 PolarHBondContact O-N 2.74Å; A37-L41 PolarHBondContact O-N 2.72Å; A37-L41 VanDerWaalsContact O-N 3.17Å
38I76.1Confident77.4Confident20 Ų2055 Ų5510%0.10329%0.289CS..Hα-helixtrans-65-44.4173.5-78.7171.3000111V21 L34 K35 E36 A40 L41 K42 N378V21-I38 HydrophobicContact CB-CG1 4.5Å; V21-I38 HydrophobicContact CG1-CD1 4.27Å; V21-I38 HydrophobicContact CG1-CG1 3.6Å; V21-I38 HydrophobicContact CG2-CG1 3.99Å; L34-I38 HydrophobicContact CD1-CD1 3.78Å; L34-I38 HydrophobicContact CD1-CG1 4.2Å; L34-I38 HydrophobicContact CG-CD1 3.82Å; L34-I38 VanDerWaalsContact O-CB 3.32Å; L34-I38 WeakPolarHBondContact O-CB 3.16Å; L34-I38 VanDerWaalsContact O-CG1 3.25Å; L34-I38 WeakPolarHBondContact O-CG1 3.45Å; L34-I38 PolarHBondContact O-N 2.96Å; K35-I38 PolarHBondContact O-N 3.36Å; E36-I38 PolarHBondContact O-N 3.3Å; I38-A40 VanDerWaalsContact C-N 3.33Å; I38-A40 PolarHBondContact O-N 3.21Å; I38-L41 WeakPolarHBondContact O-CB 3.5Å; I38-L41 PolarHBondContact O-N 3.01Å; I38-K42 PolarHBondContact O-N 3.09Å; I38-N378 HydrophobicContact CD1-CB 4.2Å; I38-N378 HydrophobicContact CG2-CB 3.76Å; I38-N378 WeakPolarHBondContact CG2-ND2 3.2Å; I38-N378 WeakPolarHBondContact CG2-OD1 3.44Å
39S72.7Confident76.9Confident3 Ų347.9 Ų47.92%0.02126%0.26CS..Hα-helixtrans-61.1-42.2176.2-111.50000111.6K35 E36 L41 K42 A43 V187 N191K35-S39 WeakPolarHBondContact O-CB 3.24Å; K35-S39 PolarHBondContact O-N 3.26Å; E36-S39 WeakPolarHBondContact O-CB 3.39Å; E36-S39 PolarHBondContact O-N 2.61Å; S39-L41 VanDerWaalsContact C-N 3.27Å; S39-L41 PolarHBondContact O-N 3.09Å; S39-K42 PolarHBondContact O-N 3.12Å; S39-A43 PolarHBondContact O-N 2.73Å; S39-A43 VanDerWaalsContact O-N 3.08Å; S39-V187 WeakPolarHBondContact CB-O 3Å; S39-V187 PolarHBondContact OG-O 2.81Å; S39-N191 PolarHBondContact OG-ND2 2.97Å
40A77.6Confident76.6Confident16 Ų1650.6 Ų50.613%0.13227%0.272CS..Hα-helixtrans-62.2-39.1177.900000111.2Q17 E36 A37 I38 A43 Y44 V187Q17-A40 HydrophobicContact CG-CB 3.9Å; E36-A40 PolarHBondContact O-N 2.79Å; A37-A40 PolarHBondContact O-N 2.74Å; I38-A40 VanDerWaalsContact C-N 3.33Å; I38-A40 PolarHBondContact O-N 3.21Å; A40-A43 PolarHBondContact O-N 2.73Å; A40-Y44 WeakPolarHBondContact O-CD2 3.31Å; A40-Y44 PolarHBondContact O-N 2.93Å; A40-Y44 VanDerWaalsContact O-N 3.08Å; A40-V187 HydrophobicContact CB-CG1 4.04Å
41L79.5Confident76.3Confident3 Ų347 Ų472%0.01625%0.246CC..Hα-helixtrans-66.2-43.8175.4-173.360.9000112.7V14 Q17 V21 A37 I38 S39 A43 Y44 K45 M325V14-L41 HydrophobicContact CB-CD1 4.39Å; V14-L41 HydrophobicContact CG1-CD1 3.71Å; V14-L41 WeakPolarHBondContact O-CD1 3.44Å; Q17-L41 HydrophobicContact CB-CD1 4.09Å; Q17-L41 HydrophobicContact CG-CB 3.9Å; Q17-L41 HydrophobicContact CG-CD1 4.32Å; V21-L41 HydrophobicContact CG2-CD2 4.39Å; A37-L41 PolarHBondContact O-N 2.72Å; A37-L41 VanDerWaalsContact O-N 3.17Å; I38-L41 WeakPolarHBondContact O-CB 3.5Å; I38-L41 PolarHBondContact O-N 3.01Å; S39-L41 VanDerWaalsContact C-N 3.27Å; S39-L41 PolarHBondContact O-N 3.09Å; L41-A43 VanDerWaalsContact C-N 3.27Å; L41-A43 PolarHBondContact O-N 3.33Å; L41-Y44 PolarHBondContact O-N 3.45Å; L41-K45 HydrophobicContact CG-CD 4.14Å; L41-K45 WeakPolarHBondContact O-CB 3.4Å; L41-K45 VanDerWaalsContact O-CG 3.31Å; L41-K45 WeakPolarHBondContact O-CG 3.23Å; L41-K45 PolarHBondContact O-N 3.27Å; L41-M325 HydrophobicContact CD2-CE 3.26Å; L41-M325 HydrophobicContact CD2-SD 3.28Å; L41-M325 WeakPolarHBondContact CD2-SD 3.19Å
42K75.3Confident76.3Confident55 Ų5543.4 Ų43.424%0.23923%0.226CC..Hα-helixtrans-56.2-40.6174.1-84.2-178.7135.1-173.30111.9I38 S39 K45 K46 D190 N378 E379I38-K42 PolarHBondContact O-N 3.09Å; S39-K42 PolarHBondContact O-N 3.12Å; K42-K45 PolarHBondContact O-N 3Å; K42-K46 PolarHBondContact O-N 3.4Å; K42-D190 IonicContact NZ-OD2 3.61Å; K42-D190 PolarHBondContact NZ-OD2 3.48Å; K42-N378 WeakPolarHBondContact CE-ND2 3.35Å; K42-E379 VanDerWaalsContact CE-OE1 3.25Å; K42-E379 WeakPolarHBondContact CE-OE1 3.37Å
43A76.4Confident76.1Confident26 Ų2641 Ų4122%0.21521%0.212CC..Hα-helixtrans-69.5-42.6177.500000113.1S39 A40 L41 K45 K46 A47 V187S39-A43 PolarHBondContact O-N 2.73Å; S39-A43 VanDerWaalsContact O-N 3.08Å; A40-A43 PolarHBondContact O-N 2.73Å; L41-A43 VanDerWaalsContact C-N 3.27Å; L41-A43 PolarHBondContact O-N 3.33Å; A43-K45 VanDerWaalsContact C-N 3.31Å; A43-K45 PolarHBondContact O-N 3.35Å; A43-K46 PolarHBondContact O-N 2.77Å; A43-A47 WeakPolarHBondContact O-CB 3.36Å; A43-A47 PolarHBondContact O-N 3.17Å; A43-V187 HydrophobicContact CB-CB 4.36Å; A43-V187 HydrophobicContact CB-CG2 3.41Å; A43-V187 VanDerWaalsContact CB-CG2 3.41Å
44Y80.8Confident75.8Confident90 Ų9044.8 Ų44.835%0.35322%0.224SC..Hα-helixtrans-65.2-35174.3-67.1-44.4000112.2K13 Q17 A40 L41 A47 L48K13-Y44 HydrophobicContact CB-CD1 4.08Å; K13-Y44 HydrophobicContact CB-CD2 4.23Å; K13-Y44 HydrophobicContact CB-CE1 4.21Å; K13-Y44 HydrophobicContact CB-CE2 4.34Å; K13-Y44 HydrophobicContact CB-CG 4.11Å; K13-Y44 HydrophobicContact CD-CD1 4.46Å; K13-Y44 HydrophobicContact CD-CE1 4.21Å; Q17-Y44 HydrophobicContact CB-CD2 3.79Å; Q17-Y44 HydrophobicContact CB-CE2 3.95Å; Q17-Y44 HydrophobicContact CG-CD2 3.96Å; Q17-Y44 HydrophobicContact CG-CE2 4.05Å; A40-Y44 WeakPolarHBondContact O-CD2 3.31Å; A40-Y44 PolarHBondContact O-N 2.93Å; A40-Y44 VanDerWaalsContact O-N 3.08Å; L41-Y44 PolarHBondContact O-N 3.45Å; Y44-A47 PolarHBondContact O-N 3.11Å; Y44-L48 WeakPolarHBondContact O-CB 3.24Å; Y44-L48 PolarHBondContact O-N 3.01Å
45K75.3Confident75.5Confident13 Ų1346.6 Ų46.66%0.05723%0.233CC..Hα-helixtrans-62.1-54171.8-75.3172.6175.2-1780111.4V14 L41 K42 A43 A47 L48 D49 Q324 L376V14-K45 HydrophobicContact CG1-CG 3.96Å; V14-K45 HydrophobicContact CG2-CG 4.38Å; L41-K45 HydrophobicContact CG-CD 4.14Å; L41-K45 WeakPolarHBondContact O-CB 3.4Å; L41-K45 VanDerWaalsContact O-CG 3.31Å; L41-K45 WeakPolarHBondContact O-CG 3.23Å; L41-K45 PolarHBondContact O-N 3.27Å; K42-K45 PolarHBondContact O-N 3Å; A43-K45 VanDerWaalsContact C-N 3.31Å; A43-K45 PolarHBondContact O-N 3.35Å; K45-A47 VanDerWaalsContact C-N 3.26Å; K45-A47 PolarHBondContact O-N 3.36Å; K45-L48 CarbonylContact O-C 3.53Å; K45-L48 WeakPolarHBondContact O-CA 3.28Å; K45-L48 WeakPolarHBondContact O-CB 3.34Å; K45-L48 PolarHBondContact O-N 3.44Å; K45-D49 PolarHBondContact O-N 3.5Å; K45-D49 VanDerWaalsContact O-OD2 3.1Å; K45-Q324 WeakPolarHBondContact CE-O 3.42Å; K45-L376 HydrophobicContact CD-CD1 4.12Å; K45-L376 VanDerWaalsContact NZ-CD2 3.27Å
46K74.6Confident75.1Confident65 Ų6543.4 Ų43.428%0.28322%0.223SC..Hα-helixtrans-54.1-43.4173.9177.1174-176.8-74.30111.8K42 A43 L48 D49 D50 E166K42-K46 PolarHBondContact O-N 3.4Å; A43-K46 PolarHBondContact O-N 2.77Å; K46-L48 VanDerWaalsContact C-N 3.31Å; K46-L48 PolarHBondContact O-N 3.17Å; K46-D49 PolarHBondContact O-N 3.13Å; K46-D50 WeakPolarHBondContact CE-OD2 3.24Å; K46-D50 WeakPolarHBondContact CG-OD2 3.24Å; K46-D50 IonicContact NZ-OD1 3.42Å; K46-D50 IonicContact NZ-OD2 2.65Å; K46-D50 PolarHBondContact NZ-OD2 2.95Å; K46-D50 VanDerWaalsContact O-CB 3.26Å; K46-D50 WeakPolarHBondContact O-CB 3.22Å; K46-D50 PolarHBondContact O-N 2.97Å; K46-E166 IonicContact NZ-OE1 2.64Å; K46-E166 PolarHBondContact NZ-OE1 3.28Å
47A77.3Confident74Confident36 Ų3644.2 Ų44.230%0.29824%0.238SC..Hα-helixtrans-64.8-34.417800000112.7L10 A43 Y44 K45 K51L10-A47 HydrophobicContact CD2-CB 4.04Å; A43-A47 WeakPolarHBondContact O-CB 3.36Å; A43-A47 PolarHBondContact O-N 3.17Å; Y44-A47 PolarHBondContact O-N 3.11Å; K45-A47 VanDerWaalsContact C-N 3.26Å; K45-A47 PolarHBondContact O-N 3.36Å; A47-K51 VanDerWaalsContact O-CB 3.25Å; A47-K51 WeakPolarHBondContact O-CB 3.44Å; A47-K51 PolarHBondContact O-N 3.1Å; A47-K51 VanDerWaalsContact O-N 3.11Å
48L79.7Confident72.9Confident1 Ų152.1 Ų52.11%0.00527%0.271CS..Hα-helixtrans-69.4-46.6172.2177.261.3000111.5I7 L10 R11 V14 Y44 K45 K46 K51 E52I7-L48 HydrophobicContact CD1-CD1 4.25Å; I7-L48 HydrophobicContact CG1-CD1 3.67Å; L10-L48 HydrophobicContact CB-CB 4.39Å; L10-L48 HydrophobicContact CB-CD1 4.14Å; R11-L48 HydrophobicContact CG-CD1 3.73Å; R11-L48 HydrophobicContact CG-CD2 3.93Å; V14-L48 HydrophobicContact CG2-CB 4.34Å; V14-L48 HydrophobicContact CG2-CD2 4.12Å; Y44-L48 WeakPolarHBondContact O-CB 3.24Å; Y44-L48 PolarHBondContact O-N 3.01Å; K45-L48 CarbonylContact O-C 3.53Å; K45-L48 WeakPolarHBondContact O-CA 3.28Å; K45-L48 WeakPolarHBondContact O-CB 3.34Å; K45-L48 PolarHBondContact O-N 3.44Å; K46-L48 VanDerWaalsContact C-N 3.31Å; K46-L48 PolarHBondContact O-N 3.17Å; L48-K51 CarbonylContact O-C 3.59Å; L48-K51 PolarHBondContact O-N 3.36Å; L48-E52 HydrophobicContact CD1-CG 4.34Å; L48-E52 WeakPolarHBondContact O-CB 3.42Å; L48-E52 WeakPolarHBondContact O-CG 3.48Å; L48-E52 PolarHBondContact O-N 2.58Å
49D71.4Confident72.2Confident39 Ų3954 Ų5421%0.20928%0.281CS..Hα-helixtrans-62.8-46.2176.6-70.5-64.8000111.6K45 K46 K51 E52 I53 R371K45-D49 PolarHBondContact O-N 3.5Å; K45-D49 VanDerWaalsContact O-OD2 3.1Å; K46-D49 PolarHBondContact O-N 3.13Å; D49-K51 VanDerWaalsContact C-N 3.26Å; D49-K51 PolarHBondContact O-N 2.71Å; D49-E52 CarbonylContact O-C 3.2Å; D49-E52 PolarHBondContact O-N 3.22Å; D49-I53 VanDerWaalsContact O-CG1 3.3Å; D49-I53 WeakPolarHBondContact O-CG1 3.43Å; D49-I53 PolarHBondContact O-N 2.9Å; D49-R371 IonicContact OD1-NH1 3.11Å; D49-R371 IonicContact OD1-NH2 3.83Å
50D74.5Confident71.3Confident76 Ų7660.4 Ų60.441%0.40632%0.323SS..Hα-helixtrans-57.1-40174-74.1-26.2000110.7K46 I53 E54K46-D50 WeakPolarHBondContact CE-OD2 3.24Å; K46-D50 WeakPolarHBondContact CG-OD2 3.24Å; K46-D50 IonicContact NZ-OD1 3.42Å; K46-D50 IonicContact NZ-OD2 2.65Å; K46-D50 PolarHBondContact NZ-OD2 2.95Å; K46-D50 VanDerWaalsContact O-CB 3.26Å; K46-D50 WeakPolarHBondContact O-CB 3.22Å; K46-D50 PolarHBondContact O-N 2.97Å; D50-I53 PolarHBondContact O-N 3.39Å; D50-E54 PolarHBondContact O-N 2.8Å
51K77Confident70.7Confident25 Ų2562.9 Ų62.911%0.10934%0.343CS..Hα-helixtrans-73.7-36.3176.8-162.977.8-153.2-177.70112.6D6 I7 L10 A47 L48 D49 I53 E54 L55D6-K51 WeakPolarHBondContact OD2-CD 3.33Å; D6-K51 WeakPolarHBondContact OD2-CE 3.28Å; D6-K51 IonicContact OD2-NZ 3.96Å; D6-K51 PolarHBondContact OD2-NZ 3.25Å; I7-K51 HydrophobicContact CB-CG 4.35Å; L10-K51 HydrophobicContact CD1-CB 3.66Å; L10-K51 HydrophobicContact CD1-CD 4.29Å; L10-K51 HydrophobicContact CD1-CG 3.83Å; A47-K51 VanDerWaalsContact O-CB 3.25Å; A47-K51 WeakPolarHBondContact O-CB 3.44Å; A47-K51 PolarHBondContact O-N 3.1Å; A47-K51 VanDerWaalsContact O-N 3.11Å; L48-K51 CarbonylContact O-C 3.59Å; L48-K51 PolarHBondContact O-N 3.36Å; D49-K51 VanDerWaalsContact C-N 3.26Å; D49-K51 PolarHBondContact O-N 2.71Å; K51-I53 VanDerWaalsContact C-N 3.27Å; K51-I53 PolarHBondContact O-N 3.36Å; K51-E54 WeakPolarHBondContact CE-OE1 3.18Å; K51-E54 VanDerWaalsContact CE-OE2 3.31Å; K51-E54 WeakPolarHBondContact CE-OE2 3.3Å; K51-E54 IonicContact NZ-OE1 3.95Å; K51-E54 PolarHBondContact NZ-OE1 3.37Å; K51-E54 IonicContact NZ-OE2 3.8Å; K51-E54 PolarHBondContact NZ-OE2 3.04Å; K51-E54 PolarHBondContact O-N 2.89Å; K51-L55 HydrophobicContact CG-CD1 3.91Å; K51-L55 HydrophobicContact CG-CG 4.37Å; K51-L55 WeakPolarHBondContact O-CB 3.42Å; K51-L55 WeakPolarHBondContact O-CG 3.46Å; K51-L55 PolarHBondContact O-N 2.92Å
52E75Confident71Confident36 Ų3664.9 Ų64.917%0.16835%0.352CS..Hα-helixtrans-66.4-30.4172.3-79.1-170.1-179.400111.5I7 R11 L48 D49 S56I7-E52 HydrophobicContact CD1-CG 3.47Å; I7-E52 VanDerWaalsContact CD1-CG 3.47Å; I7-E52 HydrophobicContact CG1-CG 4.5Å; R11-E52 IonicContact CZ-OE1 2.8Å; R11-E52 IonicContact NE-OE1 2.83Å; R11-E52 IonicContact NH2-OE1 2.73Å; R11-E52 PolarHBondContact NH2-OE1 2.87Å; L48-E52 HydrophobicContact CD1-CG 4.34Å; L48-E52 WeakPolarHBondContact O-CB 3.42Å; L48-E52 WeakPolarHBondContact O-CG 3.48Å; L48-E52 PolarHBondContact O-N 2.58Å; D49-E52 CarbonylContact O-C 3.2Å; D49-E52 PolarHBondContact O-N 3.22Å; E52-S56 WeakPolarHBondContact O-CA 3.42Å; E52-S56 WeakPolarHBondContact O-CB 3.5Å; E52-S56 PolarHBondContact O-N 3.38Å; E52-S56 PolarHBondContact O-OG 3.39Å
53I70.1Confident71.5Confident70 Ų7065.1 Ų65.136%0.35936%0.356SS..Hα-helixtrans-72.7-39.8169.7-66.7162.8000111.4D49 D50 K51D49-I53 VanDerWaalsContact O-CG1 3.3Å; D49-I53 WeakPolarHBondContact O-CG1 3.43Å; D49-I53 PolarHBondContact O-N 2.9Å; D50-I53 PolarHBondContact O-N 3.39Å; K51-I53 VanDerWaalsContact C-N 3.27Å; K51-I53 PolarHBondContact O-N 3.36Å
54E72.1Confident72.2Confident116 Ų11668 Ų6854%0.54236%0.361SS..Hα-helixtrans-63-40.7175.1-167.7-162.1127.800112.4D50 K51D50-E54 PolarHBondContact O-N 2.8Å; K51-E54 WeakPolarHBondContact CE-OE1 3.18Å; K51-E54 VanDerWaalsContact CE-OE2 3.31Å; K51-E54 WeakPolarHBondContact CE-OE2 3.3Å; K51-E54 IonicContact NZ-OE1 3.95Å; K51-E54 PolarHBondContact NZ-OE1 3.37Å; K51-E54 IonicContact NZ-OE2 3.8Å; K51-E54 PolarHBondContact NZ-OE2 3.04Å; K51-E54 PolarHBondContact O-N 2.89Å
55L70.9Confident72.6Confident74 Ų7465.7 Ų65.739%0.38736%0.364SS..Hα-helixtrans-92.6-12.1-177.1-65.2174.2000114.1G3 I7 K51G3-L55 WeakPolarHBondContact O-CD1 3.4Å; I7-L55 HydrophobicContact CB-CD1 3.77Å; I7-L55 HydrophobicContact CD1-CD1 4.1Å; I7-L55 HydrophobicContact CG1-CD1 4.48Å; I7-L55 HydrophobicContact CG2-CD1 3.88Å; K51-L55 HydrophobicContact CG-CD1 3.91Å; K51-L55 HydrophobicContact CG-CG 4.37Å; K51-L55 WeakPolarHBondContact O-CB 3.42Å; K51-L55 WeakPolarHBondContact O-CG 3.46Å; K51-L55 PolarHBondContact O-N 2.92Å
56S63.7Low73.4Confident32 Ų3268.2 Ų68.222%0.22438%0.375CS..SBendtrans-55.8142.3171.6-81.70000109.6E52 K58 Q393E52-S56 WeakPolarHBondContact O-CA 3.42Å; E52-S56 WeakPolarHBondContact O-CB 3.5Å; E52-S56 PolarHBondContact O-N 3.38Å; E52-S56 PolarHBondContact O-OG 3.39Å; S56-K58 PolarHBondContact O-N 2.9Å; S56-Q393 PolarHBondContact OG-NE2 3.32Å
57P53.7Low74.3Confident126 Ų12665.1 Ų65.182%0.81836%0.362SS*.  trans-57.2105.6169.8-21.433000108.9D59P57-D59 VanDerWaalsContact C-N 3.33Å; P57-D59 PolarHBondContact O-N 3.02Å
58K57.3Low75.1Confident172 Ų17265.7 Ų65.775%0.74836%0.359SS*.  trans-62.5102.3167.4-70.1-177.1-179.1178.90106.2S56 P60S56-K58 PolarHBondContact O-N 2.9Å; K58-P60 WeakPolarHBondContact O-CD 3.44Å
59D61.5Low75.7Confident59 Ų5970.9 Ų70.932%0.31639%0.386SS..  trans-50104.7178.1-172-25.1000108.2P57 A61 F62 R369P57-D59 VanDerWaalsContact C-N 3.33Å; P57-D59 PolarHBondContact O-N 3.02Å; D59-A61 PolarHBondContact O-N 3.44Å; D59-A61 PolarHBondContact OD1-N 3.22Å; D59-F62 HydrophobicContact CB-CB 3.99Å; D59-F62 PolarHBondContact O-N 3.15Å; D59-R369 IonicContact OD2-CZ 3.87Å; D59-R369 IonicContact OD2-NH1 2.84Å; D59-R369 IonicContact OD2-NH2 2.65Å; D59-R369 PolarHBondContact OD2-NH2 2.81Å
60P53.6Low76.8Confident138 Ų13869.1 Ų69.190%0.89638%0.377SS*.THydrogen-bonded Turntrans-72.6-8-165.629.7-35.1000112K58K58-P60 WeakPolarHBondContact O-CD 3.44Å
61A65.5Low77.8Confident68 Ų6865.5 Ų65.556%0.56236%0.357SS*.THydrogen-bonded Turntrans-94.3-11.1172.800000113.4D59D59-A61 PolarHBondContact O-N 3.44Å; D59-A61 PolarHBondContact OD1-N 3.22Å
62F84.9Confident78.6Confident45 Ų4568.5 Ų68.520%0.19737%0.371CS..  trans-89.8121.5-178.2-173.7-103.9000113.1D59 R64 L67 E533 F536D59-F62 HydrophobicContact CB-CB 3.99Å; D59-F62 PolarHBondContact O-N 3.15Å; F62-R64 HydrophobicContact CE1-CB 3.86Å; F62-R64 HydrophobicContact CZ-CB 4.12Å; F62-L67 HydrophobicContact CE2-CB 4.42Å; F62-L67 HydrophobicContact CE2-CD2 3.91Å; F62-L67 HydrophobicContact CZ-CB 4.48Å; F62-L67 HydrophobicContact CZ-CD2 3.87Å; F62-E533 HydrophobicContact CD2-CG 4.37Å; F62-E533 HydrophobicContact CE1-CG 4.08Å; F62-E533 HydrophobicContact CE2-CB 4.47Å; F62-E533 HydrophobicContact CE2-CG 3.68Å; F62-E533 HydrophobicContact CZ-CB 4.38Å; F62-E533 HydrophobicContact CZ-CG 3.51Å; F62-F536 HydrophobicContact CD2-CB 4.49Å; F62-F536 AromaticContact CD2-CD1 3.94Å; F62-F536 HydrophobicContact CD2-CD1 3.94Å; F62-F536 HydrophobicContact CE2-CB 4.15Å; F62-F536 AromaticContact CE2-CD1 3.92Å; F62-F536 HydrophobicContact CE2-CD1 3.92Å; F62-F536 HydrophobicContact CE2-CG 4.36Å
63D86.7Confident79.5Confident61 Ų6170.9 Ų70.933%0.32638%0.381SS..  trans-128103.5178.3-178.6-23.4000109.2G65 K66 L67D63-G65 PolarHBondContact O-N 3.31Å; D63-G65 WeakPolarHBondContact OD1-CA 3.46Å; D63-G65 PolarHBondContact OD1-N 3Å; D63-K66 HydrophobicContact CB-CB 4.04Å; D63-K66 HydrophobicContact CB-CD 4.01Å; D63-K66 HydrophobicContact CB-CG 4.19Å; D63-K66 PolarHBondContact O-N 3.11Å; D63-K66 PolarHBondContact OD1-N 3.41Å; D63-K66 WeakPolarHBondContact OD2-CD 3.18Å; D63-K66 VanDerWaalsContact OD2-CE 3.24Å; D63-K66 WeakPolarHBondContact OD2-CE 3.49Å; D63-K66 VanDerWaalsContact OD2-CG 3.23Å; D63-K66 WeakPolarHBondContact OD2-CG 3.42Å; D63-K66 IonicContact OD2-NZ 3.91Å; D63-L67 PolarHBondContact O-N 3.4Å
64R90Very high80.7Confident87 Ų8769.5 Ų69.533%0.32837%0.373SS..Hα-helixtrans-60.7-32.3177.9-175.2172.863.9-137.9-0.4112.2F62 L67 E68 S395F62-R64 HydrophobicContact CE1-CB 3.86Å; F62-R64 HydrophobicContact CZ-CB 4.12Å; R64-L67 PolarHBondContact O-N 2.96Å; R64-E68 HydrophobicContact CG-CG 4.22Å; R64-E68 IonicContact NE-OE1 3.99Å; R64-E68 WeakPolarHBondContact O-CB 3.47Å; R64-E68 PolarHBondContact O-N 3.16Å; R64-S395 PolarHBondContact NH1-O 2.87Å; R64-S395 PolarHBondContact NH1-OG 3.32Å
65G89.9Confident81.8Confident40 Ų4068.6 Ų68.641%0.41237%0.367SS..Hα-helixtrans-64.1-52177.300000110.9D63 L67 E68 D69D63-G65 PolarHBondContact O-N 3.31Å; D63-G65 WeakPolarHBondContact OD1-CA 3.46Å; D63-G65 PolarHBondContact OD1-N 3Å; G65-L67 VanDerWaalsContact C-N 3.26Å; G65-L67 PolarHBondContact O-N 3.26Å; G65-E68 PolarHBondContact O-N 3.22Å; G65-D69 WeakPolarHBondContact O-CB 3.32Å; G65-D69 PolarHBondContact O-N 3.28Å
66K92.1Very high83.1Confident67 Ų6765.1 Ų65.129%0.29135%0.349SS..Hα-helixtrans-61.5-31.9174.9-70.5175-173.1177.30112.7D63 L70 F536 E543D63-K66 HydrophobicContact CB-CB 4.04Å; D63-K66 HydrophobicContact CB-CD 4.01Å; D63-K66 HydrophobicContact CB-CG 4.19Å; D63-K66 PolarHBondContact O-N 3.11Å; D63-K66 PolarHBondContact OD1-N 3.41Å; D63-K66 WeakPolarHBondContact OD2-CD 3.18Å; D63-K66 VanDerWaalsContact OD2-CE 3.24Å; D63-K66 WeakPolarHBondContact OD2-CE 3.49Å; D63-K66 VanDerWaalsContact OD2-CG 3.23Å; D63-K66 WeakPolarHBondContact OD2-CG 3.42Å; D63-K66 IonicContact OD2-NZ 3.91Å; K66-L70 VanDerWaalsContact O-CB 3.31Å; K66-L70 WeakPolarHBondContact O-CB 3.42Å; K66-L70 PolarHBondContact O-N 3.46Å; K66-L70 VanDerWaalsContact O-N 3.07Å; K66-F536 HydrophobicContact CB-CE1 4.37Å; K66-F536 HydrophobicContact CB-CZ 3.8Å; K66-E543 IonicContact NZ-OE2 2.59Å; K66-E543 PolarHBondContact NZ-OE2 3.32Å
67L94.2Very high84.6Confident0 Ų063.9 Ų63.90%034%0.339CS..Hα-helixtrans-68.3-55.1172.7174.259.1000112F62 D63 R64 G65 D69 L70 L71 F532 E533 F536 L548F62-L67 HydrophobicContact CE2-CB 4.42Å; F62-L67 HydrophobicContact CE2-CD2 3.91Å; F62-L67 HydrophobicContact CZ-CB 4.48Å; F62-L67 HydrophobicContact CZ-CD2 3.87Å; D63-L67 PolarHBondContact O-N 3.4Å; R64-L67 PolarHBondContact O-N 2.96Å; G65-L67 VanDerWaalsContact C-N 3.26Å; G65-L67 PolarHBondContact O-N 3.26Å; L67-D69 VanDerWaalsContact C-N 3.29Å; L67-D69 PolarHBondContact O-N 3.27Å; L67-L70 WeakPolarHBondContact O-CA 3.44Å; L67-L70 WeakPolarHBondContact O-CB 3.38Å; L67-L70 PolarHBondContact O-N 3.09Å; L67-L71 HydrophobicContact CD1-CD1 3.75Å; L67-L71 HydrophobicContact CD1-CD2 4.26Å; L67-L71 HydrophobicContact CD1-CG 3.82Å; L67-L71 HydrophobicContact CG-CD1 3.88Å; L67-L71 HydrophobicContact CG-CG 4.35Å; L67-L71 WeakPolarHBondContact O-CG 3.48Å; L67-L71 PolarHBondContact O-N 3.39Å; L67-F532 HydrophobicContact CD1-CB 4.39Å; L67-E533 HydrophobicContact CD2-CB 4.16Å; L67-F536 HydrophobicContact CB-CD1 4.33Å; L67-F536 HydrophobicContact CB-CD2 4.05Å; L67-F536 HydrophobicContact CB-CE1 4.45Å; L67-F536 HydrophobicContact CB-CE2 4.16Å; L67-F536 HydrophobicContact CB-CG 4.12Å; L67-F536 HydrophobicContact CB-CZ 4.35Å; L67-F536 HydrophobicContact CD1-CB 4.04Å; L67-F536 HydrophobicContact CD1-CD2 3.58Å; L67-F536 HydrophobicContact CD1-CE2 4.26Å; L67-F536 HydrophobicContact CD1-CG 3.97Å; L67-F536 HydrophobicContact CD2-CB 4.44Å; L67-F536 HydrophobicContact CG-CD2 4.38Å; L67-F536 HydrophobicContact CG-CG 4.47Å; L67-L548 HydrophobicContact CD1-CD2 4.14Å
68E92.8Very high86.6Confident48 Ų4860.2 Ų60.222%0.22431%0.313CS..Hα-helixtrans-58.3-42.6180-79.5-170.1-132.900111.7R64 G65 L70 L71 K72R64-E68 HydrophobicContact CG-CG 4.22Å; R64-E68 IonicContact NE-OE1 3.99Å; R64-E68 WeakPolarHBondContact O-CB 3.47Å; R64-E68 PolarHBondContact O-N 3.16Å; G65-E68 PolarHBondContact O-N 3.22Å; E68-L70 VanDerWaalsContact C-N 3.34Å; E68-L70 PolarHBondContact O-N 3.14Å; E68-L71 PolarHBondContact O-N 3.43Å; E68-K72 WeakPolarHBondContact O-CB 3.38Å; E68-K72 WeakPolarHBondContact O-CD 3.3Å; E68-K72 VanDerWaalsContact O-CG 3.26Å; E68-K72 WeakPolarHBondContact O-CG 3.33Å; E68-K72 PolarHBondContact O-N 3.21Å; E68-K72 IonicContact OE2-NZ 2.59Å; E68-K72 PolarHBondContact OE2-NZ 3.06Å
69D92.2Very high88.3Confident109 Ų10954.7 Ų54.758%0.58329%0.29SS*.Hα-helixtrans-61.7-39.8173.9-87.7-1.6000112G65 L67 Q73G65-D69 WeakPolarHBondContact O-CB 3.32Å; G65-D69 PolarHBondContact O-N 3.28Å; L67-D69 VanDerWaalsContact C-N 3.29Å; L67-D69 PolarHBondContact O-N 3.27Å; D69-Q73 WeakPolarHBondContact O-CB 3.39Å; D69-Q73 PolarHBondContact O-N 2.98Å
70L94.5Very high89.9Confident3 Ų352.3 Ų52.32%0.01628%0.278CS..Hα-helixtrans-62.8-48.6174.5177.865000111.1K66 L67 E68 Q73 K74 F536 L548 Q606K66-L70 VanDerWaalsContact O-CB 3.31Å; K66-L70 WeakPolarHBondContact O-CB 3.42Å; K66-L70 PolarHBondContact O-N 3.46Å; K66-L70 VanDerWaalsContact O-N 3.07Å; L67-L70 WeakPolarHBondContact O-CA 3.44Å; L67-L70 WeakPolarHBondContact O-CB 3.38Å; L67-L70 PolarHBondContact O-N 3.09Å; E68-L70 VanDerWaalsContact C-N 3.34Å; E68-L70 PolarHBondContact O-N 3.14Å; L70-Q73 PolarHBondContact O-N 3.33Å; L70-K74 HydrophobicContact CD1-CG 3.74Å; L70-K74 HydrophobicContact CG-CG 4.45Å; L70-K74 WeakPolarHBondContact O-CB 3.48Å; L70-K74 VanDerWaalsContact O-CG 3.31Å; L70-K74 WeakPolarHBondContact O-CG 3.49Å; L70-K74 PolarHBondContact O-N 2.72Å; L70-F536 HydrophobicContact CD2-CD2 4.16Å; L70-F536 HydrophobicContact CD2-CE2 3.9Å; L70-L548 HydrophobicContact CD2-CD1 4.21Å; L70-L548 HydrophobicContact CD2-CD2 4.48Å; L70-L548 HydrophobicContact CD2-CG 4.03Å; L70-Q606 HydrophobicContact CD1-CB 3.95Å; L70-Q606 HydrophobicContact CD1-CG 3.95Å
71L96Very high91.9Very high0 Ų050 Ų500%025%0.254CS..Hα-helixtrans-62.8-46-176.1-65.8172.7000111.7L67 E68 F75 F76 Y77 F532 L548L67-L71 HydrophobicContact CD1-CD1 3.75Å; L67-L71 HydrophobicContact CD1-CD2 4.26Å; L67-L71 HydrophobicContact CD1-CG 3.82Å; L67-L71 HydrophobicContact CG-CD1 3.88Å; L67-L71 HydrophobicContact CG-CG 4.35Å; L67-L71 WeakPolarHBondContact O-CG 3.48Å; L67-L71 PolarHBondContact O-N 3.39Å; E68-L71 PolarHBondContact O-N 3.43Å; L71-F75 PolarHBondContact O-N 3.06Å; L71-F75 VanDerWaalsContact O-N 3.09Å; L71-F76 HydrophobicContact CB-CB 4.42Å; L71-F76 HydrophobicContact CD2-CB 3.98Å; L71-F76 HydrophobicContact CD2-CD2 3.76Å; L71-F76 HydrophobicContact CD2-CE2 4.34Å; L71-F76 HydrophobicContact CD2-CG 3.85Å; L71-F76 PolarHBondContact O-N 3.09Å; L71-Y77 HydrophobicContact CB-CE1 4.38Å; L71-Y77 HydrophobicContact CD1-CE1 3.91Å; L71-F532 HydrophobicContact CD1-CB 4.1Å; L71-F532 HydrophobicContact CD1-CD2 4.13Å; L71-F532 HydrophobicContact CD1-CG 4.08Å; L71-F532 HydrophobicContact CD2-CB 4.31Å; L71-F532 HydrophobicContact CD2-CD1 3.48Å; L71-F532 VanDerWaalsContact CD2-CD1 3.48Å; L71-F532 HydrophobicContact CD2-CD2 4.11Å; L71-F532 HydrophobicContact CD2-CE1 3.68Å; L71-F532 HydrophobicContact CD2-CE2 4.31Å; L71-F532 HydrophobicContact CD2-CG 3.73Å; L71-F532 HydrophobicContact CD2-CZ 4.11Å; L71-L548 HydrophobicContact CD2-CD1 4.34Å
72K94Very high93.2Very high88 Ų8848.5 Ų48.538%0.38324%0.239SC..Hα-helixtrans-64.6-50174.4-65.6163.7-166.7163.70110.9E68 K74 F75E68-K72 WeakPolarHBondContact O-CB 3.38Å; E68-K72 WeakPolarHBondContact O-CD 3.3Å; E68-K72 VanDerWaalsContact O-CG 3.26Å; E68-K72 WeakPolarHBondContact O-CG 3.33Å; E68-K72 PolarHBondContact O-N 3.21Å; E68-K72 IonicContact OE2-NZ 2.59Å; E68-K72 PolarHBondContact OE2-NZ 3.06Å; K72-K74 PolarHBondContact O-N 2.83Å; K72-F75 PolarHBondContact O-N 3.45Å
73Q94.1Very high93.7Very high85 Ų8553.6 Ų53.640%0.39727%0.267SS..Hα-helixtrans-58.6-32.6-179.8174.2-178.2-140.500113.7D69 L70D69-Q73 WeakPolarHBondContact O-CB 3.39Å; D69-Q73 PolarHBondContact O-N 2.98Å; L70-Q73 PolarHBondContact O-N 3.33Å
74K95.1Very high94.1Very high42 Ų4260.2 Ų60.218%0.18329%0.289CS..Hα-helixtrans-95.9-3.1179.6-61.8-52.1-166.6-164.70113.8L70 K72 F76 Q606 I607L70-K74 HydrophobicContact CD1-CG 3.74Å; L70-K74 HydrophobicContact CG-CG 4.45Å; L70-K74 WeakPolarHBondContact O-CB 3.48Å; L70-K74 VanDerWaalsContact O-CG 3.31Å; L70-K74 WeakPolarHBondContact O-CG 3.49Å; L70-K74 PolarHBondContact O-N 2.72Å; K72-K74 PolarHBondContact O-N 2.83Å; K74-F76 HydrophobicContact CB-CD2 3.73Å; K74-F76 HydrophobicContact CB-CE2 3.67Å; K74-F76 HydrophobicContact CG-CE2 4.3Å; K74-Q606 VanDerWaalsContact CE-OE1 3.25Å; K74-I607 HydrophobicContact CB-CG2 3.97Å; K74-I607 HydrophobicContact CD-CG2 3.72Å; K74-I607 HydrophobicContact CG-CG2 3.8Å
75F95.9Very high94Very high97 Ų9759.1 Ų59.143%0.42531%0.305SS..THydrogen-bonded Turntrans54.156.6-177.1-161.8-149.9000111.5L71 K72 D78 G94 P95L71-F75 PolarHBondContact O-N 3.06Å; L71-F75 VanDerWaalsContact O-N 3.09Å; K72-F75 PolarHBondContact O-N 3.45Å; F75-D78 HydrophobicContact CD2-CB 4.16Å; F75-D78 HydrophobicContact CE2-CB 4.05Å; F75-G94 CarbonylContact O-C 3.57Å; F75-G94 VanDerWaalsContact O-CA 3.23Å; F75-G94 WeakPolarHBondContact O-CA 3.47Å; F75-P95 HydrophobicContact CD1-CG 4.48Å
76F96.6Very high94Very high0 Ų058.2 Ų58.20%030%0.295CS..SBendtrans-74-52.7160.7-76.5-89.9000109.3L71 K74 G94 M96 G97 M100 F532 L548 I607L71-F76 HydrophobicContact CB-CB 4.42Å; L71-F76 HydrophobicContact CD2-CB 3.98Å; L71-F76 HydrophobicContact CD2-CD2 3.76Å; L71-F76 HydrophobicContact CD2-CE2 4.34Å; L71-F76 HydrophobicContact CD2-CG 3.85Å; L71-F76 PolarHBondContact O-N 3.09Å; K74-F76 HydrophobicContact CB-CD2 3.73Å; K74-F76 HydrophobicContact CB-CE2 3.67Å; K74-F76 HydrophobicContact CG-CE2 4.3Å; F76-G94 PolarHBondContact O-N 2.99Å; F76-M96 HydrophobicContact CD1-CB 3.52Å; F76-M96 HydrophobicContact CD2-CB 4.36Å; F76-M96 HydrophobicContact CE1-CB 3.58Å; F76-M96 HydrophobicContact CE2-CB 4.42Å; F76-M96 HydrophobicContact CG-CB 3.96Å; F76-M96 HydrophobicContact CZ-CB 4.06Å; F76-G97 VanDerWaalsContact O-CA 3.26Å; F76-G97 WeakPolarHBondContact O-CA 3.26Å; F76-G97 PolarHBondContact O-N 3.34Å; F76-M100 HydrophobicContact CD1-SD 3.91Å; F76-M100 HydrophobicContact CE1-SD 3.59Å; F76-M100 VanDerWaalsContact CE1-SD 3.59Å; F76-F532 HydrophobicContact CB-CE1 4.49Å; F76-F532 HydrophobicContact CB-CZ 4.08Å; F76-F532 AromaticContact CD1-CE1 3.52Å; F76-F532 HydrophobicContact CD1-CE1 3.52Å; F76-F532 AromaticContact CD1-CZ 3.65Å; F76-F532 HydrophobicContact CD1-CZ 3.65Å; F76-F532 AromaticContact CE1-CE1 3.84Å; F76-F532 HydrophobicContact CE1-CE1 3.84Å; F76-F532 HydrophobicContact CE1-CZ 4.39Å; F76-F532 HydrophobicContact CG-CE1 4.07Å; F76-F532 HydrophobicContact CG-CZ 4.1Å; F76-L548 HydrophobicContact CE1-CD1 4.32Å; F76-L548 HydrophobicContact CE2-CD1 3.84Å; F76-L548 HydrophobicContact CZ-CD1 3.6Å; F76-I607 HydrophobicContact CZ-CB 4.48Å
77Y96.3Very high94Very high6 Ų658.6 Ų58.62%0.02430%0.3CS..EExtended strand (participates in β ladder)trans-145.5160.4162.964.5-91.2000109.8L71 Y91 D92 L283 F532L71-Y77 HydrophobicContact CB-CE1 4.38Å; L71-Y77 HydrophobicContact CD1-CE1 3.91Å; Y77-Y91 AromaticContact CD2-CD1 3.81Å; Y77-Y91 HydrophobicContact CD2-CD1 3.81Å; Y77-Y91 HydrophobicContact CD2-CE1 4.46Å; Y77-Y91 HydrophobicContact CD2-CG 4.32Å; Y77-Y91 HydrophobicContact CE2-CD1 4.12Å; Y77-Y91 HydrophobicContact CE2-CE1 4.33Å; Y77-D92 CarbonylContact C-O 3.43Å; Y77-D92 WeakPolarHBondContact CA-O 3.23Å; Y77-L283 HydrophobicContact CD1-CD1 3.73Å; Y77-L283 HydrophobicContact CD1-CG 4.3Å; Y77-L283 HydrophobicContact CD2-CD2 4.14Å; Y77-L283 HydrophobicContact CD2-CG 4.38Å; Y77-L283 HydrophobicContact CE1-CD1 3.59Å; Y77-L283 HydrophobicContact CE1-CG 4Å; Y77-L283 HydrophobicContact CE2-CD2 4.27Å; Y77-L283 HydrophobicContact CE2-CG 4.11Å; Y77-L283 HydrophobicContact CG-CD1 4.27Å; Y77-L283 HydrophobicContact CG-CD2 4.3Å; Y77-L283 HydrophobicContact CG-CG 4.48Å; Y77-F532 HydrophobicContact CD1-CE2 4.4Å; Y77-F532 HydrophobicContact CE1-CD2 4.47Å; Y77-F532 HydrophobicContact CE1-CE2 4.32Å
78D95.1Very high93.8Very high49 Ų4964.4 Ų64.426%0.26233%0.327SS..EExtended strand (participates in β ladder)trans-141.8169.9168.3-168.621.2000109.3F75 S80 S82 Y91 D92F75-D78 HydrophobicContact CD2-CB 4.16Å; F75-D78 HydrophobicContact CE2-CB 4.05Å; D78-S80 PolarHBondContact O-N 2.77Å; D78-S82 PolarHBondContact OD2-OG 2.72Å; D78-Y91 CarbonylContact O-C 3.56Å; D78-Y91 VanDerWaalsContact O-CA 3.28Å; D78-Y91 WeakPolarHBondContact O-CA 3.36Å; D78-D92 PolarHBondContact N-O 2.99Å; D78-D92 PolarHBondContact O-N 3.47Å
79Q94Very high93.7Very high57 Ų5762.2 Ų62.227%0.26632%0.317SS..EExtended strand (participates in β ladder)trans-68.4129.6179.3-169.6-179.45.600111.4F81 S82 G86 I87 Y91Q79-F81 PolarHBondContact O-N 2.96Å; Q79-S82 WeakPolarHBondContact O-CB 3.38Å; Q79-S82 PolarHBondContact O-N 2.78Å; Q79-G86 VanDerWaalsContact NE2-C 3.26Å; Q79-I87 PolarHBondContact NE2-O 3.07Å; Q79-Y91 HydrophobicContact CB-CD1 4.46Å; Q79-Y91 HydrophobicContact CB-CE1 4.47Å
80S95.3Very high93.9Very high8 Ų858.8 Ų58.86%0.05630%0.299CS..THydrogen-bonded Turntrans-59.3135.9179.4-60.60000111.1D78 S82 G86 I87 L90 Y91 D92D78-S80 PolarHBondContact O-N 2.77Å; S80-S82 VanDerWaalsContact C-N 3.29Å; S80-S82 PolarHBondContact O-N 2.76Å; S80-G86 WeakPolarHBondContact O-CA 3.29Å; S80-I87 PolarHBondContact O-N 3.05Å; S80-I87 VanDerWaalsContact O-N 3.15Å; S80-L90 PolarHBondContact N-O 3.02Å; S80-L90 VanDerWaalsContact OG-C 3.23Å; S80-Y91 VanDerWaalsContact OG-CA 3.29Å; S80-Y91 WeakPolarHBondContact OG-CA 3.24Å; S80-Y91 PolarHBondContact OG-N 2.86Å; S80-D92 WeakPolarHBondContact CA-OD2 3.47Å; S80-D92 VanDerWaalsContact CB-OD1 3.24Å; S80-D92 WeakPolarHBondContact CB-OD1 3.48Å; S80-D92 PolarHBondContact OG-N 3.11Å; S80-D92 PolarHBondContact OG-OD1 3.43Å
81F95.7Very high94Very high91 Ų9161.6 Ų61.640%0.39931%0.309SS..THydrogen-bonded Turntrans60.630.5-178.1-38.1-78000114.2Q79 I83 Y84 G86 I87 L90Q79-F81 PolarHBondContact O-N 2.96Å; F81-I83 PolarHBondContact O-N 2.88Å; F81-I83 VanDerWaalsContact O-N 3.08Å; F81-Y84 WeakPolarHBondContact O-CA 3.48Å; F81-Y84 WeakPolarHBondContact O-CB 3.46Å; F81-Y84 PolarHBondContact O-N 2.91Å; F81-G86 WeakPolarHBondContact O-CA 3.35Å; F81-G86 PolarHBondContact O-N 3.45Å; F81-G86 VanDerWaalsContact O-N 3.08Å; F81-I87 HydrophobicContact CD2-CB 4.43Å; F81-I87 HydrophobicContact CD2-CD1 3.68Å; F81-I87 HydrophobicContact CD2-CG1 3.96Å; F81-I87 HydrophobicContact CE2-CD1 3.98Å; F81-L90 HydrophobicContact CE2-CD1 4.21Å
82S92.4Very high94.1Very high35 Ų3565.3 Ų65.325%0.24533%0.329CS..G310 helixtrans-50.5-35.5-178.157.70000114.5D78 Q79 S80 Y84 G85D78-S82 PolarHBondContact OD2-OG 2.72Å; Q79-S82 WeakPolarHBondContact O-CB 3.38Å; Q79-S82 PolarHBondContact O-N 2.78Å; S80-S82 VanDerWaalsContact C-N 3.29Å; S80-S82 PolarHBondContact O-N 2.76Å; S82-Y84 PolarHBondContact O-N 3.37Å; S82-G85 PolarHBondContact O-N 3.4Å
83I94.6Very high94.2Very high153 Ų15363.3 Ų63.379%0.78532%0.32SS*.G310 helixtrans-67.6-14.6175.866.4173.7000114.8F81F81-I83 PolarHBondContact O-N 2.88Å; F81-I83 VanDerWaalsContact O-N 3.08Å
84Y95.1Very high94.4Very high200 Ų20059.4 Ų59.478%0.78430%0.302SS*.G310 helixtrans-10110.5172-70.8-87.7000112.4F81 S82F81-Y84 WeakPolarHBondContact O-CA 3.48Å; F81-Y84 WeakPolarHBondContact O-CB 3.46Å; F81-Y84 PolarHBondContact O-N 2.91Å; S82-Y84 PolarHBondContact O-N 3.37Å
85G89Confident94.4Very high64 Ų6461.2 Ų61.266%0.6632%0.318SS*.THydrogen-bonded Turntrans98.3-10.4-174.800000114.3S82S82-G85 PolarHBondContact O-N 3.4Å
86G89.6Confident94.4Very high21 Ų2157 Ų5722%0.21630%0.3CS..  trans77.4144.4177.500000114.5Q79 S80 F81Q79-G86 VanDerWaalsContact NE2-C 3.26Å; S80-G86 WeakPolarHBondContact O-CA 3.29Å; F81-G86 WeakPolarHBondContact O-CA 3.35Å; F81-G86 PolarHBondContact O-N 3.45Å; F81-G86 VanDerWaalsContact O-N 3.08Å
87I90.8Very high94.3Very high75 Ų7557.1 Ų57.139%0.38530%0.301SS..  trans-99.6131.3173.7-60.1-178.9000109.3Q79 S80 F81 G89 L90Q79-I87 PolarHBondContact NE2-O 3.07Å; S80-I87 PolarHBondContact O-N 3.05Å; S80-I87 VanDerWaalsContact O-N 3.15Å; F81-I87 HydrophobicContact CD2-CB 4.43Å; F81-I87 HydrophobicContact CD2-CD1 3.68Å; F81-I87 HydrophobicContact CD2-CG1 3.96Å; F81-I87 HydrophobicContact CE2-CD1 3.98Å; I87-G89 PolarHBondContact O-N 3Å; I87-L90 HydrophobicContact CB-CD1 4.09Å; I87-L90 HydrophobicContact CD1-CD1 4.34Å; I87-L90 HydrophobicContact CG2-CD1 3.79Å; I87-L90 HydrophobicContact CG2-CG 4.15Å; I87-L90 PolarHBondContact O-N 2.66Å
88Q90.3Very high94.3Very high122 Ų12259.1 Ų59.157%0.5732%0.315SS*.THydrogen-bonded Turntrans-69.1133.6178.6-64.4-176.612.300110.7P279 R287Q88-P279 HydrophobicContact CB-CG 4.02Å; Q88-P279 WeakPolarHBondContact O-CG 3.48Å; Q88-R287 PolarHBondContact O-NH1 3.34Å
89G92.3Very high94.4Very high2 Ų258.1 Ų58.12%0.02131%0.314CS..THydrogen-bonded Turntrans82.65.4-17900000115.4I87 V286 R287I87-G89 PolarHBondContact O-N 3Å; G89-V286 CarbonylContact O-C 3.5Å; G89-V286 WeakPolarHBondContact O-CA 3.04Å; G89-V286 WeakPolarHBondContact O-CB 3.48Å; G89-R287 PolarHBondContact O-N 3.03Å
90L96.5Very high94.4Very high37 Ų3755.4 Ų55.419%0.19430%0.301CS..  trans-117.9133.9172.1-61.4179.9000109.6S80 F81 I87 R287 E288S80-L90 PolarHBondContact N-O 3.02Å; S80-L90 VanDerWaalsContact OG-C 3.23Å; F81-L90 HydrophobicContact CE2-CD1 4.21Å; I87-L90 HydrophobicContact CB-CD1 4.09Å; I87-L90 HydrophobicContact CD1-CD1 4.34Å; I87-L90 HydrophobicContact CG2-CD1 3.79Å; I87-L90 HydrophobicContact CG2-CG 4.15Å; I87-L90 PolarHBondContact O-N 2.66Å; L90-R287 HydrophobicContact CD2-CB 3.9Å; L90-E288 HydrophobicContact CD2-CB 3.93Å
91Y96.7Very high94.5Very high62 Ų6256.6 Ų56.624%0.24331%0.305CS..EExtended strand (participates in β ladder)trans-138.4130.5-177.3-63.9-86.5000112Y77 D78 Q79 S80 G282 L283 V286Y77-Y91 AromaticContact CD2-CD1 3.81Å; Y77-Y91 HydrophobicContact CD2-CD1 3.81Å; Y77-Y91 HydrophobicContact CD2-CE1 4.46Å; Y77-Y91 HydrophobicContact CD2-CG 4.32Å; Y77-Y91 HydrophobicContact CE2-CD1 4.12Å; Y77-Y91 HydrophobicContact CE2-CE1 4.33Å; D78-Y91 CarbonylContact O-C 3.56Å; D78-Y91 VanDerWaalsContact O-CA 3.28Å; D78-Y91 WeakPolarHBondContact O-CA 3.36Å; Q79-Y91 HydrophobicContact CB-CD1 4.46Å; Q79-Y91 HydrophobicContact CB-CE1 4.47Å; S80-Y91 VanDerWaalsContact OG-CA 3.29Å; S80-Y91 WeakPolarHBondContact OG-CA 3.24Å; S80-Y91 PolarHBondContact OG-N 2.86Å; Y91-G282 WeakPolarHBondContact CE2-O 3.45Å; Y91-G282 WeakPolarHBondContact OH-CA 3.42Å; Y91-G282 PolarHBondContact OH-O 2.96Å; Y91-L283 HydrophobicContact CD2-CD2 3.81Å; Y91-L283 HydrophobicContact CG-CD2 3.83Å; Y91-V286 HydrophobicContact CD2-CG1 3.67Å; Y91-V286 HydrophobicContact CE2-CG1 3.65Å
92D97.1Very high94.6Very high77 Ų7755 Ų5541%0.41231%0.309SS..EExtended strand (participates in β ladder)trans-87.5121.3175.5-63.4-18.1000108.6Y77 D78 S80 G94Y77-D92 CarbonylContact C-O 3.43Å; Y77-D92 WeakPolarHBondContact CA-O 3.23Å; D78-D92 PolarHBondContact N-O 2.99Å; D78-D92 PolarHBondContact O-N 3.47Å; S80-D92 WeakPolarHBondContact CA-OD2 3.47Å; S80-D92 VanDerWaalsContact CB-OD1 3.24Å; S80-D92 WeakPolarHBondContact CB-OD1 3.48Å; S80-D92 PolarHBondContact OG-N 3.11Å; S80-D92 PolarHBondContact OG-OD1 3.43Å; D92-G94 PolarHBondContact O-N 2.92Å
93Y97Very high94.8Very high47 Ų4755.1 Ų55.118%0.18431%0.307CS..EExtended strand (participates in β ladder)trans-74.1122.3171.1-70.4-97.6000108.8C98 L283 L528Y93-C98 PolarHBondContact O-SG 2.89Å; Y93-L283 HydrophobicContact CE1-CD1 4.38Å; Y93-L528 HydrophobicContact CE1-CD1 3.92Å
94G96.5Very high94.9Very high2 Ų247.9 Ų47.92%0.02127%0.27CS..  trans-80.6177.5172.600000111.6F75 F76 D92 M96 G97 C98F75-G94 CarbonylContact O-C 3.57Å; F75-G94 VanDerWaalsContact O-CA 3.23Å; F75-G94 WeakPolarHBondContact O-CA 3.47Å; F76-G94 PolarHBondContact O-N 2.99Å; D92-G94 PolarHBondContact O-N 2.92Å; G94-M96 PolarHBondContact O-N 3.02Å; G94-G97 PolarHBondContact O-N 3.11Å; G94-C98 PolarHBondContact O-N 3.4Å
95P95.9Very high95Very high81 Ų8139.4 Ų39.453%0.52624%0.238SC..Hα-helixtrans-53.4-33.3-171.2-29.235.9000115.1F75 A99F75-P95 HydrophobicContact CD1-CG 4.48Å; P95-A99 WeakPolarHBondContact O-CB 3.34Å; P95-A99 PolarHBondContact O-N 3.25Å
96M95Very high95.3Very high8 Ų838.6 Ų38.64%0.03922%0.222CC..Hα-helixtrans-77.5-36.7178.7-56.2-64.184.700112.1F76 G94 M100 P556 Y557 I607F76-M96 HydrophobicContact CD1-CB 3.52Å; F76-M96 HydrophobicContact CD2-CB 4.36Å; F76-M96 HydrophobicContact CE1-CB 3.58Å; F76-M96 HydrophobicContact CE2-CB 4.42Å; F76-M96 HydrophobicContact CG-CB 3.96Å; F76-M96 HydrophobicContact CZ-CB 4.06Å; G94-M96 PolarHBondContact O-N 3.02Å; M96-M100 WeakPolarHBondContact O-CB 3.18Å; M96-M100 WeakPolarHBondContact O-CG 3.48Å; M96-M100 PolarHBondContact O-N 2.9Å; M96-P556 HydrophobicContact SD-CB 4.49Å; M96-P556 HydrophobicContact SD-CG 4.23Å; M96-Y557 HydrophobicContact CE-CD2 4.37Å; M96-Y557 HydrophobicContact CE-CE2 3.55Å; M96-Y557 HydrophobicContact SD-CD2 4.41Å; M96-Y557 HydrophobicContact SD-CE2 4.04Å; M96-I607 HydrophobicContact SD-CB 4.17Å; M96-I607 HydrophobicContact SD-CD1 4.21Å; M96-I607 HydrophobicContact SD-CG1 4.5Å
97G95.5Very high95.6Very high2 Ų237.9 Ų37.92%0.02121%0.214CC..Hα-helixtrans-72.4-38.8174.700000112.7F76 G94 M100 K101F76-G97 VanDerWaalsContact O-CA 3.26Å; F76-G97 WeakPolarHBondContact O-CA 3.26Å; F76-G97 PolarHBondContact O-N 3.34Å; G94-G97 PolarHBondContact O-N 3.11Å; G97-M100 PolarHBondContact O-N 3.04Å; G97-K101 WeakPolarHBondContact O-CB 3.41Å; G97-K101 PolarHBondContact O-N 3.15Å
98C96.7Very high95.9Very high48 Ų4834.3 Ų34.332%0.32420%0.196SC..Hα-helixtrans-59.6-48.3173.6-71.80000111.8Y93 G94 K101 A102Y93-C98 PolarHBondContact O-SG 2.89Å; G94-C98 PolarHBondContact O-N 3.4Å; C98-K101 PolarHBondContact O-N 3.29Å; C98-A102 WeakPolarHBondContact O-CB 3.21Å; C98-A102 PolarHBondContact O-N 3Å
99A95.6Very high96.3Very high29 Ų2932.3 Ų32.324%0.2418%0.183CC..Hα-helixtrans-64.5-41.7177.800000112.2P95 A102 N103 P556P95-A99 WeakPolarHBondContact O-CB 3.34Å; P95-A99 PolarHBondContact O-N 3.25Å; A99-A102 PolarHBondContact O-N 3.23Å; A99-N103 WeakPolarHBondContact O-CB 3.41Å; A99-N103 PolarHBondContact O-N 3.22Å; A99-N103 PolarHBondContact O-ND2 3.06Å; A99-P556 HydrophobicContact CB-CB 3.56Å
100M96Very high96.4Very high0 Ų037.6 Ų37.60%021%0.207CC..Hα-helixtrans-63.5-42.5173.2-81.9-175.655.600113.3F76 M96 G97 N103 L104 L528 I531 F532 I550 P556F76-M100 HydrophobicContact CD1-SD 3.91Å; F76-M100 HydrophobicContact CE1-SD 3.59Å; F76-M100 VanDerWaalsContact CE1-SD 3.59Å; M96-M100 WeakPolarHBondContact O-CB 3.18Å; M96-M100 WeakPolarHBondContact O-CG 3.48Å; M96-M100 PolarHBondContact O-N 2.9Å; G97-M100 PolarHBondContact O-N 3.04Å; M100-N103 PolarHBondContact O-N 3.3Å; M100-L104 WeakPolarHBondContact O-CB 3.14Å; M100-L104 PolarHBondContact O-N 3.06Å; M100-L528 HydrophobicContact CB-CD2 4.37Å; M100-L528 HydrophobicContact CE-CD2 4.05Å; M100-I531 HydrophobicContact CE-CG2 4.49Å; M100-F532 HydrophobicContact CE-CD1 4.17Å; M100-F532 HydrophobicContact CE-CE1 3.45Å; M100-F532 VanDerWaalsContact CE-CE1 3.45Å; M100-F532 HydrophobicContact CE-CZ 3.7Å; M100-F532 HydrophobicContact SD-CE1 3.52Å; M100-F532 VanDerWaalsContact SD-CE1 3.52Å; M100-F532 HydrophobicContact SD-CZ 3.87Å; M100-I550 HydrophobicContact CE-CD1 3.65Å; M100-I550 HydrophobicContact CE-CG2 4.49Å; M100-I550 HydrophobicContact SD-CD1 3.79Å; M100-P556 HydrophobicContact CG-CB 4.21Å; M100-P556 HydrophobicContact CG-CG 4.2Å
101K97.4Very high96.4Very high32 Ų3237.4 Ų37.414%0.13921%0.205CC..Hα-helixtrans-63.7-41.7177.8-176-177.9178.9-174.70111G97 C98 L104 L105 T290 I524 L528G97-K101 WeakPolarHBondContact O-CB 3.41Å; G97-K101 PolarHBondContact O-N 3.15Å; C98-K101 PolarHBondContact O-N 3.29Å; K101-L104 PolarHBondContact O-N 2.92Å; K101-L105 HydrophobicContact CG-CD1 4.26Å; K101-L105 WeakPolarHBondContact O-CB 3.44Å; K101-L105 VanDerWaalsContact O-CG 3.3Å; K101-L105 WeakPolarHBondContact O-CG 3.45Å; K101-L105 PolarHBondContact O-N 3.47Å; K101-T290 VanDerWaalsContact CE-OG1 3.26Å; K101-T290 WeakPolarHBondContact CE-OG1 3.29Å; K101-T290 PolarHBondContact NZ-OG1 2.87Å; K101-I524 HydrophobicContact CG-CG2 4.45Å; K101-L528 HydrophobicContact CB-CD1 4.08Å; K101-L528 HydrophobicContact CG-CD1 4.27Å
102A97.1Very high96.5Very high59 Ų5934.4 Ų34.449%0.48819%0.193SC..Hα-helixtrans-62.6-46.7173.900000111.7C98 A99 L104 L105 S106C98-A102 WeakPolarHBondContact O-CB 3.21Å; C98-A102 PolarHBondContact O-N 3Å; A99-A102 PolarHBondContact O-N 3.23Å; A102-L104 PolarHBondContact O-N 2.74Å; A102-L105 PolarHBondContact O-N 2.81Å; A102-S106 WeakPolarHBondContact O-CB 3.4Å; A102-S106 PolarHBondContact O-N 3.26Å
103N95.5Very high96.5Very high37 Ų3731.5 Ų31.520%0.19818%0.178CC..Hα-helixtrans-60.9-41.9176-67.8-21.3000112.2A99 M100 S106 A107 L554 A555 K558A99-N103 WeakPolarHBondContact O-CB 3.41Å; A99-N103 PolarHBondContact O-N 3.22Å; A99-N103 PolarHBondContact O-ND2 3.06Å; M100-N103 PolarHBondContact O-N 3.3Å; N103-S106 PolarHBondContact O-N 3.47Å; N103-A107 WeakPolarHBondContact O-CB 3.1Å; N103-A107 PolarHBondContact O-N 3.26Å; N103-L554 HydrophobicContact CB-CD2 4.44Å; N103-L554 PolarHBondContact ND2-O 3.21Å; N103-A555 PolarHBondContact ND2-O 3.12Å; N103-K558 PolarHBondContact ND2-NZ 3.1Å
104L97Very high96.5Very high1 Ų134.7 Ų34.71%0.00520%0.197CC..Hα-helixtrans-64.5-44.5178.1176.558000111.9M100 K101 A102 S106 A107 W108 F359 I363 I524 I527 L528 L554M100-L104 WeakPolarHBondContact O-CB 3.14Å; M100-L104 PolarHBondContact O-N 3.06Å; K101-L104 PolarHBondContact O-N 2.92Å; A102-L104 PolarHBondContact O-N 2.74Å; L104-S106 VanDerWaalsContact C-N 3.33Å; L104-A107 PolarHBondContact O-N 2.94Å; L104-W108 WeakPolarHBondContact O-CB 3.49Å; L104-W108 PolarHBondContact O-N 3.17Å; L104-F359 HydrophobicContact CD1-CE1 4.37Å; L104-F359 HydrophobicContact CD1-CZ 3.82Å; L104-I363 HydrophobicContact CD1-CB 4.37Å; L104-I363 HydrophobicContact CD1-CD1 3.69Å; L104-I363 HydrophobicContact CD1-CG2 4.03Å; L104-I524 HydrophobicContact CD2-CG2 3.89Å; L104-I527 HydrophobicContact CD1-CG2 4.4Å; L104-I527 HydrophobicContact CD2-CG2 3.95Å; L104-L528 HydrophobicContact CD2-CD1 4.45Å; L104-L528 HydrophobicContact CD2-CD2 3.65Å; L104-L528 HydrophobicContact CD2-CG 3.68Å; L104-L554 VanDerWaalsContact CA-CD2 3.48Å; L104-L554 HydrophobicContact CB-CD2 3.83Å; L104-L554 HydrophobicContact CD1-CD1 4.36Å; L104-L554 HydrophobicContact CD1-CD2 4.03Å
105L97.9Very high96.5Very high21 Ų2138.5 Ų38.511%0.1121%0.214CC..Hα-helixtrans-67.6-33175.4-67.7174.2000112K101 A102 R109 I269 T290 I524K101-L105 HydrophobicContact CG-CD1 4.26Å; K101-L105 WeakPolarHBondContact O-CB 3.44Å; K101-L105 VanDerWaalsContact O-CG 3.3Å; K101-L105 WeakPolarHBondContact O-CG 3.45Å; K101-L105 PolarHBondContact O-N 3.47Å; A102-L105 PolarHBondContact O-N 2.81Å; L105-R109 WeakPolarHBondContact O-CG 3.36Å; L105-R109 PolarHBondContact O-N 2.98Å; L105-I269 HydrophobicContact CD1-CG2 3.95Å; L105-I269 HydrophobicContact CD2-CG2 3.68Å; L105-I269 HydrophobicContact CG-CG2 4.35Å; L105-T290 HydrophobicContact CD1-CG2 4.44Å; L105-I524 HydrophobicContact CD2-CD1 3.89Å; L105-I524 HydrophobicContact CD2-CG1 4.01Å; L105-I524 HydrophobicContact CD2-CG2 4.39Å
106S95.7Very high96.4Very high48 Ų4835.5 Ų35.534%0.33619%0.194SC..Hα-helixtrans-66.5-44.8173-169.10000111.9A102 N103 L104 W108 R109 Q110A102-S106 WeakPolarHBondContact O-CB 3.4Å; A102-S106 PolarHBondContact O-N 3.26Å; N103-S106 PolarHBondContact O-N 3.47Å; L104-S106 VanDerWaalsContact C-N 3.33Å; S106-W108 VanDerWaalsContact C-N 3.34Å; S106-R109 PolarHBondContact O-N 3.42Å; S106-Q110 WeakPolarHBondContact O-CG 3.49Å; S106-Q110 PolarHBondContact O-N 3.04Å
107A94.9Very high96.5Very high5 Ų542.4 Ų42.44%0.04123%0.226CC..Hα-helixtrans-63.2-40.4175.500000111.3N103 L104 Q110 F111 F359 V553N103-A107 WeakPolarHBondContact O-CB 3.1Å; N103-A107 PolarHBondContact O-N 3.26Å; L104-A107 PolarHBondContact O-N 2.94Å; A107-Q110 PolarHBondContact O-N 3.18Å; A107-F111 VanDerWaalsContact O-CB 3.28Å; A107-F111 WeakPolarHBondContact O-CB 3.38Å; A107-F111 PolarHBondContact O-N 3.35Å; A107-F359 HydrophobicContact CB-CE2 4.37Å; A107-V553 HydrophobicContact CB-CG1 3.95Å
108W98.1Very high96.6Very high1 Ų142.8 Ų42.80%0.00423%0.227CC..Hα-helixtrans-63.3-42.6175.3-167.794.7000112.2L104 S106 Q110 F111 F112 I113 A267 I269 A292 I294 F359 F522L104-W108 WeakPolarHBondContact O-CB 3.49Å; L104-W108 PolarHBondContact O-N 3.17Å; S106-W108 VanDerWaalsContact C-N 3.34Å; W108-Q110 PolarHBondContact O-N 2.99Å; W108-F111 PolarHBondContact O-N 3.25Å; W108-F112 AromaticContact CD1-CD2 3.58Å; W108-F112 AromaticContact CD1-CE2 3.64Å; W108-F112 AromaticContact CD2-CD2 3.88Å; W108-F112 HydrophobicContact CD2-CD2 3.88Å; W108-F112 AromaticContact CE2-CD2 3.71Å; W108-F112 AromaticContact CG-CD2 3.85Å; W108-F112 HydrophobicContact CG-CD2 3.85Å; W108-F112 HydrophobicContact CG-CE2 4.31Å; W108-F112 HydrophobicContact CZ2-CD2 4.43Å; W108-F112 AromaticContact NE1-CD2 3.48Å; W108-F112 AromaticContact NE1-CE2 3.61Å; W108-F112 PolarHBondContact O-N 2.84Å; W108-I113 HydrophobicContact CE3-CD1 4.37Å; W108-I113 HydrophobicContact CE3-CG1 4.19Å; W108-I113 HydrophobicContact CZ3-CD1 3.86Å; W108-I113 HydrophobicContact CZ3-CG1 3.75Å; W108-A267 HydrophobicContact CH2-CB 4.17Å; W108-A267 HydrophobicContact CZ3-CB 4.34Å; W108-I269 HydrophobicContact CE3-CD1 3.75Å; W108-I269 HydrophobicContact CE3-CG1 4.2Å; W108-I269 HydrophobicContact CZ3-CD1 3.86Å; W108-I269 HydrophobicContact CZ3-CG1 3.99Å; W108-A292 HydrophobicContact CD2-CB 3.8Å; W108-A292 HydrophobicContact CE3-CB 4.07Å; W108-A292 HydrophobicContact CG-CB 4.45Å; W108-A292 HydrophobicContact CH2-CB 3.76Å; W108-A292 HydrophobicContact CZ2-CB 3.5Å; W108-A292 HydrophobicContact CZ3-CB 4.04Å; W108-I294 HydrophobicContact CH2-CD1 3.87Å; W108-I294 HydrophobicContact CH2-CG1 3.46Å; W108-I294 VanDerWaalsContact CH2-CG1 3.46Å; W108-I294 HydrophobicContact CZ2-CD1 3.63Å; W108-I294 HydrophobicContact CZ2-CG1 3.58Å; W108-F359 HydrophobicContact CB-CE2 4.11Å; W108-F359 HydrophobicContact CB-CZ 3.78Å; W108-F359 AromaticContact CD1-CE1 3.65Å; W108-F359 AromaticContact CD1-CZ 3.64Å; W108-F359 HydrophobicContact CG-CZ 4.12Å; W108-F522 AromaticContact CD1-CD1 3.88Å; W108-F522 AromaticContact CD1-CE1 3.95Å; W108-F522 AromaticContact CE2-CD2 3.77Å; W108-F522 AromaticContact CE2-CE2 3.79Å; W108-F522 AromaticContact CZ2-CD2 3.7Å; W108-F522 HydrophobicContact CZ2-CD2 3.7Å; W108-F522 AromaticContact CZ2-CE2 3.7Å; W108-F522 HydrophobicContact CZ2-CE2 3.7Å; W108-F522 HydrophobicContact CZ2-CG 4.49Å; W108-F522 AromaticContact NE1-CD1 3.37Å; W108-F522 AromaticContact NE1-CD2 3.25Å; W108-F522 AromaticContact NE1-CE1 3.4Å; W108-F522 AromaticContact NE1-CE2 3.26Å; W108-F522 VanDerWaalsContact NE1-CE2 3.26Å; W108-F522 AromaticContact NE1-CG 3.31Å; W108-F522 VanDerWaalsContact NE1-CG 3.31Å; W108-F522 AromaticContact NE1-CZ 3.34Å; W108-F522 VanDerWaalsContact NE1-CZ 3.34Å
109R98.2Very high96.7Very high80 Ų8041.9 Ų41.930%0.30222%0.219SC..Iπ-helixtrans-60.1-43.5173.8-73.8-164.3176.480.1-1.3112.4L105 S106 I113 L114 E120 I269L105-R109 WeakPolarHBondContact O-CG 3.36Å; L105-R109 PolarHBondContact O-N 2.98Å; S106-R109 PolarHBondContact O-N 3.42Å; R109-I113 HydrophobicContact CB-CD1 4.37Å; R109-I113 HydrophobicContact CG-CD1 3.75Å; R109-I113 HydrophobicContact CG-CG1 4.38Å; R109-I113 WeakPolarHBondContact O-CA 3.44Å; R109-I113 WeakPolarHBondContact O-CB 3.43Å; R109-I113 PolarHBondContact O-N 2.76Å; R109-L114 PolarHBondContact O-N 2.82Å; R109-E120 WeakPolarHBondContact CD-OE2 3.48Å; R109-E120 IonicContact CZ-OE1 2.78Å; R109-E120 IonicContact CZ-OE2 3.75Å; R109-E120 VanDerWaalsContact NE-CD 3.3Å; R109-E120 IonicContact NE-OE1 3.86Å; R109-E120 PolarHBondContact NE-OE1 3.19Å; R109-E120 IonicContact NE-OE2 3.47Å; R109-E120 PolarHBondContact NE-OE2 3.5Å; R109-E120 IonicContact NH2-OE1 3.58Å; R109-E120 PolarHBondContact NH2-OE1 2.57Å; R109-E120 IonicContact NH2-OE2 2.74Å; R109-I269 HydrophobicContact CG-CD1 3.8Å
110Q95.2Very high96.8Very high113 Ų11344.3 Ų44.353%0.52823%0.225SC..Iπ-helixtrans-64-42.1175.5-70.6171-5.700111.8S106 A107 W108 L114S106-Q110 WeakPolarHBondContact O-CG 3.49Å; S106-Q110 PolarHBondContact O-N 3.04Å; A107-Q110 PolarHBondContact O-N 3.18Å; W108-Q110 PolarHBondContact O-N 2.99Å; Q110-L114 HydrophobicContact CG-CD1 4.14Å
111F96.1Very high96.9Very high32 Ų3246 Ų4614%0.1424%0.236CC..Iπ-helixtrans-76.5-31.1-173.8-158.1-80.8000114.1A107 W108 R355 L358 F359A107-F111 VanDerWaalsContact O-CB 3.28Å; A107-F111 WeakPolarHBondContact O-CB 3.38Å; A107-F111 PolarHBondContact O-N 3.35Å; W108-F111 PolarHBondContact O-N 3.25Å; F111-R355 HydrophobicContact CE1-CB 4.11Å; F111-R355 VanDerWaalsContact CE1-NH2 3.31Å; F111-R355 WeakPolarHBondContact CE1-O 3.43Å; F111-R355 PolarHBondContact O-NH2 2.76Å; F111-L358 HydrophobicContact CZ-CB 3.74Å; F111-F359 HydrophobicContact CB-CD2 3.7Å; F111-F359 HydrophobicContact CB-CE2 4.17Å; F111-F359 HydrophobicContact CD1-CB 3.74Å; F111-F359 HydrophobicContact CD1-CD2 4.06Å; F111-F359 HydrophobicContact CD1-CG 4.26Å; F111-F359 HydrophobicContact CD2-CB 4.37Å; F111-F359 AromaticContact CD2-CD2 3.99Å; F111-F359 HydrophobicContact CD2-CD2 3.99Å; F111-F359 HydrophobicContact CE1-CB 3.72Å; F111-F359 HydrophobicContact CE2-CB 4.35Å; F111-F359 HydrophobicContact CG-CB 4.09Å; F111-F359 AromaticContact CG-CD2 3.63Å; F111-F359 HydrophobicContact CG-CD2 3.63Å; F111-F359 HydrophobicContact CG-CG 4.28Å; F111-F359 HydrophobicContact CZ-CB 4.05Å
112F98.2Very high96.9Very high0 Ų050.9 Ų50.90%026%0.263CS..Iπ-helixtrans-115.4-58.1-178.2-63.3-79.7000112.3W108 L114 D116 L118 I294 R355 F359 F522W108-F112 AromaticContact CD1-CD2 3.58Å; W108-F112 AromaticContact CD1-CE2 3.64Å; W108-F112 AromaticContact CD2-CD2 3.88Å; W108-F112 HydrophobicContact CD2-CD2 3.88Å; W108-F112 AromaticContact CE2-CD2 3.71Å; W108-F112 AromaticContact CG-CD2 3.85Å; W108-F112 HydrophobicContact CG-CD2 3.85Å; W108-F112 HydrophobicContact CG-CE2 4.31Å; W108-F112 HydrophobicContact CZ2-CD2 4.43Å; W108-F112 AromaticContact NE1-CD2 3.48Å; W108-F112 AromaticContact NE1-CE2 3.61Å; W108-F112 PolarHBondContact O-N 2.84Å; F112-L114 PolarHBondContact O-N 2.8Å; F112-D116 WeakPolarHBondContact O-CB 3.21Å; F112-D116 PolarHBondContact O-N 2.92Å; F112-L118 HydrophobicContact CB-CD1 3.94Å; F112-I294 HydrophobicContact CB-CD1 3.82Å; F112-I294 HydrophobicContact CD1-CD1 3.85Å; F112-I294 HydrophobicContact CG-CD1 3.9Å; F112-R355 HydrophobicContact CE1-CB 3.71Å; F112-R355 HydrophobicContact CZ-CB 4.42Å; F112-F359 HydrophobicContact CE2-CB 3.87Å; F112-F359 AromaticContact CE2-CD1 3.9Å; F112-F359 HydrophobicContact CE2-CD1 3.9Å; F112-F359 AromaticContact CE2-CD2 3.93Å; F112-F359 HydrophobicContact CE2-CD2 3.93Å; F112-F359 HydrophobicContact CE2-CE1 4.43Å; F112-F359 HydrophobicContact CE2-CE2 4.46Å; F112-F359 AromaticContact CE2-CG 3.61Å; F112-F359 HydrophobicContact CE2-CG 3.61Å; F112-F359 HydrophobicContact CZ-CB 3.81Å; F112-F359 HydrophobicContact CZ-CD1 4.4Å; F112-F359 HydrophobicContact CZ-CG 4.07Å; F112-F522 HydrophobicContact CD2-CZ 4.24Å; F112-F522 AromaticContact CE1-CZ 3.93Å; F112-F522 HydrophobicContact CE1-CZ 3.93Å; F112-F522 AromaticContact CE2-CE1 3.81Å; F112-F522 HydrophobicContact CE2-CE1 3.81Å; F112-F522 HydrophobicContact CE2-CE2 4.48Å; F112-F522 AromaticContact CE2-CZ 3.56Å; F112-F522 HydrophobicContact CE2-CZ 3.56Å; F112-F522 AromaticContact CZ-CE1 3.84Å; F112-F522 HydrophobicContact CZ-CE1 3.84Å; F112-F522 HydrophobicContact CZ-CE2 4.46Å; F112-F522 AromaticContact CZ-CZ 3.39Å; F112-F522 HydrophobicContact CZ-CZ 3.39Å
113I97.7Very high97Very high16 Ų1649.1 Ų49.18%0.08225%0.247CC..Iπ-helixtrans-63.7-46.1-173.1-52.5-170.2000111.9W108 R109 H117 L118 E120 A267 I269W108-I113 HydrophobicContact CE3-CD1 4.37Å; W108-I113 HydrophobicContact CE3-CG1 4.19Å; W108-I113 HydrophobicContact CZ3-CD1 3.86Å; W108-I113 HydrophobicContact CZ3-CG1 3.75Å; R109-I113 HydrophobicContact CB-CD1 4.37Å; R109-I113 HydrophobicContact CG-CD1 3.75Å; R109-I113 HydrophobicContact CG-CG1 4.38Å; R109-I113 WeakPolarHBondContact O-CA 3.44Å; R109-I113 WeakPolarHBondContact O-CB 3.43Å; R109-I113 PolarHBondContact O-N 2.76Å; I113-H117 CarbonylContact O-C 3.48Å; I113-H117 VanDerWaalsContact O-CA 3.24Å; I113-H117 WeakPolarHBondContact O-CA 3.49Å; I113-H117 PolarHBondContact O-N 3.41Å; I113-H117 VanDerWaalsContact O-N 3.13Å; I113-L118 HydrophobicContact CB-CB 4.48Å; I113-L118 HydrophobicContact CG1-CD1 4.42Å; I113-L118 HydrophobicContact CG2-CB 4.28Å; I113-L118 WeakPolarHBondContact CG2-O 3.38Å; I113-L118 PolarHBondContact O-N 3.44Å; I113-E120 HydrophobicContact CD1-CB 3.91Å; I113-E120 HydrophobicContact CD1-CG 3.76Å; I113-E120 VanDerWaalsContact CD1-OE2 3.28Å; I113-E120 WeakPolarHBondContact CD1-OE2 3.49Å; I113-E120 HydrophobicContact CG2-CB 4.37Å; I113-A267 HydrophobicContact CD1-CB 4.25Å; I113-A267 HydrophobicContact CG1-CB 4.3Å; I113-I269 HydrophobicContact CD1-CD1 4.42Å
114L96.7Very high97.1Very high114 Ų11451.3 Ų51.360%0.59727%0.265SS*.Iπ-helixtrans-74.8-42.3-179.3-60.4-173.4000112.6R109 Q110 F112 H117R109-L114 PolarHBondContact O-N 2.82Å; Q110-L114 HydrophobicContact CG-CD1 4.14Å; F112-L114 PolarHBondContact O-N 2.8Å; L114-H117 PolarHBondContact O-CE1 2.8Å; L114-H117 PolarHBondContact O-ND1 3.23Å
115E95.3Very high97.1Very high81 Ų8154.6 Ų54.638%0.37928%0.282SS..THydrogen-bonded Turntrans-69.8-46.4-178.9-177.768.6-130.600112.8H117 K307E115-H117 VanDerWaalsContact C-N 3.33Å; E115-K307 PolarHBondContact O-NZ 3.18Å; E115-K307 IonicContact OE1-NZ 3.48Å; E115-K307 PolarHBondContact OE1-NZ 3.24Å
116D95.6Very high97.1Very high19 Ų1957.4 Ų57.410%0.10230%0.296CS..THydrogen-bonded Turntrans-94.98.4-176.5-59.3-51.8000112.3F112 L118 Y351F112-D116 WeakPolarHBondContact O-CB 3.21Å; F112-D116 PolarHBondContact O-N 2.92Å; D116-L118 VanDerWaalsContact C-N 3.28Å; D116-L118 HydrophobicContact CB-CD1 4.48Å; D116-L118 HydrophobicContact CB-CD2 3.77Å; D116-L118 HydrophobicContact CB-CG 3.95Å; D116-L118 PolarHBondContact O-N 3Å; D116-Y351 VanDerWaalsContact OD1-CE1 3.29Å; D116-Y351 WeakPolarHBondContact OD1-CE1 3.13Å; D116-Y351 PolarHBondContact OD1-OH 2.81Å
117H96.4Very high97.2Very high153 Ų15355.9 Ų55.971%0.70829%0.285SS*.THydrogen-bonded Turntrans50.242.9179.1-56.9-32000113.7I113 L114 E115I113-H117 CarbonylContact O-C 3.48Å; I113-H117 VanDerWaalsContact O-CA 3.24Å; I113-H117 WeakPolarHBondContact O-CA 3.49Å; I113-H117 PolarHBondContact O-N 3.41Å; I113-H117 VanDerWaalsContact O-N 3.13Å; L114-H117 PolarHBondContact O-CE1 2.8Å; L114-H117 PolarHBondContact O-ND1 3.23Å; E115-H117 VanDerWaalsContact C-N 3.33Å
118L97.7Very high97.3Very high9 Ų958.2 Ų58.25%0.04730%0.3CS..  trans-72.6143.8-173.7-49.3173.6000111.7F112 I113 D116 E120 G265 A267 I294 Y296F112-L118 HydrophobicContact CB-CD1 3.94Å; I113-L118 HydrophobicContact CB-CB 4.48Å; I113-L118 HydrophobicContact CG1-CD1 4.42Å; I113-L118 HydrophobicContact CG2-CB 4.28Å; I113-L118 WeakPolarHBondContact CG2-O 3.38Å; I113-L118 PolarHBondContact O-N 3.44Å; D116-L118 VanDerWaalsContact C-N 3.28Å; D116-L118 HydrophobicContact CB-CD1 4.48Å; D116-L118 HydrophobicContact CB-CD2 3.77Å; D116-L118 HydrophobicContact CB-CG 3.95Å; D116-L118 PolarHBondContact O-N 3Å; L118-E120 PolarHBondContact O-N 3.41Å; L118-G265 WeakPolarHBondContact CA-O 3.24Å; L118-A267 HydrophobicContact CB-CB 4.21Å; L118-A267 HydrophobicContact CD1-CB 4.28Å; L118-I294 HydrophobicContact CD1-CD1 3.7Å; L118-I294 HydrophobicContact CD1-CG1 3.87Å; L118-I294 HydrophobicContact CD1-CG2 3.9Å; L118-I294 HydrophobicContact CD2-CG2 4.13Å; L118-Y296 HydrophobicContact CD2-CD2 4.43Å
119L98.2Very high97.2Very high29 Ų2960 Ų6015%0.15231%0.308CS..EExtended strand (participates in β ladder)trans-81.596176.7-55.1-175.6000110.4L254 F257 F264 G265 A266 A267L119-L254 HydrophobicContact CB-CD2 3.81Å; L119-L254 HydrophobicContact CD1-CB 4.27Å; L119-L254 HydrophobicContact CD1-CD2 3.94Å; L119-F257 HydrophobicContact CD1-CB 4.3Å; L119-F257 HydrophobicContact CD1-CD1 3.9Å; L119-F257 HydrophobicContact CD1-CG 4.48Å; L119-F257 HydrophobicContact CD2-CD1 3.53Å; L119-F257 HydrophobicContact CD2-CE1 3.61Å; L119-F257 HydrophobicContact CG-CD1 4.37Å; L119-F264 HydrophobicContact CD1-CD2 4.2Å; L119-G265 PolarHBondContact N-O 3.46Å; L119-A266 HydrophobicContact CB-CB 4.21Å; L119-A266 CarbonylContact O-C 3.46Å; L119-A266 VanDerWaalsContact O-CA 3.29Å; L119-A266 WeakPolarHBondContact O-CA 3.46Å; L119-A267 PolarHBondContact O-N 3.25Å
120E98.4Very high97.1Very high80 Ų8060.4 Ų60.437%0.37432%0.321SS..EExtended strand (participates in β ladder)trans-70.2130.9176.9-161.8178.5169.700111.8R109 I113 L118 A267R109-E120 WeakPolarHBondContact CD-OE2 3.48Å; R109-E120 IonicContact CZ-OE1 2.78Å; R109-E120 IonicContact CZ-OE2 3.75Å; R109-E120 VanDerWaalsContact NE-CD 3.3Å; R109-E120 IonicContact NE-OE1 3.86Å; R109-E120 PolarHBondContact NE-OE1 3.19Å; R109-E120 IonicContact NE-OE2 3.47Å; R109-E120 PolarHBondContact NE-OE2 3.5Å; R109-E120 IonicContact NH2-OE1 3.58Å; R109-E120 PolarHBondContact NH2-OE1 2.57Å; R109-E120 IonicContact NH2-OE2 2.74Å; I113-E120 HydrophobicContact CD1-CB 3.91Å; I113-E120 HydrophobicContact CD1-CG 3.76Å; I113-E120 VanDerWaalsContact CD1-OE2 3.28Å; I113-E120 WeakPolarHBondContact CD1-OE2 3.49Å; I113-E120 HydrophobicContact CG2-CB 4.37Å; L118-E120 PolarHBondContact O-N 3.41Å; E120-A267 CarbonylContact C-O 3.51Å; E120-A267 WeakPolarHBondContact CA-O 3.34Å
121V97.7Very high97.1Very high37 Ų3756.7 Ų56.722%0.22431%0.306CS..  trans-132.8149.8174.5-68.30000111.9I247 L254 A267 Q268V121-I247 HydrophobicContact CG2-CG1 3.84Å; V121-L254 HydrophobicContact CG1-CD2 3.85Å; V121-A267 PolarHBondContact N-O 2.71Å; V121-Q268 WeakPolarHBondContact O-CB 3.22Å; V121-Q268 VanDerWaalsContact O-CG 3.26Å; V121-Q268 WeakPolarHBondContact O-CG 3.23Å
122D98.1Very high97Very high133 Ų13355.2 Ų55.271%0.71130%0.3SS*.  trans-120.197169.1-168.527.4000111.8Q268D122-Q268 PolarHBondContact OD1-NE2 3.14Å
123C97.8Very high96.8Very high22 Ų2260.4 Ų60.415%0.14932%0.324CS..  trans-85162175-58.40000112.1R240 G246 N250 Q268C123-R240 PolarHBondContact O-NH1 3.04Å; C123-G246 VanDerWaalsContact SG-C 3.54Å; C123-G246 PolarHBondContact SG-O 3.42Å; C123-N250 PolarHBondContact SG-ND2 3.12Å; C123-N250 VanDerWaalsContact SG-ND2 3.44Å; C123-Q268 PolarHBondContact O-NE2 3.4Å; C123-Q268 VanDerWaalsContact O-NE2 3.17Å
124S98Very high96.6Very high83 Ų8360.4 Ų60.458%0.5833%0.327SS*.  trans-63.8149.7-177.958.20000114.3L126 R240S124-L126 PolarHBondContact OG-O 2.87Å; S124-R240 VanDerWaalsContact C-NH1 3.27Å; S124-R240 PolarHBondContact O-NH1 3.31Å
125M98.1Very high96.4Very high71 Ų7155.1 Ų55.135%0.3530%0.299SS..SBendtrans-79.3-28.6171.6-68.4179.7-66.500113L239 R240 F273M125-L239 WeakPolarHBondContact O-CA 3.48Å; M125-R240 PolarHBondContact O-N 2.84Å; M125-F273 HydrophobicContact CB-CE2 4.07Å; M125-F273 HydrophobicContact CG-CE2 4.06Å; M125-F273 HydrophobicContact SD-CE2 3.77Å; M125-F273 HydrophobicContact SD-CZ 3.81Å
126L97.5Very high96Very high79 Ų7951.6 Ų51.641%0.41428%0.284SS..EExtended strand (participates in β ladder)trans-78.5129.5170-70.9168.4000109.3S124 T227 L239S124-L126 PolarHBondContact OG-O 2.87Å; L126-T227 HydrophobicContact CD2-CG2 3.63Å; L126-L239 HydrophobicContact CD2-CD2 3.92Å
127T97.4Very high95.7Very high17 Ų1751.3 Ų51.310%0.10428%0.282CS..EExtended strand (participates in β ladder)trans-130.7124.3-178.2-54.70000110V131 L132 G237 Y238T127-V131 HydrophobicContact CG2-CB 3.83Å; T127-V131 HydrophobicContact CG2-CG1 4.01Å; T127-V131 HydrophobicContact CG2-CG2 4.47Å; T127-L132 HydrophobicContact CG2-CD1 3.79Å; T127-L132 HydrophobicContact CG2-CD2 4.47Å; T127-L132 HydrophobicContact CG2-CG 3.75Å; T127-G237 CarbonylContact O-C 3.59Å; T127-G237 WeakPolarHBondContact O-CA 3.28Å; T127-Y238 PolarHBondContact N-O 2.97Å; T127-Y238 PolarHBondContact O-N 2.85Å
128P96.8Very high95.4Very high53 Ų5345.2 Ų45.234%0.34426%0.256SS..EExtended strand (participates in β ladder)trans-61.7145174.9-23.834.8000112.5P130 V131 I229P128-P130 VanDerWaalsContact C-CD 3.46Å; P128-V131 PolarHBondContact O-N 2.99Å; P128-V131 VanDerWaalsContact O-N 3.15Å; P128-I229 HydrophobicContact CG-CD1 4.47Å
129E95.7Very high94.7Very high39 Ų3950 Ų5018%0.18228%0.281CS..Hα-helixtrans-50.6-43.1-178.6171.1147.6-109.900114.8V131 L132 Q133 V138 K236 Y238E129-V131 VanDerWaalsContact C-N 3.25Å; E129-V131 PolarHBondContact O-N 3.12Å; E129-V131 VanDerWaalsContact O-N 3.16Å; E129-L132 PolarHBondContact O-N 3.07Å; E129-L132 VanDerWaalsContact O-N 3.12Å; E129-Q133 PolarHBondContact O-N 3.09Å; E129-V138 HydrophobicContact CG-CG2 4.37Å; E129-K236 HydrophobicContact CB-CB 4.49Å; E129-K236 HydrophobicContact CB-CG 4.48Å; E129-K236 WeakPolarHBondContact CB-O 3.31Å; E129-K236 PolarHBondContact N-O 3.21Å; E129-K236 IonicContact OE1-NZ 3.99Å; E129-K236 PolarHBondContact OE1-NZ 2.94Å; E129-K236 VanDerWaalsContact OE2-CD 3.24Å; E129-K236 WeakPolarHBondContact OE2-CD 3.38Å; E129-K236 WeakPolarHBondContact OE2-CE 3.46Å; E129-K236 WeakPolarHBondContact OE2-CG 3.15Å; E129-K236 IonicContact OE2-NZ 2.67Å; E129-K236 PolarHBondContact OE2-NZ 3.49Å; E129-Y238 HydrophobicContact CB-CD2 4.47Å; E129-Y238 HydrophobicContact CB-CE2 3.92Å; E129-Y238 HydrophobicContact CG-CE2 4.03Å; E129-Y238 VanDerWaalsContact OE1-CE2 3.31Å; E129-Y238 WeakPolarHBondContact OE1-CE2 3.29Å; E129-Y238 PolarHBondContact OE1-OH 3.46Å
130P95.8Very high93.9Very high88 Ų8855.4 Ų55.457%0.57130%0.3SS*.Hα-helixtrans-58.5-29.9-179.6-28.236.9000115.3P128 A134P128-P130 VanDerWaalsContact C-CD 3.46Å; P130-A134 WeakPolarHBondContact O-CB 3.29Å; P130-A134 PolarHBondContact O-N 3.42Å
131V96.3Very high93Very high36 Ų3653.6 Ų53.622%0.21829%0.291CS..Hα-helixtrans-71.1-41.9178.1-176.70000110.6T127 P128 E129 Q133 A134 S135 V249T127-V131 HydrophobicContact CG2-CB 3.83Å; T127-V131 HydrophobicContact CG2-CG1 4.01Å; T127-V131 HydrophobicContact CG2-CG2 4.47Å; P128-V131 PolarHBondContact O-N 2.99Å; P128-V131 VanDerWaalsContact O-N 3.15Å; E129-V131 VanDerWaalsContact C-N 3.25Å; E129-V131 PolarHBondContact O-N 3.12Å; E129-V131 VanDerWaalsContact O-N 3.16Å; V131-Q133 VanDerWaalsContact C-N 3.33Å; V131-A134 PolarHBondContact O-N 3.23Å; V131-S135 PolarHBondContact O-N 3.3Å; V131-S135 VanDerWaalsContact O-N 3.15Å; V131-S135 PolarHBondContact O-OG 3.39Å; V131-V249 HydrophobicContact CG1-CG1 4.02Å
132L94.8Very high92.2Very high1 Ų154.1 Ų54.11%0.00529%0.294CS..Hα-helixtrans-77.3-21.9177.6-70.5164.2000112.2T127 E129 S135 G136 H137 V138 M224 Y238 P241T127-L132 HydrophobicContact CG2-CD1 3.79Å; T127-L132 HydrophobicContact CG2-CD2 4.47Å; T127-L132 HydrophobicContact CG2-CG 3.75Å; E129-L132 PolarHBondContact O-N 3.07Å; E129-L132 VanDerWaalsContact O-N 3.12Å; L132-S135 WeakPolarHBondContact CA-OG 3.42Å; L132-S135 PolarHBondContact O-OG 3.16Å; L132-G136 PolarHBondContact O-N 3Å; L132-H137 HydrophobicContact CB-CB 4.25Å; L132-H137 HydrophobicContact CD2-CB 3.98Å; L132-H137 WeakPolarHBondContact O-CB 3.26Å; L132-H137 PolarHBondContact O-N 2.79Å; L132-V138 HydrophobicContact CB-CG2 3.98Å; L132-V138 PolarHBondContact O-N 3.11Å; L132-V138 VanDerWaalsContact O-N 3.12Å; L132-M224 HydrophobicContact CB-CE 4.45Å; L132-M224 HydrophobicContact CB-SD 4.33Å; L132-M224 HydrophobicContact CD1-SD 3.87Å; L132-M224 HydrophobicContact CD2-SD 4.14Å; L132-M224 HydrophobicContact CG-SD 4.33Å; L132-Y238 HydrophobicContact CD1-CD2 3.8Å; L132-Y238 HydrophobicContact CD1-CG 4.06Å; L132-P241 HydrophobicContact CD2-CG 4.03Å
133Q93.6Very high91.6Very high108 Ų10848.6 Ų48.651%0.50527%0.265SS..Hα-helixtrans-73.3-44.1168.4-166.2174.319.500111.3E129 V131 S135 G136 V138E129-Q133 PolarHBondContact O-N 3.09Å; V131-Q133 VanDerWaalsContact C-N 3.33Å; Q133-S135 VanDerWaalsContact C-N 3.34Å; Q133-S135 PolarHBondContact O-N 3.14Å; Q133-G136 PolarHBondContact O-N 2.88Å; Q133-V138 HydrophobicContact CB-CB 4.36Å; Q133-V138 HydrophobicContact CB-CG2 4.14Å
134A93.3Very high91.1Very high17 Ų1749.1 Ų49.114%0.1427%0.266CS..Hα-helixtrans-59.5-42.2176.300000112.5P130 V131 G136 Q414 A418P130-A134 WeakPolarHBondContact O-CB 3.29Å; P130-A134 PolarHBondContact O-N 3.42Å; V131-A134 PolarHBondContact O-N 3.23Å; A134-G136 PolarHBondContact O-N 3.18Å; A134-Q414 VanDerWaalsContact O-CB 3.31Å; A134-Q414 WeakPolarHBondContact O-CB 3.33Å; A134-A418 HydrophobicContact CB-CB 3.62Å
135S91.5Very high90.7Very high2 Ų246 Ų461%0.01424%0.242CC..THydrogen-bonded Turntrans-74.80.3173.961.80000114.8V131 L132 Q133 H137V131-S135 PolarHBondContact O-N 3.3Å; V131-S135 VanDerWaalsContact O-N 3.15Å; V131-S135 PolarHBondContact O-OG 3.39Å; L132-S135 WeakPolarHBondContact CA-OG 3.42Å; L132-S135 PolarHBondContact O-OG 3.16Å; Q133-S135 VanDerWaalsContact C-N 3.34Å; Q133-S135 PolarHBondContact O-N 3.14Å; S135-H137 PolarHBondContact O-N 3.2Å; S135-H137 PolarHBondContact OG-ND1 3Å
136G87.5Confident90.5Very high7 Ų742.7 Ų42.77%0.07223%0.226CC..THydrogen-bonded Turntrans74.80.3179.600000115.7L132 Q133 A134 V138 D139 R140L132-G136 PolarHBondContact O-N 3Å; Q133-G136 PolarHBondContact O-N 2.88Å; A134-G136 PolarHBondContact O-N 3.18Å; G136-V138 PolarHBondContact O-N 2.76Å; G136-D139 PolarHBondContact O-N 3.3Å; G136-R140 WeakPolarHBondContact O-CB 3.34Å; G136-R140 PolarHBondContact O-N 2.88Å
137H89.8Confident90.1Very high14 Ų1442.7 Ų42.77%0.06522%0.222CC..Hα-helixtrans-62.1-37.9178.8-81.893.7000113.2L132 S135 D139 F141 M224 P241 E242L132-H137 HydrophobicContact CB-CB 4.25Å; L132-H137 HydrophobicContact CD2-CB 3.98Å; L132-H137 WeakPolarHBondContact O-CB 3.26Å; L132-H137 PolarHBondContact O-N 2.79Å; S135-H137 PolarHBondContact O-N 3.2Å; S135-H137 PolarHBondContact OG-ND1 3Å; H137-D139 VanDerWaalsContact C-N 3.27Å; H137-D139 PolarHBondContact O-N 3.29Å; H137-F141 AromaticContact CD2-CD2 3.8Å; H137-F141 WeakPolarHBondContact O-CB 3.38Å; H137-F141 PolarHBondContact O-N 3.15Å; H137-M224 HydrophobicContact CB-CE 4.19Å; H137-M224 HydrophobicContact CB-SD 3.89Å; H137-P241 VanDerWaalsContact CD2-CG 3.46Å; H137-P241 WeakPolarHBondContact CD2-CG 3.4Å; H137-E242 VanDerWaalsContact CE1-CD 3.46Å; H137-E242 IonicContact CE1-OE1 2.74Å; H137-E242 PolarHBondContact CE1-OE1 2.9Å; H137-E242 IonicContact CE1-OE2 3.89Å; H137-E242 IonicContact NE2-OE2 3.75Å
138V88.4Confident89.8Confident25 Ų2542 Ų4215%0.15222%0.218CC..Hα-helixtrans-59.6-39.8179172.80000111.8E129 L132 Q133 G136 N222 M224 Y238E129-V138 HydrophobicContact CG-CG2 4.37Å; L132-V138 HydrophobicContact CB-CG2 3.98Å; L132-V138 PolarHBondContact O-N 3.11Å; L132-V138 VanDerWaalsContact O-N 3.12Å; Q133-V138 HydrophobicContact CB-CB 4.36Å; Q133-V138 HydrophobicContact CB-CG2 4.14Å; G136-V138 PolarHBondContact O-N 2.76Å; V138-N222 PolarHBondContact O-ND2 3.28Å; V138-M224 HydrophobicContact CB-CE 4.45Å; V138-M224 HydrophobicContact CG2-CE 3.93Å; V138-Y238 HydrophobicContact CG2-CE2 4.08Å
139D84.3Confident89.5Confident108 Ų10843.9 Ų43.958%0.57823%0.228SC*.Hα-helixtrans-90.9-23-173.5-54-37.1000113.6G136 H137G136-D139 PolarHBondContact O-N 3.3Å; H137-D139 VanDerWaalsContact C-N 3.27Å; H137-D139 PolarHBondContact O-N 3.29Å
140R80.4Confident89.1Confident144 Ų14449.5 Ų49.554%0.54325%0.252SS..Hα-helixtrans-116.8-14.8-169.8-63.3177.7170.2177.1-7115G136 T142 H382G136-R140 WeakPolarHBondContact O-CB 3.34Å; G136-R140 PolarHBondContact O-N 2.88Å; R140-T142 PolarHBondContact O-N 2.77Å; R140-T142 VanDerWaalsContact O-N 3.12Å; R140-H382 PolarHBondContact NH1-CD2 3.5Å; R140-H382 PolarHBondContact NH1-NE2 2.89Å
141F80.2Confident88.6Confident41 Ų4148.8 Ų48.818%0.1825%0.246CC..  trans-90.552.9-176.9-146.4-114000111H137 L223 M224 P241 R274H137-F141 AromaticContact CD2-CD2 3.8Å; H137-F141 WeakPolarHBondContact O-CB 3.38Å; H137-F141 PolarHBondContact O-N 3.15Å; F141-L223 HydrophobicContact CD1-CB 3.52Å; F141-L223 HydrophobicContact CE1-CB 3.69Å; F141-L223 HydrophobicContact CG-CB 4.37Å; F141-L223 PolarHBondContact O-N 2.88Å; F141-M224 HydrophobicContact CD1-CG 3.7Å; F141-M224 HydrophobicContact CE1-CG 4.38Å; F141-P241 HydrophobicContact CD1-CB 4.19Å; F141-P241 HydrophobicContact CE1-CB 3.63Å; F141-P241 HydrophobicContact CZ-CB 3.87Å; F141-R274 HydrophobicContact CE1-CG 4.06Å; F141-R274 HydrophobicContact CZ-CG 4.03Å
142T81.9Confident88Confident49 Ų4948.8 Ų48.830%0.30125%0.254SS..EExtended strand (participates in β ladder)trans-124.1136.6-174.947.40000111.5R140 F221 N222R140-T142 PolarHBondContact O-N 2.77Å; R140-T142 VanDerWaalsContact O-N 3.12Å; T142-F221 WeakPolarHBondContact CA-O 3.24Å; T142-N222 HydrophobicContact CG2-CB 4.2Å
143D84Confident87.5Confident17 Ų1752.1 Ų52.19%0.09127%0.272CS..EExtended strand (participates in β ladder)trans-110.6154.4171.1-94.4-7.8000110.2R156 E220 F221 L223 I277D143-R156 HydrophobicContact CB-CG 4.25Å; D143-R156 IonicContact OD1-CZ 2.6Å; D143-R156 IonicContact OD1-NE 2.72Å; D143-R156 IonicContact OD1-NH1 2.87Å; D143-R156 PolarHBondContact OD1-NH1 3.41Å; D143-R156 IonicContact OD1-NH2 3.84Å; D143-R156 WeakPolarHBondContact OD2-CD 3.32Å; D143-R156 IonicContact OD2-CZ 2.83Å; D143-R156 IonicContact OD2-NE 4Å; D143-R156 PolarHBondContact OD2-NE 2.89Å; D143-R156 IonicContact OD2-NH1 3.96Å; D143-R156 PolarHBondContact OD2-NH1 3.45Å; D143-E220 CarbonylContact O-C 3.5Å; D143-E220 WeakPolarHBondContact O-CA 3.49Å; D143-F221 PolarHBondContact N-O 3.2Å; D143-F221 PolarHBondContact O-N 2.99Å; D143-L223 HydrophobicContact CB-CD1 4.32Å; D143-L223 HydrophobicContact CB-CD2 4.14Å; D143-L223 HydrophobicContact CB-CG 4.33Å; D143-I277 HydrophobicContact CB-CD1 3.39Å
144L87.4Confident87.2Confident33 Ų3348.8 Ų48.817%0.17326%0.26CS..EExtended strand (participates in β ladder)trans-82.7122.8168-65.6177000110.3A157 A194 L197 E220L144-A157 HydrophobicContact CB-CB 4.07Å; L144-A157 WeakPolarHBondContact O-CB 3.44Å; L144-A157 PolarHBondContact O-N 3.11Å; L144-A194 HydrophobicContact CD2-CB 3.98Å; L144-L197 HydrophobicContact CB-CD1 4.25Å; L144-L197 HydrophobicContact CD1-CD1 3.65Å; L144-L197 HydrophobicContact CD1-CG 4.48Å; L144-E220 HydrophobicContact CD2-CG 3.88Å
145M90.7Very high86.9Confident18 Ų1848.8 Ų48.89%0.08926%0.257CS..EExtended strand (participates in β ladder)trans-116.6136.7-177.7178-176.256.800111.4K147 C154 F155 P218 K219 F221 I277M145-K147 VanDerWaalsContact CE-CE 3.4Å; M145-C154 HydrophobicContact CG-CB 4.32Å; M145-C154 HydrophobicContact SD-CB 3.87Å; M145-F155 WeakPolarHBondContact CA-O 3.27Å; M145-P218 CarbonylContact O-C 3.45Å; M145-P218 WeakPolarHBondContact O-CA 3.44Å; M145-K219 PolarHBondContact N-O 2.65Å; M145-K219 PolarHBondContact O-N 2.76Å; M145-F221 HydrophobicContact CB-CB 3.91Å; M145-F221 HydrophobicContact CB-CG 4.49Å; M145-F221 HydrophobicContact CE-CB 4.06Å; M145-F221 HydrophobicContact CE-CD2 3.47Å; M145-F221 VanDerWaalsContact CE-CD2 3.47Å; M145-F221 HydrophobicContact CE-CE2 4.16Å; M145-F221 HydrophobicContact CE-CG 3.95Å; M145-F221 HydrophobicContact SD-CB 4.45Å; M145-F221 HydrophobicContact SD-CD2 3.94Å; M145-F221 HydrophobicContact SD-CE2 4.34Å; M145-F221 HydrophobicContact SD-CG 4.09Å; M145-I277 HydrophobicContact CB-CD1 3.9Å; M145-I277 HydrophobicContact CG-CD1 4.44Å; M145-I277 HydrophobicContact CG-CG2 4.02Å; M145-I277 HydrophobicContact SD-CG2 4.36Å
146V92Very high86.6Confident0 Ų051.3 Ų51.30%027%0.266CS..EExtended strand (participates in β ladder)trans-115.9159165.4-67.30000110.7F155 A157 L160 I201 L215 T216 P218V146-F155 HydrophobicContact CG2-CB 4.12Å; V146-F155 PolarHBondContact N-O 3.39Å; V146-F155 PolarHBondContact O-N 3.04Å; V146-A157 HydrophobicContact CG1-CB 3.98Å; V146-A157 HydrophobicContact CG2-CB 4.41Å; V146-L160 HydrophobicContact CG2-CD2 3.84Å; V146-I201 HydrophobicContact CG1-CD1 3.87Å; V146-L215 HydrophobicContact CG2-CD1 4.38Å; V146-L215 HydrophobicContact CG2-CD2 4.41Å; V146-T216 WeakPolarHBondContact CG1-O 3.36Å; V146-P218 HydrophobicContact CG1-CB 3.94Å; V146-P218 HydrophobicContact CG1-CG 3.7Å
147K91Very high86.7Confident79 Ų7951 Ų5134%0.34326%0.263SS..EExtended strand (participates in β ladder)trans-127.9146.4177.6-52.7-164179.1-144.10112.6M145 V149 D153 C154 L215 T216M145-K147 VanDerWaalsContact CE-CE 3.4Å; K147-V149 PolarHBondContact O-N 3.06Å; K147-D153 CarbonylContact C-O 3.54Å; K147-D153 VanDerWaalsContact CA-O 3.24Å; K147-D153 WeakPolarHBondContact CA-O 3.26Å; K147-C154 VanDerWaalsContact CD-SG 3.58Å; K147-C154 WeakPolarHBondContact CE-SG 3.3Å; K147-C154 PolarHBondContact NZ-SG 2.74Å; K147-L215 CarbonylContact O-C 3.55Å; K147-L215 VanDerWaalsContact O-CA 3.3Å; K147-L215 WeakPolarHBondContact O-CA 3.29Å; K147-T216 HydrophobicContact CB-CG2 4Å; K147-T216 PolarHBondContact N-OG1 3.19Å; K147-T216 PolarHBondContact O-N 2.88Å
148D90.5Very high86.4Confident2 Ų251.3 Ų51.31%0.01127%0.265CS..BIsolated β-bridgetrans-61.2125.9163.5-175.8-51.8000109.9K150 T151 G152 D153 F155 S208 T211 N213D148-K150 PolarHBondContact O-N 3.3Å; D148-K150 PolarHBondContact OD1-N 3.11Å; D148-T151 WeakPolarHBondContact CB-OG1 3.43Å; D148-T151 PolarHBondContact OD1-N 3.45Å; D148-T151 PolarHBondContact OD1-OG1 3.28Å; D148-T151 PolarHBondContact OD2-OG1 2.89Å; D148-G152 VanDerWaalsContact O-CA 3.29Å; D148-G152 WeakPolarHBondContact O-CA 3.45Å; D148-G152 PolarHBondContact O-N 3.39Å; D148-D153 HydrophobicContact CB-CB 4.06Å; D148-D153 PolarHBondContact N-O 2.94Å; D148-F155 HydrophobicContact CB-CE2 4.46Å; D148-S208 WeakPolarHBondContact OD2-CB 3.4Å; D148-S208 PolarHBondContact OD2-OG 2.87Å; D148-T211 WeakPolarHBondContact OD2-CB 3.3Å; D148-T211 WeakPolarHBondContact OD2-CG2 3.16Å; D148-T211 PolarHBondContact OD2-OG1 3.46Å; D148-N213 WeakPolarHBondContact OD1-CB 3.39Å; D148-N213 PolarHBondContact OD1-ND2 3.41Å; D148-N213 WeakPolarHBondContact OD2-CB 3.41Å; D148-N213 PolarHBondContact OD2-ND2 3.2Å
149V90.4Very high86.2Confident93 Ų9354.6 Ų54.656%0.56428%0.279SS*.THydrogen-bonded Turntrans-68.8-19-174.6171.70000113.3K147 D214 T216K147-V149 PolarHBondContact O-N 3.06Å; V149-D214 WeakPolarHBondContact CB-O 3.31Å; V149-D214 VanDerWaalsContact CG2-O 3.31Å; V149-D214 WeakPolarHBondContact CG2-O 3.21Å; V149-D214 PolarHBondContact N-O 3Å; V149-T216 HydrophobicContact CG2-CG2 4.1Å
150K86.9Confident86.4Confident157 Ų15749.9 Ų49.968%0.68325%0.253SS*.THydrogen-bonded Turntrans-106.9-40-179.5-50.5-176.5-163.8150.70113.6D148 N213D148-K150 PolarHBondContact O-N 3.3Å; D148-K150 PolarHBondContact OD1-N 3.11Å; K150-N213 VanDerWaalsContact CD-OD1 3.29Å; K150-N213 WeakPolarHBondContact CD-OD1 3.2Å; K150-N213 WeakPolarHBondContact CE-OD1 3.46Å; K150-N213 HydrophobicContact CG-CB 4.46Å; K150-N213 PolarHBondContact NZ-OD1 2.67Å
151T85.8Confident86.9Confident73 Ų7343 Ų4345%0.44823%0.227SC..THydrogen-bonded Turntrans-93-24.1-179.763.60000113.2D148 D153 T211D148-T151 WeakPolarHBondContact CB-OG1 3.43Å; D148-T151 PolarHBondContact OD1-N 3.45Å; D148-T151 PolarHBondContact OD1-OG1 3.28Å; D148-T151 PolarHBondContact OD2-OG1 2.89Å; T151-D153 VanDerWaalsContact C-N 3.26Å; T151-D153 VanDerWaalsContact CB-OD2 3.28Å; T151-D153 WeakPolarHBondContact CB-OD2 3.09Å; T151-D153 WeakPolarHBondContact OG1-CB 3.33Å; T151-D153 PolarHBondContact OG1-N 3.21Å; T151-D153 PolarHBondContact OG1-OD2 2.84Å; T151-T211 HydrophobicContact CG2-CG2 3.92Å
152G84.1Confident87.2Confident37 Ų3743.7 Ų43.738%0.38123%0.23SC..  trans78.93.9-17200000114.4D148 C154D148-G152 VanDerWaalsContact O-CA 3.29Å; D148-G152 WeakPolarHBondContact O-CA 3.45Å; D148-G152 PolarHBondContact O-N 3.39Å; G152-C154 PolarHBondContact O-N 3.07Å; G152-C154 PolarHBondContact O-SG 3Å
153D83.4Confident87.4Confident70 Ų7044.1 Ų44.137%0.37424%0.235SC..  trans-54128.4177.2-72.4-49.2000110.9K147 D148 T151 F155K147-D153 CarbonylContact C-O 3.54Å; K147-D153 VanDerWaalsContact CA-O 3.24Å; K147-D153 WeakPolarHBondContact CA-O 3.26Å; D148-D153 HydrophobicContact CB-CB 4.06Å; D148-D153 PolarHBondContact N-O 2.94Å; T151-D153 VanDerWaalsContact C-N 3.26Å; T151-D153 VanDerWaalsContact CB-OD2 3.28Å; T151-D153 WeakPolarHBondContact CB-OD2 3.09Å; T151-D153 WeakPolarHBondContact OG1-CB 3.33Å; T151-D153 PolarHBondContact OG1-N 3.21Å; T151-D153 PolarHBondContact OG1-OD2 2.84Å; D153-F155 HydrophobicContact CB-CE2 3.76Å; D153-F155 HydrophobicContact CB-CZ 3.81Å; D153-F155 WeakPolarHBondContact O-CE2 3.46Å
154C87.5Confident87.6Confident39 Ų3944.9 Ų44.926%0.26424%0.242SC..EExtended strand (participates in β ladder)trans-100.7130.2-172.4-60.80000111.1M145 K147 G152 I277 S278M145-C154 HydrophobicContact CG-CB 4.32Å; M145-C154 HydrophobicContact SD-CB 3.87Å; K147-C154 VanDerWaalsContact CD-SG 3.58Å; K147-C154 WeakPolarHBondContact CE-SG 3.3Å; K147-C154 PolarHBondContact NZ-SG 2.74Å; G152-C154 PolarHBondContact O-N 3.07Å; G152-C154 PolarHBondContact O-SG 3Å; C154-I277 HydrophobicContact CB-CG2 4.11Å; C154-S278 PolarHBondContact O-OG 3.11Å
155F86.4Confident87.8Confident17 Ų1743.3 Ų43.38%0.07523%0.234CC..EExtended strand (participates in β ladder)trans-127.7140.1179.1-52.9-83.7000110.3M145 V146 D148 D153 A157 L160 P209 L215M145-F155 WeakPolarHBondContact CA-O 3.27Å; V146-F155 HydrophobicContact CG2-CB 4.12Å; V146-F155 PolarHBondContact N-O 3.39Å; V146-F155 PolarHBondContact O-N 3.04Å; D148-F155 HydrophobicContact CB-CE2 4.46Å; D153-F155 HydrophobicContact CB-CE2 3.76Å; D153-F155 HydrophobicContact CB-CZ 3.81Å; D153-F155 WeakPolarHBondContact O-CE2 3.46Å; F155-A157 PolarHBondContact O-N 3.43Å; F155-L160 HydrophobicContact CB-CB 4.21Å; F155-L160 HydrophobicContact CB-CD2 3.85Å; F155-L160 HydrophobicContact CD2-CD2 4.2Å; F155-L160 HydrophobicContact CG-CD2 4.05Å; F155-P209 HydrophobicContact CD1-CG 4.34Å; F155-P209 HydrophobicContact CE1-CG 3.75Å; F155-P209 HydrophobicContact CZ-CG 4.05Å; F155-L215 HydrophobicContact CD2-CD2 4.39Å
156R86.7Confident87.6Confident55 Ų5545.8 Ų45.821%0.20825%0.245CC..EExtended strand (participates in β ladder)trans-69.7124.2169.2-161.3-166.3144.7130.7-5.7108.3D143 D158 H159 L160 I277D143-R156 HydrophobicContact CB-CG 4.25Å; D143-R156 IonicContact OD1-CZ 2.6Å; D143-R156 IonicContact OD1-NE 2.72Å; D143-R156 IonicContact OD1-NH1 2.87Å; D143-R156 PolarHBondContact OD1-NH1 3.41Å; D143-R156 IonicContact OD1-NH2 3.84Å; D143-R156 WeakPolarHBondContact OD2-CD 3.32Å; D143-R156 IonicContact OD2-CZ 2.83Å; D143-R156 IonicContact OD2-NE 4Å; D143-R156 PolarHBondContact OD2-NE 2.89Å; D143-R156 IonicContact OD2-NH1 3.96Å; D143-R156 PolarHBondContact OD2-NH1 3.45Å; R156-D158 WeakPolarHBondContact CD-OD1 3.48Å; R156-D158 WeakPolarHBondContact CG-OD1 3.47Å; R156-D158 IonicContact CZ-OD1 2.69Å; R156-D158 IonicContact CZ-OD2 2.63Å; R156-D158 VanDerWaalsContact CZ-OD2 3.3Å; R156-D158 VanDerWaalsContact NE-CG 3.32Å; R156-D158 IonicContact NE-OD1 3.22Å; R156-D158 PolarHBondContact NE-OD1 3.15Å; R156-D158 IonicContact NE-OD2 3.74Å; R156-D158 PolarHBondContact NE-OD2 2.58Å; R156-D158 IonicContact NH2-OD1 2.66Å; R156-D158 IonicContact NH2-OD2 2.79Å; R156-D158 PolarHBondContact NH2-OD2 2.79Å; R156-H159 HydrophobicContact CB-CB 4.29Å; R156-H159 PolarHBondContact NE-CD2 2.92Å; R156-H159 PolarHBondContact O-N 3.42Å; R156-L160 WeakPolarHBondContact O-CB 3.49Å; R156-L160 PolarHBondContact O-N 3.31Å; R156-I277 HydrophobicContact CB-CB 4.41Å; R156-I277 HydrophobicContact CB-CD1 4.23Å; R156-I277 HydrophobicContact CB-CG2 4.44Å; R156-I277 HydrophobicContact CG-CD1 4.04Å
157A88.5Confident87.3Confident0 Ų048.6 Ų48.60%027%0.268CS..Hα-helixtrans-69.3-45.9-160.100000112.9L144 V146 F155 L160 V161 L197 P218L144-A157 HydrophobicContact CB-CB 4.07Å; L144-A157 WeakPolarHBondContact O-CB 3.44Å; L144-A157 PolarHBondContact O-N 3.11Å; V146-A157 HydrophobicContact CG1-CB 3.98Å; V146-A157 HydrophobicContact CG2-CB 4.41Å; F155-A157 PolarHBondContact O-N 3.43Å; A157-L160 PolarHBondContact O-N 3.01Å; A157-V161 WeakPolarHBondContact O-CB 3.29Å; A157-V161 VanDerWaalsContact O-CG2 3.27Å; A157-V161 WeakPolarHBondContact O-CG2 3.39Å; A157-V161 PolarHBondContact O-N 2.95Å; A157-L197 HydrophobicContact CB-CD1 3.8Å; A157-P218 HydrophobicContact CB-CB 4.28Å
158D84.2Confident87.2Confident21 Ų2148 Ų4811%0.11227%0.265CS..Hα-helixtrans-56.2-49.3173.760.9-19.1000112R156 V161 K162R156-D158 WeakPolarHBondContact CD-OD1 3.48Å; R156-D158 WeakPolarHBondContact CG-OD1 3.47Å; R156-D158 IonicContact CZ-OD1 2.69Å; R156-D158 IonicContact CZ-OD2 2.63Å; R156-D158 VanDerWaalsContact CZ-OD2 3.3Å; R156-D158 VanDerWaalsContact NE-CG 3.32Å; R156-D158 IonicContact NE-OD1 3.22Å; R156-D158 PolarHBondContact NE-OD1 3.15Å; R156-D158 IonicContact NE-OD2 3.74Å; R156-D158 PolarHBondContact NE-OD2 2.58Å; R156-D158 IonicContact NH2-OD1 2.66Å; R156-D158 IonicContact NH2-OD2 2.79Å; R156-D158 PolarHBondContact NH2-OD2 2.79Å; D158-V161 PolarHBondContact O-N 2.95Å; D158-K162 VanDerWaalsContact O-CB 3.28Å; D158-K162 WeakPolarHBondContact O-CB 3.23Å; D158-K162 PolarHBondContact O-N 2.79Å
159H84.1Confident87Confident94 Ų9451.8 Ų51.844%0.43528%0.282SS..Hα-helixtrans-62.3-43.3177.7-83.5-135000112.1R156 K162 S163R156-H159 HydrophobicContact CB-CB 4.29Å; R156-H159 PolarHBondContact NE-CD2 2.92Å; R156-H159 PolarHBondContact O-N 3.42Å; H159-K162 PolarHBondContact O-N 2.69Å; H159-S163 PolarHBondContact O-N 2.96Å; H159-S163 PolarHBondContact O-OG 3.39Å
160L88.3Confident86.7Confident8 Ų852 Ų524%0.04229%0.287CS..Hα-helixtrans-65.7-47.1178.6177.957.4000111V146 F155 R156 A157 K162 S163 S164 I206 P209 L215V146-L160 HydrophobicContact CG2-CD2 3.84Å; F155-L160 HydrophobicContact CB-CB 4.21Å; F155-L160 HydrophobicContact CB-CD2 3.85Å; F155-L160 HydrophobicContact CD2-CD2 4.2Å; F155-L160 HydrophobicContact CG-CD2 4.05Å; R156-L160 WeakPolarHBondContact O-CB 3.49Å; R156-L160 PolarHBondContact O-N 3.31Å; A157-L160 PolarHBondContact O-N 3.01Å; L160-K162 PolarHBondContact O-N 3.48Å; L160-S163 PolarHBondContact O-N 3.21Å; L160-S163 PolarHBondContact O-OG 2.96Å; L160-S164 WeakPolarHBondContact O-CB 3.48Å; L160-S164 PolarHBondContact O-N 2.93Å; L160-S164 PolarHBondContact O-OG 3.46Å; L160-I206 HydrophobicContact CG-CG2 4.29Å; L160-P209 HydrophobicContact CD1-CG 3.99Å; L160-L215 HydrophobicContact CD2-CD1 3.54Å; L160-L215 HydrophobicContact CD2-CD2 4.16Å
161V90Very high86.6Confident0 Ų048.2 Ų48.20%028%0.275CS..Hα-helixtrans-60-47.3176.2174.20000110A157 D158 S163 S164 L165 L189 I200 I201 I206A157-V161 WeakPolarHBondContact O-CB 3.29Å; A157-V161 VanDerWaalsContact O-CG2 3.27Å; A157-V161 WeakPolarHBondContact O-CG2 3.39Å; A157-V161 PolarHBondContact O-N 2.95Å; D158-V161 PolarHBondContact O-N 2.95Å; V161-S163 PolarHBondContact O-N 3.02Å; V161-S164 PolarHBondContact O-N 2.79Å; V161-L165 HydrophobicContact CG1-CD1 3.59Å; V161-L165 HydrophobicContact CG1-CG 3.98Å; V161-L165 WeakPolarHBondContact O-CB 3.46Å; V161-L165 VanDerWaalsContact O-CG 3.26Å; V161-L165 WeakPolarHBondContact O-CG 3.47Å; V161-L165 PolarHBondContact O-N 3.37Å; V161-L189 HydrophobicContact CB-CD2 4.05Å; V161-L189 HydrophobicContact CG1-CD2 3.72Å; V161-I200 HydrophobicContact CG1-CG2 3.55Å; V161-I201 HydrophobicContact CG2-CD1 4.11Å; V161-I201 HydrophobicContact CG2-CG1 3.62Å; V161-I206 HydrophobicContact CB-CD1 4.24Å; V161-I206 HydrophobicContact CG1-CD1 3.93Å; V161-I206 HydrophobicContact CG2-CD1 3.98Å
162K87.3Confident86.5Confident55 Ų5554.7 Ų54.724%0.23930%0.297CS..Hα-helixtrans-50.7-56.6175.5-159.8164.6-168.6160.20112D158 H159 L160 S164 L165 E166 I186 L189D158-K162 VanDerWaalsContact O-CB 3.28Å; D158-K162 WeakPolarHBondContact O-CB 3.23Å; D158-K162 PolarHBondContact O-N 2.79Å; H159-K162 PolarHBondContact O-N 2.69Å; L160-K162 PolarHBondContact O-N 3.48Å; K162-S164 VanDerWaalsContact C-N 3.34Å; K162-S164 PolarHBondContact O-N 2.75Å; K162-L165 PolarHBondContact O-N 2.73Å; K162-E166 WeakPolarHBondContact O-CB 3.46Å; K162-E166 WeakPolarHBondContact O-CG 3.2Å; K162-E166 PolarHBondContact O-N 2.73Å; K162-I186 HydrophobicContact CG-CG2 4.45Å; K162-L189 HydrophobicContact CB-CD1 3.52Å; K162-L189 HydrophobicContact CD-CD1 4.12Å; K162-L189 HydrophobicContact CG-CD1 3.77Å
163S86.6Confident86.5Confident59 Ų5961.9 Ų61.941%0.41332%0.317SS..Hα-helixtrans-63.2-37.3-17865.20000113.3H159 L160 V161 A167H159-S163 PolarHBondContact O-N 2.96Å; H159-S163 PolarHBondContact O-OG 3.39Å; L160-S163 PolarHBondContact O-N 3.21Å; L160-S163 PolarHBondContact O-OG 2.96Å; V161-S163 PolarHBondContact O-N 3.02Å; S163-A167 VanDerWaalsContact O-CB 3.24Å; S163-A167 WeakPolarHBondContact O-CB 3.44Å; S163-A167 PolarHBondContact O-N 3.32Å
164S88.5Confident86.5Confident32 Ų3259.1 Ų59.122%0.22430%0.303CS..Hα-helixtrans-70-39177.9-56.80000112.1L160 V161 K162 K168L160-S164 WeakPolarHBondContact O-CB 3.48Å; L160-S164 PolarHBondContact O-N 2.93Å; L160-S164 PolarHBondContact O-OG 3.46Å; V161-S164 PolarHBondContact O-N 2.79Å; K162-S164 VanDerWaalsContact C-N 3.34Å; K162-S164 PolarHBondContact O-N 2.75Å; S164-K168 WeakPolarHBondContact O-CB 3.26Å; S164-K168 PolarHBondContact O-N 3.49Å
165L89.9Confident86.5Confident1 Ų160.4 Ų60.41%0.00531%0.311CS..Hα-helixtrans-75.8-39177.7-62.9-176.1000112.1V161 K162 A167 K168 K169 I182 I185 I186 I200 F204 I206V161-L165 HydrophobicContact CG1-CD1 3.59Å; V161-L165 HydrophobicContact CG1-CG 3.98Å; V161-L165 WeakPolarHBondContact O-CB 3.46Å; V161-L165 VanDerWaalsContact O-CG 3.26Å; V161-L165 WeakPolarHBondContact O-CG 3.47Å; V161-L165 PolarHBondContact O-N 3.37Å; K162-L165 PolarHBondContact O-N 2.73Å; L165-A167 VanDerWaalsContact C-N 3.34Å; L165-A167 PolarHBondContact O-N 2.88Å; L165-K168 PolarHBondContact O-N 3.13Å; L165-K169 WeakPolarHBondContact O-CB 3.28Å; L165-K169 PolarHBondContact O-N 3.44Å; L165-I182 HydrophobicContact CB-CG2 3.95Å; L165-I182 HydrophobicContact CD2-CG1 4.25Å; L165-I185 HydrophobicContact CD1-CB 4.13Å; L165-I185 HydrophobicContact CD1-CG2 3.42Å; L165-I185 VanDerWaalsContact CD1-CG2 3.42Å; L165-I186 HydrophobicContact CB-CD1 3.87Å; L165-I186 HydrophobicContact CB-CG1 3.9Å; L165-I186 HydrophobicContact CD1-CG1 4.23Å; L165-I200 HydrophobicContact CD1-CG2 4.22Å; L165-F204 HydrophobicContact CD2-CB 3.92Å; L165-F204 HydrophobicContact CD2-CD1 3.58Å; L165-F204 HydrophobicContact CD2-CD2 3.89Å; L165-F204 HydrophobicContact CD2-CE1 4.07Å; L165-F204 HydrophobicContact CD2-CE2 4.35Å; L165-F204 HydrophobicContact CD2-CG 3.49Å; L165-F204 VanDerWaalsContact CD2-CG 3.49Å; L165-F204 HydrophobicContact CD2-CZ 4.44Å; L165-I206 HydrophobicContact CD2-CD1 4.1Å; L165-I206 HydrophobicContact CG-CD1 4.35Å
166E86.9Confident86.3Confident70 Ų7064.9 Ų64.933%0.32733%0.332SS..Hα-helixtrans-58.7-45.6170.5-75178160.200110.4K46 K162 K169 S170 I186K46-E166 IonicContact NZ-OE1 2.64Å; K46-E166 PolarHBondContact NZ-OE1 3.28Å; K162-E166 WeakPolarHBondContact O-CB 3.46Å; K162-E166 WeakPolarHBondContact O-CG 3.2Å; K162-E166 PolarHBondContact O-N 2.73Å; E166-K169 PolarHBondContact O-N 3.41Å; E166-S170 PolarHBondContact O-N 3.35Å; E166-I186 HydrophobicContact CG-CD1 3.88Å
167A86.5Confident86.2Confident58 Ų5867.5 Ų67.548%0.47935%0.35SS..Hα-helixtrans-60.3-46.2173.300000112.1S163 L165 K169 S170 N171S163-A167 VanDerWaalsContact O-CB 3.24Å; S163-A167 WeakPolarHBondContact O-CB 3.44Å; S163-A167 PolarHBondContact O-N 3.32Å; L165-A167 VanDerWaalsContact C-N 3.34Å; L165-A167 PolarHBondContact O-N 2.88Å; A167-K169 PolarHBondContact O-N 2.88Å; A167-S170 PolarHBondContact O-N 2.91Å; A167-S170 PolarHBondContact O-OG 2.8Å; A167-N171 PolarHBondContact O-N 2.91Å
168K88Confident86.1Confident67 Ų6769.3 Ų69.329%0.29136%0.358SS..Hα-helixtrans-64.1-37.9178.2-157.8178.1-165.6-173.50112.3S164 L165 N171 T174 E178 I182 F204S164-K168 WeakPolarHBondContact O-CB 3.26Å; S164-K168 PolarHBondContact O-N 3.49Å; L165-K168 PolarHBondContact O-N 3.13Å; K168-N171 WeakPolarHBondContact O-CB 3.3Å; K168-N171 PolarHBondContact O-N 3.28Å; K168-T174 WeakPolarHBondContact O-CB 3.36Å; K168-T174 PolarHBondContact O-OG1 3.33Å; K168-E178 WeakPolarHBondContact CE-OE1 3.42Å; K168-E178 IonicContact NZ-OE1 2.79Å; K168-E178 PolarHBondContact NZ-OE1 2.65Å; K168-I182 HydrophobicContact CB-CD1 4.17Å; K168-I182 HydrophobicContact CD-CD1 4.3Å; K168-I182 HydrophobicContact CG-CD1 4.3Å; K168-F204 HydrophobicContact CD-CD1 3.94Å
169K86.2Confident86Confident82 Ų8270.4 Ų70.436%0.35736%0.362SS..Hα-helixtrans-63.9-38.1174.1178.7175.5173.7177.70112.6L165 E166 A167 N171 K179 I182 D183L165-K169 WeakPolarHBondContact O-CB 3.28Å; L165-K169 PolarHBondContact O-N 3.44Å; E166-K169 PolarHBondContact O-N 3.41Å; A167-K169 PolarHBondContact O-N 2.88Å; K169-N171 PolarHBondContact O-N 2.79Å; K169-K179 HydrophobicContact CG-CD 4.45Å; K169-K179 HydrophobicContact CG-CG 4.39Å; K169-I182 HydrophobicContact CB-CG2 4.05Å; K169-I182 HydrophobicContact CD-CG2 4.48Å; K169-D183 VanDerWaalsContact CD-OD1 3.28Å; K169-D183 WeakPolarHBondContact CD-OD1 3.34Å; K169-D183 WeakPolarHBondContact CE-OD1 3.29Å; K169-D183 IonicContact NZ-OD1 2.96Å; K169-D183 PolarHBondContact NZ-OD1 3.25Å; K169-D183 IonicContact NZ-OD2 2.74Å; K169-D183 PolarHBondContact NZ-OD2 3.09Å
170S84.4Confident85.8Confident96 Ų9671.5 Ų71.567%0.67137%0.368SS*.Hα-helixtrans-66.9-21.3178.779.60000113.8E166 A167 K172E166-S170 PolarHBondContact O-N 3.35Å; A167-S170 PolarHBondContact O-N 2.91Å; A167-S170 PolarHBondContact O-OG 2.8Å; S170-K172 PolarHBondContact O-N 3.38Å
171N85.6Confident85.7Confident79 Ų7973.9 Ų73.942%0.42238%0.378SS..SBendtrans-72.1119.5179.1-173.9-14.5000111.3A167 K168 K169 K173 T174A167-N171 PolarHBondContact O-N 2.91Å; K168-N171 WeakPolarHBondContact O-CB 3.3Å; K168-N171 PolarHBondContact O-N 3.28Å; K169-N171 PolarHBondContact O-N 2.79Å; N171-K173 PolarHBondContact O-N 2.69Å; N171-K173 WeakPolarHBondContact OD1-CB 3.38Å; N171-K173 PolarHBondContact OD1-N 2.74Å; N171-T174 WeakPolarHBondContact O-CB 3.48Å; N171-T174 PolarHBondContact O-N 3.44Å; N171-T174 PolarHBondContact O-OG1 3.29Å
172K82.4Confident85.5Confident209 Ų20973.9 Ų73.991%0.90938%0.378SS*.THydrogen-bonded Turntrans-58.1-17.1179.3-63.1-176.5-179.7-179.90114.7S170S170-K172 PolarHBondContact O-N 3.38Å
173K84.5Confident85.1Confident188 Ų18874.1 Ų74.182%0.81738%0.382SS*.THydrogen-bonded Turntrans-84.3-15.9177.9-63.6-177.5179.1179.20113.9N171N171-K173 PolarHBondContact O-N 2.69Å; N171-K173 WeakPolarHBondContact OD1-CB 3.38Å; N171-K173 PolarHBondContact OD1-N 2.74Å
174T83.2Confident84.7Confident12 Ų1278.1 Ų78.17%0.07439%0.392CS..SBendtrans-70.1125-178.5-54.80000109.7K168 N171 E178 K179 I182K168-T174 WeakPolarHBondContact O-CB 3.36Å; K168-T174 PolarHBondContact O-OG1 3.33Å; N171-T174 WeakPolarHBondContact O-CB 3.48Å; N171-T174 PolarHBondContact O-N 3.44Å; N171-T174 PolarHBondContact O-OG1 3.29Å; T174-E178 HydrophobicContact CG2-CB 4.06Å; T174-E178 HydrophobicContact CG2-CG 4.08Å; T174-K179 HydrophobicContact CG2-CG 4.01Å; T174-K179 WeakPolarHBondContact O-CE 3.37Å; T174-I182 HydrophobicContact CG2-CD1 4.17Å
175P87.5Confident84.3Confident65 Ų6577.4 Ų77.442%0.42239%0.386SS..  trans-72.4154-176.332.2-36.5000111.4N177 E178 K179P175-N177 VanDerWaalsContact C-N 3.31Å; P175-N177 WeakPolarHBondContact CB-OD1 3.39Å; P175-N177 PolarHBondContact O-N 3.14Å; P175-E178 WeakPolarHBondContact CD-OE2 3.44Å; P175-E178 HydrophobicContact CG-CB 3.87Å; P175-E178 PolarHBondContact O-N 3.46Å; P175-K179 PolarHBondContact O-N 3.46Å
176E83Confident83.9Confident111 Ų11178.3 Ų78.352%0.51939%0.39SS..Hα-helixtrans-67.1-30.4-166.4-156.859.8-150.600113.7K179 Q180E176-K179 PolarHBondContact O-N 3.16Å; E176-K179 IonicContact OE2-NZ 3.49Å; E176-K179 PolarHBondContact OE2-NZ 3.36Å; E176-Q180 WeakPolarHBondContact O-CG 3.28Å; E176-Q180 PolarHBondContact O-N 3.1Å
177N84.1Confident83.1Confident110 Ų11076.3 Ų76.359%0.58838%0.383SS*.Hα-helixtrans-65.4-38.6171.863.9-40.9000112.1P175 Q180 E181P175-N177 VanDerWaalsContact C-N 3.31Å; P175-N177 WeakPolarHBondContact CB-OD1 3.39Å; P175-N177 PolarHBondContact O-N 3.14Å; N177-Q180 PolarHBondContact O-N 2.84Å; N177-E181 PolarHBondContact O-N 3.22Å
178E86.3Confident82.5Confident38 Ų3875.5 Ų75.518%0.17837%0.369CS..Hα-helixtrans-70.5-34175.5-171.1178179.900111K168 T174 P175 Q180 E181 I182 F204K168-E178 WeakPolarHBondContact CE-OE1 3.42Å; K168-E178 IonicContact NZ-OE1 2.79Å; K168-E178 PolarHBondContact NZ-OE1 2.65Å; T174-E178 HydrophobicContact CG2-CB 4.06Å; T174-E178 HydrophobicContact CG2-CG 4.08Å; P175-E178 WeakPolarHBondContact CD-OE2 3.44Å; P175-E178 HydrophobicContact CG-CB 3.87Å; P175-E178 PolarHBondContact O-N 3.46Å; E178-Q180 VanDerWaalsContact C-N 3.32Å; E178-Q180 PolarHBondContact O-N 2.82Å; E178-E181 PolarHBondContact O-N 2.55Å; E178-I182 HydrophobicContact CG-CD1 4.07Å; E178-I182 HydrophobicContact CG-CG1 4.48Å; E178-I182 VanDerWaalsContact O-CB 3.31Å; E178-I182 WeakPolarHBondContact O-CB 3.47Å; E178-I182 WeakPolarHBondContact O-CD1 3.41Å; E178-I182 WeakPolarHBondContact O-CG1 3.26Å; E178-I182 PolarHBondContact O-N 3.46Å; E178-F204 HydrophobicContact CG-CE1 3.98Å
179K83.6Confident81.9Confident44 Ų4472.5 Ų72.519%0.19136%0.356CS..Hα-helixtrans-63.1-37.8170.4-63.3-174.1-159.1140.60112.5K169 T174 P175 E176 I182 D183K169-K179 HydrophobicContact CG-CD 4.45Å; K169-K179 HydrophobicContact CG-CG 4.39Å; T174-K179 HydrophobicContact CG2-CG 4.01Å; T174-K179 WeakPolarHBondContact O-CE 3.37Å; P175-K179 PolarHBondContact O-N 3.46Å; E176-K179 PolarHBondContact O-N 3.16Å; E176-K179 IonicContact OE2-NZ 3.49Å; E176-K179 PolarHBondContact OE2-NZ 3.36Å; K179-I182 PolarHBondContact O-N 3.14Å; K179-D183 WeakPolarHBondContact O-CB 3.24Å; K179-D183 PolarHBondContact O-N 3.48Å
180Q79.2Confident81.1Confident118 Ų11872.6 Ų72.655%0.55136%0.361SS*.Hα-helixtrans-71.3-32.6175.8-69.3170.415.100112.6E176 N177 E178 K184E176-Q180 WeakPolarHBondContact O-CG 3.28Å; E176-Q180 PolarHBondContact O-N 3.1Å; N177-Q180 PolarHBondContact O-N 2.84Å; E178-Q180 VanDerWaalsContact C-N 3.32Å; E178-Q180 PolarHBondContact O-N 2.82Å; Q180-K184 WeakPolarHBondContact O-CG 3.46Å; Q180-K184 PolarHBondContact O-N 3.45Å
181E86.4Confident80.6Confident57 Ų5771.7 Ų71.727%0.26635%0.348SS..Hα-helixtrans-65.5-49.5169.3-170.8-179.6158.800110.5N177 E178 D183 K184 I185 R203 F204N177-E181 PolarHBondContact O-N 3.22Å; E178-E181 PolarHBondContact O-N 2.55Å; E181-D183 PolarHBondContact O-N 3.12Å; E181-K184 PolarHBondContact O-N 3.39Å; E181-I185 HydrophobicContact CG-CD1 4.03Å; E181-I185 VanDerWaalsContact O-CG1 3.31Å; E181-I185 WeakPolarHBondContact O-CG1 3.33Å; E181-I185 PolarHBondContact O-N 2.67Å; E181-R203 VanDerWaalsContact CD-NH2 3.27Å; E181-R203 IonicContact OE1-CZ 3.41Å; E181-R203 VanDerWaalsContact OE1-CZ 3.28Å; E181-R203 IonicContact OE1-NE 3.04Å; E181-R203 PolarHBondContact OE1-NE 3.25Å; E181-R203 IonicContact OE1-NH2 3.81Å; E181-R203 PolarHBondContact OE1-NH2 3.33Å; E181-R203 IonicContact OE2-CZ 3.03Å; E181-R203 IonicContact OE2-NH2 2.64Å; E181-R203 PolarHBondContact OE2-NH2 2.73Å; E181-F204 HydrophobicContact CG-CZ 4.1Å
182I86Confident80.3Confident0 Ų069.5 Ų69.50%034%0.335CS..Hα-helixtrans-55.3-47.1175.1-75.7165.4000111.6L165 K168 K169 T174 E178 K179 K184 I185 I186 F204L165-I182 HydrophobicContact CB-CG2 3.95Å; L165-I182 HydrophobicContact CD2-CG1 4.25Å; K168-I182 HydrophobicContact CB-CD1 4.17Å; K168-I182 HydrophobicContact CD-CD1 4.3Å; K168-I182 HydrophobicContact CG-CD1 4.3Å; K169-I182 HydrophobicContact CB-CG2 4.05Å; K169-I182 HydrophobicContact CD-CG2 4.48Å; T174-I182 HydrophobicContact CG2-CD1 4.17Å; E178-I182 HydrophobicContact CG-CD1 4.07Å; E178-I182 HydrophobicContact CG-CG1 4.48Å; E178-I182 VanDerWaalsContact O-CB 3.31Å; E178-I182 WeakPolarHBondContact O-CB 3.47Å; E178-I182 WeakPolarHBondContact O-CD1 3.41Å; E178-I182 WeakPolarHBondContact O-CG1 3.26Å; E178-I182 PolarHBondContact O-N 3.46Å; K179-I182 PolarHBondContact O-N 3.14Å; I182-K184 PolarHBondContact O-N 3.11Å; I182-I185 PolarHBondContact O-N 3.18Å; I182-I185 VanDerWaalsContact O-N 3.16Å; I182-I186 HydrophobicContact CG2-CD1 3.47Å; I182-I186 VanDerWaalsContact CG2-CD1 3.47Å; I182-I186 HydrophobicContact CG2-CG1 4.16Å; I182-I186 WeakPolarHBondContact O-CG1 3.48Å; I182-I186 PolarHBondContact O-N 3.44Å; I182-F204 HydrophobicContact CD1-CE1 4.13Å; I182-F204 HydrophobicContact CG1-CD1 4.4Å; I182-F204 HydrophobicContact CG1-CE1 3.62Å; I182-F204 HydrophobicContact CG1-CZ 4.08Å
183D78.4Confident80.3Confident60 Ų6061.1 Ų61.132%0.32131%0.307SS..Hα-helixtrans-64.5-41.8-177.6-83.4-18000111.8K169 K179 E181 I185 V187K169-D183 VanDerWaalsContact CD-OD1 3.28Å; K169-D183 WeakPolarHBondContact CD-OD1 3.34Å; K169-D183 WeakPolarHBondContact CE-OD1 3.29Å; K169-D183 IonicContact NZ-OD1 2.96Å; K169-D183 PolarHBondContact NZ-OD1 3.25Å; K169-D183 IonicContact NZ-OD2 2.74Å; K169-D183 PolarHBondContact NZ-OD2 3.09Å; K179-D183 WeakPolarHBondContact O-CB 3.24Å; K179-D183 PolarHBondContact O-N 3.48Å; E181-D183 PolarHBondContact O-N 3.12Å; D183-I185 VanDerWaalsContact C-N 3.29Å; D183-I185 PolarHBondContact O-N 3.27Å; D183-V187 WeakPolarHBondContact O-CB 3.47Å; D183-V187 WeakPolarHBondContact O-CG2 3.2Å; D183-V187 PolarHBondContact O-N 2.83Å
184K77.8Confident80.4Confident144 Ų14453.6 Ų53.663%0.62628%0.28SS*.Hα-helixtrans-61.4-37.4173.1-71.2175.6-179.3-173.80112.5Q180 E181 I182 V187 Q188Q180-K184 WeakPolarHBondContact O-CG 3.46Å; Q180-K184 PolarHBondContact O-N 3.45Å; E181-K184 PolarHBondContact O-N 3.39Å; I182-K184 PolarHBondContact O-N 3.11Å; K184-V187 WeakPolarHBondContact O-CB 3.25Å; K184-Q188 WeakPolarHBondContact O-CB 3.43Å; K184-Q188 WeakPolarHBondContact O-CG 3.35Å; K184-Q188 PolarHBondContact O-N 3.02Å
185I81.3Confident80.7Confident16 Ų1659 Ų598%0.08231%0.309CS..Hα-helixtrans-71.4-50.1179.1-68.6168.6000110.8L165 E181 I182 D183 V187 Q188 L189 Y192 I200 F204L165-I185 HydrophobicContact CD1-CB 4.13Å; L165-I185 HydrophobicContact CD1-CG2 3.42Å; L165-I185 VanDerWaalsContact CD1-CG2 3.42Å; E181-I185 HydrophobicContact CG-CD1 4.03Å; E181-I185 VanDerWaalsContact O-CG1 3.31Å; E181-I185 WeakPolarHBondContact O-CG1 3.33Å; E181-I185 PolarHBondContact O-N 2.67Å; I182-I185 PolarHBondContact O-N 3.18Å; I182-I185 VanDerWaalsContact O-N 3.16Å; D183-I185 VanDerWaalsContact C-N 3.29Å; D183-I185 PolarHBondContact O-N 3.27Å; I185-V187 PolarHBondContact O-N 3.31Å; I185-Q188 PolarHBondContact O-N 3Å; I185-L189 WeakPolarHBondContact O-CG 3.25Å; I185-L189 PolarHBondContact O-N 3.24Å; I185-Y192 HydrophobicContact CG2-CE2 3.97Å; I185-I200 HydrophobicContact CG2-CD1 3.83Å; I185-I200 HydrophobicContact CG2-CG1 4.17Å; I185-I200 HydrophobicContact CG2-CG2 3.9Å; I185-F204 HydrophobicContact CD1-CE2 3.44Å; I185-F204 VanDerWaalsContact CD1-CE2 3.44Å; I185-F204 HydrophobicContact CD1-CZ 3.83Å
186I80Confident80.7Confident20 Ų2060.2 Ų60.210%0.10331%0.308CS..Hα-helixtrans-57.3-39176.6-69.5170.4000111K162 L165 E166 I182K162-I186 HydrophobicContact CG-CG2 4.45Å; L165-I186 HydrophobicContact CB-CD1 3.87Å; L165-I186 HydrophobicContact CB-CG1 3.9Å; L165-I186 HydrophobicContact CD1-CG1 4.23Å; E166-I186 HydrophobicContact CG-CD1 3.88Å; I182-I186 HydrophobicContact CG2-CD1 3.47Å; I182-I186 VanDerWaalsContact CG2-CD1 3.47Å; I182-I186 HydrophobicContact CG2-CG1 4.16Å; I182-I186 WeakPolarHBondContact O-CG1 3.48Å; I182-I186 PolarHBondContact O-N 3.44Å
187V70.6Confident81Confident29 Ų2955 Ų5518%0.17628%0.284CS..Hα-helixtrans-56-51.9171.4154.80000111.5S39 A40 A43 D183 K184 I185S39-V187 WeakPolarHBondContact CB-O 3Å; S39-V187 PolarHBondContact OG-O 2.81Å; A40-V187 HydrophobicContact CB-CG1 4.04Å; A43-V187 HydrophobicContact CB-CB 4.36Å; A43-V187 HydrophobicContact CB-CG2 3.41Å; A43-V187 VanDerWaalsContact CB-CG2 3.41Å; D183-V187 WeakPolarHBondContact O-CB 3.47Å; D183-V187 WeakPolarHBondContact O-CG2 3.2Å; D183-V187 PolarHBondContact O-N 2.83Å; K184-V187 WeakPolarHBondContact O-CB 3.25Å; I185-V187 PolarHBondContact O-N 3.31Å
188Q73.9Confident81.4Confident40 Ų4051 Ų5119%0.18726%0.262CS..Hα-helixtrans-84-7.5-172.6-72.8179.9-10.700115.2E36 K184 I185 D190 N191 Y192E36-Q188 PolarHBondContact OE1-NE2 3.01Å; K184-Q188 WeakPolarHBondContact O-CB 3.43Å; K184-Q188 WeakPolarHBondContact O-CG 3.35Å; K184-Q188 PolarHBondContact O-N 3.02Å; I185-Q188 PolarHBondContact O-N 3Å; Q188-D190 VanDerWaalsContact C-N 3.31Å; Q188-D190 PolarHBondContact O-N 3.36Å; Q188-D190 VanDerWaalsContact O-N 3.08Å; Q188-N191 WeakPolarHBondContact O-CB 3.04Å; Q188-N191 PolarHBondContact O-N 3.13Å; Q188-N191 PolarHBondContact O-ND2 3.5Å; Q188-Y192 HydrophobicContact CB-CE1 3.93Å; Q188-Y192 HydrophobicContact CB-CE2 3.77Å; Q188-Y192 VanDerWaalsContact CB-CZ 3.41Å; Q188-Y192 VanDerWaalsContact CB-OH 3.32Å; Q188-Y192 WeakPolarHBondContact CB-OH 3.32Å; Q188-Y192 PolarHBondContact OE1-OH 3.37Å
189L76.4Confident81.7Confident4 Ų455.3 Ų55.32%0.02128%0.282CS..G310 helixtrans-44.7-45.9-169.8-89173.5000115.8V161 K162 I185 N191 Y192 L197V161-L189 HydrophobicContact CB-CD2 4.05Å; V161-L189 HydrophobicContact CG1-CD2 3.72Å; K162-L189 HydrophobicContact CB-CD1 3.52Å; K162-L189 HydrophobicContact CD-CD1 4.12Å; K162-L189 HydrophobicContact CG-CD1 3.77Å; I185-L189 WeakPolarHBondContact O-CG 3.25Å; I185-L189 PolarHBondContact O-N 3.24Å; L189-N191 PolarHBondContact O-N 3.42Å; L189-N191 VanDerWaalsContact O-N 3.13Å; L189-Y192 HydrophobicContact CD2-CD2 4.22Å; L189-Y192 PolarHBondContact O-N 3.24Å; L189-L197 HydrophobicContact CD2-CD2 3.75Å
190D69.3Low82Confident85 Ų8553.8 Ų53.846%0.45528%0.276SS..G310 helixtrans-61.7-18.3-178.6-6210.1000113.5K42 Q188K42-D190 IonicContact NZ-OD2 3.61Å; K42-D190 PolarHBondContact NZ-OD2 3.48Å; Q188-D190 VanDerWaalsContact C-N 3.31Å; Q188-D190 PolarHBondContact O-N 3.36Å; Q188-D190 VanDerWaalsContact O-N 3.08Å
191N72.3Confident82.6Confident76 Ų7648.7 Ų48.741%0.40625%0.252SS..G310 helixtrans-97.7-13.4-178.3-54-74.7000113.9S39 Q188 L189S39-N191 PolarHBondContact OG-ND2 2.97Å; Q188-N191 WeakPolarHBondContact O-CB 3.04Å; Q188-N191 PolarHBondContact O-N 3.13Å; Q188-N191 PolarHBondContact O-ND2 3.5Å; L189-N191 PolarHBondContact O-N 3.42Å; L189-N191 VanDerWaalsContact O-N 3.13Å
192Y80.7Confident82.9Confident34 Ų3454.2 Ų54.213%0.13327%0.271CS..  trans-78.4128.9-169.8-70.5-43.8000112.7I185 Q188 L189 E196 L197 I200I185-Y192 HydrophobicContact CG2-CE2 3.97Å; Q188-Y192 HydrophobicContact CB-CE1 3.93Å; Q188-Y192 HydrophobicContact CB-CE2 3.77Å; Q188-Y192 VanDerWaalsContact CB-CZ 3.41Å; Q188-Y192 VanDerWaalsContact CB-OH 3.32Å; Q188-Y192 WeakPolarHBondContact CB-OH 3.32Å; Q188-Y192 PolarHBondContact OE1-OH 3.37Å; L189-Y192 HydrophobicContact CD2-CD2 4.22Å; L189-Y192 PolarHBondContact O-N 3.24Å; Y192-E196 WeakPolarHBondContact CA-OE2 3.28Å; Y192-E196 HydrophobicContact CD1-CB 3.84Å; Y192-E196 HydrophobicContact CD1-CG 4.42Å; Y192-E196 HydrophobicContact CG-CB 4.08Å; Y192-L197 HydrophobicContact CD2-CD2 3.96Å; Y192-L197 HydrophobicContact CG-CD2 4.32Å; Y192-I200 HydrophobicContact CD2-CD1 3.42Å; Y192-I200 VanDerWaalsContact CD2-CD1 3.42Å; Y192-I200 HydrophobicContact CE2-CD1 3.37Å; Y192-I200 HydrophobicContact CG-CD1 4.07Å
193G82.7Confident83.2Confident33 Ų3361.6 Ų61.634%0.3430%0.299SS..  trans-70.8173.2171.200000113.2D195 E196 L197G193-D195 VanDerWaalsContact C-N 3.3Å; G193-D195 PolarHBondContact O-N 2.86Å; G193-E196 PolarHBondContact N-OE2 3.24Å; G193-E196 PolarHBondContact O-N 3.25Å; G193-E196 VanDerWaalsContact O-N 3.08Å; G193-L197 PolarHBondContact O-N 2.81Å
194A86.8Confident83.8Confident29 Ų2959.4 Ų59.424%0.2429%0.286CS..Hα-helixtrans-54.5-42.6-179.500000113.2L144 E196 H198 P218L144-A194 HydrophobicContact CD2-CB 3.98Å; A194-E196 PolarHBondContact O-N 3.39Å; A194-H198 WeakPolarHBondContact O-CB 3.33Å; A194-H198 PolarHBondContact O-N 3.4Å; A194-P218 HydrophobicContact CB-CB 4.33Å
195D89.3Confident84.4Confident126 Ų12657.6 Ų57.667%0.67428%0.283SS*.Hα-helixtrans-68.6-31178.9-72.5-38000113.4G193 Q199G193-D195 VanDerWaalsContact C-N 3.3Å; G193-D195 PolarHBondContact O-N 2.86Å; D195-Q199 VanDerWaalsContact O-CG 3.29Å; D195-Q199 WeakPolarHBondContact O-CG 3.19Å; D195-Q199 PolarHBondContact O-N 2.81Å; D195-Q199 VanDerWaalsContact O-N 3.09Å; D195-Q199 PolarHBondContact O-NE2 2.94Å
196E87.8Confident84.9Confident90 Ų9057.3 Ų57.342%0.42128%0.282SS..Hα-helixtrans-78.7-45.6-179.6-66173.2122.100110.4Y192 G193 A194 H198 Q199 I200Y192-E196 WeakPolarHBondContact CA-OE2 3.28Å; Y192-E196 HydrophobicContact CD1-CB 3.84Å; Y192-E196 HydrophobicContact CD1-CG 4.42Å; Y192-E196 HydrophobicContact CG-CB 4.08Å; G193-E196 PolarHBondContact N-OE2 3.24Å; G193-E196 PolarHBondContact O-N 3.25Å; G193-E196 VanDerWaalsContact O-N 3.08Å; A194-E196 PolarHBondContact O-N 3.39Å; E196-H198 PolarHBondContact O-N 2.94Å; E196-Q199 WeakPolarHBondContact O-CB 3.15Å; E196-Q199 PolarHBondContact O-N 3.07Å; E196-Q199 VanDerWaalsContact O-N 3.16Å; E196-I200 WeakPolarHBondContact O-CD1 3.4Å; E196-I200 WeakPolarHBondContact O-CG1 3.5Å; E196-I200 PolarHBondContact O-N 3Å
197L88.1Confident85.5Confident2 Ų258.5 Ų58.51%0.0129%0.286CS..Hα-helixtrans-59.1-36.5170-68.4-173.1000111.7L144 A157 L189 Y192 G193 I200 I201 P218L144-L197 HydrophobicContact CB-CD1 4.25Å; L144-L197 HydrophobicContact CD1-CD1 3.65Å; L144-L197 HydrophobicContact CD1-CG 4.48Å; A157-L197 HydrophobicContact CB-CD1 3.8Å; L189-L197 HydrophobicContact CD2-CD2 3.75Å; Y192-L197 HydrophobicContact CD2-CD2 3.96Å; Y192-L197 HydrophobicContact CG-CD2 4.32Å; G193-L197 PolarHBondContact O-N 2.81Å; L197-I200 HydrophobicContact CD2-CD1 4.28Å; L197-I200 PolarHBondContact O-N 3.35Å; L197-I201 WeakPolarHBondContact O-CB 3.45Å; L197-I201 VanDerWaalsContact O-CG1 3.25Å; L197-I201 WeakPolarHBondContact O-CG1 3.34Å; L197-I201 PolarHBondContact O-N 3.45Å; L197-P218 HydrophobicContact CB-CG 3.99Å
198H92.4Very high86.3Confident27 Ų2757.1 Ų57.113%0.12528%0.278CS..Hα-helixtrans-63.8-43.4174.6-169.239.3000112.7A194 E196 I200 I201 R202 E217 P218A194-H198 WeakPolarHBondContact O-CB 3.33Å; A194-H198 PolarHBondContact O-N 3.4Å; E196-H198 PolarHBondContact O-N 2.94Å; H198-I200 VanDerWaalsContact C-N 3.33Å; H198-I200 PolarHBondContact O-N 2.86Å; H198-I201 PolarHBondContact O-N 3.43Å; H198-R202 PolarHBondContact CE1-NE 3.46Å; H198-R202 PolarHBondContact NE2-NE 2.91Å; H198-R202 VanDerWaalsContact NE2-NE 3.19Å; H198-R202 PolarHBondContact NE2-NH2 2.96Å; H198-R202 WeakPolarHBondContact O-CG 2.93Å; H198-R202 PolarHBondContact O-N 3.3Å; H198-E217 IonicContact CD2-OE1 2.91Å; H198-E217 WeakPolarHBondContact CE1-CG 3.31Å; H198-E217 IonicContact CE1-OE1 3.66Å; H198-E217 WeakPolarHBondContact NE2-CG 3.49Å; H198-E217 IonicContact NE2-OE1 3.79Å; H198-E217 PolarHBondContact NE2-OE1 2.89Å; H198-P218 HydrophobicContact CB-CG 4.24Å
199Q92.3Very high86.7Confident127 Ų12758.8 Ų58.859%0.59329%0.292SS*.Hα-helixtrans-60.8-42.6174.5-75.8168.676.600111.3D195 E196 R202 R203D195-Q199 VanDerWaalsContact O-CG 3.29Å; D195-Q199 WeakPolarHBondContact O-CG 3.19Å; D195-Q199 PolarHBondContact O-N 2.81Å; D195-Q199 VanDerWaalsContact O-N 3.09Å; D195-Q199 PolarHBondContact O-NE2 2.94Å; E196-Q199 WeakPolarHBondContact O-CB 3.15Å; E196-Q199 PolarHBondContact O-N 3.07Å; E196-Q199 VanDerWaalsContact O-N 3.16Å; Q199-R202 PolarHBondContact O-N 2.87Å; Q199-R203 WeakPolarHBondContact O-CB 3.26Å; Q199-R203 PolarHBondContact O-N 3.39Å
200I90.9Very high87Confident13 Ų1363.8 Ų63.87%0.06732%0.323CS..Hα-helixtrans-64.8-45177.4-65155.9000111.3V161 L165 I185 Y192 E196 L197 H198 R202 R203 F204 I206V161-I200 HydrophobicContact CG1-CG2 3.55Å; L165-I200 HydrophobicContact CD1-CG2 4.22Å; I185-I200 HydrophobicContact CG2-CD1 3.83Å; I185-I200 HydrophobicContact CG2-CG1 4.17Å; I185-I200 HydrophobicContact CG2-CG2 3.9Å; Y192-I200 HydrophobicContact CD2-CD1 3.42Å; Y192-I200 VanDerWaalsContact CD2-CD1 3.42Å; Y192-I200 HydrophobicContact CE2-CD1 3.37Å; Y192-I200 HydrophobicContact CG-CD1 4.07Å; E196-I200 WeakPolarHBondContact O-CD1 3.4Å; E196-I200 WeakPolarHBondContact O-CG1 3.5Å; E196-I200 PolarHBondContact O-N 3Å; L197-I200 HydrophobicContact CD2-CD1 4.28Å; L197-I200 PolarHBondContact O-N 3.35Å; H198-I200 VanDerWaalsContact C-N 3.33Å; H198-I200 PolarHBondContact O-N 2.86Å; I200-R202 VanDerWaalsContact C-N 3.32Å; I200-R202 PolarHBondContact O-N 3.34Å; I200-R203 PolarHBondContact O-N 2.88Å; I200-F204 HydrophobicContact CG2-CD2 4.02Å; I200-F204 HydrophobicContact CG2-CE2 4.47Å; I200-F204 WeakPolarHBondContact O-CD2 3.43Å; I200-F204 PolarHBondContact O-N 2.66Å; I200-I206 HydrophobicContact CG2-CD1 4.44Å
201I92.1Very high87.8Confident10 Ų1062 Ų625%0.05132%0.315CS..Hα-helixtrans-57.4-45.6176.8-73.1165.3000110.9V146 V161 L197 H198 D205 I206 L215 P218V146-I201 HydrophobicContact CG1-CD1 3.87Å; V161-I201 HydrophobicContact CG2-CD1 4.11Å; V161-I201 HydrophobicContact CG2-CG1 3.62Å; L197-I201 WeakPolarHBondContact O-CB 3.45Å; L197-I201 VanDerWaalsContact O-CG1 3.25Å; L197-I201 WeakPolarHBondContact O-CG1 3.34Å; L197-I201 PolarHBondContact O-N 3.45Å; H198-I201 PolarHBondContact O-N 3.43Å; I201-D205 PolarHBondContact O-N 3.42Å; I201-I206 HydrophobicContact CB-CB 4.47Å; I201-I206 HydrophobicContact CG1-CB 4.38Å; I201-I206 HydrophobicContact CG2-CB 4.28Å; I201-I206 PolarHBondContact O-N 2.86Å; I201-L215 HydrophobicContact CG2-CD1 4.3Å; I201-P218 HydrophobicContact CD1-CG 4.03Å
202R92.3Very high88.5Confident174 Ų17464.9 Ų64.966%0.65733%0.328SS*.Hα-helixtrans-68.3-40.2175.1-68.8-176.2-178.2-157.81113.1H198 Q199 I200 F204 E217H198-R202 PolarHBondContact CE1-NE 3.46Å; H198-R202 PolarHBondContact NE2-NE 2.91Å; H198-R202 VanDerWaalsContact NE2-NE 3.19Å; H198-R202 PolarHBondContact NE2-NH2 2.96Å; H198-R202 WeakPolarHBondContact O-CG 2.93Å; H198-R202 PolarHBondContact O-N 3.3Å; Q199-R202 PolarHBondContact O-N 2.87Å; I200-R202 VanDerWaalsContact C-N 3.32Å; I200-R202 PolarHBondContact O-N 3.34Å; R202-F204 VanDerWaalsContact C-N 3.33Å; R202-F204 PolarHBondContact O-N 2.7Å; R202-E217 IonicContact NH2-OE1 3.28Å
203R91.2Very high88.9Confident155 Ų15564 Ų6459%0.58533%0.326SS*.Hα-helixtrans-62.4-37.6-177.7170.564.3179.6142.13.5112.4E181 Q199 I200E181-R203 VanDerWaalsContact CD-NH2 3.27Å; E181-R203 IonicContact OE1-CZ 3.41Å; E181-R203 VanDerWaalsContact OE1-CZ 3.28Å; E181-R203 IonicContact OE1-NE 3.04Å; E181-R203 PolarHBondContact OE1-NE 3.25Å; E181-R203 IonicContact OE1-NH2 3.81Å; E181-R203 PolarHBondContact OE1-NH2 3.33Å; E181-R203 IonicContact OE2-CZ 3.03Å; E181-R203 IonicContact OE2-NH2 2.64Å; E181-R203 PolarHBondContact OE2-NH2 2.73Å; Q199-R203 WeakPolarHBondContact O-CB 3.26Å; Q199-R203 PolarHBondContact O-N 3.39Å; I200-R203 PolarHBondContact O-N 2.88Å
204F91.1Very high89.4Confident14 Ų1466.7 Ų66.76%0.06133%0.332CS..Hα-helixtrans-103.10-175.7-73.1-87.7000114.6L165 K168 E178 E181 I182 I185 I200 R202 I206L165-F204 HydrophobicContact CD2-CB 3.92Å; L165-F204 HydrophobicContact CD2-CD1 3.58Å; L165-F204 HydrophobicContact CD2-CD2 3.89Å; L165-F204 HydrophobicContact CD2-CE1 4.07Å; L165-F204 HydrophobicContact CD2-CE2 4.35Å; L165-F204 HydrophobicContact CD2-CG 3.49Å; L165-F204 VanDerWaalsContact CD2-CG 3.49Å; L165-F204 HydrophobicContact CD2-CZ 4.44Å; K168-F204 HydrophobicContact CD-CD1 3.94Å; E178-F204 HydrophobicContact CG-CE1 3.98Å; E181-F204 HydrophobicContact CG-CZ 4.1Å; I182-F204 HydrophobicContact CD1-CE1 4.13Å; I182-F204 HydrophobicContact CG1-CD1 4.4Å; I182-F204 HydrophobicContact CG1-CE1 3.62Å; I182-F204 HydrophobicContact CG1-CZ 4.08Å; I185-F204 HydrophobicContact CD1-CE2 3.44Å; I185-F204 VanDerWaalsContact CD1-CE2 3.44Å; I185-F204 HydrophobicContact CD1-CZ 3.83Å; I200-F204 HydrophobicContact CG2-CD2 4.02Å; I200-F204 HydrophobicContact CG2-CE2 4.47Å; I200-F204 WeakPolarHBondContact O-CD2 3.43Å; I200-F204 PolarHBondContact O-N 2.66Å; R202-F204 VanDerWaalsContact C-N 3.33Å; R202-F204 PolarHBondContact O-N 2.7Å; F204-I206 HydrophobicContact CB-CD1 4.02Å; F204-I206 HydrophobicContact CB-CG1 3.8Å
205D91.2Very high89.7Confident105 Ų10566.4 Ų66.456%0.56133%0.327SS*.THydrogen-bonded Turntrans50.653.6-170.1-165.433.1000112.7I201 K207I201-D205 PolarHBondContact O-N 3.42Å; D205-K207 PolarHBondContact O-N 2.9Å; D205-K207 IonicContact OD1-NZ 3.38Å; D205-K207 PolarHBondContact OD1-NZ 3.37Å; D205-K207 WeakPolarHBondContact OD2-CE 3.3Å; D205-K207 IonicContact OD2-NZ 2.76Å; D205-K207 PolarHBondContact OD2-NZ 3.23Å
206I91.9Very high89.8Confident11 Ų1162.8 Ų62.86%0.05631%0.309CS..  trans-76.3124.9-178.3-63176.4000109.1L160 V161 L165 I200 I201 F204 L215L160-I206 HydrophobicContact CG-CG2 4.29Å; V161-I206 HydrophobicContact CB-CD1 4.24Å; V161-I206 HydrophobicContact CG1-CD1 3.93Å; V161-I206 HydrophobicContact CG2-CD1 3.98Å; L165-I206 HydrophobicContact CD2-CD1 4.1Å; L165-I206 HydrophobicContact CG-CD1 4.35Å; I200-I206 HydrophobicContact CG2-CD1 4.44Å; I201-I206 HydrophobicContact CB-CB 4.47Å; I201-I206 HydrophobicContact CG1-CB 4.38Å; I201-I206 HydrophobicContact CG2-CB 4.28Å; I201-I206 PolarHBondContact O-N 2.86Å; F204-I206 HydrophobicContact CB-CD1 4.02Å; F204-I206 HydrophobicContact CB-CG1 3.8Å; I206-L215 HydrophobicContact CG2-CD1 4.09Å; I206-L215 WeakPolarHBondContact O-CD1 3.24Å
207K91.4Very high90Very high45 Ų4563 Ų6320%0.19631%0.31CS..  trans-120165.4-175.7-60.1-156.9-168.4-62.10111.5D205 M212 N213 D214D205-K207 PolarHBondContact O-N 2.9Å; D205-K207 IonicContact OD1-NZ 3.38Å; D205-K207 PolarHBondContact OD1-NZ 3.37Å; D205-K207 WeakPolarHBondContact OD2-CE 3.3Å; D205-K207 IonicContact OD2-NZ 2.76Å; D205-K207 PolarHBondContact OD2-NZ 3.23Å; K207-M212 HydrophobicContact CB-CE 4.45Å; K207-M212 WeakPolarHBondContact CD-O 3.34Å; K207-N213 WeakPolarHBondContact CA-O 3.47Å; K207-N213 VanDerWaalsContact CB-O 3.31Å; K207-N213 WeakPolarHBondContact CB-O 3.34Å; K207-D214 IonicContact NZ-OD1 2.68Å; K207-D214 PolarHBondContact NZ-OD1 3.13Å
208S88.1Confident90.2Very high0 Ų063.4 Ų63.40%031%0.312CS..  trans-57.6124173.9174.70000110.5D148 T210 T211 M212 N213D148-S208 WeakPolarHBondContact OD2-CB 3.4Å; D148-S208 PolarHBondContact OD2-OG 2.87Å; S208-T210 PolarHBondContact O-N 3.34Å; S208-T211 WeakPolarHBondContact CB-OG1 3.32Å; S208-T211 PolarHBondContact O-N 3Å; S208-T211 PolarHBondContact OG-OG1 3.05Å; S208-T211 VanDerWaalsContact OG-OG1 3.07Å; S208-M212 WeakPolarHBondContact O-CA 3.31Å; S208-M212 PolarHBondContact O-N 3.44Å; S208-N213 PolarHBondContact N-O 2.99Å
209P83.2Confident90.1Very high74 Ų7468.2 Ų68.248%0.48133%0.333SS..THydrogen-bonded Turntrans-72-16.5-168.329.3-36.4000113.7F155 L160F155-P209 HydrophobicContact CD1-CG 4.34Å; F155-P209 HydrophobicContact CE1-CG 3.75Å; F155-P209 HydrophobicContact CZ-CG 4.05Å; L160-P209 HydrophobicContact CD1-CG 3.99Å
210T81.7Confident89.8Confident109 Ų10969.3 Ų69.367%0.66934%0.338SS*.THydrogen-bonded Turntrans-92-27.3-179.7-44.20000112.4S208S208-T210 PolarHBondContact O-N 3.34Å
211T85.6Confident89.6Confident48 Ų4871.3 Ų71.329%0.29435%0.347SS..THydrogen-bonded Turntrans-127.8-15.7-164.664.40000114.2D148 T151 S208 N213D148-T211 WeakPolarHBondContact OD2-CB 3.3Å; D148-T211 WeakPolarHBondContact OD2-CG2 3.16Å; D148-T211 PolarHBondContact OD2-OG1 3.46Å; T151-T211 HydrophobicContact CG2-CG2 3.92Å; S208-T211 WeakPolarHBondContact CB-OG1 3.32Å; S208-T211 PolarHBondContact O-N 3Å; S208-T211 PolarHBondContact OG-OG1 3.05Å; S208-T211 VanDerWaalsContact OG-OG1 3.07Å; T211-N213 VanDerWaalsContact CB-ND2 3.32Å; T211-N213 WeakPolarHBondContact CB-ND2 3.4Å; T211-N213 PolarHBondContact O-N 2.92Å; T211-N213 WeakPolarHBondContact OG1-CB 3.4Å; T211-N213 VanDerWaalsContact OG1-CG 3.23Å; T211-N213 PolarHBondContact OG1-N 2.94Å; T211-N213 VanDerWaalsContact OG1-N 3.07Å; T211-N213 PolarHBondContact OG1-ND2 3.02Å; T211-N213 VanDerWaalsContact OG1-ND2 3.09Å
212M87.5Confident89.4Confident136 Ų13672.8 Ų72.867%0.6736%0.355SS*.  trans5527.5-166.5-56.9-60.5-66.500114.1K207 S208K207-M212 HydrophobicContact CB-CE 4.45Å; K207-M212 WeakPolarHBondContact CD-O 3.34Å; S208-M212 WeakPolarHBondContact O-CA 3.31Å; S208-M212 PolarHBondContact O-N 3.44Å
213N89.8Confident89.4Confident16 Ų1665.4 Ų65.49%0.08633%0.328CS..  trans-80.9156.4171.1-63.5-33.8000112.4D148 K150 K207 S208 T211D148-N213 WeakPolarHBondContact OD1-CB 3.39Å; D148-N213 PolarHBondContact OD1-ND2 3.41Å; D148-N213 WeakPolarHBondContact OD2-CB 3.41Å; D148-N213 PolarHBondContact OD2-ND2 3.2Å; K150-N213 VanDerWaalsContact CD-OD1 3.29Å; K150-N213 WeakPolarHBondContact CD-OD1 3.2Å; K150-N213 WeakPolarHBondContact CE-OD1 3.46Å; K150-N213 HydrophobicContact CG-CB 4.46Å; K150-N213 PolarHBondContact NZ-OD1 2.67Å; K207-N213 WeakPolarHBondContact CA-O 3.47Å; K207-N213 VanDerWaalsContact CB-O 3.31Å; K207-N213 WeakPolarHBondContact CB-O 3.34Å; S208-N213 PolarHBondContact N-O 2.99Å; T211-N213 VanDerWaalsContact CB-ND2 3.32Å; T211-N213 WeakPolarHBondContact CB-ND2 3.4Å; T211-N213 PolarHBondContact O-N 2.92Å; T211-N213 WeakPolarHBondContact OG1-CB 3.4Å; T211-N213 VanDerWaalsContact OG1-CG 3.23Å; T211-N213 PolarHBondContact OG1-N 2.94Å; T211-N213 VanDerWaalsContact OG1-N 3.07Å; T211-N213 PolarHBondContact OG1-ND2 3.02Å; T211-N213 VanDerWaalsContact OG1-ND2 3.09Å
214D92.8Very high89.6Confident90 Ų9058.2 Ų58.248%0.48130%0.301SS..  trans-65.6156.9171.3-50.1-49000111.9V149 K207V149-D214 WeakPolarHBondContact CB-O 3.31Å; V149-D214 VanDerWaalsContact CG2-O 3.31Å; V149-D214 WeakPolarHBondContact CG2-O 3.21Å; V149-D214 PolarHBondContact N-O 3Å; K207-D214 IonicContact NZ-OD1 2.68Å; K207-D214 PolarHBondContact NZ-OD1 3.13Å
215L92.6Very high89.8Confident23 Ų2360.4 Ų60.412%0.1231%0.311CS..BIsolated β-bridgetrans-109.3153.1-174.5-63.4169000112.1V146 K147 F155 L160 I201 I206V146-L215 HydrophobicContact CG2-CD1 4.38Å; V146-L215 HydrophobicContact CG2-CD2 4.41Å; K147-L215 CarbonylContact O-C 3.55Å; K147-L215 VanDerWaalsContact O-CA 3.3Å; K147-L215 WeakPolarHBondContact O-CA 3.29Å; F155-L215 HydrophobicContact CD2-CD2 4.39Å; L160-L215 HydrophobicContact CD2-CD1 3.54Å; L160-L215 HydrophobicContact CD2-CD2 4.16Å; I201-L215 HydrophobicContact CG2-CD1 4.3Å; I206-L215 HydrophobicContact CG2-CD1 4.09Å; I206-L215 WeakPolarHBondContact O-CD1 3.24Å
216T92.8Very high89.9Confident49 Ų4959.4 Ų59.430%0.30131%0.312SS..PPolyproline II helixtrans-70.1163168.2670000111.9V146 K147 V149V146-T216 WeakPolarHBondContact CG1-O 3.36Å; K147-T216 HydrophobicContact CB-CG2 4Å; K147-T216 PolarHBondContact N-OG1 3.19Å; K147-T216 PolarHBondContact O-N 2.88Å; V149-T216 HydrophobicContact CG2-CG2 4.1Å
217E92.3Very high90.1Very high96 Ų9661 Ų6145%0.44932%0.322SS..PPolyproline II helixtrans-48.1137.9159.5-83.2152.3-170.600111.7H198 R202H198-E217 IonicContact CD2-OE1 2.91Å; H198-E217 WeakPolarHBondContact CE1-CG 3.31Å; H198-E217 IonicContact CE1-OE1 3.66Å; H198-E217 WeakPolarHBondContact NE2-CG 3.49Å; H198-E217 IonicContact NE2-OE1 3.79Å; H198-E217 PolarHBondContact NE2-OE1 2.89Å; R202-E217 IonicContact NH2-OE1 3.28Å
218P92.2Very high90.2Very high9 Ų963.5 Ų63.56%0.05834%0.336CS..PPolyproline II helixtrans-60.1138.2169-2032.3000110.7M145 V146 A157 A194 L197 H198 I201M145-P218 CarbonylContact O-C 3.45Å; M145-P218 WeakPolarHBondContact O-CA 3.44Å; V146-P218 HydrophobicContact CG1-CB 3.94Å; V146-P218 HydrophobicContact CG1-CG 3.7Å; A157-P218 HydrophobicContact CB-CB 4.28Å; A194-P218 HydrophobicContact CB-CB 4.33Å; L197-P218 HydrophobicContact CB-CG 3.99Å; H198-P218 HydrophobicContact CB-CG 4.24Å; I201-P218 HydrophobicContact CD1-CG 4.03Å
219K89.5Confident90.5Very high128 Ų12866.1 Ų66.156%0.55735%0.349SS*.EExtended strand (participates in β ladder)trans-138.2144177.1-62-173.3-177.9-172.80110.3M145 F221M145-K219 PolarHBondContact N-O 2.65Å; M145-K219 PolarHBondContact O-N 2.76Å; K219-F221 PolarHBondContact O-N 2.81Å
220E86.5Confident90.9Very high150 Ų15064.8 Ų64.870%0.70135%0.349SS*.EExtended strand (participates in β ladder)trans-58.1135.4170.1-68.4170.1-162.900110.6D143 L144D143-E220 CarbonylContact O-C 3.5Å; D143-E220 WeakPolarHBondContact O-CA 3.49Å; L144-E220 HydrophobicContact CD2-CG 3.88Å
221F86.7Confident91.3Very high56 Ų5666.5 Ų66.525%0.24636%0.362CS..EExtended strand (participates in β ladder)trans-135.6116.2-179.6-177.7-100.3000108.7T142 D143 M145 K219 L223 N275 I277T142-F221 WeakPolarHBondContact CA-O 3.24Å; D143-F221 PolarHBondContact N-O 3.2Å; D143-F221 PolarHBondContact O-N 2.99Å; M145-F221 HydrophobicContact CB-CB 3.91Å; M145-F221 HydrophobicContact CB-CG 4.49Å; M145-F221 HydrophobicContact CE-CB 4.06Å; M145-F221 HydrophobicContact CE-CD2 3.47Å; M145-F221 VanDerWaalsContact CE-CD2 3.47Å; M145-F221 HydrophobicContact CE-CE2 4.16Å; M145-F221 HydrophobicContact CE-CG 3.95Å; M145-F221 HydrophobicContact SD-CB 4.45Å; M145-F221 HydrophobicContact SD-CD2 3.94Å; M145-F221 HydrophobicContact SD-CE2 4.34Å; M145-F221 HydrophobicContact SD-CG 4.09Å; K219-F221 PolarHBondContact O-N 2.81Å; F221-L223 HydrophobicContact CD1-CD2 4.31Å; F221-L223 PolarHBondContact O-N 2.91Å; F221-N275 WeakPolarHBondContact CE1-O 3.5Å; F221-N275 WeakPolarHBondContact CZ-ND2 3.28Å; F221-I277 HydrophobicContact CB-CD1 4.38Å; F221-I277 HydrophobicContact CD1-CD1 3.97Å; F221-I277 HydrophobicContact CD1-CG1 3.51Å; F221-I277 HydrophobicContact CE1-CG1 3.9Å; F221-I277 HydrophobicContact CG-CG1 4.33Å
222N87.6Confident91.4Very high41 Ų4168.7 Ų68.722%0.21938%0.376CS..EExtended strand (participates in β ladder)trans-72.2127.8-179.1-167.7-68000110.2V138 T142 M224V138-N222 PolarHBondContact O-ND2 3.28Å; T142-N222 HydrophobicContact CG2-CB 4.2Å; N222-M224 PolarHBondContact O-N 2.89Å; N222-M224 VanDerWaalsContact OD1-CB 3.27Å; N222-M224 WeakPolarHBondContact OD1-CB 3.26Å; N222-M224 PolarHBondContact OD1-N 2.88Å
223L91.6Very high91.3Very high18 Ų1864 Ų649%0.09436%0.362CS..SBendtrans-83.38.6-176.8-63.5175000113F141 D143 F221 R274 N275 I277F141-L223 HydrophobicContact CD1-CB 3.52Å; F141-L223 HydrophobicContact CE1-CB 3.69Å; F141-L223 HydrophobicContact CG-CB 4.37Å; F141-L223 PolarHBondContact O-N 2.88Å; D143-L223 HydrophobicContact CB-CD1 4.32Å; D143-L223 HydrophobicContact CB-CD2 4.14Å; D143-L223 HydrophobicContact CB-CG 4.33Å; F221-L223 HydrophobicContact CD1-CD2 4.31Å; F221-L223 PolarHBondContact O-N 2.91Å; L223-R274 CarbonylContact O-C 3.09Å; L223-R274 WeakPolarHBondContact O-CA 3.29Å; L223-N275 WeakPolarHBondContact CD2-O 3.49Å; L223-N275 PolarHBondContact O-N 3.27Å; L223-I277 HydrophobicContact CD2-CD1 4.47Å; L223-I277 HydrophobicContact CD2-CG1 4.33Å
224M94.9Very high91.1Very high4 Ų471 Ų712%0.0240%0.395CS..SBendtrans-98.5144.4170.5-56.6-173-73.500111.1L132 H137 V138 F141 N222 S226 Y238 P241L132-M224 HydrophobicContact CB-CE 4.45Å; L132-M224 HydrophobicContact CB-SD 4.33Å; L132-M224 HydrophobicContact CD1-SD 3.87Å; L132-M224 HydrophobicContact CD2-SD 4.14Å; L132-M224 HydrophobicContact CG-SD 4.33Å; H137-M224 HydrophobicContact CB-CE 4.19Å; H137-M224 HydrophobicContact CB-SD 3.89Å; V138-M224 HydrophobicContact CB-CE 4.45Å; V138-M224 HydrophobicContact CG2-CE 3.93Å; F141-M224 HydrophobicContact CD1-CG 3.7Å; F141-M224 HydrophobicContact CE1-CG 4.38Å; N222-M224 PolarHBondContact O-N 2.89Å; N222-M224 VanDerWaalsContact OD1-CB 3.27Å; N222-M224 WeakPolarHBondContact OD1-CB 3.26Å; N222-M224 PolarHBondContact OD1-N 2.88Å; M224-S226 PolarHBondContact O-N 2.92Å; M224-Y238 HydrophobicContact CB-CD1 3.53Å; M224-Y238 HydrophobicContact CB-CE1 4.22Å; M224-Y238 HydrophobicContact CB-CG 4.1Å; M224-Y238 HydrophobicContact CE-CD1 4.12Å; M224-Y238 HydrophobicContact CE-CD2 4.33Å; M224-Y238 HydrophobicContact CE-CE1 4.08Å; M224-Y238 HydrophobicContact CE-CE2 4.29Å; M224-Y238 HydrophobicContact CE-CG 4.26Å; M224-Y238 HydrophobicContact SD-CG 4.38Å; M224-P241 HydrophobicContact CG-CB 4.28Å; M224-P241 HydrophobicContact CG-CG 4.27Å; M224-P241 HydrophobicContact SD-CG 3.95Å
225F95.4Very high91Very high61 Ų6169.2 Ų69.227%0.26839%0.388SS..  trans-80102.5172.4-72-86.7000110.1Y238 L239 F273 N275 R287F225-Y238 CarbonylContact O-C 3.55Å; F225-Y238 WeakPolarHBondContact O-CA 3.49Å; F225-L239 HydrophobicContact CB-CB 4.21Å; F225-L239 HydrophobicContact CB-CD1 4.04Å; F225-L239 HydrophobicContact CB-CG 4.27Å; F225-L239 PolarHBondContact O-N 3.08Å; F225-F273 HydrophobicContact CD2-CB 3.86Å; F225-F273 HydrophobicContact CE2-CB 4.33Å; F225-N275 HydrophobicContact CD1-CB 4.22Å; F225-N275 HydrophobicContact CD2-CB 3.92Å; F225-N275 HydrophobicContact CE1-CB 3.99Å; F225-N275 WeakPolarHBondContact CE1-OD1 3.33Å; F225-N275 VanDerWaalsContact CE2-CA 3.5Å; F225-N275 HydrophobicContact CE2-CB 3.71Å; F225-N275 HydrophobicContact CG-CB 4.19Å; F225-N275 HydrophobicContact CZ-CB 3.74Å; F225-N275 WeakPolarHBondContact CZ-OD1 3.38Å; F225-R287 HydrophobicContact CE2-CB 4.32Å; F225-R287 HydrophobicContact CZ-CB 4.14Å; F225-R287 HydrophobicContact CZ-CG 4.41Å
226S94.5Very high91Very high83 Ų8371.9 Ų71.958%0.5840%0.399SS*.EExtended strand (participates in β ladder)trans-71.3144.7176.360.10000112.6M224 G237 Y238M224-S226 PolarHBondContact O-N 2.92Å; S226-G237 WeakPolarHBondContact CA-O 3.48Å; S226-Y238 VanDerWaalsContact CA-CD1 3.49Å
227T95.1Very high91.1Very high45 Ų4569.5 Ų69.528%0.27638%0.384SS..EExtended strand (participates in β ladder)trans-149.5170176.2-170.20000111.3L126 G237L126-T227 HydrophobicContact CD2-CG2 3.63Å; T227-G237 PolarHBondContact N-O 2.95Å; T227-G237 PolarHBondContact O-N 3.45Å
228M94.6Very high91.4Very high98 Ų9865.5 Ų65.548%0.48337%0.365SS..EExtended strand (participates in β ladder)trans-112.1125.1176.9-54.9-50.7-61.700109.6G233 K236M228-G233 WeakPolarHBondContact CE-O 3.22Å; M228-K236 HydrophobicContact CE-CB 4.03Å; M228-K236 HydrophobicContact SD-CB 4.27Å; M228-K236 HydrophobicContact SD-CG 4.28Å
229I93.1Very high91.6Very high54 Ų5467.3 Ų67.328%0.27737%0.374SS..EExtended strand (participates in β ladder)trans-94.2118.3-178.9-58.5175.1000108.3P128 C235P128-I229 HydrophobicContact CG-CD1 4.47Å; I229-C235 HydrophobicContact CB-CB 4.03Å; I229-C235 PolarHBondContact N-O 3.24Å; I229-C235 WeakPolarHBondContact O-CB 3.39Å
230G91.7Very high92Very high47 Ų4761.7 Ų61.749%0.48535%0.349SS..SBendtrans82157.1-179.300000114.6T232 G233G230-T232 VanDerWaalsContact C-N 3.26Å; G230-T232 PolarHBondContact O-N 3.06Å; G230-G233 PolarHBondContact O-N 2.9Å
231P90.3Very high92.5Very high144 Ų14454.6 Ų54.694%0.93532%0.316SS*.THydrogen-bonded Turntrans-71.8-13.2-168.229.3-36.9000114.6G233P231-G233 VanDerWaalsContact C-N 3.33Å
232T88.3Confident92.9Very high95 Ų9552.3 Ų52.358%0.58331%0.306SS*.THydrogen-bonded Turntrans-79.4-14.3179.562.40000113.5G230 Q234G230-T232 VanDerWaalsContact C-N 3.26Å; G230-T232 PolarHBondContact O-N 3.06Å; T232-Q234 PolarHBondContact O-N 3.16Å; T232-Q234 WeakPolarHBondContact OG1-CB 3.4Å; T232-Q234 PolarHBondContact OG1-N 3.26Å; T232-Q234 PolarHBondContact OG1-OE1 2.97Å
233G84.7Confident93.4Very high38 Ų3850.3 Ų50.339%0.39230%0.296SS..SBendtrans6419.1-173.700000114.2M228 G230 P231M228-G233 WeakPolarHBondContact CE-O 3.22Å; G230-G233 PolarHBondContact O-N 2.9Å; P231-G233 VanDerWaalsContact C-N 3.33Å
234Q85.5Confident93.6Very high163 Ų16349.5 Ų49.576%0.76229%0.291SS*.  trans-88.8-32.8-178.4-69.9169-38.400113.1T232T232-Q234 PolarHBondContact O-N 3.16Å; T232-Q234 WeakPolarHBondContact OG1-CB 3.4Å; T232-Q234 PolarHBondContact OG1-N 3.26Å; T232-Q234 PolarHBondContact OG1-OE1 2.97Å
235C90.5Very high93.7Very high52 Ų5249.7 Ų49.735%0.35129%0.292SS..EExtended strand (participates in β ladder)trans-92.6105.3175.1-172.30000109.4I229I229-C235 HydrophobicContact CB-CB 4.03Å; I229-C235 PolarHBondContact N-O 3.24Å; I229-C235 WeakPolarHBondContact O-CB 3.39Å
236K93.8Very high93.7Very high78 Ų7847.4 Ų47.434%0.33929%0.286SS..EExtended strand (participates in β ladder)trans-80.6138.8169.1-179.2162.8160.2-116.90109.6E129 M228 Y238E129-K236 HydrophobicContact CB-CB 4.49Å; E129-K236 HydrophobicContact CB-CG 4.48Å; E129-K236 WeakPolarHBondContact CB-O 3.31Å; E129-K236 PolarHBondContact N-O 3.21Å; E129-K236 IonicContact OE1-NZ 3.99Å; E129-K236 PolarHBondContact OE1-NZ 2.94Å; E129-K236 VanDerWaalsContact OE2-CD 3.24Å; E129-K236 WeakPolarHBondContact OE2-CD 3.38Å; E129-K236 WeakPolarHBondContact OE2-CE 3.46Å; E129-K236 WeakPolarHBondContact OE2-CG 3.15Å; E129-K236 IonicContact OE2-NZ 2.67Å; E129-K236 PolarHBondContact OE2-NZ 3.49Å; M228-K236 HydrophobicContact CE-CB 4.03Å; M228-K236 HydrophobicContact SD-CB 4.27Å; M228-K236 HydrophobicContact SD-CG 4.28Å; K236-Y238 WeakPolarHBondContact CE-OH 3.46Å; K236-Y238 PolarHBondContact NZ-OH 3.48Å
237G95.3Very high93.9Very high0 Ų043.5 Ų43.50%026%0.258CS..EExtended strand (participates in β ladder)trans-146.2-177.6177.500000111.9T127 S226 T227T127-G237 CarbonylContact O-C 3.59Å; T127-G237 WeakPolarHBondContact O-CA 3.28Å; S226-G237 WeakPolarHBondContact CA-O 3.48Å; T227-G237 PolarHBondContact N-O 2.95Å; T227-G237 PolarHBondContact O-N 3.45Å
238Y97.1Very high94Very high12 Ų1241.3 Ų41.35%0.04725%0.245CC..EExtended strand (participates in β ladder)trans-137.9162.7176.5-56.9-96000110T127 E129 L132 V138 M224 F225 S226 K236T127-Y238 PolarHBondContact N-O 2.97Å; T127-Y238 PolarHBondContact O-N 2.85Å; E129-Y238 HydrophobicContact CB-CD2 4.47Å; E129-Y238 HydrophobicContact CB-CE2 3.92Å; E129-Y238 HydrophobicContact CG-CE2 4.03Å; E129-Y238 VanDerWaalsContact OE1-CE2 3.31Å; E129-Y238 WeakPolarHBondContact OE1-CE2 3.29Å; E129-Y238 PolarHBondContact OE1-OH 3.46Å; L132-Y238 HydrophobicContact CD1-CD2 3.8Å; L132-Y238 HydrophobicContact CD1-CG 4.06Å; V138-Y238 HydrophobicContact CG2-CE2 4.08Å; M224-Y238 HydrophobicContact CB-CD1 3.53Å; M224-Y238 HydrophobicContact CB-CE1 4.22Å; M224-Y238 HydrophobicContact CB-CG 4.1Å; M224-Y238 HydrophobicContact CE-CD1 4.12Å; M224-Y238 HydrophobicContact CE-CD2 4.33Å; M224-Y238 HydrophobicContact CE-CE1 4.08Å; M224-Y238 HydrophobicContact CE-CE2 4.29Å; M224-Y238 HydrophobicContact CE-CG 4.26Å; M224-Y238 HydrophobicContact SD-CG 4.38Å; F225-Y238 CarbonylContact O-C 3.55Å; F225-Y238 WeakPolarHBondContact O-CA 3.49Å; S226-Y238 VanDerWaalsContact CA-CD1 3.49Å; K236-Y238 WeakPolarHBondContact CE-OH 3.46Å; K236-Y238 PolarHBondContact NZ-OH 3.48Å
239L98Very high94.1Very high46 Ų4640.1 Ų40.124%0.24124%0.243CC..EExtended strand (participates in β ladder)trans-76.3134.6155.6-60.4176000108.8M125 L126 F225 F273M125-L239 WeakPolarHBondContact O-CA 3.48Å; L126-L239 HydrophobicContact CD2-CD2 3.92Å; F225-L239 HydrophobicContact CB-CB 4.21Å; F225-L239 HydrophobicContact CB-CD1 4.04Å; F225-L239 HydrophobicContact CB-CG 4.27Å; F225-L239 PolarHBondContact O-N 3.08Å; L239-F273 HydrophobicContact CB-CB 3.78Å; L239-F273 HydrophobicContact CB-CD1 4.5Å; L239-F273 HydrophobicContact CB-CD2 3.68Å; L239-F273 HydrophobicContact CB-CE2 4.4Å; L239-F273 HydrophobicContact CB-CG 3.74Å; L239-F273 HydrophobicContact CD1-CB 4.39Å; L239-F273 HydrophobicContact CD1-CD1 3.84Å; L239-F273 HydrophobicContact CD1-CD2 4.34Å; L239-F273 HydrophobicContact CD1-CE1 4.16Å; L239-F273 HydrophobicContact CD1-CG 3.93Å; L239-F273 HydrophobicContact CG-CD2 4.46Å; L239-F273 HydrophobicContact CG-CG 4.43Å
240R97.2Very high94.3Very high10 Ų1040 Ų404%0.03824%0.243CC..  trans-61.5135.3-172.969.5-172.3176.6-161.58.1113.6C123 S124 M125 E242 S271 F273C123-R240 PolarHBondContact O-NH1 3.04Å; S124-R240 VanDerWaalsContact C-NH1 3.27Å; S124-R240 PolarHBondContact O-NH1 3.31Å; M125-R240 PolarHBondContact O-N 2.84Å; R240-E242 WeakPolarHBondContact CB-O 3.31Å; R240-E242 WeakPolarHBondContact CD-O 3.31Å; R240-E242 VanDerWaalsContact CG-O 3.25Å; R240-E242 WeakPolarHBondContact CG-O 3.49Å; R240-S271 PolarHBondContact NE-O 3.28Å; R240-S271 PolarHBondContact NH2-O 2.89Å; R240-F273 PolarHBondContact O-N 3.44Å
241P96Very high94.6Very high1 Ų137.8 Ų37.81%0.00622%0.22CC..SBendtrans-83.2-16.5176.233.8-35.3000113.9L132 H137 F141 M224 R274L132-P241 HydrophobicContact CD2-CG 4.03Å; H137-P241 VanDerWaalsContact CD2-CG 3.46Å; H137-P241 WeakPolarHBondContact CD2-CG 3.4Å; F141-P241 HydrophobicContact CD1-CB 4.19Å; F141-P241 HydrophobicContact CE1-CB 3.63Å; F141-P241 HydrophobicContact CZ-CB 3.87Å; M224-P241 HydrophobicContact CG-CB 4.28Å; M224-P241 HydrophobicContact CG-CG 4.27Å; M224-P241 HydrophobicContact SD-CG 3.95Å; P241-R274 PolarHBondContact O-NE 3.47Å; P241-R274 PolarHBondContact O-NH2 2.98Å
242E96.2Very high94.9Very high8 Ų835.3 Ų35.34%0.03720%0.196CC..  trans-145.6171.6175.464.8-173.4-154.500109.9H137 R240 A244 Q245 M291 R407H137-E242 VanDerWaalsContact CE1-CD 3.46Å; H137-E242 IonicContact CE1-OE1 2.74Å; H137-E242 PolarHBondContact CE1-OE1 2.9Å; H137-E242 IonicContact CE1-OE2 3.89Å; H137-E242 IonicContact NE2-OE2 3.75Å; R240-E242 WeakPolarHBondContact CB-O 3.31Å; R240-E242 WeakPolarHBondContact CD-O 3.31Å; R240-E242 VanDerWaalsContact CG-O 3.25Å; R240-E242 WeakPolarHBondContact CG-O 3.49Å; E242-A244 HydrophobicContact CG-CB 4.44Å; E242-Q245 HydrophobicContact CG-CG 4.01Å; E242-Q245 WeakPolarHBondContact OE1-CG 3.32Å; E242-Q245 PolarHBondContact OE1-NE2 3.4Å; E242-M291 HydrophobicContact CB-CE 4.05Å; E242-R407 IonicContact OE1-NH1 3.39Å; E242-R407 IonicContact OE1-NH2 3.27Å; E242-R407 PolarHBondContact OE1-NH2 3.04Å; E242-R407 IonicContact OE2-NH1 3.78Å
243T97.6Very high95.3Very high0 Ų039.1 Ų39.10%020%0.2CC..SBendtrans-101.9-27.8176.165.60000113.6Q245 G246 M291 E293T243-Q245 PolarHBondContact O-N 3.16Å; T243-G246 PolarHBondContact O-N 2.98Å; T243-M291 HydrophobicContact CG2-CE 4.08Å; T243-E293 WeakPolarHBondContact CA-OE2 3.37Å; T243-E293 WeakPolarHBondContact CB-OE2 3.38Å; T243-E293 PolarHBondContact N-OE2 3.38Å; T243-E293 WeakPolarHBondContact OG1-CG 3.42Å; T243-E293 PolarHBondContact OG1-OE2 3.32Å
244A96.4Very high95.9Very high0 Ų037.9 Ų37.90%018%0.184CC..Hα-helixtrans-40.2-44176.500000114.9E242 G246 I247 F248 E293 E295E242-A244 HydrophobicContact CG-CB 4.44Å; A244-G246 PolarHBondContact O-N 3.21Å; A244-G246 VanDerWaalsContact O-N 3.13Å; A244-I247 WeakPolarHBondContact O-CA 3.49Å; A244-I247 WeakPolarHBondContact O-CB 3.21Å; A244-I247 PolarHBondContact O-N 3.47Å; A244-F248 HydrophobicContact CB-CE2 3.75Å; A244-F248 HydrophobicContact CB-CZ 4.06Å; A244-F248 WeakPolarHBondContact O-CD2 3.39Å; A244-F248 PolarHBondContact O-N 2.93Å; A244-F248 VanDerWaalsContact O-N 3.08Å; A244-E293 PolarHBondContact N-OE2 2.95Å; A244-E295 WeakPolarHBondContact CA-OE1 3.49Å; A244-E295 WeakPolarHBondContact CB-OE1 3.37Å
245Q96Very high96.5Very high9 Ų930.8 Ų30.84%0.04215%0.152CC..Hα-helixtrans-57.9-29.1178.9-60-57.4-40.800114E242 T243 I247 V249 D411 H415E242-Q245 HydrophobicContact CG-CG 4.01Å; E242-Q245 WeakPolarHBondContact OE1-CG 3.32Å; E242-Q245 PolarHBondContact OE1-NE2 3.4Å; T243-Q245 PolarHBondContact O-N 3.16Å; Q245-I247 VanDerWaalsContact C-N 3.33Å; Q245-V249 WeakPolarHBondContact O-CG2 3.45Å; Q245-V249 PolarHBondContact O-N 2.82Å; Q245-D411 PolarHBondContact NE2-OD1 3.14Å; Q245-H415 PolarHBondContact OE1-CE1 2.81Å; Q245-H415 PolarHBondContact OE1-NE2 3.26Å
246G96.6Very high96.8Very high13 Ų1335.3 Ų35.313%0.13417%0.168CC..Hα-helixtrans-68.6-31.1173.400000113.1C123 T243 A244 V249 N250C123-G246 VanDerWaalsContact SG-C 3.54Å; C123-G246 PolarHBondContact SG-O 3.42Å; T243-G246 PolarHBondContact O-N 2.98Å; A244-G246 PolarHBondContact O-N 3.21Å; A244-G246 VanDerWaalsContact O-N 3.13Å; G246-V249 WeakPolarHBondContact O-CG2 3.26Å; G246-N250 PolarHBondContact O-ND2 2.84Å
247I98Very high96.9Very high0 Ų039.1 Ų39.10%018%0.184CC..Hα-helixtrans-77.5-45.2177.8-61.5168.7000109.5V121 A244 Q245 V249 N250 F251 L254 A266 Q268 E295 F297V121-I247 HydrophobicContact CG2-CG1 3.84Å; A244-I247 WeakPolarHBondContact O-CA 3.49Å; A244-I247 WeakPolarHBondContact O-CB 3.21Å; A244-I247 PolarHBondContact O-N 3.47Å; Q245-I247 VanDerWaalsContact C-N 3.33Å; I247-V249 PolarHBondContact O-N 3.3Å; I247-N250 CarbonylContact O-C 3.57Å; I247-N250 WeakPolarHBondContact O-CA 3.41Å; I247-N250 PolarHBondContact O-N 3.29Å; I247-F251 PolarHBondContact O-N 3.49Å; I247-F251 VanDerWaalsContact O-N 3.12Å; I247-L254 HydrophobicContact CG2-CD1 3.72Å; I247-A266 HydrophobicContact CG2-CB 3.63Å; I247-Q268 HydrophobicContact CD1-CB 3.98Å; I247-Q268 HydrophobicContact CG1-CB 4.32Å; I247-E295 HydrophobicContact CB-CG 3.84Å; I247-E295 HydrophobicContact CD1-CG 3.79Å; I247-E295 HydrophobicContact CG1-CG 4.41Å; I247-E295 HydrophobicContact CG2-CB 3.91Å; I247-E295 HydrophobicContact CG2-CG 3.65Å; I247-F297 HydrophobicContact CG2-CE2 4.1Å; I247-F297 HydrophobicContact CG2-CZ 4.08Å
248F97Very high97Very high0 Ų041.6 Ų41.60%020%0.197CC..Hα-helixtrans-59.5-42.2179.5-58-41.1000113.6A244 N250 F251 E295 F297 D411 L412 V517A244-F248 HydrophobicContact CB-CE2 3.75Å; A244-F248 HydrophobicContact CB-CZ 4.06Å; A244-F248 WeakPolarHBondContact O-CD2 3.39Å; A244-F248 PolarHBondContact O-N 2.93Å; A244-F248 VanDerWaalsContact O-N 3.08Å; F248-N250 PolarHBondContact O-N 3.49Å; F248-F251 VanDerWaalsContact O-CB 3.25Å; F248-F251 WeakPolarHBondContact O-CB 3.35Å; F248-F251 PolarHBondContact O-N 2.98Å; F248-E295 HydrophobicContact CD1-CG 4.39Å; F248-E295 HydrophobicContact CE1-CB 4.23Å; F248-E295 HydrophobicContact CE1-CG 3.7Å; F248-E295 WeakPolarHBondContact CE1-OE2 3.48Å; F248-E295 HydrophobicContact CZ-CG 4.06Å; F248-E295 WeakPolarHBondContact CZ-OE2 3.45Å; F248-F297 HydrophobicContact CD1-CE1 4.2Å; F248-F297 HydrophobicContact CD1-CZ 4.14Å; F248-F297 HydrophobicContact CE1-CE1 4.3Å; F248-F297 HydrophobicContact CE1-CZ 4.3Å; F248-D411 HydrophobicContact CD1-CB 4.21Å; F248-D411 HydrophobicContact CD2-CB 3.46Å; F248-D411 VanDerWaalsContact CD2-CB 3.46Å; F248-D411 HydrophobicContact CE1-CB 4.25Å; F248-D411 HydrophobicContact CE2-CB 3.52Å; F248-D411 WeakPolarHBondContact CE2-OD1 3.24Å; F248-D411 HydrophobicContact CG-CB 3.85Å; F248-D411 HydrophobicContact CZ-CB 3.93Å; F248-L412 HydrophobicContact CB-CD2 4.38Å; F248-L412 HydrophobicContact CD1-CD2 4.26Å; F248-V517 HydrophobicContact CE1-CG1 4.28Å; F248-V517 HydrophobicContact CE1-CG2 4.33Å
249V96.8Very high96.9Very high73 Ų7348 Ų4844%0.44223%0.228SC..THydrogen-bonded Turntrans-69.3-16.6176.7-59.80000113.5V131 Q245 G246 I247V131-V249 HydrophobicContact CG1-CG1 4.02Å; Q245-V249 WeakPolarHBondContact O-CG2 3.45Å; Q245-V249 PolarHBondContact O-N 2.82Å; G246-V249 WeakPolarHBondContact O-CG2 3.26Å; I247-V249 PolarHBondContact O-N 3.3Å
250N97.6Very high96.6Very high51 Ų5147.1 Ų47.127%0.27323%0.23SC..THydrogen-bonded Turntrans-99.62.6175-77.7-70.4000113.6C123 G246 I247 F248 Q252 R253 L254C123-N250 PolarHBondContact SG-ND2 3.12Å; C123-N250 VanDerWaalsContact SG-ND2 3.44Å; G246-N250 PolarHBondContact O-ND2 2.84Å; I247-N250 CarbonylContact O-C 3.57Å; I247-N250 WeakPolarHBondContact O-CA 3.41Å; I247-N250 PolarHBondContact O-N 3.29Å; F248-N250 PolarHBondContact O-N 3.49Å; N250-Q252 VanDerWaalsContact C-N 3.31Å; N250-Q252 PolarHBondContact O-N 2.63Å; N250-Q252 VanDerWaalsContact O-N 3.12Å; N250-R253 PolarHBondContact O-N 3.08Å; N250-L254 HydrophobicContact CB-CD1 4.15Å; N250-L254 HydrophobicContact CB-CG 4.49Å; N250-L254 PolarHBondContact O-N 2.99Å; N250-L254 VanDerWaalsContact O-N 3.16Å
251F97.8Very high96.4Very high0 Ų054.5 Ų54.50%026%0.258CS..Hα-helixtrans-47-47-172.6171.5-99.7000114I247 F248 R253 L254 L255 F264 F297 L412 L423 P515I247-F251 PolarHBondContact O-N 3.49Å; I247-F251 VanDerWaalsContact O-N 3.12Å; F248-F251 VanDerWaalsContact O-CB 3.25Å; F248-F251 WeakPolarHBondContact O-CB 3.35Å; F248-F251 PolarHBondContact O-N 2.98Å; F251-R253 VanDerWaalsContact C-N 3.31Å; F251-R253 PolarHBondContact O-N 3.28Å; F251-L254 PolarHBondContact O-N 3.41Å; F251-L255 HydrophobicContact CE1-CB 4.44Å; F251-L255 HydrophobicContact CE1-CD2 3.86Å; F251-L255 HydrophobicContact CE2-CB 4.47Å; F251-L255 HydrophobicContact CZ-CB 4.22Å; F251-L255 HydrophobicContact CZ-CD1 4.49Å; F251-L255 HydrophobicContact CZ-CD2 3.87Å; F251-L255 HydrophobicContact CZ-CG 4.41Å; F251-L255 VanDerWaalsContact O-CB 3.29Å; F251-L255 WeakPolarHBondContact O-CB 3.49Å; F251-L255 PolarHBondContact O-N 3.15Å; F251-F264 HydrophobicContact CD2-CZ 4.01Å; F251-F264 AromaticContact CE2-CE1 3.9Å; F251-F264 HydrophobicContact CE2-CE1 3.9Å; F251-F264 AromaticContact CE2-CZ 3.8Å; F251-F264 HydrophobicContact CE2-CZ 3.8Å; F251-F297 AromaticContact CD2-CD1 3.8Å; F251-F297 HydrophobicContact CD2-CD1 3.8Å; F251-F297 AromaticContact CD2-CE1 3.63Å; F251-F297 HydrophobicContact CD2-CE1 3.63Å; F251-F297 HydrophobicContact CD2-CE2 4.36Å; F251-F297 HydrophobicContact CD2-CG 4.27Å; F251-F297 AromaticContact CD2-CZ 3.93Å; F251-F297 HydrophobicContact CD2-CZ 3.93Å; F251-F297 AromaticContact CE2-CD1 3.69Å; F251-F297 HydrophobicContact CE2-CD1 3.69Å; F251-F297 HydrophobicContact CE2-CE1 4.03Å; F251-F297 AromaticContact CE2-CG 4Å; F251-F297 HydrophobicContact CE2-CG 4Å; F251-L412 HydrophobicContact CB-CD2 3.8Å; F251-L412 HydrophobicContact CD1-CD2 4.25Å; F251-L412 HydrophobicContact CD2-CD1 4.05Å; F251-L412 HydrophobicContact CD2-CD2 4.06Å; F251-L412 HydrophobicContact CE2-CD1 4.04Å; F251-L412 HydrophobicContact CG-CD1 4.31Å; F251-L412 HydrophobicContact CG-CD2 3.75Å; F251-L412 HydrophobicContact CZ-CD1 4.29Å; F251-L423 HydrophobicContact CD1-CB 3.94Å; F251-L423 HydrophobicContact CD1-CD2 4.44Å; F251-L423 HydrophobicContact CE1-CB 4.49Å; F251-P515 HydrophobicContact CE2-CG 3.86Å; F251-P515 HydrophobicContact CZ-CG 3.62Å
252Q96.1Very high96.4Very high93 Ų9356.5 Ų56.544%0.43527%0.268SS..Hα-helixtrans-60-37.7179.4-75-175.4-20.300113.2N250 Q256 R422 L423N250-Q252 VanDerWaalsContact C-N 3.31Å; N250-Q252 PolarHBondContact O-N 2.63Å; N250-Q252 VanDerWaalsContact O-N 3.12Å; Q252-Q256 VanDerWaalsContact O-CB 3.25Å; Q252-Q256 WeakPolarHBondContact O-CB 3.45Å; Q252-Q256 PolarHBondContact O-N 2.88Å; Q252-R422 PolarHBondContact NE2-O 3.09Å; Q252-L423 HydrophobicContact CG-CD2 3.85Å
253R97.3Very high96.3Very high175 Ų17558.8 Ų58.866%0.6628%0.284SS*.Hα-helixtrans-73.2-38.5179.6-63.9-175.2177.6-78.50.6111.4N250 F251 Q256 F257N250-R253 PolarHBondContact O-N 3.08Å; F251-R253 VanDerWaalsContact C-N 3.31Å; F251-R253 PolarHBondContact O-N 3.28Å; R253-Q256 PolarHBondContact O-N 3.38Å; R253-F257 WeakPolarHBondContact O-CB 3.43Å; R253-F257 PolarHBondContact O-N 3.19Å
254L98Very high96.3Very high11 Ų1159.2 Ų59.26%0.05829%0.286CS..Hα-helixtrans-66.7-46.3176.3-67163.8000111.3L119 V121 I247 N250 F251 Q256 F257 N258 F264 A266L119-L254 HydrophobicContact CB-CD2 3.81Å; L119-L254 HydrophobicContact CD1-CB 4.27Å; L119-L254 HydrophobicContact CD1-CD2 3.94Å; V121-L254 HydrophobicContact CG1-CD2 3.85Å; I247-L254 HydrophobicContact CG2-CD1 3.72Å; N250-L254 HydrophobicContact CB-CD1 4.15Å; N250-L254 HydrophobicContact CB-CG 4.49Å; N250-L254 PolarHBondContact O-N 2.99Å; N250-L254 VanDerWaalsContact O-N 3.16Å; F251-L254 PolarHBondContact O-N 3.41Å; L254-Q256 PolarHBondContact O-N 2.95Å; L254-F257 WeakPolarHBondContact O-CB 3.35Å; L254-F257 PolarHBondContact O-N 3.36Å; L254-N258 PolarHBondContact O-N 2.96Å; L254-F264 HydrophobicContact CB-CE2 3.72Å; L254-F264 HydrophobicContact CB-CZ 4.05Å; L254-A266 HydrophobicContact CD1-CB 3.78Å; L254-A266 HydrophobicContact CD2-CB 4.04Å; L254-A266 HydrophobicContact CG-CB 4.44Å
255L97.2Very high96.4Very high15 Ų1559.4 Ų59.48%0.07929%0.288CS..Hα-helixtrans-60.3-43173.3177.868.9000111.6F251 F257 N258 Q259 G260 F264 V424 A425F251-L255 HydrophobicContact CE1-CB 4.44Å; F251-L255 HydrophobicContact CE1-CD2 3.86Å; F251-L255 HydrophobicContact CE2-CB 4.47Å; F251-L255 HydrophobicContact CZ-CB 4.22Å; F251-L255 HydrophobicContact CZ-CD1 4.49Å; F251-L255 HydrophobicContact CZ-CD2 3.87Å; F251-L255 HydrophobicContact CZ-CG 4.41Å; F251-L255 VanDerWaalsContact O-CB 3.29Å; F251-L255 WeakPolarHBondContact O-CB 3.49Å; F251-L255 PolarHBondContact O-N 3.15Å; L255-F257 VanDerWaalsContact C-N 3.34Å; L255-F257 PolarHBondContact O-N 3.02Å; L255-N258 CarbonylContact O-C 3.46Å; L255-N258 VanDerWaalsContact O-C 3.31Å; L255-N258 PolarHBondContact O-N 3.38Å; L255-Q259 PolarHBondContact O-N 3.37Å; L255-G260 WeakPolarHBondContact O-CA 3.5Å; L255-G260 PolarHBondContact O-N 3.36Å; L255-F264 HydrophobicContact CB-CE1 4.04Å; L255-F264 HydrophobicContact CB-CZ 4.24Å; L255-F264 HydrophobicContact CD1-CD1 4.33Å; L255-F264 HydrophobicContact CD1-CE1 3.83Å; L255-V424 VanDerWaalsContact CD2-O 3.31Å; L255-V424 WeakPolarHBondContact CD2-O 3.26Å; L255-A425 HydrophobicContact CD1-CB 3.98Å; L255-A425 HydrophobicContact CD2-CB 3.98Å
256Q96.2Very high96.5Very high147 Ų14759 Ų5969%0.68729%0.286SS*.Hα-helixtrans-62.4-40.2175.3-174.8-17916.900111.9Q252 R253 L254 N258 Q259Q252-Q256 VanDerWaalsContact O-CB 3.25Å; Q252-Q256 WeakPolarHBondContact O-CB 3.45Å; Q252-Q256 PolarHBondContact O-N 2.88Å; R253-Q256 PolarHBondContact O-N 3.38Å; L254-Q256 PolarHBondContact O-N 2.95Å; Q256-N258 VanDerWaalsContact C-N 3.33Å; Q256-Q259 PolarHBondContact O-N 2.89Å
257F96.8Very high96.6Very high157 Ų15758.4 Ų58.469%0.68928%0.279SS*.Hα-helixtrans-62.8-40.3175-167.7-87.7000111.3L119 R253 L254 L255 Q259L119-F257 HydrophobicContact CD1-CB 4.3Å; L119-F257 HydrophobicContact CD1-CD1 3.9Å; L119-F257 HydrophobicContact CD1-CG 4.48Å; L119-F257 HydrophobicContact CD2-CD1 3.53Å; L119-F257 HydrophobicContact CD2-CE1 3.61Å; L119-F257 HydrophobicContact CG-CD1 4.37Å; R253-F257 WeakPolarHBondContact O-CB 3.43Å; R253-F257 PolarHBondContact O-N 3.19Å; L254-F257 WeakPolarHBondContact O-CB 3.35Å; L254-F257 PolarHBondContact O-N 3.36Å; L255-F257 VanDerWaalsContact C-N 3.34Å; L255-F257 PolarHBondContact O-N 3.02Å; F257-Q259 PolarHBondContact O-N 3.17Å; F257-Q259 VanDerWaalsContact O-N 3.13Å
258N96.6Very high96.6Very high52 Ų5258.4 Ų58.428%0.27828%0.279SS..THydrogen-bonded Turntrans-79.525.9170.3-15759.9000114.2L254 L255 Q256 G260 R261 F264L254-N258 PolarHBondContact O-N 2.96Å; L255-N258 CarbonylContact O-C 3.46Å; L255-N258 VanDerWaalsContact O-C 3.31Å; L255-N258 PolarHBondContact O-N 3.38Å; Q256-N258 VanDerWaalsContact C-N 3.33Å; N258-G260 PolarHBondContact O-N 3.38Å; N258-G260 VanDerWaalsContact O-N 3.08Å; N258-R261 PolarHBondContact ND2-O 3.47Å; N258-R261 WeakPolarHBondContact O-CB 3.32Å; N258-R261 PolarHBondContact O-N 2.63Å; N258-F264 HydrophobicContact CB-CB 4.07Å; N258-F264 HydrophobicContact CB-CD1 4.37Å; N258-F264 HydrophobicContact CB-CG 4.17Å; N258-F264 WeakPolarHBondContact ND2-CB 3.4Å
259Q95.1Very high96.7Very high147 Ų14759.3 Ų59.369%0.68728%0.284SS*.THydrogen-bonded Turntrans55.728.6174.5-51.5179.28.600114.7L255 Q256 F257 R261L255-Q259 PolarHBondContact O-N 3.37Å; Q256-Q259 PolarHBondContact O-N 2.89Å; F257-Q259 PolarHBondContact O-N 3.17Å; F257-Q259 VanDerWaalsContact O-N 3.13Å; Q259-R261 VanDerWaalsContact C-N 3.3Å; Q259-R261 PolarHBondContact O-N 3.14Å
260G93.1Very high96.7Very high28 Ų2856.4 Ų56.429%0.28927%0.269SS..THydrogen-bonded Turntrans79.52.3-177.500000115.2L255 N258L255-G260 WeakPolarHBondContact O-CA 3.5Å; L255-G260 PolarHBondContact O-N 3.36Å; N258-G260 PolarHBondContact O-N 3.38Å; N258-G260 VanDerWaalsContact O-N 3.08Å
261R92.7Very high96.7Very high165 Ų16554.9 Ų54.962%0.62326%0.262SS*.  trans-91.6148.2-169.5-57.1-177.9-173.9-172.32.5113N258 Q259N258-R261 PolarHBondContact ND2-O 3.47Å; N258-R261 WeakPolarHBondContact O-CB 3.32Å; N258-R261 PolarHBondContact O-N 2.63Å; Q259-R261 VanDerWaalsContact C-N 3.3Å; Q259-R261 PolarHBondContact O-N 3.14Å
262L94.7Very high96.7Very high43 Ų4354.9 Ų54.923%0.22526%0.262CS..SBendtrans-112.2153.2164.6-66.6176.9000109.8F264 F297 A425 I513 P515L262-F264 HydrophobicContact CD2-CD1 4Å; L262-F264 HydrophobicContact CD2-CE1 4.12Å; L262-F297 HydrophobicContact CD2-CB 3.99Å; L262-A425 HydrophobicContact CD1-CB 3.85Å; L262-A425 HydrophobicContact CD2-CB 4.45Å; L262-A425 HydrophobicContact CG-CB 3.98Å; L262-I513 HydrophobicContact CD1-CG2 3.98Å; L262-P515 HydrophobicContact CD1-CB 4.26Å; L262-P515 HydrophobicContact CD1-CG 4.12Å; L262-P515 HydrophobicContact CD2-CB 4.22Å; L262-P515 HydrophobicContact CD2-CG 4.05Å
263P95.7Very high96.8Very high56 Ų5651.4 Ų51.436%0.36425%0.246SC..SBendcis-75.1164-8.933.6-36.1000112.5Y296 F297 V298P263-Y296 HydrophobicContact CB-CE1 3.64Å; P263-Y296 HydrophobicContact CG-CE1 4.35Å; P263-Y296 WeakPolarHBondContact CG-OH 3.42Å; P263-F297 CarbonylContact C-O 3.59Å; P263-F297 WeakPolarHBondContact CA-O 3.32Å; P263-F297 VanDerWaalsContact CB-O 3.31Å; P263-F297 WeakPolarHBondContact CB-O 3.22Å; P263-V298 HydrophobicContact CB-CB 4.48Å; P263-V298 HydrophobicContact CB-CG2 4.43Å
264F97.3Very high96.7Very high9 Ų946.2 Ų46.24%0.03923%0.226CC..EExtended strand (participates in β ladder)trans-152.2154.7163.676.7-90.2000110.7L119 F251 L254 L255 N258 L262 A266 F297L119-F264 HydrophobicContact CD1-CD2 4.2Å; F251-F264 HydrophobicContact CD2-CZ 4.01Å; F251-F264 AromaticContact CE2-CE1 3.9Å; F251-F264 HydrophobicContact CE2-CE1 3.9Å; F251-F264 AromaticContact CE2-CZ 3.8Å; F251-F264 HydrophobicContact CE2-CZ 3.8Å; L254-F264 HydrophobicContact CB-CE2 3.72Å; L254-F264 HydrophobicContact CB-CZ 4.05Å; L255-F264 HydrophobicContact CB-CE1 4.04Å; L255-F264 HydrophobicContact CB-CZ 4.24Å; L255-F264 HydrophobicContact CD1-CD1 4.33Å; L255-F264 HydrophobicContact CD1-CE1 3.83Å; N258-F264 HydrophobicContact CB-CB 4.07Å; N258-F264 HydrophobicContact CB-CD1 4.37Å; N258-F264 HydrophobicContact CB-CG 4.17Å; N258-F264 WeakPolarHBondContact ND2-CB 3.4Å; L262-F264 HydrophobicContact CD2-CD1 4Å; L262-F264 HydrophobicContact CD2-CE1 4.12Å; F264-A266 HydrophobicContact CE2-CB 4.46Å; F264-F297 HydrophobicContact CD1-CB 4.19Å; F264-F297 AromaticContact CD2-CD2 3.97Å; F264-F297 HydrophobicContact CD2-CD2 3.97Å; F264-F297 HydrophobicContact CE1-CB 3.94Å; F264-F297 HydrophobicContact CE1-CD2 4Å; F264-F297 HydrophobicContact CE1-CG 4.11Å; F264-F297 AromaticContact CE2-CD2 3.36Å; F264-F297 HydrophobicContact CE2-CD2 3.36Å; F264-F297 AromaticContact CE2-CE2 3.78Å; F264-F297 HydrophobicContact CE2-CE2 3.78Å; F264-F297 HydrophobicContact CE2-CG 4.27Å; F264-F297 HydrophobicContact CZ-CB 4.21Å; F264-F297 AromaticContact CZ-CD2 3.39Å; F264-F297 HydrophobicContact CZ-CD2 3.39Å; F264-F297 AromaticContact CZ-CE2 3.92Å; F264-F297 HydrophobicContact CZ-CE2 3.92Å; F264-F297 AromaticContact CZ-CG 3.88Å; F264-F297 HydrophobicContact CZ-CG 3.88Å; F264-F297 PolarHBondContact N-O 3.06Å; F264-F297 PolarHBondContact O-N 2.99Å
265G97.3Very high96.4Very high4 Ų447.3 Ų47.34%0.04123%0.232CC..EExtended strand (participates in β ladder)trans-112.4143.917200000112.4L118 L119 E295L118-G265 WeakPolarHBondContact CA-O 3.24Å; L119-G265 PolarHBondContact N-O 3.46Å; G265-E295 WeakPolarHBondContact CA-O 3.46Å
266A98.4Very high96Very high0 Ų047.7 Ų47.70%023%0.234CC..EExtended strand (participates in β ladder)trans-122.1153.4166.300000109.5L119 I247 L254 F264 I294 E295 F297L119-A266 HydrophobicContact CB-CB 4.21Å; L119-A266 CarbonylContact O-C 3.46Å; L119-A266 VanDerWaalsContact O-CA 3.29Å; L119-A266 WeakPolarHBondContact O-CA 3.46Å; I247-A266 HydrophobicContact CG2-CB 3.63Å; L254-A266 HydrophobicContact CD1-CB 3.78Å; L254-A266 HydrophobicContact CD2-CB 4.04Å; L254-A266 HydrophobicContact CG-CB 4.44Å; F264-A266 HydrophobicContact CE2-CB 4.46Å; A266-I294 CarbonylContact O-C 3.58Å; A266-I294 WeakPolarHBondContact O-CA 3.31Å; A266-E295 PolarHBondContact N-O 3.09Å; A266-E295 PolarHBondContact O-N 2.89Å; A266-F297 HydrophobicContact CB-CE2 4.39Å
267A98.5Very high95.4Very high0 Ų041.2 Ų41.20%020%0.203CC..EExtended strand (participates in β ladder)trans-138.5148.7-174.900000112.1W108 I113 L118 L119 E120 V121 E293 I294W108-A267 HydrophobicContact CH2-CB 4.17Å; W108-A267 HydrophobicContact CZ3-CB 4.34Å; I113-A267 HydrophobicContact CD1-CB 4.25Å; I113-A267 HydrophobicContact CG1-CB 4.3Å; L118-A267 HydrophobicContact CB-CB 4.21Å; L118-A267 HydrophobicContact CD1-CB 4.28Å; L119-A267 PolarHBondContact O-N 3.25Å; E120-A267 CarbonylContact C-O 3.51Å; E120-A267 WeakPolarHBondContact CA-O 3.34Å; V121-A267 PolarHBondContact N-O 2.71Å; A267-E293 CarbonylContact C-O 3.53Å; A267-E293 VanDerWaalsContact CA-O 3.22Å; A267-E293 WeakPolarHBondContact CA-O 3.28Å; A267-I294 HydrophobicContact CB-CG1 4.28Å
268Q98.5Very high94.6Very high0 Ų035.1 Ų35.10%018%0.18CC..EExtended strand (participates in β ladder)trans-135.4139169.5179.616115.100111V121 D122 C123 I247 A292 E293V121-Q268 WeakPolarHBondContact O-CB 3.22Å; V121-Q268 VanDerWaalsContact O-CG 3.26Å; V121-Q268 WeakPolarHBondContact O-CG 3.23Å; D122-Q268 PolarHBondContact OD1-NE2 3.14Å; C123-Q268 PolarHBondContact O-NE2 3.4Å; C123-Q268 VanDerWaalsContact O-NE2 3.17Å; I247-Q268 HydrophobicContact CD1-CB 3.98Å; I247-Q268 HydrophobicContact CG1-CB 4.32Å; Q268-A292 CarbonylContact O-C 3.32Å; Q268-A292 WeakPolarHBondContact O-CA 3.38Å; Q268-E293 PolarHBondContact N-O 3.01Å; Q268-E293 PolarHBondContact O-N 2.6Å
269I98.5Very high93.8Very high19 Ų1932.9 Ų32.910%0.09717%0.169CC..EExtended strand (participates in β ladder)trans-117.2120.4171-68.8162.6000108.1L105 W108 R109 I113 T290 M291 A292L105-I269 HydrophobicContact CD1-CG2 3.95Å; L105-I269 HydrophobicContact CD2-CG2 3.68Å; L105-I269 HydrophobicContact CG-CG2 4.35Å; W108-I269 HydrophobicContact CE3-CD1 3.75Å; W108-I269 HydrophobicContact CE3-CG1 4.2Å; W108-I269 HydrophobicContact CZ3-CD1 3.86Å; W108-I269 HydrophobicContact CZ3-CG1 3.99Å; R109-I269 HydrophobicContact CG-CD1 3.8Å; I113-I269 HydrophobicContact CD1-CD1 4.42Å; I269-T290 HydrophobicContact CG2-CG2 4.35Å; I269-M291 WeakPolarHBondContact CA-O 3.32Å; I269-A292 HydrophobicContact CG1-CB 3.72Å
270G97.8Very high92.9Very high12 Ų1233.3 Ų33.312%0.12416%0.164CC..EExtended strand (participates in β ladder)trans-177174.7-179.600000114.9T290 M291G270-T290 WeakPolarHBondContact O-CA 3.47Å; G270-M291 PolarHBondContact N-O 3.12Å; G270-M291 VanDerWaalsContact N-O 3.11Å; G270-M291 PolarHBondContact O-N 3.44Å
271S97.9Very high92.5Very high19 Ų1934.1 Ų34.113%0.13317%0.165CC..EExtended strand (participates in β ladder)trans-73.2144.4174.4-72.60000111.9R240 E288 F289R240-S271 PolarHBondContact NE-O 3.28Å; R240-S271 PolarHBondContact NH2-O 2.89Å; S271-E288 PolarHBondContact OG-OE1 3.17Å; S271-F289 CarbonylContact C-O 3.31Å; S271-F289 VanDerWaalsContact CA-O 3.31Å; S271-F289 WeakPolarHBondContact CA-O 3.34Å
272A97.5Very high92.3Very high0 Ų026.9 Ų26.90%014%0.142CC..EExtended strand (participates in β ladder)trans-131.8155.8168.900000109.4F289 M291A272-F289 PolarHBondContact N-O 3.17Å; A272-F289 PolarHBondContact O-N 2.88Å; A272-F289 VanDerWaalsContact O-N 3.1Å; A272-M291 HydrophobicContact CB-CE 3.79Å; A272-M291 HydrophobicContact CB-CG 4.26Å; A272-M291 HydrophobicContact CB-SD 4.13Å
273F97.8Very high92.1Very high21 Ų2125 Ų259%0.09213%0.133CC..EExtended strand (participates in β ladder)trans-134.1120.7-162.7-56.6-94.9000111.2M125 F225 L239 R240 R287 E288M125-F273 HydrophobicContact CB-CE2 4.07Å; M125-F273 HydrophobicContact CG-CE2 4.06Å; M125-F273 HydrophobicContact SD-CE2 3.77Å; M125-F273 HydrophobicContact SD-CZ 3.81Å; F225-F273 HydrophobicContact CD2-CB 3.86Å; F225-F273 HydrophobicContact CE2-CB 4.33Å; L239-F273 HydrophobicContact CB-CB 3.78Å; L239-F273 HydrophobicContact CB-CD1 4.5Å; L239-F273 HydrophobicContact CB-CD2 3.68Å; L239-F273 HydrophobicContact CB-CE2 4.4Å; L239-F273 HydrophobicContact CB-CG 3.74Å; L239-F273 HydrophobicContact CD1-CB 4.39Å; L239-F273 HydrophobicContact CD1-CD1 3.84Å; L239-F273 HydrophobicContact CD1-CD2 4.34Å; L239-F273 HydrophobicContact CD1-CE1 4.16Å; L239-F273 HydrophobicContact CD1-CG 3.93Å; L239-F273 HydrophobicContact CG-CD2 4.46Å; L239-F273 HydrophobicContact CG-CG 4.43Å; R240-F273 PolarHBondContact O-N 3.44Å; F273-R287 CarbonylContact C-O 3.54Å; F273-R287 WeakPolarHBondContact CA-O 3.13Å; F273-E288 HydrophobicContact CD1-CB 3.99Å; F273-E288 HydrophobicContact CD1-CG 3.93Å; F273-E288 HydrophobicContact CE1-CB 4.03Å; F273-E288 HydrophobicContact CE1-CG 3.55Å; F273-E288 HydrophobicContact CZ-CG 4.2Å
274R94.5Very high92Very high66 Ų6623.3 Ų23.325%0.24912%0.12CC..  trans-129.1118179.3-62-176.4-177.3175.14.6109F141 L223 P241 E276 R287 F289F141-R274 HydrophobicContact CE1-CG 4.06Å; F141-R274 HydrophobicContact CZ-CG 4.03Å; L223-R274 CarbonylContact O-C 3.09Å; L223-R274 WeakPolarHBondContact O-CA 3.29Å; P241-R274 PolarHBondContact O-NE 3.47Å; P241-R274 PolarHBondContact O-NH2 2.98Å; R274-E276 PolarHBondContact O-N 3.43Å; R274-R287 PolarHBondContact N-O 2.99Å; R274-R287 WeakPolarHBondContact O-CA 3.27Å; R274-R287 WeakPolarHBondContact O-CG 3.42Å; R274-F289 HydrophobicContact CB-CE1 4.27Å; R274-F289 HydrophobicContact CG-CE1 3.93Å; R274-F289 HydrophobicContact CG-CZ 4.12Å
275N93.3Very high91.7Very high33 Ų3326.2 Ų26.218%0.17613%0.131CC..  trans-77.760.4-175-165.410000111.5F221 L223 F225 I277F221-N275 WeakPolarHBondContact CE1-O 3.5Å; F221-N275 WeakPolarHBondContact CZ-ND2 3.28Å; L223-N275 WeakPolarHBondContact CD2-O 3.49Å; L223-N275 PolarHBondContact O-N 3.27Å; F225-N275 HydrophobicContact CD1-CB 4.22Å; F225-N275 HydrophobicContact CD2-CB 3.92Å; F225-N275 HydrophobicContact CE1-CB 3.99Å; F225-N275 WeakPolarHBondContact CE1-OD1 3.33Å; F225-N275 VanDerWaalsContact CE2-CA 3.5Å; F225-N275 HydrophobicContact CE2-CB 3.71Å; F225-N275 HydrophobicContact CG-CB 4.19Å; F225-N275 HydrophobicContact CZ-CB 3.74Å; F225-N275 WeakPolarHBondContact CZ-OD1 3.38Å; N275-I277 PolarHBondContact O-N 2.6Å
276E88.6Confident91.5Very high24 Ų2426.7 Ų26.711%0.11213%0.133CC..  trans-51.1128.1-178.4-73.2-71.3-171.700111.7R274 S278 P279 R285 R287R274-E276 PolarHBondContact O-N 3.43Å; E276-S278 PolarHBondContact O-N 3.22Å; E276-P279 HydrophobicContact CB-CB 4.08Å; E276-P279 HydrophobicContact CB-CG 4.38Å; E276-P279 WeakPolarHBondContact O-CD 3.2Å; E276-R285 HydrophobicContact CG-CG 4.11Å; E276-R285 IonicContact OE1-CZ 2.68Å; E276-R285 IonicContact OE1-NE 2.77Å; E276-R285 PolarHBondContact OE1-NE 2.78Å; E276-R285 VanDerWaalsContact OE1-NE 3.16Å; E276-R285 IonicContact OE1-NH2 3.59Å; E276-R285 IonicContact OE2-CZ 2.7Å; E276-R285 IonicContact OE2-NE 2.73Å; E276-R285 PolarHBondContact OE2-NE 2.95Å; E276-R285 IonicContact OE2-NH2 3.79Å; E276-R285 PolarHBondContact OE2-NH2 2.8Å; E276-R287 HydrophobicContact CB-CG 4.01Å; E276-R287 VanDerWaalsContact O-CZ 3.23Å; E276-R287 PolarHBondContact O-NE 2.85Å; E276-R287 PolarHBondContact O-NH2 2.7Å
277I83.3Confident91.4Very high10 Ų1029.1 Ų29.15%0.05114%0.142CC..SBendtrans-65.4-42.6-176.9-66.4159.8000111D143 M145 C154 R156 F221 L223 N275D143-I277 HydrophobicContact CB-CD1 3.39Å; M145-I277 HydrophobicContact CB-CD1 3.9Å; M145-I277 HydrophobicContact CG-CD1 4.44Å; M145-I277 HydrophobicContact CG-CG2 4.02Å; M145-I277 HydrophobicContact SD-CG2 4.36Å; C154-I277 HydrophobicContact CB-CG2 4.11Å; R156-I277 HydrophobicContact CB-CB 4.41Å; R156-I277 HydrophobicContact CB-CD1 4.23Å; R156-I277 HydrophobicContact CB-CG2 4.44Å; R156-I277 HydrophobicContact CG-CD1 4.04Å; F221-I277 HydrophobicContact CB-CD1 4.38Å; F221-I277 HydrophobicContact CD1-CD1 3.97Å; F221-I277 HydrophobicContact CD1-CG1 3.51Å; F221-I277 HydrophobicContact CE1-CG1 3.9Å; F221-I277 HydrophobicContact CG-CG1 4.33Å; L223-I277 HydrophobicContact CD2-CD1 4.47Å; L223-I277 HydrophobicContact CD2-CG1 4.33Å; N275-I277 PolarHBondContact O-N 2.6Å
278S79.6Confident91.4Very high29 Ų2933.7 Ų33.720%0.20316%0.163CC..SBendtrans-140.671.8-178.3-49.20000111.3C154 E276 R280C154-S278 PolarHBondContact O-OG 3.11Å; E276-S278 PolarHBondContact O-N 3.22Å; S278-R280 PolarHBondContact O-N 2.9Å
279P79.4Confident91.3Very high6 Ų635.4 Ų35.44%0.03917%0.171CC..  trans-63.1133.7179.726.3-34000111.5Q88 E276 R285 R287Q88-P279 HydrophobicContact CB-CG 4.02Å; Q88-P279 WeakPolarHBondContact O-CG 3.48Å; E276-P279 HydrophobicContact CB-CB 4.08Å; E276-P279 HydrophobicContact CB-CG 4.38Å; E276-P279 WeakPolarHBondContact O-CD 3.2Å; P279-R285 WeakPolarHBondContact CB-O 3.38Å; P279-R287 HydrophobicContact CG-CG 4.35Å
280R76.5Confident91.3Very high155 Ų15535.1 Ų35.159%0.58517%0.17SC*.  trans-146171.9-175.5-67.4-175.1-176.6-159.80.4109.8S278S278-R280 PolarHBondContact O-N 2.9Å
281S83.8Confident91.3Very high45 Ų4534.8 Ų34.832%0.31517%0.165SC..THydrogen-bonded Turntrans65.250.6175.8-49.30000114.7L283 I284 Y396S281-L283 PolarHBondContact O-N 3.02Å; S281-I284 VanDerWaalsContact O-CB 3.3Å; S281-I284 WeakPolarHBondContact O-CB 3.34Å; S281-I284 WeakPolarHBondContact O-CG1 3.02Å; S281-I284 PolarHBondContact O-N 2.96Å; S281-Y396 VanDerWaalsContact CB-CE1 3.47Å; S281-Y396 WeakPolarHBondContact OG-CD1 3.29Å; S281-Y396 VanDerWaalsContact OG-CE1 3.29Å; S281-Y396 WeakPolarHBondContact OG-CE1 3.47Å
282G88.6Confident91.3Very high14 Ų1433.9 Ų33.914%0.14416%0.159CC..THydrogen-bonded Turntrans60.6-128171.800000112.8Y91 I284 V286Y91-G282 WeakPolarHBondContact CE2-O 3.45Å; Y91-G282 WeakPolarHBondContact OH-CA 3.42Å; Y91-G282 PolarHBondContact OH-O 2.96Å; G282-I284 VanDerWaalsContact C-N 3.27Å; G282-I284 PolarHBondContact O-N 2.94Å; G282-V286 WeakPolarHBondContact O-CG1 3.45Å
283L92.2Very high91.4Very high4 Ų434 Ų342%0.02116%0.16CC..THydrogen-bonded Turntrans-77.5-1.9178.4-61.4179.6000114.3Y77 Y91 Y93 S281Y77-L283 HydrophobicContact CD1-CD1 3.73Å; Y77-L283 HydrophobicContact CD1-CG 4.3Å; Y77-L283 HydrophobicContact CD2-CD2 4.14Å; Y77-L283 HydrophobicContact CD2-CG 4.38Å; Y77-L283 HydrophobicContact CE1-CD1 3.59Å; Y77-L283 HydrophobicContact CE1-CG 4Å; Y77-L283 HydrophobicContact CE2-CD2 4.27Å; Y77-L283 HydrophobicContact CE2-CG 4.11Å; Y77-L283 HydrophobicContact CG-CD1 4.27Å; Y77-L283 HydrophobicContact CG-CD2 4.3Å; Y77-L283 HydrophobicContact CG-CG 4.48Å; Y91-L283 HydrophobicContact CD2-CD2 3.81Å; Y91-L283 HydrophobicContact CG-CD2 3.83Å; Y93-L283 HydrophobicContact CE1-CD1 4.38Å; S281-L283 PolarHBondContact O-N 3.02Å
284I91.9Very high91.4Very high19 Ų1933 Ų3310%0.09716%0.155CC..THydrogen-bonded Turntrans-77.5-41-171.4-60.6167.4000112.3S281 G282 Y396 I399 R526 Y529S281-I284 VanDerWaalsContact O-CB 3.3Å; S281-I284 WeakPolarHBondContact O-CB 3.34Å; S281-I284 WeakPolarHBondContact O-CG1 3.02Å; S281-I284 PolarHBondContact O-N 2.96Å; G282-I284 VanDerWaalsContact C-N 3.27Å; G282-I284 PolarHBondContact O-N 2.94Å; I284-Y396 HydrophobicContact CD1-CD2 3.32Å; I284-Y396 HydrophobicContact CD1-CE2 3.84Å; I284-Y396 HydrophobicContact CD1-CG 3.88Å; I284-I399 HydrophobicContact CD1-CD1 3.89Å; I284-I399 HydrophobicContact CG1-CD1 3.97Å; I284-I399 HydrophobicContact CG2-CD1 4.38Å; I284-I399 HydrophobicContact CG2-CG2 4.21Å; I284-R526 PolarHBondContact O-NE 2.83Å; I284-Y529 HydrophobicContact CD1-CD1 3.95Å; I284-Y529 HydrophobicContact CD1-CE1 4.09Å; I284-Y529 HydrophobicContact CD1-CG 4.48Å; I284-Y529 HydrophobicContact CG1-CD1 4.15Å; I284-Y529 HydrophobicContact CG1-CG 4.3Å
285R91.2Very high91.6Very high70 Ų7029.9 Ų29.926%0.26414%0.143SC..SBendtrans-128.294.5177.6-167.4169.9-177.11531.3109.9E276 P279E276-R285 HydrophobicContact CG-CG 4.11Å; E276-R285 IonicContact OE1-CZ 2.68Å; E276-R285 IonicContact OE1-NE 2.77Å; E276-R285 PolarHBondContact OE1-NE 2.78Å; E276-R285 VanDerWaalsContact OE1-NE 3.16Å; E276-R285 IonicContact OE1-NH2 3.59Å; E276-R285 IonicContact OE2-CZ 2.7Å; E276-R285 IonicContact OE2-NE 2.73Å; E276-R285 PolarHBondContact OE2-NE 2.95Å; E276-R285 IonicContact OE2-NH2 3.79Å; E276-R285 PolarHBondContact OE2-NH2 2.8Å; P279-R285 WeakPolarHBondContact CB-O 3.38Å
286V94.6Very high91.8Very high15 Ų1529 Ų299%0.09114%0.138CC..  trans-124.4161.8-171-730000111.5G89 Y91 G282 F289G89-V286 CarbonylContact O-C 3.5Å; G89-V286 WeakPolarHBondContact O-CA 3.04Å; G89-V286 WeakPolarHBondContact O-CB 3.48Å; Y91-V286 HydrophobicContact CD2-CG1 3.67Å; Y91-V286 HydrophobicContact CE2-CG1 3.65Å; G282-V286 WeakPolarHBondContact O-CG1 3.45Å; V286-F289 HydrophobicContact CG2-CB 3.7Å; V286-F289 HydrophobicContact CG2-CD1 3.99Å; V286-F289 HydrophobicContact CG2-CG 4.11Å
287R95.8Very high92.2Very high51 Ų5127.8 Ų27.819%0.19213%0.132CC..SBendtrans-92.9-29.6-175.5-73.6176169.6156.2-10.3114.3Q88 G89 L90 F225 F273 R274 E276 P279Q88-R287 PolarHBondContact O-NH1 3.34Å; G89-R287 PolarHBondContact O-N 3.03Å; L90-R287 HydrophobicContact CD2-CB 3.9Å; F225-R287 HydrophobicContact CE2-CB 4.32Å; F225-R287 HydrophobicContact CZ-CB 4.14Å; F225-R287 HydrophobicContact CZ-CG 4.41Å; F273-R287 CarbonylContact C-O 3.54Å; F273-R287 WeakPolarHBondContact CA-O 3.13Å; R274-R287 PolarHBondContact N-O 2.99Å; R274-R287 WeakPolarHBondContact O-CA 3.27Å; R274-R287 WeakPolarHBondContact O-CG 3.42Å; E276-R287 HydrophobicContact CB-CG 4.01Å; E276-R287 VanDerWaalsContact O-CZ 3.23Å; E276-R287 PolarHBondContact O-NE 2.85Å; E276-R287 PolarHBondContact O-NH2 2.7Å; P279-R287 HydrophobicContact CG-CG 4.35Å
288E97.8Very high92.8Very high95 Ų9527.4 Ų27.444%0.44413%0.13SC..EExtended strand (participates in β ladder)trans-122.1135.8164.8178.6-177.7165.900108.2L90 S271 F273L90-E288 HydrophobicContact CD2-CB 3.93Å; S271-E288 PolarHBondContact OG-OE1 3.17Å; F273-E288 HydrophobicContact CD1-CB 3.99Å; F273-E288 HydrophobicContact CD1-CG 3.93Å; F273-E288 HydrophobicContact CE1-CB 4.03Å; F273-E288 HydrophobicContact CE1-CG 3.55Å; F273-E288 HydrophobicContact CZ-CG 4.2Å
289F97.3Very high93.5Very high36 Ų3626.9 Ų26.916%0.15813%0.125CC..EExtended strand (participates in β ladder)trans-152.2152173.551.6-72000110.9S271 A272 R274 V286 M291S271-F289 CarbonylContact C-O 3.31Å; S271-F289 VanDerWaalsContact CA-O 3.31Å; S271-F289 WeakPolarHBondContact CA-O 3.34Å; A272-F289 PolarHBondContact N-O 3.17Å; A272-F289 PolarHBondContact O-N 2.88Å; A272-F289 VanDerWaalsContact O-N 3.1Å; R274-F289 HydrophobicContact CB-CE1 4.27Å; R274-F289 HydrophobicContact CG-CE1 3.93Å; R274-F289 HydrophobicContact CG-CZ 4.12Å; V286-F289 HydrophobicContact CG2-CB 3.7Å; V286-F289 HydrophobicContact CG2-CD1 3.99Å; V286-F289 HydrophobicContact CG2-CG 4.11Å; F289-M291 HydrophobicContact CD2-CG 3.65Å; F289-M291 HydrophobicContact CD2-SD 4.13Å; F289-M291 HydrophobicContact CE2-CG 3.59Å; F289-M291 HydrophobicContact CE2-SD 3.42Å; F289-M291 WeakPolarHBondContact CE2-SD 3.3Å; F289-M291 HydrophobicContact CZ-SD 4.2Å
290T98.3Very high94.2Very high14 Ų1429.5 Ų29.59%0.08614%0.142CC..EExtended strand (participates in β ladder)trans-85.8136.5170-56.70000109.4K101 L105 I269 G270 I524K101-T290 VanDerWaalsContact CE-OG1 3.26Å; K101-T290 WeakPolarHBondContact CE-OG1 3.29Å; K101-T290 PolarHBondContact NZ-OG1 2.87Å; L105-T290 HydrophobicContact CD1-CG2 4.44Å; I269-T290 HydrophobicContact CG2-CG2 4.35Å; G270-T290 WeakPolarHBondContact O-CA 3.47Å; T290-I524 HydrophobicContact CG2-CG1 4.39Å; T290-I524 VanDerWaalsContact O-CB 3.31Å; T290-I524 WeakPolarHBondContact O-CB 3.48Å; T290-I524 WeakPolarHBondContact O-CG1 3.33Å; T290-I524 PolarHBondContact O-N 2.74Å
291M97.7Very high94.9Very high4 Ų425 Ų252%0.0213%0.134CC..EExtended strand (participates in β ladder)trans-115163.2169.4-52.7-164.9-49.300109.6E242 T243 I269 G270 A272 F289 E293 F522E242-M291 HydrophobicContact CB-CE 4.05Å; T243-M291 HydrophobicContact CG2-CE 4.08Å; I269-M291 WeakPolarHBondContact CA-O 3.32Å; G270-M291 PolarHBondContact N-O 3.12Å; G270-M291 VanDerWaalsContact N-O 3.11Å; G270-M291 PolarHBondContact O-N 3.44Å; A272-M291 HydrophobicContact CB-CE 3.79Å; A272-M291 HydrophobicContact CB-CG 4.26Å; A272-M291 HydrophobicContact CB-SD 4.13Å; F289-M291 HydrophobicContact CD2-CG 3.65Å; F289-M291 HydrophobicContact CD2-SD 4.13Å; F289-M291 HydrophobicContact CE2-CG 3.59Å; F289-M291 HydrophobicContact CE2-SD 3.42Å; F289-M291 WeakPolarHBondContact CE2-SD 3.3Å; F289-M291 HydrophobicContact CZ-SD 4.2Å; M291-E293 HydrophobicContact CB-CG 4.23Å; M291-E293 HydrophobicContact CE-CG 3.98Å; M291-E293 WeakPolarHBondContact CE-OE1 3.46Å; M291-E293 WeakPolarHBondContact CE-OE2 3.35Å; M291-F522 WeakPolarHBondContact CA-O 3.17Å
292A98.5Very high95.3Very high0 Ų025.5 Ų25.50%013%0.134CC..EExtended strand (participates in β ladder)trans-126.4124.9158.400000106.7W108 Q268 I269 F522 I524W108-A292 HydrophobicContact CD2-CB 3.8Å; W108-A292 HydrophobicContact CE3-CB 4.07Å; W108-A292 HydrophobicContact CG-CB 4.45Å; W108-A292 HydrophobicContact CH2-CB 3.76Å; W108-A292 HydrophobicContact CZ2-CB 3.5Å; W108-A292 HydrophobicContact CZ3-CB 4.04Å; Q268-A292 CarbonylContact O-C 3.32Å; Q268-A292 WeakPolarHBondContact O-CA 3.38Å; I269-A292 HydrophobicContact CG1-CB 3.72Å; A292-F522 HydrophobicContact CB-CB 4.32Å; A292-F522 PolarHBondContact N-O 2.88Å; A292-F522 WeakPolarHBondContact O-CB 3.3Å; A292-F522 WeakPolarHBondContact O-CD2 3.4Å; A292-F522 PolarHBondContact O-N 2.97Å; A292-I524 HydrophobicContact CB-CD1 4.02Å
293E98.5Very high95.6Very high3 Ų326.7 Ų26.71%0.01414%0.135CC..EExtended strand (participates in β ladder)trans-126.5149.2-177.3-57.6-170.5132.700110.1T243 A244 A267 Q268 M291 P520 S521T243-E293 WeakPolarHBondContact CA-OE2 3.37Å; T243-E293 WeakPolarHBondContact CB-OE2 3.38Å; T243-E293 PolarHBondContact N-OE2 3.38Å; T243-E293 WeakPolarHBondContact OG1-CG 3.42Å; T243-E293 PolarHBondContact OG1-OE2 3.32Å; A244-E293 PolarHBondContact N-OE2 2.95Å; A267-E293 CarbonylContact C-O 3.53Å; A267-E293 VanDerWaalsContact CA-O 3.22Å; A267-E293 WeakPolarHBondContact CA-O 3.28Å; Q268-E293 PolarHBondContact N-O 3.01Å; Q268-E293 PolarHBondContact O-N 2.6Å; M291-E293 HydrophobicContact CB-CG 4.23Å; M291-E293 HydrophobicContact CE-CG 3.98Å; M291-E293 WeakPolarHBondContact CE-OE1 3.46Å; M291-E293 WeakPolarHBondContact CE-OE2 3.35Å; E293-P520 WeakPolarHBondContact CA-O 3.43Å; E293-S521 WeakPolarHBondContact OE1-CB 3.32Å; E293-S521 PolarHBondContact OE1-OG 3.37Å
294I98.5Very high95.8Very high0 Ų034 Ų340%016%0.162CC..EExtended strand (participates in β ladder)trans-128.2122.8178.6-58168.9000107.5W108 F112 L118 A266 A267 E519 P520 F522W108-I294 HydrophobicContact CH2-CD1 3.87Å; W108-I294 HydrophobicContact CH2-CG1 3.46Å; W108-I294 VanDerWaalsContact CH2-CG1 3.46Å; W108-I294 HydrophobicContact CZ2-CD1 3.63Å; W108-I294 HydrophobicContact CZ2-CG1 3.58Å; F112-I294 HydrophobicContact CB-CD1 3.82Å; F112-I294 HydrophobicContact CD1-CD1 3.85Å; F112-I294 HydrophobicContact CG-CD1 3.9Å; L118-I294 HydrophobicContact CD1-CD1 3.7Å; L118-I294 HydrophobicContact CD1-CG1 3.87Å; L118-I294 HydrophobicContact CD1-CG2 3.9Å; L118-I294 HydrophobicContact CD2-CG2 4.13Å; A266-I294 CarbonylContact O-C 3.58Å; A266-I294 WeakPolarHBondContact O-CA 3.31Å; A267-I294 HydrophobicContact CB-CG1 4.28Å; I294-E519 WeakPolarHBondContact O-CA 3.42Å; I294-P520 HydrophobicContact CB-CB 4.37Å; I294-P520 HydrophobicContact CB-CG 4.39Å; I294-P520 HydrophobicContact CD1-CB 4.3Å; I294-P520 PolarHBondContact N-O 3.35Å; I294-P520 VanDerWaalsContact N-O 3.09Å; I294-P520 VanDerWaalsContact O-CD 3.3Å; I294-P520 WeakPolarHBondContact O-CD 3.41Å; I294-F522 HydrophobicContact CD1-CE2 4.26Å
295E98.1Very high96Very high0 Ų033.7 Ų33.70%016%0.16CC..EExtended strand (participates in β ladder)trans-99.6107.3166.6-51.7-48.1135.500108.5A244 I247 F248 G265 A266 F297 V517A244-E295 WeakPolarHBondContact CA-OE1 3.49Å; A244-E295 WeakPolarHBondContact CB-OE1 3.37Å; I247-E295 HydrophobicContact CB-CG 3.84Å; I247-E295 HydrophobicContact CD1-CG 3.79Å; I247-E295 HydrophobicContact CG1-CG 4.41Å; I247-E295 HydrophobicContact CG2-CB 3.91Å; I247-E295 HydrophobicContact CG2-CG 3.65Å; F248-E295 HydrophobicContact CD1-CG 4.39Å; F248-E295 HydrophobicContact CE1-CB 4.23Å; F248-E295 HydrophobicContact CE1-CG 3.7Å; F248-E295 WeakPolarHBondContact CE1-OE2 3.48Å; F248-E295 HydrophobicContact CZ-CG 4.06Å; F248-E295 WeakPolarHBondContact CZ-OE2 3.45Å; G265-E295 WeakPolarHBondContact CA-O 3.46Å; A266-E295 PolarHBondContact N-O 3.09Å; A266-E295 PolarHBondContact O-N 2.89Å; E295-F297 HydrophobicContact CB-CD2 4.42Å; E295-F297 HydrophobicContact CB-CE1 4.44Å; E295-F297 HydrophobicContact CB-CE2 3.59Å; E295-F297 HydrophobicContact CB-CZ 3.6Å; E295-F297 HydrophobicContact CG-CZ 4.38Å; E295-F297 WeakPolarHBondContact O-CD2 3.35Å; E295-F297 WeakPolarHBondContact O-CE2 3.42Å; E295-V517 HydrophobicContact CB-CG1 3.82Å; E295-V517 VanDerWaalsContact OE2-CG1 3.28Å; E295-V517 WeakPolarHBondContact OE2-CG1 3.29Å
296Y97.8Very high96.2Very high14 Ų1435.4 Ų35.46%0.05518%0.181CC..EExtended strand (participates in β ladder)trans-99.1102177.3-164.2-89.8000111L118 P263 V298 H305 T348 F352 V517 I518L118-Y296 HydrophobicContact CD2-CD2 4.43Å; P263-Y296 HydrophobicContact CB-CE1 3.64Å; P263-Y296 HydrophobicContact CG-CE1 4.35Å; P263-Y296 WeakPolarHBondContact CG-OH 3.42Å; Y296-V298 HydrophobicContact CD1-CB 4.45Å; Y296-H305 AromaticContact CE1-CD2 3.93Å; Y296-H305 AromaticContact CZ-CD2 3.69Å; Y296-H305 AromaticContact CZ-NE2 3.65Å; Y296-H305 PolarHBondContact OH-CD2 2.94Å; Y296-H305 PolarHBondContact OH-NE2 2.96Å; Y296-T348 HydrophobicContact CD1-CG2 3.57Å; Y296-T348 HydrophobicContact CE1-CG2 3.69Å; Y296-F352 AromaticContact CD1-CE2 3.94Å; Y296-F352 HydrophobicContact CD1-CE2 3.94Å; Y296-F352 AromaticContact CD2-CE2 3.75Å; Y296-F352 HydrophobicContact CD2-CE2 3.75Å; Y296-F352 AromaticContact CD2-CZ 3.5Å; Y296-F352 HydrophobicContact CD2-CZ 3.5Å; Y296-F352 HydrophobicContact CE1-CE2 4.5Å; Y296-F352 HydrophobicContact CE2-CE2 4.34Å; Y296-F352 HydrophobicContact CE2-CZ 4.05Å; Y296-F352 AromaticContact CG-CE2 3.51Å; Y296-F352 HydrophobicContact CG-CE2 3.51Å; Y296-F352 AromaticContact CG-CZ 3.77Å; Y296-F352 HydrophobicContact CG-CZ 3.77Å; Y296-V517 WeakPolarHBondContact O-CA 3.29Å; Y296-I518 PolarHBondContact N-O 3.16Å; Y296-I518 PolarHBondContact O-N 3.41Å
297F97.4Very high96.3Very high0 Ų037.3 Ų37.30%019%0.188CC..EExtended strand (participates in β ladder)trans-80.8120.4-177.7-58-84.5000110.4I247 F248 F251 L262 P263 F264 A266 E295 L412 P515 N516 V517I247-F297 HydrophobicContact CG2-CE2 4.1Å; I247-F297 HydrophobicContact CG2-CZ 4.08Å; F248-F297 HydrophobicContact CD1-CE1 4.2Å; F248-F297 HydrophobicContact CD1-CZ 4.14Å; F248-F297 HydrophobicContact CE1-CE1 4.3Å; F248-F297 HydrophobicContact CE1-CZ 4.3Å; F251-F297 AromaticContact CD2-CD1 3.8Å; F251-F297 HydrophobicContact CD2-CD1 3.8Å; F251-F297 AromaticContact CD2-CE1 3.63Å; F251-F297 HydrophobicContact CD2-CE1 3.63Å; F251-F297 HydrophobicContact CD2-CE2 4.36Å; F251-F297 HydrophobicContact CD2-CG 4.27Å; F251-F297 AromaticContact CD2-CZ 3.93Å; F251-F297 HydrophobicContact CD2-CZ 3.93Å; F251-F297 AromaticContact CE2-CD1 3.69Å; F251-F297 HydrophobicContact CE2-CD1 3.69Å; F251-F297 HydrophobicContact CE2-CE1 4.03Å; F251-F297 AromaticContact CE2-CG 4Å; F251-F297 HydrophobicContact CE2-CG 4Å; L262-F297 HydrophobicContact CD2-CB 3.99Å; P263-F297 CarbonylContact C-O 3.59Å; P263-F297 WeakPolarHBondContact CA-O 3.32Å; P263-F297 VanDerWaalsContact CB-O 3.31Å; P263-F297 WeakPolarHBondContact CB-O 3.22Å; F264-F297 HydrophobicContact CD1-CB 4.19Å; F264-F297 AromaticContact CD2-CD2 3.97Å; F264-F297 HydrophobicContact CD2-CD2 3.97Å; F264-F297 HydrophobicContact CE1-CB 3.94Å; F264-F297 HydrophobicContact CE1-CD2 4Å; F264-F297 HydrophobicContact CE1-CG 4.11Å; F264-F297 AromaticContact CE2-CD2 3.36Å; F264-F297 HydrophobicContact CE2-CD2 3.36Å; F264-F297 AromaticContact CE2-CE2 3.78Å; F264-F297 HydrophobicContact CE2-CE2 3.78Å; F264-F297 HydrophobicContact CE2-CG 4.27Å; F264-F297 HydrophobicContact CZ-CB 4.21Å; F264-F297 AromaticContact CZ-CD2 3.39Å; F264-F297 HydrophobicContact CZ-CD2 3.39Å; F264-F297 AromaticContact CZ-CE2 3.92Å; F264-F297 HydrophobicContact CZ-CE2 3.92Å; F264-F297 AromaticContact CZ-CG 3.88Å; F264-F297 HydrophobicContact CZ-CG 3.88Å; F264-F297 PolarHBondContact N-O 3.06Å; F264-F297 PolarHBondContact O-N 2.99Å; A266-F297 HydrophobicContact CB-CE2 4.39Å; E295-F297 HydrophobicContact CB-CD2 4.42Å; E295-F297 HydrophobicContact CB-CE1 4.44Å; E295-F297 HydrophobicContact CB-CE2 3.59Å; E295-F297 HydrophobicContact CB-CZ 3.6Å; E295-F297 HydrophobicContact CG-CZ 4.38Å; E295-F297 WeakPolarHBondContact O-CD2 3.35Å; E295-F297 WeakPolarHBondContact O-CE2 3.42Å; F297-L412 HydrophobicContact CD1-CD1 4.03Å; F297-L412 HydrophobicContact CE1-CD1 3.95Å; F297-L412 HydrophobicContact CE1-CD2 4.29Å; F297-L412 HydrophobicContact CE1-CG 4.4Å; F297-P515 HydrophobicContact CB-CB 4.01Å; F297-P515 HydrophobicContact CD1-CB 4.2Å; F297-N516 WeakPolarHBondContact CA-O 3.31Å; F297-V517 HydrophobicContact CD1-CG2 3.67Å; F297-V517 HydrophobicContact CE1-CG1 4.45Å; F297-V517 HydrophobicContact CE1-CG2 3.69Å
298V96Very high96.4Very high2 Ų235 Ų351%0.01218%0.179CC..EExtended strand (participates in β ladder)trans-131.5150.5-17566.20000111.7P263 Y296 D302 K303 P515 N516P263-V298 HydrophobicContact CB-CB 4.48Å; P263-V298 HydrophobicContact CB-CG2 4.43Å; Y296-V298 HydrophobicContact CD1-CB 4.45Å; V298-D302 WeakPolarHBondContact CG2-O 3.34Å; V298-K303 HydrophobicContact CG1-CG 4.12Å; V298-P515 WeakPolarHBondContact O-CA 3.43Å; V298-N516 HydrophobicContact CG1-CB 4.12Å; V298-N516 PolarHBondContact N-O 3.34Å; V298-N516 PolarHBondContact O-N 2.98Å
299D94.5Very high96.3Very high18 Ų1834.6 Ų34.610%0.09618%0.177CC..  trans-62.4123174.4-175-30.9000109.8S301 D302 K427D299-S301 PolarHBondContact O-N 2.86Å; D299-S301 WeakPolarHBondContact OD1-CA 3.34Å; D299-S301 VanDerWaalsContact OD1-CB 3.27Å; D299-S301 WeakPolarHBondContact OD1-CB 3.48Å; D299-S301 PolarHBondContact OD1-N 3.27Å; D299-S301 PolarHBondContact OD1-OG 3.24Å; D299-S301 PolarHBondContact OD2-OG 3.18Å; D299-D302 CarbonylContact O-C 3.56Å; D299-D302 VanDerWaalsContact O-C 3.31Å; D299-D302 PolarHBondContact O-N 3.29Å; D299-K427 IonicContact OD2-NZ 3.16Å; D299-K427 PolarHBondContact OD2-NZ 3.12Å
300P92.7Very high96.3Very high60 Ų6038.7 Ų38.739%0.3920%0.2SC..THydrogen-bonded Turntrans-62.9-21.5179.828.6-36.6000113.2I513 N516P300-I513 HydrophobicContact CG-CG2 3.96Å; P300-N516 WeakPolarHBondContact CA-ND2 3.41Å; P300-N516 VanDerWaalsContact CB-ND2 3.29Å; P300-N516 WeakPolarHBondContact CB-ND2 3.3Å
301S91.3Very high96.3Very high60 Ų6038.4 Ų38.442%0.4220%0.199SC..THydrogen-bonded Turntrans-79.4-23.8175.873.60000113.2D299 K1206D299-S301 PolarHBondContact O-N 2.86Å; D299-S301 WeakPolarHBondContact OD1-CA 3.34Å; D299-S301 VanDerWaalsContact OD1-CB 3.27Å; D299-S301 WeakPolarHBondContact OD1-CB 3.48Å; D299-S301 PolarHBondContact OD1-N 3.27Å; D299-S301 PolarHBondContact OD1-OG 3.24Å; D299-S301 PolarHBondContact OD2-OG 3.18Å; S301-K1206 PolarHBondContact O-NZ 2.83Å
302D92.6Very high96.3Very high56 Ų5640.9 Ų40.930%0.29921%0.208SC..  trans-142.385.7-173.3-171.38.2000112.8V298 D299 R304V298-D302 WeakPolarHBondContact CG2-O 3.34Å; D299-D302 CarbonylContact O-C 3.56Å; D299-D302 VanDerWaalsContact O-C 3.31Å; D299-D302 PolarHBondContact O-N 3.29Å; D302-R304 PolarHBondContact O-N 3.33Å; D302-R304 WeakPolarHBondContact OD1-CB 3.34Å; D302-R304 WeakPolarHBondContact OD1-CG 3.2Å; D302-R304 IonicContact OD1-CZ 3.28Å; D302-R304 PolarHBondContact OD1-N 3.5Å; D302-R304 IonicContact OD1-NE 2.67Å; D302-R304 PolarHBondContact OD1-NE 3.06Å; D302-R304 IonicContact OD1-NH2 3.21Å; D302-R304 IonicContact OD2-CZ 2.79Å; D302-R304 IonicContact OD2-NE 2.66Å; D302-R304 PolarHBondContact OD2-NE 2.98Å; D302-R304 IonicContact OD2-NH2 3.65Å; D302-R304 PolarHBondContact OD2-NH2 3.37Å
303K94.5Very high96.3Very high39 Ų3946.9 Ų46.917%0.1724%0.24CC..  trans-86.134.2175.1-65.1-169.8173.2-179.80114.1V298 N346 T348 D406 N516V298-K303 HydrophobicContact CG1-CG 4.12Å; K303-N346 HydrophobicContact CB-CB 3.68Å; K303-N346 HydrophobicContact CD-CB 4.2Å; K303-T348 PolarHBondContact O-N 3.3Å; K303-T348 PolarHBondContact O-OG1 3.47Å; K303-D406 IonicContact NZ-OD1 3.3Å; K303-D406 PolarHBondContact NZ-OD1 1.89Å; K303-D406 IonicContact NZ-OD2 3.72Å; K303-D406 PolarHBondContact NZ-OD2 2.81Å; K303-N516 WeakPolarHBondContact CE-ND2 3.19Å; K303-N516 PolarHBondContact NZ-ND2 3.19Å
304R95.9Very high96.3Very high159 Ų15947.7 Ų47.760%0.625%0.245SC*.  trans-77.6150.6168.7-68.4-179.7-63.8162.64.9110.7D302 T348D302-R304 PolarHBondContact O-N 3.33Å; D302-R304 WeakPolarHBondContact OD1-CB 3.34Å; D302-R304 WeakPolarHBondContact OD1-CG 3.2Å; D302-R304 IonicContact OD1-CZ 3.28Å; D302-R304 PolarHBondContact OD1-N 3.5Å; D302-R304 IonicContact OD1-NE 2.67Å; D302-R304 PolarHBondContact OD1-NE 3.06Å; D302-R304 IonicContact OD1-NH2 3.21Å; D302-R304 IonicContact OD2-CZ 2.79Å; D302-R304 IonicContact OD2-NE 2.66Å; D302-R304 PolarHBondContact OD2-NE 2.98Å; D302-R304 IonicContact OD2-NH2 3.65Å; D302-R304 PolarHBondContact OD2-NH2 3.37Å; R304-T348 PolarHBondContact O-OG1 2.86Å
305H97Very high96.2Very high11 Ų1153.5 Ų53.55%0.05127%0.272CS..  trans-122.9128.4174.2-168.9-96.4000110.2Y296 K307 F308 T348 Y351Y296-H305 AromaticContact CE1-CD2 3.93Å; Y296-H305 AromaticContact CZ-CD2 3.69Å; Y296-H305 AromaticContact CZ-NE2 3.65Å; Y296-H305 PolarHBondContact OH-CD2 2.94Å; Y296-H305 PolarHBondContact OH-NE2 2.96Å; H305-K307 VanDerWaalsContact C-N 3.3Å; H305-K307 PolarHBondContact ND1-N 2.86Å; H305-K307 PolarHBondContact O-N 2.78Å; H305-F308 HydrophobicContact CB-CB 4.31Å; H305-F308 VanDerWaalsContact O-CB 3.3Å; H305-F308 WeakPolarHBondContact O-CB 3.28Å; H305-F308 PolarHBondContact O-N 3.22Å; H305-T348 HydrophobicContact CB-CG2 4.5Å; H305-Y351 AromaticContact CE1-CD1 3.24Å; H305-Y351 WeakPolarHBondContact CE1-CD1 3.12Å; H305-Y351 AromaticContact CE1-CD2 3.93Å; H305-Y351 AromaticContact CE1-CE1 3.21Å; H305-Y351 WeakPolarHBondContact CE1-CE1 3.4Å; H305-Y351 AromaticContact CE1-CE2 3.92Å; H305-Y351 AromaticContact CE1-CG 3.61Å; H305-Y351 AromaticContact CE1-CZ 3.57Å; H305-Y351 AromaticContact CG-CD1 3.99Å; H305-Y351 AromaticContact CG-CG 3.87Å; H305-Y351 AromaticContact ND1-CD1 3.36Å; H305-Y351 WeakPolarHBondContact ND1-CD1 3.05Å; H305-Y351 AromaticContact ND1-CD2 3.47Å; H305-Y351 WeakPolarHBondContact ND1-CD2 3.33Å; H305-Y351 AromaticContact ND1-CE1 3.74Å; H305-Y351 AromaticContact ND1-CE2 3.86Å; H305-Y351 AromaticContact ND1-CG 3.2Å; H305-Y351 AromaticContact ND1-CZ 3.97Å; H305-Y351 AromaticContact NE2-CD1 3.83Å; H305-Y351 AromaticContact NE2-CE1 3.93Å
306P94.7Very high96.1Very high107 Ų10753.5 Ų53.570%0.69527%0.272SS*.THydrogen-bonded Turntrans-60.4-38.5-171.722.3-33.3000112.8F308P306-F308 VanDerWaalsContact C-N 3.32Å; P306-F308 PolarHBondContact O-N 3.44Å
307K96.9Very high96.1Very high55 Ų5555.1 Ų55.124%0.23928%0.282CS..THydrogen-bonded Turntrans-85.610.7178.4-60.2-174.8177-1760114.6E115 H305 E309 D310 Y351E115-K307 PolarHBondContact O-NZ 3.18Å; E115-K307 IonicContact OE1-NZ 3.48Å; E115-K307 PolarHBondContact OE1-NZ 3.24Å; H305-K307 VanDerWaalsContact C-N 3.3Å; H305-K307 PolarHBondContact ND1-N 2.86Å; H305-K307 PolarHBondContact O-N 2.78Å; K307-E309 VanDerWaalsContact C-N 3.3Å; K307-E309 PolarHBondContact O-N 3.07Å; K307-D310 VanDerWaalsContact CA-OD2 3.31Å; K307-D310 WeakPolarHBondContact CA-OD2 3.4Å; K307-D310 WeakPolarHBondContact CB-OD2 3.43Å; K307-D310 PolarHBondContact O-N 3Å; K307-Y351 HydrophobicContact CB-CD2 4.11Å; K307-Y351 HydrophobicContact CB-CE2 3.41Å; K307-Y351 VanDerWaalsContact CB-CE2 3.41Å; K307-Y351 WeakPolarHBondContact O-CD2 3.49Å; K307-Y351 WeakPolarHBondContact O-CE2 3.37Å
308F98Very high96.1Very high3 Ų355.3 Ų55.31%0.01328%0.283CS..Hα-helixtrans-65.1-33.9-178.8-178.2-115.7000112.8H305 P306 D310 V311 R312 I335 V339 Q347H305-F308 HydrophobicContact CB-CB 4.31Å; H305-F308 VanDerWaalsContact O-CB 3.3Å; H305-F308 WeakPolarHBondContact O-CB 3.28Å; H305-F308 PolarHBondContact O-N 3.22Å; P306-F308 VanDerWaalsContact C-N 3.32Å; P306-F308 PolarHBondContact O-N 3.44Å; F308-D310 VanDerWaalsContact C-N 3.27Å; F308-D310 PolarHBondContact O-N 2.81Å; F308-V311 HydrophobicContact CD2-CG2 4.27Å; F308-V311 WeakPolarHBondContact O-CG2 3.44Å; F308-V311 PolarHBondContact O-N 3.15Å; F308-R312 HydrophobicContact CE1-CG 4.38Å; F308-R312 WeakPolarHBondContact O-CB 3.41Å; F308-R312 PolarHBondContact O-N 2.92Å; F308-I335 HydrophobicContact CE2-CG1 4.24Å; F308-I335 HydrophobicContact CE2-CG2 4.24Å; F308-V339 HydrophobicContact CE1-CB 4.35Å; F308-V339 HydrophobicContact CE1-CG1 4.42Å; F308-V339 HydrophobicContact CE1-CG2 4.49Å; F308-V339 HydrophobicContact CE2-CG2 4.13Å; F308-V339 HydrophobicContact CZ-CB 3.89Å; F308-V339 HydrophobicContact CZ-CG1 4.34Å; F308-V339 HydrophobicContact CZ-CG2 3.65Å; F308-Q347 HydrophobicContact CB-CB 4.09Å; F308-Q347 HydrophobicContact CD1-CB 3.83Å; F308-Q347 HydrophobicContact CD1-CG 3.55Å; F308-Q347 HydrophobicContact CD2-CB 4.21Å; F308-Q347 VanDerWaalsContact CD2-O 3.32Å; F308-Q347 WeakPolarHBondContact CD2-O 3.2Å; F308-Q347 HydrophobicContact CE1-CB 4.31Å; F308-Q347 HydrophobicContact CE1-CG 3.81Å; F308-Q347 HydrophobicContact CG-CB 3.77Å; F308-Q347 HydrophobicContact CG-CG 4.05Å
309E97.2Very high96Very high86 Ų8655.5 Ų55.540%0.40228%0.283SS..Hα-helixtrans-63.3-33.5179.8-173.662.8-16900112.3K307 V311 R312 K1155K307-E309 VanDerWaalsContact C-N 3.3Å; K307-E309 PolarHBondContact O-N 3.07Å; E309-V311 VanDerWaalsContact C-N 3.32Å; E309-V311 PolarHBondContact O-N 3.2Å; E309-R312 WeakPolarHBondContact O-CB 3.5Å; E309-R312 PolarHBondContact O-N 3.18Å; E309-R312 WeakPolarHBondContact OE2-CD 3.34Å; E309-R312 IonicContact OE2-NE 3.75Å; E309-K1155 VanDerWaalsContact CG-NZ 3.27Å; E309-K1155 IonicContact OE1-NZ 2.65Å; E309-K1155 PolarHBondContact OE1-NZ 2.95Å
310D97.1Very high95.8Very high121 Ų12155.1 Ų55.165%0.64728%0.282SS*.Hα-helixtrans-66.8-34.4-178-51.2-42.2000112.2K307 F308K307-D310 VanDerWaalsContact CA-OD2 3.31Å; K307-D310 WeakPolarHBondContact CA-OD2 3.4Å; K307-D310 WeakPolarHBondContact CB-OD2 3.43Å; K307-D310 PolarHBondContact O-N 3Å; F308-D310 VanDerWaalsContact C-N 3.27Å; F308-D310 PolarHBondContact O-N 2.81Å
311V97.7Very high95.5Very high9 Ų953.7 Ų53.76%0.05527%0.274CS..Hα-helixtrans-100-3.6179.1-59.20000113.5F308 E309 N313 T314 I335 Y351 A354 L358F308-V311 HydrophobicContact CD2-CG2 4.27Å; F308-V311 WeakPolarHBondContact O-CG2 3.44Å; F308-V311 PolarHBondContact O-N 3.15Å; E309-V311 VanDerWaalsContact C-N 3.32Å; E309-V311 PolarHBondContact O-N 3.2Å; V311-N313 PolarHBondContact O-N 2.59Å; V311-T314 VanDerWaalsContact O-CB 3.28Å; V311-T314 WeakPolarHBondContact O-CB 3.25Å; V311-T314 PolarHBondContact O-N 3.39Å; V311-T314 PolarHBondContact O-OG1 3.37Å; V311-I335 WeakPolarHBondContact O-CG2 3.44Å; V311-Y351 HydrophobicContact CG1-CD2 4.33Å; V311-Y351 HydrophobicContact CG1-CE2 4.1Å; V311-Y351 HydrophobicContact CG2-CD2 3.6Å; V311-Y351 HydrophobicContact CG2-CE2 4.21Å; V311-A354 HydrophobicContact CB-CB 3.78Å; V311-A354 HydrophobicContact CG1-CB 4.48Å; V311-A354 HydrophobicContact CG2-CB 3.83Å; V311-L358 HydrophobicContact CG1-CD1 4.18Å
312R97.9Very high95.1Very high56 Ų5654 Ų5421%0.21127%0.274CS..THydrogen-bonded Turntrans-55-30.6-170.4-173170.3166.970-1.8114.4F308 E309 G336 D340F308-R312 HydrophobicContact CE1-CG 4.38Å; F308-R312 WeakPolarHBondContact O-CB 3.41Å; F308-R312 PolarHBondContact O-N 2.92Å; E309-R312 WeakPolarHBondContact O-CB 3.5Å; E309-R312 PolarHBondContact O-N 3.18Å; E309-R312 WeakPolarHBondContact OE2-CD 3.34Å; E309-R312 IonicContact OE2-NE 3.75Å; R312-G336 WeakPolarHBondContact O-CA 3.25Å; R312-G336 PolarHBondContact O-N 3.12Å; R312-D340 IonicContact CZ-OD1 3.87Å; R312-D340 IonicContact CZ-OD2 3.73Å; R312-D340 IonicContact NH1-OD1 3.91Å; R312-D340 PolarHBondContact NH1-OD1 3.27Å; R312-D340 IonicContact NH1-OD2 2.63Å; R312-D340 VanDerWaalsContact NH2-CG 3.25Å; R312-D340 IonicContact NH2-OD1 2.72Å; R312-D340 PolarHBondContact NH2-OD1 2.88Å; R312-D340 IonicContact NH2-OD2 3.81Å; R312-D340 PolarHBondContact NH2-OD2 3.04Å
313N98.1Very high94.8Very high126 Ų12651.9 Ų51.967%0.67426%0.264SS*.THydrogen-bonded Turntrans-89.73.9-179-58-50000114.1V311 E315V311-N313 PolarHBondContact O-N 2.59Å; N313-E315 PolarHBondContact O-N 2.89Å
314T97.7Very high94.3Very high20 Ų2050.3 Ų50.312%0.12326%0.257CS..  trans-65.1115.4177.7-52.20000109.7V311 M316 T334 I335 A354 L358V311-T314 VanDerWaalsContact O-CB 3.28Å; V311-T314 WeakPolarHBondContact O-CB 3.25Å; V311-T314 PolarHBondContact O-N 3.39Å; V311-T314 PolarHBondContact O-OG1 3.37Å; T314-M316 HydrophobicContact CG2-CG 3.94Å; T314-M316 HydrophobicContact CG2-SD 4.35Å; T314-T334 WeakPolarHBondContact O-CA 3.39Å; T314-I335 PolarHBondContact O-N 3.33Å; T314-A354 HydrophobicContact CG2-CB 4.43Å; T314-L358 HydrophobicContact CG2-CD2 4.33Å; T314-L358 HydrophobicContact CG2-CG 4.32Å
315E97.1Very high93.2Very high121 Ų12143.5 Ų43.557%0.56523%0.232SC*.EExtended strand (participates in β ladder)trans-72.5130170.9-72.9-170.1-168.600110.4N313 N332 T334 H357N313-E315 PolarHBondContact O-N 2.89Å; E315-N332 PolarHBondContact OE2-ND2 2.97Å; E315-T334 HydrophobicContact CG-CG2 4.16Å; E315-H357 PolarHBondContact O-NE2 3.4Å
316M96.7Very high92.2Very high0 Ų043.9 Ų43.90%024%0.236CC..EExtended strand (participates in β ladder)trans-139.3137.1-175.3-64.5-177.557.700111.3T314 L318 N332 V333 I335 M353 A354 H357 F372T314-M316 HydrophobicContact CG2-CG 3.94Å; T314-M316 HydrophobicContact CG2-SD 4.35Å; M316-L318 HydrophobicContact CB-CD2 3.84Å; M316-L318 HydrophobicContact CB-CG 4.37Å; M316-L318 HydrophobicContact CE-CD2 4.17Å; M316-L318 PolarHBondContact O-N 3.31Å; M316-L318 VanDerWaalsContact O-N 3.16Å; M316-N332 PolarHBondContact N-OD1 3.44Å; M316-N332 WeakPolarHBondContact O-CA 3.36Å; M316-N332 PolarHBondContact O-OD1 2.92Å; M316-V333 PolarHBondContact N-O 3.49Å; M316-V333 PolarHBondContact O-N 2.91Å; M316-I335 HydrophobicContact SD-CB 4.08Å; M316-I335 HydrophobicContact SD-CD1 4.02Å; M316-I335 HydrophobicContact SD-CG1 4.24Å; M316-M353 HydrophobicContact CE-CB 4.04Å; M316-M353 WeakPolarHBondContact CE-O 3.33Å; M316-A354 HydrophobicContact SD-CB 4.11Å; M316-H357 HydrophobicContact CE-CB 3.85Å; M316-H357 HydrophobicContact CG-CB 4.36Å; M316-H357 HydrophobicContact SD-CB 4.14Å; M316-F372 HydrophobicContact CE-CD1 3.98Å; M316-F372 HydrophobicContact CE-CD2 3.4Å; M316-F372 VanDerWaalsContact CE-CD2 3.4Å; M316-F372 HydrophobicContact CE-CE1 3.96Å; M316-F372 HydrophobicContact CE-CE2 3.42Å; M316-F372 VanDerWaalsContact CE-CE2 3.42Å; M316-F372 HydrophobicContact CE-CG 3.7Å; M316-F372 HydrophobicContact CE-CZ 3.69Å
317L96.7Very high91.1Very high48 Ų4838.8 Ų38.825%0.25120%0.203SC..EExtended strand (participates in β ladder)trans-79.393.7173.7-173.162.4000110.3P330 R371 F372L317-P330 HydrophobicContact CD1-CB 3.73Å; L317-P330 HydrophobicContact CD2-CB 4.45Å; L317-P330 HydrophobicContact CG-CB 3.87Å; L317-R371 HydrophobicContact CB-CB 4.44Å; L317-R371 HydrophobicContact CD2-CB 4.03Å; L317-R371 HydrophobicContact CG-CB 4.13Å; L317-R371 CarbonylContact O-C 3.52Å; L317-R371 WeakPolarHBondContact O-CA 3.04Å; L317-F372 PolarHBondContact O-N 3.3Å
318L97Very high90.2Very high5 Ų539.4 Ų39.43%0.02621%0.207CC..EExtended strand (participates in β ladder)trans-94.2136.4-178.9-56.1-167.3000111.6M316 P330 R331 V333 A338 V344 M353 F372 W388M316-L318 HydrophobicContact CB-CD2 3.84Å; M316-L318 HydrophobicContact CB-CG 4.37Å; M316-L318 HydrophobicContact CE-CD2 4.17Å; M316-L318 PolarHBondContact O-N 3.31Å; M316-L318 VanDerWaalsContact O-N 3.16Å; L318-P330 CarbonylContact O-C 3.55Å; L318-P330 WeakPolarHBondContact O-CA 3.31Å; L318-R331 PolarHBondContact N-O 3.03Å; L318-R331 PolarHBondContact O-N 3.35Å; L318-V333 HydrophobicContact CB-CG2 4.26Å; L318-V333 HydrophobicContact CD1-CG2 3.59Å; L318-V333 HydrophobicContact CG-CG2 3.76Å; L318-A338 HydrophobicContact CD1-CB 3.56Å; L318-V344 HydrophobicContact CD1-CG2 4.25Å; L318-M353 HydrophobicContact CD2-CE 3.91Å; L318-F372 HydrophobicContact CD2-CB 3.74Å; L318-F372 HydrophobicContact CD2-CG 4.47Å; L318-W388 HydrophobicContact CB-CH2 4.32Å; L318-W388 HydrophobicContact CB-CZ3 3.97Å; L318-W388 HydrophobicContact CD1-CH2 4.33Å; L318-W388 HydrophobicContact CD1-CZ3 4.44Å; L318-W388 HydrophobicContact CD2-CZ3 4.25Å; L318-W388 HydrophobicContact CG-CZ3 4.45Å
319Y93.8Very high89.6Confident6 Ų646.4 Ų46.42%0.02423%0.233CC..EExtended strand (participates in β ladder)trans-117.681.6171.7-166.3-163.8000108.8D323 Q324 E328 P330 F372 R373 Q374Y319-D323 HydrophobicContact CD2-CB 3.99Å; Y319-D323 HydrophobicContact CE2-CB 4.23Å; Y319-Q324 HydrophobicContact CD1-CG 3.82Å; Y319-Q324 HydrophobicContact CD2-CG 3.6Å; Y319-Q324 HydrophobicContact CE1-CG 3.66Å; Y319-Q324 HydrophobicContact CE2-CB 4.09Å; Y319-Q324 HydrophobicContact CE2-CG 3.4Å; Y319-Q324 VanDerWaalsContact CE2-CG 3.4Å; Y319-Q324 HydrophobicContact CG-CG 3.8Å; Y319-Q324 VanDerWaalsContact CZ-CG 3.45Å; Y319-Q324 PolarHBondContact O-NE2 3.04Å; Y319-E328 VanDerWaalsContact CE2-O 3.3Å; Y319-E328 WeakPolarHBondContact CE2-O 3.22Å; Y319-P330 HydrophobicContact CD1-CG 4.03Å; Y319-P330 HydrophobicContact CD2-CB 4.45Å; Y319-P330 HydrophobicContact CD2-CG 3.93Å; Y319-P330 HydrophobicContact CE2-CG 4.44Å; Y319-P330 HydrophobicContact CG-CB 4.27Å; Y319-P330 HydrophobicContact CG-CG 3.71Å; Y319-F372 PolarHBondContact N-O 3.48Å; Y319-R373 HydrophobicContact CD1-CG 4.1Å; Y319-Q374 PolarHBondContact O-N 3.15Å; Y319-Q374 VanDerWaalsContact O-N 3.09Å
320S91.2Very high89.2Confident9 Ų943.8 Ų43.86%0.06322%0.224CC..  trans-61.4157-175.677.40000111.7C322 D323 Q324S320-C322 PolarHBondContact O-N 2.98Å; S320-C322 PolarHBondContact OG-N 3.36Å; S320-D323 WeakPolarHBondContact CB-OD2 3.46Å; S320-D323 PolarHBondContact O-N 3.34Å; S320-D323 VanDerWaalsContact O-N 3.15Å; S320-D323 VanDerWaalsContact OG-CG 3.27Å; S320-D323 PolarHBondContact OG-N 2.85Å; S320-D323 PolarHBondContact OG-OD2 2.97Å; S320-Q324 WeakPolarHBondContact O-CG 3.25Å; S320-Q324 PolarHBondContact O-N 3.28Å; S320-Q324 PolarHBondContact O-NE2 3Å
321S86Confident88.9Confident31 Ų3144.5 Ų44.522%0.21722%0.217CC..Hα-helixtrans-55.6-42.517458.50000110.2Q324 M325 Q374S321-Q324 WeakPolarHBondContact O-CB 3.23Å; S321-Q324 PolarHBondContact O-N 3.15Å; S321-M325 VanDerWaalsContact O-CG 3.22Å; S321-M325 WeakPolarHBondContact O-CG 3.42Å; S321-M325 PolarHBondContact O-N 2.92Å; S321-Q374 VanDerWaalsContact CB-OE1 3.23Å; S321-Q374 PolarHBondContact OG-OE1 3.32Å
322C83.4Confident88.7Confident65 Ų6548.5 Ų48.544%0.43924%0.238SC..Hα-helixtrans-60.2-43.9175.5-75.40000113.9S320 M325 S326S320-C322 PolarHBondContact O-N 2.98Å; S320-C322 PolarHBondContact OG-N 3.36Å; C322-M325 PolarHBondContact O-N 3.39Å; C322-S326 PolarHBondContact O-N 2.96Å; C322-S326 PolarHBondContact O-OG 3.13Å
323D85.7Confident88.6Confident13 Ų1347 Ų477%0.0724%0.235CC..Hα-helixtrans-63.2-45.5176.9-71.3-60.6000110.8Y319 S320 M325 S326 G327 E328 R331Y319-D323 HydrophobicContact CD2-CB 3.99Å; Y319-D323 HydrophobicContact CE2-CB 4.23Å; S320-D323 WeakPolarHBondContact CB-OD2 3.46Å; S320-D323 PolarHBondContact O-N 3.34Å; S320-D323 VanDerWaalsContact O-N 3.15Å; S320-D323 VanDerWaalsContact OG-CG 3.27Å; S320-D323 PolarHBondContact OG-N 2.85Å; S320-D323 PolarHBondContact OG-OD2 2.97Å; D323-M325 PolarHBondContact O-N 3.45Å; D323-S326 WeakPolarHBondContact CA-OG 3.35Å; D323-S326 CarbonylContact O-C 3.52Å; D323-S326 PolarHBondContact O-N 3.38Å; D323-S326 VanDerWaalsContact O-N 3.11Å; D323-S326 PolarHBondContact O-OG 3.38Å; D323-G327 PolarHBondContact O-N 2.94Å; D323-E328 HydrophobicContact CB-CB 4.26Å; D323-E328 PolarHBondContact O-N 2.95Å; D323-R331 IonicContact OD1-CZ 3.55Å; D323-R331 IonicContact OD1-NE 3.77Å; D323-R331 PolarHBondContact OD1-NE 3.43Å; D323-R331 IonicContact OD1-NH2 3.56Å; D323-R331 PolarHBondContact OD1-NH2 3.37Å; D323-R331 IonicContact OD2-NE 3.53Å
324Q85.3Confident88.6Confident5 Ų542.7 Ų42.72%0.02321%0.214CC..Hα-helixtrans-58.4-46.6173.8-64.3168.55200111.2V14 K45 Y319 S320 S321 S326 G327 R373 Q374 L376V14-Q324 WeakPolarHBondContact CG1-O 3.33Å; K45-Q324 WeakPolarHBondContact CE-O 3.42Å; Y319-Q324 HydrophobicContact CD1-CG 3.82Å; Y319-Q324 HydrophobicContact CD2-CG 3.6Å; Y319-Q324 HydrophobicContact CE1-CG 3.66Å; Y319-Q324 HydrophobicContact CE2-CB 4.09Å; Y319-Q324 HydrophobicContact CE2-CG 3.4Å; Y319-Q324 VanDerWaalsContact CE2-CG 3.4Å; Y319-Q324 HydrophobicContact CG-CG 3.8Å; Y319-Q324 VanDerWaalsContact CZ-CG 3.45Å; Y319-Q324 PolarHBondContact O-NE2 3.04Å; S320-Q324 WeakPolarHBondContact O-CG 3.25Å; S320-Q324 PolarHBondContact O-N 3.28Å; S320-Q324 PolarHBondContact O-NE2 3Å; S321-Q324 WeakPolarHBondContact O-CB 3.23Å; S321-Q324 PolarHBondContact O-N 3.15Å; Q324-S326 PolarHBondContact O-N 2.91Å; Q324-G327 PolarHBondContact O-N 3.43Å; Q324-R373 VanDerWaalsContact NE2-CG 3.33Å; Q324-Q374 PolarHBondContact NE2-O 3.5Å; Q324-L376 HydrophobicContact CB-CD2 4.23Å
325M72Confident88.6Confident16 Ų1641.8 Ų41.88%0.07921%0.208CC..Hα-helixtrans-59.2-36.5177-63.1-58.1-7400111.7V14 G18 V21 L41 S321 C322 D323 L376V14-M325 VanDerWaalsContact O-O 3.11Å; G18-M325 WeakPolarHBondContact CA-O 3.44Å; V21-M325 HydrophobicContact CB-CE 3.61Å; V21-M325 HydrophobicContact CG1-CE 3.5Å; V21-M325 VanDerWaalsContact CG1-CE 3.5Å; V21-M325 HydrophobicContact CG2-CE 4.39Å; L41-M325 HydrophobicContact CD2-CE 3.26Å; L41-M325 HydrophobicContact CD2-SD 3.28Å; L41-M325 WeakPolarHBondContact CD2-SD 3.19Å; S321-M325 VanDerWaalsContact O-CG 3.22Å; S321-M325 WeakPolarHBondContact O-CG 3.42Å; S321-M325 PolarHBondContact O-N 2.92Å; C322-M325 PolarHBondContact O-N 3.39Å; D323-M325 PolarHBondContact O-N 3.45Å; M325-L376 HydrophobicContact SD-CD2 4.09Å
326S75.7Confident88.7Confident20 Ų2036 Ų3614%0.1418%0.181CC..THydrogen-bonded Turntrans-90.74.8-176.251.80000114.9R15 C322 D323 Q324 E328R15-S326 VanDerWaalsContact CB-O 3.23Å; R15-S326 WeakPolarHBondContact CB-O 3.29Å; R15-S326 WeakPolarHBondContact CG-O 3.06Å; R15-S326 PolarHBondContact NE-O 3.16Å; R15-S326 VanDerWaalsContact NE-O 3.09Å; C322-S326 PolarHBondContact O-N 2.96Å; C322-S326 PolarHBondContact O-OG 3.13Å; D323-S326 WeakPolarHBondContact CA-OG 3.35Å; D323-S326 CarbonylContact O-C 3.52Å; D323-S326 PolarHBondContact O-N 3.38Å; D323-S326 VanDerWaalsContact O-N 3.11Å; D323-S326 PolarHBondContact O-OG 3.38Å; Q324-S326 PolarHBondContact O-N 2.91Å; S326-E328 PolarHBondContact O-N 3.3Å
327G71.2Confident88.7Confident0 Ų039 Ų390%020%0.195CC..THydrogen-bonded Turntrans65.719.4-178.500000113.9R11 D323 Q324R11-G327 WeakPolarHBondContact CB-O 3.45Å; R11-G327 VanDerWaalsContact CD-O 3.3Å; R11-G327 WeakPolarHBondContact CD-O 3.42Å; R11-G327 WeakPolarHBondContact CG-O 3.41Å; D323-G327 PolarHBondContact O-N 2.94Å; Q324-G327 PolarHBondContact O-N 3.43Å
328E78.5Confident88.7Confident68 Ų6836.9 Ų36.932%0.31819%0.185SC..PPolyproline II helixtrans-83.3163-178.9-68-58.4155.200111.8R15 Y319 D323 S326R15-E328 IonicContact CZ-OE1 3.05Å; R15-E328 IonicContact NE-OE1 2.75Å; R15-E328 IonicContact NH2-OE1 3.71Å; R15-E328 PolarHBondContact NH2-OE1 2.73Å; Y319-E328 VanDerWaalsContact CE2-O 3.3Å; Y319-E328 WeakPolarHBondContact CE2-O 3.22Å; D323-E328 HydrophobicContact CB-CB 4.26Å; D323-E328 PolarHBondContact O-N 2.95Å; S326-E328 PolarHBondContact O-N 3.3Å
329R84.8Confident88.7Confident149 Ų14937.7 Ų37.756%0.56219%0.189SC*.PPolyproline II helixtrans-79.1153.2177.8-60.8-174.2-168.4-170.13.1111.3R11R11-R329 VanDerWaalsContact NH1-NH2 3.2Å
330P89.1Confident88.8Confident32 Ų3242.4 Ų42.421%0.20822%0.215CC..PPolyproline II helixtrans-51.3142.9164.8-22.731.5000111.6L317 L318 Y319L317-P330 HydrophobicContact CD1-CB 3.73Å; L317-P330 HydrophobicContact CD2-CB 4.45Å; L317-P330 HydrophobicContact CG-CB 3.87Å; L318-P330 CarbonylContact O-C 3.55Å; L318-P330 WeakPolarHBondContact O-CA 3.31Å; Y319-P330 HydrophobicContact CD1-CG 4.03Å; Y319-P330 HydrophobicContact CD2-CB 4.45Å; Y319-P330 HydrophobicContact CD2-CG 3.93Å; Y319-P330 HydrophobicContact CE2-CG 4.44Å; Y319-P330 HydrophobicContact CG-CB 4.27Å; Y319-P330 HydrophobicContact CG-CG 3.71Å
331R90.9Very high89Confident136 Ų13649.8 Ų49.851%0.51324%0.242SC..EExtended strand (participates in β ladder)trans-115.3135.4-174.9-51.2-176.3-167.2-138.30.4110.3L318 D323 V333L318-R331 PolarHBondContact N-O 3.03Å; L318-R331 PolarHBondContact O-N 3.35Å; D323-R331 IonicContact OD1-CZ 3.55Å; D323-R331 IonicContact OD1-NE 3.77Å; D323-R331 PolarHBondContact OD1-NE 3.43Å; D323-R331 IonicContact OD1-NH2 3.56Å; D323-R331 PolarHBondContact OD1-NH2 3.37Å; D323-R331 IonicContact OD2-NE 3.53Å; R331-V333 HydrophobicContact CB-CG1 4.41Å
332N94.8Very high89.3Confident92 Ų9251.1 Ų51.149%0.49226%0.26SS..EExtended strand (participates in β ladder)trans-79.5122.1167.2-168.237.4000108.8E315 M316E315-N332 PolarHBondContact OE2-ND2 2.97Å; M316-N332 PolarHBondContact N-OD1 3.44Å; M316-N332 WeakPolarHBondContact O-CA 3.36Å; M316-N332 PolarHBondContact O-OD1 2.92Å
333V95.5Very high89.8Confident24 Ų2450.4 Ų50.415%0.14525%0.253CS..EExtended strand (participates in β ladder)trans-143.9157.4179.2-69.30000109.4M316 L318 R331 A338M316-V333 PolarHBondContact N-O 3.49Å; M316-V333 PolarHBondContact O-N 2.91Å; L318-V333 HydrophobicContact CB-CG2 4.26Å; L318-V333 HydrophobicContact CD1-CG2 3.59Å; L318-V333 HydrophobicContact CG-CG2 3.76Å; R331-V333 HydrophobicContact CB-CG1 4.41Å; V333-A338 HydrophobicContact CG2-CB 4.25Å
334T97.9Very high90.2Very high37 Ų3749.8 Ų49.823%0.22725%0.25CC..EExtended strand (participates in β ladder)trans-74.3146.717060.60000110.6T314 E315 G336 E337 A338T314-T334 WeakPolarHBondContact O-CA 3.39Å; E315-T334 HydrophobicContact CG-CG2 4.16Å; T334-G336 PolarHBondContact O-N 3.16Å; T334-E337 PolarHBondContact N-OE2 2.87Å; T334-E337 WeakPolarHBondContact O-CB 3.5Å; T334-E337 PolarHBondContact O-N 3.33Å; T334-E337 VanDerWaalsContact O-N 3.15Å; T334-E337 WeakPolarHBondContact OG1-CB 3.31Å; T334-E337 PolarHBondContact OG1-N 3.16Å; T334-A338 PolarHBondContact O-N 3.43Å
335I98Very high90.6Very high0 Ų052.5 Ų52.50%027%0.274CS..Hα-helixtrans-62.4-30.7177.6-164.760.4000112.2F308 V311 T314 M316 A338 V339 V344 G350 M353 A354F308-I335 HydrophobicContact CE2-CG1 4.24Å; F308-I335 HydrophobicContact CE2-CG2 4.24Å; V311-I335 WeakPolarHBondContact O-CG2 3.44Å; T314-I335 PolarHBondContact O-N 3.33Å; M316-I335 HydrophobicContact SD-CB 4.08Å; M316-I335 HydrophobicContact SD-CD1 4.02Å; M316-I335 HydrophobicContact SD-CG1 4.24Å; I335-A338 HydrophobicContact CD1-CB 4.49Å; I335-A338 PolarHBondContact O-N 2.87Å; I335-V339 WeakPolarHBondContact O-CG2 3.24Å; I335-V339 PolarHBondContact O-N 3.29Å; I335-V344 HydrophobicContact CD1-CG2 4.15Å; I335-G350 WeakPolarHBondContact CG1-O 3.5Å; I335-M353 HydrophobicContact CD1-CB 4.28Å; I335-M353 HydrophobicContact CD1-CE 4.28Å; I335-M353 HydrophobicContact CD1-SD 4.45Å; I335-A354 HydrophobicContact CB-CB 4.46Å; I335-A354 HydrophobicContact CG1-CB 4.37Å; I335-A354 HydrophobicContact CG2-CB 4.06Å
336G97.5Very high91.7Very high1 Ų152.5 Ų52.51%0.0127%0.274CS..Hα-helixtrans-60.2-51.917000000112.9R312 T334 A338 V339 D340R312-G336 WeakPolarHBondContact O-CA 3.25Å; R312-G336 PolarHBondContact O-N 3.12Å; T334-G336 PolarHBondContact O-N 3.16Å; G336-A338 VanDerWaalsContact C-N 3.26Å; G336-A338 PolarHBondContact O-N 2.98Å; G336-V339 PolarHBondContact O-N 3.46Å; G336-D340 WeakPolarHBondContact O-CB 3.5Å; G336-D340 PolarHBondContact O-N 3.44Å; G336-D340 VanDerWaalsContact O-OD1 3.06Å
337E97.2Very high92.7Very high63 Ų6354.3 Ų54.329%0.29428%0.28SS..Hα-helixtrans-60.2-33.8175.8177.2-174.9-17000112.7T334 R341T334-E337 PolarHBondContact N-OE2 2.87Å; T334-E337 WeakPolarHBondContact O-CB 3.5Å; T334-E337 PolarHBondContact O-N 3.33Å; T334-E337 VanDerWaalsContact O-N 3.15Å; T334-E337 WeakPolarHBondContact OG1-CB 3.31Å; T334-E337 PolarHBondContact OG1-N 3.16Å; E337-R341 VanDerWaalsContact CG-CZ 3.47Å; E337-R341 WeakPolarHBondContact O-CB 3.24Å; E337-R341 WeakPolarHBondContact O-CG 3.17Å; E337-R341 PolarHBondContact O-N 3.37Å; E337-R341 IonicContact OE1-CZ 2.73Å; E337-R341 IonicContact OE1-NH1 3.49Å; E337-R341 PolarHBondContact OE1-NH1 2.98Å; E337-R341 IonicContact OE1-NH2 3.38Å; E337-R341 PolarHBondContact OE1-NH2 3Å
338A96.9Very high94Very high3 Ų354.3 Ų54.33%0.02528%0.28CS..Hα-helixtrans-70.5-40.3176.800000112.8L318 V333 T334 I335 G336 G342 V343 V344L318-A338 HydrophobicContact CD1-CB 3.56Å; V333-A338 HydrophobicContact CG2-CB 4.25Å; T334-A338 PolarHBondContact O-N 3.43Å; I335-A338 HydrophobicContact CD1-CB 4.49Å; I335-A338 PolarHBondContact O-N 2.87Å; G336-A338 VanDerWaalsContact C-N 3.26Å; G336-A338 PolarHBondContact O-N 2.98Å; A338-G342 PolarHBondContact O-N 3.48Å; A338-V343 HydrophobicContact CB-CB 4.47Å; A338-V343 WeakPolarHBondContact O-CA 3.23Å; A338-V343 WeakPolarHBondContact O-CB 3.47Å; A338-V343 PolarHBondContact O-N 2.82Å; A338-V344 HydrophobicContact CB-CG2 4.03Å; A338-V344 PolarHBondContact O-N 3.46Å
339V97Very high94.9Very high21 Ų2151 Ų5113%0.12727%0.265CS..Hα-helixtrans-72.7-42.9174.6173.70000111.2F308 I335 G336 R341 G342 V344 Q347F308-V339 HydrophobicContact CE1-CB 4.35Å; F308-V339 HydrophobicContact CE1-CG1 4.42Å; F308-V339 HydrophobicContact CE1-CG2 4.49Å; F308-V339 HydrophobicContact CE2-CG2 4.13Å; F308-V339 HydrophobicContact CZ-CB 3.89Å; F308-V339 HydrophobicContact CZ-CG1 4.34Å; F308-V339 HydrophobicContact CZ-CG2 3.65Å; I335-V339 WeakPolarHBondContact O-CG2 3.24Å; I335-V339 PolarHBondContact O-N 3.29Å; G336-V339 PolarHBondContact O-N 3.46Å; V339-R341 PolarHBondContact O-N 3.04Å; V339-G342 PolarHBondContact O-N 3.44Å; V339-V344 HydrophobicContact CG2-CB 3.91Å; V339-V344 HydrophobicContact CG2-CG1 3.96Å; V339-Q347 HydrophobicContact CG1-CG 4.01Å
340D96.6Very high95.5Very high105 Ų10544 Ų4456%0.56124%0.238SC*.Hα-helixtrans-59.5-30.4178.2-73.915000112.8R312 G336R312-D340 IonicContact CZ-OD1 3.87Å; R312-D340 IonicContact CZ-OD2 3.73Å; R312-D340 IonicContact NH1-OD1 3.91Å; R312-D340 PolarHBondContact NH1-OD1 3.27Å; R312-D340 IonicContact NH1-OD2 2.63Å; R312-D340 VanDerWaalsContact NH2-CG 3.25Å; R312-D340 IonicContact NH2-OD1 2.72Å; R312-D340 PolarHBondContact NH2-OD1 2.88Å; R312-D340 IonicContact NH2-OD2 3.81Å; R312-D340 PolarHBondContact NH2-OD2 3.04Å; G336-D340 WeakPolarHBondContact O-CB 3.5Å; G336-D340 PolarHBondContact O-N 3.44Å; G336-D340 VanDerWaalsContact O-OD1 3.06Å
341R94.9Very high95.9Very high165 Ų16542.6 Ų42.662%0.62323%0.229SC*.THydrogen-bonded Turntrans-89.2-0.8175.8-71.7-177.8-177.6142.513.4114.3E337 V339 V343E337-R341 VanDerWaalsContact CG-CZ 3.47Å; E337-R341 WeakPolarHBondContact O-CB 3.24Å; E337-R341 WeakPolarHBondContact O-CG 3.17Å; E337-R341 PolarHBondContact O-N 3.37Å; E337-R341 IonicContact OE1-CZ 2.73Å; E337-R341 IonicContact OE1-NH1 3.49Å; E337-R341 PolarHBondContact OE1-NH1 2.98Å; E337-R341 IonicContact OE1-NH2 3.38Å; E337-R341 PolarHBondContact OE1-NH2 3Å; V339-R341 PolarHBondContact O-N 3.04Å; R341-V343 HydrophobicContact CB-CG2 4.02Å; R341-V343 PolarHBondContact O-N 3.2Å
342G92.8Very high96.3Very high58 Ų5836.1 Ų36.160%0.59820%0.204SC*.THydrogen-bonded Turntrans6522.5-174.100000114.2A338 V339A338-G342 PolarHBondContact O-N 3.48Å; V339-G342 PolarHBondContact O-N 3.44Å
343V92.8Very high96.4Very high50 Ų5031.7 Ų31.730%0.30318%0.181SC..SBendtrans-73.5-43.7172.6178.50000109.5A338 R341 W388A338-V343 HydrophobicContact CB-CB 4.47Å; A338-V343 WeakPolarHBondContact O-CA 3.23Å; A338-V343 WeakPolarHBondContact O-CB 3.47Å; A338-V343 PolarHBondContact O-N 2.82Å; R341-V343 HydrophobicContact CB-CG2 4.02Å; R341-V343 PolarHBondContact O-N 3.2Å; V343-W388 HydrophobicContact CG1-CH2 3.99Å; V343-W388 HydrophobicContact CG1-CZ2 4.14Å; V343-W388 WeakPolarHBondContact O-CZ2 3.47Å
344V95.2Very high96.6Very high0 Ų030.6 Ų30.60%017%0.174CC..SBendtrans-100.9127.6168.8174.50000107.9L318 I335 A338 V339 N346 L349 M353 W388L318-V344 HydrophobicContact CD1-CG2 4.25Å; I335-V344 HydrophobicContact CD1-CG2 4.15Å; A338-V344 HydrophobicContact CB-CG2 4.03Å; A338-V344 PolarHBondContact O-N 3.46Å; V339-V344 HydrophobicContact CG2-CB 3.91Å; V339-V344 HydrophobicContact CG2-CG1 3.96Å; V344-N346 VanDerWaalsContact C-N 3.32Å; V344-N346 PolarHBondContact O-N 3.44Å; V344-N346 VanDerWaalsContact O-N 3.17Å; V344-L349 HydrophobicContact CG1-CB 4.28Å; V344-L349 HydrophobicContact CG1-CD2 4.12Å; V344-L349 HydrophobicContact CG1-CG 4.07Å; V344-M353 HydrophobicContact CB-SD 4.46Å; V344-M353 HydrophobicContact CG1-SD 3.72Å; V344-M353 HydrophobicContact CG2-CE 3.81Å; V344-M353 HydrophobicContact CG2-SD 3.82Å; V344-W388 HydrophobicContact CG2-CH2 4.45Å; V344-W388 HydrophobicContact CG2-CZ2 3.87Å
345A93.5Very high96.6Very high63 Ų6330.3 Ų30.352%0.52117%0.169SC..SBendtrans-63.8-26-162.900000116.2L349 D386A345-L349 HydrophobicContact CB-CD2 4.37Å; A345-D386 HydrophobicContact CB-CB 4.01Å; A345-D386 PolarHBondContact N-OD2 3.29Å
346N95.1Very high96.6Very high15 Ų1530.3 Ų30.38%0.0817%0.169CC..  trans-161.7167.4-178.961.586000113.1K303 V344 T348 L349 G350 D406K303-N346 HydrophobicContact CB-CB 3.68Å; K303-N346 HydrophobicContact CD-CB 4.2Å; V344-N346 VanDerWaalsContact C-N 3.32Å; V344-N346 PolarHBondContact O-N 3.44Å; V344-N346 VanDerWaalsContact O-N 3.17Å; N346-T348 VanDerWaalsContact C-N 3.34Å; N346-T348 PolarHBondContact O-N 2.8Å; N346-T348 WeakPolarHBondContact OD1-CB 3.34Å; N346-T348 PolarHBondContact OD1-N 3.05Å; N346-T348 VanDerWaalsContact OD1-N 3.13Å; N346-L349 PolarHBondContact OD1-N 2.87Å; N346-G350 PolarHBondContact O-N 3.06Å; N346-D406 PolarHBondContact ND2-OD2 2.93Å
347Q97.5Very high96.7Very high58 Ų5831.2 Ų31.227%0.27117%0.173SC..Hα-helixtrans-68.3-28.5-178.6-65.3-175.9-16.300113.7F308 V339 Y351F308-Q347 HydrophobicContact CB-CB 4.09Å; F308-Q347 HydrophobicContact CD1-CB 3.83Å; F308-Q347 HydrophobicContact CD1-CG 3.55Å; F308-Q347 HydrophobicContact CD2-CB 4.21Å; F308-Q347 VanDerWaalsContact CD2-O 3.32Å; F308-Q347 WeakPolarHBondContact CD2-O 3.2Å; F308-Q347 HydrophobicContact CE1-CB 4.31Å; F308-Q347 HydrophobicContact CE1-CG 3.81Å; F308-Q347 HydrophobicContact CG-CB 3.77Å; F308-Q347 HydrophobicContact CG-CG 4.05Å; V339-Q347 HydrophobicContact CG1-CG 4.01Å; Q347-Y351 VanDerWaalsContact O-CB 3.29Å; Q347-Y351 WeakPolarHBondContact O-CB 3.11Å; Q347-Y351 PolarHBondContact O-N 3.41Å
348T97.3Very high96.7Very high0 Ų030.3 Ų30.30%017%0.17CC..Hα-helixtrans-72.4-45.7179.2-49.40000110.8Y296 K303 R304 H305 N346 Y351 F352 I518Y296-T348 HydrophobicContact CD1-CG2 3.57Å; Y296-T348 HydrophobicContact CE1-CG2 3.69Å; K303-T348 PolarHBondContact O-N 3.3Å; K303-T348 PolarHBondContact O-OG1 3.47Å; R304-T348 PolarHBondContact O-OG1 2.86Å; H305-T348 HydrophobicContact CB-CG2 4.5Å; N346-T348 VanDerWaalsContact C-N 3.34Å; N346-T348 PolarHBondContact O-N 2.8Å; N346-T348 WeakPolarHBondContact OD1-CB 3.34Å; N346-T348 PolarHBondContact OD1-N 3.05Å; N346-T348 VanDerWaalsContact OD1-N 3.13Å; T348-Y351 PolarHBondContact O-N 3.02Å; T348-F352 HydrophobicContact CG2-CD2 4.19Å; T348-F352 HydrophobicContact CG2-CE2 3.99Å; T348-F352 VanDerWaalsContact O-CD2 3.31Å; T348-F352 WeakPolarHBondContact O-CD2 3.5Å; T348-F352 PolarHBondContact O-N 3.11Å; T348-F352 VanDerWaalsContact O-N 3.11Å; T348-I518 HydrophobicContact CG2-CG1 3.8Å
349L96.9Very high96.7Very high0 Ų030.2 Ų30.20%017%0.169CC..Hα-helixtrans-59.5-46170.7-175.162.3000111.2V344 A345 N346 Y351 F352 M353 D386 I518V344-L349 HydrophobicContact CG1-CB 4.28Å; V344-L349 HydrophobicContact CG1-CD2 4.12Å; V344-L349 HydrophobicContact CG1-CG 4.07Å; A345-L349 HydrophobicContact CB-CD2 4.37Å; N346-L349 PolarHBondContact OD1-N 2.87Å; L349-Y351 PolarHBondContact O-N 2.93Å; L349-F352 PolarHBondContact O-N 3.37Å; L349-M353 HydrophobicContact CG-SD 4.21Å; L349-M353 VanDerWaalsContact O-CG 3.28Å; L349-M353 WeakPolarHBondContact O-CG 3.27Å; L349-M353 PolarHBondContact O-N 3.43Å; L349-D386 HydrophobicContact CD2-CB 3.91Å; L349-D386 VanDerWaalsContact CD2-OD2 3.28Å; L349-D386 WeakPolarHBondContact CD2-OD2 3.15Å; L349-I518 HydrophobicContact CD1-CG2 4.06Å
350G97.8Very high96.8Very high0 Ų029.2 Ų29.20%016%0.163CC..Hα-helixtrans-61-40175.500000113.8I335 N346 M353 A354I335-G350 WeakPolarHBondContact CG1-O 3.5Å; N346-G350 PolarHBondContact O-N 3.06Å; G350-M353 PolarHBondContact O-N 2.98Å; G350-A354 PolarHBondContact O-N 3.37Å
351Y98.5Very high96.7Very high3 Ų327.3 Ų27.31%0.01215%0.152CC..Hα-helixtrans-59.6-52.7175.5177.4-101.7000111D116 H305 K307 V311 Q347 T348 L349 M353 A354 R355D116-Y351 VanDerWaalsContact OD1-CE1 3.29Å; D116-Y351 WeakPolarHBondContact OD1-CE1 3.13Å; D116-Y351 PolarHBondContact OD1-OH 2.81Å; H305-Y351 AromaticContact CE1-CD1 3.24Å; H305-Y351 WeakPolarHBondContact CE1-CD1 3.12Å; H305-Y351 AromaticContact CE1-CD2 3.93Å; H305-Y351 AromaticContact CE1-CE1 3.21Å; H305-Y351 WeakPolarHBondContact CE1-CE1 3.4Å; H305-Y351 AromaticContact CE1-CE2 3.92Å; H305-Y351 AromaticContact CE1-CG 3.61Å; H305-Y351 AromaticContact CE1-CZ 3.57Å; H305-Y351 AromaticContact CG-CD1 3.99Å; H305-Y351 AromaticContact CG-CG 3.87Å; H305-Y351 AromaticContact ND1-CD1 3.36Å; H305-Y351 WeakPolarHBondContact ND1-CD1 3.05Å; H305-Y351 AromaticContact ND1-CD2 3.47Å; H305-Y351 WeakPolarHBondContact ND1-CD2 3.33Å; H305-Y351 AromaticContact ND1-CE1 3.74Å; H305-Y351 AromaticContact ND1-CE2 3.86Å; H305-Y351 AromaticContact ND1-CG 3.2Å; H305-Y351 AromaticContact ND1-CZ 3.97Å; H305-Y351 AromaticContact NE2-CD1 3.83Å; H305-Y351 AromaticContact NE2-CE1 3.93Å; K307-Y351 HydrophobicContact CB-CD2 4.11Å; K307-Y351 HydrophobicContact CB-CE2 3.41Å; K307-Y351 VanDerWaalsContact CB-CE2 3.41Å; K307-Y351 WeakPolarHBondContact O-CD2 3.49Å; K307-Y351 WeakPolarHBondContact O-CE2 3.37Å; V311-Y351 HydrophobicContact CG1-CD2 4.33Å; V311-Y351 HydrophobicContact CG1-CE2 4.1Å; V311-Y351 HydrophobicContact CG2-CD2 3.6Å; V311-Y351 HydrophobicContact CG2-CE2 4.21Å; Q347-Y351 VanDerWaalsContact O-CB 3.29Å; Q347-Y351 WeakPolarHBondContact O-CB 3.11Å; Q347-Y351 PolarHBondContact O-N 3.41Å; T348-Y351 PolarHBondContact O-N 3.02Å; L349-Y351 PolarHBondContact O-N 2.93Å; Y351-M353 PolarHBondContact O-N 3.21Å; Y351-A354 PolarHBondContact O-N 2.77Å; Y351-R355 HydrophobicContact CD1-CG 4.01Å; Y351-R355 HydrophobicContact CD2-CG 4.3Å; Y351-R355 HydrophobicContact CE1-CG 3.55Å; Y351-R355 HydrophobicContact CE2-CG 3.86Å; Y351-R355 HydrophobicContact CG-CG 4.37Å; Y351-R355 VanDerWaalsContact CZ-CG 3.47Å; Y351-R355 WeakPolarHBondContact O-CG 3.28Å; Y351-R355 PolarHBondContact O-N 3.23Å
352F98.4Very high96.6Very high0 Ų023.9 Ų23.90%014%0.143CC..Hα-helixtrans-65.3-39-180-75.7-64.7000112.6Y296 T348 L349 A354 R355 I356 I518 P520Y296-F352 AromaticContact CD1-CE2 3.94Å; Y296-F352 HydrophobicContact CD1-CE2 3.94Å; Y296-F352 AromaticContact CD2-CE2 3.75Å; Y296-F352 HydrophobicContact CD2-CE2 3.75Å; Y296-F352 AromaticContact CD2-CZ 3.5Å; Y296-F352 HydrophobicContact CD2-CZ 3.5Å; Y296-F352 HydrophobicContact CE1-CE2 4.5Å; Y296-F352 HydrophobicContact CE2-CE2 4.34Å; Y296-F352 HydrophobicContact CE2-CZ 4.05Å; Y296-F352 AromaticContact CG-CE2 3.51Å; Y296-F352 HydrophobicContact CG-CE2 3.51Å; Y296-F352 AromaticContact CG-CZ 3.77Å; Y296-F352 HydrophobicContact CG-CZ 3.77Å; T348-F352 HydrophobicContact CG2-CD2 4.19Å; T348-F352 HydrophobicContact CG2-CE2 3.99Å; T348-F352 VanDerWaalsContact O-CD2 3.31Å; T348-F352 WeakPolarHBondContact O-CD2 3.5Å; T348-F352 PolarHBondContact O-N 3.11Å; T348-F352 VanDerWaalsContact O-N 3.11Å; L349-F352 PolarHBondContact O-N 3.37Å; F352-A354 VanDerWaalsContact C-N 3.32Å; F352-A354 PolarHBondContact O-N 3.27Å; F352-R355 PolarHBondContact O-N 2.83Å; F352-I356 WeakPolarHBondContact O-CB 3.46Å; F352-I356 WeakPolarHBondContact O-CD1 3.11Å; F352-I356 WeakPolarHBondContact O-CG1 3.39Å; F352-I356 PolarHBondContact O-N 3.08Å; F352-I518 HydrophobicContact CD2-CB 4.49Å; F352-I518 HydrophobicContact CD2-CG2 4.04Å; F352-P520 HydrophobicContact CB-CG 3.77Å; F352-P520 HydrophobicContact CD1-CG 3.76Å; F352-P520 HydrophobicContact CD2-CG 4.35Å; F352-P520 HydrophobicContact CG-CG 3.68Å
353M98.4Very high96.7Very high0 Ų021.1 Ų21.10%011%0.114CC..Hα-helixtrans-54.5-47.1171.7-73.2173.16800112M316 L318 I335 V344 L349 G350 Y351 I356 H357 F372 W388M316-M353 HydrophobicContact CE-CB 4.04Å; M316-M353 WeakPolarHBondContact CE-O 3.33Å; L318-M353 HydrophobicContact CD2-CE 3.91Å; I335-M353 HydrophobicContact CD1-CB 4.28Å; I335-M353 HydrophobicContact CD1-CE 4.28Å; I335-M353 HydrophobicContact CD1-SD 4.45Å; V344-M353 HydrophobicContact CB-SD 4.46Å; V344-M353 HydrophobicContact CG1-SD 3.72Å; V344-M353 HydrophobicContact CG2-CE 3.81Å; V344-M353 HydrophobicContact CG2-SD 3.82Å; L349-M353 HydrophobicContact CG-SD 4.21Å; L349-M353 VanDerWaalsContact O-CG 3.28Å; L349-M353 WeakPolarHBondContact O-CG 3.27Å; L349-M353 PolarHBondContact O-N 3.43Å; G350-M353 PolarHBondContact O-N 2.98Å; Y351-M353 PolarHBondContact O-N 3.21Å; M353-I356 PolarHBondContact O-N 3.08Å; M353-H357 WeakPolarHBondContact O-CB 3.45Å; M353-H357 PolarHBondContact O-N 3.41Å; M353-F372 HydrophobicContact CB-CD1 4.35Å; M353-F372 HydrophobicContact CB-CE1 4.17Å; M353-F372 HydrophobicContact CE-CB 4.18Å; M353-F372 HydrophobicContact CE-CD1 4.06Å; M353-F372 HydrophobicContact CE-CG 4.38Å; M353-F372 HydrophobicContact CG-CD1 4.24Å; M353-F372 HydrophobicContact CG-CE1 4.35Å; M353-F372 WeakPolarHBondContact O-CZ 3.33Å; M353-W388 HydrophobicContact CE-CB 3.94Å; M353-W388 HydrophobicContact CE-CD2 3.5Å; M353-W388 HydrophobicContact CE-CE3 3.66Å; M353-W388 HydrophobicContact CE-CG 3.64Å; M353-W388 HydrophobicContact CE-CZ3 4.33Å; M353-W388 HydrophobicContact CG-CB 4.38Å; M353-W388 HydrophobicContact SD-CB 4Å; M353-W388 HydrophobicContact SD-CD2 4.1Å; M353-W388 HydrophobicContact SD-CG 3.71Å
354A98.3Very high96.7Very high0 Ų020.1 Ų20.10%011%0.114CC..Hα-helixtrans-69.5-39.1178.800000112.9V311 T314 M316 I335 G350 Y351 F352 H357 L358V311-A354 HydrophobicContact CB-CB 3.78Å; V311-A354 HydrophobicContact CG1-CB 4.48Å; V311-A354 HydrophobicContact CG2-CB 3.83Å; T314-A354 HydrophobicContact CG2-CB 4.43Å; M316-A354 HydrophobicContact SD-CB 4.11Å; I335-A354 HydrophobicContact CB-CB 4.46Å; I335-A354 HydrophobicContact CG1-CB 4.37Å; I335-A354 HydrophobicContact CG2-CB 4.06Å; G350-A354 PolarHBondContact O-N 3.37Å; Y351-A354 PolarHBondContact O-N 2.77Å; F352-A354 VanDerWaalsContact C-N 3.32Å; F352-A354 PolarHBondContact O-N 3.27Å; A354-H357 WeakPolarHBondContact O-CB 3.18Å; A354-H357 PolarHBondContact O-N 3Å; A354-L358 WeakPolarHBondContact O-CB 3.47Å; A354-L358 VanDerWaalsContact O-CG 3.29Å; A354-L358 WeakPolarHBondContact O-CG 3.27Å; A354-L358 PolarHBondContact O-N 3.15Å
355R98.3Very high96.8Very high31 Ų3120.4 Ų20.412%0.11712%0.116CC..Hα-helixtrans-61.9-43.3172.6-67.1-63-66.5175.73.2111.5F111 F112 Y351 F352 H357 L358 F359F111-R355 HydrophobicContact CE1-CB 4.11Å; F111-R355 VanDerWaalsContact CE1-NH2 3.31Å; F111-R355 WeakPolarHBondContact CE1-O 3.43Å; F111-R355 PolarHBondContact O-NH2 2.76Å; F112-R355 HydrophobicContact CE1-CB 3.71Å; F112-R355 HydrophobicContact CZ-CB 4.42Å; Y351-R355 HydrophobicContact CD1-CG 4.01Å; Y351-R355 HydrophobicContact CD2-CG 4.3Å; Y351-R355 HydrophobicContact CE1-CG 3.55Å; Y351-R355 HydrophobicContact CE2-CG 3.86Å; Y351-R355 HydrophobicContact CG-CG 4.37Å; Y351-R355 VanDerWaalsContact CZ-CG 3.47Å; Y351-R355 WeakPolarHBondContact O-CG 3.28Å; Y351-R355 PolarHBondContact O-N 3.23Å; F352-R355 PolarHBondContact O-N 2.83Å; R355-H357 PolarHBondContact O-N 3.18Å; R355-L358 PolarHBondContact O-N 2.98Å; R355-F359 VanDerWaalsContact O-CB 3.3Å; R355-F359 WeakPolarHBondContact O-CB 3.28Å; R355-F359 PolarHBondContact O-N 3.04Å
356I98.6Very high96.8Very high1 Ų119.9 Ų19.91%0.00510%0.104CC..Hα-helixtrans-59.1-46.6174.1-65.7158.8000110.4F352 M353 F359 L360 F372 A390 V402 C404 P520 F522F352-I356 WeakPolarHBondContact O-CB 3.46Å; F352-I356 WeakPolarHBondContact O-CD1 3.11Å; F352-I356 WeakPolarHBondContact O-CG1 3.39Å; F352-I356 PolarHBondContact O-N 3.08Å; M353-I356 PolarHBondContact O-N 3.08Å; I356-F359 PolarHBondContact O-N 3.1Å; I356-L360 HydrophobicContact CG2-CD1 3.8Å; I356-L360 HydrophobicContact CG2-CG 4.24Å; I356-L360 WeakPolarHBondContact O-CB 3.5Å; I356-L360 VanDerWaalsContact O-CG 3.27Å; I356-L360 WeakPolarHBondContact O-CG 3.36Å; I356-L360 PolarHBondContact O-N 3.09Å; I356-F372 HydrophobicContact CB-CE1 4.23Å; I356-F372 HydrophobicContact CB-CZ 4.04Å; I356-F372 HydrophobicContact CG2-CE1 4.08Å; I356-F372 HydrophobicContact CG2-CZ 3.79Å; I356-A390 HydrophobicContact CG2-CB 3.89Å; I356-V402 HydrophobicContact CD1-CG1 3.88Å; I356-V402 HydrophobicContact CG1-CG1 4.13Å; I356-V402 HydrophobicContact CG2-CB 3.95Å; I356-V402 HydrophobicContact CG2-CG1 4.02Å; I356-V402 HydrophobicContact CG2-CG2 3.93Å; I356-C404 HydrophobicContact CD1-CB 3.86Å; I356-P520 HydrophobicContact CD1-CB 4.2Å; I356-F522 HydrophobicContact CG1-CE1 4.1Å; I356-F522 HydrophobicContact CG1-CZ 3.71Å; I356-F522 HydrophobicContact CG2-CE1 4.42Å
357H98.3Very high96.7Very high20 Ų2021.5 Ų21.59%0.09312%0.12CC..Hα-helixtrans-58.6-51.2178.5177.290.1000112.1E315 M316 M353 A354 R355 F359 L360 I361 F372E315-H357 PolarHBondContact O-NE2 3.4Å; M316-H357 HydrophobicContact CE-CB 3.85Å; M316-H357 HydrophobicContact CG-CB 4.36Å; M316-H357 HydrophobicContact SD-CB 4.14Å; M353-H357 WeakPolarHBondContact O-CB 3.45Å; M353-H357 PolarHBondContact O-N 3.41Å; A354-H357 WeakPolarHBondContact O-CB 3.18Å; A354-H357 PolarHBondContact O-N 3Å; R355-H357 PolarHBondContact O-N 3.18Å; H357-F359 PolarHBondContact O-N 2.91Å; H357-L360 PolarHBondContact O-N 2.9Å; H357-I361 VanDerWaalsContact NE2-CD1 3.26Å; H357-I361 WeakPolarHBondContact NE2-CD1 3.48Å; H357-I361 WeakPolarHBondContact O-CG1 3.49Å; H357-I361 PolarHBondContact O-N 2.69Å; H357-I361 VanDerWaalsContact O-N 3.13Å; H357-F372 HydrophobicContact CB-CE2 3.78Å; H357-F372 HydrophobicContact CB-CZ 3.92Å
358L97.6Very high96.4Very high43 Ų4325 Ų2523%0.22513%0.134CC..Hα-helixtrans-62.1-41178.5-69.2168.5000111.9F111 V311 T314 A354 R355 H362F111-L358 HydrophobicContact CZ-CB 3.74Å; V311-L358 HydrophobicContact CG1-CD1 4.18Å; T314-L358 HydrophobicContact CG2-CD2 4.33Å; T314-L358 HydrophobicContact CG2-CG 4.32Å; A354-L358 WeakPolarHBondContact O-CB 3.47Å; A354-L358 VanDerWaalsContact O-CG 3.29Å; A354-L358 WeakPolarHBondContact O-CG 3.27Å; A354-L358 PolarHBondContact O-N 3.15Å; R355-L358 PolarHBondContact O-N 2.98Å; L358-H362 VanDerWaalsContact O-CB 3.3Å; L358-H362 WeakPolarHBondContact O-CB 3.32Å; L358-H362 PolarHBondContact O-N 2.58Å
359F97.9Very high96.2Very high1 Ų127.6 Ų27.60%0.00414%0.144CC..Hα-helixtrans-62-49.6175.8176.2-109.7000112.3L104 A107 W108 F111 F112 R355 I356 H357 I361 H362 I363 F522L104-F359 HydrophobicContact CD1-CE1 4.37Å; L104-F359 HydrophobicContact CD1-CZ 3.82Å; A107-F359 HydrophobicContact CB-CE2 4.37Å; W108-F359 HydrophobicContact CB-CE2 4.11Å; W108-F359 HydrophobicContact CB-CZ 3.78Å; W108-F359 AromaticContact CD1-CE1 3.65Å; W108-F359 AromaticContact CD1-CZ 3.64Å; W108-F359 HydrophobicContact CG-CZ 4.12Å; F111-F359 HydrophobicContact CB-CD2 3.7Å; F111-F359 HydrophobicContact CB-CE2 4.17Å; F111-F359 HydrophobicContact CD1-CB 3.74Å; F111-F359 HydrophobicContact CD1-CD2 4.06Å; F111-F359 HydrophobicContact CD1-CG 4.26Å; F111-F359 HydrophobicContact CD2-CB 4.37Å; F111-F359 AromaticContact CD2-CD2 3.99Å; F111-F359 HydrophobicContact CD2-CD2 3.99Å; F111-F359 HydrophobicContact CE1-CB 3.72Å; F111-F359 HydrophobicContact CE2-CB 4.35Å; F111-F359 HydrophobicContact CG-CB 4.09Å; F111-F359 AromaticContact CG-CD2 3.63Å; F111-F359 HydrophobicContact CG-CD2 3.63Å; F111-F359 HydrophobicContact CG-CG 4.28Å; F111-F359 HydrophobicContact CZ-CB 4.05Å; F112-F359 HydrophobicContact CE2-CB 3.87Å; F112-F359 AromaticContact CE2-CD1 3.9Å; F112-F359 HydrophobicContact CE2-CD1 3.9Å; F112-F359 AromaticContact CE2-CD2 3.93Å; F112-F359 HydrophobicContact CE2-CD2 3.93Å; F112-F359 HydrophobicContact CE2-CE1 4.43Å; F112-F359 HydrophobicContact CE2-CE2 4.46Å; F112-F359 AromaticContact CE2-CG 3.61Å; F112-F359 HydrophobicContact CE2-CG 3.61Å; F112-F359 HydrophobicContact CZ-CB 3.81Å; F112-F359 HydrophobicContact CZ-CD1 4.4Å; F112-F359 HydrophobicContact CZ-CG 4.07Å; R355-F359 VanDerWaalsContact O-CB 3.3Å; R355-F359 WeakPolarHBondContact O-CB 3.28Å; R355-F359 PolarHBondContact O-N 3.04Å; I356-F359 PolarHBondContact O-N 3.1Å; H357-F359 PolarHBondContact O-N 2.91Å; F359-I361 VanDerWaalsContact C-N 3.3Å; F359-I361 PolarHBondContact O-N 2.83Å; F359-H362 PolarHBondContact O-N 2.71Å; F359-I363 HydrophobicContact CD1-CD1 4.18Å; F359-I363 HydrophobicContact CD2-CG2 4.07Å; F359-I363 HydrophobicContact CE1-CD1 3.71Å; F359-I363 HydrophobicContact CE1-CG2 4.33Å; F359-I363 HydrophobicContact CE2-CG2 3.59Å; F359-I363 HydrophobicContact CZ-CD1 4.06Å; F359-I363 HydrophobicContact CZ-CG2 3.74Å; F359-I363 WeakPolarHBondContact O-CG1 3.39Å; F359-I363 PolarHBondContact O-N 2.86Å; F359-F522 HydrophobicContact CD1-CD1 4.46Å; F359-F522 AromaticContact CD1-CE1 3.98Å; F359-F522 HydrophobicContact CD1-CE1 3.98Å; F359-F522 HydrophobicContact CE1-CD1 4.39Å; F359-F522 HydrophobicContact CE1-CE1 4.3Å
360L97.9Very high96.2Very high0 Ų027.8 Ų27.80%015%0.145CC..Hα-helixtrans-60.8-40.1-178.9-70.6175.6000111.3I356 H357 I363 G364 V365 L370 A390 V402 I527I356-L360 HydrophobicContact CG2-CD1 3.8Å; I356-L360 HydrophobicContact CG2-CG 4.24Å; I356-L360 WeakPolarHBondContact O-CB 3.5Å; I356-L360 VanDerWaalsContact O-CG 3.27Å; I356-L360 WeakPolarHBondContact O-CG 3.36Å; I356-L360 PolarHBondContact O-N 3.09Å; H357-L360 PolarHBondContact O-N 2.9Å; L360-I363 HydrophobicContact CD2-CD1 4.09Å; L360-I363 VanDerWaalsContact O-CG1 3.26Å; L360-I363 WeakPolarHBondContact O-CG1 3.45Å; L360-G364 PolarHBondContact O-N 2.91Å; L360-V365 HydrophobicContact CB-CB 4.21Å; L360-V365 HydrophobicContact CB-CG2 4.05Å; L360-V365 HydrophobicContact CD2-CG2 4.25Å; L360-V365 WeakPolarHBondContact O-CB 3.32Å; L360-V365 WeakPolarHBondContact O-CG2 3.28Å; L360-V365 PolarHBondContact O-N 2.84Å; L360-L370 HydrophobicContact CB-CD2 4.05Å; L360-L370 HydrophobicContact CD1-CD1 3.76Å; L360-L370 HydrophobicContact CD1-CD2 4.24Å; L360-A390 HydrophobicContact CD1-CB 3.91Å; L360-V402 HydrophobicContact CD1-CG2 4.33Å; L360-V402 HydrophobicContact CD2-CG2 4.34Å; L360-I527 HydrophobicContact CD2-CD1 4.43Å; L360-I527 HydrophobicContact CD2-CG1 4.35Å; L360-I527 HydrophobicContact CD2-CG2 4.42Å
361I95.8Very high96.2Very high65 Ų6528.1 Ų28.133%0.33315%0.146SC..Hα-helixtrans-65.3-47.9173.4-68.4175.2000111.1H357 F359 I363 G364 A367 L370H357-I361 VanDerWaalsContact NE2-CD1 3.26Å; H357-I361 WeakPolarHBondContact NE2-CD1 3.48Å; H357-I361 WeakPolarHBondContact O-CG1 3.49Å; H357-I361 PolarHBondContact O-N 2.69Å; H357-I361 VanDerWaalsContact O-N 3.13Å; F359-I361 VanDerWaalsContact C-N 3.3Å; F359-I361 PolarHBondContact O-N 2.83Å; I361-I363 VanDerWaalsContact C-N 3.3Å; I361-I363 PolarHBondContact O-N 2.86Å; I361-G364 WeakPolarHBondContact O-CA 3.43Å; I361-G364 PolarHBondContact O-N 2.86Å; I361-A367 HydrophobicContact CD1-CB 3.67Å; I361-A367 HydrophobicContact CG1-CB 4.04Å; I361-L370 HydrophobicContact CG1-CD2 4.42Å
362H93Very high96.2Very high93 Ų9328 Ų2843%0.43115%0.146SC..Hα-helixtrans-57.4-38.8-178.8174.786.9000113.3L358 F359 G364 S551L358-H362 VanDerWaalsContact O-CB 3.3Å; L358-H362 WeakPolarHBondContact O-CB 3.32Å; L358-H362 PolarHBondContact O-N 2.58Å; F359-H362 PolarHBondContact O-N 2.71Å; H362-G364 VanDerWaalsContact C-N 3.31Å; H362-S551 PolarHBondContact O-OG 2.89Å
363I94.3Very high96Very high0 Ų029.6 Ų29.60%015%0.152CC..Hα-helixtrans-78.7-11.9177.268.6-179.1000113.9L104 F359 L360 I361 I527 I531 L554L104-I363 HydrophobicContact CD1-CB 4.37Å; L104-I363 HydrophobicContact CD1-CD1 3.69Å; L104-I363 HydrophobicContact CD1-CG2 4.03Å; F359-I363 HydrophobicContact CD1-CD1 4.18Å; F359-I363 HydrophobicContact CD2-CG2 4.07Å; F359-I363 HydrophobicContact CE1-CD1 3.71Å; F359-I363 HydrophobicContact CE1-CG2 4.33Å; F359-I363 HydrophobicContact CE2-CG2 3.59Å; F359-I363 HydrophobicContact CZ-CD1 4.06Å; F359-I363 HydrophobicContact CZ-CG2 3.74Å; F359-I363 WeakPolarHBondContact O-CG1 3.39Å; F359-I363 PolarHBondContact O-N 2.86Å; L360-I363 HydrophobicContact CD2-CD1 4.09Å; L360-I363 VanDerWaalsContact O-CG1 3.26Å; L360-I363 WeakPolarHBondContact O-CG1 3.45Å; I361-I363 VanDerWaalsContact C-N 3.3Å; I361-I363 PolarHBondContact O-N 2.86Å; I363-I527 HydrophobicContact CD1-CG2 3.53Å; I363-I531 HydrophobicContact CD1-CD1 3.98Å; I363-I531 HydrophobicContact CG1-CD1 4.16Å; I363-L554 HydrophobicContact CB-CD1 3.96Å; I363-L554 HydrophobicContact CB-CD2 4.42Å; I363-L554 HydrophobicContact CB-CG 4.2Å; I363-L554 HydrophobicContact CG2-CD2 4.32Å; I363-L554 WeakPolarHBondContact O-CD1 3.46Å
364G93.3Very high95.8Very high30 Ų3030.7 Ų30.731%0.30916%0.157SC..THydrogen-bonded Turntrans112.624171.700000116.8L360 I361 H362L360-G364 PolarHBondContact O-N 2.91Å; I361-G364 WeakPolarHBondContact O-CA 3.43Å; I361-G364 PolarHBondContact O-N 2.86Å; H362-G364 VanDerWaalsContact C-N 3.31Å
365V96.1Very high95.3Very high6 Ų632 Ų324%0.03616%0.163CC..  trans-75132.4166.8-179.60000109.4L360 A367 L370 T530 I531 H534L360-V365 HydrophobicContact CB-CB 4.21Å; L360-V365 HydrophobicContact CB-CG2 4.05Å; L360-V365 HydrophobicContact CD2-CG2 4.25Å; L360-V365 WeakPolarHBondContact O-CB 3.32Å; L360-V365 WeakPolarHBondContact O-CG2 3.28Å; L360-V365 PolarHBondContact O-N 2.84Å; V365-A367 PolarHBondContact O-N 3.32Å; V365-L370 HydrophobicContact CG1-CB 4.28Å; V365-T530 HydrophobicContact CG1-CG2 4.2Å; V365-T530 HydrophobicContact CG2-CG2 4.13Å; V365-I531 HydrophobicContact CG2-CG1 4.5Å; V365-H534 WeakPolarHBondContact CG1-CE1 3.11Å
366D93.4Very high94.5Very high51 Ų5130.7 Ų30.727%0.27316%0.158SC..  trans-65.4114.8174.5176.62.8000109.7K368 R369 L370 H534D366-K368 PolarHBondContact O-N 3.04Å; D366-K368 VanDerWaalsContact O-N 3.09Å; D366-K368 WeakPolarHBondContact OD1-CB 3.13Å; D366-K368 PolarHBondContact OD1-N 3Å; D366-R369 HydrophobicContact CB-CB 4.18Å; D366-R369 HydrophobicContact CB-CG 4.18Å; D366-R369 CarbonylContact O-C 3.5Å; D366-R369 WeakPolarHBondContact O-CA 3.22Å; D366-R369 PolarHBondContact O-N 3.08Å; D366-R369 WeakPolarHBondContact OD2-CG 3.43Å; D366-R369 IonicContact OD2-NE 3.14Å; D366-R369 PolarHBondContact OD2-NE 2.86Å; D366-R369 VanDerWaalsContact OD2-NE 3.11Å; D366-L370 PolarHBondContact O-N 2.8Å; D366-H534 PolarHBondContact N-ND1 2.69Å; D366-H534 VanDerWaalsContact N-ND1 3.15Å
367A92.9Very high93.4Very high49 Ų4934.3 Ų34.341%0.40518%0.184SC..G310 helixtrans-56.6-25.7179.900000113.4I361 V365 R369I361-A367 HydrophobicContact CD1-CB 3.67Å; I361-A367 HydrophobicContact CG1-CB 4.04Å; V365-A367 PolarHBondContact O-N 3.32Å; A367-R369 VanDerWaalsContact C-N 3.26Å; A367-R369 PolarHBondContact O-N 3.13Å
368K91.8Very high91.9Very high131 Ų13135.9 Ų35.957%0.5719%0.193SC*.G310 helixtrans-73.8-18.8175.2-58.2180-179.8-172.70113.1D366 Y1144D366-K368 PolarHBondContact O-N 3.04Å; D366-K368 VanDerWaalsContact O-N 3.09Å; D366-K368 WeakPolarHBondContact OD1-CB 3.13Å; D366-K368 PolarHBondContact OD1-N 3Å; K368-Y1144 PolarHBondContact NZ-OH 3.05Å
369R93.7Very high90.5Very high56 Ų5636.6 Ų36.621%0.21120%0.195CC..G310 helixtrans-11021.5-179-60.7-177.8-160.4-144.9-0.5111.4D59 D366 A367 C392 Q393 H534D59-R369 IonicContact OD2-CZ 3.87Å; D59-R369 IonicContact OD2-NH1 2.84Å; D59-R369 IonicContact OD2-NH2 2.65Å; D59-R369 PolarHBondContact OD2-NH2 2.81Å; D366-R369 HydrophobicContact CB-CB 4.18Å; D366-R369 HydrophobicContact CB-CG 4.18Å; D366-R369 CarbonylContact O-C 3.5Å; D366-R369 WeakPolarHBondContact O-CA 3.22Å; D366-R369 PolarHBondContact O-N 3.08Å; D366-R369 WeakPolarHBondContact OD2-CG 3.43Å; D366-R369 IonicContact OD2-NE 3.14Å; D366-R369 PolarHBondContact OD2-NE 2.86Å; D366-R369 VanDerWaalsContact OD2-NE 3.11Å; A367-R369 VanDerWaalsContact C-N 3.26Å; A367-R369 PolarHBondContact O-N 3.13Å; R369-C392 CarbonylContact O-C 3.57Å; R369-C392 VanDerWaalsContact O-CA 3.28Å; R369-C392 WeakPolarHBondContact O-CA 3.3Å; R369-Q393 HydrophobicContact CB-CB 3.96Å; R369-Q393 HydrophobicContact CG-CB 4.4Å; R369-Q393 PolarHBondContact O-N 2.83Å; R369-H534 WeakPolarHBondContact CB-CE1 3.45Å; R369-H534 PolarHBondContact O-CE1 3.41Å
370L96.8Very high89.3Confident3 Ų338.4 Ų38.42%0.01620%0.204CC..EExtended strand (participates in β ladder)trans-123.3127.4178.3176.259.7000109.7L360 I361 V365 D366 F372 A390L360-L370 HydrophobicContact CB-CD2 4.05Å; L360-L370 HydrophobicContact CD1-CD1 3.76Å; L360-L370 HydrophobicContact CD1-CD2 4.24Å; I361-L370 HydrophobicContact CG1-CD2 4.42Å; V365-L370 HydrophobicContact CG1-CB 4.28Å; D366-L370 PolarHBondContact O-N 2.8Å; L370-F372 HydrophobicContact CD1-CE2 4.35Å; L370-F372 HydrophobicContact CG-CE2 4.4Å; L370-A390 HydrophobicContact CD1-CB 4.44Å
371R96.6Very high87.8Confident8 Ų839.9 Ų39.93%0.0322%0.216CC..EExtended strand (participates in β ladder)trans-134.8158.6171.976.4-175.3-174-177.51.4110.6D49 L317 E391 W398D49-R371 IonicContact OD1-NH1 3.11Å; D49-R371 IonicContact OD1-NH2 3.83Å; L317-R371 HydrophobicContact CB-CB 4.44Å; L317-R371 HydrophobicContact CD2-CB 4.03Å; L317-R371 HydrophobicContact CG-CB 4.13Å; L317-R371 CarbonylContact O-C 3.52Å; L317-R371 WeakPolarHBondContact O-CA 3.04Å; R371-E391 HydrophobicContact CG-CB 3.99Å; R371-E391 IonicContact CZ-OE2 3.78Å; R371-E391 PolarHBondContact N-O 2.95Å; R371-E391 IonicContact NE-OE2 3.03Å; R371-E391 PolarHBondContact NE-OE2 2.9Å; R371-E391 IonicContact NH2-OE2 2.79Å; R371-E391 PolarHBondContact NH2-OE2 3.31Å; R371-E391 PolarHBondContact O-N 2.89Å; R371-W398 HydrophobicContact CB-CH2 4.13Å; R371-W398 HydrophobicContact CB-CZ3 3.91Å; R371-W398 HydrophobicContact CG-CD2 4.28Å; R371-W398 HydrophobicContact CG-CE3 3.69Å; R371-W398 HydrophobicContact CG-CH2 4.04Å; R371-W398 HydrophobicContact CG-CZ3 3.55Å
372F98.1Very high86.3Confident0 Ų040.9 Ų40.90%022%0.219CC..EExtended strand (participates in β ladder)trans-110.5115.7170.4-78.1-108.6000109.2M316 L317 L318 Y319 M353 I356 H357 L370 W388 D389 A390M316-F372 HydrophobicContact CE-CD1 3.98Å; M316-F372 HydrophobicContact CE-CD2 3.4Å; M316-F372 VanDerWaalsContact CE-CD2 3.4Å; M316-F372 HydrophobicContact CE-CE1 3.96Å; M316-F372 HydrophobicContact CE-CE2 3.42Å; M316-F372 VanDerWaalsContact CE-CE2 3.42Å; M316-F372 HydrophobicContact CE-CG 3.7Å; M316-F372 HydrophobicContact CE-CZ 3.69Å; L317-F372 PolarHBondContact O-N 3.3Å; L318-F372 HydrophobicContact CD2-CB 3.74Å; L318-F372 HydrophobicContact CD2-CG 4.47Å; Y319-F372 PolarHBondContact N-O 3.48Å; M353-F372 HydrophobicContact CB-CD1 4.35Å; M353-F372 HydrophobicContact CB-CE1 4.17Å; M353-F372 HydrophobicContact CE-CB 4.18Å; M353-F372 HydrophobicContact CE-CD1 4.06Å; M353-F372 HydrophobicContact CE-CG 4.38Å; M353-F372 HydrophobicContact CG-CD1 4.24Å; M353-F372 HydrophobicContact CG-CE1 4.35Å; M353-F372 WeakPolarHBondContact O-CZ 3.33Å; I356-F372 HydrophobicContact CB-CE1 4.23Å; I356-F372 HydrophobicContact CB-CZ 4.04Å; I356-F372 HydrophobicContact CG2-CE1 4.08Å; I356-F372 HydrophobicContact CG2-CZ 3.79Å; H357-F372 HydrophobicContact CB-CE2 3.78Å; H357-F372 HydrophobicContact CB-CZ 3.92Å; L370-F372 HydrophobicContact CD1-CE2 4.35Å; L370-F372 HydrophobicContact CG-CE2 4.4Å; F372-W388 HydrophobicContact CB-CE3 4.07Å; F372-W388 WeakPolarHBondContact O-CZ3 3.21Å; F372-D389 CarbonylContact C-O 3.48Å; F372-D389 VanDerWaalsContact CA-O 3.25Å; F372-D389 WeakPolarHBondContact CA-O 3.21Å; F372-A390 HydrophobicContact CD1-CB 4.19Å; F372-A390 HydrophobicContact CE1-CB 3.72Å; F372-A390 HydrophobicContact CE2-CB 4.2Å; F372-A390 HydrophobicContact CZ-CB 3.73Å
373R95.2Very high85Confident34 Ų3438.5 Ų38.513%0.12821%0.207CC..EExtended strand (participates in β ladder)trans-104.5121.8-177.5-173.7-166.968.988.85.2110.4Y319 Q324 E379 W388 D389 E391Y319-R373 HydrophobicContact CD1-CG 4.1Å; Q324-R373 VanDerWaalsContact NE2-CG 3.33Å; R373-E379 IonicContact CZ-OE2 2.76Å; R373-E379 IonicContact NH1-OE2 3.67Å; R373-E379 PolarHBondContact NH1-OE2 2.89Å; R373-E379 IonicContact NH2-OE2 3.04Å; R373-W388 CarbonylContact O-C 3.48Å; R373-W388 WeakPolarHBondContact O-CA 3.29Å; R373-D389 IonicContact CZ-OD2 2.65Å; R373-D389 PolarHBondContact N-O 3.26Å; R373-D389 IonicContact NE-OD2 3.36Å; R373-D389 IonicContact NH2-OD2 3.13Å; R373-D389 PolarHBondContact NH2-OD2 3.44Å; R373-D389 PolarHBondContact O-N 2.84Å; R373-E391 HydrophobicContact CB-CG 4.3Å; R373-E391 WeakPolarHBondContact CD-OE1 3.33Å; R373-E391 IonicContact CZ-OE1 3.85Å; R373-E391 IonicContact NE-OE1 2.69Å; R373-E391 PolarHBondContact NE-OE1 2.75Å
374Q94.1Very high84Confident22 Ų2239.3 Ų39.310%0.10321%0.213CC..EExtended strand (participates in β ladder)trans-72.8142.2173.8-163174.432.600110.7Y319 S321 Q324 D386 C387 W388Y319-Q374 PolarHBondContact O-N 3.15Å; Y319-Q374 VanDerWaalsContact O-N 3.09Å; S321-Q374 VanDerWaalsContact CB-OE1 3.23Å; S321-Q374 PolarHBondContact OG-OE1 3.32Å; Q324-Q374 PolarHBondContact NE2-O 3.5Å; Q374-D386 WeakPolarHBondContact CG-OD1 3.21Å; Q374-D386 PolarHBondContact NE2-OD1 2.81Å; Q374-C387 CarbonylContact C-O 3.55Å; Q374-C387 VanDerWaalsContact CA-O 3.31Å; Q374-C387 WeakPolarHBondContact CA-O 3.44Å; Q374-W388 HydrophobicContact CB-CD2 3.8Å; Q374-W388 HydrophobicContact CB-CE3 3.86Å; Q374-W388 HydrophobicContact CB-CH2 3.83Å; Q374-W388 HydrophobicContact CB-CZ2 3.73Å; Q374-W388 HydrophobicContact CB-CZ3 3.88Å; Q374-W388 VanDerWaalsContact CD-CZ2 3.46Å; Q374-W388 HydrophobicContact CG-CD2 4.05Å; Q374-W388 HydrophobicContact CG-CH2 4.39Å; Q374-W388 HydrophobicContact CG-CZ2 3.77Å
375H87.6Confident83.5Confident29 Ų2941.7 Ų41.713%0.13422%0.224CC..PPolyproline II helixtrans-66.5145.2172.4-79.2-141.7000111.3E379 M380 C387 D389H375-E379 HydrophobicContact CB-CB 4.45Å; H375-M380 HydrophobicContact CB-CE 3.93Å; H375-M380 HydrophobicContact CB-SD 4.19Å; H375-C387 HydrophobicContact CB-CB 4.06Å; H375-C387 PolarHBondContact N-O 2.69Å; H375-C387 PolarHBondContact NE2-SG 3.43Å; H375-D389 IonicContact CD2-OD1 3.78Å; H375-D389 IonicContact CD2-OD2 3.62Å; H375-D389 PolarHBondContact CD2-OD2 2.67Å; H375-D389 IonicContact CE1-OD1 3.14Å; H375-D389 IonicContact NE2-OD1 3.58Å; H375-D389 PolarHBondContact NE2-OD1 3.01Å; H375-D389 IonicContact NE2-OD2 3.74Å; H375-D389 PolarHBondContact NE2-OD2 2.85Å
376L82Confident83.1Confident3 Ų341.8 Ų41.82%0.01622%0.224CC..PPolyproline II helixtrans-75.4156.3165.6-54.2-179.4000110K45 Q324 M325 N378 E379 M380K45-L376 HydrophobicContact CD-CD1 4.12Å; K45-L376 VanDerWaalsContact NZ-CD2 3.27Å; Q324-L376 HydrophobicContact CB-CD2 4.23Å; M325-L376 HydrophobicContact SD-CD2 4.09Å; L376-N378 WeakPolarHBondContact CB-OD1 3.26Å; L376-N378 PolarHBondContact O-N 3.2Å; L376-E379 HydrophobicContact CB-CB 4.38Å; L376-E379 HydrophobicContact CB-CG 4.18Å; L376-E379 WeakPolarHBondContact CD1-OE1 3.45Å; L376-E379 WeakPolarHBondContact CG-OE2 3.36Å; L376-E379 PolarHBondContact N-OE2 2.72Å; L376-E379 PolarHBondContact O-N 3.2Å; L376-M380 PolarHBondContact O-N 2.8Å
377S74.7Confident83.1Confident77 Ų7739.8 Ų39.854%0.53821%0.214SC..THydrogen-bonded Turntrans-62.5-4.7-179.373.60000115.3K25K25-S377 PolarHBondContact NZ-OG 3.09Å
378N68.2Low83.3Confident53 Ų5337.4 Ų37.428%0.28320%0.195SC..THydrogen-bonded Turntrans-118.56178.465.2-90.1000112.4I38 K42 L376I38-N378 HydrophobicContact CD1-CB 4.2Å; I38-N378 HydrophobicContact CG2-CB 3.76Å; I38-N378 WeakPolarHBondContact CG2-ND2 3.2Å; I38-N378 WeakPolarHBondContact CG2-OD1 3.44Å; K42-N378 WeakPolarHBondContact CE-ND2 3.35Å; L376-N378 WeakPolarHBondContact CB-OD1 3.26Å; L376-N378 PolarHBondContact O-N 3.2Å
379E67.9Low83.6Confident57 Ų5731.8 Ų31.827%0.26617%0.171SC..THydrogen-bonded Turntrans-114.2-32171.4-69.1167.7-17500109.6K42 R373 H375 L376 A381K42-E379 VanDerWaalsContact CE-OE1 3.25Å; K42-E379 WeakPolarHBondContact CE-OE1 3.37Å; R373-E379 IonicContact CZ-OE2 2.76Å; R373-E379 IonicContact NH1-OE2 3.67Å; R373-E379 PolarHBondContact NH1-OE2 2.89Å; R373-E379 IonicContact NH2-OE2 3.04Å; H375-E379 HydrophobicContact CB-CB 4.45Å; L376-E379 HydrophobicContact CB-CB 4.38Å; L376-E379 HydrophobicContact CB-CG 4.18Å; L376-E379 WeakPolarHBondContact CD1-OE1 3.45Å; L376-E379 WeakPolarHBondContact CG-OE2 3.36Å; L376-E379 PolarHBondContact N-OE2 2.72Å; L376-E379 PolarHBondContact O-N 3.2Å; E379-A381 PolarHBondContact O-N 3.27Å
380M72.6Confident83.8Confident40 Ų4029.1 Ų29.120%0.19716%0.161CC..SBendtrans-40.4119.7171.2-163.966.270.700111H375 L376 A384 C387H375-M380 HydrophobicContact CB-CE 3.93Å; H375-M380 HydrophobicContact CB-SD 4.19Å; L376-M380 PolarHBondContact O-N 2.8Å; M380-A384 HydrophobicContact CG-CB 4.09Å; M380-A384 WeakPolarHBondContact CG-O 3.36Å; M380-A384 HydrophobicContact SD-CB 3.64Å; M380-C387 HydrophobicContact CE-CB 4.28Å; M380-C387 HydrophobicContact SD-CB 3.59Å; M380-C387 VanDerWaalsContact SD-CB 3.59Å
381A65.1Low83.8Confident31 Ų3129.7 Ų29.726%0.25616%0.164SC..  trans-58.3147.3175.200000110.2E379 Y383 A384E379-A381 PolarHBondContact O-N 3.27Å; A381-Y383 HydrophobicContact CB-CD1 4.46Å; A381-Y383 HydrophobicContact CB-CD2 3.79Å; A381-Y383 HydrophobicContact CB-CE1 4.1Å; A381-Y383 HydrophobicContact CB-CE2 3.34Å; A381-Y383 HydrophobicContact CB-CG 4.34Å; A381-Y383 PolarHBondContact O-N 2.83Å; A381-A384 HydrophobicContact CB-CB 4.48Å; A381-A384 PolarHBondContact O-N 3.3Å
382H65.5Low83.8Confident85 Ų8529.4 Ų29.439%0.39416%0.163SC..THydrogen-bonded Turntrans-64.1-5.8-171.465.9-105.1000115.5R140 Y410R140-H382 PolarHBondContact NH1-CD2 3.5Å; R140-H382 PolarHBondContact NH1-NE2 2.89Å; H382-Y410 AromaticContact CD2-CE1 3.97Å; H382-Y410 AromaticContact CD2-CZ 3.61Å; H382-Y410 AromaticContact NE2-CE1 3.8Å; H382-Y410 AromaticContact NE2-CZ 3.73Å
383Y64.5Low83.5Confident44 Ų4431.7 Ų31.717%0.17317%0.173CC..THydrogen-bonded Turntrans-102.8-19.2174.542.6-114.1000113.2A381 R407 S408A381-Y383 HydrophobicContact CB-CD1 4.46Å; A381-Y383 HydrophobicContact CB-CD2 3.79Å; A381-Y383 HydrophobicContact CB-CE1 4.1Å; A381-Y383 HydrophobicContact CB-CE2 3.34Å; A381-Y383 HydrophobicContact CB-CG 4.34Å; A381-Y383 PolarHBondContact O-N 2.83Å; Y383-R407 HydrophobicContact CD2-CB 4.37Å; Y383-R407 HydrophobicContact CD2-CG 3.83Å; Y383-R407 HydrophobicContact CE2-CG 4.17Å; Y383-R407 CarbonylContact O-C 3.58Å; Y383-R407 WeakPolarHBondContact O-CA 3.19Å; Y383-S408 PolarHBondContact O-OG 3.19Å
384A73.3Confident83.3Confident17 Ų1730.7 Ų30.714%0.1417%0.171CC..  trans-94.4148.9-170.800000113.5M380 A381 A405 D406M380-A384 HydrophobicContact CG-CB 4.09Å; M380-A384 WeakPolarHBondContact CG-O 3.36Å; M380-A384 HydrophobicContact SD-CB 3.64Å; A381-A384 HydrophobicContact CB-CB 4.48Å; A381-A384 PolarHBondContact O-N 3.3Å; A384-A405 HydrophobicContact CB-CB 4.37Å; A384-D406 CarbonylContact C-O 3.49Å; A384-D406 VanDerWaalsContact CA-O 3.31Å; A384-D406 WeakPolarHBondContact CA-O 3.32Å
385C82.4Confident83.1Confident79 Ų7931.7 Ų31.753%0.53418%0.18SC..SBendtrans-111.2-29174.866.30000114D406C385-D406 PolarHBondContact N-O 3.42Å; C385-D406 VanDerWaalsContact SG-CG 3.5Å; C385-D406 PolarHBondContact SG-O 2.67Å; C385-D406 VanDerWaalsContact SG-O 3.37Å; C385-D406 PolarHBondContact SG-OD1 3.03Å; C385-D406 VanDerWaalsContact SG-OD1 3.35Å
386D89.3Confident82.9Confident8 Ų833.8 Ų33.84%0.04319%0.188CC..EExtended strand (participates in β ladder)trans-137154.2161-167.712.7000108A345 L349 Q374 W388 D406A345-D386 HydrophobicContact CB-CB 4.01Å; A345-D386 PolarHBondContact N-OD2 3.29Å; L349-D386 HydrophobicContact CD2-CB 3.91Å; L349-D386 VanDerWaalsContact CD2-OD2 3.28Å; L349-D386 WeakPolarHBondContact CD2-OD2 3.15Å; Q374-D386 WeakPolarHBondContact CG-OD1 3.21Å; Q374-D386 PolarHBondContact NE2-OD1 2.81Å; D386-W388 PolarHBondContact OD1-NE1 2.9Å; D386-W388 PolarHBondContact OD2-NE1 3.43Å; D386-D406 HydrophobicContact CB-CB 4.46Å; D386-D406 PolarHBondContact O-N 2.8Å
387C93.5Very high83.1Confident9 Ų933.9 Ų33.96%0.06119%0.189CC..EExtended strand (participates in β ladder)trans-158.4134.7178.8-173.10000111.1Q374 H375 M380 C404 A405Q374-C387 CarbonylContact C-O 3.55Å; Q374-C387 VanDerWaalsContact CA-O 3.31Å; Q374-C387 WeakPolarHBondContact CA-O 3.44Å; H375-C387 HydrophobicContact CB-CB 4.06Å; H375-C387 PolarHBondContact N-O 2.69Å; H375-C387 PolarHBondContact NE2-SG 3.43Å; M380-C387 HydrophobicContact CE-CB 4.28Å; M380-C387 HydrophobicContact SD-CB 3.59Å; M380-C387 VanDerWaalsContact SD-CB 3.59Å; C387-C404 WeakPolarHBondContact CA-O 3.43Å; C387-A405 HydrophobicContact CB-CB 4.34Å
388W96.8Very high83.8Confident0 Ų032.8 Ų32.80%017%0.173CC..EExtended strand (participates in β ladder)trans-131.3117-178.4-70.380.8000111.5L318 V343 V344 M353 F372 R373 Q374 D386 C404L318-W388 HydrophobicContact CB-CH2 4.32Å; L318-W388 HydrophobicContact CB-CZ3 3.97Å; L318-W388 HydrophobicContact CD1-CH2 4.33Å; L318-W388 HydrophobicContact CD1-CZ3 4.44Å; L318-W388 HydrophobicContact CD2-CZ3 4.25Å; L318-W388 HydrophobicContact CG-CZ3 4.45Å; V343-W388 HydrophobicContact CG1-CH2 3.99Å; V343-W388 HydrophobicContact CG1-CZ2 4.14Å; V343-W388 WeakPolarHBondContact O-CZ2 3.47Å; V344-W388 HydrophobicContact CG2-CH2 4.45Å; V344-W388 HydrophobicContact CG2-CZ2 3.87Å; M353-W388 HydrophobicContact CE-CB 3.94Å; M353-W388 HydrophobicContact CE-CD2 3.5Å; M353-W388 HydrophobicContact CE-CE3 3.66Å; M353-W388 HydrophobicContact CE-CG 3.64Å; M353-W388 HydrophobicContact CE-CZ3 4.33Å; M353-W388 HydrophobicContact CG-CB 4.38Å; M353-W388 HydrophobicContact SD-CB 4Å; M353-W388 HydrophobicContact SD-CD2 4.1Å; M353-W388 HydrophobicContact SD-CG 3.71Å; F372-W388 HydrophobicContact CB-CE3 4.07Å; F372-W388 WeakPolarHBondContact O-CZ3 3.21Å; R373-W388 CarbonylContact O-C 3.48Å; R373-W388 WeakPolarHBondContact O-CA 3.29Å; Q374-W388 HydrophobicContact CB-CD2 3.8Å; Q374-W388 HydrophobicContact CB-CE3 3.86Å; Q374-W388 HydrophobicContact CB-CH2 3.83Å; Q374-W388 HydrophobicContact CB-CZ2 3.73Å; Q374-W388 HydrophobicContact CB-CZ3 3.88Å; Q374-W388 VanDerWaalsContact CD-CZ2 3.46Å; Q374-W388 HydrophobicContact CG-CD2 4.05Å; Q374-W388 HydrophobicContact CG-CH2 4.39Å; Q374-W388 HydrophobicContact CG-CZ2 3.77Å; D386-W388 PolarHBondContact OD1-NE1 2.9Å; D386-W388 PolarHBondContact OD2-NE1 3.43Å; W388-C404 PolarHBondContact N-O 3.36Å; W388-C404 VanDerWaalsContact O-CB 3.26Å; W388-C404 WeakPolarHBondContact O-CB 3.36Å; W388-C404 PolarHBondContact O-N 3.36Å
389D97.1Very high85Confident13 Ų1331 Ų317%0.0716%0.164CC..EExtended strand (participates in β ladder)trans-85.7126.1175.5-59.2-29.3000110.3F372 R373 H375 E391 E400 V402F372-D389 CarbonylContact C-O 3.48Å; F372-D389 VanDerWaalsContact CA-O 3.25Å; F372-D389 WeakPolarHBondContact CA-O 3.21Å; R373-D389 IonicContact CZ-OD2 2.65Å; R373-D389 PolarHBondContact N-O 3.26Å; R373-D389 IonicContact NE-OD2 3.36Å; R373-D389 IonicContact NH2-OD2 3.13Å; R373-D389 PolarHBondContact NH2-OD2 3.44Å; R373-D389 PolarHBondContact O-N 2.84Å; H375-D389 IonicContact CD2-OD1 3.78Å; H375-D389 IonicContact CD2-OD2 3.62Å; H375-D389 PolarHBondContact CD2-OD2 2.67Å; H375-D389 IonicContact CE1-OD1 3.14Å; H375-D389 IonicContact NE2-OD1 3.58Å; H375-D389 PolarHBondContact NE2-OD1 3.01Å; H375-D389 IonicContact NE2-OD2 3.74Å; H375-D389 PolarHBondContact NE2-OD2 2.85Å; D389-E391 HydrophobicContact CB-CG 3.94Å; D389-E391 PolarHBondContact O-N 3.11Å; D389-E400 HydrophobicContact CB-CB 4.24Å; D389-E400 HydrophobicContact CB-CG 3.97Å; D389-V402 CarbonylContact C-O 3.57Å
390A98.3Very high86.3Confident0 Ų031.6 Ų31.60%017%0.166CC..EExtended strand (participates in β ladder)trans-76.2100.7162.900000108.9I356 L360 L370 F372 C401 V402I356-A390 HydrophobicContact CG2-CB 3.89Å; L360-A390 HydrophobicContact CD1-CB 3.91Å; L370-A390 HydrophobicContact CD1-CB 4.44Å; F372-A390 HydrophobicContact CD1-CB 4.19Å; F372-A390 HydrophobicContact CE1-CB 3.72Å; F372-A390 HydrophobicContact CE2-CB 4.2Å; F372-A390 HydrophobicContact CZ-CB 3.73Å; A390-C401 PolarHBondContact O-N 2.84Å; A390-V402 HydrophobicContact CB-CB 3.97Å; A390-V402 HydrophobicContact CB-CG2 4.43Å; A390-V402 PolarHBondContact N-O 2.96Å; A390-V402 PolarHBondContact O-N 2.79Å
391E97.4Very high87.4Confident15 Ų1529.7 Ų29.77%0.0716%0.157CC..EExtended strand (participates in β ladder)trans-98.6132.3-177.6-65.7-176.9161.700111.4R371 R373 D389 W398 I399R371-E391 HydrophobicContact CG-CB 3.99Å; R371-E391 IonicContact CZ-OE2 3.78Å; R371-E391 PolarHBondContact N-O 2.95Å; R371-E391 IonicContact NE-OE2 3.03Å; R371-E391 PolarHBondContact NE-OE2 2.9Å; R371-E391 IonicContact NH2-OE2 2.79Å; R371-E391 PolarHBondContact NH2-OE2 3.31Å; R371-E391 PolarHBondContact O-N 2.89Å; R373-E391 HydrophobicContact CB-CG 4.3Å; R373-E391 WeakPolarHBondContact CD-OE1 3.33Å; R373-E391 IonicContact CZ-OE1 3.85Å; R373-E391 IonicContact NE-OE1 2.69Å; R373-E391 PolarHBondContact NE-OE1 2.75Å; D389-E391 HydrophobicContact CB-CG 3.94Å; D389-E391 PolarHBondContact O-N 3.11Å; E391-W398 HydrophobicContact CB-CB 4.39Å; E391-W398 HydrophobicContact CB-CE3 4.05Å; E391-W398 WeakPolarHBondContact O-CZ3 3.47Å; E391-I399 CarbonylContact C-O 3.58Å; E391-I399 VanDerWaalsContact CA-O 3.32Å; E391-I399 WeakPolarHBondContact CA-O 3.45Å
392C95.6Very high89Confident1 Ų128.2 Ų28.21%0.00715%0.145CC..EExtended strand (participates in β ladder)trans-108.2133.4176.6-62.80000111R369 T394 W398 I399 T530R369-C392 CarbonylContact O-C 3.57Å; R369-C392 VanDerWaalsContact O-CA 3.28Å; R369-C392 WeakPolarHBondContact O-CA 3.3Å; C392-T394 PolarHBondContact O-N 3.35Å; C392-W398 WeakPolarHBondContact O-CA 3.27Å; C392-I399 PolarHBondContact N-O 3.03Å; C392-I399 WeakPolarHBondContact O-CG1 3.42Å; C392-I399 PolarHBondContact O-N 2.99Å; C392-T530 HydrophobicContact CB-CG2 3.53Å
393Q93Very high90.5Very high49 Ų4924.8 Ų24.823%0.22913%0.132CC..EExtended strand (participates in β ladder)trans-79.5117.2178.4-162.2-174.620.500110.5S56 R369 W398 H534S56-Q393 PolarHBondContact OG-NE2 3.32Å; R369-Q393 HydrophobicContact CB-CB 3.96Å; R369-Q393 HydrophobicContact CG-CB 4.4Å; R369-Q393 PolarHBondContact O-N 2.83Å; Q393-W398 HydrophobicContact CB-CD2 3.94Å; Q393-W398 HydrophobicContact CB-CE3 3.81Å; Q393-W398 HydrophobicContact CB-CH2 3.83Å; Q393-W398 HydrophobicContact CB-CZ2 3.95Å; Q393-W398 HydrophobicContact CB-CZ3 3.75Å; Q393-W398 HydrophobicContact CG-CD2 4.17Å; Q393-W398 HydrophobicContact CG-CH2 4.5Å; Q393-W398 HydrophobicContact CG-CZ2 4.12Å; Q393-H534 PolarHBondContact O-NE2 3.17Å
394T90.8Very high92Very high12 Ų1222.7 Ų22.77%0.07412%0.124CC..EExtended strand (participates in β ladder)trans-127.5177.3178.567.80000111.6C392 Y396 G397 I399 Y529 E533C392-T394 PolarHBondContact O-N 3.35Å; T394-Y396 PolarHBondContact O-N 3.43Å; T394-Y396 VanDerWaalsContact O-N 3.08Å; T394-Y396 PolarHBondContact OG1-N 2.84Å; T394-G397 PolarHBondContact N-O 3.46Å; T394-G397 WeakPolarHBondContact O-CA 3.24Å; T394-G397 PolarHBondContact O-N 2.94Å; T394-G397 PolarHBondContact OG1-O 3.32Å; T394-I399 HydrophobicContact CG2-CD1 3.74Å; T394-I399 HydrophobicContact CG2-CG1 3.86Å; T394-Y529 HydrophobicContact CG2-CE1 4.37Å; T394-E533 VanDerWaalsContact C-OE1 3.26Å; T394-E533 WeakPolarHBondContact CA-OE1 3.41Å
395S88.6Confident93Very high43 Ų4322 Ų2230%0.30112%0.119SC..THydrogen-bonded Turntrans-67.11.9172.564.30000114.5R64 E533R64-S395 PolarHBondContact NH1-O 2.87Å; R64-S395 PolarHBondContact NH1-OG 3.32Å; S395-E533 WeakPolarHBondContact CB-OE1 3.49Å; S395-E533 WeakPolarHBondContact CB-OE2 3.27Å; S395-E533 PolarHBondContact N-OE1 3.26Å; S395-E533 PolarHBondContact N-OE2 3.43Å; S395-E533 PolarHBondContact OG-OE2 3.29Å
396Y85.1Confident93.5Very high74 Ų7418.3 Ų18.329%0.299%0.094SC..THydrogen-bonded Turntrans-109.26.2166.8-64.1-80.2000113S281 I284 T394 Y529S281-Y396 VanDerWaalsContact CB-CE1 3.47Å; S281-Y396 WeakPolarHBondContact OG-CD1 3.29Å; S281-Y396 VanDerWaalsContact OG-CE1 3.29Å; S281-Y396 WeakPolarHBondContact OG-CE1 3.47Å; I284-Y396 HydrophobicContact CD1-CD2 3.32Å; I284-Y396 HydrophobicContact CD1-CE2 3.84Å; I284-Y396 HydrophobicContact CD1-CG 3.88Å; T394-Y396 PolarHBondContact O-N 3.43Å; T394-Y396 VanDerWaalsContact O-N 3.08Å; T394-Y396 PolarHBondContact OG1-N 2.84Å; Y396-Y529 HydrophobicContact CD2-CE1 4.24Å; Y396-Y529 HydrophobicContact CE2-CE1 4.28Å; Y396-Y529 HydrophobicContact CE2-CE2 4.46Å; Y396-Y529 AromaticContact CE2-CZ 3.87Å
397G85.3Confident93.3Very high5 Ų518 Ų185%0.0529%0.092CC..EExtended strand (participates in β ladder)trans97.8-166.4-171.600000112.5T394 I399T394-G397 PolarHBondContact N-O 3.46Å; T394-G397 WeakPolarHBondContact O-CA 3.24Å; T394-G397 PolarHBondContact O-N 2.94Å; T394-G397 PolarHBondContact OG1-O 3.32Å; G397-I399 PolarHBondContact O-N 3.09Å
398W90.2Very high93Very high54 Ų5419.2 Ų19.221%0.20510%0.1CC..EExtended strand (participates in β ladder)trans-68.7125.3169.5-68.2100000109.6R371 E391 C392 Q393R371-W398 HydrophobicContact CB-CH2 4.13Å; R371-W398 HydrophobicContact CB-CZ3 3.91Å; R371-W398 HydrophobicContact CG-CD2 4.28Å; R371-W398 HydrophobicContact CG-CE3 3.69Å; R371-W398 HydrophobicContact CG-CH2 4.04Å; R371-W398 HydrophobicContact CG-CZ3 3.55Å; E391-W398 HydrophobicContact CB-CB 4.39Å; E391-W398 HydrophobicContact CB-CE3 4.05Å; E391-W398 WeakPolarHBondContact O-CZ3 3.47Å; C392-W398 WeakPolarHBondContact O-CA 3.27Å; Q393-W398 HydrophobicContact CB-CD2 3.94Å; Q393-W398 HydrophobicContact CB-CE3 3.81Å; Q393-W398 HydrophobicContact CB-CH2 3.83Å; Q393-W398 HydrophobicContact CB-CZ2 3.95Å; Q393-W398 HydrophobicContact CB-CZ3 3.75Å; Q393-W398 HydrophobicContact CG-CD2 4.17Å; Q393-W398 HydrophobicContact CG-CH2 4.5Å; Q393-W398 HydrophobicContact CG-CZ2 4.12Å
399I92.3Very high92.4Very high16 Ų1621 Ų218%0.08211%0.113CC..EExtended strand (participates in β ladder)trans-121.9125.9177.558.5166.9000111I284 E391 C392 T394 G397 C401I284-I399 HydrophobicContact CD1-CD1 3.89Å; I284-I399 HydrophobicContact CG1-CD1 3.97Å; I284-I399 HydrophobicContact CG2-CD1 4.38Å; I284-I399 HydrophobicContact CG2-CG2 4.21Å; E391-I399 CarbonylContact C-O 3.58Å; E391-I399 VanDerWaalsContact CA-O 3.32Å; E391-I399 WeakPolarHBondContact CA-O 3.45Å; C392-I399 PolarHBondContact N-O 3.03Å; C392-I399 WeakPolarHBondContact O-CG1 3.42Å; C392-I399 PolarHBondContact O-N 2.99Å; T394-I399 HydrophobicContact CG2-CD1 3.74Å; T394-I399 HydrophobicContact CG2-CG1 3.86Å; G397-I399 PolarHBondContact O-N 3.09Å; I399-C401 PolarHBondContact O-N 2.97Å; I399-C401 PolarHBondContact O-SG 3.23Å; I399-C401 VanDerWaalsContact O-SG 3.39Å
400E95.5Very high91.8Very high68 Ų6822.4 Ų22.432%0.31812%0.117SC..EExtended strand (participates in β ladder)trans-56.2121.2168.5169-97.4105.600109.1D389 R526D389-E400 HydrophobicContact CB-CB 4.24Å; D389-E400 HydrophobicContact CB-CG 3.97Å; E400-R526 WeakPolarHBondContact O-CD 3.28Å; E400-R526 PolarHBondContact O-NH1 3.37Å; E400-R526 IonicContact OE1-CZ 2.72Å; E400-R526 IonicContact OE1-NH1 2.8Å; E400-R526 PolarHBondContact OE1-NH1 3.3Å; E400-R526 IonicContact OE2-CZ 3.85Å; E400-R526 IonicContact OE2-NH1 2.8Å; E400-R526 PolarHBondContact OE2-NH1 2.73Å; E400-R526 IonicContact OE2-NH2 2.72Å
401C96.9Very high91.4Very high0 Ų022.5 Ų22.50%012%0.118CC..EExtended strand (participates in β ladder)trans-116.6-25.8-179.3-71.20000112.6A390 I399 G523 I527A390-C401 PolarHBondContact O-N 2.84Å; I399-C401 PolarHBondContact O-N 2.97Å; I399-C401 PolarHBondContact O-SG 3.23Å; I399-C401 VanDerWaalsContact O-SG 3.39Å; C401-G523 PolarHBondContact O-N 3.48Å; C401-I527 HydrophobicContact CB-CG1 4.03Å
402V98.3Very high91.2Very high0 Ų021.9 Ų21.90%012%0.115CC..EExtended strand (participates in β ladder)trans-141125.5171.2-169.90000107.8I356 L360 D389 A390 S521 F522 I527I356-V402 HydrophobicContact CD1-CG1 3.88Å; I356-V402 HydrophobicContact CG1-CG1 4.13Å; I356-V402 HydrophobicContact CG2-CB 3.95Å; I356-V402 HydrophobicContact CG2-CG1 4.02Å; I356-V402 HydrophobicContact CG2-CG2 3.93Å; L360-V402 HydrophobicContact CD1-CG2 4.33Å; L360-V402 HydrophobicContact CD2-CG2 4.34Å; D389-V402 CarbonylContact C-O 3.57Å; A390-V402 HydrophobicContact CB-CB 3.97Å; A390-V402 HydrophobicContact CB-CG2 4.43Å; A390-V402 PolarHBondContact N-O 2.96Å; A390-V402 PolarHBondContact O-N 2.79Å; V402-S521 CarbonylContact C-O 3.58Å; V402-S521 WeakPolarHBondContact CA-O 3.28Å; V402-S521 WeakPolarHBondContact CG1-O 3.37Å; V402-F522 HydrophobicContact CB-CD1 4.23Å; V402-F522 HydrophobicContact CG1-CB 4.47Å; V402-F522 HydrophobicContact CG1-CD1 3.71Å; V402-F522 HydrophobicContact CG1-CD2 3.93Å; V402-F522 HydrophobicContact CG1-CE1 3.86Å; V402-F522 HydrophobicContact CG1-CE2 4.08Å; V402-F522 HydrophobicContact CG1-CG 3.75Å; V402-F522 HydrophobicContact CG1-CZ 4.04Å; V402-F522 HydrophobicContact CG2-CB 4.4Å; V402-F522 HydrophobicContact CG2-CD1 3.4Å; V402-F522 HydrophobicContact CG2-CE1 3.88Å; V402-F522 HydrophobicContact CG2-CG 4.01Å; V402-I527 HydrophobicContact CG2-CD1 4.07Å
403G96Very high91Very high13 Ų1324 Ų2413%0.13413%0.126CC..EExtended strand (participates in β ladder)trans-85.8143.1165.600000110.2P520 S521G403-P520 CarbonylContact O-C 3.48Å; G403-P520 WeakPolarHBondContact O-CA 3.39Å; G403-S521 PolarHBondContact N-O 2.68Å; G403-S521 PolarHBondContact O-N 2.87Å
404C96.8Very high91Very high0 Ų024.1 Ų24.10%013%0.127CC..EExtended strand (participates in β ladder)trans-132.791.1175.1-165.80000109.7I356 C387 W388 E519I356-C404 HydrophobicContact CD1-CB 3.86Å; C387-C404 WeakPolarHBondContact CA-O 3.43Å; W388-C404 PolarHBondContact N-O 3.36Å; W388-C404 VanDerWaalsContact O-CB 3.26Å; W388-C404 WeakPolarHBondContact O-CB 3.36Å; W388-C404 PolarHBondContact O-N 3.36Å; C404-E519 CarbonylContact C-O 3.6Å; C404-E519 VanDerWaalsContact CA-O 3.29Å; C404-E519 WeakPolarHBondContact CA-O 3.46Å
405A93.6Very high91.3Very high4 Ų423.9 Ų23.93%0.03313%0.125CC..EExtended strand (participates in β ladder)trans-103148.1-172.600000112.9A384 C387 R407 I518 E519A384-A405 HydrophobicContact CB-CB 4.37Å; C387-A405 HydrophobicContact CB-CB 4.34Å; A405-R407 HydrophobicContact CB-CG 4.24Å; A405-I518 CarbonylContact O-C 3.56Å; A405-I518 WeakPolarHBondContact O-CA 3.45Å; A405-E519 PolarHBondContact N-O 2.94Å; A405-E519 PolarHBondContact O-N 2.83Å
406D92.5Very high91.6Very high1 Ų123 Ų231%0.00512%0.119CC..EExtended strand (participates in β ladder)trans-100.686.9164.1-168-38.7000107.6K303 N346 A384 C385 D386 S408 V517 I518K303-D406 IonicContact NZ-OD1 3.3Å; K303-D406 PolarHBondContact NZ-OD1 1.89Å; K303-D406 IonicContact NZ-OD2 3.72Å; K303-D406 PolarHBondContact NZ-OD2 2.81Å; N346-D406 PolarHBondContact ND2-OD2 2.93Å; A384-D406 CarbonylContact C-O 3.49Å; A384-D406 VanDerWaalsContact CA-O 3.31Å; A384-D406 WeakPolarHBondContact CA-O 3.32Å; C385-D406 PolarHBondContact N-O 3.42Å; C385-D406 VanDerWaalsContact SG-CG 3.5Å; C385-D406 PolarHBondContact SG-O 2.67Å; C385-D406 VanDerWaalsContact SG-O 3.37Å; C385-D406 PolarHBondContact SG-OD1 3.03Å; C385-D406 VanDerWaalsContact SG-OD1 3.35Å; D386-D406 HydrophobicContact CB-CB 4.46Å; D386-D406 PolarHBondContact O-N 2.8Å; D406-S408 PolarHBondContact O-N 2.66Å; D406-V517 CarbonylContact C-O 3.53Å; D406-I518 HydrophobicContact CB-CD1 3.78Å; D406-I518 WeakPolarHBondContact OD2-CD1 3.49Å
407R86.3Confident92Very high1 Ų126.4 Ų26.40%0.00414%0.135CC..  trans-68.67.6-174.6-63.3-176.370.4127-5.5113.6E242 Y383 A405 C409 Y410 D411 V517 E519E242-R407 IonicContact OE1-NH1 3.39Å; E242-R407 IonicContact OE1-NH2 3.27Å; E242-R407 PolarHBondContact OE1-NH2 3.04Å; E242-R407 IonicContact OE2-NH1 3.78Å; Y383-R407 HydrophobicContact CD2-CB 4.37Å; Y383-R407 HydrophobicContact CD2-CG 3.83Å; Y383-R407 HydrophobicContact CE2-CG 4.17Å; Y383-R407 CarbonylContact O-C 3.58Å; Y383-R407 WeakPolarHBondContact O-CA 3.19Å; A405-R407 HydrophobicContact CB-CG 4.24Å; R407-C409 PolarHBondContact O-N 3.28Å; R407-Y410 PolarHBondContact O-N 3.39Å; R407-D411 IonicContact CZ-OD1 3.78Å; R407-D411 IonicContact CZ-OD2 3.68Å; R407-D411 IonicContact NE-OD2 2.77Å; R407-D411 PolarHBondContact NE-OD2 3.04Å; R407-D411 IonicContact NH2-OD1 2.77Å; R407-D411 PolarHBondContact NH2-OD1 3.39Å; R407-D411 IonicContact NH2-OD2 2.69Å; R407-D411 PolarHBondContact NH2-OD2 2.76Å; R407-V517 HydrophobicContact CB-CB 4.42Å; R407-V517 PolarHBondContact N-O 3.01Å; R407-E519 HydrophobicContact CG-CB 4.07Å; R407-E519 IonicContact CZ-OE2 2.78Å; R407-E519 IonicContact NE-OE2 2.73Å; R407-E519 IonicContact NH1-OE1 3.89Å; R407-E519 IonicContact NH1-OE2 3.18Å; R407-E519 PolarHBondContact NH1-OE2 2.68Å
408S86.7Confident92.3Very high34 Ų3429.2 Ų29.224%0.23816%0.158CC..THydrogen-bonded Turntrans45.5-136.7-171.471.30000110.4Y383 D406 N516 V517Y383-S408 PolarHBondContact O-OG 3.19Å; D406-S408 PolarHBondContact O-N 2.66Å; S408-N516 WeakPolarHBondContact CA-OD1 3.5Å; S408-N516 CarbonylContact O-C 3.53Å; S408-N516 VanDerWaalsContact O-CA 3.24Å; S408-N516 WeakPolarHBondContact O-CA 3.32Å; S408-V517 PolarHBondContact O-N 3.28Å
409C84.1Confident92.6Very high38 Ų3830.8 Ų30.826%0.25717%0.173SC..THydrogen-bonded Turntrans-107.824177.259.20000112.4R407 N413 V514 P515 N516R407-C409 PolarHBondContact O-N 3.28Å; C409-N413 WeakPolarHBondContact O-CB 3.42Å; C409-N413 PolarHBondContact O-N 2.7Å; C409-N413 PolarHBondContact O-ND2 3.16Å; C409-N413 PolarHBondContact SG-ND2 2.85Å; C409-V514 HydrophobicContact CB-CB 4.16Å; C409-V514 HydrophobicContact CB-CG1 3.78Å; C409-P515 VanDerWaalsContact CB-O 3.32Å; C409-P515 WeakPolarHBondContact CB-O 3.22Å; C409-N516 PolarHBondContact N-OD1 2.91Å; C409-N516 VanDerWaalsContact N-OD1 3.12Å
410Y84.4Confident92.5Very high43 Ų4333.2 Ų33.217%0.16920%0.203CC..Hα-helixtrans-59.5-60.9-171.1-178.5-93.7000112.6H382 R407 L412 N413 Q414H382-Y410 AromaticContact CD2-CE1 3.97Å; H382-Y410 AromaticContact CD2-CZ 3.61Å; H382-Y410 AromaticContact NE2-CE1 3.8Å; H382-Y410 AromaticContact NE2-CZ 3.73Å; R407-Y410 PolarHBondContact O-N 3.39Å; Y410-L412 PolarHBondContact O-N 2.91Å; Y410-N413 WeakPolarHBondContact O-CB 3.23Å; Y410-N413 PolarHBondContact O-N 2.94Å; Y410-N413 VanDerWaalsContact O-N 3.12Å; Y410-Q414 HydrophobicContact CD1-CG 4.07Å; Y410-Q414 HydrophobicContact CD2-CG 4.38Å; Y410-Q414 HydrophobicContact CE1-CG 3.7Å; Y410-Q414 HydrophobicContact CE2-CG 4.04Å; Y410-Q414 HydrophobicContact CG-CG 4.39Å; Y410-Q414 WeakPolarHBondContact O-CG 3.32Å; Y410-Q414 PolarHBondContact O-N 3.33Å; Y410-Q414 PolarHBondContact OH-NE2 3.34Å
411D89.1Confident92.4Very high2 Ų232.8 Ų32.81%0.01121%0.205CC..Hα-helixtrans-62.3-46.4-169.8-65.3-93000113Q245 F248 R407 N413 Q414 H415Q245-D411 PolarHBondContact NE2-OD1 3.14Å; F248-D411 HydrophobicContact CD1-CB 4.21Å; F248-D411 HydrophobicContact CD2-CB 3.46Å; F248-D411 VanDerWaalsContact CD2-CB 3.46Å; F248-D411 HydrophobicContact CE1-CB 4.25Å; F248-D411 HydrophobicContact CE2-CB 3.52Å; F248-D411 WeakPolarHBondContact CE2-OD1 3.24Å; F248-D411 HydrophobicContact CG-CB 3.85Å; F248-D411 HydrophobicContact CZ-CB 3.93Å; R407-D411 IonicContact CZ-OD1 3.78Å; R407-D411 IonicContact CZ-OD2 3.68Å; R407-D411 IonicContact NE-OD2 2.77Å; R407-D411 PolarHBondContact NE-OD2 3.04Å; R407-D411 IonicContact NH2-OD1 2.77Å; R407-D411 PolarHBondContact NH2-OD1 3.39Å; R407-D411 IonicContact NH2-OD2 2.69Å; R407-D411 PolarHBondContact NH2-OD2 2.76Å; D411-N413 VanDerWaalsContact C-N 3.27Å; D411-N413 PolarHBondContact O-N 3.26Å; D411-Q414 PolarHBondContact O-N 2.73Å; D411-H415 PolarHBondContact O-CD2 2.99Å; D411-H415 VanDerWaalsContact O-CD2 3.23Å; D411-H415 PolarHBondContact O-N 3.41Å
412L93.5Very high92.2Very high1 Ų139.3 Ų39.31%0.00523%0.23CC..Hα-helixtrans-61.5-36.2176.8-61.8-178.2000111.9F248 F251 F297 Y410 S416 L423 V514 P515F248-L412 HydrophobicContact CB-CD2 4.38Å; F248-L412 HydrophobicContact CD1-CD2 4.26Å; F251-L412 HydrophobicContact CB-CD2 3.8Å; F251-L412 HydrophobicContact CD1-CD2 4.25Å; F251-L412 HydrophobicContact CD2-CD1 4.05Å; F251-L412 HydrophobicContact CD2-CD2 4.06Å; F251-L412 HydrophobicContact CE2-CD1 4.04Å; F251-L412 HydrophobicContact CG-CD1 4.31Å; F251-L412 HydrophobicContact CG-CD2 3.75Å; F251-L412 HydrophobicContact CZ-CD1 4.29Å; F297-L412 HydrophobicContact CD1-CD1 4.03Å; F297-L412 HydrophobicContact CE1-CD1 3.95Å; F297-L412 HydrophobicContact CE1-CD2 4.29Å; F297-L412 HydrophobicContact CE1-CG 4.4Å; Y410-L412 PolarHBondContact O-N 2.91Å; L412-S416 VanDerWaalsContact O-CB 3.23Å; L412-S416 WeakPolarHBondContact O-CB 3.48Å; L412-S416 PolarHBondContact O-N 3.29Å; L412-S416 PolarHBondContact O-OG 3.47Å; L412-L423 HydrophobicContact CB-CB 4.27Å; L412-L423 HydrophobicContact CD2-CB 4.25Å; L412-L423 HydrophobicContact CD2-CD1 4.15Å; L412-V514 HydrophobicContact CB-CG1 4.11Å; L412-P515 HydrophobicContact CD1-CB 4.37Å; L412-P515 HydrophobicContact CD1-CG 4.05Å
413N93.1Very high92Very high47 Ų4739.8 Ų39.825%0.25123%0.232SC..Hα-helixtrans-66.4-43.6174-92.7-74.8000112.4C409 Y410 D411 S416 K417C409-N413 WeakPolarHBondContact O-CB 3.42Å; C409-N413 PolarHBondContact O-N 2.7Å; C409-N413 PolarHBondContact O-ND2 3.16Å; C409-N413 PolarHBondContact SG-ND2 2.85Å; Y410-N413 WeakPolarHBondContact O-CB 3.23Å; Y410-N413 PolarHBondContact O-N 2.94Å; Y410-N413 VanDerWaalsContact O-N 3.12Å; D411-N413 VanDerWaalsContact C-N 3.27Å; D411-N413 PolarHBondContact O-N 3.26Å; N413-S416 PolarHBondContact O-N 3.47Å; N413-K417 WeakPolarHBondContact O-CB 3.31Å; N413-K417 WeakPolarHBondContact O-CD 3.41Å; N413-K417 WeakPolarHBondContact O-CG 3.35Å; N413-K417 PolarHBondContact O-N 2.78Å
414Q92.2Very high92Very high51 Ų5140.6 Ų40.624%0.23823%0.234CC..Hα-helixtrans-70.6-43.3-177.8-58.7-65.364.100111.6A134 Y410 D411 S416 K417 A418A134-Q414 VanDerWaalsContact O-CB 3.31Å; A134-Q414 WeakPolarHBondContact O-CB 3.33Å; Y410-Q414 HydrophobicContact CD1-CG 4.07Å; Y410-Q414 HydrophobicContact CD2-CG 4.38Å; Y410-Q414 HydrophobicContact CE1-CG 3.7Å; Y410-Q414 HydrophobicContact CE2-CG 4.04Å; Y410-Q414 HydrophobicContact CG-CG 4.39Å; Y410-Q414 WeakPolarHBondContact O-CG 3.32Å; Y410-Q414 PolarHBondContact O-N 3.33Å; Y410-Q414 PolarHBondContact OH-NE2 3.34Å; D411-Q414 PolarHBondContact O-N 2.73Å; Q414-S416 VanDerWaalsContact C-N 3.34Å; Q414-S416 PolarHBondContact O-N 2.78Å; Q414-K417 PolarHBondContact O-N 2.87Å; Q414-A418 VanDerWaalsContact O-CB 3.32Å; Q414-A418 WeakPolarHBondContact O-CB 3.03Å; Q414-A418 PolarHBondContact O-N 2.96Å
415H96Very high91.9Very high6 Ų640.8 Ų40.83%0.02824%0.236CC..Hα-helixtrans-64.2-37.7174-72.2-56.6000112.1Q245 D411 A418 T419 L423Q245-H415 PolarHBondContact OE1-CE1 2.81Å; Q245-H415 PolarHBondContact OE1-NE2 3.26Å; D411-H415 PolarHBondContact O-CD2 2.99Å; D411-H415 VanDerWaalsContact O-CD2 3.23Å; D411-H415 PolarHBondContact O-N 3.41Å; H415-A418 PolarHBondContact O-N 2.86Å; H415-T419 WeakPolarHBondContact O-CB 3.43Å; H415-T419 WeakPolarHBondContact O-CG2 3.39Å; H415-T419 PolarHBondContact O-N 3.06Å; H415-T419 PolarHBondContact O-OG1 2.9Å; H415-L423 HydrophobicContact CB-CD1 3.65Å
416S95.1Very high91.8Very high25 Ų2545.8 Ų45.818%0.17526%0.258CS..Hα-helixtrans-61.7-45.7173.1-61.40000112.2L412 N413 Q414 G420 T421 L423L412-S416 VanDerWaalsContact O-CB 3.23Å; L412-S416 WeakPolarHBondContact O-CB 3.48Å; L412-S416 PolarHBondContact O-N 3.29Å; L412-S416 PolarHBondContact O-OG 3.47Å; N413-S416 PolarHBondContact O-N 3.47Å; Q414-S416 VanDerWaalsContact C-N 3.34Å; Q414-S416 PolarHBondContact O-N 2.78Å; S416-G420 VanDerWaalsContact O-CA 3.31Å; S416-G420 WeakPolarHBondContact O-CA 3.31Å; S416-G420 PolarHBondContact O-N 2.89Å; S416-T421 VanDerWaalsContact CA-O 3.24Å; S416-T421 WeakPolarHBondContact CA-O 3.47Å; S416-T421 VanDerWaalsContact CB-O 3.31Å; S416-T421 WeakPolarHBondContact CB-O 3.4Å; S416-T421 PolarHBondContact OG-O 3.33Å; S416-L423 VanDerWaalsContact OG-CB 3.29Å; S416-L423 WeakPolarHBondContact OG-CB 3.24Å; S416-L423 WeakPolarHBondContact OG-CG 3.19Å; S416-L423 PolarHBondContact OG-N 3.32Å
417K93.3Very high91.6Very high145 Ų14549.9 Ų49.963%0.6328%0.276SS*.Hα-helixtrans-65.9-39.7178.4-70163.2-164.7168.20112.7N413 Q414N413-K417 WeakPolarHBondContact O-CB 3.31Å; N413-K417 WeakPolarHBondContact O-CD 3.41Å; N413-K417 WeakPolarHBondContact O-CG 3.35Å; N413-K417 PolarHBondContact O-N 2.78Å; Q414-K417 PolarHBondContact O-N 2.87Å
418A93.4Very high91.8Very high64 Ų6454.6 Ų54.653%0.52931%0.307SS..Hα-helixtrans-74-31.9-177.700000113.2A134 Q414 H415A134-A418 HydrophobicContact CB-CB 3.62Å; Q414-A418 VanDerWaalsContact O-CB 3.32Å; Q414-A418 WeakPolarHBondContact O-CB 3.03Å; Q414-A418 PolarHBondContact O-N 2.96Å; H415-A418 PolarHBondContact O-N 2.86Å
419T95.3Very high91.8Very high87 Ų8755.6 Ų55.653%0.53431%0.309SS..Hα-helixtrans-103.3-17.1-176.263.70000114.4H415 T421H415-T419 WeakPolarHBondContact O-CB 3.43Å; H415-T419 WeakPolarHBondContact O-CG2 3.39Å; H415-T419 PolarHBondContact O-N 3.06Å; H415-T419 PolarHBondContact O-OG1 2.9Å; T419-T421 PolarHBondContact O-N 2.98Å; T419-T421 VanDerWaalsContact OG1-CB 3.31Å; T419-T421 WeakPolarHBondContact OG1-CB 3.36Å; T419-T421 PolarHBondContact OG1-N 3.13Å; T419-T421 VanDerWaalsContact OG1-N 3.09Å; T419-T421 PolarHBondContact OG1-OG1 3.45Å
420G91.1Very high92Very high68 Ų6862.1 Ų62.170%0.70134%0.341SS*.  trans70.13.6-16700000114.4S416S416-G420 VanDerWaalsContact O-CA 3.31Å; S416-G420 WeakPolarHBondContact O-CA 3.31Å; S416-G420 PolarHBondContact O-N 2.89Å
421T92.5Very high92.1Very high59 Ų5968 Ų6836%0.36237%0.37SS..  trans-86.6133.7-179.5-58.20000110.2S416 T419 L423S416-T421 VanDerWaalsContact CA-O 3.24Å; S416-T421 WeakPolarHBondContact CA-O 3.47Å; S416-T421 VanDerWaalsContact CB-O 3.31Å; S416-T421 WeakPolarHBondContact CB-O 3.4Å; S416-T421 PolarHBondContact OG-O 3.33Å; T419-T421 PolarHBondContact O-N 2.98Å; T419-T421 VanDerWaalsContact OG1-CB 3.31Å; T419-T421 WeakPolarHBondContact OG1-CB 3.36Å; T419-T421 PolarHBondContact OG1-N 3.13Å; T419-T421 VanDerWaalsContact OG1-N 3.09Å; T419-T421 PolarHBondContact OG1-OG1 3.45Å; T421-L423 HydrophobicContact CG2-CD2 4.12Å; T421-L423 PolarHBondContact O-N 3.26Å
422R91.9Very high92.1Very high137 Ų13771 Ų7152%0.51739%0.391SS..  trans-79.699.6-176.8-66.6171.464.9-149.50111.1Q252 V424 E512Q252-R422 PolarHBondContact NE2-O 3.09Å; R422-V424 HydrophobicContact CB-CG2 4.43Å; R422-V424 PolarHBondContact O-N 3Å; R422-E512 IonicContact CZ-OE1 2.99Å; R422-E512 IonicContact CZ-OE2 2.65Å; R422-E512 IonicContact NE-OE2 3.79Å; R422-E512 IonicContact NH2-OE1 2.68Å; R422-E512 PolarHBondContact NH2-OE1 2.71Å; R422-E512 IonicContact NH2-OE2 2.68Å; R422-E512 PolarHBondContact NH2-OE2 3.01Å
423L95.5Very high91.7Very high10 Ų1075.8 Ų75.85%0.05241%0.411CS..  trans-92.470.4175.2-51.3-178.2000110.6F251 Q252 L412 H415 S416 T421F251-L423 HydrophobicContact CD1-CB 3.94Å; F251-L423 HydrophobicContact CD1-CD2 4.44Å; F251-L423 HydrophobicContact CE1-CB 4.49Å; Q252-L423 HydrophobicContact CG-CD2 3.85Å; L412-L423 HydrophobicContact CB-CB 4.27Å; L412-L423 HydrophobicContact CD2-CB 4.25Å; L412-L423 HydrophobicContact CD2-CD1 4.15Å; H415-L423 HydrophobicContact CB-CD1 3.65Å; S416-L423 VanDerWaalsContact OG-CB 3.29Å; S416-L423 WeakPolarHBondContact OG-CB 3.24Å; S416-L423 WeakPolarHBondContact OG-CG 3.19Å; S416-L423 PolarHBondContact OG-N 3.32Å; T421-L423 HydrophobicContact CG2-CD2 4.12Å; T421-L423 PolarHBondContact O-N 3.26Å
424V95.2Very high91.4Very high30 Ų3077.6 Ų77.618%0.18242%0.424CS..  trans-127.1158.6-179.5-59.80000111L255 R422 I513 V514L255-V424 VanDerWaalsContact CD2-O 3.31Å; L255-V424 WeakPolarHBondContact CD2-O 3.26Å; R422-V424 HydrophobicContact CB-CG2 4.43Å; R422-V424 PolarHBondContact O-N 3Å; V424-I513 WeakPolarHBondContact CA-O 3.38Å; V424-V514 HydrophobicContact CG1-CG2 4.2Å
425A94.4Very high91Very high3 Ų377.9 Ų77.93%0.02543%0.429CS..EExtended strand (participates in β ladder)trans-103154.9163.700000110.3L255 L262 I513L255-A425 HydrophobicContact CD1-CB 3.98Å; L255-A425 HydrophobicContact CD2-CB 3.98Å; L262-A425 HydrophobicContact CD1-CB 3.85Å; L262-A425 HydrophobicContact CD2-CB 4.45Å; L262-A425 HydrophobicContact CG-CB 3.98Å; A425-I513 PolarHBondContact N-O 2.78Å; A425-I513 PolarHBondContact O-N 3.5Å
426E92.4Very high90.2Very high109 Ų10983.1 Ų83.151%0.50945%0.453SS..EExtended strand (participates in β ladder)trans-111.9129176.3-67.5-179.2-176.800109.4V510E426-V510 HydrophobicContact CB-CB 4.29Å; E426-V510 HydrophobicContact CB-CG1 4.49Å; E426-V510 HydrophobicContact CB-CG2 4.4Å; E426-V510 HydrophobicContact CG-CG2 4.38Å
427K89Confident89.4Confident87 Ų8783.7 Ų83.738%0.37846%0.456SS..EExtended strand (participates in β ladder)trans-115.5128.1176.7-177.9179.9-174.7176.10108.7D299 V510 T511 I513D299-K427 IonicContact OD2-NZ 3.16Å; D299-K427 PolarHBondContact OD2-NZ 3.12Å; K427-V510 CarbonylContact O-C 3.53Å; K427-V510 VanDerWaalsContact O-CA 3.23Å; K427-V510 WeakPolarHBondContact O-CA 3.46Å; K427-T511 HydrophobicContact CB-CG2 3.93Å; K427-T511 HydrophobicContact CD-CG2 4.47Å; K427-T511 HydrophobicContact CG-CG2 4.48Å; K427-T511 PolarHBondContact N-O 3.47Å; K427-T511 PolarHBondContact O-N 3.49Å; K427-I513 HydrophobicContact CB-CD1 3.7Å; K427-I513 HydrophobicContact CB-CG1 4.47Å; K427-I513 HydrophobicContact CD-CD1 3.59Å; K427-I513 HydrophobicContact CG-CD1 4.31Å
428P88.6Confident88.9Confident100 Ų10077.4 Ų77.465%0.64943%0.43SS*.EExtended strand (participates in β ladder)trans-60.4143175.426.8-34.2000110.5
429L88.4Confident88.3Confident55 Ų5578.4 Ų78.429%0.28842%0.424SS..EExtended strand (participates in β ladder)trans-83.3142.9168.5-68.6169.6000109.4E431 K433 V508 H509 T511L429-E431 WeakPolarHBondContact CB-O 3.47Å; L429-E431 PolarHBondContact O-N 2.8Å; L429-K433 HydrophobicContact CD1-CB 3.97Å; L429-V508 HydrophobicContact CD1-CG1 4.13Å; L429-V508 WeakPolarHBondContact CD1-O 3.4Å; L429-H509 PolarHBondContact N-O 3Å; L429-T511 HydrophobicContact CD2-CG2 4.19Å
430D86.7Confident87.7Confident175 Ų17574.6 Ų74.694%0.93640%0.401SS*.EExtended strand (participates in β ladder)trans-59.7-37.8178.8-56.4-53.2000111.6
431E87.3Confident87.4Confident166 Ų16673.7 Ų73.778%0.77638%0.379SS*.EExtended strand (participates in β ladder)trans-128.7139.3167.9-65.5-168.3169.500111L429 K433L429-E431 WeakPolarHBondContact CB-O 3.47Å; L429-E431 PolarHBondContact O-N 2.8Å; E431-K433 PolarHBondContact O-N 2.91Å; E431-K433 VanDerWaalsContact O-N 3.15Å
432P88.5Confident87.2Confident67 Ų6771.9 Ų71.944%0.43537%0.369SS..EExtended strand (participates in β ladder)trans-65.2113.3180-22.834.4000113.2T434 V507 V508 H509P432-T434 PolarHBondContact O-N 2.6Å; P432-V507 HydrophobicContact CB-CG1 3.48Å; P432-V507 VanDerWaalsContact CB-CG1 3.48Å; P432-V508 CarbonylContact C-O 3.56Å; P432-V508 WeakPolarHBondContact CA-O 3.36Å; P432-H509 WeakPolarHBondContact CG-ND1 3.47Å
433K86.4Confident87.1Confident101 Ų10168.8 Ų68.844%0.43936%0.362SS..EExtended strand (participates in β ladder)trans-78.9114.3-174.2-161.1162.8-165.8157.40110.5L429 E431 V435 V508 E1209L429-K433 HydrophobicContact CD1-CB 3.97Å; E431-K433 PolarHBondContact O-N 2.91Å; E431-K433 VanDerWaalsContact O-N 3.15Å; K433-V435 HydrophobicContact CG-CG2 4.47Å; K433-V435 PolarHBondContact O-N 2.79Å; K433-V508 PolarHBondContact N-O 3.49Å; K433-V508 WeakPolarHBondContact O-CB 3.11Å; K433-V508 PolarHBondContact O-N 2.88Å; K433-E1209 IonicContact NZ-OE1 3Å; K433-E1209 PolarHBondContact NZ-OE1 2.74Å; K433-E1209 IonicContact NZ-OE2 2.73Å
434T86.5Confident86.6Confident84 Ų8475.4 Ų75.452%0.51539%0.39SS..EExtended strand (participates in β ladder)trans-76.9103.9174.8-60.80000110P432 K505P432-T434 PolarHBondContact O-N 2.6Å; T434-K505 HydrophobicContact CG2-CB 3.87Å; T434-K505 HydrophobicContact CG2-CD 3.97Å; T434-K505 HydrophobicContact CG2-CG 4.11Å
435V83Confident86.2Confident57 Ų5775.9 Ų75.935%0.34540%0.401SS..EExtended strand (participates in β ladder)trans-95.3132.2179.2-177.70000109.6K433 V437 N506 V508K433-V435 HydrophobicContact CG-CG2 4.47Å; K433-V435 PolarHBondContact O-N 2.79Å; V435-V437 HydrophobicContact CG1-CG2 4.28Å; V435-V437 PolarHBondContact O-N 2.98Å; V435-N506 PolarHBondContact N-O 2.95Å; V435-N506 PolarHBondContact O-N 3.17Å; V435-V508 HydrophobicContact CB-CG2 4.18Å; V435-V508 HydrophobicContact CG2-CB 4.3Å; V435-V508 HydrophobicContact CG2-CG2 3.7Å
436Q79.6Confident85.9Confident116 Ų11678.4 Ų78.454%0.54241%0.413SS..EExtended strand (participates in β ladder)trans-70.6117.3165.2-69.1-86.746.200107.9
437V78.9Confident85.6Confident38 Ų3873.2 Ų73.223%0.2339%0.388CS..EExtended strand (participates in β ladder)trans-109.7121.8174.3-178.60000108V435 E439 E503 Y504 N506V435-V437 HydrophobicContact CG1-CG2 4.28Å; V435-V437 PolarHBondContact O-N 2.98Å; V437-E439 HydrophobicContact CG1-CB 4.32Å; V437-E503 CarbonylContact O-C 3.53Å; V437-E503 WeakPolarHBondContact O-CA 3.4Å; V437-Y504 HydrophobicContact CB-CD1 4.34Å; V437-Y504 HydrophobicContact CB-CD2 4.36Å; V437-Y504 HydrophobicContact CB-CE1 4.08Å; V437-Y504 HydrophobicContact CB-CE2 4.08Å; V437-Y504 HydrophobicContact CB-CG 4.5Å; V437-Y504 HydrophobicContact CG1-CD1 4.44Å; V437-Y504 HydrophobicContact CG1-CE1 3.74Å; V437-Y504 HydrophobicContact CG1-CE2 4.25Å; V437-Y504 HydrophobicContact CG2-CE2 4.45Å; V437-Y504 PolarHBondContact N-O 3.07Å; V437-Y504 PolarHBondContact O-N 2.77Å; V437-N506 HydrophobicContact CG2-CB 3.59Å
438C81.3Confident85.5Confident13 Ų1370.6 Ų70.69%0.08839%0.386CS..EExtended strand (participates in β ladder)trans-114.197.6171.1-166.50000108.2L467 C470 H471 I501 K502 E503C438-L467 HydrophobicContact CB-CD2 3.85Å; C438-L467 HydrophobicContact CB-CG 4.46Å; C438-C470 HydrophobicContact CB-CB 4.05Å; C438-C470 PolarHBondContact O-SG 2.95Å; C438-C470 VanDerWaalsContact O-SG 3.4Å; C438-H471 VanDerWaalsContact SG-CD2 3.52Å; C438-I501 WeakPolarHBondContact SG-CG2 3.46Å; C438-K502 WeakPolarHBondContact CA-O 3.38Å; C438-E503 HydrophobicContact CB-CG 4.17Å; C438-E503 WeakPolarHBondContact SG-CG 3.47Å
439E81.1Confident85.4Confident85 Ų8572.3 Ų72.340%0.39738%0.383SS..EExtended strand (participates in β ladder)trans-101.7123.1-172.9-172-175.3169.600110.6V437 I441 I501 K502 Y504V437-E439 HydrophobicContact CG1-CB 4.32Å; E439-I441 HydrophobicContact CG-CG1 3.98Å; E439-I441 PolarHBondContact O-N 2.81Å; E439-I501 WeakPolarHBondContact O-CA 3.48Å; E439-K502 PolarHBondContact N-O 2.79Å; E439-K502 PolarHBondContact O-N 3.22Å; E439-Y504 HydrophobicContact CB-CE1 4.16Å; E439-Y504 PolarHBondContact OE2-OH 3.18Å
440C83.9Confident85.4Confident7 Ų773.3 Ų73.35%0.04739%0.392CS..EExtended strand (participates in β ladder)trans-77.8106.4166-770000109.6P442 L462 V499C440-P442 WeakPolarHBondContact O-CD 3.32Å; C440-L462 HydrophobicContact CB-CB 4.35Å; C440-L462 HydrophobicContact CB-CD2 4.11Å; C440-V499 HydrophobicContact CB-CG1 4.08Å
441I85.3Confident85.3Confident48 Ų4867 Ų6725%0.24636%0.356CS..EExtended strand (participates in β ladder)trans-93.1104.9177.5-59.2-178.5000109.3E439 Q500 K502E439-I441 HydrophobicContact CG-CG1 3.98Å; E439-I441 PolarHBondContact O-N 2.81Å; I441-Q500 WeakPolarHBondContact CA-O 3.47Å; I441-Q500 WeakPolarHBondContact CB-O 3.35Å; I441-Q500 PolarHBondContact N-O 2.98Å; I441-Q500 PolarHBondContact O-N 2.8Å; I441-K502 HydrophobicContact CD1-CB 4.42Å; I441-K502 HydrophobicContact CD1-CD 3.54Å; I441-K502 HydrophobicContact CD1-CG 3.92Å
442P87.3Confident85.3Confident22 Ų2269 Ų6914%0.14336%0.357CS..EExtended strand (participates in β ladder)trans-73.9127179.827.6-34.2000112.1C440 K444 L447 I459 L462C440-P442 WeakPolarHBondContact O-CD 3.32Å; P442-K444 VanDerWaalsContact C-N 3.31Å; P442-K444 PolarHBondContact O-N 2.66Å; P442-L447 HydrophobicContact CB-CD1 3.45Å; P442-L447 VanDerWaalsContact CB-CD1 3.45Å; P442-I459 HydrophobicContact CB-CG1 3.93Å; P442-I459 HydrophobicContact CG-CG1 4.18Å; P442-I459 HydrophobicContact CG-CG2 4.22Å; P442-L462 HydrophobicContact CB-CD1 4.1Å
443N89Confident84.9Confident72 Ų7268.9 Ų68.939%0.38537%0.368SS..  trans-72.688.9164.3-175.6-11.2000109.3G445 E446 L447 S497 M498N443-G445 PolarHBondContact O-N 2.89Å; N443-G445 PolarHBondContact OD1-N 2.85Å; N443-E446 WeakPolarHBondContact ND2-CG 3.34Å; N443-E446 PolarHBondContact O-N 2.59Å; N443-E446 VanDerWaalsContact O-N 3.15Å; N443-E446 PolarHBondContact OD1-N 2.9Å; N443-L447 PolarHBondContact O-N 2.95Å; N443-S497 VanDerWaalsContact CB-O 3.24Å; N443-S497 WeakPolarHBondContact CB-O 3.39Å; N443-S497 PolarHBondContact ND2-O 2.98Å; N443-M498 WeakPolarHBondContact CB-O 3.47Å; N443-M498 PolarHBondContact N-O 3.09Å
444K86.8Confident84.8Confident148 Ų14868 Ų6864%0.64337%0.365SS*.Hα-helixtrans-52.5-29.6-179.9-58.1-175.1-179.11780112.8P442 G448 I459P442-K444 VanDerWaalsContact C-N 3.31Å; P442-K444 PolarHBondContact O-N 2.66Å; K444-G448 PolarHBondContact O-N 2.91Å; K444-I459 HydrophobicContact CB-CD1 4.46Å; K444-I459 HydrophobicContact CG-CD1 4.03Å
445G85.6Confident84.8Confident40 Ų4064.3 Ų64.341%0.41234%0.343SS..Hα-helixtrans-68.9-52177.100000113.3N443 K449N443-G445 PolarHBondContact O-N 2.89Å; N443-G445 PolarHBondContact OD1-N 2.85Å; G445-K449 VanDerWaalsContact O-CG 3.29Å; G445-K449 WeakPolarHBondContact O-CG 3.5Å; G445-K449 PolarHBondContact O-N 3.17Å; G445-K449 VanDerWaalsContact O-N 3.12Å
446E87.3Confident84.9Confident56 Ų5666 Ų6626%0.26235%0.346SS..Hα-helixtrans-72-40.8179-68-51135.200112.5N443 G448 K449 V450 M498N443-E446 WeakPolarHBondContact ND2-CG 3.34Å; N443-E446 PolarHBondContact O-N 2.59Å; N443-E446 VanDerWaalsContact O-N 3.15Å; N443-E446 PolarHBondContact OD1-N 2.9Å; E446-G448 VanDerWaalsContact C-N 3.31Å; E446-G448 PolarHBondContact O-N 2.76Å; E446-K449 PolarHBondContact O-N 2.8Å; E446-K449 IonicContact OE1-NZ 3.73Å; E446-K449 PolarHBondContact OE1-NZ 2.74Å; E446-K449 WeakPolarHBondContact OE2-CD 3.38Å; E446-K449 IonicContact OE2-NZ 2.69Å; E446-V450 PolarHBondContact O-N 2.79Å; E446-M498 HydrophobicContact CB-CG 4.29Å
447L87.3Confident85.2Confident0 Ų062.5 Ų62.50%033%0.333CS..Hα-helixtrans-59.6-42.7174.8-70.3170.4000111.3P442 N443 V450 F451 A455 I458 I459 L462 L494 M498P442-L447 HydrophobicContact CB-CD1 3.45Å; P442-L447 VanDerWaalsContact CB-CD1 3.45Å; N443-L447 PolarHBondContact O-N 2.95Å; L447-V450 PolarHBondContact O-N 3.49Å; L447-F451 HydrophobicContact CD2-CD2 3.76Å; L447-F451 HydrophobicContact CD2-CE2 3.84Å; L447-F451 PolarHBondContact O-N 3.03Å; L447-A455 HydrophobicContact CB-CB 4.25Å; L447-A455 WeakPolarHBondContact O-CB 3.35Å; L447-I458 HydrophobicContact CD2-CG2 4.01Å; L447-I459 HydrophobicContact CD1-CD1 4.49Å; L447-I459 HydrophobicContact CD1-CG1 3.92Å; L447-L462 HydrophobicContact CD1-CD1 4.22Å; L447-L494 HydrophobicContact CD2-CD2 3.82Å; L447-M498 HydrophobicContact CD2-CB 3.88Å; L447-M498 HydrophobicContact CD2-CG 4.19Å; L447-M498 HydrophobicContact CG-CB 4.26Å
448G86Confident85.6Confident32 Ų3260.8 Ų60.833%0.3332%0.322SS..Hα-helixtrans-63.4-39175.600000113.7K444 E446 R452K444-G448 PolarHBondContact O-N 2.91Å; E446-G448 VanDerWaalsContact C-N 3.31Å; E446-G448 PolarHBondContact O-N 2.76Å; G448-R452 VanDerWaalsContact O-CA 3.32Å; G448-R452 WeakPolarHBondContact O-CA 3.48Å; G448-R452 PolarHBondContact O-N 3.5Å
449K87.5Confident85.8Confident136 Ų13661.9 Ų61.959%0.59133%0.327SS*.Hα-helixtrans-64.2-46.8175.6-72.6166.7-171176.40112.3G445 E446G445-K449 VanDerWaalsContact O-CG 3.29Å; G445-K449 WeakPolarHBondContact O-CG 3.5Å; G445-K449 PolarHBondContact O-N 3.17Å; G445-K449 VanDerWaalsContact O-N 3.12Å; E446-K449 PolarHBondContact O-N 2.8Å; E446-K449 IonicContact OE1-NZ 3.73Å; E446-K449 PolarHBondContact OE1-NZ 2.74Å; E446-K449 WeakPolarHBondContact OE2-CD 3.38Å; E446-K449 IonicContact OE2-NZ 2.69Å
450V87.3Confident86Confident77 Ų7763.8 Ų63.847%0.46734%0.336SS..Hα-helixtrans-84.7-47.9-170.3178.20000112.2E446 L447 M498E446-V450 PolarHBondContact O-N 2.79Å; L447-V450 PolarHBondContact O-N 3.49Å; V450-M498 HydrophobicContact CB-CE 4.03Å; V450-M498 HydrophobicContact CG1-CE 3.9Å; V450-M498 HydrophobicContact CG2-CE 3.8Å
451F86.3Confident86.1Confident42 Ų4266.5 Ų66.518%0.18435%0.348CS..Hα-helixtrans-101.7-11.6-172.4-58-71.2000114.4L447 G453 E454 A455 I458 V492 L494 M498L447-F451 HydrophobicContact CD2-CD2 3.76Å; L447-F451 HydrophobicContact CD2-CE2 3.84Å; L447-F451 PolarHBondContact O-N 3.03Å; F451-G453 PolarHBondContact O-N 3.41Å; F451-E454 HydrophobicContact CB-CB 4.32Å; F451-E454 PolarHBondContact O-N 3.44Å; F451-A455 HydrophobicContact CB-CB 4.18Å; F451-I458 HydrophobicContact CB-CD1 3.6Å; F451-I458 HydrophobicContact CD1-CD1 3.83Å; F451-I458 HydrophobicContact CD2-CD1 3.75Å; F451-I458 HydrophobicContact CE1-CD1 4.48Å; F451-I458 HydrophobicContact CE2-CD1 4.39Å; F451-I458 HydrophobicContact CG-CD1 3.43Å; F451-I458 VanDerWaalsContact CG-CD1 3.43Å; F451-V492 HydrophobicContact CD1-CG1 4.21Å; F451-V492 HydrophobicContact CE1-CG1 3.6Å; F451-V492 HydrophobicContact CE2-CG1 4.21Å; F451-V492 HydrophobicContact CZ-CG1 3.6Å; F451-L494 HydrophobicContact CE2-CD2 4.3Å; F451-M498 HydrophobicContact CE2-CE 3.93Å; F451-M498 HydrophobicContact CE2-SD 3.82Å; F451-M498 HydrophobicContact CZ-CE 4.26Å; F451-M498 HydrophobicContact CZ-SD 4.3Å
452R86.4Confident86.1Confident208 Ų20864.4 Ų64.479%0.78534%0.337SS*.THydrogen-bonded Turntrans51.3-106.8175.2-56.9-180-176.9-176.2-0112.2G448 A455G448-R452 VanDerWaalsContact O-CA 3.32Å; G448-R452 WeakPolarHBondContact O-CA 3.48Å; G448-R452 PolarHBondContact O-N 3.5Å; R452-A455 WeakPolarHBondContact O-CB 3.47Å; R452-A455 PolarHBondContact O-N 2.88Å
453G80.4Confident85.8Confident65 Ų6567.6 Ų67.667%0.6736%0.36SS*.THydrogen-bonded Turntrans-66.4-35.5179.400000113.7F451 A455F451-G453 PolarHBondContact O-N 3.41Å; G453-A455 PolarHBondContact O-N 3.21Å
454E84.4Confident85.5Confident83 Ų8367.7 Ų67.739%0.38837%0.366SS..Hα-helixtrans-74-15.8179.8-59.4-170.9155.800112.3F451 K456 T457 I458 K490F451-E454 HydrophobicContact CB-CB 4.32Å; F451-E454 PolarHBondContact O-N 3.44Å; E454-K456 PolarHBondContact O-N 3.27Å; E454-T457 PolarHBondContact O-N 3.15Å; E454-T457 VanDerWaalsContact O-N 3.16Å; E454-I458 HydrophobicContact CB-CD1 4.25Å; E454-I458 WeakPolarHBondContact O-CD1 3.36Å; E454-I458 VanDerWaalsContact O-CG1 3.32Å; E454-I458 WeakPolarHBondContact O-CG1 3.29Å; E454-I458 PolarHBondContact O-N 3.45Å; E454-K490 IonicContact OE1-NZ 2.73Å; E454-K490 PolarHBondContact OE1-NZ 3.24Å
455A86Confident85.3Confident6 Ų661.9 Ų61.95%0.0534%0.342CS..Hα-helixtrans-57.6-34179.100000112.7L447 F451 R452 G453 I459L447-A455 HydrophobicContact CB-CB 4.25Å; L447-A455 WeakPolarHBondContact O-CB 3.35Å; F451-A455 HydrophobicContact CB-CB 4.18Å; R452-A455 WeakPolarHBondContact O-CB 3.47Å; R452-A455 PolarHBondContact O-N 2.88Å; G453-A455 PolarHBondContact O-N 3.21Å; A455-I459 WeakPolarHBondContact O-CB 3.32Å; A455-I459 WeakPolarHBondContact O-CD1 3.47Å; A455-I459 WeakPolarHBondContact O-CG1 3.25Å; A455-I459 PolarHBondContact O-N 2.95Å
456K84.8Confident85.1Confident92 Ų9263.7 Ų63.740%0.435%0.345SS..Hα-helixtrans-65.4-46.7177.8-173.5177.3179.6-179.40111.5E454 I459 Q460 S1053E454-K456 PolarHBondContact O-N 3.27Å; K456-I459 PolarHBondContact O-N 3.12Å; K456-Q460 PolarHBondContact O-N 3.17Å; K456-S1053 VanDerWaalsContact NZ-CB 3.29Å; K456-S1053 PolarHBondContact NZ-O 3.48Å; K456-S1053 PolarHBondContact NZ-OG 2.9Å
457T87Confident84.7Confident43 Ų4364.6 Ų64.626%0.26435%0.351SS..Hα-helixtrans-65.7-40.5177.5-28.60000111.4E454 Q460 Q461 V487E454-T457 PolarHBondContact O-N 3.15Å; E454-T457 VanDerWaalsContact O-N 3.16Å; T457-Q460 PolarHBondContact O-N 3.34Å; T457-Q461 WeakPolarHBondContact O-CB 3.4Å; T457-Q461 PolarHBondContact O-N 2.84Å; T457-V487 HydrophobicContact CG2-CG1 3.68Å
458I87Confident84.4Confident1 Ų170.7 Ų70.71%0.00538%0.384CS..Hα-helixtrans-61.6-44.3174.1-67.5158.5000110.9L447 F451 E454 Q461 L462 L485 V487 V492 L494L447-I458 HydrophobicContact CD2-CG2 4.01Å; F451-I458 HydrophobicContact CB-CD1 3.6Å; F451-I458 HydrophobicContact CD1-CD1 3.83Å; F451-I458 HydrophobicContact CD2-CD1 3.75Å; F451-I458 HydrophobicContact CE1-CD1 4.48Å; F451-I458 HydrophobicContact CE2-CD1 4.39Å; F451-I458 HydrophobicContact CG-CD1 3.43Å; F451-I458 VanDerWaalsContact CG-CD1 3.43Å; E454-I458 HydrophobicContact CB-CD1 4.25Å; E454-I458 WeakPolarHBondContact O-CD1 3.36Å; E454-I458 VanDerWaalsContact O-CG1 3.32Å; E454-I458 WeakPolarHBondContact O-CG1 3.29Å; E454-I458 PolarHBondContact O-N 3.45Å; I458-Q461 PolarHBondContact O-N 2.95Å; I458-L462 HydrophobicContact CG2-CD1 3.8Å; I458-L462 HydrophobicContact CG2-CG 4.37Å; I458-L462 WeakPolarHBondContact O-CB 3.45Å; I458-L462 VanDerWaalsContact O-CG 3.27Å; I458-L462 WeakPolarHBondContact O-CG 3.46Å; I458-L462 PolarHBondContact O-N 3.23Å; I458-L485 HydrophobicContact CG2-CD2 4.38Å; I458-V487 HydrophobicContact CG1-CG2 4.05Å; I458-V492 HydrophobicContact CD1-CG1 3.77Å; I458-V492 HydrophobicContact CD1-CG2 4.39Å; I458-V492 HydrophobicContact CG1-CG1 4.21Å; I458-V492 HydrophobicContact CG1-CG2 4.39Å; I458-L494 HydrophobicContact CG2-CD2 4.21Å
459I86Confident84.3Confident37 Ų3773.4 Ų73.419%0.1939%0.388CS..Hα-helixtrans-62.5-42.5176.6-73.8162.9000111.4P442 K444 L447 A455 K456 S463P442-I459 HydrophobicContact CB-CG1 3.93Å; P442-I459 HydrophobicContact CG-CG1 4.18Å; P442-I459 HydrophobicContact CG-CG2 4.22Å; K444-I459 HydrophobicContact CB-CD1 4.46Å; K444-I459 HydrophobicContact CG-CD1 4.03Å; L447-I459 HydrophobicContact CD1-CD1 4.49Å; L447-I459 HydrophobicContact CD1-CG1 3.92Å; A455-I459 WeakPolarHBondContact O-CB 3.32Å; A455-I459 WeakPolarHBondContact O-CD1 3.47Å; A455-I459 WeakPolarHBondContact O-CG1 3.25Å; A455-I459 PolarHBondContact O-N 2.95Å; K456-I459 PolarHBondContact O-N 3.12Å; I459-S463 WeakPolarHBondContact O-CB 3.42Å; I459-S463 PolarHBondContact O-N 2.99Å; I459-S463 PolarHBondContact O-OG 2.94Å
460Q83.8Confident84.1Confident125 Ų12567.1 Ų67.158%0.58436%0.361SS*.Hα-helixtrans-62.9-47.1175.5-73.3-178.4-78.500111.5K456 T457 L462 S463 S464K456-Q460 PolarHBondContact O-N 3.17Å; T457-Q460 PolarHBondContact O-N 3.34Å; Q460-L462 PolarHBondContact O-N 3.12Å; Q460-S463 PolarHBondContact O-N 3.16Å; Q460-S463 VanDerWaalsContact O-N 3.12Å; Q460-S464 PolarHBondContact O-N 2.68Å; Q460-S464 VanDerWaalsContact O-N 3.14Å; Q460-S464 PolarHBondContact O-OG 2.98Å
461Q85.7Confident83.9Confident64 Ų6466.7 Ų66.730%0.29935%0.354SS..Hα-helixtrans-62.8-41.1179.1-164.872.219.700112.1T457 I458 S463 S464 L465 L485 V487T457-Q461 WeakPolarHBondContact O-CB 3.4Å; T457-Q461 PolarHBondContact O-N 2.84Å; I458-Q461 PolarHBondContact O-N 2.95Å; Q461-S463 VanDerWaalsContact C-N 3.27Å; Q461-S463 PolarHBondContact O-N 3.15Å; Q461-S464 PolarHBondContact O-N 2.87Å; Q461-S464 PolarHBondContact O-OG 3.46Å; Q461-S464 VanDerWaalsContact O-OG 3.08Å; Q461-L465 WeakPolarHBondContact O-CG 3.5Å; Q461-L465 PolarHBondContact O-N 2.89Å; Q461-L485 HydrophobicContact CB-CD2 4.28Å; Q461-L485 HydrophobicContact CG-CD1 4.14Å; Q461-L485 HydrophobicContact CG-CD2 4.26Å; Q461-L485 HydrophobicContact CG-CG 4.38Å; Q461-V487 HydrophobicContact CB-CG2 4.16Å; Q461-V487 HydrophobicContact CG-CG2 4.22Å
462L86.3Confident83.8Confident3 Ų367.9 Ų67.92%0.01637%0.366CS..Hα-helixtrans-62.6-33.4174.4-76.3167.9000112.9C440 P442 L447 I458 Q460 S464 L465 L473 L485 L494 V499C440-L462 HydrophobicContact CB-CB 4.35Å; C440-L462 HydrophobicContact CB-CD2 4.11Å; P442-L462 HydrophobicContact CB-CD1 4.1Å; L447-L462 HydrophobicContact CD1-CD1 4.22Å; I458-L462 HydrophobicContact CG2-CD1 3.8Å; I458-L462 HydrophobicContact CG2-CG 4.37Å; I458-L462 WeakPolarHBondContact O-CB 3.45Å; I458-L462 VanDerWaalsContact O-CG 3.27Å; I458-L462 WeakPolarHBondContact O-CG 3.46Å; I458-L462 PolarHBondContact O-N 3.23Å; Q460-L462 PolarHBondContact O-N 3.12Å; L462-S464 VanDerWaalsContact C-N 3.29Å; L462-L465 HydrophobicContact CD2-CD1 4.24Å; L462-L473 HydrophobicContact CD2-CD2 3.8Å; L462-L485 HydrophobicContact CD2-CD2 3.88Å; L462-L485 HydrophobicContact CG-CD2 3.83Å; L462-L494 HydrophobicContact CD1-CD1 4.45Å; L462-L494 HydrophobicContact CD2-CD1 3.9Å; L462-V499 HydrophobicContact CD1-CG2 3.52Å; L462-V499 HydrophobicContact CD2-CG1 4.43Å; L462-V499 HydrophobicContact CD2-CG2 4Å; L462-V499 HydrophobicContact CG-CG2 4.44Å
463S80.8Confident83.7Confident90 Ų9058.4 Ų58.463%0.62933%0.331SS*.Hα-helixtrans-81-8.7177.9-510000113.1I459 Q460 Q461I459-S463 WeakPolarHBondContact O-CB 3.42Å; I459-S463 PolarHBondContact O-N 2.99Å; I459-S463 PolarHBondContact O-OG 2.94Å; Q460-S463 PolarHBondContact O-N 3.16Å; Q460-S463 VanDerWaalsContact O-N 3.12Å; Q461-S463 VanDerWaalsContact C-N 3.27Å; Q461-S463 PolarHBondContact O-N 3.15Å
464S82.2Confident83.9Confident74 Ų7456 Ų5652%0.51730%0.303SS..THydrogen-bonded Turntrans-113.18178.968.20000113.8Q460 Q461 L462Q460-S464 PolarHBondContact O-N 2.68Å; Q460-S464 VanDerWaalsContact O-N 3.14Å; Q460-S464 PolarHBondContact O-OG 2.98Å; Q461-S464 PolarHBondContact O-N 2.87Å; Q461-S464 PolarHBondContact O-OG 3.46Å; Q461-S464 VanDerWaalsContact O-OG 3.08Å; L462-S464 VanDerWaalsContact C-N 3.29Å
465L82.5Confident83.9Confident25 Ų2556.2 Ų56.213%0.13131%0.307CS..  trans-67.9140.4176.1-67.6-172.7000111.1Q461 L462 E469 C470 L473 L485Q461-L465 WeakPolarHBondContact O-CG 3.5Å; Q461-L465 PolarHBondContact O-N 2.89Å; L462-L465 HydrophobicContact CD2-CD1 4.24Å; L465-E469 HydrophobicContact CB-CB 4.08Å; L465-E469 HydrophobicContact CD2-CB 4.07Å; L465-E469 HydrophobicContact CG-CB 4.44Å; L465-C470 VanDerWaalsContact CB-SG 3.58Å; L465-L473 HydrophobicContact CD1-CD2 4.11Å; L465-L485 HydrophobicContact CD1-CD1 4.32Å; L465-L485 HydrophobicContact CD2-CD1 3.93Å
466T81.8Confident83.9Confident78 Ų7859 Ų5948%0.47932%0.319SS..  trans-71.3164.3168.960.70000111.5D468 E469 C470T466-D468 VanDerWaalsContact C-N 3.27Å; T466-D468 PolarHBondContact O-N 3.01Å; T466-E469 WeakPolarHBondContact CB-OE2 3.28Å; T466-E469 WeakPolarHBondContact CG2-OE2 3.17Å; T466-E469 PolarHBondContact N-OE2 3.28Å; T466-E469 PolarHBondContact O-N 3.48Å; T466-E469 VanDerWaalsContact O-N 3.12Å; T466-E469 VanDerWaalsContact OG1-CG 3.29Å; T466-E469 WeakPolarHBondContact OG1-CG 3.45Å; T466-E469 PolarHBondContact OG1-N 2.88Å; T466-E469 PolarHBondContact OG1-OE2 2.85Å; T466-C470 PolarHBondContact O-N 3.02Å
467L78.8Confident83.9Confident75 Ų7555 Ų5539%0.39330%0.302SS..Hα-helixtrans-56.1-41.9-179.7-135.9167.8000111.8C438 C470 H471C438-L467 HydrophobicContact CB-CD2 3.85Å; C438-L467 HydrophobicContact CB-CG 4.46Å; L467-C470 PolarHBondContact O-N 2.88Å; L467-H471 VanDerWaalsContact CD2-NE2 3.34Å; L467-H471 WeakPolarHBondContact CD2-NE2 3.31Å; L467-H471 PolarHBondContact O-CD2 3.38Å; L467-H471 VanDerWaalsContact O-CD2 3.24Å; L467-H471 PolarHBondContact O-N 2.93Å
468D81.1Confident83.7Confident129 Ų12959 Ų5969%0.6932%0.316SS*.Hα-helixtrans-70.8-35.8177.4-64.7-52000113T466 H471 C472T466-D468 VanDerWaalsContact C-N 3.27Å; T466-D468 PolarHBondContact O-N 3.01Å; D468-H471 PolarHBondContact O-N 3.05Å; D468-C472 WeakPolarHBondContact O-CB 3.44Å; D468-C472 PolarHBondContact O-N 3.35Å
469E83.4Confident83.5Confident88 Ų8865.3 Ų65.341%0.41135%0.349SS..Hα-helixtrans-67.9-41.6173.4-72.5169116.100111.7L465 T466 H471 C472 L473L465-E469 HydrophobicContact CB-CB 4.08Å; L465-E469 HydrophobicContact CD2-CB 4.07Å; L465-E469 HydrophobicContact CG-CB 4.44Å; T466-E469 WeakPolarHBondContact CB-OE2 3.28Å; T466-E469 WeakPolarHBondContact CG2-OE2 3.17Å; T466-E469 PolarHBondContact N-OE2 3.28Å; T466-E469 PolarHBondContact O-N 3.48Å; T466-E469 VanDerWaalsContact O-N 3.12Å; T466-E469 VanDerWaalsContact OG1-CG 3.29Å; T466-E469 WeakPolarHBondContact OG1-CG 3.45Å; T466-E469 PolarHBondContact OG1-N 2.88Å; T466-E469 PolarHBondContact OG1-OE2 2.85Å; E469-H471 VanDerWaalsContact C-N 3.33Å; E469-H471 PolarHBondContact O-N 3.17Å; E469-C472 WeakPolarHBondContact O-CB 3.16Å; E469-C472 PolarHBondContact O-N 2.82Å; E469-L473 WeakPolarHBondContact O-CB 3.46Å; E469-L473 PolarHBondContact O-N 2.92Å
470C83.5Confident83.3Confident4 Ų468.8 Ų68.83%0.02737%0.372CS..Hα-helixtrans-59.4-42.8171.2-74.80000111.5C438 L465 T466 L467 L473 N474C438-C470 HydrophobicContact CB-CB 4.05Å; C438-C470 PolarHBondContact O-SG 2.95Å; C438-C470 VanDerWaalsContact O-SG 3.4Å; L465-C470 VanDerWaalsContact CB-SG 3.58Å; T466-C470 PolarHBondContact O-N 3.02Å; L467-C470 PolarHBondContact O-N 2.88Å; C470-L473 PolarHBondContact O-N 2.92Å; C470-N474 WeakPolarHBondContact O-CB 3.03Å; C470-N474 PolarHBondContact O-N 3.4Å
471H83.5Confident83Confident69 Ų6964.9 Ų64.932%0.31937%0.366SS..Hα-helixtrans-63.9-41.2174.2-77.7-159.1000112.1C438 L467 D468 E469 N474 N475C438-H471 VanDerWaalsContact SG-CD2 3.52Å; L467-H471 VanDerWaalsContact CD2-NE2 3.34Å; L467-H471 WeakPolarHBondContact CD2-NE2 3.31Å; L467-H471 PolarHBondContact O-CD2 3.38Å; L467-H471 VanDerWaalsContact O-CD2 3.24Å; L467-H471 PolarHBondContact O-N 2.93Å; D468-H471 PolarHBondContact O-N 3.05Å; E469-H471 VanDerWaalsContact C-N 3.33Å; E469-H471 PolarHBondContact O-N 3.17Å; H471-N474 PolarHBondContact O-N 2.9Å; H471-N475 WeakPolarHBondContact O-CB 3.49Å; H471-N475 VanDerWaalsContact O-CG 3.29Å; H471-N475 PolarHBondContact O-N 3.07Å; H471-N475 PolarHBondContact O-ND2 3.04Å; H471-N475 VanDerWaalsContact O-ND2 3.1Å
472C84.3Confident82.9Confident66 Ų6666.9 Ų66.945%0.44637%0.373SS..Hα-helixtrans-62.1-45.6174.9-172.90000111.5D468 E469 N474 N475 Q476D468-C472 WeakPolarHBondContact O-CB 3.44Å; D468-C472 PolarHBondContact O-N 3.35Å; E469-C472 WeakPolarHBondContact O-CB 3.16Å; E469-C472 PolarHBondContact O-N 2.82Å; C472-N474 VanDerWaalsContact C-N 3.33Å; C472-N474 PolarHBondContact O-N 3.4Å; C472-N475 PolarHBondContact O-N 3.3Å; C472-Q476 WeakPolarHBondContact O-CG 3.46Å; C472-Q476 PolarHBondContact O-N 3.09Å
473L84.6Confident82.9Confident9 Ų966.7 Ų66.75%0.04737%0.373CS..Hα-helixtrans-62.1-40.2176.7-153.979000111.2L462 L465 E469 C470 Q476 L477 A483 L494 I501L462-L473 HydrophobicContact CD2-CD2 3.8Å; L465-L473 HydrophobicContact CD1-CD2 4.11Å; E469-L473 WeakPolarHBondContact O-CB 3.46Å; E469-L473 PolarHBondContact O-N 2.92Å; C470-L473 PolarHBondContact O-N 2.92Å; L473-Q476 PolarHBondContact O-N 2.64Å; L473-L477 WeakPolarHBondContact O-CG 3.27Å; L473-L477 PolarHBondContact O-N 3.07Å; L473-A483 HydrophobicContact CD1-CB 3.63Å; L473-A483 HydrophobicContact CG-CB 3.83Å; L473-L494 HydrophobicContact CD2-CD1 4.33Å; L473-I501 HydrophobicContact CB-CD1 3.93Å; L473-I501 HydrophobicContact CD2-CD1 4.12Å; L473-I501 HydrophobicContact CG-CD1 4.27Å
474N85.3Confident83.1Confident14 Ų1464.9 Ų64.98%0.07536%0.358CS..Hα-helixtrans-65.9-42.3177-155.62.7000112.4C470 H471 C472 Q476 L477 K478 I501 E503C470-N474 WeakPolarHBondContact O-CB 3.03Å; C470-N474 PolarHBondContact O-N 3.4Å; H471-N474 PolarHBondContact O-N 2.9Å; C472-N474 VanDerWaalsContact C-N 3.33Å; C472-N474 PolarHBondContact O-N 3.4Å; N474-Q476 VanDerWaalsContact C-N 3.32Å; N474-Q476 PolarHBondContact O-N 2.86Å; N474-L477 PolarHBondContact O-N 3.16Å; N474-K478 PolarHBondContact ND2-NZ 2.99Å; N474-K478 VanDerWaalsContact O-CB 3.31Å; N474-K478 WeakPolarHBondContact O-CB 3.46Å; N474-K478 WeakPolarHBondContact O-CD 3.41Å; N474-K478 VanDerWaalsContact O-CG 3.28Å; N474-K478 WeakPolarHBondContact O-CG 3.31Å; N474-K478 PolarHBondContact O-N 2.57Å; N474-K478 WeakPolarHBondContact OD1-CE 3.35Å; N474-K478 PolarHBondContact OD1-NZ 3.29Å; N474-I501 HydrophobicContact CB-CB 4.44Å; N474-I501 HydrophobicContact CB-CD1 3.66Å; N474-I501 HydrophobicContact CB-CG2 4.17Å; N474-E503 PolarHBondContact ND2-OE1 2.85Å
475N84.2Confident83.3Confident89 Ų8961.9 Ų61.948%0.47634%0.336SS..Hα-helixtrans-65.2-35.3175.3-72.8-35.3000112H471 C472 N479H471-N475 WeakPolarHBondContact O-CB 3.49Å; H471-N475 VanDerWaalsContact O-CG 3.29Å; H471-N475 PolarHBondContact O-N 3.07Å; H471-N475 PolarHBondContact O-ND2 3.04Å; H471-N475 VanDerWaalsContact O-ND2 3.1Å; C472-N475 PolarHBondContact O-N 3.3Å; N475-N479 WeakPolarHBondContact O-CB 3.37Å; N475-N479 PolarHBondContact O-N 3.08Å; N475-N479 VanDerWaalsContact O-N 3.08Å; N475-N479 PolarHBondContact O-ND2 2.85Å
476Q85Confident83.4Confident63 Ų6364.4 Ų64.429%0.29435%0.352SS..Hα-helixtrans-68.8-49.1173.2-70.6178.61300111.9C472 L473 N474 K478 N479 T480 K482 A483C472-Q476 WeakPolarHBondContact O-CG 3.46Å; C472-Q476 PolarHBondContact O-N 3.09Å; L473-Q476 PolarHBondContact O-N 2.64Å; N474-Q476 VanDerWaalsContact C-N 3.32Å; N474-Q476 PolarHBondContact O-N 2.86Å; Q476-K478 PolarHBondContact O-N 3.34Å; Q476-N479 PolarHBondContact O-N 2.7Å; Q476-T480 PolarHBondContact O-N 2.69Å; Q476-T480 PolarHBondContact O-OG1 3.06Å; Q476-K482 CarbonylContact C-O 3.49Å; Q476-A483 HydrophobicContact CB-CB 3.52Å; Q476-A483 VanDerWaalsContact OE1-CA 3.28Å
477L85.7Confident83.3Confident8 Ų861.1 Ų61.14%0.04233%0.332CS..Hα-helixtrans-55.2-51.6176.6-72.8177.9000111.2L473 N474 N479 G481 A483 I501L473-L477 WeakPolarHBondContact O-CG 3.27Å; L473-L477 PolarHBondContact O-N 3.07Å; N474-L477 PolarHBondContact O-N 3.16Å; L477-N479 PolarHBondContact O-N 2.98Å; L477-G481 VanDerWaalsContact O-CA 3.26Å; L477-G481 WeakPolarHBondContact O-CA 3.37Å; L477-G481 PolarHBondContact O-N 3.46Å; L477-A483 HydrophobicContact CD2-CB 3.84Å; L477-A483 HydrophobicContact CG-CB 3.81Å; L477-I501 HydrophobicContact CD1-CD1 3.94Å; L477-I501 HydrophobicContact CD1-CG1 4.31Å
478K82.8Confident83.3Confident128 Ų12864.2 Ų64.256%0.55735%0.349SS*.Hα-helixtrans-61.9-39.4179.8-72.6165.81741640113.9N474 Q476N474-K478 PolarHBondContact ND2-NZ 2.99Å; N474-K478 VanDerWaalsContact O-CB 3.31Å; N474-K478 WeakPolarHBondContact O-CB 3.46Å; N474-K478 WeakPolarHBondContact O-CD 3.41Å; N474-K478 VanDerWaalsContact O-CG 3.28Å; N474-K478 WeakPolarHBondContact O-CG 3.31Å; N474-K478 PolarHBondContact O-N 2.57Å; N474-K478 WeakPolarHBondContact OD1-CE 3.35Å; N474-K478 PolarHBondContact OD1-NZ 3.29Å; Q476-K478 PolarHBondContact O-N 3.34Å
479N83.1Confident83Confident134 Ų13461.6 Ų61.672%0.71735%0.352SS*.Hα-helixtrans-88.7-31.4-174-69-38.3000114.1N475 Q476 L477N475-N479 WeakPolarHBondContact O-CB 3.37Å; N475-N479 PolarHBondContact O-N 3.08Å; N475-N479 VanDerWaalsContact O-N 3.08Å; N475-N479 PolarHBondContact O-ND2 2.85Å; Q476-N479 PolarHBondContact O-N 2.7Å; L477-N479 PolarHBondContact O-N 2.98Å
480T80Confident82.8Confident109 Ų10962.8 Ų62.867%0.66936%0.356SS*.Hα-helixtrans-122.5-1.8-173.433.10000115Q476 K482Q476-T480 PolarHBondContact O-N 2.69Å; Q476-T480 PolarHBondContact O-OG1 3.06Å; T480-K482 PolarHBondContact O-N 2.86Å; T480-K482 VanDerWaalsContact O-N 3.12Å; T480-K482 PolarHBondContact OG1-O 3.48Å
481G79.1Confident82.9Confident43 Ų4370.1 Ų70.144%0.44339%0.39SS..SBendtrans6510.4-174.900000113.6L477L477-G481 VanDerWaalsContact O-CA 3.26Å; L477-G481 WeakPolarHBondContact O-CA 3.37Å; L477-G481 PolarHBondContact O-N 3.46Å
482K83.9Confident83Confident106 Ų10667.2 Ų67.246%0.46138%0.377SS..  trans-152.3144.8-177.6-90.7-168170.4-169.80108.9Q476 T480 D493 L494Q476-K482 CarbonylContact C-O 3.49Å; T480-K482 PolarHBondContact O-N 2.86Å; T480-K482 VanDerWaalsContact O-N 3.12Å; T480-K482 PolarHBondContact OG1-O 3.48Å; K482-D493 HydrophobicContact CD-CB 4.41Å; K482-D493 WeakPolarHBondContact CE-OD2 3.38Å; K482-D493 IonicContact NZ-OD2 3.05Å; K482-D493 PolarHBondContact NZ-OD2 3.34Å; K482-L494 CarbonylContact C-O 3.6Å; K482-L494 VanDerWaalsContact CA-O 3.25Å; K482-L494 WeakPolarHBondContact CA-O 3.34Å
483A86.2Confident83.2Confident0 Ų067.4 Ų67.40%037%0.374CS..EExtended strand (participates in β ladder)trans-132.2148.116800000110.2L473 Q476 L477 L494L473-A483 HydrophobicContact CD1-CB 3.63Å; L473-A483 HydrophobicContact CG-CB 3.83Å; Q476-A483 HydrophobicContact CB-CB 3.52Å; Q476-A483 VanDerWaalsContact OE1-CA 3.28Å; L477-A483 HydrophobicContact CD2-CB 3.84Å; L477-A483 HydrophobicContact CG-CB 3.81Å; A483-L494 PolarHBondContact N-O 3.43Å; A483-L494 PolarHBondContact O-N 2.9Å
484T85.1Confident83.4Confident52 Ų5267 Ų6732%0.31937%0.372SS..EExtended strand (participates in β ladder)trans-114.6107.2-172.9-56.20000110Q491 V492 D493T484-Q491 HydrophobicContact CG2-CB 3.63Å; T484-Q491 HydrophobicContact CG2-CG 3.87Å; T484-V492 WeakPolarHBondContact CA-O 3.46Å; T484-D493 PolarHBondContact OG1-OD1 2.88Å; T484-D493 VanDerWaalsContact OG1-OD1 3.1Å
485L86Confident83.4Confident11 Ų1168.9 Ų68.96%0.05838%0.381CS..EExtended strand (participates in β ladder)trans-93.3136.3179.3179.565.4000110.6I458 Q461 L462 L465 V487 V492 L494I458-L485 HydrophobicContact CG2-CD2 4.38Å; Q461-L485 HydrophobicContact CB-CD2 4.28Å; Q461-L485 HydrophobicContact CG-CD1 4.14Å; Q461-L485 HydrophobicContact CG-CD2 4.26Å; Q461-L485 HydrophobicContact CG-CG 4.38Å; L462-L485 HydrophobicContact CD2-CD2 3.88Å; L462-L485 HydrophobicContact CG-CD2 3.83Å; L465-L485 HydrophobicContact CD1-CD1 4.32Å; L465-L485 HydrophobicContact CD2-CD1 3.93Å; L485-V487 HydrophobicContact CD2-CG2 3.8Å; L485-V487 HydrophobicContact CG-CG2 3.82Å; L485-V492 PolarHBondContact N-O 3.19Å; L485-V492 PolarHBondContact O-N 2.95Å; L485-L494 HydrophobicContact CB-CD1 3.77Å; L485-L494 HydrophobicContact CB-CG 4.45Å; L485-L494 HydrophobicContact CD2-CD1 3.97Å
486T84.7Confident83.4Confident77 Ų7769.9 Ų69.947%0.47239%0.387SS..EExtended strand (participates in β ladder)trans-90.7121.6172.6-58.20000110.2K490T486-K490 CarbonylContact C-O 3.54Å; T486-K490 WeakPolarHBondContact CA-O 3.19Å
487V78.6Confident83.4Confident10 Ų1069.7 Ų69.76%0.06139%0.393CS..EExtended strand (participates in β ladder)trans-131.3119.6178.5-171.40000108.4T457 I458 Q461 L485 G489 K490 V492T457-V487 HydrophobicContact CG2-CG1 3.68Å; I458-V487 HydrophobicContact CG1-CG2 4.05Å; Q461-V487 HydrophobicContact CB-CG2 4.16Å; Q461-V487 HydrophobicContact CG-CG2 4.22Å; L485-V487 HydrophobicContact CD2-CG2 3.8Å; L485-V487 HydrophobicContact CG-CG2 3.82Å; V487-G489 PolarHBondContact O-N 2.97Å; V487-G489 VanDerWaalsContact O-N 3.16Å; V487-K490 PolarHBondContact N-O 2.88Å; V487-K490 WeakPolarHBondContact O-CB 3.48Å; V487-K490 PolarHBondContact O-N 3.15Å; V487-V492 HydrophobicContact CB-CG2 4.27Å; V487-V492 HydrophobicContact CG2-CG2 4.05Å
488N78.3Confident83.5Confident140 Ų14070.1 Ų70.175%0.74939%0.394SS*.THydrogen-bonded Turntrans48.140.6-176.6-63.2-1.3000113.6K490N488-K490 PolarHBondContact O-N 2.81Å
489G76.8Confident83.7Confident73 Ų7364.1 Ų64.175%0.75337%0.369SS*.THydrogen-bonded Turntrans74.9-4-178.200000115.7V487V487-G489 PolarHBondContact O-N 2.97Å; V487-G489 VanDerWaalsContact O-N 3.16Å
490K79.2Confident83.8Confident114 Ų11463 Ų6350%0.49636%0.359SS..EExtended strand (participates in β ladder)trans-87.8145.5168.1-61.9-176-177.1-178.50110.4E454 T486 V487 N488E454-K490 IonicContact OE1-NZ 2.73Å; E454-K490 PolarHBondContact OE1-NZ 3.24Å; T486-K490 CarbonylContact C-O 3.54Å; T486-K490 WeakPolarHBondContact CA-O 3.19Å; V487-K490 PolarHBondContact N-O 2.88Å; V487-K490 WeakPolarHBondContact O-CB 3.48Å; V487-K490 PolarHBondContact O-N 3.15Å; N488-K490 PolarHBondContact O-N 2.81Å
491Q84.7Confident84Confident157 Ų15759 Ų5973%0.73433%0.333SS*.EExtended strand (participates in β ladder)trans-89.2135.1166.4-75.7-176.6-1.700110.5T484T484-Q491 HydrophobicContact CG2-CB 3.63Å; T484-Q491 HydrophobicContact CG2-CG 3.87Å
492V85.8Confident84.2Confident9 Ų961.4 Ų61.46%0.05533%0.332CS..EExtended strand (participates in β ladder)trans-125.1117.4-175.3-179.60000109F451 I458 T484 L485 V487 L494F451-V492 HydrophobicContact CD1-CG1 4.21Å; F451-V492 HydrophobicContact CE1-CG1 3.6Å; F451-V492 HydrophobicContact CE2-CG1 4.21Å; F451-V492 HydrophobicContact CZ-CG1 3.6Å; I458-V492 HydrophobicContact CD1-CG1 3.77Å; I458-V492 HydrophobicContact CD1-CG2 4.39Å; I458-V492 HydrophobicContact CG1-CG1 4.21Å; I458-V492 HydrophobicContact CG1-CG2 4.39Å; T484-V492 WeakPolarHBondContact CA-O 3.46Å; L485-V492 PolarHBondContact N-O 3.19Å; L485-V492 PolarHBondContact O-N 2.95Å; V487-V492 HydrophobicContact CB-CG2 4.27Å; V487-V492 HydrophobicContact CG2-CG2 4.05Å; V492-L494 HydrophobicContact CG1-CD2 4.2Å; V492-L494 PolarHBondContact O-N 3.2Å
493D87.7Confident84.3Confident70 Ų7061.2 Ų61.237%0.37433%0.332SS..EExtended strand (participates in β ladder)trans-79.1114.8176-84.4-2.7000111.3K482 T484K482-D493 HydrophobicContact CD-CB 4.41Å; K482-D493 WeakPolarHBondContact CE-OD2 3.38Å; K482-D493 IonicContact NZ-OD2 3.05Å; K482-D493 PolarHBondContact NZ-OD2 3.34Å; T484-D493 PolarHBondContact OG1-OD1 2.88Å; T484-D493 VanDerWaalsContact OG1-OD1 3.1Å
494L88.3Confident84.2Confident1 Ų165.5 Ų65.51%0.00535%0.349CS..EExtended strand (participates in β ladder)trans-102.7156.4174.4-60.3174.3000110.8L447 F451 I458 L462 L473 K482 A483 L485 V492 M498 V499L447-L494 HydrophobicContact CD2-CD2 3.82Å; F451-L494 HydrophobicContact CE2-CD2 4.3Å; I458-L494 HydrophobicContact CG2-CD2 4.21Å; L462-L494 HydrophobicContact CD1-CD1 4.45Å; L462-L494 HydrophobicContact CD2-CD1 3.9Å; L473-L494 HydrophobicContact CD2-CD1 4.33Å; K482-L494 CarbonylContact C-O 3.6Å; K482-L494 VanDerWaalsContact CA-O 3.25Å; K482-L494 WeakPolarHBondContact CA-O 3.34Å; A483-L494 PolarHBondContact N-O 3.43Å; A483-L494 PolarHBondContact O-N 2.9Å; L485-L494 HydrophobicContact CB-CD1 3.77Å; L485-L494 HydrophobicContact CB-CG 4.45Å; L485-L494 HydrophobicContact CD2-CD1 3.97Å; V492-L494 HydrophobicContact CG1-CD2 4.2Å; V492-L494 PolarHBondContact O-N 3.2Å; L494-M498 HydrophobicContact CD2-CB 4.41Å; L494-M498 HydrophobicContact CD2-SD 4.26Å; L494-V499 HydrophobicContact CD1-CG2 4.06Å; L494-V499 HydrophobicContact CD2-CG2 4.4Å
495N86.6Confident84.2Confident52 Ų5270.1 Ų70.128%0.27837%0.365SS..  trans-139.9172.8175.371.918000111.4S497 M498 V499N495-S497 PolarHBondContact ND2-OG 2.67Å; N495-S497 PolarHBondContact O-N 3.27Å; N495-S497 WeakPolarHBondContact OD1-CA 3.45Å; N495-S497 PolarHBondContact OD1-N 2.87Å; N495-S497 PolarHBondContact OD1-OG 2.86Å; N495-M498 WeakPolarHBondContact O-CB 3.41Å; N495-M498 PolarHBondContact O-N 3.05Å; N495-M498 WeakPolarHBondContact OD1-CG 3.31Å; N495-M498 PolarHBondContact OD1-N 3.44Å; N495-M498 VanDerWaalsContact OD1-N 3.1Å; N495-V499 PolarHBondContact O-N 3.46Å; N495-V499 VanDerWaalsContact O-N 3.12Å
496D84Confident84.2Confident111 Ų11173 Ų7359%0.59438%0.38SS*.THydrogen-bonded Turntrans-56.6-24.1-179-66.511.4000114.5
497S84.2Confident84.3Confident59 Ų5972.4 Ų72.441%0.41338%0.376SS..THydrogen-bonded Turntrans-81.5-19.817670.80000113.4N443 N495N443-S497 VanDerWaalsContact CB-O 3.24Å; N443-S497 WeakPolarHBondContact CB-O 3.39Å; N443-S497 PolarHBondContact ND2-O 2.98Å; N495-S497 PolarHBondContact ND2-OG 2.67Å; N495-S497 PolarHBondContact O-N 3.27Å; N495-S497 WeakPolarHBondContact OD1-CA 3.45Å; N495-S497 PolarHBondContact OD1-N 2.87Å; N495-S497 PolarHBondContact OD1-OG 2.86Å
498M88.1Confident84.7Confident16 Ų1674 Ų748%0.07939%0.386CS..THydrogen-bonded Turntrans-94.5-34.6-179.6-67.9165.1178.100113N443 E446 L447 V450 F451 L494 N495N443-M498 WeakPolarHBondContact CB-O 3.47Å; N443-M498 PolarHBondContact N-O 3.09Å; E446-M498 HydrophobicContact CB-CG 4.29Å; L447-M498 HydrophobicContact CD2-CB 3.88Å; L447-M498 HydrophobicContact CD2-CG 4.19Å; L447-M498 HydrophobicContact CG-CB 4.26Å; V450-M498 HydrophobicContact CB-CE 4.03Å; V450-M498 HydrophobicContact CG1-CE 3.9Å; V450-M498 HydrophobicContact CG2-CE 3.8Å; F451-M498 HydrophobicContact CE2-CE 3.93Å; F451-M498 HydrophobicContact CE2-SD 3.82Å; F451-M498 HydrophobicContact CZ-CE 4.26Å; F451-M498 HydrophobicContact CZ-SD 4.3Å; L494-M498 HydrophobicContact CD2-CB 4.41Å; L494-M498 HydrophobicContact CD2-SD 4.26Å; N495-M498 WeakPolarHBondContact O-CB 3.41Å; N495-M498 PolarHBondContact O-N 3.05Å; N495-M498 WeakPolarHBondContact OD1-CG 3.31Å; N495-M498 PolarHBondContact OD1-N 3.44Å; N495-M498 VanDerWaalsContact OD1-N 3.1Å
499V86.8Confident85.3Confident2 Ų272.8 Ų72.81%0.01238%0.375CS..EExtended strand (participates in β ladder)trans-139.1123.9-178.8177.10000109.9C440 L462 L494 N495 I501C440-V499 HydrophobicContact CB-CG1 4.08Å; L462-V499 HydrophobicContact CD1-CG2 3.52Å; L462-V499 HydrophobicContact CD2-CG1 4.43Å; L462-V499 HydrophobicContact CD2-CG2 4Å; L462-V499 HydrophobicContact CG-CG2 4.44Å; L494-V499 HydrophobicContact CD1-CG2 4.06Å; L494-V499 HydrophobicContact CD2-CG2 4.4Å; N495-V499 PolarHBondContact O-N 3.46Å; N495-V499 VanDerWaalsContact O-N 3.12Å; V499-I501 HydrophobicContact CG1-CG1 3.94Å
500Q85.3Confident85.9Confident112 Ų11271.8 Ų71.852%0.52336%0.355SS..EExtended strand (participates in β ladder)trans-100.3121.9165.6178.8177.555.900108.5I441 K502I441-Q500 WeakPolarHBondContact CA-O 3.47Å; I441-Q500 WeakPolarHBondContact CB-O 3.35Å; I441-Q500 PolarHBondContact N-O 2.98Å; I441-Q500 PolarHBondContact O-N 2.8Å; Q500-K502 HydrophobicContact CG-CG 4.33Å
501I85.1Confident86.4Confident24 Ų2469.1 Ų69.112%0.12335%0.348CS..EExtended strand (participates in β ladder)trans-93.1126.3174.2-58.5177.5000108.8C438 E439 L473 N474 L477 V499C438-I501 WeakPolarHBondContact SG-CG2 3.46Å; E439-I501 WeakPolarHBondContact O-CA 3.48Å; L473-I501 HydrophobicContact CB-CD1 3.93Å; L473-I501 HydrophobicContact CD2-CD1 4.12Å; L473-I501 HydrophobicContact CG-CD1 4.27Å; N474-I501 HydrophobicContact CB-CB 4.44Å; N474-I501 HydrophobicContact CB-CD1 3.66Å; N474-I501 HydrophobicContact CB-CG2 4.17Å; L477-I501 HydrophobicContact CD1-CD1 3.94Å; L477-I501 HydrophobicContact CD1-CG1 4.31Å; V499-I501 HydrophobicContact CG1-CG1 3.94Å
502K83.8Confident86.8Confident94 Ų9466.8 Ų66.841%0.40934%0.337SS..EExtended strand (participates in β ladder)trans-112.9114.2174.8-68.7-169.5-169.5158.60110.5C438 E439 I441 Q500 Y504C438-K502 WeakPolarHBondContact CA-O 3.38Å; E439-K502 PolarHBondContact N-O 2.79Å; E439-K502 PolarHBondContact O-N 3.22Å; I441-K502 HydrophobicContact CD1-CB 4.42Å; I441-K502 HydrophobicContact CD1-CD 3.54Å; I441-K502 HydrophobicContact CD1-CG 3.92Å; Q500-K502 HydrophobicContact CG-CG 4.33Å; K502-Y504 HydrophobicContact CB-CD1 4.11Å; K502-Y504 HydrophobicContact CB-CE1 4.42Å
503E84.9Confident87.1Confident101 Ų10167 Ų6747%0.47234%0.338SS..EExtended strand (participates in β ladder)trans-88118.6164.4-72160.2-164.200108.2V437 C438 N474V437-E503 CarbonylContact O-C 3.53Å; V437-E503 WeakPolarHBondContact O-CA 3.4Å; C438-E503 HydrophobicContact CB-CG 4.17Å; C438-E503 WeakPolarHBondContact SG-CG 3.47Å; N474-E503 PolarHBondContact ND2-OE1 2.85Å
504Y85.1Confident87.4Confident91 Ų9165.8 Ų65.836%0.35733%0.333SS..EExtended strand (participates in β ladder)trans-145152.1174.961.9-80.3000111.6V437 E439 K502 N506V437-Y504 HydrophobicContact CB-CD1 4.34Å; V437-Y504 HydrophobicContact CB-CD2 4.36Å; V437-Y504 HydrophobicContact CB-CE1 4.08Å; V437-Y504 HydrophobicContact CB-CE2 4.08Å; V437-Y504 HydrophobicContact CB-CG 4.5Å; V437-Y504 HydrophobicContact CG1-CD1 4.44Å; V437-Y504 HydrophobicContact CG1-CE1 3.74Å; V437-Y504 HydrophobicContact CG1-CE2 4.25Å; V437-Y504 HydrophobicContact CG2-CE2 4.45Å; V437-Y504 PolarHBondContact N-O 3.07Å; V437-Y504 PolarHBondContact O-N 2.77Å; E439-Y504 HydrophobicContact CB-CE1 4.16Å; E439-Y504 PolarHBondContact OE2-OH 3.18Å; K502-Y504 HydrophobicContact CB-CD1 4.11Å; K502-Y504 HydrophobicContact CB-CE1 4.42Å; Y504-N506 HydrophobicContact CD2-CB 4.24Å; Y504-N506 HydrophobicContact CE2-CB 4.04Å
505K84.8Confident87.7Confident149 Ų14965.7 Ų65.765%0.64833%0.332SS*.EExtended strand (participates in β ladder)trans-85.3111.8170.7-71.6-175.7175.9-171.20108.3T434T434-K505 HydrophobicContact CG2-CB 3.87Å; T434-K505 HydrophobicContact CG2-CD 3.97Å; T434-K505 HydrophobicContact CG2-CG 4.11Å
506N84.8Confident88.1Confident72 Ų7264.2 Ų64.239%0.38532%0.324SS..EExtended strand (participates in β ladder)trans-93.4131.2171-166.815.5000109.1V435 V437 Y504 V508V435-N506 PolarHBondContact N-O 2.95Å; V435-N506 PolarHBondContact O-N 3.17Å; V437-N506 HydrophobicContact CG2-CB 3.59Å; Y504-N506 HydrophobicContact CD2-CB 4.24Å; Y504-N506 HydrophobicContact CE2-CB 4.04Å; N506-V508 PolarHBondContact O-N 3.46Å
507V87.7Confident88.7Confident63 Ų6359 Ų5938%0.38230%0.297SS..EExtended strand (participates in β ladder)trans-93.4103.3175.6-177.90000107.5P432 H509P432-V507 HydrophobicContact CB-CG1 3.48Å; P432-V507 VanDerWaalsContact CB-CG1 3.48Å; V507-H509 PolarHBondContact O-CD2 2.69Å; V507-H509 VanDerWaalsContact O-CD2 3.24Å
508V86.8Confident89.3Confident43 Ų4356.2 Ų56.226%0.26128%0.277SS..EExtended strand (participates in β ladder)trans-85.3116.1-178.8178.70000108.4L429 P432 K433 V435 N506 V510L429-V508 HydrophobicContact CD1-CG1 4.13Å; L429-V508 WeakPolarHBondContact CD1-O 3.4Å; P432-V508 CarbonylContact C-O 3.56Å; P432-V508 WeakPolarHBondContact CA-O 3.36Å; K433-V508 PolarHBondContact N-O 3.49Å; K433-V508 WeakPolarHBondContact O-CB 3.11Å; K433-V508 PolarHBondContact O-N 2.88Å; V435-V508 HydrophobicContact CB-CG2 4.18Å; V435-V508 HydrophobicContact CG2-CB 4.3Å; V435-V508 HydrophobicContact CG2-CG2 3.7Å; N506-V508 PolarHBondContact O-N 3.46Å; V508-V510 WeakPolarHBondContact CG1-O 3.17Å
509H90Very high89.8Confident115 Ų11556 Ų5653%0.53228%0.276SS..EExtended strand (participates in β ladder)trans-95.1-16.9-178.7-70.3-89.7000113.7L429 P432 V507L429-H509 PolarHBondContact N-O 3Å; P432-H509 WeakPolarHBondContact CG-ND1 3.47Å; V507-H509 PolarHBondContact O-CD2 2.69Å; V507-H509 VanDerWaalsContact O-CD2 3.24Å
510V90.9Very high90.3Very high52 Ų5256 Ų5632%0.31528%0.276SS..EExtended strand (participates in β ladder)trans-133.5149.6-176.8-63.60000110.6E426 K427 V508E426-V510 HydrophobicContact CB-CB 4.29Å; E426-V510 HydrophobicContact CB-CG1 4.49Å; E426-V510 HydrophobicContact CB-CG2 4.4Å; E426-V510 HydrophobicContact CG-CG2 4.38Å; K427-V510 CarbonylContact O-C 3.53Å; K427-V510 VanDerWaalsContact O-CA 3.23Å; K427-V510 WeakPolarHBondContact O-CA 3.46Å; V508-V510 WeakPolarHBondContact CG1-O 3.17Å
511T90.2Very high90.9Very high59 Ų5951.7 Ų51.736%0.36226%0.258SS..EExtended strand (participates in β ladder)trans-101.3137.1164.9-172.10000109.7K427 L429 I513K427-T511 HydrophobicContact CB-CG2 3.93Å; K427-T511 HydrophobicContact CD-CG2 4.47Å; K427-T511 HydrophobicContact CG-CG2 4.48Å; K427-T511 PolarHBondContact N-O 3.47Å; K427-T511 PolarHBondContact O-N 3.49Å; L429-T511 HydrophobicContact CD2-CG2 4.19Å; T511-I513 HydrophobicContact CG2-CD1 4.39Å; T511-I513 HydrophobicContact CG2-CG1 4.34Å
512E91.8Very high91.5Very high107 Ų10750.5 Ų50.550%0.525%0.252SS..EExtended strand (participates in β ladder)trans-86130.7176.7-67.9-177.7-142.200110.3R422R422-E512 IonicContact CZ-OE1 2.99Å; R422-E512 IonicContact CZ-OE2 2.65Å; R422-E512 IonicContact NE-OE2 3.79Å; R422-E512 IonicContact NH2-OE1 2.68Å; R422-E512 PolarHBondContact NH2-OE1 2.71Å; R422-E512 IonicContact NH2-OE2 2.68Å; R422-E512 PolarHBondContact NH2-OE2 3.01Å
513I92.7Very high92.2Very high15 Ų1546.6 Ų46.68%0.07724%0.238CC..EExtended strand (participates in β ladder)trans-123.1121.5-176.1-62.9-176000108.2L262 P300 V424 A425 K427 T511 P515L262-I513 HydrophobicContact CD1-CG2 3.98Å; P300-I513 HydrophobicContact CG-CG2 3.96Å; V424-I513 WeakPolarHBondContact CA-O 3.38Å; A425-I513 PolarHBondContact N-O 2.78Å; A425-I513 PolarHBondContact O-N 3.5Å; K427-I513 HydrophobicContact CB-CD1 3.7Å; K427-I513 HydrophobicContact CB-CG1 4.47Å; K427-I513 HydrophobicContact CD-CD1 3.59Å; K427-I513 HydrophobicContact CG-CD1 4.31Å; T511-I513 HydrophobicContact CG2-CD1 4.39Å; T511-I513 HydrophobicContact CG2-CG1 4.34Å; I513-P515 WeakPolarHBondContact O-CD 3.48Å
514V93.9Very high92.8Very high43 Ų4341.8 Ų41.826%0.26122%0.216SC..  trans-80.7115.2158.4-160.30000106.4C409 L412 V424C409-V514 HydrophobicContact CB-CB 4.16Å; C409-V514 HydrophobicContact CB-CG1 3.78Å; L412-V514 HydrophobicContact CB-CG1 4.11Å; V424-V514 HydrophobicContact CG1-CG2 4.2Å
515P95.2Very high93.4Very high0 Ų037.7 Ų37.70%020%0.201CC..  trans-62.2147.7-179.7-17.428.2000111.3F251 L262 F297 V298 C409 L412 I513F251-P515 HydrophobicContact CE2-CG 3.86Å; F251-P515 HydrophobicContact CZ-CG 3.62Å; L262-P515 HydrophobicContact CD1-CB 4.26Å; L262-P515 HydrophobicContact CD1-CG 4.12Å; L262-P515 HydrophobicContact CD2-CB 4.22Å; L262-P515 HydrophobicContact CD2-CG 4.05Å; F297-P515 HydrophobicContact CB-CB 4.01Å; F297-P515 HydrophobicContact CD1-CB 4.2Å; V298-P515 WeakPolarHBondContact O-CA 3.43Å; C409-P515 VanDerWaalsContact CB-O 3.32Å; C409-P515 WeakPolarHBondContact CB-O 3.22Å; L412-P515 HydrophobicContact CD1-CB 4.37Å; L412-P515 HydrophobicContact CD1-CG 4.05Å; I513-P515 WeakPolarHBondContact O-CD 3.48Å
516N95.2Very high94Very high20 Ų2033.4 Ų33.411%0.10718%0.181CC..EExtended strand (participates in β ladder)trans-82.4153.5158.6-82.2-28.6000109.3F297 V298 P300 K303 S408 C409F297-N516 WeakPolarHBondContact CA-O 3.31Å; V298-N516 HydrophobicContact CG1-CB 4.12Å; V298-N516 PolarHBondContact N-O 3.34Å; V298-N516 PolarHBondContact O-N 2.98Å; P300-N516 WeakPolarHBondContact CA-ND2 3.41Å; P300-N516 VanDerWaalsContact CB-ND2 3.29Å; P300-N516 WeakPolarHBondContact CB-ND2 3.3Å; K303-N516 WeakPolarHBondContact CE-ND2 3.19Å; K303-N516 PolarHBondContact NZ-ND2 3.19Å; S408-N516 WeakPolarHBondContact CA-OD1 3.5Å; S408-N516 CarbonylContact O-C 3.53Å; S408-N516 VanDerWaalsContact O-CA 3.24Å; S408-N516 WeakPolarHBondContact O-CA 3.32Å; C409-N516 PolarHBondContact N-OD1 2.91Å; C409-N516 VanDerWaalsContact N-OD1 3.12Å
517V96.3Very high94.6Very high3 Ų330 Ų302%0.01816%0.163CC..EExtended strand (participates in β ladder)trans-121.2130.2-178.7-167.60000110.8F248 E295 Y296 F297 D406 R407 S408F248-V517 HydrophobicContact CE1-CG1 4.28Å; F248-V517 HydrophobicContact CE1-CG2 4.33Å; E295-V517 HydrophobicContact CB-CG1 3.82Å; E295-V517 VanDerWaalsContact OE2-CG1 3.28Å; E295-V517 WeakPolarHBondContact OE2-CG1 3.29Å; Y296-V517 WeakPolarHBondContact O-CA 3.29Å; F297-V517 HydrophobicContact CD1-CG2 3.67Å; F297-V517 HydrophobicContact CE1-CG1 4.45Å; F297-V517 HydrophobicContact CE1-CG2 3.69Å; D406-V517 CarbonylContact C-O 3.53Å; R407-V517 HydrophobicContact CB-CB 4.42Å; R407-V517 PolarHBondContact N-O 3.01Å; S408-V517 PolarHBondContact O-N 3.28Å
518I96.8Very high95Very high0 Ų027.1 Ų27.10%015%0.145CC..EExtended strand (participates in β ladder)trans-100125.7164-49.6-56.9000108Y296 T348 L349 F352 A405 D406 P520Y296-I518 PolarHBondContact N-O 3.16Å; Y296-I518 PolarHBondContact O-N 3.41Å; T348-I518 HydrophobicContact CG2-CG1 3.8Å; L349-I518 HydrophobicContact CD1-CG2 4.06Å; F352-I518 HydrophobicContact CD2-CB 4.49Å; F352-I518 HydrophobicContact CD2-CG2 4.04Å; A405-I518 CarbonylContact O-C 3.56Å; A405-I518 WeakPolarHBondContact O-CA 3.45Å; D406-I518 HydrophobicContact CB-CD1 3.78Å; D406-I518 WeakPolarHBondContact OD2-CD1 3.49Å; I518-P520 WeakPolarHBondContact O-CD 3.19Å
519E97.4Very high95.5Very high12 Ų1225.1 Ų25.16%0.05613%0.133CC..EExtended strand (participates in β ladder)trans-115.299.8-176.1178.7-164.758.800111.8I294 C404 A405 R407I294-E519 WeakPolarHBondContact O-CA 3.42Å; C404-E519 CarbonylContact C-O 3.6Å; C404-E519 VanDerWaalsContact CA-O 3.29Å; C404-E519 WeakPolarHBondContact CA-O 3.46Å; A405-E519 PolarHBondContact N-O 2.94Å; A405-E519 PolarHBondContact O-N 2.83Å; R407-E519 HydrophobicContact CG-CB 4.07Å; R407-E519 IonicContact CZ-OE2 2.78Å; R407-E519 IonicContact NE-OE2 2.73Å; R407-E519 IonicContact NH1-OE1 3.89Å; R407-E519 IonicContact NH1-OE2 3.18Å; R407-E519 PolarHBondContact NH1-OE2 2.68Å
520P98Very high95.8Very high0 Ų019.7 Ų19.70%011%0.108CC..EExtended strand (participates in β ladder)trans-78.1107.3156.5-24.837.3000112.6E293 I294 F352 I356 G403 I518 F522E293-P520 WeakPolarHBondContact CA-O 3.43Å; I294-P520 HydrophobicContact CB-CB 4.37Å; I294-P520 HydrophobicContact CB-CG 4.39Å; I294-P520 HydrophobicContact CD1-CB 4.3Å; I294-P520 PolarHBondContact N-O 3.35Å; I294-P520 VanDerWaalsContact N-O 3.09Å; I294-P520 VanDerWaalsContact O-CD 3.3Å; I294-P520 WeakPolarHBondContact O-CD 3.41Å; F352-P520 HydrophobicContact CB-CG 3.77Å; F352-P520 HydrophobicContact CD1-CG 3.76Å; F352-P520 HydrophobicContact CD2-CG 4.35Å; F352-P520 HydrophobicContact CG-CG 3.68Å; I356-P520 HydrophobicContact CD1-CB 4.2Å; G403-P520 CarbonylContact O-C 3.48Å; G403-P520 WeakPolarHBondContact O-CA 3.39Å; I518-P520 WeakPolarHBondContact O-CD 3.19Å; P520-F522 HydrophobicContact CB-CD2 4.4Å; P520-F522 HydrophobicContact CB-CE2 3.61Å; P520-F522 HydrophobicContact CB-CZ 4.31Å
521S97.8Very high96Very high22 Ų2217.2 Ų17.215%0.1549%0.093CC..EExtended strand (participates in β ladder)trans-110.6115.3177.3177.40000112E293 V402 G403E293-S521 WeakPolarHBondContact OE1-CB 3.32Å; E293-S521 PolarHBondContact OE1-OG 3.37Å; V402-S521 CarbonylContact C-O 3.58Å; V402-S521 WeakPolarHBondContact CA-O 3.28Å; V402-S521 WeakPolarHBondContact CG1-O 3.37Å; G403-S521 PolarHBondContact N-O 2.68Å; G403-S521 PolarHBondContact O-N 2.87Å
522F98.5Very high96.3Very high0 Ų014.5 Ų14.50%08%0.076CC..EExtended strand (participates in β ladder)trans-104.8115-170.7-64-109.6000112.7W108 F112 M291 A292 I294 I356 F359 V402 P520 I524 I527W108-F522 AromaticContact CD1-CD1 3.88Å; W108-F522 AromaticContact CD1-CE1 3.95Å; W108-F522 AromaticContact CE2-CD2 3.77Å; W108-F522 AromaticContact CE2-CE2 3.79Å; W108-F522 AromaticContact CZ2-CD2 3.7Å; W108-F522 HydrophobicContact CZ2-CD2 3.7Å; W108-F522 AromaticContact CZ2-CE2 3.7Å; W108-F522 HydrophobicContact CZ2-CE2 3.7Å; W108-F522 HydrophobicContact CZ2-CG 4.49Å; W108-F522 AromaticContact NE1-CD1 3.37Å; W108-F522 AromaticContact NE1-CD2 3.25Å; W108-F522 AromaticContact NE1-CE1 3.4Å; W108-F522 AromaticContact NE1-CE2 3.26Å; W108-F522 VanDerWaalsContact NE1-CE2 3.26Å; W108-F522 AromaticContact NE1-CG 3.31Å; W108-F522 VanDerWaalsContact NE1-CG 3.31Å; W108-F522 AromaticContact NE1-CZ 3.34Å; W108-F522 VanDerWaalsContact NE1-CZ 3.34Å; F112-F522 HydrophobicContact CD2-CZ 4.24Å; F112-F522 AromaticContact CE1-CZ 3.93Å; F112-F522 HydrophobicContact CE1-CZ 3.93Å; F112-F522 AromaticContact CE2-CE1 3.81Å; F112-F522 HydrophobicContact CE2-CE1 3.81Å; F112-F522 HydrophobicContact CE2-CE2 4.48Å; F112-F522 AromaticContact CE2-CZ 3.56Å; F112-F522 HydrophobicContact CE2-CZ 3.56Å; F112-F522 AromaticContact CZ-CE1 3.84Å; F112-F522 HydrophobicContact CZ-CE1 3.84Å; F112-F522 HydrophobicContact CZ-CE2 4.46Å; F112-F522 AromaticContact CZ-CZ 3.39Å; F112-F522 HydrophobicContact CZ-CZ 3.39Å; M291-F522 WeakPolarHBondContact CA-O 3.17Å; A292-F522 HydrophobicContact CB-CB 4.32Å; A292-F522 PolarHBondContact N-O 2.88Å; A292-F522 WeakPolarHBondContact O-CB 3.3Å; A292-F522 WeakPolarHBondContact O-CD2 3.4Å; A292-F522 PolarHBondContact O-N 2.97Å; I294-F522 HydrophobicContact CD1-CE2 4.26Å; I356-F522 HydrophobicContact CG1-CE1 4.1Å; I356-F522 HydrophobicContact CG1-CZ 3.71Å; I356-F522 HydrophobicContact CG2-CE1 4.42Å; F359-F522 HydrophobicContact CD1-CD1 4.46Å; F359-F522 AromaticContact CD1-CE1 3.98Å; F359-F522 HydrophobicContact CD1-CE1 3.98Å; F359-F522 HydrophobicContact CE1-CD1 4.39Å; F359-F522 HydrophobicContact CE1-CE1 4.3Å; V402-F522 HydrophobicContact CB-CD1 4.23Å; V402-F522 HydrophobicContact CG1-CB 4.47Å; V402-F522 HydrophobicContact CG1-CD1 3.71Å; V402-F522 HydrophobicContact CG1-CD2 3.93Å; V402-F522 HydrophobicContact CG1-CE1 3.86Å; V402-F522 HydrophobicContact CG1-CE2 4.08Å; V402-F522 HydrophobicContact CG1-CG 3.75Å; V402-F522 HydrophobicContact CG1-CZ 4.04Å; V402-F522 HydrophobicContact CG2-CB 4.4Å; V402-F522 HydrophobicContact CG2-CD1 3.4Å; V402-F522 HydrophobicContact CG2-CE1 3.88Å; V402-F522 HydrophobicContact CG2-CG 4.01Å; P520-F522 HydrophobicContact CB-CD2 4.4Å; P520-F522 HydrophobicContact CB-CE2 3.61Å; P520-F522 HydrophobicContact CB-CZ 4.31Å; F522-I524 HydrophobicContact CB-CD1 4.18Å; F522-I524 PolarHBondContact O-N 2.91Å; F522-I527 HydrophobicContact CB-CD1 4.05Å; F522-I527 HydrophobicContact CD1-CD1 4.14Å
523G97.5Very high96.4Very high11 Ų119.7 Ų9.711%0.1135%0.053CC..EExtended strand (participates in β ladder)trans-78.679.1176.200000113.1C401 G525 R526 I527C401-G523 PolarHBondContact O-N 3.48Å; G523-G525 PolarHBondContact O-N 3.5Å; G523-R526 WeakPolarHBondContact O-CA 3.42Å; G523-R526 WeakPolarHBondContact O-CB 3.31Å; G523-R526 PolarHBondContact O-N 3.35Å; G523-I527 PolarHBondContact O-N 3.3Å
524I97.9Very high96.5Very high1 Ų19.3 Ų9.31%0.0055%0.051CC..Hα-helixtrans-50.6-39-172.4-52.2-60000113.5K101 L104 L105 T290 A292 F522 L528K101-I524 HydrophobicContact CG-CG2 4.45Å; L104-I524 HydrophobicContact CD2-CG2 3.89Å; L105-I524 HydrophobicContact CD2-CD1 3.89Å; L105-I524 HydrophobicContact CD2-CG1 4.01Å; L105-I524 HydrophobicContact CD2-CG2 4.39Å; T290-I524 HydrophobicContact CG2-CG1 4.39Å; T290-I524 VanDerWaalsContact O-CB 3.31Å; T290-I524 WeakPolarHBondContact O-CB 3.48Å; T290-I524 WeakPolarHBondContact O-CG1 3.33Å; T290-I524 PolarHBondContact O-N 2.74Å; A292-I524 HydrophobicContact CB-CD1 4.02Å; F522-I524 HydrophobicContact CB-CD1 4.18Å; F522-I524 PolarHBondContact O-N 2.91Å; I524-L528 HydrophobicContact CG2-CD1 4.2Å; I524-L528 WeakPolarHBondContact O-CB 3.49Å; I524-L528 WeakPolarHBondContact O-CG 3.19Å; I524-L528 PolarHBondContact O-N 3.42Å
525G96.6Very high96.5Very high5 Ų57.5 Ų7.55%0.0524%0.041CC..Hα-helixtrans-65.7-37.2176.600000114.1G523 Y529G523-G525 PolarHBondContact O-N 3.5Å; G525-Y529 PolarHBondContact O-N 3.34Å; G525-Y529 VanDerWaalsContact O-N 3.12Å
526R97.2Very high96.5Very high59 Ų597.8 Ų7.822%0.2234%0.042CC..Hα-helixtrans-71.8-43.9175.8-59.6-170.6-179.5162.37111.1I284 E400 G523 L528 Y529 T530I284-R526 PolarHBondContact O-NE 2.83Å; E400-R526 WeakPolarHBondContact O-CD 3.28Å; E400-R526 PolarHBondContact O-NH1 3.37Å; E400-R526 IonicContact OE1-CZ 2.72Å; E400-R526 IonicContact OE1-NH1 2.8Å; E400-R526 PolarHBondContact OE1-NH1 3.3Å; E400-R526 IonicContact OE2-CZ 3.85Å; E400-R526 IonicContact OE2-NH1 2.8Å; E400-R526 PolarHBondContact OE2-NH1 2.73Å; E400-R526 IonicContact OE2-NH2 2.72Å; G523-R526 WeakPolarHBondContact O-CA 3.42Å; G523-R526 WeakPolarHBondContact O-CB 3.31Å; G523-R526 PolarHBondContact O-N 3.35Å; R526-L528 VanDerWaalsContact C-N 3.35Å; R526-L528 PolarHBondContact O-N 2.88Å; R526-Y529 PolarHBondContact O-N 3.12Å; R526-Y529 VanDerWaalsContact O-N 3.16Å; R526-T530 PolarHBondContact O-N 2.84Å; R526-T530 PolarHBondContact O-OG1 3.3Å; R526-T530 VanDerWaalsContact O-OG1 3.14Å
527I97.9Very high96.4Very high1 Ų111.4 Ų11.41%0.0055%0.054CC..Hα-helixtrans-57-47.9175.2-64.9167.9000110.3L104 L360 I363 C401 V402 F522 G523 Y529 T530 I531L104-I527 HydrophobicContact CD1-CG2 4.4Å; L104-I527 HydrophobicContact CD2-CG2 3.95Å; L360-I527 HydrophobicContact CD2-CD1 4.43Å; L360-I527 HydrophobicContact CD2-CG1 4.35Å; L360-I527 HydrophobicContact CD2-CG2 4.42Å; I363-I527 HydrophobicContact CD1-CG2 3.53Å; C401-I527 HydrophobicContact CB-CG1 4.03Å; V402-I527 HydrophobicContact CG2-CD1 4.07Å; F522-I527 HydrophobicContact CB-CD1 4.05Å; F522-I527 HydrophobicContact CD1-CD1 4.14Å; G523-I527 PolarHBondContact O-N 3.3Å; I527-Y529 PolarHBondContact O-N 3.37Å; I527-T530 PolarHBondContact O-N 3.04Å; I527-I531 HydrophobicContact CG2-CD1 3.76Å; I527-I531 WeakPolarHBondContact O-CD1 3.35Å; I527-I531 WeakPolarHBondContact O-CG1 3.4Å; I527-I531 PolarHBondContact O-N 2.81Å
528L96.8Very high96.2Very high1 Ų113.3 Ų13.31%0.0057%0.066CC..Hα-helixtrans-60.3-42.9175.5-74.6170.2000112.7Y93 M100 K101 L104 I524 R526 I531 F532Y93-L528 HydrophobicContact CE1-CD1 3.92Å; M100-L528 HydrophobicContact CB-CD2 4.37Å; M100-L528 HydrophobicContact CE-CD2 4.05Å; K101-L528 HydrophobicContact CB-CD1 4.08Å; K101-L528 HydrophobicContact CG-CD1 4.27Å; L104-L528 HydrophobicContact CD2-CD1 4.45Å; L104-L528 HydrophobicContact CD2-CD2 3.65Å; L104-L528 HydrophobicContact CD2-CG 3.68Å; I524-L528 HydrophobicContact CG2-CD1 4.2Å; I524-L528 WeakPolarHBondContact O-CB 3.49Å; I524-L528 WeakPolarHBondContact O-CG 3.19Å; I524-L528 PolarHBondContact O-N 3.42Å; R526-L528 VanDerWaalsContact C-N 3.35Å; R526-L528 PolarHBondContact O-N 2.88Å; L528-I531 PolarHBondContact O-N 3.29Å; L528-F532 HydrophobicContact CB-CE2 4.35Å; L528-F532 WeakPolarHBondContact O-CD2 3.36Å; L528-F532 WeakPolarHBondContact O-CG 3.42Å; L528-F532 PolarHBondContact O-N 2.59Å
529Y96.3Very high95.9Very high2 Ų214.6 Ų14.61%0.0087%0.07CC..Hα-helixtrans-61.3-46.8175-179-85.6000112I284 T394 Y396 G525 R526 I527 I531 F532 E533I284-Y529 HydrophobicContact CD1-CD1 3.95Å; I284-Y529 HydrophobicContact CD1-CE1 4.09Å; I284-Y529 HydrophobicContact CD1-CG 4.48Å; I284-Y529 HydrophobicContact CG1-CD1 4.15Å; I284-Y529 HydrophobicContact CG1-CG 4.3Å; T394-Y529 HydrophobicContact CG2-CE1 4.37Å; Y396-Y529 HydrophobicContact CD2-CE1 4.24Å; Y396-Y529 HydrophobicContact CE2-CE1 4.28Å; Y396-Y529 HydrophobicContact CE2-CE2 4.46Å; Y396-Y529 AromaticContact CE2-CZ 3.87Å; G525-Y529 PolarHBondContact O-N 3.34Å; G525-Y529 VanDerWaalsContact O-N 3.12Å; R526-Y529 PolarHBondContact O-N 3.12Å; R526-Y529 VanDerWaalsContact O-N 3.16Å; I527-Y529 PolarHBondContact O-N 3.37Å; Y529-I531 VanDerWaalsContact C-N 3.32Å; Y529-I531 PolarHBondContact O-N 2.89Å; Y529-F532 WeakPolarHBondContact O-CB 3.34Å; Y529-F532 PolarHBondContact O-N 3.22Å; Y529-F532 VanDerWaalsContact O-N 3.15Å; Y529-E533 HydrophobicContact CE1-CB 4.2Å; Y529-E533 WeakPolarHBondContact CE1-OE2 3.37Å; Y529-E533 PolarHBondContact O-N 3.12Å; Y529-E533 PolarHBondContact OH-OE2 3.46Å
530T96.2Very high95.3Very high0 Ų022.4 Ų22.40%011%0.107CC..Hα-helixtrans-56.1-45.4175.9-64.20000111.4V365 C392 R526 I527 F532 E533 H534V365-T530 HydrophobicContact CG1-CG2 4.2Å; V365-T530 HydrophobicContact CG2-CG2 4.13Å; C392-T530 HydrophobicContact CB-CG2 3.53Å; R526-T530 PolarHBondContact O-N 2.84Å; R526-T530 PolarHBondContact O-OG1 3.3Å; R526-T530 VanDerWaalsContact O-OG1 3.14Å; I527-T530 PolarHBondContact O-N 3.04Å; T530-F532 PolarHBondContact O-N 3.34Å; T530-E533 PolarHBondContact O-N 3.44Å; T530-H534 WeakPolarHBondContact O-CB 3.37Å; T530-H534 PolarHBondContact O-N 2.99Å
531I96Very high94.6Very high1 Ų126.6 Ų26.61%0.00515%0.15CC..Hα-helixtrans-62.7-43176.8-67.9153.9000111.3M100 I363 V365 I527 L528 Y529 E533 S535 I550 L554M100-I531 HydrophobicContact CE-CG2 4.49Å; I363-I531 HydrophobicContact CD1-CD1 3.98Å; I363-I531 HydrophobicContact CG1-CD1 4.16Å; V365-I531 HydrophobicContact CG2-CG1 4.5Å; I527-I531 HydrophobicContact CG2-CD1 3.76Å; I527-I531 WeakPolarHBondContact O-CD1 3.35Å; I527-I531 WeakPolarHBondContact O-CG1 3.4Å; I527-I531 PolarHBondContact O-N 2.81Å; L528-I531 PolarHBondContact O-N 3.29Å; Y529-I531 VanDerWaalsContact C-N 3.32Å; Y529-I531 PolarHBondContact O-N 2.89Å; I531-E533 VanDerWaalsContact C-N 3.32Å; I531-E533 PolarHBondContact O-N 2.93Å; I531-S535 WeakPolarHBondContact O-CB 3.44Å; I531-S535 PolarHBondContact O-N 3Å; I531-S535 PolarHBondContact O-OG 3.48Å; I531-I550 HydrophobicContact CG2-CD1 4.39Å; I531-I550 HydrophobicContact CG2-CG1 4.08Å; I531-I550 HydrophobicContact CG2-CG2 4.35Å; I531-L554 HydrophobicContact CD1-CD1 3.51Å; I531-L554 HydrophobicContact CG1-CD1 4.45Å; I531-L554 HydrophobicContact CG2-CD1 4.31Å
532F95.8Very high93.9Very high2 Ų228.5 Ų28.51%0.00916%0.159CC..Hα-helixtrans-60.2-42.7176.1-70.9-51.1000111.9L67 L71 F76 Y77 M100 L528 Y529 T530 S535 F536 L548 I550L67-F532 HydrophobicContact CD1-CB 4.39Å; L71-F532 HydrophobicContact CD1-CB 4.1Å; L71-F532 HydrophobicContact CD1-CD2 4.13Å; L71-F532 HydrophobicContact CD1-CG 4.08Å; L71-F532 HydrophobicContact CD2-CB 4.31Å; L71-F532 HydrophobicContact CD2-CD1 3.48Å; L71-F532 VanDerWaalsContact CD2-CD1 3.48Å; L71-F532 HydrophobicContact CD2-CD2 4.11Å; L71-F532 HydrophobicContact CD2-CE1 3.68Å; L71-F532 HydrophobicContact CD2-CE2 4.31Å; L71-F532 HydrophobicContact CD2-CG 3.73Å; L71-F532 HydrophobicContact CD2-CZ 4.11Å; F76-F532 HydrophobicContact CB-CE1 4.49Å; F76-F532 HydrophobicContact CB-CZ 4.08Å; F76-F532 AromaticContact CD1-CE1 3.52Å; F76-F532 HydrophobicContact CD1-CE1 3.52Å; F76-F532 AromaticContact CD1-CZ 3.65Å; F76-F532 HydrophobicContact CD1-CZ 3.65Å; F76-F532 AromaticContact CE1-CE1 3.84Å; F76-F532 HydrophobicContact CE1-CE1 3.84Å; F76-F532 HydrophobicContact CE1-CZ 4.39Å; F76-F532 HydrophobicContact CG-CE1 4.07Å; F76-F532 HydrophobicContact CG-CZ 4.1Å; Y77-F532 HydrophobicContact CD1-CE2 4.4Å; Y77-F532 HydrophobicContact CE1-CD2 4.47Å; Y77-F532 HydrophobicContact CE1-CE2 4.32Å; M100-F532 HydrophobicContact CE-CD1 4.17Å; M100-F532 HydrophobicContact CE-CE1 3.45Å; M100-F532 VanDerWaalsContact CE-CE1 3.45Å; M100-F532 HydrophobicContact CE-CZ 3.7Å; M100-F532 HydrophobicContact SD-CE1 3.52Å; M100-F532 VanDerWaalsContact SD-CE1 3.52Å; M100-F532 HydrophobicContact SD-CZ 3.87Å; L528-F532 HydrophobicContact CB-CE2 4.35Å; L528-F532 WeakPolarHBondContact O-CD2 3.36Å; L528-F532 WeakPolarHBondContact O-CG 3.42Å; L528-F532 PolarHBondContact O-N 2.59Å; Y529-F532 WeakPolarHBondContact O-CB 3.34Å; Y529-F532 PolarHBondContact O-N 3.22Å; Y529-F532 VanDerWaalsContact O-N 3.15Å; T530-F532 PolarHBondContact O-N 3.34Å; F532-S535 PolarHBondContact O-OG 2.84Å; F532-F536 WeakPolarHBondContact O-CB 3.44Å; F532-F536 PolarHBondContact O-N 2.99Å; F532-L548 HydrophobicContact CD1-CD1 4.29Å; F532-L548 HydrophobicContact CD1-CD2 4.48Å; F532-I550 HydrophobicContact CD1-CD1 4.15Å; F532-I550 HydrophobicContact CE1-CD1 4.25Å
533E95Very high93.2Very high5 Ų535.2 Ų35.22%0.02319%0.19CC..Hα-helixtrans-70.3-51.3178.4-179161.8141.700112.3F62 L67 T394 S395 Y529 T530 I531 S535 F536F62-E533 HydrophobicContact CD2-CG 4.37Å; F62-E533 HydrophobicContact CE1-CG 4.08Å; F62-E533 HydrophobicContact CE2-CB 4.47Å; F62-E533 HydrophobicContact CE2-CG 3.68Å; F62-E533 HydrophobicContact CZ-CB 4.38Å; F62-E533 HydrophobicContact CZ-CG 3.51Å; L67-E533 HydrophobicContact CD2-CB 4.16Å; T394-E533 VanDerWaalsContact C-OE1 3.26Å; T394-E533 WeakPolarHBondContact CA-OE1 3.41Å; S395-E533 WeakPolarHBondContact CB-OE1 3.49Å; S395-E533 WeakPolarHBondContact CB-OE2 3.27Å; S395-E533 PolarHBondContact N-OE1 3.26Å; S395-E533 PolarHBondContact N-OE2 3.43Å; S395-E533 PolarHBondContact OG-OE2 3.29Å; Y529-E533 HydrophobicContact CE1-CB 4.2Å; Y529-E533 WeakPolarHBondContact CE1-OE2 3.37Å; Y529-E533 PolarHBondContact O-N 3.12Å; Y529-E533 PolarHBondContact OH-OE2 3.46Å; T530-E533 PolarHBondContact O-N 3.44Å; I531-E533 VanDerWaalsContact C-N 3.32Å; I531-E533 PolarHBondContact O-N 2.93Å; E533-S535 PolarHBondContact O-N 3Å; E533-F536 PolarHBondContact O-N 2.65Å
534H94.3Very high92.5Very high7 Ų742.7 Ų42.73%0.03222%0.222CC..Hα-helixtrans-64-25.3-178.7-71.7-169.7000113.1V365 D366 R369 Q393 T530 R537V365-H534 WeakPolarHBondContact CG1-CE1 3.11Å; D366-H534 PolarHBondContact N-ND1 2.69Å; D366-H534 VanDerWaalsContact N-ND1 3.15Å; R369-H534 WeakPolarHBondContact CB-CE1 3.45Å; R369-H534 PolarHBondContact O-CE1 3.41Å; Q393-H534 PolarHBondContact O-NE2 3.17Å; T530-H534 WeakPolarHBondContact O-CB 3.37Å; T530-H534 PolarHBondContact O-N 2.99Å; H534-R537 VanDerWaalsContact O-CZ 3.28Å; H534-R537 PolarHBondContact O-NH1 3.41Å; H534-R537 PolarHBondContact O-NH2 3.12Å
535S94.3Very high92.1Very high6 Ų645.5 Ų45.54%0.04223%0.233CC..Hα-helixtrans-96.5-9.517871.30000115.3I531 F532 E533 R537 S549 I550I531-S535 WeakPolarHBondContact O-CB 3.44Å; I531-S535 PolarHBondContact O-N 3Å; I531-S535 PolarHBondContact O-OG 3.48Å; F532-S535 PolarHBondContact O-OG 2.84Å; E533-S535 PolarHBondContact O-N 3Å; S535-R537 PolarHBondContact O-N 2.57Å; S535-S549 VanDerWaalsContact O-CB 3.28Å; S535-S549 WeakPolarHBondContact O-CB 3.26Å; S535-S549 PolarHBondContact O-N 2.81Å; S535-I550 WeakPolarHBondContact OG-CG1 3.33Å
536F94.9Very high92Very high6 Ų645.9 Ų45.93%0.02623%0.234CC..EExtended strand (participates in β ladder)trans-69128.6-177.4-177.9-104.8000112.5F62 K66 L67 L70 F532 E533 V538 T546 L548F62-F536 HydrophobicContact CD2-CB 4.49Å; F62-F536 AromaticContact CD2-CD1 3.94Å; F62-F536 HydrophobicContact CD2-CD1 3.94Å; F62-F536 HydrophobicContact CE2-CB 4.15Å; F62-F536 AromaticContact CE2-CD1 3.92Å; F62-F536 HydrophobicContact CE2-CD1 3.92Å; F62-F536 HydrophobicContact CE2-CG 4.36Å; K66-F536 HydrophobicContact CB-CE1 4.37Å; K66-F536 HydrophobicContact CB-CZ 3.8Å; L67-F536 HydrophobicContact CB-CD1 4.33Å; L67-F536 HydrophobicContact CB-CD2 4.05Å; L67-F536 HydrophobicContact CB-CE1 4.45Å; L67-F536 HydrophobicContact CB-CE2 4.16Å; L67-F536 HydrophobicContact CB-CG 4.12Å; L67-F536 HydrophobicContact CB-CZ 4.35Å; L67-F536 HydrophobicContact CD1-CB 4.04Å; L67-F536 HydrophobicContact CD1-CD2 3.58Å; L67-F536 HydrophobicContact CD1-CE2 4.26Å; L67-F536 HydrophobicContact CD1-CG 3.97Å; L67-F536 HydrophobicContact CD2-CB 4.44Å; L67-F536 HydrophobicContact CG-CD2 4.38Å; L67-F536 HydrophobicContact CG-CG 4.47Å; L70-F536 HydrophobicContact CD2-CD2 4.16Å; L70-F536 HydrophobicContact CD2-CE2 3.9Å; F532-F536 WeakPolarHBondContact O-CB 3.44Å; F532-F536 PolarHBondContact O-N 2.99Å; E533-F536 PolarHBondContact O-N 2.65Å; F536-V538 HydrophobicContact CE1-CG2 4.23Å; F536-V538 HydrophobicContact CZ-CG2 4.46Å; F536-T546 HydrophobicContact CE2-CG2 3.75Å; F536-T546 HydrophobicContact CZ-CG2 3.56Å; F536-L548 HydrophobicContact CB-CD2 4.29Å; F536-L548 HydrophobicContact CD2-CD2 4.2Å
537R92.4Very high91.8Very high96 Ų9644.5 Ų44.536%0.36223%0.229SC..EExtended strand (participates in β ladder)trans-140.3156.7179.7-60.1-65.6178.3-81.9-7.2110.9H534 S535 T546 Y547H534-R537 VanDerWaalsContact O-CZ 3.28Å; H534-R537 PolarHBondContact O-NH1 3.41Å; H534-R537 PolarHBondContact O-NH2 3.12Å; S535-R537 PolarHBondContact O-N 2.57Å; R537-T546 CarbonylContact O-C 3.59Å; R537-T546 WeakPolarHBondContact O-CA 3.31Å; R537-Y547 HydrophobicContact CB-CD1 3.8Å; R537-Y547 HydrophobicContact CB-CD2 4.34Å; R537-Y547 HydrophobicContact CB-CE1 3.31Å; R537-Y547 HydrophobicContact CB-CE2 3.9Å; R537-Y547 HydrophobicContact CB-CG 4.3Å; R537-Y547 HydrophobicContact CG-CE1 4.3Å; R537-Y547 HydrophobicContact CG-CE2 4.14Å; R537-Y547 PolarHBondContact N-O 2.75Å; R537-Y547 PolarHBondContact O-N 3.37Å
538V91.7Very high91.7Very high42 Ų4244.5 Ų44.526%0.25523%0.229SC..EExtended strand (participates in β ladder)trans-114.7141.7170.9-169.80000107.7F536 T546F536-V538 HydrophobicContact CE1-CG2 4.23Å; F536-V538 HydrophobicContact CZ-CG2 4.46Å; V538-T546 HydrophobicContact CG2-CG2 4.4Å
539R90.4Very high91.6Very high27 Ų2746.3 Ų46.310%0.10224%0.242CC..EExtended strand (participates in β ladder)trans-72.5138.1173.9-65.1-62.5-179.6-1784.2110.7G541 D542 R545 Y547 D605 R632 D633R539-G541 PolarHBondContact O-N 2.98Å; R539-D542 PolarHBondContact O-N 2.61Å; R539-R545 HydrophobicContact CB-CB 3.97Å; R539-R545 HydrophobicContact CG-CB 3.77Å; R539-R545 VanDerWaalsContact CG-O 3.32Å; R539-R545 WeakPolarHBondContact CG-O 3.32Å; R539-R545 PolarHBondContact N-O 3.06Å; R539-Y547 HydrophobicContact CG-CD1 4.13Å; R539-Y547 HydrophobicContact CG-CE1 4.28Å; R539-D605 IonicContact CZ-OD2 2.69Å; R539-D605 IonicContact NE-OD2 3.48Å; R539-D605 IonicContact NH2-OD2 3.04Å; R539-D605 PolarHBondContact NH2-OD2 3.43Å; R539-R632 PolarHBondContact NH1-O 2.89Å; R539-R632 PolarHBondContact NH2-O 2.87Å; R539-D633 PolarHBondContact NH1-O 3.4Å
540E85.6Confident91.5Very high177 Ų17746.3 Ų46.383%0.82724%0.242SC*.THydrogen-bonded Turntrans-54.1139.2166.1-158.4-152.8155.600110.1D542E540-D542 PolarHBondContact O-N 2.67Å; E540-D542 VanDerWaalsContact O-N 3.16Å
541G83.4Confident91.3Very high88 Ų8847.5 Ų47.591%0.90725%0.25SC*.THydrogen-bonded Turntrans73.9-8.6178.900000116.9R539R539-G541 PolarHBondContact O-N 2.98Å
542D84.1Confident91Very high62 Ų6249.1 Ų49.133%0.33226%0.261SS..EExtended strand (participates in β ladder)trans-145.191.9177.6-172.5-16.2000112.1R539 E540 Q544 R545R539-D542 PolarHBondContact O-N 2.61Å; E540-D542 PolarHBondContact O-N 2.67Å; E540-D542 VanDerWaalsContact O-N 3.16Å; D542-Q544 PolarHBondContact O-N 2.81Å; D542-Q544 WeakPolarHBondContact OD1-CB 3.44Å; D542-Q544 PolarHBondContact OD1-N 3Å; D542-R545 HydrophobicContact CB-CB 4.19Å; D542-R545 HydrophobicContact CB-CG 4.22Å; D542-R545 PolarHBondContact O-N 2.76Å; D542-R545 PolarHBondContact OD1-N 3.34Å; D542-R545 WeakPolarHBondContact OD2-CD 3.28Å; D542-R545 WeakPolarHBondContact OD2-CG 3.47Å
543E81.9Confident90.7Very high140 Ų14050.2 Ų50.265%0.65427%0.268SS*.EExtended strand (participates in β ladder)trans-57.2-19.6177.6-81.3-162.3-118.200114.9K66K66-E543 IonicContact NZ-OE2 2.59Å; K66-E543 PolarHBondContact NZ-OE2 3.32Å
544Q84.1Confident90.7Very high168 Ų16850 Ų5079%0.78527%0.267SS*.EExtended strand (participates in β ladder)trans-85.6-15.3178.7-55.8-171.213.100112.2D542 T546 Q606D542-Q544 PolarHBondContact O-N 2.81Å; D542-Q544 WeakPolarHBondContact OD1-CB 3.44Å; D542-Q544 PolarHBondContact OD1-N 3Å; Q544-T546 VanDerWaalsContact C-N 3.35Å; Q544-T546 PolarHBondContact O-N 3.37Å; Q544-Q606 PolarHBondContact O-NE2 2.67Å
545R88.9Confident90.7Very high61 Ų6149.7 Ų49.723%0.2327%0.265CS..EExtended strand (participates in β ladder)trans-9170.4176.7-72.2-179.868.6-153.2-4.9111R539 D542 A602 M635R539-R545 HydrophobicContact CB-CB 3.97Å; R539-R545 HydrophobicContact CG-CB 3.77Å; R539-R545 VanDerWaalsContact CG-O 3.32Å; R539-R545 WeakPolarHBondContact CG-O 3.32Å; R539-R545 PolarHBondContact N-O 3.06Å; D542-R545 HydrophobicContact CB-CB 4.19Å; D542-R545 HydrophobicContact CB-CG 4.22Å; D542-R545 PolarHBondContact O-N 2.76Å; D542-R545 PolarHBondContact OD1-N 3.34Å; D542-R545 WeakPolarHBondContact OD2-CD 3.28Å; D542-R545 WeakPolarHBondContact OD2-CG 3.47Å; R545-A602 HydrophobicContact CG-CB 4.18Å; R545-M635 PolarHBondContact NH2-SD 2.91Å; R545-M635 VanDerWaalsContact NH2-SD 3.44Å
546T93.8Very high90.7Very high13 Ų1349.6 Ų49.68%0.0827%0.265CS..EExtended strand (participates in β ladder)trans-65.2151.2160.651.90000111.3F536 R537 V538 Q544 Q606F536-T546 HydrophobicContact CE2-CG2 3.75Å; F536-T546 HydrophobicContact CZ-CG2 3.56Å; R537-T546 CarbonylContact O-C 3.59Å; R537-T546 WeakPolarHBondContact O-CA 3.31Å; V538-T546 HydrophobicContact CG2-CG2 4.4Å; Q544-T546 VanDerWaalsContact C-N 3.35Å; Q544-T546 PolarHBondContact O-N 3.37Å; T546-Q606 WeakPolarHBondContact O-CG 3.33Å; T546-Q606 PolarHBondContact OG1-NE2 2.95Å
547Y94.7Very high90.8Very high30 Ų3052.6 Ų52.612%0.11828%0.276CS..EExtended strand (participates in β ladder)trans-150.2165.4170.171.4-79.8000111.5R537 R539 R632 D633R537-Y547 HydrophobicContact CB-CD1 3.8Å; R537-Y547 HydrophobicContact CB-CD2 4.34Å; R537-Y547 HydrophobicContact CB-CE1 3.31Å; R537-Y547 HydrophobicContact CB-CE2 3.9Å; R537-Y547 HydrophobicContact CB-CG 4.3Å; R537-Y547 HydrophobicContact CG-CE1 4.3Å; R537-Y547 HydrophobicContact CG-CE2 4.14Å; R537-Y547 PolarHBondContact N-O 2.75Å; R537-Y547 PolarHBondContact O-N 3.37Å; R539-Y547 HydrophobicContact CG-CD1 4.13Å; R539-Y547 HydrophobicContact CG-CE1 4.28Å; Y547-R632 HydrophobicContact CD2-CG 4.35Å; Y547-D633 VanDerWaalsContact CE2-OD1 3.25Å; Y547-D633 WeakPolarHBondContact CE2-OD1 3.47Å
548L95.2Very high90.9Very high0 Ų049 Ų490%026%0.263CS..EExtended strand (participates in β ladder)trans-118.6109.2180-71.8168.9000109.3L67 L70 L71 F76 F532 F536 I550 D605 A608 R632L67-L548 HydrophobicContact CD1-CD2 4.14Å; L70-L548 HydrophobicContact CD2-CD1 4.21Å; L70-L548 HydrophobicContact CD2-CD2 4.48Å; L70-L548 HydrophobicContact CD2-CG 4.03Å; L71-L548 HydrophobicContact CD2-CD1 4.34Å; F76-L548 HydrophobicContact CE1-CD1 4.32Å; F76-L548 HydrophobicContact CE2-CD1 3.84Å; F76-L548 HydrophobicContact CZ-CD1 3.6Å; F532-L548 HydrophobicContact CD1-CD1 4.29Å; F532-L548 HydrophobicContact CD1-CD2 4.48Å; F536-L548 HydrophobicContact CB-CD2 4.29Å; F536-L548 HydrophobicContact CD2-CD2 4.2Å; L548-I550 HydrophobicContact CB-CD1 3.88Å; L548-I550 HydrophobicContact CB-CG1 4.05Å; L548-I550 HydrophobicContact CD1-CD1 4.27Å; L548-I550 PolarHBondContact O-N 3Å; L548-D605 PolarHBondContact N-O 2.83Å; L548-A608 HydrophobicContact CB-CB 3.78Å; L548-A608 HydrophobicContact CD1-CB 4.45Å; L548-R632 WeakPolarHBondContact O-CD 3.3Å; L548-R632 VanDerWaalsContact O-CZ 3.26Å; L548-R632 PolarHBondContact O-NE 2.83Å; L548-R632 PolarHBondContact O-NH1 3.28Å
549S94.7Very high91.1Very high40 Ų4047 Ų4728%0.2825%0.251SS..  trans-74.939.5-177.2-166.10000113.4S535 D633S535-S549 VanDerWaalsContact O-CB 3.28Å; S535-S549 WeakPolarHBondContact O-CB 3.26Å; S535-S549 PolarHBondContact O-N 2.81Å; S549-D633 PolarHBondContact OG-OD1 2.66Å
550I94.3Very high91.5Very high1 Ų145.7 Ų45.71%0.00525%0.246CC..  trans-74.6141.4-170.6-65.3173.8000111.6M100 I531 F532 S535 L548 L554 A608 R632M100-I550 HydrophobicContact CE-CD1 3.65Å; M100-I550 HydrophobicContact CE-CG2 4.49Å; M100-I550 HydrophobicContact SD-CD1 3.79Å; I531-I550 HydrophobicContact CG2-CD1 4.39Å; I531-I550 HydrophobicContact CG2-CG1 4.08Å; I531-I550 HydrophobicContact CG2-CG2 4.35Å; F532-I550 HydrophobicContact CD1-CD1 4.15Å; F532-I550 HydrophobicContact CE1-CD1 4.25Å; S535-I550 WeakPolarHBondContact OG-CG1 3.33Å; L548-I550 HydrophobicContact CB-CD1 3.88Å; L548-I550 HydrophobicContact CB-CG1 4.05Å; L548-I550 HydrophobicContact CD1-CD1 4.27Å; L548-I550 PolarHBondContact O-N 3Å; I550-L554 HydrophobicContact CG2-CB 3.73Å; I550-A608 HydrophobicContact CB-CB 4.2Å; I550-A608 HydrophobicContact CD1-CB 3.81Å; I550-A608 HydrophobicContact CG1-CB 4.3Å; I550-R632 VanDerWaalsContact O-CZ 3.28Å; I550-R632 PolarHBondContact O-NH1 2.97Å; I550-R632 PolarHBondContact O-NH2 2.82Å
551S90.9Very high92Very high25 Ų2537.2 Ų37.218%0.17521%0.206CC..  trans-50.1136.6176175.70000112.2H362 V553 L554 A555H362-S551 PolarHBondContact O-OG 2.89Å; S551-V553 PolarHBondContact O-N 3.12Å; S551-V553 VanDerWaalsContact O-N 3.13Å; S551-L554 PolarHBondContact O-N 3.23Å; S551-A555 PolarHBondContact O-N 3.39Å
552P91Very high92.7Very high35 Ų3533 Ų3323%0.22716%0.163CC..THydrogen-bonded Turntrans-53.8-32.1177.3-27.435.6000113.9L554 A555 K558 P610 Y611P552-L554 VanDerWaalsContact C-N 3.32Å; P552-L554 PolarHBondContact O-N 3.46Å; P552-A555 PolarHBondContact O-N 3.02Å; P552-K558 VanDerWaalsContact O-CD 3.32Å; P552-K558 WeakPolarHBondContact O-CD 3.47Å; P552-K558 WeakPolarHBondContact O-CE 3.3Å; P552-K558 PolarHBondContact O-NZ 2.89Å; P552-P610 HydrophobicContact CB-CG 4.22Å; P552-P610 HydrophobicContact CG-CB 4.25Å; P552-P610 HydrophobicContact CG-CG 4.45Å; P552-Y611 HydrophobicContact CB-CE2 4.44Å; P552-Y611 HydrophobicContact CG-CE2 4.25Å
553V89.9Confident93.2Very high26 Ų2630.3 Ų30.316%0.15815%0.149CC..THydrogen-bonded Turntrans-56.6-45.5175.2-178.20000110.9A107 S551 K558A107-V553 HydrophobicContact CB-CG1 3.95Å; S551-V553 PolarHBondContact O-N 3.12Å; S551-V553 VanDerWaalsContact O-N 3.13Å; V553-K558 PolarHBondContact O-NZ 3.01Å
554L93.7Very high93.8Very high0 Ų026 Ų260%013%0.13CC..THydrogen-bonded Turntrans-84.9-25.3179.7-67.7-158.6000114.9N103 L104 I363 I531 I550 S551 P552N103-L554 HydrophobicContact CB-CD2 4.44Å; N103-L554 PolarHBondContact ND2-O 3.21Å; L104-L554 VanDerWaalsContact CA-CD2 3.48Å; L104-L554 HydrophobicContact CB-CD2 3.83Å; L104-L554 HydrophobicContact CD1-CD1 4.36Å; L104-L554 HydrophobicContact CD1-CD2 4.03Å; I363-L554 HydrophobicContact CB-CD1 3.96Å; I363-L554 HydrophobicContact CB-CD2 4.42Å; I363-L554 HydrophobicContact CB-CG 4.2Å; I363-L554 HydrophobicContact CG2-CD2 4.32Å; I363-L554 WeakPolarHBondContact O-CD1 3.46Å; I531-L554 HydrophobicContact CD1-CD1 3.51Å; I531-L554 HydrophobicContact CG1-CD1 4.45Å; I531-L554 HydrophobicContact CG2-CD1 4.31Å; I550-L554 HydrophobicContact CG2-CB 3.73Å; S551-L554 PolarHBondContact O-N 3.23Å; P552-L554 VanDerWaalsContact C-N 3.32Å; P552-L554 PolarHBondContact O-N 3.46Å
555A95.2Very high94.1Very high0 Ų020 Ų200%011%0.107CC..  trans-55.2132-170.700000112.8N103 S551 P552 Y557 K558 P610N103-A555 PolarHBondContact ND2-O 3.12Å; S551-A555 PolarHBondContact O-N 3.39Å; P552-A555 PolarHBondContact O-N 3.02Å; A555-Y557 PolarHBondContact O-N 3.15Å; A555-K558 PolarHBondContact O-NZ 2.99Å; A555-P610 HydrophobicContact CB-CG 3.93Å
556P94.4Very high94.2Very high5 Ų521.9 Ų21.93%0.03212%0.122CC..SBendtrans-67.4-35.4-167.825.1-33.3000112.9M96 A99 M100 S587M96-P556 HydrophobicContact SD-CB 4.49Å; M96-P556 HydrophobicContact SD-CG 4.23Å; A99-P556 HydrophobicContact CB-CB 3.56Å; M100-P556 HydrophobicContact CG-CB 4.21Å; M100-P556 HydrophobicContact CG-CG 4.2Å; P556-S587 PolarHBondContact O-OG 3.12Å
557Y95.7Very high94Very high68 Ų6823.2 Ų23.227%0.26713%0.127SC..SBendtrans-117.3137160.5-59.7-66000108.7M96 A555 S587 R589 I609 P610M96-Y557 HydrophobicContact CE-CD2 4.37Å; M96-Y557 HydrophobicContact CE-CE2 3.55Å; M96-Y557 HydrophobicContact SD-CD2 4.41Å; M96-Y557 HydrophobicContact SD-CE2 4.04Å; A555-Y557 PolarHBondContact O-N 3.15Å; Y557-S587 WeakPolarHBondContact CA-OG 3.29Å; Y557-R589 HydrophobicContact CD1-CB 4.39Å; Y557-R589 HydrophobicContact CD2-CB 3.76Å; Y557-R589 HydrophobicContact CE2-CB 3.94Å; Y557-R589 HydrophobicContact CE2-CG 4.31Å; Y557-R589 HydrophobicContact CG-CB 3.99Å; Y557-I609 HydrophobicContact CD2-CD1 4Å; Y557-I609 HydrophobicContact CD2-CG1 4.48Å; Y557-I609 HydrophobicContact CG-CD1 4.42Å; Y557-P610 VanDerWaalsContact O-CD 3.26Å; Y557-P610 WeakPolarHBondContact O-CD 3.3Å
558K95.3Very high93.9Very high20 Ų2025.1 Ų25.19%0.08715%0.149CC..SBendtrans-77.2-34.1178.6-49.5-53.7-178.5-164.20111.8N103 P552 V553 A555 V586 S587 P610 M649 A653N103-K558 PolarHBondContact ND2-NZ 3.1Å; P552-K558 VanDerWaalsContact O-CD 3.32Å; P552-K558 WeakPolarHBondContact O-CD 3.47Å; P552-K558 WeakPolarHBondContact O-CE 3.3Å; P552-K558 PolarHBondContact O-NZ 2.89Å; V553-K558 PolarHBondContact O-NZ 3.01Å; A555-K558 PolarHBondContact O-NZ 2.99Å; K558-V586 HydrophobicContact CB-CG1 3.9Å; K558-V586 HydrophobicContact CG-CG1 4.49Å; K558-S587 PolarHBondContact N-O 3.17Å; K558-P610 WeakPolarHBondContact O-CD 3.2Å; K558-P610 WeakPolarHBondContact O-CG 3.45Å; K558-M649 HydrophobicContact CB-CE 4.46Å; K558-A653 HydrophobicContact CB-CB 4.01Å; K558-A653 HydrophobicContact CD-CB 4.19Å; K558-A653 HydrophobicContact CG-CB 3.75Å
559C96.7Very high93.9Very high0 Ų029 Ų290%017%0.17CC..EExtended strand (participates in β ladder)trans-142.6171.6172.262.10000114.1S587 H588 R589 I609 Y611 I613 M649C559-S587 PolarHBondContact N-O 3.06Å; C559-H588 WeakPolarHBondContact O-CA 3.45Å; C559-H588 VanDerWaalsContact SG-CB 3.5Å; C559-R589 PolarHBondContact O-N 3.44Å; C559-R589 VanDerWaalsContact O-N 3.09Å; C559-I609 VanDerWaalsContact C-CG2 3.43Å; C559-Y611 CarbonylContact C-O 3.58Å; C559-Y611 VanDerWaalsContact CA-O 3.23Å; C559-Y611 WeakPolarHBondContact CA-O 3.26Å; C559-I613 HydrophobicContact CB-CD1 3.93Å; C559-I613 HydrophobicContact CB-CG1 4.44Å; C559-M649 HydrophobicContact CB-CE 3.65Å; C559-M649 HydrophobicContact CB-SD 4Å
560S97.4Very high93.8Very high0 Ų027.2 Ų27.20%016%0.157CC..EExtended strand (participates in β ladder)trans-126.5142.8171.749.10000111.1R589 Y611 G612 I613S560-R589 CarbonylContact C-O 3.52Å; S560-R589 WeakPolarHBondContact CA-O 3.38Å; S560-R589 WeakPolarHBondContact CB-O 3.47Å; S560-Y611 PolarHBondContact N-O 2.68Å; S560-Y611 PolarHBondContact OG-O 2.84Å; S560-G612 WeakPolarHBondContact OG-CA 3.37Å; S560-I613 WeakPolarHBondContact O-CB 3.41Å; S560-I613 PolarHBondContact O-N 2.79Å
561L97Very high93.8Very high0 Ų029.2 Ų29.20%017%0.169CC..EExtended strand (participates in β ladder)trans-102.5119.2176.5-68.3-173.4000110.1L577 L581 R589 V590 D591 I613L561-L577 HydrophobicContact CD2-CD2 3.8Å; L561-L577 HydrophobicContact CD2-CG 4.11Å; L561-L581 HydrophobicContact CD1-CD1 4.18Å; L561-L581 HydrophobicContact CD2-CD1 3.73Å; L561-L581 HydrophobicContact CG-CD1 4.13Å; L561-R589 PolarHBondContact N-O 3.48Å; L561-V590 HydrophobicContact CB-CB 4.43Å; L561-V590 HydrophobicContact CB-CG1 4.13Å; L561-V590 HydrophobicContact CB-CG2 4.27Å; L561-V590 HydrophobicContact CD1-CG2 4.3Å; L561-V590 WeakPolarHBondContact O-CA 3.29Å; L561-D591 PolarHBondContact O-N 3.3Å; L561-I613 HydrophobicContact CD2-CB 3.84Å; L561-I613 HydrophobicContact CD2-CD1 3.77Å; L561-I613 HydrophobicContact CD2-CG1 4.42Å; L561-I613 HydrophobicContact CD2-CG2 3.86Å
562L97.1Very high94Very high0 Ų031.4 Ų31.40%018%0.183CC..EExtended strand (participates in β ladder)trans-131.192.3-167.2-57.2174.6000110.5L564 D591 I597 R600 Y601 T604 I613 T614 I615L562-L564 PolarHBondContact O-N 2.72Å; L562-D591 HydrophobicContact CD2-CB 3.74Å; L562-I597 HydrophobicContact CB-CD1 3.72Å; L562-I597 HydrophobicContact CD1-CD1 4.1Å; L562-I597 HydrophobicContact CG-CD1 4.46Å; L562-R600 HydrophobicContact CD2-CB 4.17Å; L562-Y601 HydrophobicContact CD1-CD1 3.52Å; L562-Y601 HydrophobicContact CD1-CE1 3.48Å; L562-Y601 VanDerWaalsContact CD1-CE1 3.48Å; L562-T604 HydrophobicContact CD2-CG2 4.47Å; L562-I613 WeakPolarHBondContact CB-O 3.42Å; L562-I613 PolarHBondContact N-O 3.33Å; L562-T614 WeakPolarHBondContact O-CA 3.42Å; L562-T614 WeakPolarHBondContact O-CG2 3.39Å; L562-I615 PolarHBondContact O-N 3.01Å
563P96.1Very high94.2Very high5 Ų530.4 Ų30.43%0.03218%0.176CC..EExtended strand (participates in β ladder)trans-66.1132.5170.828.2-34.2000109.6S565 F570 V574 E592 R600 I615P563-S565 PolarHBondContact O-N 2.79Å; P563-S565 VanDerWaalsContact O-N 3.09Å; P563-F570 HydrophobicContact CB-CB 3.69Å; P563-F570 HydrophobicContact CB-CD2 3.89Å; P563-F570 HydrophobicContact CB-CG 4.06Å; P563-V574 HydrophobicContact CB-CG2 3.89Å; P563-V574 HydrophobicContact CG-CG2 4.04Å; P563-E592 HydrophobicContact CG-CG 4.32Å; P563-R600 PolarHBondContact O-NH1 2.61Å; P563-R600 PolarHBondContact O-NH2 2.84Å; P563-I615 CarbonylContact C-O 3.54Å; P563-I615 WeakPolarHBondContact CA-O 3.23Å
564L93.9Very high94.5Very high48 Ų4829.3 Ų29.325%0.25117%0.169SC..SBendtrans-54.4-37.6-169.3177.964.4000112.9L562 F570 I597 R600 I615 D616 F617L562-L564 PolarHBondContact O-N 2.72Å; L564-F570 HydrophobicContact CB-CE2 4.25Å; L564-F570 HydrophobicContact CB-CZ 4.36Å; L564-I597 HydrophobicContact CD1-CB 4.26Å; L564-I597 HydrophobicContact CD1-CG2 4.14Å; L564-R600 PolarHBondContact O-NH2 2.72Å; L564-I615 WeakPolarHBondContact CB-O 3.36Å; L564-I615 PolarHBondContact N-O 2.6Å; L564-D616 HydrophobicContact CB-CB 4.1Å; L564-D616 HydrophobicContact CD2-CB 3.87Å; L564-F617 HydrophobicContact CD2-CD2 4.45Å
565S91.1Very high94.6Very high44 Ų4437.8 Ų37.831%0.30820%0.201SC..SBendtrans-138.7-176170.274.50000110.1P563 H567 F570P563-S565 PolarHBondContact O-N 2.79Å; P563-S565 VanDerWaalsContact O-N 3.09Å; S565-H567 PolarHBondContact O-N 3.2Å; S565-H567 PolarHBondContact OG-N 3.42Å; S565-F570 WeakPolarHBondContact O-CD2 3.22Å
566N89.7Confident94.6Very high100 Ų10041.4 Ų41.454%0.53522%0.217SC..SBendtrans-84.531.7176.6-69.152.8000112.6E592N566-E592 PolarHBondContact ND2-O 3.23Å
567H91.1Very high94.7Very high41 Ų4141.5 Ų41.519%0.1922%0.217CC..  trans-68.1136.6178.4-158-93.2000111S565 D569 F570 F617 Q676S565-H567 PolarHBondContact O-N 3.2Å; S565-H567 PolarHBondContact OG-N 3.42Å; H567-D569 VanDerWaalsContact C-N 3.29Å; H567-D569 IonicContact CE1-OD1 2.57Å; H567-D569 PolarHBondContact CE1-OD1 2.8Å; H567-D569 IonicContact CE1-OD2 2.7Å; H567-D569 PolarHBondContact CE1-OD2 2.84Å; H567-D569 VanDerWaalsContact ND1-CG 3.33Å; H567-D569 IonicContact ND1-OD1 3.82Å; H567-D569 IonicContact ND1-OD2 2.69Å; H567-D569 PolarHBondContact ND1-OD2 3.09Å; H567-D569 PolarHBondContact O-N 3.29Å; H567-F570 HydrophobicContact CB-CD2 3.66Å; H567-F570 HydrophobicContact CB-CE2 3.62Å; H567-F570 HydrophobicContact CB-CG 4.41Å; H567-F570 HydrophobicContact CB-CZ 4.31Å; H567-F570 PolarHBondContact O-N 3.27Å; H567-F617 HydrophobicContact CB-CE1 4.25Å; H567-F617 HydrophobicContact CB-CZ 4.4Å; H567-F617 AromaticContact CG-CE1 3.94Å; H567-Q676 PolarHBondContact CD2-NE2 2.88Å; H567-Q676 PolarHBondContact NE2-NE2 3.49Å
568A92.2Very high94.7Very high70 Ų7039.7 Ų39.758%0.57921%0.214SC*.THydrogen-bonded Turntrans-58.7-40.6-173.900000112.5F570 V571 P572A568-F570 PolarHBondContact O-N 3.05Å; A568-F570 VanDerWaalsContact O-N 3.15Å; A568-V571 VanDerWaalsContact O-CB 3.3Å; A568-V571 WeakPolarHBondContact O-CB 3.47Å; A568-V571 WeakPolarHBondContact O-CG2 3.36Å; A568-V571 PolarHBondContact O-N 3Å; A568-P572 WeakPolarHBondContact O-CD 3.47Å
569D94Very high94.8Very high82 Ų8241.7 Ų41.744%0.43923%0.231SC..THydrogen-bonded Turntrans-62.8-20.2-177-51.55.3000114H567 P572 L620H567-D569 VanDerWaalsContact C-N 3.29Å; H567-D569 IonicContact CE1-OD1 2.57Å; H567-D569 PolarHBondContact CE1-OD1 2.8Å; H567-D569 IonicContact CE1-OD2 2.7Å; H567-D569 PolarHBondContact CE1-OD2 2.84Å; H567-D569 VanDerWaalsContact ND1-CG 3.33Å; H567-D569 IonicContact ND1-OD1 3.82Å; H567-D569 IonicContact ND1-OD2 2.69Å; H567-D569 PolarHBondContact ND1-OD2 3.09Å; H567-D569 PolarHBondContact O-N 3.29Å; D569-P572 WeakPolarHBondContact O-CD 3.39Å; D569-L620 HydrophobicContact CB-CD1 3.5Å; D569-L620 WeakPolarHBondContact O-CD2 3.41Å
570F94.2Very high94.8Very high1 Ų143.8 Ų43.80%0.00424%0.241CC..Hα-helixtrans-74.9-26.7173.1-58.7-39.7000112.2P563 L564 S565 H567 A568 V573 V574 I615 D616 F617 L620P563-F570 HydrophobicContact CB-CB 3.69Å; P563-F570 HydrophobicContact CB-CD2 3.89Å; P563-F570 HydrophobicContact CB-CG 4.06Å; L564-F570 HydrophobicContact CB-CE2 4.25Å; L564-F570 HydrophobicContact CB-CZ 4.36Å; S565-F570 WeakPolarHBondContact O-CD2 3.22Å; H567-F570 HydrophobicContact CB-CD2 3.66Å; H567-F570 HydrophobicContact CB-CE2 3.62Å; H567-F570 HydrophobicContact CB-CG 4.41Å; H567-F570 HydrophobicContact CB-CZ 4.31Å; H567-F570 PolarHBondContact O-N 3.27Å; A568-F570 PolarHBondContact O-N 3.05Å; A568-F570 VanDerWaalsContact O-N 3.15Å; F570-V573 PolarHBondContact O-N 3.49Å; F570-V573 VanDerWaalsContact O-N 3.1Å; F570-V574 WeakPolarHBondContact O-CG2 3.4Å; F570-V574 PolarHBondContact O-N 2.73Å; F570-I615 HydrophobicContact CB-CG2 4.16Å; F570-I615 HydrophobicContact CD1-CG2 3.74Å; F570-I615 HydrophobicContact CE1-CG2 4.5Å; F570-I615 HydrophobicContact CG-CG2 4.16Å; F570-D616 VanDerWaalsContact CE1-O 3.28Å; F570-D616 WeakPolarHBondContact CE1-O 3.33Å; F570-F617 AromaticContact CE1-CD1 3.86Å; F570-F617 HydrophobicContact CE1-CD1 3.86Å; F570-F617 HydrophobicContact CE1-CE1 4.08Å; F570-F617 HydrophobicContact CE1-CG 4.34Å; F570-F617 HydrophobicContact CE2-CE1 4.17Å; F570-F617 HydrophobicContact CE2-CZ 4.18Å; F570-F617 AromaticContact CZ-CD1 3.6Å; F570-F617 HydrophobicContact CZ-CD1 3.6Å; F570-F617 HydrophobicContact CZ-CD2 4.22Å; F570-F617 AromaticContact CZ-CE1 3.48Å; F570-F617 HydrophobicContact CZ-CE1 3.48Å; F570-F617 VanDerWaalsContact CZ-CE1 3.48Å; F570-F617 HydrophobicContact CZ-CE2 4.11Å; F570-F617 AromaticContact CZ-CG 3.97Å; F570-F617 HydrophobicContact CZ-CG 3.97Å; F570-F617 AromaticContact CZ-CZ 3.74Å; F570-F617 HydrophobicContact CZ-CZ 3.74Å; F570-L620 HydrophobicContact CD1-CD1 3.55Å; F570-L620 HydrophobicContact CD1-CD2 4.36Å; F570-L620 HydrophobicContact CD1-CG 3.96Å; F570-L620 HydrophobicContact CE1-CD1 3.46Å; F570-L620 VanDerWaalsContact CE1-CD1 3.46Å; F570-L620 HydrophobicContact CE1-CG 3.95Å
571V94.1Very high94.8Very high43 Ų4343.8 Ų43.826%0.26124%0.241SC..Hα-helixtrans-62-41.7-172.6-179.60000113A568 V573 R575A568-V571 VanDerWaalsContact O-CB 3.3Å; A568-V571 WeakPolarHBondContact O-CB 3.47Å; A568-V571 WeakPolarHBondContact O-CG2 3.36Å; A568-V571 PolarHBondContact O-N 3Å; V571-V573 VanDerWaalsContact C-N 3.34Å; V571-V573 PolarHBondContact O-N 2.85Å; V571-R575 HydrophobicContact CG1-CG 4.39Å; V571-R575 WeakPolarHBondContact O-CB 3.43Å; V571-R575 VanDerWaalsContact O-CG 3.26Å; V571-R575 WeakPolarHBondContact O-CG 3.25Å; V571-R575 PolarHBondContact O-N 2.91Å
572P94.9Very high94.8Very high72 Ų7248.1 Ų48.147%0.46827%0.267SS..Hα-helixtrans-59.3-41.2171.8-25.135000113.3A568 D569 R575 K576A568-P572 WeakPolarHBondContact O-CD 3.47Å; D569-P572 WeakPolarHBondContact O-CD 3.39Å; P572-R575 PolarHBondContact O-N 3.34Å; P572-K576 PolarHBondContact O-N 2.77Å
573V94.8Very high94.7Very high14 Ų1454.5 Ų54.59%0.08530%0.295CS..Hα-helixtrans-69.3-46.9-179.7-174.10000110.8F570 V571 R575 K576 L577 I615 T619 L620 L642F570-V573 PolarHBondContact O-N 3.49Å; F570-V573 VanDerWaalsContact O-N 3.1Å; V571-V573 VanDerWaalsContact C-N 3.34Å; V571-V573 PolarHBondContact O-N 2.85Å; V573-R575 VanDerWaalsContact C-N 3.31Å; V573-R575 PolarHBondContact O-N 2.78Å; V573-K576 PolarHBondContact O-N 2.78Å; V573-L577 VanDerWaalsContact O-CB 3.28Å; V573-L577 WeakPolarHBondContact O-CB 3.45Å; V573-L577 PolarHBondContact O-N 3.01Å; V573-I615 HydrophobicContact CB-CD1 4.38Å; V573-I615 HydrophobicContact CB-CG2 4.22Å; V573-I615 HydrophobicContact CG1-CD1 3.87Å; V573-I615 HydrophobicContact CG1-CG1 4.17Å; V573-I615 HydrophobicContact CG1-CG2 4.09Å; V573-T619 HydrophobicContact CG1-CG2 3.98Å; V573-L620 HydrophobicContact CG2-CD2 3.71Å; V573-L642 HydrophobicContact CG1-CD1 3.72Å
574V96Very high94.6Very high3 Ų359.3 Ų59.32%0.01831%0.313CS..Hα-helixtrans-55.5-46.3174.6171.40000110.6P563 F570 S578 V590 I615P563-V574 HydrophobicContact CB-CG2 3.89Å; P563-V574 HydrophobicContact CG-CG2 4.04Å; F570-V574 WeakPolarHBondContact O-CG2 3.4Å; F570-V574 PolarHBondContact O-N 2.73Å; V574-S578 WeakPolarHBondContact O-CB 3.49Å; V574-S578 PolarHBondContact O-N 3.27Å; V574-V590 HydrophobicContact CG1-CG1 3.53Å; V574-I615 HydrophobicContact CB-CD1 4.35Å; V574-I615 HydrophobicContact CG2-CD1 3.63Å
575R95.9Very high94.6Very high177 Ų17762.5 Ų62.567%0.66834%0.339SS*.Hα-helixtrans-66.9-44.9179.7-73.8176.7-174.3-178.74.9113.1V571 P572 V573 S579V571-R575 HydrophobicContact CG1-CG 4.39Å; V571-R575 WeakPolarHBondContact O-CB 3.43Å; V571-R575 VanDerWaalsContact O-CG 3.26Å; V571-R575 WeakPolarHBondContact O-CG 3.25Å; V571-R575 PolarHBondContact O-N 2.91Å; P572-R575 PolarHBondContact O-N 3.34Å; V573-R575 VanDerWaalsContact C-N 3.31Å; V573-R575 PolarHBondContact O-N 2.78Å; R575-S579 PolarHBondContact O-N 2.73Å
576K95.2Very high94.8Very high77 Ų7760.6 Ų60.634%0.33533%0.326SS..Hα-helixtrans-60.4-52.2175.8-172.4-174177-173.20109.7P572 V573 S578 S579 E580 I697 L699P572-K576 PolarHBondContact O-N 2.77Å; V573-K576 PolarHBondContact O-N 2.78Å; K576-S578 VanDerWaalsContact C-N 3.32Å; K576-S578 PolarHBondContact O-N 3.34Å; K576-S579 CarbonylContact O-C 3.58Å; K576-S579 WeakPolarHBondContact O-CA 3.32Å; K576-S579 WeakPolarHBondContact O-CB 3.5Å; K576-S579 PolarHBondContact O-N 2.88Å; K576-E580 HydrophobicContact CG-CG 4.34Å; K576-E580 WeakPolarHBondContact O-CG 3.44Å; K576-E580 PolarHBondContact O-N 3.21Å; K576-I697 HydrophobicContact CD-CG2 3.57Å; K576-I697 PolarHBondContact NZ-O 3.48Å; K576-L699 HydrophobicContact CD-CD2 4.42Å
577L96Very high95Very high6 Ų657.9 Ų57.93%0.03132%0.315CS..Hα-helixtrans-65.4-35.2-175-171.360.1000112.8L561 V573 E580 L581 I613 I615 L642 L645 P646L561-L577 HydrophobicContact CD2-CD2 3.8Å; L561-L577 HydrophobicContact CD2-CG 4.11Å; V573-L577 VanDerWaalsContact O-CB 3.28Å; V573-L577 WeakPolarHBondContact O-CB 3.45Å; V573-L577 PolarHBondContact O-N 3.01Å; L577-E580 PolarHBondContact O-N 2.59Å; L577-L581 HydrophobicContact CG-CD1 4.25Å; L577-L581 WeakPolarHBondContact O-CB 3.21Å; L577-L581 VanDerWaalsContact O-CG 3.3Å; L577-L581 WeakPolarHBondContact O-CG 3.4Å; L577-L581 PolarHBondContact O-N 3.12Å; L577-I613 HydrophobicContact CD2-CG2 3.89Å; L577-I615 HydrophobicContact CD2-CD1 4.11Å; L577-L642 HydrophobicContact CD2-CD2 4.15Å; L577-L645 HydrophobicContact CD1-CD2 4.09Å; L577-L645 HydrophobicContact CD2-CD2 3.82Å; L577-L645 HydrophobicContact CG-CD2 4.46Å; L577-P646 HydrophobicContact CD1-CG 4.06Å
578S97.1Very high95.2Very high30 Ų3057.3 Ų57.321%0.2131%0.312CS..Hα-helixtrans-59.6-47.2169-1790000111.3V574 K576 E580 L581 T582 H588V574-S578 WeakPolarHBondContact O-CB 3.49Å; V574-S578 PolarHBondContact O-N 3.27Å; K576-S578 VanDerWaalsContact C-N 3.32Å; K576-S578 PolarHBondContact O-N 3.34Å; S578-E580 PolarHBondContact O-N 3.19Å; S578-L581 PolarHBondContact O-N 3.02Å; S578-T582 PolarHBondContact O-N 2.74Å; S578-T582 PolarHBondContact O-OG1 2.73Å; S578-H588 WeakPolarHBondContact CA-NE2 3.45Å; S578-H588 WeakPolarHBondContact CB-NE2 3.24Å; S578-H588 PolarHBondContact O-CE1 3.49Å; S578-H588 PolarHBondContact OG-NE2 2.89Å
579S97Very high95.4Very high63 Ų6358.8 Ų58.844%0.44130%0.303SS..Hα-helixtrans-63.9-37.2177.1-168.90000113.1R575 K576 K583R575-S579 PolarHBondContact O-N 2.73Å; K576-S579 CarbonylContact O-C 3.58Å; K576-S579 WeakPolarHBondContact O-CA 3.32Å; K576-S579 WeakPolarHBondContact O-CB 3.5Å; K576-S579 PolarHBondContact O-N 2.88Å; S579-K583 WeakPolarHBondContact O-CG 3.11Å; S579-K583 PolarHBondContact O-N 3.21Å
580E96.8Very high95.5Very high44 Ų4457.5 Ų57.521%0.20630%0.298CS..Hα-helixtrans-69.1-45.7175.6-58.5-47138.300111.3K576 L577 S578 T582 K583 Y584 P646K576-E580 HydrophobicContact CG-CG 4.34Å; K576-E580 WeakPolarHBondContact O-CG 3.44Å; K576-E580 PolarHBondContact O-N 3.21Å; L577-E580 PolarHBondContact O-N 2.59Å; S578-E580 PolarHBondContact O-N 3.19Å; E580-T582 PolarHBondContact O-N 2.95Å; E580-K583 WeakPolarHBondContact O-CB 3.35Å; E580-K583 PolarHBondContact O-N 3.32Å; E580-K583 IonicContact OE1-NZ 3.74Å; E580-K583 PolarHBondContact OE1-NZ 2.8Å; E580-K583 WeakPolarHBondContact OE2-CD 3.46Å; E580-K583 WeakPolarHBondContact OE2-CE 3.37Å; E580-K583 IonicContact OE2-NZ 3.91Å; E580-K583 PolarHBondContact OE2-NZ 3.48Å; E580-Y584 WeakPolarHBondContact O-CD2 3.19Å; E580-Y584 PolarHBondContact O-N 3.07Å; E580-Y584 VanDerWaalsContact O-N 3.11Å; E580-P646 HydrophobicContact CB-CB 4.33Å; E580-P646 HydrophobicContact CB-CG 3.84Å
581L96.5Very high95.5Very high0 Ų058.2 Ų58.20%030%0.302CS..Hα-helixtrans-58.7-35.4176-73.3166.8000112.3L561 L577 S578 Y584 S585 V586 H588 I613 P646 M649L561-L581 HydrophobicContact CD1-CD1 4.18Å; L561-L581 HydrophobicContact CD2-CD1 3.73Å; L561-L581 HydrophobicContact CG-CD1 4.13Å; L577-L581 HydrophobicContact CG-CD1 4.25Å; L577-L581 WeakPolarHBondContact O-CB 3.21Å; L577-L581 VanDerWaalsContact O-CG 3.3Å; L577-L581 WeakPolarHBondContact O-CG 3.4Å; L577-L581 PolarHBondContact O-N 3.12Å; S578-L581 PolarHBondContact O-N 3.02Å; L581-Y584 CarbonylContact O-C 3.59Å; L581-Y584 PolarHBondContact O-N 3.35Å; L581-S585 PolarHBondContact O-N 3.3Å; L581-V586 HydrophobicContact CB-CB 4.31Å; L581-V586 HydrophobicContact CD2-CB 3.96Å; L581-V586 HydrophobicContact CD2-CG1 4.04Å; L581-V586 HydrophobicContact CD2-CG2 4.18Å; L581-V586 PolarHBondContact O-N 3.36Å; L581-H588 HydrophobicContact CD1-CB 4.47Å; L581-I613 HydrophobicContact CD1-CD1 3.97Å; L581-P646 HydrophobicContact CD2-CB 4.31Å; L581-M649 HydrophobicContact CD2-CB 3.89Å; L581-M649 HydrophobicContact CD2-CG 4.1Å
582T96.6Very high95.2Very high90 Ų9060.2 Ų60.255%0.55231%0.308SS*.Hα-helixtrans-65.1-37.9171.4-68.50000113S578 E580 Y584 S585 H588S578-T582 PolarHBondContact O-N 2.74Å; S578-T582 PolarHBondContact O-OG1 2.73Å; E580-T582 PolarHBondContact O-N 2.95Å; T582-Y584 VanDerWaalsContact C-N 3.3Å; T582-Y584 PolarHBondContact O-N 2.83Å; T582-S585 PolarHBondContact O-N 3.45Å; T582-S585 VanDerWaalsContact O-N 3.11Å; T582-H588 PolarHBondContact OG1-CE1 2.97Å
583K95.8Very high94.9Very high134 Ų13459 Ų5958%0.58330%0.301SS*.Hα-helixtrans-65-34.4175.5-66.4174.3-158.3165.90112.4S579 E580 S585S579-K583 WeakPolarHBondContact O-CG 3.11Å; S579-K583 PolarHBondContact O-N 3.21Å; E580-K583 WeakPolarHBondContact O-CB 3.35Å; E580-K583 PolarHBondContact O-N 3.32Å; E580-K583 IonicContact OE1-NZ 3.74Å; E580-K583 PolarHBondContact OE1-NZ 2.8Å; E580-K583 WeakPolarHBondContact OE2-CD 3.46Å; E580-K583 WeakPolarHBondContact OE2-CE 3.37Å; E580-K583 IonicContact OE2-NZ 3.91Å; E580-K583 PolarHBondContact OE2-NZ 3.48Å; K583-S585 PolarHBondContact O-N 2.98Å
584Y94.9Very high94.6Very high107 Ų10763.7 Ų63.742%0.4234%0.335SS..THydrogen-bonded Turntrans-82.912.2174.1-77.4-93.9000113.1E580 L581 T582 V586 P646E580-Y584 WeakPolarHBondContact O-CD2 3.19Å; E580-Y584 PolarHBondContact O-N 3.07Å; E580-Y584 VanDerWaalsContact O-N 3.11Å; L581-Y584 CarbonylContact O-C 3.59Å; L581-Y584 PolarHBondContact O-N 3.35Å; T582-Y584 VanDerWaalsContact C-N 3.3Å; T582-Y584 PolarHBondContact O-N 2.83Å; Y584-V586 PolarHBondContact O-N 3.14Å; Y584-P646 HydrophobicContact CD2-CB 3.5Å; Y584-P646 HydrophobicContact CE2-CB 3.78Å; Y584-P646 HydrophobicContact CG-CB 4.05Å
585S93.5Very high94.2Very high114 Ų11464.3 Ų64.380%0.79734%0.342SS*.THydrogen-bonded Turntrans55.718.9-178.1-60.90000115.2L581 T582 K583 S587L581-S585 PolarHBondContact O-N 3.3Å; T582-S585 PolarHBondContact O-N 3.45Å; T582-S585 VanDerWaalsContact O-N 3.11Å; K583-S585 PolarHBondContact O-N 2.98Å; S585-S587 PolarHBondContact O-N 3.08Å
586V94Very high94Very high5 Ų559.9 Ų59.93%0.0334%0.338CS..  trans-79.1105.5-179.7-175.90000109.2K558 L581 Y584 H588 M649K558-V586 HydrophobicContact CB-CG1 3.9Å; K558-V586 HydrophobicContact CG-CG1 4.49Å; L581-V586 HydrophobicContact CB-CB 4.31Å; L581-V586 HydrophobicContact CD2-CB 3.96Å; L581-V586 HydrophobicContact CD2-CG1 4.04Å; L581-V586 HydrophobicContact CD2-CG2 4.18Å; L581-V586 PolarHBondContact O-N 3.36Å; Y584-V586 PolarHBondContact O-N 3.14Å; V586-H588 PolarHBondContact O-N 3.3Å; V586-H588 PolarHBondContact O-ND1 2.89Å; V586-M649 HydrophobicContact CG1-CB 4.16Å; V586-M649 HydrophobicContact CG1-CE 4.41Å; V586-M649 HydrophobicContact CG2-CB 4.17Å
587S94.7Very high93.9Very high43 Ų4358 Ų5830%0.30133%0.331SS..  trans-62.3124.117575.90000110.1P556 Y557 K558 C559 S585P556-S587 PolarHBondContact O-OG 3.12Å; Y557-S587 WeakPolarHBondContact CA-OG 3.29Å; K558-S587 PolarHBondContact N-O 3.17Å; C559-S587 PolarHBondContact N-O 3.06Å; S585-S587 PolarHBondContact O-N 3.08Å
588H96.2Very high93.8Very high29 Ų2959.5 Ų59.513%0.13435%0.348CS..EExtended strand (participates in β ladder)trans-145.6159.7-171.868.1-89.5000112.9C559 S578 L581 T582 V586C559-H588 WeakPolarHBondContact O-CA 3.45Å; C559-H588 VanDerWaalsContact SG-CB 3.5Å; S578-H588 WeakPolarHBondContact CA-NE2 3.45Å; S578-H588 WeakPolarHBondContact CB-NE2 3.24Å; S578-H588 PolarHBondContact O-CE1 3.49Å; S578-H588 PolarHBondContact OG-NE2 2.89Å; L581-H588 HydrophobicContact CD1-CB 4.47Å; T582-H588 PolarHBondContact OG1-CE1 2.97Å; V586-H588 PolarHBondContact O-N 3.3Å; V586-H588 PolarHBondContact O-ND1 2.89Å
589R95.7Very high93.6Very high101 Ų10166.2 Ų66.238%0.38137%0.368SS..EExtended strand (participates in β ladder)trans-128.3123.2-180-179178-179.6147.76.7112.2Y557 C559 S560 L561 I609Y557-R589 HydrophobicContact CD1-CB 4.39Å; Y557-R589 HydrophobicContact CD2-CB 3.76Å; Y557-R589 HydrophobicContact CE2-CB 3.94Å; Y557-R589 HydrophobicContact CE2-CG 4.31Å; Y557-R589 HydrophobicContact CG-CB 3.99Å; C559-R589 PolarHBondContact O-N 3.44Å; C559-R589 VanDerWaalsContact O-N 3.09Å; S560-R589 CarbonylContact C-O 3.52Å; S560-R589 WeakPolarHBondContact CA-O 3.38Å; S560-R589 WeakPolarHBondContact CB-O 3.47Å; L561-R589 PolarHBondContact N-O 3.48Å; R589-I609 HydrophobicContact CB-CD1 4.11Å
590V96.2Very high93.5Very high54 Ų5463.2 Ų63.233%0.32735%0.347SS..EExtended strand (participates in β ladder)trans-81.8136.9170.5-1590000110.3L561 V574 E592L561-V590 HydrophobicContact CB-CB 4.43Å; L561-V590 HydrophobicContact CB-CG1 4.13Å; L561-V590 HydrophobicContact CB-CG2 4.27Å; L561-V590 HydrophobicContact CD1-CG2 4.3Å; L561-V590 WeakPolarHBondContact O-CA 3.29Å; V574-V590 HydrophobicContact CG1-CG1 3.53Å; V590-E592 HydrophobicContact CG1-CG 3.59Å
591D93.2Very high93.4Very high17 Ų1762.2 Ų62.29%0.09134%0.342CS..  trans-129.684.3170-171.1-11.6000110.6L561 L562 S593 R600 R603L561-D591 PolarHBondContact O-N 3.3Å; L562-D591 HydrophobicContact CD2-CB 3.74Å; D591-S593 PolarHBondContact O-N 3.37Å; D591-S593 WeakPolarHBondContact OD1-CB 3.5Å; D591-S593 PolarHBondContact OD1-N 3.24Å; D591-S593 VanDerWaalsContact OD1-N 3.14Å; D591-S593 PolarHBondContact OD1-OG 3.16Å; D591-R600 WeakPolarHBondContact O-CD 3.48Å; D591-R600 PolarHBondContact O-NH1 2.99Å; D591-R603 VanDerWaalsContact CG-NH2 3.3Å; D591-R603 IonicContact OD1-NH2 3.59Å; D591-R603 PolarHBondContact OD1-NH2 3.49Å; D591-R603 VanDerWaalsContact OD1-NH2 3.12Å; D591-R603 IonicContact OD2-CZ 2.58Å; D591-R603 IonicContact OD2-NE 2.72Å; D591-R603 PolarHBondContact OD2-NE 3.01Å; D591-R603 IonicContact OD2-NH2 3.61Å; D591-R603 PolarHBondContact OD2-NH2 2.63Å
592E87.9Confident93.3Very high85 Ų8563 Ų6340%0.39735%0.348SS..  trans-83.612.4174.7-48.4-173.5132.300112.9P563 N566 V590P563-E592 HydrophobicContact CG-CG 4.32Å; N566-E592 PolarHBondContact ND2-O 3.23Å; V590-E592 HydrophobicContact CG1-CG 3.59Å
593S89.6Confident93.2Very high46 Ų4662.7 Ų62.732%0.32234%0.337SS..SBendtrans-76.9151.6-176.970.60000112.3D591 G595 R600 R603D591-S593 PolarHBondContact O-N 3.37Å; D591-S593 WeakPolarHBondContact OD1-CB 3.5Å; D591-S593 PolarHBondContact OD1-N 3.24Å; D591-S593 VanDerWaalsContact OD1-N 3.14Å; D591-S593 PolarHBondContact OD1-OG 3.16Å; S593-G595 PolarHBondContact O-N 2.93Å; S593-R600 WeakPolarHBondContact O-CD 3.5Å; S593-R600 PolarHBondContact O-NE 3.33Å; S593-R603 PolarHBondContact OG-NH2 3.36Å
594S87.2Confident93.2Very high112 Ų11256.5 Ų56.578%0.78331%0.31SS*.SBendtrans-68.925.5-169.765.10000116.4
595G87.3Confident93.2Very high16 Ų1651.5 Ų51.517%0.16529%0.291CS..SBendtrans-84.5148.5170.500000111.5S593 R600S593-G595 PolarHBondContact O-N 2.93Å; G595-R600 PolarHBondContact O-NE 3.35Å
596S92.9Very high93.3Very high84 Ų8447.2 Ų47.259%0.58726%0.258SS*.  trans-54.1151.5168.659.20000111.1G598 R599 R600S596-G598 PolarHBondContact O-N 2.91Å; S596-R599 WeakPolarHBondContact O-CA 3.39Å; S596-R599 WeakPolarHBondContact O-CB 3.41Å; S596-R599 PolarHBondContact O-N 3.35Å; S596-R600 PolarHBondContact O-N 2.9Å
597I93.7Very high93.3Very high39 Ų3947.5 Ų47.520%0.226%0.259CS..Hα-helixtrans-55.7-39.8-176.2-171.961.2000112.2L562 L564 R599 R600 Y601 T614L562-I597 HydrophobicContact CB-CD1 3.72Å; L562-I597 HydrophobicContact CD1-CD1 4.1Å; L562-I597 HydrophobicContact CG-CD1 4.46Å; L564-I597 HydrophobicContact CD1-CB 4.26Å; L564-I597 HydrophobicContact CD1-CG2 4.14Å; I597-R599 PolarHBondContact O-N 3.38Å; I597-R600 WeakPolarHBondContact O-CA 3.41Å; I597-R600 WeakPolarHBondContact O-CB 3.43Å; I597-R600 PolarHBondContact O-N 2.95Å; I597-R600 VanDerWaalsContact O-N 3.07Å; I597-Y601 HydrophobicContact CD1-CE1 4.07Å; I597-Y601 HydrophobicContact CG1-CD2 4.28Å; I597-Y601 HydrophobicContact CG1-CE1 4.18Å; I597-Y601 HydrophobicContact CG1-CE2 3.75Å; I597-Y601 PolarHBondContact O-N 2.9Å; I597-T614 HydrophobicContact CD1-CG2 3.88Å; I597-T614 HydrophobicContact CG1-CG2 4.18Å
598G92.9Very high93.3Very high36 Ų3645.4 Ų45.437%0.37125%0.245SC..Hα-helixtrans-62.1-35.4173.200000114.3S596 R600 A602S596-G598 PolarHBondContact O-N 2.91Å; G598-R600 VanDerWaalsContact C-N 3.33Å; G598-A602 WeakPolarHBondContact O-CB 3.2Å; G598-A602 PolarHBondContact O-N 3.45Å
599R93Very high93.4Very high171 Ų17144.1 Ų44.165%0.64524%0.239SC*.Hα-helixtrans-73.3-26.1174-166.9175.2-168.51717.7112.2S596 I597 R603S596-R599 WeakPolarHBondContact O-CA 3.39Å; S596-R599 WeakPolarHBondContact O-CB 3.41Å; S596-R599 PolarHBondContact O-N 3.35Å; I597-R599 PolarHBondContact O-N 3.38Å; R599-R603 PolarHBondContact O-N 2.93Å
600R94.8Very high93.4Very high1 Ų139.4 Ų39.40%0.00422%0.222CC..Hα-helixtrans-75-49.2171.9-77-172.4-82.5146.63.3111.5L562 P563 L564 D591 S593 G595 S596 I597 G598 A602 R603 T604L562-R600 HydrophobicContact CD2-CB 4.17Å; P563-R600 PolarHBondContact O-NH1 2.61Å; P563-R600 PolarHBondContact O-NH2 2.84Å; L564-R600 PolarHBondContact O-NH2 2.72Å; D591-R600 WeakPolarHBondContact O-CD 3.48Å; D591-R600 PolarHBondContact O-NH1 2.99Å; S593-R600 WeakPolarHBondContact O-CD 3.5Å; S593-R600 PolarHBondContact O-NE 3.33Å; G595-R600 PolarHBondContact O-NE 3.35Å; S596-R600 PolarHBondContact O-N 2.9Å; I597-R600 WeakPolarHBondContact O-CA 3.41Å; I597-R600 WeakPolarHBondContact O-CB 3.43Å; I597-R600 PolarHBondContact O-N 2.95Å; I597-R600 VanDerWaalsContact O-N 3.07Å; G598-R600 VanDerWaalsContact C-N 3.33Å; R600-A602 VanDerWaalsContact C-N 3.28Å; R600-A602 PolarHBondContact O-N 3.33Å; R600-R603 WeakPolarHBondContact O-CA 3.25Å; R600-R603 PolarHBondContact O-N 3.1Å; R600-T604 PolarHBondContact O-N 3.2Å
601Y95.7Very high93.4Very high23 Ų2337.7 Ų37.79%0.0921%0.209CC..Hα-helixtrans-51.3-46.9169.1-66.7-34.6000111.8L562 I597 R603 T604 D605 T614 R630 Q637L562-Y601 HydrophobicContact CD1-CD1 3.52Å; L562-Y601 HydrophobicContact CD1-CE1 3.48Å; L562-Y601 VanDerWaalsContact CD1-CE1 3.48Å; I597-Y601 HydrophobicContact CD1-CE1 4.07Å; I597-Y601 HydrophobicContact CG1-CD2 4.28Å; I597-Y601 HydrophobicContact CG1-CE1 4.18Å; I597-Y601 HydrophobicContact CG1-CE2 3.75Å; I597-Y601 PolarHBondContact O-N 2.9Å; Y601-R603 PolarHBondContact O-N 3.48Å; Y601-R603 VanDerWaalsContact O-N 3.14Å; Y601-T604 WeakPolarHBondContact CA-OG1 3.34Å; Y601-T604 PolarHBondContact O-N 2.92Å; Y601-T604 VanDerWaalsContact O-N 3.1Å; Y601-T604 PolarHBondContact O-OG1 2.91Å; Y601-D605 VanDerWaalsContact O-CB 3.27Å; Y601-D605 WeakPolarHBondContact O-CB 3.23Å; Y601-D605 PolarHBondContact O-N 3.32Å; Y601-D605 VanDerWaalsContact O-OD1 3.05Å; Y601-T614 PolarHBondContact OH-OG1 3.34Å; Y601-R630 HydrophobicContact CE1-CB 4.41Å; Y601-Q637 PolarHBondContact OH-OE1 2.79Å
602A93.9Very high93.6Very high16 Ų1636.9 Ų36.913%0.13221%0.205CC..Hα-helixtrans-57.9-29.817700000113.6R545 G598 R600 Q606R545-A602 HydrophobicContact CG-CB 4.18Å; G598-A602 WeakPolarHBondContact O-CB 3.2Å; G598-A602 PolarHBondContact O-N 3.45Å; R600-A602 VanDerWaalsContact C-N 3.28Å; R600-A602 PolarHBondContact O-N 3.33Å; A602-Q606 VanDerWaalsContact O-CB 3.3Å; A602-Q606 WeakPolarHBondContact O-CB 3.31Å; A602-Q606 WeakPolarHBondContact O-CG 3.44Å; A602-Q606 PolarHBondContact O-N 2.94Å; A602-Q606 PolarHBondContact O-OE1 3.41Å
603R93.7Very high94.1Very high83 Ų8332.8 Ų32.831%0.31319%0.186SC..Hα-helixtrans-83.7-30.8174.9-69.4-170.8-53.7-140.8-5.1113.8D591 S593 R599 R600 Y601 I607D591-R603 VanDerWaalsContact CG-NH2 3.3Å; D591-R603 IonicContact OD1-NH2 3.59Å; D591-R603 PolarHBondContact OD1-NH2 3.49Å; D591-R603 VanDerWaalsContact OD1-NH2 3.12Å; D591-R603 IonicContact OD2-CZ 2.58Å; D591-R603 IonicContact OD2-NE 2.72Å; D591-R603 PolarHBondContact OD2-NE 3.01Å; D591-R603 IonicContact OD2-NH2 3.61Å; D591-R603 PolarHBondContact OD2-NH2 2.63Å; S593-R603 PolarHBondContact OG-NH2 3.36Å; R599-R603 PolarHBondContact O-N 2.93Å; R600-R603 WeakPolarHBondContact O-CA 3.25Å; R600-R603 PolarHBondContact O-N 3.1Å; Y601-R603 PolarHBondContact O-N 3.48Å; Y601-R603 VanDerWaalsContact O-N 3.14Å; R603-I607 WeakPolarHBondContact O-CG1 3.05Å; R603-I607 PolarHBondContact O-N 3.44Å
604T95.8Very high94.4Very high4 Ų430.9 Ų30.93%0.02517%0.172CC..Hα-helixtrans-74.7-42.3176.356.40000111.1L562 R600 Y601 Q606 I607 A608 I609L562-T604 HydrophobicContact CD2-CG2 4.47Å; R600-T604 PolarHBondContact O-N 3.2Å; Y601-T604 WeakPolarHBondContact CA-OG1 3.34Å; Y601-T604 PolarHBondContact O-N 2.92Å; Y601-T604 VanDerWaalsContact O-N 3.1Å; Y601-T604 PolarHBondContact O-OG1 2.91Å; T604-Q606 VanDerWaalsContact C-N 3.33Å; T604-Q606 PolarHBondContact O-N 2.88Å; T604-I607 CarbonylContact O-C 3.59Å; T604-I607 WeakPolarHBondContact O-CG1 3.42Å; T604-I607 PolarHBondContact O-N 3.25Å; T604-I607 VanDerWaalsContact O-N 3.09Å; T604-A608 PolarHBondContact O-N 2.85Å; T604-I609 HydrophobicContact CG2-CD1 4.13Å; T604-I609 PolarHBondContact O-N 2.77Å; T604-I609 VanDerWaalsContact O-N 3.11Å
605D95.9Very high94.9Very high2 Ų225.5 Ų25.51%0.01114%0.135CC..Hα-helixtrans-58.4-43.9173.2-68.314.2000110.9R539 L548 Y601 I607 A608 R630R539-D605 IonicContact CZ-OD2 2.69Å; R539-D605 IonicContact NE-OD2 3.48Å; R539-D605 IonicContact NH2-OD2 3.04Å; R539-D605 PolarHBondContact NH2-OD2 3.43Å; L548-D605 PolarHBondContact N-O 2.83Å; Y601-D605 VanDerWaalsContact O-CB 3.27Å; Y601-D605 WeakPolarHBondContact O-CB 3.23Å; Y601-D605 PolarHBondContact O-N 3.32Å; Y601-D605 VanDerWaalsContact O-OD1 3.05Å; D605-I607 PolarHBondContact O-N 3.49Å; D605-A608 PolarHBondContact O-N 3.43Å; D605-A608 VanDerWaalsContact O-N 3.12Å; D605-R630 IonicContact OD1-CZ 3.59Å; D605-R630 IonicContact OD1-NH1 3.4Å; D605-R630 PolarHBondContact OD1-NH1 2.89Å; D605-R630 IonicContact OD1-NH2 2.67Å; D605-R630 PolarHBondContact OD1-NH2 3.05Å; D605-R630 IonicContact OD2-CZ 2.73Å; D605-R630 IonicContact OD2-NH1 3.52Å; D605-R630 IonicContact OD2-NH2 3.12Å; D605-R630 PolarHBondContact OD2-NH2 2.9Å
606Q94.6Very high95.3Very high24 Ų2424.9 Ų24.911%0.11213%0.128CC..THydrogen-bonded Turntrans-67.2-12.8176.1-81.8179.5-15.800114.9L70 K74 Q544 T546 A602 T604L70-Q606 HydrophobicContact CD1-CB 3.95Å; L70-Q606 HydrophobicContact CD1-CG 3.95Å; K74-Q606 VanDerWaalsContact CE-OE1 3.25Å; Q544-Q606 PolarHBondContact O-NE2 2.67Å; T546-Q606 WeakPolarHBondContact O-CG 3.33Å; T546-Q606 PolarHBondContact OG1-NE2 2.95Å; A602-Q606 VanDerWaalsContact O-CB 3.3Å; A602-Q606 WeakPolarHBondContact O-CB 3.31Å; A602-Q606 WeakPolarHBondContact O-CG 3.44Å; A602-Q606 PolarHBondContact O-N 2.94Å; A602-Q606 PolarHBondContact O-OE1 3.41Å; T604-Q606 VanDerWaalsContact C-N 3.33Å; T604-Q606 PolarHBondContact O-N 2.88Å
607I94.6Very high95.3Very high11 Ų1122 Ų226%0.05610%0.104CC..THydrogen-bonded Turntrans-116.126.8172.169.6-174.1000111.7K74 F76 M96 R603 T604 D605 I609K74-I607 HydrophobicContact CB-CG2 3.97Å; K74-I607 HydrophobicContact CD-CG2 3.72Å; K74-I607 HydrophobicContact CG-CG2 3.8Å; F76-I607 HydrophobicContact CZ-CB 4.48Å; M96-I607 HydrophobicContact SD-CB 4.17Å; M96-I607 HydrophobicContact SD-CD1 4.21Å; M96-I607 HydrophobicContact SD-CG1 4.5Å; R603-I607 WeakPolarHBondContact O-CG1 3.05Å; R603-I607 PolarHBondContact O-N 3.44Å; T604-I607 CarbonylContact O-C 3.59Å; T604-I607 WeakPolarHBondContact O-CG1 3.42Å; T604-I607 PolarHBondContact O-N 3.25Å; T604-I607 VanDerWaalsContact O-N 3.09Å; D605-I607 PolarHBondContact O-N 3.49Å; I607-I609 VanDerWaalsContact C-N 3.27Å; I607-I609 HydrophobicContact CD1-CD1 4.11Å; I607-I609 HydrophobicContact CD1-CG1 4.42Å; I607-I609 HydrophobicContact CG1-CD1 4.09Å; I607-I609 HydrophobicContact CG1-CG1 3.87Å; I607-I609 PolarHBondContact O-N 3.18Å
608A95.3Very high95.4Very high0 Ų020.2 Ų20.20%010%0.095CC..THydrogen-bonded Turntrans63.913.2171.300000116.9L548 I550 T604 D605 P610 R632L548-A608 HydrophobicContact CB-CB 3.78Å; L548-A608 HydrophobicContact CD1-CB 4.45Å; I550-A608 HydrophobicContact CB-CB 4.2Å; I550-A608 HydrophobicContact CD1-CB 3.81Å; I550-A608 HydrophobicContact CG1-CB 4.3Å; T604-A608 PolarHBondContact O-N 2.85Å; D605-A608 PolarHBondContact O-N 3.43Å; D605-A608 VanDerWaalsContact O-N 3.12Å; A608-P610 WeakPolarHBondContact O-CD 3.37Å; A608-R632 PolarHBondContact O-NH1 2.96Å
609I96.8Very high95.5Very high1 Ų118.6 Ų18.61%0.0058%0.078CC..  trans-64.8119.2178.8-51.5-171.2000108.9Y557 C559 R589 T604 I607 Y611 R632Y557-I609 HydrophobicContact CD2-CD1 4Å; Y557-I609 HydrophobicContact CD2-CG1 4.48Å; Y557-I609 HydrophobicContact CG-CD1 4.42Å; C559-I609 VanDerWaalsContact C-CG2 3.43Å; R589-I609 HydrophobicContact CB-CD1 4.11Å; T604-I609 HydrophobicContact CG2-CD1 4.13Å; T604-I609 PolarHBondContact O-N 2.77Å; T604-I609 VanDerWaalsContact O-N 3.11Å; I607-I609 VanDerWaalsContact C-N 3.27Å; I607-I609 HydrophobicContact CD1-CD1 4.11Å; I607-I609 HydrophobicContact CD1-CG1 4.42Å; I607-I609 HydrophobicContact CG1-CD1 4.09Å; I607-I609 HydrophobicContact CG1-CG1 3.87Å; I607-I609 PolarHBondContact O-N 3.18Å; I609-Y611 VanDerWaalsContact CG2-O 3.28Å; I609-Y611 WeakPolarHBondContact CG2-O 3.4Å; I609-R632 WeakPolarHBondContact O-CD 3.39Å
610P95.8Very high95.5Very high3 Ų311.5 Ų11.52%0.0195%0.053CC..  trans-77.8-22.1-171.529.2-31.6000112.3P552 A555 Y557 K558 A608 E631 R632P552-P610 HydrophobicContact CB-CG 4.22Å; P552-P610 HydrophobicContact CG-CB 4.25Å; P552-P610 HydrophobicContact CG-CG 4.45Å; A555-P610 HydrophobicContact CB-CG 3.93Å; Y557-P610 VanDerWaalsContact O-CD 3.26Å; Y557-P610 WeakPolarHBondContact O-CD 3.3Å; K558-P610 WeakPolarHBondContact O-CD 3.2Å; K558-P610 WeakPolarHBondContact O-CG 3.45Å; A608-P610 WeakPolarHBondContact O-CD 3.37Å; P610-E631 CarbonylContact O-C 3.31Å; P610-E631 WeakPolarHBondContact O-CA 3.31Å; P610-R632 VanDerWaalsContact O-CB 3.29Å; P610-R632 WeakPolarHBondContact O-CB 3.25Å; P610-R632 PolarHBondContact O-N 2.65Å
611Y97Very high95.4Very high17 Ų1713.8 Ų13.87%0.0677%0.065CC..EExtended strand (participates in β ladder)trans-131.6141.7-179.7-56-76.9000114.2P552 C559 S560 I609 L629 R630 E631 M649 I652 W659P552-Y611 HydrophobicContact CB-CE2 4.44Å; P552-Y611 HydrophobicContact CG-CE2 4.25Å; C559-Y611 CarbonylContact C-O 3.58Å; C559-Y611 VanDerWaalsContact CA-O 3.23Å; C559-Y611 WeakPolarHBondContact CA-O 3.26Å; S560-Y611 PolarHBondContact N-O 2.68Å; S560-Y611 PolarHBondContact OG-O 2.84Å; I609-Y611 VanDerWaalsContact CG2-O 3.28Å; I609-Y611 WeakPolarHBondContact CG2-O 3.4Å; Y611-L629 HydrophobicContact CD1-CD1 4.49Å; Y611-L629 HydrophobicContact CG-CD1 4.48Å; Y611-R630 CarbonylContact C-O 3.47Å; Y611-R630 VanDerWaalsContact CA-O 3.22Å; Y611-R630 WeakPolarHBondContact CA-O 3.29Å; Y611-E631 HydrophobicContact CD1-CB 3.93Å; Y611-E631 HydrophobicContact CD1-CG 4.38Å; Y611-E631 HydrophobicContact CE1-CB 3.75Å; Y611-E631 HydrophobicContact CE1-CG 3.82Å; Y611-M649 HydrophobicContact CD2-CE 3.93Å; Y611-M649 HydrophobicContact CG-CE 4.28Å; Y611-M649 HydrophobicContact CG-SD 4.41Å; Y611-I652 HydrophobicContact CD2-CG2 3.97Å; Y611-I652 HydrophobicContact CE1-CG2 4.23Å; Y611-I652 HydrophobicContact CE2-CG2 3.18Å; Y611-I652 WeakPolarHBondContact OH-CG2 3.37Å; Y611-W659 HydrophobicContact CE1-CB 4.47Å; Y611-W659 HydrophobicContact CE1-CD2 4.4Å; Y611-W659 AromaticContact CE1-CE3 3.97Å; Y611-W659 HydrophobicContact CE1-CE3 3.97Å
612G97.3Very high95.1Very high0 Ų015.4 Ų15.40%07%0.073CC..EExtended strand (participates in β ladder)trans-124.2111.1178.300000111.4S560 R630S560-G612 WeakPolarHBondContact OG-CA 3.37Å; G612-R630 PolarHBondContact N-O 2.77Å; G612-R630 WeakPolarHBondContact O-CB 3.21Å; G612-R630 PolarHBondContact O-N 2.82Å
613I97.8Very high94.8Very high0 Ų020 Ų200%010%0.095CC..EExtended strand (participates in β ladder)trans-89.4120.8178.1-62.4161.3000108.4C559 S560 L561 L562 L577 L581 A627 T628 L629 L645 M649C559-I613 HydrophobicContact CB-CD1 3.93Å; C559-I613 HydrophobicContact CB-CG1 4.44Å; S560-I613 WeakPolarHBondContact O-CB 3.41Å; S560-I613 PolarHBondContact O-N 2.79Å; L561-I613 HydrophobicContact CD2-CB 3.84Å; L561-I613 HydrophobicContact CD2-CD1 3.77Å; L561-I613 HydrophobicContact CD2-CG1 4.42Å; L561-I613 HydrophobicContact CD2-CG2 3.86Å; L562-I613 WeakPolarHBondContact CB-O 3.42Å; L562-I613 PolarHBondContact N-O 3.33Å; L577-I613 HydrophobicContact CD2-CG2 3.89Å; L581-I613 HydrophobicContact CD1-CD1 3.97Å; I613-A627 HydrophobicContact CG2-CB 3.95Å; I613-T628 CarbonylContact C-O 3.54Å; I613-T628 VanDerWaalsContact CA-O 3.3Å; I613-T628 WeakPolarHBondContact CA-O 3.49Å; I613-L629 HydrophobicContact CG1-CD1 3.72Å; I613-L645 HydrophobicContact CB-CD2 4.4Å; I613-L645 HydrophobicContact CD1-CD2 3.74Å; I613-L645 HydrophobicContact CD1-CG 4.37Å; I613-L645 HydrophobicContact CG1-CD2 3.93Å; I613-L645 HydrophobicContact CG2-CD2 3.58Å; I613-M649 HydrophobicContact CD1-CG 4.12Å; I613-M649 HydrophobicContact CD1-SD 4.43Å
614T97.5Very high94.7Very high5 Ų520.4 Ų20.43%0.03111%0.108CC..EExtended strand (participates in β ladder)trans-109.9123.9-179-38.20000110.7L562 I597 Y601 A627 T628L562-T614 WeakPolarHBondContact O-CA 3.42Å; L562-T614 WeakPolarHBondContact O-CG2 3.39Å; I597-T614 HydrophobicContact CD1-CG2 3.88Å; I597-T614 HydrophobicContact CG1-CG2 4.18Å; Y601-T614 PolarHBondContact OH-OG1 3.34Å; T614-A627 WeakPolarHBondContact O-CB 3.1Å; T614-T628 VanDerWaalsContact CB-OG1 3.23Å; T614-T628 WeakPolarHBondContact CB-OG1 3.39Å; T614-T628 PolarHBondContact N-O 3.33Å; T614-T628 PolarHBondContact O-N 2.81Å; T614-T628 PolarHBondContact OG1-OG1 2.93Å
615I96.6Very high94.6Very high0 Ų021.4 Ų21.40%012%0.115CC..EExtended strand (participates in β ladder)trans-100.7116.3175-70.4160.7000107.1L562 P563 L564 F570 V573 V574 L577 T619L562-I615 PolarHBondContact O-N 3.01Å; P563-I615 CarbonylContact C-O 3.54Å; P563-I615 WeakPolarHBondContact CA-O 3.23Å; L564-I615 WeakPolarHBondContact CB-O 3.36Å; L564-I615 PolarHBondContact N-O 2.6Å; F570-I615 HydrophobicContact CB-CG2 4.16Å; F570-I615 HydrophobicContact CD1-CG2 3.74Å; F570-I615 HydrophobicContact CE1-CG2 4.5Å; F570-I615 HydrophobicContact CG-CG2 4.16Å; V573-I615 HydrophobicContact CB-CD1 4.38Å; V573-I615 HydrophobicContact CB-CG2 4.22Å; V573-I615 HydrophobicContact CG1-CD1 3.87Å; V573-I615 HydrophobicContact CG1-CG1 4.17Å; V573-I615 HydrophobicContact CG1-CG2 4.09Å; V574-I615 HydrophobicContact CB-CD1 4.35Å; V574-I615 HydrophobicContact CG2-CD1 3.63Å; L577-I615 HydrophobicContact CD2-CD1 4.11Å; I615-T619 HydrophobicContact CG1-CG2 4.49Å; I615-T619 HydrophobicContact CG2-CG2 4.03Å
616D95Very high94.6Very high3 Ų322 Ų222%0.01612%0.119CC..  trans-123.2-174.5-175.465.611.9000111.7L564 F570 D618 T619 R639L564-D616 HydrophobicContact CB-CB 4.1Å; L564-D616 HydrophobicContact CD2-CB 3.87Å; F570-D616 VanDerWaalsContact CE1-O 3.28Å; F570-D616 WeakPolarHBondContact CE1-O 3.33Å; D616-D618 PolarHBondContact O-N 3.3Å; D616-D618 WeakPolarHBondContact OD1-CA 3.42Å; D616-D618 VanDerWaalsContact OD1-CB 3.31Å; D616-D618 WeakPolarHBondContact OD1-CB 3.31Å; D616-D618 PolarHBondContact OD1-N 2.86Å; D616-T619 PolarHBondContact N-OG1 3.41Å; D616-T619 VanDerWaalsContact N-OG1 3.13Å; D616-T619 VanDerWaalsContact O-CB 3.24Å; D616-T619 WeakPolarHBondContact O-CB 3.5Å; D616-T619 PolarHBondContact O-N 2.78Å; D616-T619 VanDerWaalsContact O-N 3.11Å; D616-T619 PolarHBondContact O-OG1 3Å; D616-T619 PolarHBondContact OD1-N 3.07Å; D616-T619 PolarHBondContact OD1-OG1 3.15Å; D616-R639 IonicContact OD1-CZ 2.71Å; D616-R639 IonicContact OD1-NH1 3.01Å; D616-R639 PolarHBondContact OD1-NH1 3.49Å; D616-R639 IonicContact OD1-NH2 3.5Å; D616-R639 PolarHBondContact OD1-NH2 2.89Å; D616-R639 IonicContact OD2-CZ 2.79Å; D616-R639 IonicContact OD2-NH1 2.71Å; D616-R639 PolarHBondContact OD2-NH1 3.32Å; D616-R639 IonicContact OD2-NH2 3.54Å
617F94.9Very high94.8Very high22 Ų2220.8 Ų20.810%0.09611%0.113CC..Hα-helixtrans-69.1-22.7179.5-60.5-71.2000112.2L564 H567 F570 T619 L620 N621 T674 Q676L564-F617 HydrophobicContact CD2-CD2 4.45Å; H567-F617 HydrophobicContact CB-CE1 4.25Å; H567-F617 HydrophobicContact CB-CZ 4.4Å; H567-F617 AromaticContact CG-CE1 3.94Å; F570-F617 AromaticContact CE1-CD1 3.86Å; F570-F617 HydrophobicContact CE1-CD1 3.86Å; F570-F617 HydrophobicContact CE1-CE1 4.08Å; F570-F617 HydrophobicContact CE1-CG 4.34Å; F570-F617 HydrophobicContact CE2-CE1 4.17Å; F570-F617 HydrophobicContact CE2-CZ 4.18Å; F570-F617 AromaticContact CZ-CD1 3.6Å; F570-F617 HydrophobicContact CZ-CD1 3.6Å; F570-F617 HydrophobicContact CZ-CD2 4.22Å; F570-F617 AromaticContact CZ-CE1 3.48Å; F570-F617 HydrophobicContact CZ-CE1 3.48Å; F570-F617 VanDerWaalsContact CZ-CE1 3.48Å; F570-F617 HydrophobicContact CZ-CE2 4.11Å; F570-F617 AromaticContact CZ-CG 3.97Å; F570-F617 HydrophobicContact CZ-CG 3.97Å; F570-F617 AromaticContact CZ-CZ 3.74Å; F570-F617 HydrophobicContact CZ-CZ 3.74Å; F617-T619 VanDerWaalsContact C-N 3.29Å; F617-T619 PolarHBondContact O-N 2.77Å; F617-L620 HydrophobicContact CD1-CD1 4.3Å; F617-L620 PolarHBondContact O-N 3.42Å; F617-L620 VanDerWaalsContact O-N 3.12Å; F617-N621 VanDerWaalsContact O-CB 3.27Å; F617-N621 WeakPolarHBondContact O-CB 3.35Å; F617-N621 PolarHBondContact O-N 3Å; F617-N621 PolarHBondContact O-ND2 2.73Å; F617-N621 VanDerWaalsContact O-ND2 3.11Å; F617-T674 PolarHBondContact O-OG1 2.87Å; F617-Q676 HydrophobicContact CD1-CB 4.37Å; F617-Q676 HydrophobicContact CD2-CB 4.48Å; F617-Q676 HydrophobicContact CE1-CB 3.81Å; F617-Q676 HydrophobicContact CE1-CG 3.99Å; F617-Q676 HydrophobicContact CE2-CB 3.95Å; F617-Q676 HydrophobicContact CZ-CB 3.59Å; F617-Q676 HydrophobicContact CZ-CG 4.02Å
618D94.2Very high94.9Very high2 Ų220.3 Ų20.31%0.01111%0.111CC..Hα-helixtrans-67.4-32.1171.1-79.324.9000111.1D616 L620 K622 R639 Q672 E673 T674D616-D618 PolarHBondContact O-N 3.3Å; D616-D618 WeakPolarHBondContact OD1-CA 3.42Å; D616-D618 VanDerWaalsContact OD1-CB 3.31Å; D616-D618 WeakPolarHBondContact OD1-CB 3.31Å; D616-D618 PolarHBondContact OD1-N 2.86Å; D618-L620 PolarHBondContact O-N 3.37Å; D618-K622 HydrophobicContact CB-CD 4.04Å; D618-K622 HydrophobicContact CB-CG 4.49Å; D618-K622 WeakPolarHBondContact O-CB 3.37Å; D618-K622 PolarHBondContact O-N 2.69Å; D618-K622 VanDerWaalsContact O-N 3.12Å; D618-K622 WeakPolarHBondContact OD2-CE 3.22Å; D618-K622 IonicContact OD2-NZ 3.21Å; D618-K622 PolarHBondContact OD2-NZ 2.87Å; D618-R639 VanDerWaalsContact CB-NH2 3.28Å; D618-Q672 HydrophobicContact CB-CG 4.31Å; D618-Q672 WeakPolarHBondContact OD1-CG 3.43Å; D618-E673 PolarHBondContact OD1-N 3.36Å; D618-E673 PolarHBondContact OD2-N 3.23Å; D618-E673 VanDerWaalsContact OD2-N 3.09Å; D618-T674 PolarHBondContact N-OG1 3.09Å; D618-T674 WeakPolarHBondContact OD1-CA 3.46Å; D618-T674 VanDerWaalsContact OD1-CB 3.24Å; D618-T674 WeakPolarHBondContact OD1-CB 3.32Å; D618-T674 WeakPolarHBondContact OD1-CG2 3.01Å; D618-T674 PolarHBondContact OD1-N 3.23Å; D618-T674 PolarHBondContact OD1-OG1 3.07Å
619T95.1Very high95Very high2 Ų220.3 Ų20.31%0.01211%0.111CC..Hα-helixtrans-61.4-26.2171.1-48.70000113V573 I615 D616 F617 S626 R639 L642V573-T619 HydrophobicContact CG1-CG2 3.98Å; I615-T619 HydrophobicContact CG1-CG2 4.49Å; I615-T619 HydrophobicContact CG2-CG2 4.03Å; D616-T619 PolarHBondContact N-OG1 3.41Å; D616-T619 VanDerWaalsContact N-OG1 3.13Å; D616-T619 VanDerWaalsContact O-CB 3.24Å; D616-T619 WeakPolarHBondContact O-CB 3.5Å; D616-T619 PolarHBondContact O-N 2.78Å; D616-T619 VanDerWaalsContact O-N 3.11Å; D616-T619 PolarHBondContact O-OG1 3Å; D616-T619 PolarHBondContact OD1-N 3.07Å; D616-T619 PolarHBondContact OD1-OG1 3.15Å; F617-T619 VanDerWaalsContact C-N 3.29Å; F617-T619 PolarHBondContact O-N 2.77Å; T619-S626 VanDerWaalsContact CA-O 3.24Å; T619-S626 WeakPolarHBondContact CA-O 2.93Å; T619-S626 VanDerWaalsContact CB-O 3.22Å; T619-S626 WeakPolarHBondContact CB-O 3.28Å; T619-S626 WeakPolarHBondContact CG2-O 3.41Å; T619-S626 PolarHBondContact OG1-O 3.44Å; T619-R639 PolarHBondContact OG1-NH2 3.08Å; T619-L642 HydrophobicContact CG2-CD1 3.79Å; T619-L642 HydrophobicContact CG2-CD2 4.07Å; T619-L642 HydrophobicContact CG2-CG 4.18Å
620L93.5Very high95Very high22 Ų2220.6 Ų20.612%0.11511%0.112CC..Hα-helixtrans-97.1-36179.5-59.2179.8000113.5D569 F570 V573 F617 D618 I693D569-L620 HydrophobicContact CB-CD1 3.5Å; D569-L620 WeakPolarHBondContact O-CD2 3.41Å; F570-L620 HydrophobicContact CD1-CD1 3.55Å; F570-L620 HydrophobicContact CD1-CD2 4.36Å; F570-L620 HydrophobicContact CD1-CG 3.96Å; F570-L620 HydrophobicContact CE1-CD1 3.46Å; F570-L620 VanDerWaalsContact CE1-CD1 3.46Å; F570-L620 HydrophobicContact CE1-CG 3.95Å; V573-L620 HydrophobicContact CG2-CD2 3.71Å; F617-L620 HydrophobicContact CD1-CD1 4.3Å; F617-L620 PolarHBondContact O-N 3.42Å; F617-L620 VanDerWaalsContact O-N 3.12Å; D618-L620 PolarHBondContact O-N 3.37Å; L620-I693 WeakPolarHBondContact O-CD1 3.28Å
621N91.9Very high95.1Very high49 Ų4921.5 Ų21.526%0.26212%0.116SC..Hα-helixtrans-96.3-20.3-168.9-72.4-47.4000114.3F617 T674 A675 K677F617-N621 VanDerWaalsContact O-CB 3.27Å; F617-N621 WeakPolarHBondContact O-CB 3.35Å; F617-N621 PolarHBondContact O-N 3Å; F617-N621 PolarHBondContact O-ND2 2.73Å; F617-N621 VanDerWaalsContact O-ND2 3.11Å; N621-T674 HydrophobicContact CB-CG2 3.87Å; N621-T674 WeakPolarHBondContact CB-OG1 3.5Å; N621-T674 WeakPolarHBondContact ND2-CB 3.44Å; N621-T674 PolarHBondContact ND2-OG1 2.58Å; N621-A675 PolarHBondContact ND2-O 3.28Å; N621-K677 WeakPolarHBondContact OD1-CE 3.34Å; N621-K677 PolarHBondContact OD1-NZ 3.48Å
622K90.2Very high95Very high58 Ų5820.9 Ų20.925%0.25211%0.114SC..SBendtrans-102.1153.3-179.2-68.8-179.9169.5170.20112.3D618 E673 T674D618-K622 HydrophobicContact CB-CD 4.04Å; D618-K622 HydrophobicContact CB-CG 4.49Å; D618-K622 WeakPolarHBondContact O-CB 3.37Å; D618-K622 PolarHBondContact O-N 2.69Å; D618-K622 VanDerWaalsContact O-N 3.12Å; D618-K622 WeakPolarHBondContact OD2-CE 3.22Å; D618-K622 IonicContact OD2-NZ 3.21Å; D618-K622 PolarHBondContact OD2-NZ 2.87Å; K622-E673 WeakPolarHBondContact CE-OE2 3.43Å; K622-E673 IonicContact NZ-OE1 3.48Å; K622-E673 PolarHBondContact NZ-OE1 2.86Å; K622-E673 IonicContact NZ-OE2 2.69Å; K622-E673 PolarHBondContact NZ-OE2 2.95Å; K622-T674 HydrophobicContact CG-CG2 4.49Å
623L88Confident94.9Very high111 Ų11123 Ų2358%0.58113%0.125SC*.SBendtrans-119134.1167.6-66.3177.6000108.5P625L623-P625 HydrophobicContact CD2-CG 4.08Å
624P91.3Very high94.7Very high93 Ų9325.3 Ų25.360%0.60414%0.141SC*.SBendcis-67.2148.5-6.430-35.5000112.3S626P624-S626 PolarHBondContact O-N 3.39Å
625P93.7Very high94.6Very high24 Ų2428.7 Ų28.716%0.15616%0.157CC..  trans-61.2127.7175.4-22.935.4000111L623 L642 I697L623-P625 HydrophobicContact CD2-CG 4.08Å; P625-L642 HydrophobicContact CB-CD1 3.81Å; P625-L642 HydrophobicContact CB-CG 4.21Å; P625-L642 PolarHBondContact O-N 2.73Å; P625-I697 HydrophobicContact CB-CD1 4.46Å; P625-I697 HydrophobicContact CG-CD1 4.2Å; P625-I697 HydrophobicContact CG-CG1 4.26Å
626S96.5Very high94.5Very high14 Ų1434.6 Ų34.610%0.09818%0.183CC..EExtended strand (participates in β ladder)trans-139.6152.2-175.958.10000111.9T619 P624 R639 V640T619-S626 VanDerWaalsContact CA-O 3.24Å; T619-S626 WeakPolarHBondContact CA-O 2.93Å; T619-S626 VanDerWaalsContact CB-O 3.22Å; T619-S626 WeakPolarHBondContact CB-O 3.28Å; T619-S626 WeakPolarHBondContact CG2-O 3.41Å; T619-S626 PolarHBondContact OG1-O 3.44Å; P624-S626 PolarHBondContact O-N 3.39Å; S626-R639 PolarHBondContact O-NH2 3.43Å; S626-R639 PolarHBondContact OG-NE 3.34Å; S626-V640 CarbonylContact C-O 3.56Å; S626-V640 VanDerWaalsContact CA-O 3.24Å; S626-V640 WeakPolarHBondContact CA-O 3.37Å; S626-V640 VanDerWaalsContact CB-O 3.23Å; S626-V640 WeakPolarHBondContact CB-O 3.42Å
627A97.2Very high94.6Very high0 Ų036.6 Ų36.60%019%0.192CC..EExtended strand (participates in β ladder)trans-113.7164.1173.200000110.4I613 T614 R639 V640 L642 L645I613-A627 HydrophobicContact CG2-CB 3.95Å; T614-A627 WeakPolarHBondContact O-CB 3.1Å; A627-R639 WeakPolarHBondContact O-CD 3.23Å; A627-V640 PolarHBondContact N-O 3.12Å; A627-V640 PolarHBondContact O-N 2.86Å; A627-L642 HydrophobicContact CB-CD2 3.74Å; A627-L645 HydrophobicContact CB-CD2 4.46Å
628T97.5Very high94.8Very high1 Ų135.7 Ų35.71%0.00619%0.189CC..EExtended strand (participates in β ladder)trans-84.8141163.181.20000109.9I613 T614 Q637 I638 F669I613-T628 CarbonylContact C-O 3.54Å; I613-T628 VanDerWaalsContact CA-O 3.3Å; I613-T628 WeakPolarHBondContact CA-O 3.49Å; T614-T628 VanDerWaalsContact CB-OG1 3.23Å; T614-T628 WeakPolarHBondContact CB-OG1 3.39Å; T614-T628 PolarHBondContact N-O 3.33Å; T614-T628 PolarHBondContact O-N 2.81Å; T614-T628 PolarHBondContact OG1-OG1 2.93Å; T628-Q637 PolarHBondContact OG1-OE1 2.97Å; T628-I638 CarbonylContact C-O 3.58Å; T628-I638 VanDerWaalsContact CA-O 3.29Å; T628-I638 WeakPolarHBondContact CA-O 3.43Å; T628-F669 HydrophobicContact CG2-CB 4.21Å; T628-F669 HydrophobicContact CG2-CD1 3.89Å; T628-F669 HydrophobicContact CG2-CD2 3.53Å; T628-F669 HydrophobicContact CG2-CE1 4.09Å; T628-F669 HydrophobicContact CG2-CE2 3.74Å; T628-F669 HydrophobicContact CG2-CG 3.59Å; T628-F669 HydrophobicContact CG2-CZ 4.01Å
629L97.4Very high94.9Very high0 Ų037 Ų370%019%0.193CC..EExtended strand (participates in β ladder)trans-110.2110.8166.8-177.663.4000107.6Y611 I613 Q637 I638 V640 L645 L648 M649 W659Y611-L629 HydrophobicContact CD1-CD1 4.49Å; Y611-L629 HydrophobicContact CG-CD1 4.48Å; I613-L629 HydrophobicContact CG1-CD1 3.72Å; L629-Q637 WeakPolarHBondContact O-CA 3.37Å; L629-I638 HydrophobicContact CB-CG1 3.98Å; L629-I638 HydrophobicContact CD2-CD1 4.35Å; L629-I638 PolarHBondContact N-O 2.81Å; L629-I638 PolarHBondContact O-N 3.01Å; L629-V640 HydrophobicContact CB-CG2 4.16Å; L629-L645 HydrophobicContact CB-CD1 4.24Å; L629-L645 HydrophobicContact CD1-CD1 4.46Å; L629-L645 HydrophobicContact CD2-CD1 4.35Å; L629-L648 HydrophobicContact CD2-CD2 3.88Å; L629-M649 HydrophobicContact CD1-SD 3.7Å; L629-M649 HydrophobicContact CD2-SD 4.3Å; L629-W659 HydrophobicContact CD2-CZ3 4.38Å; L629-W659 HydrophobicContact CG-CZ3 4.35Å; L629-W659 WeakPolarHBondContact O-CH2 3.42Å
630R97.5Very high95Very high6 Ų637 Ų372%0.02319%0.193CC..EExtended strand (participates in β ladder)trans-90.4136.6171.8177.7171.7168.1-93.92.4109.8Y601 D605 Y611 G612 M635 K636 Q637Y601-R630 HydrophobicContact CE1-CB 4.41Å; D605-R630 IonicContact OD1-CZ 3.59Å; D605-R630 IonicContact OD1-NH1 3.4Å; D605-R630 PolarHBondContact OD1-NH1 2.89Å; D605-R630 IonicContact OD1-NH2 2.67Å; D605-R630 PolarHBondContact OD1-NH2 3.05Å; D605-R630 IonicContact OD2-CZ 2.73Å; D605-R630 IonicContact OD2-NH1 3.52Å; D605-R630 IonicContact OD2-NH2 3.12Å; D605-R630 PolarHBondContact OD2-NH2 2.9Å; Y611-R630 CarbonylContact C-O 3.47Å; Y611-R630 VanDerWaalsContact CA-O 3.22Å; Y611-R630 WeakPolarHBondContact CA-O 3.29Å; G612-R630 PolarHBondContact N-O 2.77Å; G612-R630 WeakPolarHBondContact O-CB 3.21Å; G612-R630 PolarHBondContact O-N 2.82Å; R630-M635 PolarHBondContact NH2-SD 2.6Å; R630-M635 VanDerWaalsContact NH2-SD 3.35Å; R630-K636 WeakPolarHBondContact CA-O 3.48Å; R630-Q637 HydrophobicContact CB-CG 3.77Å; R630-Q637 HydrophobicContact CG-CG 4.03Å
631E96.8Very high95.1Very high22 Ų2237.3 Ų37.310%0.10320%0.196CC..EExtended strand (participates in β ladder)trans-93.7148.8162.9171-95.9-149.400110.5P610 Y611 D633 S634 M635 K636 W659P610-E631 CarbonylContact O-C 3.31Å; P610-E631 WeakPolarHBondContact O-CA 3.31Å; Y611-E631 HydrophobicContact CD1-CB 3.93Å; Y611-E631 HydrophobicContact CD1-CG 4.38Å; Y611-E631 HydrophobicContact CE1-CB 3.75Å; Y611-E631 HydrophobicContact CE1-CG 3.82Å; E631-D633 PolarHBondContact OE2-N 2.9Å; E631-D633 VanDerWaalsContact OE2-N 3.14Å; E631-S634 VanDerWaalsContact CD-OG 3.26Å; E631-S634 PolarHBondContact OE1-N 3.44Å; E631-S634 PolarHBondContact OE1-OG 2.84Å; E631-S634 WeakPolarHBondContact OE2-CA 3.33Å; E631-S634 VanDerWaalsContact OE2-CB 3.26Å; E631-S634 WeakPolarHBondContact OE2-CB 3.38Å; E631-S634 PolarHBondContact OE2-N 3.23Å; E631-S634 PolarHBondContact OE2-OG 2.79Å; E631-M635 WeakPolarHBondContact O-CA 3.47Å; E631-M635 PolarHBondContact O-N 3.44Å; E631-M635 PolarHBondContact OE2-N 2.84Å; E631-K636 PolarHBondContact N-O 2.8Å; E631-W659 HydrophobicContact CB-CD2 3.46Å; E631-W659 VanDerWaalsContact CB-CD2 3.46Å; E631-W659 HydrophobicContact CB-CE3 3.85Å; E631-W659 HydrophobicContact CB-CG 3.93Å; E631-W659 HydrophobicContact CB-CH2 3.88Å; E631-W659 HydrophobicContact CB-CZ2 3.49Å; E631-W659 VanDerWaalsContact CB-CZ2 3.49Å; E631-W659 HydrophobicContact CB-CZ3 4.04Å; E631-W659 HydrophobicContact CG-CB 4.38Å; E631-W659 HydrophobicContact CG-CD2 3.85Å; E631-W659 HydrophobicContact CG-CG 3.73Å
632R96.1Very high95.3Very high5 Ų536.3 Ų36.32%0.01919%0.191CC..SBendtrans-66.3-57.1-173.6178.8-170.264.3-144.1-8.7111.6R539 Y547 L548 I550 A608 I609 P610 M635R539-R632 PolarHBondContact NH1-O 2.89Å; R539-R632 PolarHBondContact NH2-O 2.87Å; Y547-R632 HydrophobicContact CD2-CG 4.35Å; L548-R632 WeakPolarHBondContact O-CD 3.3Å; L548-R632 VanDerWaalsContact O-CZ 3.26Å; L548-R632 PolarHBondContact O-NE 2.83Å; L548-R632 PolarHBondContact O-NH1 3.28Å; I550-R632 VanDerWaalsContact O-CZ 3.28Å; I550-R632 PolarHBondContact O-NH1 2.97Å; I550-R632 PolarHBondContact O-NH2 2.82Å; A608-R632 PolarHBondContact O-NH1 2.96Å; I609-R632 WeakPolarHBondContact O-CD 3.39Å; P610-R632 VanDerWaalsContact O-CB 3.29Å; P610-R632 WeakPolarHBondContact O-CB 3.25Å; P610-R632 PolarHBondContact O-N 2.65Å; R632-M635 PolarHBondContact O-N 2.85Å
633D93.4Very high95.5Very high44 Ų4439.4 Ų39.424%0.23521%0.21CC..SBendtrans-76.3-53.4-159.3-58.9-39.9000112.4R539 Y547 S549 E631 M635R539-D633 PolarHBondContact NH1-O 3.4Å; Y547-D633 VanDerWaalsContact CE2-OD1 3.25Å; Y547-D633 WeakPolarHBondContact CE2-OD1 3.47Å; S549-D633 PolarHBondContact OG-OD1 2.66Å; E631-D633 PolarHBondContact OE2-N 2.9Å; E631-D633 VanDerWaalsContact OE2-N 3.14Å; D633-M635 PolarHBondContact O-N 2.98Å
634S93.9Very high95.8Very high49 Ų4937.2 Ų37.234%0.34320%0.197SC..SBendtrans-71-15171.477.70000114.2E631 K636 W659E631-S634 VanDerWaalsContact CD-OG 3.26Å; E631-S634 PolarHBondContact OE1-N 3.44Å; E631-S634 PolarHBondContact OE1-OG 2.84Å; E631-S634 WeakPolarHBondContact OE2-CA 3.33Å; E631-S634 VanDerWaalsContact OE2-CB 3.26Å; E631-S634 WeakPolarHBondContact OE2-CB 3.38Å; E631-S634 PolarHBondContact OE2-N 3.23Å; E631-S634 PolarHBondContact OE2-OG 2.79Å; S634-K636 PolarHBondContact O-N 3.45Å; S634-K636 WeakPolarHBondContact OG-CB 3.48Å; S634-K636 PolarHBondContact OG-N 2.9Å; S634-W659 PolarHBondContact OG-NE1 3.48Å
635M95Very high96Very high76 Ų7632.8 Ų32.837%0.37417%0.168SC..  trans59.54.2-171.3-50.1-147.4-48.200115.9R545 R630 E631 R632 D633R545-M635 PolarHBondContact NH2-SD 2.91Å; R545-M635 VanDerWaalsContact NH2-SD 3.44Å; R630-M635 PolarHBondContact NH2-SD 2.6Å; R630-M635 VanDerWaalsContact NH2-SD 3.35Å; E631-M635 WeakPolarHBondContact O-CA 3.47Å; E631-M635 PolarHBondContact O-N 3.44Å; E631-M635 PolarHBondContact OE2-N 2.84Å; R632-M635 PolarHBondContact O-N 2.85Å; D633-M635 PolarHBondContact O-N 2.98Å
636K96.2Very high96.1Very high123 Ų12331.9 Ų31.954%0.53516%0.162SC..  trans-68.7157.9-177.5-67174.9-177.1174.50111.1R630 E631 S634 W659R630-K636 WeakPolarHBondContact CA-O 3.48Å; E631-K636 PolarHBondContact N-O 2.8Å; S634-K636 PolarHBondContact O-N 3.45Å; S634-K636 WeakPolarHBondContact OG-CB 3.48Å; S634-K636 PolarHBondContact OG-N 2.9Å; K636-W659 HydrophobicContact CB-CZ2 4.03Å; K636-W659 WeakPolarHBondContact O-CZ2 3.41Å
637Q97.2Very high96.1Very high46 Ų4633.2 Ų33.222%0.21517%0.172CC..EExtended strand (participates in β ladder)trans-130.9143.7-177.1-59.4-166.359.200111.6Y601 T628 L629 R630 F669Y601-Q637 PolarHBondContact OH-OE1 2.79Å; T628-Q637 PolarHBondContact OG1-OE1 2.97Å; L629-Q637 WeakPolarHBondContact O-CA 3.37Å; R630-Q637 HydrophobicContact CB-CG 3.77Å; R630-Q637 HydrophobicContact CG-CG 4.03Å; Q637-F669 HydrophobicContact CB-CB 3.88Å; Q637-F669 HydrophobicContact CB-CD1 4.13Å; Q637-F669 HydrophobicContact CB-CG 4.44Å; Q637-F669 PolarHBondContact O-N 3.24Å
638I97.3Very high96Very high3 Ų333.4 Ų33.42%0.01517%0.173CC..EExtended strand (participates in β ladder)trans-124.4157.4171.260.6-177.2000110T628 L629 V640 W659 A662 R663 Y666 P667T628-I638 CarbonylContact C-O 3.58Å; T628-I638 VanDerWaalsContact CA-O 3.29Å; T628-I638 WeakPolarHBondContact CA-O 3.43Å; L629-I638 HydrophobicContact CB-CG1 3.98Å; L629-I638 HydrophobicContact CD2-CD1 4.35Å; L629-I638 PolarHBondContact N-O 2.81Å; L629-I638 PolarHBondContact O-N 3.01Å; I638-V640 HydrophobicContact CD1-CG2 4.13Å; I638-V640 HydrophobicContact CG1-CG2 3.95Å; I638-W659 HydrophobicContact CB-CH2 4.44Å; I638-W659 HydrophobicContact CD1-CE3 4.34Å; I638-W659 HydrophobicContact CD1-CH2 3.97Å; I638-W659 HydrophobicContact CD1-CZ3 3.5Å; I638-W659 VanDerWaalsContact CD1-CZ3 3.5Å; I638-W659 HydrophobicContact CG1-CH2 3.83Å; I638-W659 HydrophobicContact CG1-CZ3 3.81Å; I638-W659 HydrophobicContact CG2-CH2 4.02Å; I638-A662 HydrophobicContact CD1-CB 3.73Å; I638-R663 HydrophobicContact CG2-CB 4.47Å; I638-R663 HydrophobicContact CG2-CG 3.97Å; I638-Y666 HydrophobicContact CD1-CD2 4.12Å; I638-P667 CarbonylContact C-O 3.54Å; I638-P667 VanDerWaalsContact CA-O 3.24Å; I638-P667 WeakPolarHBondContact CA-O 3.26Å; I638-P667 WeakPolarHBondContact CB-O 3.27Å
639R97.3Very high95.8Very high30 Ų3033.4 Ų33.411%0.11317%0.172CC..EExtended strand (participates in β ladder)trans-103.2122177.8-162.677.9-174.7-163.811110.2D616 D618 T619 S626 A627 P667D616-R639 IonicContact OD1-CZ 2.71Å; D616-R639 IonicContact OD1-NH1 3.01Å; D616-R639 PolarHBondContact OD1-NH1 3.49Å; D616-R639 IonicContact OD1-NH2 3.5Å; D616-R639 PolarHBondContact OD1-NH2 2.89Å; D616-R639 IonicContact OD2-CZ 2.79Å; D616-R639 IonicContact OD2-NH1 2.71Å; D616-R639 PolarHBondContact OD2-NH1 3.32Å; D616-R639 IonicContact OD2-NH2 3.54Å; D618-R639 VanDerWaalsContact CB-NH2 3.28Å; T619-R639 PolarHBondContact OG1-NH2 3.08Å; S626-R639 PolarHBondContact O-NH2 3.43Å; S626-R639 PolarHBondContact OG-NE 3.34Å; A627-R639 WeakPolarHBondContact O-CD 3.23Å; R639-P667 HydrophobicContact CB-CG 4.34Å; R639-P667 PolarHBondContact N-O 2.9Å
640V97Very high95.6Very high0 Ų035.3 Ų35.30%019%0.186CC..EExtended strand (participates in β ladder)trans-126.5136.2-173.3-1720000110.2S626 A627 L629 I638 E644 L645 L648 Y666S626-V640 CarbonylContact C-O 3.56Å; S626-V640 VanDerWaalsContact CA-O 3.24Å; S626-V640 WeakPolarHBondContact CA-O 3.37Å; S626-V640 VanDerWaalsContact CB-O 3.23Å; S626-V640 WeakPolarHBondContact CB-O 3.42Å; A627-V640 PolarHBondContact N-O 3.12Å; A627-V640 PolarHBondContact O-N 2.86Å; L629-V640 HydrophobicContact CB-CG2 4.16Å; I638-V640 HydrophobicContact CD1-CG2 4.13Å; I638-V640 HydrophobicContact CG1-CG2 3.95Å; V640-E644 HydrophobicContact CG1-CB 4.36Å; V640-L645 HydrophobicContact CB-CD1 3.74Å; V640-L645 HydrophobicContact CG1-CB 4.23Å; V640-L645 HydrophobicContact CG1-CD1 3.87Å; V640-L645 HydrophobicContact CG2-CD1 4.17Å; V640-L648 HydrophobicContact CG1-CD2 3.96Å; V640-L648 HydrophobicContact CG2-CD2 4.03Å; V640-Y666 HydrophobicContact CG1-CD1 4.18Å; V640-Y666 HydrophobicContact CG1-CE1 3.89Å; V640-Y666 HydrophobicContact CG1-CE2 4.39Å; V640-Y666 HydrophobicContact CG2-CD1 4.32Å; V640-Y666 HydrophobicContact CG2-CD2 4.07Å; V640-Y666 HydrophobicContact CG2-CG 3.96Å
641P96.7Very high95.4Very high29 Ų2936.8 Ų36.819%0.18819%0.194CC..EExtended strand (participates in β ladder)trans-55.1143170.9-26.737.3000112.9D643 E644 L645P641-D643 WeakPolarHBondContact CB-OD1 3.32Å; P641-D643 PolarHBondContact O-N 3.35Å; P641-E644 HydrophobicContact CB-CB 4.44Å; P641-E644 HydrophobicContact CB-CG 4.34Å; P641-E644 PolarHBondContact O-N 3.49Å; P641-L645 WeakPolarHBondContact O-CB 3.24Å; P641-L645 PolarHBondContact O-N 2.72Å; P641-L645 VanDerWaalsContact O-N 3.1Å
642L95Very high95Very high29 Ų2935.9 Ų35.915%0.15219%0.19CC..THydrogen-bonded Turntrans-65.9-21.9-175.1-75.2-172.5000114.5V573 L577 T619 P625 A627 P646V573-L642 HydrophobicContact CG1-CD1 3.72Å; L577-L642 HydrophobicContact CD2-CD2 4.15Å; T619-L642 HydrophobicContact CG2-CD1 3.79Å; T619-L642 HydrophobicContact CG2-CD2 4.07Å; T619-L642 HydrophobicContact CG2-CG 4.18Å; P625-L642 HydrophobicContact CB-CD1 3.81Å; P625-L642 HydrophobicContact CB-CG 4.21Å; P625-L642 PolarHBondContact O-N 2.73Å; A627-L642 HydrophobicContact CB-CD2 3.74Å; L642-P646 WeakPolarHBondContact O-CD 3.39Å
643D94.1Very high94.6Very high122 Ų12236.6 Ų36.665%0.65220%0.197SC*.THydrogen-bonded Turntrans-84.5-37.817853.2-24.6000112.8P641 P646P641-D643 WeakPolarHBondContact CB-OD1 3.32Å; P641-D643 PolarHBondContact O-N 3.35Å; D643-P646 WeakPolarHBondContact O-CD 3.42Å
644E95.6Very high94.1Very high66 Ų6637.6 Ų37.631%0.30821%0.208SC..THydrogen-bonded Turntrans-75.7-26.3173.8-63.6-163.3-92.100113.2V640 P641 S647 L648 K665V640-E644 HydrophobicContact CG1-CB 4.36Å; P641-E644 HydrophobicContact CB-CB 4.44Å; P641-E644 HydrophobicContact CB-CG 4.34Å; P641-E644 PolarHBondContact O-N 3.49Å; E644-S647 PolarHBondContact O-N 2.8Å; E644-S647 PolarHBondContact O-OG 2.63Å; E644-L648 WeakPolarHBondContact O-CB 3.11Å; E644-L648 PolarHBondContact O-N 2.83Å; E644-K665 IonicContact OE2-NZ 3.5Å; E644-K665 PolarHBondContact OE2-NZ 2.95Å
645L95.1Very high93.5Very high0 Ų037.9 Ų37.90%022%0.218CC..Hα-helixtrans-57.9-43.3-172.4-167.981.4000114.7L577 I613 A627 L629 V640 P641 L648 M649L577-L645 HydrophobicContact CD1-CD2 4.09Å; L577-L645 HydrophobicContact CD2-CD2 3.82Å; L577-L645 HydrophobicContact CG-CD2 4.46Å; I613-L645 HydrophobicContact CB-CD2 4.4Å; I613-L645 HydrophobicContact CD1-CD2 3.74Å; I613-L645 HydrophobicContact CD1-CG 4.37Å; I613-L645 HydrophobicContact CG1-CD2 3.93Å; I613-L645 HydrophobicContact CG2-CD2 3.58Å; A627-L645 HydrophobicContact CB-CD2 4.46Å; L629-L645 HydrophobicContact CB-CD1 4.24Å; L629-L645 HydrophobicContact CD1-CD1 4.46Å; L629-L645 HydrophobicContact CD2-CD1 4.35Å; V640-L645 HydrophobicContact CB-CD1 3.74Å; V640-L645 HydrophobicContact CG1-CB 4.23Å; V640-L645 HydrophobicContact CG1-CD1 3.87Å; V640-L645 HydrophobicContact CG2-CD1 4.17Å; P641-L645 WeakPolarHBondContact O-CB 3.24Å; P641-L645 PolarHBondContact O-N 2.72Å; P641-L645 VanDerWaalsContact O-N 3.1Å; L645-L648 PolarHBondContact O-N 3.12Å; L645-M649 WeakPolarHBondContact O-CB 3.46Å; L645-M649 WeakPolarHBondContact O-CG 3.4Å; L645-M649 PolarHBondContact O-N 2.97Å
646P95.5Very high93Very high4 Ų439.7 Ų39.73%0.02623%0.229CC..Hα-helixtrans-65.5-41.1179.8-2235.4000112.8L577 E580 L581 Y584 L642 D643 M649 S650L577-P646 HydrophobicContact CD1-CG 4.06Å; E580-P646 HydrophobicContact CB-CB 4.33Å; E580-P646 HydrophobicContact CB-CG 3.84Å; L581-P646 HydrophobicContact CD2-CB 4.31Å; Y584-P646 HydrophobicContact CD2-CB 3.5Å; Y584-P646 HydrophobicContact CE2-CB 3.78Å; Y584-P646 HydrophobicContact CG-CB 4.05Å; L642-P646 WeakPolarHBondContact O-CD 3.39Å; D643-P646 WeakPolarHBondContact O-CD 3.42Å; P646-M649 PolarHBondContact O-N 2.91Å; P646-S650 PolarHBondContact O-N 3.3Å
647S95.6Very high92.7Very high42 Ų4238.2 Ų38.229%0.29422%0.223SC..Hα-helixtrans-65.6-44175.350.30000112.4E644 M649 S650 D651E644-S647 PolarHBondContact O-N 2.8Å; E644-S647 PolarHBondContact O-OG 2.63Å; S647-M649 VanDerWaalsContact C-N 3.31Å; S647-M649 PolarHBondContact O-N 3.24Å; S647-S650 WeakPolarHBondContact O-CB 3.04Å; S647-S650 PolarHBondContact O-N 3Å; S647-S650 VanDerWaalsContact O-N 3.11Å; S647-D651 PolarHBondContact O-N 3.42Å
648L95.3Very high92.4Very high5 Ų537.7 Ų37.73%0.02622%0.224CC..Hα-helixtrans-59.1-43.3174.6179.666.1000111.5L629 V640 E644 L645 S650 D651 I652 A662 Y666L629-L648 HydrophobicContact CD2-CD2 3.88Å; V640-L648 HydrophobicContact CG1-CD2 3.96Å; V640-L648 HydrophobicContact CG2-CD2 4.03Å; E644-L648 WeakPolarHBondContact O-CB 3.11Å; E644-L648 PolarHBondContact O-N 2.83Å; L645-L648 PolarHBondContact O-N 3.12Å; L648-S650 VanDerWaalsContact C-N 3.3Å; L648-S650 PolarHBondContact O-N 3.23Å; L648-D651 PolarHBondContact O-N 3.11Å; L648-I652 HydrophobicContact CD1-CD1 3.78Å; L648-I652 HydrophobicContact CD1-CG1 4.29Å; L648-I652 HydrophobicContact CD2-CD1 4.46Å; L648-I652 HydrophobicContact CG-CD1 3.77Å; L648-I652 WeakPolarHBondContact O-CB 3.36Å; L648-I652 VanDerWaalsContact O-CG1 3.26Å; L648-I652 WeakPolarHBondContact O-CG1 3.33Å; L648-I652 PolarHBondContact O-N 3.43Å; L648-A662 HydrophobicContact CD1-CB 4.4Å; L648-Y666 HydrophobicContact CD1-CE2 3.79Å; L648-Y666 HydrophobicContact CD2-CD2 3.98Å; L648-Y666 HydrophobicContact CD2-CE2 3.37Å; L648-Y666 HydrophobicContact CG-CE2 4.14Å
649M94.5Very high92.2Very high0 Ų038.2 Ų38.20%023%0.226CC..Hα-helixtrans-66.2-31.9176.7-79.7-57.1-32.600113K558 C559 L581 V586 Y611 I613 L629 L645 P646 S647 A653K558-M649 HydrophobicContact CB-CE 4.46Å; C559-M649 HydrophobicContact CB-CE 3.65Å; C559-M649 HydrophobicContact CB-SD 4Å; L581-M649 HydrophobicContact CD2-CB 3.89Å; L581-M649 HydrophobicContact CD2-CG 4.1Å; V586-M649 HydrophobicContact CG1-CB 4.16Å; V586-M649 HydrophobicContact CG1-CE 4.41Å; V586-M649 HydrophobicContact CG2-CB 4.17Å; Y611-M649 HydrophobicContact CD2-CE 3.93Å; Y611-M649 HydrophobicContact CG-CE 4.28Å; Y611-M649 HydrophobicContact CG-SD 4.41Å; I613-M649 HydrophobicContact CD1-CG 4.12Å; I613-M649 HydrophobicContact CD1-SD 4.43Å; L629-M649 HydrophobicContact CD1-SD 3.7Å; L629-M649 HydrophobicContact CD2-SD 4.3Å; L645-M649 WeakPolarHBondContact O-CB 3.46Å; L645-M649 WeakPolarHBondContact O-CG 3.4Å; L645-M649 PolarHBondContact O-N 2.97Å; P646-M649 PolarHBondContact O-N 2.91Å; S647-M649 VanDerWaalsContact C-N 3.31Å; S647-M649 PolarHBondContact O-N 3.24Å; M649-A653 WeakPolarHBondContact O-CB 3.41Å; M649-A653 PolarHBondContact O-N 3.41Å
650S93.3Very high92Very high40 Ų4039.5 Ų39.528%0.2824%0.235SC..Hα-helixtrans-65.9-50.2173.3-167.30000111.1P646 S647 L648 I652 A653 S654P646-S650 PolarHBondContact O-N 3.3Å; S647-S650 WeakPolarHBondContact O-CB 3.04Å; S647-S650 PolarHBondContact O-N 3Å; S647-S650 VanDerWaalsContact O-N 3.11Å; L648-S650 VanDerWaalsContact C-N 3.3Å; L648-S650 PolarHBondContact O-N 3.23Å; S650-I652 VanDerWaalsContact C-N 3.32Å; S650-I652 PolarHBondContact O-N 3.19Å; S650-A653 PolarHBondContact O-N 2.78Å; S650-A653 VanDerWaalsContact O-N 3.14Å; S650-S654 PolarHBondContact O-N 3.11Å; S650-S654 PolarHBondContact O-OG 2.99Å
651D92Very high91.9Very high37 Ų3743.5 Ų43.520%0.19826%0.257CS..Hα-helixtrans-61.3-38.5178.7-71.7-38.2000113S647 L648 S654 G655 N656 K657S647-D651 PolarHBondContact O-N 3.42Å; L648-D651 PolarHBondContact O-N 3.11Å; D651-S654 PolarHBondContact O-OG 3.34Å; D651-S654 VanDerWaalsContact O-OG 3.12Å; D651-G655 CarbonylContact O-C 3.48Å; D651-G655 PolarHBondContact O-N 3.35Å; D651-G655 VanDerWaalsContact O-N 3.16Å; D651-N656 HydrophobicContact CB-CB 4.17Å; D651-N656 PolarHBondContact O-N 3.06Å; D651-K657 HydrophobicContact CB-CB 4.1Å; D651-K657 HydrophobicContact CB-CD 3.77Å; D651-K657 HydrophobicContact CB-CG 3.97Å; D651-K657 PolarHBondContact O-N 2.69Å; D651-K657 WeakPolarHBondContact OD2-CE 3.12Å; D651-K657 IonicContact OD2-NZ 2.96Å; D651-K657 PolarHBondContact OD2-NZ 3.42Å
652I89.7Confident91.8Very high3 Ų342.3 Ų42.32%0.01525%0.249CC..Hα-helixtrans-75.4-28.5177.7-67.2173.6000111.3Y611 L648 S650 K657 A662Y611-I652 HydrophobicContact CD2-CG2 3.97Å; Y611-I652 HydrophobicContact CE1-CG2 4.23Å; Y611-I652 HydrophobicContact CE2-CG2 3.18Å; Y611-I652 WeakPolarHBondContact OH-CG2 3.37Å; L648-I652 HydrophobicContact CD1-CD1 3.78Å; L648-I652 HydrophobicContact CD1-CG1 4.29Å; L648-I652 HydrophobicContact CD2-CD1 4.46Å; L648-I652 HydrophobicContact CG-CD1 3.77Å; L648-I652 WeakPolarHBondContact O-CB 3.36Å; L648-I652 VanDerWaalsContact O-CG1 3.26Å; L648-I652 WeakPolarHBondContact O-CG1 3.33Å; L648-I652 PolarHBondContact O-N 3.43Å; S650-I652 VanDerWaalsContact C-N 3.32Å; S650-I652 PolarHBondContact O-N 3.19Å; I652-K657 HydrophobicContact CG1-CB 4.14Å; I652-A662 HydrophobicContact CD1-CB 4.01Å
653A86.5Confident91.7Very high20 Ų2045.4 Ų45.417%0.16526%0.259CS..Hα-helixtrans-75.8-32.4176.400000113.4K558 M649 S650K558-A653 HydrophobicContact CB-CB 4.01Å; K558-A653 HydrophobicContact CD-CB 4.19Å; K558-A653 HydrophobicContact CG-CB 3.75Å; M649-A653 WeakPolarHBondContact O-CB 3.41Å; M649-A653 PolarHBondContact O-N 3.41Å; S650-A653 PolarHBondContact O-N 2.78Å; S650-A653 VanDerWaalsContact O-N 3.14Å
654S82.4Confident91.8Very high66 Ų6643.9 Ų43.946%0.46226%0.263SS..Hα-helixtrans-81.9-17.8173.458.60000113.5S650 D651 N656S650-S654 PolarHBondContact O-N 3.11Å; S650-S654 PolarHBondContact O-OG 2.99Å; D651-S654 PolarHBondContact O-OG 3.34Å; D651-S654 VanDerWaalsContact O-OG 3.12Å; S654-N656 PolarHBondContact OG-ND2 3.44Å; S654-N656 VanDerWaalsContact OG-ND2 3.07Å; S654-N656 PolarHBondContact OG-OD1 2.79Å
655G81.5Confident91.8Very high54 Ų5446.6 Ų46.656%0.55727%0.274SS*.THydrogen-bonded Turntrans90.23.2-174.900000114.3D651 K657D651-G655 CarbonylContact O-C 3.48Å; D651-G655 PolarHBondContact O-N 3.35Å; D651-G655 VanDerWaalsContact O-N 3.16Å; G655-K657 PolarHBondContact O-N 2.9Å
656N86Confident91.8Very high114 Ų11447.5 Ų47.561%0.6128%0.277SS*.SBendtrans-62.2-23.8175.4-63.3-10.2000113.2D651 S654D651-N656 HydrophobicContact CB-CB 4.17Å; D651-N656 PolarHBondContact O-N 3.06Å; S654-N656 PolarHBondContact OG-ND2 3.44Å; S654-N656 VanDerWaalsContact OG-ND2 3.07Å; S654-N656 PolarHBondContact OG-OD1 2.79Å
657K89.5Confident91.8Very high93 Ų9351.6 Ų51.640%0.40430%0.304SS..SBendtrans-138.1140.2176.7-69.9176.3-175.2147.90110.6D651 I652 G655D651-K657 HydrophobicContact CB-CB 4.1Å; D651-K657 HydrophobicContact CB-CD 3.77Å; D651-K657 HydrophobicContact CB-CG 3.97Å; D651-K657 PolarHBondContact O-N 2.69Å; D651-K657 WeakPolarHBondContact OD2-CE 3.12Å; D651-K657 IonicContact OD2-NZ 2.96Å; D651-K657 PolarHBondContact OD2-NZ 3.42Å; I652-K657 HydrophobicContact CG1-CB 4.14Å; G655-K657 PolarHBondContact O-N 2.9Å
658S91.3Very high91.8Very high35 Ų3553.1 Ų53.125%0.24532%0.319CS..  trans-86.1169.6173.9760000112.2D660 D661 A662S658-D660 PolarHBondContact O-N 2.94Å; S658-D660 PolarHBondContact OG-N 3.47Å; S658-D660 VanDerWaalsContact OG-N 3.15Å; S658-D661 WeakPolarHBondContact CA-OD2 3.46Å; S658-D661 VanDerWaalsContact CB-OD2 3.24Å; S658-D661 WeakPolarHBondContact CB-OD2 3.16Å; S658-D661 PolarHBondContact N-OD2 3.31Å; S658-D661 PolarHBondContact O-N 3.28Å; S658-D661 VanDerWaalsContact OG-CG 3.27Å; S658-D661 PolarHBondContact OG-N 3.36Å; S658-D661 VanDerWaalsContact OG-N 3.11Å; S658-D661 PolarHBondContact OG-OD2 3.22Å; S658-A662 PolarHBondContact O-N 3.38Å
659W93.1Very high91.7Very high14 Ų1455.4 Ų55.45%0.05333%0.329CS..Hα-helixtrans-62-31.8166.7175.2-134.4000112.2Y611 L629 E631 S634 K636 I638 A662 R663Y611-W659 HydrophobicContact CE1-CB 4.47Å; Y611-W659 HydrophobicContact CE1-CD2 4.4Å; Y611-W659 AromaticContact CE1-CE3 3.97Å; Y611-W659 HydrophobicContact CE1-CE3 3.97Å; L629-W659 HydrophobicContact CD2-CZ3 4.38Å; L629-W659 HydrophobicContact CG-CZ3 4.35Å; L629-W659 WeakPolarHBondContact O-CH2 3.42Å; E631-W659 HydrophobicContact CB-CD2 3.46Å; E631-W659 VanDerWaalsContact CB-CD2 3.46Å; E631-W659 HydrophobicContact CB-CE3 3.85Å; E631-W659 HydrophobicContact CB-CG 3.93Å; E631-W659 HydrophobicContact CB-CH2 3.88Å; E631-W659 HydrophobicContact CB-CZ2 3.49Å; E631-W659 VanDerWaalsContact CB-CZ2 3.49Å; E631-W659 HydrophobicContact CB-CZ3 4.04Å; E631-W659 HydrophobicContact CG-CB 4.38Å; E631-W659 HydrophobicContact CG-CD2 3.85Å; E631-W659 HydrophobicContact CG-CG 3.73Å; S634-W659 PolarHBondContact OG-NE1 3.48Å; K636-W659 HydrophobicContact CB-CZ2 4.03Å; K636-W659 WeakPolarHBondContact O-CZ2 3.41Å; I638-W659 HydrophobicContact CB-CH2 4.44Å; I638-W659 HydrophobicContact CD1-CE3 4.34Å; I638-W659 HydrophobicContact CD1-CH2 3.97Å; I638-W659 HydrophobicContact CD1-CZ3 3.5Å; I638-W659 VanDerWaalsContact CD1-CZ3 3.5Å; I638-W659 HydrophobicContact CG1-CH2 3.83Å; I638-W659 HydrophobicContact CG1-CZ3 3.81Å; I638-W659 HydrophobicContact CG2-CH2 4.02Å; W659-A662 HydrophobicContact CE3-CB 4.07Å; W659-A662 HydrophobicContact CZ3-CB 4.47Å; W659-A662 PolarHBondContact O-N 3.23Å; W659-R663 HydrophobicContact CD2-CG 4.04Å; W659-R663 HydrophobicContact CE3-CG 4.45Å; W659-R663 HydrophobicContact CH2-CG 4.32Å; W659-R663 HydrophobicContact CZ2-CG 3.88Å; W659-R663 WeakPolarHBondContact O-CG 3.31Å; W659-R663 PolarHBondContact O-N 2.99Å
660D93.5Very high91.3Very high57 Ų5763.9 Ų63.931%0.30537%0.369SS..Hα-helixtrans-69.2-38.4-179.7-64.5-41.2000111S658 R663 A664 N1145S658-D660 PolarHBondContact O-N 2.94Å; S658-D660 PolarHBondContact OG-N 3.47Å; S658-D660 VanDerWaalsContact OG-N 3.15Å; D660-R663 PolarHBondContact O-N 2.87Å; D660-R663 IonicContact OD1-CZ 2.72Å; D660-R663 IonicContact OD1-NH1 2.73Å; D660-R663 PolarHBondContact OD1-NH1 3.23Å; D660-R663 IonicContact OD1-NH2 2.66Å; D660-R663 PolarHBondContact OD1-NH2 3.4Å; D660-A664 PolarHBondContact O-N 3.39Å; D660-N1145 PolarHBondContact OD2-ND2 3.36Å; D660-N1145 VanDerWaalsContact OD2-ND2 3.16Å
661D93.5Very high91Very high84 Ų8468.7 Ų68.745%0.44939%0.387SS..Hα-helixtrans-63.7-40.7172.5-55.7-59.8000112S658 R663 A664 K665S658-D661 WeakPolarHBondContact CA-OD2 3.46Å; S658-D661 VanDerWaalsContact CB-OD2 3.24Å; S658-D661 WeakPolarHBondContact CB-OD2 3.16Å; S658-D661 PolarHBondContact N-OD2 3.31Å; S658-D661 PolarHBondContact O-N 3.28Å; S658-D661 VanDerWaalsContact OG-CG 3.27Å; S658-D661 PolarHBondContact OG-N 3.36Å; S658-D661 VanDerWaalsContact OG-N 3.11Å; S658-D661 PolarHBondContact OG-OD2 3.22Å; D661-R663 PolarHBondContact O-N 2.94Å; D661-A664 PolarHBondContact O-N 3Å; D661-K665 PolarHBondContact O-N 2.83Å
662A93.9Very high90.6Very high3 Ų369.7 Ų69.73%0.02539%0.39CS..Hα-helixtrans-63.4-40.8175.800000111.6I638 L648 I652 S658 W659 A664 K665 Y666I638-A662 HydrophobicContact CD1-CB 3.73Å; L648-A662 HydrophobicContact CD1-CB 4.4Å; I652-A662 HydrophobicContact CD1-CB 4.01Å; S658-A662 PolarHBondContact O-N 3.38Å; W659-A662 HydrophobicContact CE3-CB 4.07Å; W659-A662 HydrophobicContact CZ3-CB 4.47Å; W659-A662 PolarHBondContact O-N 3.23Å; A662-A664 VanDerWaalsContact C-N 3.32Å; A662-K665 PolarHBondContact O-N 3.29Å; A662-Y666 WeakPolarHBondContact O-CD2 3.4Å; A662-Y666 PolarHBondContact O-N 3.08Å
663R94.8Very high90.4Very high95 Ų9576.3 Ų76.336%0.35842%0.421SS..Hα-helixtrans-70.3-24.5173.2-63.4-158.1-42.6-82.1-9.4113.8I638 W659 D660 D661I638-R663 HydrophobicContact CG2-CB 4.47Å; I638-R663 HydrophobicContact CG2-CG 3.97Å; W659-R663 HydrophobicContact CD2-CG 4.04Å; W659-R663 HydrophobicContact CE3-CG 4.45Å; W659-R663 HydrophobicContact CH2-CG 4.32Å; W659-R663 HydrophobicContact CZ2-CG 3.88Å; W659-R663 WeakPolarHBondContact O-CG 3.31Å; W659-R663 PolarHBondContact O-N 2.99Å; D660-R663 PolarHBondContact O-N 2.87Å; D660-R663 IonicContact OD1-CZ 2.72Å; D660-R663 IonicContact OD1-NH1 2.73Å; D660-R663 PolarHBondContact OD1-NH1 3.23Å; D660-R663 IonicContact OD1-NH2 2.66Å; D660-R663 PolarHBondContact OD1-NH2 3.4Å; D661-R663 PolarHBondContact O-N 2.94Å
664A95Very high90.2Very high89 Ų8977.2 Ų77.274%0.73642%0.424SS*.Hα-helixtrans-74.9-33.6174.200000112.3D660 D661 A662D660-A664 PolarHBondContact O-N 3.39Å; D661-A664 PolarHBondContact O-N 3Å; A662-A664 VanDerWaalsContact C-N 3.32Å
665K95.4Very high90.1Very high124 Ų12477.5 Ų77.554%0.53943%0.431SS..Hα-helixtrans-85.1-41.7-179.6-175.7178.6170.1-161.10114.3E644 D661 A662E644-K665 IonicContact OE2-NZ 3.5Å; E644-K665 PolarHBondContact OE2-NZ 2.95Å; D661-K665 PolarHBondContact O-N 2.83Å; A662-K665 PolarHBondContact O-N 3.29Å
666Y95.8Very high89.9Confident18 Ų1879.6 Ų79.67%0.07143%0.426CS..SBendtrans-112.4144.9-169.1-54.6-76.6000112.8I638 V640 L648 A662I638-Y666 HydrophobicContact CD1-CD2 4.12Å; V640-Y666 HydrophobicContact CG1-CD1 4.18Å; V640-Y666 HydrophobicContact CG1-CE1 3.89Å; V640-Y666 HydrophobicContact CG1-CE2 4.39Å; V640-Y666 HydrophobicContact CG2-CD1 4.32Å; V640-Y666 HydrophobicContact CG2-CD2 4.07Å; V640-Y666 HydrophobicContact CG2-CG 3.96Å; L648-Y666 HydrophobicContact CD1-CE2 3.79Å; L648-Y666 HydrophobicContact CD2-CD2 3.98Å; L648-Y666 HydrophobicContact CD2-CE2 3.37Å; L648-Y666 HydrophobicContact CG-CE2 4.14Å; A662-Y666 WeakPolarHBondContact O-CD2 3.4Å; A662-Y666 PolarHBondContact O-N 3.08Å
667P95.2Very high89Confident90 Ų9080.9 Ų80.958%0.58443%0.426SS*.  trans-64142.9-177.226.6-35000112.1I638 R639I638-P667 CarbonylContact C-O 3.54Å; I638-P667 VanDerWaalsContact CA-O 3.24Å; I638-P667 WeakPolarHBondContact CA-O 3.26Å; I638-P667 WeakPolarHBondContact CB-O 3.27Å; R639-P667 HydrophobicContact CB-CG 4.34Å; R639-P667 PolarHBondContact N-O 2.9Å
668A95.3Very high87.1Confident75 Ų7582.9 Ų82.962%0.6244%0.441SS*.BIsolated β-bridgetrans-62144.7171.300000111
669F93.3Very high84.6Confident52 Ų5290.9 Ų90.923%0.22848%0.475CS..  trans-93110.9174.4173.3-100000110.2T628 Q637 Q671 Q672T628-F669 HydrophobicContact CG2-CB 4.21Å; T628-F669 HydrophobicContact CG2-CD1 3.89Å; T628-F669 HydrophobicContact CG2-CD2 3.53Å; T628-F669 HydrophobicContact CG2-CE1 4.09Å; T628-F669 HydrophobicContact CG2-CE2 3.74Å; T628-F669 HydrophobicContact CG2-CG 3.59Å; T628-F669 HydrophobicContact CG2-CZ 4.01Å; Q637-F669 HydrophobicContact CB-CB 3.88Å; Q637-F669 HydrophobicContact CB-CD1 4.13Å; Q637-F669 HydrophobicContact CB-CG 4.44Å; Q637-F669 PolarHBondContact O-N 3.24Å; F669-Q671 WeakPolarHBondContact CE2-O 3.45Å; F669-Q672 HydrophobicContact CE2-CB 4.34Å; F669-Q672 HydrophobicContact CZ-CB 4.13Å
670E87.3Confident81.9Confident179 Ų17996.1 Ų96.184%0.83651%0.509SS*.  trans-89-53.5177.3-59.2-176162.300111.6
671Q86.3Confident78.9Confident141 Ų14198.6 Ų98.666%0.65954%0.537SS*.  trans-155.1167.4179.763.5-179.9-2.100111.4F669F669-Q671 WeakPolarHBondContact CE2-O 3.45Å
672Q84.1Confident76.1Confident58 Ų58103.3 Ų103.327%0.27156%0.556SS.*  trans-93.4134.6173.5-176.6-173.4-18.200109.5D618 F669 T674D618-Q672 HydrophobicContact CB-CG 4.31Å; D618-Q672 WeakPolarHBondContact OD1-CG 3.43Å; F669-Q672 HydrophobicContact CE2-CB 4.34Å; F669-Q672 HydrophobicContact CZ-CB 4.13Å; Q672-T674 PolarHBondContact NE2-O 3.47Å
673E84.2Confident73Confident142 Ų142109.3 Ų109.366%0.66460%0.598SS**  trans-95.2-25-174.6-74.9158.6-122.700114D618 K622D618-E673 PolarHBondContact OD1-N 3.36Å; D618-E673 PolarHBondContact OD2-N 3.23Å; D618-E673 VanDerWaalsContact OD2-N 3.09Å; K622-E673 WeakPolarHBondContact CE-OE2 3.43Å; K622-E673 IonicContact NZ-OE1 3.48Å; K622-E673 PolarHBondContact NZ-OE1 2.86Å; K622-E673 IonicContact NZ-OE2 2.69Å; K622-E673 PolarHBondContact NZ-OE2 2.95Å
674T83.5Confident70Confident39 Ų39109 Ų10924%0.23961%0.61CS.*  trans-112.3143.3-17675.20000111.9F617 D618 N621 K622 Q672F617-T674 PolarHBondContact O-OG1 2.87Å; D618-T674 PolarHBondContact N-OG1 3.09Å; D618-T674 WeakPolarHBondContact OD1-CA 3.46Å; D618-T674 VanDerWaalsContact OD1-CB 3.24Å; D618-T674 WeakPolarHBondContact OD1-CB 3.32Å; D618-T674 WeakPolarHBondContact OD1-CG2 3.01Å; D618-T674 PolarHBondContact OD1-N 3.23Å; D618-T674 PolarHBondContact OD1-OG1 3.07Å; N621-T674 HydrophobicContact CB-CG2 3.87Å; N621-T674 WeakPolarHBondContact CB-OG1 3.5Å; N621-T674 WeakPolarHBondContact ND2-CB 3.44Å; N621-T674 PolarHBondContact ND2-OG1 2.58Å; K622-T674 HydrophobicContact CG-CG2 4.49Å; Q672-T674 PolarHBondContact NE2-O 3.47Å
675A80Confident66.8Low72 Ų72110.3 Ų110.360%0.59561%0.614SS**  trans-103.8178.7175.700000111.6N621 K677N621-A675 PolarHBondContact ND2-O 3.28Å; A675-K677 PolarHBondContact O-N 2.84Å
676Q77.8Confident63.8Low98 Ų98111 Ų11146%0.45862%0.623SS.*  trans-57.4128.3163.9-169.2177.6-19.200109.2H567 F617 N678H567-Q676 PolarHBondContact CD2-NE2 2.88Å; H567-Q676 PolarHBondContact NE2-NE2 3.49Å; F617-Q676 HydrophobicContact CD1-CB 4.37Å; F617-Q676 HydrophobicContact CD2-CB 4.48Å; F617-Q676 HydrophobicContact CE1-CB 3.81Å; F617-Q676 HydrophobicContact CE1-CG 3.99Å; F617-Q676 HydrophobicContact CE2-CB 3.95Å; F617-Q676 HydrophobicContact CZ-CB 3.59Å; F617-Q676 HydrophobicContact CZ-CG 4.02Å; Q676-N678 PolarHBondContact O-N 2.84Å
677K66.9Low60.8Low141 Ų141119 Ų11961%0.61366%0.662SS**  trans-72.3117.3173.1-74.3168.4175.1153.30108.4N621 A675 E679N621-K677 WeakPolarHBondContact OD1-CE 3.34Å; N621-K677 PolarHBondContact OD1-NZ 3.48Å; A675-K677 PolarHBondContact O-N 2.84Å; K677-E679 PolarHBondContact O-N 2.92Å
678N49.2Very low58.1Low135 Ų135121.6 Ų121.672%0.72267%0.666SS**  trans-72.6107.3175.9-76.8-22.4000110.1Q676 T680Q676-N678 PolarHBondContact O-N 2.84Å; N678-T680 PolarHBondContact O-N 3.44Å; N678-T680 PolarHBondContact O-OG1 3.35Å
679E38.9Very low55.5Low202 Ų202121.5 Ų121.594%0.94466%0.661SS**  trans-68.478.2166.7-66.8-167145.900110.4K677K677-E679 PolarHBondContact O-N 2.92Å
680T35.7Very low52.9Low125 Ų125124.9 Ų124.977%0.76768%0.68SS**  trans-87.2130.2168.223.30000109N678 Q682N678-T680 PolarHBondContact O-N 3.44Å; N678-T680 PolarHBondContact O-OG1 3.35Å; T680-Q682 PolarHBondContact O-N 2.97Å
681A31Very low50.6Low108 Ų108120.4 Ų120.489%0.89366%0.662SS**  trans-67.3113.4-159.600000114.4
682Q34Very low48.3Very low184 Ų184116.5 Ų116.586%0.8665%0.65SS**  trans-140.3131.5153.8-101.2-179.3-3.500110.4T680 S684T680-Q682 PolarHBondContact O-N 2.97Å; Q682-S684 PolarHBondContact O-N 3.08Å
683S28.7Very low46.5Very low128 Ų128116 Ų11690%0.89565%0.649SS**  trans-90.691.7-172.2550000112.1
684S32.4Very low44.7Very low88 Ų88111 Ų11162%0.61563%0.629SS**  trans-153.8111.7166.857.90000112.5Q682 N686Q682-S684 PolarHBondContact O-N 3.08Å; S684-N686 PolarHBondContact O-N 2.77Å
685S28.5Very low42.8Very low118 Ų118117 Ų11783%0.82565%0.651SS**  trans7.2102.4156.955.20000117.8
686N32.4Very low41.3Very low137 Ų137120.1 Ų120.173%0.73365%0.653SS**  trans-158.556.8168.4-115.8-26.8000113.8S684 H688S684-N686 PolarHBondContact O-N 2.77Å; N686-H688 PolarHBondContact O-N 2.73Å; N686-H688 VanDerWaalsContact O-N 3.16Å
687E31.7Very low40.1Very low187 Ų187116.5 Ų116.587%0.87464%0.636SS**THydrogen-bonded Turntrans-66.1-12.7178.5-64.5-175.7123.300113.8S689E687-S689 VanDerWaalsContact C-N 3.34Å; E687-S689 PolarHBondContact O-N 3.13Å
688H40Very low38.7Very low145 Ų145112.5 Ų112.567%0.67164%0.636SS**Hα-helixtrans-69.2-16.4-171-77.5-43.9000116.6N686 S692N686-H688 PolarHBondContact O-N 2.73Å; N686-H688 VanDerWaalsContact O-N 3.16Å; H688-S692 PolarHBondContact O-N 3.04Å
689S39.7Very low38.6Very low73 Ų73107.8 Ų107.851%0.5161%0.61SS.*Hα-helixtrans-68.1-42.1-175.3-169.40000113.3E687E687-S689 VanDerWaalsContact C-N 3.34Å; E687-S689 PolarHBondContact O-N 3.13Å
690L38.4Very low38.4Very low122 Ų122100.4 Ų100.464%0.63959%0.588SS**Hα-helixtrans-75.8-35.5179.2-88.2164.8000111.6S692 I693 T694L690-S692 VanDerWaalsContact C-N 3.33Å; L690-S692 PolarHBondContact O-N 3.25Å; L690-I693 PolarHBondContact O-N 3.45Å; L690-T694 VanDerWaalsContact O-CB 3.29Å; L690-T694 WeakPolarHBondContact O-CB 3.25Å; L690-T694 PolarHBondContact O-N 2.86Å; L690-T694 PolarHBondContact O-OG1 3.23Å
691D39.1Very low38.7Very low86 Ų86102.7 Ų102.746%0.4659%0.59SS.*Hα-helixtrans-64.2-35.3178.6-109.724.1000112.6T694 K695D691-T694 PolarHBondContact O-N 2.93Å; D691-K695 WeakPolarHBondContact O-CB 3.32Å; D691-K695 WeakPolarHBondContact O-CG 3.25Å; D691-K695 PolarHBondContact O-N 3.16Å
692S38.4Very low39.4Very low59 Ų59102.7 Ų102.741%0.41357%0.574SS.*Hα-helixtrans-67.2-39.5176.7-159.60000112.4H688 L690 H696H688-S692 PolarHBondContact O-N 3.04Å; L690-S692 VanDerWaalsContact C-N 3.33Å; L690-S692 PolarHBondContact O-N 3.25Å; S692-H696 PolarHBondContact O-N 3.1Å; S692-H696 VanDerWaalsContact O-N 3.11Å
693I46.1Very low39.6Very low48 Ų4896.1 Ų96.125%0.24655%0.548CS..Hα-helixtrans-68.8-44.4174.1-63.4169.6000109.8L620 L690 K695 H696 I697L620-I693 WeakPolarHBondContact O-CD1 3.28Å; L690-I693 PolarHBondContact O-N 3.45Å; I693-K695 VanDerWaalsContact C-N 3.31Å; I693-K695 PolarHBondContact O-N 2.66Å; I693-H696 PolarHBondContact O-N 3.25Å; I693-I697 HydrophobicContact CG2-CD1 3.55Å; I693-I697 HydrophobicContact CG2-CG1 4.22Å; I693-I697 WeakPolarHBondContact O-CB 3.46Å; I693-I697 WeakPolarHBondContact O-CG1 3.42Å; I693-I697 PolarHBondContact O-N 2.96Å
694T45.8Very low40.1Very low37 Ų3794.7 Ų94.723%0.22753%0.531CS..Hα-helixtrans-61.6-37.6179.3-56.90000111.8L690 D691 G698 L699L690-T694 VanDerWaalsContact O-CB 3.29Å; L690-T694 WeakPolarHBondContact O-CB 3.25Å; L690-T694 PolarHBondContact O-N 2.86Å; L690-T694 PolarHBondContact O-OG1 3.23Å; D691-T694 PolarHBondContact O-N 2.93Å; T694-G698 PolarHBondContact O-N 2.87Å; T694-L699 HydrophobicContact CG2-CB 3.72Å; T694-L699 PolarHBondContact O-N 3.38Å
695K45Very low40.5Very low165 Ų16593.4 Ų93.472%0.71752%0.522SS*.Hα-helixtrans-67.9-51.4172.7-79.6179.2176.9176.80112.6D691 I693 I697 G698D691-K695 WeakPolarHBondContact O-CB 3.32Å; D691-K695 WeakPolarHBondContact O-CG 3.25Å; D691-K695 PolarHBondContact O-N 3.16Å; I693-K695 VanDerWaalsContact C-N 3.31Å; I693-K695 PolarHBondContact O-N 2.66Å; K695-I697 VanDerWaalsContact C-N 3.31Å; K695-I697 PolarHBondContact O-N 3.33Å; K695-G698 PolarHBondContact O-N 2.79Å; K695-G698 VanDerWaalsContact O-N 3.16Å
696H48.5Very low41.2Very low136 Ų13691.8 Ų91.863%0.6351%0.506SS*.Hα-helixtrans-67.4-28.4180-82.7-44.8000113.8S692 I693 G698S692-H696 PolarHBondContact O-N 3.1Å; S692-H696 VanDerWaalsContact O-N 3.11Å; I693-H696 PolarHBondContact O-N 3.25Å; H696-G698 VanDerWaalsContact C-N 3.3Å
697I51.3Low41.8Very low22 Ų2291.5 Ų91.511%0.11350%0.499CS..THydrogen-bonded Turntrans-86.5-0.9177-60.4-176.7000111.8K576 P625 I693 K695 L699K576-I697 HydrophobicContact CD-CG2 3.57Å; K576-I697 PolarHBondContact NZ-O 3.48Å; P625-I697 HydrophobicContact CB-CD1 4.46Å; P625-I697 HydrophobicContact CG-CD1 4.2Å; P625-I697 HydrophobicContact CG-CG1 4.26Å; I693-I697 HydrophobicContact CG2-CD1 3.55Å; I693-I697 HydrophobicContact CG2-CG1 4.22Å; I693-I697 WeakPolarHBondContact O-CB 3.46Å; I693-I697 WeakPolarHBondContact O-CG1 3.42Å; I693-I697 PolarHBondContact O-N 2.96Å; K695-I697 VanDerWaalsContact C-N 3.31Å; K695-I697 PolarHBondContact O-N 3.33Å; I697-L699 HydrophobicContact CB-CD1 4.26Å; I697-L699 HydrophobicContact CB-CG 4.34Å; I697-L699 HydrophobicContact CG2-CD1 3.92Å; I697-L699 HydrophobicContact CG2-CG 3.95Å
698G37.2Very low42.4Very low58 Ų5888.6 Ų88.660%0.59849%0.485SS*.THydrogen-bonded Turntrans71.526.9173.500000114.4T694 K695 H696 G700T694-G698 PolarHBondContact O-N 2.87Å; K695-G698 PolarHBondContact O-N 2.79Å; K695-G698 VanDerWaalsContact O-N 3.16Å; H696-G698 VanDerWaalsContact C-N 3.3Å; G698-G700 VanDerWaalsContact C-N 3.27Å; G698-G700 PolarHBondContact O-N 3.15Å
699L48.5Very low42.5Very low36 Ų3688.4 Ų88.419%0.18849%0.485CS..  trans-84.67.1-172.5-70.2170.9000114.3K576 T694 I697 E701 I702 S703K576-L699 HydrophobicContact CD-CD2 4.42Å; T694-L699 HydrophobicContact CG2-CB 3.72Å; T694-L699 PolarHBondContact O-N 3.38Å; I697-L699 HydrophobicContact CB-CD1 4.26Å; I697-L699 HydrophobicContact CB-CG 4.34Å; I697-L699 HydrophobicContact CG2-CD1 3.92Å; I697-L699 HydrophobicContact CG2-CG 3.95Å; L699-E701 PolarHBondContact O-N 3.41Å; L699-I702 HydrophobicContact CD2-CD1 4.1Å; L699-I702 PolarHBondContact O-N 3.05Å; L699-S703 PolarHBondContact O-N 3.24Å
700G34.6Very low42.7Very low46 Ų4693 Ų9347%0.47450%0.495SS..Hα-helixtrans-57.5-41.6-173.700000114.3G698G698-G700 VanDerWaalsContact C-N 3.27Å; G698-G700 PolarHBondContact O-N 3.15Å
701E41.8Very low43.1Very low174 Ų17493.2 Ų93.281%0.81350%0.497SS*.Hα-helixtrans-74-37.1-176.9-59.8-175.9152.700112.4L699 S703 N704L699-E701 PolarHBondContact O-N 3.41Å; E701-S703 VanDerWaalsContact C-N 3.32Å; E701-S703 PolarHBondContact O-N 3.11Å; E701-N704 PolarHBondContact O-N 3.4Å
702I45.7Very low43.2Very low107 Ų10795.8 Ų95.855%0.54951%0.511SS..Hα-helixtrans-68.4-34179.5-55.4-178.5000110.9L699 N704 V706L699-I702 HydrophobicContact CD2-CD1 4.1Å; L699-I702 PolarHBondContact O-N 3.05Å; I702-N704 VanDerWaalsContact C-N 3.3Å; I702-N704 PolarHBondContact O-N 3.09Å; I702-V706 HydrophobicContact CG2-CG2 4.41Å; I702-V706 WeakPolarHBondContact O-CG2 3.34Å; I702-V706 PolarHBondContact O-N 3.13Å
703S38Very low43Very low46 Ų4698.5 Ų98.532%0.32252%0.52SS..Hα-helixtrans-57.5-40.1177.2-171.70000113L699 E701 K707L699-S703 PolarHBondContact O-N 3.24Å; E701-S703 VanDerWaalsContact C-N 3.32Å; E701-S703 PolarHBondContact O-N 3.11Å; S703-K707 WeakPolarHBondContact O-CG 3.4Å; S703-K707 PolarHBondContact O-N 2.98Å
704N39.3Very low42.4Very low99 Ų99101.6 Ų101.653%0.52954%0.541SS..Hα-helixtrans-75.7-47-176.6-71.6-13.5000112E701 I702 V706 K707 E708E701-N704 PolarHBondContact O-N 3.4Å; I702-N704 VanDerWaalsContact C-N 3.3Å; I702-N704 PolarHBondContact O-N 3.09Å; N704-V706 VanDerWaalsContact C-N 3.26Å; N704-V706 PolarHBondContact O-N 2.96Å; N704-K707 WeakPolarHBondContact O-CA 3.47Å; N704-K707 PolarHBondContact O-N 3.17Å; N704-E708 PolarHBondContact O-N 2.89Å
705S39.8Very low41.9Very low61 Ų61109.2 Ų109.243%0.42757%0.571SS.*Hα-helixtrans-58.2-38.1179.3-169.90000112.5K707 E708 Q709S705-K707 VanDerWaalsContact C-N 3.33Å; S705-K707 PolarHBondContact O-N 3.41Å; S705-E708 PolarHBondContact O-N 3.15Å; S705-Q709 WeakPolarHBondContact O-CB 3.25Å; S705-Q709 WeakPolarHBondContact O-CG 3.39Å; S705-Q709 PolarHBondContact O-N 3.23Å
706V43.1Very low41.3Very low83 Ų83107.7 Ų107.750%0.50358%0.575SS.*Hα-helixtrans-70.7-24.6176.4175.60000113.1I702 N704I702-V706 HydrophobicContact CG2-CG2 4.41Å; I702-V706 WeakPolarHBondContact O-CG2 3.34Å; I702-V706 PolarHBondContact O-N 3.13Å; N704-V706 VanDerWaalsContact C-N 3.26Å; N704-V706 PolarHBondContact O-N 2.96Å
707K46.3Very low40.5Very low132 Ų132108.8 Ų108.857%0.57458%0.58SS**Hα-helixtrans-81.9-40.9173-75.4173.9177.81720111.8S703 N704 S705 K710S703-K707 WeakPolarHBondContact O-CG 3.4Å; S703-K707 PolarHBondContact O-N 2.98Å; N704-K707 WeakPolarHBondContact O-CA 3.47Å; N704-K707 PolarHBondContact O-N 3.17Å; S705-K707 VanDerWaalsContact C-N 3.33Å; S705-K707 PolarHBondContact O-N 3.41Å; K707-K710 PolarHBondContact O-N 3.33Å
708E44.5Very low39.5Very low126 Ų126114.6 Ų114.659%0.58961%0.607SS**Hα-helixtrans-69.5-42.8-179.6-68.7-177.2136.300112.6N704 S705 K710 N711 N712N704-E708 PolarHBondContact O-N 2.89Å; S705-E708 PolarHBondContact O-N 3.15Å; E708-K710 PolarHBondContact O-N 2.7Å; E708-K710 VanDerWaalsContact O-N 3.13Å; E708-N711 PolarHBondContact O-N 3.4Å; E708-N712 PolarHBondContact O-N 2.93Å
709Q41.7Very low39.2Very low141 Ų141123.3 Ų123.366%0.65962%0.624SS**Hα-helixtrans-62.5-20.4176.2-73.6-169.8-300113.7S705S705-Q709 WeakPolarHBondContact O-CB 3.25Å; S705-Q709 WeakPolarHBondContact O-CG 3.39Å; S705-Q709 PolarHBondContact O-N 3.23Å
710K44.3Very low38.4Very low169 Ų169127 Ų12774%0.73565%0.648SS**Hα-helixtrans-83.5-20.8173.8-82.3-175.4171-178.10114.3K707 E708K707-K710 PolarHBondContact O-N 3.33Å; E708-K710 PolarHBondContact O-N 2.7Å; E708-K710 VanDerWaalsContact O-N 3.13Å
711N45.9Very low38.3Very low126 Ų126131.7 Ų131.767%0.67467%0.668SS**Hα-helixtrans-94.5-30.9-178.1-74.4-16.4000113.3E708 I713E708-N711 PolarHBondContact O-N 3.4Å; N711-I713 VanDerWaalsContact C-N 3.25Å; N711-I713 PolarHBondContact O-N 3.46Å; N711-I713 VanDerWaalsContact O-N 3.11Å
712N41.2Very low37.9Very low140 Ų140128.5 Ų128.575%0.74966%0.662SS**THydrogen-bonded Turntrans-79.113.6-171.7-76-12.2000116.3E708E708-N712 PolarHBondContact O-N 2.93Å
713I34.4Very low37.3Very low117 Ų117130 Ų13060%0.668%0.676SS**THydrogen-bonded Turntrans-105-0.3-175.5-67.6178.5000113.3N711N711-I713 VanDerWaalsContact C-N 3.25Å; N711-I713 PolarHBondContact O-N 3.46Å; N711-I713 VanDerWaalsContact O-N 3.11Å
714T34.2Very low37.1Very low112 Ų112136.4 Ų136.469%0.68770%0.7SS**SBendtrans-133.582.1-175.6-46.80000115
715K34.9Very low36.7Very low198 Ų198134.8 Ų134.886%0.86171%0.707SS**  trans173172.5149.3-96.1151.2-170.4175.60110.2
716T33.1Very low36.4Very low132 Ų132140.1 Ų140.181%0.8173%0.725SS**  trans57.5107.7-177.640.80000114.2
717H31.5Very low35.9Very low159 Ų159143 Ų14374%0.73673%0.733SS**  cis52.4135.528.1-68.7-12.3000113.1
718Q29Very low35.1Very low145 Ų145142 Ų14268%0.67874%0.739SS**  cis-167.7142.9-3.9-118.6166.8-18.800106.4
719Y31.3Very low34.5Very low241 Ų241143.1 Ų143.195%0.94575%0.748SS**  trans-161.1139.5144.6-106.3-68000110.4
720T32.1Very low34Very low112 Ų112143.8 Ų143.869%0.68775%0.751SS**  trans-136.9152-169.450.10000110.7
721T31.4Very low33.3Very low146 Ų146139.1 Ų139.190%0.89674%0.74SS**  trans-155.4140.2133.913.80000111.2
722P35.3Very low32.6Very low107 Ų107141.2 Ų141.270%0.69574%0.743SS**  trans-122.1175.7-175.643.4-33.3000114.5
723V31.7Very low32.1Very low139 Ų139142.9 Ų142.984%0.84275%0.747SS**  trans-141147.7151.3-176.10000110.4
724H33.4Very low32Very low180 Ų180143 Ų14383%0.83375%0.752SS**  trans-68.1171.9-178.6-48.9-73.2000114.7
725G32.1Very low31.9Very low65 Ų65146.1 Ų146.167%0.6776%0.759SS**  cis149.3164.7-7.200000113.7
726E32.4Very low31.6Very low173 Ų173141.7 Ų141.781%0.80876%0.76SS**  trans69.4149.8165.3-54.8-159.6111.200118
727Q33Very low31.4Very low143 Ų143140.5 Ų140.567%0.66876%0.757SS**  cis-158.5154.2-5.1-121.4175.535.900111.1
728T30.2Very low31.3Very low112 Ų112144.4 Ų144.469%0.68777%0.765SS**  trans19.5148149.356.10000122.7
729D31.5Very low31.4Very low148 Ų148147.9 Ų147.979%0.79178%0.778SS**  cis-165.6-150.4-15-126.2-89.2000107.7
730E31.3Very low31.5Very low156 Ų156139.7 Ų139.773%0.72977%0.767SS**  cis-155.9130.98.6-159.5-134.5143.900113.8
731S29.5Very low31.3Very low71 Ų71144.7 Ų144.750%0.49778%0.779SS.*  trans75.9155.9146.686.20000125.2
732K32.1Very low31.4Very low169 Ų169147.1 Ų147.174%0.73578%0.777SS**  trans77.199.6161.1-65.6165.8-164.8168.10117.6
733E29.9Very low31.3Very low176 Ų176146.9 Ų146.982%0.82278%0.784SS**  86.1133.687.6-81.4177.6155.400112.2
734T32Very low31.4Very low118 Ų118147.5 Ų147.572%0.72478%0.782SS**  cis-142.6149.830.6500000116.2
735H32.2Very low31.5Very low178 Ų178142.7 Ų142.782%0.82476%0.762SS**  trans46.695.8149.4-70.8-65.7000122.1
736A28.1Very low31.8Very low106 Ų106150.6 Ų150.688%0.87677%0.772SS**  trans-136.287151.500000111.8
737S28.7Very low32.4Very low107 Ų107146.3 Ų146.375%0.74876%0.758SS**  trans-166.489.3169.747.70000115.1
738R29.6Very low33Very low240 Ų240142.9 Ų142.991%0.90674%0.744SS**  trans-165.992.7155.2-118.1178.3-175.7-179.52.6112.1
739F32Very low33.6Very low219 Ų219140.9 Ų140.996%0.96173%0.734SS**  trans-177.8105.9133-103.9-66.7000109.7
740G32Very low34.5Very low68 Ų68135.2 Ų135.270%0.70171%0.71SS**  trans-80.6145.4177.200000112.5K742G740-K742 PolarHBondContact O-N 3.24Å
741K29.2Very low35.9Very low217 Ų217133.6 Ų133.694%0.94370%0.701SS**  trans-7.6105.2166-62.5176.4179.21790115.8
742K32.2Very low37.3Very low198 Ų198134.1 Ų134.186%0.86170%0.701SS**  trans-124.2131.2147.3-83.4-173171.4-177.40108.3G740G740-K742 PolarHBondContact O-N 3.24Å
743A34.3Very low39Very low101 Ų101130.3 Ų130.384%0.83569%0.688SS**  trans-68.1133.1171.200000109.2N745A743-N745 PolarHBondContact O-N 3.5Å
744L33.6Very low40.8Very low153 Ų153128.9 Ų128.980%0.80168%0.675SS**  trans-73.294.2178.1-91.8160.6000110.2W746L744-W746 PolarHBondContact O-N 3.05Å; L744-W746 VanDerWaalsContact O-N 3.11Å
745N36Very low42.9Very low79 Ų79129.7 Ų129.742%0.42267%0.668SS.*  trans-68.6102.6167.4177.513.7000109.3A743 T747 D748A743-N745 PolarHBondContact O-N 3.5Å; N745-T747 PolarHBondContact ND2-OG1 3.08Å; N745-T747 PolarHBondContact O-N 3.37Å; N745-T747 PolarHBondContact OD1-N 2.97Å; N745-T747 PolarHBondContact OD1-OG1 3.39Å; N745-D748 PolarHBondContact ND2-OD2 3.44Å; N745-D748 PolarHBondContact O-N 2.86Å
746W37.1Very low45Very low230 Ų230129.9 Ų129.987%0.87166%0.662SS**Hα-helixtrans-53.8-27.4-179.1-79.163.2000113.2L744 D748 G750L744-W746 PolarHBondContact O-N 3.05Å; L744-W746 VanDerWaalsContact O-N 3.11Å; W746-D748 VanDerWaalsContact C-N 3.3Å; W746-D748 PolarHBondContact O-N 3.02Å; W746-G750 PolarHBondContact O-N 3.43Å
747T46.1Very low47Very low84 Ų84131.1 Ų131.152%0.51565%0.645SS.*Hα-helixtrans-68.3-24.3178.167.10000113.9N745 K751N745-T747 PolarHBondContact ND2-OG1 3.08Å; N745-T747 PolarHBondContact O-N 3.37Å; N745-T747 PolarHBondContact OD1-N 2.97Å; N745-T747 PolarHBondContact OD1-OG1 3.39Å; T747-K751 VanDerWaalsContact O-CG 3.29Å; T747-K751 WeakPolarHBondContact O-CG 3.45Å; T747-K751 PolarHBondContact O-N 2.98Å
748D44.6Very low49.4Very low71 Ų71131.8 Ų131.838%0.3863%0.634SS.*Hα-helixtrans-85.2-30.8179.6-66-40.1000112.6N745 W746 K751 T752N745-D748 PolarHBondContact ND2-OD2 3.44Å; N745-D748 PolarHBondContact O-N 2.86Å; W746-D748 VanDerWaalsContact C-N 3.3Å; W746-D748 PolarHBondContact O-N 3.02Å; D748-K751 PolarHBondContact O-N 2.97Å; D748-K751 WeakPolarHBondContact OD1-CE 3.35Å; D748-K751 IonicContact OD1-NZ 3.74Å; D748-K751 PolarHBondContact OD1-NZ 2.95Å; D748-T752 PolarHBondContact O-N 3.27Å; D748-T752 VanDerWaalsContact O-N 3.08Å; D748-T752 PolarHBondContact O-OG1 2.94Å
749C43.2Very low51.6Low70 Ų70124.3 Ų124.347%0.47361%0.61SS.*Hα-helixtrans-63.3-46.7169.3-161.80000110.3K751 T752 I753C749-K751 VanDerWaalsContact C-N 3.34Å; C749-K751 PolarHBondContact O-N 3.21Å; C749-T752 PolarHBondContact O-N 3.38Å; C749-T752 VanDerWaalsContact O-N 3.09Å; C749-I753 WeakPolarHBondContact O-CG1 3.22Å; C749-I753 PolarHBondContact O-N 3.13Å
750G51.4Low53.6Low28 Ų28118.9 Ų118.929%0.28959%0.587SS.*Hα-helixtrans-60.4-35.7175.900000114.4W746 R754W746-G750 PolarHBondContact O-N 3.43Å; G750-R754 WeakPolarHBondContact O-CG 3.04Å; G750-R754 PolarHBondContact O-N 3.26Å; G750-R754 VanDerWaalsContact O-N 3.15Å
751K59.6Low55.5Low122 Ų122119.9 Ų119.953%0.5357%0.573SS.*Hα-helixtrans-65.2-42.7171.6-70.6166-157.8166.50111.9T747 D748 C749 R754 K755T747-K751 VanDerWaalsContact O-CG 3.29Å; T747-K751 WeakPolarHBondContact O-CG 3.45Å; T747-K751 PolarHBondContact O-N 2.98Å; D748-K751 PolarHBondContact O-N 2.97Å; D748-K751 WeakPolarHBondContact OD1-CE 3.35Å; D748-K751 IonicContact OD1-NZ 3.74Å; D748-K751 PolarHBondContact OD1-NZ 2.95Å; C749-K751 VanDerWaalsContact C-N 3.34Å; C749-K751 PolarHBondContact O-N 3.21Å; K751-R754 PolarHBondContact O-N 2.88Å; K751-K755 PolarHBondContact O-N 2.82Å
752T59.6Low57.7Low83 Ų83114.3 Ų114.351%0.50955%0.551SS.*Hα-helixtrans-66.9-41-177.7-53.60000111.3D748 C749 K755 R756D748-T752 PolarHBondContact O-N 3.27Å; D748-T752 VanDerWaalsContact O-N 3.08Å; D748-T752 PolarHBondContact O-OG1 2.94Å; C749-T752 PolarHBondContact O-N 3.38Å; C749-T752 VanDerWaalsContact O-N 3.09Å; T752-K755 PolarHBondContact O-N 3.5Å; T752-R756 PolarHBondContact O-N 3.17Å; T752-R756 VanDerWaalsContact O-N 3.14Å
753I67.1Low59.6Low88 Ų88113.6 Ų113.645%0.45154%0.543SS..Hα-helixtrans-62.1-49.3174.3-68.2166.4000110.4C749 K755 R756 Y757C749-I753 WeakPolarHBondContact O-CG1 3.22Å; C749-I753 PolarHBondContact O-N 3.13Å; I753-K755 VanDerWaalsContact C-N 3.31Å; I753-K755 PolarHBondContact O-N 3.05Å; I753-R756 PolarHBondContact O-N 3.33Å; I753-R756 VanDerWaalsContact O-N 3.16Å; I753-Y757 HydrophobicContact CG2-CD2 3.69Å; I753-Y757 HydrophobicContact CG2-CE2 3.81Å; I753-Y757 PolarHBondContact O-N 2.98Å
754R68.7Low61.3Low146 Ų146113.6 Ų113.655%0.55153%0.526SS*.Hα-helixtrans-56.8-41.6175.1-72.9178.9-147-146.40.5113.2G750 K751 R756 Y757 K758G750-R754 WeakPolarHBondContact O-CG 3.04Å; G750-R754 PolarHBondContact O-N 3.26Å; G750-R754 VanDerWaalsContact O-N 3.15Å; K751-R754 PolarHBondContact O-N 2.88Å; R754-R756 VanDerWaalsContact C-N 3.34Å; R754-R756 PolarHBondContact O-N 3.48Å; R754-Y757 PolarHBondContact O-N 3.33Å; R754-K758 WeakPolarHBondContact O-CB 3.29Å; R754-K758 PolarHBondContact O-N 2.98Å
755K76Confident63.1Low135 Ų135112.2 Ų112.259%0.58751%0.513SS*.Hα-helixtrans-60.4-45.7178.1-168.6174.2-170.7-76.90110.6K751 T752 I753 K758 E759K751-K755 PolarHBondContact O-N 2.82Å; T752-K755 PolarHBondContact O-N 3.5Å; I753-K755 VanDerWaalsContact C-N 3.31Å; I753-K755 PolarHBondContact O-N 3.05Å; K755-K758 PolarHBondContact O-N 3.46Å; K755-E759 IonicContact NZ-OE1 2.8Å; K755-E759 PolarHBondContact NZ-OE1 3.33Å; K755-E759 WeakPolarHBondContact O-CB 3.44Å; K755-E759 WeakPolarHBondContact O-CG 3.48Å; K755-E759 PolarHBondContact O-N 3.29Å
756R75.3Confident64.3Low182 Ų182111.6 Ų111.669%0.68752%0.515SS*.Hα-helixtrans-66.7-42.5177.3-76.5-170.4173.7-172.1-1.1113.8T752 I753 R754 K758 E759 Q760T752-R756 PolarHBondContact O-N 3.17Å; T752-R756 VanDerWaalsContact O-N 3.14Å; I753-R756 PolarHBondContact O-N 3.33Å; I753-R756 VanDerWaalsContact O-N 3.16Å; R754-R756 VanDerWaalsContact C-N 3.34Å; R754-R756 PolarHBondContact O-N 3.48Å; R756-K758 VanDerWaalsContact C-N 3.29Å; R756-K758 PolarHBondContact O-N 3.01Å; R756-E759 PolarHBondContact O-N 3.02Å; R756-Q760 WeakPolarHBondContact O-CB 3.45Å; R756-Q760 PolarHBondContact O-N 3.48Å
757Y71.1Confident65.2Low133 Ų133107.3 Ų107.352%0.52251%0.508SS..Hα-helixtrans-60.2-41.9174.9-93.5-79.8000111.4I753 R754 Q760 E761I753-Y757 HydrophobicContact CG2-CD2 3.69Å; I753-Y757 HydrophobicContact CG2-CE2 3.81Å; I753-Y757 PolarHBondContact O-N 2.98Å; R754-Y757 PolarHBondContact O-N 3.33Å; Y757-Q760 PolarHBondContact O-N 2.67Å; Y757-E761 WeakPolarHBondContact O-CB 3.07Å; Y757-E761 PolarHBondContact O-N 3.32Å
758K77.7Confident65.3Low121 Ų121109.2 Ų109.253%0.52652%0.52SS..Hα-helixtrans-69.3-40177.1-153.5-173.8-177.2-1430112.7R754 K755 R756 Q760 E761 E762R754-K758 WeakPolarHBondContact O-CB 3.29Å; R754-K758 PolarHBondContact O-N 2.98Å; K755-K758 PolarHBondContact O-N 3.46Å; R756-K758 VanDerWaalsContact C-N 3.29Å; R756-K758 PolarHBondContact O-N 3.01Å; K758-Q760 PolarHBondContact O-N 2.99Å; K758-E761 PolarHBondContact O-N 2.88Å; K758-E762 WeakPolarHBondContact CD-OE1 3.18Å; K758-E762 WeakPolarHBondContact CE-OE1 3.39Å; K758-E762 IonicContact NZ-OE1 2.81Å; K758-E762 PolarHBondContact NZ-OE1 3.01Å; K758-E762 VanDerWaalsContact O-CB 3.28Å; K758-E762 WeakPolarHBondContact O-CB 3.44Å; K758-E762 VanDerWaalsContact O-CG 3.27Å; K758-E762 WeakPolarHBondContact O-CG 3.4Å; K758-E762 PolarHBondContact O-N 3.27Å
759E77.6Confident65.1Low83 Ų83108.7 Ų108.739%0.38853%0.531SS..Hα-helixtrans-61.7-30.4171.6-74.2167.5162.200112.7K755 R756 R763K755-E759 IonicContact NZ-OE1 2.8Å; K755-E759 PolarHBondContact NZ-OE1 3.33Å; K755-E759 WeakPolarHBondContact O-CB 3.44Å; K755-E759 WeakPolarHBondContact O-CG 3.48Å; K755-E759 PolarHBondContact O-N 3.29Å; R756-E759 PolarHBondContact O-N 3.02Å; E759-R763 WeakPolarHBondContact O-CB 3.28Å; E759-R763 WeakPolarHBondContact O-CG 3.42Å; E759-R763 PolarHBondContact O-N 3.06Å; E759-R763 VanDerWaalsContact O-N 3.16Å
760Q72.2Confident64.7Low104 Ų104113.4 Ų113.449%0.48655%0.546SS..Hα-helixtrans-77.8-44.6174.8179.7169.4-18.400111.8R756 Y757 K758 E762 R763 E764R756-Q760 WeakPolarHBondContact O-CB 3.45Å; R756-Q760 PolarHBondContact O-N 3.48Å; Y757-Q760 PolarHBondContact O-N 2.67Å; K758-Q760 PolarHBondContact O-N 2.99Å; Q760-E762 VanDerWaalsContact C-N 3.34Å; Q760-E762 PolarHBondContact O-N 2.92Å; Q760-R763 CarbonylContact O-C 3.59Å; Q760-R763 WeakPolarHBondContact O-CA 3.31Å; Q760-R763 WeakPolarHBondContact O-CB 3.38Å; Q760-R763 PolarHBondContact O-N 3.29Å; Q760-R763 VanDerWaalsContact O-N 3.09Å; Q760-E764 HydrophobicContact CG-CG 4.45Å; Q760-E764 VanDerWaalsContact CG-OE1 3.22Å; Q760-E764 WeakPolarHBondContact CG-OE1 3.47Å; Q760-E764 PolarHBondContact NE2-OE1 2.89Å; Q760-E764 WeakPolarHBondContact O-CG 3.37Å; Q760-E764 PolarHBondContact O-N 3.29Å
761E72.1Confident63.9Low89 Ų89119.8 Ų119.842%0.41657%0.574SS.*Hα-helixtrans-62.5-40.6175.8-165.9-162.1172.800111.6Y757 K758 R763 E764 K765Y757-E761 WeakPolarHBondContact O-CB 3.07Å; Y757-E761 PolarHBondContact O-N 3.32Å; K758-E761 PolarHBondContact O-N 2.88Å; E761-R763 VanDerWaalsContact C-N 3.32Å; E761-E764 PolarHBondContact O-N 2.73Å; E761-K765 HydrophobicContact CG-CD 4.35Å; E761-K765 WeakPolarHBondContact O-CB 3.29Å; E761-K765 VanDerWaalsContact O-CG 3.28Å; E761-K765 WeakPolarHBondContact O-CG 3.14Å; E761-K765 PolarHBondContact O-N 2.87Å; E761-K765 WeakPolarHBondContact OE1-CE 3.47Å; E761-K765 IonicContact OE1-NZ 3.7Å; E761-K765 PolarHBondContact OE1-NZ 2.89Å
762E76.4Confident62.8Low101 Ų101121.1 Ų121.147%0.47259%0.585SS.*Hα-helixtrans-65.7-34.3173.2-71.9170.5-172.700111.2K758 Q760 S766K758-E762 WeakPolarHBondContact CD-OE1 3.18Å; K758-E762 WeakPolarHBondContact CE-OE1 3.39Å; K758-E762 IonicContact NZ-OE1 2.81Å; K758-E762 PolarHBondContact NZ-OE1 3.01Å; K758-E762 VanDerWaalsContact O-CB 3.28Å; K758-E762 WeakPolarHBondContact O-CB 3.44Å; K758-E762 VanDerWaalsContact O-CG 3.27Å; K758-E762 WeakPolarHBondContact O-CG 3.4Å; K758-E762 PolarHBondContact O-N 3.27Å; Q760-E762 VanDerWaalsContact C-N 3.34Å; Q760-E762 PolarHBondContact O-N 2.92Å; E762-S766 WeakPolarHBondContact O-CB 3.46Å; E762-S766 PolarHBondContact O-N 3.43Å
763R70.8Confident61.5Low183 Ų183125.1 Ų125.169%0.69160%0.602SS**Hα-helixtrans-68.2-48.1171.4-88.7177.4168.9-172.5-3.8113.1E759 Q760 E761 K765 S766 L767E759-R763 WeakPolarHBondContact O-CB 3.28Å; E759-R763 WeakPolarHBondContact O-CG 3.42Å; E759-R763 PolarHBondContact O-N 3.06Å; E759-R763 VanDerWaalsContact O-N 3.16Å; Q760-R763 CarbonylContact O-C 3.59Å; Q760-R763 WeakPolarHBondContact O-CA 3.31Å; Q760-R763 WeakPolarHBondContact O-CB 3.38Å; Q760-R763 PolarHBondContact O-N 3.29Å; Q760-R763 VanDerWaalsContact O-N 3.09Å; E761-R763 VanDerWaalsContact C-N 3.32Å; R763-K765 VanDerWaalsContact C-N 3.31Å; R763-K765 PolarHBondContact O-N 2.84Å; R763-S766 WeakPolarHBondContact CA-OG 3.31Å; R763-S766 WeakPolarHBondContact O-CA 3.44Å; R763-S766 WeakPolarHBondContact O-CB 3.33Å; R763-S766 PolarHBondContact O-N 3.43Å; R763-S766 PolarHBondContact O-OG 3.19Å; R763-L767 WeakPolarHBondContact O-CG 3.36Å; R763-L767 PolarHBondContact O-N 3.15Å
764E71.1Confident60Low101 Ų101127 Ų12747%0.47262%0.618SS.*Hα-helixtrans-61.8-41.8180-73.9169-165.300110.4Q760 E761 S766 L767 T768Q760-E764 HydrophobicContact CG-CG 4.45Å; Q760-E764 VanDerWaalsContact CG-OE1 3.22Å; Q760-E764 WeakPolarHBondContact CG-OE1 3.47Å; Q760-E764 PolarHBondContact NE2-OE1 2.89Å; Q760-E764 WeakPolarHBondContact O-CG 3.37Å; Q760-E764 PolarHBondContact O-N 3.29Å; E761-E764 PolarHBondContact O-N 2.73Å; E764-S766 VanDerWaalsContact C-N 3.34Å; E764-S766 PolarHBondContact O-N 3.39Å; E764-L767 PolarHBondContact O-N 2.96Å; E764-T768 PolarHBondContact O-N 3.16Å; E764-T768 PolarHBondContact O-OG1 3.33Å; E764-T768 VanDerWaalsContact O-OG1 3.05Å
765K71.6Confident58.2Low124 Ų124128.2 Ų128.254%0.53963%0.63SS.*Hα-helixtrans-61.4-36.9170.8-73.4168.3178.1172.90113.3E761 R763 T768 G769E761-K765 HydrophobicContact CG-CD 4.35Å; E761-K765 WeakPolarHBondContact O-CB 3.29Å; E761-K765 VanDerWaalsContact O-CG 3.28Å; E761-K765 WeakPolarHBondContact O-CG 3.14Å; E761-K765 PolarHBondContact O-N 2.87Å; E761-K765 WeakPolarHBondContact OE1-CE 3.47Å; E761-K765 IonicContact OE1-NZ 3.7Å; E761-K765 PolarHBondContact OE1-NZ 2.89Å; R763-K765 VanDerWaalsContact C-N 3.31Å; R763-K765 PolarHBondContact O-N 2.84Å; K765-T768 PolarHBondContact O-OG1 3.23Å; K765-G769 PolarHBondContact O-N 2.64Å
766S61.3Low56.2Low65 Ų65128.3 Ų128.346%0.45564%0.642SS.*Hα-helixtrans-69.8-37.4174.875.90000112.9E762 R763 E764 G769E762-S766 WeakPolarHBondContact O-CB 3.46Å; E762-S766 PolarHBondContact O-N 3.43Å; R763-S766 WeakPolarHBondContact CA-OG 3.31Å; R763-S766 WeakPolarHBondContact O-CA 3.44Å; R763-S766 WeakPolarHBondContact O-CB 3.33Å; R763-S766 PolarHBondContact O-N 3.43Å; R763-S766 PolarHBondContact O-OG 3.19Å; E764-S766 VanDerWaalsContact C-N 3.34Å; E764-S766 PolarHBondContact O-N 3.39Å; S766-G769 PolarHBondContact O-N 3.33Å
767L55.1Low54Low141 Ų141124.5 Ų124.574%0.73864%0.643SS**Hα-helixtrans-73.8-26.6-180-73.6163.4000112.8R763 E764R763-L767 WeakPolarHBondContact O-CG 3.36Å; R763-L767 PolarHBondContact O-N 3.15Å; E764-L767 PolarHBondContact O-N 2.96Å
768T47.9Very low52.2Low124 Ų124124.7 Ų124.776%0.76166%0.658SS**THydrogen-bonded Turntrans-88.2-2.5170.4540000113.8E764 K765E764-T768 PolarHBondContact O-N 3.16Å; E764-T768 PolarHBondContact O-OG1 3.33Å; E764-T768 VanDerWaalsContact O-OG1 3.05Å; K765-T768 PolarHBondContact O-OG1 3.23Å
769G41.1Very low50Low59 Ų59124.5 Ų124.561%0.60867%0.672SS**SBendtrans-104.74.7-171.600000115.8K765 S766K765-G769 PolarHBondContact O-N 2.64Å; S766-G769 PolarHBondContact O-N 3.33Å
770Q34.1Very low47.9Very low170 Ų170128.6 Ų128.679%0.79470%0.696SS**  trans-130.870.6-174.8-68.8-165.8-41.500113.2
771D36.2Very low46.1Very low161 Ų161130.5 Ų130.586%0.86171%0.71SS**  trans-159163145.2-125.5-33.3000112.9
772I34.9Very low44.1Very low151 Ų151133.5 Ų133.577%0.77473%0.728SS**  trans64.889.4178-46.9-179.3000116
773L32.7Very low42.1Very low166 Ų166132.5 Ų132.587%0.86973%0.732SS**  trans-75134.4154.6-77.7158000110.9
774T35.9Very low40.3Very low129 Ų129134.7 Ų134.779%0.79174%0.74SS**  trans-174.7151.9132.5180000113.5
775H32.3Very low38.6Very low171 Ų171136.1 Ų136.179%0.79275%0.751SS**  trans-43.3156.7-178.5-55.3-87.4000116
776T32.8Very low36.8Very low137 Ų137134.6 Ų134.684%0.8475%0.752SS**  cis-158.7162.144.3-40.50000113.7
777S29.7Very low35.5Very low102 Ų102139.3 Ų139.371%0.71377%0.767SS**  trans-85153.4-169.155.40000117.4
778V32.8Very low34.7Very low137 Ų137139.7 Ų139.783%0.8378%0.776SS**  trans-138.2125.4143.6179.40000110.6
779S32Very low34Very low116 Ų116137.5 Ų137.581%0.81178%0.778SS**  trans40118.1158.7-55.20000121.6
780N32.2Very low33.6Very low170 Ų170138.3 Ų138.391%0.90979%0.786SS**  trans-135.7152.8152.3-147.9-5.2000109.2
781N35.1Very low33.7Very low143 Ų143137.6 Ų137.677%0.76579%0.786SS**  trans-88.2151.9-171.7-87.5-45000114.3
782L31.2Very low33.5Very low152 Ų152136.9 Ų136.980%0.79678%0.781SS**  trans8.5143.5154.3-74.280.5000119.9
783S32.6Very low33.4Very low81 Ų81134.8 Ų134.857%0.56678%0.779SS**  cis179.1150.1-2.853.70000112.4
784R33Very low33.4Very low228 Ų228129.9 Ų129.986%0.8677%0.769SS**  trans66157.6160.9-62.3169.3177.3158-1.3114.8
785N35.2Very low33.2Very low131 Ų131133.8 Ų133.870%0.70177%0.771SS**  cis-166.9159.5-11.9-112.852.6000106.8
786T34.7Very low33.1Very low92 Ų92132.4 Ų132.456%0.56477%0.769SS**  cis-167145.8-19.316.90000110.4
787E35.1Very low33.1Very low165 Ų165130.1 Ų130.177%0.77176%0.764SS**  trans71.1139.1140.8-67.9172.6169.700124.7
788T36.5Very low33.4Very low149 Ų149132.2 Ų132.291%0.91477%0.767SS**  trans65.3141.7160.858.20000120.5
789G33.6Very low33.4Very low78 Ų78133.1 Ų133.180%0.80476%0.762SS**  cis164.9132.3-14.500000116.4
790G32.8Very low33.4Very low76 Ų76135.3 Ų135.378%0.78476%0.76SS**  trans93.4163.2160.400000118.8
791I36.3Very low33.4Very low155 Ų155133.4 Ų133.480%0.79575%0.75SS**  cis-168.7148-14.7-133.3164.9000112.3
792I33.2Very low33.2Very low146 Ų146132.7 Ų132.775%0.74975%0.746SS**  trans64.9132.7160.4-71.1170.4000117.6
793S31.7Very low33.2Very low106 Ų106130.6 Ų130.674%0.74174%0.739SS**  cis86.9138.635.4-171.20000114.5
794G32.1Very low33.2Very low63 Ų63136.8 Ų136.865%0.64975%0.752SS**  cis174.4-169.1-1.400000112.5
795Y32.4Very low33.1Very low211 Ų211128.9 Ų128.983%0.82774%0.741SS**  trans74.3103.5164.1-72.4-79.7000123.4
796D30.6Very low33.1Very low143 Ų143131.5 Ų131.577%0.76575%0.746SS**  43.7141.2113.7-51.1-20.8000125.7
797A33.1Very low33.2Very low89 Ų89133 Ų13374%0.73675%0.751SS**  trans118.2137.6130.100000121.8
798D34.7Very low33.2Very low145 Ų145133.1 Ų133.178%0.77575%0.749SS**  trans76.8108.2147.5-58.8-16.7000126.3
799H32.9Very low33.1Very low156 Ų156132.8 Ų132.872%0.72274%0.741SS**  60.8125.5124.5-80.9-103000125.5
800E32.3Very low33.1Very low163 Ų163133.7 Ų133.776%0.76274%0.735SS**  93.7152.1129.9-84.3167.9-149.500126.2
801D33.4Very low33.1Very low130 Ų130140.5 Ų140.570%0.69574%0.737SS**  trans68.395.8160.5-85.9-10.9000126.1
802N29.9Very low33Very low127 Ų127140.2 Ų140.268%0.67974%0.735SS**  59.9118.2106.3-81.7-45.1000124.7
803T31.2Very low32.8Very low108 Ų108141.6 Ų141.666%0.66374%0.738SS**  90.6149.9127.663.90000124.5
804Y31.6Very low33.1Very low212 Ų212141 Ų14183%0.83173%0.732SS**  trans68.7145.6168.2-62.3-77.1000119.2
805G31.8Very low33.1Very low61 Ų61145.5 Ų145.563%0.62974%0.736SS**  cis164.2176.7-8.600000114.9
806F35.7Very low33.2Very low187 Ų187141.4 Ų141.482%0.8273%0.729SS**  trans69.9156171.7-66.2-79000117.2
807N35.8Very low33.3Very low122 Ų122139 Ų13965%0.65272%0.723SS**  cis-153162.914.3-120.8-34.3000108.4
808K35.5Very low33.1Very low169 Ų169140.4 Ų140.474%0.73573%0.727SS**  cis-163.8174.7-0.8-157.2164.9-168.7175.80110.5
809L34.7Very low33Very low142 Ų142138.3 Ų138.374%0.74373%0.73SS**  trans79.299.1163.2-57.4172.9000116.4
810S34.3Very low32.8Very low97 Ų97139.6 Ų139.668%0.67874%0.736SS**  73.7129.558.195.60000113.2
811R32Very low32.5Very low218 Ų218139 Ų13982%0.82374%0.738SS**  cis-158.6151.830.2-112.5175.9177.2168.6-0.9113.4
812I33.9Very low32.2Very low150 Ų150137 Ų13777%0.76973%0.733SS**  trans79.8123.7140.1-70169.6000120.9
813H29.7Very low32.3Very low174 Ų174137.7 Ų137.781%0.80674%0.738SS**  trans-74.5178.6164.7-103.8-65.5000111.5
814P36.9Very low32.2Very low94 Ų94139 Ų13961%0.6174%0.74SS**  cis-142.7-174.927.543.9-23.2000116.2
815Q33.8Very low32.3Very low158 Ų158135 Ų13574%0.73874%0.74SS**  trans39.7150134.5-67.6174.1-70.300121.7
816D32.5Very low32.2Very low125 Ų125139.5 Ų139.567%0.66874%0.744SS**  cis-157.7169.4-2.9-120.9-33.5000112.5
817S33.2Very low31.9Very low92 Ų92137.1 Ų137.164%0.64375%0.745SS**  trans5.4119.9161.363.60000122.7
818S30Very low31.7Very low118 Ų118134.9 Ų134.983%0.82574%0.744SS**  76.7177.4123.981.20000121.9
819A32.1Very low31.6Very low101 Ų101134.8 Ų134.884%0.83575%0.751SS**  trans84.6139.9173.800000118.4
820Q28.1Very low31.2Very low183 Ų183132.6 Ų132.686%0.85575%0.747SS**  trans-91.4174.5-172-59.9161.2-73.900112.4
821L27.1Very low31.2Very low151 Ų151134 Ų13479%0.79175%0.753SS**  trans99.1131.3142.1-129.280.4000119.6
822S27.3Very low31.2Very low87 Ų87132.2 Ų132.261%0.60875%0.752SS**  trans67.6132.3143.847.20000122.5
823D31.5Very low31.2Very low143 Ų143130 Ų13077%0.76575%0.747SS**  trans76114.5141.3-56.7-14.5000122.9
824L28.9Very low31.3Very low136 Ų136129 Ų12971%0.71275%0.747SS**  44.5132.8128.4-71164.5000120.1Q826L824-Q826 HydrophobicContact CD2-CG 4.33Å
825P33.3Very low30.9Very low128 Ų128128.3 Ų128.383%0.83174%0.744SS**  -133.6-179.590.938.8-29.8000115.4
826Q29.4Very low30.8Very low154 Ų154128.1 Ų128.172%0.7275%0.748SS**  trans-106.9174.6-170-60.8173.8-20.500113.5L824L824-Q826 HydrophobicContact CD2-CG 4.33Å
827T29Very low30.6Very low137 Ų137128.3 Ų128.384%0.8475%0.754SS**  trans77155.5163.781.30000115.8
828A33Very low30.5Very low75 Ų75129.9 Ų129.962%0.6276%0.762SS**  cis-149168.510.300000114.6
829N33.6Very low30.2Very low167 Ų167129.5 Ų129.589%0.89376%0.759SS**  trans80.5138.3155.5-61.4-17.9000120.8
830C25.9Very low30.1Very low97 Ų97131.5 Ų131.566%0.65576%0.761SS**  trans-124172.3-178.7-167.30000107.6
831P34.2Very low30Very low125 Ų125131.9 Ų131.981%0.81276%0.759SS**  -144.6155.1100.937.6-23000115.9
832K31.5Very low30.2Very low182 Ų182134.1 Ų134.179%0.79176%0.763SS**  trans-96.9-156.2159.1-58.4-175.2175.4-178.80107.5
833P34.7Very low30.2Very low103 Ų103133.6 Ų133.667%0.66976%0.759SS**  cis-143.9-161.5-431.7-4.5000115.3
834L31.4Very low30Very low152 Ų152135.6 Ų135.680%0.79676%0.761SS**  trans77.9125.4161.9-52.1161.2000115.7
835S27.9Very low30.1Very low80 Ų80135.3 Ų135.356%0.55976%0.76SS**  cis95.6114.821.380.90000115.9
836N32.2Very low29.9Very low155 Ų155133.4 Ų133.483%0.82975%0.75SS**  173.9156.2114-85.9-25.7000112.9
837V27.6Very low30Very low128 Ų128132.2 Ų132.278%0.77675%0.749SS**  trans-101.9149.4174.5-165.40000108.6
838P31.2Very low30.1Very low125 Ų125134.1 Ų134.181%0.81275%0.745SS**  -141.6154.2119.937.1-25.1000113.8
839S24.8Very low30Very low111 Ų111135.1 Ų135.178%0.77675%0.748SS**  trans-122133.1174.851.70000111
840V29.1Very low29.9Very low142 Ų142135.2 Ų135.286%0.86174%0.743SS**  trans-140.5143.1179.1-176.10000110.1
841K26.6Very low30.2Very low191 Ų191136.7 Ų136.783%0.8375%0.749SS**  trans-95158.3-179.5-56.4171.5178.5176.80111.8
842K30.4Very low30Very low199 Ų199137 Ų13787%0.86574%0.74SS**  trans148158.5144.3-85167.9-179.9-174.10111
843S27.4Very low30.1Very low76 Ų76136.4 Ų136.453%0.53174%0.739SS.*  cis164.5150.9-39.951.60000109.3
844F26.7Very low29.9Very low185 Ų185135.2 Ų135.281%0.81173%0.727SS**  trans68.1155.4177.3-61.3-84.4000114.5
845D32Very low29.8Very low129 Ų129133.7 Ų133.769%0.6972%0.715SS**  cis-138.5154.9-8.4-100.7-48.3000106.7
846S29.2Very low29.8Very low89 Ų89134.3 Ų134.362%0.62272%0.719SS**  cis90.210037.6109.50000116
847D31.8Very low29.5Very low129 Ų129131.9 Ų131.969%0.6971%0.714SS**  trans168.9121.3147.1-95.8-23.8000108.6
848K30.2Very low29.6Very low176 Ų176134.8 Ų134.877%0.76572%0.719SS**  72.4111.371.4-69.3-163.8-151970115.2
849S30.8Very low29.3Very low97 Ų97139.8 Ų139.868%0.67872%0.723SS**  160.1141.895.155.20000114.7
850H32.4Very low29.6Very low168 Ų168139.8 Ų139.878%0.77872%0.721SS**  trans54.7143.9153.1-55-46.4000120.8
851T31.5Very low29.6Very low129 Ų129138.9 Ų138.979%0.79172%0.718SS**  cis-160.9164-10.113.20000109.4
852E31Very low29.7Very low132 Ų132138.1 Ų138.162%0.61772%0.722SS**  trans-92.5167.1-170.8-57.9152.4142.900114.8
853H33.1Very low29.7Very low168 Ų168133.5 Ų133.578%0.77871%0.714SS**  trans-173.885.8130.4-98.4-56.1000114.4
854D30.2Very low29.7Very low78 Ų78134.8 Ų134.842%0.41772%0.724SS.*  24.4117.9126.5-144.40.6000120.2T972 T973D854-T972 WeakPolarHBondContact OD2-CA 3.37Å; D854-T973 PolarHBondContact OD2-N 2.99Å
855F28.6Very low29.9Very low121 Ų121133.9 Ų133.953%0.53173%0.727SS.*  174.1143.4108.1-105.9-72.5000118.9T973F855-T973 HydrophobicContact CZ-CG2 4.1Å
856S29Very low29.8Very low92 Ų92132.2 Ų132.264%0.64373%0.726SS**  trans51.7121.1147.861.80000123.4
857S26.8Very low29.8Very low104 Ų104137.5 Ų137.573%0.72774%0.738SS**  trans48.4107.613863.80000120.6
858E29.4Very low29.6Very low190 Ų190137.5 Ų137.589%0.88875%0.747SS**  -168.3169115.4-107167.9-163.600110.5P860E858-P860 WeakPolarHBondContact O-CD 3.38Å
859Y25.3Very low29.6Very low230 Ų230138.1 Ų138.190%0.90275%0.745SS**PPolyproline II helixtrans-75.3119.7174.7-86.4-99.3000110.6
860P30Very low29.6Very low111 Ų111143 Ų14372%0.72176%0.757SS**PPolyproline II helixtrans-86.5121.617032.6-29.6000110.6E858E858-P860 WeakPolarHBondContact O-CD 3.38Å
861P28.3Very low29.5Very low122 Ų122143.3 Ų143.379%0.79276%0.756SS**PPolyproline II helixtrans-74.6140.9172.631.2-33.9000110.6
862L29.8Very low29.5Very low175 Ų175143.6 Ų143.692%0.91675%0.752SS**  trans-116.5107.5171.8-78.5177.1000111.9
863S29.3Very low29.5Very low102 Ų102141.4 Ų141.471%0.71375%0.749SS**  trans-70.5138.3176.154.50000112.8
864S28.7Very low29.4Very low104 Ų104142 Ų14273%0.72775%0.746SS**  trans45.1113.3145.763.70000119
865N30.7Very low29.3Very low165 Ų165145.6 Ų145.688%0.88276%0.76SS**  trans-142.8153.4131.1-131.1-44.5000112.8
866S29.5Very low29.3Very low95 Ų95142.2 Ų142.266%0.66476%0.759SS**  trans-88.3131.7-157.663.20000114.9
867K29.7Very low29.2Very low200 Ų200142.9 Ų142.987%0.8776%0.759SS**  trans-175.6104.2133.9-98.9150-170.3170.40111.1R869K867-R869 PolarHBondContact O-N 2.99Å
868S27.6Very low29.2Very low128 Ų128146.4 Ų146.490%0.89576%0.762SS**  trans-67.2111.8172.353.70000110.9
869R30.5Very low29.2Very low190 Ų190143.1 Ų143.172%0.71775%0.754SS**  trans-150.474.7171.2-154.5176.1-165.4-1743.8111.1K867 K871K867-R869 PolarHBondContact O-N 2.99Å; R869-K871 PolarHBondContact O-N 3Å
870E30.7Very low29.2Very low199 Ų199135.2 Ų135.293%0.9374%0.742SS**  trans-59.797170.3-67.7176.7145.400109.9
871K30.6Very low29.2Very low175 Ų175137.9 Ų137.976%0.76175%0.751SS**  trans-93.496.1158.8-83-168.7169.3-169.50107.3R869 P873R869-K871 PolarHBondContact O-N 3Å; K871-P873 WeakPolarHBondContact O-CD 3.32Å
872L29.9Very low29.4Very low135 Ų135135.2 Ų135.271%0.70775%0.746SS**  trans-63.1124157.5-79.1165.2000107.9Y874L872-Y874 VanDerWaalsContact C-N 3.27Å; L872-Y874 PolarHBondContact O-N 3.08Å
873P31Very low29.3Very low85 Ų85139.1 Ų139.155%0.55275%0.749SS**  trans-78.777-17932.3-34.6000110.4K871 H875K871-P873 WeakPolarHBondContact O-CD 3.32Å; P873-H875 PolarHBondContact O-N 3.09Å; P873-H875 PolarHBondContact O-ND1 3.5Å
874Y31.6Very low29.8Very low181 Ų181140 Ų14071%0.7175%0.752SS**  trans-64.795.7172.5-127.8-85.4000109.4L872 G876L872-Y874 VanDerWaalsContact C-N 3.27Å; L872-Y874 PolarHBondContact O-N 3.08Å; Y874-G876 PolarHBondContact O-N 2.99Å
875H28.4Very low30.1Very low153 Ų153143 Ų14371%0.70876%0.76SS**  trans-76.360.3170.9-86.579.3000110.8P873 V877P873-H875 PolarHBondContact O-N 3.09Å; P873-H875 PolarHBondContact O-ND1 3.5Å; H875-V877 VanDerWaalsContact C-N 3.31Å; H875-V877 PolarHBondContact O-N 3.26Å
876G28.3Very low30Very low50 Ų50138.5 Ų138.552%0.51575%0.752SS.*  trans-71.989.9160.900000108.5Y874 F878Y874-G876 PolarHBondContact O-N 2.99Å; G876-F878 VanDerWaalsContact C-N 3.34Å; G876-F878 PolarHBondContact O-N 3.05Å
877V27.3Very low30Very low106 Ų106143.5 Ų143.564%0.64276%0.762SS**  trans-71.791.7178.7-177.10000109.2H875 V879H875-V877 VanDerWaalsContact C-N 3.31Å; H875-V877 PolarHBondContact O-N 3.26Å; V877-V879 HydrophobicContact CG1-CG2 3.88Å; V877-V879 PolarHBondContact O-N 2.83Å
878F26.8Very low30.1Very low179 Ų179143.2 Ų143.279%0.78576%0.761SS**  trans-63.697.2159.4-86-92.8000108.5G876 G880G876-F878 VanDerWaalsContact C-N 3.34Å; G876-F878 PolarHBondContact O-N 3.05Å; F878-G880 PolarHBondContact O-N 3.02Å
879V28.7Very low30.1Very low121 Ų121143.4 Ų143.473%0.73376%0.756SS**  trans-74.773160.4-172.30000107.5V877V877-V879 HydrophobicContact CG1-CG2 3.88Å; V877-V879 PolarHBondContact O-N 2.83Å
880G25.7Very low30.1Very low63 Ų63141.4 Ų141.465%0.64976%0.759SS**  trans-108.862.9-178.600000111.4F878F878-G880 PolarHBondContact O-N 3.02Å
881D30.3Very low30.3Very low167 Ų167136.7 Ų136.789%0.89375%0.746SS**  trans-139145.8175.6-105.2-46.5000110.9
882G31.5Very low30.4Very low67 Ų67137 Ų13769%0.69175%0.75SS**  trans119.439.3177.200000116.7P884G882-P884 VanDerWaalsContact O-CD 3.25Å; G882-P884 WeakPolarHBondContact O-CD 3.31Å
883W28.4Very low30.7Very low257 Ų257135 Ų13597%0.97375%0.746SS**  trans-76.8112.6162.6-130.241.6000109.2N885W883-N885 PolarHBondContact O-N 2.76Å
884P39.9Very low30.8Very low120 Ų120141 Ų14178%0.77976%0.763SS**PPolyproline II helixtrans-76.5117.8-178.8-12.830.5000109.9G882 G886G882-P884 VanDerWaalsContact O-CD 3.25Å; G882-P884 WeakPolarHBondContact O-CD 3.31Å; P884-G886 PolarHBondContact O-N 3.31Å
885N34.9Very low30.8Very low167 Ų167138.2 Ų138.289%0.89377%0.765SS**PPolyproline II helixtrans-53.3127.8176-100.2-67000111.5W883 K887W883-N885 PolarHBondContact O-N 2.76Å; N885-K887 PolarHBondContact O-N 3.35Å
886G29.4Very low31Very low70 Ų70138 Ų13872%0.72277%0.769SS**PPolyproline II helixtrans-70.1126.8-173.100000113.5P884P884-G886 PolarHBondContact O-N 3.31Å
887K29.5Very low31.2Very low201 Ų201142.8 Ų142.887%0.87478%0.783SS**  trans-167.290.1159.6-110.1161-171.1172.50112.8N885N885-K887 PolarHBondContact O-N 3.35Å
888K30.3Very low31.5Very low194 Ų194142.3 Ų142.384%0.84378%0.784SS**  176.3130.3115.5-95.6175-178.7-177.20110.9
889V28.1Very low31.8Very low131 Ų131140.1 Ų140.179%0.79478%0.781SS**  trans-90.6131.1162.21750000106.7
890D31.1Very low31.9Very low148 Ų148142.3 Ų142.379%0.79178%0.781SS**  trans-117.3126162.8-84.1-52000108.5
891P34.7Very low32.1Very low100 Ų100149.3 Ų149.365%0.64979%0.789SS**  trans-99.8143.9-165.836.1-35.3000115.6
892E31.8Very low32.1Very low181 Ų181146.9 Ų146.985%0.84678%0.78SS**  trans62.8-176.4141.1-68.1-154.5145.500118.7
893P36.9Very low32.1Very low95 Ų95148.7 Ų148.762%0.61778%0.782SS**  -132157.3-66.737.3-24.5000112.6
894K33.2Very low32.2Very low211 Ų211143.9 Ų143.992%0.91777%0.768SS**  trans-141.6120.2148.4-69.7-156.2178.3-151.50113.4
895T31Very low31.9Very low121 Ų121146.8 Ų146.874%0.74277%0.771SS**  trans-70151.3173.952.30000112.6
896N33.8Very low31.6Very low148 Ų148144.8 Ų144.879%0.79176%0.76SS**  -167149118.5-98.60.5000112.7
897N31.9Very low31.6Very low151 Ų151150.2 Ų150.281%0.80777%0.766SS**  trans-47.2162.3177.5-46.7-21.9000113.9
898S34.2Very low31.8Very low97 Ų97145.7 Ų145.768%0.67877%0.766SS**  cis-163149.128.761.10000116.5
899N32.4Very low31.8Very low133 Ų133140.9 Ų140.971%0.71176%0.763SS**  trans72.7117.5132.7-71.79000123.8
900F30.4Very low32Very low166 Ų166140.9 Ų140.973%0.72876%0.758SS**  trans66147.9147.4-70.9-113.2000117.5
901Y30.6Very low32.1Very low211 Ų211141.6 Ų141.683%0.82775%0.754SS**  cis-128.117815.5-118.3-86.4000113.5
902V30Very low32Very low116 Ų116142.4 Ų142.470%0.70376%0.762SS**  trans-117.3137.5-173.8175.50000110.4
903S31.6Very low32.1Very low104 Ų104142.2 Ų142.273%0.72776%0.761SS**  -178164.296.7-132.80000110.1
904K31.3Very low31.9Very low157 Ų157145.5 Ų145.568%0.68377%0.773SS**  cis77.5138.918-68.7-176.9174.8179.70116.3
905H32.2Very low31.8Very low181 Ų181140.1 Ų140.184%0.83876%0.762SS**  cis-155.6170.6-4.5-125.5-27.7000113.8
906N28.9Very low32Very low124 Ų124138.8 Ų138.866%0.66376%0.757SS**  trans-62.3159.8-177.3-63.8-24.4000119.3
907H29.9Very low31.8Very low185 Ų185138.6 Ų138.686%0.85676%0.756SS**  trans44.6130.2138.4-71.8-63.6000123.2
908A32.7Very low31.8Very low105 Ų105139.6 Ų139.687%0.86876%0.761SS**  trans-148.4165.1140.300000110.4
909A31.1Very low31.6Very low94 Ų94139.2 Ų139.278%0.77776%0.763SS**  trans-156.9151.1177.100000112.4
910D33.5Very low31.5Very low131 Ų131142.1 Ų142.170%0.70177%0.77SS**  trans-179.7169.1164.9-109.222.7000108.7
911K31.5Very low31.7Very low162 Ų162141.5 Ų141.570%0.70477%0.769SS**  cis-176.9127.8-33.9-112.2-168.5-152.682.30105.3
912S34.2Very low31.9Very low117 Ų117137.5 Ų137.582%0.81876%0.762SS**  trans-165.6127.5152.144.50000107.3
913Q32.9Very low31.8Very low178 Ų178137.4 Ų137.483%0.83276%0.762SS**  cis87.3131.241.7-74.2-136.47.900115.1
914L31.8Very low31.9Very low164 Ų164141.2 Ų141.286%0.85977%0.768SS**  trans116.7100.8-178.7-68.1161.4000110.5
915S32.7Very low31.8Very low97 Ų97144.3 Ų144.368%0.67878%0.775SS**  72.8138.562.976.90000114.5
916S33.7Very low31.6Very low93 Ų93146.6 Ų146.665%0.6578%0.778SS**  cis-174.8163.1-13.351.10000110.6
917N31Very low31.6Very low144 Ų144149.6 Ų149.677%0.7779%0.785SS**  trans59.8122.5155-57.2-18.8000121.5
918L30.5Very low31.6Very low172 Ų172144.9 Ų144.990%0.90177%0.774SS**  -167.3156.5109-124.988000110.9
919A30.5Very low31.5Very low89 Ų89147.8 Ų147.874%0.73677%0.769SS**  trans-156.8148.1176.500000111.7
920F31.5Very low31.4Very low194 Ų194147.4 Ų147.485%0.85176%0.761SS**  trans-153.4162.3170.4-111.8-80.9000114.5
921H34.7Very low31.3Very low154 Ų154147.2 Ų147.271%0.71377%0.765SS**  trans-61.2175.7-179.2-75-100.8000115.6
922N33.1Very low31.2Very low127 Ų127143.6 Ų143.668%0.67976%0.759SS**  cis-156.5142.310.5-133.1-11.7000114.4
923T29.8Very low31Very low113 Ų113144.8 Ų144.869%0.69376%0.757SS**  trans18.5121.9130.8-45.30000121.2
924Q33.1Very low30.8Very low184 Ų184144.9 Ų144.986%0.8676%0.755SS**  -164.9167.2114-106.4-163.453.700115
925R28.2Very low30.7Very low222 Ų222145 Ų14584%0.83876%0.756SS**  trans-87.9157.4-166.4-57.7160.2172.7159-4.3112.2
926Y28.8Very low30.5Very low230 Ų230146 Ų14690%0.90276%0.763SS**  -153.8156.5115.8-111.8-76.9000111.9
927K28.7Very low30.3Very low186 Ų186147.2 Ų147.281%0.80977%0.771SS**  trans-88.8153169.6-69.7-175.4-174.5-1770108.1
928S29.6Very low30.3Very low87 Ų87147.2 Ų147.261%0.60877%0.767SS**  cis-158.3-143.11.5360000108
929E30.8Very low30.4Very low165 Ų165150 Ų15077%0.77177%0.766SS**  cis-153.8-147.27-156.360.8-83.200110.6
930S28.5Very low30.5Very low86 Ų86153 Ų15360%0.60177%0.774SS**  trans-129150.8-157.861.50000114.7
931T31.5Very low30.6Very low128 Ų128147.4 Ų147.479%0.78576%0.759SS**  -167166.5121.6120000113.4
932S29.1Very low30.5Very low85 Ų85145 Ų14559%0.59476%0.755SS**  trans-50.7166.317951.50000116.4
933N30.1Very low30.6Very low142 Ų142147.1 Ų147.176%0.75977%0.766SS**  cis-149170.926.4-147-9.4000115.9
934K29.7Very low30.9Very low181 Ų181145.7 Ų145.779%0.78777%0.765SS**  trans-64.2139.4-172.3-58.4157.8-177.6177.80114
935N29.7Very low30.9Very low165 Ų165146 Ų14688%0.88276%0.764SS**  trans17579.6137.3-92.4-8.9000110.7
936S28.9Very low31.1Very low120 Ų120143.2 Ų143.284%0.83977%0.765SS**  trans-163.373.4-177.963.70000115.7
937S28.6Very low31.3Very low117 Ų117139.3 Ų139.382%0.81876%0.76SS**SBendtrans-165.656.2167.759.50000115
938E30.9Very low32Very low144 Ų144138.5 Ų138.567%0.67376%0.759SS**  trans-153.1-13.4176.3-135.6155.6-132.900116.9V940 S941 T942E938-V940 VanDerWaalsContact C-N 3.27Å; E938-V940 PolarHBondContact O-N 3.04Å; E938-V940 VanDerWaalsContact O-N 3.15Å; E938-S941 PolarHBondContact O-OG 3.29Å; E938-T942 PolarHBondContact O-OG1 3Å
939W31.9Very low32.4Very low232 Ų232140.3 Ų140.388%0.87977%0.768SS**THydrogen-bonded Turntrans-84.920.2-172.4-8179.2000115.9
940V32.6Very low33.1Very low152 Ų152139.6 Ų139.692%0.92177%0.765SS**THydrogen-bonded Turntrans-129-1180-171.70000112.2E938E938-V940 VanDerWaalsContact C-N 3.27Å; E938-V940 PolarHBondContact O-N 3.04Å; E938-V940 VanDerWaalsContact O-N 3.15Å
941S33.5Very low33.8Very low76 Ų76142.5 Ų142.553%0.53177%0.767SS.*THydrogen-bonded Turntrans-113.1-15.2-178.139.90000114.8E938E938-S941 PolarHBondContact O-OG 3.29Å
942T34Very low34.4Very low103 Ų103144.4 Ų144.463%0.63277%0.767SS**G310 helixtrans-88.3-20.5-166.9-38.70000114.2E938 A944E938-T942 PolarHBondContact O-OG1 3Å; T942-A944 PolarHBondContact O-N 2.65Å
943L34.7Very low35.2Very low171 Ų171143.5 Ų143.590%0.89577%0.765SS**G310 helixtrans-81.619.2175.6-78.1167.5000113.8
944A36.4Very low35.8Very low83 Ų83143.6 Ų143.669%0.68676%0.761SS**G310 helixtrans-122.18.8-174.400000114.3T942T942-A944 PolarHBondContact O-N 2.65Å
945K33.7Very low36.5Very low191 Ų191138.9 Ų138.983%0.8374%0.742SS**  trans-14663.2-179.5-67.2-169.7178.3-176.10112.7
946L32.3Very low37.1Very low163 Ų163134.5 Ų134.585%0.85373%0.725SS**  trans-100.567.8168.9-83.2168.2000110.3
947D33.2Very low37.7Very low149 Ų149136.5 Ų136.580%0.79772%0.721SS**  trans-165.780.9167.6-163.95.4000111.5
948Q42.2Very low38.2Very low168 Ų168138.7 Ų138.779%0.78572%0.716SS**  trans-173.6144.4156.1-110.11634800113.9Q950Q948-Q950 PolarHBondContact O-N 3.33Å
949P37.8Very low38.7Very low125 Ų125139.1 Ų139.181%0.81272%0.716SS**THydrogen-bonded Turntrans-91.976.4-169.936.8-35.9000113.4
950Q45.3Very low39Very low150 Ų150135.1 Ų135.170%0.70171%0.712SS**THydrogen-bonded Turntrans-129.6-8.2170.1-69.8-169.1-51.300114.7Q948 E952 A953Q948-Q950 PolarHBondContact O-N 3.33Å; Q950-E952 VanDerWaalsContact C-N 3.33Å; Q950-E952 PolarHBondContact O-N 3.32Å; Q950-A953 PolarHBondContact O-N 2.64Å
951F43.4Very low39.1Very low148 Ų148130.2 Ų130.265%0.64969%0.692SS**Hα-helixtrans-63.1-32.8-174-171.8-111.7000114.2A953 E954 M955F951-A953 VanDerWaalsContact C-N 3.32Å; F951-A953 PolarHBondContact O-N 2.82Å; F951-E954 PolarHBondContact O-N 2.75Å; F951-M955 HydrophobicContact CD1-CG 4.08Å; F951-M955 HydrophobicContact CE1-CG 3.69Å; F951-M955 HydrophobicContact CE1-SD 4.31Å; F951-M955 HydrophobicContact CE2-CG 4.42Å; F951-M955 HydrophobicContact CZ-CG 3.88Å; F951-M955 HydrophobicContact CZ-SD 4.18Å; F951-M955 WeakPolarHBondContact O-CB 3.33Å; F951-M955 PolarHBondContact O-N 2.84Å
952E44.2Very low39Very low167 Ų167135.5 Ų135.578%0.7871%0.708SS**Hα-helixtrans-64.2-34.9179.4-61.7-178.7139.300112.6Q950 S956Q950-E952 VanDerWaalsContact C-N 3.33Å; Q950-E952 PolarHBondContact O-N 3.32Å; E952-S956 PolarHBondContact O-N 3.46Å; E952-S956 VanDerWaalsContact O-N 3.15Å; E952-S956 PolarHBondContact O-OG 3.09Å
953A45.4Very low38.9Very low67 Ų67135.9 Ų135.955%0.55471%0.714SS**Hα-helixtrans-72.2-37.2-179.100000112.7Q950 F951 Q957Q950-A953 PolarHBondContact O-N 2.64Å; F951-A953 VanDerWaalsContact C-N 3.32Å; F951-A953 PolarHBondContact O-N 2.82Å; A953-Q957 PolarHBondContact O-N 2.65Å
954E44.2Very low38.7Very low143 Ų143134.1 Ų134.167%0.66871%0.711SS**Hα-helixtrans-75.2-33.4175.8-64-170.4147.900111.7F951 Q957 F958F951-E954 PolarHBondContact O-N 2.75Å; E954-Q957 PolarHBondContact O-N 3.41Å; E954-F958 PolarHBondContact O-N 3.48Å; E954-F958 VanDerWaalsContact O-N 3.14Å
955M42.8Very low38.4Very low82 Ų82136.5 Ų136.540%0.40472%0.717SS.*Hα-helixtrans-60.9-47.8172.4-86.7-74-66.900112.4F951 Q957 F958 F959F951-M955 HydrophobicContact CD1-CG 4.08Å; F951-M955 HydrophobicContact CE1-CG 3.69Å; F951-M955 HydrophobicContact CE1-SD 4.31Å; F951-M955 HydrophobicContact CE2-CG 4.42Å; F951-M955 HydrophobicContact CZ-CG 3.88Å; F951-M955 HydrophobicContact CZ-SD 4.18Å; F951-M955 WeakPolarHBondContact O-CB 3.33Å; F951-M955 PolarHBondContact O-N 2.84Å; M955-Q957 VanDerWaalsContact C-N 3.33Å; M955-Q957 PolarHBondContact O-N 3.16Å; M955-F958 WeakPolarHBondContact O-CB 3.12Å; M955-F958 PolarHBondContact O-N 2.82Å; M955-F958 VanDerWaalsContact O-N 3.09Å; M955-F959 HydrophobicContact CE-CD2 4.26Å; M955-F959 HydrophobicContact CE-CE2 3.68Å; M955-F959 WeakPolarHBondContact O-CD2 3.18Å; M955-F959 PolarHBondContact O-N 3.32Å; M955-F959 HydrophobicContact SD-CE2 4.27Å
956S42.2Very low38.3Very low73 Ų73134.2 Ų134.251%0.5172%0.719SS.*Hα-helixtrans-59.9-42177.2-670000112.5E952 F958 F959 D960E952-S956 PolarHBondContact O-N 3.46Å; E952-S956 VanDerWaalsContact O-N 3.15Å; E952-S956 PolarHBondContact O-OG 3.09Å; S956-F958 PolarHBondContact O-N 3.06Å; S956-F959 PolarHBondContact O-N 3.29Å; S956-D960 PolarHBondContact O-N 3.29Å
957Q42.9Very low38.1Very low162 Ų162137.7 Ų137.776%0.75772%0.721SS**Hα-helixtrans-66.7-21.8177-69.8-170.44.900113.8A953 E954 M955A953-Q957 PolarHBondContact O-N 2.65Å; E954-Q957 PolarHBondContact O-N 3.41Å; M955-Q957 VanDerWaalsContact C-N 3.33Å; M955-Q957 PolarHBondContact O-N 3.16Å
958F38.5Very low37.9Very low163 Ų163136.3 Ų136.372%0.71572%0.718SS**Hα-helixtrans-76.7-34.2174.2-168.4-98000112.6E954 M955 S956E954-F958 PolarHBondContact O-N 3.48Å; E954-F958 VanDerWaalsContact O-N 3.14Å; M955-F958 WeakPolarHBondContact O-CB 3.12Å; M955-F958 PolarHBondContact O-N 2.82Å; M955-F958 VanDerWaalsContact O-N 3.09Å; S956-F958 PolarHBondContact O-N 3.06Å
959F40.9Very low37.3Very low154 Ų154137.6 Ų137.668%0.67572%0.724SS**Hα-helixtrans-86.9-31.4-178.2-80.9-89.4000114M955 S956 G961M955-F959 HydrophobicContact CE-CD2 4.26Å; M955-F959 HydrophobicContact CE-CE2 3.68Å; M955-F959 WeakPolarHBondContact O-CD2 3.18Å; M955-F959 PolarHBondContact O-N 3.32Å; M955-F959 HydrophobicContact SD-CE2 4.27Å; S956-F959 PolarHBondContact O-N 3.29Å; F959-G961 PolarHBondContact O-N 3.41Å
960D39.9Very low37Very low148 Ų148139.6 Ų139.679%0.79172%0.722SS**THydrogen-bonded Turntrans-74.62176.7-78.3-31.2000114.4S956S956-D960 PolarHBondContact O-N 3.29Å
961G33.1Very low36.1Very low48 Ų48138.7 Ų138.750%0.49572%0.719SS.*THydrogen-bonded Turntrans-85-13.5-162.200000118.6F959F959-G961 PolarHBondContact O-N 3.41Å
962H32.9Very low35.5Very low188 Ų188135.4 Ų135.487%0.8771%0.711SS**SBendtrans-140.661.2-164.9-79.683.8000115.7
963S30.3Very low34.7Very low110 Ų110132 Ų13277%0.76970%0.702SS**  trans-159.5106.5159.7-171.60000114.2
964T31.9Very low34Very low134 Ų134133.5 Ų133.582%0.82271%0.708SS**  trans176.9160.514419.30000112.5
965T30.1Very low33.2Very low134 Ų134136.1 Ų136.182%0.82272%0.718SS**  trans76.6124.4-174.9-30.70000110.8
966V30.4Very low32.4Very low143 Ų143137.6 Ų137.687%0.86774%0.735SS**  cis-119.3169.141.1179.90000113.5
967R29.6Very low31.7Very low236 Ų236140 Ų14089%0.89175%0.747SS**  trans-93.1161.8-177-88.9179.3164.2143.3-7.1114.5
968T28.1Very low31.1Very low120 Ų120137.7 Ų137.774%0.73675%0.748SS**  trans-73.8152.4169.144.30000114.9
969E30.2Very low30.8Very low194 Ų194139.5 Ų139.591%0.90776%0.756SS**  trans-164.5-179.8130.8-105.5158.8-143.700110.4
970H29.7Very low30.3Very low168 Ų168137.1 Ų137.178%0.77876%0.758SS**  trans-135.3163.1-153.7-92.2-84.3000116
971M28.2Very low29.9Very low130 Ų130134.7 Ų134.764%0.6475%0.753SS**  trans110.5163.9152.8-56.3-16570.900118.5
972T29.4Very low29.8Very low79 Ų79141.2 Ų141.249%0.48577%0.77SS.*  -158.9132.6-65.542.70000114.6D854D854-T972 WeakPolarHBondContact OD2-CA 3.37Å
973T28Very low29.6Very low95 Ų95140.8 Ų140.858%0.58377%0.769SS**  trans66.2119.5142.860.20000122.3D854 F855D854-T973 PolarHBondContact OD2-N 2.99Å; F855-T973 HydrophobicContact CZ-CG2 4.1Å
974S30.5Very low29.5Very low99 Ų99141.5 Ų141.569%0.69277%0.771SS**  -171.2168.8128.750.30000114
975K27.4Very low29.4Very low199 Ų199141.4 Ų141.487%0.86577%0.77SS**  trans-107.9153.4-159.5-56.1162176.7171.20113.9
976C26Very low29.2Very low113 Ų113141.7 Ų141.776%0.76477%0.771SS**  175.7104.8112.5-104.30000118.1
977T26.8Very low29.2Very low124 Ų124139.6 Ų139.676%0.76176%0.763SS**  39.6122.9128.358.50000123.4
978S31.1Very low29.1Very low112 Ų112137.4 Ų137.478%0.78376%0.762SS**  179.7141.2107.248.10000116.3
979K31.5Very low29.2Very low202 Ų202136.3 Ų136.388%0.87876%0.76SS**  trans30.5141.5142.7-60.8179-177179.50121.1
980S31.4Very low29.2Very low103 Ų103134.3 Ų134.372%0.7276%0.756SS**  cis-174.1175.71.147.40000113.8
981S31.4Very low29.2Very low97 Ų97135 Ų13568%0.67876%0.759SS**  trans81.5102.4152.764.90000123.5
982Q30.3Very low29.4Very low185 Ų185135.8 Ų135.886%0.86477%0.765SS**  59.5104.9122.2-64.6176.4-20.600121.4
983Q29.7Very low29.3Very low180 Ų180137.2 Ų137.284%0.84178%0.779SS**  177.4143.190-94.8-169.5-3700110.8
984P28.2Very low29.3Very low124 Ų124142.6 Ų142.681%0.80579%0.789SS**  trans-89.6131.8173.934.1-30.8000111.9
985V30Very low29.3Very low132 Ų132145.5 Ų145.580%0.879%0.792SS**  trans-108125.1165.8176.30000108.2S987V985-S987 PolarHBondContact O-N 3.05Å
986V26Very low29.2Very low140 Ų140138.8 Ų138.885%0.84878%0.779SS**  trans-80.4114.5174.41790000108.6
987S30Very low29.2Very low100 Ų100139.6 Ų139.670%0.69978%0.775SS**  trans-116.2118.1170.358.30000109.5V985 S989V985-S987 PolarHBondContact O-N 3.05Å; S987-S989 PolarHBondContact O-N 3.22Å; S987-S989 VanDerWaalsContact O-N 3.16Å
988Q27.5Very low29.2Very low189 Ų189143.5 Ų143.588%0.88378%0.782SS**  trans-64.5112.9174-70.1168.8-47.900109.7N990Q988-N990 PolarHBondContact O-N 3.04Å
989S30.1Very low29Very low98 Ų98142.9 Ų142.969%0.68577%0.773SS**  trans-81106.6169.849.90000109.4S987 E991S987-S989 PolarHBondContact O-N 3.22Å; S987-S989 VanDerWaalsContact O-N 3.16Å; S989-E991 PolarHBondContact O-N 3.44Å
990N29.7Very low28.8Very low152 Ų152136.9 Ų136.981%0.81377%0.769SS**  trans-62103.8162.8-75.3-23000108Q988Q988-N990 PolarHBondContact O-N 3.04Å
991E30.3Very low28.5Very low181 Ų181140.7 Ų140.785%0.84678%0.775SS**  trans-66.4137.6174.9-67.8-155.2129.200110.2S989S989-E991 PolarHBondContact O-N 3.44Å
992L32Very low28.4Very low147 Ų147139.1 Ų139.177%0.7777%0.774SS**  trans-72.2146.2-172.7-70.587.4000110.6Y994L992-Y994 PolarHBondContact O-N 2.71Å
993S27.5Very low28.3Very low110 Ų110142 Ų14277%0.76978%0.778SS**  trans-6480.6162.758.40000110.3H995S993-H995 PolarHBondContact O-N 3.09Å
994Y27.2Very low28.5Very low207 Ų207139.1 Ų139.181%0.81277%0.774SS**  trans-65121.1168.7-115.2-92.1000108.3L992 G996L992-Y994 PolarHBondContact O-N 2.71Å; Y994-G996 VanDerWaalsContact C-N 3.27Å; Y994-G996 PolarHBondContact O-N 2.86Å
995H30.8Very low28.3Very low161 Ų161138.4 Ų138.475%0.74577%0.772SS**  trans-67.195.2162.6-93.1-60.4000107.7S993 L997S993-H995 PolarHBondContact O-N 3.09Å; H995-L997 PolarHBondContact O-N 3.35Å
996G26.4Very low28.3Very low58 Ų58138.5 Ų138.560%0.59877%0.768SS**  trans-65.473.4174.600000111.5Y994 F998Y994-G996 VanDerWaalsContact C-N 3.27Å; Y994-G996 PolarHBondContact O-N 2.86Å; G996-F998 PolarHBondContact O-N 3.43Å
997L24.9Very low28.5Very low130 Ų130140.8 Ų140.868%0.68177%0.766SS**  trans-71.183.4169.6-128.9161.4000107H995 V999H995-L997 PolarHBondContact O-N 3.35Å; L997-V999 HydrophobicContact CD2-CG2 3.67Å; L997-V999 PolarHBondContact O-N 3.45Å
998F26.4Very low28.4Very low205 Ų205142.1 Ų142.190%0.89977%0.772SS**  trans-68.372172.3-88-78.1000110.1G996 G1000G996-F998 PolarHBondContact O-N 3.43Å; F998-G1000 PolarHBondContact O-N 3.37Å; F998-G1000 VanDerWaalsContact O-N 3.11Å
999V27.1Very low28.8Very low99 Ų99140.9 Ų140.960%0.677%0.772SS**  trans-69.2100.4158.8-176.40000106.2L997 E1001L997-V999 HydrophobicContact CD2-CG2 3.67Å; L997-V999 PolarHBondContact O-N 3.45Å; V999-E1001 HydrophobicContact CG1-CG 4.04Å; V999-E1001 PolarHBondContact O-N 3.35Å
1000G27.6Very low28.9Very low76 Ų76145.2 Ų145.278%0.78478%0.778SS**  trans-68.881.8169.400000110.3F998 G1002F998-G1000 PolarHBondContact O-N 3.37Å; F998-G1000 VanDerWaalsContact O-N 3.11Å; G1000-G1002 PolarHBondContact O-N 2.84Å
1001E26.1Very low29.1Very low183 Ų183148 Ų14886%0.85578%0.783SS**  trans-63120169.5-66-167.4157.100109.3V999V999-E1001 HydrophobicContact CG1-CG 4.04Å; V999-E1001 PolarHBondContact O-N 3.35Å
1002G29.4Very low29Very low64 Ų64143 Ų14366%0.6678%0.78SS**  trans-175.428.4-167.800000116.4G1000 P1004G1000-G1002 PolarHBondContact O-N 2.84Å; G1002-P1004 WeakPolarHBondContact O-CD 3.48Å
1003W27.7Very low28.9Very low247 Ų247145.5 Ų145.594%0.93679%0.788SS**  trans-89.2114.3171.2-82.875.6000110.6S1005W1003-S1005 PolarHBondContact O-N 2.91Å
1004P32.7Very low28.8Very low119 Ų119147 Ų14777%0.77379%0.786SS**  trans-76.1111.4177.3-13.230.2000110.8G1002 L1006G1002-P1004 WeakPolarHBondContact O-CD 3.48Å; P1004-L1006 PolarHBondContact O-N 2.81Å
1005S26Very low29Very low109 Ų109145.1 Ų145.176%0.76279%0.788SS**  trans-68105.5176.1-39.80000111.1W1003 K1007W1003-S1005 PolarHBondContact O-N 2.91Å; S1005-K1007 PolarHBondContact O-N 3.19Å
1006L28Very low28.8Very low134 Ų134146 Ų14670%0.70279%0.792SS**  trans-63101.1176.6-79.5164.8000111.6P1004P1004-L1006 PolarHBondContact O-N 2.81Å
1007K30.4Very low28.9Very low187 Ų187149.1 Ų149.181%0.81380%0.804SS**PPolyproline II helixtrans-79130.5171.7-71.7176.6-179.11690110.1S1005 N1009S1005-K1007 PolarHBondContact O-N 3.19Å; K1007-N1009 PolarHBondContact O-N 3.03Å
1008P28.9Very low29Very low128 Ų128148.9 Ų148.983%0.83181%0.814SS**PPolyproline II helixtrans-73.1120-178.829.1-34.3000110.8
1009N36Very low29.1Very low163 Ų163142.4 Ų142.487%0.87281%0.805SS**PPolyproline II helixtrans-91.4143175.7-157-5.8000111.4K1007K1007-N1009 PolarHBondContact O-N 3.03Å
1010K31.4Very low29.3Very low189 Ų189147.3 Ų147.382%0.82282%0.818SS**  trans-103.2110.6-172.9-69.9177.8179.1174.80111.7
1011K34.5Very low29.3Very low212 Ų212148.9 Ų148.992%0.92282%0.817SS**  trans-175.5122.3151.2-100.1157-175.1-174.80107.1
1012G27.8Very low29.6Very low76 Ų76148.7 Ų148.778%0.78482%0.816SS**  cis118.457.6-1.800000113.3
1013E30.3Very low29.7Very low199 Ų199151.9 Ų151.993%0.9382%0.823SS**  trans-148.7153.6159.2-126.3159.8-140.600109.7
1014I26Very low29.8Very low141 Ų141151.6 Ų151.672%0.72382%0.822SS**  trans-132.2121.6-165-60.1167.3000109.5
1015I30.2Very low29.7Very low168 Ų168153.1 Ų153.186%0.86282%0.823SS**  trans-135.2117.4158.9-59.1-176.5000109.1
1016H26.5Very low30Very low180 Ų180155.1 Ų155.183%0.83382%0.824SS**  trans-83.5138.4167.5-81.1-99.2000110.6
1017S30.1Very low30Very low122 Ų122155.9 Ų155.985%0.85382%0.824SS**  trans-148.1119.5149.459.40000111.4
1018S26.2Very low30Very low125 Ų125154 Ų15487%0.87482%0.822SS**  trans-90146.7-178.655.70000112.3
1019G29.2Very low30Very low70 Ų70156.5 Ų156.572%0.72282%0.823SS**  trans-17278173.700000119.8
1020K31.1Very low29.6Very low202 Ų202156 Ų15688%0.87881%0.813SS**  trans65.8128.2148.7-61.6174.5-175.5177.60116.7
1021S26.7Very low29.6Very low108 Ų108154.6 Ų154.676%0.75581%0.812SS**  61.7127.679.8-152.10000111.9
1022E32.7Very low29.3Very low180 Ų180155.3 Ų155.384%0.84181%0.81SS**  cis-138.4164.241.2-60.6-177.5126.900116.2
1023T30.3Very low29.4Very low130 Ų130161.2 Ų161.280%0.79882%0.817SS**  trans-87.2149.2174.851.40000113.6
1024R31.9Very low29.3Very low242 Ų242155.8 Ų155.891%0.91380%0.801SS**  trans-152.9110.6145.5-116.1170.1-171.3137.65.2112.7
1025N28.7Very low29.7Very low150 Ų150158 Ų15880%0.80281%0.808SS**  trans-76.9156.8161.6-69-32.6000110
1026I33.1Very low29.7Very low152 Ų152159.4 Ų159.478%0.77981%0.808SS**  177.1137.2119.5-92.1157.9000110.6
1027E28Very low30Very low149 Ų149157.2 Ų157.270%0.69680%0.802SS**  trans24.3133.2161.6-63.1179.1104.500121.7
1028L31.1Very low30.2Very low148 Ų148160.7 Ų160.778%0.77580%0.802SS**  -158.569.1114.8-111.2171.4000114K1030L1028-K1030 VanDerWaalsContact C-N 3.33Å; L1028-K1030 HydrophobicContact CD2-CB 4.5Å; L1028-K1030 PolarHBondContact O-N 3.39Å; L1028-K1030 VanDerWaalsContact O-N 3.09Å
1029E28.5Very low30.6Very low181 Ų181159.9 Ų159.985%0.84679%0.794SS**  trans-74.287.1156-84.2-161.7123.900109.9
1030K27.1Very low30.7Very low152 Ų152163.5 Ų163.566%0.66180%0.797SS**  trans-175.3144.8156.4-92.2127.5-152.9150.60109.1L1028L1028-K1030 VanDerWaalsContact C-N 3.33Å; L1028-K1030 HydrophobicContact CD2-CB 4.5Å; L1028-K1030 PolarHBondContact O-N 3.39Å; L1028-K1030 VanDerWaalsContact O-N 3.09Å
1031I31Very low30.6Very low159 Ų159162.1 Ų162.182%0.81579%0.791SS**  trans70.4115.7-171.2-45.7155.2000108.8
1032W29.5Very low30.7Very low228 Ų228164.6 Ų164.686%0.86479%0.791SS**  cis-143.1102.437-149.4-2.4000111.5
1033Q28.6Very low30.6Very low200 Ų200164.5 Ų164.594%0.93579%0.794SS**  trans-128.895.6165.4-88-164.3-13.700109.5
1034S29.6Very low30.5Very low85 Ų85163.2 Ų163.259%0.59480%0.796SS**  trans-167.7157.4169.252.90000109.8
1035E34.9Very low30.3Very low188 Ų188154.9 Ų154.988%0.87979%0.786SS**  trans75.955.7170.8-49.4-164.8148.800116.7
1036K30.2Very low30.2Very low196 Ų196157.5 Ų157.585%0.85279%0.79SS**  -78.1161.2128-75.4-172.6175.3-177.80109.7
1037D32.7Very low30.1Very low134 Ų134156 Ų15672%0.71779%0.788SS**  trans71.678.3168.2-54.5-16.2000119.7
1038K32.9Very low30.2Very low196 Ų196155 Ų15585%0.85279%0.788SS**  -167.4158.2118.3-103156.3-144.571.70114.9
1039P35.8Very low30.1Very low108 Ų108155.9 Ų155.970%0.70179%0.788SS**  trans-103.8-168.1-175.342.8-36.6000113.6
1040N31.1Very low30.1Very low146 Ų146153.6 Ų153.678%0.78179%0.791SS**  trans84.6118.3-176.1-67.3-6.6000113.4
1041K28.7Very low30.2Very low173 Ų173151.9 Ų151.975%0.75279%0.789SS**  87.2134.564.2-104-164.7171.1-155.90111.9
1042E27.9Very low30.1Very low160 Ų160156 Ų15675%0.74879%0.794SS**  trans59.2100.2166-69.6161.2-141.500117.1
1043I31.3Very low30Very low178 Ų178147.9 Ų147.991%0.91377%0.772SS**  -149.1131.7121.6-95.6148.1000106.7
1044A28.2Very low29.9Very low103 Ų103143.5 Ų143.585%0.85176%0.764SS**  trans-115.8146.3174.300000110.1
1045G27.4Very low29.8Very low67 Ų67145 Ų14569%0.69177%0.769SS**  trans118.9110.8160.100000116.4
1046K27.3Very low29.5Very low204 Ų204145.3 Ų145.389%0.88777%0.768SS**  trans60.3118.8153.1-49.2-180179.7-176.20115.4
1047T31.1Very low29.4Very low122 Ų122141.2 Ų141.275%0.74876%0.764SS**  -170.4148.461.639.80000113
1048N29.4Very low29.4Very low127 Ų127144.4 Ų144.468%0.67977%0.774SS**  trans50.3118.3143.8-62.356.9000122.5
1049E28Very low29.1Very low166 Ų166143 Ų14378%0.77677%0.774SS**  51.4115.5121.3-57.7166.8133.500120.7
1050C30.1Very low28.8Very low134 Ų134142.5 Ų142.591%0.90578%0.779SS**  trans-142.1135.2137.1-970000109.6
1051D29Very low28.7Very low116 Ų116144 Ų14462%0.6278%0.782SS**  trans-97.4136.4-172.1175.714.3000111.1S1053D1051-S1053 VanDerWaalsContact OD1-CB 3.31Å; D1051-S1053 WeakPolarHBondContact OD1-CB 3.33Å; D1051-S1053 PolarHBondContact OD1-N 3.41Å; D1051-S1053 PolarHBondContact OD1-OG 2.91Å; D1051-S1053 PolarHBondContact OD2-OG 3.5Å
1052W28.5Very low28.8Very low244 Ų244141 Ų14192%0.92478%0.782SS**  trans-96.56.3179.1-98103.9000114.4S1054W1052-S1054 PolarHBondContact O-N 3.36Å
1053S26.6Very low28.9Very low59 Ų59141.2 Ų141.241%0.41378%0.783SS.*  trans-102.151.7-169.767.90000115K456 D1051K456-S1053 VanDerWaalsContact NZ-CB 3.29Å; K456-S1053 PolarHBondContact NZ-O 3.48Å; K456-S1053 PolarHBondContact NZ-OG 2.9Å; D1051-S1053 VanDerWaalsContact OD1-CB 3.31Å; D1051-S1053 WeakPolarHBondContact OD1-CB 3.33Å; D1051-S1053 PolarHBondContact OD1-N 3.41Å; D1051-S1053 PolarHBondContact OD1-OG 2.91Å; D1051-S1053 PolarHBondContact OD2-OG 3.5Å
1054S26.8Very low29Very low108 Ų108140.9 Ų140.976%0.75578%0.782SS**  trans-133.345178.765.50000115.7W1052W1052-S1054 PolarHBondContact O-N 3.36Å
1055V28.4Very low29.2Very low116 Ų116142.5 Ų142.570%0.70378%0.777SS**  trans-122.9151160.2-170.70000108.4
1056F28.2Very low29.4Very low194 Ų194144.8 Ų144.885%0.85178%0.782SS**SBendtrans66.477.4-174.1-59.3-80000116.6
1057S28.2Very low29.6Very low111 Ų111143.8 Ų143.878%0.77678%0.781SS**  trans175.784.4131.4-81.50000113.3
1058Q32Very low29.6Very low200 Ų200145.3 Ų145.394%0.93578%0.779SS**  trans-162.2145.4150.7-121.1146.998.200112
1059I27.3Very low29.6Very low166 Ų166146.2 Ų146.285%0.85178%0.784SS**  trans-109.8136.5-176.9-64.3166000108.7
1060A28.9Very low29.6Very low98 Ų98146.9 Ų146.981%0.8179%0.787SS**  trans-152.6154.9155.800000108.5
1061E29Very low29.6Very low179 Ų179147.7 Ų147.784%0.83678%0.782SS**  trans-98.7173-161.8-62.1162.911800114.4
1062S30.2Very low29.7Very low108 Ų108149.5 Ų149.576%0.75579%0.791SS**  trans88.2117.1155.275.10000120.6
1063H30.4Very low29.6Very low165 Ų165147.1 Ų147.176%0.76479%0.79SS**  trans43.2109.6148.9-61.7-67.7000121.2
1064L33.8Very low29.8Very low172 Ų172151.4 Ų151.490%0.90181%0.807SS**  -167.6133.297-103.5162.6000112.1
1065D32.4Very low29.9Very low136 Ų136152.6 Ų152.673%0.72781%0.805SS**  trans-92.7153.8-172.9-52.8-93.9000113.9
1066S31.4Very low30Very low115 Ų115155.4 Ų155.480%0.80482%0.815SS**  -167.2139115.416.30000113.4
1067E31Very low29.9Very low184 Ų184150.7 Ų150.786%0.8680%0.803SS**SBendtrans72.4121.5170.1-51.8-147.8135.800119.7
1068Q31.5Very low29.9Very low153 Ų153152.1 Ų152.172%0.71580%0.801SS**  trans68.166.8162.2-56.3-168.419.200118.9
1069N30.3Very low29.7Very low147 Ų147152.5 Ų152.579%0.78680%0.801SS**  trans-126.7106.9148.7-165.80.8000109.8
1070Q27.8Very low29.8Very low179 Ų179152.7 Ų152.784%0.83680%0.803SS**  trans-146.4151.8167.9-74.8-162.3-6.900109.4
1071L30.3Very low29.8Very low151 Ų151152.1 Ų152.179%0.79180%0.798SS**  trans64.171-171.2-75.477.6000114.7
1072N30Very low29.8Very low154 Ų154153.9 Ų153.982%0.82480%0.804SS**  trans-142.551.9145.5-114.7-27.7000110.2
1073Q27.6Very low29.9Very low194 Ų194152.3 Ų152.391%0.90781%0.805SS**  trans-163.771.4174.7-133.5172.784.600112.6
1074I30.4Very low29.8Very low150 Ų150151.1 Ų151.177%0.76981%0.809SS**  trans-14292.7155.2-55.5-179.4000103.4
1075D28.9Very low29.7Very low133 Ų133148.8 Ų148.871%0.71180%0.804SS**  79.7139.977.3-157.95.8000112.9T1077D1075-T1077 VanDerWaalsContact C-N 3.29Å; D1075-T1077 PolarHBondContact O-N 3.19Å
1076L30Very low29.6Very low174 Ų174151.2 Ų151.291%0.91181%0.808SS**SBendtrans-84.563.6-172.4-82.4156.2000110.8
1077T27Very low29.5Very low96 Ų96156 Ų15659%0.58982%0.815SS**  trans-151.3170.7176.39.50000112.5D1075D1075-T1077 VanDerWaalsContact C-N 3.29Å; D1075-T1077 PolarHBondContact O-N 3.19Å
1078D26.8Very low29.5Very low140 Ų140154.5 Ų154.575%0.74981%0.811SS**  trans63.642.6164.8-62.7-2000118.8
1079F29.1Very low29.6Very low209 Ų209151.9 Ų151.992%0.91781%0.81SS**SBendtrans-125.538.9145-119.7-86.3000113
1080N29.4Very low29.5Very low169 Ų169151.9 Ų151.990%0.90481%0.81SS**  trans-13664175.8-103.4-40.8000110.4
1081A28.2Very low29.8Very low86 Ų86149.3 Ų149.371%0.71181%0.806SS**  trans-12717.6-167.400000115.8
1082F30.3Very low29.9Very low217 Ų217150 Ų15095%0.95281%0.806SS**SBendtrans-137.6131.7166.3-90.3-80.5000111.3
1083G30.7Very low29.9Very low75 Ų75150.1 Ų150.177%0.77381%0.805SS**  trans82.280.8172.800000115.5P1085G1083-P1085 WeakPolarHBondContact O-CD 3.37Å
1084T28.9Very low30.2Very low139 Ų139145.8 Ų145.885%0.85379%0.794SS**  trans-90.9119.7166.836.70000111.6
1085P31.1Very low30Very low123 Ų123144.3 Ų144.380%0.79979%0.794SS**  trans-84.6111.6158.85.214000108.1G1083 K1087G1083-P1085 WeakPolarHBondContact O-CD 3.37Å; P1085-K1087 PolarHBondContact O-N 2.68Å
1086K31.8Very low30.2Very low187 Ų187144.1 Ų144.181%0.81380%0.797SS**  trans-62.8135169.8-79.9-177.1176.1177.60109.4I1088K1086-I1088 PolarHBondContact O-N 3.02Å
1087K28.3Very low30.3Very low216 Ų216143 Ų14394%0.93979%0.792SS**  trans-56.9112.7161-72.3-174.3176.6-176.70108.7P1085P1085-K1087 PolarHBondContact O-N 2.68Å
1088I31.8Very low30.4Very low152 Ų152145.4 Ų145.478%0.77980%0.796SS**  trans-112.8132.9158.1-65.5-179.2000105.4K1086K1086-I1088 PolarHBondContact O-N 3.02Å
1089S32.4Very low30.4Very low99 Ų99144.3 Ų144.369%0.69279%0.79SS**  trans-65.7147.1-178.750.50000112.1
1090D29.5Very low30.4Very low147 Ų147144.3 Ų144.379%0.78679%0.79SS**  trans18.7147.9148.9-55.4-45000121.4
1091T32.7Very low30.5Very low125 Ų125144.8 Ų144.877%0.76779%0.787SS**  trans92.3121.6162.1-14.20000117.3
1092Q33.1Very low30.7Very low166 Ų166146.1 Ų146.178%0.77679%0.789SS**  trans94.8117.7156.6-52.2-161-2.600119.7
1093L30.6Very low30.8Very low155 Ų155143.1 Ų143.181%0.81278%0.782SS**  trans84.9145.6148-66.5165.9000117.3
1094P32.2Very low30.6Very low104 Ų104145.9 Ų145.968%0.67578%0.779SS**  -108.3167.2-121.81.820.1000115.4
1095P28.2Very low30.8Very low119 Ų119147.6 Ų147.677%0.77378%0.777SS**  trans-71.4150.8177.431.7-36.2000112.4
1096V33.2Very low30.9Very low128 Ų128146.2 Ų146.278%0.77678%0.776SS**  trans-123.4104.9165.7177.50000108
1097L31.2Very low30.9Very low151 Ų151146.2 Ų146.279%0.79178%0.779SS**  trans38.6106.9143.8-54175.6000116.1
1098Q28.5Very low30.9Very low146 Ų146144.2 Ų144.268%0.68278%0.777SS**  cis64.3126.427.3-126.1-167.7-66.500114.3
1099D28.2Very low30.9Very low117 Ų117142.3 Ų142.363%0.62678%0.777SS**  trans66.9127.2158.3-48.2-32.7000121.5
1100F29.1Very low30.9Very low210 Ų210145.5 Ų145.592%0.92178%0.781SS**  trans-148.449.6159.9-102.9-66.8000111.5
1101E30.7Very low31.1Very low178 Ų178145.3 Ų145.383%0.83278%0.781SS**  -85.6152.4128.3-64.8-170.7134.300106.4
1102P32.9Very low31.4Very low115 Ų115147.3 Ų147.375%0.74779%0.787SS**  -146.513993.636-19.3000115.7
1103D31.4Very low31.2Very low153 Ų153148 Ų14882%0.81879%0.79SS**  31153.1125.9-115.1-33.8000124
1104L27.5Very low31.4Very low133 Ų133148.1 Ų148.170%0.69679%0.786SS**  trans-88.3161.2166.4-81.471.8000111.6
1105H32.9Very low31.6Very low176 Ų176150.6 Ų150.682%0.81579%0.786SS**  trans86.7118.3157.7-62-71.6000120.6
1106A33.3Very low31.9Very low94 Ų94151.8 Ų151.878%0.77779%0.785SS**  trans106.3155.4131.600000120.9
1107E31.7Very low31.9Very low187 Ų187154.9 Ų154.987%0.87479%0.788SS**  trans73.170.6160.3-48-137.2132.800121
1108L28.8Very low31.9Very low173 Ų173153.2 Ų153.291%0.90678%0.784SS**  18.2122.6124.2-72.4163.1000120.2
1109S31.8Very low32.2Very low112 Ų112153.9 Ų153.978%0.78379%0.79SS**  152.9158.2128.657.80000111.6
1110Q30.9Very low32.3Very low166 Ų166151.2 Ų151.278%0.77679%0.79SS**  cis-154160.9-25.6-115.4-178.9-11.100107.9
1111N34.5Very low32.3Very low144 Ų144147.6 Ų147.677%0.7779%0.786SS**  trans69.7135-174.4-42.6-40000113.3
1112D38.6Very low32.4Very low167 Ų167146.6 Ų146.689%0.89379%0.785SS**  cis-97.5134.66.7-67.7-47.9000114
1113Q30.1Very low32.3Very low180 Ų180148.3 Ų148.384%0.84178%0.783SS**  trans-128.7129.1162.4-71.1-172.8-2.500108.7
1114E35Very low32.3Very low158 Ų158148.8 Ų148.874%0.73878%0.781SS**  trans173.3107.5130.3-106.2-163.8-168.800113.7
1115K36.2Very low32.4Very low155 Ų155154.5 Ų154.567%0.67479%0.793SS**  161.3137.9110.1-90.8162.6178.683.80114.3
1116I34.7Very low32.3Very low145 Ų145152.2 Ų152.274%0.74479%0.792SS**  trans50.197135.7-54.9168.1000115.1
1117K31.9Very low32.3Very low193 Ų193154.7 Ų154.784%0.83979%0.792SS**  cis61.4127.240-153.3-178.2-171177.40113.1
1118T32.4Very low32.3Very low116 Ų116151.1 Ų151.171%0.71279%0.788SS**  trans113115162-48.60000117.1
1119I33.4Very low32.5Very low159 Ų159146.7 Ų146.782%0.81578%0.783SS**  trans51.4125.8151.7-56.4167.8000117.7
1120G31.5Very low32.5Very low61 Ų61147.7 Ų147.763%0.62979%0.791SS**  cis128.215524.300000111
1121T29Very low32.6Very low134 Ų134142.9 Ų142.982%0.82279%0.785SS**  trans74.9161.8167.415.20000121
1122L32.5Very low32.6Very low157 Ų157142.6 Ų142.682%0.82279%0.789SS**  trans68.4107.9-172-61.5120.9000114
1123E31.2Very low32Very low151 Ų151141.6 Ų141.671%0.70678%0.783SS**  cis78116.646.5-65.1-149.597.300116.6
1124Q29.5Very low32.2Very low163 Ų163141.2 Ų141.276%0.76279%0.785SS**  trans49116143.3-54.4-175.537.100120.2
1125R31Very low31.9Very low253 Ų253142.6 Ų142.696%0.95579%0.788SS**  -160.7140.5117.2-108.4162-168-165.82.5113.2
1126T30.2Very low31.8Very low128 Ų128140.5 Ų140.579%0.78579%0.79SS**  trans-117.3146.1176.545.70000110.5
1127N33Very low31.7Very low147 Ų147138 Ų13879%0.78679%0.786SS**  trans172.2125.8144.8-88.9-31.2000107.4
1128S32.2Very low31.6Very low112 Ų112136 Ų13678%0.78378%0.784SS**  cis88.4132.143.186.40000113.6
1129G33.7Very low31.6Very low79 Ų79140 Ų14081%0.81479%0.792SS**  trans-177.6131.7-179.600000108.1
1130S31.8Very low31.3Very low134 Ų134137.5 Ų137.594%0.93778%0.784SS**  trans-144.7161.1-159.1610000114.5
1131G33.2Very low31.3Very low64 Ų64141 Ų14166%0.6678%0.784SS**  trans140142.1167.600000113.1
1132T32.6Very low31.4Very low138 Ų138142.1 Ų142.185%0.84779%0.785SS**  cis-152.4158.7-7.6-64.30000109.2
1133L27.7Very low31.2Very low147 Ų147145.4 Ų145.477%0.7779%0.787SS**  trans-59.3155.4-177.5-78.165.9000114.9
1134I33.2Very low31.2Very low172 Ų172147.1 Ų147.188%0.88279%0.788SS**  -155.3147.6118.6-97.1149.6000110
1135K28.7Very low31.2Very low187 Ų187144.5 Ų144.581%0.81378%0.779SS**  trans-127.1173176.3-83.2-171.5176.2-177.70107.5
1136P35Very low31.2Very low110 Ų110138.5 Ų138.571%0.71477%0.771SS**  cis-149-177.220.943.9-23.3000119.3
1137S32.3Very low31.4Very low93 Ų93138.1 Ų138.165%0.6576%0.764SS**  trans96.3115.2134.570.40000123.9
1138N30.1Very low31.3Very low150 Ų150139 Ų13980%0.80277%0.768SS**  trans82.9137.9130.1-63.2-3.4000123.3
1139K31.2Very low31.2Very low200 Ų200140 Ų14087%0.8776%0.763SS**  trans71.3144163-68.5-175.7179.3-170.80117.9
1140T28.6Very low31.1Very low108 Ų108141.8 Ų141.866%0.66376%0.758SS**  cis-154.4177.2-32.6-27.70000107.6
1141E30.8Very low31Very low135 Ų135142.3 Ų142.363%0.63175%0.745SS**  trans68.695.5152.7-77.5156.1-114.400120.6
1142D30.9Very low30.9Very low156 Ų156145.5 Ų145.583%0.83476%0.755SS**  76.3149.1114.1-73.321.8000123.7
1143R28.1Very low30.9Very low227 Ų227144.9 Ų144.986%0.85775%0.75SS**  trans-122.3124.1-167.5-57.3163.1171.2167.5-6.7109.9
1144Y30.6Very low31.1Very low186 Ų186143.1 Ų143.173%0.72975%0.751SS**  trans-151.299.2148.4-85.4-67000109.9K368K368-Y1144 PolarHBondContact NZ-OH 3.05Å
1145N31Very low31.1Very low108 Ų108142.4 Ų142.458%0.57874%0.741SS**  trans-153.6104.7158.4-137.727.3000107.4D660D660-N1145 PolarHBondContact OD2-ND2 3.36Å; D660-N1145 VanDerWaalsContact OD2-ND2 3.16Å
1146T30.3Very low31.4Very low128 Ų128142.9 Ų142.979%0.78575%0.746SS**  trans-134.472.4178.748.30000108.9L1148T1146-L1148 PolarHBondContact O-N 3.28Å
1147N34.6Very low31.3Very low119 Ų119147.1 Ų147.164%0.63675%0.753SS**  trans-74.1107.9166.5-68-24.7000107.7I1149N1147-I1149 PolarHBondContact O-N 3.02Å
1148L30.5Very low31.3Very low165 Ų165151.1 Ų151.186%0.86477%0.766SS**  trans-77.3105.1168.1-103.2162.8000108.2T1146T1146-L1148 PolarHBondContact O-N 3.28Å
1149I31.4Very low31.3Very low134 Ų134150.5 Ų150.569%0.68776%0.762SS**  trans-74.8124.3171.8-59173.9000107.5N1147 E1151N1147-I1149 PolarHBondContact O-N 3.02Å; I1149-E1151 HydrophobicContact CG2-CG 3.99Å; I1149-E1151 PolarHBondContact O-N 3.05Å
1150V30.8Very low31.3Very low117 Ų117147.1 Ų147.171%0.70975%0.753SS**  trans-94.789170.4-1780000107.9
1151E30.1Very low31.6Very low144 Ų144150.4 Ų150.467%0.67376%0.758SS**  trans-85.7140.2164.4-84.4-176.7-178.700110.2I1149 V1153I1149-E1151 HydrophobicContact CG2-CG 3.99Å; I1149-E1151 PolarHBondContact O-N 3.05Å; E1151-V1153 PolarHBondContact O-N 3.3Å
1152P31.4Very low31.6Very low132 Ų132149 Ų14986%0.85776%0.763SS**  trans-75.790.4175.931-33.8000110.6S1154P1152-S1154 PolarHBondContact O-N 3.47Å
1153V31.5Very low31.6Very low124 Ų124149.3 Ų149.375%0.75276%0.763SS**  trans-74.6110.9-179.4-178.80000111.2E1151E1151-V1153 PolarHBondContact O-N 3.3Å
1154S32.9Very low31.7Very low111 Ų111146.1 Ų146.178%0.77676%0.761SS**  trans-61.4133.1171.752.20000112.1P1152 E1156P1152-S1154 PolarHBondContact O-N 3.47Å; S1154-E1156 PolarHBondContact O-N 3.31Å
1155K32.6Very low31.8Very low156 Ų156145.6 Ų145.668%0.67877%0.765SS**  trans-82.7106.9-174.9-70.2170.4175168.10112.9E309E309-K1155 VanDerWaalsContact CG-NZ 3.27Å; E309-K1155 IonicContact OE1-NZ 2.65Å; E309-K1155 PolarHBondContact OE1-NZ 2.95Å
1156E33.9Very low31.8Very low197 Ų197145 Ų14592%0.92177%0.769SS**  trans-116.7146.7148.9-78.2-149.8117.600111.4S1154S1154-E1156 PolarHBondContact O-N 3.31Å
1157K33.3Very low31.9Very low199 Ų199147 Ų14787%0.86578%0.775SS**  trans-94.5148.7-176.4-61.2164.6-177.3163.60109.5
1158I33.8Very low31.8Very low178 Ų178147.4 Ų147.491%0.91378%0.782SS**  -164150.1120.9-102.4153000111.8
1159L28.9Very low32.1Very low137 Ų137143.1 Ų143.172%0.71778%0.778SS**  trans-103.2133.5-172.5178.381.5000110.3
1160N32.2Very low32.1Very low128 Ų128143.3 Ų143.368%0.68478%0.781SS**  173.8121123.6-94.8-56000116.5
1161K34Very low32.3Very low178 Ų178144.9 Ų144.977%0.77479%0.785SS**  37104127.8-72.5-179.5176.4175.20121
1162S31.3Very low32.5Very low104 Ų104143.3 Ų143.373%0.72779%0.79SS**  55.5130.7119.268.60000122.3
1163I31.1Very low32.7Very low164 Ų164144.1 Ų144.184%0.84178%0.782SS**  -154150.3125.3-102.6152.2000108.5
1164I30Very low32.7Very low159 Ų159144.8 Ų144.882%0.81578%0.781SS**  trans-127.2127176.8-63172.3000108.9
1165Q31.7Very low32.7Very low175 Ų175147.1 Ų147.182%0.81878%0.777SS**  trans-164.7103.8155.8-104165.3-21.100105.1
1166S30.9Very low32.8Very low95 Ų95145.6 Ų145.666%0.66478%0.781SS**  71.2108.767.677.80000113.4
1167D33.1Very low32.7Very low170 Ų170140.8 Ų140.891%0.90977%0.769SS**  trans-146.8155.1152.2-123.6-29.4000109.5
1168V33.3Very low32.9Very low128 Ų128136 Ų13678%0.77676%0.761SS**  trans-125.8139.2-162.1176.70000112.1
1169G35.8Very low32.9Very low76 Ų76132.2 Ų132.278%0.78475%0.75SS**  trans-143.3128.8167.600000110.6
1170N31.6Very low33.1Very low138 Ų138131.9 Ų131.974%0.73876%0.756SS**  trans-81.9157.7-176.5-63.8-29.1000112.2
1171D36Very low33.2Very low150 Ų150132.1 Ų132.180%0.80276%0.762SS**  -173.2150.6101.3-89.1-20.2000112.8
1172S34.2Very low33.2Very low110 Ų110131.3 Ų131.377%0.76977%0.765SS**  trans2.3145.1163.259.50000120.5
1173E33.8Very low33.1Very low149 Ų149133.4 Ų133.470%0.69677%0.767SS**  cis-173.7-173.4-9.3-111.6-128.189.600106
1174L33Very low33.2Very low139 Ų139131.8 Ų131.873%0.72876%0.76SS**  cis-136.4161.713.9-86.589.3000112
1175F32.6Very low33.5Very low159 Ų159132.3 Ų132.370%0.69776%0.759SS**  trans39.2106.8147-78.9-110.3000119.8
1176V34.1Very low33.4Very low125 Ų125131.6 Ų131.676%0.75876%0.757SS**  81.9125.376.9160.50000113.1
1177S32.2Very low33.4Very low96 Ų96135.7 Ų135.767%0.67176%0.763SS**  cis-164.1-162.3-10.760.50000107.8
1178S37.2Very low33.3Very low99 Ų99132.6 Ų132.669%0.69275%0.754SS**  cis-173.2162.44.522.70000108.3
1179S33.5Very low33.3Very low98 Ų98134.2 Ų134.269%0.68576%0.759SS**  cis-173113.2-23.8-82.40000108.4
1180P32.8Very low33Very low130 Ų130136.7 Ų136.784%0.84476%0.759SS**  trans-89.6148.1175.934.9-33000112.9
1181T35.8Very low33Very low133 Ų133140.2 Ų140.282%0.81677%0.768SS**  trans-156.9149.5176.4-0.50000107.5
1182I33.9Very low32.6Very low161 Ų161142 Ų14283%0.82677%0.771SS**  cis-136155.818.3-63.2177.5000110.1
1183L28Very low32.4Very low148 Ų148143.7 Ų143.778%0.77578%0.777SS**  trans-113.3141169.6177.770.9000111.2
1184N34.6Very low32.1Very low129 Ų129146.7 Ų146.769%0.6979%0.788SS**  trans162152.4150.7-85.8-30.8000109
1185H34.8Very low32Very low171 Ų171145.2 Ų145.279%0.79279%0.789SS**  cis-140.8-169.812-120.5-31.7000112.1
1186M30.4Very low31.7Very low159 Ų159146.2 Ų146.278%0.78380%0.796SS**  trans-109.4173.3-167.4-50.8171.183.700115
1187K32Very low31.5Very low182 Ų182146.9 Ų146.979%0.79180%0.8SS**  trans93.6101.3152.4-69.1176-179.8178.90119.7
1188S30.4Very low31.3Very low104 Ų104151.5 Ų151.573%0.72781%0.808SS**  39.6122.2127.760.70000120.5
1189D33.3Very low30.8Very low162 Ų162150.7 Ų150.787%0.86681%0.807SS**  -154.3157.4108.1-126.5-22.9000113
1190T28.4Very low30.7Very low129 Ų129154 Ų15479%0.79182%0.816SS**  trans-104.2125.3-17823.30000113.2
1191K32.7Very low30.4Very low212 Ų212154.7 Ų154.792%0.92281%0.812SS**  trans-161.3160.3151.4-113157.7-169.9172.60112.9
1192Q27.2Very low30.2Very low186 Ų186155.8 Ų155.887%0.86981%0.813SS**  trans-86.9136.8-171.3-58.1154.5-66.100112.6
1193T30.6Very low30Very low146 Ų146152.8 Ų152.890%0.89681%0.805SS**  trans-154.5150.7144.516.70000109.5
1194K27.2Very low30Very low212 Ų212152.6 Ų152.692%0.92281%0.809SS**  trans-92.7136.1171.2-63.6179.4177.9-177.40109.6
1195S31.1Very low29.9Very low109 Ų109154.7 Ų154.776%0.76282%0.815SS**  trans-161.6141.4156.152.30000110.5
1196E25.9Very low29.7Very low179 Ų179154.4 Ų154.484%0.83681%0.811SS**  trans-76.7148.4-171.3-48.5100129.500113.9
1197V28.8Very low29.8Very low140 Ų140151.8 Ų151.885%0.84882%0.815SS**  trans-137.395.9152.7-174.40000110.3
1198K28.4Very low29.7Very low192 Ų192146.6 Ų146.684%0.83581%0.813SS**  trans32.7107.6148.4-59.8-176.3178.4-176.30118.5
1199A27Very low29.9Very low82 Ų82148.7 Ų148.768%0.67881%0.811SS**  trans-66.1162.5151.400000111.4
1200I30.6Very low30Very low169 Ų169146.5 Ų146.587%0.86781%0.808SS**  trans-111.298.1161.5-61.5177.6000105.9
1201D27.4Very low30.1Very low144 Ų144147.9 Ų147.977%0.7781%0.811SS**  trans-79.7141.3177.8-82-57.8000111.8
1202L31.4Very low30.1Very low156 Ų156146.9 Ų146.982%0.81781%0.809SS**  trans-148.169.9163.4-119.4165.7000111.6
1203C29Very low30.5Very low98 Ų98143.6 Ų143.666%0.66281%0.805SS**  trans43102.4154-620000119.6
1204V28.9Very low30.8Very low143 Ų143143.7 Ų143.787%0.86780%0.804SS**  trans-112.6114.6143.7177.30000108.1
1205H31.4Very low31.1Very low174 Ų174140.3 Ų140.381%0.80680%0.795SS**  trans-83.5124174.1-85.6-80000111.2
1206K31.2Very low31.2Very low165 Ų165141.7 Ų141.772%0.71779%0.794SS**  trans-110.7160.3151.6-80.6-170169-172.40108.6S301S301-K1206 PolarHBondContact O-NZ 2.83Å
1207A32.6Very low31.6Very low104 Ų104141.1 Ų141.186%0.8679%0.791SS**  trans-130.9155-172.500000112.7
1208G30.2Very low31.9Very low73 Ų73139.9 Ų139.975%0.75378%0.783SS**  trans92.5140.9-179.700000113.6
1209E35.4Very low32.2Very low148 Ų148135 Ų13569%0.69277%0.774SS**  cis-148.6155.710.6-62.7-162.99600114.5K433K433-E1209 IonicContact NZ-OE1 3Å; K433-E1209 PolarHBondContact NZ-OE1 2.74Å; K433-E1209 IonicContact NZ-OE2 2.73Å
1210S35.4Very low32.7Very low115 Ų115138.2 Ų138.280%0.80478%0.775SS**  trans53.8140149.155.60000123.3
1211N30.2Very low33.1Very low159 Ų159136.1 Ų136.185%0.8577%0.765SS**  trans-97.3153.1172.3-65.3-65.9000113
1212E33Very low33.6Very low190 Ų190138.2 Ų138.289%0.88877%0.767SS**  trans-134.1134.2142.4-83.7-155.6140.800110.3
1213P35Very low33.9Very low118 Ų118135.8 Ų135.877%0.76676%0.761SS**  trans-110.5135.1176.636.7-28.2000113.6
1214V37.3Very low34.2Very low147 Ų147137.3 Ų137.389%0.89177%0.768SS**  trans-131143.4165.2-178.30000109.9
1215I32.7Very low34.7Very low141 Ų141135.7 Ų135.772%0.72376%0.76SS**  trans-109.6137.7-165.9-49168.1000109.6
1216N34.6Very low35Very low139 Ų139135.1 Ų135.174%0.74376%0.758SS**  172.5118.7129.3-86.7-20.8000115.8
1217E33.1Very low35.2Very low167 Ų167131.7 Ų131.778%0.7875%0.754SS**  64.8115.6124.2-64.5-146.6132.700124.8
1218V35.4Very low35.5Very low113 Ų113134.7 Ų134.769%0.68575%0.751SS**  105126.3112.5163.50000121.9
1219S35.4Very low35.7Very low91 Ų91136.4 Ų136.464%0.63675%0.751SS**  trans75.8145.5151.9-83.20000121.7
1220Q36.7Very low35.6Very low149 Ų149134.4 Ų134.470%0.69675%0.754SS**  cis-169.7155-16.5-126.9177.854.400112.5
1221N38.8Very low35.5Very low125 Ų125133.6 Ų133.667%0.66875%0.754SS**  trans69.1152.5153.9-61.4-31.6000118.7
1222K38.2Very low35.4Very low187 Ų187131.2 Ų131.281%0.81375%0.75SS**  cis-152-174.25.6-130.1-177.1179.6179.50110.5
1223P37.4Very low35.2Very low106 Ų106129.7 Ų129.769%0.68875%0.747SS**  -129.1-178.7-116.744.1-25.7000119.1
1224T34.5Very low35Very low129 Ų129131 Ų13179%0.79175%0.752SS**  trans-33.5176.9161.8290000118.7
1225P40.8Very low34.5Very low109 Ų109131.1 Ų131.171%0.70875%0.748SS**  cis-128.4-175.517.646.4-30.7000114.3
1226E37.7Very low34.8Very low163 Ų163129.5 Ų129.576%0.76275%0.746SS**  cis-155.5-178.4-1.6-133.5-175.1-76.200107.7
1227S35.9Very low34.5Very low92 Ų92132.2 Ų132.264%0.64376%0.755SS**  cis-157.4176.77.757.60000113.8
1228Q37.2Very low34.2Very low167 Ų167130.1 Ų130.178%0.7875%0.753SS**  trans9137.4155.8-58172.628.700120.3
1229S35.6Very low33.8Very low110 Ų110132.3 Ų132.377%0.76976%0.76SS**  cis-172.8153.1-9.645.30000107.9
1230S33.7Very low33.5Very low106 Ų106138.6 Ų138.674%0.74177%0.772SS**  cis-164.4141.2-5.145.90000110.4
1231A32Very low33.1Very low97 Ų97137.2 Ų137.280%0.80277%0.769SS**  trans50.3140.3152.900000121
1232S29.6Very low32.6Very low110 Ų110140.8 Ų140.877%0.76978%0.778SS**  cis-165.6176.6-9.948.70000110.6
1233L28.2Very low32.3Very low158 Ų158137.6 Ų137.683%0.82777%0.77SS**  trans-57.2161.5174.4-52.881.8000111.7
1234V30.3Very low31.9Very low145 Ų145141.3 Ų141.388%0.87978%0.778SS**  -153165.176.3157.50000112.2
1235N27.7Very low31.8Very low150 Ų150139.7 Ų139.780%0.80277%0.773SS**  trans-80.7-170.7-177.7-134.65.9000112
1236P38.8Very low31.5Very low106 Ų106140.3 Ų140.369%0.68878%0.776SS**  trans-110.7146.5-135.639-24.9000114.7
1237E26.5Very low31.4Very low196 Ų196140.3 Ų140.392%0.91678%0.78SS**  trans-154.2171.1156.9-135.3159-150.400114.3
1238V28.3Very low31.1Very low124 Ų124142 Ų14275%0.75279%0.786SS**  trans-61.5141.1-171.1172.90000113.5
1239L27.2Very low31Very low159 Ų159138.9 Ų138.983%0.83278%0.783SS**  trans-162126135.2-107.5157.7000112.4
1240Y27.8Very low30.9Very low223 Ų223139.7 Ų139.788%0.87578%0.779SS**  trans-72.1135.2152-101.4-100.1000107.3
1241D28.9Very low30.9Very low119 Ų119141.3 Ų141.364%0.63678%0.779SS**  trans-136.5139.8167.4-158.6-7.8000112N1243D1241-N1243 PolarHBondContact OD1-ND2 2.76Å; D1241-N1243 PolarHBondContact OD2-ND2 2.96Å
1242K28.7Very low31.4Very low201 Ų201141.7 Ų141.787%0.87477%0.773SS**  trans-116.487.9175.5-75.1-178.31781770108.2
1243N31Very low31.5Very low120 Ų120145.6 Ų145.664%0.64278%0.776SS**  trans-102105.4171-80.3-57.4000112.1D1241D1241-N1243 PolarHBondContact OD1-ND2 2.76Å; D1241-N1243 PolarHBondContact OD2-ND2 2.96Å
1244E29.4Very low32Very low183 Ų183146.6 Ų146.686%0.85578%0.777SS**  trans-65150.9142.4-64-171136.100108.7
1245S32.3Very low32.1Very low96 Ų96144.4 Ų144.467%0.67176%0.764SS**  trans-152.797.8175.5-78.70000111.7
1246P35.7Very low32.2Very low121 Ų121143.7 Ų143.779%0.78676%0.76SS**  trans-85.9122.3171.232.5-30.1000110.5
1247I33.9Very low32.1Very low163 Ų163145.1 Ų145.184%0.83676%0.76SS**  trans-122.5134.4170.9-62.2-177000110.1
1248V30.9Very low32.5Very low128 Ų128141.8 Ų141.878%0.77675%0.754SS**  trans-109.7167-175.1171.10000109.6
1249S33.9Very low32.9Very low101 Ų101140.8 Ų140.871%0.70675%0.752SS**  trans95.6148.8168.991.90000115.4
1250N34.6Very low33.4Very low128 Ų128136.8 Ų136.868%0.68474%0.737SS**  cis-161121.8-4.2-133.3-21.6000113.2
1251N33.1Very low33.9Very low140 Ų140134.6 Ų134.675%0.74973%0.732SS**  trans53.9174.6146.2-88.3-62.4000121.2
1252P41.4Very low34.4Very low105 Ų105133.8 Ų133.868%0.68273%0.728SS**  cis-129.3164.3-20.632.9-14.3000116
1253K33.4Very low34.8Very low192 Ų192132.5 Ų132.584%0.83572%0.723SS**  trans21.9127.9145.1-56.4173-178.8175.80120.9
1254Q37.1Very low34.9Very low179 Ų179130.7 Ų130.784%0.83672%0.724SS**  -170128.9113.1-104.1-169.4-85.500114
1255T32.3Very low35.2Very low99 Ų99130.9 Ų130.961%0.60772%0.722SS**  27.2139.2120660000119.3
1256D31Very low35.4Very low135 Ų135134.9 Ų134.972%0.72273%0.727SS**  cis-172.5-169.33.7-135.7-60.7000113.3
1257I37.2Very low35.3Very low136 Ų136137.2 Ų137.270%0.69773%0.727SS**  trans81.8102.1153-68.6146.5000119.7
1258T34.7Very low35.2Very low126 Ų126139.6 Ų139.677%0.77373%0.726SS**  29.6153.8128.598.20000121.6
1259S35.7Very low35.2Very low102 Ų102140.1 Ų140.171%0.71372%0.724SS**  cis-159.5-162.19.668.20000109.2
1260S38.8Very low35Very low76 Ų76145.6 Ų145.653%0.53173%0.729SS.*  cis-164.6144.56.9-114.60000110.9
1261K38.4Very low34.9Very low177 Ų177146.4 Ų146.477%0.7773%0.729SS**  trans64.6149.1141.6-63.7168.8-168.4165.70119.2
1262D38.9Very low34.9Very low101 Ų101148 Ų14854%0.5473%0.729SS.*  cis-158137.7-2.7-117.6-18.9000113.7
1263K36.3Very low34.6Very low175 Ų175151.3 Ų151.376%0.76173%0.733SS**  trans52.1157.3137.9-64.7159.5-169.3138.30122.9
1264A34.4Very low34.7Very low81 Ų81150.3 Ų150.367%0.66973%0.728SS**  cis-176.3165.2-29.200000112.2
1265K35.5Very low34.7Very low188 Ų188150.9 Ų150.982%0.81773%0.728SS**  trans78.8111.1151.9-74.5175.4-179.9172.30122.3
1266K35.6Very low34.7Very low179 Ų179154.1 Ų154.178%0.77873%0.734SS**  87.199.4122-72.1-164.9171.7-169.70122.3
1267H33.9Very low34.9Very low171 Ų171152.8 Ų152.879%0.79273%0.731SS**  74.8118.3115.4-92.9-60.6000123.4
1268R32Very low34.6Very low212 Ų212154.6 Ų154.680%0.877%0.766SS**  97.2110.6122.4-161.1-179.9-160.5-176.35.9117.8
1269N31.4Very low34.6Very low139 Ų139156 Ų15674%0.74377%0.765SS**  trans50.5132.1151.3-55.82.8000117.3
1270R29.7Very low34.5Very low216 Ų216158.8 Ų158.882%0.81577%0.768SS**  cis-171.7153.638.3-146.3175-176.5169.20.2109.5
1271H32.4Very low34.3Very low146 Ų146163.4 Ų163.468%0.67678%0.781SS**  trans50.3129.5155.8-77.7-44.2000123.1
1272K32.7Very low34Very low174 Ų174162.6 Ų162.676%0.75778%0.782SS**  trans79.4121.7133.5-74.1174.5177.9172.50120.2
1273K34.2Very low33.7Very low174 Ų174166.5 Ų166.576%0.75780%0.797SS**  trans84.6111.5138.6-76.7-178.9174.8175.40119.7
1274K36.4Very low33.5Very low170 Ų170165.9 Ų165.974%0.73980%0.799SS**  95.9134121.3-82.2-176.1173-174.60119.2
1275K36.6Very low33.5Very low192 Ų192172 Ų17284%0.83581%0.809SS**  trans69.7151.1150.5-74.2-174.6170.3-169.30116.6
1276K33.7Very low33.3Very low167 Ų167170.8 Ų170.873%0.72681%0.808SS**  cis-170.8147.8-31-154.2-160.5176-159.50106.3
1277T33.8Very low33.1Very low107 Ų107170.1 Ų170.166%0.65681%0.81SS**  trans46.2102158.243.80000117.5
1278A31Very low33.1Very low173 Ų173170 Ų170100%1.4381%0.812SS**  -87.50101.400000107

Retrieved 1,278 of 1,278 residues in 548 ms (Link to these results)

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