A0A077ZBV2_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZBV2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 259 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
1M61.4Low78.7Confident77 Ų7757.5 Ų57.538%0.37927%0.266SS..  0149.40-159.8154.9-59.300109.5D5 M6 D65 L67 N68M1-D5 HydrophobicContact CG-CB 3.8Å; M1-D5 HydrophobicContact SD-CB 4.04Å; M1-M6 HydrophobicContact CG-CG 4.24Å; M1-M6 HydrophobicContact CG-SD 4.43Å; M1-M6 HydrophobicContact SD-CG 3.97Å; M1-M6 HydrophobicContact SD-SD 3.45Å; M1-D65 WeakPolarHBondContact CA-O 3.37Å; M1-D65 WeakPolarHBondContact CB-O 3.45Å; M1-D65 WeakPolarHBondContact CE-O 3.36Å; M1-D65 PolarHBondContact N-O 3.07Å; M1-L67 VanDerWaalsContact CE-O 3.26Å; M1-L67 WeakPolarHBondContact CE-O 3.05Å; M1-N68 HydrophobicContact CE-CB 3.69Å; M1-N68 VanDerWaalsContact CE-N 3.35Å; M1-N68 HydrophobicContact SD-CB 3.64Å; M1-N68 PolarHBondContact SD-ND2 3.45Å
2R72.2Confident79.2Confident197 Ų19760.3 Ų60.374%0.74328%0.278SS*.  trans-77.2139.3171.4-59-179.6-159.3174.37.1108.1E4 D5R2-E4 PolarHBondContact O-N 3.18Å; R2-E4 VanDerWaalsContact O-N 3.07Å; R2-D5 PolarHBondContact O-N 3.06Å
3E74.7Confident79.5Confident104 Ų10455.6 Ų55.649%0.48626%0.257SS..Hα-helixtrans-46.6-37.3175.9-176.6-173.3146.100112.2D5 M6 K7E3-D5 PolarHBondContact O-N 3.36Å; E3-M6 WeakPolarHBondContact O-CB 3.31Å; E3-M6 PolarHBondContact O-N 2.64Å; E3-K7 PolarHBondContact O-N 3.04Å; E3-K7 WeakPolarHBondContact OE1-CE 3.26Å; E3-K7 IonicContact OE1-NZ 3.6Å; E3-K7 PolarHBondContact OE1-NZ 2.83Å
4E79.3Confident79.5Confident77 Ų7751.7 Ų51.736%0.3624%0.239SC..Hα-helixtrans-62.2-42-179.9-160.563.3-166.900113.8R2 M6 K7 I8 C107R2-E4 PolarHBondContact O-N 3.18Å; R2-E4 VanDerWaalsContact O-N 3.07Å; E4-M6 PolarHBondContact O-N 3.25Å; E4-K7 PolarHBondContact O-N 2.71Å; E4-I8 HydrophobicContact CG-CD1 4.32Å; E4-I8 VanDerWaalsContact O-CG1 3.32Å; E4-I8 WeakPolarHBondContact O-CG1 3.28Å; E4-I8 PolarHBondContact O-N 3.41Å; E4-C107 WeakPolarHBondContact OE1-CB 3.41Å
5D81.5Confident79.4Confident73 Ų7351 Ų5139%0.3924%0.24SC..Hα-helixtrans-63.7-33.7179.8-58.6-35.5000111M1 R2 E3 S9 N68M1-D5 HydrophobicContact CG-CB 3.8Å; M1-D5 HydrophobicContact SD-CB 4.04Å; R2-D5 PolarHBondContact O-N 3.06Å; E3-D5 PolarHBondContact O-N 3.36Å; D5-S9 PolarHBondContact O-N 3.15Å; D5-S9 VanDerWaalsContact O-N 3.12Å; D5-S9 PolarHBondContact O-OG 2.9Å; D5-N68 PolarHBondContact O-ND2 3.26Å
6M81Confident79.4Confident9 Ų948.6 Ų48.64%0.04423%0.228CC..Hα-helixtrans-72.6-45.2176.5-68.6-60.2-46.900111.7M1 E3 E4 I8 S9 I10 F70 Y192M1-M6 HydrophobicContact CG-CG 4.24Å; M1-M6 HydrophobicContact CG-SD 4.43Å; M1-M6 HydrophobicContact SD-CG 3.97Å; M1-M6 HydrophobicContact SD-SD 3.45Å; E3-M6 WeakPolarHBondContact O-CB 3.31Å; E3-M6 PolarHBondContact O-N 2.64Å; E4-M6 PolarHBondContact O-N 3.25Å; M6-I8 VanDerWaalsContact C-N 3.3Å; M6-I8 PolarHBondContact O-N 3.41Å; M6-S9 PolarHBondContact O-N 3.21Å; M6-I10 WeakPolarHBondContact O-CG1 3.15Å; M6-I10 PolarHBondContact O-N 2.94Å; M6-F70 HydrophobicContact CE-CD2 3.16Å; M6-F70 HydrophobicContact CE-CE2 3.57Å; M6-F70 HydrophobicContact CE-CG 4.22Å; M6-Y192 VanDerWaalsContact CB-OH 3.27Å; M6-Y192 WeakPolarHBondContact CB-OH 3.39Å; M6-Y192 HydrophobicContact CE-CE1 4.04Å; M6-Y192 HydrophobicContact CE-CE2 3.8Å; M6-Y192 VanDerWaalsContact CE-CZ 3.46Å; M6-Y192 WeakPolarHBondContact CE-OH 3.36Å; M6-Y192 VanDerWaalsContact CG-OH 3.27Å; M6-Y192 WeakPolarHBondContact CG-OH 3.29Å
7K81.2Confident79.3Confident12 Ų1246.2 Ų46.25%0.05222%0.217CC..Hα-helixtrans-54.4-48.4173.7-76.8-178.6173.5173.10110.7E3 E4 S9 I10 T11 D111 L113 T194E3-K7 PolarHBondContact O-N 3.04Å; E3-K7 WeakPolarHBondContact OE1-CE 3.26Å; E3-K7 IonicContact OE1-NZ 3.6Å; E3-K7 PolarHBondContact OE1-NZ 2.83Å; E4-K7 PolarHBondContact O-N 2.71Å; K7-S9 PolarHBondContact O-N 2.88Å; K7-I10 PolarHBondContact O-N 2.76Å; K7-T11 PolarHBondContact O-N 2.85Å; K7-T11 PolarHBondContact O-OG1 3.28Å; K7-D111 IonicContact NZ-OD1 3.95Å; K7-D111 PolarHBondContact NZ-OD1 3.16Å; K7-L113 HydrophobicContact CB-CD1 4.17Å; K7-L113 HydrophobicContact CG-CD1 4.17Å; K7-T194 HydrophobicContact CG-CG2 3.73Å
8I84.2Confident79Confident56 Ų5651.7 Ų51.729%0.28724%0.236SC..Hα-helixtrans-57.3-50.3177.1-68.7165.5000110.9E4 M6 I10 T11 E12 C107E4-I8 HydrophobicContact CG-CD1 4.32Å; E4-I8 VanDerWaalsContact O-CG1 3.32Å; E4-I8 WeakPolarHBondContact O-CG1 3.28Å; E4-I8 PolarHBondContact O-N 3.41Å; M6-I8 VanDerWaalsContact C-N 3.3Å; M6-I8 PolarHBondContact O-N 3.41Å; I8-I10 VanDerWaalsContact C-N 3.32Å; I8-I10 PolarHBondContact O-N 2.91Å; I8-T11 PolarHBondContact O-N 2.77Å; I8-E12 HydrophobicContact CG2-CG 4.36Å; I8-E12 WeakPolarHBondContact O-CG 3.41Å; I8-E12 PolarHBondContact O-N 3.3Å; I8-C107 HydrophobicContact CG1-CB 4.27Å
9S85.4Confident78.7Confident9 Ų955.1 Ų55.16%0.06325%0.253CS..Hα-helixtrans-66.5-33.9-175.8-59.60000113D5 M6 K7 L13 N68D5-S9 PolarHBondContact O-N 3.15Å; D5-S9 VanDerWaalsContact O-N 3.12Å; D5-S9 PolarHBondContact O-OG 2.9Å; M6-S9 PolarHBondContact O-N 3.21Å; K7-S9 PolarHBondContact O-N 2.88Å; S9-L13 WeakPolarHBondContact O-CB 3.31Å; S9-L13 PolarHBondContact O-N 2.99Å; S9-N68 WeakPolarHBondContact CB-ND2 3.47Å; S9-N68 PolarHBondContact OG-ND2 3.31Å
10I82.7Confident78.7Confident1 Ų154.2 Ų54.21%0.00525%0.25CC..Hα-helixtrans-68.5-47.2173.5-73.9172.8000110.3M6 K7 I8 E12 L13 L14 F70 L113 I116 Y192 T194M6-I10 WeakPolarHBondContact O-CG1 3.15Å; M6-I10 PolarHBondContact O-N 2.94Å; K7-I10 PolarHBondContact O-N 2.76Å; I8-I10 VanDerWaalsContact C-N 3.32Å; I8-I10 PolarHBondContact O-N 2.91Å; I10-E12 VanDerWaalsContact C-N 3.27Å; I10-E12 PolarHBondContact O-N 3.09Å; I10-L13 PolarHBondContact O-N 3.02Å; I10-L14 HydrophobicContact CG2-CD1 3.69Å; I10-L14 HydrophobicContact CG2-CG 4.2Å; I10-L14 VanDerWaalsContact O-CG 3.23Å; I10-L14 WeakPolarHBondContact O-CG 3.47Å; I10-L14 PolarHBondContact O-N 2.74Å; I10-F70 HydrophobicContact CD1-CE2 4.38Å; I10-F70 HydrophobicContact CD1-CZ 4.35Å; I10-F70 HydrophobicContact CG1-CD1 4.09Å; I10-F70 HydrophobicContact CG1-CD2 4.39Å; I10-F70 HydrophobicContact CG1-CE1 4.3Å; I10-F70 HydrophobicContact CG1-CG 4.11Å; I10-F70 HydrophobicContact CG1-CZ 4.48Å; I10-L113 HydrophobicContact CB-CD1 4.2Å; I10-L113 HydrophobicContact CG2-CB 4.45Å; I10-L113 HydrophobicContact CG2-CD1 3.89Å; I10-L113 HydrophobicContact CG2-CD2 3.98Å; I10-L113 HydrophobicContact CG2-CG 4.32Å; I10-I116 HydrophobicContact CB-CD1 4.34Å; I10-I116 HydrophobicContact CD1-CD1 4Å; I10-I116 HydrophobicContact CG1-CD1 3.8Å; I10-I116 HydrophobicContact CG2-CD1 3.73Å; I10-Y192 HydrophobicContact CD1-CD1 3.61Å; I10-Y192 HydrophobicContact CD1-CE1 3.38Å; I10-T194 HydrophobicContact CD1-CG2 3.75Å
11T81.9Confident78.5Confident18 Ų1851.6 Ų51.611%0.1124%0.238CC..Hα-helixtrans-58.5-41.6176-63.70000111.3K7 I8 L14 T15K7-T11 PolarHBondContact O-N 2.85Å; K7-T11 PolarHBondContact O-OG1 3.28Å; I8-T11 PolarHBondContact O-N 2.77Å; T11-L14 PolarHBondContact O-N 2.77Å; T11-T15 VanDerWaalsContact O-CB 3.25Å; T11-T15 WeakPolarHBondContact O-CB 3.18Å; T11-T15 PolarHBondContact O-N 2.85Å; T11-T15 PolarHBondContact O-OG1 3.29Å
12E84.6Confident78.9Confident90 Ų9049.1 Ų49.142%0.42123%0.228SC..Hα-helixtrans-62.2-46.3174.5-75-178.9177.400112.4I8 I10 L14 T15 Y16 M74I8-E12 HydrophobicContact CG2-CG 4.36Å; I8-E12 WeakPolarHBondContact O-CG 3.41Å; I8-E12 PolarHBondContact O-N 3.3Å; I10-E12 VanDerWaalsContact C-N 3.27Å; I10-E12 PolarHBondContact O-N 3.09Å; E12-L14 PolarHBondContact O-N 3.18Å; E12-T15 PolarHBondContact O-N 3.21Å; E12-Y16 WeakPolarHBondContact O-CB 3.35Å; E12-Y16 PolarHBondContact O-N 3.33Å; E12-M74 HydrophobicContact CB-SD 4.01Å
13L83.5Confident78.9Confident0 Ų046 Ų460%022%0.216CC..Hα-helixtrans-58-50176.8171.963.7000111.2S9 I10 T15 Y16 I17 F70 F73 M74 L77S9-L13 WeakPolarHBondContact O-CB 3.31Å; S9-L13 PolarHBondContact O-N 2.99Å; I10-L13 PolarHBondContact O-N 3.02Å; L13-T15 VanDerWaalsContact C-N 3.33Å; L13-T15 PolarHBondContact O-N 3.04Å; L13-Y16 PolarHBondContact O-N 2.9Å; L13-I17 HydrophobicContact CD1-CD1 3.83Å; L13-I17 HydrophobicContact CD1-CG1 4.3Å; L13-I17 HydrophobicContact CG-CD1 4.02Å; L13-I17 WeakPolarHBondContact O-CG1 3.47Å; L13-I17 PolarHBondContact O-N 2.92Å; L13-F70 HydrophobicContact CD2-CD1 3.84Å; L13-F70 HydrophobicContact CD2-CE1 4.46Å; L13-F73 HydrophobicContact CD1-CD1 4.47Å; L13-F73 HydrophobicContact CD2-CD1 4.08Å; L13-F73 HydrophobicContact CD2-CE1 4.21Å; L13-M74 HydrophobicContact CD1-CB 4.39Å; L13-L77 HydrophobicContact CD1-CD1 3.68Å
14L78.9Confident78.8Confident1 Ų141.1 Ų41.11%0.00519%0.194CC..Hα-helixtrans-65.7-38.7-178.5-61.9171.9000111.2I10 T11 E12 I17 Y18 I30 W92 L95 L113 P114I10-L14 HydrophobicContact CG2-CD1 3.69Å; I10-L14 HydrophobicContact CG2-CG 4.2Å; I10-L14 VanDerWaalsContact O-CG 3.23Å; I10-L14 WeakPolarHBondContact O-CG 3.47Å; I10-L14 PolarHBondContact O-N 2.74Å; T11-L14 PolarHBondContact O-N 2.77Å; E12-L14 PolarHBondContact O-N 3.18Å; L14-I17 PolarHBondContact O-N 3.08Å; L14-Y18 WeakPolarHBondContact O-CB 3.35Å; L14-Y18 PolarHBondContact O-N 2.66Å; L14-I30 HydrophobicContact CD2-CD1 3.47Å; L14-I30 VanDerWaalsContact CD2-CD1 3.47Å; L14-W92 HydrophobicContact CB-CE3 4.4Å; L14-W92 HydrophobicContact CB-CH2 3.38Å; L14-W92 HydrophobicContact CB-CZ2 4.07Å; L14-W92 HydrophobicContact CB-CZ3 3.58Å; L14-W92 HydrophobicContact CD1-CH2 3.63Å; L14-W92 HydrophobicContact CD1-CZ2 3.71Å; L14-W92 HydrophobicContact CD2-CZ2 4.36Å; L14-W92 HydrophobicContact CG-CH2 4.01Å; L14-W92 HydrophobicContact CG-CZ2 4.26Å; L14-L95 HydrophobicContact CD1-CD1 4.4Å; L14-L113 HydrophobicContact CD1-CD2 3.99Å; L14-P114 HydrophobicContact CD1-CG 4.49Å
15T78.8Confident78.3Confident41 Ų4143.1 Ų43.125%0.25220%0.203SC..Hα-helixtrans-64.4-42.7174.8-58.50000111.5T11 E12 L13 Y18 Q19T11-T15 VanDerWaalsContact O-CB 3.25Å; T11-T15 WeakPolarHBondContact O-CB 3.18Å; T11-T15 PolarHBondContact O-N 2.85Å; T11-T15 PolarHBondContact O-OG1 3.29Å; E12-T15 PolarHBondContact O-N 3.21Å; L13-T15 VanDerWaalsContact C-N 3.33Å; L13-T15 PolarHBondContact O-N 3.04Å; T15-Y18 PolarHBondContact O-N 3.02Å; T15-Q19 HydrophobicContact CG2-CG 4.3Å; T15-Q19 WeakPolarHBondContact O-CB 3.3Å; T15-Q19 WeakPolarHBondContact O-CG 3.29Å; T15-Q19 PolarHBondContact O-N 3.45Å
16Y79.4Confident77.9Confident13 Ų1342.3 Ų42.35%0.05120%0.202CC..Hα-helixtrans-60.4-48.6176.2169.8-99.1000111.5E12 L13 Y18 Q19 D20 G21 S24 I28 L77 K78E12-Y16 WeakPolarHBondContact O-CB 3.35Å; E12-Y16 PolarHBondContact O-N 3.33Å; L13-Y16 PolarHBondContact O-N 2.9Å; Y16-Y18 VanDerWaalsContact C-N 3.29Å; Y16-Y18 PolarHBondContact O-N 2.91Å; Y16-Q19 PolarHBondContact O-N 2.92Å; Y16-D20 HydrophobicContact CD2-CB 4Å; Y16-D20 HydrophobicContact CE2-CB 3.76Å; Y16-D20 WeakPolarHBondContact O-CA 3.19Å; Y16-D20 PolarHBondContact O-N 2.88Å; Y16-G21 PolarHBondContact O-N 2.61Å; Y16-S24 PolarHBondContact OH-OG 2.8Å; Y16-I28 HydrophobicContact CE1-CD1 4.43Å; Y16-L77 HydrophobicContact CE1-CB 4.13Å; Y16-K78 HydrophobicContact CD2-CG 4.21Å; Y16-K78 HydrophobicContact CE2-CG 3.79Å
17I77.3Confident77.5Confident8 Ų842.1 Ų42.14%0.04120%0.201CC..Hα-helixtrans-60.3-42.8178.9-66.6167.1000110.3L13 L14 G21 I28 I30 V221L13-I17 HydrophobicContact CD1-CD1 3.83Å; L13-I17 HydrophobicContact CD1-CG1 4.3Å; L13-I17 HydrophobicContact CG-CD1 4.02Å; L13-I17 WeakPolarHBondContact O-CG1 3.47Å; L13-I17 PolarHBondContact O-N 2.92Å; L14-I17 PolarHBondContact O-N 3.08Å; I17-G21 VanDerWaalsContact O-CA 3.22Å; I17-G21 WeakPolarHBondContact O-CA 3.38Å; I17-G21 PolarHBondContact O-N 3.07Å; I17-I28 HydrophobicContact CD1-CG2 4.27Å; I17-I28 HydrophobicContact CG1-CG2 3.98Å; I17-I30 HydrophobicContact CB-CD1 4.14Å; I17-I30 HydrophobicContact CD1-CD1 3.84Å; I17-I30 HydrophobicContact CD1-CG1 3.95Å; I17-I30 HydrophobicContact CG2-CD1 3.85Å; I17-I30 HydrophobicContact CG2-CG1 4.06Å; I17-V221 HydrophobicContact CD1-CG1 3.82Å; I17-V221 HydrophobicContact CD1-CG2 3.9Å
18Y73.5Confident77.3Confident144 Ų14441.6 Ų41.657%0.56520%0.199SC*.Hα-helixtrans-63.1-42.9177.6174.7-105.1000113.6L14 T15 Y16L14-Y18 WeakPolarHBondContact O-CB 3.35Å; L14-Y18 PolarHBondContact O-N 2.66Å; T15-Y18 PolarHBondContact O-N 3.02Å; Y16-Y18 VanDerWaalsContact C-N 3.29Å; Y16-Y18 PolarHBondContact O-N 2.91Å
19Q74.7Confident76.9Confident117 Ų11739.1 Ų39.155%0.54719%0.187SC..Hα-helixtrans-87-37.9-173.2-67.2-178.9-12.900113.7T15 Y16T15-Q19 HydrophobicContact CG2-CG 4.3Å; T15-Q19 WeakPolarHBondContact O-CB 3.3Å; T15-Q19 WeakPolarHBondContact O-CG 3.29Å; T15-Q19 PolarHBondContact O-N 3.45Å; Y16-Q19 PolarHBondContact O-N 2.92Å
20D77.2Confident76.4Confident37 Ų3739.8 Ų39.820%0.19819%0.19CC..Hα-helixtrans-129.7-0.4-168-73.2-39.3000113.4Y16 S22 R23 S24Y16-D20 HydrophobicContact CD2-CB 4Å; Y16-D20 HydrophobicContact CE2-CB 3.76Å; Y16-D20 WeakPolarHBondContact O-CA 3.19Å; Y16-D20 PolarHBondContact O-N 2.88Å; D20-S22 VanDerWaalsContact C-N 3.3Å; D20-S22 PolarHBondContact O-N 3.49Å; D20-R23 WeakPolarHBondContact O-CA 3.36Å; D20-R23 WeakPolarHBondContact O-CB 3.36Å; D20-R23 PolarHBondContact O-N 2.83Å; D20-R23 WeakPolarHBondContact OD1-CD 3.32Å; D20-R23 IonicContact OD1-CZ 3.55Å; D20-R23 IonicContact OD1-NE 3.73Å; D20-R23 IonicContact OD1-NH1 3.27Å; D20-R23 PolarHBondContact OD1-NH1 2.84Å; D20-S24 PolarHBondContact O-N 2.9Å
21G74.6Confident75.8Confident0 Ų039.9 Ų39.90%019%0.191CC..G310 helixtrans-54.5-42.4-17900000113.3Y16 I17 R23 S24 N27 I28Y16-G21 PolarHBondContact O-N 2.61Å; I17-G21 VanDerWaalsContact O-CA 3.22Å; I17-G21 WeakPolarHBondContact O-CA 3.38Å; I17-G21 PolarHBondContact O-N 3.07Å; G21-R23 PolarHBondContact O-N 3.05Å; G21-S24 WeakPolarHBondContact O-CB 3.26Å; G21-S24 PolarHBondContact O-N 3.25Å; G21-N27 WeakPolarHBondContact O-CA 3.4Å; G21-I28 CarbonylContact C-O 3Å; G21-I28 VanDerWaalsContact CA-O 3.31Å; G21-I28 WeakPolarHBondContact CA-O 3.47Å; G21-I28 PolarHBondContact O-N 3.21Å
22S70.4Confident75.3Confident24 Ų2440.9 Ų40.917%0.16820%0.201CC..G310 helixtrans-74.3-0.417547.60000116.2D20 N27 C87D20-S22 VanDerWaalsContact C-N 3.3Å; D20-S22 PolarHBondContact O-N 3.49Å; S22-N27 PolarHBondContact O-OD1 3.44Å; S22-N27 VanDerWaalsContact O-OD1 3.07Å; S22-C87 WeakPolarHBondContact CB-O 3.32Å
23R71.1Confident74.4Confident132 Ų13237.3 Ų37.350%0.49818%0.184SC..G310 helixtrans-105.41.8174.2-57.3175.5178.4169.1-5.9111.6D20 G21 G82D20-R23 WeakPolarHBondContact O-CA 3.36Å; D20-R23 WeakPolarHBondContact O-CB 3.36Å; D20-R23 PolarHBondContact O-N 2.83Å; D20-R23 WeakPolarHBondContact OD1-CD 3.32Å; D20-R23 IonicContact OD1-CZ 3.55Å; D20-R23 IonicContact OD1-NE 3.73Å; D20-R23 IonicContact OD1-NH1 3.27Å; D20-R23 PolarHBondContact OD1-NH1 2.84Å; G21-R23 PolarHBondContact O-N 3.05Å; R23-G82 PolarHBondContact O-N 3.15Å
24S73.1Confident73.2Confident2 Ų238.6 Ų38.61%0.01419%0.192CC..BIsolated β-bridgetrans-86.8154.7174.2-55.80000109.4Y16 D20 G21 P26 N27 R80Y16-S24 PolarHBondContact OH-OG 2.8Å; D20-S24 PolarHBondContact O-N 2.9Å; G21-S24 WeakPolarHBondContact O-CB 3.26Å; G21-S24 PolarHBondContact O-N 3.25Å; S24-P26 VanDerWaalsContact C-C 3.41Å; S24-P26 CarbonylContact C-O 3.56Å; S24-P26 WeakPolarHBondContact CB-O 2.99Å; S24-P26 CarbonylContact O-C 3.51Å; S24-N27 VanDerWaalsContact O-CA 3.23Å; S24-N27 WeakPolarHBondContact O-CA 3.29Å; S24-N27 PolarHBondContact O-N 3.49Å; S24-N27 PolarHBondContact O-OD1 2.62Å; S24-R80 CarbonylContact C-O 3.51Å; S24-R80 WeakPolarHBondContact CA-O 3.33Å
25E69.5Low72.4Confident119 Ų11939 Ų3956%0.55620%0.196SC*.SBendtrans-125.6114.3174.7-174.6173.3-178.800109.8R80 G82E25-R80 PolarHBondContact N-O 3.46Å; E25-G82 WeakPolarHBondContact OE2-CA 3.46Å
26P72.4Confident71.2Confident56 Ų5638.8 Ų38.836%0.36420%0.196SC..SBendcis-59.4160.9-11.228.8-36.2000111.5S24 P223 D224S24-P26 VanDerWaalsContact C-C 3.41Å; S24-P26 CarbonylContact C-O 3.56Å; S24-P26 WeakPolarHBondContact CB-O 2.99Å; S24-P26 CarbonylContact O-C 3.51Å; P26-P223 HydrophobicContact CB-CB 3.99Å; P26-P223 HydrophobicContact CG-CB 3.4Å; P26-P223 VanDerWaalsContact CG-CB 3.4Å; P26-D224 VanDerWaalsContact CB-O 3.29Å; P26-D224 WeakPolarHBondContact CB-O 3.39Å
27N73.6Confident69.7Low5 Ų540.1 Ų40.13%0.02720%0.204CC..EExtended strand (participates in β ladder)trans-55.8155.9174.6-74.4-17.1000110.3G21 S22 S24 C87 P223 D224 C226G21-N27 WeakPolarHBondContact O-CA 3.4Å; S22-N27 PolarHBondContact O-OD1 3.44Å; S22-N27 VanDerWaalsContact O-OD1 3.07Å; S24-N27 VanDerWaalsContact O-CA 3.23Å; S24-N27 WeakPolarHBondContact O-CA 3.29Å; S24-N27 PolarHBondContact O-N 3.49Å; S24-N27 PolarHBondContact O-OD1 2.62Å; N27-C87 WeakPolarHBondContact ND2-CB 3.27Å; N27-P223 CarbonylContact O-C 3.56Å; N27-P223 WeakPolarHBondContact O-CA 3.47Å; N27-D224 HydrophobicContact CB-CB 3.69Å; N27-D224 WeakPolarHBondContact CB-OD2 3.43Å; N27-D224 PolarHBondContact N-O 2.75Å; N27-D224 PolarHBondContact ND2-OD2 2.85Å; N27-D224 PolarHBondContact O-N 3.04Å; N27-C226 PolarHBondContact ND2-SG 3.48Å
28I76.5Confident68.3Low0 Ų046.1 Ų46.10%023%0.227CC..EExtended strand (participates in β ladder)trans-123129.4179.3-59.3163.8000109.4Y16 I17 G21 L77 V221 Y222Y16-I28 HydrophobicContact CE1-CD1 4.43Å; I17-I28 HydrophobicContact CD1-CG2 4.27Å; I17-I28 HydrophobicContact CG1-CG2 3.98Å; G21-I28 CarbonylContact C-O 3Å; G21-I28 VanDerWaalsContact CA-O 3.31Å; G21-I28 WeakPolarHBondContact CA-O 3.47Å; G21-I28 PolarHBondContact O-N 3.21Å; I28-L77 HydrophobicContact CD1-CB 3.83Å; I28-L77 HydrophobicContact CD1-CD1 4.26Å; I28-L77 HydrophobicContact CD1-CD2 3.76Å; I28-L77 HydrophobicContact CD1-CG 4.12Å; I28-L77 HydrophobicContact CG2-CD1 4.46Å; I28-V221 HydrophobicContact CG2-CG1 3.53Å; I28-Y222 WeakPolarHBondContact CA-O 3.4Å
29G75.1Confident66.9Low4 Ų450.4 Ų50.44%0.04124%0.242CC..EExtended strand (participates in β ladder)trans-129.3-177177.500000113.3V221 Y222G29-V221 WeakPolarHBondContact O-CA 3.45Å; G29-Y222 PolarHBondContact N-O 2.9Å; G29-Y222 PolarHBondContact O-N 3.08Å; G29-Y222 VanDerWaalsContact O-N 3.09Å
30I74.6Confident65.4Low23 Ų2350 Ų5012%0.11824%0.236CC..EExtended strand (participates in β ladder)trans-129.5131.5176.8-80.2158.2000109.2L14 I17 V219 M220L14-I30 HydrophobicContact CD2-CD1 3.47Å; L14-I30 VanDerWaalsContact CD2-CD1 3.47Å; I17-I30 HydrophobicContact CB-CD1 4.14Å; I17-I30 HydrophobicContact CD1-CD1 3.84Å; I17-I30 HydrophobicContact CD1-CG1 3.95Å; I17-I30 HydrophobicContact CG2-CD1 3.85Å; I17-I30 HydrophobicContact CG2-CG1 4.06Å; I30-V219 HydrophobicContact CB-CG1 4.25Å; I30-V219 HydrophobicContact CD1-CG1 4.46Å; I30-V219 HydrophobicContact CG1-CG1 3.98Å; I30-V219 HydrophobicContact CG2-CB 4.19Å; I30-V219 HydrophobicContact CG2-CG1 3.39Å; I30-V219 HydrophobicContact CG2-CG2 3.88Å; I30-M220 CarbonylContact C-O 3.56Å; I30-M220 WeakPolarHBondContact CA-O 3.33Å
31A70.6Confident63.9Low4 Ų453.7 Ų53.73%0.03326%0.256CS..EExtended strand (participates in β ladder)trans-103.8122.2169.800000109A50 V219 M220 Y222A31-A50 HydrophobicContact CB-CB 4.21Å; A31-V219 WeakPolarHBondContact O-CA 3.28Å; A31-M220 PolarHBondContact N-O 3.19Å; A31-M220 PolarHBondContact O-N 3.49Å; A31-Y222 HydrophobicContact CB-CD1 3.87Å; A31-Y222 HydrophobicContact CB-CE1 3.77Å; A31-Y222 VanDerWaalsContact N-CE1 3.32Å
32A71Confident63.1Low39 Ų3954.9 Ų54.932%0.32226%0.264SS..EExtended strand (participates in β ladder)trans-103.3136.317700000110.6K218 V219A32-K218 WeakPolarHBondContact CA-O 3.25Å; A32-V219 HydrophobicContact CB-CG2 4.3Å
33F66.4Low62.4Low15 Ų1554.3 Ų54.37%0.06626%0.26CS..EExtended strand (participates in β ladder)trans-145.9147.6-179.356.6-86.4000112.4A35 P43 E46 V117 Y217 K218 M220F33-A35 PolarHBondContact O-N 2.86Å; F33-P43 HydrophobicContact CE1-CB 4.38Å; F33-P43 HydrophobicContact CE2-CB 4.22Å; F33-P43 HydrophobicContact CE2-CG 4.25Å; F33-P43 HydrophobicContact CZ-CB 3.94Å; F33-P43 HydrophobicContact CZ-CG 4.33Å; F33-E46 HydrophobicContact CB-CB 4.25Å; F33-E46 HydrophobicContact CB-CG 3.81Å; F33-E46 HydrophobicContact CD1-CB 4.46Å; F33-E46 HydrophobicContact CG-CG 4.32Å; F33-V117 HydrophobicContact CZ-CG2 3.89Å; F33-Y217 CarbonylContact O-C 3.47Å; F33-Y217 WeakPolarHBondContact O-CA 3.44Å; F33-Y217 WeakPolarHBondContact O-CB 3.36Å; F33-K218 HydrophobicContact CD2-CB 4.24Å; F33-K218 HydrophobicContact CE1-CB 4.08Å; F33-K218 HydrophobicContact CE2-CB 3.66Å; F33-K218 HydrophobicContact CE2-CD 3.98Å; F33-K218 HydrophobicContact CE2-CG 4.17Å; F33-K218 HydrophobicContact CZ-CB 3.57Å; F33-K218 HydrophobicContact CZ-CD 4.27Å; F33-K218 HydrophobicContact CZ-CG 4.46Å; F33-K218 PolarHBondContact N-O 3.45Å; F33-K218 PolarHBondContact O-N 3.21Å; F33-M220 HydrophobicContact CE1-CE 4.48Å; F33-M220 HydrophobicContact CE1-CG 3.94Å; F33-M220 HydrophobicContact CE1-SD 4.16Å; F33-M220 HydrophobicContact CZ-CE 4.21Å; F33-M220 HydrophobicContact CZ-CG 4.43Å; F33-M220 HydrophobicContact CZ-SD 4.48Å
34P59.5Low61.9Low26 Ų2649.8 Ų49.817%0.16925%0.245CC..EExtended strand (participates in β ladder)trans-63.1132.8177.713.3-17.6000111.7S36 N37 N216 Y244P34-S36 VanDerWaalsContact C-N 3.27Å; P34-S36 PolarHBondContact O-N 3.29Å; P34-N37 HydrophobicContact CB-CB 4.09Å; P34-N37 HydrophobicContact CG-CB 3.84Å; P34-N37 WeakPolarHBondContact CG-ND2 3.44Å; P34-N216 CarbonylContact C-O 3.6Å; P34-N216 WeakPolarHBondContact CA-O 3.43Å; P34-Y244 HydrophobicContact CB-CD1 4.28Å; P34-Y244 HydrophobicContact CB-CE1 4.4Å; P34-Y244 HydrophobicContact CG-CD1 4.47Å; P34-Y244 HydrophobicContact CG-CE1 4.1Å
35A60.6Low61.3Low11 Ų1155.6 Ų55.69%0.09127%0.267CS..THydrogen-bonded Turntrans-68-28-177.100000112.9F33 D215 N216 K218F33-A35 PolarHBondContact O-N 2.86Å; A35-D215 WeakPolarHBondContact CB-O 3.25Å; A35-N216 VanDerWaalsContact CB-C 3.48Å; A35-N216 PolarHBondContact N-O 3.18Å; A35-K218 HydrophobicContact CB-CG 4.06Å
36S54.3Low60.7Low36 Ų3652.2 Ų52.225%0.25225%0.251SS..THydrogen-bonded Turntrans-103.314.5-173.159.40000114.2P34 Y38P34-S36 VanDerWaalsContact C-N 3.27Å; P34-S36 PolarHBondContact O-N 3.29Å; S36-Y38 VanDerWaalsContact C-N 3.34Å; S36-Y38 WeakPolarHBondContact O-CD2 3.32Å; S36-Y38 WeakPolarHBondContact O-CE2 3.28Å; S36-Y38 PolarHBondContact O-N 3.38Å; S36-Y38 VanDerWaalsContact O-N 3.08Å
37N47.8Very low60.1Low40 Ų4049.5 Ų49.521%0.21423%0.234CC..  trans-93.770.8-175.5-122.6-19.1000111.7P34 R39 Y40P34-N37 HydrophobicContact CB-CB 4.09Å; P34-N37 HydrophobicContact CG-CB 3.84Å; P34-N37 WeakPolarHBondContact CG-ND2 3.44Å; N37-R39 PolarHBondContact O-N 3.15Å; N37-Y40 HydrophobicContact CB-CD2 3.36Å; N37-Y40 HydrophobicContact CB-CE2 3.57Å; N37-Y40 HydrophobicContact CB-CG 4.3Å; N37-Y40 VanDerWaalsContact CG-CD2 3.42Å; N37-Y40 WeakPolarHBondContact ND2-CE2 3.4Å; N37-Y40 WeakPolarHBondContact O-CD2 3.4Å; N37-Y40 PolarHBondContact O-N 3.43Å; N37-Y40 WeakPolarHBondContact OD1-CE2 3.44Å
38Y48.4Very low59.5Low135 Ų13554 Ų5453%0.52925%0.254SS..THydrogen-bonded Turntrans-55.5-5.6-177.5-61.5-86.3000116.1S36 T204 Q213S36-Y38 VanDerWaalsContact C-N 3.34Å; S36-Y38 WeakPolarHBondContact O-CD2 3.32Å; S36-Y38 WeakPolarHBondContact O-CE2 3.28Å; S36-Y38 PolarHBondContact O-N 3.38Å; S36-Y38 VanDerWaalsContact O-N 3.08Å; Y38-T204 WeakPolarHBondContact CD1-O 3.2Å; Y38-T204 WeakPolarHBondContact CE1-O 3.21Å; Y38-Q213 PolarHBondContact OH-OE1 2.8Å
39R43Very low58.3Low234 Ų23459.5 Ų59.588%0.88328%0.284SS*.THydrogen-bonded Turntrans-99.5-7.7177.4-70.4-174.2176.9-175.2-0113.8N37N37-R39 PolarHBondContact O-N 3.15Å
40Y42.9Very low57.3Low108 Ų10859.9 Ų59.942%0.42429%0.286SS..SBendtrans-82.8132.6-174.3-74.1-106.1000110.7N37 S42 E46N37-Y40 HydrophobicContact CB-CD2 3.36Å; N37-Y40 HydrophobicContact CB-CE2 3.57Å; N37-Y40 HydrophobicContact CB-CG 4.3Å; N37-Y40 VanDerWaalsContact CG-CD2 3.42Å; N37-Y40 WeakPolarHBondContact ND2-CE2 3.4Å; N37-Y40 WeakPolarHBondContact O-CD2 3.4Å; N37-Y40 PolarHBondContact O-N 3.43Å; N37-Y40 WeakPolarHBondContact OD1-CE2 3.44Å; Y40-S42 VanDerWaalsContact C-N 3.35Å; Y40-S42 PolarHBondContact O-N 2.89Å; Y40-E46 VanDerWaalsContact CD1-OE1 3.25Å; Y40-E46 WeakPolarHBondContact CD1-OE1 3.48Å
41L47.3Very low55.7Low115 Ų11561.8 Ų61.860%0.60229%0.292SS*.SBendtrans-70.885.9-178.7-78.8160.4000109.8R45L41-R45 VanDerWaalsContact O-CB 3.3Å; L41-R45 WeakPolarHBondContact O-CB 3.45Å; L41-R45 WeakPolarHBondContact O-CG 3.31Å
42S57.6Low54.6Low25 Ų2561.9 Ų61.918%0.17529%0.293CS..Hα-helixtrans60.1137.3175.7-173.40000114.9Y40 L44 R45Y40-S42 VanDerWaalsContact C-N 3.35Å; Y40-S42 PolarHBondContact O-N 2.89Å; S42-L44 PolarHBondContact O-N 3.03Å; S42-L44 VanDerWaalsContact OG-CB 3.28Å; S42-L44 WeakPolarHBondContact OG-CB 3.5Å; S42-L44 WeakPolarHBondContact OG-CD1 3.04Å; S42-L44 VanDerWaalsContact OG-CG 3.27Å; S42-L44 WeakPolarHBondContact OG-CG 3.23Å; S42-L44 PolarHBondContact OG-N 3.1Å; S42-R45 PolarHBondContact O-N 3.27Å
43P55.6Low53.9Low12 Ų1265 Ų658%0.07830%0.304CS..Hα-helixtrans-49.6-21.6167.8-27.235.8000113.9F33 E46 C47 L189 M220F33-P43 HydrophobicContact CE1-CB 4.38Å; F33-P43 HydrophobicContact CE2-CB 4.22Å; F33-P43 HydrophobicContact CE2-CG 4.25Å; F33-P43 HydrophobicContact CZ-CB 3.94Å; F33-P43 HydrophobicContact CZ-CG 4.33Å; P43-E46 WeakPolarHBondContact O-CB 3.03Å; P43-E46 PolarHBondContact O-N 3.05Å; P43-C47 PolarHBondContact O-N 3.41Å; P43-L189 HydrophobicContact CG-CD1 3.79Å; P43-L189 HydrophobicContact CG-CD2 3.89Å; P43-L189 HydrophobicContact CG-CG 4.48Å; P43-M220 HydrophobicContact CB-CE 3.37Å; P43-M220 HydrophobicContact CB-SD 3.83Å; P43-M220 HydrophobicContact CG-CE 4.15Å
44L59.5Low53.7Low36 Ų3664.7 Ų64.719%0.18831%0.305CS..Hα-helixtrans-49.2-52.5169.4-81.7175.1000114.8S42 E46 C47 E48 P56 Y141S42-L44 PolarHBondContact O-N 3.03Å; S42-L44 VanDerWaalsContact OG-CB 3.28Å; S42-L44 WeakPolarHBondContact OG-CB 3.5Å; S42-L44 WeakPolarHBondContact OG-CD1 3.04Å; S42-L44 VanDerWaalsContact OG-CG 3.27Å; S42-L44 WeakPolarHBondContact OG-CG 3.23Å; S42-L44 PolarHBondContact OG-N 3.1Å; L44-E46 PolarHBondContact O-N 3.19Å; L44-C47 PolarHBondContact O-N 3.34Å; L44-C47 VanDerWaalsContact O-N 3.09Å; L44-E48 WeakPolarHBondContact O-CG 3.46Å; L44-E48 PolarHBondContact O-N 2.99Å; L44-P56 HydrophobicContact CD2-CG 4.26Å; L44-Y141 HydrophobicContact CD1-CE1 3.59Å; L44-Y141 WeakPolarHBondContact CD1-OH 3.24Å; L44-Y141 HydrophobicContact CD2-CD1 3.32Å; L44-Y141 HydrophobicContact CD2-CD2 3.87Å; L44-Y141 HydrophobicContact CD2-CE1 3Å; L44-Y141 HydrophobicContact CD2-CE2 3.52Å; L44-Y141 HydrophobicContact CD2-CG 3.79Å; L44-Y141 HydrophobicContact CG-CD1 4.4Å; L44-Y141 HydrophobicContact CG-CE1 3.62Å; L44-Y141 HydrophobicContact CG-CE2 4.02Å; L44-Y141 WeakPolarHBondContact CG-OH 3.2Å
45R60.5Low54.2Low124 Ų12468 Ų6847%0.46832%0.318SS..Hα-helixtrans-67.6-22.1-175.8-80.7-164.6175.2-168.3-2.6111.2L41 S42 N49L41-R45 VanDerWaalsContact O-CB 3.3Å; L41-R45 WeakPolarHBondContact O-CB 3.45Å; L41-R45 WeakPolarHBondContact O-CG 3.31Å; S42-R45 PolarHBondContact O-N 3.27Å; R45-N49 WeakPolarHBondContact O-CA 3.4Å; R45-N49 WeakPolarHBondContact O-CB 3.33Å; R45-N49 PolarHBondContact O-N 2.84Å; R45-N49 PolarHBondContact O-ND2 3.22Å
46E58Low55Low48 Ų4867.6 Ų67.622%0.22432%0.315CS..Hα-helixtrans-71-33.8175.5-58.1-60.3140.700111.3F33 Y40 P43 L44 A50F33-E46 HydrophobicContact CB-CB 4.25Å; F33-E46 HydrophobicContact CB-CG 3.81Å; F33-E46 HydrophobicContact CD1-CB 4.46Å; F33-E46 HydrophobicContact CG-CG 4.32Å; Y40-E46 VanDerWaalsContact CD1-OE1 3.25Å; Y40-E46 WeakPolarHBondContact CD1-OE1 3.48Å; P43-E46 WeakPolarHBondContact O-CB 3.03Å; P43-E46 PolarHBondContact O-N 3.05Å; L44-E46 PolarHBondContact O-N 3.19Å; E46-A50 WeakPolarHBondContact O-CA 3.49Å; E46-A50 WeakPolarHBondContact O-CB 3.42Å; E46-A50 PolarHBondContact O-N 2.85Å
47C60.2Low56.3Low0 Ų066.1 Ų66.10%030%0.304CS..Hα-helixtrans-76.5-37.2171.8-63.40000112P43 L44 N49 G54 P56P43-C47 PolarHBondContact O-N 3.41Å; L44-C47 PolarHBondContact O-N 3.34Å; L44-C47 VanDerWaalsContact O-N 3.09Å; C47-N49 VanDerWaalsContact C-N 3.32Å; C47-G54 CarbonylContact C-O 3.58Å; C47-G54 WeakPolarHBondContact CB-O 3.49Å; C47-G54 PolarHBondContact O-N 2.98Å; C47-P56 HydrophobicContact CB-CG 4.15Å
48E59.2Low58Low99 Ų9965 Ų6546%0.46330%0.302SS..Hα-helixtrans-70.7-26176.4-65.9171.3172.800113L44 N53L44-E48 WeakPolarHBondContact O-CG 3.46Å; L44-E48 PolarHBondContact O-N 2.99Å; E48-N53 PolarHBondContact O-OD1 3.4Å
49N52.2Low59.8Low116 Ų11659.4 Ų59.462%0.6228%0.28SS*.Hα-helixtrans-101.7-9176.1-63.2-50.6000113R45 C47R45-N49 WeakPolarHBondContact O-CA 3.4Å; R45-N49 WeakPolarHBondContact O-CB 3.33Å; R45-N49 PolarHBondContact O-N 2.84Å; R45-N49 PolarHBondContact O-ND2 3.22Å; C47-N49 VanDerWaalsContact C-N 3.32Å
50A53.9Low62Low11 Ų1149.8 Ų49.89%0.09125%0.246CC..SBendtrans-64.8140.4167.100000107.2A31 E46 P52 N53 Y222A31-A50 HydrophobicContact CB-CB 4.21Å; E46-A50 WeakPolarHBondContact O-CA 3.49Å; E46-A50 WeakPolarHBondContact O-CB 3.42Å; E46-A50 PolarHBondContact O-N 2.85Å; A50-P52 CarbonylContact C-O 3.59Å; A50-P52 CarbonylContact O-C 3.51Å; A50-N53 WeakPolarHBondContact O-CA 3.46Å; A50-N53 PolarHBondContact O-N 2.85Å; A50-N53 VanDerWaalsContact O-N 3.07Å; A50-N53 PolarHBondContact O-OD1 3.49Å; A50-Y222 HydrophobicContact CB-CE1 4.16Å
51Y41.5Very low64.2Low63 Ų6344.9 Ų44.925%0.24723%0.227CC..SBendtrans-101130.6169.7-175.3-92.4000108.7Q90 D230 F234Y51-Q90 WeakPolarHBondContact O-CG 3.39Å; Y51-Q90 PolarHBondContact O-NE2 2.83Å; Y51-D230 PolarHBondContact OH-O 3.28Å; Y51-F234 AromaticContact CD1-CD2 3.82Å; Y51-F234 HydrophobicContact CD1-CD2 3.82Å; Y51-F234 HydrophobicContact CD1-CE2 4.29Å; Y51-F234 HydrophobicContact CD2-CD2 4.3Å; Y51-F234 AromaticContact CD2-CE2 3.94Å; Y51-F234 HydrophobicContact CD2-CE2 3.94Å; Y51-F234 HydrophobicContact CE1-CD2 4.11Å; Y51-F234 HydrophobicContact CE2-CE2 4.18Å; Y51-F234 AromaticContact CG-CD2 3.9Å; Y51-F234 HydrophobicContact CG-CD2 3.9Å; Y51-F234 AromaticContact CG-CE2 3.99Å; Y51-F234 HydrophobicContact CG-CE2 3.99Å
52P47.6Very low66.2Low7 Ų742 Ų425%0.04521%0.209CC..SBendcis-72.6153.7-7.928.1-32.5000112.3A50 G54 Y222 D224A50-P52 CarbonylContact C-O 3.59Å; A50-P52 CarbonylContact O-C 3.51Å; P52-G54 PolarHBondContact O-N 3.22Å; P52-Y222 WeakPolarHBondContact O-CE2 3.36Å; P52-Y222 PolarHBondContact O-OH 3.23Å; P52-D224 HydrophobicContact CB-CB 4.35Å; P52-D224 VanDerWaalsContact CB-CG 3.48Å; P52-D224 WeakPolarHBondContact CB-OD1 3.04Å; P52-D224 HydrophobicContact CG-CB 3.7Å; P52-D224 WeakPolarHBondContact CG-OD1 3.47Å; P52-D224 WeakPolarHBondContact CG-OD2 3.36Å
53N55.5Low67.4Low103 Ų10341.6 Ų41.655%0.55121%0.206SC*.PPolyproline II helixtrans-65.4129.9-175.6-62-10.8000109E48 A50E48-N53 PolarHBondContact O-OD1 3.4Å; A50-N53 WeakPolarHBondContact O-CA 3.46Å; A50-N53 PolarHBondContact O-N 2.85Å; A50-N53 VanDerWaalsContact O-N 3.07Å; A50-N53 PolarHBondContact O-OD1 3.49Å
54G62.5Low68.6Low9 Ų946.2 Ų46.29%0.09323%0.225CC..BIsolated β-bridgetrans-142.6173.2-176.900000114.5C47 P52 P223C47-G54 CarbonylContact C-O 3.58Å; C47-G54 WeakPolarHBondContact CB-O 3.49Å; C47-G54 PolarHBondContact O-N 2.98Å; P52-G54 PolarHBondContact O-N 3.22Å; G54-P223 WeakPolarHBondContact CA-O 2.86Å
55Q70Confident69.4Low96 Ų9648.8 Ų48.845%0.44924%0.239SC..  trans-110.6133.7179.6-64.7-178.9-2.700111.2L57 Y141 A142 Y222 P223Q55-L57 PolarHBondContact O-N 3.1Å; Q55-Y141 PolarHBondContact OE1-O 2.84Å; Q55-A142 VanDerWaalsContact OE1-CA 3.32Å; Q55-A142 PolarHBondContact OE1-O 3.35Å; Q55-Y222 VanDerWaalsContact O-CA 3.24Å; Q55-Y222 WeakPolarHBondContact O-CA 3.23Å; Q55-Y222 WeakPolarHBondContact O-CB 3.32Å; Q55-P223 PolarHBondContact N-O 2.88Å; Q55-P223 WeakPolarHBondContact O-CD 3.04Å
56P77Confident70.3Confident3 Ų347.4 Ų47.42%0.01925%0.249CC..PPolyproline II helixtrans-56.4129.1178.8-23.130000113L44 C47 Y141 M220L44-P56 HydrophobicContact CD2-CG 4.26Å; C47-P56 HydrophobicContact CB-CG 4.15Å; P56-Y141 HydrophobicContact CB-CD2 3.91Å; P56-Y141 HydrophobicContact CB-CG 4.48Å; P56-Y141 HydrophobicContact CG-CD2 3.81Å; P56-Y141 HydrophobicContact CG-CE2 4.42Å; P56-Y141 HydrophobicContact CG-CG 4.22Å; P56-M220 HydrophobicContact CB-SD 4.06Å; P56-M220 HydrophobicContact CG-SD 3.99Å
57L81.3Confident71.3Confident5 Ų548.8 Ų48.83%0.02626%0.257CS..PPolyproline II helixtrans-79.7129.6174.5-69.8-175.9000110.9Q55 W59 F73 L77 G119 V221 P223Q55-L57 PolarHBondContact O-N 3.1Å; L57-W59 WeakPolarHBondContact O-CZ3 3.21Å; L57-F73 HydrophobicContact CB-CE2 4.15Å; L57-F73 HydrophobicContact CB-CZ 3.87Å; L57-F73 HydrophobicContact CD1-CE2 4.32Å; L57-F73 HydrophobicContact CD1-CZ 4.09Å; L57-L77 HydrophobicContact CD1-CD2 3.58Å; L57-G119 VanDerWaalsContact O-CA 3.31Å; L57-G119 WeakPolarHBondContact O-CA 3.36Å; L57-G119 PolarHBondContact O-N 3.08Å; L57-V221 HydrophobicContact CD1-CG1 3.87Å; L57-V221 PolarHBondContact N-O 2.77Å; L57-P223 HydrophobicContact CD2-CB 4.33Å; L57-P223 HydrophobicContact CD2-CG 3.71Å; L57-P223 HydrophobicContact CG-CG 4.38Å
58G84.6Confident72.5Confident17 Ų1749.7 Ų49.718%0.17526%0.262CS..PPolyproline II helixtrans-97.8138.9175.600000113.4N118G58-N118 WeakPolarHBondContact CA-OD1 3.39Å
59W86.4Confident73.7Confident16 Ų1645.2 Ų45.26%0.06124%0.241CC..  trans-126.4162.9169.258.398.2000111.3L57 F70 F73 I116 V117 N118 R120L57-W59 WeakPolarHBondContact O-CZ3 3.21Å; W59-F70 AromaticContact CZ2-CE1 3.97Å; W59-F70 HydrophobicContact CZ2-CE1 3.97Å; W59-F70 HydrophobicContact CZ2-CZ 4.17Å; W59-F73 HydrophobicContact CB-CB 4.27Å; W59-F73 HydrophobicContact CB-CD2 3.88Å; W59-F73 HydrophobicContact CB-CE2 4.43Å; W59-F73 HydrophobicContact CB-CG 4.08Å; W59-F73 HydrophobicContact CD2-CD1 4.18Å; W59-F73 HydrophobicContact CD2-CE1 4.3Å; W59-F73 HydrophobicContact CD2-CG 4.33Å; W59-F73 AromaticContact CE3-CD1 3.97Å; W59-F73 HydrophobicContact CE3-CD1 3.97Å; W59-F73 HydrophobicContact CE3-CD2 4.29Å; W59-F73 AromaticContact CE3-CE1 3.62Å; W59-F73 HydrophobicContact CE3-CE1 3.62Å; W59-F73 AromaticContact CE3-CE2 3.97Å; W59-F73 HydrophobicContact CE3-CE2 3.97Å; W59-F73 HydrophobicContact CE3-CG 4.29Å; W59-F73 AromaticContact CE3-CZ 3.63Å; W59-F73 HydrophobicContact CE3-CZ 3.63Å; W59-F73 HydrophobicContact CG-CB 4.49Å; W59-F73 HydrophobicContact CG-CD2 4.45Å; W59-F73 HydrophobicContact CG-CG 4.27Å; W59-F73 HydrophobicContact CZ3-CD1 4.43Å; W59-F73 AromaticContact CZ3-CE1 3.79Å; W59-F73 HydrophobicContact CZ3-CE1 3.79Å; W59-F73 AromaticContact CZ3-CZ 3.96Å; W59-F73 HydrophobicContact CZ3-CZ 3.96Å; W59-I116 HydrophobicContact CH2-CG2 3.42Å; W59-I116 VanDerWaalsContact CH2-CG2 3.42Å; W59-I116 HydrophobicContact CZ2-CG2 3.72Å; W59-V117 VanDerWaalsContact CH2-O 3.26Å; W59-V117 WeakPolarHBondContact CH2-O 3.37Å; W59-N118 VanDerWaalsContact CH2-CA 3.47Å; W59-N118 HydrophobicContact CH2-CB 4.21Å; W59-N118 HydrophobicContact CZ2-CB 4.02Å; W59-N118 PolarHBondContact N-OD1 3.21Å; W59-N118 PolarHBondContact O-ND2 2.8Å; W59-N118 PolarHBondContact O-OD1 2.93Å; W59-R120 PolarHBondContact O-NH1 3.41Å
60M89Confident75.4Confident33 Ų3339.8 Ų39.816%0.16321%0.212CC..PPolyproline II helixtrans-98.6155.8175.2-65.5-60.4-79.800110R120 V149 S163 G164 L166M60-R120 PolarHBondContact SD-NH1 3.05Å; M60-V149 HydrophobicContact CE-CB 4.13Å; M60-V149 HydrophobicContact CE-CG1 3.9Å; M60-V149 HydrophobicContact CE-CG2 3.29Å; M60-V149 HydrophobicContact SD-CG2 4.39Å; M60-S163 WeakPolarHBondContact CE-O 3.35Å; M60-S163 WeakPolarHBondContact CG-O 3.5Å; M60-G164 VanDerWaalsContact CE-C 3.42Å; M60-G164 WeakPolarHBondContact CE-O 3.39Å; M60-L166 HydrophobicContact CE-CD2 4.2Å; M60-L166 HydrophobicContact CE-CG 4.31Å; M60-L166 HydrophobicContact SD-CD2 3.68Å; M60-L166 HydrophobicContact SD-CG 4.39Å
61L89.8Confident76.9Confident5 Ų546.5 Ų46.53%0.02624%0.235CC..BIsolated β-bridgetrans-91.7150.3170-51.9168.7000109.9E69 G164 V165 I198L61-E69 HydrophobicContact CB-CG 4.42Å; L61-E69 HydrophobicContact CD2-CG 4Å; L61-G164 CarbonylContact O-C 3.12Å; L61-G164 VanDerWaalsContact O-CA 3.31Å; L61-G164 WeakPolarHBondContact O-CA 3.48Å; L61-V165 WeakPolarHBondContact CA-O 3.43Å; L61-V165 HydrophobicContact CB-CG2 4.09Å; L61-V165 VanDerWaalsContact CB-O 3.25Å; L61-V165 WeakPolarHBondContact CB-O 3.42Å; L61-V165 PolarHBondContact N-O 3.03Å; L61-V165 WeakPolarHBondContact O-CG2 3.49Å; L61-V165 PolarHBondContact O-N 3.09Å; L61-I198 HydrophobicContact CD1-CD1 3.75Å; L61-I198 HydrophobicContact CD1-CG2 4.17Å; L61-I198 HydrophobicContact CD2-CD1 3.64Å; L61-I198 HydrophobicContact CD2-CG1 4.3Å; L61-I198 HydrophobicContact CG-CD1 4.23Å
62F87.5Confident79Confident53 Ų5346 Ų4623%0.23224%0.238CC..PPolyproline II helixtrans-85.6144.7164.9-64.2-77000109.6F64 L67 E69 V72 R168F62-F64 PolarHBondContact O-N 2.97Å; F62-L67 HydrophobicContact CB-CB 3.94Å; F62-L67 HydrophobicContact CB-CD1 4.14Å; F62-L67 HydrophobicContact CD1-CB 4.4Å; F62-L67 HydrophobicContact CD1-CD1 3.49Å; F62-L67 VanDerWaalsContact CD1-CD1 3.49Å; F62-L67 HydrophobicContact CD2-CB 3.58Å; F62-L67 HydrophobicContact CD2-CD1 4.17Å; F62-L67 HydrophobicContact CE1-CD1 3.89Å; F62-L67 HydrophobicContact CE2-CB 4.21Å; F62-L67 HydrophobicContact CG-CB 3.7Å; F62-L67 HydrophobicContact CG-CD1 3.65Å; F62-L67 HydrophobicContact CG-CG 4.33Å; F62-L67 HydrophobicContact CZ-CD1 4.39Å; F62-E69 HydrophobicContact CD2-CG 3.91Å; F62-E69 HydrophobicContact CE2-CG 4.47Å; F62-E69 PolarHBondContact N-OE1 3.29Å; F62-V72 HydrophobicContact CE2-CB 4.02Å; F62-V72 HydrophobicContact CE2-CG1 4.28Å; F62-V72 HydrophobicContact CE2-CG2 3.65Å; F62-V72 HydrophobicContact CZ-CB 4.3Å; F62-V72 HydrophobicContact CZ-CG1 4.1Å; F62-V72 HydrophobicContact CZ-CG2 3.89Å; F62-R168 PolarHBondContact O-NE 2.96Å; F62-R168 VanDerWaalsContact O-NE 3.07Å
63P83.5Confident80.9Confident17 Ų1746.2 Ų46.211%0.1124%0.239CC..SBendtrans-68-16.5177.733-41.9000112.5A160 V165P63-A160 HydrophobicContact CG-CB 3.9Å; P63-V165 HydrophobicContact CB-CG1 4.48Å; P63-V165 HydrophobicContact CB-CG2 4.39Å
64F81.4Confident82.5Confident110 Ų11041.6 Ų41.648%0.48221%0.214SC..SBendtrans-115.4140.9-177.4-45.2-66.3000110.4F62 S66 A160F62-F64 PolarHBondContact O-N 2.97Å; F64-S66 PolarHBondContact O-N 2.77Å; F64-S66 VanDerWaalsContact O-N 3.08Å; F64-A160 HydrophobicContact CE2-CB 3.83Å; F64-A160 HydrophobicContact CZ-CB 3.96Å
65D76.1Confident83.6Confident89 Ų8944.3 Ų44.348%0.47623%0.226SC..THydrogen-bonded Turntrans-73.66.1178.2-64-41.9000114.2M1 R168M1-D65 WeakPolarHBondContact CA-O 3.37Å; M1-D65 WeakPolarHBondContact CB-O 3.45Å; M1-D65 WeakPolarHBondContact CE-O 3.36Å; M1-D65 PolarHBondContact N-O 3.07Å; D65-R168 WeakPolarHBondContact OD1-CD 3.43Å; D65-R168 IonicContact OD1-CZ 2.93Å; D65-R168 IonicContact OD1-NE 3.05Å; D65-R168 PolarHBondContact OD1-NE 3.47Å; D65-R168 IonicContact OD1-NH1 3.2Å; D65-R168 PolarHBondContact OD1-NH1 3.37Å
66S78.7Confident84.4Confident96 Ų9643.1 Ų43.167%0.67122%0.223SC*.THydrogen-bonded Turntrans-84.6-17.5179.658.80000113.1F64F64-S66 PolarHBondContact O-N 2.77Å; F64-S66 VanDerWaalsContact O-N 3.08Å
67L80.1Confident84.7Confident77 Ų7743 Ų4340%0.40322%0.222SC..SBendtrans-109.3136.2-179.6-67.6175.3000110.4M1 F62M1-L67 VanDerWaalsContact CE-O 3.26Å; M1-L67 WeakPolarHBondContact CE-O 3.05Å; F62-L67 HydrophobicContact CB-CB 3.94Å; F62-L67 HydrophobicContact CB-CD1 4.14Å; F62-L67 HydrophobicContact CD1-CB 4.4Å; F62-L67 HydrophobicContact CD1-CD1 3.49Å; F62-L67 VanDerWaalsContact CD1-CD1 3.49Å; F62-L67 HydrophobicContact CD2-CB 3.58Å; F62-L67 HydrophobicContact CD2-CD1 4.17Å; F62-L67 HydrophobicContact CE1-CD1 3.89Å; F62-L67 HydrophobicContact CE2-CB 4.21Å; F62-L67 HydrophobicContact CG-CB 3.7Å; F62-L67 HydrophobicContact CG-CD1 3.65Å; F62-L67 HydrophobicContact CG-CG 4.33Å; F62-L67 HydrophobicContact CZ-CD1 4.39Å
68N84.7Confident84.7Confident19 Ų1946.2 Ų46.210%0.10224%0.236CC..  trans-94.1107.5-178.7-173.5-44.1000108.8M1 D5 S9 F70 R71 V72M1-N68 HydrophobicContact CE-CB 3.69Å; M1-N68 VanDerWaalsContact CE-N 3.35Å; M1-N68 HydrophobicContact SD-CB 3.64Å; M1-N68 PolarHBondContact SD-ND2 3.45Å; D5-N68 PolarHBondContact O-ND2 3.26Å; S9-N68 WeakPolarHBondContact CB-ND2 3.47Å; S9-N68 PolarHBondContact OG-ND2 3.31Å; N68-F70 VanDerWaalsContact C-N 3.28Å; N68-F70 PolarHBondContact O-N 2.86Å; N68-F70 PolarHBondContact OD1-N 3.48Å; N68-R71 HydrophobicContact CB-CB 3.89Å; N68-R71 PolarHBondContact O-N 3.22Å; N68-R71 PolarHBondContact OD1-N 3.33Å; N68-V72 PolarHBondContact O-N 3.14Å; N68-V72 VanDerWaalsContact O-N 3.13Å
69E84.5Confident84.6Confident5 Ų552.9 Ų52.92%0.02326%0.26CS..Hα-helixtrans-60.3-38.4-178.4-70.172.3-166.400112.9L61 F62 R71 V72 F73 R168L61-E69 HydrophobicContact CB-CG 4.42Å; L61-E69 HydrophobicContact CD2-CG 4Å; F62-E69 HydrophobicContact CD2-CG 3.91Å; F62-E69 HydrophobicContact CE2-CG 4.47Å; F62-E69 PolarHBondContact N-OE1 3.29Å; E69-R71 VanDerWaalsContact C-N 3.33Å; E69-V72 PolarHBondContact O-N 3.2Å; E69-F73 VanDerWaalsContact O-CB 3.23Å; E69-F73 WeakPolarHBondContact O-CB 3.36Å; E69-F73 PolarHBondContact O-N 3.13Å; E69-R168 IonicContact OE1-CZ 3.17Å; E69-R168 IonicContact OE1-NE 3.91Å; E69-R168 IonicContact OE1-NH2 2.64Å; E69-R168 PolarHBondContact OE1-NH2 2.79Å; E69-R168 IonicContact OE2-NH2 3.68Å; E69-R168 PolarHBondContact OE2-NH2 3.36Å
70F86.8Confident84Confident2 Ų256.5 Ų56.51%0.00927%0.274CS..Hα-helixtrans-72.7-32.7-177.1-72.4-89.2000111.4M6 I10 L13 W59 N68 M74 I116 Y192M6-F70 HydrophobicContact CE-CD2 3.16Å; M6-F70 HydrophobicContact CE-CE2 3.57Å; M6-F70 HydrophobicContact CE-CG 4.22Å; I10-F70 HydrophobicContact CD1-CE2 4.38Å; I10-F70 HydrophobicContact CD1-CZ 4.35Å; I10-F70 HydrophobicContact CG1-CD1 4.09Å; I10-F70 HydrophobicContact CG1-CD2 4.39Å; I10-F70 HydrophobicContact CG1-CE1 4.3Å; I10-F70 HydrophobicContact CG1-CG 4.11Å; I10-F70 HydrophobicContact CG1-CZ 4.48Å; L13-F70 HydrophobicContact CD2-CD1 3.84Å; L13-F70 HydrophobicContact CD2-CE1 4.46Å; W59-F70 AromaticContact CZ2-CE1 3.97Å; W59-F70 HydrophobicContact CZ2-CE1 3.97Å; W59-F70 HydrophobicContact CZ2-CZ 4.17Å; N68-F70 VanDerWaalsContact C-N 3.28Å; N68-F70 PolarHBondContact O-N 2.86Å; N68-F70 PolarHBondContact OD1-N 3.48Å; F70-M74 WeakPolarHBondContact O-CB 3.35Å; F70-M74 PolarHBondContact O-N 2.83Å; F70-I116 HydrophobicContact CD1-CD1 4.16Å; F70-I116 HydrophobicContact CE1-CB 4.11Å; F70-I116 HydrophobicContact CE1-CD1 3.53Å; F70-I116 HydrophobicContact CE1-CG1 4.43Å; F70-I116 HydrophobicContact CE1-CG2 3.9Å; F70-I116 HydrophobicContact CZ-CB 4.31Å; F70-I116 HydrophobicContact CZ-CD1 4.17Å; F70-I116 HydrophobicContact CZ-CG2 4.41Å; F70-Y192 AromaticContact CE2-CD1 3.65Å; F70-Y192 HydrophobicContact CE2-CD1 3.65Å; F70-Y192 AromaticContact CE2-CD2 3.71Å; F70-Y192 HydrophobicContact CE2-CD2 3.71Å; F70-Y192 HydrophobicContact CE2-CE1 4Å; F70-Y192 HydrophobicContact CE2-CE2 4.04Å; F70-Y192 AromaticContact CE2-CG 3.53Å; F70-Y192 HydrophobicContact CE2-CG 3.53Å; F70-Y192 AromaticContact CZ-CD1 3.68Å; F70-Y192 HydrophobicContact CZ-CD1 3.68Å; F70-Y192 HydrophobicContact CZ-CD2 4.19Å; F70-Y192 HydrophobicContact CZ-CE1 4.43Å; F70-Y192 AromaticContact CZ-CG 3.57Å; F70-Y192 HydrophobicContact CZ-CG 3.57Å
71R86.3Confident83Confident151 Ų15163.3 Ų63.357%0.5730%0.298SS*.Hα-helixtrans-63-48.4169.9-174.9174.5176.1166.21.5111.2N68 E69 F73 M74 D75N68-R71 HydrophobicContact CB-CB 3.89Å; N68-R71 PolarHBondContact O-N 3.22Å; N68-R71 PolarHBondContact OD1-N 3.33Å; E69-R71 VanDerWaalsContact C-N 3.33Å; R71-F73 VanDerWaalsContact C-N 3.34Å; R71-F73 PolarHBondContact O-N 3.28Å; R71-M74 PolarHBondContact O-N 2.97Å; R71-D75 WeakPolarHBondContact O-CB 3.28Å; R71-D75 VanDerWaalsContact O-CG 3.23Å; R71-D75 PolarHBondContact O-N 3.4Å
72V86.2Confident81.9Confident53 Ų5364.5 Ų64.532%0.32131%0.311SS..Hα-helixtrans-62.1-44.5177.5175.30000111.1F62 N68 E69 M74 D75 D76F62-V72 HydrophobicContact CE2-CB 4.02Å; F62-V72 HydrophobicContact CE2-CG1 4.28Å; F62-V72 HydrophobicContact CE2-CG2 3.65Å; F62-V72 HydrophobicContact CZ-CB 4.3Å; F62-V72 HydrophobicContact CZ-CG1 4.1Å; F62-V72 HydrophobicContact CZ-CG2 3.89Å; N68-V72 PolarHBondContact O-N 3.14Å; N68-V72 VanDerWaalsContact O-N 3.13Å; E69-V72 PolarHBondContact O-N 3.2Å; V72-M74 PolarHBondContact O-N 2.96Å; V72-D75 PolarHBondContact O-N 3.43Å; V72-D76 PolarHBondContact O-N 3.27Å
73F87.8Confident80.5Confident11 Ų1170.9 Ų70.95%0.04834%0.339CS..Hα-helixtrans-59.8-47.5176.4179.8-132.6000111.1L13 L57 W59 E69 R71 D75 D76 L77 V221L13-F73 HydrophobicContact CD1-CD1 4.47Å; L13-F73 HydrophobicContact CD2-CD1 4.08Å; L13-F73 HydrophobicContact CD2-CE1 4.21Å; L57-F73 HydrophobicContact CB-CE2 4.15Å; L57-F73 HydrophobicContact CB-CZ 3.87Å; L57-F73 HydrophobicContact CD1-CE2 4.32Å; L57-F73 HydrophobicContact CD1-CZ 4.09Å; W59-F73 HydrophobicContact CB-CB 4.27Å; W59-F73 HydrophobicContact CB-CD2 3.88Å; W59-F73 HydrophobicContact CB-CE2 4.43Å; W59-F73 HydrophobicContact CB-CG 4.08Å; W59-F73 HydrophobicContact CD2-CD1 4.18Å; W59-F73 HydrophobicContact CD2-CE1 4.3Å; W59-F73 HydrophobicContact CD2-CG 4.33Å; W59-F73 AromaticContact CE3-CD1 3.97Å; W59-F73 HydrophobicContact CE3-CD1 3.97Å; W59-F73 HydrophobicContact CE3-CD2 4.29Å; W59-F73 AromaticContact CE3-CE1 3.62Å; W59-F73 HydrophobicContact CE3-CE1 3.62Å; W59-F73 AromaticContact CE3-CE2 3.97Å; W59-F73 HydrophobicContact CE3-CE2 3.97Å; W59-F73 HydrophobicContact CE3-CG 4.29Å; W59-F73 AromaticContact CE3-CZ 3.63Å; W59-F73 HydrophobicContact CE3-CZ 3.63Å; W59-F73 HydrophobicContact CG-CB 4.49Å; W59-F73 HydrophobicContact CG-CD2 4.45Å; W59-F73 HydrophobicContact CG-CG 4.27Å; W59-F73 HydrophobicContact CZ3-CD1 4.43Å; W59-F73 AromaticContact CZ3-CE1 3.79Å; W59-F73 HydrophobicContact CZ3-CE1 3.79Å; W59-F73 AromaticContact CZ3-CZ 3.96Å; W59-F73 HydrophobicContact CZ3-CZ 3.96Å; E69-F73 VanDerWaalsContact O-CB 3.23Å; E69-F73 WeakPolarHBondContact O-CB 3.36Å; E69-F73 PolarHBondContact O-N 3.13Å; R71-F73 VanDerWaalsContact C-N 3.34Å; R71-F73 PolarHBondContact O-N 3.28Å; F73-D75 PolarHBondContact O-N 3.5Å; F73-D76 PolarHBondContact O-N 3.49Å; F73-L77 HydrophobicContact CD2-CG 4.43Å; F73-L77 HydrophobicContact CE1-CD1 4.11Å; F73-L77 HydrophobicContact CE2-CD1 4.36Å; F73-L77 HydrophobicContact CE2-CD2 3.9Å; F73-L77 HydrophobicContact CE2-CG 4.19Å; F73-L77 HydrophobicContact CZ-CD1 4.03Å; F73-L77 HydrophobicContact CZ-CD2 4.18Å; F73-L77 HydrophobicContact CZ-CG 4.36Å; F73-L77 WeakPolarHBondContact O-CG 3.3Å; F73-L77 PolarHBondContact O-N 3.25Å; F73-V221 HydrophobicContact CE1-CB 4.29Å; F73-V221 HydrophobicContact CE1-CG1 4.45Å; F73-V221 HydrophobicContact CE1-CG2 4.12Å; F73-V221 HydrophobicContact CZ-CB 4.24Å; F73-V221 HydrophobicContact CZ-CG1 4.24Å
74M87.4Confident79.2Confident6 Ų676.9 Ų76.93%0.0336%0.363CS..Hα-helixtrans-59.6-44175.3-179-176.261.200111.9E12 L13 F70 R71 V72 D76 L77 K78E12-M74 HydrophobicContact CB-SD 4.01Å; L13-M74 HydrophobicContact CD1-CB 4.39Å; F70-M74 WeakPolarHBondContact O-CB 3.35Å; F70-M74 PolarHBondContact O-N 2.83Å; R71-M74 PolarHBondContact O-N 2.97Å; V72-M74 PolarHBondContact O-N 2.96Å; M74-D76 VanDerWaalsContact C-N 3.27Å; M74-D76 PolarHBondContact O-N 2.78Å; M74-L77 WeakPolarHBondContact O-CB 3.38Å; M74-L77 PolarHBondContact O-N 2.95Å; M74-L77 VanDerWaalsContact O-N 3.14Å; M74-K78 VanDerWaalsContact CE-NZ 3.29Å; M74-K78 HydrophobicContact CG-CD 4.19Å; M74-K78 HydrophobicContact CG-CG 4.45Å; M74-K78 WeakPolarHBondContact O-CG 3.32Å; M74-K78 PolarHBondContact O-N 3.09Å; M74-K78 PolarHBondContact SD-NZ 2.9Å; M74-K78 VanDerWaalsContact SD-NZ 3.39Å
75D87.3Confident77.9Confident66 Ų6676 Ų7635%0.35336%0.361SS..Hα-helixtrans-62-37.2178.1-71.4-20.1000111.2R71 V72 F73 K78 K79R71-D75 WeakPolarHBondContact O-CB 3.28Å; R71-D75 VanDerWaalsContact O-CG 3.23Å; R71-D75 PolarHBondContact O-N 3.4Å; V72-D75 PolarHBondContact O-N 3.43Å; F73-D75 PolarHBondContact O-N 3.5Å; D75-K78 PolarHBondContact O-N 2.68Å; D75-K79 WeakPolarHBondContact O-CG 3.42Å; D75-K79 PolarHBondContact O-N 2.85Å
76D85.4Confident77Confident72 Ų7278.4 Ų78.439%0.38537%0.374SS..Hα-helixtrans-68.3-35.7173.5-73.7-20000112.9V72 F73 M74 K79V72-D76 PolarHBondContact O-N 3.27Å; F73-D76 PolarHBondContact O-N 3.49Å; M74-D76 VanDerWaalsContact C-N 3.27Å; M74-D76 PolarHBondContact O-N 2.78Å; D76-K79 IonicContact OD1-NZ 2.66Å; D76-K79 PolarHBondContact OD1-NZ 3.16Å
77L82.9Confident75.8Confident0 Ų075.2 Ų75.20%035%0.351CS..Hα-helixtrans-66.4-42.5172.5-62.5-177.5000111.6L13 Y16 I28 L57 F73 M74 K79 R80 V221L13-L77 HydrophobicContact CD1-CD1 3.68Å; Y16-L77 HydrophobicContact CE1-CB 4.13Å; I28-L77 HydrophobicContact CD1-CB 3.83Å; I28-L77 HydrophobicContact CD1-CD1 4.26Å; I28-L77 HydrophobicContact CD1-CD2 3.76Å; I28-L77 HydrophobicContact CD1-CG 4.12Å; I28-L77 HydrophobicContact CG2-CD1 4.46Å; L57-L77 HydrophobicContact CD1-CD2 3.58Å; F73-L77 HydrophobicContact CD2-CG 4.43Å; F73-L77 HydrophobicContact CE1-CD1 4.11Å; F73-L77 HydrophobicContact CE2-CD1 4.36Å; F73-L77 HydrophobicContact CE2-CD2 3.9Å; F73-L77 HydrophobicContact CE2-CG 4.19Å; F73-L77 HydrophobicContact CZ-CD1 4.03Å; F73-L77 HydrophobicContact CZ-CD2 4.18Å; F73-L77 HydrophobicContact CZ-CG 4.36Å; F73-L77 WeakPolarHBondContact O-CG 3.3Å; F73-L77 PolarHBondContact O-N 3.25Å; M74-L77 WeakPolarHBondContact O-CB 3.38Å; M74-L77 PolarHBondContact O-N 2.95Å; M74-L77 VanDerWaalsContact O-N 3.14Å; L77-K79 PolarHBondContact O-N 2.84Å; L77-R80 VanDerWaalsContact O-CB 3.27Å; L77-R80 WeakPolarHBondContact O-CB 3.28Å; L77-R80 PolarHBondContact O-N 3.32Å; L77-V221 HydrophobicContact CD1-CG1 4.43Å
78K83Confident74.4Confident73 Ų7381.7 Ų81.732%0.31737%0.37SS..Hα-helixtrans-63.3-24.2179.3-76174.7178.5172.50113.6Y16 M74 D75 R80 R81Y16-K78 HydrophobicContact CD2-CG 4.21Å; Y16-K78 HydrophobicContact CE2-CG 3.79Å; M74-K78 VanDerWaalsContact CE-NZ 3.29Å; M74-K78 HydrophobicContact CG-CD 4.19Å; M74-K78 HydrophobicContact CG-CG 4.45Å; M74-K78 WeakPolarHBondContact O-CG 3.32Å; M74-K78 PolarHBondContact O-N 3.09Å; M74-K78 PolarHBondContact SD-NZ 2.9Å; M74-K78 VanDerWaalsContact SD-NZ 3.39Å; D75-K78 PolarHBondContact O-N 2.68Å; K78-R80 PolarHBondContact O-N 3.01Å; K78-R81 WeakPolarHBondContact O-CG 3.27Å
79K81.8Confident72.8Confident157 Ų15782.1 Ų82.168%0.68337%0.374SS*.THydrogen-bonded Turntrans-69.1-18.5173-69.2167.4-164162.20112.7D75 D76 L77 R81D75-K79 WeakPolarHBondContact O-CG 3.42Å; D75-K79 PolarHBondContact O-N 2.85Å; D76-K79 IonicContact OD1-NZ 2.66Å; D76-K79 PolarHBondContact OD1-NZ 3.16Å; L77-K79 PolarHBondContact O-N 2.84Å; K79-R81 PolarHBondContact O-N 3.04Å
80R73.8Confident71.1Confident91 Ų9186.8 Ų86.834%0.34340%0.395SS..THydrogen-bonded Turntrans-86.225.1-179.8-53.1-178.3-175.2-164.3-1.8113.2S24 E25 L77 K78 G82S24-R80 CarbonylContact C-O 3.51Å; S24-R80 WeakPolarHBondContact CA-O 3.33Å; E25-R80 PolarHBondContact N-O 3.46Å; L77-R80 VanDerWaalsContact O-CB 3.27Å; L77-R80 WeakPolarHBondContact O-CB 3.28Å; L77-R80 PolarHBondContact O-N 3.32Å; K78-R80 PolarHBondContact O-N 3.01Å; R80-G82 PolarHBondContact O-N 2.92Å
81R67.4Low69.1Low176 Ų17689.7 Ų89.766%0.66442%0.415SS*.BIsolated β-bridgetrans-65.6109.1176.5-81.7175.4176-164.7-3.1109.4K78 K79K78-R81 WeakPolarHBondContact O-CG 3.27Å; K79-R81 PolarHBondContact O-N 3.04Å
82G67.4Low67.3Low30 Ų3084.5 Ų84.531%0.30940%0.395SS..  trans-105.7-173.8178.300000112.7R23 E25 R80R23-G82 PolarHBondContact O-N 3.15Å; E25-G82 WeakPolarHBondContact OE2-CA 3.46Å; R80-G82 PolarHBondContact O-N 2.92Å
83K58.7Low65.3Low187 Ų18783.2 Ų83.281%0.81339%0.388SS*.  trans-74.3145.2172.5-74-178-179.4176.60109.5Q85K83-Q85 PolarHBondContact O-N 3.39Å; K83-Q85 VanDerWaalsContact O-N 3.11Å
84K54.6Low63.1Low144 Ų14486.3 Ų86.363%0.62641%0.411SS*.  trans-59.6113.2-178.7-162.6-175.4-178.4-112.90110.3D86K84-D86 IonicContact NZ-OD1 3.68Å; K84-D86 PolarHBondContact NZ-OD1 3.31Å
85Q55.8Low60.9Low92 Ų9288.7 Ų88.743%0.4342%0.424SS..  trans-96.7136.6156.8-84.9177-2200107.9K83 C87 C226K83-Q85 PolarHBondContact O-N 3.39Å; K83-Q85 VanDerWaalsContact O-N 3.11Å; Q85-C87 PolarHBondContact O-N 2.98Å; Q85-C226 PolarHBondContact OE1-SG 3.16Å
86D55.6Low58.6Low139 Ų13991.3 Ų91.374%0.74343%0.429SS*.  trans-77.548.9-178.1-85.2-25.5000112.1K84K84-D86 IonicContact NZ-OD1 3.68Å; K84-D86 PolarHBondContact NZ-OD1 3.31Å
87C54.2Low56.2Low29 Ų2991.6 Ų91.620%0.19644%0.437CS..  trans-93.4118.5172.6-62.80000108.4S22 N27 Q85 C226S22-C87 WeakPolarHBondContact CB-O 3.32Å; N27-C87 WeakPolarHBondContact ND2-CB 3.27Å; Q85-C87 PolarHBondContact O-N 2.98Å; C87-C226 HydrophobicContact CB-CB 4.33Å; C87-C226 WeakPolarHBondContact CB-SG 3.18Å; C87-C226 WeakPolarHBondContact SG-CB 3.49Å; C87-C226 CovalentContact SG-SG 2Å; C87-C226 PolarHBondContact SG-SG 3.17Å
88R51.5Low54.1Low213 Ų21396.3 Ų96.380%0.80447%0.47SS*.  trans-84.5115.5172.2-68.1-175.1-178.7178.52.3107
89P50.3Low52Low28 Ų2897.3 Ų97.318%0.18249%0.486CS..PPolyproline II helixtrans-66153.4173.522.9-11000107.7P91P89-P91 WeakPolarHBondContact O-CD 3.21Å; P89-P91 VanDerWaalsContact O-N 3.11Å
90Q49.2Very low49.8Very low102 Ų10295.2 Ų95.248%0.47748%0.477SS..PPolyproline II helixtrans-51.9123.1172-94.1179.813.400109.4Y51 W92Y51-Q90 WeakPolarHBondContact O-CG 3.39Å; Y51-Q90 PolarHBondContact O-NE2 2.83Å; Q90-W92 PolarHBondContact O-N 3.01Å
91P43.7Very low48.2Very low64 Ų6498.6 Ų98.642%0.41650%0.497SS..PPolyproline II helixtrans-64.4125.2178.815.4-19.9000109.8P89 F236P89-P91 WeakPolarHBondContact O-CD 3.21Å; P89-P91 VanDerWaalsContact O-N 3.11Å; P91-F236 HydrophobicContact CG-CD1 3.53Å; P91-F236 HydrophobicContact CG-CE1 3.92Å
92W48.8Very low46.6Very low41 Ų4198.3 Ų98.316%0.15551%0.508CS..PPolyproline II helixtrans-63.1151.1174.5175.943000111.5L14 Q90 S94 L95L14-W92 HydrophobicContact CB-CE3 4.4Å; L14-W92 HydrophobicContact CB-CH2 3.38Å; L14-W92 HydrophobicContact CB-CZ2 4.07Å; L14-W92 HydrophobicContact CB-CZ3 3.58Å; L14-W92 HydrophobicContact CD1-CH2 3.63Å; L14-W92 HydrophobicContact CD1-CZ2 3.71Å; L14-W92 HydrophobicContact CD2-CZ2 4.36Å; L14-W92 HydrophobicContact CG-CH2 4.01Å; L14-W92 HydrophobicContact CG-CZ2 4.26Å; Q90-W92 PolarHBondContact O-N 3.01Å; W92-S94 PolarHBondContact O-N 3.06Å; W92-S94 VanDerWaalsContact O-N 3.08Å; W92-L95 HydrophobicContact CH2-CB 4.41Å; W92-L95 HydrophobicContact CH2-CD1 3.51Å; W92-L95 HydrophobicContact CH2-CG 3.76Å; W92-L95 HydrophobicContact CZ2-CD1 3.5Å; W92-L95 VanDerWaalsContact CZ2-CD1 3.5Å; W92-L95 HydrophobicContact CZ2-CD2 4.46Å; W92-L95 HydrophobicContact CZ2-CG 3.5Å
93C45.3Very low45.2Very low27 Ų27104.8 Ų104.818%0.18253%0.528CS..  trans-56.8110.8165.5-55.80000108.6L95 V239 C241C93-L95 PolarHBondContact O-N 3.49Å; C93-V239 PolarHBondContact SG-O 2.83Å; C93-C241 VanDerWaalsContact CB-SG 3.51Å; C93-C241 PolarHBondContact SG-SG 3.44Å
94S40.5Very low44.1Very low75 Ų75108.3 Ų108.352%0.52454%0.536SS..  trans-59.5112174-176.60000108.9W92 Y96W92-S94 PolarHBondContact O-N 3.06Å; W92-S94 VanDerWaalsContact O-N 3.08Å; S94-Y96 WeakPolarHBondContact CB-O 3.47Å; S94-Y96 PolarHBondContact O-N 2.96Å; S94-Y96 WeakPolarHBondContact OG-CA 3.38Å; S94-Y96 WeakPolarHBondContact OG-CB 3.37Å; S94-Y96 PolarHBondContact OG-N 3.24Å; S94-Y96 VanDerWaalsContact OG-N 3.14Å; S94-Y96 PolarHBondContact OG-O 3.28Å
95L42.1Very low43.2Very low57 Ų57104.3 Ų104.330%0.29852%0.524SS..SBendtrans-58.4-22.3164-70.9175.9000110.9L14 W92 C93 L113L14-L95 HydrophobicContact CD1-CD1 4.4Å; W92-L95 HydrophobicContact CH2-CB 4.41Å; W92-L95 HydrophobicContact CH2-CD1 3.51Å; W92-L95 HydrophobicContact CH2-CG 3.76Å; W92-L95 HydrophobicContact CZ2-CD1 3.5Å; W92-L95 VanDerWaalsContact CZ2-CD1 3.5Å; W92-L95 HydrophobicContact CZ2-CD2 4.46Å; W92-L95 HydrophobicContact CZ2-CG 3.5Å; C93-L95 PolarHBondContact O-N 3.49Å; L95-L113 HydrophobicContact CD1-CD2 3.55Å
96Y38.2Very low42.3Very low120 Ų120104.2 Ų104.247%0.47153%0.533SS..SBendtrans-86.9113176.9-65.1-80.4000109.9S94 S98S94-Y96 WeakPolarHBondContact CB-O 3.47Å; S94-Y96 PolarHBondContact O-N 2.96Å; S94-Y96 WeakPolarHBondContact OG-CA 3.38Å; S94-Y96 WeakPolarHBondContact OG-CB 3.37Å; S94-Y96 PolarHBondContact OG-N 3.24Å; S94-Y96 VanDerWaalsContact OG-N 3.14Å; S94-Y96 PolarHBondContact OG-O 3.28Å; Y96-S98 PolarHBondContact O-N 2.99Å
97S36Very low41.4Very low78 Ų78100 Ų10055%0.54551%0.514SS..  trans-53.7117.6156.6-179.70000107.3S99 K100S97-S99 PolarHBondContact O-N 3.07Å; S97-S99 PolarHBondContact OG-OG 3.26Å; S97-K100 PolarHBondContact O-N 2.87Å; S97-K100 VanDerWaalsContact O-N 3.16Å
98S37.2Very low40.4Very low100 Ų100100.7 Ų100.770%0.69953%0.526SS*.G310 helixtrans-52.1-17.5176.650.90000112.8Y96 K100Y96-S98 PolarHBondContact O-N 2.99Å; S98-K100 VanDerWaalsContact C-N 3.28Å; S98-K100 PolarHBondContact O-N 3.45Å
99S39.1Very low39.8Very low93 Ų9396.7 Ų96.765%0.6552%0.516SS*.G310 helixtrans-68.1-13.8178.369.20000115.9S97S97-S99 PolarHBondContact O-N 3.07Å; S97-S99 PolarHBondContact OG-OG 3.26Å
100K37.3Very low39.7Very low114 Ų11496.3 Ų96.350%0.49651%0.514SS..G310 helixtrans-120.416.9-174.5-72.4-169.8-176.6176.70116S97 S98 N102 K103 E109S97-K100 PolarHBondContact O-N 2.87Å; S97-K100 VanDerWaalsContact O-N 3.16Å; S98-K100 VanDerWaalsContact C-N 3.28Å; S98-K100 PolarHBondContact O-N 3.45Å; K100-N102 PolarHBondContact O-N 3.21Å; K100-K103 PolarHBondContact O-N 3.12Å; K100-E109 IonicContact NZ-OE1 2.96Å; K100-E109 IonicContact NZ-OE2 3.63Å
101Q39.6Very low39.9Very low162 Ų16295.3 Ų95.376%0.75751%0.512SS*.THydrogen-bonded Turntrans-56.5-14.9-179.4-83.9-175.3-16.300115.4
102N34.5Very low40.8Very low169 Ų16996 Ų9690%0.90451%0.512SS*.THydrogen-bonded Turntrans-94.98.8-180-79-16000116.1K100K100-N102 PolarHBondContact O-N 3.21Å
103K36.9Very low41.9Very low166 Ų16694.2 Ų94.272%0.72251%0.505SS*.SBendtrans-117126.7167.6-71.7-175.1178.3-178.60108.6K100 V105K100-K103 PolarHBondContact O-N 3.12Å; K103-V105 HydrophobicContact CB-CG2 3.65Å; K103-V105 WeakPolarHBondContact O-CG2 3.38Å; K103-V105 PolarHBondContact O-N 3.42Å
104R36.5Very low43.3Very low262 Ų26293 Ų9399%0.98950%0.497SS*.  trans-60.174.8158.6-74.8177.8170.4174.5-3.5107.1S106R104-S106 PolarHBondContact O-N 2.94Å
105V35.7Very low45.2Very low60 Ų6089.6 Ų89.636%0.36447%0.473SS..  trans-75.1120.1180-177.20000105.8K103 E109K103-V105 HydrophobicContact CB-CG2 3.65Å; K103-V105 WeakPolarHBondContact O-CG2 3.38Å; K103-V105 PolarHBondContact O-N 3.42Å; V105-E109 HydrophobicContact CG1-CB 4.19Å; V105-E109 HydrophobicContact CG1-CG 3.99Å
106S35.6Very low47.2Very low90 Ų9086.9 Ų86.963%0.62946%0.459SS*.  trans-47.8142.2173.656.10000110R104 G108 E109R104-S106 PolarHBondContact O-N 2.94Å; S106-G108 PolarHBondContact O-N 3.39Å; S106-E109 PolarHBondContact O-N 2.8Å
107C36.7Very low49.4Very low50 Ų5081.2 Ų81.234%0.33844%0.437SS..G310 helixtrans-48.9-11.3176.5-59.90000115.2E4 I8 E109 T110E4-C107 WeakPolarHBondContact OE1-CB 3.41Å; I8-C107 HydrophobicContact CG1-CB 4.27Å; C107-E109 VanDerWaalsContact C-N 3.31Å; C107-E109 PolarHBondContact O-N 2.95Å; C107-T110 PolarHBondContact O-N 2.76Å; C107-T110 PolarHBondContact O-OG1 2.79Å
108G34.6Very low51.8Low43 Ų4377.5 Ų77.544%0.44341%0.411SS..G310 helixtrans-61.4-16.7175.700000117.7S106S106-G108 PolarHBondContact O-N 3.39Å
109E37.7Very low54.1Low129 Ų12972.8 Ų72.860%0.60338%0.378SS*.G310 helixtrans-87.3-6.9176.5-78.9-169.5175.900114K100 V105 S106 C107 D111K100-E109 IonicContact NZ-OE1 2.96Å; K100-E109 IonicContact NZ-OE2 3.63Å; V105-E109 HydrophobicContact CG1-CB 4.19Å; V105-E109 HydrophobicContact CG1-CG 3.99Å; S106-E109 PolarHBondContact O-N 2.8Å; C107-E109 VanDerWaalsContact C-N 3.31Å; C107-E109 PolarHBondContact O-N 2.95Å; E109-D111 VanDerWaalsContact C-N 3.26Å; E109-D111 PolarHBondContact O-N 2.97Å
110T49.3Very low56.4Low20 Ų2070 Ų7012%0.12335%0.353CS..  trans-85.744.4-176.254.40000114C107 D112 L113C107-T110 PolarHBondContact O-N 2.76Å; C107-T110 PolarHBondContact O-OG1 2.79Å; T110-D112 PolarHBondContact O-N 2.88Å; T110-D112 VanDerWaalsContact O-N 3.13Å; T110-L113 WeakPolarHBondContact O-CG 3.27Å
111D52.6Low58.8Low81 Ų8164.7 Ų64.743%0.43333%0.33SS..THydrogen-bonded Turntrans-66.7-10.5177.4-81.1-24.1000113.9K7 E109 R195K7-D111 IonicContact NZ-OD1 3.95Å; K7-D111 PolarHBondContact NZ-OD1 3.16Å; E109-D111 VanDerWaalsContact C-N 3.26Å; E109-D111 PolarHBondContact O-N 2.97Å; D111-R195 PolarHBondContact O-NE 3.26Å; D111-R195 PolarHBondContact O-NH2 3.4Å
112D62.2Low61.4Low79 Ų7957 Ų5742%0.42229%0.294SS..THydrogen-bonded Turntrans-10125.2-177.6-80-22.9000114.1T110 R195 K245T110-D112 PolarHBondContact O-N 2.88Å; T110-D112 VanDerWaalsContact O-N 3.13Å; D112-R195 IonicContact OD1-NH2 2.83Å; D112-K245 VanDerWaalsContact CG-NZ 3.33Å; D112-K245 IonicContact OD1-NZ 3.95Å; D112-K245 IonicContact OD2-NZ 2.76Å; D112-K245 PolarHBondContact OD2-NZ 2.95Å
113L73.1Confident64.2Low4 Ų451 Ų512%0.02126%0.263CS..PPolyproline II helixtrans-61.3131.5173.2-71.5174.6000110.4K7 I10 L14 L95 T110 T194K7-L113 HydrophobicContact CB-CD1 4.17Å; K7-L113 HydrophobicContact CG-CD1 4.17Å; I10-L113 HydrophobicContact CB-CD1 4.2Å; I10-L113 HydrophobicContact CG2-CB 4.45Å; I10-L113 HydrophobicContact CG2-CD1 3.89Å; I10-L113 HydrophobicContact CG2-CD2 3.98Å; I10-L113 HydrophobicContact CG2-CG 4.32Å; L14-L113 HydrophobicContact CD1-CD2 3.99Å; L95-L113 HydrophobicContact CD1-CD2 3.55Å; T110-L113 WeakPolarHBondContact O-CG 3.27Å; L113-T194 HydrophobicContact CB-CG2 4.27Å; L113-T194 HydrophobicContact CD1-CG2 3.77Å
114P74.6Confident67Low2 Ų243.8 Ų43.81%0.01324%0.236CC..PPolyproline II helixtrans-66153.3-179.226-33.4000111.9L14 I116 Y217 V219L14-P114 HydrophobicContact CD1-CG 4.49Å; P114-I116 PolarHBondContact O-N 3Å; P114-Y217 HydrophobicContact CB-CD2 4.2Å; P114-Y217 HydrophobicContact CB-CE2 3.5Å; P114-Y217 HydrophobicContact CG-CE2 4.26Å; P114-V219 HydrophobicContact CB-CB 4.27Å; P114-V219 HydrophobicContact CB-CG2 3.81Å; P114-V219 HydrophobicContact CG-CB 4.24Å; P114-V219 HydrophobicContact CG-CG2 3.79Å
115T79.5Confident69.9Low2 Ų232 Ų321%0.01219%0.192CC..EExtended strand (participates in β ladder)trans-60.5122162.8-76.70000109.5V117 N191 Y192 F199 D215 K218 V219T115-V117 HydrophobicContact CG2-CG2 4.35Å; T115-N191 HydrophobicContact CG2-CB 3.79Å; T115-Y192 CarbonylContact C-O 3.59Å; T115-Y192 VanDerWaalsContact CA-O 3.24Å; T115-Y192 WeakPolarHBondContact CA-O 3.17Å; T115-F199 HydrophobicContact CG2-CE1 4.28Å; T115-F199 HydrophobicContact CG2-CZ 3.82Å; T115-D215 PolarHBondContact N-OD2 3.07Å; T115-D215 PolarHBondContact OG1-OD2 3.14Å; T115-K218 HydrophobicContact CG2-CB 4.35Å; T115-K218 HydrophobicContact CG2-CD 3.94Å; T115-K218 HydrophobicContact CG2-CG 3.93Å; T115-K218 CarbonylContact O-C 3.42Å; T115-K218 VanDerWaalsContact O-CA 3.28Å; T115-K218 WeakPolarHBondContact O-CA 3.49Å; T115-V219 PolarHBondContact O-N 2.79Å
116I83.7Confident72.7Confident1 Ų134.4 Ų34.41%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-93128.3174.5-60.3173.6000109.3I10 W59 F70 P114 N191 Y192 V219I10-I116 HydrophobicContact CB-CD1 4.34Å; I10-I116 HydrophobicContact CD1-CD1 4Å; I10-I116 HydrophobicContact CG1-CD1 3.8Å; I10-I116 HydrophobicContact CG2-CD1 3.73Å; W59-I116 HydrophobicContact CH2-CG2 3.42Å; W59-I116 VanDerWaalsContact CH2-CG2 3.42Å; W59-I116 HydrophobicContact CZ2-CG2 3.72Å; F70-I116 HydrophobicContact CD1-CD1 4.16Å; F70-I116 HydrophobicContact CE1-CB 4.11Å; F70-I116 HydrophobicContact CE1-CD1 3.53Å; F70-I116 HydrophobicContact CE1-CG1 4.43Å; F70-I116 HydrophobicContact CE1-CG2 3.9Å; F70-I116 HydrophobicContact CZ-CB 4.31Å; F70-I116 HydrophobicContact CZ-CD1 4.17Å; F70-I116 HydrophobicContact CZ-CG2 4.41Å; P114-I116 PolarHBondContact O-N 3Å; I116-N191 CarbonylContact O-C 3.49Å; I116-Y192 PolarHBondContact N-O 3.34Å; I116-Y192 PolarHBondContact O-N 2.96Å; I116-V219 CarbonylContact C-O 3.47Å; I116-V219 WeakPolarHBondContact CA-O 3.26Å
117V84.6Confident75.6Confident0 Ų034.4 Ų34.40%019%0.192CC..EExtended strand (participates in β ladder)trans-104.6130.7179.8-165.90000110.4F33 W59 T115 L189 K218 V219 M220F33-V117 HydrophobicContact CZ-CG2 3.89Å; W59-V117 VanDerWaalsContact CH2-O 3.26Å; W59-V117 WeakPolarHBondContact CH2-O 3.37Å; T115-V117 HydrophobicContact CG2-CG2 4.35Å; V117-L189 HydrophobicContact CG1-CB 4.05Å; V117-L189 HydrophobicContact CG1-CD2 3.93Å; V117-L189 HydrophobicContact CG1-CG 4.45Å; V117-K218 HydrophobicContact CG2-CB 3.79Å; V117-K218 HydrophobicContact CG2-CD 3.74Å; V117-K218 HydrophobicContact CG2-CG 4.35Å; V117-V219 PolarHBondContact N-O 2.84Å; V117-M220 HydrophobicContact CB-CE 3.58Å; V117-M220 HydrophobicContact CB-CG 3.74Å; V117-M220 HydrophobicContact CG1-CE 3.28Å; V117-M220 HydrophobicContact CG1-CG 4.47Å; V117-M220 HydrophobicContact CG2-CE 4.37Å
118N87.3Confident78.3Confident1 Ų133.4 Ų33.41%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-71.8133.5175.8-164-49.6000110.6G58 W59 R120 I190G58-N118 WeakPolarHBondContact CA-OD1 3.39Å; W59-N118 VanDerWaalsContact CH2-CA 3.47Å; W59-N118 HydrophobicContact CH2-CB 4.21Å; W59-N118 HydrophobicContact CZ2-CB 4.02Å; W59-N118 PolarHBondContact N-OD1 3.21Å; W59-N118 PolarHBondContact O-ND2 2.8Å; W59-N118 PolarHBondContact O-OD1 2.93Å; N118-R120 PolarHBondContact O-N 3.24Å; N118-R120 VanDerWaalsContact O-N 3.09Å; N118-R120 WeakPolarHBondContact OD1-CB 3.21Å; N118-R120 PolarHBondContact OD1-N 2.9Å; N118-I190 HydrophobicContact CB-CB 3.83Å; N118-I190 HydrophobicContact CB-CG2 4.43Å; N118-I190 WeakPolarHBondContact CB-O 3.44Å; N118-I190 PolarHBondContact N-O 3.13Å
119G84Confident81.1Confident0 Ų037.3 Ų37.30%021%0.206CC..EExtended strand (participates in β ladder)trans-69.55.3174.600000115.4L57 Y141L57-G119 VanDerWaalsContact O-CA 3.31Å; L57-G119 WeakPolarHBondContact O-CA 3.36Å; L57-G119 PolarHBondContact O-N 3.08Å; G119-Y141 WeakPolarHBondContact O-CD2 3.44Å
120R88.1Confident83.7Confident35 Ų3536.6 Ų36.613%0.13221%0.207CC..EExtended strand (participates in β ladder)trans-99.4119.3171.2-72.7173.3175144.90.5111W59 M60 N118 Y138 H139 D140 L166W59-R120 PolarHBondContact O-NH1 3.41Å; M60-R120 PolarHBondContact SD-NH1 3.05Å; N118-R120 PolarHBondContact O-N 3.24Å; N118-R120 VanDerWaalsContact O-N 3.09Å; N118-R120 WeakPolarHBondContact OD1-CB 3.21Å; N118-R120 PolarHBondContact OD1-N 2.9Å; R120-Y138 HydrophobicContact CB-CD2 3.88Å; R120-Y138 VanDerWaalsContact CD-CE2 3.43Å; R120-Y138 HydrophobicContact CG-CD2 3.63Å; R120-Y138 HydrophobicContact CG-CE2 3.82Å; R120-H139 WeakPolarHBondContact CA-O 3.29Å; R120-D140 IonicContact CZ-OD2 3.38Å; R120-D140 IonicContact NE-OD2 2.61Å; R120-D140 PolarHBondContact NE-OD2 2.93Å; R120-D140 IonicContact NH2-OD2 3.49Å; R120-D140 PolarHBondContact NH2-OD2 2.8Å; R120-L166 HydrophobicContact CB-CD2 4.49Å
121L88.8Confident85.6Confident3 Ų336.3 Ų36.32%0.01621%0.208CC..EExtended strand (participates in β ladder)trans-95.5129.7174.6-59.3-155.3000111.5V123 Y138 H139 Y141 P187 L188 L189 L203L121-V123 PolarHBondContact O-N 2.9Å; L121-Y138 CarbonylContact O-C 3.57Å; L121-Y138 WeakPolarHBondContact O-CA 3.21Å; L121-Y138 VanDerWaalsContact O-CB 3.23Å; L121-Y138 WeakPolarHBondContact O-CB 3.31Å; L121-H139 PolarHBondContact N-O 3.02Å; L121-H139 VanDerWaalsContact N-O 3.09Å; L121-H139 PolarHBondContact O-N 3.15Å; L121-Y141 HydrophobicContact CD1-CE2 3.85Å; L121-Y141 WeakPolarHBondContact CD1-OH 3.18Å; L121-Y141 HydrophobicContact CD2-CE2 3.94Å; L121-Y141 HydrophobicContact CG-CE2 3.44Å; L121-Y141 VanDerWaalsContact CG-CE2 3.44Å; L121-Y141 WeakPolarHBondContact CG-OH 3.39Å; L121-P187 HydrophobicContact CB-CB 3.96Å; L121-P187 HydrophobicContact CD1-CB 3.72Å; L121-P187 HydrophobicContact CD1-CG 4.37Å; L121-L188 WeakPolarHBondContact CA-O 3.21Å; L121-L189 HydrophobicContact CD2-CD2 3.4Å; L121-L189 HydrophobicContact CD2-CG 4.41Å; L121-L203 HydrophobicContact CD1-CD2 3.87Å
122I93.5Very high87.6Confident0 Ų034.4 Ų34.40%020%0.201CC..EExtended strand (participates in β ladder)trans-76.4123.8172.9-60.2156.6000108I125 V136 L166 F167 W180 P187 L188 I190 Y200I122-I125 HydrophobicContact CG2-CD1 4.29Å; I122-I125 HydrophobicContact CG2-CG1 4.02Å; I122-V136 HydrophobicContact CG1-CG1 4.07Å; I122-V136 HydrophobicContact CG2-CG1 3.73Å; I122-L166 HydrophobicContact CG1-CD1 4.17Å; I122-F167 HydrophobicContact CD1-CD2 4.38Å; I122-F167 HydrophobicContact CD1-CE2 3.46Å; I122-F167 VanDerWaalsContact CD1-CE2 3.46Å; I122-F167 HydrophobicContact CD1-CZ 3.68Å; I122-F167 HydrophobicContact CG1-CE2 4.46Å; I122-W180 HydrophobicContact CB-CH2 4.49Å; I122-W180 HydrophobicContact CG2-CH2 3.78Å; I122-W180 HydrophobicContact CG2-CZ3 3.73Å; I122-W180 WeakPolarHBondContact O-CH2 3.44Å; I122-P187 CarbonylContact O-C 3.6Å; I122-P187 VanDerWaalsContact O-CA 3.3Å; I122-P187 WeakPolarHBondContact O-CA 3.35Å; I122-L188 HydrophobicContact CB-CB 4.21Å; I122-L188 PolarHBondContact N-O 3.43Å; I122-L188 PolarHBondContact O-N 3.25Å; I122-I190 HydrophobicContact CD1-CD1 3.99Å; I122-I190 HydrophobicContact CD1-CG1 3.86Å; I122-I190 HydrophobicContact CG1-CD1 4.19Å; I122-I190 HydrophobicContact CG1-CG1 4.33Å; I122-Y200 HydrophobicContact CD1-CD1 3.83Å; I122-Y200 HydrophobicContact CD1-CE1 3.79Å
123V93.6Very high89.1Confident43 Ų4332.1 Ų32.126%0.26119%0.189SC..EExtended strand (participates in β ladder)trans-116.8-6.4-176.9-62.10000113.1L121 A137 H139 K146 P187L121-V123 PolarHBondContact O-N 2.9Å; V123-A137 HydrophobicContact CG2-CB 4.06Å; V123-A137 WeakPolarHBondContact CG2-O 3.49Å; V123-A137 PolarHBondContact N-O 3.37Å; V123-H139 HydrophobicContact CG1-CB 4.09Å; V123-K146 HydrophobicContact CG2-CD 4.21Å; V123-K146 HydrophobicContact CG2-CG 4.27Å; V123-P187 HydrophobicContact CG1-CB 4.17Å; V123-P187 HydrophobicContact CG1-CG 4.28Å
124G95.3Very high90.2Very high15 Ų1532.2 Ų32.216%0.15519%0.19CC..EExtended strand (participates in β ladder)trans-173.2153.2169.500000112.5V136 A137G124-V136 CarbonylContact O-C 3.5Å; G124-A137 PolarHBondContact N-O 3.37Å; G124-A137 PolarHBondContact O-N 2.95Å
125I96.8Very high91.2Very high13 Ų1335.9 Ų35.97%0.06721%0.206CC..EExtended strand (participates in β ladder)trans-132.6124172.2-61.8163.8000107I122 Y134 H135 V136 F167 L173 V176 Y177 W180I122-I125 HydrophobicContact CG2-CD1 4.29Å; I122-I125 HydrophobicContact CG2-CG1 4.02Å; I125-Y134 HydrophobicContact CG2-CD1 3.89Å; I125-H135 WeakPolarHBondContact CA-O 3.35Å; I125-V136 HydrophobicContact CG1-CG1 4.17Å; I125-V136 HydrophobicContact CG1-CG2 4.22Å; I125-V136 HydrophobicContact CG2-CG2 4.46Å; I125-F167 HydrophobicContact CD1-CE2 3.94Å; I125-F167 HydrophobicContact CD1-CZ 3.95Å; I125-L173 HydrophobicContact CD1-CD1 4.13Å; I125-L173 HydrophobicContact CG2-CD1 4.16Å; I125-V176 HydrophobicContact CD1-CG1 4.14Å; I125-Y177 HydrophobicContact CB-CD2 3.92Å; I125-Y177 HydrophobicContact CG2-CD2 3.53Å; I125-Y177 HydrophobicContact CG2-CE2 4.27Å; I125-Y177 HydrophobicContact CG2-CG 4.24Å; I125-Y177 WeakPolarHBondContact O-CE2 3.22Å; I125-W180 HydrophobicContact CD1-CE3 3.96Å; I125-W180 HydrophobicContact CD1-CZ3 3.95Å; I125-W180 HydrophobicContact CG1-CE3 4.4Å; I125-W180 HydrophobicContact CG1-CZ3 3.95Å
126N95.6Very high91.9Very high112 Ų11235.8 Ų35.860%0.59921%0.206SC*.EExtended strand (participates in β ladder)trans-116145.2170.6-66-47000109.5Y134 H135N126-Y134 CarbonylContact O-C 3.52Å; N126-Y134 VanDerWaalsContact O-CA 3.29Å; N126-Y134 WeakPolarHBondContact O-CA 3.46Å; N126-H135 HydrophobicContact CB-CB 4.28Å; N126-H135 PolarHBondContact N-O 3.21Å; N126-H135 PolarHBondContact O-N 3.36Å
127K95Very high92.5Very high90 Ų9036.2 Ų36.239%0.39121%0.21SC..EExtended strand (participates in β ladder)trans-114.1139.2179-165.7-169.880.6173.20109.9Y134 Y177K127-Y134 HydrophobicContact CB-CD1 4.07Å; K127-Y134 HydrophobicContact CB-CE1 3.96Å; K127-Y134 HydrophobicContact CD-CE1 3.75Å; K127-Y134 HydrophobicContact CD-CE2 4.18Å; K127-Y134 VanDerWaalsContact CD-CZ 3.5Å; K127-Y134 VanDerWaalsContact CD-OH 3.3Å; K127-Y134 WeakPolarHBondContact CD-OH 3.36Å; K127-Y134 HydrophobicContact CG-CD1 3.95Å; K127-Y134 HydrophobicContact CG-CD2 4.33Å; K127-Y134 HydrophobicContact CG-CE1 3.59Å; K127-Y134 HydrophobicContact CG-CE2 3.97Å; K127-Y134 HydrophobicContact CG-CG 4.31Å; K127-Y177 HydrophobicContact CB-CE1 4.26Å; K127-Y177 HydrophobicContact CB-CE2 4.46Å
128S94.7Very high92.9Very high28 Ų2837.3 Ų37.320%0.19621%0.214CC..  trans-61.7156.6166.967.40000111N130 G131 S132 V133S128-N130 VanDerWaalsContact C-N 3.29Å; S128-N130 PolarHBondContact O-N 3.01Å; S128-N130 PolarHBondContact OG-OD1 3.19Å; S128-G131 PolarHBondContact O-N 2.81Å; S128-G131 PolarHBondContact OG-N 2.87Å; S128-S132 PolarHBondContact OG-N 3.2Å; S128-V133 PolarHBondContact N-O 2.84Å; S128-V133 PolarHBondContact OG-N 3.09Å; S128-V133 PolarHBondContact OG-O 3.36Å
129S92.7Very high92.9Very high126 Ų12639.7 Ų39.788%0.88123%0.225SC*.THydrogen-bonded Turntrans-53.6-45.3-179.650.80000112.6G131S129-G131 VanDerWaalsContact C-N 3.3Å; S129-G131 PolarHBondContact O-N 2.91Å
130N92.1Very high92.9Very high114 Ų11440.2 Ų40.261%0.6123%0.228SC*.THydrogen-bonded Turntrans-79.8-2.7177.968-1.3000114.5S128 S132S128-N130 VanDerWaalsContact C-N 3.29Å; S128-N130 PolarHBondContact O-N 3.01Å; S128-N130 PolarHBondContact OG-OD1 3.19Å; N130-S132 PolarHBondContact ND2-OG 2.82Å; N130-S132 PolarHBondContact O-N 3.28Å; N130-S132 WeakPolarHBondContact OD1-CB 3.31Å; N130-S132 PolarHBondContact OD1-N 2.72Å; N130-S132 PolarHBondContact OD1-OG 2.95Å
131G89.9Confident92.2Very high14 Ų1440.1 Ų40.114%0.14423%0.227CC..SBendtrans69.511.1-178.500000116S128 S129S128-G131 PolarHBondContact O-N 2.81Å; S128-G131 PolarHBondContact OG-N 2.87Å; S129-G131 VanDerWaalsContact C-N 3.3Å; S129-G131 PolarHBondContact O-N 2.91Å
132S93.5Very high91.2Very high41 Ų4142 Ų4229%0.28724%0.243SC..SBendtrans-80.4-15.2178.5660000113.8S128 N130 R152 V153S128-S132 PolarHBondContact OG-N 3.2Å; N130-S132 PolarHBondContact ND2-OG 2.82Å; N130-S132 PolarHBondContact O-N 3.28Å; N130-S132 WeakPolarHBondContact OD1-CB 3.31Å; N130-S132 PolarHBondContact OD1-N 2.72Å; N130-S132 PolarHBondContact OD1-OG 2.95Å; S132-R152 CarbonylContact O-C 3.54Å; S132-V153 PolarHBondContact O-N 3.47Å
133V94.6Very high90.1Very high30 Ų3045.5 Ų45.518%0.18227%0.265CS..EExtended strand (participates in β ladder)trans-138.6134-180-174.70000110.1S128 L150 R152S128-V133 PolarHBondContact N-O 2.84Å; S128-V133 PolarHBondContact OG-N 3.09Å; S128-V133 PolarHBondContact OG-O 3.36Å; V133-L150 HydrophobicContact CG1-CD2 4.33Å; V133-R152 HydrophobicContact CG2-CG 4.35Å
134Y95.5Very high89.1Confident7 Ų745.8 Ų45.83%0.02728%0.276CS..EExtended strand (participates in β ladder)trans-113.6128.4167-67.5-106.8000109.4I125 N126 K127 H151 V153 L170 L173 K174 Y177I125-Y134 HydrophobicContact CG2-CD1 3.89Å; N126-Y134 CarbonylContact O-C 3.52Å; N126-Y134 VanDerWaalsContact O-CA 3.29Å; N126-Y134 WeakPolarHBondContact O-CA 3.46Å; K127-Y134 HydrophobicContact CB-CD1 4.07Å; K127-Y134 HydrophobicContact CB-CE1 3.96Å; K127-Y134 HydrophobicContact CD-CE1 3.75Å; K127-Y134 HydrophobicContact CD-CE2 4.18Å; K127-Y134 VanDerWaalsContact CD-CZ 3.5Å; K127-Y134 VanDerWaalsContact CD-OH 3.3Å; K127-Y134 WeakPolarHBondContact CD-OH 3.36Å; K127-Y134 HydrophobicContact CG-CD1 3.95Å; K127-Y134 HydrophobicContact CG-CD2 4.33Å; K127-Y134 HydrophobicContact CG-CE1 3.59Å; K127-Y134 HydrophobicContact CG-CE2 3.97Å; K127-Y134 HydrophobicContact CG-CG 4.31Å; Y134-H151 PolarHBondContact N-O 3.14Å; Y134-H151 PolarHBondContact O-N 3.17Å; Y134-V153 HydrophobicContact CD2-CG2 3.98Å; Y134-V153 HydrophobicContact CE2-CG2 4.05Å; Y134-L170 HydrophobicContact CE2-CD1 4.16Å; Y134-L173 HydrophobicContact CD1-CD1 4.17Å; Y134-L173 HydrophobicContact CD1-CD2 4.05Å; Y134-L173 HydrophobicContact CD1-CG 4.04Å; Y134-L173 HydrophobicContact CD2-CD2 3.89Å; Y134-L173 HydrophobicContact CE1-CG 4.31Å; Y134-L173 HydrophobicContact CE2-CD2 4.44Å; Y134-L173 HydrophobicContact CG-CD1 4.49Å; Y134-L173 HydrophobicContact CG-CD2 3.69Å; Y134-L173 HydrophobicContact CG-CG 4.2Å; Y134-K174 WeakPolarHBondContact OH-CG 2.91Å; Y134-Y177 HydrophobicContact CE1-CD1 4.31Å; Y134-Y177 HydrophobicContact CE1-CG 4.26Å
135H95.3Very high88.5Confident79 Ų7953.5 Ų53.537%0.36630%0.301SS..EExtended strand (participates in β ladder)trans-96.5105.1173.7-63.1-112.4000107.6I125 N126 T148 L150I125-H135 WeakPolarHBondContact CA-O 3.35Å; N126-H135 HydrophobicContact CB-CB 4.28Å; N126-H135 PolarHBondContact N-O 3.21Å; N126-H135 PolarHBondContact O-N 3.36Å; H135-T148 HydrophobicContact CB-CG2 4.05Å; H135-L150 HydrophobicContact CB-CD2 4.41Å; H135-L150 WeakPolarHBondContact CE1-CD2 3.07Å; H135-L150 WeakPolarHBondContact ND1-CD2 3.4Å
136V95.8Very high88.1Confident0 Ų059.8 Ų59.80%033%0.327CS..EExtended strand (participates in β ladder)trans-99.3104.9179.9-174.50000108.3I122 G124 I125 T148 V149 H151 L166 F167 L173I122-V136 HydrophobicContact CG1-CG1 4.07Å; I122-V136 HydrophobicContact CG2-CG1 3.73Å; G124-V136 CarbonylContact O-C 3.5Å; I125-V136 HydrophobicContact CG1-CG1 4.17Å; I125-V136 HydrophobicContact CG1-CG2 4.22Å; I125-V136 HydrophobicContact CG2-CG2 4.46Å; V136-T148 WeakPolarHBondContact O-CA 3.27Å; V136-V149 PolarHBondContact N-O 2.64Å; V136-V149 PolarHBondContact O-N 2.61Å; V136-H151 WeakPolarHBondContact CG2-CE1 3.36Å; V136-H151 VanDerWaalsContact CG2-ND1 3.32Å; V136-H151 WeakPolarHBondContact CG2-ND1 3.38Å; V136-L166 HydrophobicContact CG1-CB 4.31Å; V136-L166 HydrophobicContact CG1-CD1 3.82Å; V136-F167 HydrophobicContact CG1-CD2 4.38Å; V136-F167 HydrophobicContact CG1-CE2 4.07Å; V136-F167 HydrophobicContact CG2-CD2 4.22Å; V136-F167 HydrophobicContact CG2-CE2 4.39Å; V136-L173 HydrophobicContact CG2-CD1 4.32Å
137A95Very high88Confident10 Ų1057 Ų578%0.08331%0.313CS..EExtended strand (participates in β ladder)trans-81.3133174.800000109.6V123 G124 N147V123-A137 HydrophobicContact CG2-CB 4.06Å; V123-A137 WeakPolarHBondContact CG2-O 3.49Å; V123-A137 PolarHBondContact N-O 3.37Å; G124-A137 PolarHBondContact N-O 3.37Å; G124-A137 PolarHBondContact O-N 2.95Å; A137-N147 CarbonylContact C-O 3.59Å; A137-N147 VanDerWaalsContact CA-O 3.32Å; A137-N147 WeakPolarHBondContact CA-O 3.37Å
138Y93Very high87.9Confident22 Ų2256.4 Ų56.49%0.08632%0.317CS..EExtended strand (participates in β ladder)trans-135.8152.717867.8-80.9000111.4R120 L121 D140 K146 N147 V149 L166R120-Y138 HydrophobicContact CB-CD2 3.88Å; R120-Y138 VanDerWaalsContact CD-CE2 3.43Å; R120-Y138 HydrophobicContact CG-CD2 3.63Å; R120-Y138 HydrophobicContact CG-CE2 3.82Å; L121-Y138 CarbonylContact O-C 3.57Å; L121-Y138 WeakPolarHBondContact O-CA 3.21Å; L121-Y138 VanDerWaalsContact O-CB 3.23Å; L121-Y138 WeakPolarHBondContact O-CB 3.31Å; Y138-D140 HydrophobicContact CD2-CB 4.31Å; Y138-D140 HydrophobicContact CE2-CB 3.99Å; Y138-K146 CarbonylContact O-C 3.13Å; Y138-K146 WeakPolarHBondContact O-CA 3.1Å; Y138-N147 HydrophobicContact CD1-CB 4.14Å; Y138-N147 HydrophobicContact CD2-CB 4.34Å; Y138-N147 HydrophobicContact CE1-CB 3.51Å; Y138-N147 HydrophobicContact CE2-CB 3.77Å; Y138-N147 PolarHBondContact N-O 3.2Å; Y138-N147 PolarHBondContact O-N 3.11Å; Y138-N147 WeakPolarHBondContact OH-CB 3.16Å; Y138-V149 HydrophobicContact CD1-CG2 4.28Å; Y138-V149 HydrophobicContact CE1-CB 4.33Å; Y138-V149 HydrophobicContact CE1-CG2 3.47Å; Y138-V149 VanDerWaalsContact CE1-CG2 3.47Å; Y138-L166 HydrophobicContact CD1-CD1 3.52Å; Y138-L166 HydrophobicContact CE1-CD1 4.29Å; Y138-L166 HydrophobicContact CG-CD1 3.69Å
139H89Confident87.8Confident51 Ų5155.2 Ų55.224%0.23631%0.308CS..EExtended strand (participates in β ladder)trans-96.7126.5168.8-172.7-114.1000108.3R120 L121 V123 Y141 G144R120-H139 WeakPolarHBondContact CA-O 3.29Å; L121-H139 PolarHBondContact N-O 3.02Å; L121-H139 VanDerWaalsContact N-O 3.09Å; L121-H139 PolarHBondContact O-N 3.15Å; V123-H139 HydrophobicContact CG1-CB 4.09Å; H139-Y141 AromaticContact CE1-CD1 3.75Å; H139-Y141 AromaticContact CE1-CE1 3.79Å; H139-Y141 AromaticContact ND1-CD1 3.59Å; H139-Y141 AromaticContact ND1-CE1 3.38Å; H139-Y141 WeakPolarHBondContact ND1-CE1 2.71Å; H139-G144 VanDerWaalsContact NE2-C 3.28Å; H139-G144 PolarHBondContact NE2-O 3.47Å
140D83.1Confident87.8Confident12 Ų1252.5 Ų52.56%0.06428%0.283CS..EExtended strand (participates in β ladder)trans-99.6108.3175.7-168.4-43.8000108.5R120 Y138 A142 T143 G144 R145R120-D140 IonicContact CZ-OD2 3.38Å; R120-D140 IonicContact NE-OD2 2.61Å; R120-D140 PolarHBondContact NE-OD2 2.93Å; R120-D140 IonicContact NH2-OD2 3.49Å; R120-D140 PolarHBondContact NH2-OD2 2.8Å; Y138-D140 HydrophobicContact CD2-CB 4.31Å; Y138-D140 HydrophobicContact CE2-CB 3.99Å; D140-A142 VanDerWaalsContact C-N 3.34Å; D140-A142 PolarHBondContact O-N 3.3Å; D140-A142 PolarHBondContact OD1-N 3.34Å; D140-T143 PolarHBondContact O-N 3.49Å; D140-T143 VanDerWaalsContact O-N 3.16Å; D140-T143 PolarHBondContact O-OG1 2.92Å; D140-G144 PolarHBondContact O-N 3.18Å; D140-R145 PolarHBondContact N-O 3.23Å
141Y72.7Confident88Confident32 Ų3247 Ų4713%0.12525%0.254CS..G310 helixtrans-60.1-42.8-173-79.6-55.8000113.3L44 Q55 P56 G119 L121 H139 T143 G144L44-Y141 HydrophobicContact CD1-CE1 3.59Å; L44-Y141 WeakPolarHBondContact CD1-OH 3.24Å; L44-Y141 HydrophobicContact CD2-CD1 3.32Å; L44-Y141 HydrophobicContact CD2-CD2 3.87Å; L44-Y141 HydrophobicContact CD2-CE1 3Å; L44-Y141 HydrophobicContact CD2-CE2 3.52Å; L44-Y141 HydrophobicContact CD2-CG 3.79Å; L44-Y141 HydrophobicContact CG-CD1 4.4Å; L44-Y141 HydrophobicContact CG-CE1 3.62Å; L44-Y141 HydrophobicContact CG-CE2 4.02Å; L44-Y141 WeakPolarHBondContact CG-OH 3.2Å; Q55-Y141 PolarHBondContact OE1-O 2.84Å; P56-Y141 HydrophobicContact CB-CD2 3.91Å; P56-Y141 HydrophobicContact CB-CG 4.48Å; P56-Y141 HydrophobicContact CG-CD2 3.81Å; P56-Y141 HydrophobicContact CG-CE2 4.42Å; P56-Y141 HydrophobicContact CG-CG 4.22Å; G119-Y141 WeakPolarHBondContact O-CD2 3.44Å; L121-Y141 HydrophobicContact CD1-CE2 3.85Å; L121-Y141 WeakPolarHBondContact CD1-OH 3.18Å; L121-Y141 HydrophobicContact CD2-CE2 3.94Å; L121-Y141 HydrophobicContact CG-CE2 3.44Å; L121-Y141 VanDerWaalsContact CG-CE2 3.44Å; L121-Y141 WeakPolarHBondContact CG-OH 3.39Å; H139-Y141 AromaticContact CE1-CD1 3.75Å; H139-Y141 AromaticContact CE1-CE1 3.79Å; H139-Y141 AromaticContact ND1-CD1 3.59Å; H139-Y141 AromaticContact ND1-CE1 3.38Å; H139-Y141 WeakPolarHBondContact ND1-CE1 2.71Å; Y141-T143 PolarHBondContact O-N 3.5Å; Y141-G144 PolarHBondContact O-N 2.89Å; Y141-G144 VanDerWaalsContact O-N 3.15Å
142A67.5Low88.2Confident42 Ų4253.1 Ų53.135%0.34727%0.273SS..G310 helixtrans-60.2-21.3-178.700000113.3Q55 D140Q55-A142 VanDerWaalsContact OE1-CA 3.32Å; Q55-A142 PolarHBondContact OE1-O 3.35Å; D140-A142 VanDerWaalsContact C-N 3.34Å; D140-A142 PolarHBondContact O-N 3.3Å; D140-A142 PolarHBondContact OD1-N 3.34Å
143T71.8Confident88.2Confident75 Ų7552.6 Ų52.646%0.4627%0.268SS..G310 helixtrans-113.2-12179.967.40000113.4D140 Y141 R145D140-T143 PolarHBondContact O-N 3.49Å; D140-T143 VanDerWaalsContact O-N 3.16Å; D140-T143 PolarHBondContact O-OG1 2.92Å; Y141-T143 PolarHBondContact O-N 3.5Å; T143-R145 WeakPolarHBondContact O-CG 2.82Å; T143-R145 PolarHBondContact O-N 2.69Å; T143-R145 VanDerWaalsContact O-N 3.1Å; T143-R145 WeakPolarHBondContact OG1-CB 3.39Å; T143-R145 PolarHBondContact OG1-N 2.8Å
144G72.5Confident88Confident48 Ų4853.8 Ų53.850%0.49528%0.277SS..THydrogen-bonded Turntrans62.85-168.200000114.6H139 D140 Y141H139-G144 VanDerWaalsContact NE2-C 3.28Å; H139-G144 PolarHBondContact NE2-O 3.47Å; D140-G144 PolarHBondContact O-N 3.18Å; Y141-G144 PolarHBondContact O-N 2.89Å; Y141-G144 VanDerWaalsContact O-N 3.15Å
145R83Confident87.8Confident178 Ų17860.4 Ų60.467%0.67231%0.313SS*.EExtended strand (participates in β ladder)trans-93.6143.8-172.5-65.4176.6-174.2-173.81111.9D140 T143 N147D140-R145 PolarHBondContact N-O 3.23Å; T143-R145 WeakPolarHBondContact O-CG 2.82Å; T143-R145 PolarHBondContact O-N 2.69Å; T143-R145 VanDerWaalsContact O-N 3.1Å; T143-R145 WeakPolarHBondContact OG1-CB 3.39Å; T143-R145 PolarHBondContact OG1-N 2.8Å; R145-N147 PolarHBondContact O-ND2 2.93Å
146K88.7Confident87.5Confident144 Ų14464.1 Ų64.163%0.62633%0.33SS*.EExtended strand (participates in β ladder)trans-84.9119.9165.5-173.5175.5177.6175.90109.1V123 Y138V123-K146 HydrophobicContact CG2-CD 4.21Å; V123-K146 HydrophobicContact CG2-CG 4.27Å; Y138-K146 CarbonylContact O-C 3.13Å; Y138-K146 WeakPolarHBondContact O-CA 3.1Å
147N92.9Very high87.3Confident54 Ų5467.9 Ų67.929%0.28935%0.354SS..EExtended strand (participates in β ladder)trans-116.7169.2179.6-67.2-61.7000110.1A137 Y138 R145A137-N147 CarbonylContact C-O 3.59Å; A137-N147 VanDerWaalsContact CA-O 3.32Å; A137-N147 WeakPolarHBondContact CA-O 3.37Å; Y138-N147 HydrophobicContact CD1-CB 4.14Å; Y138-N147 HydrophobicContact CD2-CB 4.34Å; Y138-N147 HydrophobicContact CE1-CB 3.51Å; Y138-N147 HydrophobicContact CE2-CB 3.77Å; Y138-N147 PolarHBondContact N-O 3.2Å; Y138-N147 PolarHBondContact O-N 3.11Å; Y138-N147 WeakPolarHBondContact OH-CB 3.16Å; R145-N147 PolarHBondContact O-ND2 2.93Å
148T92.3Very high87.1Confident77 Ų7767.8 Ų67.847%0.47235%0.352SS..EExtended strand (participates in β ladder)trans-135.4136.8175.4-61.30000109.9H135 V136H135-T148 HydrophobicContact CB-CG2 4.05Å; V136-T148 WeakPolarHBondContact O-CA 3.27Å
149V93.1Very high86.8Confident4 Ų469.7 Ų69.72%0.02436%0.363CS..EExtended strand (participates in β ladder)trans-113.9140170.8167.50000109.1M60 V136 Y138 G164M60-V149 HydrophobicContact CE-CB 4.13Å; M60-V149 HydrophobicContact CE-CG1 3.9Å; M60-V149 HydrophobicContact CE-CG2 3.29Å; M60-V149 HydrophobicContact SD-CG2 4.39Å; V136-V149 PolarHBondContact N-O 2.64Å; V136-V149 PolarHBondContact O-N 2.61Å; Y138-V149 HydrophobicContact CD1-CG2 4.28Å; Y138-V149 HydrophobicContact CE1-CB 4.33Å; Y138-V149 HydrophobicContact CE1-CG2 3.47Å; Y138-V149 VanDerWaalsContact CE1-CG2 3.47Å; V149-G164 WeakPolarHBondContact CG1-O 3.28Å
150L93.3Very high85.8Confident68 Ų6870 Ų7036%0.35637%0.374SS..EExtended strand (participates in β ladder)trans-96.3117.6178.4-60.2-178.9000109.9V133 H135V133-L150 HydrophobicContact CG1-CD2 4.33Å; H135-L150 HydrophobicContact CB-CD2 4.41Å; H135-L150 WeakPolarHBondContact CE1-CD2 3.07Å; H135-L150 WeakPolarHBondContact ND1-CD2 3.4Å
151H94.6Very high85.3Confident0 Ų070.7 Ų70.70%038%0.38CS..EExtended strand (participates in β ladder)trans-99.395.3171.7-59.261.1000107.6Y134 V136 I158 L166 F167 L173Y134-H151 PolarHBondContact N-O 3.14Å; Y134-H151 PolarHBondContact O-N 3.17Å; V136-H151 WeakPolarHBondContact CG2-CE1 3.36Å; V136-H151 VanDerWaalsContact CG2-ND1 3.32Å; V136-H151 WeakPolarHBondContact CG2-ND1 3.38Å; H151-I158 HydrophobicContact CB-CG2 4.05Å; H151-L166 PolarHBondContact CE1-N 2.76Å; H151-L166 PolarHBondContact NE2-N 3.29Å; H151-F167 PolarHBondContact CD2-O 2.98Å; H151-F167 AromaticContact NE2-CD2 3.94Å; H151-F167 PolarHBondContact NE2-N 2.83Å; H151-L173 HydrophobicContact CB-CD2 4.21Å
152R94.3Very high85.1Confident142 Ų14275.7 Ų75.754%0.53642%0.419SS..EExtended strand (participates in β ladder)trans-77.7141.5174.4-68.2177.7-178.7161.80109.2S132 V133 I158 I159S132-R152 CarbonylContact O-C 3.54Å; V133-R152 HydrophobicContact CG2-CG 4.35Å; R152-I158 CarbonylContact O-C 3.46Å; R152-I158 WeakPolarHBondContact O-CA 3.23Å; R152-I159 HydrophobicContact CB-CD1 3.65Å; R152-I159 HydrophobicContact CB-CG1 3.43Å; R152-I159 VanDerWaalsContact CB-CG1 3.43Å; R152-I159 WeakPolarHBondContact O-CG1 3.23Å; R152-I159 PolarHBondContact O-N 2.81Å
153V93.6Very high85.6Confident30 Ų3077.1 Ų77.118%0.18243%0.427CS..EExtended strand (participates in β ladder)trans-115.9124.9-176.8179.80000109.3S132 Y134 T157 L170S132-V153 PolarHBondContact O-N 3.47Å; Y134-V153 HydrophobicContact CD2-CG2 3.98Å; Y134-V153 HydrophobicContact CE2-CG2 4.05Å; V153-T157 VanDerWaalsContact CA-O 3.31Å; V153-T157 WeakPolarHBondContact CA-O 3.25Å; V153-L170 HydrophobicContact CG1-CD1 4.32Å; V153-L170 HydrophobicContact CG1-CD2 3.55Å; V153-L170 HydrophobicContact CG2-CD1 3.64Å; V153-L170 HydrophobicContact CG2-CD2 4.4Å
154S91.8Very high86.3Confident54 Ų5473.7 Ų73.738%0.37841%0.406SS..EExtended strand (participates in β ladder)trans-138.8138170.7-172.40000108.9H156 T157S154-H156 PolarHBondContact O-N 3.38Å; S154-H156 VanDerWaalsContact O-N 3.16Å; S154-T157 PolarHBondContact N-O 2.82Å; S154-T157 PolarHBondContact O-N 3Å; S154-T157 VanDerWaalsContact O-O 3.11Å; S154-T157 PolarHBondContact O-OG1 2.78Å
155N89.9Confident87.3Confident146 Ų14671.4 Ų71.478%0.78138%0.383SS*.THydrogen-bonded Turntrans48.245.1179.6-61.1-21.2000113.3T157N155-T157 PolarHBondContact O-N 3.28Å; N155-T157 VanDerWaalsContact O-N 3.15Å
156H89Confident87.8Confident157 Ų15762.9 Ų62.973%0.72735%0.351SS*.THydrogen-bonded Turntrans60.818.5-178.6-56.986.9000115.5S154 L170S154-H156 PolarHBondContact O-N 3.38Å; S154-H156 VanDerWaalsContact O-N 3.16Å; H156-L170 VanDerWaalsContact C-CD2 3.46Å; H156-L170 VanDerWaalsContact O-CD2 3.26Å; H156-L170 WeakPolarHBondContact O-CD2 3.09Å
157T91.2Very high88Confident80 Ų8056 Ų5649%0.49132%0.321SS..EExtended strand (participates in β ladder)trans-125.1152.6177.562.90000110.9V153 S154 N155V153-T157 VanDerWaalsContact CA-O 3.31Å; V153-T157 WeakPolarHBondContact CA-O 3.25Å; S154-T157 PolarHBondContact N-O 2.82Å; S154-T157 PolarHBondContact O-N 3Å; S154-T157 VanDerWaalsContact O-O 3.11Å; S154-T157 PolarHBondContact O-OG1 2.78Å; N155-T157 PolarHBondContact O-N 3.28Å; N155-T157 VanDerWaalsContact O-N 3.15Å
158I90.9Very high87.8Confident7 Ų756 Ų564%0.03632%0.317CS..EExtended strand (participates in β ladder)trans-80.9119.8171.7-64.1167.9000107H151 R152 V165 F167 L170 L173H151-I158 HydrophobicContact CB-CG2 4.05Å; R152-I158 CarbonylContact O-C 3.46Å; R152-I158 WeakPolarHBondContact O-CA 3.23Å; I158-V165 HydrophobicContact CG2-CG1 3.9Å; I158-F167 HydrophobicContact CD1-CB 4.1Å; I158-F167 WeakPolarHBondContact CD1-O 3.24Å; I158-L170 HydrophobicContact CD1-CB 4.38Å; I158-L170 HydrophobicContact CG1-CB 4.14Å; I158-L170 HydrophobicContact CG1-CD1 4.26Å; I158-L173 HydrophobicContact CD1-CD2 3.95Å
159I87.8Confident87.7Confident63 Ų6356 Ų5632%0.32331%0.314SS..PPolyproline II helixtrans-87.1160.7179.964.5170.2000111.4R152 S161R152-I159 HydrophobicContact CB-CD1 3.65Å; R152-I159 HydrophobicContact CB-CG1 3.43Å; R152-I159 VanDerWaalsContact CB-CG1 3.43Å; R152-I159 WeakPolarHBondContact O-CG1 3.23Å; R152-I159 PolarHBondContact O-N 2.81Å; I159-S161 PolarHBondContact O-N 3.23Å
160A68.1Low87.6Confident57 Ų5756.2 Ų56.247%0.47132%0.315SS..PPolyproline II helixtrans-61.9119.5-174.400000113.8P63 F64P63-A160 HydrophobicContact CG-CB 3.9Å; F64-A160 HydrophobicContact CE2-CB 3.83Å; F64-A160 HydrophobicContact CZ-CB 3.96Å
161S71.5Confident87.6Confident27 Ų2757 Ų5719%0.18933%0.326CS..PPolyproline II helixtrans-83.5137.7155.5142.50000107.8I159 S163 G164I159-S161 PolarHBondContact O-N 3.23Å; S161-S163 PolarHBondContact O-N 2.9Å; S161-S163 PolarHBondContact OG-N 2.87Å; S161-S163 PolarHBondContact OG-OG 3.49Å; S161-G164 VanDerWaalsContact CB-O 3.28Å; S161-G164 WeakPolarHBondContact CB-O 3.29Å; S161-G164 PolarHBondContact O-N 3.27Å; S161-G164 VanDerWaalsContact O-N 3.09Å; S161-G164 PolarHBondContact OG-N 2.96Å; S161-G164 PolarHBondContact OG-O 3.24Å
162S70.4Confident87.4Confident136 Ų13658.4 Ų58.495%0.95133%0.333SS*.THydrogen-bonded Turntrans-60.3-24.9175.848.90000112.8
163S76.3Confident87.4Confident72 Ų7251.7 Ų51.750%0.50331%0.308SS..THydrogen-bonded Turntrans-97.46.917962.20000113.2M60 S161M60-S163 WeakPolarHBondContact CE-O 3.35Å; M60-S163 WeakPolarHBondContact CG-O 3.5Å; S161-S163 PolarHBondContact O-N 2.9Å; S161-S163 PolarHBondContact OG-N 2.87Å; S161-S163 PolarHBondContact OG-OG 3.49Å
164G88.2Confident87.4Confident3 Ų353.9 Ų53.93%0.03132%0.315CS..  trans81.3-176.5-173.200000114M60 L61 V149 S161M60-G164 VanDerWaalsContact CE-C 3.42Å; M60-G164 WeakPolarHBondContact CE-O 3.39Å; L61-G164 CarbonylContact O-C 3.12Å; L61-G164 VanDerWaalsContact O-CA 3.31Å; L61-G164 WeakPolarHBondContact O-CA 3.48Å; V149-G164 WeakPolarHBondContact CG1-O 3.28Å; S161-G164 VanDerWaalsContact CB-O 3.28Å; S161-G164 WeakPolarHBondContact CB-O 3.29Å; S161-G164 PolarHBondContact O-N 3.27Å; S161-G164 VanDerWaalsContact O-N 3.09Å; S161-G164 PolarHBondContact OG-N 2.96Å; S161-G164 PolarHBondContact OG-O 3.24Å
165V92.7Very high87.5Confident0 Ų053.2 Ų53.20%031%0.306CS..BIsolated β-bridgetrans-130.6161.6-174.4-61.90000112L61 P63 I158 F167L61-V165 WeakPolarHBondContact CA-O 3.43Å; L61-V165 HydrophobicContact CB-CG2 4.09Å; L61-V165 VanDerWaalsContact CB-O 3.25Å; L61-V165 WeakPolarHBondContact CB-O 3.42Å; L61-V165 PolarHBondContact N-O 3.03Å; L61-V165 WeakPolarHBondContact O-CG2 3.49Å; L61-V165 PolarHBondContact O-N 3.09Å; P63-V165 HydrophobicContact CB-CG1 4.48Å; P63-V165 HydrophobicContact CB-CG2 4.39Å; I158-V165 HydrophobicContact CG2-CG1 3.9Å; V165-F167 VanDerWaalsContact CG2-O 3.28Å; V165-F167 WeakPolarHBondContact CG2-O 3.39Å
166L93.8Very high87.7Confident0 Ų046.2 Ų46.20%027%0.269CS..SBendtrans-102.2-7.4170.4-62178.3000113.6M60 R120 I122 V136 Y138 H151 I190 Y200M60-L166 HydrophobicContact CE-CD2 4.2Å; M60-L166 HydrophobicContact CE-CG 4.31Å; M60-L166 HydrophobicContact SD-CD2 3.68Å; M60-L166 HydrophobicContact SD-CG 4.39Å; R120-L166 HydrophobicContact CB-CD2 4.49Å; I122-L166 HydrophobicContact CG1-CD1 4.17Å; V136-L166 HydrophobicContact CG1-CB 4.31Å; V136-L166 HydrophobicContact CG1-CD1 3.82Å; Y138-L166 HydrophobicContact CD1-CD1 3.52Å; Y138-L166 HydrophobicContact CE1-CD1 4.29Å; Y138-L166 HydrophobicContact CG-CD1 3.69Å; H151-L166 PolarHBondContact CE1-N 2.76Å; H151-L166 PolarHBondContact NE2-N 3.29Å; L166-I190 HydrophobicContact CB-CD1 4.13Å; L166-I190 HydrophobicContact CD2-CD1 3.76Å; L166-I190 HydrophobicContact CG-CD1 4.39Å; L166-Y200 WeakPolarHBondContact O-CE1 3.48Å; L166-Y200 PolarHBondContact O-OH 2.87Å
167F93.1Very high87.9Confident0 Ų043.1 Ų43.10%025%0.251CS..  trans-136.9120.4175.4-73.4-94.5000107.1I122 I125 V136 H151 I158 V165 I172 L173 V176 Y200I122-F167 HydrophobicContact CD1-CD2 4.38Å; I122-F167 HydrophobicContact CD1-CE2 3.46Å; I122-F167 VanDerWaalsContact CD1-CE2 3.46Å; I122-F167 HydrophobicContact CD1-CZ 3.68Å; I122-F167 HydrophobicContact CG1-CE2 4.46Å; I125-F167 HydrophobicContact CD1-CE2 3.94Å; I125-F167 HydrophobicContact CD1-CZ 3.95Å; V136-F167 HydrophobicContact CG1-CD2 4.38Å; V136-F167 HydrophobicContact CG1-CE2 4.07Å; V136-F167 HydrophobicContact CG2-CD2 4.22Å; V136-F167 HydrophobicContact CG2-CE2 4.39Å; H151-F167 PolarHBondContact CD2-O 2.98Å; H151-F167 AromaticContact NE2-CD2 3.94Å; H151-F167 PolarHBondContact NE2-N 2.83Å; I158-F167 HydrophobicContact CD1-CB 4.1Å; I158-F167 WeakPolarHBondContact CD1-O 3.24Å; V165-F167 VanDerWaalsContact CG2-O 3.28Å; V165-F167 WeakPolarHBondContact CG2-O 3.39Å; F167-I172 HydrophobicContact CD1-CG2 4.37Å; F167-I172 HydrophobicContact CE1-CG2 4.4Å; F167-L173 HydrophobicContact CB-CB 3.98Å; F167-L173 HydrophobicContact CB-CD1 4.43Å; F167-L173 HydrophobicContact CB-CD2 4.44Å; F167-L173 HydrophobicContact CD1-CB 3.83Å; F167-L173 HydrophobicContact CD1-CD1 4.19Å; F167-L173 HydrophobicContact CD2-CD1 3.67Å; F167-L173 HydrophobicContact CE1-CB 4.47Å; F167-L173 HydrophobicContact CE1-CD1 4.35Å; F167-L173 HydrophobicContact CE2-CD1 3.83Å; F167-L173 HydrophobicContact CG-CB 3.9Å; F167-L173 HydrophobicContact CG-CD1 3.85Å; F167-L173 HydrophobicContact CG-CG 4.35Å; F167-L173 HydrophobicContact CZ-CD1 4.18Å; F167-V176 HydrophobicContact CE1-CB 4.1Å; F167-V176 HydrophobicContact CE1-CG1 4.27Å; F167-V176 HydrophobicContact CE1-CG2 4.06Å; F167-V176 HydrophobicContact CZ-CB 4.3Å; F167-V176 HydrophobicContact CZ-CG1 4.01Å; F167-Y200 WeakPolarHBondContact CA-OH 3.46Å; F167-Y200 HydrophobicContact CD1-CD2 4.35Å; F167-Y200 AromaticContact CD1-CE1 3.86Å; F167-Y200 HydrophobicContact CD1-CE1 3.86Å; F167-Y200 AromaticContact CD1-CE2 3.66Å; F167-Y200 HydrophobicContact CD1-CE2 3.66Å; F167-Y200 AromaticContact CD1-CZ 3.37Å; F167-Y200 WeakPolarHBondContact CD1-OH 3.31Å; F167-Y200 HydrophobicContact CD2-CE1 4.49Å; F167-Y200 AromaticContact CE1-CD1 3.83Å; F167-Y200 HydrophobicContact CE1-CD1 3.83Å; F167-Y200 AromaticContact CE1-CD2 3.88Å; F167-Y200 HydrophobicContact CE1-CD2 3.88Å; F167-Y200 AromaticContact CE1-CE1 3.55Å; F167-Y200 HydrophobicContact CE1-CE1 3.55Å; F167-Y200 AromaticContact CE1-CE2 3.64Å; F167-Y200 HydrophobicContact CE1-CE2 3.64Å; F167-Y200 AromaticContact CE1-CG 3.99Å; F167-Y200 HydrophobicContact CE1-CG 3.99Å; F167-Y200 AromaticContact CE1-CZ 3.46Å; F167-Y200 VanDerWaalsContact CE1-CZ 3.46Å; F167-Y200 HydrophobicContact CE2-CE1 4.23Å; F167-Y200 HydrophobicContact CG-CE1 4.32Å; F167-Y200 AromaticContact CG-CZ 3.98Å; F167-Y200 AromaticContact CZ-CD1 3.93Å; F167-Y200 HydrophobicContact CZ-CD1 3.93Å; F167-Y200 AromaticContact CZ-CE1 3.75Å; F167-Y200 HydrophobicContact CZ-CE1 3.75Å; F167-Y200 HydrophobicContact CZ-CG 4.42Å
168R88.5Confident88Confident52 Ų5246.9 Ų46.920%0.19626%0.263CS..SBendtrans-83.6-38.6174-169.2-177.7-63.1159.14.3111.3F62 D65 E69F62-R168 PolarHBondContact O-NE 2.96Å; F62-R168 VanDerWaalsContact O-NE 3.07Å; D65-R168 WeakPolarHBondContact OD1-CD 3.43Å; D65-R168 IonicContact OD1-CZ 2.93Å; D65-R168 IonicContact OD1-NE 3.05Å; D65-R168 PolarHBondContact OD1-NE 3.47Å; D65-R168 IonicContact OD1-NH1 3.2Å; D65-R168 PolarHBondContact OD1-NH1 3.37Å; E69-R168 IonicContact OE1-CZ 3.17Å; E69-R168 IonicContact OE1-NE 3.91Å; E69-R168 IonicContact OE1-NH2 2.64Å; E69-R168 PolarHBondContact OE1-NH2 2.79Å; E69-R168 IonicContact OE2-NH2 3.68Å; E69-R168 PolarHBondContact OE2-NH2 3.36Å
169N89Confident87.9Confident77 Ų7751.2 Ų51.241%0.41228%0.282SS..  trans-100.5122.7-175.1-173-49.4000111.4S171 I172 L173N169-S171 WeakPolarHBondContact OD1-CA 3.42Å; N169-S171 VanDerWaalsContact OD1-CB 3.29Å; N169-S171 WeakPolarHBondContact OD1-CB 3.45Å; N169-S171 PolarHBondContact OD1-N 2.87Å; N169-I172 HydrophobicContact CB-CB 4.16Å; N169-I172 HydrophobicContact CB-CD1 3.84Å; N169-I172 HydrophobicContact CB-CG1 3.91Å; N169-I172 PolarHBondContact O-N 3.11Å; N169-I172 PolarHBondContact OD1-N 3.01Å; N169-L173 PolarHBondContact O-N 2.82Å
170L92.2Very high88.1Confident9 Ų949 Ų495%0.04727%0.269CS..Hα-helixtrans-64.7-38.2179.7-179.760.4000113Y134 V153 H156 I158 L173 K174Y134-L170 HydrophobicContact CE2-CD1 4.16Å; V153-L170 HydrophobicContact CG1-CD1 4.32Å; V153-L170 HydrophobicContact CG1-CD2 3.55Å; V153-L170 HydrophobicContact CG2-CD1 3.64Å; V153-L170 HydrophobicContact CG2-CD2 4.4Å; H156-L170 VanDerWaalsContact C-CD2 3.46Å; H156-L170 VanDerWaalsContact O-CD2 3.26Å; H156-L170 WeakPolarHBondContact O-CD2 3.09Å; I158-L170 HydrophobicContact CD1-CB 4.38Å; I158-L170 HydrophobicContact CG1-CB 4.14Å; I158-L170 HydrophobicContact CG1-CD1 4.26Å; L170-L173 HydrophobicContact CD1-CD2 4.26Å; L170-L173 PolarHBondContact O-N 2.69Å; L170-K174 HydrophobicContact CD1-CD 4.43Å; L170-K174 HydrophobicContact CD1-CG 4.29Å; L170-K174 HydrophobicContact CG-CD 4.17Å; L170-K174 HydrophobicContact CG-CG 4.45Å; L170-K174 WeakPolarHBondContact O-CB 3.32Å; L170-K174 WeakPolarHBondContact O-CG 3.39Å; L170-K174 PolarHBondContact O-N 3.39Å
171S92.1Very high89.2Confident84 Ų8452.7 Ų52.759%0.58728%0.275SS*.Hα-helixtrans-63.7-44.3179.1-57.70000110.5N169 L173 K174 E175N169-S171 WeakPolarHBondContact OD1-CA 3.42Å; N169-S171 VanDerWaalsContact OD1-CB 3.29Å; N169-S171 WeakPolarHBondContact OD1-CB 3.45Å; N169-S171 PolarHBondContact OD1-N 2.87Å; S171-L173 PolarHBondContact O-N 3.33Å; S171-K174 PolarHBondContact O-N 3.21Å; S171-E175 WeakPolarHBondContact O-CB 3.23Å; S171-E175 PolarHBondContact O-N 3.1Å
172I91.7Very high90Very high31 Ų3154.2 Ų54.216%0.15928%0.284CS..Hα-helixtrans-62.2-45.1175-59.8180000110.5F167 N169 K174 E175 V176 Y200 H209F167-I172 HydrophobicContact CD1-CG2 4.37Å; F167-I172 HydrophobicContact CE1-CG2 4.4Å; N169-I172 HydrophobicContact CB-CB 4.16Å; N169-I172 HydrophobicContact CB-CD1 3.84Å; N169-I172 HydrophobicContact CB-CG1 3.91Å; N169-I172 PolarHBondContact O-N 3.11Å; N169-I172 PolarHBondContact OD1-N 3.01Å; I172-K174 VanDerWaalsContact C-N 3.32Å; I172-K174 PolarHBondContact O-N 3.05Å; I172-E175 PolarHBondContact O-N 3.38Å; I172-V176 HydrophobicContact CG2-CG2 4.1Å; I172-V176 WeakPolarHBondContact O-CB 3.15Å; I172-V176 VanDerWaalsContact O-CG2 3.28Å; I172-V176 WeakPolarHBondContact O-CG2 3.11Å; I172-V176 PolarHBondContact O-N 2.77Å; I172-Y200 HydrophobicContact CG2-CD2 3.69Å; I172-Y200 HydrophobicContact CG2-CE2 3.68Å; I172-H209 HydrophobicContact CG2-CB 4.36Å
173L94.2Very high90.8Very high0 Ų060 Ų600%029%0.285CS..Hα-helixtrans-57.1-45.2175.8171.559.2000112I125 Y134 V136 H151 I158 F167 N169 L170 S171 Y177I125-L173 HydrophobicContact CD1-CD1 4.13Å; I125-L173 HydrophobicContact CG2-CD1 4.16Å; Y134-L173 HydrophobicContact CD1-CD1 4.17Å; Y134-L173 HydrophobicContact CD1-CD2 4.05Å; Y134-L173 HydrophobicContact CD1-CG 4.04Å; Y134-L173 HydrophobicContact CD2-CD2 3.89Å; Y134-L173 HydrophobicContact CE1-CG 4.31Å; Y134-L173 HydrophobicContact CE2-CD2 4.44Å; Y134-L173 HydrophobicContact CG-CD1 4.49Å; Y134-L173 HydrophobicContact CG-CD2 3.69Å; Y134-L173 HydrophobicContact CG-CG 4.2Å; V136-L173 HydrophobicContact CG2-CD1 4.32Å; H151-L173 HydrophobicContact CB-CD2 4.21Å; I158-L173 HydrophobicContact CD1-CD2 3.95Å; F167-L173 HydrophobicContact CB-CB 3.98Å; F167-L173 HydrophobicContact CB-CD1 4.43Å; F167-L173 HydrophobicContact CB-CD2 4.44Å; F167-L173 HydrophobicContact CD1-CB 3.83Å; F167-L173 HydrophobicContact CD1-CD1 4.19Å; F167-L173 HydrophobicContact CD2-CD1 3.67Å; F167-L173 HydrophobicContact CE1-CB 4.47Å; F167-L173 HydrophobicContact CE1-CD1 4.35Å; F167-L173 HydrophobicContact CE2-CD1 3.83Å; F167-L173 HydrophobicContact CG-CB 3.9Å; F167-L173 HydrophobicContact CG-CD1 3.85Å; F167-L173 HydrophobicContact CG-CG 4.35Å; F167-L173 HydrophobicContact CZ-CD1 4.18Å; N169-L173 PolarHBondContact O-N 2.82Å; L170-L173 HydrophobicContact CD1-CD2 4.26Å; L170-L173 PolarHBondContact O-N 2.69Å; S171-L173 PolarHBondContact O-N 3.33Å; L173-Y177 WeakPolarHBondContact O-CB 3.37Å; L173-Y177 PolarHBondContact O-N 3.49Å
174K93.9Very high91.2Very high77 Ų7762 Ų6234%0.33529%0.294SS..Hα-helixtrans-63.7-45178.3-78.5175.9175.8-178.60111.9Y134 L170 S171 I172 Y177 Q178Y134-K174 WeakPolarHBondContact OH-CG 2.91Å; L170-K174 HydrophobicContact CD1-CD 4.43Å; L170-K174 HydrophobicContact CD1-CG 4.29Å; L170-K174 HydrophobicContact CG-CD 4.17Å; L170-K174 HydrophobicContact CG-CG 4.45Å; L170-K174 WeakPolarHBondContact O-CB 3.32Å; L170-K174 WeakPolarHBondContact O-CG 3.39Å; L170-K174 PolarHBondContact O-N 3.39Å; S171-K174 PolarHBondContact O-N 3.21Å; I172-K174 VanDerWaalsContact C-N 3.32Å; I172-K174 PolarHBondContact O-N 3.05Å; K174-Y177 PolarHBondContact O-N 3.22Å; K174-Q178 VanDerWaalsContact O-CG 3.31Å; K174-Q178 WeakPolarHBondContact O-CG 3.46Å; K174-Q178 PolarHBondContact O-N 3.5Å
175E92.9Very high91.1Very high39 Ų3963.2 Ų63.218%0.18230%0.3CS..Hα-helixtrans-63.2-49.4179-174.7-177.1173.900111.2S171 I172 Y177 Q178 K179 H209 E210S171-E175 WeakPolarHBondContact O-CB 3.23Å; S171-E175 PolarHBondContact O-N 3.1Å; I172-E175 PolarHBondContact O-N 3.38Å; E175-Y177 VanDerWaalsContact C-N 3.34Å; E175-Y177 PolarHBondContact O-N 3.27Å; E175-Q178 PolarHBondContact O-N 3.37Å; E175-Q178 VanDerWaalsContact O-N 3.15Å; E175-K179 HydrophobicContact CG-CD 3.87Å; E175-K179 HydrophobicContact CG-CG 4.45Å; E175-K179 WeakPolarHBondContact O-CB 3.44Å; E175-K179 PolarHBondContact O-N 3.44Å; E175-K179 WeakPolarHBondContact OE1-CE 3.28Å; E175-K179 IonicContact OE1-NZ 3.92Å; E175-K179 PolarHBondContact OE1-NZ 3.44Å; E175-H209 HydrophobicContact CG-CB 4.41Å; E175-H209 WeakPolarHBondContact OE1-CA 3.37Å; E175-H209 WeakPolarHBondContact OE2-CB 3.3Å; E175-E210 PolarHBondContact OE1-N 3.47Å
176V93.4Very high90.8Very high0 Ų064.1 Ų64.10%031%0.309CS..Hα-helixtrans-60-45.5176.5172.60000110.2I125 F167 I172 Q178 K179 W180 L188 Y200 M208I125-V176 HydrophobicContact CD1-CG1 4.14Å; F167-V176 HydrophobicContact CE1-CB 4.1Å; F167-V176 HydrophobicContact CE1-CG1 4.27Å; F167-V176 HydrophobicContact CE1-CG2 4.06Å; F167-V176 HydrophobicContact CZ-CB 4.3Å; F167-V176 HydrophobicContact CZ-CG1 4.01Å; I172-V176 HydrophobicContact CG2-CG2 4.1Å; I172-V176 WeakPolarHBondContact O-CB 3.15Å; I172-V176 VanDerWaalsContact O-CG2 3.28Å; I172-V176 WeakPolarHBondContact O-CG2 3.11Å; I172-V176 PolarHBondContact O-N 2.77Å; V176-Q178 VanDerWaalsContact C-N 3.25Å; V176-Q178 PolarHBondContact O-N 3.22Å; V176-K179 PolarHBondContact O-N 3.02Å; V176-W180 HydrophobicContact CG1-CB 4.12Å; V176-W180 WeakPolarHBondContact O-CB 3.34Å; V176-W180 PolarHBondContact O-N 2.97Å; V176-L188 HydrophobicContact CG1-CD1 3.43Å; V176-L188 VanDerWaalsContact CG1-CD1 3.43Å; V176-Y200 HydrophobicContact CG2-CD2 4.49Å; V176-M208 HydrophobicContact CG1-CB 4.28Å; V176-M208 HydrophobicContact CG2-CB 3.86Å
177Y94.6Very high90.5Very high91 Ų9166 Ų6636%0.35732%0.322SS..Hα-helixtrans-58.4-35.4177.3174.5-106.9000113.2I125 K127 Y134 L173 K174 E175I125-Y177 HydrophobicContact CB-CD2 3.92Å; I125-Y177 HydrophobicContact CG2-CD2 3.53Å; I125-Y177 HydrophobicContact CG2-CE2 4.27Å; I125-Y177 HydrophobicContact CG2-CG 4.24Å; I125-Y177 WeakPolarHBondContact O-CE2 3.22Å; K127-Y177 HydrophobicContact CB-CE1 4.26Å; K127-Y177 HydrophobicContact CB-CE2 4.46Å; Y134-Y177 HydrophobicContact CE1-CD1 4.31Å; Y134-Y177 HydrophobicContact CE1-CG 4.26Å; L173-Y177 WeakPolarHBondContact O-CB 3.37Å; L173-Y177 PolarHBondContact O-N 3.49Å; K174-Y177 PolarHBondContact O-N 3.22Å; E175-Y177 VanDerWaalsContact C-N 3.34Å; E175-Y177 PolarHBondContact O-N 3.27Å
178Q92.1Very high90.4Very high159 Ų15966 Ų6674%0.74332%0.322SS*.Hα-helixtrans-79.5-39.8179.1-72.9173.3-14.200113K174 E175 V176K174-Q178 VanDerWaalsContact O-CG 3.31Å; K174-Q178 WeakPolarHBondContact O-CG 3.46Å; K174-Q178 PolarHBondContact O-N 3.5Å; E175-Q178 PolarHBondContact O-N 3.37Å; E175-Q178 VanDerWaalsContact O-N 3.15Å; V176-Q178 VanDerWaalsContact C-N 3.25Å; V176-Q178 PolarHBondContact O-N 3.22Å
179K90.1Very high90.3Very high99 Ų9963.8 Ų63.843%0.4331%0.313SS..Hα-helixtrans-85.6-37.9-173.8-70.1-176179.31750112.8E175 V176 E210E175-K179 HydrophobicContact CG-CD 3.87Å; E175-K179 HydrophobicContact CG-CG 4.45Å; E175-K179 WeakPolarHBondContact O-CB 3.44Å; E175-K179 PolarHBondContact O-N 3.44Å; E175-K179 WeakPolarHBondContact OE1-CE 3.28Å; E175-K179 IonicContact OE1-NZ 3.92Å; E175-K179 PolarHBondContact OE1-NZ 3.44Å; V176-K179 PolarHBondContact O-N 3.02Å; K179-E210 IonicContact NZ-OE1 2.83Å
180W92.3Very high90.4Very high16 Ų1660.3 Ų60.36%0.06130%0.295CS..  trans-74.6130.2-171.4178.143.4000112.2I122 I125 V176 P182 G186 L188 M208I122-W180 HydrophobicContact CB-CH2 4.49Å; I122-W180 HydrophobicContact CG2-CH2 3.78Å; I122-W180 HydrophobicContact CG2-CZ3 3.73Å; I122-W180 WeakPolarHBondContact O-CH2 3.44Å; I125-W180 HydrophobicContact CD1-CE3 3.96Å; I125-W180 HydrophobicContact CD1-CZ3 3.95Å; I125-W180 HydrophobicContact CG1-CE3 4.4Å; I125-W180 HydrophobicContact CG1-CZ3 3.95Å; V176-W180 HydrophobicContact CG1-CB 4.12Å; V176-W180 WeakPolarHBondContact O-CB 3.34Å; V176-W180 PolarHBondContact O-N 2.97Å; W180-P182 HydrophobicContact CD2-CG 3.88Å; W180-P182 HydrophobicContact CE3-CG 3.98Å; W180-P182 HydrophobicContact CH2-CB 4.23Å; W180-P182 HydrophobicContact CH2-CG 3.87Å; W180-P182 HydrophobicContact CZ2-CB 3.78Å; W180-P182 HydrophobicContact CZ2-CG 3.73Å; W180-P182 HydrophobicContact CZ3-CG 3.97Å; W180-P182 WeakPolarHBondContact O-CD 3.35Å; W180-G186 VanDerWaalsContact CZ2-O 3.28Å; W180-G186 WeakPolarHBondContact CZ2-O 3.46Å; W180-G186 PolarHBondContact NE1-O 3.34Å; W180-L188 HydrophobicContact CB-CD1 4.4Å; W180-L188 HydrophobicContact CD2-CD1 3.57Å; W180-L188 HydrophobicContact CD2-CD2 4.22Å; W180-L188 HydrophobicContact CD2-CG 3.78Å; W180-L188 VanDerWaalsContact CE2-CG 3.49Å; W180-L188 HydrophobicContact CE3-CD1 3.82Å; W180-L188 HydrophobicContact CE3-CG 4.32Å; W180-L188 HydrophobicContact CG-CD1 3.84Å; W180-L188 HydrophobicContact CG-CD2 4.09Å; W180-L188 HydrophobicContact CG-CG 4.13Å; W180-L188 HydrophobicContact CH2-CG 4.29Å; W180-L188 HydrophobicContact CZ2-CD1 4.33Å; W180-L188 HydrophobicContact CZ2-CD2 4.46Å; W180-L188 HydrophobicContact CZ2-CG 3.78Å; W180-L188 HydrophobicContact CZ3-CD1 4.29Å; W180-M208 HydrophobicContact CB-SD 4.2Å; W180-M208 HydrophobicContact CG-SD 4.42Å
181K90.7Very high90.1Very high135 Ų13560 Ų6059%0.58729%0.293SS*.  trans-115.794.8175.3-64.3179.5-176179.10108.4R183 V184 D185K181-R183 PolarHBondContact O-N 3.32Å; K181-V184 HydrophobicContact CB-CB 4.01Å; K181-V184 HydrophobicContact CB-CG2 4.15Å; K181-V184 PolarHBondContact O-N 2.93Å; K181-D185 PolarHBondContact N-OD2 3.35Å; K181-D185 PolarHBondContact O-N 3Å
182P88.6Confident89.9Confident59 Ų5956.9 Ų56.938%0.38327%0.269SS..Hα-helixtrans-54.3-31.8-172.8-2731.6000115.1W180 V184 G186W180-P182 HydrophobicContact CD2-CG 3.88Å; W180-P182 HydrophobicContact CE3-CG 3.98Å; W180-P182 HydrophobicContact CH2-CB 4.23Å; W180-P182 HydrophobicContact CH2-CG 3.87Å; W180-P182 HydrophobicContact CZ2-CB 3.78Å; W180-P182 HydrophobicContact CZ2-CG 3.73Å; W180-P182 HydrophobicContact CZ3-CG 3.97Å; W180-P182 WeakPolarHBondContact O-CD 3.35Å; P182-V184 VanDerWaalsContact C-N 3.32Å; P182-G186 VanDerWaalsContact O-CA 3.28Å; P182-G186 WeakPolarHBondContact O-CA 3.47Å; P182-G186 PolarHBondContact O-N 2.86Å; P182-G186 VanDerWaalsContact O-N 3.16Å
183R86.1Confident89.4Confident257 Ų25755.5 Ų55.597%0.9726%0.262SS*.Hα-helixtrans-73.1-22.3177.1-67.1-174.6179.5173.7-0.2114.1K181K181-R183 PolarHBondContact O-N 3.32Å
184V85.9Confident88.5Confident114 Ų11456 Ų5669%0.69127%0.265SS*.Hα-helixtrans-104-49.7-176.7179.30000110.4K181 P182K181-V184 HydrophobicContact CB-CB 4.01Å; K181-V184 HydrophobicContact CB-CG2 4.15Å; K181-V184 PolarHBondContact O-N 2.93Å; P182-V184 VanDerWaalsContact C-N 3.32Å
185D84.4Confident87.6Confident28 Ų2858.2 Ų58.215%0.1527%0.271CS..Hα-helixtrans-86.3-14.8-175-56.3-60.3000112.8K181 K206 M208K181-D185 PolarHBondContact N-OD2 3.35Å; K181-D185 PolarHBondContact O-N 3Å; D185-K206 IonicContact OD1-NZ 3.68Å; D185-M208 HydrophobicContact CB-CE 4.26Å
186G86.7Confident86.7Confident20 Ų2059.7 Ų59.721%0.20628%0.275CS..  trans72.2-166.5-173.100000113.1W180 P182W180-G186 VanDerWaalsContact CZ2-O 3.28Å; W180-G186 WeakPolarHBondContact CZ2-O 3.46Å; W180-G186 PolarHBondContact NE1-O 3.34Å; P182-G186 VanDerWaalsContact O-CA 3.28Å; P182-G186 WeakPolarHBondContact O-CA 3.47Å; P182-G186 PolarHBondContact O-N 2.86Å; P182-G186 VanDerWaalsContact O-N 3.16Å
187P88.8Confident86.1Confident40 Ų4060.6 Ų60.626%0.2629%0.285SS..SBendtrans-61.6152.7175-21.633.3000113.1L121 I122 V123 L203L121-P187 HydrophobicContact CB-CB 3.96Å; L121-P187 HydrophobicContact CD1-CB 3.72Å; L121-P187 HydrophobicContact CD1-CG 4.37Å; I122-P187 CarbonylContact O-C 3.6Å; I122-P187 VanDerWaalsContact O-CA 3.3Å; I122-P187 WeakPolarHBondContact O-CA 3.35Å; V123-P187 HydrophobicContact CG1-CB 4.17Å; V123-P187 HydrophobicContact CG1-CG 4.28Å; P187-L203 HydrophobicContact CG-CD1 4.46Å
188L89.9Confident85.8Confident0 Ų057.4 Ų57.40%027%0.273CS..EExtended strand (participates in β ladder)trans-98.6140.2175-55.8-179.3000112.4L121 I122 V176 W180 T201 M208L121-L188 WeakPolarHBondContact CA-O 3.21Å; I122-L188 HydrophobicContact CB-CB 4.21Å; I122-L188 PolarHBondContact N-O 3.43Å; I122-L188 PolarHBondContact O-N 3.25Å; V176-L188 HydrophobicContact CG1-CD1 3.43Å; V176-L188 VanDerWaalsContact CG1-CD1 3.43Å; W180-L188 HydrophobicContact CB-CD1 4.4Å; W180-L188 HydrophobicContact CD2-CD1 3.57Å; W180-L188 HydrophobicContact CD2-CD2 4.22Å; W180-L188 HydrophobicContact CD2-CG 3.78Å; W180-L188 VanDerWaalsContact CE2-CG 3.49Å; W180-L188 HydrophobicContact CE3-CD1 3.82Å; W180-L188 HydrophobicContact CE3-CG 4.32Å; W180-L188 HydrophobicContact CG-CD1 3.84Å; W180-L188 HydrophobicContact CG-CD2 4.09Å; W180-L188 HydrophobicContact CG-CG 4.13Å; W180-L188 HydrophobicContact CH2-CG 4.29Å; W180-L188 HydrophobicContact CZ2-CD1 4.33Å; W180-L188 HydrophobicContact CZ2-CD2 4.46Å; W180-L188 HydrophobicContact CZ2-CG 3.78Å; W180-L188 HydrophobicContact CZ3-CD1 4.29Å; L188-T201 CarbonylContact C-O 3.58Å; L188-T201 WeakPolarHBondContact CA-O 2.97Å; L188-M208 HydrophobicContact CD1-CG 4.07Å; L188-M208 HydrophobicContact CD2-CE 4.37Å; L188-M208 HydrophobicContact CD2-CG 3.49Å; L188-M208 VanDerWaalsContact CD2-CG 3.49Å; L188-M208 HydrophobicContact CD2-SD 4.1Å; L188-M208 HydrophobicContact CG-CG 4.42Å
189L87.7Confident85.5Confident4 Ų450.1 Ų50.12%0.02124%0.239CC..EExtended strand (participates in β ladder)trans-86139.8167.9-60.8166.9000109.6P43 V117 L121 N191 Y200 T201 L203 M220P43-L189 HydrophobicContact CG-CD1 3.79Å; P43-L189 HydrophobicContact CG-CD2 3.89Å; P43-L189 HydrophobicContact CG-CG 4.48Å; V117-L189 HydrophobicContact CG1-CB 4.05Å; V117-L189 HydrophobicContact CG1-CD2 3.93Å; V117-L189 HydrophobicContact CG1-CG 4.45Å; L121-L189 HydrophobicContact CD2-CD2 3.4Å; L121-L189 HydrophobicContact CD2-CG 4.41Å; L189-N191 PolarHBondContact O-ND2 2.77Å; L189-Y200 WeakPolarHBondContact O-CA 2.79Å; L189-T201 PolarHBondContact N-O 2.75Å; L189-T201 PolarHBondContact O-N 2.92Å; L189-L203 HydrophobicContact CD2-CD2 4.08Å; L189-L203 HydrophobicContact CG-CD2 4.15Å; L189-M220 HydrophobicContact CD2-CE 3.95Å
190I89.9Confident85.5Confident4 Ų445.6 Ų45.62%0.02122%0.219CC..EExtended strand (participates in β ladder)trans-100.2114.3168.6-46.4174000106.4N118 I122 L166 I198 Y200N118-I190 HydrophobicContact CB-CB 3.83Å; N118-I190 HydrophobicContact CB-CG2 4.43Å; N118-I190 WeakPolarHBondContact CB-O 3.44Å; N118-I190 PolarHBondContact N-O 3.13Å; I122-I190 HydrophobicContact CD1-CD1 3.99Å; I122-I190 HydrophobicContact CD1-CG1 3.86Å; I122-I190 HydrophobicContact CG1-CD1 4.19Å; I122-I190 HydrophobicContact CG1-CG1 4.33Å; L166-I190 HydrophobicContact CB-CD1 4.13Å; L166-I190 HydrophobicContact CD2-CD1 3.76Å; L166-I190 HydrophobicContact CG-CD1 4.39Å; I190-I198 HydrophobicContact CG2-CG2 3.94Å; I190-Y200 HydrophobicContact CB-CE1 4.33Å; I190-Y200 HydrophobicContact CD1-CE1 4.49Å; I190-Y200 HydrophobicContact CG1-CD1 4.14Å; I190-Y200 HydrophobicContact CG1-CE1 3.9Å; I190-Y200 HydrophobicContact CG2-CD1 4.48Å; I190-Y200 HydrophobicContact CG2-CE1 3.92Å
191N86.9Confident85.2Confident2 Ų244.8 Ų44.81%0.01122%0.217CC..EExtended strand (participates in β ladder)trans-110.3148.2-176.5-52.2-95.5000109.2T115 I116 L189 I198 F199 T201 K218T115-N191 HydrophobicContact CG2-CB 3.79Å; I116-N191 CarbonylContact O-C 3.49Å; L189-N191 PolarHBondContact O-ND2 2.77Å; N191-I198 CarbonylContact O-C 3.41Å; N191-I198 VanDerWaalsContact O-CA 3.32Å; N191-I198 WeakPolarHBondContact O-CA 3.37Å; N191-F199 HydrophobicContact CB-CD1 3.99Å; N191-F199 HydrophobicContact CB-CD2 3.76Å; N191-F199 HydrophobicContact CB-CE1 3.66Å; N191-F199 HydrophobicContact CB-CE2 3.42Å; N191-F199 VanDerWaalsContact CB-CE2 3.42Å; N191-F199 HydrophobicContact CB-CG 4.04Å; N191-F199 HydrophobicContact CB-CZ 3.37Å; N191-F199 WeakPolarHBondContact CB-O 3.19Å; N191-F199 PolarHBondContact N-O 2.95Å; N191-F199 PolarHBondContact ND2-O 3.43Å; N191-F199 PolarHBondContact O-N 3.07Å; N191-T201 PolarHBondContact ND2-OG1 3.3Å; N191-K218 PolarHBondContact OD1-NZ 3.08Å
192Y86.6Confident84.8Confident20 Ų2038.4 Ų38.48%0.07819%0.189CC..EExtended strand (participates in β ladder)trans-128.1126.6172.3-175.7-81.9000109.6M6 I10 F70 T115 I116 T194 G197 I198M6-Y192 VanDerWaalsContact CB-OH 3.27Å; M6-Y192 WeakPolarHBondContact CB-OH 3.39Å; M6-Y192 HydrophobicContact CE-CE1 4.04Å; M6-Y192 HydrophobicContact CE-CE2 3.8Å; M6-Y192 VanDerWaalsContact CE-CZ 3.46Å; M6-Y192 WeakPolarHBondContact CE-OH 3.36Å; M6-Y192 VanDerWaalsContact CG-OH 3.27Å; M6-Y192 WeakPolarHBondContact CG-OH 3.29Å; I10-Y192 HydrophobicContact CD1-CD1 3.61Å; I10-Y192 HydrophobicContact CD1-CE1 3.38Å; F70-Y192 AromaticContact CE2-CD1 3.65Å; F70-Y192 HydrophobicContact CE2-CD1 3.65Å; F70-Y192 AromaticContact CE2-CD2 3.71Å; F70-Y192 HydrophobicContact CE2-CD2 3.71Å; F70-Y192 HydrophobicContact CE2-CE1 4Å; F70-Y192 HydrophobicContact CE2-CE2 4.04Å; F70-Y192 AromaticContact CE2-CG 3.53Å; F70-Y192 HydrophobicContact CE2-CG 3.53Å; F70-Y192 AromaticContact CZ-CD1 3.68Å; F70-Y192 HydrophobicContact CZ-CD1 3.68Å; F70-Y192 HydrophobicContact CZ-CD2 4.19Å; F70-Y192 HydrophobicContact CZ-CE1 4.43Å; F70-Y192 AromaticContact CZ-CG 3.57Å; F70-Y192 HydrophobicContact CZ-CG 3.57Å; T115-Y192 CarbonylContact C-O 3.59Å; T115-Y192 VanDerWaalsContact CA-O 3.24Å; T115-Y192 WeakPolarHBondContact CA-O 3.17Å; I116-Y192 PolarHBondContact N-O 3.34Å; I116-Y192 PolarHBondContact O-N 2.96Å; Y192-T194 HydrophobicContact CE1-CG2 4.29Å; Y192-G197 WeakPolarHBondContact CA-O 3.22Å; Y192-I198 HydrophobicContact CD2-CG1 3.71Å; Y192-I198 HydrophobicContact CE2-CG1 4.24Å
193S81.1Confident84.3Confident2 Ų238.3 Ų38.31%0.01419%0.185CC..EExtended strand (participates in β ladder)trans-123.7151.1163.876.70000110.1R195 R196 G197S193-R195 PolarHBondContact O-N 2.64Å; S193-R196 PolarHBondContact O-N 3.45Å; S193-R196 WeakPolarHBondContact OG-CB 2.96Å; S193-R196 PolarHBondContact OG-N 3.04Å; S193-G197 PolarHBondContact N-O 3.48Å; S193-G197 WeakPolarHBondContact O-CA 2.89Å; S193-G197 PolarHBondContact O-N 2.75Å
194T76.1Confident83.5Confident10 Ų1029.4 Ų29.46%0.06116%0.159CC..THydrogen-bonded Turntrans-64.2-30.2176.649.60000111.9K7 I10 L113 Y192K7-T194 HydrophobicContact CG-CG2 3.73Å; I10-T194 HydrophobicContact CD1-CG2 3.75Å; L113-T194 HydrophobicContact CB-CG2 4.27Å; L113-T194 HydrophobicContact CD1-CG2 3.77Å; Y192-T194 HydrophobicContact CE1-CG2 4.29Å
195R73.9Confident82.9Confident123 Ų12324.1 Ų24.146%0.46413%0.128SC..THydrogen-bonded Turntrans-76.9-36.5179.6-59.3-178.2-172.9-176.93.7113.8D111 D112 S193D111-R195 PolarHBondContact O-NE 3.26Å; D111-R195 PolarHBondContact O-NH2 3.4Å; D112-R195 IonicContact OD1-NH2 2.83Å; S193-R195 PolarHBondContact O-N 2.64Å
196R74.4Confident82.6Confident70 Ų7028.2 Ų28.226%0.26414%0.144SC..THydrogen-bonded Turntrans-113.8-11.7-172.7-63.7-168.2154.2132.318.3114.4S193 F199 C212 Q213 D214S193-R196 PolarHBondContact O-N 3.45Å; S193-R196 WeakPolarHBondContact OG-CB 2.96Å; S193-R196 PolarHBondContact OG-N 3.04Å; R196-F199 HydrophobicContact CB-CD1 4.34Å; R196-C212 PolarHBondContact NH1-O 3.02Å; R196-Q213 PolarHBondContact NH1-O 2.82Å; R196-Q213 VanDerWaalsContact NH1-O 3.14Å; R196-D214 VanDerWaalsContact CD-OD1 3.23Å; R196-D214 WeakPolarHBondContact CD-OD1 3.49Å; R196-D214 VanDerWaalsContact CG-OD1 3.29Å; R196-D214 WeakPolarHBondContact CG-OD1 3.08Å; R196-D214 IonicContact CZ-OD1 2.75Å; R196-D214 IonicContact CZ-OD2 2.75Å; R196-D214 IonicContact NE-OD1 2.63Å; R196-D214 PolarHBondContact NE-OD1 2.76Å; R196-D214 IonicContact NE-OD2 2.99Å; R196-D214 IonicContact NH1-OD1 3.67Å; R196-D214 PolarHBondContact NH1-OD1 3.24Å; R196-D214 IonicContact NH1-OD2 3.03Å; R196-D214 PolarHBondContact NH1-OD2 3.47Å; R196-D214 VanDerWaalsContact NH1-OD2 3.17Å; R196-D214 IonicContact NH2-OD1 3.73Å; R196-D214 PolarHBondContact NH2-OD1 2.7Å; R196-D214 VanDerWaalsContact NH2-OD1 3.11Å; R196-D214 IonicContact NH2-OD2 3.45Å; R196-D214 PolarHBondContact NH2-OD2 3.41Å
197G81.8Confident82.4Confident20 Ų2029.7 Ų29.721%0.20615%0.15CC..EExtended strand (participates in β ladder)trans68.1-137.6-16800000111.2Y192 S193Y192-G197 WeakPolarHBondContact CA-O 3.22Å; S193-G197 PolarHBondContact N-O 3.48Å; S193-G197 WeakPolarHBondContact O-CA 2.89Å; S193-G197 PolarHBondContact O-N 2.75Å
198I86.9Confident82.1Confident23 Ų2328.1 Ų28.112%0.11814%0.139CC..EExtended strand (participates in β ladder)trans-89.6128.9-172.8-60.7155.5000110.2L61 I190 N191 Y192 Y200L61-I198 HydrophobicContact CD1-CD1 3.75Å; L61-I198 HydrophobicContact CD1-CG2 4.17Å; L61-I198 HydrophobicContact CD2-CD1 3.64Å; L61-I198 HydrophobicContact CD2-CG1 4.3Å; L61-I198 HydrophobicContact CG-CD1 4.23Å; I190-I198 HydrophobicContact CG2-CG2 3.94Å; N191-I198 CarbonylContact O-C 3.41Å; N191-I198 VanDerWaalsContact O-CA 3.32Å; N191-I198 WeakPolarHBondContact O-CA 3.37Å; Y192-I198 HydrophobicContact CD2-CG1 3.71Å; Y192-I198 HydrophobicContact CE2-CG1 4.24Å; I198-Y200 HydrophobicContact CG2-CE2 4Å
199F87.2Confident81.5Confident6 Ų628.6 Ų28.63%0.02614%0.141CC..EExtended strand (participates in β ladder)trans-143.1157.9176.564.1-84.6000112.9T115 N191 R196 T201 H209T115-F199 HydrophobicContact CG2-CE1 4.28Å; T115-F199 HydrophobicContact CG2-CZ 3.82Å; N191-F199 HydrophobicContact CB-CD1 3.99Å; N191-F199 HydrophobicContact CB-CD2 3.76Å; N191-F199 HydrophobicContact CB-CE1 3.66Å; N191-F199 HydrophobicContact CB-CE2 3.42Å; N191-F199 VanDerWaalsContact CB-CE2 3.42Å; N191-F199 HydrophobicContact CB-CG 4.04Å; N191-F199 HydrophobicContact CB-CZ 3.37Å; N191-F199 WeakPolarHBondContact CB-O 3.19Å; N191-F199 PolarHBondContact N-O 2.95Å; N191-F199 PolarHBondContact ND2-O 3.43Å; N191-F199 PolarHBondContact O-N 3.07Å; R196-F199 HydrophobicContact CB-CD1 4.34Å; F199-T201 HydrophobicContact CD2-CG2 3.89Å; F199-T201 HydrophobicContact CE2-CG2 3.98Å; F199-H209 WeakPolarHBondContact CA-NE2 3.34Å; F199-H209 VanDerWaalsContact CB-CE1 3.47Å; F199-H209 WeakPolarHBondContact CB-CE1 2.9Å; F199-H209 WeakPolarHBondContact CB-NE2 2.93Å
200Y89.7Confident80.5Confident4 Ų436.1 Ų36.12%0.01618%0.176CC..EExtended strand (participates in β ladder)trans-119.1129.3-170.6-56.2-94000111I122 L166 F167 I172 V176 L189 I190 I198 M208 H209I122-Y200 HydrophobicContact CD1-CD1 3.83Å; I122-Y200 HydrophobicContact CD1-CE1 3.79Å; L166-Y200 WeakPolarHBondContact O-CE1 3.48Å; L166-Y200 PolarHBondContact O-OH 2.87Å; F167-Y200 WeakPolarHBondContact CA-OH 3.46Å; F167-Y200 HydrophobicContact CD1-CD2 4.35Å; F167-Y200 AromaticContact CD1-CE1 3.86Å; F167-Y200 HydrophobicContact CD1-CE1 3.86Å; F167-Y200 AromaticContact CD1-CE2 3.66Å; F167-Y200 HydrophobicContact CD1-CE2 3.66Å; F167-Y200 AromaticContact CD1-CZ 3.37Å; F167-Y200 WeakPolarHBondContact CD1-OH 3.31Å; F167-Y200 HydrophobicContact CD2-CE1 4.49Å; F167-Y200 AromaticContact CE1-CD1 3.83Å; F167-Y200 HydrophobicContact CE1-CD1 3.83Å; F167-Y200 AromaticContact CE1-CD2 3.88Å; F167-Y200 HydrophobicContact CE1-CD2 3.88Å; F167-Y200 AromaticContact CE1-CE1 3.55Å; F167-Y200 HydrophobicContact CE1-CE1 3.55Å; F167-Y200 AromaticContact CE1-CE2 3.64Å; F167-Y200 HydrophobicContact CE1-CE2 3.64Å; F167-Y200 AromaticContact CE1-CG 3.99Å; F167-Y200 HydrophobicContact CE1-CG 3.99Å; F167-Y200 AromaticContact CE1-CZ 3.46Å; F167-Y200 VanDerWaalsContact CE1-CZ 3.46Å; F167-Y200 HydrophobicContact CE2-CE1 4.23Å; F167-Y200 HydrophobicContact CG-CE1 4.32Å; F167-Y200 AromaticContact CG-CZ 3.98Å; F167-Y200 AromaticContact CZ-CD1 3.93Å; F167-Y200 HydrophobicContact CZ-CD1 3.93Å; F167-Y200 AromaticContact CZ-CE1 3.75Å; F167-Y200 HydrophobicContact CZ-CE1 3.75Å; F167-Y200 HydrophobicContact CZ-CG 4.42Å; I172-Y200 HydrophobicContact CG2-CD2 3.69Å; I172-Y200 HydrophobicContact CG2-CE2 3.68Å; V176-Y200 HydrophobicContact CG2-CD2 4.49Å; L189-Y200 WeakPolarHBondContact O-CA 2.79Å; I190-Y200 HydrophobicContact CB-CE1 4.33Å; I190-Y200 HydrophobicContact CD1-CE1 4.49Å; I190-Y200 HydrophobicContact CG1-CD1 4.14Å; I190-Y200 HydrophobicContact CG1-CE1 3.9Å; I190-Y200 HydrophobicContact CG2-CD1 4.48Å; I190-Y200 HydrophobicContact CG2-CE1 3.92Å; I198-Y200 HydrophobicContact CG2-CE2 4Å; Y200-M208 PolarHBondContact O-N 3.37Å; Y200-H209 AromaticContact CD2-CD2 3.92Å; Y200-H209 AromaticContact CD2-NE2 3.95Å; Y200-H209 PolarHBondContact N-NE2 2Å
201T85.3Confident79Confident0 Ų039.5 Ų39.50%019%0.194CC..EExtended strand (participates in β ladder)trans-130.8153.6179.4640000110.8L188 L189 N191 F199 G205 K206L188-T201 CarbonylContact C-O 3.58Å; L188-T201 WeakPolarHBondContact CA-O 2.97Å; L189-T201 PolarHBondContact N-O 2.75Å; L189-T201 PolarHBondContact O-N 2.92Å; N191-T201 PolarHBondContact ND2-OG1 3.3Å; F199-T201 HydrophobicContact CD2-CG2 3.89Å; F199-T201 HydrophobicContact CE2-CG2 3.98Å; T201-G205 WeakPolarHBondContact CB-O 2.95Å; T201-G205 WeakPolarHBondContact CG2-O 2.96Å; T201-K206 CarbonylContact C-O 3.4Å; T201-K206 WeakPolarHBondContact CA-O 3.18Å
202S83.6Confident77.4Confident0 Ų043.6 Ų43.60%022%0.222CC..EExtended strand (participates in β ladder)trans-60.4172.3161.960.40000110.8T204 G205 K206S202-T204 PolarHBondContact O-N 3.35Å; S202-T204 PolarHBondContact OG-N 3.06Å; S202-T204 PolarHBondContact OG-OG1 2.94Å; S202-G205 PolarHBondContact O-N 3.09Å; S202-G205 PolarHBondContact OG-N 2.87Å; S202-K206 PolarHBondContact N-O 2.86Å; S202-K206 WeakPolarHBondContact OG-CB 3.14Å; S202-K206 PolarHBondContact OG-N 2.9Å; S202-K206 VanDerWaalsContact OG-N 3.1Å
203L77.4Confident75.8Confident57 Ų5745.2 Ų45.230%0.29823%0.23SC..THydrogen-bonded Turntrans-57.5-30.2167.2-64-176.6000112.6L121 P187 L189 G205L121-L203 HydrophobicContact CD1-CD2 3.87Å; P187-L203 HydrophobicContact CG-CD1 4.46Å; L189-L203 HydrophobicContact CD2-CD2 4.08Å; L189-L203 HydrophobicContact CG-CD2 4.15Å; L203-G205 PolarHBondContact O-N 3.04Å
204T70.2Confident74.4Confident71 Ų7148.1 Ų48.144%0.43625%0.245SC..THydrogen-bonded Turntrans-80.65.4173.657.90000112.6Y38 S202 K206Y38-T204 WeakPolarHBondContact CD1-O 3.2Å; Y38-T204 WeakPolarHBondContact CE1-O 3.21Å; S202-T204 PolarHBondContact O-N 3.35Å; S202-T204 PolarHBondContact OG-N 3.06Å; S202-T204 PolarHBondContact OG-OG1 2.94Å; T204-K206 PolarHBondContact O-N 3.22Å
205G73.1Confident73.6Confident3 Ų349 Ų493%0.03125%0.25CC..  trans79.7-7.7177.800000115.4T201 S202 L203 Q213T201-G205 WeakPolarHBondContact CB-O 2.95Å; T201-G205 WeakPolarHBondContact CG2-O 2.96Å; S202-G205 PolarHBondContact O-N 3.09Å; S202-G205 PolarHBondContact OG-N 2.87Å; L203-G205 PolarHBondContact O-N 3.04Å; G205-Q213 VanDerWaalsContact CA-NE2 3.26Å; G205-Q213 PolarHBondContact O-NE2 3.07Å
206K78Confident72.8Confident114 Ų11446.5 Ų46.550%0.49625%0.246SC..  trans-56.4124175.2-178.2-175.7172-169.10109.7D185 T201 S202 T204 M208D185-K206 IonicContact OD1-NZ 3.68Å; T201-K206 CarbonylContact C-O 3.4Å; T201-K206 WeakPolarHBondContact CA-O 3.18Å; S202-K206 PolarHBondContact N-O 2.86Å; S202-K206 WeakPolarHBondContact OG-CB 3.14Å; S202-K206 PolarHBondContact OG-N 2.9Å; S202-K206 VanDerWaalsContact OG-N 3.1Å; T204-K206 PolarHBondContact O-N 3.22Å; K206-M208 HydrophobicContact CB-CE 4.15Å; K206-M208 HydrophobicContact CD-CE 4.1Å; K206-M208 HydrophobicContact CG-CE 4.08Å; K206-M208 VanDerWaalsContact O-CE 3.31Å; K206-M208 WeakPolarHBondContact O-CE 3.49Å
207P81.1Confident72Confident50 Ų5044 Ų4433%0.32524%0.236SC..BIsolated β-bridgetrans-68.8143.3178.929.3-34.6000110.7L211P207-L211 WeakPolarHBondContact CB-O 3.17Å
208M83.7Confident71.3Confident7 Ų743.4 Ų43.43%0.03423%0.228CC..SBendtrans-99.7-1.1178.7-64.8-64.3133.600113.4V176 W180 D185 L188 Y200 K206V176-M208 HydrophobicContact CG1-CB 4.28Å; V176-M208 HydrophobicContact CG2-CB 3.86Å; W180-M208 HydrophobicContact CB-SD 4.2Å; W180-M208 HydrophobicContact CG-SD 4.42Å; D185-M208 HydrophobicContact CB-CE 4.26Å; L188-M208 HydrophobicContact CD1-CG 4.07Å; L188-M208 HydrophobicContact CD2-CE 4.37Å; L188-M208 HydrophobicContact CD2-CG 3.49Å; L188-M208 VanDerWaalsContact CD2-CG 3.49Å; L188-M208 HydrophobicContact CD2-SD 4.1Å; L188-M208 HydrophobicContact CG-CG 4.42Å; Y200-M208 PolarHBondContact O-N 3.37Å; K206-M208 HydrophobicContact CB-CE 4.15Å; K206-M208 HydrophobicContact CD-CE 4.1Å; K206-M208 HydrophobicContact CG-CE 4.08Å; K206-M208 VanDerWaalsContact O-CE 3.31Å; K206-M208 WeakPolarHBondContact O-CE 3.49Å
209H77.9Confident70.4Confident10 Ų1042.3 Ų42.35%0.04622%0.222CC..SBendtrans-140.4170.417161.889.4000109.7I172 E175 F199 Y200 L211I172-H209 HydrophobicContact CG2-CB 4.36Å; E175-H209 HydrophobicContact CG-CB 4.41Å; E175-H209 WeakPolarHBondContact OE1-CA 3.37Å; E175-H209 WeakPolarHBondContact OE2-CB 3.3Å; F199-H209 WeakPolarHBondContact CA-NE2 3.34Å; F199-H209 VanDerWaalsContact CB-CE1 3.47Å; F199-H209 WeakPolarHBondContact CB-CE1 2.9Å; F199-H209 WeakPolarHBondContact CB-NE2 2.93Å; Y200-H209 AromaticContact CD2-CD2 3.92Å; Y200-H209 AromaticContact CD2-NE2 3.95Å; Y200-H209 PolarHBondContact N-NE2 2Å; H209-L211 PolarHBondContact O-N 2.99Å
210E66.1Low69.7Low162 Ų16242.1 Ų42.176%0.75722%0.222SC*.SBendtrans-67.632.4-169.4-74.7177.2-173.800117.3E175 K179E175-E210 PolarHBondContact OE1-N 3.47Å; K179-E210 IonicContact NZ-OE1 2.83Å
211L58.1Low68.8Low75 Ų7542 Ų4239%0.39322%0.221SC..  trans-117.1131.3174.6-64.3172.9000110.8P207 H209P207-L211 WeakPolarHBondContact CB-O 3.17Å; H209-L211 PolarHBondContact O-N 2.99Å
212C52.3Low67.9Low88 Ų8842 Ų4260%0.59522%0.222SC*.  trans-62.1177.3177.9-760000112.3R196R196-C212 PolarHBondContact NH1-O 3.02Å
213Q53.1Low66.8Low55 Ų5543 Ų4326%0.25723%0.228SC..  trans-91.2141.3162.6-66.8-173-29.800109.8Y38 R196 G205Y38-Q213 PolarHBondContact OH-OE1 2.8Å; R196-Q213 PolarHBondContact NH1-O 2.82Å; R196-Q213 VanDerWaalsContact NH1-O 3.14Å; G205-Q213 VanDerWaalsContact CA-NE2 3.26Å; G205-Q213 PolarHBondContact O-NE2 3.07Å
214D53.5Low66.2Low62 Ų6240.5 Ų40.533%0.33222%0.215SC..  trans-109.1-38.3-178.8-93.7146.4000112.5R196R196-D214 VanDerWaalsContact CD-OD1 3.23Å; R196-D214 WeakPolarHBondContact CD-OD1 3.49Å; R196-D214 VanDerWaalsContact CG-OD1 3.29Å; R196-D214 WeakPolarHBondContact CG-OD1 3.08Å; R196-D214 IonicContact CZ-OD1 2.75Å; R196-D214 IonicContact CZ-OD2 2.75Å; R196-D214 IonicContact NE-OD1 2.63Å; R196-D214 PolarHBondContact NE-OD1 2.76Å; R196-D214 IonicContact NE-OD2 2.99Å; R196-D214 IonicContact NH1-OD1 3.67Å; R196-D214 PolarHBondContact NH1-OD1 3.24Å; R196-D214 IonicContact NH1-OD2 3.03Å; R196-D214 PolarHBondContact NH1-OD2 3.47Å; R196-D214 VanDerWaalsContact NH1-OD2 3.17Å; R196-D214 IonicContact NH2-OD1 3.73Å; R196-D214 PolarHBondContact NH2-OD1 2.7Å; R196-D214 VanDerWaalsContact NH2-OD1 3.11Å; R196-D214 IonicContact NH2-OD2 3.45Å; R196-D214 PolarHBondContact NH2-OD2 3.41Å
215D58.5Low65.3Low29 Ų2945.1 Ų45.116%0.15523%0.231CC..  trans-106.2144.6-165.7-54.5-38.7000111.6A35 T115 Y217A35-D215 WeakPolarHBondContact CB-O 3.25Å; T115-D215 PolarHBondContact N-OD2 3.07Å; T115-D215 PolarHBondContact OG1-OD2 3.14Å; D215-Y217 VanDerWaalsContact C-N 3.28Å; D215-Y217 PolarHBondContact O-N 3.08Å
216N56.5Low64.2Low70 Ų7046.2 Ų46.237%0.37424%0.238SC..SBendtrans-77.8-11.4177.6-70.2-6.3000113.4P34 A35 Y244 K245P34-N216 CarbonylContact C-O 3.6Å; P34-N216 WeakPolarHBondContact CA-O 3.43Å; A35-N216 VanDerWaalsContact CB-C 3.48Å; A35-N216 PolarHBondContact N-O 3.18Å; N216-Y244 WeakPolarHBondContact CB-O 3.42Å; N216-Y244 PolarHBondContact ND2-O 2.63Å; N216-K245 PolarHBondContact ND2-O 2.96Å
217Y59.2Low62.8Low18 Ų1843.5 Ų43.57%0.07123%0.233CC..EExtended strand (participates in β ladder)trans-147.8160.117975.6-75.7000111.5F33 P114 D215 V219F33-Y217 CarbonylContact O-C 3.47Å; F33-Y217 WeakPolarHBondContact O-CA 3.44Å; F33-Y217 WeakPolarHBondContact O-CB 3.36Å; P114-Y217 HydrophobicContact CB-CD2 4.2Å; P114-Y217 HydrophobicContact CB-CE2 3.5Å; P114-Y217 HydrophobicContact CG-CE2 4.26Å; D215-Y217 VanDerWaalsContact C-N 3.28Å; D215-Y217 PolarHBondContact O-N 3.08Å; Y217-V219 HydrophobicContact CE2-CG2 4.4Å
218K65.3Low61.4Low7 Ų749.4 Ų49.43%0.0326%0.257CS..EExtended strand (participates in β ladder)trans-134.3160.6180-53.7-172.8177.2-178.80110.3A32 F33 A35 T115 V117 N191A32-K218 WeakPolarHBondContact CA-O 3.25Å; F33-K218 HydrophobicContact CD2-CB 4.24Å; F33-K218 HydrophobicContact CE1-CB 4.08Å; F33-K218 HydrophobicContact CE2-CB 3.66Å; F33-K218 HydrophobicContact CE2-CD 3.98Å; F33-K218 HydrophobicContact CE2-CG 4.17Å; F33-K218 HydrophobicContact CZ-CB 3.57Å; F33-K218 HydrophobicContact CZ-CD 4.27Å; F33-K218 HydrophobicContact CZ-CG 4.46Å; F33-K218 PolarHBondContact N-O 3.45Å; F33-K218 PolarHBondContact O-N 3.21Å; A35-K218 HydrophobicContact CB-CG 4.06Å; T115-K218 HydrophobicContact CG2-CB 4.35Å; T115-K218 HydrophobicContact CG2-CD 3.94Å; T115-K218 HydrophobicContact CG2-CG 3.93Å; T115-K218 CarbonylContact O-C 3.42Å; T115-K218 VanDerWaalsContact O-CA 3.28Å; T115-K218 WeakPolarHBondContact O-CA 3.49Å; V117-K218 HydrophobicContact CG2-CB 3.79Å; V117-K218 HydrophobicContact CG2-CD 3.74Å; V117-K218 HydrophobicContact CG2-CG 4.35Å; N191-K218 PolarHBondContact OD1-NZ 3.08Å
219V68.4Low59.4Low0 Ų056.3 Ų56.30%029%0.294CS..EExtended strand (participates in β ladder)trans-126.2135.9-177.1158.30000110.4I30 A31 A32 P114 T115 I116 V117 Y217I30-V219 HydrophobicContact CB-CG1 4.25Å; I30-V219 HydrophobicContact CD1-CG1 4.46Å; I30-V219 HydrophobicContact CG1-CG1 3.98Å; I30-V219 HydrophobicContact CG2-CB 4.19Å; I30-V219 HydrophobicContact CG2-CG1 3.39Å; I30-V219 HydrophobicContact CG2-CG2 3.88Å; A31-V219 WeakPolarHBondContact O-CA 3.28Å; A32-V219 HydrophobicContact CB-CG2 4.3Å; P114-V219 HydrophobicContact CB-CB 4.27Å; P114-V219 HydrophobicContact CB-CG2 3.81Å; P114-V219 HydrophobicContact CG-CB 4.24Å; P114-V219 HydrophobicContact CG-CG2 3.79Å; T115-V219 PolarHBondContact O-N 2.79Å; I116-V219 CarbonylContact C-O 3.47Å; I116-V219 WeakPolarHBondContact CA-O 3.26Å; V117-V219 PolarHBondContact N-O 2.84Å; Y217-V219 HydrophobicContact CE2-CG2 4.4Å
220M72.5Confident57.6Low2 Ų259.5 Ų59.51%0.0131%0.311CS..EExtended strand (participates in β ladder)trans-116.9140165.9-78.7177.5175.400109.9I30 A31 F33 P43 P56 V117 L189I30-M220 CarbonylContact C-O 3.56Å; I30-M220 WeakPolarHBondContact CA-O 3.33Å; A31-M220 PolarHBondContact N-O 3.19Å; A31-M220 PolarHBondContact O-N 3.49Å; F33-M220 HydrophobicContact CE1-CE 4.48Å; F33-M220 HydrophobicContact CE1-CG 3.94Å; F33-M220 HydrophobicContact CE1-SD 4.16Å; F33-M220 HydrophobicContact CZ-CE 4.21Å; F33-M220 HydrophobicContact CZ-CG 4.43Å; F33-M220 HydrophobicContact CZ-SD 4.48Å; P43-M220 HydrophobicContact CB-CE 3.37Å; P43-M220 HydrophobicContact CB-SD 3.83Å; P43-M220 HydrophobicContact CG-CE 4.15Å; P56-M220 HydrophobicContact CB-SD 4.06Å; P56-M220 HydrophobicContact CG-SD 3.99Å; V117-M220 HydrophobicContact CB-CE 3.58Å; V117-M220 HydrophobicContact CB-CG 3.74Å; V117-M220 HydrophobicContact CG1-CE 3.28Å; V117-M220 HydrophobicContact CG1-CG 4.47Å; V117-M220 HydrophobicContact CG2-CE 4.37Å; L189-M220 HydrophobicContact CD2-CE 3.95Å
221V70.3Confident56.2Low1 Ų158.4 Ų58.41%0.00632%0.315CS..EExtended strand (participates in β ladder)trans-88.4138.4171-174.80000108.3I17 I28 G29 L57 F73 L77I17-V221 HydrophobicContact CD1-CG1 3.82Å; I17-V221 HydrophobicContact CD1-CG2 3.9Å; I28-V221 HydrophobicContact CG2-CG1 3.53Å; G29-V221 WeakPolarHBondContact O-CA 3.45Å; L57-V221 HydrophobicContact CD1-CG1 3.87Å; L57-V221 PolarHBondContact N-O 2.77Å; F73-V221 HydrophobicContact CE1-CB 4.29Å; F73-V221 HydrophobicContact CE1-CG1 4.45Å; F73-V221 HydrophobicContact CE1-CG2 4.12Å; F73-V221 HydrophobicContact CZ-CB 4.24Å; F73-V221 HydrophobicContact CZ-CG1 4.24Å; L77-V221 HydrophobicContact CD1-CG1 4.43Å
222Y67.5Low54.9Low2 Ų259.3 Ų59.31%0.00832%0.317CS..EExtended strand (participates in β ladder)trans-139.2148.7-179.963.3-99.7000112.1I28 G29 A31 A50 P52 Q55 D224I28-Y222 WeakPolarHBondContact CA-O 3.4Å; G29-Y222 PolarHBondContact N-O 2.9Å; G29-Y222 PolarHBondContact O-N 3.08Å; G29-Y222 VanDerWaalsContact O-N 3.09Å; A31-Y222 HydrophobicContact CB-CD1 3.87Å; A31-Y222 HydrophobicContact CB-CE1 3.77Å; A31-Y222 VanDerWaalsContact N-CE1 3.32Å; A50-Y222 HydrophobicContact CB-CE1 4.16Å; P52-Y222 WeakPolarHBondContact O-CE2 3.36Å; P52-Y222 PolarHBondContact O-OH 3.23Å; Q55-Y222 VanDerWaalsContact O-CA 3.24Å; Q55-Y222 WeakPolarHBondContact O-CA 3.23Å; Q55-Y222 WeakPolarHBondContact O-CB 3.32Å; Y222-D224 HydrophobicContact CD2-CB 4.43Å; Y222-D224 HydrophobicContact CE2-CB 4.18Å
223P61.1Low53.9Low20 Ų2064 Ų6413%0.1333%0.33CS..EExtended strand (participates in β ladder)trans-79.7149.416334-22.1000110.3P26 N27 G54 Q55 L57P26-P223 HydrophobicContact CB-CB 3.99Å; P26-P223 HydrophobicContact CG-CB 3.4Å; P26-P223 VanDerWaalsContact CG-CB 3.4Å; N27-P223 CarbonylContact O-C 3.56Å; N27-P223 WeakPolarHBondContact O-CA 3.47Å; G54-P223 WeakPolarHBondContact CA-O 2.86Å; Q55-P223 PolarHBondContact N-O 2.88Å; Q55-P223 WeakPolarHBondContact O-CD 3.04Å; L57-P223 HydrophobicContact CD2-CB 4.33Å; L57-P223 HydrophobicContact CD2-CG 3.71Å; L57-P223 HydrophobicContact CG-CG 4.38Å
224D63.3Low52.7Low4 Ų466.8 Ų66.82%0.02134%0.342CS..EExtended strand (participates in β ladder)trans-121.2135.3-173.7150.935.8000110.7P26 N27 P52 Y222 C226P26-D224 VanDerWaalsContact CB-O 3.29Å; P26-D224 WeakPolarHBondContact CB-O 3.39Å; N27-D224 HydrophobicContact CB-CB 3.69Å; N27-D224 WeakPolarHBondContact CB-OD2 3.43Å; N27-D224 PolarHBondContact N-O 2.75Å; N27-D224 PolarHBondContact ND2-OD2 2.85Å; N27-D224 PolarHBondContact O-N 3.04Å; P52-D224 HydrophobicContact CB-CB 4.35Å; P52-D224 VanDerWaalsContact CB-CG 3.48Å; P52-D224 WeakPolarHBondContact CB-OD1 3.04Å; P52-D224 HydrophobicContact CG-CB 3.7Å; P52-D224 WeakPolarHBondContact CG-OD1 3.47Å; P52-D224 WeakPolarHBondContact CG-OD2 3.36Å; Y222-D224 HydrophobicContact CD2-CB 4.43Å; Y222-D224 HydrophobicContact CE2-CB 4.18Å; D224-C226 PolarHBondContact OD1-N 3.27Å
225E52.4Low51.4Low169 Ų16966 Ų6679%0.7935%0.348SS*.  trans-97.2108.4165.3-69.3-178.3-177.400110S227E225-S227 PolarHBondContact O-N 2.9Å
226C50.6Low49.8Very low26 Ų2671.2 Ų71.218%0.17637%0.37CS..  trans-54.7121.3167.1-72.30000111.1N27 Q85 C87 D224 E228N27-C226 PolarHBondContact ND2-SG 3.48Å; Q85-C226 PolarHBondContact OE1-SG 3.16Å; C87-C226 HydrophobicContact CB-CB 4.33Å; C87-C226 WeakPolarHBondContact CB-SG 3.18Å; C87-C226 WeakPolarHBondContact SG-CB 3.49Å; C87-C226 CovalentContact SG-SG 2Å; C87-C226 PolarHBondContact SG-SG 3.17Å; D224-C226 PolarHBondContact OD1-N 3.27Å; C226-E228 PolarHBondContact O-N 2.96Å
227S48.6Very low48.5Very low56 Ų5676.4 Ų76.439%0.39239%0.389SS..  trans-75121.416162.90000109.1E225 D229E225-S227 PolarHBondContact O-N 2.9Å; S227-D229 PolarHBondContact O-N 3.16Å
228E50Low47.3Very low175 Ų17584.6 Ų84.682%0.81842%0.421SS*.THydrogen-bonded Turntrans-61.3-25.3175.8-68-172.3156.400112.5C226C226-E228 PolarHBondContact O-N 2.96Å
229D42.3Very low45.9Very low151 Ų15186.9 Ų86.981%0.80744%0.436SS*.THydrogen-bonded Turntrans-97.5-9.7-165.8-71.6-38000116S227S227-D229 PolarHBondContact O-N 3.16Å
230D40Very low44.4Very low78 Ų7889.5 Ų89.542%0.41745%0.45SS..  trans-136.584.4-166.6-91.3-19.8000111.5Y51 H232Y51-D230 PolarHBondContact OH-O 3.28Å; D230-H232 VanDerWaalsContact CB-CD2 3.49Å; D230-H232 WeakPolarHBondContact CB-CD2 3.39Å; D230-H232 PolarHBondContact O-N 3.02Å; D230-H232 IonicContact OD1-CE1 3.95Å; D230-H232 IonicContact OD1-NE2 3.17Å; D230-H232 PolarHBondContact OD1-NE2 2.88Å; D230-H232 IonicContact OD2-CD2 3.03Å; D230-H232 IonicContact OD2-NE2 2.86Å; D230-H232 PolarHBondContact OD2-NE2 2.59Å
231V36.4Very low42.9Very low138 Ų13890.5 Ų90.584%0.83646%0.457SS*.  trans-72.168.9156.9-172.20000107.2E233V231-E233 PolarHBondContact O-N 3.15Å
232H31.8Very low41.6Very low95 Ų9598.5 Ų98.544%0.4449%0.487SS..  trans-68.6106163-72.4-57.9000105.7D230 F234D230-H232 VanDerWaalsContact CB-CD2 3.49Å; D230-H232 WeakPolarHBondContact CB-CD2 3.39Å; D230-H232 PolarHBondContact O-N 3.02Å; D230-H232 IonicContact OD1-CE1 3.95Å; D230-H232 IonicContact OD1-NE2 3.17Å; D230-H232 PolarHBondContact OD1-NE2 2.88Å; D230-H232 IonicContact OD2-CD2 3.03Å; D230-H232 IonicContact OD2-NE2 2.86Å; D230-H232 PolarHBondContact OD2-NE2 2.59Å; H232-F234 HydrophobicContact CB-CD2 3.38Å; H232-F234 HydrophobicContact CB-CE2 3.25Å; H232-F234 HydrophobicContact CB-CG 4.24Å; H232-F234 HydrophobicContact CB-CZ 4Å; H232-F234 AromaticContact CG-CE2 3.78Å; H232-F234 PolarHBondContact O-N 2.97Å
233E29.9Very low40.4Very low185 Ų185102.6 Ų102.686%0.86451%0.509SS*.  trans-60.472.7156.6-77.1-170.9150.800107.4V231 G235V231-E233 PolarHBondContact O-N 3.15Å; E233-G235 PolarHBondContact O-N 2.77Å
234F28.7Very low39.4Very low114 Ų114104 Ų10450%0.551%0.512SS..  trans-63100.5164.1-79.8-73000105.2Y51 H232 F236Y51-F234 AromaticContact CD1-CD2 3.82Å; Y51-F234 HydrophobicContact CD1-CD2 3.82Å; Y51-F234 HydrophobicContact CD1-CE2 4.29Å; Y51-F234 HydrophobicContact CD2-CD2 4.3Å; Y51-F234 AromaticContact CD2-CE2 3.94Å; Y51-F234 HydrophobicContact CD2-CE2 3.94Å; Y51-F234 HydrophobicContact CE1-CD2 4.11Å; Y51-F234 HydrophobicContact CE2-CE2 4.18Å; Y51-F234 AromaticContact CG-CD2 3.9Å; Y51-F234 HydrophobicContact CG-CD2 3.9Å; Y51-F234 AromaticContact CG-CE2 3.99Å; Y51-F234 HydrophobicContact CG-CE2 3.99Å; H232-F234 HydrophobicContact CB-CD2 3.38Å; H232-F234 HydrophobicContact CB-CE2 3.25Å; H232-F234 HydrophobicContact CB-CG 4.24Å; H232-F234 HydrophobicContact CB-CZ 4Å; H232-F234 AromaticContact CG-CE2 3.78Å; H232-F234 PolarHBondContact O-N 2.97Å; F234-F236 PolarHBondContact O-N 3.47Å
235G25.5Very low38.4Very low45 Ų45108.8 Ų108.846%0.46453%0.533SS..  trans-43.2126.3177.600000109.1E233 F237E233-G235 PolarHBondContact O-N 2.77Å; G235-F237 VanDerWaalsContact C-N 3.35Å; G235-F237 WeakPolarHBondContact O-CD2 3.44Å; G235-F237 PolarHBondContact O-N 3.01Å
236F26.3Very low38Very low140 Ų140105.4 Ų105.461%0.61452%0.524SS*.  trans-45.892.7179.5-59-92.1000111.2P91 F234 Y238P91-F236 HydrophobicContact CG-CD1 3.53Å; P91-F236 HydrophobicContact CG-CE1 3.92Å; F234-F236 PolarHBondContact O-N 3.47Å; F236-Y238 HydrophobicContact CB-CD2 4.42Å; F236-Y238 PolarHBondContact O-N 2.87Å
237F29.6Very low37.5Very low179 Ų179108.2 Ų108.279%0.78554%0.537SS*.  trans-79.588.1163.1-68-76.7000105.7G235 V239G235-F237 VanDerWaalsContact C-N 3.35Å; G235-F237 WeakPolarHBondContact O-CD2 3.44Å; G235-F237 PolarHBondContact O-N 3.01Å; F237-V239 PolarHBondContact O-N 2.84Å
238Y32.3Very low36.9Very low189 Ų189107.3 Ų107.374%0.74154%0.536SS*.  trans-53.499.3151-82.7-91.2000105.8F236 D240F236-Y238 HydrophobicContact CB-CD2 4.42Å; F236-Y238 PolarHBondContact O-N 2.87Å; Y238-D240 PolarHBondContact O-N 2.84Å; Y238-D240 VanDerWaalsContact O-N 3.15Å
239V37.1Very low36.3Very low55 Ų55104.1 Ų104.133%0.33353%0.529SS..  trans-74.7107.9166.2-168.40000104.9C93 F237 C241 Y244C93-V239 PolarHBondContact SG-O 2.83Å; F237-V239 PolarHBondContact O-N 2.84Å; V239-C241 PolarHBondContact O-N 3.16Å; V239-Y244 HydrophobicContact CB-CE2 4.03Å; V239-Y244 HydrophobicContact CG1-CD2 3.86Å; V239-Y244 HydrophobicContact CG1-CE2 3.12Å
240D37.2Very low36Very low55 Ų5598.5 Ų98.529%0.29451%0.507SS..  trans-61.6111171.1-166.1-22.3000106.4Y238 R242 D243Y238-D240 PolarHBondContact O-N 2.84Å; Y238-D240 VanDerWaalsContact O-N 3.15Å; D240-R242 PolarHBondContact O-N 2.81Å; D240-R242 WeakPolarHBondContact OD1-CA 3.48Å; D240-R242 WeakPolarHBondContact OD1-CB 3.5Å; D240-R242 WeakPolarHBondContact OD1-CG 3.33Å; D240-R242 IonicContact OD1-CZ 2.95Å; D240-R242 PolarHBondContact OD1-N 3.02Å; D240-R242 IonicContact OD1-NE 3.11Å; D240-R242 PolarHBondContact OD1-NE 2.85Å; D240-R242 IonicContact OD1-NH2 3.8Å; D240-R242 IonicContact OD2-CZ 2.82Å; D240-R242 IonicContact OD2-NE 2.82Å; D240-R242 PolarHBondContact OD2-NE 2.64Å; D240-R242 IonicContact OD2-NH2 2.68Å; D240-R242 PolarHBondContact OD2-NH2 3.19Å; D240-D243 WeakPolarHBondContact O-CA 3.4Å; D240-D243 WeakPolarHBondContact O-CB 3.45Å; D240-D243 PolarHBondContact O-N 2.76Å
241C41.1Very low35.7Very low24 Ų2499.9 Ų99.916%0.16252%0.523CS..Hα-helixtrans-59.4-16174-67.80000111.5C93 V239 D243 Y244 K245C93-C241 VanDerWaalsContact CB-SG 3.51Å; C93-C241 PolarHBondContact SG-SG 3.44Å; V239-C241 PolarHBondContact O-N 3.16Å; C241-D243 VanDerWaalsContact C-N 3.26Å; C241-D243 PolarHBondContact O-N 3.06Å; C241-Y244 CarbonylContact O-C 3.52Å; C241-Y244 PolarHBondContact O-N 2.72Å; C241-Y244 VanDerWaalsContact O-N 3.16Å; C241-K245 WeakPolarHBondContact O-CG 3.06Å; C241-K245 PolarHBondContact O-N 3Å
242R43Very low35.7Very low169 Ų16997.3 Ų97.364%0.63851%0.511SS*.Hα-helixtrans-61.3-34.5167.1-64.4177.3-76.2-175.6-0.5111.9D240 Y244 K245 T246D240-R242 PolarHBondContact O-N 2.81Å; D240-R242 WeakPolarHBondContact OD1-CA 3.48Å; D240-R242 WeakPolarHBondContact OD1-CB 3.5Å; D240-R242 WeakPolarHBondContact OD1-CG 3.33Å; D240-R242 IonicContact OD1-CZ 2.95Å; D240-R242 PolarHBondContact OD1-N 3.02Å; D240-R242 IonicContact OD1-NE 3.11Å; D240-R242 PolarHBondContact OD1-NE 2.85Å; D240-R242 IonicContact OD1-NH2 3.8Å; D240-R242 IonicContact OD2-CZ 2.82Å; D240-R242 IonicContact OD2-NE 2.82Å; D240-R242 PolarHBondContact OD2-NE 2.64Å; D240-R242 IonicContact OD2-NH2 2.68Å; D240-R242 PolarHBondContact OD2-NH2 3.19Å; R242-Y244 VanDerWaalsContact C-N 3.29Å; R242-Y244 PolarHBondContact O-N 2.71Å; R242-K245 CarbonylContact O-C 3.52Å; R242-K245 WeakPolarHBondContact O-CA 3.16Å; R242-K245 WeakPolarHBondContact O-CB 3.21Å; R242-K245 PolarHBondContact O-N 3.21Å; R242-T246 WeakPolarHBondContact O-CB 3.45Å; R242-T246 PolarHBondContact O-N 3.03Å; R242-T246 PolarHBondContact O-OG1 2.85Å
243D40.7Very low35.7Very low87 Ų8798 Ų9847%0.46553%0.527SS..Hα-helixtrans-65.1-34.2173.4-70.5-20.3000111.4D240 C241 T246 N247D240-D243 WeakPolarHBondContact O-CA 3.4Å; D240-D243 WeakPolarHBondContact O-CB 3.45Å; D240-D243 PolarHBondContact O-N 2.76Å; C241-D243 VanDerWaalsContact C-N 3.26Å; C241-D243 PolarHBondContact O-N 3.06Å; D243-T246 WeakPolarHBondContact CA-OG1 3.31Å; D243-N247 CarbonylContact O-C 3.58Å; D243-N247 WeakPolarHBondContact O-CA 3.34Å; D243-N247 VanDerWaalsContact O-CB 3.31Å; D243-N247 WeakPolarHBondContact O-CB 3.49Å; D243-N247 PolarHBondContact O-N 2.7Å
244Y41.5Very low35.7Very low51 Ų51100 Ų10020%0.253%0.526CS..Hα-helixtrans-72.2-28.6169.2-66.3-61.1000112.8P34 N216 V239 C241 R242P34-Y244 HydrophobicContact CB-CD1 4.28Å; P34-Y244 HydrophobicContact CB-CE1 4.4Å; P34-Y244 HydrophobicContact CG-CD1 4.47Å; P34-Y244 HydrophobicContact CG-CE1 4.1Å; N216-Y244 WeakPolarHBondContact CB-O 3.42Å; N216-Y244 PolarHBondContact ND2-O 2.63Å; V239-Y244 HydrophobicContact CB-CE2 4.03Å; V239-Y244 HydrophobicContact CG1-CD2 3.86Å; V239-Y244 HydrophobicContact CG1-CE2 3.12Å; C241-Y244 CarbonylContact O-C 3.52Å; C241-Y244 PolarHBondContact O-N 2.72Å; C241-Y244 VanDerWaalsContact O-N 3.16Å; R242-Y244 VanDerWaalsContact C-N 3.29Å; R242-Y244 PolarHBondContact O-N 2.71Å
245K42.2Very low35.6Very low103 Ų103104.1 Ų104.145%0.44854%0.544SS..Hα-helixtrans-74.8-39.7174.2-70.7-172.6177.7-169.20112.6D112 N216 C241 R242D112-K245 VanDerWaalsContact CG-NZ 3.33Å; D112-K245 IonicContact OD1-NZ 3.95Å; D112-K245 IonicContact OD2-NZ 2.76Å; D112-K245 PolarHBondContact OD2-NZ 2.95Å; N216-K245 PolarHBondContact ND2-O 2.96Å; C241-K245 WeakPolarHBondContact O-CG 3.06Å; C241-K245 PolarHBondContact O-N 3Å; R242-K245 CarbonylContact O-C 3.52Å; R242-K245 WeakPolarHBondContact O-CA 3.16Å; R242-K245 WeakPolarHBondContact O-CB 3.21Å; R242-K245 PolarHBondContact O-N 3.21Å
246T44.3Very low35.9Very low98 Ų98106.3 Ų106.360%0.60156%0.557SS**Hα-helixtrans-88.9-41.2-176.249.20000112.3R242 D243R242-T246 WeakPolarHBondContact O-CB 3.45Å; R242-T246 PolarHBondContact O-N 3.03Å; R242-T246 PolarHBondContact O-OG1 2.85Å; D243-T246 WeakPolarHBondContact CA-OG1 3.31Å
247N38.2Very low35.9Very low85 Ų85103 Ų10346%0.45556%0.563SS.*  trans-114.570.1-174-62.1-33000110.2D243 T249 G250D243-N247 CarbonylContact O-C 3.58Å; D243-N247 WeakPolarHBondContact O-CA 3.34Å; D243-N247 VanDerWaalsContact O-CB 3.31Å; D243-N247 WeakPolarHBondContact O-CB 3.49Å; D243-N247 PolarHBondContact O-N 2.7Å; N247-T249 CarbonylContact O-C 3.52Å; N247-T249 PolarHBondContact O-N 2.77Å; N247-G250 PolarHBondContact O-N 2.86Å
248G36.8Very low35.7Very low37 Ų37106.3 Ų106.338%0.38157%0.57SS.*THydrogen-bonded Turntrans-54.612.1165.900000115.6
249T37.3Very low36Very low108 Ų108108.5 Ų108.566%0.66359%0.593SS**THydrogen-bonded Turntrans-131.535.5173.6570000111.5N247 S251N247-T249 CarbonylContact O-C 3.52Å; N247-T249 PolarHBondContact O-N 2.77Å; T249-S251 VanDerWaalsContact C-N 3.28Å; T249-S251 PolarHBondContact O-N 3.03Å; T249-S251 PolarHBondContact O-OG 2.76Å
250G36.1Very low35.9Very low33 Ų33111.2 Ų111.234%0.3461%0.606SS.*  trans-53.987.2179.200000112.1N247 S252N247-G250 PolarHBondContact O-N 2.86Å; G250-S252 PolarHBondContact O-N 2.76Å
251S34.7Very low35.8Very low107 Ų107114.2 Ų114.275%0.74862%0.622SS**  trans-64.3104.6168.1-52.50000104.8T249 S253T249-S251 VanDerWaalsContact C-N 3.28Å; T249-S251 PolarHBondContact O-N 3.03Å; T249-S251 PolarHBondContact O-OG 2.76Å; S251-S253 VanDerWaalsContact C-N 3.27Å; S251-S253 PolarHBondContact O-N 2.82Å
252S35.7Very low35.5Very low84 Ų84119.2 Ų119.259%0.58765%0.648SS**  trans-53.497.9169.3166.60000107.6G250 R254G250-S252 PolarHBondContact O-N 2.76Å; S252-R254 PolarHBondContact O-N 2.96Å
253S31.5Very low35.1Very low111 Ų111116.2 Ų116.278%0.77665%0.648SS**  trans-67.180.2167.630.70000106.9S251 K255S251-S253 VanDerWaalsContact C-N 3.27Å; S251-S253 PolarHBondContact O-N 2.82Å; S253-K255 PolarHBondContact O-N 2.79Å
254R29.8Very low34.7Very low225 Ų225118.1 Ų118.185%0.84966%0.66SS**  trans-60.886.9162.4-75.9-174.6-179.8-176.2-1.6106.8S252 A256S252-R254 PolarHBondContact O-N 2.96Å; R254-A256 PolarHBondContact O-N 3.47Å
255K26.9Very low34.3Very low202 Ų202122.5 Ų122.588%0.87869%0.69SS**  trans-71.584.8151.6-82-172176.6-179.90105.6S253 G257S253-K255 PolarHBondContact O-N 2.79Å; K255-G257 VanDerWaalsContact C-N 3.34Å; K255-G257 PolarHBondContact O-N 2.77Å
256A31Very low33.7Very low90 Ų90123.9 Ų123.974%0.74471%0.708SS**  trans-55105.1161.500000106.6R254 R258R254-A256 PolarHBondContact O-N 3.47Å; A256-R258 PolarHBondContact O-N 3.14Å; A256-R258 VanDerWaalsContact O-N 3.14Å
257G26.5Very low32.9Very low72 Ų72125.9 Ų125.974%0.74272%0.716SS**  trans-59113.9161.600000106.7K255 I259K255-G257 VanDerWaalsContact C-N 3.34Å; K255-G257 PolarHBondContact O-N 2.77Å; G257-I259 PolarHBondContact O-N 2.98Å
258R24.9Very low32.5Very low247 Ų247129.3 Ų129.393%0.93274%0.738SS**  trans-60.3128.6167.3-94177167168.4-5.5108.2A256A256-R258 PolarHBondContact O-N 3.14Å; A256-R258 VanDerWaalsContact O-N 3.14Å
259I38.6Very low32.1Very low236 Ų236137.7 Ų137.7100%1.2177%0.77SS**  trans-68.30145.9-56.5173.9000106.9G257G257-I259 PolarHBondContact O-N 2.98Å

Retrieved 259 of 259 residues in 137.7 ms (Link to these results)

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