A0A087YL84_POEFO Loading...

Cleavage and polyadenylation specificity factor subunit 2

AlphaFold DB , UniProt , Accession A0A087YL84, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 787 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
1M52.4Low86Confident218 Ų21839.8 Ų39.8100%1.07420%0.203SC*.  0148.90-73.1176.1-130.500107.5
2T68.2Low86.1Confident42 Ų4236.5 Ų36.526%0.25819%0.186SC..PPolyproline II helixtrans-76.6124.9172.8440000108.9
3S78.8Confident86.3Confident11 Ų1134.2 Ų34.28%0.07718%0.175CC..PPolyproline II helixtrans-70.3144.3179.4-72.20000112.5D26 E167 T600S3-D26 WeakPolarHBondContact CA-OD1 3.48Å; S3-D26 WeakPolarHBondContact CB-OD1 3.43Å; S3-D26 WeakPolarHBondContact CB-OD2 3.01Å; S3-D26 PolarHBondContact OG-OD1 3.38Å; S3-D26 PolarHBondContact OG-OD2 2.92Å; S3-E167 WeakPolarHBondContact CB-OE1 3.36Å; S3-E167 WeakPolarHBondContact CB-OE2 3.09Å; S3-E167 PolarHBondContact N-OE1 2.77Å; S3-E167 VanDerWaalsContact OG-CD 3.28Å; S3-E167 PolarHBondContact OG-OE1 3.37Å; S3-E167 VanDerWaalsContact OG-OE1 3.1Å; S3-E167 PolarHBondContact OG-OE2 3.44Å; S3-T600 VanDerWaalsContact O-CG2 3.28Å; S3-T600 WeakPolarHBondContact O-CG2 3.34Å
4I87.4Confident86Confident73 Ų7337.5 Ų37.537%0.37419%0.189SC..PPolyproline II helixtrans-85.5119.8177.8-61.2173.1000108.2K6 V25 D26I4-K6 HydrophobicContact CG2-CD 4.1Å; I4-K6 HydrophobicContact CG2-CG 4.1Å; I4-V25 CarbonylContact O-C 3.53Å; I4-V25 WeakPolarHBondContact O-CA 3.38Å; I4-D26 PolarHBondContact N-OD1 3.02Å; I4-D26 PolarHBondContact O-N 2.95Å
5I92.4Very high85.9Confident6 Ų639.8 Ų39.83%0.03120%0.199CC..EExtended strand (participates in β ladder)trans-119.7112.7179.7-54.3169.6000109L23 Q24 I170 L197 A599 T600I5-L23 HydrophobicContact CG2-CD1 4.03Å; I5-Q24 WeakPolarHBondContact CA-O 3.39Å; I5-I170 HydrophobicContact CD1-CD1 3.87Å; I5-I170 HydrophobicContact CD1-CG1 4.3Å; I5-I170 HydrophobicContact CG1-CD1 4.2Å; I5-I170 HydrophobicContact CG2-CD1 4.01Å; I5-L197 HydrophobicContact CG2-CD2 3.78Å; I5-A599 HydrophobicContact CG2-CB 4.33Å; I5-A599 CarbonylContact O-C 3.51Å; I5-A599 PolarHBondContact O-N 3.28Å; I5-T600 PolarHBondContact N-OG1 3.31Å; I5-T600 PolarHBondContact O-N 2.87Å; I5-T600 PolarHBondContact O-OG1 3.42Å
6K94.8Very high85.8Confident66 Ų6638.7 Ų38.729%0.28719%0.193SC..EExtended strand (participates in β ladder)trans-129.4133.1179.4-65.6177.8179.9176.20110.9I4 Q24 T596 V597 D598I4-K6 HydrophobicContact CG2-CD 4.1Å; I4-K6 HydrophobicContact CG2-CG 4.1Å; K6-Q24 HydrophobicContact CB-CB 4.27Å; K6-Q24 PolarHBondContact N-O 3.28Å; K6-Q24 PolarHBondContact O-N 2.8Å; K6-T596 HydrophobicContact CB-CG2 4.02Å; K6-V597 WeakPolarHBondContact CA-O 3.33Å; K6-D598 VanDerWaalsContact CE-OD2 3.3Å; K6-D598 WeakPolarHBondContact CE-OD2 3.43Å
7L96.4Very high85.6Confident2 Ų237.2 Ų37.21%0.0119%0.187CC..EExtended strand (participates in β ladder)trans-114.5120.2174.4-173.576.1000109.6L22 L23 L32 I199 V563 V565 T596 V597L7-L22 CarbonylContact C-O 3.49Å; L7-L22 WeakPolarHBondContact CA-O 3.49Å; L7-L23 HydrophobicContact CD1-CB 3.93Å; L7-L23 HydrophobicContact CD1-CD1 4.16Å; L7-L32 HydrophobicContact CD1-CD1 4.28Å; L7-I199 HydrophobicContact CD1-CD1 3.84Å; L7-I199 HydrophobicContact CD2-CD1 3.99Å; L7-I199 HydrophobicContact CD2-CG1 4.27Å; L7-I199 HydrophobicContact CD2-CG2 4.21Å; L7-I199 HydrophobicContact CG-CD1 4.47Å; L7-V563 HydrophobicContact CD2-CB 4.32Å; L7-V563 HydrophobicContact CD2-CG1 3.7Å; L7-V565 HydrophobicContact CD2-CG1 4.33Å; L7-T596 CarbonylContact O-C 3.58Å; L7-T596 WeakPolarHBondContact O-CA 3.28Å; L7-V597 PolarHBondContact N-O 3.3Å; L7-V597 PolarHBondContact O-N 3.4Å
8T95.9Very high85.9Confident13 Ų1335.1 Ų35.18%0.0818%0.177CC..EExtended strand (participates in β ladder)trans-102.9124171.1-52.20000109.8V10 L22 E595 T596T8-V10 PolarHBondContact O-N 3.29Å; T8-L22 PolarHBondContact N-O 3.35Å; T8-L22 PolarHBondContact O-N 2.95Å; T8-E595 WeakPolarHBondContact CA-O 3.36Å; T8-T596 WeakPolarHBondContact CG2-OG1 3.26Å; T8-T596 WeakPolarHBondContact OG1-CG2 3.4Å; T8-T596 PolarHBondContact OG1-OG1 2.93Å
9A94.1Very high86.3Confident0 Ų033.3 Ų33.30%017%0.167CC..EExtended strand (participates in β ladder)trans-80.9101.9175.800000111V13 Y21 P591 Q594 E595A9-V13 HydrophobicContact CB-CB 4.32Å; A9-V13 HydrophobicContact CB-CG2 3.49Å; A9-V13 VanDerWaalsContact CB-CG2 3.49Å; A9-Y21 HydrophobicContact CB-CD1 4.49Å; A9-P591 HydrophobicContact CB-CB 4.25Å; A9-P591 HydrophobicContact CB-CG 4.46Å; A9-Q594 WeakPolarHBondContact O-CA 3.49Å; A9-Q594 PolarHBondContact O-N 3.27Å; A9-E595 PolarHBondContact N-O 3.33Å; A9-E595 VanDerWaalsContact N-O 3.09Å
10V92.6Very high86.8Confident5 Ų531.7 Ų31.73%0.0316%0.159CC..EExtended strand (participates in β ladder)trans-77.1-46.1179.4-175.40000110.2T8 C20 L22 A47 M48 Y51 L593T8-V10 PolarHBondContact O-N 3.29Å; V10-C20 WeakPolarHBondContact CA-O 3.46Å; V10-C20 HydrophobicContact CB-CB 4.11Å; V10-C20 VanDerWaalsContact CB-O 3.31Å; V10-C20 WeakPolarHBondContact CB-O 3.4Å; V10-C20 HydrophobicContact CG1-CB 4.48Å; V10-C20 PolarHBondContact N-O 2.95Å; V10-L22 HydrophobicContact CG2-CB 4.35Å; V10-A47 HydrophobicContact CG1-CB 3.72Å; V10-M48 HydrophobicContact CG1-CB 4.39Å; V10-Y51 HydrophobicContact CG2-CD2 4.29Å; V10-Y51 HydrophobicContact CG2-CE2 4.43Å; V10-L593 WeakPolarHBondContact O-CD1 3.3Å
11S92.7Very high87.2Confident2 Ų230.1 Ų30.11%0.01415%0.152CC..EExtended strand (participates in β ladder)trans-148.6177.6173.568.50000111.5A18 C20 Y21S11-A18 WeakPolarHBondContact CB-O 3.42Å; S11-A18 PolarHBondContact OG-O 3.45Å; S11-C20 PolarHBondContact N-O 3.4Å; S11-C20 VanDerWaalsContact N-O 3.1Å; S11-C20 VanDerWaalsContact OG-CB 3.25Å; S11-C20 WeakPolarHBondContact OG-CB 3.45Å; S11-C20 PolarHBondContact OG-N 3.35Å; S11-Y21 WeakPolarHBondContact O-CE1 3.46Å
12G87.5Confident89.4Confident0 Ų020 Ų200%010%0.102CC..  trans73.440.9170.200000112.9E15 A18 Y21 H566G12-E15 PolarHBondContact N-OE1 2.93Å; G12-A18 VanDerWaalsContact CA-O 3.26Å; G12-A18 WeakPolarHBondContact CA-O 3.35Å; G12-A18 PolarHBondContact N-O 3.35Å; G12-Y21 PolarHBondContact O-OH 3.33Å; G12-H566 WeakPolarHBondContact O-CA 3.4Å; G12-H566 PolarHBondContact O-N 3.28Å
13V88.3Confident90.7Very high7 Ų718 Ų184%0.0429%0.09CC..SBendtrans-137.7132.5179.11780000110.4A9 E15 Y21 V565 P591A9-V13 HydrophobicContact CB-CB 4.32Å; A9-V13 HydrophobicContact CB-CG2 3.49Å; A9-V13 VanDerWaalsContact CB-CG2 3.49Å; V13-E15 PolarHBondContact O-N 2.89Å; V13-Y21 HydrophobicContact CG2-CE1 3.72Å; V13-V565 HydrophobicContact CG2-CB 4.42Å; V13-P591 HydrophobicContact CG1-CB 4.45Å; V13-P591 HydrophobicContact CG1-CG 4.2Å; V13-P591 WeakPolarHBondContact CG1-O 3.08Å
14Q81.9Confident91.5Very high80 Ų8019.8 Ų19.837%0.37410%0.097SC..SBendtrans58.419.8-173.4-61.4172.112.300113.4G567 P591 K592Q14-G567 CarbonylContact C-O 3.52Å; Q14-G567 WeakPolarHBondContact CA-O 3.28Å; Q14-P591 PolarHBondContact NE2-O 3.5Å; Q14-K592 VanDerWaalsContact NE2-CG 3.34Å
15E84.8Confident91.8Very high72 Ų7216.3 Ų16.334%0.3368%0.079SC..SBendtrans-150.6161.8179.364.8-175.3177.400109.5G12 V13 S17 G567G12-E15 PolarHBondContact N-OE1 2.93Å; V13-E15 PolarHBondContact O-N 2.89Å; E15-S17 VanDerWaalsContact CD-CB 3.43Å; E15-S17 PolarHBondContact O-N 2.91Å; E15-S17 WeakPolarHBondContact OE1-CB 3.41Å; E15-G567 PolarHBondContact N-O 2.83Å; E15-G567 VanDerWaalsContact N-O 3.16Å; E15-G567 PolarHBondContact O-N 2.81Å
16E83.8Confident91.6Very high22 Ų2218 Ų1810%0.1039%0.088CC..SBendtrans-9328.4176.7-67-175.4-17900111.4F203 T360 P361 R366E16-F203 HydrophobicContact CB-CD2 4.29Å; E16-F203 HydrophobicContact CB-CE2 3.78Å; E16-F203 HydrophobicContact CG-CD2 3.81Å; E16-F203 HydrophobicContact CG-CE2 3.48Å; E16-F203 VanDerWaalsContact CG-CE2 3.48Å; E16-T360 PolarHBondContact O-OG1 3.21Å; E16-P361 HydrophobicContact CB-CG 4.14Å; E16-R366 IonicContact OE1-NH2 2.88Å; E16-R366 PolarHBondContact OE1-NH2 3.21Å; E16-R366 IonicContact OE2-CZ 3.53Å; E16-R366 IonicContact OE2-NE 3.69Å; E16-R366 IonicContact OE2-NH2 2.62Å; E16-R366 PolarHBondContact OE2-NH2 3.44Å
17S84Confident91.4Very high13 Ų1322.4 Ų22.49%0.09111%0.11CC..SBendtrans-93.8178.9-177-164.80000112.2E15 H566E15-S17 VanDerWaalsContact CD-CB 3.43Å; E15-S17 PolarHBondContact O-N 2.91Å; E15-S17 WeakPolarHBondContact OE1-CB 3.41Å; S17-H566 PolarHBondContact O-CE1 3.1Å; S17-H566 VanDerWaalsContact O-CE1 3.32Å; S17-H566 PolarHBondContact O-ND1 3.1Å
18A89.7Confident91.3Very high0 Ų022.9 Ų22.90%011%0.112CC..  trans-63.1151.1-175.300000114.7S11 G12 I44S11-A18 WeakPolarHBondContact CB-O 3.42Å; S11-A18 PolarHBondContact OG-O 3.45Å; G12-A18 VanDerWaalsContact CA-O 3.26Å; G12-A18 WeakPolarHBondContact CA-O 3.35Å; G12-A18 PolarHBondContact N-O 3.35Å; A18-I44 HydrophobicContact CB-CD1 4.24Å
19L93.9Very high91.3Very high0 Ų024.9 Ų24.90%012%0.118CC..  trans-94.5129.8-169.3-48.7-166.9000111.8Y21 D33 G35 I66 H67 V174 H566L19-Y21 HydrophobicContact CB-CE2 3.98Å; L19-Y21 WeakPolarHBondContact CD2-OH 3.46Å; L19-D33 HydrophobicContact CB-CB 4.23Å; L19-G35 WeakPolarHBondContact O-CA 3.37Å; L19-G35 PolarHBondContact O-N 3.15Å; L19-I66 PolarHBondContact N-O 2.8Å; L19-H67 WeakPolarHBondContact CD1-NE2 3.21Å; L19-V174 HydrophobicContact CD1-CB 4.09Å; L19-V174 HydrophobicContact CD1-CG1 4.34Å; L19-V174 HydrophobicContact CD1-CG2 3.9Å; L19-H566 HydrophobicContact CD2-CB 3.73Å; L19-H566 VanDerWaalsContact CD2-CG 3.44Å; L19-H566 VanDerWaalsContact CD2-ND1 3.27Å; L19-H566 WeakPolarHBondContact CD2-ND1 3.33Å
20C95.6Very high91.4Very high1 Ų124.9 Ų24.91%0.00712%0.118CC..EExtended strand (participates in β ladder)trans-156.2116.1170.9-172.30000109V10 S11V10-C20 WeakPolarHBondContact CA-O 3.46Å; V10-C20 HydrophobicContact CB-CB 4.11Å; V10-C20 VanDerWaalsContact CB-O 3.31Å; V10-C20 WeakPolarHBondContact CB-O 3.4Å; V10-C20 HydrophobicContact CG1-CB 4.48Å; V10-C20 PolarHBondContact N-O 2.95Å; S11-C20 PolarHBondContact N-O 3.4Å; S11-C20 VanDerWaalsContact N-O 3.1Å; S11-C20 VanDerWaalsContact OG-CB 3.25Å; S11-C20 WeakPolarHBondContact OG-CB 3.45Å; S11-C20 PolarHBondContact OG-N 3.35Å
21Y96.8Very high91.6Very high0 Ų024.8 Ų24.80%012%0.117CC..EExtended strand (participates in β ladder)trans-130.5141.6-179.5-47-69.9000111.4A9 S11 G12 V13 L19 L31 L32 Y172 V565A9-Y21 HydrophobicContact CB-CD1 4.49Å; S11-Y21 WeakPolarHBondContact O-CE1 3.46Å; G12-Y21 PolarHBondContact O-OH 3.33Å; V13-Y21 HydrophobicContact CG2-CE1 3.72Å; L19-Y21 HydrophobicContact CB-CE2 3.98Å; L19-Y21 WeakPolarHBondContact CD2-OH 3.46Å; Y21-L31 CarbonylContact O-C 3.52Å; Y21-L31 WeakPolarHBondContact O-CA 3.44Å; Y21-L32 PolarHBondContact N-O 3Å; Y21-L32 PolarHBondContact O-N 3.36Å; Y21-Y172 AromaticContact CD2-CE2 3.73Å; Y21-Y172 HydrophobicContact CD2-CE2 3.73Å; Y21-Y172 HydrophobicContact CE2-CE2 4.01Å; Y21-Y172 WeakPolarHBondContact CE2-OH 3.44Å; Y21-V565 HydrophobicContact CD1-CG1 4.32Å; Y21-V565 HydrophobicContact CE1-CB 3.84Å; Y21-V565 HydrophobicContact CE1-CG1 3.88Å; Y21-V565 HydrophobicContact CE1-CG2 4.37Å; Y21-V565 HydrophobicContact CE2-CB 4.34Å; Y21-V565 HydrophobicContact CE2-CG2 3.96Å; Y21-V565 WeakPolarHBondContact OH-CB 3.3Å; Y21-V565 WeakPolarHBondContact OH-CG2 3.28Å
22L97Very high91.9Very high5 Ų524.7 Ų24.73%0.02612%0.117CC..EExtended strand (participates in β ladder)trans-106.2108.3174.7-174.373.7000109L7 T8 V10 R29 F30 L31 Y51 V55L7-L22 CarbonylContact C-O 3.49Å; L7-L22 WeakPolarHBondContact CA-O 3.49Å; T8-L22 PolarHBondContact N-O 3.35Å; T8-L22 PolarHBondContact O-N 2.95Å; V10-L22 HydrophobicContact CG2-CB 4.35Å; L22-R29 HydrophobicContact CD1-CB 4.14Å; L22-F30 CarbonylContact C-O 3.48Å; L22-F30 WeakPolarHBondContact CA-O 3.41Å; L22-L31 HydrophobicContact CD1-CD1 4.4Å; L22-Y51 HydrophobicContact CD2-CD1 3.54Å; L22-Y51 HydrophobicContact CD2-CE1 4.07Å; L22-Y51 HydrophobicContact CD2-CG 3.84Å; L22-V55 HydrophobicContact CD1-CG2 3.97Å
23L96.9Very high92.4Very high0 Ų024.7 Ų24.70%012%0.117CC..EExtended strand (participates in β ladder)trans-99.3113.1175.3175.969.4000109.5I5 L7 V25 F30 L32 I162 I170 I199I5-L23 HydrophobicContact CG2-CD1 4.03Å; L7-L23 HydrophobicContact CD1-CB 3.93Å; L7-L23 HydrophobicContact CD1-CD1 4.16Å; L23-V25 HydrophobicContact CD2-CG2 4.24Å; L23-V25 HydrophobicContact CG-CG2 4.09Å; L23-F30 HydrophobicContact CB-CB 4.3Å; L23-F30 HydrophobicContact CD2-CD2 4.45Å; L23-F30 PolarHBondContact N-O 3.41Å; L23-F30 PolarHBondContact O-N 3.25Å; L23-L32 HydrophobicContact CB-CD1 3.76Å; L23-L32 HydrophobicContact CB-CG 4.05Å; L23-L32 HydrophobicContact CD2-CD1 4.11Å; L23-I162 HydrophobicContact CD2-CD1 3.61Å; L23-I170 HydrophobicContact CD2-CG2 4.1Å; L23-I199 HydrophobicContact CD1-CD1 4.48Å
24Q94.9Very high92.6Very high48 Ų4824.4 Ų24.422%0.22412%0.115CC..EExtended strand (participates in β ladder)trans-93.5126.1171.2178178.6-7.200109.5I5 K6 D26 F28 R29I5-Q24 WeakPolarHBondContact CA-O 3.39Å; K6-Q24 HydrophobicContact CB-CB 4.27Å; K6-Q24 PolarHBondContact N-O 3.28Å; K6-Q24 PolarHBondContact O-N 2.8Å; Q24-D26 VanDerWaalsContact CG-O 3.27Å; Q24-D26 WeakPolarHBondContact CG-O 3.39Å; Q24-D26 PolarHBondContact NE2-O 2.88Å; Q24-F28 WeakPolarHBondContact CA-O 3.43Å; Q24-R29 HydrophobicContact CB-CG 4.35Å; Q24-R29 HydrophobicContact CG-CG 4.31Å
25V93.1Very high93.3Very high1 Ų120.6 Ų20.61%0.00610%0.097CC..EExtended strand (participates in β ladder)trans-122.3108.6169.3-171.40000107.5I4 L23 E27 F28 F30 L144 I170I4-V25 CarbonylContact O-C 3.53Å; I4-V25 WeakPolarHBondContact O-CA 3.38Å; L23-V25 HydrophobicContact CD2-CG2 4.24Å; L23-V25 HydrophobicContact CG-CG2 4.09Å; V25-E27 PolarHBondContact O-N 2.67Å; V25-F28 PolarHBondContact N-O 3.47Å; V25-F28 WeakPolarHBondContact O-CB 3.5Å; V25-F28 PolarHBondContact O-N 3.4Å; V25-F30 HydrophobicContact CG2-CD2 4.36Å; V25-F30 HydrophobicContact CG2-CE2 4.27Å; V25-L144 HydrophobicContact CB-CD1 4.47Å; V25-L144 HydrophobicContact CB-CD2 4.3Å; V25-L144 HydrophobicContact CG1-CD2 3.81Å; V25-I170 HydrophobicContact CG2-CD1 3.85Å
26D89.3Confident93.7Very high42 Ų4217.3 Ų17.323%0.2258%0.081CC..THydrogen-bonded Turntrans55.1-115.8-167.9-61.1-39.2000111.9S3 I4 Q24 K164S3-D26 WeakPolarHBondContact CA-OD1 3.48Å; S3-D26 WeakPolarHBondContact CB-OD1 3.43Å; S3-D26 WeakPolarHBondContact CB-OD2 3.01Å; S3-D26 PolarHBondContact OG-OD1 3.38Å; S3-D26 PolarHBondContact OG-OD2 2.92Å; I4-D26 PolarHBondContact N-OD1 3.02Å; I4-D26 PolarHBondContact O-N 2.95Å; Q24-D26 VanDerWaalsContact CG-O 3.27Å; Q24-D26 WeakPolarHBondContact CG-O 3.39Å; Q24-D26 PolarHBondContact NE2-O 2.88Å; D26-K164 IonicContact OD2-NZ 2.7Å
27E89.2Confident94Very high157 Ų15717 Ų1773%0.7348%0.08SC*.THydrogen-bonded Turntrans-93.7-10.2177.1-60.4-171.916400112.8V25V25-E27 PolarHBondContact O-N 2.67Å
28F94.4Very high94.2Very high13 Ų1317.8 Ų17.86%0.0578%0.083CC..EExtended strand (participates in β ladder)trans-90.9135.3-175.5-165.6-87.5000111.3Q24 V25 F30 D56 A57 L137 K140 G141 L144Q24-F28 WeakPolarHBondContact CA-O 3.43Å; V25-F28 PolarHBondContact N-O 3.47Å; V25-F28 WeakPolarHBondContact O-CB 3.5Å; V25-F28 PolarHBondContact O-N 3.4Å; F28-F30 HydrophobicContact CD1-CD1 4.3Å; F28-F30 AromaticContact CD1-CD2 3.83Å; F28-F30 HydrophobicContact CD1-CD2 3.83Å; F28-F30 HydrophobicContact CD1-CE1 4.03Å; F28-F30 AromaticContact CD1-CE2 3.52Å; F28-F30 HydrophobicContact CD1-CE2 3.52Å; F28-F30 HydrophobicContact CD1-CG 4.22Å; F28-F30 AromaticContact CD1-CZ 3.63Å; F28-F30 HydrophobicContact CD1-CZ 3.63Å; F28-F30 AromaticContact CE1-CD1 3.72Å; F28-F30 HydrophobicContact CE1-CD1 3.72Å; F28-F30 HydrophobicContact CE1-CD2 4.1Å; F28-F30 AromaticContact CE1-CE1 3.43Å; F28-F30 HydrophobicContact CE1-CE1 3.43Å; F28-F30 VanDerWaalsContact CE1-CE1 3.43Å; F28-F30 AromaticContact CE1-CE2 3.83Å; F28-F30 HydrophobicContact CE1-CE2 3.83Å; F28-F30 HydrophobicContact CE1-CG 4.05Å; F28-F30 AromaticContact CE1-CZ 3.49Å; F28-F30 HydrophobicContact CE1-CZ 3.49Å; F28-F30 VanDerWaalsContact CE1-CZ 3.49Å; F28-F30 HydrophobicContact CZ-CE1 4.38Å; F28-D56 HydrophobicContact CD1-CB 4.42Å; F28-D56 HydrophobicContact CD2-CB 3.78Å; F28-D56 HydrophobicContact CE1-CB 4.04Å; F28-D56 HydrophobicContact CE2-CB 3.38Å; F28-D56 HydrophobicContact CG-CB 4.3Å; F28-D56 HydrophobicContact CZ-CB 3.52Å; F28-A57 HydrophobicContact CE1-CB 3.91Å; F28-A57 HydrophobicContact CZ-CB 3.74Å; F28-L137 HydrophobicContact CD1-CD1 4.46Å; F28-L137 HydrophobicContact CE1-CD1 3.82Å; F28-L137 HydrophobicContact CE2-CD1 4.43Å; F28-L137 HydrophobicContact CZ-CD1 3.78Å; F28-K140 HydrophobicContact CD2-CB 4.18Å; F28-G141 VanDerWaalsContact CD2-N 3.34Å; F28-L144 HydrophobicContact CB-CD1 3.73Å; F28-L144 HydrophobicContact CD1-CD1 3.91Å; F28-L144 HydrophobicContact CG-CD1 3.82Å
29R95.9Very high94Very high55 Ų5522.1 Ų22.121%0.20811%0.106CC..EExtended strand (participates in β ladder)trans-121.1116.7-178.1-53.1-168.3-167.8-179.910.9112.5L22 Q24 Q54 D56 A57L22-R29 HydrophobicContact CD1-CB 4.14Å; Q24-R29 HydrophobicContact CB-CG 4.35Å; Q24-R29 HydrophobicContact CG-CG 4.31Å; R29-Q54 WeakPolarHBondContact CB-O 3.41Å; R29-Q54 WeakPolarHBondContact CD-O 3.41Å; R29-Q54 VanDerWaalsContact NH1-CD 3.3Å; R29-D56 PolarHBondContact N-OD2 3.5Å; R29-D56 PolarHBondContact O-N 3.45Å; R29-A57 PolarHBondContact O-N 3.4Å
30F97.3Very high93.9Very high0 Ų022.9 Ų22.90%011%0.109CC..EExtended strand (participates in β ladder)trans-88.7130.8169.2-62.8-82.9000110.4L22 L23 V25 F28 L32 A57 L59 L137 L144 I146 I162L22-F30 CarbonylContact C-O 3.48Å; L22-F30 WeakPolarHBondContact CA-O 3.41Å; L23-F30 HydrophobicContact CB-CB 4.3Å; L23-F30 HydrophobicContact CD2-CD2 4.45Å; L23-F30 PolarHBondContact N-O 3.41Å; L23-F30 PolarHBondContact O-N 3.25Å; V25-F30 HydrophobicContact CG2-CD2 4.36Å; V25-F30 HydrophobicContact CG2-CE2 4.27Å; F28-F30 HydrophobicContact CD1-CD1 4.3Å; F28-F30 AromaticContact CD1-CD2 3.83Å; F28-F30 HydrophobicContact CD1-CD2 3.83Å; F28-F30 HydrophobicContact CD1-CE1 4.03Å; F28-F30 AromaticContact CD1-CE2 3.52Å; F28-F30 HydrophobicContact CD1-CE2 3.52Å; F28-F30 HydrophobicContact CD1-CG 4.22Å; F28-F30 AromaticContact CD1-CZ 3.63Å; F28-F30 HydrophobicContact CD1-CZ 3.63Å; F28-F30 AromaticContact CE1-CD1 3.72Å; F28-F30 HydrophobicContact CE1-CD1 3.72Å; F28-F30 HydrophobicContact CE1-CD2 4.1Å; F28-F30 AromaticContact CE1-CE1 3.43Å; F28-F30 HydrophobicContact CE1-CE1 3.43Å; F28-F30 VanDerWaalsContact CE1-CE1 3.43Å; F28-F30 AromaticContact CE1-CE2 3.83Å; F28-F30 HydrophobicContact CE1-CE2 3.83Å; F28-F30 HydrophobicContact CE1-CG 4.05Å; F28-F30 AromaticContact CE1-CZ 3.49Å; F28-F30 HydrophobicContact CE1-CZ 3.49Å; F28-F30 VanDerWaalsContact CE1-CZ 3.49Å; F28-F30 HydrophobicContact CZ-CE1 4.38Å; F30-L32 HydrophobicContact CB-CD2 4.04Å; F30-A57 CarbonylContact C-O 3.6Å; F30-A57 WeakPolarHBondContact CA-O 3.47Å; F30-A57 HydrophobicContact CD1-CB 4.16Å; F30-A57 HydrophobicContact CE1-CB 4.4Å; F30-L59 HydrophobicContact CD1-CD1 3.85Å; F30-L59 HydrophobicContact CD1-CD2 4.31Å; F30-L59 HydrophobicContact CD1-CG 3.91Å; F30-L59 HydrophobicContact CE1-CD1 4.25Å; F30-L59 HydrophobicContact CE1-CG 4.5Å; F30-L59 HydrophobicContact CG-CD1 4.45Å; F30-L137 HydrophobicContact CE1-CD1 3.55Å; F30-L137 HydrophobicContact CZ-CD1 3.4Å; F30-L144 HydrophobicContact CE2-CD1 3.96Å; F30-L144 HydrophobicContact CZ-CD1 4.1Å; F30-I146 HydrophobicContact CE1-CG2 3.87Å; F30-I146 HydrophobicContact CZ-CG2 4.09Å; F30-I162 HydrophobicContact CD2-CD1 4.41Å; F30-I162 HydrophobicContact CE2-CG2 4.02Å; F30-I162 HydrophobicContact CZ-CG2 4.16Å
31L97.6Very high93.6Very high3 Ų324.4 Ų24.42%0.01612%0.12CC..EExtended strand (participates in β ladder)trans-90.1108.9159.4-168.470.8000107.8Y21 L22 C34 M48 V55 A57 V58 L59Y21-L31 CarbonylContact O-C 3.52Å; Y21-L31 WeakPolarHBondContact O-CA 3.44Å; L22-L31 HydrophobicContact CD1-CD1 4.4Å; L31-C34 HydrophobicContact CD2-CB 4.22Å; L31-M48 HydrophobicContact CD2-SD 4.45Å; L31-V55 HydrophobicContact CB-CG1 3.72Å; L31-V55 HydrophobicContact CB-CG2 4.13Å; L31-V55 HydrophobicContact CD1-CG2 4.46Å; L31-A57 PolarHBondContact N-O 3.07Å; L31-V58 HydrophobicContact CB-CG1 4.49Å; L31-V58 HydrophobicContact CB-CG2 4.12Å; L31-V58 HydrophobicContact CD2-CG2 4.18Å; L31-V58 CarbonylContact O-C 3.59Å; L31-V58 VanDerWaalsContact O-CA 3.31Å; L31-V58 WeakPolarHBondContact O-CA 3.5Å; L31-L59 PolarHBondContact O-N 3.13Å
32L97.8Very high93.3Very high0 Ų027.9 Ų27.90%014%0.137CC..EExtended strand (participates in β ladder)trans-88.1110.5175.8-51.1176000107.9L7 Y21 L23 F30 L59 I162 Y172 I199L7-L32 HydrophobicContact CD1-CD1 4.28Å; Y21-L32 PolarHBondContact N-O 3Å; Y21-L32 PolarHBondContact O-N 3.36Å; L23-L32 HydrophobicContact CB-CD1 3.76Å; L23-L32 HydrophobicContact CB-CG 4.05Å; L23-L32 HydrophobicContact CD2-CD1 4.11Å; F30-L32 HydrophobicContact CB-CD2 4.04Å; L32-L59 HydrophobicContact CD2-CB 4.1Å; L32-L59 HydrophobicContact CD2-CD1 3.76Å; L32-L59 HydrophobicContact CD2-CG 4.22Å; L32-I162 HydrophobicContact CD2-CD1 4.3Å; L32-Y172 HydrophobicContact CB-CD1 4.42Å; L32-Y172 HydrophobicContact CB-CD2 4.44Å; L32-Y172 HydrophobicContact CB-CE1 4.19Å; L32-Y172 HydrophobicContact CB-CE2 4.23Å; L32-Y172 HydrophobicContact CD1-CD2 3.7Å; L32-Y172 HydrophobicContact CD1-CE2 4.16Å; L32-Y172 HydrophobicContact CD1-CG 3.91Å; L32-I199 HydrophobicContact CD1-CD1 4.1Å
33D97.5Very high92.9Very high0 Ų033.5 Ų33.50%017%0.167CC..  trans56.4154-171.8-69.2-44.9000114.9L19 L59 L60 S61 H67 Y172L19-D33 HydrophobicContact CB-CB 4.23Å; D33-L59 PolarHBondContact N-O 3.22Å; D33-L60 WeakPolarHBondContact OD1-CA 3.23Å; D33-S61 PolarHBondContact OD1-N 2.88Å; D33-S61 PolarHBondContact OD1-OG 2.96Å; D33-S61 VanDerWaalsContact OD1-OG 3.14Å; D33-S61 VanDerWaalsContact OD2-CB 3.29Å; D33-S61 WeakPolarHBondContact OD2-CB 3.43Å; D33-S61 PolarHBondContact OD2-OG 3.11Å; D33-H67 WeakPolarHBondContact CB-O 3.27Å; D33-H67 IonicContact OD2-CD2 3.83Å; D33-H67 PolarHBondContact OD2-CD2 3.34Å; D33-Y172 WeakPolarHBondContact OD2-CE1 3.43Å; D33-Y172 PolarHBondContact OD2-OH 3.1Å
34C94Very high92.5Very high1 Ų134 Ų341%0.00717%0.17CC..  trans-140.661.7179.7-171.40000108.3L31 H67 L68 G69 A70L31-C34 HydrophobicContact CD2-CB 4.22Å; C34-H67 CarbonylContact C-O 3.55Å; C34-H67 VanDerWaalsContact C-O 3.27Å; C34-H67 PolarHBondContact N-O 2.88Å; C34-L68 CarbonylContact O-C 3.37Å; C34-L68 WeakPolarHBondContact O-CA 3.49Å; C34-G69 PolarHBondContact O-N 2.75Å; C34-A70 WeakPolarHBondContact O-CB 3.38Å; C34-A70 PolarHBondContact O-N 3.25Å
35G94.9Very high92.3Very high0 Ų031.9 Ų31.90%016%0.16CC..  trans-74.6157.1-178.500000113.9L19 P65 I66 H67 A70L19-G35 WeakPolarHBondContact O-CA 3.37Å; L19-G35 PolarHBondContact O-N 3.15Å; G35-P65 WeakPolarHBondContact CA-O 3.46Å; G35-I66 VanDerWaalsContact CA-O 3.22Å; G35-I66 WeakPolarHBondContact CA-O 3.39Å; G35-H67 PolarHBondContact N-O 2.87Å; G35-A70 WeakPolarHBondContact O-CB 3.46Å
36W94.1Very high92.2Very high2 Ų236.3 Ų36.31%0.00818%0.184CC..  trans-129.8142.1165.7-142.3-15000109.7F40 S41 M42 I45 P65 A70 Y73 L113 F114W36-F40 HydrophobicContact CB-CD1 4.22Å; W36-F40 HydrophobicContact CD2-CB 4.2Å; W36-F40 AromaticContact CD2-CD1 3.46Å; W36-F40 HydrophobicContact CD2-CD1 3.46Å; W36-F40 VanDerWaalsContact CD2-CD1 3.46Å; W36-F40 HydrophobicContact CD2-CE1 4.3Å; W36-F40 HydrophobicContact CD2-CG 4.29Å; W36-F40 AromaticContact CE2-CD1 3.9Å; W36-F40 AromaticContact CE3-CD1 3.57Å; W36-F40 HydrophobicContact CE3-CD1 3.57Å; W36-F40 HydrophobicContact CE3-CE1 4.07Å; W36-F40 AromaticContact CG-CD1 3.76Å; W36-F40 HydrophobicContact CG-CD1 3.76Å; W36-F40 HydrophobicContact CH2-CB 4.38Å; W36-F40 HydrophobicContact CH2-CD1 4.48Å; W36-F40 HydrophobicContact CZ2-CB 3.8Å; W36-F40 HydrophobicContact CZ2-CD1 4.39Å; W36-F40 HydrophobicContact CZ2-CG 4.5Å; W36-F40 HydrophobicContact CZ3-CD1 4.1Å; W36-F40 VanDerWaalsContact NE1-CA 3.32Å; W36-S41 PolarHBondContact NE1-O 3.1Å; W36-M42 HydrophobicContact CH2-CE 4.2Å; W36-M42 HydrophobicContact CZ2-CE 3.96Å; W36-M42 HydrophobicContact CZ2-SD 4.19Å; W36-I45 HydrophobicContact CD2-CD1 4.22Å; W36-I45 HydrophobicContact CH2-CD1 4.27Å; W36-I45 HydrophobicContact CH2-CG1 4.19Å; W36-I45 HydrophobicContact CZ2-CD1 3.93Å; W36-I45 HydrophobicContact CZ2-CG1 3.54Å; W36-P65 PolarHBondContact N-O 3.43Å; W36-A70 HydrophobicContact CB-CB 4Å; W36-A70 HydrophobicContact CD2-CB 4.25Å; W36-A70 HydrophobicContact CE3-CB 4.29Å; W36-A70 HydrophobicContact CG-CB 4.16Å; W36-Y73 AromaticContact CH2-CD2 3.93Å; W36-Y73 HydrophobicContact CH2-CD2 3.93Å; W36-Y73 HydrophobicContact CH2-CE2 4.45Å; W36-Y73 HydrophobicContact CH2-CG 4.05Å; W36-Y73 HydrophobicContact CZ3-CD2 4.15Å; W36-Y73 HydrophobicContact CZ3-CG 4.06Å; W36-L113 HydrophobicContact CH2-CB 4.15Å; W36-L113 HydrophobicContact CH2-CD1 3.79Å; W36-L113 HydrophobicContact CH2-CG 4.43Å; W36-L113 HydrophobicContact CZ2-CD1 4.22Å; W36-L113 HydrophobicContact CZ3-CB 4.4Å; W36-L113 HydrophobicContact CZ3-CD1 4.31Å; W36-F114 HydrophobicContact CZ3-CD1 4.25Å
37D89.8Confident92.1Very high15 Ų1534.5 Ų34.58%0.0817%0.174CC..  trans-70.4159.617564.1-41.3000110.7N39 F40 S41 I44D37-N39 PolarHBondContact O-N 3.03Å; D37-N39 VanDerWaalsContact O-N 3.11Å; D37-F40 PolarHBondContact O-N 2.88Å; D37-F40 WeakPolarHBondContact OD1-CA 3.31Å; D37-F40 PolarHBondContact OD1-N 2.94Å; D37-S41 PolarHBondContact OD1-N 3.48Å; D37-S41 WeakPolarHBondContact OD2-CB 3.49Å; D37-S41 PolarHBondContact OD2-N 3.04Å; D37-I44 HydrophobicContact CB-CD1 4.45Å
38E88.2Confident92.1Very high30 Ų3027.1 Ų27.114%0.1414%0.14CC..THydrogen-bonded Turntrans-61.6-23.2-178.1-61.990.6149.500111.9R105 D332 T360 T363E38-R105 PolarHBondContact O-NH2 2.95Å; E38-D332 HydrophobicContact CG-CB 4.26Å; E38-D332 WeakPolarHBondContact CG-OD2 3.47Å; E38-T360 VanDerWaalsContact CD-OG1 3.28Å; E38-T360 PolarHBondContact OE1-N 3.44Å; E38-T360 PolarHBondContact OE1-OG1 3.41Å; E38-T360 WeakPolarHBondContact OE2-CB 3.46Å; E38-T360 PolarHBondContact OE2-OG1 2.95Å; E38-T363 HydrophobicContact CB-CG2 4.11Å; E38-T363 HydrophobicContact CG-CG2 4.42Å
39N86.6Confident92Very high92 Ų9232.4 Ų32.449%0.49216%0.163SC..THydrogen-bonded Turntrans-91.5-1.6177.3-67.3-20.6000113.8D37D37-N39 PolarHBondContact O-N 3.03Å; D37-N39 VanDerWaalsContact O-N 3.11Å
40F90.2Very high91.7Very high15 Ų1536.9 Ų36.97%0.06618%0.18CC..  trans51.451.8-175.9-55.2-64000114W36 D37 M42 L101 R105 F111 L113 F114W36-F40 HydrophobicContact CB-CD1 4.22Å; W36-F40 HydrophobicContact CD2-CB 4.2Å; W36-F40 AromaticContact CD2-CD1 3.46Å; W36-F40 HydrophobicContact CD2-CD1 3.46Å; W36-F40 VanDerWaalsContact CD2-CD1 3.46Å; W36-F40 HydrophobicContact CD2-CE1 4.3Å; W36-F40 HydrophobicContact CD2-CG 4.29Å; W36-F40 AromaticContact CE2-CD1 3.9Å; W36-F40 AromaticContact CE3-CD1 3.57Å; W36-F40 HydrophobicContact CE3-CD1 3.57Å; W36-F40 HydrophobicContact CE3-CE1 4.07Å; W36-F40 AromaticContact CG-CD1 3.76Å; W36-F40 HydrophobicContact CG-CD1 3.76Å; W36-F40 HydrophobicContact CH2-CB 4.38Å; W36-F40 HydrophobicContact CH2-CD1 4.48Å; W36-F40 HydrophobicContact CZ2-CB 3.8Å; W36-F40 HydrophobicContact CZ2-CD1 4.39Å; W36-F40 HydrophobicContact CZ2-CG 4.5Å; W36-F40 HydrophobicContact CZ3-CD1 4.1Å; W36-F40 VanDerWaalsContact NE1-CA 3.32Å; D37-F40 PolarHBondContact O-N 2.88Å; D37-F40 WeakPolarHBondContact OD1-CA 3.31Å; D37-F40 PolarHBondContact OD1-N 2.94Å; F40-M42 PolarHBondContact O-N 3.37Å; F40-L101 HydrophobicContact CE1-CD2 4Å; F40-L101 HydrophobicContact CZ-CD1 4.02Å; F40-L101 HydrophobicContact CZ-CD2 3.82Å; F40-L101 HydrophobicContact CZ-CG 4Å; F40-R105 VanDerWaalsContact CE2-CD 3.44Å; F40-F111 AromaticContact CD2-CE2 3.9Å; F40-F111 HydrophobicContact CD2-CE2 3.9Å; F40-F111 HydrophobicContact CD2-CZ 4.47Å; F40-F111 HydrophobicContact CE2-CD2 4.45Å; F40-F111 AromaticContact CE2-CE2 3.39Å; F40-F111 HydrophobicContact CE2-CE2 3.39Å; F40-F111 AromaticContact CE2-CZ 3.81Å; F40-F111 HydrophobicContact CE2-CZ 3.81Å; F40-F111 AromaticContact CZ-CE2 3.97Å; F40-F111 HydrophobicContact CZ-CE2 3.97Å; F40-F111 AromaticContact CZ-CZ 3.88Å; F40-F111 HydrophobicContact CZ-CZ 3.88Å; F40-L113 HydrophobicContact CB-CD1 3.48Å; F40-L113 VanDerWaalsContact CB-CD1 3.48Å; F40-L113 HydrophobicContact CD1-CD1 4.27Å; F40-L113 HydrophobicContact CD2-CD1 3.66Å; F40-L113 HydrophobicContact CE2-CD1 4.34Å; F40-L113 HydrophobicContact CG-CD1 3.57Å; F40-F114 HydrophobicContact CE1-CE1 4.34Å; F40-F114 HydrophobicContact CZ-CE1 4.44Å
41S89.6Confident91.3Very high34 Ų3439.2 Ų39.224%0.23819%0.189CC..  trans-57.6127.5175.1-1800000110.9W36 D37 D43W36-S41 PolarHBondContact NE1-O 3.1Å; D37-S41 PolarHBondContact OD1-N 3.48Å; D37-S41 WeakPolarHBondContact OD2-CB 3.49Å; D37-S41 PolarHBondContact OD2-N 3.04Å; S41-D43 PolarHBondContact O-N 3.35Å; S41-D43 WeakPolarHBondContact OG-CB 3.01Å; S41-D43 PolarHBondContact OG-N 2.77Å; S41-D43 PolarHBondContact OG-OD2 2.73Å
42M90.3Very high91.1Very high72 Ų7239.4 Ų39.436%0.35519%0.191SC..Hα-helixtrans-72.7-12.6176.2-70.7-67.6167.800112.5W36 F40 I44 I45 D46 L113W36-M42 HydrophobicContact CH2-CE 4.2Å; W36-M42 HydrophobicContact CZ2-CE 3.96Å; W36-M42 HydrophobicContact CZ2-SD 4.19Å; F40-M42 PolarHBondContact O-N 3.37Å; M42-I44 VanDerWaalsContact C-N 3.27Å; M42-I44 PolarHBondContact O-N 2.73Å; M42-I45 WeakPolarHBondContact O-CB 3.31Å; M42-I45 PolarHBondContact O-N 3.07Å; M42-I45 VanDerWaalsContact O-N 3.14Å; M42-I45 HydrophobicContact SD-CB 4.27Å; M42-I45 HydrophobicContact SD-CG1 4.16Å; M42-I45 HydrophobicContact SD-CG2 4.45Å; M42-D46 WeakPolarHBondContact O-CB 3.46Å; M42-D46 PolarHBondContact O-N 2.89Å; M42-L113 HydrophobicContact CE-CD2 3.49Å; M42-L113 VanDerWaalsContact CE-CD2 3.49Å
43D88.8Confident90.7Very high124 Ų12447 Ų4766%0.66323%0.226SC*.Hα-helixtrans-61-38.6178.5-63.1-35.2000111.5S41 A47S41-D43 PolarHBondContact O-N 3.35Å; S41-D43 WeakPolarHBondContact OG-CB 3.01Å; S41-D43 PolarHBondContact OG-N 2.77Å; S41-D43 PolarHBondContact OG-OD2 2.73Å; D43-A47 WeakPolarHBondContact O-CB 3.25Å; D43-A47 PolarHBondContact O-N 3.32Å
44I88.3Confident90.5Very high11 Ų1150.9 Ų50.96%0.05624%0.244CC..Hα-helixtrans-65.2-44.8176.5-58.9177.9000109.9A18 D37 M42 A47 M48A18-I44 HydrophobicContact CB-CD1 4.24Å; D37-I44 HydrophobicContact CB-CD1 4.45Å; M42-I44 VanDerWaalsContact C-N 3.27Å; M42-I44 PolarHBondContact O-N 2.73Å; I44-A47 PolarHBondContact O-N 3.03Å; I44-M48 VanDerWaalsContact O-CB 3.32Å; I44-M48 WeakPolarHBondContact O-CB 3.26Å; I44-M48 PolarHBondContact O-N 2.96Å
45I90.9Very high90.6Very high3 Ų351.4 Ų51.42%0.01525%0.247CC..Hα-helixtrans-64.3-45.9179.8-61.1-54.2000111.2W36 M42 A47 M48 K49 A70 Y73 L78W36-I45 HydrophobicContact CD2-CD1 4.22Å; W36-I45 HydrophobicContact CH2-CD1 4.27Å; W36-I45 HydrophobicContact CH2-CG1 4.19Å; W36-I45 HydrophobicContact CZ2-CD1 3.93Å; W36-I45 HydrophobicContact CZ2-CG1 3.54Å; M42-I45 WeakPolarHBondContact O-CB 3.31Å; M42-I45 PolarHBondContact O-N 3.07Å; M42-I45 VanDerWaalsContact O-N 3.14Å; M42-I45 HydrophobicContact SD-CB 4.27Å; M42-I45 HydrophobicContact SD-CG1 4.16Å; M42-I45 HydrophobicContact SD-CG2 4.45Å; I45-A47 VanDerWaalsContact C-N 3.33Å; I45-A47 PolarHBondContact O-N 3.33Å; I45-M48 HydrophobicContact CD1-CE 3.74Å; I45-M48 PolarHBondContact O-N 2.66Å; I45-K49 WeakPolarHBondContact O-CB 3.42Å; I45-K49 PolarHBondContact O-N 3.22Å; I45-A70 HydrophobicContact CD1-CB 3.97Å; I45-Y73 HydrophobicContact CD1-CD1 3.91Å; I45-Y73 HydrophobicContact CD1-CE1 4.44Å; I45-Y73 HydrophobicContact CG1-CD1 4.35Å; I45-Y73 HydrophobicContact CG1-CE1 4.42Å; I45-Y73 HydrophobicContact CG2-CD1 3.92Å; I45-Y73 HydrophobicContact CG2-CE1 3.38Å; I45-L78 HydrophobicContact CG2-CD1 4.21Å; I45-L78 HydrophobicContact CG2-CD2 4.38Å
46D90.8Very high90.7Very high93 Ų9353.4 Ų53.450%0.49726%0.257SS..Hα-helixtrans-66-35.6179.2-79.2-21.2000112.1M42M42-D46 WeakPolarHBondContact O-CB 3.46Å; M42-D46 PolarHBondContact O-N 2.89Å
47A89.1Confident90.8Very high4 Ų453.4 Ų53.43%0.03326%0.258CS..Hα-helixtrans-67.3-46.6172.600000111.4V10 D43 I44 I45 K49 R50 Y51V10-A47 HydrophobicContact CG1-CB 3.72Å; D43-A47 WeakPolarHBondContact O-CB 3.25Å; D43-A47 PolarHBondContact O-N 3.32Å; I44-A47 PolarHBondContact O-N 3.03Å; I45-A47 VanDerWaalsContact C-N 3.33Å; I45-A47 PolarHBondContact O-N 3.33Å; A47-K49 PolarHBondContact O-N 2.88Å; A47-R50 PolarHBondContact O-N 3.4Å; A47-Y51 WeakPolarHBondContact O-CD2 3.3Å
48M89.2Confident91.2Very high3 Ų352.7 Ų52.72%0.01525%0.254CS..Hα-helixtrans-63.6-40.5179.3179.1177.747.900112V10 L31 I44 I45 R50 Y51 V52 A70 A74 L78V10-M48 HydrophobicContact CG1-CB 4.39Å; L31-M48 HydrophobicContact CD2-SD 4.45Å; I44-M48 VanDerWaalsContact O-CB 3.32Å; I44-M48 WeakPolarHBondContact O-CB 3.26Å; I44-M48 PolarHBondContact O-N 2.96Å; I45-M48 HydrophobicContact CD1-CE 3.74Å; I45-M48 PolarHBondContact O-N 2.66Å; M48-R50 PolarHBondContact O-N 3.47Å; M48-Y51 PolarHBondContact O-N 2.91Å; M48-V52 HydrophobicContact CG-CG2 3.89Å; M48-V52 WeakPolarHBondContact O-CG2 3.21Å; M48-V52 PolarHBondContact O-N 2.74Å; M48-V52 VanDerWaalsContact O-N 3.13Å; M48-A70 HydrophobicContact CE-CB 4.33Å; M48-A74 HydrophobicContact CE-CB 3.91Å; M48-A74 HydrophobicContact SD-CB 4.1Å; M48-L78 HydrophobicContact CE-CD1 3.51Å
49K91Very high91.7Very high123 Ų12351.2 Ų51.254%0.53525%0.247SC..Hα-helixtrans-51.8-30.3-178.3-174.7174.7-179177.20113.7I45 A47 Y51 L78I45-K49 WeakPolarHBondContact O-CB 3.42Å; I45-K49 PolarHBondContact O-N 3.22Å; A47-K49 PolarHBondContact O-N 2.88Å; K49-Y51 VanDerWaalsContact C-N 3.25Å; K49-Y51 PolarHBondContact O-N 3.37Å; K49-L78 HydrophobicContact CD-CD2 4.37Å; K49-L78 HydrophobicContact CG-CD2 4.32Å
50R89.8Confident92.3Very high149 Ų14946.9 Ų46.956%0.56222%0.224SC*.THydrogen-bonded Turntrans-66.2-27.6176.9-58.3179.2-172.9174.73.7113.1A47 M48 Q54A47-R50 PolarHBondContact O-N 3.4Å; M48-R50 PolarHBondContact O-N 3.47Å; R50-Q54 PolarHBondContact O-NE2 3.43Å; R50-Q54 VanDerWaalsContact O-NE2 3.07Å
51Y89.8Confident92.6Very high50 Ų5046.1 Ų46.120%0.19622%0.221CC..THydrogen-bonded Turntrans-108.8-18.3-171.9-57.8-69.2000113.8V10 L22 A47 M48 K49 H53 Q54 V55V10-Y51 HydrophobicContact CG2-CD2 4.29Å; V10-Y51 HydrophobicContact CG2-CE2 4.43Å; L22-Y51 HydrophobicContact CD2-CD1 3.54Å; L22-Y51 HydrophobicContact CD2-CE1 4.07Å; L22-Y51 HydrophobicContact CD2-CG 3.84Å; A47-Y51 WeakPolarHBondContact O-CD2 3.3Å; M48-Y51 PolarHBondContact O-N 2.91Å; K49-Y51 VanDerWaalsContact C-N 3.25Å; K49-Y51 PolarHBondContact O-N 3.37Å; Y51-H53 VanDerWaalsContact C-N 3.26Å; Y51-H53 PolarHBondContact O-N 3.43Å; Y51-H53 VanDerWaalsContact O-N 3.08Å; Y51-Q54 WeakPolarHBondContact O-CA 3.08Å; Y51-Q54 WeakPolarHBondContact O-CB 3.42Å; Y51-Q54 PolarHBondContact O-N 3.15Å; Y51-V55 PolarHBondContact O-N 2.97Å
52V91.8Very high93Very high7 Ų744.5 Ų44.54%0.04221%0.209CC..G310 helixtrans-46.1-45.2-175.9170.70000113.6M48 Q54 V55 L78 L80M48-V52 HydrophobicContact CG-CG2 3.89Å; M48-V52 WeakPolarHBondContact O-CG2 3.21Å; M48-V52 PolarHBondContact O-N 2.74Å; M48-V52 VanDerWaalsContact O-N 3.13Å; V52-Q54 PolarHBondContact O-N 2.93Å; V52-V55 PolarHBondContact O-N 3.15Å; V52-L78 HydrophobicContact CG1-CB 4.29Å; V52-L78 HydrophobicContact CG2-CB 4.1Å; V52-L78 HydrophobicContact CG2-CD1 3.97Å; V52-L80 HydrophobicContact CG1-CB 4.03Å; V52-L80 HydrophobicContact CG1-CD1 3.98Å
53H91.3Very high93.4Very high160 Ų16041.1 Ų41.174%0.74119%0.193SC*.G310 helixtrans-73.5-11.2-178.8-55.5-52.2000114.7Y51Y51-H53 VanDerWaalsContact C-N 3.26Å; Y51-H53 PolarHBondContact O-N 3.43Å; Y51-H53 VanDerWaalsContact O-N 3.08Å
54Q92.6Very high93.7Very high80 Ų8035.5 Ų35.537%0.37416%0.163SC..G310 helixtrans-104.7-5.5-177.1-58173.771.600111.9R29 R50 Y51 V52R29-Q54 WeakPolarHBondContact CB-O 3.41Å; R29-Q54 WeakPolarHBondContact CD-O 3.41Å; R29-Q54 VanDerWaalsContact NH1-CD 3.3Å; R50-Q54 PolarHBondContact O-NE2 3.43Å; R50-Q54 VanDerWaalsContact O-NE2 3.07Å; Y51-Q54 WeakPolarHBondContact O-CA 3.08Å; Y51-Q54 WeakPolarHBondContact O-CB 3.42Å; Y51-Q54 PolarHBondContact O-N 3.15Å; V52-Q54 PolarHBondContact O-N 2.93Å
55V96Very high94.1Very high13 Ų1336.3 Ų36.38%0.07917%0.169CC..  trans-81.2126.2-179.9176.20000109.6L22 L31 Y51 V52 A57 V58 L80L22-V55 HydrophobicContact CD1-CG2 3.97Å; L31-V55 HydrophobicContact CB-CG1 3.72Å; L31-V55 HydrophobicContact CB-CG2 4.13Å; L31-V55 HydrophobicContact CD1-CG2 4.46Å; Y51-V55 PolarHBondContact O-N 2.97Å; V52-V55 PolarHBondContact O-N 3.15Å; V55-A57 WeakPolarHBondContact CG1-O 3.34Å; V55-V58 HydrophobicContact CG1-CG2 4.24Å; V55-L80 HydrophobicContact CB-CD1 4.07Å; V55-L80 HydrophobicContact CG1-CD1 4.24Å
56D96Very high94.3Very high41 Ų4137 Ų3722%0.21917%0.172CC..  trans-98.2-28179-56.8-71.8000112.4F28 R29 C82 K140F28-D56 HydrophobicContact CD1-CB 4.42Å; F28-D56 HydrophobicContact CD2-CB 3.78Å; F28-D56 HydrophobicContact CE1-CB 4.04Å; F28-D56 HydrophobicContact CE2-CB 3.38Å; F28-D56 HydrophobicContact CG-CB 4.3Å; F28-D56 HydrophobicContact CZ-CB 3.52Å; R29-D56 PolarHBondContact N-OD2 3.5Å; R29-D56 PolarHBondContact O-N 3.45Å; D56-C82 VanDerWaalsContact O-CB 3.31Å; D56-C82 WeakPolarHBondContact O-CB 3.48Å; D56-K140 IonicContact OD1-NZ 3.44Å; D56-K140 PolarHBondContact OD1-NZ 3.05Å
57A96.9Very high94.6Very high2 Ų232.6 Ų32.62%0.01715%0.149CC..EExtended strand (participates in β ladder)trans-152152.5173.400000112.3F28 R29 F30 L31 V55 T83 Y85F28-A57 HydrophobicContact CE1-CB 3.91Å; F28-A57 HydrophobicContact CZ-CB 3.74Å; R29-A57 PolarHBondContact O-N 3.4Å; F30-A57 CarbonylContact C-O 3.6Å; F30-A57 WeakPolarHBondContact CA-O 3.47Å; F30-A57 HydrophobicContact CD1-CB 4.16Å; F30-A57 HydrophobicContact CE1-CB 4.4Å; L31-A57 PolarHBondContact N-O 3.07Å; V55-A57 WeakPolarHBondContact CG1-O 3.34Å; A57-T83 WeakPolarHBondContact CA-O 3.19Å; A57-Y85 HydrophobicContact CB-CD2 4.26Å; A57-Y85 HydrophobicContact CB-CE2 3.93Å
58V98.1Very high94.9Very high0 Ų032.4 Ų32.40%015%0.147CC..EExtended strand (participates in β ladder)trans-111.2136172.2-176.80000109.3L31 V55 L60 L80 T83 I84 Y85L31-V58 HydrophobicContact CB-CG1 4.49Å; L31-V58 HydrophobicContact CB-CG2 4.12Å; L31-V58 HydrophobicContact CD2-CG2 4.18Å; L31-V58 CarbonylContact O-C 3.59Å; L31-V58 VanDerWaalsContact O-CA 3.31Å; L31-V58 WeakPolarHBondContact O-CA 3.5Å; V55-V58 HydrophobicContact CG1-CG2 4.24Å; V58-L60 HydrophobicContact CG1-CD2 3.84Å; V58-L60 HydrophobicContact CG1-CG 4.31Å; V58-L80 HydrophobicContact CG2-CD2 3.88Å; V58-T83 PolarHBondContact N-O 3.17Å; V58-I84 HydrophobicContact CB-CB 4.27Å; V58-I84 HydrophobicContact CB-CG1 3.95Å; V58-I84 HydrophobicContact CB-CG2 4.07Å; V58-I84 HydrophobicContact CG1-CG2 4.21Å; V58-I84 HydrophobicContact CG2-CG1 4.05Å; V58-Y85 PolarHBondContact O-N 2.97Å
59L98.5Very high95.2Very high0 Ų032.2 Ų32.20%015%0.146CC..EExtended strand (participates in β ladder)trans-114116.9171.6-57.3-174.7000108.7F30 L31 L32 D33 Y85 I146 W160 I162F30-L59 HydrophobicContact CD1-CD1 3.85Å; F30-L59 HydrophobicContact CD1-CD2 4.31Å; F30-L59 HydrophobicContact CD1-CG 3.91Å; F30-L59 HydrophobicContact CE1-CD1 4.25Å; F30-L59 HydrophobicContact CE1-CG 4.5Å; F30-L59 HydrophobicContact CG-CD1 4.45Å; L31-L59 PolarHBondContact O-N 3.13Å; L32-L59 HydrophobicContact CD2-CB 4.1Å; L32-L59 HydrophobicContact CD2-CD1 3.76Å; L32-L59 HydrophobicContact CD2-CG 4.22Å; D33-L59 PolarHBondContact N-O 3.22Å; L59-Y85 HydrophobicContact CD2-CD2 3.86Å; L59-Y85 HydrophobicContact CD2-CG 4.18Å; L59-I146 HydrophobicContact CD1-CG2 4.38Å; L59-I146 HydrophobicContact CD2-CD1 3.76Å; L59-I146 HydrophobicContact CD2-CG2 4.45Å; L59-W160 HydrophobicContact CB-CD2 4.05Å; L59-W160 HydrophobicContact CB-CG 4.17Å; L59-W160 HydrophobicContact CB-CZ2 4.29Å; L59-W160 HydrophobicContact CD1-CB 4.22Å; L59-W160 HydrophobicContact CD1-CD2 4.02Å; L59-W160 HydrophobicContact CD1-CE3 4.19Å; L59-W160 HydrophobicContact CD1-CG 4.04Å; L59-W160 HydrophobicContact CD2-CD2 4.34Å; L59-W160 HydrophobicContact CD2-CE3 4.19Å; L59-W160 HydrophobicContact CD2-CH2 4.22Å; L59-W160 HydrophobicContact CD2-CZ2 4.38Å; L59-W160 HydrophobicContact CD2-CZ3 4.13Å; L59-W160 HydrophobicContact CG-CD2 4.37Å; L59-I162 HydrophobicContact CD1-CD1 3.81Å; L59-I162 HydrophobicContact CD1-CG1 4.17Å
60L98.6Very high95.5Very high0 Ų026.4 Ų26.40%012%0.121CC..  trans-97.3134.4176.7-58.8177.7000110.5D33 V58 L68 L71 I84 Y85 A86 V90 I126 T158 W160D33-L60 WeakPolarHBondContact OD1-CA 3.23Å; V58-L60 HydrophobicContact CG1-CD2 3.84Å; V58-L60 HydrophobicContact CG1-CG 4.31Å; L60-L68 HydrophobicContact CD1-CB 4.21Å; L60-L68 HydrophobicContact CD1-CD2 4.34Å; L60-L68 HydrophobicContact CD2-CB 4.01Å; L60-L71 HydrophobicContact CD1-CD2 3.84Å; L60-I84 HydrophobicContact CD1-CG2 3.73Å; L60-I84 HydrophobicContact CG-CG2 3.9Å; L60-Y85 PolarHBondContact N-O 3.09Å; L60-A86 HydrophobicContact CB-CB 4.04Å; L60-A86 HydrophobicContact CD1-CB 4.19Å; L60-V90 HydrophobicContact CB-CG1 4.12Å; L60-I126 HydrophobicContact CD1-CD1 4.06Å; L60-T158 PolarHBondContact O-OG1 3.28Å; L60-W160 WeakPolarHBondContact O-CZ2 3.32Å; L60-W160 PolarHBondContact O-NE1 2.85Å
61S97.8Very high95.8Very high0 Ų019.3 Ų19.30%09%0.094CC..  trans-95.9-46.5-176.866.80000113.6D33 H67 G157 T158D33-S61 PolarHBondContact OD1-N 2.88Å; D33-S61 PolarHBondContact OD1-OG 2.96Å; D33-S61 VanDerWaalsContact OD1-OG 3.14Å; D33-S61 VanDerWaalsContact OD2-CB 3.29Å; D33-S61 WeakPolarHBondContact OD2-CB 3.43Å; D33-S61 PolarHBondContact OD2-OG 3.11Å; S61-H67 PolarHBondContact OG-CD2 3.28Å; S61-G157 CarbonylContact O-C 3.59Å; S61-G157 WeakPolarHBondContact O-CA 3.23Å; S61-T158 WeakPolarHBondContact CA-OG1 3.42Å; S61-T158 PolarHBondContact O-N 2.96Å; S61-T158 PolarHBondContact O-OG1 2.77Å
62H97.9Very high96.1Very high0 Ų017 Ų170%09%0.085CC..  trans-134.7157.7-173.7-63.195.8000111.9D64 H67 L68 H153 V174H62-D64 VanDerWaalsContact C-N 3.32Å; H62-D64 WeakPolarHBondContact CB-OD1 3.44Å; H62-D64 PolarHBondContact O-N 3.48Å; H62-H67 HydrophobicContact CB-CB 4.17Å; H62-H67 AromaticContact CG-CE1 3.93Å; H62-H67 AromaticContact ND1-CD2 3.75Å; H62-H67 AromaticContact ND1-CE1 3.59Å; H62-H67 AromaticContact ND1-NE2 3.34Å; H62-H67 PolarHBondContact ND1-NE2 2.83Å; H62-L68 WeakPolarHBondContact O-CD2 3.19Å; H62-H153 AromaticContact CD2-CD2 3.75Å; H62-H153 AromaticContact NE2-CD2 3.92Å; H62-V174 PolarHBondContact CE1-O 3.32Å
63P97.5Very high96.3Very high0 Ų018.8 Ų18.80%09%0.092CC..SBendtrans-78.2-5.9-17429.3-33.6000115.3M93 G94 F97 M154P63-M93 HydrophobicContact CB-CB 3.89Å; P63-M93 HydrophobicContact CG-CB 4.35Å; P63-G94 VanDerWaalsContact O-CA 3.25Å; P63-G94 WeakPolarHBondContact O-CA 3.25Å; P63-F97 HydrophobicContact CB-CD2 3.98Å; P63-F97 HydrophobicContact CB-CE2 4.02Å; P63-F97 HydrophobicContact CG-CD2 4.47Å; P63-F97 HydrophobicContact CG-CE2 3.99Å; P63-F97 WeakPolarHBondContact O-CD2 3.44Å; P63-F97 WeakPolarHBondContact O-CG 3.23Å; P63-M154 HydrophobicContact CG-CB 4.07Å; P63-M154 HydrophobicContact CG-SD 3.89Å
64D96.4Very high96.5Very high6 Ų611.2 Ų11.23%0.0326%0.056CC..SBendtrans-90.6161.8-169.960-24000113.8H62 I66 H67 L68 F97 M154H62-D64 VanDerWaalsContact C-N 3.32Å; H62-D64 WeakPolarHBondContact CB-OD1 3.44Å; H62-D64 PolarHBondContact O-N 3.48Å; D64-I66 PolarHBondContact O-N 3.01Å; D64-I66 VanDerWaalsContact O-N 3.16Å; D64-I66 WeakPolarHBondContact OD2-CD1 3.1Å; D64-I66 WeakPolarHBondContact OD2-CG1 3.34Å; D64-H67 PolarHBondContact O-N 2.83Å; D64-H67 IonicContact OD1-CE1 3.64Å; D64-H67 IonicContact OD1-CG 2.77Å; D64-H67 IonicContact OD1-ND1 3.57Å; D64-H67 PolarHBondContact OD1-ND1 3.11Å; D64-H67 IonicContact OD2-ND1 3.36Å; D64-L68 PolarHBondContact O-N 3.24Å; D64-F97 HydrophobicContact CB-CD1 4.42Å; D64-F97 HydrophobicContact CB-CE1 4.01Å; D64-F97 HydrophobicContact CB-CE2 4.42Å; D64-F97 HydrophobicContact CB-CZ 4Å; D64-M154 HydrophobicContact CB-CE 3.83Å; D64-M154 HydrophobicContact CB-SD 3.99Å; D64-M154 VanDerWaalsContact OD2-CE 3.28Å; D64-M154 WeakPolarHBondContact OD2-CE 3.32Å
65P95.9Very high96.5Very high29 Ų298 Ų819%0.1884%0.042CC..Hα-helixtrans-60.3-28.4-173.7-27.236.9000114.8G35 W36 H67 G69 F97 L101G35-P65 WeakPolarHBondContact CA-O 3.46Å; W36-P65 PolarHBondContact N-O 3.43Å; P65-H67 PolarHBondContact O-N 2.85Å; P65-G69 WeakPolarHBondContact O-CA 3.28Å; P65-G69 PolarHBondContact O-N 3.15Å; P65-F97 HydrophobicContact CG-CD1 4.34Å; P65-L101 HydrophobicContact CB-CD2 4.09Å; P65-L101 HydrophobicContact CG-CD2 3.99Å
66I95Very high96.3Very high17 Ų179.1 Ų9.19%0.0876%0.056CC..Hα-helixtrans-68.6-14.1177.355.7153.9000113.5L19 G35 D64L19-I66 PolarHBondContact N-O 2.8Å; G35-I66 VanDerWaalsContact CA-O 3.22Å; G35-I66 WeakPolarHBondContact CA-O 3.39Å; D64-I66 PolarHBondContact O-N 3.01Å; D64-I66 VanDerWaalsContact O-N 3.16Å; D64-I66 WeakPolarHBondContact OD2-CD1 3.1Å; D64-I66 WeakPolarHBondContact OD2-CG1 3.34Å
67H96.8Very high96Very high0 Ų012.3 Ų12.30%07%0.068CC..Hα-helixtrans-112.8-29.2177.3-64.395.7000113.2L19 D33 C34 G35 S61 H62 D64 P65 D175L19-H67 WeakPolarHBondContact CD1-NE2 3.21Å; D33-H67 WeakPolarHBondContact CB-O 3.27Å; D33-H67 IonicContact OD2-CD2 3.83Å; D33-H67 PolarHBondContact OD2-CD2 3.34Å; C34-H67 CarbonylContact C-O 3.55Å; C34-H67 VanDerWaalsContact C-O 3.27Å; C34-H67 PolarHBondContact N-O 2.88Å; G35-H67 PolarHBondContact N-O 2.87Å; S61-H67 PolarHBondContact OG-CD2 3.28Å; H62-H67 HydrophobicContact CB-CB 4.17Å; H62-H67 AromaticContact CG-CE1 3.93Å; H62-H67 AromaticContact ND1-CD2 3.75Å; H62-H67 AromaticContact ND1-CE1 3.59Å; H62-H67 AromaticContact ND1-NE2 3.34Å; H62-H67 PolarHBondContact ND1-NE2 2.83Å; D64-H67 PolarHBondContact O-N 2.83Å; D64-H67 IonicContact OD1-CE1 3.64Å; D64-H67 IonicContact OD1-CG 2.77Å; D64-H67 IonicContact OD1-ND1 3.57Å; D64-H67 PolarHBondContact OD1-ND1 3.11Å; D64-H67 IonicContact OD2-ND1 3.36Å; P65-H67 PolarHBondContact O-N 2.85Å; H67-D175 IonicContact CE1-OD2 3.67Å; H67-D175 PolarHBondContact CE1-OD2 2.81Å; H67-D175 IonicContact NE2-OD2 3.38Å; H67-D175 PolarHBondContact NE2-OD2 2.95Å
68L96.6Very high95.8Very high0 Ų013.4 Ų13.40%07%0.074CC..Hα-helixtrans-133.26.2-178.36371.1000116C34 L60 H62 D64 A70 L71 V90 M98 F123C34-L68 CarbonylContact O-C 3.37Å; C34-L68 WeakPolarHBondContact O-CA 3.49Å; L60-L68 HydrophobicContact CD1-CB 4.21Å; L60-L68 HydrophobicContact CD1-CD2 4.34Å; L60-L68 HydrophobicContact CD2-CB 4.01Å; H62-L68 WeakPolarHBondContact O-CD2 3.19Å; D64-L68 PolarHBondContact O-N 3.24Å; L68-A70 VanDerWaalsContact C-N 3.31Å; L68-A70 PolarHBondContact O-N 3.02Å; L68-L71 WeakPolarHBondContact O-CB 3.14Å; L68-L71 PolarHBondContact O-N 3.08Å; L68-L71 VanDerWaalsContact O-N 3.1Å; L68-V90 HydrophobicContact CD2-CG1 4.16Å; L68-M98 HydrophobicContact CD1-CG 3.77Å; L68-M98 HydrophobicContact CD1-SD 3.69Å; L68-F123 HydrophobicContact CD1-CZ 4.12Å; L68-F123 HydrophobicContact CD2-CZ 4.27Å
69G95.9Very high95.4Very high0 Ų015.6 Ų15.60%010%0.097CC..THydrogen-bonded Turntrans-64.8-27.7-171.400000115.3C34 P65 L71 M98C34-G69 PolarHBondContact O-N 2.75Å; P65-G69 WeakPolarHBondContact O-CA 3.28Å; P65-G69 PolarHBondContact O-N 3.15Å; G69-L71 VanDerWaalsContact C-N 3.32Å; G69-M98 VanDerWaalsContact O-CE 3.27Å; G69-M98 WeakPolarHBondContact O-CE 3.48Å
70A96.4Very high95.1Very high1 Ų115.7 Ų15.71%0.00810%0.097CC..THydrogen-bonded Turntrans-86-8178.700000112.2C34 G35 W36 I45 M48 L68 Y73 A74C34-A70 WeakPolarHBondContact O-CB 3.38Å; C34-A70 PolarHBondContact O-N 3.25Å; G35-A70 WeakPolarHBondContact O-CB 3.46Å; W36-A70 HydrophobicContact CB-CB 4Å; W36-A70 HydrophobicContact CD2-CB 4.25Å; W36-A70 HydrophobicContact CE3-CB 4.29Å; W36-A70 HydrophobicContact CG-CB 4.16Å; I45-A70 HydrophobicContact CD1-CB 3.97Å; M48-A70 HydrophobicContact CE-CB 4.33Å; L68-A70 VanDerWaalsContact C-N 3.31Å; L68-A70 PolarHBondContact O-N 3.02Å; A70-Y73 PolarHBondContact O-N 2.99Å; A70-A74 WeakPolarHBondContact O-CB 3.28Å; A70-A74 PolarHBondContact O-N 2.88Å
71L96.3Very high94.8Very high0 Ų022.2 Ų22.20%013%0.132CC..Hα-helixtrans-61.3-45.7-174-172.370.9000113.9L60 L68 G69 Y73 A74 V75 L80 I84 A122 I126L60-L71 HydrophobicContact CD1-CD2 3.84Å; L68-L71 WeakPolarHBondContact O-CB 3.14Å; L68-L71 PolarHBondContact O-N 3.08Å; L68-L71 VanDerWaalsContact O-N 3.1Å; G69-L71 VanDerWaalsContact C-N 3.32Å; L71-Y73 VanDerWaalsContact C-N 3.28Å; L71-Y73 PolarHBondContact O-N 3.35Å; L71-A74 PolarHBondContact O-N 3.04Å; L71-V75 HydrophobicContact CD1-CG2 4.26Å; L71-V75 HydrophobicContact CG-CG2 4.48Å; L71-V75 WeakPolarHBondContact O-CG2 3.28Å; L71-V75 PolarHBondContact O-N 2.87Å; L71-L80 HydrophobicContact CD1-CD2 4.42Å; L71-I84 HydrophobicContact CD1-CD1 3.85Å; L71-I84 HydrophobicContact CD1-CG1 4.44Å; L71-I84 HydrophobicContact CD2-CD1 4.32Å; L71-I84 HydrophobicContact CG-CD1 4.43Å; L71-A122 HydrophobicContact CG-CB 4.22Å; L71-I126 HydrophobicContact CD2-CD1 4.22Å
72P96.2Very high94.6Very high0 Ų023 Ų230%014%0.137CC..Hα-helixtrans-59.2-40.1176.2-26.538.5000112.5G76 M98 F114 D118 V119P72-G76 PolarHBondContact O-N 3.46Å; P72-M98 HydrophobicContact CG-CE 3.66Å; P72-M98 HydrophobicContact CG-CG 4.33Å; P72-F114 HydrophobicContact CB-CB 4.11Å; P72-F114 HydrophobicContact CB-CD2 4.06Å; P72-F114 HydrophobicContact CB-CG 4.07Å; P72-D118 HydrophobicContact CB-CB 4.33Å; P72-V119 HydrophobicContact CB-CG2 4.11Å; P72-V119 HydrophobicContact CG-CG2 3.96Å
73Y95.5Very high94.5Very high46 Ų4625.9 Ų25.918%0.1816%0.155CC..Hα-helixtrans-68.3-42.4176.5-168.5-85.9000111.9W36 I45 A70 L71 V75 K77 L78 L113W36-Y73 AromaticContact CH2-CD2 3.93Å; W36-Y73 HydrophobicContact CH2-CD2 3.93Å; W36-Y73 HydrophobicContact CH2-CE2 4.45Å; W36-Y73 HydrophobicContact CH2-CG 4.05Å; W36-Y73 HydrophobicContact CZ3-CD2 4.15Å; W36-Y73 HydrophobicContact CZ3-CG 4.06Å; I45-Y73 HydrophobicContact CD1-CD1 3.91Å; I45-Y73 HydrophobicContact CD1-CE1 4.44Å; I45-Y73 HydrophobicContact CG1-CD1 4.35Å; I45-Y73 HydrophobicContact CG1-CE1 4.42Å; I45-Y73 HydrophobicContact CG2-CD1 3.92Å; I45-Y73 HydrophobicContact CG2-CE1 3.38Å; A70-Y73 PolarHBondContact O-N 2.99Å; L71-Y73 VanDerWaalsContact C-N 3.28Å; L71-Y73 PolarHBondContact O-N 3.35Å; Y73-V75 PolarHBondContact O-N 3.41Å; Y73-K77 HydrophobicContact CD1-CB 4.32Å; Y73-K77 HydrophobicContact CD2-CB 4.38Å; Y73-K77 HydrophobicContact CD2-CG 3.92Å; Y73-K77 HydrophobicContact CE1-CB 4.11Å; Y73-K77 HydrophobicContact CE2-CB 4.2Å; Y73-K77 HydrophobicContact CE2-CG 3.87Å; Y73-K77 HydrophobicContact CG-CB 4.45Å; Y73-K77 HydrophobicContact CG-CG 4.36Å; Y73-K77 WeakPolarHBondContact O-CA 3.3Å; Y73-K77 WeakPolarHBondContact O-CB 3.48Å; Y73-K77 PolarHBondContact O-N 2.87Å; Y73-L78 HydrophobicContact CD1-CD1 4.27Å; Y73-L78 HydrophobicContact CD1-CG 4.05Å; Y73-L78 HydrophobicContact CE1-CD1 4.41Å; Y73-L78 HydrophobicContact CE1-CD2 3.96Å; Y73-L78 HydrophobicContact CE1-CG 3.99Å; Y73-L78 PolarHBondContact O-N 3.02Å; Y73-L113 VanDerWaalsContact CD2-O 3.24Å; Y73-L113 WeakPolarHBondContact CD2-O 3.22Å
74A94.9Very high94.5Very high0 Ų025.9 Ų25.90%016%0.155CC..Hα-helixtrans-62.7-42.5179.500000112.2M48 A70 L71 L78 G79 L80M48-A74 HydrophobicContact CE-CB 3.91Å; M48-A74 HydrophobicContact SD-CB 4.1Å; A70-A74 WeakPolarHBondContact O-CB 3.28Å; A70-A74 PolarHBondContact O-N 2.88Å; L71-A74 PolarHBondContact O-N 3.04Å; A74-L78 HydrophobicContact CB-CD1 4.46Å; A74-L78 CarbonylContact O-C 3.52Å; A74-L78 WeakPolarHBondContact O-CB 3.3Å; A74-L78 PolarHBondContact O-N 3.03Å; A74-G79 PolarHBondContact O-N 2.98Å; A74-G79 VanDerWaalsContact O-N 3.15Å; A74-L80 HydrophobicContact CB-CB 4.34Å; A74-L80 HydrophobicContact CB-CD2 4.11Å; A74-L80 WeakPolarHBondContact O-CB 3.32Å; A74-L80 PolarHBondContact O-N 3.11Å
75V94.3Very high94.6Very high12 Ų1226.6 Ų26.67%0.07316%0.157CC..Hα-helixtrans-75.7-51.8179.1176.80000111L71 Y73 L80 I84 A122 K125L71-V75 HydrophobicContact CD1-CG2 4.26Å; L71-V75 HydrophobicContact CG-CG2 4.48Å; L71-V75 WeakPolarHBondContact O-CG2 3.28Å; L71-V75 PolarHBondContact O-N 2.87Å; Y73-V75 PolarHBondContact O-N 3.41Å; V75-L80 HydrophobicContact CG2-CB 4.38Å; V75-L80 HydrophobicContact CG2-CD2 4.47Å; V75-I84 HydrophobicContact CG2-CD1 4.29Å; V75-A122 HydrophobicContact CB-CB 3.95Å; V75-A122 HydrophobicContact CG1-CB 4.38Å; V75-A122 HydrophobicContact CG2-CB 3.92Å; V75-K125 HydrophobicContact CG1-CD 4.04Å
76G89.9Confident94.7Very high37 Ų3725.2 Ų25.238%0.38115%0.148SC..Hα-helixtrans-73.6-36.3-172.900000114.5P72P72-G76 PolarHBondContact O-N 3.46Å
77K91Very high94.9Very high108 Ų10824.4 Ų24.447%0.4714%0.144SC..THydrogen-bonded Turntrans-110.4-37.5-173.9-52.4-57.3-177.9-146.20114Y73 D118Y73-K77 HydrophobicContact CD1-CB 4.32Å; Y73-K77 HydrophobicContact CD2-CB 4.38Å; Y73-K77 HydrophobicContact CD2-CG 3.92Å; Y73-K77 HydrophobicContact CE1-CB 4.11Å; Y73-K77 HydrophobicContact CE2-CB 4.2Å; Y73-K77 HydrophobicContact CE2-CG 3.87Å; Y73-K77 HydrophobicContact CG-CB 4.45Å; Y73-K77 HydrophobicContact CG-CG 4.36Å; Y73-K77 WeakPolarHBondContact O-CA 3.3Å; Y73-K77 WeakPolarHBondContact O-CB 3.48Å; Y73-K77 PolarHBondContact O-N 2.87Å; K77-D118 IonicContact NZ-OD1 3.68Å; K77-D118 PolarHBondContact NZ-OD1 3.34Å; K77-D118 IonicContact NZ-OD2 3.66Å; K77-D118 PolarHBondContact NZ-OD2 2.98Å
78L91.8Very high94.9Very high26 Ų2626.1 Ų26.114%0.13615%0.153CC..THydrogen-bonded Turntrans-88.6-11.8-179.2-54.8179.4000113.4I45 M48 K49 V52 Y73 A74I45-L78 HydrophobicContact CG2-CD1 4.21Å; I45-L78 HydrophobicContact CG2-CD2 4.38Å; M48-L78 HydrophobicContact CE-CD1 3.51Å; K49-L78 HydrophobicContact CD-CD2 4.37Å; K49-L78 HydrophobicContact CG-CD2 4.32Å; V52-L78 HydrophobicContact CG1-CB 4.29Å; V52-L78 HydrophobicContact CG2-CB 4.1Å; V52-L78 HydrophobicContact CG2-CD1 3.97Å; Y73-L78 HydrophobicContact CD1-CD1 4.27Å; Y73-L78 HydrophobicContact CD1-CG 4.05Å; Y73-L78 HydrophobicContact CE1-CD1 4.41Å; Y73-L78 HydrophobicContact CE1-CD2 3.96Å; Y73-L78 HydrophobicContact CE1-CG 3.99Å; Y73-L78 PolarHBondContact O-N 3.02Å; A74-L78 HydrophobicContact CB-CD1 4.46Å; A74-L78 CarbonylContact O-C 3.52Å; A74-L78 WeakPolarHBondContact O-CB 3.3Å; A74-L78 PolarHBondContact O-N 3.03Å
79G90Very high95Very high46 Ų4626.1 Ų26.147%0.47415%0.153SC..  trans74.731.5178.100000113.6A74 N81A74-G79 PolarHBondContact O-N 2.98Å; A74-G79 VanDerWaalsContact O-N 3.15Å; G79-N81 PolarHBondContact O-N 2.77Å; G79-N81 VanDerWaalsContact O-N 3.15Å
80L93Very high95.1Very high2 Ų226.2 Ų26.21%0.0115%0.153CC..  trans-61.5115.1172.5-17468.7000109.8V52 V55 V58 L71 A74 V75 K125V52-L80 HydrophobicContact CG1-CB 4.03Å; V52-L80 HydrophobicContact CG1-CD1 3.98Å; V55-L80 HydrophobicContact CB-CD1 4.07Å; V55-L80 HydrophobicContact CG1-CD1 4.24Å; V58-L80 HydrophobicContact CG2-CD2 3.88Å; L71-L80 HydrophobicContact CD1-CD2 4.42Å; A74-L80 HydrophobicContact CB-CB 4.34Å; A74-L80 HydrophobicContact CB-CD2 4.11Å; A74-L80 WeakPolarHBondContact O-CB 3.32Å; A74-L80 PolarHBondContact O-N 3.11Å; V75-L80 HydrophobicContact CG2-CB 4.38Å; V75-L80 HydrophobicContact CG2-CD2 4.47Å; L80-K125 PolarHBondContact O-NZ 2.93Å
81N90.9Very high95.2Very high136 Ų13627.3 Ų27.373%0.72716%0.158SC*.  trans-129.166.7-174.1-156.332.1000112G79 K125G79-N81 PolarHBondContact O-N 2.77Å; G79-N81 VanDerWaalsContact O-N 3.15Å; N81-K125 PolarHBondContact OD1-NZ 3.38Å
82C93.6Very high95.3Very high17 Ų1730.1 Ų30.112%0.11517%0.17CC..SBendtrans-134.5169.3177.156.50000110.5D56D56-C82 VanDerWaalsContact O-CB 3.31Å; D56-C82 WeakPolarHBondContact O-CB 3.48Å
83T95.6Very high95.3Very high60 Ų6030.1 Ų30.137%0.36817%0.17SC..EExtended strand (participates in β ladder)trans-74.3129.6174.5-51.90000109.8A57 V58 Y85 Q127A57-T83 WeakPolarHBondContact CA-O 3.19Å; V58-T83 PolarHBondContact N-O 3.17Å; T83-Y85 HydrophobicContact CG2-CD1 4.49Å; T83-Y85 HydrophobicContact CG2-CD2 4.37Å; T83-Y85 HydrophobicContact CG2-CE1 3.94Å; T83-Y85 HydrophobicContact CG2-CE2 3.79Å; T83-Q127 HydrophobicContact CG2-CB 4.13Å
84I98.1Very high95.4Very high1 Ų127.9 Ų27.91%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-103.6129.6176.4-58155.4000107.7V58 L60 L71 V75 K125 I126 Q127V58-I84 HydrophobicContact CB-CB 4.27Å; V58-I84 HydrophobicContact CB-CG1 3.95Å; V58-I84 HydrophobicContact CB-CG2 4.07Å; V58-I84 HydrophobicContact CG1-CG2 4.21Å; V58-I84 HydrophobicContact CG2-CG1 4.05Å; L60-I84 HydrophobicContact CD1-CG2 3.73Å; L60-I84 HydrophobicContact CG-CG2 3.9Å; L71-I84 HydrophobicContact CD1-CD1 3.85Å; L71-I84 HydrophobicContact CD1-CG1 4.44Å; L71-I84 HydrophobicContact CD2-CD1 4.32Å; L71-I84 HydrophobicContact CG-CD1 4.43Å; V75-I84 HydrophobicContact CG2-CD1 4.29Å; I84-K125 HydrophobicContact CD1-CB 4.05Å; I84-I126 HydrophobicContact CB-CG1 3.98Å; I84-I126 HydrophobicContact CD1-CG1 4.31Å; I84-I126 HydrophobicContact CG2-CD1 4.32Å; I84-I126 HydrophobicContact CG2-CG1 3.77Å; I84-I126 CarbonylContact O-C 3.43Å; I84-I126 WeakPolarHBondContact O-CA 3.43Å; I84-Q127 PolarHBondContact O-N 2.85Å
85Y98.5Very high95.6Very high20 Ų2028.9 Ų28.98%0.07817%0.166CC..EExtended strand (participates in β ladder)trans-109.9130.2177.8-60.3-86.6000110.1A57 V58 L59 L60 T83 Q127 L129 V135 L137 I146 W160A57-Y85 HydrophobicContact CB-CD2 4.26Å; A57-Y85 HydrophobicContact CB-CE2 3.93Å; V58-Y85 PolarHBondContact O-N 2.97Å; L59-Y85 HydrophobicContact CD2-CD2 3.86Å; L59-Y85 HydrophobicContact CD2-CG 4.18Å; L60-Y85 PolarHBondContact N-O 3.09Å; T83-Y85 HydrophobicContact CG2-CD1 4.49Å; T83-Y85 HydrophobicContact CG2-CD2 4.37Å; T83-Y85 HydrophobicContact CG2-CE1 3.94Å; T83-Y85 HydrophobicContact CG2-CE2 3.79Å; Y85-Q127 HydrophobicContact CD1-CB 4.03Å; Y85-Q127 HydrophobicContact CD1-CG 4.32Å; Y85-Q127 HydrophobicContact CE1-CB 4.22Å; Y85-Q127 HydrophobicContact CE1-CG 4.31Å; Y85-Q127 VanDerWaalsContact CE1-OE1 3.23Å; Y85-L129 HydrophobicContact CD1-CD1 4.08Å; Y85-L129 HydrophobicContact CD1-CD2 4.37Å; Y85-L129 HydrophobicContact CD1-CG 4.42Å; Y85-V135 HydrophobicContact CE1-CG1 3.98Å; Y85-L137 HydrophobicContact CE2-CD2 3.98Å; Y85-L137 WeakPolarHBondContact OH-CD2 3.4Å; Y85-I146 HydrophobicContact CD1-CD1 3.71Å; Y85-I146 HydrophobicContact CD2-CD1 3.7Å; Y85-I146 HydrophobicContact CE1-CD1 4.05Å; Y85-I146 HydrophobicContact CE2-CD1 4.06Å; Y85-I146 HydrophobicContact CG-CD1 3.5Å; Y85-W160 WeakPolarHBondContact O-CZ2 3.34Å
86A98.5Very high95.7Very high0 Ų028.6 Ų28.60%016%0.164CC..EExtended strand (participates in β ladder)trans-152.4161.3175.900000109.5L60 V90 I126 Q127 Q128 L129L60-A86 HydrophobicContact CB-CB 4.04Å; L60-A86 HydrophobicContact CD1-CB 4.19Å; A86-V90 HydrophobicContact CB-CB 4.08Å; A86-V90 HydrophobicContact CB-CG1 3.8Å; A86-I126 HydrophobicContact CB-CG2 3.7Å; A86-Q127 PolarHBondContact N-O 2.67Å; A86-Q128 CarbonylContact O-C 3.27Å; A86-Q128 WeakPolarHBondContact O-CA 3.49Å; A86-L129 PolarHBondContact O-N 3.17Å
87T98.4Very high96Very high0 Ų027.1 Ų27.10%015%0.147CC..EExtended strand (participates in β ladder)trans-75.2161.5170.850.50000111.9P89 V90 Y91 L129 Y131 P148 G156 T158 W286T87-P89 VanDerWaalsContact C-N 3.35Å; T87-V90 PolarHBondContact O-N 2.88Å; T87-V90 VanDerWaalsContact O-N 3.11Å; T87-V90 WeakPolarHBondContact OG1-CG2 3.34Å; T87-Y91 PolarHBondContact O-N 2.7Å; T87-L129 VanDerWaalsContact CA-O 3.29Å; T87-L129 WeakPolarHBondContact CA-O 3.24Å; T87-Y131 HydrophobicContact CG2-CD1 4.28Å; T87-Y131 HydrophobicContact CG2-CE1 4.18Å; T87-P148 HydrophobicContact CG2-CB 4.08Å; T87-P148 HydrophobicContact CG2-CG 4.31Å; T87-G156 PolarHBondContact OG1-O 2.76Å; T87-T158 HydrophobicContact CG2-CG2 3.26Å; T87-W286 HydrophobicContact CG2-CH2 3.76Å; T87-W286 HydrophobicContact CG2-CZ3 3.72Å
88I98.2Very high96.3Very high37 Ų3722 Ų2219%0.1912%0.124CC..Hα-helixtrans-52.4-45.9179.1-56.4173.9000112.3Y91 K92 Q128 L129 K130 W286I88-Y91 PolarHBondContact O-N 2.91Å; I88-K92 PolarHBondContact O-N 3.15Å; I88-Q128 HydrophobicContact CG1-CB 4.07Å; I88-L129 PolarHBondContact N-O 3.15Å; I88-K130 HydrophobicContact CD1-CG 4.18Å; I88-W286 HydrophobicContact CB-CZ2 3.8Å; I88-W286 HydrophobicContact CD1-CZ2 3.87Å; I88-W286 HydrophobicContact CG1-CZ2 3.87Å
89P98Very high96.6Very high0 Ų023.2 Ų23.20%013%0.128CC..Hα-helixtrans-73.3-31.6179.2-14.830.9000112.9T87 Y91 K92 M93 I155 W286T87-P89 VanDerWaalsContact C-N 3.35Å; P89-Y91 VanDerWaalsContact C-N 3.3Å; P89-Y91 PolarHBondContact O-N 3.05Å; P89-K92 PolarHBondContact O-N 2.91Å; P89-M93 WeakPolarHBondContact O-CA 3.43Å; P89-M93 WeakPolarHBondContact O-CB 3.45Å; P89-M93 WeakPolarHBondContact O-CG 3.42Å; P89-M93 PolarHBondContact O-N 2.79Å; P89-I155 HydrophobicContact CB-CG1 3.94Å; P89-I155 HydrophobicContact CB-CG2 4.3Å; P89-I155 HydrophobicContact CG-CG1 4.29Å; P89-W286 HydrophobicContact CG-CB 4.07Å; P89-W286 HydrophobicContact CG-CD2 3.4Å; P89-W286 VanDerWaalsContact CG-CD2 3.4Å; P89-W286 HydrophobicContact CG-CE3 3.67Å; P89-W286 HydrophobicContact CG-CG 3.56Å; P89-W286 HydrophobicContact CG-CZ2 4.41Å; P89-W286 HydrophobicContact CG-CZ3 4.26Å
90V98.3Very high96.9Very high1 Ų121 Ų211%0.00611%0.105CC..Hα-helixtrans-62.2-41.3173.2173.40000110.5L60 L68 A86 T87 G94L60-V90 HydrophobicContact CB-CG1 4.12Å; L68-V90 HydrophobicContact CD2-CG1 4.16Å; A86-V90 HydrophobicContact CB-CB 4.08Å; A86-V90 HydrophobicContact CB-CG1 3.8Å; T87-V90 PolarHBondContact O-N 2.88Å; T87-V90 VanDerWaalsContact O-N 3.11Å; T87-V90 WeakPolarHBondContact OG1-CG2 3.34Å; V90-G94 WeakPolarHBondContact O-CA 3.18Å; V90-G94 PolarHBondContact O-N 3.46Å
91Y98.1Very high97Very high24 Ų2421.3 Ų21.39%0.09411%0.106CC..Hα-helixtrans-61.9-55.2172.9166.8-106000112.3T87 I88 P89 Q95 F123 I126 Q128T87-Y91 PolarHBondContact O-N 2.7Å; I88-Y91 PolarHBondContact O-N 2.91Å; P89-Y91 VanDerWaalsContact C-N 3.3Å; P89-Y91 PolarHBondContact O-N 3.05Å; Y91-Q95 PolarHBondContact O-N 3.02Å; Y91-Q95 VanDerWaalsContact O-N 3.14Å; Y91-F123 HydrophobicContact CD2-CB 4.27Å; Y91-F123 AromaticContact CD2-CD1 3.76Å; Y91-F123 HydrophobicContact CD2-CD1 3.76Å; Y91-F123 HydrophobicContact CE2-CB 3.85Å; Y91-F123 HydrophobicContact CE2-CD1 4.12Å; Y91-F123 VanDerWaalsContact CE2-O 3.23Å; Y91-F123 WeakPolarHBondContact CE2-O 3.4Å; Y91-F123 VanDerWaalsContact O-CD1 3.3Å; Y91-F123 WeakPolarHBondContact O-CD1 3.29Å; Y91-F123 WeakPolarHBondContact O-CE1 3.35Å; Y91-I126 HydrophobicContact CD2-CB 3.97Å; Y91-I126 HydrophobicContact CD2-CD1 4.16Å; Y91-I126 HydrophobicContact CD2-CG2 4.18Å; Y91-Q128 HydrophobicContact CD1-CG 3.81Å; Y91-Q128 HydrophobicContact CD2-CG 4.4Å; Y91-Q128 HydrophobicContact CE1-CG 4.42Å; Y91-Q128 VanDerWaalsContact CE1-NE2 3.33Å; Y91-Q128 HydrophobicContact CG-CG 3.81Å
92K97.4Very high97.2Very high59 Ų5916.4 Ų16.426%0.2578%0.078SC..Hα-helixtrans-70.3-48.7-175.3-70.8-59.2-173.1-171.90113.4I88 P89 Q95 M96I88-K92 PolarHBondContact O-N 3.15Å; P89-K92 PolarHBondContact O-N 2.91Å; K92-Q95 PolarHBondContact O-N 3.49Å; K92-M96 WeakPolarHBondContact O-CG 3.46Å; K92-M96 PolarHBondContact O-N 2.99Å
93M97.6Very high97.2Very high0 Ų018.6 Ų18.60%09%0.087CC..Hα-helixtrans-72.6-35.1-179.6-60.4-57.1-172.400111P63 P89 Q95 M96 F97 I155 A240 L244 F279P63-M93 HydrophobicContact CB-CB 3.89Å; P63-M93 HydrophobicContact CG-CB 4.35Å; P89-M93 WeakPolarHBondContact O-CA 3.43Å; P89-M93 WeakPolarHBondContact O-CB 3.45Å; P89-M93 WeakPolarHBondContact O-CG 3.42Å; P89-M93 PolarHBondContact O-N 2.79Å; M93-Q95 VanDerWaalsContact C-N 3.3Å; M93-Q95 PolarHBondContact O-N 3.01Å; M93-M96 WeakPolarHBondContact O-CA 3.39Å; M93-M96 WeakPolarHBondContact O-CB 3.43Å; M93-M96 PolarHBondContact O-N 3.17Å; M93-F97 VanDerWaalsContact O-CD2 3.26Å; M93-F97 WeakPolarHBondContact O-CD2 3.44Å; M93-F97 PolarHBondContact O-N 3.16Å; M93-I155 HydrophobicContact CE-CG2 4.4Å; M93-I155 HydrophobicContact CG-CG2 3.76Å; M93-A240 HydrophobicContact CB-CB 3.99Å; M93-A240 HydrophobicContact CG-CB 4.36Å; M93-A240 HydrophobicContact SD-CB 3.87Å; M93-L244 HydrophobicContact CE-CD1 4.28Å; M93-F279 HydrophobicContact CE-CB 3.98Å; M93-F279 HydrophobicContact SD-CB 4.37Å
94G97.8Very high97Very high0 Ų015.8 Ų15.80%07%0.069CC..Hα-helixtrans-59.6-40.5173.700000112.9P63 V90 M96 F97 M98 F123P63-G94 VanDerWaalsContact O-CA 3.25Å; P63-G94 WeakPolarHBondContact O-CA 3.25Å; V90-G94 WeakPolarHBondContact O-CA 3.18Å; V90-G94 PolarHBondContact O-N 3.46Å; G94-M96 VanDerWaalsContact C-N 3.28Å; G94-M96 PolarHBondContact O-N 2.92Å; G94-F97 WeakPolarHBondContact O-CB 3.49Å; G94-F97 PolarHBondContact O-N 3.13Å; G94-M98 WeakPolarHBondContact O-CG 3.39Å; G94-M98 PolarHBondContact O-N 3.28Å; G94-F123 VanDerWaalsContact C-CE1 3.47Å
95Q97.4Very high96.7Very high21 Ų2116.7 Ų16.710%0.0987%0.073CC..Hα-helixtrans-61.4-40.2174.1-165.9178.324.500111Y91 K92 M93 M98 Y99 V119 D120 F123Y91-Q95 PolarHBondContact O-N 3.02Å; Y91-Q95 VanDerWaalsContact O-N 3.14Å; K92-Q95 PolarHBondContact O-N 3.49Å; M93-Q95 VanDerWaalsContact C-N 3.3Å; M93-Q95 PolarHBondContact O-N 3.01Å; Q95-M98 PolarHBondContact O-N 2.91Å; Q95-Y99 HydrophobicContact CG-CD2 4.22Å; Q95-Y99 HydrophobicContact CG-CE1 4.27Å; Q95-Y99 HydrophobicContact CG-CE2 3.76Å; Q95-Y99 PolarHBondContact NE2-OH 3.31Å; Q95-Y99 PolarHBondContact O-N 3.22Å; Q95-V119 HydrophobicContact CG-CG1 4.32Å; Q95-D120 PolarHBondContact NE2-OD1 3Å; Q95-D120 VanDerWaalsContact NE2-OD1 3.1Å; Q95-F123 HydrophobicContact CB-CD1 3.84Å; Q95-F123 HydrophobicContact CB-CE1 3.95Å; Q95-F123 HydrophobicContact CB-CG 4.26Å; Q95-F123 HydrophobicContact CB-CZ 4.4Å; Q95-F123 HydrophobicContact CG-CD1 4.44Å; Q95-F123 HydrophobicContact CG-CG 4.38Å
96M97.2Very high96.4Very high5 Ų517.3 Ų17.33%0.0258%0.077CC..Hα-helixtrans-65.2-40.1176.2-62.2-57.195.600112.5K92 M93 G94 M98 Y99 D100 A240 V272 N275 V276 F279K92-M96 WeakPolarHBondContact O-CG 3.46Å; K92-M96 PolarHBondContact O-N 2.99Å; M93-M96 WeakPolarHBondContact O-CA 3.39Å; M93-M96 WeakPolarHBondContact O-CB 3.43Å; M93-M96 PolarHBondContact O-N 3.17Å; G94-M96 VanDerWaalsContact C-N 3.28Å; G94-M96 PolarHBondContact O-N 2.92Å; M96-M98 VanDerWaalsContact C-N 3.34Å; M96-Y99 HydrophobicContact CE-CD2 3.47Å; M96-Y99 VanDerWaalsContact CE-CD2 3.47Å; M96-Y99 HydrophobicContact CE-CE2 3.68Å; M96-Y99 HydrophobicContact SD-CD2 4.47Å; M96-D100 WeakPolarHBondContact O-CB 3.11Å; M96-D100 PolarHBondContact O-N 2.88Å; M96-A240 HydrophobicContact CB-CB 4.35Å; M96-V272 HydrophobicContact CB-CG2 4.1Å; M96-V272 HydrophobicContact SD-CB 4.16Å; M96-V272 HydrophobicContact SD-CG2 4.14Å; M96-N275 HydrophobicContact SD-CB 3.55Å; M96-N275 VanDerWaalsContact SD-CB 3.55Å; M96-V276 HydrophobicContact CB-CG2 3.99Å; M96-V276 HydrophobicContact CG-CG2 4.13Å; M96-F279 HydrophobicContact CE-CE2 3.83Å; M96-F279 HydrophobicContact CG-CD2 4.04Å; M96-F279 HydrophobicContact CG-CE2 4.16Å; M96-F279 HydrophobicContact SD-CD2 4.15Å; M96-F279 HydrophobicContact SD-CE2 3.73Å
97F97.4Very high95.9Very high6 Ų619.4 Ų19.43%0.0269%0.088CC..Hα-helixtrans-58.3-46.7172.8-88.1-81000111.5P63 D64 P65 M93 G94 D100 L101 M154 D238 A240P63-F97 HydrophobicContact CB-CD2 3.98Å; P63-F97 HydrophobicContact CB-CE2 4.02Å; P63-F97 HydrophobicContact CG-CD2 4.47Å; P63-F97 HydrophobicContact CG-CE2 3.99Å; P63-F97 WeakPolarHBondContact O-CD2 3.44Å; P63-F97 WeakPolarHBondContact O-CG 3.23Å; D64-F97 HydrophobicContact CB-CD1 4.42Å; D64-F97 HydrophobicContact CB-CE1 4.01Å; D64-F97 HydrophobicContact CB-CE2 4.42Å; D64-F97 HydrophobicContact CB-CZ 4Å; P65-F97 HydrophobicContact CG-CD1 4.34Å; M93-F97 VanDerWaalsContact O-CD2 3.26Å; M93-F97 WeakPolarHBondContact O-CD2 3.44Å; M93-F97 PolarHBondContact O-N 3.16Å; G94-F97 WeakPolarHBondContact O-CB 3.49Å; G94-F97 PolarHBondContact O-N 3.13Å; F97-D100 PolarHBondContact O-N 3.5Å; F97-L101 WeakPolarHBondContact O-CB 3.16Å; F97-L101 PolarHBondContact O-N 3.26Å; F97-M154 HydrophobicContact CZ-SD 4.36Å; F97-D238 HydrophobicContact CE1-CB 3.86Å; F97-D238 HydrophobicContact CZ-CB 3.99Å; F97-D238 WeakPolarHBondContact CZ-OD2 3.47Å; F97-A240 HydrophobicContact CD2-CB 4.03Å; F97-A240 HydrophobicContact CE2-CB 3.78Å; F97-A240 HydrophobicContact CZ-CB 4.46Å
98M97.1Very high95.3Very high0 Ų020 Ų200%09%0.093CC..Hα-helixtrans-70.5-38-178-63-45.6-70.500112.9L68 G69 P72 G94 Q95 M96 L101 Y102 F114 V119 F123L68-M98 HydrophobicContact CD1-CG 3.77Å; L68-M98 HydrophobicContact CD1-SD 3.69Å; G69-M98 VanDerWaalsContact O-CE 3.27Å; G69-M98 WeakPolarHBondContact O-CE 3.48Å; P72-M98 HydrophobicContact CG-CE 3.66Å; P72-M98 HydrophobicContact CG-CG 4.33Å; G94-M98 WeakPolarHBondContact O-CG 3.39Å; G94-M98 PolarHBondContact O-N 3.28Å; Q95-M98 PolarHBondContact O-N 2.91Å; M96-M98 VanDerWaalsContact C-N 3.34Å; M98-L101 HydrophobicContact CE-CD2 4.15Å; M98-L101 HydrophobicContact SD-CD2 4.31Å; M98-Y102 WeakPolarHBondContact O-CB 3.36Å; M98-Y102 PolarHBondContact O-N 2.9Å; M98-F114 HydrophobicContact CE-CE1 3.99Å; M98-F114 HydrophobicContact CE-CE2 3.94Å; M98-F114 HydrophobicContact CE-CZ 3.48Å; M98-F114 VanDerWaalsContact CE-CZ 3.48Å; M98-V119 HydrophobicContact CB-CG1 3.74Å; M98-V119 HydrophobicContact CB-CG2 3.93Å; M98-F123 HydrophobicContact CB-CE2 4.44Å; M98-F123 HydrophobicContact CG-CE2 3.9Å; M98-F123 HydrophobicContact CG-CZ 4.13Å
99Y96.6Very high94.8Very high53 Ų5319.9 Ų19.921%0.2089%0.092CC..Hα-helixtrans-62.8-46.4172.2-72.3-19.8000112.3Q95 M96 Q103 L116 V119 D120Q95-Y99 HydrophobicContact CG-CD2 4.22Å; Q95-Y99 HydrophobicContact CG-CE1 4.27Å; Q95-Y99 HydrophobicContact CG-CE2 3.76Å; Q95-Y99 PolarHBondContact NE2-OH 3.31Å; Q95-Y99 PolarHBondContact O-N 3.22Å; M96-Y99 HydrophobicContact CE-CD2 3.47Å; M96-Y99 VanDerWaalsContact CE-CD2 3.47Å; M96-Y99 HydrophobicContact CE-CE2 3.68Å; M96-Y99 HydrophobicContact SD-CD2 4.47Å; Y99-Q103 VanDerWaalsContact O-CB 3.3Å; Y99-Q103 WeakPolarHBondContact O-CB 3.38Å; Y99-Q103 PolarHBondContact O-N 3.33Å; Y99-L116 HydrophobicContact CD1-CD2 3.46Å; Y99-L116 VanDerWaalsContact CD1-CD2 3.46Å; Y99-L116 HydrophobicContact CE1-CD2 3.98Å; Y99-L116 HydrophobicContact CG-CD2 4.34Å; Y99-V119 HydrophobicContact CD1-CB 4.47Å; Y99-V119 HydrophobicContact CD1-CG1 4.04Å; Y99-V119 HydrophobicContact CE1-CB 4.27Å; Y99-V119 HydrophobicContact CE1-CG1 3.92Å; Y99-D120 WeakPolarHBondContact CE1-OD1 3.42Å; Y99-D120 PolarHBondContact OH-OD1 3.09Å; Y99-D120 PolarHBondContact OH-OD2 3.38Å
100D96.3Very high94.2Very high0 Ų025.9 Ų25.90%012%0.123CC..Hα-helixtrans-67.4-38.5178.8-171.740.5000112M96 F97 Q103 S104 T239 N270 N271 V272 S329 Q330M96-D100 WeakPolarHBondContact O-CB 3.11Å; M96-D100 PolarHBondContact O-N 2.88Å; F97-D100 PolarHBondContact O-N 3.5Å; D100-Q103 PolarHBondContact O-N 3.27Å; D100-S104 WeakPolarHBondContact O-CA 3.5Å; D100-S104 WeakPolarHBondContact O-CB 3.28Å; D100-S104 PolarHBondContact O-N 3.49Å; D100-S104 PolarHBondContact O-OG 2.92Å; D100-S104 PolarHBondContact OD1-OG 2.95Å; D100-T239 HydrophobicContact CB-CG2 3.41Å; D100-T239 VanDerWaalsContact CB-CG2 3.41Å; D100-T239 WeakPolarHBondContact OD2-CG2 3.43Å; D100-T239 PolarHBondContact OD2-OG1 3.29Å; D100-N270 PolarHBondContact OD1-OD1 3.4Å; D100-N270 PolarHBondContact OD2-OD1 2.84Å; D100-N271 WeakPolarHBondContact OD1-CB 3.47Å; D100-N271 PolarHBondContact OD1-N 3.3Å; D100-N271 PolarHBondContact OD1-ND2 3.29Å; D100-V272 HydrophobicContact CB-CG2 4.09Å; D100-S329 WeakPolarHBondContact OD2-CB 3.38Å; D100-S329 PolarHBondContact OD2-OG 2.77Å; D100-Q330 PolarHBondContact OD2-NE2 2.96Å
101L95.1Very high93.8Very high7 Ų726.3 Ų26.34%0.03713%0.125CC..Hα-helixtrans-63.1-47.5176.4-18060.8000111.4F40 P65 F97 M98 R105 F114F40-L101 HydrophobicContact CE1-CD2 4Å; F40-L101 HydrophobicContact CZ-CD1 4.02Å; F40-L101 HydrophobicContact CZ-CD2 3.82Å; F40-L101 HydrophobicContact CZ-CG 4Å; P65-L101 HydrophobicContact CB-CD2 4.09Å; P65-L101 HydrophobicContact CG-CD2 3.99Å; F97-L101 WeakPolarHBondContact O-CB 3.16Å; F97-L101 PolarHBondContact O-N 3.26Å; M98-L101 HydrophobicContact CE-CD2 4.15Å; M98-L101 HydrophobicContact SD-CD2 4.31Å; L101-R105 PolarHBondContact O-N 3.41Å; L101-F114 HydrophobicContact CD2-CZ 4.36Å
102Y95.2Very high93.3Very high34 Ų3430.2 Ų30.213%0.13315%0.152CC..Hα-helixtrans-59.6-53175.1176.3-93.7000110.9M98 S104 R105 N106 F111 F114 L116M98-Y102 WeakPolarHBondContact O-CB 3.36Å; M98-Y102 PolarHBondContact O-N 2.9Å; Y102-S104 PolarHBondContact O-N 2.64Å; Y102-R105 PolarHBondContact O-N 3.42Å; Y102-N106 HydrophobicContact CD1-CB 4.49Å; Y102-N106 HydrophobicContact CE1-CB 4.17Å; Y102-N106 VanDerWaalsContact O-CB 3.28Å; Y102-N106 WeakPolarHBondContact O-CB 3.36Å; Y102-N106 PolarHBondContact O-N 3.37Å; Y102-F111 AromaticContact CD2-CD1 3.56Å; Y102-F111 HydrophobicContact CD2-CD1 3.56Å; Y102-F111 AromaticContact CD2-CE1 3.91Å; Y102-F111 HydrophobicContact CD2-CE1 3.91Å; Y102-F111 AromaticContact CE2-CD1 3.85Å; Y102-F111 HydrophobicContact CE2-CD1 3.85Å; Y102-F114 HydrophobicContact CD2-CD2 4.36Å; Y102-F114 HydrophobicContact CD2-CE2 4.27Å; Y102-F114 VanDerWaalsContact CD2-O 3.23Å; Y102-F114 WeakPolarHBondContact CD2-O 3.49Å; Y102-F114 WeakPolarHBondContact CE2-O 3.33Å; Y102-L116 HydrophobicContact CD1-CD1 4.16Å; Y102-L116 HydrophobicContact CD1-CD2 3.49Å; Y102-L116 VanDerWaalsContact CD1-CD2 3.49Å; Y102-L116 HydrophobicContact CD1-CG 3.61Å; Y102-L116 HydrophobicContact CE1-CD1 4.1Å; Y102-L116 HydrophobicContact CE1-CD2 4.16Å; Y102-L116 HydrophobicContact CE1-CG 3.73Å; Y102-L116 HydrophobicContact CG-CD2 3.88Å; Y102-L116 HydrophobicContact CG-CG 4.24Å
103Q93.9Very high93.1Very high63 Ų6329.3 Ų29.329%0.29415%0.15SC..Hα-helixtrans-66.9-39.5-174.8-168.463.125.900112Y99 D100 R105 N106 N107 N271Y99-Q103 VanDerWaalsContact O-CB 3.3Å; Y99-Q103 WeakPolarHBondContact O-CB 3.38Å; Y99-Q103 PolarHBondContact O-N 3.33Å; D100-Q103 PolarHBondContact O-N 3.27Å; Q103-R105 PolarHBondContact O-N 2.86Å; Q103-N106 PolarHBondContact O-N 3.38Å; Q103-N107 PolarHBondContact NE2-OD1 3.16Å; Q103-N107 WeakPolarHBondContact O-CB 3.29Å; Q103-N107 PolarHBondContact O-N 3.06Å; Q103-N107 PolarHBondContact O-ND2 2.83Å; Q103-N107 PolarHBondContact O-OD1 3.11Å; Q103-N271 HydrophobicContact CB-CB 4.11Å; Q103-N271 HydrophobicContact CG-CB 3.96Å
104S92.8Very high92.9Very high1 Ų129.3 Ų29.31%0.00715%0.15CC..Hα-helixtrans-59.7-35.5177.4-710000112.7D100 Y102 N271D100-S104 WeakPolarHBondContact O-CA 3.5Å; D100-S104 WeakPolarHBondContact O-CB 3.28Å; D100-S104 PolarHBondContact O-N 3.49Å; D100-S104 PolarHBondContact O-OG 2.92Å; D100-S104 PolarHBondContact OD1-OG 2.95Å; Y102-S104 PolarHBondContact O-N 2.64Å; S104-N271 PolarHBondContact OG-ND2 3.46Å; S104-N271 VanDerWaalsContact OG-ND2 3.12Å
105R91.4Very high92.7Very high20 Ų2031.8 Ų31.88%0.07517%0.165CC..Hα-helixtrans-83.9-43.6175.8-70.4-170.2176.1-118.63.6112.6E38 F40 L101 Y102 Q103 N107 S108 E109 F111E38-R105 PolarHBondContact O-NH2 2.95Å; F40-R105 VanDerWaalsContact CE2-CD 3.44Å; L101-R105 PolarHBondContact O-N 3.41Å; Y102-R105 PolarHBondContact O-N 3.42Å; Q103-R105 PolarHBondContact O-N 2.86Å; R105-N107 PolarHBondContact O-N 3.44Å; R105-N107 VanDerWaalsContact O-N 3.13Å; R105-S108 PolarHBondContact O-N 3.37Å; R105-S108 PolarHBondContact O-OG 2.93Å; R105-S108 VanDerWaalsContact O-OG 3.14Å; R105-E109 HydrophobicContact CB-CG 4.18Å; R105-E109 IonicContact NH1-OE1 3.33Å; R105-E109 PolarHBondContact NH1-OE1 3.05Å; R105-E109 VanDerWaalsContact O-CG 3.3Å; R105-E109 WeakPolarHBondContact O-CG 3.18Å; R105-E109 PolarHBondContact O-N 2.81Å; R105-F111 HydrophobicContact CB-CB 4.05Å; R105-F111 HydrophobicContact CB-CD2 3.95Å; R105-F111 HydrophobicContact CB-CG 4Å
106N91.4Very high92.6Very high33 Ų3333.7 Ų33.718%0.17618%0.175CC..Hα-helixtrans-57.2-32.7175.7-171.445.7000111.7Y102 Q103 S108 E109 R384Y102-N106 HydrophobicContact CD1-CB 4.49Å; Y102-N106 HydrophobicContact CE1-CB 4.17Å; Y102-N106 VanDerWaalsContact O-CB 3.28Å; Y102-N106 WeakPolarHBondContact O-CB 3.36Å; Y102-N106 PolarHBondContact O-N 3.37Å; Q103-N106 PolarHBondContact O-N 3.38Å; N106-S108 VanDerWaalsContact C-N 3.28Å; N106-S108 PolarHBondContact O-N 2.92Å; N106-E109 CarbonylContact C-O 3.52Å; N106-E109 WeakPolarHBondContact CA-O 3.42Å; N106-E109 VanDerWaalsContact O-O 3.08Å; N106-R384 PolarHBondContact O-NE 3.14Å; N106-R384 PolarHBondContact O-NH2 3.06Å; N106-R384 PolarHBondContact OD1-NH2 2.73Å; N106-R384 VanDerWaalsContact OD1-NH2 3.15Å
107N88.6Confident92.5Very high43 Ų4339 Ų3923%0.2320%0.204CC..THydrogen-bonded Turntrans-64.4-27.6174.7-71.8-13.1000113.8Q103 R105 N271 R384Q103-N107 PolarHBondContact NE2-OD1 3.16Å; Q103-N107 WeakPolarHBondContact O-CB 3.29Å; Q103-N107 PolarHBondContact O-N 3.06Å; Q103-N107 PolarHBondContact O-ND2 2.83Å; Q103-N107 PolarHBondContact O-OD1 3.11Å; R105-N107 PolarHBondContact O-N 3.44Å; R105-N107 VanDerWaalsContact O-N 3.13Å; N107-N271 PolarHBondContact ND2-OD1 3.34Å; N107-R384 WeakPolarHBondContact O-CB 3.44Å
108S85.1Confident92.5Very high14 Ų1439.5 Ų39.510%0.09821%0.207CC..THydrogen-bonded Turntrans-109.1-32.8-175.463.20000113.7R105 N106 R382R105-S108 PolarHBondContact O-N 3.37Å; R105-S108 PolarHBondContact O-OG 2.93Å; R105-S108 VanDerWaalsContact O-OG 3.14Å; N106-S108 VanDerWaalsContact C-N 3.28Å; N106-S108 PolarHBondContact O-N 2.92Å; S108-R382 WeakPolarHBondContact O-CB 3.3Å
109E87.3Confident92.5Very high34 Ų3439.5 Ų39.516%0.15921%0.207CC..SBendtrans-136.3169.4-175.664.5-175.8-176.800112.5R105 N106 F111 R382 R384 C523R105-E109 HydrophobicContact CB-CG 4.18Å; R105-E109 IonicContact NH1-OE1 3.33Å; R105-E109 PolarHBondContact NH1-OE1 3.05Å; R105-E109 VanDerWaalsContact O-CG 3.3Å; R105-E109 WeakPolarHBondContact O-CG 3.18Å; R105-E109 PolarHBondContact O-N 2.81Å; N106-E109 CarbonylContact C-O 3.52Å; N106-E109 WeakPolarHBondContact CA-O 3.42Å; N106-E109 VanDerWaalsContact O-O 3.08Å; E109-F111 HydrophobicContact CG-CB 4.44Å; E109-F111 PolarHBondContact O-N 3.2Å; E109-R382 IonicContact OE2-CZ 2.72Å; E109-R382 IonicContact OE2-NH1 3.41Å; E109-R382 PolarHBondContact OE2-NH1 3.03Å; E109-R384 PolarHBondContact O-NH2 3.45Å; E109-C523 VanDerWaalsContact CA-SG 3.54Å
110D86.1Confident92.4Very high125 Ų12539.3 Ų39.367%0.66821%0.209SC*.  trans-86.187.6172.3-164.819.6000108.7T112D110-T112 PolarHBondContact O-N 2.9Å
111F89.1Confident92.4Very high11 Ų1142.2 Ų42.25%0.04823%0.229CC..  trans-85.1110.3-173-174.6-102.1000111.1F40 Y102 R105 E109 L113 F114F40-F111 AromaticContact CD2-CE2 3.9Å; F40-F111 HydrophobicContact CD2-CE2 3.9Å; F40-F111 HydrophobicContact CD2-CZ 4.47Å; F40-F111 HydrophobicContact CE2-CD2 4.45Å; F40-F111 AromaticContact CE2-CE2 3.39Å; F40-F111 HydrophobicContact CE2-CE2 3.39Å; F40-F111 AromaticContact CE2-CZ 3.81Å; F40-F111 HydrophobicContact CE2-CZ 3.81Å; F40-F111 AromaticContact CZ-CE2 3.97Å; F40-F111 HydrophobicContact CZ-CE2 3.97Å; F40-F111 AromaticContact CZ-CZ 3.88Å; F40-F111 HydrophobicContact CZ-CZ 3.88Å; Y102-F111 AromaticContact CD2-CD1 3.56Å; Y102-F111 HydrophobicContact CD2-CD1 3.56Å; Y102-F111 AromaticContact CD2-CE1 3.91Å; Y102-F111 HydrophobicContact CD2-CE1 3.91Å; Y102-F111 AromaticContact CE2-CD1 3.85Å; Y102-F111 HydrophobicContact CE2-CD1 3.85Å; R105-F111 HydrophobicContact CB-CB 4.05Å; R105-F111 HydrophobicContact CB-CD2 3.95Å; R105-F111 HydrophobicContact CB-CG 4Å; E109-F111 HydrophobicContact CG-CB 4.44Å; E109-F111 PolarHBondContact O-N 3.2Å; F111-L113 HydrophobicContact CD2-CG 4.45Å; F111-L113 HydrophobicContact CE1-CB 4.17Å; F111-L113 HydrophobicContact CE2-CB 3.98Å; F111-L113 HydrophobicContact CE2-CD1 3.64Å; F111-L113 HydrophobicContact CE2-CG 3.75Å; F111-L113 HydrophobicContact CZ-CB 3.65Å; F111-L113 HydrophobicContact CZ-CD1 3.94Å; F111-L113 HydrophobicContact CZ-CG 3.97Å; F111-F114 AromaticContact CE1-CD1 3.75Å; F111-F114 HydrophobicContact CE1-CD1 3.75Å; F111-F114 HydrophobicContact CE1-CD2 4.29Å; F111-F114 AromaticContact CE1-CE1 3.59Å; F111-F114 HydrophobicContact CE1-CE1 3.59Å; F111-F114 HydrophobicContact CE1-CE2 4.15Å; F111-F114 HydrophobicContact CE1-CG 4.11Å; F111-F114 AromaticContact CE1-CZ 3.79Å; F111-F114 HydrophobicContact CE1-CZ 3.79Å; F111-F114 AromaticContact CZ-CD1 3.81Å; F111-F114 HydrophobicContact CZ-CD1 3.81Å; F111-F114 AromaticContact CZ-CE1 3.47Å; F111-F114 HydrophobicContact CZ-CE1 3.47Å; F111-F114 VanDerWaalsContact CZ-CE1 3.47Å; F111-F114 HydrophobicContact CZ-CZ 4.01Å
112T89.1Confident92.5Very high106 Ų10641.9 Ų41.965%0.6523%0.228SC*.  trans-117.57.9-173.165.80000114.5D110D110-T112 PolarHBondContact O-N 2.9Å
113L92.4Very high92.6Very high40 Ų4040.3 Ų40.321%0.20922%0.221CC..SBendtrans-68-50.6-176.5-60.2-174.8000111.2W36 F40 M42 Y73 F111W36-L113 HydrophobicContact CH2-CB 4.15Å; W36-L113 HydrophobicContact CH2-CD1 3.79Å; W36-L113 HydrophobicContact CH2-CG 4.43Å; W36-L113 HydrophobicContact CZ2-CD1 4.22Å; W36-L113 HydrophobicContact CZ3-CB 4.4Å; W36-L113 HydrophobicContact CZ3-CD1 4.31Å; F40-L113 HydrophobicContact CB-CD1 3.48Å; F40-L113 VanDerWaalsContact CB-CD1 3.48Å; F40-L113 HydrophobicContact CD1-CD1 4.27Å; F40-L113 HydrophobicContact CD2-CD1 3.66Å; F40-L113 HydrophobicContact CE2-CD1 4.34Å; F40-L113 HydrophobicContact CG-CD1 3.57Å; M42-L113 HydrophobicContact CE-CD2 3.49Å; M42-L113 VanDerWaalsContact CE-CD2 3.49Å; Y73-L113 VanDerWaalsContact CD2-O 3.24Å; Y73-L113 WeakPolarHBondContact CD2-O 3.22Å; F111-L113 HydrophobicContact CD2-CG 4.45Å; F111-L113 HydrophobicContact CE1-CB 4.17Å; F111-L113 HydrophobicContact CE2-CB 3.98Å; F111-L113 HydrophobicContact CE2-CD1 3.64Å; F111-L113 HydrophobicContact CE2-CG 3.75Å; F111-L113 HydrophobicContact CZ-CB 3.65Å; F111-L113 HydrophobicContact CZ-CD1 3.94Å; F111-L113 HydrophobicContact CZ-CG 3.97Å
114F93.6Very high92.7Very high0 Ų043.1 Ų43.10%024%0.239CC..  trans-141.9157.6173.462.6-94.3000109.7W36 F40 P72 M98 L101 Y102 F111 D118 V119W36-F114 HydrophobicContact CZ3-CD1 4.25Å; F40-F114 HydrophobicContact CE1-CE1 4.34Å; F40-F114 HydrophobicContact CZ-CE1 4.44Å; P72-F114 HydrophobicContact CB-CB 4.11Å; P72-F114 HydrophobicContact CB-CD2 4.06Å; P72-F114 HydrophobicContact CB-CG 4.07Å; M98-F114 HydrophobicContact CE-CE1 3.99Å; M98-F114 HydrophobicContact CE-CE2 3.94Å; M98-F114 HydrophobicContact CE-CZ 3.48Å; M98-F114 VanDerWaalsContact CE-CZ 3.48Å; L101-F114 HydrophobicContact CD2-CZ 4.36Å; Y102-F114 HydrophobicContact CD2-CD2 4.36Å; Y102-F114 HydrophobicContact CD2-CE2 4.27Å; Y102-F114 VanDerWaalsContact CD2-O 3.23Å; Y102-F114 WeakPolarHBondContact CD2-O 3.49Å; Y102-F114 WeakPolarHBondContact CE2-O 3.33Å; F111-F114 AromaticContact CE1-CD1 3.75Å; F111-F114 HydrophobicContact CE1-CD1 3.75Å; F111-F114 HydrophobicContact CE1-CD2 4.29Å; F111-F114 AromaticContact CE1-CE1 3.59Å; F111-F114 HydrophobicContact CE1-CE1 3.59Å; F111-F114 HydrophobicContact CE1-CE2 4.15Å; F111-F114 HydrophobicContact CE1-CG 4.11Å; F111-F114 AromaticContact CE1-CZ 3.79Å; F111-F114 HydrophobicContact CE1-CZ 3.79Å; F111-F114 AromaticContact CZ-CD1 3.81Å; F111-F114 HydrophobicContact CZ-CD1 3.81Å; F111-F114 AromaticContact CZ-CE1 3.47Å; F111-F114 HydrophobicContact CZ-CE1 3.47Å; F111-F114 VanDerWaalsContact CZ-CE1 3.47Å; F111-F114 HydrophobicContact CZ-CZ 4.01Å; F114-D118 HydrophobicContact CB-CB 4.19Å; F114-V119 HydrophobicContact CD2-CG2 3.8Å; F114-V119 HydrophobicContact CE2-CG2 3.83Å
115T94.6Very high92.8Very high51 Ų5146.6 Ų46.631%0.31325%0.254SS..  trans-107.9169.3178.8610000111.2D117 D118 V119T115-D117 PolarHBondContact O-N 3.07Å; T115-D118 PolarHBondContact N-OD2 2.79Å; T115-D118 WeakPolarHBondContact O-CB 3.46Å; T115-D118 PolarHBondContact O-N 3.11Å; T115-D118 VanDerWaalsContact O-N 3.16Å; T115-D118 VanDerWaalsContact OG1-CG 3.25Å; T115-D118 PolarHBondContact OG1-N 2.88Å; T115-D118 PolarHBondContact OG1-OD2 3.36Å; T115-V119 PolarHBondContact O-N 3Å; T115-V119 VanDerWaalsContact O-N 3.13Å
116L94.9Very high93.1Very high61 Ų6146.2 Ų46.232%0.31925%0.253SS..Hα-helixtrans-61.3-34.5173-64.2176000111.8Y99 Y102 D118 V119 D120Y99-L116 HydrophobicContact CD1-CD2 3.46Å; Y99-L116 VanDerWaalsContact CD1-CD2 3.46Å; Y99-L116 HydrophobicContact CE1-CD2 3.98Å; Y99-L116 HydrophobicContact CG-CD2 4.34Å; Y102-L116 HydrophobicContact CD1-CD1 4.16Å; Y102-L116 HydrophobicContact CD1-CD2 3.49Å; Y102-L116 VanDerWaalsContact CD1-CD2 3.49Å; Y102-L116 HydrophobicContact CD1-CG 3.61Å; Y102-L116 HydrophobicContact CE1-CD1 4.1Å; Y102-L116 HydrophobicContact CE1-CD2 4.16Å; Y102-L116 HydrophobicContact CE1-CG 3.73Å; Y102-L116 HydrophobicContact CG-CD2 3.88Å; Y102-L116 HydrophobicContact CG-CG 4.24Å; L116-D118 VanDerWaalsContact C-N 3.32Å; L116-D118 PolarHBondContact O-N 3.34Å; L116-V119 WeakPolarHBondContact O-CA 3.17Å; L116-V119 VanDerWaalsContact O-CB 3.31Å; L116-V119 WeakPolarHBondContact O-CB 3.11Å; L116-V119 PolarHBondContact O-N 3.21Å; L116-V119 VanDerWaalsContact O-N 3.09Å; L116-D120 PolarHBondContact O-N 3.1Å
117D95.3Very high93.4Very high118 Ų11848.5 Ų48.563%0.63126%0.263SS*.Hα-helixtrans-65.1-36.3175-58.6-23000112T115 V119 D120 S121T115-D117 PolarHBondContact O-N 3.07Å; D117-V119 VanDerWaalsContact C-N 3.29Å; D117-D120 PolarHBondContact O-N 2.81Å; D117-S121 VanDerWaalsContact O-CB 3.26Å; D117-S121 WeakPolarHBondContact O-CB 3.02Å; D117-S121 PolarHBondContact O-N 2.82Å; D117-S121 PolarHBondContact O-OG 3.11Å
118D95.8Very high93.9Very high16 Ų1650.4 Ų50.49%0.08627%0.27CS..Hα-helixtrans-66.4-34.4173.7-63.5-58.4000110.7P72 K77 F114 T115 L116 A122P72-D118 HydrophobicContact CB-CB 4.33Å; K77-D118 IonicContact NZ-OD1 3.68Å; K77-D118 PolarHBondContact NZ-OD1 3.34Å; K77-D118 IonicContact NZ-OD2 3.66Å; K77-D118 PolarHBondContact NZ-OD2 2.98Å; F114-D118 HydrophobicContact CB-CB 4.19Å; T115-D118 PolarHBondContact N-OD2 2.79Å; T115-D118 WeakPolarHBondContact O-CB 3.46Å; T115-D118 PolarHBondContact O-N 3.11Å; T115-D118 VanDerWaalsContact O-N 3.16Å; T115-D118 VanDerWaalsContact OG1-CG 3.25Å; T115-D118 PolarHBondContact OG1-N 2.88Å; T115-D118 PolarHBondContact OG1-OD2 3.36Å; L116-D118 VanDerWaalsContact C-N 3.32Å; L116-D118 PolarHBondContact O-N 3.34Å; D118-A122 WeakPolarHBondContact O-CB 3.48Å; D118-A122 PolarHBondContact O-N 3.17Å; D118-A122 VanDerWaalsContact O-N 3.15Å
119V96.9Very high94.5Very high0 Ų049.8 Ų49.80%027%0.266CS..Hα-helixtrans-64-53.2173.31780000109.6P72 Q95 M98 Y99 F114 T115 L116 D117 S121 A122 F123P72-V119 HydrophobicContact CB-CG2 4.11Å; P72-V119 HydrophobicContact CG-CG2 3.96Å; Q95-V119 HydrophobicContact CG-CG1 4.32Å; M98-V119 HydrophobicContact CB-CG1 3.74Å; M98-V119 HydrophobicContact CB-CG2 3.93Å; Y99-V119 HydrophobicContact CD1-CB 4.47Å; Y99-V119 HydrophobicContact CD1-CG1 4.04Å; Y99-V119 HydrophobicContact CE1-CB 4.27Å; Y99-V119 HydrophobicContact CE1-CG1 3.92Å; F114-V119 HydrophobicContact CD2-CG2 3.8Å; F114-V119 HydrophobicContact CE2-CG2 3.83Å; T115-V119 PolarHBondContact O-N 3Å; T115-V119 VanDerWaalsContact O-N 3.13Å; L116-V119 WeakPolarHBondContact O-CA 3.17Å; L116-V119 VanDerWaalsContact O-CB 3.31Å; L116-V119 WeakPolarHBondContact O-CB 3.11Å; L116-V119 PolarHBondContact O-N 3.21Å; L116-V119 VanDerWaalsContact O-N 3.09Å; D117-V119 VanDerWaalsContact C-N 3.29Å; V119-S121 VanDerWaalsContact C-N 3.34Å; V119-S121 PolarHBondContact O-N 3.05Å; V119-A122 PolarHBondContact O-N 3.32Å; V119-A122 VanDerWaalsContact O-N 3.11Å; V119-F123 HydrophobicContact CG1-CD2 3.81Å; V119-F123 HydrophobicContact CG1-CE2 3.99Å; V119-F123 VanDerWaalsContact O-CD2 3.28Å; V119-F123 WeakPolarHBondContact O-CD2 3.13Å; V119-F123 PolarHBondContact O-N 3.25Å
120D96.4Very high95Very high49 Ų4954.2 Ų54.226%0.26228%0.284SS..Hα-helixtrans-60.8-45.1-178.1-67.7-19.4000111.6Q95 Y99 L116 D117 A122 F123 D124Q95-D120 PolarHBondContact NE2-OD1 3Å; Q95-D120 VanDerWaalsContact NE2-OD1 3.1Å; Y99-D120 WeakPolarHBondContact CE1-OD1 3.42Å; Y99-D120 PolarHBondContact OH-OD1 3.09Å; Y99-D120 PolarHBondContact OH-OD2 3.38Å; L116-D120 PolarHBondContact O-N 3.1Å; D117-D120 PolarHBondContact O-N 2.81Å; D120-A122 PolarHBondContact O-N 3.24Å; D120-F123 PolarHBondContact O-N 3.21Å; D120-D124 WeakPolarHBondContact O-CB 3.47Å; D120-D124 VanDerWaalsContact O-CG 3.25Å; D120-D124 PolarHBondContact O-N 2.95Å
121S95.7Very high95.6Very high60 Ų6051 Ų5142%0.4226%0.263SS..Hα-helixtrans-58.3-34.4176.4-61.20000113.4D117 V119D117-S121 VanDerWaalsContact O-CB 3.26Å; D117-S121 WeakPolarHBondContact O-CB 3.02Å; D117-S121 PolarHBondContact O-N 2.82Å; D117-S121 PolarHBondContact O-OG 3.11Å; V119-S121 VanDerWaalsContact C-N 3.34Å; V119-S121 PolarHBondContact O-N 3.05Å
122A96.4Very high95.9Very high0 Ų054.2 Ų54.20%029%0.287CS..Hα-helixtrans-76-44.2177.400000112.1L71 V75 D118 V119 D120 K125L71-A122 HydrophobicContact CG-CB 4.22Å; V75-A122 HydrophobicContact CB-CB 3.95Å; V75-A122 HydrophobicContact CG1-CB 4.38Å; V75-A122 HydrophobicContact CG2-CB 3.92Å; D118-A122 WeakPolarHBondContact O-CB 3.48Å; D118-A122 PolarHBondContact O-N 3.17Å; D118-A122 VanDerWaalsContact O-N 3.15Å; V119-A122 PolarHBondContact O-N 3.32Å; V119-A122 VanDerWaalsContact O-N 3.11Å; D120-A122 PolarHBondContact O-N 3.24Å; A122-K125 PolarHBondContact O-N 2.92Å
123F97.2Very high96.3Very high1 Ų152.7 Ų52.70%0.00427%0.273CS..Hα-helixtrans-71.7-31.2-177.8-83.5-99.7000112.2L68 Y91 G94 Q95 M98 V119 D120 K125 I126L68-F123 HydrophobicContact CD1-CZ 4.12Å; L68-F123 HydrophobicContact CD2-CZ 4.27Å; Y91-F123 HydrophobicContact CD2-CB 4.27Å; Y91-F123 AromaticContact CD2-CD1 3.76Å; Y91-F123 HydrophobicContact CD2-CD1 3.76Å; Y91-F123 HydrophobicContact CE2-CB 3.85Å; Y91-F123 HydrophobicContact CE2-CD1 4.12Å; Y91-F123 VanDerWaalsContact CE2-O 3.23Å; Y91-F123 WeakPolarHBondContact CE2-O 3.4Å; Y91-F123 VanDerWaalsContact O-CD1 3.3Å; Y91-F123 WeakPolarHBondContact O-CD1 3.29Å; Y91-F123 WeakPolarHBondContact O-CE1 3.35Å; G94-F123 VanDerWaalsContact C-CE1 3.47Å; Q95-F123 HydrophobicContact CB-CD1 3.84Å; Q95-F123 HydrophobicContact CB-CE1 3.95Å; Q95-F123 HydrophobicContact CB-CG 4.26Å; Q95-F123 HydrophobicContact CB-CZ 4.4Å; Q95-F123 HydrophobicContact CG-CD1 4.44Å; Q95-F123 HydrophobicContact CG-CG 4.38Å; M98-F123 HydrophobicContact CB-CE2 4.44Å; M98-F123 HydrophobicContact CG-CE2 3.9Å; M98-F123 HydrophobicContact CG-CZ 4.13Å; V119-F123 HydrophobicContact CG1-CD2 3.81Å; V119-F123 HydrophobicContact CG1-CE2 3.99Å; V119-F123 VanDerWaalsContact O-CD2 3.28Å; V119-F123 WeakPolarHBondContact O-CD2 3.13Å; V119-F123 PolarHBondContact O-N 3.25Å; D120-F123 PolarHBondContact O-N 3.21Å; F123-K125 PolarHBondContact O-N 3.23Å; F123-I126 HydrophobicContact CB-CD1 4.36Å; F123-I126 HydrophobicContact CD1-CD1 3.64Å; F123-I126 HydrophobicContact CE1-CD1 4Å; F123-I126 HydrophobicContact CG-CD1 4Å; F123-I126 VanDerWaalsContact O-CB 3.26Å; F123-I126 WeakPolarHBondContact O-CB 3.31Å; F123-I126 WeakPolarHBondContact O-CG1 3.26Å; F123-I126 PolarHBondContact O-N 2.83Å
124D95.8Very high96.5Very high122 Ų12256.2 Ų56.265%0.65229%0.29SS*.THydrogen-bonded Turntrans-64.3-23.7175.9-75.8-14.5000113.7D120 I126D120-D124 WeakPolarHBondContact O-CB 3.47Å; D120-D124 VanDerWaalsContact O-CG 3.25Å; D120-D124 PolarHBondContact O-N 2.95Å; D124-I126 VanDerWaalsContact C-N 3.27Å; D124-I126 PolarHBondContact O-N 2.84Å
125K95.9Very high96.6Very high74 Ų7456.9 Ų56.932%0.32230%0.295SS..THydrogen-bonded Turntrans-80.9-4.9174.4-65-172.6-173.2-168.90113.5V75 L80 N81 I84 A122 F123 Q127V75-K125 HydrophobicContact CG1-CD 4.04Å; L80-K125 PolarHBondContact O-NZ 2.93Å; N81-K125 PolarHBondContact OD1-NZ 3.38Å; I84-K125 HydrophobicContact CD1-CB 4.05Å; A122-K125 PolarHBondContact O-N 2.92Å; F123-K125 PolarHBondContact O-N 3.23Å; K125-Q127 PolarHBondContact O-N 3.07Å
126I98Very high96.7Very high12 Ų1260 Ų606%0.06231%0.309CS..EExtended strand (participates in β ladder)trans-81.2120-176.3-59.5-178.5000110.7L60 L71 I84 A86 Y91 F123 D124 Q128L60-I126 HydrophobicContact CD1-CD1 4.06Å; L71-I126 HydrophobicContact CD2-CD1 4.22Å; I84-I126 HydrophobicContact CB-CG1 3.98Å; I84-I126 HydrophobicContact CD1-CG1 4.31Å; I84-I126 HydrophobicContact CG2-CD1 4.32Å; I84-I126 HydrophobicContact CG2-CG1 3.77Å; I84-I126 CarbonylContact O-C 3.43Å; I84-I126 WeakPolarHBondContact O-CA 3.43Å; A86-I126 HydrophobicContact CB-CG2 3.7Å; Y91-I126 HydrophobicContact CD2-CB 3.97Å; Y91-I126 HydrophobicContact CD2-CD1 4.16Å; Y91-I126 HydrophobicContact CD2-CG2 4.18Å; F123-I126 HydrophobicContact CB-CD1 4.36Å; F123-I126 HydrophobicContact CD1-CD1 3.64Å; F123-I126 HydrophobicContact CE1-CD1 4Å; F123-I126 HydrophobicContact CG-CD1 4Å; F123-I126 VanDerWaalsContact O-CB 3.26Å; F123-I126 WeakPolarHBondContact O-CB 3.31Å; F123-I126 WeakPolarHBondContact O-CG1 3.26Å; F123-I126 PolarHBondContact O-N 2.83Å; D124-I126 VanDerWaalsContact C-N 3.27Å; D124-I126 PolarHBondContact O-N 2.84Å; I126-Q128 PolarHBondContact O-N 3.06Å
127Q98Very high96.6Very high82 Ų8257.4 Ų57.438%0.38330%0.296SS..EExtended strand (participates in β ladder)trans-81.2111.7166.5-173.1172.4-1300110T83 I84 Y85 A86 K125 L129T83-Q127 HydrophobicContact CG2-CB 4.13Å; I84-Q127 PolarHBondContact O-N 2.85Å; Y85-Q127 HydrophobicContact CD1-CB 4.03Å; Y85-Q127 HydrophobicContact CD1-CG 4.32Å; Y85-Q127 HydrophobicContact CE1-CB 4.22Å; Y85-Q127 HydrophobicContact CE1-CG 4.31Å; Y85-Q127 VanDerWaalsContact CE1-OE1 3.23Å; A86-Q127 PolarHBondContact N-O 2.67Å; K125-Q127 PolarHBondContact O-N 3.07Å; Q127-L129 HydrophobicContact CG-CD2 4.22Å
128Q98.1Very high96.3Very high83 Ų8360.8 Ų60.839%0.38831%0.305SS..EExtended strand (participates in β ladder)trans-78.1127.1-177.8-63.1166.255.700111.5A86 I88 Y91 I126A86-Q128 CarbonylContact O-C 3.27Å; A86-Q128 WeakPolarHBondContact O-CA 3.49Å; I88-Q128 HydrophobicContact CG1-CB 4.07Å; Y91-Q128 HydrophobicContact CD1-CG 3.81Å; Y91-Q128 HydrophobicContact CD2-CG 4.4Å; Y91-Q128 HydrophobicContact CE1-CG 4.42Å; Y91-Q128 VanDerWaalsContact CE1-NE2 3.33Å; Y91-Q128 HydrophobicContact CG-CG 3.81Å; I126-Q128 PolarHBondContact O-N 3.06Å
129L98.3Very high96Very high0 Ų063.1 Ų63.10%033%0.333CS..EExtended strand (participates in β ladder)trans-115.2160.9-179.3-55.4-171.5000112.5Y85 A86 T87 I88 Q127 V135 I146 P148 W160 W286Y85-L129 HydrophobicContact CD1-CD1 4.08Å; Y85-L129 HydrophobicContact CD1-CD2 4.37Å; Y85-L129 HydrophobicContact CD1-CG 4.42Å; A86-L129 PolarHBondContact O-N 3.17Å; T87-L129 VanDerWaalsContact CA-O 3.29Å; T87-L129 WeakPolarHBondContact CA-O 3.24Å; I88-L129 PolarHBondContact N-O 3.15Å; Q127-L129 HydrophobicContact CG-CD2 4.22Å; L129-V135 HydrophobicContact CD1-CG2 3.86Å; L129-V135 HydrophobicContact CD2-CG2 3.59Å; L129-V135 HydrophobicContact CG-CG2 4.39Å; L129-I146 HydrophobicContact CD1-CD1 4.38Å; L129-P148 HydrophobicContact CB-CG 4.08Å; L129-P148 HydrophobicContact CD1-CG 4.21Å; L129-W160 HydrophobicContact CD1-CH2 3.76Å; L129-W160 HydrophobicContact CD1-CZ3 3.9Å; L129-W286 WeakPolarHBondContact O-CH2 3.25Å
130K98.1Very high95.5Very high127 Ų12770.1 Ų70.155%0.55236%0.363SS*.  trans-102.6154.9167.9-66-174.8-178.6-177.40111I88 S132 Q133 P148 W286I88-K130 HydrophobicContact CD1-CG 4.18Å; K130-S132 PolarHBondContact O-N 3.05Å; K130-Q133 HydrophobicContact CB-CB 4.42Å; K130-Q133 WeakPolarHBondContact O-CB 3.28Å; K130-Q133 PolarHBondContact O-N 2.86Å; K130-Q133 VanDerWaalsContact O-N 3.16Å; K130-P148 VanDerWaalsContact O-CG 3.28Å; K130-P148 WeakPolarHBondContact O-CG 3.21Å; K130-W286 HydrophobicContact CB-CH2 4.5Å; K130-W286 HydrophobicContact CG-CZ2 4.21Å
131Y97.3Very high94.9Very high57 Ų5767.8 Ų67.822%0.22435%0.351CS..THydrogen-bonded Turntrans-55.4142.4171.9-70.4-48.4000111.5T87 Q133 P148 P150 G156 G157 T158 W286T87-Y131 HydrophobicContact CG2-CD1 4.28Å; T87-Y131 HydrophobicContact CG2-CE1 4.18Å; Y131-Q133 PolarHBondContact O-N 2.68Å; Y131-P148 WeakPolarHBondContact CA-O 3.43Å; Y131-P150 HydrophobicContact CD1-CB 4.34Å; Y131-P150 HydrophobicContact CD2-CB 4.35Å; Y131-P150 VanDerWaalsContact CE1-CA 3.44Å; Y131-P150 HydrophobicContact CE1-CB 3.98Å; Y131-P150 HydrophobicContact CE2-CB 3.97Å; Y131-G156 VanDerWaalsContact OH-CA 3.22Å; Y131-G156 WeakPolarHBondContact OH-CA 3.47Å; Y131-G156 PolarHBondContact OH-O 2.85Å; Y131-G157 WeakPolarHBondContact CE1-O 3.42Å; Y131-G157 PolarHBondContact OH-N 3.22Å; Y131-G157 PolarHBondContact OH-O 2.9Å; Y131-T158 HydrophobicContact CE1-CG2 4.03Å; Y131-W286 HydrophobicContact CD1-CZ3 4.04Å; Y131-W286 AromaticContact CD2-CE3 3.54Å; Y131-W286 HydrophobicContact CD2-CE3 3.54Å; Y131-W286 HydrophobicContact CD2-CH2 4.47Å; Y131-W286 AromaticContact CD2-CZ3 3.44Å; Y131-W286 HydrophobicContact CD2-CZ3 3.44Å; Y131-W286 VanDerWaalsContact CD2-CZ3 3.44Å; Y131-W286 HydrophobicContact CE1-CZ3 4.01Å; Y131-W286 HydrophobicContact CE2-CD2 4.45Å; Y131-W286 AromaticContact CE2-CE3 3.24Å; Y131-W286 HydrophobicContact CE2-CE3 3.24Å; Y131-W286 AromaticContact CE2-CZ3 3.42Å; Y131-W286 HydrophobicContact CE2-CZ3 3.42Å; Y131-W286 VanDerWaalsContact CE2-CZ3 3.42Å; Y131-W286 HydrophobicContact CG-CE3 4.33Å; Y131-W286 AromaticContact CG-CZ3 3.76Å; Y131-W286 HydrophobicContact CG-CZ3 3.76Å; Y131-W286 AromaticContact CZ-CE3 3.8Å; Y131-W286 AromaticContact CZ-CZ3 3.71Å
132S95.8Very high94.5Very high79 Ų7971.9 Ų71.955%0.55236%0.363SS*.THydrogen-bonded Turntrans60.310.5-178.1-53.80000115.1K130 I134 P148K130-S132 PolarHBondContact O-N 3.05Å; S132-I134 PolarHBondContact O-N 3.34Å; S132-P148 PolarHBondContact N-O 3.24Å
133Q96.9Very high94.1Very high75 Ų7572.4 Ų72.435%0.3537%0.368SS..  trans-74.3119.7171.1-176.9-178.7-12.900109.7K130 Y131 V135 P148K130-Q133 HydrophobicContact CB-CB 4.42Å; K130-Q133 WeakPolarHBondContact O-CB 3.28Å; K130-Q133 PolarHBondContact O-N 2.86Å; K130-Q133 VanDerWaalsContact O-N 3.16Å; Y131-Q133 PolarHBondContact O-N 2.68Å; Q133-V135 HydrophobicContact CG-CG2 4.27Å; Q133-P148 VanDerWaalsContact O-CD 3.3Å; Q133-P148 WeakPolarHBondContact O-CD 3.36Å
134I96.7Very high93.9Very high113 Ų11372.5 Ų72.558%0.57937%0.369SS*.  trans-83.6124.5174.8-54.7175.1000108.3S132S132-I134 PolarHBondContact O-N 3.34Å
135V97.1Very high93.9Very high15 Ų1567.4 Ų67.49%0.09134%0.343CS..EExtended strand (participates in β ladder)trans-117115.5175-179.50000109Y85 L129 Q133 S145 I146Y85-V135 HydrophobicContact CE1-CG1 3.98Å; L129-V135 HydrophobicContact CD1-CG2 3.86Å; L129-V135 HydrophobicContact CD2-CG2 3.59Å; L129-V135 HydrophobicContact CG-CG2 4.39Å; Q133-V135 HydrophobicContact CG-CG2 4.27Å; V135-S145 CarbonylContact O-C 3.54Å; V135-S145 VanDerWaalsContact O-CA 3.28Å; V135-S145 WeakPolarHBondContact O-CA 3.47Å; V135-I146 HydrophobicContact CB-CD1 4.32Å; V135-I146 HydrophobicContact CB-CG1 3.76Å; V135-I146 HydrophobicContact CG1-CG1 4.39Å; V135-I146 PolarHBondContact N-O 3.23Å; V135-I146 PolarHBondContact O-N 3.27Å
136N95.6Very high94Very high116 Ų11663.9 Ų63.962%0.6233%0.327SS*.EExtended strand (participates in β ladder)trans-85.1124.6175.6-61.9-23.6000109.5S145N136-S145 WeakPolarHBondContact OD1-CB 3.39Å
137L93.6Very high94Very high7 Ų763.8 Ų63.84%0.03733%0.327CS..  trans-76.4152.8-179.7-59.6-177.8000111.1F28 F30 Y85 G141 L144 I146F28-L137 HydrophobicContact CD1-CD1 4.46Å; F28-L137 HydrophobicContact CE1-CD1 3.82Å; F28-L137 HydrophobicContact CE2-CD1 4.43Å; F28-L137 HydrophobicContact CZ-CD1 3.78Å; F30-L137 HydrophobicContact CE1-CD1 3.55Å; F30-L137 HydrophobicContact CZ-CD1 3.4Å; Y85-L137 HydrophobicContact CE2-CD2 3.98Å; Y85-L137 WeakPolarHBondContact OH-CD2 3.4Å; L137-G141 WeakPolarHBondContact CB-O 3.37Å; L137-L144 HydrophobicContact CB-CB 4.36Å; L137-L144 HydrophobicContact CD1-CB 3.9Å; L137-L144 HydrophobicContact CD1-CD1 4.46Å; L137-L144 HydrophobicContact CG-CB 4.36Å; L137-L144 PolarHBondContact N-O 3.29Å; L137-I146 HydrophobicContact CD1-CG2 4.34Å; L137-I146 HydrophobicContact CD2-CD1 4.33Å
138K89.1Confident94Very high189 Ų18959.9 Ų59.982%0.82231%0.309SS*.  trans-113.8165.1-177.9-61.9-176.7-179.3-1800110.7G141K138-G141 PolarHBondContact O-N 3.38Å
139G89.1Confident93.9Very high65 Ų6556.5 Ų56.567%0.6729%0.294SS*.G310 helixtrans69.3-130.4178.300000111.9G141 H142G139-G141 PolarHBondContact O-N 3.26Å; G139-G141 VanDerWaalsContact O-N 3.11Å; G139-H142 WeakPolarHBondContact O-CB 3.46Å; G139-H142 PolarHBondContact O-N 3.47Å
140K85.6Confident93.9Very high146 Ų14657.8 Ų57.864%0.63530%0.302SS*.G310 helixtrans-58.2-24.9178.9-61.7-178.2-171.3167.40113.5F28 D56 H142F28-K140 HydrophobicContact CD2-CB 4.18Å; D56-K140 IonicContact OD1-NZ 3.44Å; D56-K140 PolarHBondContact OD1-NZ 3.05Å; K140-H142 PolarHBondContact O-N 3.09Å
141G84.6Confident93.8Very high0 Ų051.8 Ų51.80%028%0.276CS..G310 helixtrans-85.316.2178.200000114F28 L137 K138 G139 G143 L144F28-G141 VanDerWaalsContact CD2-N 3.34Å; L137-G141 WeakPolarHBondContact CB-O 3.37Å; K138-G141 PolarHBondContact O-N 3.38Å; G139-G141 PolarHBondContact O-N 3.26Å; G139-G141 VanDerWaalsContact O-N 3.11Å; G141-G143 PolarHBondContact O-N 3.1Å; G141-L144 VanDerWaalsContact O-CB 3.3Å; G141-L144 WeakPolarHBondContact O-CB 3.49Å; G141-L144 PolarHBondContact O-N 3.31Å
142H87.9Confident93.7Very high147 Ų14749.2 Ų49.268%0.68127%0.267SS*.THydrogen-bonded Turntrans-57.6135.7-178.7-168.263000111.6G139 K140 L144 K164G139-H142 WeakPolarHBondContact O-CB 3.46Å; G139-H142 PolarHBondContact O-N 3.47Å; K140-H142 PolarHBondContact O-N 3.09Å; H142-L144 VanDerWaalsContact C-N 3.26Å; H142-L144 PolarHBondContact O-N 3.46Å; H142-K164 PolarHBondContact O-NZ 2.9Å
143G87.2Confident93.7Very high11 Ų1145.5 Ų45.511%0.11324%0.241CC..THydrogen-bonded Turntrans73.87.7-172.700000115.4G141 K164 D165G141-G143 PolarHBondContact O-N 3.1Å; G143-K164 CarbonylContact O-C 3.37Å; G143-K164 WeakPolarHBondContact O-CA 3.45Å; G143-D165 WeakPolarHBondContact CA-OD2 3.37Å; G143-D165 PolarHBondContact O-N 3.44Å
144L94.1Very high93.7Very high3 Ų342 Ų422%0.01623%0.225CC..EExtended strand (participates in β ladder)trans-96.3136.5165.9-68.9168.1000110.1V25 F28 F30 L137 G141 H142 I162 V163 K164V25-L144 HydrophobicContact CB-CD1 4.47Å; V25-L144 HydrophobicContact CB-CD2 4.3Å; V25-L144 HydrophobicContact CG1-CD2 3.81Å; F28-L144 HydrophobicContact CB-CD1 3.73Å; F28-L144 HydrophobicContact CD1-CD1 3.91Å; F28-L144 HydrophobicContact CG-CD1 3.82Å; F30-L144 HydrophobicContact CE2-CD1 3.96Å; F30-L144 HydrophobicContact CZ-CD1 4.1Å; L137-L144 HydrophobicContact CB-CB 4.36Å; L137-L144 HydrophobicContact CD1-CB 3.9Å; L137-L144 HydrophobicContact CD1-CD1 4.46Å; L137-L144 HydrophobicContact CG-CB 4.36Å; L137-L144 PolarHBondContact N-O 3.29Å; G141-L144 VanDerWaalsContact O-CB 3.3Å; G141-L144 WeakPolarHBondContact O-CB 3.49Å; G141-L144 PolarHBondContact O-N 3.31Å; H142-L144 VanDerWaalsContact C-N 3.26Å; H142-L144 PolarHBondContact O-N 3.46Å; L144-I162 HydrophobicContact CD2-CG2 4.41Å; L144-V163 CarbonylContact C-O 3.57Å; L144-V163 WeakPolarHBondContact CA-O 3.48Å; L144-K164 HydrophobicContact CD2-CB 3.86Å; L144-K164 HydrophobicContact CD2-CD 3.51Å; L144-K164 HydrophobicContact CD2-CG 4.28Å; L144-K164 HydrophobicContact CG-CD 3.87Å
145S96Very high93.6Very high14 Ų1436.6 Ų36.610%0.09820%0.197CC..EExtended strand (participates in β ladder)trans-125.8142.4170.665.60000110.6V135 N136 I162 V163V135-S145 CarbonylContact O-C 3.54Å; V135-S145 VanDerWaalsContact O-CA 3.28Å; V135-S145 WeakPolarHBondContact O-CA 3.47Å; N136-S145 WeakPolarHBondContact OD1-CB 3.39Å; S145-I162 WeakPolarHBondContact O-CA 3.4Å; S145-V163 PolarHBondContact N-O 2.86Å; S145-V163 PolarHBondContact O-N 2.8Å; S145-V163 PolarHBondContact OG-O 3.46Å
146I97.5Very high93.6Very high0 Ų035.9 Ų35.90%019%0.193CC..EExtended strand (participates in β ladder)trans-115.5142.2175.463.5176.6000109.3F30 L59 Y85 L129 V135 L137 W160 K161 I162F30-I146 HydrophobicContact CE1-CG2 3.87Å; F30-I146 HydrophobicContact CZ-CG2 4.09Å; L59-I146 HydrophobicContact CD1-CG2 4.38Å; L59-I146 HydrophobicContact CD2-CD1 3.76Å; L59-I146 HydrophobicContact CD2-CG2 4.45Å; Y85-I146 HydrophobicContact CD1-CD1 3.71Å; Y85-I146 HydrophobicContact CD2-CD1 3.7Å; Y85-I146 HydrophobicContact CE1-CD1 4.05Å; Y85-I146 HydrophobicContact CE2-CD1 4.06Å; Y85-I146 HydrophobicContact CG-CD1 3.5Å; L129-I146 HydrophobicContact CD1-CD1 4.38Å; V135-I146 HydrophobicContact CB-CD1 4.32Å; V135-I146 HydrophobicContact CB-CG1 3.76Å; V135-I146 HydrophobicContact CG1-CG1 4.39Å; V135-I146 PolarHBondContact N-O 3.23Å; V135-I146 PolarHBondContact O-N 3.27Å; L137-I146 HydrophobicContact CD1-CG2 4.34Å; L137-I146 HydrophobicContact CD2-CD1 4.33Å; I146-W160 HydrophobicContact CB-CE3 4.28Å; I146-W160 HydrophobicContact CB-CZ3 4.26Å; I146-W160 HydrophobicContact CD1-CZ3 3.96Å; I146-W160 HydrophobicContact CG1-CZ3 4.26Å; I146-K161 CarbonylContact C-O 3.13Å; I146-K161 WeakPolarHBondContact CA-O 3.32Å; I146-I162 HydrophobicContact CG2-CG1 4.33Å
147T97.5Very high93.7Very high10 Ų1030.4 Ų30.46%0.06116%0.163CC..EExtended strand (participates in β ladder)trans-140.1116.8177.5-54.30000109.5L149 K161T147-L149 HydrophobicContact CG2-CD2 4.25Å; T147-K161 PolarHBondContact N-O 2.81Å; T147-K161 PolarHBondContact O-N 2.98Å
148P97.9Very high93.8Very high0 Ų030 Ų300%016%0.161CC..EExtended strand (participates in β ladder)trans-80.5130.9174.331.9-32000110.3T87 L129 K130 Y131 S132 Q133 T158 W160T87-P148 HydrophobicContact CG2-CB 4.08Å; T87-P148 HydrophobicContact CG2-CG 4.31Å; L129-P148 HydrophobicContact CB-CG 4.08Å; L129-P148 HydrophobicContact CD1-CG 4.21Å; K130-P148 VanDerWaalsContact O-CG 3.28Å; K130-P148 WeakPolarHBondContact O-CG 3.21Å; Y131-P148 WeakPolarHBondContact CA-O 3.43Å; S132-P148 PolarHBondContact N-O 3.24Å; Q133-P148 VanDerWaalsContact O-CD 3.3Å; Q133-P148 WeakPolarHBondContact O-CD 3.36Å; P148-T158 HydrophobicContact CB-CG2 3.89Å; P148-W160 HydrophobicContact CB-CE3 4.17Å; P148-W160 HydrophobicContact CB-CH2 4.1Å; P148-W160 HydrophobicContact CB-CZ3 3.89Å; P148-W160 HydrophobicContact CG-CH2 4.48Å; P148-W160 HydrophobicContact CG-CZ3 4.22Å
149L97.1Very high94.3Very high13 Ų1321.1 Ų21.17%0.06812%0.123CC..EExtended strand (participates in β ladder)trans-115.5152.2175.8-61.2176.8000109.7T147 A151 T158 I159 K161 I192T147-L149 HydrophobicContact CG2-CD2 4.25Å; L149-A151 PolarHBondContact O-N 3.23Å; L149-T158 CarbonylContact O-C 3.56Å; L149-T158 WeakPolarHBondContact O-CA 3.49Å; L149-I159 HydrophobicContact CB-CB 4.28Å; L149-I159 PolarHBondContact N-O 3.02Å; L149-I159 PolarHBondContact O-N 3.25Å; L149-K161 HydrophobicContact CD1-CB 4.22Å; L149-K161 HydrophobicContact CD1-CD 4.47Å; L149-I192 HydrophobicContact CD1-CD1 3.78Å; L149-I192 HydrophobicContact CD1-CG1 4.17Å
150P97.1Very high94.7Very high27 Ų2718 Ų1818%0.1759%0.091CC..EExtended strand (participates in β ladder)trans-65.9129.6-179.726.7-36.5000113Y131 C187 T188Y131-P150 HydrophobicContact CD1-CB 4.34Å; Y131-P150 HydrophobicContact CD2-CB 4.35Å; Y131-P150 VanDerWaalsContact CE1-CA 3.44Å; Y131-P150 HydrophobicContact CE1-CB 3.98Å; Y131-P150 HydrophobicContact CE2-CB 3.97Å; P150-C187 VanDerWaalsContact O-CA 3.24Å; P150-C187 WeakPolarHBondContact O-CA 3.4Å; P150-C187 WeakPolarHBondContact O-CB 3.36Å; P150-T188 WeakPolarHBondContact CD-OG1 3.29Å; P150-T188 HydrophobicContact CG-CG2 3.54Å; P150-T188 WeakPolarHBondContact CG-OG1 3.25Å; P150-T188 PolarHBondContact O-N 2.96Å
151A96.8Very high95.2Very high0 Ų013.3 Ų13.30%07%0.07CC..  trans-91.2-26.9175.100000113.7L149 H153 G157 I159 F176 N177 C187L149-A151 PolarHBondContact O-N 3.23Å; A151-H153 VanDerWaalsContact C-N 3.33Å; A151-H153 PolarHBondContact O-N 3.07Å; A151-G157 PolarHBondContact N-O 3.25Å; A151-I159 HydrophobicContact CB-CD1 4.45Å; A151-I159 HydrophobicContact CB-CG1 3.9Å; A151-F176 HydrophobicContact CB-CB 4.44Å; A151-F176 WeakPolarHBondContact O-CA 3.33Å; A151-N177 PolarHBondContact O-N 3.39Å; A151-C187 WeakPolarHBondContact O-CB 3.17Å
152G94.8Very high95.8Very high4 Ų413.3 Ų13.34%0.0417%0.07CC..SBendtrans77.94.3175.900000116.5N177 N185G152-N177 WeakPolarHBondContact O-CB 3.39Å; G152-N177 PolarHBondContact O-ND2 3.41Å; G152-N185 WeakPolarHBondContact CA-O 3.37Å
153H95.8Very high96Very high0 Ų07.6 Ų7.60%05%0.046CC..SBendtrans-88.2-56.7-179.1170.259.4000113.5H62 A151 D175 R242 E542 G543H62-H153 AromaticContact CD2-CD2 3.75Å; H62-H153 AromaticContact NE2-CD2 3.92Å; A151-H153 VanDerWaalsContact C-N 3.33Å; A151-H153 PolarHBondContact O-N 3.07Å; H153-D175 WeakPolarHBondContact CB-O 3.31Å; H153-R242 WeakPolarHBondContact O-CD 3.2Å; H153-R242 PolarHBondContact O-NH1 3.38Å; H153-E542 PolarHBondContact CE1-O 3.42Å; H153-E542 PolarHBondContact ND1-O 3.31Å; H153-G543 WeakPolarHBondContact CA-O 3.37Å; H153-G543 PolarHBondContact ND1-O 3.14Å
154M96.4Very high96Very high2 Ų29.1 Ų9.11%0.015%0.049CC..SBendtrans-122.5162.7171.9-64.2-168.8-172.100110.5P63 D64 F97 G156 G157 L184 R242P63-M154 HydrophobicContact CG-CB 4.07Å; P63-M154 HydrophobicContact CG-SD 3.89Å; D64-M154 HydrophobicContact CB-CE 3.83Å; D64-M154 HydrophobicContact CB-SD 3.99Å; D64-M154 VanDerWaalsContact OD2-CE 3.28Å; D64-M154 WeakPolarHBondContact OD2-CE 3.32Å; F97-M154 HydrophobicContact CZ-SD 4.36Å; M154-G156 PolarHBondContact O-N 3.26Å; M154-G157 PolarHBondContact O-N 2.82Å; M154-L184 VanDerWaalsContact C-CD1 3.43Å; M154-R242 HydrophobicContact CE-CG 4.31Å
155I95.9Very high95.5Very high0 Ų014.3 Ų14.30%08%0.077CC..THydrogen-bonded Turntrans-58.5129177.9-169.6172.9000110.6P89 M93 G157 L184 L244 Q283 W286 M287P89-I155 HydrophobicContact CB-CG1 3.94Å; P89-I155 HydrophobicContact CB-CG2 4.3Å; P89-I155 HydrophobicContact CG-CG1 4.29Å; M93-I155 HydrophobicContact CE-CG2 4.4Å; M93-I155 HydrophobicContact CG-CG2 3.76Å; I155-G157 PolarHBondContact O-N 2.87Å; I155-L184 HydrophobicContact CB-CD2 4.43Å; I155-L244 HydrophobicContact CB-CD1 4.4Å; I155-L244 HydrophobicContact CD1-CD1 4.31Å; I155-L244 HydrophobicContact CG2-CD1 3.99Å; I155-Q283 HydrophobicContact CD1-CB 4.32Å; I155-W286 HydrophobicContact CG1-CB 4.38Å; I155-M287 HydrophobicContact CD1-CE 3.59Å; I155-M287 HydrophobicContact CD1-CG 4.37Å
156G95.6Very high94.2Very high0 Ų016.5 Ų16.50%010%0.102CC..THydrogen-bonded Turntrans73-4.2-174.600000115.4T87 Y131 M154 T158T87-G156 PolarHBondContact OG1-O 2.76Å; Y131-G156 VanDerWaalsContact OH-CA 3.22Å; Y131-G156 WeakPolarHBondContact OH-CA 3.47Å; Y131-G156 PolarHBondContact OH-O 2.85Å; M154-G156 PolarHBondContact O-N 3.26Å; G156-T158 WeakPolarHBondContact O-CG2 3.49Å; G156-T158 PolarHBondContact O-N 2.91Å
157G97.3Very high93Very high0 Ų018.6 Ų18.60%011%0.112CC..  trans-52.2136.2-179.900000112.3S61 Y131 A151 M154 I155S61-G157 CarbonylContact O-C 3.59Å; S61-G157 WeakPolarHBondContact O-CA 3.23Å; Y131-G157 WeakPolarHBondContact CE1-O 3.42Å; Y131-G157 PolarHBondContact OH-N 3.22Å; Y131-G157 PolarHBondContact OH-O 2.9Å; A151-G157 PolarHBondContact N-O 3.25Å; M154-G157 PolarHBondContact O-N 2.82Å; I155-G157 PolarHBondContact O-N 2.87Å
158T97.8Very high91.8Very high0 Ų021.1 Ų21.10%012%0.123CC..EExtended strand (participates in β ladder)trans-125.8140.7-168.168.60000114.3L60 S61 T87 Y131 P148 L149 G156 W160L60-T158 PolarHBondContact O-OG1 3.28Å; S61-T158 WeakPolarHBondContact CA-OG1 3.42Å; S61-T158 PolarHBondContact O-N 2.96Å; S61-T158 PolarHBondContact O-OG1 2.77Å; T87-T158 HydrophobicContact CG2-CG2 3.26Å; Y131-T158 HydrophobicContact CE1-CG2 4.03Å; P148-T158 HydrophobicContact CB-CG2 3.89Å; L149-T158 CarbonylContact O-C 3.56Å; L149-T158 WeakPolarHBondContact O-CA 3.49Å; G156-T158 WeakPolarHBondContact O-CG2 3.49Å; G156-T158 PolarHBondContact O-N 2.91Å; T158-W160 PolarHBondContact OG1-NE1 2.94Å
159I97.8Very high91.4Very high1 Ų123.3 Ų23.31%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-96.8127.5158.8-64.1174.8000106.9L149 A151 V171 Y172 A173 F176 C187 L189L149-I159 HydrophobicContact CB-CB 4.28Å; L149-I159 PolarHBondContact N-O 3.02Å; L149-I159 PolarHBondContact O-N 3.25Å; A151-I159 HydrophobicContact CB-CD1 4.45Å; A151-I159 HydrophobicContact CB-CG1 3.9Å; I159-V171 HydrophobicContact CG2-CG1 3.7Å; I159-Y172 CarbonylContact C-O 3.51Å; I159-Y172 WeakPolarHBondContact CA-O 3.43Å; I159-Y172 WeakPolarHBondContact CG2-O 3.48Å; I159-A173 HydrophobicContact CB-CB 4.46Å; I159-A173 HydrophobicContact CD1-CB 4.12Å; I159-A173 HydrophobicContact CG1-CB 4.06Å; I159-A173 HydrophobicContact CG2-CB 3.72Å; I159-F176 HydrophobicContact CD1-CB 3.95Å; I159-F176 HydrophobicContact CG1-CB 4.47Å; I159-C187 HydrophobicContact CD1-CB 4.09Å; I159-L189 HydrophobicContact CD1-CD1 3.59Å; I159-L189 HydrophobicContact CD1-CD2 3.98Å; I159-L189 HydrophobicContact CD1-CG 3.47Å; I159-L189 VanDerWaalsContact CD1-CG 3.47Å; I159-L189 HydrophobicContact CG2-CD2 4.34Å
160W98.1Very high91.3Very high0 Ų023 Ų230%013%0.131CC..EExtended strand (participates in β ladder)trans-92.7121.8-179.5-72.499.5000110.6L59 L60 Y85 L129 I146 P148 T158 V171 Y172L59-W160 HydrophobicContact CB-CD2 4.05Å; L59-W160 HydrophobicContact CB-CG 4.17Å; L59-W160 HydrophobicContact CB-CZ2 4.29Å; L59-W160 HydrophobicContact CD1-CB 4.22Å; L59-W160 HydrophobicContact CD1-CD2 4.02Å; L59-W160 HydrophobicContact CD1-CE3 4.19Å; L59-W160 HydrophobicContact CD1-CG 4.04Å; L59-W160 HydrophobicContact CD2-CD2 4.34Å; L59-W160 HydrophobicContact CD2-CE3 4.19Å; L59-W160 HydrophobicContact CD2-CH2 4.22Å; L59-W160 HydrophobicContact CD2-CZ2 4.38Å; L59-W160 HydrophobicContact CD2-CZ3 4.13Å; L59-W160 HydrophobicContact CG-CD2 4.37Å; L60-W160 WeakPolarHBondContact O-CZ2 3.32Å; L60-W160 PolarHBondContact O-NE1 2.85Å; Y85-W160 WeakPolarHBondContact O-CZ2 3.34Å; L129-W160 HydrophobicContact CD1-CH2 3.76Å; L129-W160 HydrophobicContact CD1-CZ3 3.9Å; I146-W160 HydrophobicContact CB-CE3 4.28Å; I146-W160 HydrophobicContact CB-CZ3 4.26Å; I146-W160 HydrophobicContact CD1-CZ3 3.96Å; I146-W160 HydrophobicContact CG1-CZ3 4.26Å; P148-W160 HydrophobicContact CB-CE3 4.17Å; P148-W160 HydrophobicContact CB-CH2 4.1Å; P148-W160 HydrophobicContact CB-CZ3 3.89Å; P148-W160 HydrophobicContact CG-CH2 4.48Å; P148-W160 HydrophobicContact CG-CZ3 4.22Å; T158-W160 PolarHBondContact OG1-NE1 2.94Å; W160-V171 WeakPolarHBondContact O-CA 3.28Å; W160-Y172 PolarHBondContact N-O 3.43Å; W160-Y172 PolarHBondContact O-N 3.37Å
161K96.6Very high91.3Very high47 Ų4721.7 Ų21.720%0.20412%0.123CC..EExtended strand (participates in β ladder)trans-100.1117168.4-170.1-179.484149.10108.8I146 T147 L149 V163 E169I146-K161 CarbonylContact C-O 3.13Å; I146-K161 WeakPolarHBondContact CA-O 3.32Å; T147-K161 PolarHBondContact N-O 2.81Å; T147-K161 PolarHBondContact O-N 2.98Å; L149-K161 HydrophobicContact CD1-CB 4.22Å; L149-K161 HydrophobicContact CD1-CD 4.47Å; K161-V163 HydrophobicContact CD-CG2 4.4Å; K161-V163 HydrophobicContact CG-CG2 4.09Å; K161-E169 WeakPolarHBondContact CD-OE1 3.19Å; K161-E169 HydrophobicContact CG-CB 4.43Å; K161-E169 IonicContact NZ-OE1 3.65Å; K161-E169 PolarHBondContact NZ-OE1 2.87Å
162I96.2Very high91.4Very high0 Ų021.7 Ų21.70%012%0.123CC..EExtended strand (participates in β ladder)trans-111.8122.9-179.7-54170.2000107.1L23 F30 L32 L59 L144 S145 I146 I170L23-I162 HydrophobicContact CD2-CD1 3.61Å; F30-I162 HydrophobicContact CD2-CD1 4.41Å; F30-I162 HydrophobicContact CE2-CG2 4.02Å; F30-I162 HydrophobicContact CZ-CG2 4.16Å; L32-I162 HydrophobicContact CD2-CD1 4.3Å; L59-I162 HydrophobicContact CD1-CD1 3.81Å; L59-I162 HydrophobicContact CD1-CG1 4.17Å; L144-I162 HydrophobicContact CD2-CG2 4.41Å; S145-I162 WeakPolarHBondContact O-CA 3.4Å; I146-I162 HydrophobicContact CG2-CG1 4.33Å; I162-I170 HydrophobicContact CB-CB 4.26Å; I162-I170 PolarHBondContact N-O 2.82Å; I162-I170 PolarHBondContact O-N 2.78Å
163V93Very high91.5Very high28 Ų2821.5 Ų21.517%0.1712%0.121CC..EExtended strand (participates in β ladder)trans-125128.8-177-173.30000109.1L144 S145 K161 E169L144-V163 CarbonylContact C-O 3.57Å; L144-V163 WeakPolarHBondContact CA-O 3.48Å; S145-V163 PolarHBondContact N-O 2.86Å; S145-V163 PolarHBondContact O-N 2.8Å; S145-V163 PolarHBondContact OG-O 3.46Å; K161-V163 HydrophobicContact CD-CG2 4.4Å; K161-V163 HydrophobicContact CG-CG2 4.09Å; V163-E169 HydrophobicContact CG2-CB 4.29Å; V163-E169 HydrophobicContact CG2-CG 3.91Å
164K87.3Confident91.5Very high42 Ų4221.5 Ų21.518%0.18312%0.121CC..EExtended strand (participates in β ladder)trans-98.5138.9170.5-179.275.7-177.4-176.20109.1D26 H142 G143 L144 G166 E167D26-K164 IonicContact OD2-NZ 2.7Å; H142-K164 PolarHBondContact O-NZ 2.9Å; G143-K164 CarbonylContact O-C 3.37Å; G143-K164 WeakPolarHBondContact O-CA 3.45Å; L144-K164 HydrophobicContact CD2-CB 3.86Å; L144-K164 HydrophobicContact CD2-CD 3.51Å; L144-K164 HydrophobicContact CD2-CG 4.28Å; L144-K164 HydrophobicContact CG-CD 3.87Å; K164-G166 PolarHBondContact O-N 2.81Å; K164-E167 HydrophobicContact CB-CB 4.08Å; K164-E167 HydrophobicContact CB-CG 4.29Å; K164-E167 HydrophobicContact CG-CB 4.47Å; K164-E167 HydrophobicContact CG-CG 4.13Å; K164-E167 PolarHBondContact O-N 2.86Å
165D82.4Confident91.4Very high112 Ų11221.4 Ų21.460%0.59912%0.12SC*.THydrogen-bonded Turntrans-54.2126.1179.1-73.2-14.3000111.6G143 E167G143-D165 WeakPolarHBondContact CA-OD2 3.37Å; G143-D165 PolarHBondContact O-N 3.44Å; D165-E167 PolarHBondContact O-N 2.84Å
166G69.8Low91.4Very high60 Ų6021.7 Ų21.762%0.61912%0.122SC*.THydrogen-bonded Turntrans74.90.7-17900000114.9K164 I605K164-G166 PolarHBondContact O-N 2.81Å; G166-I605 VanDerWaalsContact O-CD1 3.28Å; G166-I605 WeakPolarHBondContact O-CD1 3.15Å; G166-I605 WeakPolarHBondContact O-CG2 3.26Å
167E71.4Confident91.5Very high45 Ų4521.8 Ų21.821%0.2112%0.122CC..SBendtrans-114173.5176.9-58.3-156146.900113.4S3 K164 D165S3-E167 WeakPolarHBondContact CB-OE1 3.36Å; S3-E167 WeakPolarHBondContact CB-OE2 3.09Å; S3-E167 PolarHBondContact N-OE1 2.77Å; S3-E167 VanDerWaalsContact OG-CD 3.28Å; S3-E167 PolarHBondContact OG-OE1 3.37Å; S3-E167 VanDerWaalsContact OG-OE1 3.1Å; S3-E167 PolarHBondContact OG-OE2 3.44Å; K164-E167 HydrophobicContact CB-CB 4.08Å; K164-E167 HydrophobicContact CB-CG 4.29Å; K164-E167 HydrophobicContact CG-CB 4.47Å; K164-E167 HydrophobicContact CG-CG 4.13Å; K164-E167 PolarHBondContact O-N 2.86Å; D165-E167 PolarHBondContact O-N 2.84Å
168E73.4Confident91.3Very high62 Ų6224.4 Ų24.429%0.2913%0.134SC..PPolyproline II helixtrans-85.1159.5177.4-72.3-170175.600112.5R560E168-R560 IonicContact OE1-CZ 3.16Å; E168-R560 VanDerWaalsContact OE1-CZ 3.26Å; E168-R560 IonicContact OE1-NE 3.57Å; E168-R560 PolarHBondContact OE1-NE 2.96Å; E168-R560 IonicContact OE1-NH2 2.75Å; E168-R560 PolarHBondContact OE1-NH2 2.79Å; E168-R560 VanDerWaalsContact OE2-CD 3.25Å; E168-R560 WeakPolarHBondContact OE2-CD 3.42Å; E168-R560 IonicContact OE2-CZ 3.51Å; E168-R560 IonicContact OE2-NE 3.51Å; E168-R560 PolarHBondContact OE2-NE 2.94Å; E168-R560 IonicContact OE2-NH2 3.88Å
169E89.5Confident91.1Very high47 Ų4727.6 Ų27.622%0.2215%0.148CC..PPolyproline II helixtrans-74.7138-169-48.6-174.7139.100112.8K161 V163 P195 S196K161-E169 WeakPolarHBondContact CD-OE1 3.19Å; K161-E169 HydrophobicContact CG-CB 4.43Å; K161-E169 IonicContact NZ-OE1 3.65Å; K161-E169 PolarHBondContact NZ-OE1 2.87Å; V163-E169 HydrophobicContact CG2-CB 4.29Å; V163-E169 HydrophobicContact CG2-CG 3.91Å; E169-P195 WeakPolarHBondContact O-CB 3.3Å; E169-S196 WeakPolarHBondContact O-CB 3.19Å; E169-S196 PolarHBondContact O-N 3.5Å
170I95.1Very high90.9Very high6 Ų635.6 Ų35.63%0.03118%0.178CC..EExtended strand (participates in β ladder)trans-100.1129.8166.8-56.6168.1000107.8I5 L23 V25 I162 L197I5-I170 HydrophobicContact CD1-CD1 3.87Å; I5-I170 HydrophobicContact CD1-CG1 4.3Å; I5-I170 HydrophobicContact CG1-CD1 4.2Å; I5-I170 HydrophobicContact CG2-CD1 4.01Å; L23-I170 HydrophobicContact CD2-CG2 4.1Å; V25-I170 HydrophobicContact CG2-CD1 3.85Å; I162-I170 HydrophobicContact CB-CB 4.26Å; I162-I170 PolarHBondContact N-O 2.82Å; I162-I170 PolarHBondContact O-N 2.78Å; I170-L197 WeakPolarHBondContact CA-O 3.48Å; I170-L197 HydrophobicContact CG1-CB 4.33Å; I170-L197 HydrophobicContact CG2-CB 4.18Å; I170-L197 HydrophobicContact CG2-CD2 4.01Å; I170-L197 HydrophobicContact CG2-CG 4.24Å
171V97.3Very high90.6Very high0 Ų036.5 Ų36.50%018%0.182CC..EExtended strand (participates in β ladder)trans-121.8121.3-177.4-178.10000109.9I159 W160 A173 L189 I192 P195 L197 L198 I199I159-V171 HydrophobicContact CG2-CG1 3.7Å; W160-V171 WeakPolarHBondContact O-CA 3.28Å; V171-A173 HydrophobicContact CG1-CB 4.16Å; V171-L189 HydrophobicContact CG1-CD2 4.28Å; V171-I192 HydrophobicContact CG1-CD1 3.86Å; V171-I192 HydrophobicContact CG2-CD1 3.79Å; V171-I192 HydrophobicContact CG2-CG2 4.02Å; V171-P195 HydrophobicContact CG2-CB 3.75Å; V171-P195 HydrophobicContact CG2-CG 4.23Å; V171-L197 PolarHBondContact N-O 3.36Å; V171-L198 HydrophobicContact CB-CD1 3.92Å; V171-L198 HydrophobicContact CG1-CD1 3.82Å; V171-I199 PolarHBondContact O-N 2.81Å
172Y97.9Very high90.4Very high0 Ų035.1 Ų35.10%018%0.177CC..EExtended strand (participates in β ladder)trans-103.2107.2170.4176.3-109.1000109.4Y21 L32 D33 I159 W160 V174 I199Y21-Y172 AromaticContact CD2-CE2 3.73Å; Y21-Y172 HydrophobicContact CD2-CE2 3.73Å; Y21-Y172 HydrophobicContact CE2-CE2 4.01Å; Y21-Y172 WeakPolarHBondContact CE2-OH 3.44Å; L32-Y172 HydrophobicContact CB-CD1 4.42Å; L32-Y172 HydrophobicContact CB-CD2 4.44Å; L32-Y172 HydrophobicContact CB-CE1 4.19Å; L32-Y172 HydrophobicContact CB-CE2 4.23Å; L32-Y172 HydrophobicContact CD1-CD2 3.7Å; L32-Y172 HydrophobicContact CD1-CE2 4.16Å; L32-Y172 HydrophobicContact CD1-CG 3.91Å; D33-Y172 WeakPolarHBondContact OD2-CE1 3.43Å; D33-Y172 PolarHBondContact OD2-OH 3.1Å; I159-Y172 CarbonylContact C-O 3.51Å; I159-Y172 WeakPolarHBondContact CA-O 3.43Å; I159-Y172 WeakPolarHBondContact CG2-O 3.48Å; W160-Y172 PolarHBondContact N-O 3.43Å; W160-Y172 PolarHBondContact O-N 3.37Å; Y172-V174 HydrophobicContact CD2-CG1 4.28Å; Y172-V174 HydrophobicContact CE1-CG1 4.43Å; Y172-V174 HydrophobicContact CE1-CG2 3.75Å; Y172-V174 HydrophobicContact CE2-CG1 3.5Å; Y172-V174 VanDerWaalsContact CE2-CG1 3.5Å; Y172-V174 HydrophobicContact CE2-CG2 4.32Å; Y172-V174 WeakPolarHBondContact OH-CG2 3.35Å; Y172-I199 HydrophobicContact CD2-CB 3.94Å; Y172-I199 HydrophobicContact CD2-CD1 4.42Å; Y172-I199 HydrophobicContact CD2-CG2 3.74Å; Y172-I199 HydrophobicContact CE2-CG2 4.07Å
173A97Very high90.2Very high0 Ų035.1 Ų35.10%018%0.177CC..EExtended strand (participates in β ladder)trans-131.682.9-173.200000110.5I159 V171 F176 L189 L198 I199 T200I159-A173 HydrophobicContact CB-CB 4.46Å; I159-A173 HydrophobicContact CD1-CB 4.12Å; I159-A173 HydrophobicContact CG1-CB 4.06Å; I159-A173 HydrophobicContact CG2-CB 3.72Å; V171-A173 HydrophobicContact CG1-CB 4.16Å; A173-F176 HydrophobicContact CB-CD1 4.23Å; A173-L189 HydrophobicContact CB-CD1 4.36Å; A173-L189 HydrophobicContact CB-CD2 3.92Å; A173-L198 HydrophobicContact CB-CD1 4.13Å; A173-I199 PolarHBondContact N-O 3.14Å; A173-T200 WeakPolarHBondContact O-CA 3.41Å; A173-T200 PolarHBondContact O-OG1 2.98Å
174V95.9Very high90.4Very high0 Ų034.1 Ų34.10%017%0.171CC..  trans-99.9152.4172.5-64.50000110.4L19 H62 Y172 F176 D201 V565L19-V174 HydrophobicContact CD1-CB 4.09Å; L19-V174 HydrophobicContact CD1-CG1 4.34Å; L19-V174 HydrophobicContact CD1-CG2 3.9Å; H62-V174 PolarHBondContact CE1-O 3.32Å; Y172-V174 HydrophobicContact CD2-CG1 4.28Å; Y172-V174 HydrophobicContact CE1-CG1 4.43Å; Y172-V174 HydrophobicContact CE1-CG2 3.75Å; Y172-V174 HydrophobicContact CE2-CG1 3.5Å; Y172-V174 VanDerWaalsContact CE2-CG1 3.5Å; Y172-V174 HydrophobicContact CE2-CG2 4.32Å; Y172-V174 WeakPolarHBondContact OH-CG2 3.35Å; V174-F176 PolarHBondContact O-N 3.14Å; V174-F176 VanDerWaalsContact O-N 3.1Å; V174-D201 HydrophobicContact CB-CB 4.48Å; V174-D201 HydrophobicContact CG1-CB 4.5Å; V174-V565 HydrophobicContact CG1-CG2 4.02Å
175D95.1Very high90.7Very high0 Ų034.3 Ų34.30%017%0.174CC..SBendtrans52.637.7169.5-78.8-15.1000114.2H67 H153 D201 R544H67-D175 IonicContact CE1-OD2 3.67Å; H67-D175 PolarHBondContact CE1-OD2 2.81Å; H67-D175 IonicContact NE2-OD2 3.38Å; H67-D175 PolarHBondContact NE2-OD2 2.95Å; H153-D175 WeakPolarHBondContact CB-O 3.31Å; D175-D201 PolarHBondContact N-OD1 2.89Å; D175-R544 VanDerWaalsContact CG-NH2 3.32Å; D175-R544 IonicContact OD1-CZ 2.75Å; D175-R544 IonicContact OD1-NE 3.89Å; D175-R544 PolarHBondContact OD1-NE 3.24Å; D175-R544 IonicContact OD1-NH2 3.75Å; D175-R544 IonicContact OD2-CZ 3.8Å; D175-R544 IonicContact OD2-NE 3.17Å; D175-R544 IonicContact OD2-NH2 2.85Å; D175-R544 PolarHBondContact OD2-NH2 3.03Å
176F96Very high91.3Very high6 Ų629.9 Ų29.93%0.02615%0.154CC..  trans-88.9153.7-176.966.5-90.7000113.4A151 I159 A173 V174 C187 L189 S545 I550 I553A151-F176 HydrophobicContact CB-CB 4.44Å; A151-F176 WeakPolarHBondContact O-CA 3.33Å; I159-F176 HydrophobicContact CD1-CB 3.95Å; I159-F176 HydrophobicContact CG1-CB 4.47Å; A173-F176 HydrophobicContact CB-CD1 4.23Å; V174-F176 PolarHBondContact O-N 3.14Å; V174-F176 VanDerWaalsContact O-N 3.1Å; F176-C187 HydrophobicContact CB-CB 4.32Å; F176-L189 HydrophobicContact CB-CD1 4.26Å; F176-L189 HydrophobicContact CD1-CD1 3.86Å; F176-L189 HydrophobicContact CD2-CD1 3.43Å; F176-L189 VanDerWaalsContact CD2-CD1 3.43Å; F176-L189 HydrophobicContact CE1-CD1 4.02Å; F176-L189 HydrophobicContact CE2-CD1 3.63Å; F176-L189 HydrophobicContact CG-CD1 3.56Å; F176-L189 HydrophobicContact CZ-CD1 3.91Å; F176-S545 WeakPolarHBondContact O-CB 3.32Å; F176-S545 PolarHBondContact O-N 2.95Å; F176-S545 PolarHBondContact O-OG 2.97Å; F176-I550 HydrophobicContact CE2-CG1 4.44Å; F176-I550 HydrophobicContact CZ-CG1 4.07Å; F176-I550 HydrophobicContact CZ-CG2 4.4Å; F176-I553 HydrophobicContact CE2-CD1 3.83Å
177N96.2Very high92.5Very high1 Ų127.8 Ų27.81%0.00513%0.13CC..  trans-122.6114.3177.4-166.60.6000111.4A151 G152 K179 E181 G186 C187 G543 S545A151-N177 PolarHBondContact O-N 3.39Å; G152-N177 WeakPolarHBondContact O-CB 3.39Å; G152-N177 PolarHBondContact O-ND2 3.41Å; N177-K179 VanDerWaalsContact C-N 3.31Å; N177-K179 WeakPolarHBondContact OD1-CB 3.14Å; N177-K179 PolarHBondContact OD1-N 3.03Å; N177-E181 PolarHBondContact ND2-OE1 3.35Å; N177-G186 CarbonylContact O-C 3.49Å; N177-G186 WeakPolarHBondContact O-CA 3.25Å; N177-C187 PolarHBondContact O-N 3.41Å; N177-G543 VanDerWaalsContact CB-O 3.29Å; N177-G543 WeakPolarHBondContact CB-O 3.27Å; N177-G543 PolarHBondContact ND2-O 3.06Å; N177-S545 WeakPolarHBondContact CA-OG 3.44Å
178H93.8Very high93.4Very high56 Ų5628 Ų2826%0.25914%0.135SC..  trans-77.4-17.5174.871.9-77.1000113.3S545 D546 S549 I553H178-S545 PolarHBondContact N-OG 2.96Å; H178-S545 WeakPolarHBondContact ND1-CB 3.43Å; H178-S545 PolarHBondContact ND1-OG 3.08Å; H178-D546 IonicContact CE1-OD1 3.51Å; H178-D546 PolarHBondContact CE1-OD1 3.41Å; H178-S549 WeakPolarHBondContact CE1-CB 3.46Å; H178-S549 PolarHBondContact CE1-OG 3.1Å; H178-S549 PolarHBondContact NE2-OG 3.08Å; H178-I553 HydrophobicContact CB-CD1 3.69Å
179K93.1Very high94Very high66 Ų6625.2 Ų25.229%0.28712%0.122SC..SBendtrans-81.2139.2-177.2-64.4173.1-176.4154.20109.8N177 D546N177-K179 VanDerWaalsContact C-N 3.31Å; N177-K179 WeakPolarHBondContact OD1-CB 3.14Å; N177-K179 PolarHBondContact OD1-N 3.03Å; K179-D546 WeakPolarHBondContact CE-OD1 3.18Å; K179-D546 IonicContact NZ-OD1 3.48Å; K179-D546 PolarHBondContact NZ-OD1 2.92Å
180R93Very high93.4Very high170 Ų17029.3 Ų29.364%0.64214%0.141SC*.  trans-76.1126.1166.5-175.1174.267.8-172.8-0.8109.9
181E92.4Very high92.8Very high18 Ų1833.2 Ų33.28%0.08417%0.169CC..  trans-102.6-167.5178.3-62.2-161.9156.700111.4N177 L184 R242 G543N177-E181 PolarHBondContact ND2-OE1 3.35Å; E181-L184 PolarHBondContact N-O 3.24Å; E181-R242 IonicContact OE1-CZ 2.79Å; E181-R242 IonicContact OE1-NH1 3.05Å; E181-R242 IonicContact OE1-NH2 3.48Å; E181-R242 PolarHBondContact OE1-NH2 2.94Å; E181-R242 IonicContact OE2-CZ 3.18Å; E181-R242 IonicContact OE2-NH1 2.64Å; E181-R242 PolarHBondContact OE2-NH1 3.45Å; E181-R242 IonicContact OE2-NH2 3.67Å; E181-R242 PolarHBondContact OE2-NH2 3.29Å; E181-G543 WeakPolarHBondContact OE1-CA 3.34Å
182I92.3Very high92.2Very high19 Ų1933.6 Ų33.610%0.09717%0.171CC..SBendtrans-69.7-54.9176.8-69.3160.6000109.4E245 Q248 L249 S288I182-E245 WeakPolarHBondContact CB-OE1 3.36Å; I182-E245 WeakPolarHBondContact CB-OE2 3.34Å; I182-E245 WeakPolarHBondContact CG1-OE1 3.43Å; I182-E245 PolarHBondContact N-OE1 2.98Å; I182-E245 PolarHBondContact N-OE2 2.8Å; I182-E245 VanDerWaalsContact N-OE2 3.14Å; I182-Q248 HydrophobicContact CG2-CG 3.64Å; I182-L249 HydrophobicContact CD1-CB 3.91Å; I182-L249 HydrophobicContact CD1-CD1 3.86Å; I182-L249 HydrophobicContact CD1-CG 4.46Å; I182-S288 PolarHBondContact O-OG 3.01Å
183H93.3Very high91.5Very high0 Ų038.5 Ų38.50%021%0.205CC..SBendtrans-94.3-17.3-171.981-63.6000114.5E245 M287 S288 L291 F303H183-E245 IonicContact CE1-OE2 3.7Å; H183-E245 IonicContact CG-OE2 2.77Å; H183-E245 PolarHBondContact N-OE2 2.72Å; H183-E245 IonicContact ND1-OE2 2.91Å; H183-E245 PolarHBondContact ND1-OE2 3.31Å; H183-M287 CarbonylContact O-C 3.48Å; H183-M287 VanDerWaalsContact O-CA 3.29Å; H183-M287 WeakPolarHBondContact O-CA 3.27Å; H183-M287 VanDerWaalsContact O-CB 3.26Å; H183-M287 WeakPolarHBondContact O-CB 3.37Å; H183-S288 PolarHBondContact O-N 2.79Å; H183-L291 HydrophobicContact CB-CD1 3.99Å; H183-F303 HydrophobicContact CB-CZ 4.09Å
184L95.4Very high91.1Very high6 Ų644.9 Ų44.93%0.03123%0.229CC..  trans-122.7148.5179.2-61.4174.4000113.3M154 I155 E181M154-L184 VanDerWaalsContact C-CD1 3.43Å; I155-L184 HydrophobicContact CB-CD2 4.43Å; E181-L184 PolarHBondContact N-O 3.24Å
185N94.8Very high90.9Very high47 Ų4744.9 Ų44.925%0.25123%0.229SC..PPolyproline II helixtrans-76.1161164.5-70.6-29.4000110.2G152 S288 D289G152-N185 WeakPolarHBondContact CA-O 3.37Å; N185-S288 VanDerWaalsContact OD1-CA 3.31Å; N185-S288 WeakPolarHBondContact OD1-CA 3.31Å; N185-S288 WeakPolarHBondContact OD1-CB 3.38Å; N185-D289 PolarHBondContact ND2-OD1 3.09Å; N185-D289 PolarHBondContact OD1-N 3.17Å
186G94.1Very high90.8Very high18 Ų1845.4 Ų45.419%0.18623%0.232CC..PPolyproline II helixtrans-71.5164.6172.100000112N177N177-G186 CarbonylContact O-C 3.49Å; N177-G186 WeakPolarHBondContact O-CA 3.25Å
187C94.5Very high90.7Very high16 Ų1645.1 Ų45.111%0.10823%0.231CC..PPolyproline II helixtrans-61.9154.7178.169.50000113P150 A151 I159 F176 N177 L189P150-C187 VanDerWaalsContact O-CA 3.24Å; P150-C187 WeakPolarHBondContact O-CA 3.4Å; P150-C187 WeakPolarHBondContact O-CB 3.36Å; A151-C187 WeakPolarHBondContact O-CB 3.17Å; I159-C187 HydrophobicContact CD1-CB 4.09Å; F176-C187 HydrophobicContact CB-CB 4.32Å; N177-C187 PolarHBondContact O-N 3.41Å; C187-L189 HydrophobicContact CB-CD1 4.5Å
188T90.7Very high90.7Very high51 Ų5145.2 Ų45.231%0.31323%0.232SC..  trans-101.825.7179.456.60000113.8P150 E190 S191P150-T188 WeakPolarHBondContact CD-OG1 3.29Å; P150-T188 HydrophobicContact CG-CG2 3.54Å; P150-T188 WeakPolarHBondContact CG-OG1 3.25Å; P150-T188 PolarHBondContact O-N 2.96Å; T188-E190 PolarHBondContact O-N 3.29Å; T188-E190 VanDerWaalsContact O-N 3.15Å; T188-S191 WeakPolarHBondContact O-CB 3.37Å; T188-S191 PolarHBondContact O-N 3.4Å; T188-S191 PolarHBondContact O-OG 3.49Å
189L86.6Confident90.9Very high3 Ų342.5 Ų42.52%0.01622%0.219CC..G310 helixtrans-55.5-30.8178.2-84.5158.7000113.4I159 V171 A173 F176 C187 S191 I192 I553 M557I159-L189 HydrophobicContact CD1-CD1 3.59Å; I159-L189 HydrophobicContact CD1-CD2 3.98Å; I159-L189 HydrophobicContact CD1-CG 3.47Å; I159-L189 VanDerWaalsContact CD1-CG 3.47Å; I159-L189 HydrophobicContact CG2-CD2 4.34Å; V171-L189 HydrophobicContact CG1-CD2 4.28Å; A173-L189 HydrophobicContact CB-CD1 4.36Å; A173-L189 HydrophobicContact CB-CD2 3.92Å; F176-L189 HydrophobicContact CB-CD1 4.26Å; F176-L189 HydrophobicContact CD1-CD1 3.86Å; F176-L189 HydrophobicContact CD2-CD1 3.43Å; F176-L189 VanDerWaalsContact CD2-CD1 3.43Å; F176-L189 HydrophobicContact CE1-CD1 4.02Å; F176-L189 HydrophobicContact CE2-CD1 3.63Å; F176-L189 HydrophobicContact CG-CD1 3.56Å; F176-L189 HydrophobicContact CZ-CD1 3.91Å; C187-L189 HydrophobicContact CB-CD1 4.5Å; L189-S191 PolarHBondContact O-N 3.4Å; L189-S191 VanDerWaalsContact O-N 3.17Å; L189-I192 HydrophobicContact CD2-CD1 4.32Å; L189-I192 PolarHBondContact O-N 3.01Å; L189-I553 HydrophobicContact CB-CG2 4.14Å; L189-I553 HydrophobicContact CD1-CG2 4.39Å; L189-M557 HydrophobicContact CB-SD 4.15Å; L189-M557 HydrophobicContact CD2-CE 3.93Å; L189-M557 HydrophobicContact CD2-SD 3.91Å
190E77Confident91Very high133 Ų13339.4 Ų39.462%0.62121%0.206SC*.G310 helixtrans-62.7-20.9178.8-61.2-179.5174.200113.7T188 I192T188-E190 PolarHBondContact O-N 3.29Å; T188-E190 VanDerWaalsContact O-N 3.15Å; E190-I192 VanDerWaalsContact C-N 3.27Å
191S81.4Confident91.1Very high88 Ų8831.5 Ų31.562%0.61518%0.176SC*.G310 helixtrans-75.3-18176.366.90000113.2T188 L189T188-S191 WeakPolarHBondContact O-CB 3.37Å; T188-S191 PolarHBondContact O-N 3.4Å; T188-S191 PolarHBondContact O-OG 3.49Å; L189-S191 PolarHBondContact O-N 3.4Å; L189-S191 VanDerWaalsContact O-N 3.17Å
192I86.1Confident91.1Very high8 Ų830.7 Ų30.74%0.04117%0.172CC..  trans-88.4116.1-178.2-53.7179.6000108.8L149 V171 L189 E190 P195 M557L149-I192 HydrophobicContact CD1-CD1 3.78Å; L149-I192 HydrophobicContact CD1-CG1 4.17Å; V171-I192 HydrophobicContact CG1-CD1 3.86Å; V171-I192 HydrophobicContact CG2-CD1 3.79Å; V171-I192 HydrophobicContact CG2-CG2 4.02Å; L189-I192 HydrophobicContact CD2-CD1 4.32Å; L189-I192 PolarHBondContact O-N 3.01Å; E190-I192 VanDerWaalsContact C-N 3.27Å; I192-P195 HydrophobicContact CG2-CB 4.24Å; I192-P195 HydrophobicContact CG2-CG 4.26Å; I192-M557 HydrophobicContact CB-CE 4.15Å; I192-M557 HydrophobicContact CG2-CE 4.22Å
193S82.1Confident91.2Very high103 Ų10330.2 Ų30.272%0.7217%0.17SC*.  trans-93.8112.7176.259.50000111
194R88.8Confident91.2Very high133 Ų13330.2 Ų30.250%0.50217%0.17SC..SBendtrans52.364165.3-154.3-166.5-177.2167.9-2.5115.1M557 K558R194-M557 WeakPolarHBondContact CA-O 3.26Å; R194-M557 PolarHBondContact N-O 3.45Å; R194-K558 WeakPolarHBondContact CG-O 3.12Å
195P92.1Very high91Very high1 Ų130 Ų301%0.00617%0.169CC..  trans-64.5155.7179.329.2-34.5000112.1E169 V171 I192 L198 M557 P559 R560E169-P195 WeakPolarHBondContact O-CB 3.3Å; V171-P195 HydrophobicContact CG2-CB 3.75Å; V171-P195 HydrophobicContact CG2-CG 4.23Å; I192-P195 HydrophobicContact CG2-CB 4.24Å; I192-P195 HydrophobicContact CG2-CG 4.26Å; P195-L198 HydrophobicContact CG-CB 4.37Å; P195-M557 HydrophobicContact CG-CE 3.87Å; P195-P559 HydrophobicContact CG-CB 4.02Å; P195-P559 WeakPolarHBondContact O-CA 3.42Å; P195-R560 PolarHBondContact O-N 3.09Å
196S92.3Very high90.9Very high10 Ų1031 Ų317%0.0718%0.183CC..SBendtrans-62.3-51.8175-171.50000110.2E169 R560 Q561E169-S196 WeakPolarHBondContact O-CB 3.19Å; E169-S196 PolarHBondContact O-N 3.5Å; S196-R560 WeakPolarHBondContact O-CB 3.4Å; S196-Q561 WeakPolarHBondContact O-CB 3.49Å; S196-Q561 PolarHBondContact O-N 2.79Å
197L94.3Very high90.7Very high0 Ų032.9 Ų32.90%019%0.186CC..EExtended strand (participates in β ladder)trans-131.6124.4-179.2176.262.2000109.4I5 I170 V171 I199 Q561 V563 A599I5-L197 HydrophobicContact CG2-CD2 3.78Å; I170-L197 WeakPolarHBondContact CA-O 3.48Å; I170-L197 HydrophobicContact CG1-CB 4.33Å; I170-L197 HydrophobicContact CG2-CB 4.18Å; I170-L197 HydrophobicContact CG2-CD2 4.01Å; I170-L197 HydrophobicContact CG2-CG 4.24Å; V171-L197 PolarHBondContact N-O 3.36Å; L197-I199 HydrophobicContact CD2-CD1 4.29Å; L197-I199 HydrophobicContact CD2-CG1 4.25Å; L197-I199 HydrophobicContact CG-CG1 4.14Å; L197-Q561 WeakPolarHBondContact CA-O 3.41Å; L197-Q561 HydrophobicContact CD1-CB 3.94Å; L197-V563 HydrophobicContact CD1-CG2 3.67Å; L197-A599 HydrophobicContact CD1-CB 4.09Å; L197-A599 HydrophobicContact CD2-CB 3.99Å
198L96.5Very high90.6Very high3 Ų337.8 Ų37.82%0.01622%0.215CC..EExtended strand (participates in β ladder)trans-108124.4167177.962.3000109.1V171 A173 P195 I554 M557 P559 Q561 L562 V563V171-L198 HydrophobicContact CB-CD1 3.92Å; V171-L198 HydrophobicContact CG1-CD1 3.82Å; A173-L198 HydrophobicContact CB-CD1 4.13Å; P195-L198 HydrophobicContact CG-CB 4.37Å; L198-I554 HydrophobicContact CD2-CG1 4.14Å; L198-M557 HydrophobicContact CD1-CE 4.31Å; L198-M557 HydrophobicContact CD2-CE 4.27Å; L198-M557 HydrophobicContact CD2-SD 4.43Å; L198-P559 HydrophobicContact CB-CB 3.78Å; L198-P559 HydrophobicContact CB-CG 4.16Å; L198-P559 HydrophobicContact CD2-CG 4.15Å; L198-Q561 PolarHBondContact N-O 2.72Å; L198-L562 HydrophobicContact CB-CD1 3.95Å; L198-L562 HydrophobicContact CD2-CD1 3.82Å; L198-L562 HydrophobicContact CG-CD1 3.87Å; L198-L562 CarbonylContact O-C 3.55Å; L198-L562 WeakPolarHBondContact O-CA 3.45Å; L198-V563 PolarHBondContact O-N 2.75Å
199I97.3Very high90.5Very high0 Ų036.5 Ų36.50%021%0.205CC..EExtended strand (participates in β ladder)trans-106.4117.9170.5-54.4168.1000106.8L7 L23 L32 V171 Y172 A173 L197 V563 V565L7-I199 HydrophobicContact CD1-CD1 3.84Å; L7-I199 HydrophobicContact CD2-CD1 3.99Å; L7-I199 HydrophobicContact CD2-CG1 4.27Å; L7-I199 HydrophobicContact CD2-CG2 4.21Å; L7-I199 HydrophobicContact CG-CD1 4.47Å; L23-I199 HydrophobicContact CD1-CD1 4.48Å; L32-I199 HydrophobicContact CD1-CD1 4.1Å; V171-I199 PolarHBondContact O-N 2.81Å; Y172-I199 HydrophobicContact CD2-CB 3.94Å; Y172-I199 HydrophobicContact CD2-CD1 4.42Å; Y172-I199 HydrophobicContact CD2-CG2 3.74Å; Y172-I199 HydrophobicContact CE2-CG2 4.07Å; A173-I199 PolarHBondContact N-O 3.14Å; L197-I199 HydrophobicContact CD2-CD1 4.29Å; L197-I199 HydrophobicContact CD2-CG1 4.25Å; L197-I199 HydrophobicContact CG-CG1 4.14Å; I199-V563 WeakPolarHBondContact CA-O 3.35Å; I199-V563 HydrophobicContact CG1-CB 4.35Å; I199-V565 HydrophobicContact CG2-CG1 3.94Å; I199-V565 HydrophobicContact CG2-CG2 3.95Å
200T96.1Very high90.7Very high1 Ų138.6 Ų38.61%0.00622%0.219CC..EExtended strand (participates in β ladder)trans-138154.6-174.2-170.80000111.9A173 I554 L562 V563 I564 V565A173-T200 WeakPolarHBondContact O-CA 3.41Å; A173-T200 PolarHBondContact O-OG1 2.98Å; T200-I554 HydrophobicContact CG2-CD1 4.1Å; T200-L562 HydrophobicContact CG2-CD1 3.7Å; T200-V563 PolarHBondContact N-O 3.36Å; T200-I564 WeakPolarHBondContact O-CA 3.29Å; T200-V565 WeakPolarHBondContact O-CG2 3.29Å; T200-V565 PolarHBondContact O-N 3.18Å
201D94.7Very high91.4Very high4 Ų441.5 Ų41.52%0.02122%0.224CC..EExtended strand (participates in β ladder)trans-78.9163.4172.872.2-74.2000112.9V174 D175 F203 V565 H566V174-D201 HydrophobicContact CB-CB 4.48Å; V174-D201 HydrophobicContact CG1-CB 4.5Å; D175-D201 PolarHBondContact N-OD1 2.89Å; D201-F203 PolarHBondContact OD2-N 3.07Å; D201-V565 CarbonylContact C-O 3.55Å; D201-V565 VanDerWaalsContact CA-O 3.23Å; D201-V565 WeakPolarHBondContact CA-O 3.44Å; D201-H566 HydrophobicContact CB-CB 3.97Å
202S94.1Very high91.9Very high0 Ų040.9 Ų40.90%021%0.208CC..  trans-125.112.8172.758.50000113.8N204 A205 I564 V565 H566 A571 S572S202-N204 VanDerWaalsContact C-N 3.26Å; S202-N204 PolarHBondContact O-N 2.92Å; S202-N204 VanDerWaalsContact O-N 3.17Å; S202-A205 WeakPolarHBondContact O-CB 3.45Å; S202-A205 PolarHBondContact O-N 3.38Å; S202-I564 VanDerWaalsContact CB-CG2 3.49Å; S202-V565 PolarHBondContact N-O 3.43Å; S202-V565 VanDerWaalsContact N-O 3.14Å; S202-V565 PolarHBondContact OG-O 3.18Å; S202-H566 CarbonylContact C-O 3.55Å; S202-H566 WeakPolarHBondContact CA-O 3.48Å; S202-H566 PolarHBondContact N-O 3.12Å; S202-H566 PolarHBondContact OG-O 3.27Å; S202-A571 VanDerWaalsContact O-CB 3.31Å; S202-A571 WeakPolarHBondContact O-CB 3.5Å; S202-S572 WeakPolarHBondContact OG-CA 3.33Å; S202-S572 PolarHBondContact OG-OG 3.48Å
203F93.3Very high92.1Very high9 Ų947.6 Ų47.64%0.03924%0.237CC..THydrogen-bonded Turntrans-54-41.9-172.8-174.9-100.1000112.8E16 D201 R358 H566E16-F203 HydrophobicContact CB-CD2 4.29Å; E16-F203 HydrophobicContact CB-CE2 3.78Å; E16-F203 HydrophobicContact CG-CD2 3.81Å; E16-F203 HydrophobicContact CG-CE2 3.48Å; E16-F203 VanDerWaalsContact CG-CE2 3.48Å; D201-F203 PolarHBondContact OD2-N 3.07Å; F203-R358 HydrophobicContact CZ-CB 4.35Å; F203-R358 HydrophobicContact CZ-CG 4.37Å; F203-H566 AromaticContact CD2-NE2 3.51Å; F203-H566 AromaticContact CG-NE2 3.94Å; F203-H566 PolarHBondContact N-O 2.72Å
204N93.5Very high92.7Very high0 Ų047.8 Ų47.80%023%0.227CC..THydrogen-bonded Turntrans-107.315.5178.6-83.8-17.1000114.3S202 A206 Y207 R358 E542 S545 G547S202-N204 VanDerWaalsContact C-N 3.26Å; S202-N204 PolarHBondContact O-N 2.92Å; S202-N204 VanDerWaalsContact O-N 3.17Å; N204-A206 VanDerWaalsContact C-N 3.26Å; N204-A206 PolarHBondContact O-N 3.32Å; N204-Y207 PolarHBondContact O-N 2.65Å; N204-R358 PolarHBondContact OD1-NH1 3.23Å; N204-R358 PolarHBondContact OD1-NH2 3.1Å; N204-E542 PolarHBondContact ND2-OE1 2.75Å; N204-S545 WeakPolarHBondContact CB-O 3.17Å; N204-G547 VanDerWaalsContact O-CA 3.25Å; N204-G547 WeakPolarHBondContact O-CA 3.43Å; N204-G547 PolarHBondContact O-N 3.27Å; N204-G547 VanDerWaalsContact O-N 3.1Å
205A92Very high92.9Very high2 Ų241.8 Ų41.82%0.01720%0.204CC..THydrogen-bonded Turntrans-61.2-33.2-175.600000113.9S202 G547 A571 L575S202-A205 WeakPolarHBondContact O-CB 3.45Å; S202-A205 PolarHBondContact O-N 3.38Å; A205-G547 WeakPolarHBondContact O-CA 3.49Å; A205-A571 HydrophobicContact CB-CB 4.24Å; A205-L575 HydrophobicContact CB-CB 3.82Å; A205-L575 HydrophobicContact CB-CD1 4.46Å; A205-L575 HydrophobicContact CB-CD2 4.26Å; A205-L575 HydrophobicContact CB-CG 4.4Å
206A91.1Very high93Very high67 Ų6743.1 Ų43.155%0.55421%0.211SC*.THydrogen-bonded Turntrans-96.8-3.3174.400000113.4N204 A571N204-A206 VanDerWaalsContact C-N 3.26Å; N204-A206 PolarHBondContact O-N 3.32Å; A206-A571 HydrophobicContact CB-CB 4.18Å
207Y91.6Very high93.1Very high59 Ų5947.4 Ų47.423%0.23123%0.23CC..  trans-85.9126.5-173.3-175.1-113.9000111.9N204 Q209 G547N204-Y207 PolarHBondContact O-N 2.65Å; Y207-Q209 HydrophobicContact CD1-CB 4.19Å; Y207-Q209 HydrophobicContact CE1-CB 3.93Å; Y207-Q209 HydrophobicContact CE1-CG 4.09Å; Y207-G547 PolarHBondContact O-N 3.21Å
208V90.6Very high93.2Very high118 Ų11851.7 Ų51.772%0.71525%0.25SS*.  trans-97.2102.3174.7-177.30000109.2
209Q89.8Confident93.1Very high24 Ų2451.6 Ų51.611%0.11225%0.25CC..PPolyproline II helixtrans-77.3132.5-176.1-167.1173.952.900112.1Y207 D540 D546Y207-Q209 HydrophobicContact CD1-CB 4.19Å; Y207-Q209 HydrophobicContact CE1-CB 3.93Å; Y207-Q209 HydrophobicContact CE1-CG 4.09Å; Q209-D540 VanDerWaalsContact CG-OD2 3.22Å; Q209-D540 WeakPolarHBondContact CG-OD2 3.4Å; Q209-D540 PolarHBondContact NE2-OD2 3.46Å; Q209-D546 HydrophobicContact CB-CB 3.82Å
210P91.3Very high93Very high48 Ų4854.2 Ų54.231%0.31226%0.263SS..PPolyproline II helixtrans-66.4156.217219-21000111.5R212 R215P210-R212 PolarHBondContact O-N 3.46Å; P210-R215 HydrophobicContact CB-CG 4.06Å; P210-R215 HydrophobicContact CG-CG 3.81Å
211R91.4Very high93Very high194 Ų19457.6 Ų57.673%0.73228%0.284SS*.PPolyproline II helixtrans-65.2137-179.7-67.6-177.8177179.6-0110.1K213 Q214 R215R211-K213 VanDerWaalsContact C-N 3.28Å; R211-K213 PolarHBondContact O-N 3.01Å; R211-K213 VanDerWaalsContact O-N 3.13Å; R211-Q214 HydrophobicContact CB-CG 4.29Å; R211-Q214 WeakPolarHBondContact O-CA 3.39Å; R211-Q214 WeakPolarHBondContact O-CB 3.39Å; R211-Q214 PolarHBondContact O-N 3.46Å; R211-R215 PolarHBondContact O-N 3.33Å
212R90.3Very high93Very high75 Ų7557.9 Ų57.928%0.28329%0.286SS..Hα-helixtrans-45.1-49.6178.5-172.5178.8-178.1-63.5-14.9113.1P210 Q214 R215 D216 E245P210-R212 PolarHBondContact O-N 3.46Å; R212-Q214 VanDerWaalsContact C-N 3.29Å; R212-Q214 PolarHBondContact O-N 3.41Å; R212-R215 PolarHBondContact O-N 3.33Å; R212-R215 VanDerWaalsContact O-N 3.09Å; R212-D216 IonicContact CZ-OD2 2.64Å; R212-D216 IonicContact NH1-OD1 3.26Å; R212-D216 IonicContact NH1-OD2 3.26Å; R212-D216 PolarHBondContact NH1-OD2 3.39Å; R212-D216 IonicContact NH2-OD2 3.67Å; R212-D216 VanDerWaalsContact O-CG 3.28Å; R212-D216 PolarHBondContact O-N 2.79Å; R212-E245 IonicContact CZ-OE1 3.55Å; R212-E245 IonicContact NE-OE1 3.54Å; R212-E245 IonicContact NH2-OE1 2.75Å; R212-E245 PolarHBondContact NH2-OE1 2.85Å
213K91.6Very high93.1Very high148 Ų14857.9 Ų57.964%0.64329%0.286SS*.Hα-helixtrans-55.6-40.4177.9-177.4176.3174-1800113.3R211 E217R211-K213 VanDerWaalsContact C-N 3.28Å; R211-K213 PolarHBondContact O-N 3.01Å; R211-K213 VanDerWaalsContact O-N 3.13Å; K213-E217 WeakPolarHBondContact CE-OE1 3.41Å; K213-E217 IonicContact NZ-OE1 2.68Å; K213-E217 WeakPolarHBondContact O-CB 3.44Å; K213-E217 VanDerWaalsContact O-CG 3.31Å; K213-E217 WeakPolarHBondContact O-CG 3.38Å; K213-E217 PolarHBondContact O-N 3.03Å
214Q93.8Very high93.2Very high108 Ų10858.7 Ų58.751%0.50529%0.29SS..Hα-helixtrans-69.5-38.5179.2-67.4173.2-17.900111.3R211 R212 E217 Q218R211-Q214 HydrophobicContact CB-CG 4.29Å; R211-Q214 WeakPolarHBondContact O-CA 3.39Å; R211-Q214 WeakPolarHBondContact O-CB 3.39Å; R211-Q214 PolarHBondContact O-N 3.46Å; R212-Q214 VanDerWaalsContact C-N 3.29Å; R212-Q214 PolarHBondContact O-N 3.41Å; Q214-E217 PolarHBondContact O-N 2.87Å; Q214-Q218 WeakPolarHBondContact O-CB 3.37Å; Q214-Q218 PolarHBondContact O-N 2.87Å
215R94.4Very high93.3Very high7 Ų763.8 Ų63.83%0.02631%0.314CS..Hα-helixtrans-67.1-40.9175.7-55.1-173.9-48.1-170.81.3111.9P210 R211 R212 E217 Q218 L219 I539 D540 Y541P210-R215 HydrophobicContact CB-CG 4.06Å; P210-R215 HydrophobicContact CG-CG 3.81Å; R211-R215 PolarHBondContact O-N 3.33Å; R212-R215 PolarHBondContact O-N 3.33Å; R212-R215 VanDerWaalsContact O-N 3.09Å; R215-E217 VanDerWaalsContact C-N 3.35Å; R215-Q218 PolarHBondContact O-N 2.81Å; R215-L219 WeakPolarHBondContact O-CB 3.33Å; R215-L219 PolarHBondContact O-N 2.87Å; R215-I539 HydrophobicContact CB-CG2 4.08Å; R215-D540 WeakPolarHBondContact CD-O 3.46Å; R215-D540 PolarHBondContact NE-O 3.48Å; R215-D540 VanDerWaalsContact NH1-CG 3.29Å; R215-D540 PolarHBondContact NH1-O 2.96Å; R215-D540 IonicContact NH1-OD1 2.74Å; R215-D540 IonicContact NH1-OD2 2.67Å; R215-D540 PolarHBondContact NH1-OD2 3.11Å; R215-Y541 PolarHBondContact O-OH 2.91Å
216D93.9Very high93.5Very high28 Ų2864 Ų6415%0.1532%0.315CS..Hα-helixtrans-60.9-44.7175.2-64.40.4000110.5R212 L220 Y541R212-D216 IonicContact CZ-OD2 2.64Å; R212-D216 IonicContact NH1-OD1 3.26Å; R212-D216 IonicContact NH1-OD2 3.26Å; R212-D216 PolarHBondContact NH1-OD2 3.39Å; R212-D216 IonicContact NH2-OD2 3.67Å; R212-D216 VanDerWaalsContact O-CG 3.28Å; R212-D216 PolarHBondContact O-N 2.79Å; D216-L220 WeakPolarHBondContact O-CB 3.33Å; D216-L220 PolarHBondContact O-N 3.22Å; D216-Y541 VanDerWaalsContact CA-OH 3.28Å; D216-Y541 WeakPolarHBondContact CA-OH 3.42Å; D216-Y541 PolarHBondContact N-OH 3.09Å; D216-Y541 PolarHBondContact OD1-OH 2.99Å; D216-Y541 VanDerWaalsContact OD1-OH 3.13Å
217E93.8Very high93.7Very high101 Ų10160.9 Ų60.947%0.47229%0.289SS..Hα-helixtrans-64.3-42175.4-75170.3-175.100112.3K213 Q214 R215 T221K213-E217 WeakPolarHBondContact CE-OE1 3.41Å; K213-E217 IonicContact NZ-OE1 2.68Å; K213-E217 WeakPolarHBondContact O-CB 3.44Å; K213-E217 VanDerWaalsContact O-CG 3.31Å; K213-E217 WeakPolarHBondContact O-CG 3.38Å; K213-E217 PolarHBondContact O-N 3.03Å; Q214-E217 PolarHBondContact O-N 2.87Å; R215-E217 VanDerWaalsContact C-N 3.35Å; E217-T221 VanDerWaalsContact O-CB 3.31Å; E217-T221 WeakPolarHBondContact O-CB 3.44Å; E217-T221 PolarHBondContact O-N 3.02Å; E217-T221 PolarHBondContact O-OG1 3.21Å
218Q95.7Very high93.9Very high89 Ų8966.4 Ų66.442%0.41631%0.309SS..Hα-helixtrans-64.2-45.2177.3-175.6-176.8-4.900111.7Q214 R215 T221 N222 I539Q214-Q218 WeakPolarHBondContact O-CB 3.37Å; Q214-Q218 PolarHBondContact O-N 2.87Å; R215-Q218 PolarHBondContact O-N 2.81Å; Q218-T221 PolarHBondContact O-N 3.35Å; Q218-N222 WeakPolarHBondContact O-CB 3.49Å; Q218-N222 PolarHBondContact O-N 2.92Å; Q218-I539 HydrophobicContact CG-CD1 4.01Å; Q218-I539 HydrophobicContact CG-CG1 4.4Å
219L96.1Very high94.1Very high2 Ų262.7 Ų62.71%0.0130%0.295CS..Hα-helixtrans-59.5-50.8176.7176.564.5000110.5R215 T221 N222 V223 I235 L246 L249 L250 I354 I539 Y541R215-L219 WeakPolarHBondContact O-CB 3.33Å; R215-L219 PolarHBondContact O-N 2.87Å; L219-T221 VanDerWaalsContact C-N 3.34Å; L219-T221 PolarHBondContact O-N 2.8Å; L219-N222 PolarHBondContact O-N 3.06Å; L219-V223 HydrophobicContact CD1-CG2 4.15Å; L219-V223 WeakPolarHBondContact O-CB 3.48Å; L219-V223 VanDerWaalsContact O-CG2 3.24Å; L219-V223 WeakPolarHBondContact O-CG2 3.09Å; L219-V223 PolarHBondContact O-N 2.78Å; L219-I235 HydrophobicContact CD1-CD1 4.46Å; L219-L246 HydrophobicContact CD2-CD2 3.89Å; L219-L249 HydrophobicContact CD2-CD2 3.96Å; L219-L250 HydrophobicContact CD2-CD2 4.45Å; L219-I354 HydrophobicContact CD1-CD1 3.73Å; L219-I354 HydrophobicContact CD1-CG2 4.13Å; L219-I539 HydrophobicContact CB-CD1 4.05Å; L219-I539 HydrophobicContact CD1-CD1 4.14Å; L219-Y541 HydrophobicContact CB-CE2 4.2Å; L219-Y541 HydrophobicContact CD2-CE2 3.79Å; L219-Y541 WeakPolarHBondContact CD2-OH 3.27Å; L219-Y541 HydrophobicContact CG-CE2 4.45Å
220L94.3Very high94.4Very high54 Ų5466.4 Ų66.428%0.28332%0.316SS..Hα-helixtrans-61.7-42.6-179.4-178.956.9000112D216 V223 M224 I253 L261D216-L220 WeakPolarHBondContact O-CB 3.33Å; D216-L220 PolarHBondContact O-N 3.22Å; L220-V223 PolarHBondContact O-N 2.96Å; L220-M224 HydrophobicContact CD1-CG 3.86Å; L220-M224 HydrophobicContact CG-CG 4.31Å; L220-M224 WeakPolarHBondContact O-CB 3.36Å; L220-M224 VanDerWaalsContact O-CG 3.24Å; L220-M224 WeakPolarHBondContact O-CG 3.4Å; L220-M224 PolarHBondContact O-N 3.29Å; L220-I253 HydrophobicContact CD1-CD1 4.47Å; L220-I253 HydrophobicContact CD1-CG2 3.71Å; L220-L261 HydrophobicContact CD1-CD1 3.73Å
221T95.1Very high94.6Very high73 Ų7364.2 Ų64.245%0.44830%0.302SS..Hα-helixtrans-62.4-47.3178.1-58.10000110.7E217 Q218 L219 V223 M224 E225E217-T221 VanDerWaalsContact O-CB 3.31Å; E217-T221 WeakPolarHBondContact O-CB 3.44Å; E217-T221 PolarHBondContact O-N 3.02Å; E217-T221 PolarHBondContact O-OG1 3.21Å; Q218-T221 PolarHBondContact O-N 3.35Å; L219-T221 VanDerWaalsContact C-N 3.34Å; L219-T221 PolarHBondContact O-N 2.8Å; T221-V223 PolarHBondContact O-N 2.67Å; T221-M224 PolarHBondContact O-N 2.89Å; T221-E225 HydrophobicContact CG2-CG 4.38Å; T221-E225 WeakPolarHBondContact O-CB 3.11Å; T221-E225 VanDerWaalsContact O-CG 3.31Å; T221-E225 WeakPolarHBondContact O-CG 3.29Å; T221-E225 PolarHBondContact O-N 2.63Å
222N96.4Very high95Very high9 Ų956 Ų565%0.04827%0.272CS..Hα-helixtrans-58.5-51.5178.3-172.5-17.9000110.9Q218 L219 M224 E225 T226 S352 I354 R535 T537Q218-N222 WeakPolarHBondContact O-CB 3.49Å; Q218-N222 PolarHBondContact O-N 2.92Å; L219-N222 PolarHBondContact O-N 3.06Å; N222-M224 PolarHBondContact O-N 3.48Å; N222-E225 PolarHBondContact O-N 2.67Å; N222-T226 WeakPolarHBondContact O-CB 2.97Å; N222-T226 PolarHBondContact O-N 3.47Å; N222-T226 VanDerWaalsContact O-N 3.09Å; N222-T226 PolarHBondContact O-OG1 3.31Å; N222-T226 VanDerWaalsContact O-OG1 3.13Å; N222-S352 PolarHBondContact OD1-OG 3.06Å; N222-I354 HydrophobicContact CB-CD1 4.24Å; N222-R535 PolarHBondContact O-NH2 3.35Å; N222-R535 VanDerWaalsContact OD1-CZ 3.23Å; N222-R535 PolarHBondContact OD1-NE 2.82Å; N222-R535 PolarHBondContact OD1-NH2 2.92Å; N222-T537 PolarHBondContact ND2-OG1 3.36Å
223V96.3Very high95.3Very high0 Ų052.4 Ų52.40%026%0.259CS..Hα-helixtrans-59.2-48.3179.4170.40000111.8L219 L220 T221 T226 L227 V233 W254 V325 I354L219-V223 HydrophobicContact CD1-CG2 4.15Å; L219-V223 WeakPolarHBondContact O-CB 3.48Å; L219-V223 VanDerWaalsContact O-CG2 3.24Å; L219-V223 WeakPolarHBondContact O-CG2 3.09Å; L219-V223 PolarHBondContact O-N 2.78Å; L220-V223 PolarHBondContact O-N 2.96Å; T221-V223 PolarHBondContact O-N 2.67Å; V223-T226 PolarHBondContact O-N 2.74Å; V223-L227 HydrophobicContact CG1-CD1 3.73Å; V223-L227 HydrophobicContact CG1-CG 4.39Å; V223-L227 WeakPolarHBondContact O-CB 3.23Å; V223-L227 VanDerWaalsContact O-CG 3.27Å; V223-L227 WeakPolarHBondContact O-CG 3.43Å; V223-L227 PolarHBondContact O-N 2.72Å; V223-V233 HydrophobicContact CG2-CG1 4.27Å; V223-W254 HydrophobicContact CG1-CH2 3.73Å; V223-W254 HydrophobicContact CG1-CZ3 4.4Å; V223-V325 HydrophobicContact CG1-CG2 3.85Å; V223-I354 HydrophobicContact CG2-CD1 4Å
224M94.1Very high95.7Very high27 Ų2745.3 Ų45.313%0.13323%0.228CC..Hα-helixtrans-63.6-44.1-178.6-80.7-84-93.800113L220 T221 N222 R228 A259 L261L220-M224 HydrophobicContact CD1-CG 3.86Å; L220-M224 HydrophobicContact CG-CG 4.31Å; L220-M224 WeakPolarHBondContact O-CB 3.36Å; L220-M224 VanDerWaalsContact O-CG 3.24Å; L220-M224 WeakPolarHBondContact O-CG 3.4Å; L220-M224 PolarHBondContact O-N 3.29Å; T221-M224 PolarHBondContact O-N 2.89Å; N222-M224 PolarHBondContact O-N 3.48Å; M224-R228 VanDerWaalsContact O-CB 3.3Å; M224-R228 WeakPolarHBondContact O-CB 3.49Å; M224-R228 WeakPolarHBondContact O-CG 3.13Å; M224-R228 PolarHBondContact O-N 3Å; M224-A259 VanDerWaalsContact CE-O 3.3Å; M224-A259 WeakPolarHBondContact CE-O 3.43Å; M224-L261 HydrophobicContact CG-CD1 4.16Å; M224-L261 HydrophobicContact CG-CD2 4.14Å; M224-L261 HydrophobicContact CG-CG 4.4Å; M224-L261 HydrophobicContact SD-CD1 3.83Å; M224-L261 HydrophobicContact SD-CD2 3.34Å; M224-L261 WeakPolarHBondContact SD-CD2 3.33Å; M224-L261 HydrophobicContact SD-CG 3.48Å; M224-L261 WeakPolarHBondContact SD-CG 3.38Å
225E95.7Very high95.9Very high106 Ų10640.2 Ų40.250%0.49520%0.204SC..Hα-helixtrans-62-44.5177.4-75.8178.5173.300111.6T221 N222 G229 R535T221-E225 HydrophobicContact CG2-CG 4.38Å; T221-E225 WeakPolarHBondContact O-CB 3.11Å; T221-E225 VanDerWaalsContact O-CG 3.31Å; T221-E225 WeakPolarHBondContact O-CG 3.29Å; T221-E225 PolarHBondContact O-N 2.63Å; N222-E225 PolarHBondContact O-N 2.67Å; E225-G229 PolarHBondContact O-N 2.85Å; E225-R535 IonicContact OE2-CZ 2.74Å; E225-R535 IonicContact OE2-NH1 3.53Å; E225-R535 PolarHBondContact OE2-NH1 3.39Å; E225-R535 IonicContact OE2-NH2 3.99Å
226T97Very high96Very high8 Ų839.9 Ų39.95%0.04920%0.203CC..Hα-helixtrans-65-47.3179.9-65.30000111.9N222 V223 R228 G229 N230 G231 N232 V233 K350 S352 R535N222-T226 WeakPolarHBondContact O-CB 2.97Å; N222-T226 PolarHBondContact O-N 3.47Å; N222-T226 VanDerWaalsContact O-N 3.09Å; N222-T226 PolarHBondContact O-OG1 3.31Å; N222-T226 VanDerWaalsContact O-OG1 3.13Å; V223-T226 PolarHBondContact O-N 2.74Å; T226-R228 PolarHBondContact O-N 3.14Å; T226-G229 CarbonylContact O-C 3.56Å; T226-G229 WeakPolarHBondContact O-CA 3.43Å; T226-G229 PolarHBondContact O-N 2.76Å; T226-G229 VanDerWaalsContact O-N 3.15Å; T226-N230 PolarHBondContact O-N 2.98Å; T226-G231 PolarHBondContact O-N 2.7Å; T226-N232 WeakPolarHBondContact CG2-O 3.48Å; T226-V233 HydrophobicContact CG2-CG2 3.46Å; T226-V233 VanDerWaalsContact CG2-CG2 3.46Å; T226-K350 WeakPolarHBondContact CG2-O 3.26Å; T226-S352 VanDerWaalsContact OG1-CB 3.28Å; T226-S352 WeakPolarHBondContact OG1-CB 3.42Å; T226-R535 PolarHBondContact OG1-NH2 3.32Å; T226-R535 VanDerWaalsContact OG1-NH2 3.08Å
227L95.8Very high96.1Very high1 Ų138.5 Ų38.51%0.00520%0.196CC..Hα-helixtrans-64.1-43179.4-68.4172.8000111.9V223 G229 N230 V233 W254 L261 Y264 P323 V325V223-L227 HydrophobicContact CG1-CD1 3.73Å; V223-L227 HydrophobicContact CG1-CG 4.39Å; V223-L227 WeakPolarHBondContact O-CB 3.23Å; V223-L227 VanDerWaalsContact O-CG 3.27Å; V223-L227 WeakPolarHBondContact O-CG 3.43Å; V223-L227 PolarHBondContact O-N 2.72Å; L227-G229 PolarHBondContact O-N 3.14Å; L227-N230 WeakPolarHBondContact O-CA 3.26Å; L227-N230 PolarHBondContact O-N 3.04Å; L227-V233 HydrophobicContact CG-CG2 4.49Å; L227-W254 HydrophobicContact CD1-CH2 4.37Å; L227-W254 HydrophobicContact CD1-CZ2 4.23Å; L227-L261 HydrophobicContact CD1-CD2 3.63Å; L227-Y264 HydrophobicContact CB-CD1 4.41Å; L227-Y264 HydrophobicContact CB-CD2 4.13Å; L227-Y264 HydrophobicContact CB-CE1 4.37Å; L227-Y264 HydrophobicContact CB-CE2 4.1Å; L227-Y264 HydrophobicContact CB-CG 4.27Å; L227-Y264 HydrophobicContact CD1-CD2 3.88Å; L227-Y264 HydrophobicContact CD1-CG 3.98Å; L227-Y264 HydrophobicContact CD2-CD1 4.38Å; L227-Y264 HydrophobicContact CD2-CG 4.27Å; L227-Y264 HydrophobicContact CG-CG 4.41Å; L227-P323 HydrophobicContact CD2-CB 4.01Å; L227-P323 HydrophobicContact CD2-CG 4.46Å; L227-V325 HydrophobicContact CD1-CG2 3.75Å; L227-V325 HydrophobicContact CD2-CG2 3.91Å; L227-V325 HydrophobicContact CG-CG2 4.15Å
228R94.2Very high96.2Very high174 Ų17434.2 Ų34.266%0.65718%0.176SC*.Hα-helixtrans-65.6-27.5175.5-71.9174.2177179.5-2.7112.7M224 T226 N230M224-R228 VanDerWaalsContact O-CB 3.3Å; M224-R228 WeakPolarHBondContact O-CB 3.49Å; M224-R228 WeakPolarHBondContact O-CG 3.13Å; M224-R228 PolarHBondContact O-N 3Å; T226-R228 PolarHBondContact O-N 3.14Å; R228-N230 PolarHBondContact O-N 3.05Å
229G95.2Very high96.2Very high41 Ų4130 Ų3042%0.42316%0.156SC..THydrogen-bonded Turntrans-75.22170.500000114.6E225 T226 L227 G231E225-G229 PolarHBondContact O-N 2.85Å; T226-G229 CarbonylContact O-C 3.56Å; T226-G229 WeakPolarHBondContact O-CA 3.43Å; T226-G229 PolarHBondContact O-N 2.76Å; T226-G229 VanDerWaalsContact O-N 3.15Å; L227-G229 PolarHBondContact O-N 3.14Å; G229-G231 VanDerWaalsContact C-N 3.31Å
230N95.8Very high96.1Very high102 Ų10229.9 Ų29.955%0.54516%0.156SC..THydrogen-bonded Turntrans59.240.1-174-161.923.5000112.8T226 L227 R228 P323T226-N230 PolarHBondContact O-N 2.98Å; L227-N230 WeakPolarHBondContact O-CA 3.26Å; L227-N230 PolarHBondContact O-N 3.04Å; R228-N230 PolarHBondContact O-N 3.05Å; N230-P323 WeakPolarHBondContact OD1-CD 3.33Å
231G97Very high96.1Very high1 Ų127.3 Ų27.31%0.0114%0.142CC..  trans-114.3158.6173.900000112.2T226 G229 P323 K350T226-G231 PolarHBondContact O-N 2.7Å; G229-G231 VanDerWaalsContact C-N 3.31Å; G231-P323 VanDerWaalsContact O-CB 3.26Å; G231-P323 WeakPolarHBondContact O-CB 3.44Å; G231-K350 WeakPolarHBondContact CA-O 3.39Å
232N97.8Very high96.1Very high21 Ų2124 Ų2411%0.11212%0.122CC..  trans-89.5151.6175.3-61.7-37.4000110.9T226 P323 K324 W345 N351 S352T226-N232 WeakPolarHBondContact CG2-O 3.48Å; N232-P323 WeakPolarHBondContact OD1-CA 3.11Å; N232-K324 WeakPolarHBondContact CA-O 3.46Å; N232-K324 PolarHBondContact OD1-N 3.3Å; N232-K324 VanDerWaalsContact OD1-N 3.13Å; N232-W345 HydrophobicContact CB-CD2 4.08Å; N232-W345 HydrophobicContact CB-CE3 3.77Å; N232-W345 HydrophobicContact CB-CH2 3.72Å; N232-W345 HydrophobicContact CB-CZ2 4.03Å; N232-W345 HydrophobicContact CB-CZ3 3.6Å; N232-N351 PolarHBondContact N-OD1 3.49Å; N232-N351 VanDerWaalsContact O-CA 3.29Å; N232-N351 WeakPolarHBondContact O-CA 3.2Å; N232-S352 PolarHBondContact O-N 3.04Å
233V98.4Very high96.1Very high0 Ų023.7 Ų23.70%012%0.12CC..EExtended strand (participates in β ladder)trans-112.8120.6173.7-174.20000109.1V223 T226 L227 I235 K324 V325 V326 S352 I354V223-V233 HydrophobicContact CG2-CG1 4.27Å; T226-V233 HydrophobicContact CG2-CG2 3.46Å; T226-V233 VanDerWaalsContact CG2-CG2 3.46Å; L227-V233 HydrophobicContact CG-CG2 4.49Å; V233-I235 HydrophobicContact CG1-CD1 4.43Å; V233-I235 HydrophobicContact CG1-CG1 3.86Å; V233-K324 PolarHBondContact N-O 3.33Å; V233-V325 HydrophobicContact CB-CB 4.43Å; V233-V325 HydrophobicContact CB-CG1 4.2Å; V233-V325 HydrophobicContact CB-CG2 4.11Å; V233-V325 HydrophobicContact CG1-CG1 4.42Å; V233-V325 HydrophobicContact CG2-CG2 4.24Å; V233-V325 WeakPolarHBondContact O-CA 3.37Å; V233-V326 PolarHBondContact O-N 3.39Å; V233-S352 WeakPolarHBondContact CA-O 3.3Å; V233-I354 HydrophobicContact CG1-CD1 3.73Å; V233-I354 HydrophobicContact CG1-CG1 4.07Å
234L98.2Very high96.1Very high0 Ų023.9 Ų23.90%012%0.121CC..EExtended strand (participates in β ladder)trans-94.7127.1165.8172.161.7000108.2C328 L341 F342 W345 S352 I353 I354L234-C328 HydrophobicContact CD1-CB 3.72Å; L234-C328 WeakPolarHBondContact CD1-SG 3.22Å; L234-L341 HydrophobicContact CD1-CB 4.17Å; L234-L341 HydrophobicContact CD1-CD1 4.33Å; L234-L341 HydrophobicContact CD2-CB 4.2Å; L234-F342 HydrophobicContact CD2-CB 4.15Å; L234-W345 HydrophobicContact CB-CE3 3.89Å; L234-W345 HydrophobicContact CB-CZ3 4.02Å; L234-S352 PolarHBondContact N-O 3.01Å; L234-I353 HydrophobicContact CB-CG1 4.32Å; L234-I353 HydrophobicContact CD2-CG1 4.33Å; L234-I353 HydrophobicContact CD2-CG2 4.24Å; L234-I353 CarbonylContact O-C 3.53Å; L234-I353 WeakPolarHBondContact O-CA 3.39Å; L234-I354 PolarHBondContact O-N 3.1Å
235I98.3Very high96.2Very high0 Ų022.6 Ų22.60%011%0.114CC..EExtended strand (participates in β ladder)trans-116.9110.9171.6-51.3-178.2000107L219 V233 V237 L246 L250 V325 V326 L327 C328 I354 T356L219-I235 HydrophobicContact CD1-CD1 4.46Å; V233-I235 HydrophobicContact CG1-CD1 4.43Å; V233-I235 HydrophobicContact CG1-CG1 3.86Å; I235-V237 HydrophobicContact CG2-CG1 3.74Å; I235-V237 PolarHBondContact O-N 2.81Å; I235-L246 HydrophobicContact CG2-CD1 4.42Å; I235-L250 HydrophobicContact CD1-CD1 3.92Å; I235-V325 HydrophobicContact CD1-CG1 3.75Å; I235-V325 HydrophobicContact CG1-CG1 4.25Å; I235-V326 PolarHBondContact N-O 2.97Å; I235-L327 HydrophobicContact CB-CD2 3.93Å; I235-L327 HydrophobicContact CD1-CD2 4.03Å; I235-L327 HydrophobicContact CG2-CD2 3.95Å; I235-C328 PolarHBondContact O-N 2.99Å; I235-I354 WeakPolarHBondContact CA-O 3.43Å; I235-I354 HydrophobicContact CG1-CB 4.25Å; I235-I354 HydrophobicContact CG1-CD1 4.42Å; I235-I354 HydrophobicContact CG2-CB 4.43Å; I235-T356 HydrophobicContact CG2-CG2 3.45Å; I235-T356 VanDerWaalsContact CG2-CG2 3.45Å
236A97.4Very high96.2Very high0 Ų017.6 Ų17.60%09%0.091CC..EExtended strand (participates in β ladder)trans-78.9117.317700000108.8L333 I354 L355 T356A236-L333 HydrophobicContact CB-CD2 4.05Å; A236-I354 PolarHBondContact N-O 3.33Å; A236-L355 HydrophobicContact CB-CD2 3.92Å; A236-T356 PolarHBondContact O-OG1 3.07Å
237V96.3Very high96.1Very high0 Ų017.3 Ų17.30%09%0.09CC..  trans-134.9171.3-176.3-61.90000109.8I235 V243 L246 L327 C328 S329 Q330 P331 T356I235-V237 HydrophobicContact CG2-CG1 3.74Å; I235-V237 PolarHBondContact O-N 2.81Å; V237-V243 HydrophobicContact CB-CB 4.24Å; V237-V243 HydrophobicContact CB-CG2 4.43Å; V237-V243 HydrophobicContact CG2-CB 3.98Å; V237-V243 HydrophobicContact CG2-CG2 3.71Å; V237-L246 HydrophobicContact CG1-CD1 3.37Å; V237-L327 HydrophobicContact CG1-CD2 3.96Å; V237-L327 HydrophobicContact CG2-CB 4.09Å; V237-C328 VanDerWaalsContact CG2-O 3.31Å; V237-C328 WeakPolarHBondContact CG2-O 3.35Å; V237-C328 PolarHBondContact N-O 3.2Å; V237-C328 VanDerWaalsContact O-O 3.05Å; V237-S329 CarbonylContact O-C 3.56Å; V237-S329 WeakPolarHBondContact O-CA 3.43Å; V237-Q330 CarbonylContact O-C 3.54Å; V237-Q330 PolarHBondContact O-N 2.76Å; V237-P331 WeakPolarHBondContact O-CD 3.46Å; V237-T356 HydrophobicContact CG1-CG2 4.41Å
238D95.4Very high96.1Very high10 Ų1017.8 Ų17.85%0.0539%0.092CC..  trans-79.2172.4172.569.5-38.7000112.2F97 G241 R242 V243F97-D238 HydrophobicContact CE1-CB 3.86Å; F97-D238 HydrophobicContact CZ-CB 3.99Å; F97-D238 WeakPolarHBondContact CZ-OD2 3.47Å; D238-G241 WeakPolarHBondContact OD2-CA 3.37Å; D238-G241 PolarHBondContact OD2-N 3.4Å; D238-R242 WeakPolarHBondContact OD1-CA 3.37Å; D238-R242 VanDerWaalsContact OD1-CB 3.29Å; D238-R242 WeakPolarHBondContact OD1-CB 3.47Å; D238-R242 PolarHBondContact OD1-N 2.86Å; D238-R242 PolarHBondContact OD2-N 2.82Å; D238-V243 WeakPolarHBondContact O-CB 3.42Å; D238-V243 PolarHBondContact OD1-N 2.94Å
239T94.8Very high96.1Very high1 Ų110 Ų101%0.0066%0.063CC..SBendtrans-74.1-43.7-172.4-58.40000112.7D100 V243 N270 V272 V276D100-T239 HydrophobicContact CB-CG2 3.41Å; D100-T239 VanDerWaalsContact CB-CG2 3.41Å; D100-T239 WeakPolarHBondContact OD2-CG2 3.43Å; D100-T239 PolarHBondContact OD2-OG1 3.29Å; T239-V243 WeakPolarHBondContact O-CG1 3.48Å; T239-N270 WeakPolarHBondContact CG2-ND2 3.38Å; T239-N270 PolarHBondContact O-ND2 3.23Å; T239-V272 HydrophobicContact CG2-CG2 4.22Å; T239-V276 HydrophobicContact CG2-CG2 4.5Å
240A95Very high96Very high0 Ų08.1 Ų8.10%04%0.043CC..SBendtrans-146.2-0.9-168.900000116.6M93 M96 F97 L244 V276M93-A240 HydrophobicContact CB-CB 3.99Å; M93-A240 HydrophobicContact CG-CB 4.36Å; M93-A240 HydrophobicContact SD-CB 3.87Å; M96-A240 HydrophobicContact CB-CB 4.35Å; F97-A240 HydrophobicContact CD2-CB 4.03Å; F97-A240 HydrophobicContact CE2-CB 3.78Å; F97-A240 HydrophobicContact CZ-CB 4.46Å; A240-L244 WeakPolarHBondContact O-CD1 3.47Å; A240-V276 HydrophobicContact CB-CG1 3.9Å; A240-V276 HydrophobicContact CB-CG2 3.88Å
241G94.4Very high95.9Very high0 Ų03.3 Ų3.30%02%0.017CC..SBendtrans-99.1-92.4179.400000112.8D238 V243 L244D238-G241 WeakPolarHBondContact OD2-CA 3.37Å; D238-G241 PolarHBondContact OD2-N 3.4Å; G241-V243 PolarHBondContact O-N 3.39Å; G241-L244 VanDerWaalsContact O-CB 3.32Å; G241-L244 WeakPolarHBondContact O-CB 3.31Å; G241-L244 PolarHBondContact O-N 3.07Å; G241-L244 VanDerWaalsContact O-N 3.09Å
242R94.9Very high95.5Very high4 Ų46.9 Ų6.92%0.0153%0.034CC..THydrogen-bonded Turntrans-63-25.4-176.4-55.4-56.2-56.5155.63.3113.4H153 M154 E181 D238 L244 E245 L246 Y541 E542H153-R242 WeakPolarHBondContact O-CD 3.2Å; H153-R242 PolarHBondContact O-NH1 3.38Å; M154-R242 HydrophobicContact CE-CG 4.31Å; E181-R242 IonicContact OE1-CZ 2.79Å; E181-R242 IonicContact OE1-NH1 3.05Å; E181-R242 IonicContact OE1-NH2 3.48Å; E181-R242 PolarHBondContact OE1-NH2 2.94Å; E181-R242 IonicContact OE2-CZ 3.18Å; E181-R242 IonicContact OE2-NH1 2.64Å; E181-R242 PolarHBondContact OE2-NH1 3.45Å; E181-R242 IonicContact OE2-NH2 3.67Å; E181-R242 PolarHBondContact OE2-NH2 3.29Å; D238-R242 WeakPolarHBondContact OD1-CA 3.37Å; D238-R242 VanDerWaalsContact OD1-CB 3.29Å; D238-R242 WeakPolarHBondContact OD1-CB 3.47Å; D238-R242 PolarHBondContact OD1-N 2.86Å; D238-R242 PolarHBondContact OD2-N 2.82Å; R242-L244 PolarHBondContact O-N 2.85Å; R242-E245 WeakPolarHBondContact O-CB 3.26Å; R242-E245 PolarHBondContact O-N 3.03Å; R242-L246 PolarHBondContact O-N 3.02Å; R242-Y541 PolarHBondContact NE-O 2.81Å; R242-Y541 PolarHBondContact NH2-O 2.74Å; R242-E542 WeakPolarHBondContact CD-O 3.25Å; R242-E542 PolarHBondContact NE-O 2.9Å
243V96.4Very high95.2Very high2 Ų27.4 Ų7.41%0.0124%0.037CC..Hα-helixtrans-56-30.2172.465.90000112.1V237 D238 T239 G241 L246 A247 L268V237-V243 HydrophobicContact CB-CB 4.24Å; V237-V243 HydrophobicContact CB-CG2 4.43Å; V237-V243 HydrophobicContact CG2-CB 3.98Å; V237-V243 HydrophobicContact CG2-CG2 3.71Å; D238-V243 WeakPolarHBondContact O-CB 3.42Å; D238-V243 PolarHBondContact OD1-N 2.94Å; T239-V243 WeakPolarHBondContact O-CG1 3.48Å; G241-V243 PolarHBondContact O-N 3.39Å; V243-L246 PolarHBondContact O-N 3.28Å; V243-A247 WeakPolarHBondContact O-CB 3.34Å; V243-A247 PolarHBondContact O-N 3.17Å; V243-L268 HydrophobicContact CG2-CD1 3.45Å; V243-L268 VanDerWaalsContact CG2-CD1 3.45Å
244L96.1Very high94.9Very high3 Ų37.8 Ų7.82%0.0164%0.038CC..Hα-helixtrans-67.4-37.7176-61.1-176.8000112M93 I155 A240 G241 R242 Q248 V276 F303M93-L244 HydrophobicContact CE-CD1 4.28Å; I155-L244 HydrophobicContact CB-CD1 4.4Å; I155-L244 HydrophobicContact CD1-CD1 4.31Å; I155-L244 HydrophobicContact CG2-CD1 3.99Å; A240-L244 WeakPolarHBondContact O-CD1 3.47Å; G241-L244 VanDerWaalsContact O-CB 3.32Å; G241-L244 WeakPolarHBondContact O-CB 3.31Å; G241-L244 PolarHBondContact O-N 3.07Å; G241-L244 VanDerWaalsContact O-N 3.09Å; R242-L244 PolarHBondContact O-N 2.85Å; L244-Q248 WeakPolarHBondContact O-CB 3.29Å; L244-Q248 PolarHBondContact O-N 2.82Å; L244-Q248 VanDerWaalsContact O-N 3.13Å; L244-V276 HydrophobicContact CD2-CG1 4.18Å; L244-F303 HydrophobicContact CB-CE1 3.82Å; L244-F303 HydrophobicContact CB-CZ 4.32Å; L244-F303 HydrophobicContact CD2-CD1 4.17Å; L244-F303 HydrophobicContact CD2-CE1 3.86Å; L244-F303 HydrophobicContact CG-CE1 4.27Å
245E95.5Very high94.4Very high1 Ų112.7 Ų12.71%0.0056%0.056CC..Hα-helixtrans-65.6-46.9174.1-177.768.3-171.700110.4I182 H183 R212 R242 Q248 L249I182-E245 WeakPolarHBondContact CB-OE1 3.36Å; I182-E245 WeakPolarHBondContact CB-OE2 3.34Å; I182-E245 WeakPolarHBondContact CG1-OE1 3.43Å; I182-E245 PolarHBondContact N-OE1 2.98Å; I182-E245 PolarHBondContact N-OE2 2.8Å; I182-E245 VanDerWaalsContact N-OE2 3.14Å; H183-E245 IonicContact CE1-OE2 3.7Å; H183-E245 IonicContact CG-OE2 2.77Å; H183-E245 PolarHBondContact N-OE2 2.72Å; H183-E245 IonicContact ND1-OE2 2.91Å; H183-E245 PolarHBondContact ND1-OE2 3.31Å; R212-E245 IonicContact CZ-OE1 3.55Å; R212-E245 IonicContact NE-OE1 3.54Å; R212-E245 IonicContact NH2-OE1 2.75Å; R212-E245 PolarHBondContact NH2-OE1 2.85Å; R242-E245 WeakPolarHBondContact O-CB 3.26Å; R242-E245 PolarHBondContact O-N 3.03Å; E245-Q248 PolarHBondContact O-N 3.38Å; E245-L249 VanDerWaalsContact O-CB 3.28Å; E245-L249 WeakPolarHBondContact O-CB 3.33Å; E245-L249 PolarHBondContact O-N 2.94Å
246L96Very high93.8Very high1 Ų116.1 Ų16.11%0.0058%0.077CC..Hα-helixtrans-70.9-42.6-177.5-76.1168.9000112.8L219 I235 V237 R242 V243 Q248 L249 L250 L327 T356 Y541L219-L246 HydrophobicContact CD2-CD2 3.89Å; I235-L246 HydrophobicContact CG2-CD1 4.42Å; V237-L246 HydrophobicContact CG1-CD1 3.37Å; R242-L246 PolarHBondContact O-N 3.02Å; V243-L246 PolarHBondContact O-N 3.28Å; L246-Q248 VanDerWaalsContact C-N 3.28Å; L246-Q248 PolarHBondContact O-N 3.44Å; L246-L249 HydrophobicContact CD2-CD2 4.47Å; L246-L249 PolarHBondContact O-N 3.23Å; L246-L250 WeakPolarHBondContact O-CB 3.4Å; L246-L250 VanDerWaalsContact O-CG 3.27Å; L246-L250 WeakPolarHBondContact O-CG 2.94Å; L246-L250 PolarHBondContact O-N 3.41Å; L246-L327 HydrophobicContact CB-CD2 4.16Å; L246-T356 HydrophobicContact CD1-CG2 3.78Å; L246-Y541 HydrophobicContact CD2-CD1 3.91Å; L246-Y541 HydrophobicContact CD2-CD2 3.97Å; L246-Y541 HydrophobicContact CD2-CE1 4.1Å; L246-Y541 HydrophobicContact CD2-CE2 4.14Å; L246-Y541 HydrophobicContact CD2-CG 3.85Å; L246-Y541 HydrophobicContact CG-CG 4.45Å
247A95.9Very high92.7Very high2 Ų225.5 Ų25.52%0.01712%0.118CC..Hα-helixtrans-59.4-43.1174.900000110.6V243 D251 F305 L308 L327V243-A247 WeakPolarHBondContact O-CB 3.34Å; V243-A247 PolarHBondContact O-N 3.17Å; A247-D251 WeakPolarHBondContact O-CB 3.43Å; A247-D251 PolarHBondContact O-N 3.1Å; A247-F305 HydrophobicContact CB-CE1 4.23Å; A247-F305 HydrophobicContact CB-CE2 4.27Å; A247-F305 HydrophobicContact CB-CZ 3.74Å; A247-L308 HydrophobicContact CB-CD2 4.11Å; A247-L327 HydrophobicContact CB-CD1 4.09Å
248Q94.4Very high91.8Very high10 Ų1033.2 Ų33.25%0.04716%0.159CC..Hα-helixtrans-70.5-39.7178.7-17563.1-21.300113I182 L244 E245 L246 Q252 P302I182-Q248 HydrophobicContact CG2-CG 3.64Å; L244-Q248 WeakPolarHBondContact O-CB 3.29Å; L244-Q248 PolarHBondContact O-N 2.82Å; L244-Q248 VanDerWaalsContact O-N 3.13Å; E245-Q248 PolarHBondContact O-N 3.38Å; L246-Q248 VanDerWaalsContact C-N 3.28Å; L246-Q248 PolarHBondContact O-N 3.44Å; Q248-Q252 WeakPolarHBondContact O-CB 3.48Å; Q248-Q252 WeakPolarHBondContact O-CG 3.43Å; Q248-Q252 PolarHBondContact O-N 2.97Å; Q248-Q252 VanDerWaalsContact O-N 3.13Å; Q248-P302 PolarHBondContact NE2-O 3.19Å; Q248-P302 PolarHBondContact OE1-O 3.24Å
249L93.9Very high90.8Very high11 Ų1133.7 Ų33.76%0.05817%0.165CC..Hα-helixtrans-60.3-50.2173.8174.962.5000111.2I182 L219 E245 L246 Q252 I253 Y541I182-L249 HydrophobicContact CD1-CB 3.91Å; I182-L249 HydrophobicContact CD1-CD1 3.86Å; I182-L249 HydrophobicContact CD1-CG 4.46Å; L219-L249 HydrophobicContact CD2-CD2 3.96Å; E245-L249 VanDerWaalsContact O-CB 3.28Å; E245-L249 WeakPolarHBondContact O-CB 3.33Å; E245-L249 PolarHBondContact O-N 2.94Å; L246-L249 HydrophobicContact CD2-CD2 4.47Å; L246-L249 PolarHBondContact O-N 3.23Å; L249-Q252 PolarHBondContact O-N 3Å; L249-I253 HydrophobicContact CD1-CD1 3.93Å; L249-I253 HydrophobicContact CG-CD1 4.08Å; L249-I253 WeakPolarHBondContact O-CG1 3.37Å; L249-I253 PolarHBondContact O-N 3.17Å; L249-I253 VanDerWaalsContact O-N 3.1Å; L249-Y541 HydrophobicContact CD2-CE1 3.92Å
250L94.5Very high90.2Very high2 Ų235.9 Ų35.91%0.0119%0.188CC..Hα-helixtrans-68-44.2-177.2-67.7172000111.5L219 I235 L246 Q252 I253 W254 L266 L327L219-L250 HydrophobicContact CD2-CD2 4.45Å; I235-L250 HydrophobicContact CD1-CD1 3.92Å; L246-L250 WeakPolarHBondContact O-CB 3.4Å; L246-L250 VanDerWaalsContact O-CG 3.27Å; L246-L250 WeakPolarHBondContact O-CG 2.94Å; L246-L250 PolarHBondContact O-N 3.41Å; L250-Q252 VanDerWaalsContact C-N 3.3Å; L250-Q252 PolarHBondContact O-N 3.16Å; L250-I253 PolarHBondContact O-N 3.34Å; L250-I253 VanDerWaalsContact O-N 3.14Å; L250-W254 HydrophobicContact CB-CE3 4.39Å; L250-W254 HydrophobicContact CB-CZ3 4.39Å; L250-W254 HydrophobicContact CD2-CZ3 3.8Å; L250-W254 WeakPolarHBondContact O-CB 3.11Å; L250-W254 PolarHBondContact O-N 3.45Å; L250-L266 HydrophobicContact CB-CD1 4.4Å; L250-L266 HydrophobicContact CB-CD2 3.75Å; L250-L266 HydrophobicContact CD1-CD1 3.97Å; L250-L327 HydrophobicContact CD1-CD1 4.27Å; L250-L327 HydrophobicContact CD1-CD2 3.96Å; L250-L327 HydrophobicContact CD1-CG 4.32Å
251D92.8Very high89.8Confident0 Ų035.9 Ų35.90%019%0.188CC..Hα-helixtrans-64-35.2178.2-170.678.6000111.7A247 W254 R255 F305 R306 H307A247-D251 WeakPolarHBondContact O-CB 3.43Å; A247-D251 PolarHBondContact O-N 3.1Å; D251-W254 PolarHBondContact O-N 3.21Å; D251-R255 VanDerWaalsContact O-CG 3.25Å; D251-R255 WeakPolarHBondContact O-CG 3.32Å; D251-R255 PolarHBondContact O-N 3.31Å; D251-R255 IonicContact OD2-CZ 3.59Å; D251-R255 IonicContact OD2-NE 3.87Å; D251-R255 PolarHBondContact OD2-NE 3.07Å; D251-R255 IonicContact OD2-NH2 3.58Å; D251-R255 PolarHBondContact OD2-NH2 3.37Å; D251-F305 HydrophobicContact CB-CD1 3.7Å; D251-F305 HydrophobicContact CB-CE1 4.24Å; D251-R306 PolarHBondContact OD1-N 3.22Å; D251-H307 IonicContact OD1-CD2 3.65Å; D251-H307 PolarHBondContact OD1-N 3.05Å; D251-H307 VanDerWaalsContact OD1-N 3.09Å
252Q90Very high89.3Confident77 Ų7738.1 Ų38.136%0.3621%0.211SC..Hα-helixtrans-63.2-42.5172.2-75.3176.416.700112.7Q248 L249 L250 T256Q248-Q252 WeakPolarHBondContact O-CB 3.48Å; Q248-Q252 WeakPolarHBondContact O-CG 3.43Å; Q248-Q252 PolarHBondContact O-N 2.97Å; Q248-Q252 VanDerWaalsContact O-N 3.13Å; L249-Q252 PolarHBondContact O-N 3Å; L250-Q252 VanDerWaalsContact C-N 3.3Å; L250-Q252 PolarHBondContact O-N 3.16Å; Q252-T256 PolarHBondContact O-OG1 3.41Å
253I90.7Very high89Confident32 Ų3243.9 Ų43.916%0.16425%0.246CC..Hα-helixtrans-65.8-42.5176.1-69.2168.7000110.4L220 L249 L250 R255 T256 L261L220-I253 HydrophobicContact CD1-CD1 4.47Å; L220-I253 HydrophobicContact CD1-CG2 3.71Å; L249-I253 HydrophobicContact CD1-CD1 3.93Å; L249-I253 HydrophobicContact CG-CD1 4.08Å; L249-I253 WeakPolarHBondContact O-CG1 3.37Å; L249-I253 PolarHBondContact O-N 3.17Å; L249-I253 VanDerWaalsContact O-N 3.1Å; L250-I253 PolarHBondContact O-N 3.34Å; L250-I253 VanDerWaalsContact O-N 3.14Å; I253-R255 VanDerWaalsContact C-N 3.3Å; I253-R255 PolarHBondContact O-N 3.43Å; I253-T256 VanDerWaalsContact O-CB 3.31Å; I253-T256 WeakPolarHBondContact O-CB 3.33Å; I253-T256 PolarHBondContact O-N 2.89Å; I253-L261 HydrophobicContact CG2-CD1 3.73Å
254W92.3Very high88.9Confident7 Ų746.6 Ų46.63%0.02726%0.256CS..Hα-helixtrans-63.6-33.1-180-103.5-114.5000113.3V223 L227 L250 D251 T256 L261 Y264 H307 V325V223-W254 HydrophobicContact CG1-CH2 3.73Å; V223-W254 HydrophobicContact CG1-CZ3 4.4Å; L227-W254 HydrophobicContact CD1-CH2 4.37Å; L227-W254 HydrophobicContact CD1-CZ2 4.23Å; L250-W254 HydrophobicContact CB-CE3 4.39Å; L250-W254 HydrophobicContact CB-CZ3 4.39Å; L250-W254 HydrophobicContact CD2-CZ3 3.8Å; L250-W254 WeakPolarHBondContact O-CB 3.11Å; L250-W254 PolarHBondContact O-N 3.45Å; D251-W254 PolarHBondContact O-N 3.21Å; W254-T256 PolarHBondContact O-N 2.95Å; W254-L261 HydrophobicContact CD2-CB 3.96Å; W254-L261 HydrophobicContact CD2-CD1 4.48Å; W254-L261 HydrophobicContact CE3-CB 4.24Å; W254-L261 HydrophobicContact CE3-CD1 3.92Å; W254-L261 HydrophobicContact CG-CB 4.37Å; W254-L261 HydrophobicContact CH2-CD1 4.05Å; W254-L261 HydrophobicContact CH2-CD2 4.13Å; W254-L261 HydrophobicContact CH2-CG 4.49Å; W254-L261 HydrophobicContact CZ2-CB 4.27Å; W254-L261 HydrophobicContact CZ2-CD2 4.15Å; W254-L261 HydrophobicContact CZ3-CD1 3.7Å; W254-L261 PolarHBondContact NE1-O 3.48Å; W254-Y264 PolarHBondContact NE1-O 3.26Å; W254-H307 HydrophobicContact CB-CB 4.04Å; W254-H307 HydrophobicContact CG-CB 4.24Å; W254-V325 HydrophobicContact CH2-CG2 3.93Å; W254-V325 HydrophobicContact CZ2-CG2 3.97Å
255R87.8Confident88.9Confident103 Ų10347.5 Ų47.539%0.38926%0.263SS..Hα-helixtrans-67.3-22.3173.6-70.8170.4-168.2-155.52.4112.8D251 I253 K257 Q304D251-R255 VanDerWaalsContact O-CG 3.25Å; D251-R255 WeakPolarHBondContact O-CG 3.32Å; D251-R255 PolarHBondContact O-N 3.31Å; D251-R255 IonicContact OD2-CZ 3.59Å; D251-R255 IonicContact OD2-NE 3.87Å; D251-R255 PolarHBondContact OD2-NE 3.07Å; D251-R255 IonicContact OD2-NH2 3.58Å; D251-R255 PolarHBondContact OD2-NH2 3.37Å; I253-R255 VanDerWaalsContact C-N 3.3Å; I253-R255 PolarHBondContact O-N 3.43Å; R255-K257 PolarHBondContact O-N 2.96Å; R255-Q304 PolarHBondContact NH2-O 2.86Å
256T86.1Confident88.9Confident72 Ų7247.5 Ų47.544%0.44226%0.262SS..  trans-79.7110.2-176.2-560000110.2Q252 I253 W254 D258 A259Q252-T256 PolarHBondContact O-OG1 3.41Å; I253-T256 VanDerWaalsContact O-CB 3.31Å; I253-T256 WeakPolarHBondContact O-CB 3.33Å; I253-T256 PolarHBondContact O-N 2.89Å; W254-T256 PolarHBondContact O-N 2.95Å; T256-D258 HydrophobicContact CG2-CB 4.35Å; T256-D258 PolarHBondContact O-N 3.05Å; T256-A259 PolarHBondContact O-N 3.24Å
257K73.1Confident88.9Confident197 Ų19747.4 Ų47.486%0.85726%0.262SS*.G310 helixtrans-59.3-31.9-175.1-68.8-171.5177.6-177.20113.8R255 A259 G260R255-K257 PolarHBondContact O-N 2.96Å; K257-A259 PolarHBondContact O-N 3.39Å; K257-G260 PolarHBondContact O-N 3.1Å; K257-G260 VanDerWaalsContact O-N 3.13Å
258D77.1Confident89Confident162 Ų16247.6 Ų47.687%0.86626%0.263SS*.G310 helixtrans-64.5-24-178-62.7-19.9000113.1T256T256-D258 HydrophobicContact CG2-CB 4.35Å; T256-D258 PolarHBondContact O-N 3.05Å
259A75.1Confident89.1Confident20 Ų2047.1 Ų47.117%0.16526%0.26CS..G310 helixtrans-75.9-23.6177.900000112.8M224 T256 K257 L261M224-A259 VanDerWaalsContact CE-O 3.3Å; M224-A259 WeakPolarHBondContact CE-O 3.43Å; T256-A259 PolarHBondContact O-N 3.24Å; K257-A259 PolarHBondContact O-N 3.39Å; A259-L261 HydrophobicContact CB-CB 4.36Å; A259-L261 HydrophobicContact CB-CD1 3.99Å; A259-L261 HydrophobicContact CB-CG 4.13Å; A259-L261 PolarHBondContact O-N 2.88Å; A259-L261 VanDerWaalsContact O-N 3.17Å
260G82.1Confident89.1Confident47 Ų4746.6 Ų46.649%0.48526%0.258SS..  trans63.414.5-175.600000114.4K257K257-G260 PolarHBondContact O-N 3.1Å; K257-G260 VanDerWaalsContact O-N 3.13Å
261L86.6Confident89.1Confident1 Ų147.8 Ų47.81%0.00526%0.264CS..G310 helixtrans-80-18.1-175.2-79.4169.9000114.1L220 M224 L227 I253 W254 A259 V263 Y264L220-L261 HydrophobicContact CD1-CD1 3.73Å; M224-L261 HydrophobicContact CG-CD1 4.16Å; M224-L261 HydrophobicContact CG-CD2 4.14Å; M224-L261 HydrophobicContact CG-CG 4.4Å; M224-L261 HydrophobicContact SD-CD1 3.83Å; M224-L261 HydrophobicContact SD-CD2 3.34Å; M224-L261 WeakPolarHBondContact SD-CD2 3.33Å; M224-L261 HydrophobicContact SD-CG 3.48Å; M224-L261 WeakPolarHBondContact SD-CG 3.38Å; L227-L261 HydrophobicContact CD1-CD2 3.63Å; I253-L261 HydrophobicContact CG2-CD1 3.73Å; W254-L261 HydrophobicContact CD2-CB 3.96Å; W254-L261 HydrophobicContact CD2-CD1 4.48Å; W254-L261 HydrophobicContact CE3-CB 4.24Å; W254-L261 HydrophobicContact CE3-CD1 3.92Å; W254-L261 HydrophobicContact CG-CB 4.37Å; W254-L261 HydrophobicContact CH2-CD1 4.05Å; W254-L261 HydrophobicContact CH2-CD2 4.13Å; W254-L261 HydrophobicContact CH2-CG 4.49Å; W254-L261 HydrophobicContact CZ2-CB 4.27Å; W254-L261 HydrophobicContact CZ2-CD2 4.15Å; W254-L261 HydrophobicContact CZ3-CD1 3.7Å; W254-L261 PolarHBondContact NE1-O 3.48Å; A259-L261 HydrophobicContact CB-CB 4.36Å; A259-L261 HydrophobicContact CB-CD1 3.99Å; A259-L261 HydrophobicContact CB-CG 4.13Å; A259-L261 PolarHBondContact O-N 2.88Å; A259-L261 VanDerWaalsContact O-N 3.17Å; L261-V263 PolarHBondContact O-N 3.19Å; L261-Y264 HydrophobicContact CD2-CD2 3.94Å; L261-Y264 HydrophobicContact CD2-CE2 4.48Å; L261-Y264 PolarHBondContact O-N 2.98Å
262G83.7Confident89.2Confident47 Ų4748.9 Ų48.949%0.48527%0.271SS..G310 helixtrans-62.3-7.2-177.400000115.7
263V89.1Confident89.3Confident124 Ų12445.2 Ų45.275%0.75225%0.254SS*.G310 helixtrans-81.2-25.4172.5-172.40000111.6L261L261-V263 PolarHBondContact O-N 3.19Å
264Y94.6Very high89.5Confident59 Ų5949.4 Ų49.423%0.23127%0.268CS..SBendtrans-93.8130.1-178.1-57.5-65.9000110.6L227 W254 L261 P323L227-Y264 HydrophobicContact CB-CD1 4.41Å; L227-Y264 HydrophobicContact CB-CD2 4.13Å; L227-Y264 HydrophobicContact CB-CE1 4.37Å; L227-Y264 HydrophobicContact CB-CE2 4.1Å; L227-Y264 HydrophobicContact CB-CG 4.27Å; L227-Y264 HydrophobicContact CD1-CD2 3.88Å; L227-Y264 HydrophobicContact CD1-CG 3.98Å; L227-Y264 HydrophobicContact CD2-CD1 4.38Å; L227-Y264 HydrophobicContact CD2-CG 4.27Å; L227-Y264 HydrophobicContact CG-CG 4.41Å; W254-Y264 PolarHBondContact NE1-O 3.26Å; L261-Y264 HydrophobicContact CD2-CD2 3.94Å; L261-Y264 HydrophobicContact CD2-CE2 4.48Å; L261-Y264 PolarHBondContact O-N 2.98Å; Y264-P323 HydrophobicContact CD1-CG 3.6Å; Y264-P323 HydrophobicContact CE1-CG 3.49Å; Y264-P323 VanDerWaalsContact CE1-CG 3.49Å
265P95.1Very high89.7Confident23 Ų2351.5 Ų51.515%0.14928%0.28CS..  trans-66.3142.2175.9-22.134.5000112.6V320 P321 P323 K324 V325P265-V320 HydrophobicContact CB-CG1 3.26Å; P265-V320 HydrophobicContact CG-CG1 3.74Å; P265-P321 HydrophobicContact CG-CB 4.3Å; P265-P321 HydrophobicContact CG-CG 4.45Å; P265-P323 WeakPolarHBondContact CD-O 3.32Å; P265-K324 HydrophobicContact CB-CB 4.39Å; P265-V325 PolarHBondContact O-N 3.21Å
266L95.8Very high90Very high0 Ų046.6 Ų46.60%026%0.262CS..EExtended strand (participates in β ladder)trans-111.6130.4168.2-17865.7000107.6L250 L308 N309 V325L250-L266 HydrophobicContact CB-CD1 4.4Å; L250-L266 HydrophobicContact CB-CD2 3.75Å; L250-L266 HydrophobicContact CD1-CD1 3.97Å; L266-L308 HydrophobicContact CB-CD1 4.42Å; L266-L308 HydrophobicContact CD2-CD1 3.77Å; L266-L308 HydrophobicContact CG-CD1 3.56Å; L266-N309 PolarHBondContact O-N 2.86Å; L266-V325 CarbonylContact C-O 3.58Å; L266-V325 WeakPolarHBondContact CA-O 3.38Å; L266-V325 HydrophobicContact CD1-CB 3.7Å; L266-V325 HydrophobicContact CD1-CG1 3.64Å
267A97.1Very high90.5Very high0 Ų043.4 Ų43.40%024%0.242CC..EExtended strand (participates in β ladder)trans-127.2145.6-178.600000111.9N309 L317 V325 V326 L327A267-N309 CarbonylContact C-O 3.52Å; A267-N309 WeakPolarHBondContact CA-O 3.46Å; A267-L317 HydrophobicContact CB-CD1 3.9Å; A267-V325 PolarHBondContact N-O 3.26Å; A267-V326 HydrophobicContact CB-CG1 4.29Å; A267-V326 HydrophobicContact CB-CG2 4.39Å; A267-V326 WeakPolarHBondContact O-CA 3.36Å; A267-L327 PolarHBondContact O-N 3.15Å
268L97.6Very high91.5Very high5 Ų537.7 Ų37.73%0.02622%0.218CC..EExtended strand (participates in β ladder)trans-111.6117168.2-18068.3000108.2V243 V277 L308 N309 L310 C311 L327V243-L268 HydrophobicContact CG2-CD1 3.45Å; V243-L268 VanDerWaalsContact CG2-CD1 3.45Å; L268-V277 HydrophobicContact CD2-CG2 3.95Å; L268-L308 HydrophobicContact CB-CD1 4.01Å; L268-L308 HydrophobicContact CB-CD2 4.08Å; L268-L308 HydrophobicContact CB-CG 4.11Å; L268-L308 HydrophobicContact CD2-CD2 4.41Å; L268-N309 PolarHBondContact N-O 2.89Å; L268-L310 HydrophobicContact CB-CD2 4.06Å; L268-L310 HydrophobicContact CD2-CD2 4.02Å; L268-C311 PolarHBondContact O-N 3.1Å; L268-L327 HydrophobicContact CD1-CB 3.72Å; L268-L327 HydrophobicContact CD1-CD1 4.38Å
269L96.4Very high92.4Very high0 Ų032.2 Ų32.20%019%0.187CC..EExtended strand (participates in β ladder)trans-113.7111.4-178.6-178.961.4000110.5C311 L314 L317 V326 L327 C328 S329 F337 L341L269-C311 HydrophobicContact CD1-CB 3.76Å; L269-L314 HydrophobicContact CD2-CD2 3.97Å; L269-L317 HydrophobicContact CD2-CD2 3.77Å; L269-V326 HydrophobicContact CB-CG1 3.81Å; L269-L327 PolarHBondContact N-O 3.42Å; L269-C328 WeakPolarHBondContact O-CA 3.48Å; L269-S329 PolarHBondContact O-N 2.88Å; L269-S329 VanDerWaalsContact O-N 3.16Å; L269-F337 HydrophobicContact CD1-CD2 3.88Å; L269-F337 HydrophobicContact CD1-CE2 4.04Å; L269-F337 HydrophobicContact CD1-CG 4.13Å; L269-F337 HydrophobicContact CD1-CZ 4.44Å; L269-F337 HydrophobicContact CD2-CB 3.48Å; L269-F337 VanDerWaalsContact CD2-CB 3.48Å; L269-F337 HydrophobicContact CD2-CD1 4.07Å; L269-F337 HydrophobicContact CD2-CD2 4.15Å; L269-F337 HydrophobicContact CD2-CG 3.65Å; L269-F337 HydrophobicContact CG-CB 3.76Å; L269-F337 HydrophobicContact CG-CD1 4.38Å; L269-F337 HydrophobicContact CG-CD2 3.62Å; L269-F337 HydrophobicContact CG-CE2 4.29Å; L269-F337 HydrophobicContact CG-CG 3.66Å; L269-L341 HydrophobicContact CD2-CD1 3.71Å
270N93.5Very high93.4Very high1 Ų131.3 Ų31.31%0.00518%0.179CC..  trans-157.7145179.5165.31.4000107D100 T239 V272 S273 C311D100-N270 PolarHBondContact OD1-OD1 3.4Å; D100-N270 PolarHBondContact OD2-OD1 2.84Å; T239-N270 WeakPolarHBondContact CG2-ND2 3.38Å; T239-N270 PolarHBondContact O-ND2 3.23Å; N270-V272 PolarHBondContact O-N 3.47Å; N270-V272 VanDerWaalsContact O-N 3.17Å; N270-V272 WeakPolarHBondContact OD1-CG2 3.33Å; N270-V272 PolarHBondContact OD1-N 3.14Å; N270-S273 PolarHBondContact O-N 3.41Å; N270-S273 PolarHBondContact O-OG 3.41Å; N270-C311 PolarHBondContact N-O 2.78Å; N270-C311 VanDerWaalsContact O-O 3.13Å
271N93.8Very high93.9Very high27 Ų2731 Ų3114%0.14417%0.165CC..THydrogen-bonded Turntrans-55.4-33.1177.2-64.1-73.1000112.1D100 Q103 S104 N107 H312 F337D100-N271 WeakPolarHBondContact OD1-CB 3.47Å; D100-N271 PolarHBondContact OD1-N 3.3Å; D100-N271 PolarHBondContact OD1-ND2 3.29Å; Q103-N271 HydrophobicContact CB-CB 4.11Å; Q103-N271 HydrophobicContact CG-CB 3.96Å; S104-N271 PolarHBondContact OG-ND2 3.46Å; S104-N271 VanDerWaalsContact OG-ND2 3.12Å; N107-N271 PolarHBondContact ND2-OD1 3.34Å; N271-H312 PolarHBondContact O-ND1 2.88Å; N271-F337 WeakPolarHBondContact OD1-CE2 3.31Å
272V95.1Very high94.2Very high22 Ų2234.5 Ų34.513%0.13319%0.189CC..THydrogen-bonded Turntrans-115.728-178.8-61.30000113.5M96 D100 T239 N270 Y274 N275 V276M96-V272 HydrophobicContact CB-CG2 4.1Å; M96-V272 HydrophobicContact SD-CB 4.16Å; M96-V272 HydrophobicContact SD-CG2 4.14Å; D100-V272 HydrophobicContact CB-CG2 4.09Å; T239-V272 HydrophobicContact CG2-CG2 4.22Å; N270-V272 PolarHBondContact O-N 3.47Å; N270-V272 VanDerWaalsContact O-N 3.17Å; N270-V272 WeakPolarHBondContact OD1-CG2 3.33Å; N270-V272 PolarHBondContact OD1-N 3.14Å; V272-Y274 VanDerWaalsContact C-N 3.33Å; V272-Y274 PolarHBondContact O-N 2.99Å; V272-N275 PolarHBondContact O-N 3.19Å; V272-N275 VanDerWaalsContact O-N 3.17Å; V272-V276 HydrophobicContact CG2-CG2 4.19Å; V272-V276 PolarHBondContact O-N 3.09Å
273S92.8Very high94.7Very high0 Ų032.6 Ų32.60%017%0.167CC..Hα-helixtrans-54.1-41.6-17360.40000114.6N270 V276 V277 C311 H312N270-S273 PolarHBondContact O-N 3.41Å; N270-S273 PolarHBondContact O-OG 3.41Å; S273-V276 PolarHBondContact O-N 3.25Å; S273-V277 PolarHBondContact O-N 2.8Å; S273-C311 PolarHBondContact OG-O 3Å; S273-H312 PolarHBondContact OG-CE1 2.87Å; S273-H312 VanDerWaalsContact OG-CE1 3.3Å
274Y94.6Very high94.9Very high121 Ų12127.1 Ų27.148%0.47513%0.134SC..Hα-helixtrans-57.6-52.5176179.2-96.9000112.5V272 V276 V277 E278 L310 H312V272-Y274 VanDerWaalsContact C-N 3.33Å; V272-Y274 PolarHBondContact O-N 2.99Å; Y274-V276 VanDerWaalsContact C-N 3.33Å; Y274-V276 PolarHBondContact O-N 3.47Å; Y274-V277 PolarHBondContact O-N 3.34Å; Y274-E278 HydrophobicContact CE1-CB 4.42Å; Y274-E278 WeakPolarHBondContact O-CB 3.36Å; Y274-E278 PolarHBondContact O-N 3.24Å; Y274-L310 HydrophobicContact CD2-CD1 4.36Å; Y274-H312 PolarHBondContact N-CE1 3.01Å
275N95.9Very high94.8Very high51 Ų5129.6 Ų29.627%0.27315%0.148SC..Hα-helixtrans-62.7-39-178.1-63.775.8000112M96 V272 V277 E278 F279M96-N275 HydrophobicContact SD-CB 3.55Å; M96-N275 VanDerWaalsContact SD-CB 3.55Å; V272-N275 PolarHBondContact O-N 3.19Å; V272-N275 VanDerWaalsContact O-N 3.17Å; N275-V277 PolarHBondContact O-N 3.48Å; N275-E278 PolarHBondContact O-N 2.91Å; N275-F279 HydrophobicContact CB-CD2 4.28Å; N275-F279 HydrophobicContact CB-CE2 3.9Å; N275-F279 WeakPolarHBondContact O-CB 3.28Å; N275-F279 WeakPolarHBondContact O-CD2 2.97Å; N275-F279 VanDerWaalsContact O-CG 3.26Å; N275-F279 WeakPolarHBondContact O-CG 3.47Å; N275-F279 PolarHBondContact O-N 2.9Å
276V95.3Very high94.8Very high0 Ų029.4 Ų29.40%014%0.144CC..Hα-helixtrans-57.7-49.4175.6172.10000111M96 T239 A240 L244 V272 S273 Y274 S280M96-V276 HydrophobicContact CB-CG2 3.99Å; M96-V276 HydrophobicContact CG-CG2 4.13Å; T239-V276 HydrophobicContact CG2-CG2 4.5Å; A240-V276 HydrophobicContact CB-CG1 3.9Å; A240-V276 HydrophobicContact CB-CG2 3.88Å; L244-V276 HydrophobicContact CD2-CG1 4.18Å; V272-V276 HydrophobicContact CG2-CG2 4.19Å; V272-V276 PolarHBondContact O-N 3.09Å; S273-V276 PolarHBondContact O-N 3.25Å; Y274-V276 VanDerWaalsContact C-N 3.33Å; Y274-V276 PolarHBondContact O-N 3.47Å; V276-S280 WeakPolarHBondContact O-CB 3.27Å; V276-S280 PolarHBondContact O-N 2.73Å; V276-S280 PolarHBondContact O-OG 2.87Å
277V95.4Very high94.7Very high5 Ų529.6 Ų29.63%0.0315%0.145CC..Hα-helixtrans-67.7-40.5179.5174.90000110.9L268 S273 Y274 N275 S280 K281 F305 L310L268-V277 HydrophobicContact CD2-CG2 3.95Å; S273-V277 PolarHBondContact O-N 2.8Å; Y274-V277 PolarHBondContact O-N 3.34Å; N275-V277 PolarHBondContact O-N 3.48Å; V277-S280 WeakPolarHBondContact CA-OG 3.42Å; V277-S280 PolarHBondContact O-N 3.41Å; V277-S280 PolarHBondContact O-OG 2.88Å; V277-K281 WeakPolarHBondContact O-CG 3.38Å; V277-K281 PolarHBondContact O-N 3.41Å; V277-K281 VanDerWaalsContact O-N 3.1Å; V277-F305 HydrophobicContact CG1-CD2 3.99Å; V277-F305 HydrophobicContact CG1-CE2 4.06Å; V277-F305 HydrophobicContact CG2-CD2 4.37Å; V277-F305 HydrophobicContact CG2-CE2 4.08Å; V277-L310 HydrophobicContact CB-CD1 4.29Å; V277-L310 HydrophobicContact CG2-CD1 4.33Å; V277-L310 HydrophobicContact CG2-CD2 3.83Å
278E95.4Very high94.6Very high76 Ų7629.6 Ų29.636%0.35515%0.145SC..Hα-helixtrans-66.8-43.1-179.6-165.657.1-155.100112.7Y274 N275 S280 K281 S282Y274-E278 HydrophobicContact CE1-CB 4.42Å; Y274-E278 WeakPolarHBondContact O-CB 3.36Å; Y274-E278 PolarHBondContact O-N 3.24Å; N275-E278 PolarHBondContact O-N 2.91Å; E278-S280 VanDerWaalsContact C-N 3.34Å; E278-S280 PolarHBondContact O-N 2.99Å; E278-K281 WeakPolarHBondContact O-CB 3.31Å; E278-K281 PolarHBondContact O-N 2.95Å; E278-K281 IonicContact OE2-NZ 3.29Å; E278-K281 PolarHBondContact OE2-NZ 3.14Å; E278-S282 PolarHBondContact O-N 2.58Å
279F95.8Very high94.3Very high48 Ų4833 Ų3321%0.21116%0.164CC..Hα-helixtrans-65.4-38.1174.3-64.1-36.8000111.9M93 M96 N275 K281 S282 Q283M93-F279 HydrophobicContact CE-CB 3.98Å; M93-F279 HydrophobicContact SD-CB 4.37Å; M96-F279 HydrophobicContact CE-CE2 3.83Å; M96-F279 HydrophobicContact CG-CD2 4.04Å; M96-F279 HydrophobicContact CG-CE2 4.16Å; M96-F279 HydrophobicContact SD-CD2 4.15Å; M96-F279 HydrophobicContact SD-CE2 3.73Å; N275-F279 HydrophobicContact CB-CD2 4.28Å; N275-F279 HydrophobicContact CB-CE2 3.9Å; N275-F279 WeakPolarHBondContact O-CB 3.28Å; N275-F279 WeakPolarHBondContact O-CD2 2.97Å; N275-F279 VanDerWaalsContact O-CG 3.26Å; N275-F279 WeakPolarHBondContact O-CG 3.47Å; N275-F279 PolarHBondContact O-N 2.9Å; F279-K281 VanDerWaalsContact C-N 3.26Å; F279-K281 PolarHBondContact O-N 2.77Å; F279-S282 PolarHBondContact O-N 2.82Å; F279-S282 PolarHBondContact O-OG 2.91Å; F279-Q283 PolarHBondContact O-N 3.06Å
280S94.8Very high94Very high0 Ų039.4 Ų39.40%019%0.191CC..Hα-helixtrans-60.8-35.8175.575.90000112.3V276 V277 E278 S282 Q283 M287 F303V276-S280 WeakPolarHBondContact O-CB 3.27Å; V276-S280 PolarHBondContact O-N 2.73Å; V276-S280 PolarHBondContact O-OG 2.87Å; V277-S280 WeakPolarHBondContact CA-OG 3.42Å; V277-S280 PolarHBondContact O-N 3.41Å; V277-S280 PolarHBondContact O-OG 2.88Å; E278-S280 VanDerWaalsContact C-N 3.34Å; E278-S280 PolarHBondContact O-N 2.99Å; S280-S282 VanDerWaalsContact C-N 3.28Å; S280-S282 PolarHBondContact O-N 2.83Å; S280-Q283 PolarHBondContact O-N 3.37Å; S280-M287 WeakPolarHBondContact O-CE 3.23Å; S280-F303 WeakPolarHBondContact OG-CB 3.46Å; S280-F303 VanDerWaalsContact OG-CD1 3.28Å; S280-F303 WeakPolarHBondContact OG-CD1 3.41Å; S280-F303 WeakPolarHBondContact OG-CG 3.35Å
281K93.6Very high93.7Very high42 Ų4239.8 Ų39.818%0.18319%0.193CC..Hα-helixtrans-65.4-30.5174.1-69176.3-158.2159.40112.9V277 E278 F279 V284 N301 F303V277-K281 WeakPolarHBondContact O-CG 3.38Å; V277-K281 PolarHBondContact O-N 3.41Å; V277-K281 VanDerWaalsContact O-N 3.1Å; E278-K281 WeakPolarHBondContact O-CB 3.31Å; E278-K281 PolarHBondContact O-N 2.95Å; E278-K281 IonicContact OE2-NZ 3.29Å; E278-K281 PolarHBondContact OE2-NZ 3.14Å; F279-K281 VanDerWaalsContact C-N 3.26Å; F279-K281 PolarHBondContact O-N 2.77Å; K281-V284 WeakPolarHBondContact O-CG2 3.48Å; K281-N301 WeakPolarHBondContact CA-ND2 3.39Å; K281-N301 WeakPolarHBondContact CB-ND2 3.13Å; K281-N301 PolarHBondContact O-ND2 3.34Å; K281-F303 WeakPolarHBondContact CE-O 3.48Å; K281-F303 HydrophobicContact CG-CB 3.8Å
282S93.9Very high93.5Very high74 Ų7441 Ų4152%0.51720%0.199SC..Hα-helixtrans-81.8-18.9-177.472.60000114E278 F279 S280E278-S282 PolarHBondContact O-N 2.58Å; F279-S282 PolarHBondContact O-N 2.82Å; F279-S282 PolarHBondContact O-OG 2.91Å; S280-S282 VanDerWaalsContact C-N 3.28Å; S280-S282 PolarHBondContact O-N 2.83Å
283Q93.6Very high93.2Very high6 Ų647.5 Ų47.53%0.02822%0.221CC..  trans-109.534.3-171.4-65.9173.3-17.300112.8I155 F279 S280 E285 W286I155-Q283 HydrophobicContact CD1-CB 4.32Å; F279-Q283 PolarHBondContact O-N 3.06Å; S280-Q283 PolarHBondContact O-N 3.37Å; Q283-E285 VanDerWaalsContact C-OE2 3.23Å; Q283-E285 WeakPolarHBondContact CA-OE2 3.21Å; Q283-E285 PolarHBondContact O-N 3.47Å; Q283-W286 WeakPolarHBondContact O-CB 3.23Å; Q283-W286 PolarHBondContact O-N 2.92Å; Q283-W286 VanDerWaalsContact O-N 3.07Å
284V92.7Very high92.8Very high10 Ų1049.8 Ų49.86%0.06124%0.236CC..G310 helixtrans-63.4-25.1-176.9176.60000112K281 W286 M287 L291 F295K281-V284 WeakPolarHBondContact O-CG2 3.48Å; V284-W286 PolarHBondContact O-N 3.13Å; V284-M287 HydrophobicContact CG2-SD 4.4Å; V284-M287 WeakPolarHBondContact O-CB 3.39Å; V284-M287 PolarHBondContact O-N 3.42Å; V284-L291 HydrophobicContact CG1-CD2 4.14Å; V284-F295 HydrophobicContact CG1-CB 4.18Å; V284-F295 HydrophobicContact CG1-CD1 4.26Å; V284-F295 HydrophobicContact CG1-CG 4.22Å
285E92.4Very high92.4Very high111 Ų11148 Ų4852%0.51923%0.231SC..G310 helixtrans-65.9-17.8175.776-80.8-165.500113.9Q283 M292Q283-E285 VanDerWaalsContact C-OE2 3.23Å; Q283-E285 WeakPolarHBondContact CA-OE2 3.21Å; Q283-E285 PolarHBondContact O-N 3.47Å; E285-M292 HydrophobicContact CB-CE 4.48Å; E285-M292 WeakPolarHBondContact O-CE 3.27Å
286W95.2Very high92Very high18 Ų1851.5 Ų51.57%0.06825%0.246CC..G310 helixtrans-90.9-1.8178.8-66.885.4000113.6T87 I88 P89 L129 K130 Y131 I155 Q283 V284T87-W286 HydrophobicContact CG2-CH2 3.76Å; T87-W286 HydrophobicContact CG2-CZ3 3.72Å; I88-W286 HydrophobicContact CB-CZ2 3.8Å; I88-W286 HydrophobicContact CD1-CZ2 3.87Å; I88-W286 HydrophobicContact CG1-CZ2 3.87Å; P89-W286 HydrophobicContact CG-CB 4.07Å; P89-W286 HydrophobicContact CG-CD2 3.4Å; P89-W286 VanDerWaalsContact CG-CD2 3.4Å; P89-W286 HydrophobicContact CG-CE3 3.67Å; P89-W286 HydrophobicContact CG-CG 3.56Å; P89-W286 HydrophobicContact CG-CZ2 4.41Å; P89-W286 HydrophobicContact CG-CZ3 4.26Å; L129-W286 WeakPolarHBondContact O-CH2 3.25Å; K130-W286 HydrophobicContact CB-CH2 4.5Å; K130-W286 HydrophobicContact CG-CZ2 4.21Å; Y131-W286 HydrophobicContact CD1-CZ3 4.04Å; Y131-W286 AromaticContact CD2-CE3 3.54Å; Y131-W286 HydrophobicContact CD2-CE3 3.54Å; Y131-W286 HydrophobicContact CD2-CH2 4.47Å; Y131-W286 AromaticContact CD2-CZ3 3.44Å; Y131-W286 HydrophobicContact CD2-CZ3 3.44Å; Y131-W286 VanDerWaalsContact CD2-CZ3 3.44Å; Y131-W286 HydrophobicContact CE1-CZ3 4.01Å; Y131-W286 HydrophobicContact CE2-CD2 4.45Å; Y131-W286 AromaticContact CE2-CE3 3.24Å; Y131-W286 HydrophobicContact CE2-CE3 3.24Å; Y131-W286 AromaticContact CE2-CZ3 3.42Å; Y131-W286 HydrophobicContact CE2-CZ3 3.42Å; Y131-W286 VanDerWaalsContact CE2-CZ3 3.42Å; Y131-W286 HydrophobicContact CG-CE3 4.33Å; Y131-W286 AromaticContact CG-CZ3 3.76Å; Y131-W286 HydrophobicContact CG-CZ3 3.76Å; Y131-W286 AromaticContact CZ-CE3 3.8Å; Y131-W286 AromaticContact CZ-CZ3 3.71Å; I155-W286 HydrophobicContact CG1-CB 4.38Å; Q283-W286 WeakPolarHBondContact O-CB 3.23Å; Q283-W286 PolarHBondContact O-N 2.92Å; Q283-W286 VanDerWaalsContact O-N 3.07Å; V284-W286 PolarHBondContact O-N 3.13Å
287M94.1Very high91.7Very high4 Ų457.8 Ų57.82%0.0228%0.279CS..SBendtrans-101.8178.7-170.4-63.1175.5175.700112I155 H183 S280 V284 L291 F303I155-M287 HydrophobicContact CD1-CE 3.59Å; I155-M287 HydrophobicContact CD1-CG 4.37Å; H183-M287 CarbonylContact O-C 3.48Å; H183-M287 VanDerWaalsContact O-CA 3.29Å; H183-M287 WeakPolarHBondContact O-CA 3.27Å; H183-M287 VanDerWaalsContact O-CB 3.26Å; H183-M287 WeakPolarHBondContact O-CB 3.37Å; S280-M287 WeakPolarHBondContact O-CE 3.23Å; V284-M287 HydrophobicContact CG2-SD 4.4Å; V284-M287 WeakPolarHBondContact O-CB 3.39Å; V284-M287 PolarHBondContact O-N 3.42Å; M287-L291 HydrophobicContact CB-CD2 4.16Å; M287-L291 HydrophobicContact SD-CD1 4.45Å; M287-L291 HydrophobicContact SD-CD2 3.73Å; M287-F303 HydrophobicContact CE-CD2 3.66Å; M287-F303 HydrophobicContact CE-CE2 3.22Å; M287-F303 HydrophobicContact CE-CZ 3.69Å; M287-F303 HydrophobicContact SD-CD2 3.83Å; M287-F303 HydrophobicContact SD-CE2 3.18Å; M287-F303 WeakPolarHBondContact SD-CE2 3.35Å; M287-F303 HydrophobicContact SD-CZ 4Å
288S93.9Very high91.2Very high0 Ų064.2 Ų64.20%031%0.307CS..  trans-60.5146.4-17778.70000112.4I182 H183 N185 K290 L291 M292I182-S288 PolarHBondContact O-OG 3.01Å; H183-S288 PolarHBondContact O-N 2.79Å; N185-S288 VanDerWaalsContact OD1-CA 3.31Å; N185-S288 WeakPolarHBondContact OD1-CA 3.31Å; N185-S288 WeakPolarHBondContact OD1-CB 3.38Å; S288-K290 PolarHBondContact O-N 3.42Å; S288-L291 PolarHBondContact O-N 3.2Å; S288-L291 WeakPolarHBondContact OG-CB 3.38Å; S288-L291 PolarHBondContact OG-N 3.27Å; S288-M292 PolarHBondContact O-N 2.71Å
289D92.1Very high90.7Very high78 Ų7871.1 Ų71.142%0.41733%0.33SS..Hα-helixtrans-58.2-31.2179.4-55.1-16.1000111.4N185 R293N185-D289 PolarHBondContact ND2-OD1 3.09Å; N185-D289 PolarHBondContact OD1-N 3.17Å; D289-R293 WeakPolarHBondContact O-CB 3.26Å; D289-R293 WeakPolarHBondContact O-CG 3.26Å; D289-R293 PolarHBondContact O-N 2.99Å
290K89.9Confident90.2Very high133 Ų13373.2 Ų73.258%0.57834%0.343SS*.Hα-helixtrans-64.9-43.6177.4-176.3-177.5176.8-171.40111S288 C294S288-K290 PolarHBondContact O-N 3.42Å; K290-C294 PolarHBondContact O-N 2.8Å; K290-C294 PolarHBondContact O-SG 3.41Å
291L88.2Confident89.9Confident9 Ų974.8 Ų74.85%0.04735%0.352CS..Hα-helixtrans-73.3-40.8-178.8-166.2155.2000110.1H183 V284 M287 S288 C294 F295 P302 F303H183-L291 HydrophobicContact CB-CD1 3.99Å; V284-L291 HydrophobicContact CG1-CD2 4.14Å; M287-L291 HydrophobicContact CB-CD2 4.16Å; M287-L291 HydrophobicContact SD-CD1 4.45Å; M287-L291 HydrophobicContact SD-CD2 3.73Å; S288-L291 PolarHBondContact O-N 3.2Å; S288-L291 WeakPolarHBondContact OG-CB 3.38Å; S288-L291 PolarHBondContact OG-N 3.27Å; L291-C294 WeakPolarHBondContact O-CB 3.49Å; L291-C294 PolarHBondContact O-N 3.34Å; L291-F295 PolarHBondContact O-N 2.95Å; L291-F295 VanDerWaalsContact O-N 3.11Å; L291-P302 HydrophobicContact CD1-CB 3.9Å; L291-P302 HydrophobicContact CD1-CG 4.48Å; L291-P302 HydrophobicContact CD2-CB 3.55Å; L291-P302 HydrophobicContact CD2-CG 3.34Å; L291-P302 HydrophobicContact CG-CB 3.6Å; L291-P302 HydrophobicContact CG-CG 3.64Å; L291-F303 HydrophobicContact CD1-CE2 3.86Å; L291-F303 HydrophobicContact CD1-CZ 4.37Å; L291-F303 HydrophobicContact CD2-CE2 4.28Å
292M89.1Confident89.6Confident52 Ų5273.3 Ų73.326%0.25635%0.347SS..Hα-helixtrans-58.2-49.7173.1-171.2179.1-60.600112.3E285 S288 C294 F295 E296E285-M292 HydrophobicContact CB-CE 4.48Å; E285-M292 WeakPolarHBondContact O-CE 3.27Å; S288-M292 PolarHBondContact O-N 2.71Å; M292-C294 VanDerWaalsContact C-N 3.3Å; M292-C294 PolarHBondContact O-N 3.43Å; M292-F295 WeakPolarHBondContact O-CB 3.31Å; M292-F295 PolarHBondContact O-N 3.45Å; M292-E296 PolarHBondContact O-N 3.36Å
293R88.2Confident89.5Confident160 Ų16069.8 Ų69.860%0.60432%0.322SS*.Hα-helixtrans-60.3-38.5176.4-72.7175.5-167.7-148.54112.8D289 F295 E296 D297D289-R293 WeakPolarHBondContact O-CB 3.26Å; D289-R293 WeakPolarHBondContact O-CG 3.26Å; D289-R293 PolarHBondContact O-N 2.99Å; R293-F295 VanDerWaalsContact C-N 3.26Å; R293-F295 PolarHBondContact O-N 2.82Å; R293-E296 PolarHBondContact O-N 3Å; R293-D297 WeakPolarHBondContact O-CB 3.28Å; R293-D297 VanDerWaalsContact O-CG 3.31Å; R293-D297 PolarHBondContact O-N 3.36Å
294C84.6Confident89.4Confident48 Ų4874.4 Ų74.432%0.32434%0.343SS..Hα-helixtrans-62.7-35.5176.2-72.50000112.2K290 L291 M292 K298K290-C294 PolarHBondContact O-N 2.8Å; K290-C294 PolarHBondContact O-SG 3.41Å; L291-C294 WeakPolarHBondContact O-CB 3.49Å; L291-C294 PolarHBondContact O-N 3.34Å; M292-C294 VanDerWaalsContact C-N 3.3Å; M292-C294 PolarHBondContact O-N 3.43Å; C294-K298 WeakPolarHBondContact O-CB 3.47Å; C294-K298 PolarHBondContact O-N 3.14Å; C294-K298 VanDerWaalsContact O-N 3.11Å
295F86.7Confident89.4Confident82 Ų8275 Ų7536%0.3635%0.345SS..Hα-helixtrans-68.8-46.6175.5175.6-107.2000111.4V284 L291 M292 R293 D297 R299 N301V284-F295 HydrophobicContact CG1-CB 4.18Å; V284-F295 HydrophobicContact CG1-CD1 4.26Å; V284-F295 HydrophobicContact CG1-CG 4.22Å; L291-F295 PolarHBondContact O-N 2.95Å; L291-F295 VanDerWaalsContact O-N 3.11Å; M292-F295 WeakPolarHBondContact O-CB 3.31Å; M292-F295 PolarHBondContact O-N 3.45Å; R293-F295 VanDerWaalsContact C-N 3.26Å; R293-F295 PolarHBondContact O-N 2.82Å; F295-D297 PolarHBondContact O-N 2.83Å; F295-R299 WeakPolarHBondContact O-CA 3.38Å; F295-R299 PolarHBondContact O-N 3.44Å; F295-N301 HydrophobicContact CD2-CB 4.5Å; F295-N301 HydrophobicContact CE2-CB 4.39Å
296E88Confident89.2Confident125 Ų12578.1 Ų78.158%0.58435%0.352SS*.Hα-helixtrans-59.7-46.6177.4-68.5174.1170.800112.3M292 R293M292-E296 PolarHBondContact O-N 3.36Å; R293-E296 PolarHBondContact O-N 3Å
297D88.3Confident89Confident132 Ų13280 Ų8071%0.70636%0.362SS*.Hα-helixtrans-73.3-46.8-175.5-72.1-23.2000112.7R293 F295R293-D297 WeakPolarHBondContact O-CB 3.28Å; R293-D297 VanDerWaalsContact O-CG 3.31Å; R293-D297 PolarHBondContact O-N 3.36Å; F295-D297 PolarHBondContact O-N 2.83Å
298K85.1Confident89Confident141 Ų14180.5 Ų80.561%0.61336%0.364SS*.Hα-helixtrans-100.5-6.6-169.1-60.5177.3-177.9169.60113.4C294 N300C294-K298 WeakPolarHBondContact O-CB 3.47Å; C294-K298 PolarHBondContact O-N 3.14Å; C294-K298 VanDerWaalsContact O-N 3.11Å; K298-N300 HydrophobicContact CB-CB 4.4Å; K298-N300 PolarHBondContact O-N 3.1Å; K298-N300 PolarHBondContact O-ND2 3.36Å
299R85Confident89Confident221 Ų22184 Ų8483%0.83438%0.383SS*.  trans49.629.1-173.4-58.5-176.9178.7-167.6-1.9113.4F295F295-R299 WeakPolarHBondContact O-CA 3.38Å; F295-R299 PolarHBondContact O-N 3.44Å
300N85.7Confident89.2Confident91 Ų9183.1 Ų83.149%0.48738%0.378SS..  trans-112.7120.3179.7-76.2-48.2000108.1K298 P302K298-N300 HydrophobicContact CB-CB 4.4Å; K298-N300 PolarHBondContact O-N 3.1Å; K298-N300 PolarHBondContact O-ND2 3.36Å; N300-P302 VanDerWaalsContact O-CD 3.28Å; N300-P302 WeakPolarHBondContact O-CD 3.47Å
301N88.3Confident89.5Confident33 Ų3377 Ų7718%0.17635%0.352CS..  trans-64.1124.3174.6-164.1-54000109.7K281 F295 F303 Q304K281-N301 WeakPolarHBondContact CA-ND2 3.39Å; K281-N301 WeakPolarHBondContact CB-ND2 3.13Å; K281-N301 PolarHBondContact O-ND2 3.34Å; F295-N301 HydrophobicContact CD2-CB 4.5Å; F295-N301 HydrophobicContact CE2-CB 4.39Å; N301-F303 PolarHBondContact O-N 3.13Å; N301-F303 PolarHBondContact OD1-N 2.88Å; N301-Q304 HydrophobicContact CB-CB 4.14Å; N301-Q304 VanDerWaalsContact O-CB 3.32Å; N301-Q304 WeakPolarHBondContact O-CB 3.33Å; N301-Q304 PolarHBondContact O-N 2.88Å
302P87.4Confident89.8Confident12 Ų1279.7 Ų79.78%0.07836%0.364CS..THydrogen-bonded Turntrans-64.2-23.9-178.5-31.345.1000114Q248 L291 N300Q248-P302 PolarHBondContact NE2-O 3.19Å; Q248-P302 PolarHBondContact OE1-O 3.24Å; L291-P302 HydrophobicContact CD1-CB 3.9Å; L291-P302 HydrophobicContact CD1-CG 4.48Å; L291-P302 HydrophobicContact CD2-CB 3.55Å; L291-P302 HydrophobicContact CD2-CG 3.34Å; L291-P302 HydrophobicContact CG-CB 3.6Å; L291-P302 HydrophobicContact CG-CG 3.64Å; N300-P302 VanDerWaalsContact O-CD 3.28Å; N300-P302 WeakPolarHBondContact O-CD 3.47Å
303F90.8Very high89.9Confident0 Ų079.1 Ų79.10%037%0.365CS..THydrogen-bonded Turntrans-93.16.8175.1-68.5-88.9000113H183 L244 S280 K281 M287 L291 N301 F305H183-F303 HydrophobicContact CB-CZ 4.09Å; L244-F303 HydrophobicContact CB-CE1 3.82Å; L244-F303 HydrophobicContact CB-CZ 4.32Å; L244-F303 HydrophobicContact CD2-CD1 4.17Å; L244-F303 HydrophobicContact CD2-CE1 3.86Å; L244-F303 HydrophobicContact CG-CE1 4.27Å; S280-F303 WeakPolarHBondContact OG-CB 3.46Å; S280-F303 VanDerWaalsContact OG-CD1 3.28Å; S280-F303 WeakPolarHBondContact OG-CD1 3.41Å; S280-F303 WeakPolarHBondContact OG-CG 3.35Å; K281-F303 WeakPolarHBondContact CE-O 3.48Å; K281-F303 HydrophobicContact CG-CB 3.8Å; M287-F303 HydrophobicContact CE-CD2 3.66Å; M287-F303 HydrophobicContact CE-CE2 3.22Å; M287-F303 HydrophobicContact CE-CZ 3.69Å; M287-F303 HydrophobicContact SD-CD2 3.83Å; M287-F303 HydrophobicContact SD-CE2 3.18Å; M287-F303 WeakPolarHBondContact SD-CE2 3.35Å; M287-F303 HydrophobicContact SD-CZ 4Å; L291-F303 HydrophobicContact CD1-CE2 3.86Å; L291-F303 HydrophobicContact CD1-CZ 4.37Å; L291-F303 HydrophobicContact CD2-CE2 4.28Å; N301-F303 PolarHBondContact O-N 3.13Å; N301-F303 PolarHBondContact OD1-N 2.88Å; F303-F305 VanDerWaalsContact C-N 3.27Å; F303-F305 HydrophobicContact CB-CE2 4.47Å; F303-F305 HydrophobicContact CB-CZ 4.44Å; F303-F305 HydrophobicContact CD1-CE1 4.44Å; F303-F305 HydrophobicContact CD1-CE2 4.06Å; F303-F305 AromaticContact CD1-CZ 3.57Å; F303-F305 HydrophobicContact CD1-CZ 3.57Å; F303-F305 HydrophobicContact CE1-CZ 4.18Å; F303-F305 HydrophobicContact CG-CZ 4.38Å; F303-F305 WeakPolarHBondContact O-CD2 3.32Å; F303-F305 PolarHBondContact O-N 2.95Å
304Q91.5Very high90.1Very high103 Ų10373.9 Ų73.948%0.48135%0.349SS..  trans-79.383.7162.5-169.565.533.700108.8R255 N301R255-Q304 PolarHBondContact NH2-O 2.86Å; N301-Q304 HydrophobicContact CB-CB 4.14Å; N301-Q304 VanDerWaalsContact O-CB 3.32Å; N301-Q304 WeakPolarHBondContact O-CB 3.33Å; N301-Q304 PolarHBondContact O-N 2.88Å
305F92.3Very high90.4Very high22 Ų2274.8 Ų74.810%0.09636%0.36CS..  trans-69.1144.8178.5-57.5-59.9000111.5A247 D251 V277 F303 L308A247-F305 HydrophobicContact CB-CE1 4.23Å; A247-F305 HydrophobicContact CB-CE2 4.27Å; A247-F305 HydrophobicContact CB-CZ 3.74Å; D251-F305 HydrophobicContact CB-CD1 3.7Å; D251-F305 HydrophobicContact CB-CE1 4.24Å; V277-F305 HydrophobicContact CG1-CD2 3.99Å; V277-F305 HydrophobicContact CG1-CE2 4.06Å; V277-F305 HydrophobicContact CG2-CD2 4.37Å; V277-F305 HydrophobicContact CG2-CE2 4.08Å; F303-F305 VanDerWaalsContact C-N 3.27Å; F303-F305 HydrophobicContact CB-CE2 4.47Å; F303-F305 HydrophobicContact CB-CZ 4.44Å; F303-F305 HydrophobicContact CD1-CE1 4.44Å; F303-F305 HydrophobicContact CD1-CE2 4.06Å; F303-F305 AromaticContact CD1-CZ 3.57Å; F303-F305 HydrophobicContact CD1-CZ 3.57Å; F303-F305 HydrophobicContact CE1-CZ 4.18Å; F303-F305 HydrophobicContact CG-CZ 4.38Å; F303-F305 WeakPolarHBondContact O-CD2 3.32Å; F303-F305 PolarHBondContact O-N 2.95Å; F305-L308 HydrophobicContact CB-CB 3.53Å; F305-L308 HydrophobicContact CB-CD2 4.36Å; F305-L308 HydrophobicContact CD2-CB 4.21Å; F305-L308 HydrophobicContact CD2-CD2 3.4Å; F305-L308 VanDerWaalsContact CD2-CD2 3.4Å; F305-L308 HydrophobicContact CD2-CG 4.42Å; F305-L308 HydrophobicContact CE2-CD2 3.71Å; F305-L308 HydrophobicContact CG-CB 3.91Å; F305-L308 HydrophobicContact CG-CD2 3.86Å; F305-L308 HydrophobicContact CZ-CD2 4.4Å
306R88.8Confident90.8Very high176 Ų17672.4 Ų72.466%0.66435%0.351SS*.SBendtrans-108.2-27.5179.2-66.6-175.7-179.1-171.1-0.9112.4D251D251-R306 PolarHBondContact OD1-N 3.22Å
307H90.8Very high91.1Very high59 Ų5966.8 Ų66.827%0.27333%0.325SS..SBendtrans-110.8-11.9-176.3-61.2-74000112.9D251 W254D251-H307 IonicContact OD1-CD2 3.65Å; D251-H307 PolarHBondContact OD1-N 3.05Å; D251-H307 VanDerWaalsContact OD1-N 3.09Å; W254-H307 HydrophobicContact CB-CB 4.04Å; W254-H307 HydrophobicContact CG-CB 4.24Å
308L94.3Very high91.4Very high14 Ų1464.2 Ų64.27%0.07332%0.322CS..EExtended strand (participates in β ladder)trans-84.6112.8179.7-168.466.9000110.8A247 L266 L268 F305 L310 L327A247-L308 HydrophobicContact CB-CD2 4.11Å; L266-L308 HydrophobicContact CB-CD1 4.42Å; L266-L308 HydrophobicContact CD2-CD1 3.77Å; L266-L308 HydrophobicContact CG-CD1 3.56Å; L268-L308 HydrophobicContact CB-CD1 4.01Å; L268-L308 HydrophobicContact CB-CD2 4.08Å; L268-L308 HydrophobicContact CB-CG 4.11Å; L268-L308 HydrophobicContact CD2-CD2 4.41Å; F305-L308 HydrophobicContact CB-CB 3.53Å; F305-L308 HydrophobicContact CB-CD2 4.36Å; F305-L308 HydrophobicContact CD2-CB 4.21Å; F305-L308 HydrophobicContact CD2-CD2 3.4Å; F305-L308 VanDerWaalsContact CD2-CD2 3.4Å; F305-L308 HydrophobicContact CD2-CG 4.42Å; F305-L308 HydrophobicContact CE2-CD2 3.71Å; F305-L308 HydrophobicContact CG-CB 3.91Å; F305-L308 HydrophobicContact CG-CD2 3.86Å; F305-L308 HydrophobicContact CZ-CD2 4.4Å; L308-L310 HydrophobicContact CD2-CD2 4.09Å; L308-L310 HydrophobicContact CG-CD2 4.2Å; L308-L327 HydrophobicContact CD1-CD1 4.26Å
309N95Very high91.8Very high74 Ų7466.3 Ų66.340%0.39633%0.326SS..EExtended strand (participates in β ladder)trans-87122.9172.3-64.4-18000109.4L266 A267 L268L266-N309 PolarHBondContact O-N 2.86Å; A267-N309 CarbonylContact C-O 3.52Å; A267-N309 WeakPolarHBondContact CA-O 3.46Å; L268-N309 PolarHBondContact N-O 2.89Å
310L96Very high92.3Very high59 Ų5956.5 Ų56.531%0.30929%0.29SS..EExtended strand (participates in β ladder)trans-83.6134.2177.2-50.4-179.1000109L268 Y274 V277 L308L268-L310 HydrophobicContact CB-CD2 4.06Å; L268-L310 HydrophobicContact CD2-CD2 4.02Å; Y274-L310 HydrophobicContact CD2-CD1 4.36Å; V277-L310 HydrophobicContact CB-CD1 4.29Å; V277-L310 HydrophobicContact CG2-CD1 4.33Å; V277-L310 HydrophobicContact CG2-CD2 3.83Å; L308-L310 HydrophobicContact CD2-CD2 4.09Å; L308-L310 HydrophobicContact CG-CD2 4.2Å
311C95.4Very high92.7Very high4 Ų456.2 Ų56.23%0.02729%0.294CS..EExtended strand (participates in β ladder)trans-132.6139.5-179.7-64.60000109.3L268 L269 N270 S273 D316L268-C311 PolarHBondContact O-N 3.1Å; L269-C311 HydrophobicContact CD1-CB 3.76Å; N270-C311 PolarHBondContact N-O 2.78Å; N270-C311 VanDerWaalsContact O-O 3.13Å; S273-C311 PolarHBondContact OG-O 3Å; C311-D316 HydrophobicContact CB-CB 3.91Å
312H93.7Very high92.9Very high66 Ų6658.4 Ų58.431%0.30631%0.311SS..SBendtrans-111-19.9179.5-66.1-85.4000112.5N271 S273 Y274 D316 F337N271-H312 PolarHBondContact O-ND1 2.88Å; S273-H312 PolarHBondContact OG-CE1 2.87Å; S273-H312 VanDerWaalsContact OG-CE1 3.3Å; Y274-H312 PolarHBondContact N-CE1 3.01Å; H312-D316 PolarHBondContact N-OD2 2.82Å; H312-F337 WeakPolarHBondContact O-CE2 3.35Å; H312-F337 WeakPolarHBondContact O-CZ 3.14Å
313S92.7Very high93.3Very high40 Ų4058.5 Ų58.528%0.2831%0.312SS..SBendtrans-136.1162.7179.871.30000112.1A315 D316 L317S313-A315 PolarHBondContact O-N 3.23Å; S313-A315 PolarHBondContact OG-N 3.19Å; S313-D316 PolarHBondContact N-OD2 2.92Å; S313-D316 WeakPolarHBondContact O-CB 3.43Å; S313-D316 PolarHBondContact O-N 3.13Å; S313-D316 PolarHBondContact OG-N 3.2Å; S313-D316 VanDerWaalsContact OG-N 3.16Å; S313-D316 PolarHBondContact OG-OD1 3.13Å; S313-D316 PolarHBondContact OG-OD2 2.77Å; S313-L317 PolarHBondContact O-N 3.44Å
314L91.3Very high93.5Very high49 Ų4959 Ų5926%0.25732%0.315SS..Hα-helixtrans-61.2-27169.2-71.7-172.6000112.7L269 L317 A318 F337 E340 L341L269-L314 HydrophobicContact CD2-CD2 3.97Å; L314-L317 PolarHBondContact O-N 2.88Å; L314-A318 WeakPolarHBondContact O-CB 3.37Å; L314-A318 PolarHBondContact O-N 2.9Å; L314-F337 HydrophobicContact CD2-CD1 4.01Å; L314-F337 HydrophobicContact CG-CD1 3.98Å; L314-F337 HydrophobicContact CG-CE1 4.17Å; L314-E340 HydrophobicContact CD1-CB 4.46Å; L314-E340 WeakPolarHBondContact CD1-OE2 3.5Å; L314-L341 HydrophobicContact CD2-CD2 4.2Å; L314-L341 HydrophobicContact CD2-CG 4.2Å
315A92.3Very high93.8Very high67 Ų6754.1 Ų54.155%0.55429%0.292SS*.Hα-helixtrans-66.7-39.9175.700000111.2S313 A318 R319S313-A315 PolarHBondContact O-N 3.23Å; S313-A315 PolarHBondContact OG-N 3.19Å; A315-A318 PolarHBondContact O-N 3.25Å; A315-R319 PolarHBondContact O-N 3.04Å
316D93.6Very high94.1Very high33 Ų3353.1 Ų53.118%0.17629%0.287CS..Hα-helixtrans-62.6-47174.1-53.2-28.4000110.8C311 H312 S313 A318 R319C311-D316 HydrophobicContact CB-CB 3.91Å; H312-D316 PolarHBondContact N-OD2 2.82Å; S313-D316 PolarHBondContact N-OD2 2.92Å; S313-D316 WeakPolarHBondContact O-CB 3.43Å; S313-D316 PolarHBondContact O-N 3.13Å; S313-D316 PolarHBondContact OG-N 3.2Å; S313-D316 VanDerWaalsContact OG-N 3.16Å; S313-D316 PolarHBondContact OG-OD1 3.13Å; S313-D316 PolarHBondContact OG-OD2 2.77Å; D316-A318 VanDerWaalsContact C-N 3.26Å; D316-A318 PolarHBondContact O-N 2.86Å; D316-R319 WeakPolarHBondContact O-CB 3.43Å; D316-R319 PolarHBondContact O-N 3.13Å; D316-R319 VanDerWaalsContact O-N 3.09Å; D316-R319 IonicContact OD1-CZ 2.76Å; D316-R319 IonicContact OD1-NH2 2.7Å; D316-R319 PolarHBondContact OD1-NH2 3.43Å
317L94.6Very high94.5Very high6 Ų644.7 Ų44.73%0.03126%0.255CS..Hα-helixtrans-64.6-31.9-180-177.563.2000112.6A267 L269 S313 L314 R319 V320 K324 V326 L341A267-L317 HydrophobicContact CB-CD1 3.9Å; L269-L317 HydrophobicContact CD2-CD2 3.77Å; S313-L317 PolarHBondContact O-N 3.44Å; L314-L317 PolarHBondContact O-N 2.88Å; L317-R319 VanDerWaalsContact C-N 3.26Å; L317-R319 PolarHBondContact O-N 3.09Å; L317-V320 WeakPolarHBondContact O-CB 3.45Å; L317-V320 PolarHBondContact O-N 3.18Å; L317-K324 HydrophobicContact CD1-CD 3.88Å; L317-K324 HydrophobicContact CG-CD 4.45Å; L317-K324 PolarHBondContact O-NZ 2.99Å; L317-V326 HydrophobicContact CD1-CG1 4.14Å; L317-V326 HydrophobicContact CD1-CG2 3.71Å; L317-V326 HydrophobicContact CD2-CG1 4.13Å; L317-V326 HydrophobicContact CD2-CG2 4.12Å; L317-L341 HydrophobicContact CD2-CD1 3.72Å; L317-L341 HydrophobicContact CD2-CD2 3.85Å; L317-L341 HydrophobicContact CD2-CG 4.39Å
318A94.4Very high94.8Very high79 Ų7941.9 Ų41.965%0.65324%0.242SC*.Hα-helixtrans-65.7-28.6176.100000112.5L314 A315 D316 V320L314-A318 WeakPolarHBondContact O-CB 3.37Å; L314-A318 PolarHBondContact O-N 2.9Å; A315-A318 PolarHBondContact O-N 3.25Å; D316-A318 VanDerWaalsContact C-N 3.26Å; D316-A318 PolarHBondContact O-N 2.86Å; A318-V320 VanDerWaalsContact C-N 3.26Å; A318-V320 PolarHBondContact O-N 3.1Å
319R95.1Very high94.6Very high185 Ų18541.3 Ų41.370%0.69824%0.239SC*.Hα-helixtrans-71.2-21.2175-64.4-175.7-82.7-171.8-0.5112.8A315 D316 L317A315-R319 PolarHBondContact O-N 3.04Å; D316-R319 WeakPolarHBondContact O-CB 3.43Å; D316-R319 PolarHBondContact O-N 3.13Å; D316-R319 VanDerWaalsContact O-N 3.09Å; D316-R319 IonicContact OD1-CZ 2.76Å; D316-R319 IonicContact OD1-NH2 2.7Å; D316-R319 PolarHBondContact OD1-NH2 3.43Å; L317-R319 VanDerWaalsContact C-N 3.26Å; L317-R319 PolarHBondContact O-N 3.09Å
320V94.2Very high94.4Very high14 Ų1438.3 Ų38.39%0.08522%0.223CC..SBendtrans-75131.7177.3-177.10000110.1P265 L317 A318 K324P265-V320 HydrophobicContact CB-CG1 3.26Å; P265-V320 HydrophobicContact CG-CG1 3.74Å; L317-V320 WeakPolarHBondContact O-CB 3.45Å; L317-V320 PolarHBondContact O-N 3.18Å; A318-V320 VanDerWaalsContact C-N 3.26Å; A318-V320 PolarHBondContact O-N 3.1Å; V320-K324 HydrophobicContact CB-CD 4.48Å; V320-K324 HydrophobicContact CG1-CB 4.46Å; V320-K324 HydrophobicContact CG1-CD 4.34Å; V320-K324 WeakPolarHBondContact O-CE 3.39Å; V320-K324 PolarHBondContact O-NZ 3.18Å
321P93.8Very high94.3Very high86 Ų8636.6 Ų36.656%0.55822%0.215SC*.PPolyproline II helixtrans-62.1148.8178.1-24.133.8000113.6P265 K324P265-P321 HydrophobicContact CG-CB 4.3Å; P265-P321 HydrophobicContact CG-CG 4.45Å; P321-K324 WeakPolarHBondContact O-CE 3.2Å
322S92.6Very high94.2Very high78 Ų7836.6 Ų36.655%0.54522%0.215SC..SBendtrans-98.5148.1169.7-610000110.3K324S322-K324 WeakPolarHBondContact OG-CE 3.49Å
323P95.4Very high94.3Very high14 Ų1433.4 Ų33.49%0.09120%0.2CC..SBendcis-80.3145.6332.2-32.1000112.4L227 N230 G231 N232 Y264 P265L227-P323 HydrophobicContact CD2-CB 4.01Å; L227-P323 HydrophobicContact CD2-CG 4.46Å; N230-P323 WeakPolarHBondContact OD1-CD 3.33Å; G231-P323 VanDerWaalsContact O-CB 3.26Å; G231-P323 WeakPolarHBondContact O-CB 3.44Å; N232-P323 WeakPolarHBondContact OD1-CA 3.11Å; Y264-P323 HydrophobicContact CD1-CG 3.6Å; Y264-P323 HydrophobicContact CE1-CG 3.49Å; Y264-P323 VanDerWaalsContact CE1-CG 3.49Å; P265-P323 WeakPolarHBondContact CD-O 3.32Å
324K96.2Very high94.2Very high12 Ų1234.2 Ų34.25%0.05220%0.2CC..  trans-135.9158.1-173.666-171.372.4157.20112.4N232 V233 P265 L317 V320 P321 S322 V326 W345N232-K324 WeakPolarHBondContact CA-O 3.46Å; N232-K324 PolarHBondContact OD1-N 3.3Å; N232-K324 VanDerWaalsContact OD1-N 3.13Å; V233-K324 PolarHBondContact N-O 3.33Å; P265-K324 HydrophobicContact CB-CB 4.39Å; L317-K324 HydrophobicContact CD1-CD 3.88Å; L317-K324 HydrophobicContact CG-CD 4.45Å; L317-K324 PolarHBondContact O-NZ 2.99Å; V320-K324 HydrophobicContact CB-CD 4.48Å; V320-K324 HydrophobicContact CG1-CB 4.46Å; V320-K324 HydrophobicContact CG1-CD 4.34Å; V320-K324 WeakPolarHBondContact O-CE 3.39Å; V320-K324 PolarHBondContact O-NZ 3.18Å; P321-K324 WeakPolarHBondContact O-CE 3.2Å; S322-K324 WeakPolarHBondContact OG-CE 3.49Å; K324-V326 HydrophobicContact CD-CG2 4.03Å; K324-V326 HydrophobicContact CG-CG2 3.95Å; K324-W345 HydrophobicContact CG-CH2 4.37Å
325V97.9Very high94.2Very high0 Ų032.1 Ų32.10%019%0.189CC..EExtended strand (participates in β ladder)trans-108.5130.2169.6-177.70000108.6V223 L227 V233 I235 W254 P265 L266 A267V223-V325 HydrophobicContact CG1-CG2 3.85Å; L227-V325 HydrophobicContact CD1-CG2 3.75Å; L227-V325 HydrophobicContact CD2-CG2 3.91Å; L227-V325 HydrophobicContact CG-CG2 4.15Å; V233-V325 HydrophobicContact CB-CB 4.43Å; V233-V325 HydrophobicContact CB-CG1 4.2Å; V233-V325 HydrophobicContact CB-CG2 4.11Å; V233-V325 HydrophobicContact CG1-CG1 4.42Å; V233-V325 HydrophobicContact CG2-CG2 4.24Å; V233-V325 WeakPolarHBondContact O-CA 3.37Å; I235-V325 HydrophobicContact CD1-CG1 3.75Å; I235-V325 HydrophobicContact CG1-CG1 4.25Å; W254-V325 HydrophobicContact CH2-CG2 3.93Å; W254-V325 HydrophobicContact CZ2-CG2 3.97Å; P265-V325 PolarHBondContact O-N 3.21Å; L266-V325 CarbonylContact C-O 3.58Å; L266-V325 WeakPolarHBondContact CA-O 3.38Å; L266-V325 HydrophobicContact CD1-CB 3.7Å; L266-V325 HydrophobicContact CD1-CG1 3.64Å; A267-V325 PolarHBondContact N-O 3.26Å
326V98.1Very high94.1Very high0 Ų029.2 Ų29.20%017%0.166CC..EExtended strand (participates in β ladder)trans-125.8121-179.2-164.30000109.9V233 I235 A267 L269 L317 K324 C328 L341 W345V233-V326 PolarHBondContact O-N 3.39Å; I235-V326 PolarHBondContact N-O 2.97Å; A267-V326 HydrophobicContact CB-CG1 4.29Å; A267-V326 HydrophobicContact CB-CG2 4.39Å; A267-V326 WeakPolarHBondContact O-CA 3.36Å; L269-V326 HydrophobicContact CB-CG1 3.81Å; L317-V326 HydrophobicContact CD1-CG1 4.14Å; L317-V326 HydrophobicContact CD1-CG2 3.71Å; L317-V326 HydrophobicContact CD2-CG1 4.13Å; L317-V326 HydrophobicContact CD2-CG2 4.12Å; K324-V326 HydrophobicContact CD-CG2 4.03Å; K324-V326 HydrophobicContact CG-CG2 3.95Å; V326-C328 WeakPolarHBondContact CG1-SG 3.49Å; V326-L341 HydrophobicContact CG1-CD1 4.31Å; V326-W345 HydrophobicContact CB-CH2 4.42Å; V326-W345 HydrophobicContact CG2-CH2 3.64Å; V326-W345 HydrophobicContact CG2-CZ3 4.21Å
327L97.9Very high94.1Very high0 Ų028.2 Ų28.20%016%0.16CC..EExtended strand (participates in β ladder)trans-84.2115.1165.4-64.2164.2000107.1I235 V237 L246 A247 L250 A267 L268 L269 L308I235-L327 HydrophobicContact CB-CD2 3.93Å; I235-L327 HydrophobicContact CD1-CD2 4.03Å; I235-L327 HydrophobicContact CG2-CD2 3.95Å; V237-L327 HydrophobicContact CG1-CD2 3.96Å; V237-L327 HydrophobicContact CG2-CB 4.09Å; L246-L327 HydrophobicContact CB-CD2 4.16Å; A247-L327 HydrophobicContact CB-CD1 4.09Å; L250-L327 HydrophobicContact CD1-CD1 4.27Å; L250-L327 HydrophobicContact CD1-CD2 3.96Å; L250-L327 HydrophobicContact CD1-CG 4.32Å; A267-L327 PolarHBondContact O-N 3.15Å; L268-L327 HydrophobicContact CD1-CB 3.72Å; L268-L327 HydrophobicContact CD1-CD1 4.38Å; L269-L327 PolarHBondContact N-O 3.42Å; L308-L327 HydrophobicContact CD1-CD1 4.26Å
328C95.6Very high94.2Very high0 Ų028 Ų280%016%0.159CC..EExtended strand (participates in β ladder)trans-115.8135.5-176.9-64.60000111L234 I235 V237 L269 V326 L341L234-C328 HydrophobicContact CD1-CB 3.72Å; L234-C328 WeakPolarHBondContact CD1-SG 3.22Å; I235-C328 PolarHBondContact O-N 2.99Å; V237-C328 VanDerWaalsContact CG2-O 3.31Å; V237-C328 WeakPolarHBondContact CG2-O 3.35Å; V237-C328 PolarHBondContact N-O 3.2Å; V237-C328 VanDerWaalsContact O-O 3.05Å; L269-C328 WeakPolarHBondContact O-CA 3.48Å; V326-C328 WeakPolarHBondContact CG1-SG 3.49Å; C328-L341 WeakPolarHBondContact SG-CD1 3.49Å
329S90.4Very high94.1Very high1 Ų125.6 Ų25.61%0.00713%0.133CC..SBendtrans-66.6161.9174.4640000112.5D100 V237 L269 S338D100-S329 WeakPolarHBondContact OD2-CB 3.38Å; D100-S329 PolarHBondContact OD2-OG 2.77Å; V237-S329 CarbonylContact O-C 3.56Å; V237-S329 WeakPolarHBondContact O-CA 3.43Å; L269-S329 PolarHBondContact O-N 2.88Å; L269-S329 VanDerWaalsContact O-N 3.16Å; S329-S338 WeakPolarHBondContact O-CB 3.5Å; S329-S338 PolarHBondContact O-OG 2.92Å; S329-S338 VanDerWaalsContact O-OG 3.14Å
330Q91.5Very high94Very high11 Ų1119.3 Ų19.35%0.05111%0.111CC..  trans70.893.7-169.9-51.4-58.5-50.800112.4D100 V237 D332 S335 S338D100-Q330 PolarHBondContact OD2-NE2 2.96Å; V237-Q330 CarbonylContact O-C 3.54Å; V237-Q330 PolarHBondContact O-N 2.76Å; Q330-D332 VanDerWaalsContact C-N 3.26Å; Q330-D332 PolarHBondContact O-N 2.68Å; Q330-S335 WeakPolarHBondContact CB-O 3.46Å; Q330-S338 VanDerWaalsContact O-CB 3.31Å; Q330-S338 WeakPolarHBondContact O-CB 3.28Å; Q330-S338 PolarHBondContact O-OG 3.44Å
331P93.9Very high94.1Very high23 Ų2318.7 Ų18.715%0.14911%0.108CC..THydrogen-bonded Turntrans-73.1-18-176.429-33.5000113.6V237 Y357 T359 A365V237-P331 WeakPolarHBondContact O-CD 3.46Å; P331-Y357 HydrophobicContact CB-CD1 4.46Å; P331-Y357 HydrophobicContact CB-CG 4.49Å; P331-Y357 HydrophobicContact CG-CD1 4.37Å; P331-T359 HydrophobicContact CB-CG2 4.24Å; P331-T359 HydrophobicContact CG-CG2 4.15Å; P331-A365 VanDerWaalsContact O-CB 3.24Å; P331-A365 WeakPolarHBondContact O-CB 3.31Å
332D93.8Very high94.2Very high4 Ų414.6 Ų14.62%0.0218%0.081CC..THydrogen-bonded Turntrans-78.8-15-175.660.80.8000114.4E38 Q330 E334 T359 T363 A365E38-D332 HydrophobicContact CG-CB 4.26Å; E38-D332 WeakPolarHBondContact CG-OD2 3.47Å; Q330-D332 VanDerWaalsContact C-N 3.26Å; Q330-D332 PolarHBondContact O-N 2.68Å; D332-E334 HydrophobicContact CB-CG 4.18Å; D332-E334 PolarHBondContact O-N 3.18Å; D332-E334 PolarHBondContact OD1-N 2.88Å; D332-T359 HydrophobicContact CB-CG2 3.89Å; D332-T363 HydrophobicContact CB-CG2 3.99Å; D332-A365 VanDerWaalsContact O-CB 3.27Å; D332-A365 WeakPolarHBondContact O-CB 3.25Å; D332-A365 PolarHBondContact O-N 3.04Å
333L94.4Very high94.2Very high0 Ų012.1 Ų12.10%06%0.062CC..SBendtrans56.627.7-170.4-55.7177.9000113.3A236 R339 F342 L355 L364 A365 L368A236-L333 HydrophobicContact CB-CD2 4.05Å; L333-R339 WeakPolarHBondContact O-CD 3.03Å; L333-R339 PolarHBondContact O-NH1 3.29Å; L333-F342 HydrophobicContact CD1-CD2 3.81Å; L333-F342 HydrophobicContact CD1-CE2 4.25Å; L333-F342 HydrophobicContact CD1-CG 4.23Å; L333-F342 HydrophobicContact CD2-CB 4.36Å; L333-L355 HydrophobicContact CD1-CD2 3.87Å; L333-L355 HydrophobicContact CG-CD2 4.31Å; L333-L364 HydrophobicContact CB-CB 4.22Å; L333-L364 HydrophobicContact CB-CD2 3.91Å; L333-L364 HydrophobicContact CB-CG 4.16Å; L333-L364 HydrophobicContact CD1-CD2 4.33Å; L333-L364 HydrophobicContact CD1-CG 4.38Å; L333-A365 HydrophobicContact CD1-CB 4.46Å; L333-A365 HydrophobicContact CG-CB 4.25Å; L333-L368 HydrophobicContact CD1-CD1 3.87Å
334E91.8Very high94.1Very high56 Ų5616.7 Ų16.726%0.2628%0.083SC..SBendtrans-89.3-38.5177.3-72.1-55.9141.800112.5D332 R339 T363 L364D332-E334 HydrophobicContact CB-CG 4.18Å; D332-E334 PolarHBondContact O-N 3.18Å; D332-E334 PolarHBondContact OD1-N 2.88Å; E334-R339 IonicContact OE2-NH1 3.37Å; E334-T363 HydrophobicContact CG-CG2 4.04Å; E334-T363 VanDerWaalsContact OE1-CA 3.32Å; E334-T363 WeakPolarHBondContact OE1-CA 3.31Å; E334-L364 PolarHBondContact OE1-N 3.5Å
335S90.8Very high94.1Very high6 Ų617.3 Ų17.34%0.0429%0.085CC..SBendtrans-141.4174.4-176.270.70000112.5Q330Q330-S335 WeakPolarHBondContact CB-O 3.46Å
336G90.9Very high93.9Very high6 Ų617.3 Ų17.36%0.0629%0.085CC..Hα-helixtrans68.8-162.7176.200000114.9S338 R339 E340G336-S338 VanDerWaalsContact C-N 3.34Å; G336-S338 PolarHBondContact O-N 2.75Å; G336-R339 PolarHBondContact O-N 2.54Å; G336-E340 PolarHBondContact O-N 3.11Å
337F93.9Very high93.8Very high12 Ų1221.9 Ų21.95%0.05311%0.106CC..Hα-helixtrans-70.5-26.3-170.5-62.9-58.7000114.2L269 N271 H312 L314 E340 L341L269-F337 HydrophobicContact CD1-CD2 3.88Å; L269-F337 HydrophobicContact CD1-CE2 4.04Å; L269-F337 HydrophobicContact CD1-CG 4.13Å; L269-F337 HydrophobicContact CD1-CZ 4.44Å; L269-F337 HydrophobicContact CD2-CB 3.48Å; L269-F337 VanDerWaalsContact CD2-CB 3.48Å; L269-F337 HydrophobicContact CD2-CD1 4.07Å; L269-F337 HydrophobicContact CD2-CD2 4.15Å; L269-F337 HydrophobicContact CD2-CG 3.65Å; L269-F337 HydrophobicContact CG-CB 3.76Å; L269-F337 HydrophobicContact CG-CD1 4.38Å; L269-F337 HydrophobicContact CG-CD2 3.62Å; L269-F337 HydrophobicContact CG-CE2 4.29Å; L269-F337 HydrophobicContact CG-CG 3.66Å; N271-F337 WeakPolarHBondContact OD1-CE2 3.31Å; H312-F337 WeakPolarHBondContact O-CE2 3.35Å; H312-F337 WeakPolarHBondContact O-CZ 3.14Å; L314-F337 HydrophobicContact CD2-CD1 4.01Å; L314-F337 HydrophobicContact CG-CD1 3.98Å; L314-F337 HydrophobicContact CG-CE1 4.17Å; F337-E340 PolarHBondContact O-N 3.15Å; F337-L341 WeakPolarHBondContact O-CB 3.29Å; F337-L341 WeakPolarHBondContact O-CG 3.4Å; F337-L341 PolarHBondContact O-N 3.3Å
338S95Very high93.7Very high0 Ų025.3 Ų25.30%013%0.125CC..Hα-helixtrans-64.6-42.6176.966.90000111.2S329 Q330 G336 F342S329-S338 WeakPolarHBondContact O-CB 3.5Å; S329-S338 PolarHBondContact O-OG 2.92Å; S329-S338 VanDerWaalsContact O-OG 3.14Å; Q330-S338 VanDerWaalsContact O-CB 3.31Å; Q330-S338 WeakPolarHBondContact O-CB 3.28Å; Q330-S338 PolarHBondContact O-OG 3.44Å; G336-S338 VanDerWaalsContact C-N 3.34Å; G336-S338 PolarHBondContact O-N 2.75Å; S338-F342 VanDerWaalsContact O-CB 3.23Å; S338-F342 WeakPolarHBondContact O-CB 3.18Å; S338-F342 PolarHBondContact O-N 3.39Å
339R94Very high93.7Very high30 Ų3028.7 Ų28.711%0.11315%0.153CC..Hα-helixtrans-65.2-44.1174.3-179.849.4162.6-109.3-3.3111.9L333 E334 G336 F342 T343 E380L333-R339 WeakPolarHBondContact O-CD 3.03Å; L333-R339 PolarHBondContact O-NH1 3.29Å; E334-R339 IonicContact OE2-NH1 3.37Å; G336-R339 PolarHBondContact O-N 2.54Å; R339-F342 WeakPolarHBondContact O-CB 3.49Å; R339-F342 PolarHBondContact O-N 2.93Å; R339-T343 WeakPolarHBondContact O-CG2 3.33Å; R339-T343 PolarHBondContact O-N 2.95Å; R339-T343 VanDerWaalsContact O-N 3.07Å; R339-T343 PolarHBondContact O-OG1 3.48Å; R339-E380 PolarHBondContact NH2-O 2.96Å
340E92.8Very high94Very high52 Ų5234.4 Ų34.424%0.24318%0.177CC..Hα-helixtrans-65.8-39178.1-68.9-175.9-175.700113.2L314 G336 F337 T343 Q344L314-E340 HydrophobicContact CD1-CB 4.46Å; L314-E340 WeakPolarHBondContact CD1-OE2 3.5Å; G336-E340 PolarHBondContact O-N 3.11Å; F337-E340 PolarHBondContact O-N 3.15Å; E340-T343 PolarHBondContact O-OG1 3.39Å; E340-Q344 VanDerWaalsContact O-CG 3.29Å; E340-Q344 WeakPolarHBondContact O-CG 3.27Å; E340-Q344 PolarHBondContact O-N 3Å; E340-Q344 PolarHBondContact O-NE2 3.41Å
341L95.1Very high94.3Very high2 Ų234.2 Ų34.21%0.0118%0.176CC..Hα-helixtrans-74.3-34.1176.1-75.9168.9000111.9L234 L269 L314 L317 V326 C328 F337 Q344 W345L234-L341 HydrophobicContact CD1-CB 4.17Å; L234-L341 HydrophobicContact CD1-CD1 4.33Å; L234-L341 HydrophobicContact CD2-CB 4.2Å; L269-L341 HydrophobicContact CD2-CD1 3.71Å; L314-L341 HydrophobicContact CD2-CD2 4.2Å; L314-L341 HydrophobicContact CD2-CG 4.2Å; L317-L341 HydrophobicContact CD2-CD1 3.72Å; L317-L341 HydrophobicContact CD2-CD2 3.85Å; L317-L341 HydrophobicContact CD2-CG 4.39Å; V326-L341 HydrophobicContact CG1-CD1 4.31Å; C328-L341 WeakPolarHBondContact SG-CD1 3.49Å; F337-L341 WeakPolarHBondContact O-CB 3.29Å; F337-L341 WeakPolarHBondContact O-CG 3.4Å; F337-L341 PolarHBondContact O-N 3.3Å; L341-Q344 PolarHBondContact O-N 3.17Å; L341-W345 HydrophobicContact CD2-CD2 4.37Å; L341-W345 HydrophobicContact CD2-CH2 4.13Å; L341-W345 HydrophobicContact CD2-CZ2 3.64Å; L341-W345 VanDerWaalsContact O-CB 3.26Å; L341-W345 WeakPolarHBondContact O-CB 3.17Å; L341-W345 PolarHBondContact O-N 3.05Å
342F95.7Very high94.5Very high0 Ų033.1 Ų33.10%017%0.169CC..Hα-helixtrans-56.9-51.7172.4175.9-91.5000110.7L234 L333 S338 R339 Q344 W345 C346 I353 L364 L368 L377 L379 I532L234-F342 HydrophobicContact CD2-CB 4.15Å; L333-F342 HydrophobicContact CD1-CD2 3.81Å; L333-F342 HydrophobicContact CD1-CE2 4.25Å; L333-F342 HydrophobicContact CD1-CG 4.23Å; L333-F342 HydrophobicContact CD2-CB 4.36Å; S338-F342 VanDerWaalsContact O-CB 3.23Å; S338-F342 WeakPolarHBondContact O-CB 3.18Å; S338-F342 PolarHBondContact O-N 3.39Å; R339-F342 WeakPolarHBondContact O-CB 3.49Å; R339-F342 PolarHBondContact O-N 2.93Å; F342-Q344 VanDerWaalsContact C-N 3.3Å; F342-Q344 PolarHBondContact O-N 3.19Å; F342-W345 PolarHBondContact O-N 3.34Å; F342-C346 HydrophobicContact CD1-CB 4.45Å; F342-C346 HydrophobicContact CD2-CB 4.4Å; F342-C346 HydrophobicContact CE1-CB 4.15Å; F342-C346 HydrophobicContact CE2-CB 4.12Å; F342-C346 HydrophobicContact CZ-CB 3.99Å; F342-C346 WeakPolarHBondContact O-CB 3.34Å; F342-C346 PolarHBondContact O-N 3.3Å; F342-C346 PolarHBondContact O-SG 2.95Å; F342-I353 HydrophobicContact CD2-CD1 3.55Å; F342-I353 HydrophobicContact CD2-CG1 4.39Å; F342-I353 HydrophobicContact CD2-CG2 4.27Å; F342-I353 HydrophobicContact CE2-CD1 3.65Å; F342-L364 HydrophobicContact CD1-CD2 4.06Å; F342-L364 HydrophobicContact CE1-CD2 3.91Å; F342-L364 HydrophobicContact CZ-CD2 4.37Å; F342-L368 HydrophobicContact CD2-CD1 4.5Å; F342-L368 HydrophobicContact CE2-CD1 3.62Å; F342-L368 HydrophobicContact CZ-CD1 3.92Å; F342-L377 HydrophobicContact CE1-CD2 4.16Å; F342-L377 HydrophobicContact CZ-CD2 4.32Å; F342-L379 HydrophobicContact CD1-CD1 4.2Å; F342-L379 HydrophobicContact CE1-CD1 3.81Å; F342-I532 HydrophobicContact CZ-CD1 4.24Å; F342-I532 HydrophobicContact CZ-CG1 4.5Å
343T93.8Very high94.6Very high25 Ų2532.9 Ų32.915%0.15317%0.168CC..Hα-helixtrans-62.7-35.5-179.756.30000112.5R339 E340 L379 V381 F530R339-T343 WeakPolarHBondContact O-CG2 3.33Å; R339-T343 PolarHBondContact O-N 2.95Å; R339-T343 VanDerWaalsContact O-N 3.07Å; R339-T343 PolarHBondContact O-OG1 3.48Å; E340-T343 PolarHBondContact O-OG1 3.39Å; T343-L379 HydrophobicContact CG2-CD1 4.45Å; T343-V381 HydrophobicContact CG2-CG2 4.36Å; T343-F530 HydrophobicContact CG2-CE1 4.31Å; T343-F530 HydrophobicContact CG2-CE2 4.26Å; T343-F530 HydrophobicContact CG2-CZ 3.91Å
344Q93.3Very high94.8Very high111 Ų11132.9 Ų32.952%0.51917%0.168SC..Hα-helixtrans-71.4-34.9176.2-70.7174.539.400113.4E340 L341 F342E340-Q344 VanDerWaalsContact O-CG 3.29Å; E340-Q344 WeakPolarHBondContact O-CG 3.27Å; E340-Q344 PolarHBondContact O-N 3Å; E340-Q344 PolarHBondContact O-NE2 3.41Å; L341-Q344 PolarHBondContact O-N 3.17Å; F342-Q344 VanDerWaalsContact C-N 3.3Å; F342-Q344 PolarHBondContact O-N 3.19Å
345W95.2Very high95.1Very high24 Ų2430.3 Ų30.39%0.09116%0.156CC..Hα-helixtrans-106.7-18.2-166.8-68.32.3000114.4N232 L234 K324 V326 L341 F342 Q347 N348 N351N232-W345 HydrophobicContact CB-CD2 4.08Å; N232-W345 HydrophobicContact CB-CE3 3.77Å; N232-W345 HydrophobicContact CB-CH2 3.72Å; N232-W345 HydrophobicContact CB-CZ2 4.03Å; N232-W345 HydrophobicContact CB-CZ3 3.6Å; L234-W345 HydrophobicContact CB-CE3 3.89Å; L234-W345 HydrophobicContact CB-CZ3 4.02Å; K324-W345 HydrophobicContact CG-CH2 4.37Å; V326-W345 HydrophobicContact CB-CH2 4.42Å; V326-W345 HydrophobicContact CG2-CH2 3.64Å; V326-W345 HydrophobicContact CG2-CZ3 4.21Å; L341-W345 HydrophobicContact CD2-CD2 4.37Å; L341-W345 HydrophobicContact CD2-CH2 4.13Å; L341-W345 HydrophobicContact CD2-CZ2 3.64Å; L341-W345 VanDerWaalsContact O-CB 3.26Å; L341-W345 WeakPolarHBondContact O-CB 3.17Å; L341-W345 PolarHBondContact O-N 3.05Å; F342-W345 PolarHBondContact O-N 3.34Å; W345-Q347 VanDerWaalsContact C-N 3.3Å; W345-Q347 PolarHBondContact O-N 3.13Å; W345-N348 PolarHBondContact O-N 2.81Å; W345-N351 HydrophobicContact CB-CB 4.4Å; W345-N351 VanDerWaalsContact CB-ND2 3.32Å; W345-N351 WeakPolarHBondContact CB-ND2 3.47Å; W345-N351 PolarHBondContact O-ND2 3.22Å; W345-N351 VanDerWaalsContact O-ND2 3.13Å
346C94.6Very high95.4Very high0 Ų030.2 Ų30.20%016%0.155CC..THydrogen-bonded Turntrans-64.5-28.8-173.766.90000113.9F342 N348 I353 R533 A534F342-C346 HydrophobicContact CD1-CB 4.45Å; F342-C346 HydrophobicContact CD2-CB 4.4Å; F342-C346 HydrophobicContact CE1-CB 4.15Å; F342-C346 HydrophobicContact CE2-CB 4.12Å; F342-C346 HydrophobicContact CZ-CB 3.99Å; F342-C346 WeakPolarHBondContact O-CB 3.34Å; F342-C346 PolarHBondContact O-N 3.3Å; F342-C346 PolarHBondContact O-SG 2.95Å; C346-N348 VanDerWaalsContact C-N 3.31Å; C346-N348 PolarHBondContact O-N 3.23Å; C346-I353 HydrophobicContact CB-CD1 4.09Å; C346-R533 PolarHBondContact O-N 3.08Å; C346-A534 WeakPolarHBondContact O-CB 2.89Å; C346-A534 PolarHBondContact O-N 3.29Å
347Q94.6Very high95.5Very high96 Ų9630.9 Ų30.945%0.44916%0.156SC..THydrogen-bonded Turntrans-80.7-8.4-178.9-63-176.2-13.100114W345 F530 E531 R533W345-Q347 VanDerWaalsContact C-N 3.3Å; W345-Q347 PolarHBondContact O-N 3.13Å; Q347-F530 HydrophobicContact CG-CD1 4.32Å; Q347-E531 WeakPolarHBondContact CA-O 3.35Å; Q347-R533 WeakPolarHBondContact O-CB 3.2Å; Q347-R533 WeakPolarHBondContact O-CD 3.3Å
348N95.8Very high95.5Very high73 Ų7331.4 Ų31.439%0.3916%0.158SC..  trans-100.2116.2-179.4-176.6-5.9000111.2W345 C346 K350 N351 A534W345-N348 PolarHBondContact O-N 2.81Å; C346-N348 VanDerWaalsContact C-N 3.31Å; C346-N348 PolarHBondContact O-N 3.23Å; N348-K350 PolarHBondContact O-N 3.45Å; N348-K350 VanDerWaalsContact O-N 3.09Å; N348-K350 PolarHBondContact OD1-N 3.02Å; N348-N351 PolarHBondContact O-N 3.24Å; N348-A534 WeakPolarHBondContact O-CA 3.49Å
349A96Very high95.3Very high71 Ų7131.5 Ų31.559%0.58716%0.158SC*.THydrogen-bonded Turntrans-63.6-15.6-178.200000115.2R533A349-R533 WeakPolarHBondContact CA-O 3.48Å; A349-R533 HydrophobicContact CB-CB 4.17Å
350K96.5Very high95.1Very high120 Ų12031 Ų3152%0.52216%0.159SC..THydrogen-bonded Turntrans-78.9-24.7175.6-63.3-177.7179.3-177.20112.6T226 G231 N348T226-K350 WeakPolarHBondContact CG2-O 3.26Å; G231-K350 WeakPolarHBondContact CA-O 3.39Å; N348-K350 PolarHBondContact O-N 3.45Å; N348-K350 VanDerWaalsContact O-N 3.09Å; N348-K350 PolarHBondContact OD1-N 3.02Å
351N97.6Very high95Very high7 Ų731.9 Ų31.94%0.03717%0.169CC..  trans-80.1158.2-175.4-66.1-19000111.2N232 W345 N348 A534 R535N232-N351 PolarHBondContact N-OD1 3.49Å; N232-N351 VanDerWaalsContact O-CA 3.29Å; N232-N351 WeakPolarHBondContact O-CA 3.2Å; W345-N351 HydrophobicContact CB-CB 4.4Å; W345-N351 VanDerWaalsContact CB-ND2 3.32Å; W345-N351 WeakPolarHBondContact CB-ND2 3.47Å; W345-N351 PolarHBondContact O-ND2 3.22Å; W345-N351 VanDerWaalsContact O-ND2 3.13Å; N348-N351 PolarHBondContact O-N 3.24Å; N351-A534 HydrophobicContact CB-CB 4.17Å; N351-A534 WeakPolarHBondContact O-CA 3.24Å; N351-R535 PolarHBondContact O-N 3.3Å
352S97.9Very high94.7Very high0 Ų035 Ų350%020%0.202CC..EExtended strand (participates in β ladder)trans-128.8143.6169.5-1680000111.2N222 T226 N232 V233 L234 R535N222-S352 PolarHBondContact OD1-OG 3.06Å; T226-S352 VanDerWaalsContact OG1-CB 3.28Å; T226-S352 WeakPolarHBondContact OG1-CB 3.42Å; N232-S352 PolarHBondContact O-N 3.04Å; V233-S352 WeakPolarHBondContact CA-O 3.3Å; L234-S352 PolarHBondContact N-O 3.01Å; S352-R535 CarbonylContact C-O 3.57Å; S352-R535 WeakPolarHBondContact CA-O 3.39Å; S352-R535 WeakPolarHBondContact CB-O 3.28Å; S352-R535 PolarHBondContact OG-O 2.78Å
353I97.7Very high94.6Very high0 Ų035.1 Ų35.10%020%0.202CC..EExtended strand (participates in β ladder)trans-118.8118.1177.3-61.9155000106.5L234 F342 C346 L355 A534 R535 V536 T537L234-I353 HydrophobicContact CB-CG1 4.32Å; L234-I353 HydrophobicContact CD2-CG1 4.33Å; L234-I353 HydrophobicContact CD2-CG2 4.24Å; L234-I353 CarbonylContact O-C 3.53Å; L234-I353 WeakPolarHBondContact O-CA 3.39Å; F342-I353 HydrophobicContact CD2-CD1 3.55Å; F342-I353 HydrophobicContact CD2-CG1 4.39Å; F342-I353 HydrophobicContact CD2-CG2 4.27Å; F342-I353 HydrophobicContact CE2-CD1 3.65Å; C346-I353 HydrophobicContact CB-CD1 4.09Å; I353-L355 HydrophobicContact CG2-CD2 4.29Å; I353-A534 HydrophobicContact CD1-CB 3.95Å; I353-R535 PolarHBondContact N-O 3.29Å; I353-V536 HydrophobicContact CB-CG2 4.31Å; I353-V536 HydrophobicContact CD1-CG2 4.19Å; I353-V536 CarbonylContact O-C 3.6Å; I353-V536 VanDerWaalsContact O-CA 3.31Å; I353-V536 WeakPolarHBondContact O-CA 3.47Å; I353-T537 PolarHBondContact O-N 3.28Å
354I98.1Very high94.6Very high0 Ų034.4 Ų34.40%020%0.197CC..EExtended strand (participates in β ladder)trans-109.7115.9-177.4-55.1-176.9000108L219 N222 V223 V233 L234 I235 A236 T356 T537 I539L219-I354 HydrophobicContact CD1-CD1 3.73Å; L219-I354 HydrophobicContact CD1-CG2 4.13Å; N222-I354 HydrophobicContact CB-CD1 4.24Å; V223-I354 HydrophobicContact CG2-CD1 4Å; V233-I354 HydrophobicContact CG1-CD1 3.73Å; V233-I354 HydrophobicContact CG1-CG1 4.07Å; L234-I354 PolarHBondContact O-N 3.1Å; I235-I354 WeakPolarHBondContact CA-O 3.43Å; I235-I354 HydrophobicContact CG1-CB 4.25Å; I235-I354 HydrophobicContact CG1-CD1 4.42Å; I235-I354 HydrophobicContact CG2-CB 4.43Å; A236-I354 PolarHBondContact N-O 3.33Å; I354-T356 HydrophobicContact CG2-CG2 4.12Å; I354-T537 WeakPolarHBondContact CA-O 3.22Å; I354-I539 HydrophobicContact CG2-CB 4.42Å; I354-I539 HydrophobicContact CG2-CD1 3.99Å; I354-I539 HydrophobicContact CG2-CG1 4.15Å
355L97.8Very high94.6Very high2 Ų229.1 Ų29.11%0.0117%0.173CC..EExtended strand (participates in β ladder)trans-92.9125.7174.5-57.5178.4000108A236 L333 I353 A365 L368 I369 V536 T537 Y538 I539A236-L355 HydrophobicContact CB-CD2 3.92Å; L333-L355 HydrophobicContact CD1-CD2 3.87Å; L333-L355 HydrophobicContact CG-CD2 4.31Å; I353-L355 HydrophobicContact CG2-CD2 4.29Å; L355-A365 HydrophobicContact CD1-CB 4.37Å; L355-A365 HydrophobicContact CD2-CB 4.26Å; L355-L368 HydrophobicContact CD1-CB 3.89Å; L355-L368 HydrophobicContact CD1-CD1 4.47Å; L355-I369 HydrophobicContact CB-CG1 4.44Å; L355-I369 HydrophobicContact CD1-CD1 4.33Å; L355-I369 HydrophobicContact CD1-CG1 3.73Å; L355-V536 HydrophobicContact CD1-CG1 4.18Å; L355-V536 HydrophobicContact CG-CG1 4.48Å; L355-T537 PolarHBondContact N-O 2.94Å; L355-Y538 HydrophobicContact CB-CD2 4.22Å; L355-Y538 WeakPolarHBondContact O-CA 3.48Å; L355-Y538 WeakPolarHBondContact O-CD2 3.24Å; L355-I539 PolarHBondContact O-N 2.96Å
356T96.4Very high94.6Very high3 Ų329.3 Ų29.32%0.01817%0.174CC..  trans-109.6-10.5-17265.50000114.4I235 A236 V237 L246 I354 I539 Y541I235-T356 HydrophobicContact CG2-CG2 3.45Å; I235-T356 VanDerWaalsContact CG2-CG2 3.45Å; A236-T356 PolarHBondContact O-OG1 3.07Å; V237-T356 HydrophobicContact CG1-CG2 4.41Å; L246-T356 HydrophobicContact CD1-CG2 3.78Å; I354-T356 HydrophobicContact CG2-CG2 4.12Å; T356-I539 WeakPolarHBondContact CA-O 3.15Å; T356-Y541 PolarHBondContact O-N 2.82Å
357Y93.9Very high94.6Very high21 Ų2133.1 Ų33.18%0.08219%0.188CC..SBendtrans-138143.6-172.7-167.3-92.4000109.9P331 T359 E542 R544P331-Y357 HydrophobicContact CB-CD1 4.46Å; P331-Y357 HydrophobicContact CB-CG 4.49Å; P331-Y357 HydrophobicContact CG-CD1 4.37Å; Y357-T359 HydrophobicContact CD1-CG2 3.78Å; Y357-T359 HydrophobicContact CE1-CG2 4.35Å; Y357-E542 HydrophobicContact CD2-CB 3.86Å; Y357-E542 HydrophobicContact CE2-CB 4.08Å; Y357-R544 PolarHBondContact OH-NH1 2.9Å; Y357-R544 VanDerWaalsContact OH-NH1 3.16Å; Y357-R544 PolarHBondContact OH-NH2 2.81Å
358R92.9Very high94.6Very high22 Ų2229 Ų298%0.08317%0.17CC..  trans-95.9109.3176.4-166.5-168.6-44.1147.715.3108.5F203 N204 R366 E542F203-R358 HydrophobicContact CZ-CB 4.35Å; F203-R358 HydrophobicContact CZ-CG 4.37Å; N204-R358 PolarHBondContact OD1-NH1 3.23Å; N204-R358 PolarHBondContact OD1-NH2 3.1Å; R358-R366 VanDerWaalsContact CD-CZ 3.46Å; R358-E542 IonicContact NH2-OE1 2.7Å; R358-E542 PolarHBondContact NH2-OE1 3.18Å; R358-E542 IonicContact NH2-OE2 3.92Å
359T91.6Very high94.5Very high3 Ų327 Ų272%0.01816%0.158CC..PPolyproline II helixtrans-91.3174-177.351.60000112.1P331 D332 Y357 T363 R366P331-T359 HydrophobicContact CB-CG2 4.24Å; P331-T359 HydrophobicContact CG-CG2 4.15Å; D332-T359 HydrophobicContact CB-CG2 3.89Å; Y357-T359 HydrophobicContact CD1-CG2 3.78Å; Y357-T359 HydrophobicContact CE1-CG2 4.35Å; T359-T363 PolarHBondContact OG1-OG1 3.16Å; T359-R366 WeakPolarHBondContact O-CD 3.41Å; T359-R366 PolarHBondContact O-NE 2.67Å
360T90.4Very high94.4Very high19 Ų1927.8 Ų27.812%0.11715%0.153CC..PPolyproline II helixtrans-56.4140.2-179.6-52.70000111.9E16 E38 G362 T363E16-T360 PolarHBondContact O-OG1 3.21Å; E38-T360 VanDerWaalsContact CD-OG1 3.28Å; E38-T360 PolarHBondContact OE1-N 3.44Å; E38-T360 PolarHBondContact OE1-OG1 3.41Å; E38-T360 WeakPolarHBondContact OE2-CB 3.46Å; E38-T360 PolarHBondContact OE2-OG1 2.95Å; T360-G362 PolarHBondContact O-N 3.07Å; T360-T363 WeakPolarHBondContact O-CG2 3.34Å; T360-T363 PolarHBondContact O-N 3.01Å; T360-T363 PolarHBondContact O-OG1 3.3Å
361P89.9Confident94.1Very high71 Ų7125.4 Ų25.446%0.46115%0.146SC..THydrogen-bonded Turntrans-50.5132170.2-2835.5000112.4E16E16-P361 HydrophobicContact CB-CG 4.14Å
362G89Confident93.6Very high68 Ų6830.5 Ų30.570%0.70118%0.179SC*.THydrogen-bonded Turntrans104.4-10.4-177.100000114.6T360T360-G362 PolarHBondContact O-N 3.07Å
363T93.2Very high92.8Very high2 Ų233.7 Ų33.71%0.01221%0.212CC..SBendtrans-82.7155.5171.457.10000112.3E38 D332 E334 T359 T360 A365 R366 Y367E38-T363 HydrophobicContact CB-CG2 4.11Å; E38-T363 HydrophobicContact CG-CG2 4.42Å; D332-T363 HydrophobicContact CB-CG2 3.99Å; E334-T363 HydrophobicContact CG-CG2 4.04Å; E334-T363 VanDerWaalsContact OE1-CA 3.32Å; E334-T363 WeakPolarHBondContact OE1-CA 3.31Å; T359-T363 PolarHBondContact OG1-OG1 3.16Å; T360-T363 WeakPolarHBondContact O-CG2 3.34Å; T360-T363 PolarHBondContact O-N 3.01Å; T360-T363 PolarHBondContact O-OG1 3.3Å; T363-A365 PolarHBondContact O-N 3.1Å; T363-R366 PolarHBondContact O-N 2.86Å; T363-R366 VanDerWaalsContact OG1-CB 3.29Å; T363-R366 WeakPolarHBondContact OG1-CB 3.44Å; T363-Y367 PolarHBondContact O-N 2.7Å
364L93.8Very high92.1Very high9 Ų937.7 Ų37.75%0.04723%0.231CC..Hα-helixtrans-60.5-45.6178.1173.458.4000111.7L333 E334 F342 R366 Y367 L368 L377 L379L333-L364 HydrophobicContact CB-CB 4.22Å; L333-L364 HydrophobicContact CB-CD2 3.91Å; L333-L364 HydrophobicContact CB-CG 4.16Å; L333-L364 HydrophobicContact CD1-CD2 4.33Å; L333-L364 HydrophobicContact CD1-CG 4.38Å; E334-L364 PolarHBondContact OE1-N 3.5Å; F342-L364 HydrophobicContact CD1-CD2 4.06Å; F342-L364 HydrophobicContact CE1-CD2 3.91Å; F342-L364 HydrophobicContact CZ-CD2 4.37Å; L364-R366 VanDerWaalsContact C-N 3.29Å; L364-R366 PolarHBondContact O-N 3.24Å; L364-Y367 WeakPolarHBondContact O-CB 3.31Å; L364-Y367 PolarHBondContact O-N 2.82Å; L364-L368 HydrophobicContact CD1-CD1 4.12Å; L364-L368 HydrophobicContact CD1-CG 4.04Å; L364-L368 HydrophobicContact CG-CD1 4.15Å; L364-L368 WeakPolarHBondContact O-CG 3.45Å; L364-L368 PolarHBondContact O-N 2.85Å; L364-L377 HydrophobicContact CD1-CD1 4.13Å; L364-L377 HydrophobicContact CD1-CD2 3.51Å; L364-L377 HydrophobicContact CD1-CG 4.43Å; L364-L377 HydrophobicContact CD2-CD2 4.47Å; L364-L379 HydrophobicContact CD1-CD2 4.16Å; L364-L379 HydrophobicContact CD2-CD1 3.91Å; L364-L379 HydrophobicContact CD2-CD2 4.13Å
365A94.5Very high91.4Very high0 Ų044.4 Ų44.40%026%0.26CS..Hα-helixtrans-58.5-43.6177.800000111.3P331 D332 L333 L355 T363 Y367 L368 I369P331-A365 VanDerWaalsContact O-CB 3.24Å; P331-A365 WeakPolarHBondContact O-CB 3.31Å; D332-A365 VanDerWaalsContact O-CB 3.27Å; D332-A365 WeakPolarHBondContact O-CB 3.25Å; D332-A365 PolarHBondContact O-N 3.04Å; L333-A365 HydrophobicContact CD1-CB 4.46Å; L333-A365 HydrophobicContact CG-CB 4.25Å; L355-A365 HydrophobicContact CD1-CB 4.37Å; L355-A365 HydrophobicContact CD2-CB 4.26Å; T363-A365 PolarHBondContact O-N 3.1Å; A365-Y367 PolarHBondContact O-N 3.06Å; A365-L368 PolarHBondContact O-N 3.27Å; A365-I369 VanDerWaalsContact O-CG1 3.28Å; A365-I369 WeakPolarHBondContact O-CG1 3.37Å; A365-I369 PolarHBondContact O-N 2.8Å
366R93.9Very high91Very high29 Ų2949.3 Ų49.311%0.10928%0.284CS..Hα-helixtrans-62.9-43.7177.6-169.454.7155.5135.6-2.8112E16 R358 T359 T363 L364 L368 I369 D370E16-R366 IonicContact OE1-NH2 2.88Å; E16-R366 PolarHBondContact OE1-NH2 3.21Å; E16-R366 IonicContact OE2-CZ 3.53Å; E16-R366 IonicContact OE2-NE 3.69Å; E16-R366 IonicContact OE2-NH2 2.62Å; E16-R366 PolarHBondContact OE2-NH2 3.44Å; R358-R366 VanDerWaalsContact CD-CZ 3.46Å; T359-R366 WeakPolarHBondContact O-CD 3.41Å; T359-R366 PolarHBondContact O-NE 2.67Å; T363-R366 PolarHBondContact O-N 2.86Å; T363-R366 VanDerWaalsContact OG1-CB 3.29Å; T363-R366 WeakPolarHBondContact OG1-CB 3.44Å; L364-R366 VanDerWaalsContact C-N 3.29Å; L364-R366 PolarHBondContact O-N 3.24Å; R366-L368 VanDerWaalsContact C-N 3.31Å; R366-L368 PolarHBondContact O-N 3.16Å; R366-I369 PolarHBondContact O-N 2.7Å; R366-I369 VanDerWaalsContact O-N 3.16Å; R366-D370 IonicContact CZ-OD1 2.86Å; R366-D370 IonicContact CZ-OD2 3.29Å; R366-D370 IonicContact NE-OD2 3.35Å; R366-D370 IonicContact NH1-OD1 3.55Å; R366-D370 PolarHBondContact NH1-OD1 2.93Å; R366-D370 IonicContact NH1-OD2 2.84Å; R366-D370 PolarHBondContact O-N 3.32Å
367Y94.5Very high90.7Very high79 Ų7949.9 Ų49.931%0.3129%0.287SS..Hα-helixtrans-57.6-42.1175176.7-98.5000112.7T363 L364 A365 D370 N371 E374 L377T363-Y367 PolarHBondContact O-N 2.7Å; L364-Y367 WeakPolarHBondContact O-CB 3.31Å; L364-Y367 PolarHBondContact O-N 2.82Å; A365-Y367 PolarHBondContact O-N 3.06Å; Y367-D370 PolarHBondContact O-N 3.09Å; Y367-N371 WeakPolarHBondContact O-CB 3.42Å; Y367-N371 PolarHBondContact O-N 2.78Å; Y367-N371 PolarHBondContact O-ND2 2.97Å; Y367-E374 PolarHBondContact OH-OE1 3.16Å; Y367-E374 PolarHBondContact OH-OE2 2.75Å; Y367-L377 HydrophobicContact CD1-CD1 3.99Å; Y367-L377 HydrophobicContact CE1-CD1 3.54Å
368L94.4Very high90.4Very high11 Ų1154.2 Ų54.26%0.05831%0.312CS..Hα-helixtrans-69.9-29.7177.9-68.1173.4000113.5L333 F342 L355 L364 A365 R366 I532 V536L333-L368 HydrophobicContact CD1-CD1 3.87Å; F342-L368 HydrophobicContact CD2-CD1 4.5Å; F342-L368 HydrophobicContact CE2-CD1 3.62Å; F342-L368 HydrophobicContact CZ-CD1 3.92Å; L355-L368 HydrophobicContact CD1-CB 3.89Å; L355-L368 HydrophobicContact CD1-CD1 4.47Å; L364-L368 HydrophobicContact CD1-CD1 4.12Å; L364-L368 HydrophobicContact CD1-CG 4.04Å; L364-L368 HydrophobicContact CG-CD1 4.15Å; L364-L368 WeakPolarHBondContact O-CG 3.45Å; L364-L368 PolarHBondContact O-N 2.85Å; A365-L368 PolarHBondContact O-N 3.27Å; R366-L368 VanDerWaalsContact C-N 3.31Å; R366-L368 PolarHBondContact O-N 3.16Å; L368-I532 HydrophobicContact CD2-CD1 3.66Å; L368-V536 HydrophobicContact CB-CG1 4.27Å; L368-V536 HydrophobicContact CD1-CG1 4.49Å
369I94.4Very high90.2Very high30 Ų3053.7 Ų53.715%0.15431%0.311CS..Hα-helixtrans-69.5-46.4174.7-67.7166.4000110L355 A365 R366 Y538L355-I369 HydrophobicContact CB-CG1 4.44Å; L355-I369 HydrophobicContact CD1-CD1 4.33Å; L355-I369 HydrophobicContact CD1-CG1 3.73Å; A365-I369 VanDerWaalsContact O-CG1 3.28Å; A365-I369 WeakPolarHBondContact O-CG1 3.37Å; A365-I369 PolarHBondContact O-N 2.8Å; R366-I369 PolarHBondContact O-N 2.7Å; R366-I369 VanDerWaalsContact O-N 3.16Å; I369-Y538 HydrophobicContact CD1-CD2 3.67Å; I369-Y538 HydrophobicContact CD1-CE2 3.98Å; I369-Y538 HydrophobicContact CD1-CG 4.33Å; I369-Y538 HydrophobicContact CG1-CD2 3.88Å; I369-Y538 HydrophobicContact CG1-CG 4.09Å; I369-Y538 HydrophobicContact CG2-CD1 4.36Å; I369-Y538 HydrophobicContact CG2-CG 4.19Å
370D93Very high89.9Confident87 Ų8757.2 Ų57.247%0.46533%0.327SS..Hα-helixtrans-79-28.6-173.4-61.4-18.2000112.2R366 Y367 P372R366-D370 IonicContact CZ-OD1 2.86Å; R366-D370 IonicContact CZ-OD2 3.29Å; R366-D370 IonicContact NE-OD2 3.35Å; R366-D370 IonicContact NH1-OD1 3.55Å; R366-D370 PolarHBondContact NH1-OD1 2.93Å; R366-D370 IonicContact NH1-OD2 2.84Å; R366-D370 PolarHBondContact O-N 3.32Å; Y367-D370 PolarHBondContact O-N 3.09Å; D370-P372 VanDerWaalsContact C-CD 3.43Å; D370-P372 VanDerWaalsContact O-CD 3.3Å; D370-P372 WeakPolarHBondContact O-CD 3.45Å
371N92.1Very high89.7Confident70 Ų7057.8 Ų57.837%0.37433%0.33SS..  trans-121.166.4-177.8-54.8-75.9000113.2Y367 G373 E374Y367-N371 WeakPolarHBondContact O-CB 3.42Å; Y367-N371 PolarHBondContact O-N 2.78Å; Y367-N371 PolarHBondContact O-ND2 2.97Å; N371-G373 PolarHBondContact O-N 3.17Å; N371-E374 WeakPolarHBondContact CB-OE2 3.45Å; N371-E374 PolarHBondContact O-N 2.98Å
372P85.9Confident89.5Confident114 Ų11459.4 Ų59.474%0.7433%0.327SS*.THydrogen-bonded Turntrans-68.1-11-174.928.2-36.7000114.8D370D370-P372 VanDerWaalsContact C-CD 3.43Å; D370-P372 VanDerWaalsContact O-CD 3.3Å; D370-P372 WeakPolarHBondContact O-CD 3.45Å
373G81.9Confident89.1Confident67 Ų6762.8 Ų62.869%0.69132%0.322SS*.THydrogen-bonded Turntrans-91.4-10.1-178.900000114.8N371N371-G373 PolarHBondContact O-N 3.17Å
374E82.1Confident88.6Confident85 Ų8565.9 Ų65.940%0.39733%0.334SS..  trans-77.5135.5-176.9-110.5162.6154.600112.1Y367 N371Y367-E374 PolarHBondContact OH-OE1 3.16Å; Y367-E374 PolarHBondContact OH-OE2 2.75Å; N371-E374 WeakPolarHBondContact CB-OE2 3.45Å; N371-E374 PolarHBondContact O-N 2.98Å
375K84.2Confident88.1Confident140 Ų14068.8 Ų68.861%0.60935%0.352SS*.  trans-119.2-11.7-174.7-65.7-171.1178.6-175.70113.7E531 I532K375-E531 CarbonylContact O-C 3.39Å; K375-E531 WeakPolarHBondContact O-CA 3.02Å; K375-I532 PolarHBondContact O-N 3.4Å
376M88.7Confident87.4Confident105 Ų10575 Ų7552%0.51738%0.379SS..EExtended strand (participates in β ladder)trans-122.4132.2-178.4-64.5-66-75.200107.6N529 F530 E531M376-N529 WeakPolarHBondContact CE-OD1 3.39Å; M376-F530 WeakPolarHBondContact CA-O 3.47Å; M376-E531 HydrophobicContact SD-CB 3.9Å; M376-E531 HydrophobicContact SD-CG 3.87Å
377L90Very high86.6Confident16 Ų1674.6 Ų74.68%0.08438%0.379CS..EExtended strand (participates in β ladder)trans-143.3126.1-174.8-175.675.8000109.4F342 L364 Y367 L379 F530 I532F342-L377 HydrophobicContact CE1-CD2 4.16Å; F342-L377 HydrophobicContact CZ-CD2 4.32Å; L364-L377 HydrophobicContact CD1-CD1 4.13Å; L364-L377 HydrophobicContact CD1-CD2 3.51Å; L364-L377 HydrophobicContact CD1-CG 4.43Å; L364-L377 HydrophobicContact CD2-CD2 4.47Å; Y367-L377 HydrophobicContact CD1-CD1 3.99Å; Y367-L377 HydrophobicContact CE1-CD1 3.54Å; L377-L379 HydrophobicContact CD1-CD2 4.27Å; L377-L379 HydrophobicContact CD2-CD1 3.51Å; L377-L379 HydrophobicContact CD2-CD2 3.52Å; L377-L379 HydrophobicContact CD2-CG 3.42Å; L377-L379 VanDerWaalsContact CD2-CG 3.42Å; L377-L379 HydrophobicContact CG-CD1 4.33Å; L377-L379 HydrophobicContact CG-CD2 3.71Å; L377-L379 HydrophobicContact CG-CG 3.7Å; L377-F530 PolarHBondContact N-O 3.19Å; L377-F530 PolarHBondContact O-N 3.44Å; L377-I532 HydrophobicContact CB-CD1 4.21Å; L377-I532 HydrophobicContact CD2-CD1 4.2Å
378D87.6Confident85.6Confident112 Ų11278.4 Ų78.460%0.59940%0.399SS*.EExtended strand (participates in β ladder)trans-91.3115.4171.4-67.5-28000108.2V527 N529D378-V527 HydrophobicContact CB-CG1 4.41Å; D378-N529 WeakPolarHBondContact OD1-CB 3.24Å; D378-N529 PolarHBondContact OD1-ND2 2.68Å
379L88.5Confident84.7Confident11 Ų1180.1 Ų80.16%0.05842%0.42CS..EExtended strand (participates in β ladder)trans-118.9135.3-179-70.9-174.3000111.3F342 T343 L364 L377 V381 V527 E528 F530F342-L379 HydrophobicContact CD1-CD1 4.2Å; F342-L379 HydrophobicContact CE1-CD1 3.81Å; T343-L379 HydrophobicContact CG2-CD1 4.45Å; L364-L379 HydrophobicContact CD1-CD2 4.16Å; L364-L379 HydrophobicContact CD2-CD1 3.91Å; L364-L379 HydrophobicContact CD2-CD2 4.13Å; L377-L379 HydrophobicContact CD1-CD2 4.27Å; L377-L379 HydrophobicContact CD2-CD1 3.51Å; L377-L379 HydrophobicContact CD2-CD2 3.52Å; L377-L379 HydrophobicContact CD2-CG 3.42Å; L377-L379 VanDerWaalsContact CD2-CG 3.42Å; L377-L379 HydrophobicContact CG-CD1 4.33Å; L377-L379 HydrophobicContact CG-CD2 3.71Å; L377-L379 HydrophobicContact CG-CG 3.7Å; L379-V381 PolarHBondContact O-N 3.49Å; L379-V527 WeakPolarHBondContact O-CA 3.34Å; L379-E528 PolarHBondContact N-O 2.98Å; L379-E528 PolarHBondContact O-N 2.99Å; L379-F530 HydrophobicContact CB-CD2 3.99Å; L379-F530 HydrophobicContact CB-CE2 4.02Å; L379-F530 HydrophobicContact CD1-CD2 4.13Å; L379-F530 HydrophobicContact CD1-CE2 4.45Å; L379-F530 HydrophobicContact CG-CD2 4.25Å
380E86.4Confident83.6Confident76 Ų7686.8 Ų86.836%0.35545%0.448SS..EExtended strand (participates in β ladder)trans-72.7121.5160.7-163.6-172.7162.800108.6R339 R382 S525R339-E380 PolarHBondContact NH2-O 2.96Å; E380-R382 HydrophobicContact CG-CG 4.39Å; E380-R382 IonicContact OE1-CZ 3.99Å; E380-R382 IonicContact OE1-NE 3.43Å; E380-R382 PolarHBondContact OE1-NE 3.14Å; E380-R382 IonicContact OE1-NH2 3.22Å; E380-R382 PolarHBondContact OE1-NH2 2.82Å; E380-R382 IonicContact OE2-CZ 3.38Å; E380-R382 IonicContact OE2-NE 3.78Å; E380-R382 IonicContact OE2-NH2 3.96Å; E380-R382 PolarHBondContact OE2-NH2 3.02Å; E380-S525 WeakPolarHBondContact OE1-CB 3.44Å
381V85.7Confident82.6Confident31 Ų3187.4 Ų87.419%0.18845%0.448CS..EExtended strand (participates in β ladder)trans-106.1118.9173.5-176.80000107.2T343 L379 S525 S526 E528 F530T343-V381 HydrophobicContact CG2-CG2 4.36Å; L379-V381 PolarHBondContact O-N 3.49Å; V381-S525 WeakPolarHBondContact O-CA 3.44Å; V381-S526 PolarHBondContact N-O 3.19Å; V381-S526 PolarHBondContact O-N 3.31Å; V381-E528 HydrophobicContact CG2-CB 4.3Å; V381-E528 HydrophobicContact CG2-CG 4.45Å; V381-F530 HydrophobicContact CG2-CE2 3.76Å; V381-F530 HydrophobicContact CG2-CZ 3.89Å
382R86Confident81.7Confident105 Ų10586.1 Ų86.140%0.39644%0.441SS..EExtended strand (participates in β ladder)trans-105.2131.5176.4-61.7-175-178.7150.412.9109S108 E109 E380 V524S108-R382 WeakPolarHBondContact O-CB 3.3Å; E109-R382 IonicContact OE2-CZ 2.72Å; E109-R382 IonicContact OE2-NH1 3.41Å; E109-R382 PolarHBondContact OE2-NH1 3.03Å; E380-R382 HydrophobicContact CG-CG 4.39Å; E380-R382 IonicContact OE1-CZ 3.99Å; E380-R382 IonicContact OE1-NE 3.43Å; E380-R382 PolarHBondContact OE1-NE 3.14Å; E380-R382 IonicContact OE1-NH2 3.22Å; E380-R382 PolarHBondContact OE1-NH2 2.82Å; E380-R382 IonicContact OE2-CZ 3.38Å; E380-R382 IonicContact OE2-NE 3.78Å; E380-R382 IonicContact OE2-NH2 3.96Å; E380-R382 PolarHBondContact OE2-NH2 3.02Å; R382-V524 WeakPolarHBondContact CA-O 3.49Å
383K80.9Confident81Confident139 Ų13985.2 Ų85.260%0.60443%0.429SS*.EExtended strand (participates in β ladder)trans-141.1133.2179.2-171.1174.2-177.71770111V385 V524K383-V385 HydrophobicContact CD-CG2 4.5Å; K383-V385 HydrophobicContact CG-CG2 4.26Å; K383-V524 PolarHBondContact N-O 3.29Å; K383-V524 PolarHBondContact O-N 3.38Å
384R82.3Confident80.7Confident68 Ų6887.2 Ų87.226%0.25742%0.421SS..EExtended strand (participates in β ladder)trans-82.5122.9169.2-173.2173.4-74.7-105.74.6109.9N106 N107 E109 T521 K522N106-R384 PolarHBondContact O-NE 3.14Å; N106-R384 PolarHBondContact O-NH2 3.06Å; N106-R384 PolarHBondContact OD1-NH2 2.73Å; N106-R384 VanDerWaalsContact OD1-NH2 3.15Å; N107-R384 WeakPolarHBondContact O-CB 3.44Å; E109-R384 PolarHBondContact O-NH2 3.45Å; R384-T521 WeakPolarHBondContact CD-OG1 3.21Å; R384-T521 VanDerWaalsContact CG-CB 3.49Å; R384-T521 HydrophobicContact CG-CG2 4.07Å; R384-T521 WeakPolarHBondContact CG-OG1 3.35Å; R384-T521 PolarHBondContact NH1-OG1 2.77Å; R384-K522 WeakPolarHBondContact CA-O 3.37Å
385V82.4Confident80.3Confident69 Ų6987.8 Ų87.842%0.41842%0.42SS..EExtended strand (participates in β ladder)trans-119.8143.4-178.5-174.60000108.9K383 T521 K522K383-V385 HydrophobicContact CD-CG2 4.5Å; K383-V385 HydrophobicContact CG-CG2 4.26Å; V385-T521 CarbonylContact O-C 3.53Å; V385-T521 VanDerWaalsContact O-CA 3.27Å; V385-T521 WeakPolarHBondContact O-CA 3.14Å; V385-T521 WeakPolarHBondContact O-CB 3.23Å; V385-K522 PolarHBondContact N-O 3.2Å; V385-K522 PolarHBondContact O-N 3.2Å
386K81.1Confident79.9Confident132 Ų13285.4 Ų85.457%0.57441%0.413SS*.EExtended strand (participates in β ladder)trans-65.9139.1175.9-66.1-179.7179-176.60110V519 T521K386-V519 HydrophobicContact CB-CG1 4.03Å; K386-V519 HydrophobicContact CD-CB 4.33Å; K386-V519 HydrophobicContact CD-CG1 4.11Å; K386-V519 HydrophobicContact CG-CB 4.48Å; K386-V519 HydrophobicContact CG-CG1 4.13Å; K386-T521 HydrophobicContact CG-CG2 4.38Å
387L76.6Confident79.3Confident20 Ų2086.6 Ų86.611%0.10542%0.418CS..  trans-71.3131.4173.6-70178.8000109.2E391 L392 Y395 P520 K522L387-E391 HydrophobicContact CD2-CB 4.05Å; L387-E391 WeakPolarHBondContact CD2-OE2 3.35Å; L387-L392 HydrophobicContact CB-CB 4.29Å; L387-L392 HydrophobicContact CB-CD1 4.44Å; L387-Y395 HydrophobicContact CD1-CD2 4.29Å; L387-Y395 HydrophobicContact CD1-CG 4.29Å; L387-P520 HydrophobicContact CB-CB 4.28Å; L387-P520 WeakPolarHBondContact CB-O 3.49Å; L387-P520 HydrophobicContact CD1-CB 3.67Å; L387-P520 HydrophobicContact CG-CB 4.29Å; L387-P520 PolarHBondContact N-O 3.33Å; L387-K522 HydrophobicContact CD2-CB 3.69Å; L387-K522 HydrophobicContact CD2-CD 4.33Å; L387-K522 HydrophobicContact CG-CB 4.39Å
388E73.8Confident78.7Confident158 Ų15892.1 Ų92.174%0.73844%0.441SS*.  trans-128.6145.3-179.4-66.5-176.2178.700110.9
389G74.9Confident78.3Confident48 Ų4889.8 Ų89.850%0.49543%0.427SS..THydrogen-bonded Turntrans67.8-133.3175.500000114E391 L392 D393G389-E391 VanDerWaalsContact C-N 3.3Å; G389-E391 PolarHBondContact O-N 3.17Å; G389-L392 WeakPolarHBondContact O-CB 3Å; G389-L392 PolarHBondContact O-N 3.34Å; G389-L392 VanDerWaalsContact O-N 3.11Å; G389-D393 PolarHBondContact O-N 3.24Å
390K70.9Confident77.8Confident170 Ų17095.6 Ų95.674%0.73945%0.451SS*.Hα-helixtrans-62.1-32.3-172.5-65.8-176.2178.2-177.40114L392 D393 E394K390-L392 VanDerWaalsContact C-N 3.28Å; K390-L392 PolarHBondContact O-N 2.77Å; K390-D393 PolarHBondContact O-N 2.72Å; K390-E394 WeakPolarHBondContact O-CG 3.19Å; K390-E394 PolarHBondContact O-N 2.83Å
391E72.6Confident77.5Confident100 Ų10097.2 Ų97.247%0.46746%0.461SS..Hα-helixtrans-68.1-31.5178.3-61.4-170.416100111.7L387 G389 Y395L387-E391 HydrophobicContact CD2-CB 4.05Å; L387-E391 WeakPolarHBondContact CD2-OE2 3.35Å; G389-E391 VanDerWaalsContact C-N 3.3Å; G389-E391 PolarHBondContact O-N 3.17Å; E391-Y395 WeakPolarHBondContact O-CB 3.27Å; E391-Y395 PolarHBondContact O-N 2.92Å; E391-Y395 VanDerWaalsContact O-N 3.12Å
392L73.5Confident77.2Confident43 Ų43102.9 Ų102.923%0.22548%0.483CS..Hα-helixtrans-70.9-43.9174.917961.5000111L387 G389 K390 Y395 L396 P520L387-L392 HydrophobicContact CB-CB 4.29Å; L387-L392 HydrophobicContact CB-CD1 4.44Å; G389-L392 WeakPolarHBondContact O-CB 3Å; G389-L392 PolarHBondContact O-N 3.34Å; G389-L392 VanDerWaalsContact O-N 3.11Å; K390-L392 VanDerWaalsContact C-N 3.28Å; K390-L392 PolarHBondContact O-N 2.77Å; L392-Y395 PolarHBondContact O-N 2.75Å; L392-L396 HydrophobicContact CD1-CD1 4.28Å; L392-L396 HydrophobicContact CD1-CG 4.31Å; L392-L396 HydrophobicContact CG-CD1 4.1Å; L392-L396 VanDerWaalsContact O-CG 3.31Å; L392-L396 WeakPolarHBondContact O-CG 3.16Å; L392-L396 PolarHBondContact O-N 3.02Å; L392-P520 HydrophobicContact CD1-CB 4.05Å; L392-P520 VanDerWaalsContact CD1-CD 3.47Å; L392-P520 HydrophobicContact CD1-CG 3.51Å
393D70Confident76.7Confident94 Ų94104.1 Ų104.150%0.50349%0.492SS..Hα-helixtrans-60.9-46.3177.8-64.1-29.3000111.2G389 K390 Y395 L396 E397G389-D393 PolarHBondContact O-N 3.24Å; K390-D393 PolarHBondContact O-N 2.72Å; D393-Y395 VanDerWaalsContact C-N 3.33Å; D393-Y395 PolarHBondContact O-N 3.43Å; D393-L396 PolarHBondContact O-N 2.87Å; D393-E397 WeakPolarHBondContact O-CG 3.42Å; D393-E397 PolarHBondContact O-N 3.31Å
394E76.4Confident76.7Confident109 Ų109102 Ų10251%0.50948%0.484SS..Hα-helixtrans-63.5-36.4176.2-73.5-179.9-163.800112.8K390 K398K390-E394 WeakPolarHBondContact O-CG 3.19Å; K390-E394 PolarHBondContact O-N 2.83Å; E394-K398 WeakPolarHBondContact O-CG 3.32Å; E394-K398 PolarHBondContact O-N 3.44Å; E394-K398 VanDerWaalsContact O-N 3.08Å
395Y74.6Confident76.5Confident98 Ų98101.3 Ų101.338%0.38449%0.492SS..Hα-helixtrans-66.3-46.6175.2179.1-86.7000111.1L387 E391 L392 D393 E397 K398 E399 P520L387-Y395 HydrophobicContact CD1-CD2 4.29Å; L387-Y395 HydrophobicContact CD1-CG 4.29Å; E391-Y395 WeakPolarHBondContact O-CB 3.27Å; E391-Y395 PolarHBondContact O-N 2.92Å; E391-Y395 VanDerWaalsContact O-N 3.12Å; L392-Y395 PolarHBondContact O-N 2.75Å; D393-Y395 VanDerWaalsContact C-N 3.33Å; D393-Y395 PolarHBondContact O-N 3.43Å; Y395-E397 VanDerWaalsContact C-N 3.32Å; Y395-E397 PolarHBondContact O-N 2.91Å; Y395-K398 PolarHBondContact O-N 2.98Å; Y395-E399 HydrophobicContact CD1-CG 4.26Å; Y395-E399 HydrophobicContact CE1-CG 3.66Å; Y395-E399 WeakPolarHBondContact O-CB 3.4Å; Y395-E399 PolarHBondContact O-N 3.23Å; Y395-P520 HydrophobicContact CD1-CB 3.47Å; Y395-P520 VanDerWaalsContact CD1-CB 3.47Å; Y395-P520 HydrophobicContact CD1-CG 3.23Å; Y395-P520 HydrophobicContact CD2-CB 4.29Å; Y395-P520 HydrophobicContact CE1-CB 3.55Å; Y395-P520 HydrophobicContact CE1-CG 3.29Å; Y395-P520 HydrophobicContact CE2-CB 4.35Å; Y395-P520 HydrophobicContact CG-CB 3.86Å; Y395-P520 HydrophobicContact CG-CG 4.09Å
396L75.1Confident76.4Confident89 Ų89101.9 Ų101.947%0.46650%0.496SS..Hα-helixtrans-62.9-37.9178.7-70.9171.9000112L392 D393 E399 K400L392-L396 HydrophobicContact CD1-CD1 4.28Å; L392-L396 HydrophobicContact CD1-CG 4.31Å; L392-L396 HydrophobicContact CG-CD1 4.1Å; L392-L396 VanDerWaalsContact O-CG 3.31Å; L392-L396 WeakPolarHBondContact O-CG 3.16Å; L392-L396 PolarHBondContact O-N 3.02Å; D393-L396 PolarHBondContact O-N 2.87Å; L396-E399 PolarHBondContact O-N 3.39Å; L396-K400 WeakPolarHBondContact O-CB 3.49Å; L396-K400 PolarHBondContact O-N 3.03Å
397E76.4Confident76.3Confident130 Ų130101.9 Ų101.961%0.60750%0.496SS*.Hα-helixtrans-63.8-44.7172.7-76.5-177.5173.900112D393 Y395 K400 I401D393-E397 WeakPolarHBondContact O-CG 3.42Å; D393-E397 PolarHBondContact O-N 3.31Å; Y395-E397 VanDerWaalsContact C-N 3.32Å; Y395-E397 PolarHBondContact O-N 2.91Å; E397-K400 PolarHBondContact O-N 3.46Å; E397-I401 VanDerWaalsContact O-CG1 3.27Å; E397-I401 WeakPolarHBondContact O-CG1 3.32Å; E397-I401 PolarHBondContact O-N 3.45Å
398K77.2Confident76.4Confident133 Ų133107.7 Ų107.758%0.57852%0.52SS*.Hα-helixtrans-64.3-39.9175.7-76.8173.7-178.9166.40112.7E394 Y395 I401 K402E394-K398 WeakPolarHBondContact O-CG 3.32Å; E394-K398 PolarHBondContact O-N 3.44Å; E394-K398 VanDerWaalsContact O-N 3.08Å; Y395-K398 PolarHBondContact O-N 2.98Å; K398-I401 PolarHBondContact O-N 3.39Å; K398-K402 WeakPolarHBondContact O-CB 3.47Å; K398-K402 PolarHBondContact O-N 3.23Å
399E78.1Confident76.3Confident62 Ų62106.7 Ų106.729%0.2952%0.518SS..Hα-helixtrans-60.4-45.4173.6-110.4-92.4124.800111Y395 L396 I401 K402 K403Y395-E399 HydrophobicContact CD1-CG 4.26Å; Y395-E399 HydrophobicContact CE1-CG 3.66Å; Y395-E399 WeakPolarHBondContact O-CB 3.4Å; Y395-E399 PolarHBondContact O-N 3.23Å; L396-E399 PolarHBondContact O-N 3.39Å; E399-I401 PolarHBondContact O-N 3.47Å; E399-K402 PolarHBondContact O-N 2.72Å; E399-K403 WeakPolarHBondContact O-CB 3.49Å; E399-K403 PolarHBondContact O-N 3.4Å; E399-K403 VanDerWaalsContact OE2-CE 3.29Å; E399-K403 WeakPolarHBondContact OE2-CE 3.48Å; E399-K403 IonicContact OE2-NZ 3.92Å; E399-K403 PolarHBondContact OE2-NZ 3.13Å
400K77.9Confident76.2Confident133 Ų133110 Ų11058%0.57852%0.52SS*.Hα-helixtrans-62.1-43.7176.8-169.1177.9179.9-177.30111.5L396 E397 K403 E404L396-K400 WeakPolarHBondContact O-CB 3.49Å; L396-K400 PolarHBondContact O-N 3.03Å; E397-K400 PolarHBondContact O-N 3.46Å; K400-K403 PolarHBondContact O-N 3.31Å; K400-E404 WeakPolarHBondContact CE-OE1 3.26Å; K400-E404 WeakPolarHBondContact O-CB 3.31Å; K400-E404 VanDerWaalsContact O-CG 3.3Å; K400-E404 WeakPolarHBondContact O-CG 3.49Å; K400-E404 PolarHBondContact O-N 3.16Å
401I81.1Confident76.2Confident110 Ų110106.8 Ų106.856%0.56451%0.508SS*.Hα-helixtrans-63-42.4174.9-66.6163.8000111.1E397 K398 E399 E404 A405E397-I401 VanDerWaalsContact O-CG1 3.27Å; E397-I401 WeakPolarHBondContact O-CG1 3.32Å; E397-I401 PolarHBondContact O-N 3.45Å; K398-I401 PolarHBondContact O-N 3.39Å; E399-I401 PolarHBondContact O-N 3.47Å; I401-E404 PolarHBondContact O-N 2.75Å; I401-A405 WeakPolarHBondContact O-CB 3.4Å; I401-A405 PolarHBondContact O-N 3.41Å
402K78.7Confident76.2Confident150 Ų150104.6 Ų104.665%0.65251%0.507SS*.Hα-helixtrans-62.8-46.3175.9-82.7-174.7176.2-176.10111.9K398 E399 A405 V406K398-K402 WeakPolarHBondContact O-CB 3.47Å; K398-K402 PolarHBondContact O-N 3.23Å; E399-K402 PolarHBondContact O-N 2.72Å; K402-A405 WeakPolarHBondContact O-CB 3.49Å; K402-A405 PolarHBondContact O-N 2.85Å; K402-A405 VanDerWaalsContact O-N 3.16Å; K402-V406 WeakPolarHBondContact O-CG2 3.5Å; K402-V406 PolarHBondContact O-N 3.29Å
403K76.1Confident75.8Confident131 Ų131110 Ų11057%0.5753%0.528SS*.Hα-helixtrans-61.9-42.1176.4-79.3172.6170.4158.40111.8E399 K400 A405 V406 K407E399-K403 WeakPolarHBondContact O-CB 3.49Å; E399-K403 PolarHBondContact O-N 3.4Å; E399-K403 VanDerWaalsContact OE2-CE 3.29Å; E399-K403 WeakPolarHBondContact OE2-CE 3.48Å; E399-K403 IonicContact OE2-NZ 3.92Å; E399-K403 PolarHBondContact OE2-NZ 3.13Å; K400-K403 PolarHBondContact O-N 3.31Å; K403-A405 VanDerWaalsContact C-N 3.32Å; K403-A405 PolarHBondContact O-N 3.09Å; K403-V406 PolarHBondContact O-N 3.44Å; K403-K407 VanDerWaalsContact O-CB 3.3Å; K403-K407 WeakPolarHBondContact O-CB 3.42Å; K403-K407 PolarHBondContact O-N 3.44Å
404E80.1Confident75.2Confident96 Ų96112.3 Ų112.345%0.44954%0.536SS..Hα-helixtrans-64.5-35.9173.7-74.7177.2-168.600112.2K400 I401 K408K400-E404 WeakPolarHBondContact CE-OE1 3.26Å; K400-E404 WeakPolarHBondContact O-CB 3.31Å; K400-E404 VanDerWaalsContact O-CG 3.3Å; K400-E404 WeakPolarHBondContact O-CG 3.49Å; K400-E404 PolarHBondContact O-N 3.16Å; I401-E404 PolarHBondContact O-N 2.75Å; E404-K408 WeakPolarHBondContact O-CB 3.15Å; E404-K408 VanDerWaalsContact O-CG 3.28Å; E404-K408 WeakPolarHBondContact O-CG 3.48Å; E404-K408 PolarHBondContact O-N 3.26Å
405A78.5Confident74.2Confident52 Ų52112.1 Ų112.143%0.4354%0.542SS..Hα-helixtrans-70.1-44.7175.900000112.5I401 K402 K403 K408 M409I401-A405 WeakPolarHBondContact O-CB 3.4Å; I401-A405 PolarHBondContact O-N 3.41Å; K402-A405 WeakPolarHBondContact O-CB 3.49Å; K402-A405 PolarHBondContact O-N 2.85Å; K402-A405 VanDerWaalsContact O-N 3.16Å; K403-A405 VanDerWaalsContact C-N 3.32Å; K403-A405 PolarHBondContact O-N 3.09Å; A405-K408 PolarHBondContact O-N 2.9Å; A405-M409 WeakPolarHBondContact O-CB 3.35Å; A405-M409 PolarHBondContact O-N 3.35Å
406V80.9Confident73.1Confident81 Ų81113.7 Ų113.749%0.49156%0.557SS.*Hα-helixtrans-60.4-47175.1172.10000110.1K402 K403 K408 M409 E410K402-V406 WeakPolarHBondContact O-CG2 3.5Å; K402-V406 PolarHBondContact O-N 3.29Å; K403-V406 PolarHBondContact O-N 3.44Å; V406-K408 VanDerWaalsContact C-N 3.32Å; V406-K408 PolarHBondContact O-N 2.93Å; V406-M409 CarbonylContact O-C 3.53Å; V406-M409 WeakPolarHBondContact O-CA 3.41Å; V406-M409 WeakPolarHBondContact O-CB 3.22Å; V406-M409 PolarHBondContact O-N 3.22Å; V406-E410 HydrophobicContact CG1-CG 4.44Å; V406-E410 PolarHBondContact O-N 2.94Å
407K78.4Confident71.8Confident133 Ų133114.6 Ų114.658%0.57857%0.566SS**Hα-helixtrans-60.9-38.7177-168.6173-175.7173.70112.6K403 M409 Q411K403-K407 VanDerWaalsContact O-CB 3.3Å; K403-K407 WeakPolarHBondContact O-CB 3.42Å; K403-K407 PolarHBondContact O-N 3.44Å; K407-M409 VanDerWaalsContact C-N 3.34Å; K407-Q411 WeakPolarHBondContact O-CB 3.22Å; K407-Q411 WeakPolarHBondContact O-CG 3.45Å; K407-Q411 PolarHBondContact O-N 2.96Å
408K78.5Confident70.3Confident141 Ų141115.4 Ų115.461%0.61358%0.575SS**Hα-helixtrans-67.2-34.2172.8-78.8176.1-179.21760112.6E404 A405 V406 A412E404-K408 WeakPolarHBondContact O-CB 3.15Å; E404-K408 VanDerWaalsContact O-CG 3.28Å; E404-K408 WeakPolarHBondContact O-CG 3.48Å; E404-K408 PolarHBondContact O-N 3.26Å; A405-K408 PolarHBondContact O-N 2.9Å; V406-K408 VanDerWaalsContact C-N 3.32Å; V406-K408 PolarHBondContact O-N 2.93Å; K408-A412 WeakPolarHBondContact O-CB 3.27Å; K408-A412 PolarHBondContact O-N 3.15Å
409M71.7Confident68.6Low138 Ų138114 Ų11468%0.6858%0.581SS**Hα-helixtrans-74.6-36179.2-148.2174.7-167.500111.8A405 V406 K407 A412 K413A405-M409 WeakPolarHBondContact O-CB 3.35Å; A405-M409 PolarHBondContact O-N 3.35Å; V406-M409 CarbonylContact O-C 3.53Å; V406-M409 WeakPolarHBondContact O-CA 3.41Å; V406-M409 WeakPolarHBondContact O-CB 3.22Å; V406-M409 PolarHBondContact O-N 3.22Å; K407-M409 VanDerWaalsContact C-N 3.34Å; M409-A412 PolarHBondContact O-N 2.96Å; M409-K413 PolarHBondContact O-N 2.83Å; M409-K413 VanDerWaalsContact O-N 3.08Å
410E72.9Confident67Low116 Ų116115.6 Ų115.654%0.54260%0.6SS.*Hα-helixtrans-65.8-46.3170.3-74.4174.4165.100111.2V406 A412 K413 E414V406-E410 HydrophobicContact CG1-CG 4.44Å; V406-E410 PolarHBondContact O-N 2.94Å; E410-A412 VanDerWaalsContact C-N 3.29Å; E410-A412 PolarHBondContact O-N 2.88Å; E410-K413 WeakPolarHBondContact O-CB 3.3Å; E410-K413 PolarHBondContact O-N 3.17Å; E410-K413 VanDerWaalsContact O-N 3.1Å; E410-E414 PolarHBondContact O-N 3.45Å
411Q71.6Confident65.2Low103 Ų103116 Ų11648%0.48161%0.608SS.*Hα-helixtrans-61.5-35.8174.6-74.9175.3-8.700112.6K407 E414 V415K407-Q411 WeakPolarHBondContact O-CB 3.22Å; K407-Q411 WeakPolarHBondContact O-CG 3.45Å; K407-Q411 PolarHBondContact O-N 2.96Å; Q411-E414 PolarHBondContact O-N 2.92Å; Q411-V415 VanDerWaalsContact O-CG2 3.27Å; Q411-V415 WeakPolarHBondContact O-CG2 3.24Å; Q411-V415 PolarHBondContact O-N 3.23Å
412A72.3Confident63Low55 Ų55119.7 Ų119.746%0.45562%0.623SS.*Hα-helixtrans-69.4-34.1174.700000112.6K408 M409 E410 D416K408-A412 WeakPolarHBondContact O-CB 3.27Å; K408-A412 PolarHBondContact O-N 3.15Å; M409-A412 PolarHBondContact O-N 2.96Å; E410-A412 VanDerWaalsContact C-N 3.29Å; E410-A412 PolarHBondContact O-N 2.88Å; A412-D416 PolarHBondContact O-N 3.39Å
413K65.9Low60.9Low155 Ų155117.5 Ų117.567%0.67463%0.627SS**Hα-helixtrans-69.7-34.7174-83.3-177.2174-177.50112.7M409 E410 V417M409-K413 PolarHBondContact O-N 2.83Å; M409-K413 VanDerWaalsContact O-N 3.08Å; E410-K413 WeakPolarHBondContact O-CB 3.3Å; E410-K413 PolarHBondContact O-N 3.17Å; E410-K413 VanDerWaalsContact O-N 3.1Å; K413-V417 WeakPolarHBondContact O-CG2 3.49Å
414E56.7Low58.9Low144 Ų144117.5 Ų117.567%0.67363%0.633SS**Hα-helixtrans-68-37.2174.9-74.2-178.3161.300111.9E410 Q411 V417 D418E410-E414 PolarHBondContact O-N 3.45Å; Q411-E414 PolarHBondContact O-N 2.92Å; E414-V417 PolarHBondContact O-N 2.88Å; E414-D418 PolarHBondContact O-N 3.34Å
415V55.7Low56.6Low104 Ų104120.5 Ų120.563%0.6365%0.649SS**Hα-helixtrans-72.1-28.3179.2176.40000113Q411Q411-V415 VanDerWaalsContact O-CG2 3.27Å; Q411-V415 WeakPolarHBondContact O-CG2 3.24Å; Q411-V415 PolarHBondContact O-N 3.23Å
416D50.6Low54.4Low132 Ų132126.7 Ų126.771%0.70667%0.669SS**Hα-helixtrans-75.7-21.8176-99.4-12.5000113.3A412A412-D416 PolarHBondContact O-N 3.39Å
417V48.8Very low52Low108 Ų108129.6 Ų129.666%0.65568%0.682SS**Hα-helixtrans-80.3-34.8176.2177.10000111K413 E414 S419 S420K413-V417 WeakPolarHBondContact O-CG2 3.49Å; E414-V417 PolarHBondContact O-N 2.88Å; V417-S419 VanDerWaalsContact C-N 3.29Å; V417-S419 PolarHBondContact O-N 3.38Å; V417-S420 PolarHBondContact O-OG 2.94Å
418D45.4Very low49.7Very low146 Ų146129.4 Ų129.478%0.78169%0.687SS**THydrogen-bonded Turntrans-79.6-6.3-177.7-13116.9000113.9E414E414-D418 PolarHBondContact O-N 3.34Å
419S41.5Very low47.6Very low103 Ų103129.2 Ų129.272%0.7269%0.692SS**THydrogen-bonded Turntrans-91.31.2179.4-1750000114V417V417-S419 VanDerWaalsContact C-N 3.29Å; V417-S419 PolarHBondContact O-N 3.38Å
420S43.8Very low45.6Very low96 Ų96129.6 Ų129.667%0.67170%0.697SS**SBendtrans-113.53.2-171.766.30000116.4V417V417-S420 PolarHBondContact O-OG 2.94Å
421D40.6Very low43.6Very low142 Ų142132.6 Ų132.676%0.75971%0.711SS**  trans-148.967.9-174.4-142.513.2000113.2
422E34.8Very low42Very low187 Ų187133.3 Ų133.387%0.87473%0.725SS**  trans-150.188162.5-84.5-59.316000109.9
423S34.8Very low40.2Very low104 Ų104135.4 Ų135.473%0.72774%0.742SS**  trans-135.8112.4153.2610000109.1
424D33.8Very low38.3Very low132 Ų132132.8 Ų132.871%0.70675%0.749SS**  trans129.6111.9143-75.9-8.2000116.7
425M31Very low37.4Very low158 Ų158131.9 Ų131.978%0.77875%0.753SS**  trans89.8104.7147.7-59.1-178.8-154.200117.6
426E32.8Very low36.2Very low183 Ų183136 Ų13686%0.85576%0.763SS**  60128.480.3-70.8-170.6-176.800112.1
427D31.3Very low35.3Very low141 Ų141135.5 Ų135.575%0.75476%0.764SS**  cis-168.2175.95.5-148.6-11.2000108.8
428D30.2Very low34.6Very low129 Ų129140 Ų14069%0.6978%0.775SS**  trans98.585.8162.9-76.3-13.5000121.4
429L34.5Very low34.3Very low137 Ų137141 Ų14172%0.71778%0.775SS**  47.9127.2116.6-66.9158.9000117.6
430D29.8Very low34Very low147 Ų147143.2 Ų143.279%0.78677%0.773SS**  cis-178.1153.839.3-127.2-22.3000109.8
431Q29.8Very low33.7Very low178 Ų178145.9 Ų145.983%0.83278%0.78SS**  trans-73.8-176.5-173.8-71.8178.510.700114.8
432P37.7Very low33.7Very low119 Ų119147.2 Ų147.277%0.77379%0.786SS**  cis-137.4171.75.327.6-2.2000117.7
433A34.2Very low33.8Very low99 Ų99147.1 Ų147.182%0.81879%0.788SS**  trans-53.5147.4171.100000116.2
434A27.4Very low33.9Very low99 Ų99151 Ų15182%0.81880%0.797SS**  trans-162.1107.8143.100000112.7
435V36.7Very low33.9Very low126 Ų126154.4 Ų154.476%0.76481%0.805SS**  trans-2.4133.4141.2-177.80000116.6
436K31.2Very low34.1Very low191 Ų191150.8 Ų150.883%0.8381%0.809SS**  trans-161.797.3143.9-108.2160.6-170-1790113.9
437T30.6Very low34Very low121 Ų121151.8 Ų151.874%0.74281%0.813SS**  27.9110.8127.453.20000118.2
438K35.6Very low34.1Very low201 Ų201148.5 Ų148.587%0.87481%0.813SS**  trans-66.9127.5154.5-76.1178.9175.1177.40109.5
439H37.9Very low34.2Very low169 Ų169148.2 Ų148.278%0.78282%0.821SS**  trans-162.8116.2139.5-114.4-88.5000110.9
440H36.4Very low34.3Very low148 Ų148153.3 Ų153.369%0.68583%0.831SS**  trans50.6131.1138.5-68.6-96.4000123.1
441D37Very low34.5Very low152 Ų152156.4 Ų156.481%0.81384%0.837SS**  trans43.1110.6152.1-67-11000119.6
442L40.3Very low34.8Very low170 Ų170151.5 Ų151.589%0.8983%0.834SS**  trans-122.5105.6159.4-99.7123.4000110.8
443M37.7Very low34.5Very low185 Ų185151.6 Ų151.691%0.91184%0.837SS**PPolyproline II helixtrans-71.9132.8158.7-67.4-144.1-71.600109.9
444M36.4Very low35.1Very low185 Ų185156.1 Ų156.191%0.91184%0.839SS**PPolyproline II helixtrans-101.4126.1167.3-91.3-115.6-146.300111.6
445K34.3Very low35.4Very low204 Ų204161.2 Ų161.289%0.88784%0.843SS**PPolyproline II helixtrans-67.9133.9166.3-78.7174.4172.9172.60109.5
446G34.6Very low35.9Very low82 Ų82164.9 Ų164.985%0.84585%0.849SS**PPolyproline II helixtrans-70132.7176.500000113
447E30.4Very low36Very low204 Ų204164.6 Ų164.695%0.95385%0.851SS**PPolyproline II helixtrans-94.7125.1157.2-77-166.2145.600109.5
448G34Very low36.5Very low73 Ų73164 Ų16475%0.75386%0.858SS**  trans-178.875.4179.700000110.8R450G448-R450 PolarHBondContact O-N 3.39Å
449S32Very low36.5Very low122 Ų122164 Ų16485%0.85386%0.858SS**  trans-50.4118.6168.9177.50000111.2
450R36.3Very low36.6Very low245 Ų245164.3 Ų164.393%0.92586%0.857SS**  trans-162.6136.5148-106.1164.2-165.7-166.64.8111.6G448G448-R450 PolarHBondContact O-N 3.39Å
451K34.9Very low36.5Very low212 Ų212162.8 Ų162.892%0.92286%0.863SS**  trans-64146.5-173.3-66.7172.9174176.80113.1
452G34.4Very low36.5Very low74 Ų74164.1 Ų164.176%0.76386%0.858SS**  trans113.2103.113600000117.8
453S33.2Very low36.3Very low121 Ų121161.5 Ų161.585%0.84685%0.851SS**  trans92.3133.2139-147.40000120.3
454F45.9Very low36.2Very low194 Ų194161.3 Ų161.385%0.85185%0.85SS**  trans-54.5122.3177.8-78.6-116000112.7
455F34.6Very low36.4Very low206 Ų206161.2 Ų161.290%0.90485%0.845SS**  172.5143127.8-109.4-94.8000109.9
456K45.4Very low36.8Very low203 Ų203157.3 Ų157.388%0.88384%0.84SS**  trans-63.8129.4179-74.9177.6174178.40111.7
457Q34.9Very low37.2Very low186 Ų186159 Ų15987%0.86983%0.834SS**  trans-147.4129.3150.2-95.7-179.4-3.800110.3
458A40.4Very low38Very low109 Ų109157.7 Ų157.790%0.90183%0.828SS**  trans-66.9129.5173.800000110.4
459K35.5Very low38.3Very low200 Ų200162.9 Ų162.987%0.8783%0.832SS**  trans-115121.9164.8-77.7-171.8177.1-177.80109.2
460K39.5Very low39.4Very low175 Ų175163.8 Ų163.876%0.76182%0.823SS**  trans-59126.9169-67175.9174.2-1780109.1Y462K460-Y462 HydrophobicContact CB-CE2 4.16Å; K460-Y462 HydrophobicContact CD-CE2 4.31Å
461S35.2Very low40.1Very low116 Ų116163.6 Ų163.681%0.81182%0.822SS**  trans-106.7122.4160.464.10000108.2
462Y37.1Very low41.4Very low181 Ų181158 Ų15871%0.7180%0.801SS**PPolyproline II helixtrans-90.1141167.4-66.6-89.2000108.4K460 M464K460-Y462 HydrophobicContact CB-CE2 4.16Å; K460-Y462 HydrophobicContact CD-CE2 4.31Å; Y462-M464 PolarHBondContact O-N 2.76Å
463P35.5Very low42.7Very low114 Ų114162.5 Ų162.574%0.7480%0.8SS**PPolyproline II helixtrans-69.9116.9174.227.5-30.3000109.4
464M35.5Very low43.9Very low182 Ų182165 Ų16590%0.89779%0.791SS**PPolyproline II helixtrans-88.9124.2158.5-85.8-164.9-67.900107.6Y462Y462-M464 PolarHBondContact O-N 2.76Å
465F40.5Very low45Very low183 Ų183159.9 Ų159.980%0.80377%0.772SS**PPolyproline II helixtrans-68.4128.6169.4-75.5-90.6000109.2V467F465-V467 PolarHBondContact O-N 3.29Å
466P42Very low46.1Very low121 Ų121159.3 Ų159.379%0.78677%0.773SS**  trans-70.9113.6169.915.7-9.3000109
467V43.8Very low46.8Very low118 Ų118160.3 Ų160.372%0.71577%0.772SS**  trans-79.5118.4168.8172.30000107.7F465 E469F465-V467 PolarHBondContact O-N 3.29Å; V467-E469 HydrophobicContact CG1-CG 4.17Å
468H46.3Very low48.4Very low177 Ų177152.4 Ų152.482%0.81974%0.741SS**  trans-93.9115163.7-107.526.2000107.8E470H468-E470 PolarHBondContact O-N 2.86Å
469E41.5Very low49.9Very low182 Ų182152 Ų15285%0.8572%0.721SS**  trans-81.9106.6172.4-70179.9172.400108.9V467V467-E469 HydrophobicContact CG1-CG 4.17Å
470E54.7Low51.2Low140 Ų140146.9 Ų146.965%0.65470%0.702SS**  trans-80.6140.9169-71.2-162.3173.600110.9H468 I472 R482H468-E470 PolarHBondContact O-N 2.86Å; E470-I472 PolarHBondContact O-N 2.73Å; E470-R482 IonicContact OE2-NH2 3.45Å; E470-R482 PolarHBondContact OE2-NH2 3.48Å
471R52.1Low52.3Low241 Ų241144.5 Ų144.591%0.90970%0.696SS**  trans-77.9114.8177.2-70.8-175.3174.2-169.9-2110.3
472I61.7Low53.4Low94 Ų94144.9 Ų144.948%0.48268%0.68SS.*  trans-79.2136.7178.8-54.6169.8000110E470 E479E470-I472 PolarHBondContact O-N 2.73Å; I472-E479 HydrophobicContact CG2-CB 4.22Å; I472-E479 HydrophobicContact CG2-CG 3.89Å
473K62.1Low54.3Low169 Ų169142.7 Ų142.774%0.73568%0.679SS**  trans-98.1138.9173.3-71.1-177.1-178.9176.80110.1I480K473-I480 HydrophobicContact CB-CD1 4.21Å; K473-I480 PolarHBondContact O-N 2.77Å
474W57Low55.3Low175 Ų175144.8 Ų144.866%0.66368%0.679SS**EExtended strand (participates in β ladder)trans-115.4141.2-175.1-68.265.4000109.9G478 E479W474-G478 WeakPolarHBondContact CA-O 3.36Å; W474-E479 HydrophobicContact CD2-CG 3.97Å; W474-E479 HydrophobicContact CE3-CG 4.21Å; W474-E479 HydrophobicContact CH2-CG 3.8Å; W474-E479 HydrophobicContact CZ2-CG 3.53Å; W474-E479 VanDerWaalsContact CZ2-OE1 3.23Å; W474-E479 WeakPolarHBondContact CZ2-OE1 3.4Å; W474-E479 HydrophobicContact CZ3-CG 4.14Å
475D68.8Low56.1Low86 Ų86142 Ų14246%0.4667%0.667SS.*EExtended strand (participates in β ladder)trans-113-176.5166.871.420.5000111.4Y477 G478 I480D475-Y477 PolarHBondContact O-N 3.47Å; D475-Y477 VanDerWaalsContact O-N 3.17Å; D475-Y477 PolarHBondContact OD1-N 2.85Å; D475-G478 PolarHBondContact N-O 2.89Å; D475-G478 PolarHBondContact O-N 3.29Å; D475-G478 PolarHBondContact OD1-N 3.4Å; D475-I480 HydrophobicContact CB-CD1 4.33Å; D475-I480 HydrophobicContact CB-CG1 4.1Å
476E58.9Low56.5Low194 Ų194140.5 Ų140.591%0.90766%0.661SS**THydrogen-bonded Turntrans-66.1-11.7-176.5-68-175.1168.900114.2
477Y59.3Low56.8Low223 Ų223140.3 Ų140.388%0.87565%0.653SS**THydrogen-bonded Turntrans-113.8-3.8178.4-70-85.8000113.7D475D475-Y477 PolarHBondContact O-N 3.47Å; D475-Y477 VanDerWaalsContact O-N 3.17Å; D475-Y477 PolarHBondContact OD1-N 2.85Å
478G68.9Low56.9Low21 Ų21139.3 Ų139.322%0.21665%0.646CS.*EExtended strand (participates in β ladder)trans141.7-153.2169.600000114.5W474 D475W474-G478 WeakPolarHBondContact CA-O 3.36Å; D475-G478 PolarHBondContact N-O 2.89Å; D475-G478 PolarHBondContact O-N 3.29Å; D475-G478 PolarHBondContact OD1-N 3.4Å
479E70.9Confident56.5Low101 Ų101136.5 Ų136.547%0.47264%0.644SS.*EExtended strand (participates in β ladder)trans-68.8130.6172.8-68-173.8158.200109.9I472 W474 I481I472-E479 HydrophobicContact CG2-CB 4.22Å; I472-E479 HydrophobicContact CG2-CG 3.89Å; W474-E479 HydrophobicContact CD2-CG 3.97Å; W474-E479 HydrophobicContact CE3-CG 4.21Å; W474-E479 HydrophobicContact CH2-CG 3.8Å; W474-E479 HydrophobicContact CZ2-CG 3.53Å; W474-E479 VanDerWaalsContact CZ2-OE1 3.23Å; W474-E479 WeakPolarHBondContact CZ2-OE1 3.4Å; W474-E479 HydrophobicContact CZ3-CG 4.14Å; E479-I481 PolarHBondContact O-N 3Å; E479-I481 VanDerWaalsContact O-N 3.09Å
480I63.7Low56.4Low91 Ų91136 Ų13647%0.46764%0.641SS.*  trans-68.5111.5179.5-60.4170.8000108.6K473 D475 R482K473-I480 HydrophobicContact CB-CD1 4.21Å; K473-I480 PolarHBondContact O-N 2.77Å; D475-I480 HydrophobicContact CB-CD1 4.33Å; D475-I480 HydrophobicContact CB-CG1 4.1Å; I480-R482 PolarHBondContact O-N 3.49Å
481I62Low55.7Low125 Ų125137 Ų13764%0.64165%0.651SS**  trans-68.8115.3-178.2-57.8176.4000109.4E479 I483 F486E479-I481 PolarHBondContact O-N 3Å; E479-I481 VanDerWaalsContact O-N 3.09Å; I481-I483 PolarHBondContact O-N 3.49Å; I481-F486 HydrophobicContact CG2-CD2 3.92Å; I481-F486 HydrophobicContact CG2-CE2 3.59Å; I481-F486 HydrophobicContact CG2-CZ 4.42Å
482R59.4Low55.1Low125 Ų125134.3 Ų134.347%0.47265%0.648SS.*  trans-82.5113.3169.3-57.6-169.9-145.8-165.820.3108.7E470 I480 E484 D485 F486E470-R482 IonicContact OE2-NH2 3.45Å; E470-R482 PolarHBondContact OE2-NH2 3.48Å; I480-R482 PolarHBondContact O-N 3.49Å; R482-E484 PolarHBondContact O-N 2.87Å; R482-E484 VanDerWaalsContact O-N 3.1Å; R482-D485 PolarHBondContact O-N 2.83Å; R482-D485 VanDerWaalsContact O-N 3.09Å; R482-F486 WeakPolarHBondContact O-CD2 3.39Å
483I55.6Low53.8Low135 Ų135133.8 Ų133.869%0.69266%0.658SS**G310 helixtrans-58.8-27-177.1-59.5167.2000111.5I481 D485 F486I481-I483 PolarHBondContact O-N 3.49Å; I483-D485 VanDerWaalsContact C-N 3.31Å; I483-D485 PolarHBondContact O-N 2.83Å; I483-F486 PolarHBondContact O-N 3.16Å
484E55.9Low53.2Low158 Ų158130.8 Ų130.874%0.73865%0.654SS**G310 helixtrans-63.4-30.5178.2-55.5174.2-135.200113.5R482 F486R482-E484 PolarHBondContact O-N 2.87Å; R482-E484 VanDerWaalsContact O-N 3.1Å; E484-F486 VanDerWaalsContact C-N 3.27Å; E484-F486 PolarHBondContact O-N 3.18Å
485D53.3Low52.5Low122 Ų122130.9 Ų130.965%0.65266%0.662SS**G310 helixtrans-79.5-10.5-178.8-66.1-28.5000112.8R482 I483R482-D485 PolarHBondContact O-N 2.83Å; R482-D485 VanDerWaalsContact O-N 3.09Å; I483-D485 VanDerWaalsContact C-N 3.31Å; I483-D485 PolarHBondContact O-N 2.83Å
486F49.4Very low51.1Low152 Ų152135 Ų13567%0.66768%0.678SS**G310 helixtrans-110.42.4179.9-63.8-89.3000113.1I481 R482 I483 E484 V488I481-F486 HydrophobicContact CG2-CD2 3.92Å; I481-F486 HydrophobicContact CG2-CE2 3.59Å; I481-F486 HydrophobicContact CG2-CZ 4.42Å; R482-F486 WeakPolarHBondContact O-CD2 3.39Å; I483-F486 PolarHBondContact O-N 3.16Å; E484-F486 VanDerWaalsContact C-N 3.27Å; E484-F486 PolarHBondContact O-N 3.18Å; F486-V488 PolarHBondContact O-N 2.96Å
487L47.1Very low50.1Low118 Ų118132.3 Ų132.362%0.61867%0.666SS**SBendtrans-80.8106.7168.7-89.9143.3000109.1P489L487-P489 WeakPolarHBondContact O-CD 3.43Å
488V46.1Very low49.3Very low96 Ų96129.7 Ų129.758%0.58266%0.659SS**  trans-61.4122.8177.4-1760000109.3F486 E490F486-V488 PolarHBondContact O-N 2.96Å; V488-E490 HydrophobicContact CG1-CB 4.02Å; V488-E490 HydrophobicContact CG1-CG 3.92Å; V488-E490 PolarHBondContact O-N 2.77Å
489P38.8Very low47.8Very low119 Ų119134.9 Ų134.977%0.77368%0.682SS**G310 helixtrans-66.39.4-177.9-22.734000116.5L487 L491L487-P489 WeakPolarHBondContact O-CD 3.43Å; P489-L491 PolarHBondContact O-N 2.89Å
490E38.7Very low46.1Very low170 Ų170138.6 Ų138.679%0.79470%0.696SS**G310 helixtrans-76-3.4-177.1-76.6175.5158.500114.2V488V488-E490 HydrophobicContact CG1-CB 4.02Å; V488-E490 HydrophobicContact CG1-CG 3.92Å; V488-E490 PolarHBondContact O-N 2.77Å
491L39.9Very low44.9Very low163 Ų163141.4 Ų141.485%0.85371%0.711SS**G310 helixtrans-89.76.9175.6-81.4162.5000114.7P489P489-L491 PolarHBondContact O-N 2.89Å
492Q39.5Very low43.7Very low184 Ų184143.6 Ų143.686%0.8672%0.719SS**  trans-136.463.4172.1-67.8-171.9-2.500112.4
493A35.1Very low42.4Very low82 Ų82143 Ų14368%0.67873%0.734SS**  trans-90.6115.8165.600000110.2
494T48.9Very low41.5Very low106 Ų106139.3 Ų139.365%0.6573%0.729SS**  trans-61.7141.4172.940.40000112.1E496 E497T494-E496 PolarHBondContact O-N 3.05Å; T494-E497 PolarHBondContact O-N 2.88Å
495E41.5Very low40.4Very low178 Ų178140.5 Ų140.583%0.83274%0.74SS**THydrogen-bonded Turntrans-55.6-6.9-173.2-67.7-174.6142.800116.5
496E39.1Very low39.5Very low172 Ų172140.4 Ų140.480%0.80474%0.744SS**THydrogen-bonded Turntrans-92.1-13.8-178.6-71.7-173.5150.900115.1T494T494-E496 PolarHBondContact O-N 3.05Å
497E39.5Very low38.6Very low137 Ų137140.9 Ų140.964%0.6475%0.753SS**SBendtrans-90.2-18.9175-72.8-168.5153.400113.7T494 N499 K500T494-E497 PolarHBondContact O-N 2.88Å; E497-N499 VanDerWaalsContact C-N 3.32Å; E497-N499 PolarHBondContact O-N 2.96Å; E497-K500 PolarHBondContact O-N 2.84Å
498K41Very low38.3Very low169 Ų169138.6 Ų138.674%0.73576%0.758SS**Hα-helixtrans-64.3-34.4177.7-125.9178.5179.6-178.80112.8K500K498-K500 VanDerWaalsContact C-N 3.34Å; K498-K500 PolarHBondContact O-N 2.96Å
499N37.9Very low37.6Very low130 Ų130141.8 Ų141.870%0.69577%0.772SS**Hα-helixtrans-80.9-4.6-175.8-75-20.7000115.2E497E497-N499 VanDerWaalsContact C-N 3.32Å; E497-N499 PolarHBondContact O-N 2.96Å
500K36.6Very low37.2Very low178 Ų178145.1 Ų145.177%0.77478%0.777SS**Hα-helixtrans-105.8-17.9178.4-81.3179.7179.7169.30114.4E497 K498E497-K500 PolarHBondContact O-N 2.84Å; K498-K500 VanDerWaalsContact C-N 3.34Å; K498-K500 PolarHBondContact O-N 2.96Å
501L37.2Very low37Very low151 Ų151142.3 Ų142.379%0.79177%0.774SS**Hα-helixtrans-84.2-15.8176.5-93.1118.7000114.2S503L501-S503 PolarHBondContact O-N 3.45Å
502E37.5Very low36.7Very low171 Ų171141.3 Ų141.380%0.79977%0.767SS**THydrogen-bonded Turntrans-80.6-2.9-179.5-77.6-171.8165.200115.7
503S32.3Very low36.6Very low112 Ų112140.1 Ų140.178%0.78377%0.766SS**THydrogen-bonded Turntrans-109.612.1-173.166.70000116.3L501L501-S503 PolarHBondContact O-N 3.45Å
504G36.3Very low36.7Very low58 Ų58143.8 Ų143.860%0.59877%0.769SS**  trans-174103.8170.800000114.3
505L31.8Very low36.2Very low182 Ų182146.5 Ų146.595%0.95378%0.78SS**  trans-165.5117.2137.5-96.8162.6000108.8
506T35Very low36Very low120 Ų120145 Ų14574%0.73678%0.777SS**  trans-85.1143.4170.447.20000110.5
507N30.3Very low36.1Very low162 Ų162141.7 Ų141.787%0.86677%0.773SS**SBendtrans100.7100.9161.1-57.3-21.2000116.9
508G40.7Very low36.8Very low71 Ų71141.5 Ų141.573%0.73278%0.78SS**SBend90.359.5122.300000117.2
509D31.9Very low37.8Very low162 Ų162136 Ų13687%0.86676%0.761SS**  trans-165.6111.2144.4-87.5-34.3000104.8P511D509-P511 VanDerWaalsContact O-CD 3.26Å; D509-P511 WeakPolarHBondContact O-CD 3.31Å
510E30.5Very low39.7Very low190 Ų190130.3 Ų130.389%0.88873%0.731SS**  trans-82.7113.4177-74-175.5174.900108.5
511P34.1Very low41.9Very low111 Ų111124.5 Ų124.572%0.72171%0.71SS**  trans-66.9144.4157.3-0.218.8000107.5D509 D513D509-P511 VanDerWaalsContact O-CD 3.26Å; D509-P511 WeakPolarHBondContact O-CD 3.31Å; P511-D513 PolarHBondContact O-N 2.95Å
512M33.8Very low44.1Very low142 Ų142122.4 Ų122.470%0.770%0.695SS**  trans-45128.7168-78.9-179.167.600109.9Q514M512-Q514 PolarHBondContact O-N 3.22Å
513D37.3Very low46.3Very low158 Ų158116.1 Ų116.185%0.84567%0.669SS**  trans-59.382.1171.3-80.9-38.4000110.4P511P511-D513 PolarHBondContact O-N 2.95Å
514Q38.3Very low48.9Very low160 Ų160114.2 Ų114.275%0.74865%0.653SS**  trans-117.372.2160.4-82.4-174.90.800107.7M512M512-Q514 PolarHBondContact O-N 3.22Å
515D37.7Very low51.4Low163 Ų163115.1 Ų115.187%0.87265%0.65SS**  trans-171.967.3144.3-99-22.2000109.1S517D515-S517 PolarHBondContact O-N 3.4Å
516L37.8Very low54.1Low147 Ų147108.8 Ų108.877%0.7762%0.621SS**  trans-78.7110.3155.9-74.8167.2000106.5V518L516-V518 PolarHBondContact O-N 3.32Å
517S39.7Very low56.8Low102 Ų102108.4 Ų108.471%0.71362%0.618SS**  trans-30.5111.7161.557.60000109.8D515 V519D515-S517 PolarHBondContact O-N 3.4Å; S517-V519 PolarHBondContact O-N 3.18Å
518V55.3Low59.7Low132 Ų132105.1 Ų105.180%0.860%0.598SS**  trans-66.387.1-171.7-176.30000108.4L516 P520L516-V518 PolarHBondContact O-N 3.32Å; V518-P520 VanDerWaalsContact O-CD 3.29Å; V518-P520 WeakPolarHBondContact O-CD 3.4Å
519V62.8Low62.1Low54 Ų54105.6 Ų105.633%0.32758%0.584SS.*  trans-66.1121.2167.8-177.10000105.2K386 S517 T521K386-V519 HydrophobicContact CB-CG1 4.03Å; K386-V519 HydrophobicContact CD-CB 4.33Å; K386-V519 HydrophobicContact CD-CG1 4.11Å; K386-V519 HydrophobicContact CG-CB 4.48Å; K386-V519 HydrophobicContact CG-CG1 4.13Å; S517-V519 PolarHBondContact O-N 3.18Å; V519-T521 WeakPolarHBondContact O-CG2 3.23Å; V519-T521 PolarHBondContact O-N 3.27Å
520P77.6Confident65Low11 Ų1198.4 Ų98.47%0.07155%0.545CS..  trans-55.2138.1179.6-27.738.3000110.7L387 L392 Y395 V518L387-P520 HydrophobicContact CB-CB 4.28Å; L387-P520 WeakPolarHBondContact CB-O 3.49Å; L387-P520 HydrophobicContact CD1-CB 3.67Å; L387-P520 HydrophobicContact CG-CB 4.29Å; L387-P520 PolarHBondContact N-O 3.33Å; L392-P520 HydrophobicContact CD1-CB 4.05Å; L392-P520 VanDerWaalsContact CD1-CD 3.47Å; L392-P520 HydrophobicContact CD1-CG 3.51Å; Y395-P520 HydrophobicContact CD1-CB 3.47Å; Y395-P520 VanDerWaalsContact CD1-CB 3.47Å; Y395-P520 HydrophobicContact CD1-CG 3.23Å; Y395-P520 HydrophobicContact CD2-CB 4.29Å; Y395-P520 HydrophobicContact CE1-CB 3.55Å; Y395-P520 HydrophobicContact CE1-CG 3.29Å; Y395-P520 HydrophobicContact CE2-CB 4.35Å; Y395-P520 HydrophobicContact CG-CB 3.86Å; Y395-P520 HydrophobicContact CG-CG 4.09Å; V518-P520 VanDerWaalsContact O-CD 3.29Å; V518-P520 WeakPolarHBondContact O-CD 3.4Å
521T81.3Confident68Low55 Ų5592.8 Ų92.834%0.33752%0.518SS..EExtended strand (participates in β ladder)trans-127.4154-176.461.60000111.6R384 V385 K386 V519R384-T521 WeakPolarHBondContact CD-OG1 3.21Å; R384-T521 VanDerWaalsContact CG-CB 3.49Å; R384-T521 HydrophobicContact CG-CG2 4.07Å; R384-T521 WeakPolarHBondContact CG-OG1 3.35Å; R384-T521 PolarHBondContact NH1-OG1 2.77Å; V385-T521 CarbonylContact O-C 3.53Å; V385-T521 VanDerWaalsContact O-CA 3.27Å; V385-T521 WeakPolarHBondContact O-CA 3.14Å; V385-T521 WeakPolarHBondContact O-CB 3.23Å; K386-T521 HydrophobicContact CG-CG2 4.38Å; V519-T521 WeakPolarHBondContact O-CG2 3.23Å; V519-T521 PolarHBondContact O-N 3.27Å
522K83.3Confident70.8Confident107 Ų10788.1 Ų88.147%0.46549%0.487SS..EExtended strand (participates in β ladder)trans-128.1145.1173172.9-179175.6-174.90110.5R384 V385 L387R384-K522 WeakPolarHBondContact CA-O 3.37Å; V385-K522 PolarHBondContact N-O 3.2Å; V385-K522 PolarHBondContact O-N 3.2Å; L387-K522 HydrophobicContact CD2-CB 3.69Å; L387-K522 HydrophobicContact CD2-CD 4.33Å; L387-K522 HydrophobicContact CG-CB 4.39Å
523C84.1Confident73.7Confident39 Ų3988 Ų8826%0.26448%0.479SS..EExtended strand (participates in β ladder)trans-88.8132.4173.3-59.70000110.6E109E109-C523 VanDerWaalsContact CA-SG 3.54Å
524V86.4Confident76.5Confident73 Ų7380.9 Ų80.944%0.44244%0.442SS..EExtended strand (participates in β ladder)trans-119.3134.2176.6-176.60000107.9R382 K383R382-V524 WeakPolarHBondContact CA-O 3.49Å; K383-V524 PolarHBondContact N-O 3.29Å; K383-V524 PolarHBondContact O-N 3.38Å
525S88.7Confident79.2Confident76 Ų7677.5 Ų77.553%0.53142%0.423SS..EExtended strand (participates in β ladder)trans-111.2137.3170.859.70000110.9E380 V381E380-S525 WeakPolarHBondContact OE1-CB 3.44Å; V381-S525 WeakPolarHBondContact O-CA 3.44Å
526S89.9Confident82Confident50 Ų5071.7 Ų71.735%0.3539%0.393SS..EExtended strand (participates in β ladder)trans-139.3140.3172.452.20000109.9V381V381-S526 PolarHBondContact N-O 3.19Å; V381-S526 PolarHBondContact O-N 3.31Å
527V91.7Very high84.7Confident112 Ų11266.2 Ų66.268%0.67937%0.365SS*.EExtended strand (participates in β ladder)trans-87.8119.7172.5-177.50000108.1D378 L379D378-V527 HydrophobicContact CB-CG1 4.41Å; L379-V527 WeakPolarHBondContact O-CA 3.34Å
528E91.3Very high87.4Confident92 Ų9263.7 Ų63.743%0.4334%0.341SS..EExtended strand (participates in β ladder)trans-119.6144178.8-67.7-172.3176.800110.2L379 V381 F530L379-E528 PolarHBondContact N-O 2.98Å; L379-E528 PolarHBondContact O-N 2.99Å; V381-E528 HydrophobicContact CG2-CB 4.3Å; V381-E528 HydrophobicContact CG2-CG 4.45Å; E528-F530 HydrophobicContact CB-CD2 4.33Å; E528-F530 HydrophobicContact CB-CE2 3.58Å; E528-F530 HydrophobicContact CB-CZ 3.98Å; E528-F530 WeakPolarHBondContact OE2-CZ 3.28Å
529N91.6Very high89.4Confident82 Ų8257.5 Ų57.544%0.43930%0.303SS..EExtended strand (participates in β ladder)trans-95.5124.8176.1-174.7-62.9000109.7M376 D378M376-N529 WeakPolarHBondContact CE-OD1 3.39Å; D378-N529 WeakPolarHBondContact OD1-CB 3.24Å; D378-N529 PolarHBondContact OD1-ND2 2.68Å
530F91.1Very high90.9Very high10 Ų1055.1 Ų55.14%0.04429%0.288CS..EExtended strand (participates in β ladder)trans-112.4129.2179.6-67.9-89.3000111.4T343 Q347 M376 L377 L379 V381 E528T343-F530 HydrophobicContact CG2-CE1 4.31Å; T343-F530 HydrophobicContact CG2-CE2 4.26Å; T343-F530 HydrophobicContact CG2-CZ 3.91Å; Q347-F530 HydrophobicContact CG-CD1 4.32Å; M376-F530 WeakPolarHBondContact CA-O 3.47Å; L377-F530 PolarHBondContact N-O 3.19Å; L377-F530 PolarHBondContact O-N 3.44Å; L379-F530 HydrophobicContact CB-CD2 3.99Å; L379-F530 HydrophobicContact CB-CE2 4.02Å; L379-F530 HydrophobicContact CD1-CD2 4.13Å; L379-F530 HydrophobicContact CD1-CE2 4.45Å; L379-F530 HydrophobicContact CG-CD2 4.25Å; V381-F530 HydrophobicContact CG2-CE2 3.76Å; V381-F530 HydrophobicContact CG2-CZ 3.89Å; E528-F530 HydrophobicContact CB-CD2 4.33Å; E528-F530 HydrophobicContact CB-CE2 3.58Å; E528-F530 HydrophobicContact CB-CZ 3.98Å; E528-F530 WeakPolarHBondContact OE2-CZ 3.28Å
531E93.5Very high91.8Very high72 Ų7254.8 Ų54.834%0.33629%0.286SS..EExtended strand (participates in β ladder)trans-89.7108.1166.4-169.1-171154.700109.9Q347 K375 M376 R533Q347-E531 WeakPolarHBondContact CA-O 3.35Å; K375-E531 CarbonylContact O-C 3.39Å; K375-E531 WeakPolarHBondContact O-CA 3.02Å; M376-E531 HydrophobicContact SD-CB 3.9Å; M376-E531 HydrophobicContact SD-CG 3.87Å; E531-R533 HydrophobicContact CG-CG 4.16Å; E531-R533 PolarHBondContact O-N 3.16Å; E531-R533 IonicContact OE1-CZ 2.78Å; E531-R533 IonicContact OE1-NE 3.58Å; E531-R533 PolarHBondContact OE1-NE 3.45Å; E531-R533 IonicContact OE1-NH2 2.69Å; E531-R533 PolarHBondContact OE1-NH2 3.02Å; E531-R533 IonicContact OE2-CZ 3.93Å; E531-R533 IonicContact OE2-NE 3.52Å; E531-R533 PolarHBondContact OE2-NE 2.89Å; E531-R533 IonicContact OE2-NH2 2.82Å; E531-R533 PolarHBondContact OE2-NH2 2.99Å
532I94.4Very high92.3Very high14 Ų1452.2 Ų52.27%0.07227%0.27CS..  trans-74.3106.5177.9-51.9175.5000108.9F342 L368 K375 L377 V536F342-I532 HydrophobicContact CZ-CD1 4.24Å; F342-I532 HydrophobicContact CZ-CG1 4.5Å; L368-I532 HydrophobicContact CD2-CD1 3.66Å; K375-I532 PolarHBondContact O-N 3.4Å; L377-I532 HydrophobicContact CB-CD1 4.21Å; L377-I532 HydrophobicContact CD2-CD1 4.2Å; I532-V536 HydrophobicContact CG2-CG2 3.91Å
533R94.4Very high92.8Very high140 Ų14047.1 Ų47.153%0.52825%0.248SC..  trans-109.5-22.3174.4-61.1-174.2178.1155.94.1112.9C346 Q347 A349 E531C346-R533 PolarHBondContact O-N 3.08Å; Q347-R533 WeakPolarHBondContact O-CB 3.2Å; Q347-R533 WeakPolarHBondContact O-CD 3.3Å; A349-R533 WeakPolarHBondContact CA-O 3.48Å; A349-R533 HydrophobicContact CB-CB 4.17Å; E531-R533 HydrophobicContact CG-CG 4.16Å; E531-R533 PolarHBondContact O-N 3.16Å; E531-R533 IonicContact OE1-CZ 2.78Å; E531-R533 IonicContact OE1-NE 3.58Å; E531-R533 PolarHBondContact OE1-NE 3.45Å; E531-R533 IonicContact OE1-NH2 2.69Å; E531-R533 PolarHBondContact OE1-NH2 3.02Å; E531-R533 IonicContact OE2-CZ 3.93Å; E531-R533 IonicContact OE2-NE 3.52Å; E531-R533 PolarHBondContact OE2-NE 2.89Å; E531-R533 IonicContact OE2-NH2 2.82Å; E531-R533 PolarHBondContact OE2-NH2 2.99Å
534A94.9Very high93.3Very high8 Ų845.5 Ų45.57%0.06624%0.236CC..SBendtrans-63.5151.9175.700000111.3C346 N348 N351 I353 V536C346-A534 WeakPolarHBondContact O-CB 2.89Å; C346-A534 PolarHBondContact O-N 3.29Å; N348-A534 WeakPolarHBondContact O-CA 3.49Å; N351-A534 HydrophobicContact CB-CB 4.17Å; N351-A534 WeakPolarHBondContact O-CA 3.24Å; I353-A534 HydrophobicContact CD1-CB 3.95Å; A534-V536 PolarHBondContact O-N 3.48Å
535R95.8Very high93.7Very high89 Ų8942 Ų4234%0.33622%0.215SC..EExtended strand (participates in β ladder)trans-76104.7175.9178.9171.868-171.4-3.2109.9N222 E225 T226 N351 S352 I353N222-R535 PolarHBondContact O-NH2 3.35Å; N222-R535 VanDerWaalsContact OD1-CZ 3.23Å; N222-R535 PolarHBondContact OD1-NE 2.82Å; N222-R535 PolarHBondContact OD1-NH2 2.92Å; E225-R535 IonicContact OE2-CZ 2.74Å; E225-R535 IonicContact OE2-NH1 3.53Å; E225-R535 PolarHBondContact OE2-NH1 3.39Å; E225-R535 IonicContact OE2-NH2 3.99Å; T226-R535 PolarHBondContact OG1-NH2 3.32Å; T226-R535 VanDerWaalsContact OG1-NH2 3.08Å; N351-R535 PolarHBondContact O-N 3.3Å; S352-R535 CarbonylContact C-O 3.57Å; S352-R535 WeakPolarHBondContact CA-O 3.39Å; S352-R535 WeakPolarHBondContact CB-O 3.28Å; S352-R535 PolarHBondContact OG-O 2.78Å; I353-R535 PolarHBondContact N-O 3.29Å
536V95.7Very high94Very high41 Ų4139.3 Ų39.325%0.24820%0.195CC..EExtended strand (participates in β ladder)trans-86.8132.8171.3-172.80000109.3I353 L355 L368 I532 A534I353-V536 HydrophobicContact CB-CG2 4.31Å; I353-V536 HydrophobicContact CD1-CG2 4.19Å; I353-V536 CarbonylContact O-C 3.6Å; I353-V536 VanDerWaalsContact O-CA 3.31Å; I353-V536 WeakPolarHBondContact O-CA 3.47Å; L355-V536 HydrophobicContact CD1-CG1 4.18Å; L355-V536 HydrophobicContact CG-CG1 4.48Å; L368-V536 HydrophobicContact CB-CG1 4.27Å; L368-V536 HydrophobicContact CD1-CG1 4.49Å; I532-V536 HydrophobicContact CG2-CG2 3.91Å; A534-V536 PolarHBondContact O-N 3.48Å
537T96Very high94.1Very high31 Ų3137 Ų3719%0.1918%0.18CC..EExtended strand (participates in β ladder)trans-146128.6179.4-550000110.3N222 I353 I354 L355 I539N222-T537 PolarHBondContact ND2-OG1 3.36Å; I353-T537 PolarHBondContact O-N 3.28Å; I354-T537 WeakPolarHBondContact CA-O 3.22Å; L355-T537 PolarHBondContact N-O 2.94Å; T537-I539 HydrophobicContact CG2-CD1 4.41Å; T537-I539 HydrophobicContact CG2-CG1 3.96Å
538Y96.4Very high94.1Very high50 Ų5037.3 Ų37.320%0.19618%0.177CC..EExtended strand (participates in β ladder)trans-86.4127.8169.1175.6-112.3000110.2L355 I369 D540L355-Y538 HydrophobicContact CB-CD2 4.22Å; L355-Y538 WeakPolarHBondContact O-CA 3.48Å; L355-Y538 WeakPolarHBondContact O-CD2 3.24Å; I369-Y538 HydrophobicContact CD1-CD2 3.67Å; I369-Y538 HydrophobicContact CD1-CE2 3.98Å; I369-Y538 HydrophobicContact CD1-CG 4.33Å; I369-Y538 HydrophobicContact CG1-CD2 3.88Å; I369-Y538 HydrophobicContact CG1-CG 4.09Å; I369-Y538 HydrophobicContact CG2-CD1 4.36Å; I369-Y538 HydrophobicContact CG2-CG 4.19Å; Y538-D540 HydrophobicContact CE1-CB 4.1Å
539I96.5Very high94.2Very high2 Ų234 Ų341%0.0116%0.164CC..  trans-132.6111.8172.6-50.7178.7000107.2R215 Q218 L219 I354 L355 T356 T537 Y541R215-I539 HydrophobicContact CB-CG2 4.08Å; Q218-I539 HydrophobicContact CG-CD1 4.01Å; Q218-I539 HydrophobicContact CG-CG1 4.4Å; L219-I539 HydrophobicContact CB-CD1 4.05Å; L219-I539 HydrophobicContact CD1-CD1 4.14Å; I354-I539 HydrophobicContact CG2-CB 4.42Å; I354-I539 HydrophobicContact CG2-CD1 3.99Å; I354-I539 HydrophobicContact CG2-CG1 4.15Å; L355-I539 PolarHBondContact O-N 2.96Å; T356-I539 WeakPolarHBondContact CA-O 3.15Å; T537-I539 HydrophobicContact CG2-CD1 4.41Å; T537-I539 HydrophobicContact CG2-CG1 3.96Å; I539-Y541 HydrophobicContact CB-CD2 4.43Å; I539-Y541 HydrophobicContact CB-CE2 4.28Å; I539-Y541 HydrophobicContact CG2-CD2 4Å; I539-Y541 HydrophobicContact CG2-CE2 3.54Å; I539-Y541 WeakPolarHBondContact O-CD2 3.17Å; I539-Y541 PolarHBondContact O-N 3.13Å; I539-Y541 VanDerWaalsContact O-N 3.14Å
540D95.4Very high94.3Very high4 Ų430.2 Ų30.22%0.02114%0.144CC..  trans-62.1114.9-176168.723.3000112.3Q209 R215 Y538 E542Q209-D540 VanDerWaalsContact CG-OD2 3.22Å; Q209-D540 WeakPolarHBondContact CG-OD2 3.4Å; Q209-D540 PolarHBondContact NE2-OD2 3.46Å; R215-D540 WeakPolarHBondContact CD-O 3.46Å; R215-D540 PolarHBondContact NE-O 3.48Å; R215-D540 VanDerWaalsContact NH1-CG 3.29Å; R215-D540 PolarHBondContact NH1-O 2.96Å; R215-D540 IonicContact NH1-OD1 2.74Å; R215-D540 IonicContact NH1-OD2 2.67Å; R215-D540 PolarHBondContact NH1-OD2 3.11Å; Y538-D540 HydrophobicContact CE1-CB 4.1Å; D540-E542 VanDerWaalsContact OD1-CG 3.24Å; D540-E542 WeakPolarHBondContact OD1-CG 3.07Å; D540-E542 PolarHBondContact OD1-N 3.45Å
541Y95.9Very high94.4Very high4 Ų431.1 Ų31.12%0.01615%0.148CC..  trans-128.826166.8-78.5-86.5000111.8R215 D216 L219 R242 L246 L249 T356 I539 G543R215-Y541 PolarHBondContact O-OH 2.91Å; D216-Y541 VanDerWaalsContact CA-OH 3.28Å; D216-Y541 WeakPolarHBondContact CA-OH 3.42Å; D216-Y541 PolarHBondContact N-OH 3.09Å; D216-Y541 PolarHBondContact OD1-OH 2.99Å; D216-Y541 VanDerWaalsContact OD1-OH 3.13Å; L219-Y541 HydrophobicContact CB-CE2 4.2Å; L219-Y541 HydrophobicContact CD2-CE2 3.79Å; L219-Y541 WeakPolarHBondContact CD2-OH 3.27Å; L219-Y541 HydrophobicContact CG-CE2 4.45Å; R242-Y541 PolarHBondContact NE-O 2.81Å; R242-Y541 PolarHBondContact NH2-O 2.74Å; L246-Y541 HydrophobicContact CD2-CD1 3.91Å; L246-Y541 HydrophobicContact CD2-CD2 3.97Å; L246-Y541 HydrophobicContact CD2-CE1 4.1Å; L246-Y541 HydrophobicContact CD2-CE2 4.14Å; L246-Y541 HydrophobicContact CD2-CG 3.85Å; L246-Y541 HydrophobicContact CG-CG 4.45Å; L249-Y541 HydrophobicContact CD2-CE1 3.92Å; T356-Y541 PolarHBondContact O-N 2.82Å; I539-Y541 HydrophobicContact CB-CD2 4.43Å; I539-Y541 HydrophobicContact CB-CE2 4.28Å; I539-Y541 HydrophobicContact CG2-CD2 4Å; I539-Y541 HydrophobicContact CG2-CE2 3.54Å; I539-Y541 WeakPolarHBondContact O-CD2 3.17Å; I539-Y541 PolarHBondContact O-N 3.13Å; I539-Y541 VanDerWaalsContact O-N 3.14Å; Y541-G543 PolarHBondContact O-N 3Å
542E91.8Very high94.4Very high0 Ų034.8 Ų34.80%016%0.163CC..  trans-65.3-25-175.477-163.1153.400112.3H153 N204 R242 Y357 R358 D540 R544H153-E542 PolarHBondContact CE1-O 3.42Å; H153-E542 PolarHBondContact ND1-O 3.31Å; N204-E542 PolarHBondContact ND2-OE1 2.75Å; R242-E542 WeakPolarHBondContact CD-O 3.25Å; R242-E542 PolarHBondContact NE-O 2.9Å; Y357-E542 HydrophobicContact CD2-CB 3.86Å; Y357-E542 HydrophobicContact CE2-CB 4.08Å; R358-E542 IonicContact NH2-OE1 2.7Å; R358-E542 PolarHBondContact NH2-OE1 3.18Å; R358-E542 IonicContact NH2-OE2 3.92Å; D540-E542 VanDerWaalsContact OD1-CG 3.24Å; D540-E542 WeakPolarHBondContact OD1-CG 3.07Å; D540-E542 PolarHBondContact OD1-N 3.45Å; E542-R544 HydrophobicContact CG-CB 4.06Å; E542-R544 HydrophobicContact CG-CG 4.09Å; E542-R544 IonicContact OE2-NH1 3.91Å
543G93.8Very high94.3Very high1 Ų134.8 Ų34.81%0.0116%0.163CC..  trans70.943.6175.800000112.6H153 N177 E181 Y541H153-G543 WeakPolarHBondContact CA-O 3.37Å; H153-G543 PolarHBondContact ND1-O 3.14Å; N177-G543 VanDerWaalsContact CB-O 3.29Å; N177-G543 WeakPolarHBondContact CB-O 3.27Å; N177-G543 PolarHBondContact ND2-O 3.06Å; E181-G543 WeakPolarHBondContact OE1-CA 3.34Å; Y541-G543 PolarHBondContact O-N 3Å
544R95.3Very high94.2Very high4 Ų428.2 Ų28.22%0.01514%0.138CC..  trans-115.3161172.3-68.7178.9173.990.311.4110.8D175 Y357 E542D175-R544 VanDerWaalsContact CG-NH2 3.32Å; D175-R544 IonicContact OD1-CZ 2.75Å; D175-R544 IonicContact OD1-NE 3.89Å; D175-R544 PolarHBondContact OD1-NE 3.24Å; D175-R544 IonicContact OD1-NH2 3.75Å; D175-R544 IonicContact OD2-CZ 3.8Å; D175-R544 IonicContact OD2-NE 3.17Å; D175-R544 IonicContact OD2-NH2 2.85Å; D175-R544 PolarHBondContact OD2-NH2 3.03Å; Y357-R544 PolarHBondContact OH-NH1 2.9Å; Y357-R544 VanDerWaalsContact OH-NH1 3.16Å; Y357-R544 PolarHBondContact OH-NH2 2.81Å; E542-R544 HydrophobicContact CG-CB 4.06Å; E542-R544 HydrophobicContact CG-CG 4.09Å; E542-R544 IonicContact OE2-NH1 3.91Å
545S94.7Very high94.1Very high1 Ų130.7 Ų30.71%0.00715%0.15CC..  trans-68.2146.1172.4-61.10000112F176 N177 H178 N204F176-S545 WeakPolarHBondContact O-CB 3.32Å; F176-S545 PolarHBondContact O-N 2.95Å; F176-S545 PolarHBondContact O-OG 2.97Å; N177-S545 WeakPolarHBondContact CA-OG 3.44Å; H178-S545 PolarHBondContact N-OG 2.96Å; H178-S545 WeakPolarHBondContact ND1-CB 3.43Å; H178-S545 PolarHBondContact ND1-OG 3.08Å; N204-S545 WeakPolarHBondContact CB-O 3.17Å
546D93.4Very high93.8Very high18 Ų1831.7 Ų31.710%0.09616%0.158CC..  trans-79.9161.7170.954.7-80000112.2H178 K179 Q209 D548 S549 I550H178-D546 IonicContact CE1-OD1 3.51Å; H178-D546 PolarHBondContact CE1-OD1 3.41Å; K179-D546 WeakPolarHBondContact CE-OD1 3.18Å; K179-D546 IonicContact NZ-OD1 3.48Å; K179-D546 PolarHBondContact NZ-OD1 2.92Å; Q209-D546 HydrophobicContact CB-CB 3.82Å; D546-D548 PolarHBondContact O-N 3.38Å; D546-S549 VanDerWaalsContact CG-OG 3.23Å; D546-S549 PolarHBondContact O-N 3.29Å; D546-S549 VanDerWaalsContact O-N 3.1Å; D546-S549 PolarHBondContact OD1-OG 3.36Å; D546-S549 PolarHBondContact OD2-N 2.84Å; D546-S549 PolarHBondContact OD2-OG 3.42Å; D546-I550 WeakPolarHBondContact O-CG1 3.41Å; D546-I550 PolarHBondContact O-N 2.64Å
547G92.2Very high93.6Very high3 Ų330.1 Ų30.13%0.03115%0.149CC..Hα-helixtrans-57.4-42.4-17500000114.8N204 A205 Y207 S549 I550 K551N204-G547 VanDerWaalsContact O-CA 3.25Å; N204-G547 WeakPolarHBondContact O-CA 3.43Å; N204-G547 PolarHBondContact O-N 3.27Å; N204-G547 VanDerWaalsContact O-N 3.1Å; A205-G547 WeakPolarHBondContact O-CA 3.49Å; Y207-G547 PolarHBondContact O-N 3.21Å; G547-S549 VanDerWaalsContact C-N 3.3Å; G547-S549 PolarHBondContact O-N 3.35Å; G547-I550 PolarHBondContact O-N 3.02Å; G547-K551 WeakPolarHBondContact O-CB 3.45Å; G547-K551 VanDerWaalsContact O-CG 3.23Å; G547-K551 WeakPolarHBondContact O-CG 3.38Å; G547-K551 PolarHBondContact O-N 3Å
548D92.6Very high93.3Very high118 Ų11834.3 Ų34.363%0.63116%0.164SC*.Hα-helixtrans-62.5-40.5178.1-72.7-27000111.4D546 K552D546-D548 PolarHBondContact O-N 3.38Å; D548-K552 VanDerWaalsContact O-CB 3.29Å; D548-K552 WeakPolarHBondContact O-CB 3.27Å; D548-K552 PolarHBondContact O-N 3.35Å
549S93.4Very high93.2Very high22 Ų2232 Ų3215%0.15416%0.155CC..Hα-helixtrans-72.5-41.6-179.5-58.70000112.2H178 D546 G547 K552 I553H178-S549 WeakPolarHBondContact CE1-CB 3.46Å; H178-S549 PolarHBondContact CE1-OG 3.1Å; H178-S549 PolarHBondContact NE2-OG 3.08Å; D546-S549 VanDerWaalsContact CG-OG 3.23Å; D546-S549 PolarHBondContact O-N 3.29Å; D546-S549 VanDerWaalsContact O-N 3.1Å; D546-S549 PolarHBondContact OD1-OG 3.36Å; D546-S549 PolarHBondContact OD2-N 2.84Å; D546-S549 PolarHBondContact OD2-OG 3.42Å; G547-S549 VanDerWaalsContact C-N 3.3Å; G547-S549 PolarHBondContact O-N 3.35Å; S549-K552 PolarHBondContact O-N 2.99Å; S549-I553 WeakPolarHBondContact O-CD1 3.5Å; S549-I553 VanDerWaalsContact O-CG1 3.25Å; S549-I553 WeakPolarHBondContact O-CG1 3.24Å; S549-I553 PolarHBondContact O-N 3.24Å
550I93.4Very high92.9Very high3 Ų336 Ų362%0.01517%0.17CC..Hα-helixtrans-58.2-51173.5-66.1168.8000109.8F176 D546 G547 K552 I553 I554 L575F176-I550 HydrophobicContact CE2-CG1 4.44Å; F176-I550 HydrophobicContact CZ-CG1 4.07Å; F176-I550 HydrophobicContact CZ-CG2 4.4Å; D546-I550 WeakPolarHBondContact O-CG1 3.41Å; D546-I550 PolarHBondContact O-N 2.64Å; G547-I550 PolarHBondContact O-N 3.02Å; I550-K552 VanDerWaalsContact C-N 3.28Å; I550-K552 PolarHBondContact O-N 3.16Å; I550-I553 PolarHBondContact O-N 3.32Å; I550-I554 HydrophobicContact CG2-CD1 3.8Å; I550-I554 WeakPolarHBondContact O-CG1 3.12Å; I550-I554 PolarHBondContact O-N 2.93Å; I550-L575 HydrophobicContact CG2-CD1 4.16Å; I550-L575 HydrophobicContact CG2-CD2 4.34Å
551K93.3Very high92.8Very high29 Ų2935.9 Ų35.913%0.12617%0.17CC..Hα-helixtrans-57.5-40.8177.3-72.1173.3-170.1-171.70111.8G547 N555 D574 L575 S578 F582G547-K551 WeakPolarHBondContact O-CB 3.45Å; G547-K551 VanDerWaalsContact O-CG 3.23Å; G547-K551 WeakPolarHBondContact O-CG 3.38Å; G547-K551 PolarHBondContact O-N 3Å; K551-N555 VanDerWaalsContact O-CB 3.29Å; K551-N555 WeakPolarHBondContact O-CB 3.41Å; K551-N555 PolarHBondContact O-N 2.89Å; K551-D574 WeakPolarHBondContact CE-OD2 3.31Å; K551-D574 VanDerWaalsContact NZ-CG 3.28Å; K551-D574 IonicContact NZ-OD1 2.72Å; K551-D574 PolarHBondContact NZ-OD1 2.94Å; K551-D574 IonicContact NZ-OD2 3.68Å; K551-D574 PolarHBondContact NZ-OD2 3.26Å; K551-L575 HydrophobicContact CG-CD1 3.69Å; K551-S578 WeakPolarHBondContact CE-OG 3.3Å; K551-S578 PolarHBondContact NZ-OG 3.26Å; K551-F582 HydrophobicContact CB-CE2 4.27Å
552K92.8Very high92.8Very high149 Ų14935.7 Ų35.765%0.64817%0.169SC*.Hα-helixtrans-67.2-43.9178.1-174.2-178.5177.3-1710112.7D548 S549 I550 N555 Q556D548-K552 VanDerWaalsContact O-CB 3.29Å; D548-K552 WeakPolarHBondContact O-CB 3.27Å; D548-K552 PolarHBondContact O-N 3.35Å; S549-K552 PolarHBondContact O-N 2.99Å; I550-K552 VanDerWaalsContact C-N 3.28Å; I550-K552 PolarHBondContact O-N 3.16Å; K552-N555 PolarHBondContact O-N 3.38Å; K552-Q556 WeakPolarHBondContact O-CB 3.43Å; K552-Q556 PolarHBondContact O-N 3.33Å
553I93.2Very high93Very high13 Ų1335.7 Ų35.77%0.06717%0.169CC..Hα-helixtrans-62.8-47.1179.4-70.2162.5000110F176 H178 L189 S549 I550 N555 Q556 M557F176-I553 HydrophobicContact CE2-CD1 3.83Å; H178-I553 HydrophobicContact CB-CD1 3.69Å; L189-I553 HydrophobicContact CB-CG2 4.14Å; L189-I553 HydrophobicContact CD1-CG2 4.39Å; S549-I553 WeakPolarHBondContact O-CD1 3.5Å; S549-I553 VanDerWaalsContact O-CG1 3.25Å; S549-I553 WeakPolarHBondContact O-CG1 3.24Å; S549-I553 PolarHBondContact O-N 3.24Å; I550-I553 PolarHBondContact O-N 3.32Å; I553-N555 VanDerWaalsContact C-N 3.33Å; I553-N555 PolarHBondContact O-N 3.32Å; I553-Q556 PolarHBondContact O-N 3.5Å; I553-Q556 VanDerWaalsContact O-N 3.14Å; I553-M557 HydrophobicContact CG2-CG 4.41Å; I553-M557 HydrophobicContact CG2-SD 3.83Å; I553-M557 WeakPolarHBondContact O-CG 3.37Å; I553-M557 PolarHBondContact O-N 3.28Å
554I92.8Very high93.1Very high3 Ų335.8 Ų35.82%0.01517%0.169CC..Hα-helixtrans-61.9-42.3177.7-63.9168.8000111L198 T200 I550 Q556 M557 K558 P559 L562 L575L198-I554 HydrophobicContact CD2-CG1 4.14Å; T200-I554 HydrophobicContact CG2-CD1 4.1Å; I550-I554 HydrophobicContact CG2-CD1 3.8Å; I550-I554 WeakPolarHBondContact O-CG1 3.12Å; I550-I554 PolarHBondContact O-N 2.93Å; I554-Q556 VanDerWaalsContact C-N 3.29Å; I554-Q556 PolarHBondContact O-N 2.82Å; I554-M557 PolarHBondContact O-N 3.46Å; I554-K558 PolarHBondContact O-N 3.2Å; I554-P559 HydrophobicContact CG2-CG 4.21Å; I554-P559 WeakPolarHBondContact O-CD 3.33Å; I554-L562 HydrophobicContact CG2-CD2 4.14Å; I554-L575 HydrophobicContact CD1-CD1 4.11Å; I554-L575 HydrophobicContact CD1-CD2 4.38Å
555N91.5Very high93.1Very high59 Ų5935.6 Ų35.632%0.31617%0.169SC..Hα-helixtrans-65.1-31.3177.1-171.923.7000112.9K551 K552 I553 K558 F582K551-N555 VanDerWaalsContact O-CB 3.29Å; K551-N555 WeakPolarHBondContact O-CB 3.41Å; K551-N555 PolarHBondContact O-N 2.89Å; K552-N555 PolarHBondContact O-N 3.38Å; I553-N555 VanDerWaalsContact C-N 3.33Å; I553-N555 PolarHBondContact O-N 3.32Å; N555-K558 WeakPolarHBondContact O-CG 3.29Å; N555-F582 HydrophobicContact CB-CD2 4Å; N555-F582 HydrophobicContact CB-CE2 4.47Å; N555-F582 HydrophobicContact CB-CG 4.41Å
556Q90.8Very high93Very high110 Ų11035.9 Ų35.951%0.51417%0.169SC..Hα-helixtrans-74.2-43.5174.2-178.8175.1-21.400111.8K552 I553 I554K552-Q556 WeakPolarHBondContact O-CB 3.43Å; K552-Q556 PolarHBondContact O-N 3.33Å; I553-Q556 PolarHBondContact O-N 3.5Å; I553-Q556 VanDerWaalsContact O-N 3.14Å; I554-Q556 VanDerWaalsContact C-N 3.29Å; I554-Q556 PolarHBondContact O-N 2.82Å
557M90.8Very high92.8Very high9 Ų935 Ų354%0.04417%0.165CC..Hα-helixtrans-68-37-179.9-71.6175.667.800112.8L189 I192 R194 P195 L198 I553 I554L189-M557 HydrophobicContact CB-SD 4.15Å; L189-M557 HydrophobicContact CD2-CE 3.93Å; L189-M557 HydrophobicContact CD2-SD 3.91Å; I192-M557 HydrophobicContact CB-CE 4.15Å; I192-M557 HydrophobicContact CG2-CE 4.22Å; R194-M557 WeakPolarHBondContact CA-O 3.26Å; R194-M557 PolarHBondContact N-O 3.45Å; P195-M557 HydrophobicContact CG-CE 3.87Å; L198-M557 HydrophobicContact CD1-CE 4.31Å; L198-M557 HydrophobicContact CD2-CE 4.27Å; L198-M557 HydrophobicContact CD2-SD 4.43Å; I553-M557 HydrophobicContact CG2-CG 4.41Å; I553-M557 HydrophobicContact CG2-SD 3.83Å; I553-M557 WeakPolarHBondContact O-CG 3.37Å; I553-M557 PolarHBondContact O-N 3.28Å; I554-M557 PolarHBondContact O-N 3.46Å
558K90.4Very high92.8Very high118 Ų11836.5 Ų36.551%0.51317%0.174SC..  trans53.554.3-177.4-58.4-177.1178179.30113.8R194 I554 N555R194-K558 WeakPolarHBondContact CG-O 3.12Å; I554-K558 PolarHBondContact O-N 3.2Å; N555-K558 WeakPolarHBondContact O-CG 3.29Å
559P92.7Very high92.7Very high1 Ų133.9 Ų33.91%0.00616%0.164CC..  trans-56.9146.8179.629.2-37.5000111.4P195 L198 I554 L562 I586P195-P559 HydrophobicContact CG-CB 4.02Å; P195-P559 WeakPolarHBondContact O-CA 3.42Å; L198-P559 HydrophobicContact CB-CB 3.78Å; L198-P559 HydrophobicContact CB-CG 4.16Å; L198-P559 HydrophobicContact CD2-CG 4.15Å; I554-P559 HydrophobicContact CG2-CG 4.21Å; I554-P559 WeakPolarHBondContact O-CD 3.33Å; P559-L562 HydrophobicContact CG-CB 4.45Å; P559-L562 HydrophobicContact CG-CD1 4.47Å; P559-I586 WeakPolarHBondContact O-CG1 3.4Å
560R91.2Very high92.7Very high86 Ų8640.7 Ų40.733%0.32519%0.193SC..SBendtrans-69.1-42.4177.2-62.5-174.3-176.4-1215.2111.3E168 P195 S196 K587E168-R560 IonicContact OE1-CZ 3.16Å; E168-R560 VanDerWaalsContact OE1-CZ 3.26Å; E168-R560 IonicContact OE1-NE 3.57Å; E168-R560 PolarHBondContact OE1-NE 2.96Å; E168-R560 IonicContact OE1-NH2 2.75Å; E168-R560 PolarHBondContact OE1-NH2 2.79Å; E168-R560 VanDerWaalsContact OE2-CD 3.25Å; E168-R560 WeakPolarHBondContact OE2-CD 3.42Å; E168-R560 IonicContact OE2-CZ 3.51Å; E168-R560 IonicContact OE2-NE 3.51Å; E168-R560 PolarHBondContact OE2-NE 2.94Å; E168-R560 IonicContact OE2-NH2 3.88Å; P195-R560 PolarHBondContact O-N 3.09Å; S196-R560 WeakPolarHBondContact O-CB 3.4Å; R560-K587 PolarHBondContact O-N 3.41Å; R560-K587 VanDerWaalsContact O-N 3.14Å
561Q93.6Very high92.7Very high3 Ų340.8 Ų40.81%0.01419%0.194CC..EExtended strand (participates in β ladder)trans-126.3142.6173.8-69.1161.5-42.300109.9S196 L197 L198 K587 Y589 A599S196-Q561 WeakPolarHBondContact O-CB 3.49Å; S196-Q561 PolarHBondContact O-N 2.79Å; L197-Q561 WeakPolarHBondContact CA-O 3.41Å; L197-Q561 HydrophobicContact CD1-CB 3.94Å; L198-Q561 PolarHBondContact N-O 2.72Å; Q561-K587 CarbonylContact C-O 3.52Å; Q561-K587 WeakPolarHBondContact CA-O 3.37Å; Q561-K587 HydrophobicContact CG-CB 4.02Å; Q561-K587 HydrophobicContact CG-CD 4.27Å; Q561-Y589 HydrophobicContact CB-CE2 4.36Å; Q561-Y589 HydrophobicContact CG-CE2 4.27Å; Q561-A599 VanDerWaalsContact CD-O 3.27Å; Q561-A599 PolarHBondContact NE2-O 3.35Å; Q561-A599 PolarHBondContact OE1-O 3.42Å
562L95.4Very high92.7Very high0 Ų039.8 Ų39.80%019%0.191CC..EExtended strand (participates in β ladder)trans-128.3125179.5179.267000108.6L198 T200 I554 P559 I564 C579 I586 K587 V588 Y589L198-L562 HydrophobicContact CB-CD1 3.95Å; L198-L562 HydrophobicContact CD2-CD1 3.82Å; L198-L562 HydrophobicContact CG-CD1 3.87Å; L198-L562 CarbonylContact O-C 3.55Å; L198-L562 WeakPolarHBondContact O-CA 3.45Å; T200-L562 HydrophobicContact CG2-CD1 3.7Å; I554-L562 HydrophobicContact CG2-CD2 4.14Å; P559-L562 HydrophobicContact CG-CB 4.45Å; P559-L562 HydrophobicContact CG-CD1 4.47Å; L562-I564 HydrophobicContact CD2-CD1 4.21Å; L562-I564 HydrophobicContact CD2-CG1 4.11Å; L562-I564 HydrophobicContact CG-CG1 4.09Å; L562-C579 HydrophobicContact CD2-CB 3.98Å; L562-I586 HydrophobicContact CB-CG2 3.97Å; L562-K587 PolarHBondContact N-O 3.05Å; L562-V588 HydrophobicContact CB-CG2 4.3Å; L562-V588 HydrophobicContact CD2-CG1 4.16Å; L562-V588 HydrophobicContact CD2-CG2 4.19Å; L562-V588 HydrophobicContact CG-CG1 4.47Å; L562-V588 CarbonylContact O-C 3.57Å; L562-V588 WeakPolarHBondContact O-CA 3.28Å; L562-Y589 PolarHBondContact O-N 3.32Å
563V96.6Very high92.8Very high0 Ų037.3 Ų37.30%018%0.184CC..EExtended strand (participates in β ladder)trans-110.6120.7168.8-178.20000108L7 L197 L198 I199 T200 V565 Y589 P591 V597L7-V563 HydrophobicContact CD2-CB 4.32Å; L7-V563 HydrophobicContact CD2-CG1 3.7Å; L197-V563 HydrophobicContact CD1-CG2 3.67Å; L198-V563 PolarHBondContact O-N 2.75Å; I199-V563 WeakPolarHBondContact CA-O 3.35Å; I199-V563 HydrophobicContact CG1-CB 4.35Å; T200-V563 PolarHBondContact N-O 3.36Å; V563-V565 HydrophobicContact CG1-CG1 3.99Å; V563-Y589 HydrophobicContact CG2-CD2 4.09Å; V563-Y589 HydrophobicContact CG2-CG 4.44Å; V563-P591 HydrophobicContact CG1-CG 4.02Å; V563-V597 HydrophobicContact CG2-CG1 4.38Å
564I95.9Very high92.8Very high2 Ų239.3 Ų39.31%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-96.2113.3177.3-60.9168.2000107.3T200 S202 L562 L575 A576 V588 Y589 T590 P591T200-I564 WeakPolarHBondContact O-CA 3.29Å; S202-I564 VanDerWaalsContact CB-CG2 3.49Å; L562-I564 HydrophobicContact CD2-CD1 4.21Å; L562-I564 HydrophobicContact CD2-CG1 4.11Å; L562-I564 HydrophobicContact CG-CG1 4.09Å; I564-L575 HydrophobicContact CD1-CB 4.07Å; I564-L575 HydrophobicContact CD1-CD2 4.06Å; I564-L575 HydrophobicContact CD1-CG 3.89Å; I564-L575 HydrophobicContact CG1-CD2 4.15Å; I564-L575 HydrophobicContact CG1-CG 4.49Å; I564-L575 HydrophobicContact CG2-CD2 4.17Å; I564-A576 HydrophobicContact CD1-CB 3.78Å; I564-V588 HydrophobicContact CD1-CG1 3.64Å; I564-V588 HydrophobicContact CG1-CG1 4.27Å; I564-Y589 PolarHBondContact N-O 2.94Å; I564-T590 HydrophobicContact CB-CG2 4.21Å; I564-T590 HydrophobicContact CD1-CG2 4.36Å; I564-P591 WeakPolarHBondContact O-CD 3.42Å
565V94.8Very high92.9Very high1 Ų139.2 Ų39.21%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-108.9177.7172.9-59.60000109.2L7 V13 Y21 V174 I199 T200 D201 S202 V563 P591L7-V565 HydrophobicContact CD2-CG1 4.33Å; V13-V565 HydrophobicContact CG2-CB 4.42Å; Y21-V565 HydrophobicContact CD1-CG1 4.32Å; Y21-V565 HydrophobicContact CE1-CB 3.84Å; Y21-V565 HydrophobicContact CE1-CG1 3.88Å; Y21-V565 HydrophobicContact CE1-CG2 4.37Å; Y21-V565 HydrophobicContact CE2-CB 4.34Å; Y21-V565 HydrophobicContact CE2-CG2 3.96Å; Y21-V565 WeakPolarHBondContact OH-CB 3.3Å; Y21-V565 WeakPolarHBondContact OH-CG2 3.28Å; V174-V565 HydrophobicContact CG1-CG2 4.02Å; I199-V565 HydrophobicContact CG2-CG1 3.94Å; I199-V565 HydrophobicContact CG2-CG2 3.95Å; T200-V565 WeakPolarHBondContact O-CG2 3.29Å; T200-V565 PolarHBondContact O-N 3.18Å; D201-V565 CarbonylContact C-O 3.55Å; D201-V565 VanDerWaalsContact CA-O 3.23Å; D201-V565 WeakPolarHBondContact CA-O 3.44Å; S202-V565 PolarHBondContact N-O 3.43Å; S202-V565 VanDerWaalsContact N-O 3.14Å; S202-V565 PolarHBondContact OG-O 3.18Å; V563-V565 HydrophobicContact CG1-CG1 3.99Å; V565-P591 HydrophobicContact CG1-CG 4.47Å
566H91.6Very high93Very high6 Ų636.6 Ų36.63%0.02818%0.181CC..SBendtrans45.3132.2172.1-168.758.7000118.5G12 S17 L19 D201 S202 F203G12-H566 WeakPolarHBondContact O-CA 3.4Å; G12-H566 PolarHBondContact O-N 3.28Å; S17-H566 PolarHBondContact O-CE1 3.1Å; S17-H566 VanDerWaalsContact O-CE1 3.32Å; S17-H566 PolarHBondContact O-ND1 3.1Å; L19-H566 HydrophobicContact CD2-CB 3.73Å; L19-H566 VanDerWaalsContact CD2-CG 3.44Å; L19-H566 VanDerWaalsContact CD2-ND1 3.27Å; L19-H566 WeakPolarHBondContact CD2-ND1 3.33Å; D201-H566 HydrophobicContact CB-CB 3.97Å; S202-H566 CarbonylContact C-O 3.55Å; S202-H566 WeakPolarHBondContact CA-O 3.48Å; S202-H566 PolarHBondContact N-O 3.12Å; S202-H566 PolarHBondContact OG-O 3.27Å; F203-H566 AromaticContact CD2-NE2 3.51Å; F203-H566 AromaticContact CG-NE2 3.94Å; F203-H566 PolarHBondContact N-O 2.72Å
567G89.9Confident93.1Very high0 Ų037.8 Ų37.80%019%0.187CC..SBendtrans109.8170.917900000113.3Q14 E15Q14-G567 CarbonylContact C-O 3.52Å; Q14-G567 WeakPolarHBondContact CA-O 3.28Å; E15-G567 PolarHBondContact N-O 2.83Å; E15-G567 VanDerWaalsContact N-O 3.16Å; E15-G567 PolarHBondContact O-N 2.81Å
568P91.6Very high93.2Very high35 Ų3538.4 Ų38.423%0.22719%0.191CC..  trans-70.2150-172.727.7-32.6000111.1E570 A571 S572P568-E570 PolarHBondContact O-N 2.89Å; P568-E570 VanDerWaalsContact O-N 3.14Å; P568-A571 HydrophobicContact CG-CB 3.76Å; P568-A571 PolarHBondContact O-N 2.84Å; P568-S572 PolarHBondContact O-N 3.14Å; P568-S572 PolarHBondContact O-OG 2.98Å
569P91.8Very high93.2Very high63 Ų6332.8 Ų32.841%0.40917%0.167SC..Hα-helixtrans-59.5-32.6-174.923.9-34000112.6L573P569-L573 WeakPolarHBondContact O-CB 3.46Å; P569-L573 VanDerWaalsContact O-CG 3.23Å; P569-L573 WeakPolarHBondContact O-CG 3.5Å; P569-L573 PolarHBondContact O-N 3.14Å
570E92.9Very high93.1Very high165 Ų16538.2 Ų38.277%0.77119%0.191SC*.Hα-helixtrans-62.9-43.4176.1-60.3-174.6173.700112P568 D574P568-E570 PolarHBondContact O-N 2.89Å; P568-E570 VanDerWaalsContact O-N 3.14Å; E570-D574 PolarHBondContact O-N 3.34Å; E570-D574 VanDerWaalsContact O-N 3.08Å
571A93.4Very high93Very high4 Ų438.1 Ų38.13%0.03321%0.208CC..Hα-helixtrans-73.4-37.4179.400000111.8S202 A205 A206 P568 L573 D574 L575S202-A571 VanDerWaalsContact O-CB 3.31Å; S202-A571 WeakPolarHBondContact O-CB 3.5Å; A205-A571 HydrophobicContact CB-CB 4.24Å; A206-A571 HydrophobicContact CB-CB 4.18Å; P568-A571 HydrophobicContact CG-CB 3.76Å; P568-A571 PolarHBondContact O-N 2.84Å; A571-L573 VanDerWaalsContact C-N 3.32Å; A571-L573 PolarHBondContact O-N 3.02Å; A571-D574 PolarHBondContact O-N 2.68Å; A571-L575 PolarHBondContact O-N 2.72Å
572S93.8Very high92.5Very high8 Ų843 Ų436%0.05623%0.23CC..Hα-helixtrans-62-40.5174.4-51.20000111.9S202 P568 A576S202-S572 WeakPolarHBondContact OG-CA 3.33Å; S202-S572 PolarHBondContact OG-OG 3.48Å; P568-S572 PolarHBondContact O-N 3.14Å; P568-S572 PolarHBondContact O-OG 2.98Å; S572-A576 VanDerWaalsContact O-CB 3.27Å; S572-A576 WeakPolarHBondContact O-CB 3.22Å; S572-A576 PolarHBondContact O-N 3.4Å
573L93.4Very high91.7Very high98 Ų9844.3 Ų44.351%0.51324%0.239SC..Hα-helixtrans-66.6-45.8176.1-72.6172000111.8P569 A571 L575 A576 E577P569-L573 WeakPolarHBondContact O-CB 3.46Å; P569-L573 VanDerWaalsContact O-CG 3.23Å; P569-L573 WeakPolarHBondContact O-CG 3.5Å; P569-L573 PolarHBondContact O-N 3.14Å; A571-L573 VanDerWaalsContact C-N 3.32Å; A571-L573 PolarHBondContact O-N 3.02Å; L573-L575 VanDerWaalsContact C-N 3.34Å; L573-L575 PolarHBondContact O-N 3.39Å; L573-A576 PolarHBondContact O-N 3.11Å; L573-E577 WeakPolarHBondContact O-CG 3.31Å; L573-E577 PolarHBondContact O-N 3.34Å
574D93.9Very high90.8Very high55 Ų5554 Ų5429%0.29428%0.281SS..Hα-helixtrans-59.2-42.617717257.5000112.4K551 E570 A571 S578K551-D574 WeakPolarHBondContact CE-OD2 3.31Å; K551-D574 VanDerWaalsContact NZ-CG 3.28Å; K551-D574 IonicContact NZ-OD1 2.72Å; K551-D574 PolarHBondContact NZ-OD1 2.94Å; K551-D574 IonicContact NZ-OD2 3.68Å; K551-D574 PolarHBondContact NZ-OD2 3.26Å; E570-D574 PolarHBondContact O-N 3.34Å; E570-D574 VanDerWaalsContact O-N 3.08Å; A571-D574 PolarHBondContact O-N 2.68Å; D574-S578 VanDerWaalsContact O-CB 3.31Å; D574-S578 WeakPolarHBondContact O-CB 3.27Å; D574-S578 PolarHBondContact O-N 3.35Å; D574-S578 PolarHBondContact O-OG 3.13Å
575L94.4Very high90.2Very high0 Ų060 Ų600%031%0.313CS..Hα-helixtrans-65-43.7174.7-172.757.4000111.7A205 I550 K551 I554 I564 A571 L573 S578 C579A205-L575 HydrophobicContact CB-CB 3.82Å; A205-L575 HydrophobicContact CB-CD1 4.46Å; A205-L575 HydrophobicContact CB-CD2 4.26Å; A205-L575 HydrophobicContact CB-CG 4.4Å; I550-L575 HydrophobicContact CG2-CD1 4.16Å; I550-L575 HydrophobicContact CG2-CD2 4.34Å; K551-L575 HydrophobicContact CG-CD1 3.69Å; I554-L575 HydrophobicContact CD1-CD1 4.11Å; I554-L575 HydrophobicContact CD1-CD2 4.38Å; I564-L575 HydrophobicContact CD1-CB 4.07Å; I564-L575 HydrophobicContact CD1-CD2 4.06Å; I564-L575 HydrophobicContact CD1-CG 3.89Å; I564-L575 HydrophobicContact CG1-CD2 4.15Å; I564-L575 HydrophobicContact CG1-CG 4.49Å; I564-L575 HydrophobicContact CG2-CD2 4.17Å; A571-L575 PolarHBondContact O-N 2.72Å; L573-L575 VanDerWaalsContact C-N 3.34Å; L573-L575 PolarHBondContact O-N 3.39Å; L575-S578 PolarHBondContact O-N 2.6Å; L575-C579 WeakPolarHBondContact O-CB 3.38Å; L575-C579 PolarHBondContact O-N 2.95Å; L575-C579 PolarHBondContact O-SG 3.35Å
576A94Very high89.9Confident4 Ų460.7 Ų60.73%0.03332%0.317CS..Hα-helixtrans-63.7-44.1-179.400000112.3I564 S572 L573 C579 K580 V588 T590I564-A576 HydrophobicContact CD1-CB 3.78Å; S572-A576 VanDerWaalsContact O-CB 3.27Å; S572-A576 WeakPolarHBondContact O-CB 3.22Å; S572-A576 PolarHBondContact O-N 3.4Å; L573-A576 PolarHBondContact O-N 3.11Å; A576-C579 PolarHBondContact O-N 2.98Å; A576-K580 WeakPolarHBondContact O-CB 3.36Å; A576-K580 VanDerWaalsContact O-CG 3.27Å; A576-K580 WeakPolarHBondContact O-CG 3.43Å; A576-K580 PolarHBondContact O-N 2.92Å; A576-K580 VanDerWaalsContact O-N 3.07Å; A576-V588 HydrophobicContact CB-CG1 3.92Å; A576-T590 HydrophobicContact CB-CG2 4.06Å
577E93.2Very high89.9Confident136 Ų13665.9 Ų65.964%0.63634%0.339SS*.Hα-helixtrans-64.9-43.6176.6-72.3-172.6169.800111.5L573 C579 K580 A581L573-E577 WeakPolarHBondContact O-CG 3.31Å; L573-E577 PolarHBondContact O-N 3.34Å; E577-C579 PolarHBondContact O-N 3.01Å; E577-K580 PolarHBondContact O-N 3.38Å; E577-A581 WeakPolarHBondContact O-CB 3.21Å; E577-A581 PolarHBondContact O-N 2.57Å
578S92.3Very high90.1Very high21 Ų2166.8 Ų66.815%0.14735%0.345CS..Hα-helixtrans-58.5-46.7176.1-61.90000111.6K551 D574 L575 A581 F582K551-S578 WeakPolarHBondContact CE-OG 3.3Å; K551-S578 PolarHBondContact NZ-OG 3.26Å; D574-S578 VanDerWaalsContact O-CB 3.31Å; D574-S578 WeakPolarHBondContact O-CB 3.27Å; D574-S578 PolarHBondContact O-N 3.35Å; D574-S578 PolarHBondContact O-OG 3.13Å; L575-S578 PolarHBondContact O-N 2.6Å; S578-A581 PolarHBondContact O-N 2.76Å; S578-F582 WeakPolarHBondContact O-CD2 3.47Å; S578-F582 WeakPolarHBondContact O-CE2 3.29Å; S578-F582 WeakPolarHBondContact O-CG 3.39Å; S578-F582 PolarHBondContact O-N 2.99Å
579C91.3Very high90.3Very high1 Ų168.3 Ų68.31%0.00735%0.346CS..Hα-helixtrans-65.9-41.6-179.7-66.10000112.5L562 L575 A576 E577 A581 F582 S583 V588L562-C579 HydrophobicContact CD2-CB 3.98Å; L575-C579 WeakPolarHBondContact O-CB 3.38Å; L575-C579 PolarHBondContact O-N 2.95Å; L575-C579 PolarHBondContact O-SG 3.35Å; A576-C579 PolarHBondContact O-N 2.98Å; E577-C579 PolarHBondContact O-N 3.01Å; C579-A581 VanDerWaalsContact C-N 3.28Å; C579-A581 PolarHBondContact O-N 3.3Å; C579-F582 PolarHBondContact O-N 2.77Å; C579-S583 PolarHBondContact O-N 2.85Å; C579-V588 HydrophobicContact CB-CG2 4.07Å
580K89.8Confident90.4Very high115 Ų11567.9 Ų67.950%0.534%0.343SS..Hα-helixtrans-64.9-32175.3-71.7172-173.5175.10112.4A576 E577 V588A576-K580 WeakPolarHBondContact O-CB 3.36Å; A576-K580 VanDerWaalsContact O-CG 3.27Å; A576-K580 WeakPolarHBondContact O-CG 3.43Å; A576-K580 PolarHBondContact O-N 2.92Å; A576-K580 VanDerWaalsContact O-N 3.07Å; E577-K580 PolarHBondContact O-N 3.38Å; K580-V588 HydrophobicContact CG-CB 4.38Å; K580-V588 HydrophobicContact CG-CG2 3.99Å
581A89.3Confident90.5Very high84 Ų8460.1 Ų60.169%0.69431%0.307SS*.Hα-helixtrans-71.5-35.3177.500000112.6E577 S578 C579E577-A581 WeakPolarHBondContact O-CB 3.21Å; E577-A581 PolarHBondContact O-N 2.57Å; S578-A581 PolarHBondContact O-N 2.76Å; C579-A581 VanDerWaalsContact C-N 3.28Å; C579-A581 PolarHBondContact O-N 3.3Å
582F83.9Confident90.4Very high105 Ų10566.1 Ų66.146%0.46133%0.332SS..Hα-helixtrans-73.9-36.8-179.9-62.7-41.6000113.6K551 N555 S578 C579K551-F582 HydrophobicContact CB-CE2 4.27Å; N555-F582 HydrophobicContact CB-CD2 4Å; N555-F582 HydrophobicContact CB-CE2 4.47Å; N555-F582 HydrophobicContact CB-CG 4.41Å; S578-F582 WeakPolarHBondContact O-CD2 3.47Å; S578-F582 WeakPolarHBondContact O-CE2 3.29Å; S578-F582 WeakPolarHBondContact O-CG 3.39Å; S578-F582 PolarHBondContact O-N 2.99Å; C579-F582 PolarHBondContact O-N 2.77Å
583S78.9Confident90.3Very high27 Ų2770.1 Ų70.119%0.18935%0.352CS..  trans-148.1122-178.6-176.90000111C579 D585C579-S583 PolarHBondContact O-N 2.85Å; S583-D585 PolarHBondContact O-N 2.9Å; S583-D585 PolarHBondContact OG-N 2.93Å
584K77.2Confident90.1Very high203 Ų20369.4 Ų69.488%0.88335%0.346SS*.THydrogen-bonded Turntrans-70.1-14.7176-67.8-173.3178.7-178.50113.1
585D82.3Confident90.1Very high130 Ų13070.8 Ų70.870%0.69535%0.351SS*.THydrogen-bonded Turntrans-87.5-10.7-174-57.8-26.7000112.7S583S583-D585 PolarHBondContact O-N 2.9Å; S583-D585 PolarHBondContact OG-N 2.93Å
586I89.1Confident90Very high15 Ų1574 Ų748%0.07737%0.371CS..  trans-86.7120.3-179-53.8-179.3000109.6P559 L562 V588P559-I586 WeakPolarHBondContact O-CG1 3.4Å; L562-I586 HydrophobicContact CB-CG2 3.97Å; I586-V588 HydrophobicContact CG2-CG2 3.89Å; I586-V588 PolarHBondContact O-N 3.26Å
587K91.9Very high90Very high114 Ų11474.3 Ų74.350%0.49637%0.372SS..EExtended strand (participates in β ladder)trans-82.1110.7170.1-63.7178.5-174174.20109.1R560 Q561 L562 Y589R560-K587 PolarHBondContact O-N 3.41Å; R560-K587 VanDerWaalsContact O-N 3.14Å; Q561-K587 CarbonylContact C-O 3.52Å; Q561-K587 WeakPolarHBondContact CA-O 3.37Å; Q561-K587 HydrophobicContact CG-CB 4.02Å; Q561-K587 HydrophobicContact CG-CD 4.27Å; L562-K587 PolarHBondContact N-O 3.05Å; K587-Y589 HydrophobicContact CB-CE2 3.93Å
588V94.8Very high90Very high20 Ų2071.7 Ų71.712%0.12136%0.362CS..EExtended strand (participates in β ladder)trans-103.1128.9-178.9-174.50000110.7L562 I564 A576 C579 K580 I586L562-V588 HydrophobicContact CB-CG2 4.3Å; L562-V588 HydrophobicContact CD2-CG1 4.16Å; L562-V588 HydrophobicContact CD2-CG2 4.19Å; L562-V588 HydrophobicContact CG-CG1 4.47Å; L562-V588 CarbonylContact O-C 3.57Å; L562-V588 WeakPolarHBondContact O-CA 3.28Å; I564-V588 HydrophobicContact CD1-CG1 3.64Å; I564-V588 HydrophobicContact CG1-CG1 4.27Å; A576-V588 HydrophobicContact CB-CG1 3.92Å; C579-V588 HydrophobicContact CB-CG2 4.07Å; K580-V588 HydrophobicContact CG-CB 4.38Å; K580-V588 HydrophobicContact CG-CG2 3.99Å; I586-V588 HydrophobicContact CG2-CG2 3.89Å; I586-V588 PolarHBondContact O-N 3.26Å
589Y95.1Very high89.8Confident66 Ų6670.7 Ų70.726%0.25936%0.355SS..EExtended strand (participates in β ladder)trans-117.9139.1178.2-56.3-89.1000110.9Q561 L562 V563 I564 K587 V597Q561-Y589 HydrophobicContact CB-CE2 4.36Å; Q561-Y589 HydrophobicContact CG-CE2 4.27Å; L562-Y589 PolarHBondContact O-N 3.32Å; V563-Y589 HydrophobicContact CG2-CD2 4.09Å; V563-Y589 HydrophobicContact CG2-CG 4.44Å; I564-Y589 PolarHBondContact N-O 2.94Å; K587-Y589 HydrophobicContact CB-CE2 3.93Å; Y589-V597 HydrophobicContact CD1-CG1 3.52Å; Y589-V597 HydrophobicContact CD2-CG1 4.07Å; Y589-V597 HydrophobicContact CE1-CG1 3.96Å; Y589-V597 HydrophobicContact CE2-CG1 4.49Å; Y589-V597 HydrophobicContact CG-CG1 3.56Å
590T94.1Very high89.6Confident55 Ų5572.3 Ų72.334%0.33737%0.366SS..  trans-127.983.7174.251.80000107.4I564 A576I564-T590 HydrophobicContact CB-CG2 4.21Å; I564-T590 HydrophobicContact CD1-CG2 4.36Å; A576-T590 HydrophobicContact CB-CG2 4.06Å
591P94.1Very high89Confident2 Ų268.2 Ų68.21%0.01335%0.351CS..PPolyproline II helixtrans-57.7161.8-178.120.7-31.1000112.2A9 V13 Q14 V563 I564 V565 E595 V597A9-P591 HydrophobicContact CB-CB 4.25Å; A9-P591 HydrophobicContact CB-CG 4.46Å; V13-P591 HydrophobicContact CG1-CB 4.45Å; V13-P591 HydrophobicContact CG1-CG 4.2Å; V13-P591 WeakPolarHBondContact CG1-O 3.08Å; Q14-P591 PolarHBondContact NE2-O 3.5Å; V563-P591 HydrophobicContact CG1-CG 4.02Å; I564-P591 WeakPolarHBondContact O-CD 3.42Å; V565-P591 HydrophobicContact CG1-CG 4.47Å; P591-E595 HydrophobicContact CB-CB 4.43Å; P591-V597 HydrophobicContact CB-CG2 3.81Å; P591-V597 HydrophobicContact CG-CG2 4.33Å
592K92.4Very high87.9Confident129 Ų12972.5 Ų72.556%0.56136%0.357SS*.PPolyproline II helixtrans-99.2168162-67.3171.5-179.1-178.30110.5Q14 Q594 E595Q14-K592 VanDerWaalsContact NE2-CG 3.34Å; K592-Q594 PolarHBondContact O-N 3.38Å; K592-E595 HydrophobicContact CB-CB 4.17Å; K592-E595 WeakPolarHBondContact CB-OE2 3.02Å; K592-E595 PolarHBondContact N-OE2 3.48Å; K592-E595 WeakPolarHBondContact O-CB 3.37Å; K592-E595 PolarHBondContact O-N 2.74Å
593L91.3Very high86.9Confident92 Ų9269.9 Ų69.948%0.48235%0.35SS..THydrogen-bonded Turntrans-54128.7172.9-167.672.7000110.6V10 E595V10-L593 WeakPolarHBondContact O-CD1 3.3Å; L593-E595 PolarHBondContact O-N 2.78Å
594Q89.1Confident86.2Confident83 Ų8374.3 Ų74.339%0.38837%0.367SS..THydrogen-bonded Turntrans62.49.8-175.4-58.6179.68.800115.7A9 K592A9-Q594 WeakPolarHBondContact O-CA 3.49Å; A9-Q594 PolarHBondContact O-N 3.27Å; K592-Q594 PolarHBondContact O-N 3.38Å
595E92.9Very high85.6Confident84 Ų8468.6 Ų68.639%0.39335%0.345SS..  trans-77.5140.8172.4-169.2175.5175.100110.4T8 A9 P591 K592 L593T8-E595 WeakPolarHBondContact CA-O 3.36Å; A9-E595 PolarHBondContact N-O 3.33Å; A9-E595 VanDerWaalsContact N-O 3.09Å; P591-E595 HydrophobicContact CB-CB 4.43Å; K592-E595 HydrophobicContact CB-CB 4.17Å; K592-E595 WeakPolarHBondContact CB-OE2 3.02Å; K592-E595 PolarHBondContact N-OE2 3.48Å; K592-E595 WeakPolarHBondContact O-CB 3.37Å; K592-E595 PolarHBondContact O-N 2.74Å; L593-E595 PolarHBondContact O-N 2.78Å
596T93.6Very high85Confident69 Ų6970.3 Ų70.342%0.42334%0.343SS..EExtended strand (participates in β ladder)trans-104.9119.8172.6-58.20000109.3K6 L7 T8K6-T596 HydrophobicContact CB-CG2 4.02Å; L7-T596 CarbonylContact O-C 3.58Å; L7-T596 WeakPolarHBondContact O-CA 3.28Å; T8-T596 WeakPolarHBondContact CG2-OG1 3.26Å; T8-T596 WeakPolarHBondContact OG1-CG2 3.4Å; T8-T596 PolarHBondContact OG1-OG1 2.93Å
597V94.3Very high83.9Confident9 Ų976.5 Ų76.56%0.05537%0.372CS..EExtended strand (participates in β ladder)trans-92.7122.7174.4175.20000108.5K6 L7 V563 Y589 P591 A599K6-V597 WeakPolarHBondContact CA-O 3.33Å; L7-V597 PolarHBondContact N-O 3.3Å; L7-V597 PolarHBondContact O-N 3.4Å; V563-V597 HydrophobicContact CG2-CG1 4.38Å; Y589-V597 HydrophobicContact CD1-CG1 3.52Å; Y589-V597 HydrophobicContact CD2-CG1 4.07Å; Y589-V597 HydrophobicContact CE1-CG1 3.96Å; Y589-V597 HydrophobicContact CE2-CG1 4.49Å; Y589-V597 HydrophobicContact CG-CG1 3.56Å; P591-V597 HydrophobicContact CB-CG2 3.81Å; P591-V597 HydrophobicContact CG-CG2 4.33Å; V597-A599 PolarHBondContact O-N 3.36Å
598D92.1Very high83.3Confident81 Ų8174 Ų7443%0.43337%0.366SS..EExtended strand (participates in β ladder)trans-85.5105.8168.8-160.8-26.8000109.2K6 T600K6-D598 VanDerWaalsContact CE-OD2 3.3Å; K6-D598 WeakPolarHBondContact CE-OD2 3.43Å; D598-T600 WeakPolarHBondContact OD1-CB 3.29Å; D598-T600 PolarHBondContact OD1-N 2.97Å; D598-T600 PolarHBondContact OD1-OG1 3.15Å
599A88.8Confident82.6Confident0 Ų079 Ų790%038%0.383CS..  trans-99.816.1177.700000111.4I5 L197 Q561 V597 S601I5-A599 HydrophobicContact CG2-CB 4.33Å; I5-A599 CarbonylContact O-C 3.51Å; I5-A599 PolarHBondContact O-N 3.28Å; L197-A599 HydrophobicContact CD1-CB 4.09Å; L197-A599 HydrophobicContact CD2-CB 3.99Å; Q561-A599 VanDerWaalsContact CD-O 3.27Å; Q561-A599 PolarHBondContact NE2-O 3.35Å; Q561-A599 PolarHBondContact OE1-O 3.42Å; V597-A599 PolarHBondContact O-N 3.36Å; A599-S601 PolarHBondContact O-N 2.98Å
600T86.3Confident81.9Confident36 Ų3679.6 Ų79.622%0.22139%0.39CS..  trans-62.3130.8177.4-53.30000110.9S3 I5 D598S3-T600 VanDerWaalsContact O-CG2 3.28Å; S3-T600 WeakPolarHBondContact O-CG2 3.34Å; I5-T600 PolarHBondContact N-OG1 3.31Å; I5-T600 PolarHBondContact O-N 2.87Å; I5-T600 PolarHBondContact O-OG1 3.42Å; D598-T600 WeakPolarHBondContact OD1-CB 3.29Å; D598-T600 PolarHBondContact OD1-N 2.97Å; D598-T600 PolarHBondContact OD1-OG1 3.15Å
601S76.9Confident81.4Confident28 Ų2881.4 Ų81.420%0.19639%0.393CS..  trans-111.3125.8175.6-1800000109.6A599 T603A599-S601 PolarHBondContact O-N 2.98Å; S601-T603 PolarHBondContact O-N 3.49Å
602E66.1Low80.6Confident174 Ų17487.9 Ų87.981%0.81343%0.428SS*.  trans-75.270.6175-68.3178.3-175.900110.7
603T63.2Low79.9Confident50 Ų5084 Ų8431%0.30742%0.417SS..  trans-109.7100.5168.645.50000108S601 I605S601-T603 PolarHBondContact O-N 3.49Å; T603-I605 PolarHBondContact O-N 3.39Å
604H64.9Low79.3Confident120 Ų12079.8 Ų79.856%0.55640%0.395SS*.  trans-70.596.4171.7-64.4-59.1000109.2Y606H604-Y606 HydrophobicContact CB-CD2 4.33Å; H604-Y606 HydrophobicContact CB-CE2 3.49Å; H604-Y606 VanDerWaalsContact CB-CE2 3.49Å
605I64.4Low78.7Confident84 Ų8479 Ų7943%0.43140%0.396SS..  trans-91.5123.1173.8-55.3168.2000107.5G166 T603G166-I605 VanDerWaalsContact O-CD1 3.28Å; G166-I605 WeakPolarHBondContact O-CD1 3.15Å; G166-I605 WeakPolarHBondContact O-CG2 3.26Å; T603-I605 PolarHBondContact O-N 3.39Å
606Y69Low78Confident166 Ų16679.8 Ų79.865%0.65141%0.41SS*.  trans-118.7133.4174.6-57.3-79.4000108.4H604 V608H604-Y606 HydrophobicContact CB-CD2 4.33Å; H604-Y606 HydrophobicContact CB-CE2 3.49Å; H604-Y606 VanDerWaalsContact CB-CE2 3.49Å; Y606-V608 PolarHBondContact O-N 3.08Å
607Q67.4Low77.1Confident144 Ų14479.6 Ų79.667%0.67341%0.411SS*.  trans-81.2118.2172.6-169.9176.19.700109.1I702 P703Q607-I702 HydrophobicContact CG-CG2 4.36Å; Q607-P703 VanDerWaalsContact O-CD 3.32Å; Q607-P703 WeakPolarHBondContact O-CD 3.42Å; Q607-P703 WeakPolarHBondContact O-CG 3.32Å
608V78.2Confident76.3Confident61 Ų6180.5 Ų80.537%0.3742%0.416SS..  trans-118.2128.2174.9-175.50000108.7Y606 L635 P703 L705Y606-V608 PolarHBondContact O-N 3.08Å; V608-L635 HydrophobicContact CG1-CD2 3.71Å; V608-L635 HydrophobicContact CG2-CD2 4.07Å; V608-P703 WeakPolarHBondContact CA-O 3.42Å; V608-P703 HydrophobicContact CG2-CG 4.01Å; V608-L705 HydrophobicContact CG1-CB 4.17Å; V608-L705 HydrophobicContact CG1-CD1 3.87Å
609R79.8Confident75.3Confident126 Ų12684.6 Ų84.648%0.47543%0.432SS..EExtended strand (participates in β ladder)trans-91.5127.1176.4-174.3-178.8-64.9177.60.6110.2I702 P703 T704 L705R609-I702 HydrophobicContact CB-CG2 4.34Å; R609-P703 PolarHBondContact N-O 3.45Å; R609-T704 HydrophobicContact CB-CG2 4.3Å; R609-T704 CarbonylContact O-C 3.56Å; R609-T704 VanDerWaalsContact O-CA 3.26Å; R609-T704 WeakPolarHBondContact O-CA 3.28Å; R609-L705 PolarHBondContact O-N 3.22Å
610L82.1Confident74.6Confident79 Ų7990.2 Ų90.241%0.41446%0.457SS..EExtended strand (participates in β ladder)trans-77.4128.2171.5-58.7174.1000109.2L614 V615 L705L610-L614 HydrophobicContact CD2-CD2 3.84Å; L610-V615 HydrophobicContact CB-CG2 4Å; L610-L705 HydrophobicContact CD2-CB 3.91Å; L610-L705 HydrophobicContact CD2-CD2 4.06Å
611K81.7Confident73.7Confident93 Ų9390.9 Ų90.940%0.40446%0.463SS..PPolyproline II helixtrans-74.8143.7175.4-164.2174.7-173.5176.80110S613 L614 V615 L705 E706K611-S613 PolarHBondContact O-N 2.75Å; K611-S613 VanDerWaalsContact O-N 3.1Å; K611-L614 WeakPolarHBondContact O-CB 3.5Å; K611-L614 PolarHBondContact O-N 2.69Å; K611-V615 PolarHBondContact O-N 3.18Å; K611-L705 WeakPolarHBondContact CB-O 3.42Å; K611-L705 PolarHBondContact N-O 3.38Å; K611-E706 HydrophobicContact CD-CG 4.21Å; K611-E706 IonicContact NZ-OE1 3.68Å; K611-E706 PolarHBondContact NZ-OE1 3.34Å
612D77.4Confident73.1Confident138 Ų13896.9 Ų96.974%0.73849%0.485SS*.Hα-helixtrans-55.5-33.8-178.1-64.5-22000113.1L614 V615 S616D612-L614 VanDerWaalsContact C-N 3.31Å; D612-L614 PolarHBondContact O-N 2.99Å; D612-V615 PolarHBondContact O-N 2.89Å; D612-S616 WeakPolarHBondContact O-CB 3.23Å; D612-S616 PolarHBondContact O-N 2.77Å; D612-S616 PolarHBondContact O-OG 3.45Å
613S77.7Confident72.9Confident47 Ų4789.1 Ų89.133%0.32945%0.451SS..Hα-helixtrans-61.2-37.6175.355.60000112.9K611 S616 S617K611-S613 PolarHBondContact O-N 2.75Å; K611-S613 VanDerWaalsContact O-N 3.1Å; S613-S616 PolarHBondContact O-OG 2.83Å; S613-S617 PolarHBondContact O-N 2.89Å
614L78.5Confident73Confident4 Ų492 Ų922%0.02146%0.459CS..Hα-helixtrans-71.5-46.7176.8177.269.2000110.6L610 K611 D612 S616 S617 L618 I631 D632 L705 P707L610-L614 HydrophobicContact CD2-CD2 3.84Å; K611-L614 WeakPolarHBondContact O-CB 3.5Å; K611-L614 PolarHBondContact O-N 2.69Å; D612-L614 VanDerWaalsContact C-N 3.31Å; D612-L614 PolarHBondContact O-N 2.99Å; L614-S616 PolarHBondContact O-N 2.98Å; L614-S617 PolarHBondContact O-N 3Å; L614-S617 PolarHBondContact O-OG 3.27Å; L614-L618 PolarHBondContact O-N 2.77Å; L614-I631 HydrophobicContact CD1-CG2 4.4Å; L614-I631 HydrophobicContact CD2-CG2 3.88Å; L614-I631 HydrophobicContact CG-CG2 4.36Å; L614-D632 WeakPolarHBondContact CD1-O 3.45Å; L614-L705 HydrophobicContact CD2-CB 3.87Å; L614-L705 HydrophobicContact CD2-CD2 3.4Å; L614-L705 VanDerWaalsContact CD2-CD2 3.4Å; L614-L705 HydrophobicContact CD2-CG 4.13Å; L614-P707 HydrophobicContact CB-CB 4.47Å; L614-P707 HydrophobicContact CD1-CB 4Å
615V77.4Confident72.9Confident67 Ų6794.2 Ų94.241%0.40648%0.475SS..Hα-helixtrans-57.6-40.2178.2-179.40000110.8L610 K611 D612 S617 L618L610-V615 HydrophobicContact CB-CG2 4Å; K611-V615 PolarHBondContact O-N 3.18Å; D612-V615 PolarHBondContact O-N 2.89Å; V615-S617 VanDerWaalsContact C-N 3.25Å; V615-S617 PolarHBondContact O-N 2.96Å; V615-L618 PolarHBondContact O-N 3.48Å
616S78.2Confident72.9Confident100 Ų10094 Ų9470%0.69948%0.478SS*.Hα-helixtrans-68.9-19.317773.10000114.7D612 S613 L614D612-S616 WeakPolarHBondContact O-CB 3.23Å; D612-S616 PolarHBondContact O-N 2.77Å; D612-S616 PolarHBondContact O-OG 3.45Å; S613-S616 PolarHBondContact O-OG 2.83Å; L614-S616 PolarHBondContact O-N 2.98Å
617S75.1Confident73.2Confident64 Ų6492.4 Ų92.445%0.44848%0.476SS..Hα-helixtrans-90.1-9.3179.4710000113.9S613 L614 V615 Q619S613-S617 PolarHBondContact O-N 2.89Å; L614-S617 PolarHBondContact O-N 3Å; L614-S617 PolarHBondContact O-OG 3.27Å; V615-S617 VanDerWaalsContact C-N 3.25Å; V615-S617 PolarHBondContact O-N 2.96Å; S617-Q619 PolarHBondContact O-N 3.35Å
618L76.5Confident73.3Confident28 Ų2888.7 Ų88.715%0.14746%0.461CS..  trans-68.3126.2-177.9-62.7-178.2000111.4L614 V615 F620 A629 W630 I631L614-L618 PolarHBondContact O-N 2.77Å; V615-L618 PolarHBondContact O-N 3.48Å; L618-F620 HydrophobicContact CB-CD2 4.47Å; L618-F620 HydrophobicContact CB-CE2 3.87Å; L618-F620 HydrophobicContact CB-CZ 4.03Å; L618-F620 HydrophobicContact CD1-CZ 4.14Å; L618-A629 HydrophobicContact CB-CB 4Å; L618-A629 HydrophobicContact CD2-CB 4.48Å; L618-W630 WeakPolarHBondContact CD2-O 3.16Å; L618-I631 HydrophobicContact CD1-CD1 3.98Å; L618-I631 HydrophobicContact CD1-CG1 4.13Å; L618-I631 HydrophobicContact CD2-CB 4.3Å; L618-I631 HydrophobicContact CD2-CD1 4.4Å; L618-I631 HydrophobicContact CD2-CG1 3.7Å; L618-I631 HydrophobicContact CD2-CG2 4.38Å
619Q71.6Confident73.1Confident168 Ų16887.3 Ų87.379%0.78546%0.456SS*.  trans-93.7106.8172.1-66.1-172.4-4.800109.2S617 A629S617-Q619 PolarHBondContact O-N 3.35Å; Q619-A629 WeakPolarHBondContact O-CB 3.48Å
620F74.7Confident72.9Confident117 Ų11786.6 Ų86.651%0.51345%0.453SS..  trans-81.1120.5179-66.4-83.8000111.2L618 E627 L628 A629L618-F620 HydrophobicContact CB-CD2 4.47Å; L618-F620 HydrophobicContact CB-CE2 3.87Å; L618-F620 HydrophobicContact CB-CZ 4.03Å; L618-F620 HydrophobicContact CD1-CZ 4.14Å; F620-E627 HydrophobicContact CB-CB 4.34Å; F620-E627 HydrophobicContact CD1-CB 4.09Å; F620-L628 CarbonylContact C-O 3.58Å; F620-L628 WeakPolarHBondContact CA-O 3.32Å; F620-A629 HydrophobicContact CD1-CB 3.88Å; F620-A629 HydrophobicContact CE1-CB 4.02Å; F620-A629 HydrophobicContact CG-CB 4.37Å
621C67.7Low72.7Confident51 Ų5186.4 Ų86.435%0.34545%0.452SS..EExtended strand (participates in β ladder)trans-92.8127168.5-69.80000109.3A623 L628 V786C621-A623 PolarHBondContact O-N 3.02Å; C621-L628 PolarHBondContact N-O 2.93Å; C621-L628 PolarHBondContact O-N 3.15Å; C621-V786 HydrophobicContact CB-CG2 4.27Å
622K63.8Low72.4Confident153 Ų15384.4 Ų84.467%0.66545%0.446SS*.EExtended strand (participates in β ladder)trans-85.1110.3179.9-167.8174.1-173.2170.20110.6
623A61.1Low72.5Confident11 Ų1179 Ų799%0.09142%0.423CS..EExtended strand (participates in β ladder)trans-109.8103.1174.100000109.7C621 D625 T626 L628 I721C621-A623 PolarHBondContact O-N 3.02Å; A623-D625 PolarHBondContact O-N 3.48Å; A623-T626 CarbonylContact C-O 3.56Å; A623-T626 PolarHBondContact N-O 2.97Å; A623-T626 PolarHBondContact O-N 2.96Å; A623-T626 VanDerWaalsContact O-O 3.07Å; A623-T626 PolarHBondContact O-OG1 2.7Å; A623-L628 HydrophobicContact CB-CD1 4.14Å; A623-I721 HydrophobicContact CB-CD1 4.45Å
624K65.4Low72.7Confident112 Ų11280.4 Ų80.449%0.48743%0.429SS..THydrogen-bonded Turntrans53.2-104.7-175.8-62.8180177.81770112.8
625D63.2Low72.9Confident165 Ų16584.7 Ų84.788%0.88245%0.451SS*.THydrogen-bonded Turntrans-102.92.9-176.4-60.6-34.2000112.9A623A623-D625 PolarHBondContact O-N 3.48Å
626T63.7Low73Confident81 Ų8183.4 Ų83.450%0.49744%0.442SS..EExtended strand (participates in β ladder)trans-125.6146.3-176.651.30000111.8A623A623-T626 CarbonylContact C-O 3.56Å; A623-T626 PolarHBondContact N-O 2.97Å; A623-T626 PolarHBondContact O-N 2.96Å; A623-T626 VanDerWaalsContact O-O 3.07Å; A623-T626 PolarHBondContact O-OG1 2.7Å
627E75.4Confident72.8Confident131 Ų13184.5 Ų84.561%0.61244%0.438SS*.EExtended strand (participates in β ladder)trans-103137.1172.6-65.9-177.1170.800109.4F620F620-E627 HydrophobicContact CB-CB 4.34Å; F620-E627 HydrophobicContact CD1-CB 4.09Å
628L69.6Low72.1Confident67 Ų6791.9 Ų91.935%0.35146%0.456SS..EExtended strand (participates in β ladder)trans-135.7139.5-174.5-74.6163.4000110.6F620 C621 A623 I721 V786F620-L628 CarbonylContact C-O 3.58Å; F620-L628 WeakPolarHBondContact CA-O 3.32Å; C621-L628 PolarHBondContact N-O 2.93Å; C621-L628 PolarHBondContact O-N 3.15Å; A623-L628 HydrophobicContact CB-CD1 4.14Å; L628-I721 HydrophobicContact CD1-CD1 3.16Å; L628-V786 HydrophobicContact CB-CG2 4.48Å
629A75.6Confident71Confident32 Ų3292.7 Ų92.726%0.26446%0.462SS..  trans-138.1146.1176.300000109.9L618 Q619 F620L618-A629 HydrophobicContact CB-CB 4Å; L618-A629 HydrophobicContact CD2-CB 4.48Å; Q619-A629 WeakPolarHBondContact O-CB 3.48Å; F620-A629 HydrophobicContact CD1-CB 3.88Å; F620-A629 HydrophobicContact CE1-CB 4.02Å; F620-A629 HydrophobicContact CG-CB 4.37Å
630W74.9Confident69.8Low110 Ų11088.4 Ų88.442%0.41746%0.455SS..  trans-77.7138.1165.6-75.5106000109.6L618 H716 V719L618-W630 WeakPolarHBondContact CD2-O 3.16Å; W630-H716 AromaticContact CD1-CD2 3.95Å; W630-H716 HydrophobicContact CD2-CB 4.38Å; W630-H716 AromaticContact CD2-CG 3.95Å; W630-H716 AromaticContact CD2-ND1 3.81Å; W630-H716 AromaticContact CE3-ND1 3.89Å; W630-H716 HydrophobicContact CG-CB 4.48Å; W630-H716 AromaticContact CG-CD2 3.82Å; W630-H716 AromaticContact CG-CG 3.87Å; W630-H716 AromaticContact CG-ND1 4Å; W630-H716 AromaticContact CG-NE2 3.91Å; W630-V719 HydrophobicContact CH2-CG2 4.17Å; W630-V719 HydrophobicContact CZ2-CB 4.4Å; W630-V719 HydrophobicContact CZ2-CG2 3.76Å
631I76.9Confident68.1Low76 Ų7692.8 Ų92.839%0.3947%0.474SS..  trans-122112.2177.4-50-172.7000108.2L614 L618 L705L614-I631 HydrophobicContact CD1-CG2 4.4Å; L614-I631 HydrophobicContact CD2-CG2 3.88Å; L614-I631 HydrophobicContact CG-CG2 4.36Å; L618-I631 HydrophobicContact CD1-CD1 3.98Å; L618-I631 HydrophobicContact CD1-CG1 4.13Å; L618-I631 HydrophobicContact CD2-CB 4.3Å; L618-I631 HydrophobicContact CD2-CD1 4.4Å; L618-I631 HydrophobicContact CD2-CG1 3.7Å; L618-I631 HydrophobicContact CD2-CG2 4.38Å; I631-L705 HydrophobicContact CG2-CD2 3.92Å
632D76.6Confident66.7Low51 Ų5195.5 Ų95.527%0.27349%0.488SS..  trans-116134.3168.8-74.3-13.3000108.5L614 L708 H716L614-D632 WeakPolarHBondContact CD1-O 3.45Å; D632-L708 HydrophobicContact CB-CD1 3.96Å; D632-H716 VanDerWaalsContact CG-CE1 3.45Å; D632-H716 IonicContact OD1-CE1 3.53Å; D632-H716 PolarHBondContact OD1-CE1 2.8Å; D632-H716 IonicContact OD2-CE1 3.43Å; D632-H716 PolarHBondContact OD2-CE1 3.02Å; D632-H716 IonicContact OD2-NE2 2.66Å; D632-H716 PolarHBondContact OD2-NE2 3.25Å
633G79.1Confident65.3Low25 Ų2596 Ų9626%0.25850%0.499SS..EExtended strand (participates in β ladder)trans-162162.6176.100000113.4E706G633-E706 CarbonylContact C-O 3.48Å; G633-E706 WeakPolarHBondContact CA-O 3.3Å
634V81.8Confident64Low75 Ų75100 Ų10046%0.45552%0.522SS..EExtended strand (participates in β ladder)trans-91.8133.3173.3-177.40000108.7D636 E706 L708V634-D636 PolarHBondContact O-N 3.26Å; V634-E706 PolarHBondContact N-O 2.92Å; V634-E706 PolarHBondContact O-N 2.9Å; V634-L708 HydrophobicContact CG2-CD2 3.33Å; V634-L708 HydrophobicContact CG2-CG 3.73Å
635L82.6Confident62.6Low95 Ų9598.8 Ų98.850%0.49754%0.542SS..EExtended strand (participates in β ladder)trans-75.4115.9170.6-78.7159.1000109.4V608 P703 L705V608-L635 HydrophobicContact CG1-CD2 3.71Å; V608-L635 HydrophobicContact CG2-CD2 4.07Å; L635-P703 HydrophobicContact CD2-CB 3.95Å; L635-L705 HydrophobicContact CD2-CD1 3.8Å; L635-L705 HydrophobicContact CG-CD1 3.99Å
636D80.3Confident60.9Low39 Ų3996.1 Ų96.121%0.20953%0.531CS..EExtended strand (participates in β ladder)trans-95.4120.5165.7-170.68.1000110V634 R638 P703 T704 E706V634-D636 PolarHBondContact O-N 3.26Å; D636-R638 VanDerWaalsContact OD1-CB 3.25Å; D636-R638 WeakPolarHBondContact OD1-CB 3.36Å; D636-R638 VanDerWaalsContact OD1-CG 3.3Å; D636-R638 WeakPolarHBondContact OD1-CG 3.5Å; D636-R638 PolarHBondContact OD1-N 3.35Å; D636-P703 WeakPolarHBondContact O-CA 3.47Å; D636-T704 PolarHBondContact N-O 3.39Å; D636-T704 PolarHBondContact O-N 3.27Å; D636-E706 HydrophobicContact CB-CG 4.32Å
637M72.7Confident59.2Low124 Ų124101.3 Ų101.361%0.61155%0.552SS**  trans-96.810.9179.9-61-70.5-62.900112.1V701 P703M637-V701 WeakPolarHBondContact O-CG1 3.47Å; M637-P703 HydrophobicContact SD-CB 3.68Å; M637-P703 HydrophobicContact SD-CG 4.33Å
638R62Low57Low219 Ų219102.3 Ų102.383%0.82656%0.56SS**  trans-105.52.4-167.8-60.9175.1-176.6171.34.5115.5D636 A640D636-R638 VanDerWaalsContact OD1-CB 3.25Å; D636-R638 WeakPolarHBondContact OD1-CB 3.36Å; D636-R638 VanDerWaalsContact OD1-CG 3.3Å; D636-R638 WeakPolarHBondContact OD1-CG 3.5Å; D636-R638 PolarHBondContact OD1-N 3.35Å; R638-A640 PolarHBondContact O-N 2.9Å
639V52.6Low55.2Low44 Ų44108.7 Ų108.727%0.26759%0.589SS.*  trans-92.198.8-171.9-171.50000111.7V642 T704V639-V642 HydrophobicContact CG1-CG2 3.78Å; V639-T704 HydrophobicContact CG2-CG2 4.43Å
640A45.5Very low53Low78 Ų78115.8 Ų115.865%0.64562%0.616SS**  trans-85.5123.6159.400000109.2R638R638-A640 PolarHBondContact O-N 2.9Å
641K39.5Very low50.8Low210 Ų210114 Ų11491%0.91363%0.633SS**  trans41.8106.4169.9-73.4-177.5175.8178.40116.7
642V38.4Very low48.5Very low107 Ų107117.2 Ų117.265%0.64866%0.655SS**  trans-109.5124.3152.9-165.20000107.1V639 T644V639-V642 HydrophobicContact CG1-CG2 3.78Å; V642-T644 PolarHBondContact O-N 3.13Å; V642-T644 VanDerWaalsContact O-N 3.15Å
643D35Very low46.2Very low165 Ų165124.2 Ų124.288%0.88268%0.683SS**  trans-44114.3179.8-103.2-27.3000111.5G645D643-G645 PolarHBondContact O-N 2.78Å
644T34.1Very low43.7Very low93 Ų93132.1 Ų132.157%0.57171%0.713SS**  trans-76.6110.1165.246.30000107.4V642 V646V642-T644 PolarHBondContact O-N 3.13Å; V642-T644 VanDerWaalsContact O-N 3.15Å; T644-V646 PolarHBondContact O-N 3.14Å
645G34.2Very low41.1Very low88 Ų88137.8 Ų137.891%0.90774%0.735SS**  trans-65.755.116500000112.5D643D643-G645 PolarHBondContact O-N 2.78Å
646V28.5Very low38.5Very low109 Ų109138.1 Ų138.166%0.66175%0.751SS**  trans-105.8109.6169.5-179.70000105.6T644 L648T644-V646 PolarHBondContact O-N 3.14Å; V646-L648 PolarHBondContact O-N 3.45Å; V646-L648 VanDerWaalsContact O-N 3.08Å
647M28.6Very low36Very low189 Ų189145 Ų14593%0.93178%0.783SS**  trans-58.8111.1172.9-69.7-175.6138.800109
648L28.7Very low33.8Very low152 Ų152147.4 Ų147.480%0.79680%0.798SS**  trans-81.2115.7158.1-73.9164.9000106.3V646 E650V646-L648 PolarHBondContact O-N 3.45Å; V646-L648 VanDerWaalsContact O-N 3.08Å; L648-E650 PolarHBondContact O-N 3.36Å
649E32.2Very low32.2Very low202 Ų202140.2 Ų140.294%0.94479%0.791SS**  trans-64.699.4163.8-77.9-175.1156.500107.8
650E29.5Very low30.9Very low180 Ų180147.5 Ų147.584%0.84182%0.823SS**PPolyproline II helixtrans-88138.1164.2-76.1-164.8156.200110.3L648L648-E650 PolarHBondContact O-N 3.36Å
651G28.5Very low30Very low74 Ų74150.2 Ų150.276%0.76383%0.831SS**PPolyproline II helixtrans-59.2144.3-169.500000114.7K653G651-K653 PolarHBondContact O-N 3.27Å
652V27.9Very low29.8Very low143 Ų143145.2 Ų145.287%0.86782%0.82SS**PPolyproline II helixtrans-46.4117.5169.6-178.40000110.8
653K27.9Very low29.2Very low198 Ų198147.9 Ų147.986%0.86183%0.827SS**  trans-117.8125.3152.1-84.1-174176.1179.30107.9G651G651-K653 PolarHBondContact O-N 3.27Å
654E26.7Very low28.8Very low190 Ų190146.5 Ų146.589%0.88882%0.82SS**  trans-61127.7177.5-64.9172.7147.900110.5
655E26.8Very low28.5Very low194 Ų194149.1 Ų149.191%0.90784%0.836SS**  trans-107.9122.3157.7-76.4-168160.600108.4
656A28Very low28.3Very low102 Ų102149.4 Ų149.484%0.84383%0.83SS**  trans-71.8143.2168.600000110
657E27.9Very low29.4Very low185 Ų185149.7 Ų149.786%0.86483%0.834SS**  trans-51.7143.5177.9-64.1173.4133.500113.2
658D27.8Very low29.3Very low174 Ų174148.8 Ų148.893%0.9383%0.827SS**  trans-148.5112.5130.3-97.1-27.4000108.9
659G27Very low29.3Very low67 Ų67149.2 Ų149.269%0.69183%0.829SS**  trans-86.9140.7168.200000110.1
660E27Very low29Very low198 Ų198142.8 Ų142.893%0.92582%0.817SS**  -174.8127.9129.6-100.8175.6-16900110.6
661V25.1Very low29Very low134 Ų134142.2 Ų142.281%0.81282%0.819SS**  trans-100.8149.8166.2-159.70000103.4
662P36.8Very low29.1Very low105 Ų105145.4 Ų145.468%0.68282%0.818SS**  cis-161.9-175.348.743-18.9000119.9
663M26Very low29.2Very low164 Ų164146.7 Ų146.781%0.80881%0.814SS**  trans103110.5140-93.1178.5-177.500120.9
664D26.3Very low29.2Very low136 Ų136143.8 Ų143.873%0.72781%0.808SS**  40120.1123.7-75.7-18.4000120.1
665T27.5Very low29.2Very low147 Ų147139.2 Ų139.290%0.90280%0.803SS**  -179.3157.196.528.70000112.1
666A30.6Very low29.4Very low95 Ų95137 Ų13779%0.78580%0.802SS**  trans-82.6-172.6-165.700000113.3
667P50.3Low29.5Very low114 Ų114136.7 Ų136.774%0.7480%0.8SS**  trans-99.8171.3-143.842.5-37.1000113.8
668E27.2Very low29.7Very low171 Ų171135.4 Ų135.480%0.79981%0.805SS**  trans176.1130.3132.7-98.6179.7-179.700114.8
669L27.8Very low30.1Very low160 Ų160131.7 Ų131.784%0.83880%0.798SS**  trans45.7123.8132.2-63.5162.6000122.3
670G26.7Very low30.5Very low67 Ų67132.8 Ų132.869%0.69180%0.801SS**  132.2103.5119.500000120.5
671I30.3Very low30.8Very low169 Ų169132.8 Ų132.887%0.86780%0.801SS**  trans77.7116.8133.6-50173000121.2
672D29Very low31.2Very low141 Ų141138.5 Ų138.575%0.75481%0.808SS**  trans2.2133.7152-73.4-25.9000123
673H30.3Very low31.2Very low169 Ų169137.9 Ų137.978%0.78281%0.811SS**  -176.1143.1100.2-105.5-63.7000115
674N27.9Very low31.4Very low138 Ų138139.4 Ų139.474%0.73882%0.819SS**  trans79.794.5149.4-74.1-3.8000122.1
675A27.8Very low31.6Very low93 Ų93142.5 Ų142.577%0.76983%0.826SS**  13.7103.8117.500000118.4
676T29.1Very low31.7Very low147 Ų147142.9 Ų142.990%0.90282%0.823SS**  -169.5145.7122.4-0.30000109.5
677A31.2Very low32Very low97 Ų97145.7 Ų145.780%0.80282%0.824SS**  trans94.536.3170.100000119.6
678V32.9Very low31Very low157 Ų157150.3 Ų150.395%0.95283%0.832SS**  trans-109.368.9152.5-173.20000108.7
679A34.9Very low31Very low97 Ų97146 Ų14680%0.80283%0.834SS**SBendtrans-159.846.317400000111.3
680A36.1Very low31.3Very low90 Ų90147.2 Ų147.274%0.74484%0.836SS**SBendtrans-172.176.716700000111.4
681Q33.1Very low31.5Very low198 Ų198151.3 Ų151.393%0.92584%0.842SS**SBendtrans178.749.7151.6-104.2169.3-1.400112.9
682R33.5Very low31.7Very low253 Ų253151.8 Ų151.896%0.95584%0.84SS**SBendtrans-147.136.1168.6-136.4178-169.2165.73.1115
683A35.7Very low31.7Very low92 Ų92155.3 Ų155.376%0.7685%0.849SS**  trans-152.986.4170.200000109.7
684M31.6Very low31.9Very low196 Ų196156.5 Ų156.597%0.96686%0.855SS**  trans177.277.2152.4-97.9-163.1-151.400109.5
685K29.9Very low32Very low202 Ų202158.5 Ų158.588%0.87886%0.862SS**  trans-164.439.3149.9-137.2178.3-179.3-1770113.1
686N29.7Very low32.2Very low155 Ų155159.4 Ų159.483%0.82986%0.862SS**  trans-113.1102156.7-80.34.3000105.7
687L36.4Very low32.5Very low154 Ų154161.8 Ų161.881%0.80686%0.863SS**  trans-179.9127.3160.4-94.3146.4000106.5
688F30.5Very low32.6Very low210 Ų210165.9 Ų165.992%0.92187%0.866SS**SBendtrans99.898.1178.1-54.8-69.1000117.4
689G27.5Very low33Very low82 Ų82162.8 Ų162.885%0.84585%0.851SS**  trans123.688.1136.100000116.7
690E33.6Very low33.7Very low185 Ų185165.7 Ų165.786%0.86485%0.853SS**  trans-71.6134.9150.9-70.6173.9154.400108.3
691D29.6Very low35Very low152 Ų152164.3 Ų164.381%0.81384%0.836SS**  178127.4127.6-86-23.9000111.9
692E35.6Very low36.8Very low180 Ų180157.4 Ų157.484%0.84180%0.804SS**  trans58.991.5152.3-58.9-169.8163.800120.4
693K28.9Very low39Very low215 Ų215146.1 Ų146.194%0.93576%0.764SS**  trans-161.467.1143.8-112.7178.5-173.3-176.20111.2
694E33.3Very low41.3Very low193 Ų193142.6 Ų142.690%0.90273%0.733SS**  trans-111.998.1159.9-78.9-167.3168.200108.5
695M30.8Very low43.7Very low181 Ų181134.6 Ų134.689%0.89269%0.694SS**  trans-171.6131145.7-107.7175.96300109.5
696S31.3Very low46.2Very low111 Ų111127.8 Ų127.878%0.77667%0.665SS**  trans82.471.9167.771.60000119.5
697E36.7Very low48.4Very low197 Ų197123 Ų12392%0.92164%0.642SS**  trans-139.871.6137.4-73.6-165.2174.600108.4S699E697-S699 PolarHBondContact O-N 3.46Å; E697-S699 VanDerWaalsContact O-N 3.13Å
698E33.9Very low50.3Low184 Ų184117.6 Ų117.686%0.8661%0.614SS**  trans-72.997.5159.9-82.3-173.3161.600107D700E698-D700 PolarHBondContact O-N 2.89Å
699S41.5Very low52.2Low91 Ų91110.5 Ų110.564%0.63659%0.589SS**  trans-64.9118.1165.958.20000108.5E697 V701E697-S699 PolarHBondContact O-N 3.46Å; E697-S699 VanDerWaalsContact O-N 3.13Å; S699-V701 PolarHBondContact O-N 3.24Å
700D48.5Very low53.9Low158 Ų158112.3 Ų112.385%0.84559%0.586SS**  trans-56.2101.9172.9-81.2-38.4000110.2E698 I702E698-D700 PolarHBondContact O-N 2.89Å; D700-I702 PolarHBondContact O-N 2.91Å; D700-I702 VanDerWaalsContact O-N 3.15Å
701V62.6Low55.2Low62 Ų62109.7 Ų109.738%0.37658%0.583SS.*  trans-74.5103.5172.3-178.60000107.4M637 S699 P703M637-V701 WeakPolarHBondContact O-CG1 3.47Å; S699-V701 PolarHBondContact O-N 3.24Å; V701-P703 VanDerWaalsContact O-CD 3.23Å; V701-P703 WeakPolarHBondContact O-CD 3.3Å
702I71.6Confident56.8Low52 Ų52108.6 Ų108.627%0.26757%0.573SS.*  trans-74.8114.7175.7-57.3174.8000108.2Q607 R609 D700Q607-I702 HydrophobicContact CG-CG2 4.36Å; R609-I702 HydrophobicContact CB-CG2 4.34Å; D700-I702 PolarHBondContact O-N 2.91Å; D700-I702 VanDerWaalsContact O-N 3.15Å
703P80.3Confident58.1Low17 Ų17103.4 Ų103.411%0.1155%0.55CS.*  trans-63143.6178.524.1-33.8000112.2Q607 V608 R609 L635 D636 M637 V701Q607-P703 VanDerWaalsContact O-CD 3.32Å; Q607-P703 WeakPolarHBondContact O-CD 3.42Å; Q607-P703 WeakPolarHBondContact O-CG 3.32Å; V608-P703 WeakPolarHBondContact CA-O 3.42Å; V608-P703 HydrophobicContact CG2-CG 4.01Å; R609-P703 PolarHBondContact N-O 3.45Å; L635-P703 HydrophobicContact CD2-CB 3.95Å; D636-P703 WeakPolarHBondContact O-CA 3.47Å; M637-P703 HydrophobicContact SD-CB 3.68Å; M637-P703 HydrophobicContact SD-CG 4.33Å; V701-P703 VanDerWaalsContact O-CD 3.23Å; V701-P703 WeakPolarHBondContact O-CD 3.3Å
704T82.9Confident59.7Low17 Ų1797.5 Ų97.510%0.10454%0.536CS..EExtended strand (participates in β ladder)trans-109.1138.4174.553.90000111.1R609 D636 V639R609-T704 HydrophobicContact CB-CG2 4.3Å; R609-T704 CarbonylContact O-C 3.56Å; R609-T704 VanDerWaalsContact O-CA 3.26Å; R609-T704 WeakPolarHBondContact O-CA 3.28Å; D636-T704 PolarHBondContact N-O 3.39Å; D636-T704 PolarHBondContact O-N 3.27Å; V639-T704 HydrophobicContact CG2-CG2 4.43Å
705L83.8Confident61Low28 Ų2892 Ų9215%0.14753%0.531CS..EExtended strand (participates in β ladder)trans-90.1118.7173.7-140.798000110V608 R609 L610 K611 L614 I631 L635V608-L705 HydrophobicContact CG1-CB 4.17Å; V608-L705 HydrophobicContact CG1-CD1 3.87Å; R609-L705 PolarHBondContact O-N 3.22Å; L610-L705 HydrophobicContact CD2-CB 3.91Å; L610-L705 HydrophobicContact CD2-CD2 4.06Å; K611-L705 WeakPolarHBondContact CB-O 3.42Å; K611-L705 PolarHBondContact N-O 3.38Å; L614-L705 HydrophobicContact CD2-CB 3.87Å; L614-L705 HydrophobicContact CD2-CD2 3.4Å; L614-L705 VanDerWaalsContact CD2-CD2 3.4Å; L614-L705 HydrophobicContact CD2-CG 4.13Å; I631-L705 HydrophobicContact CG2-CD2 3.92Å; L635-L705 HydrophobicContact CD2-CD1 3.8Å; L635-L705 HydrophobicContact CG-CD1 3.99Å
706E81.1Confident62.7Low60 Ų6086.2 Ų86.228%0.2850%0.501SS..EExtended strand (participates in β ladder)trans-102.3148177.8-59.7-155.3134.800111.9K611 G633 V634 D636 L708K611-E706 HydrophobicContact CD-CG 4.21Å; K611-E706 IonicContact NZ-OE1 3.68Å; K611-E706 PolarHBondContact NZ-OE1 3.34Å; G633-E706 CarbonylContact C-O 3.48Å; G633-E706 WeakPolarHBondContact CA-O 3.3Å; V634-E706 PolarHBondContact N-O 2.92Å; V634-E706 PolarHBondContact O-N 2.9Å; D636-E706 HydrophobicContact CB-CG 4.32Å; E706-L708 PolarHBondContact O-N 3.07Å
707P76.9Confident64.1Low53 Ų5389.1 Ų89.134%0.34450%0.503SS..EExtended strand (participates in β ladder)trans-65.9133.1178.726.6-32000111.9L614L614-P707 HydrophobicContact CB-CB 4.47Å; L614-P707 HydrophobicContact CD1-CB 4Å
708L75.4Confident65.3Low41 Ų4182.4 Ų82.422%0.21548%0.477CS..PPolyproline II helixtrans-71.7144.5171.7-87157.8000110.9D632 V634 E706 E712 I713D632-L708 HydrophobicContact CB-CD1 3.96Å; V634-L708 HydrophobicContact CG2-CD2 3.33Å; V634-L708 HydrophobicContact CG2-CG 3.73Å; E706-L708 PolarHBondContact O-N 3.07Å; L708-E712 HydrophobicContact CD2-CB 4.15Å; L708-E712 WeakPolarHBondContact CD2-OE2 3.38Å; L708-I713 HydrophobicContact CB-CG1 4.19Å
709P69.6Low66.8Low62 Ų6276.9 Ų76.940%0.40346%0.456SS..PPolyproline II helixtrans-59.2142.4169.2-19.230.8000110.6T711 E712P709-T711 PolarHBondContact O-N 2.77Å; P709-E712 PolarHBondContact O-N 2.72Å
710P63.5Low67.9Low119 Ų11975.4 Ų75.477%0.77344%0.438SS*.THydrogen-bonded Turntrans-56.8-17.1-178.2-23.631.4000115.1
711T61.3Low68.4Low130 Ų13070 Ų7080%0.79841%0.409SS*.THydrogen-bonded Turntrans-79.4-17.8178.746.70000114.1P709P709-T711 PolarHBondContact O-N 2.77Å
712E63.1Low68.2Low129 Ų12971 Ų7160%0.60341%0.412SS*.THydrogen-bonded Turntrans-108.6-6-176.5-67.4-178.817500113.1L708 P709 S714L708-E712 HydrophobicContact CD2-CB 4.15Å; L708-E712 WeakPolarHBondContact CD2-OE2 3.38Å; P709-E712 PolarHBondContact O-N 2.72Å; E712-S714 PolarHBondContact O-N 2.9Å; E712-S714 VanDerWaalsContact O-N 3.15Å
713I64.3Low67.8Low72 Ų7274.9 Ų74.937%0.36943%0.429SS..  trans-72.1106.6174.3-57.6176.2000108L708 G715L708-I713 HydrophobicContact CB-CG1 4.19Å; I713-G715 PolarHBondContact O-N 3Å
714S60.8Low67.2Low90 Ų9074.6 Ų74.663%0.62943%0.427SS*.PPolyproline II helixtrans-63.3130.3168.9450000109.4E712 H716E712-S714 PolarHBondContact O-N 2.9Å; E712-S714 VanDerWaalsContact O-N 3.15Å; S714-H716 PolarHBondContact O-N 3.13Å; S714-H716 VanDerWaalsContact O-N 3.15Å
715G61.2Low66.8Low77 Ų7781 Ų8179%0.79445%0.449SS*.PPolyproline II helixtrans-53.4122.5178.600000111.5I713I713-G715 PolarHBondContact O-N 3Å
716H66.2Low66.4Low60 Ų6080.7 Ų80.728%0.27845%0.448SS..PPolyproline II helixtrans-64.5142.1178.8-58.7-69.3000110.3W630 D632 S714 S718W630-H716 AromaticContact CD1-CD2 3.95Å; W630-H716 HydrophobicContact CD2-CB 4.38Å; W630-H716 AromaticContact CD2-CG 3.95Å; W630-H716 AromaticContact CD2-ND1 3.81Å; W630-H716 AromaticContact CE3-ND1 3.89Å; W630-H716 HydrophobicContact CG-CB 4.48Å; W630-H716 AromaticContact CG-CD2 3.82Å; W630-H716 AromaticContact CG-CG 3.87Å; W630-H716 AromaticContact CG-ND1 4Å; W630-H716 AromaticContact CG-NE2 3.91Å; D632-H716 VanDerWaalsContact CG-CE1 3.45Å; D632-H716 IonicContact OD1-CE1 3.53Å; D632-H716 PolarHBondContact OD1-CE1 2.8Å; D632-H716 IonicContact OD2-CE1 3.43Å; D632-H716 PolarHBondContact OD2-CE1 3.02Å; D632-H716 IonicContact OD2-NE2 2.66Å; D632-H716 PolarHBondContact OD2-NE2 3.25Å; S714-H716 PolarHBondContact O-N 3.13Å; S714-H716 VanDerWaalsContact O-N 3.15Å; H716-S718 PolarHBondContact O-N 3.49Å
717Q60.5Low66.3Low173 Ų17380.7 Ų80.781%0.80846%0.455SS*.PPolyproline II helixtrans-70.8131.9167.3-71.7-172.2-2.900108.3V719Q717-V719 PolarHBondContact O-N 3Å; Q717-V719 VanDerWaalsContact O-N 3.11Å
718S62.8Low66.4Low55 Ų5581.1 Ų81.139%0.38545%0.454SS..PPolyproline II helixtrans-60.5116.8176.260.20000109.9H716 V786H716-S718 PolarHBondContact O-N 3.49Å; S718-V786 CarbonylContact C-O 3.44Å; S718-V786 VanDerWaalsContact CA-O 3.27Å; S718-V786 WeakPolarHBondContact CA-O 3.46Å
719V64.9Low66.6Low68 Ų6879.2 Ų79.241%0.41244%0.444SS..EExtended strand (participates in β ladder)trans-100125.5179.6176.30000108.9W630 Q717 A785 V786W630-V719 HydrophobicContact CH2-CG2 4.17Å; W630-V719 HydrophobicContact CZ2-CB 4.4Å; W630-V719 HydrophobicContact CZ2-CG2 3.76Å; Q717-V719 PolarHBondContact O-N 3Å; Q717-V719 VanDerWaalsContact O-N 3.11Å; V719-A785 WeakPolarHBondContact O-CA 3.05Å; V719-V786 PolarHBondContact N-O 2.69Å; V719-V786 PolarHBondContact O-N 2.72Å
720F64.6Low67.2Low61 Ų6179 Ų7927%0.26844%0.437SS..EExtended strand (participates in β ladder)trans-79.3127.4172.3-76.5-86.1000110.4L780 Y781 Y784 A785F720-L780 HydrophobicContact CE1-CD2 3.92Å; F720-L780 HydrophobicContact CZ-CD2 4.15Å; F720-Y781 HydrophobicContact CZ-CE1 4.22Å; F720-Y784 CarbonylContact C-O 3.54Å; F720-Y784 WeakPolarHBondContact CA-O 3.41Å; F720-Y784 WeakPolarHBondContact CD1-O 3.38Å; F720-A785 HydrophobicContact CD1-CB 4.02Å; F720-A785 HydrophobicContact CE1-CB 3.97Å; F720-A785 HydrophobicContact CZ-CB 4.47Å
721I60.1Low68.1Low43 Ų4379.7 Ų79.722%0.22143%0.43CS..PPolyproline II helixtrans-102.5123.8179.4-54.6-175.7000108.1A623 L628 Y784 V786A623-I721 HydrophobicContact CB-CD1 4.45Å; L628-I721 HydrophobicContact CD1-CD1 3.16Å; I721-Y784 PolarHBondContact N-O 3.42Å; I721-V786 HydrophobicContact CD1-CB 4.42Å; I721-V786 HydrophobicContact CD1-CG2 3.36Å; I721-V786 HydrophobicContact CG1-CG2 4.25Å
722N57.8Low69Low84 Ų8475 Ų7545%0.44940%0.401SS..SBendtrans76.3155.9-169.2-46.9-69.4000113.8P724N722-P724 VanDerWaalsContact O-CD 3.23Å; N722-P724 WeakPolarHBondContact O-CD 3.46Å
723E63Low69.9Low134 Ų13468.9 Ų68.963%0.62637%0.372SS*.  trans-66.1116166.3-68.9-167.9150.800109.1R725E723-R725 PolarHBondContact O-N 2.97Å
724P67.1Low70.8Confident10 Ų1069.9 Ų69.97%0.06538%0.378CS..  trans-73.3106.1-175.731.2-35.7000109.5N722 I763 Y784N722-P724 VanDerWaalsContact O-CD 3.23Å; N722-P724 WeakPolarHBondContact O-CD 3.46Å; P724-I763 HydrophobicContact CB-CD1 3.38Å; P724-I763 HydrophobicContact CB-CG1 4.45Å; P724-I763 HydrophobicContact CG-CD1 3.37Å; P724-I763 HydrophobicContact CG-CG1 3.92Å; P724-Y784 HydrophobicContact CB-CD1 4.04Å; P724-Y784 HydrophobicContact CB-CE1 4.43Å; P724-Y784 HydrophobicContact CB-CG 4.17Å
725R74.1Confident71.9Confident151 Ų15175.2 Ų75.257%0.5738%0.384SS*.  trans-85.1113.1175.3-66.5-174.6-178.8-155.90.4109.3E723 S727 D728 F729E723-R725 PolarHBondContact O-N 2.97Å; R725-S727 PolarHBondContact O-N 3.05Å; R725-S727 VanDerWaalsContact O-N 3.09Å; R725-D728 HydrophobicContact CB-CB 4.31Å; R725-D728 PolarHBondContact O-N 3.18Å; R725-F729 PolarHBondContact O-N 3.16Å; R725-F729 VanDerWaalsContact O-N 3.17Å
726L76.6Confident72.8Confident22 Ų2275.9 Ų75.912%0.11537%0.367CS..Hα-helixtrans-58.4-24.4178.1-64.6175.1000112.7K730 F742 V755 I763L726-K730 WeakPolarHBondContact O-CB 3.34Å; L726-K730 PolarHBondContact O-N 3.36Å; L726-F742 HydrophobicContact CB-CE1 3.8Å; L726-F742 HydrophobicContact CB-CZ 3.72Å; L726-F742 HydrophobicContact CD1-CE1 4.37Å; L726-V755 HydrophobicContact CD2-CG1 3.79Å; L726-I763 HydrophobicContact CD2-CD1 4.36Å
727S78.2Confident73.5Confident61 Ų6176.1 Ų76.143%0.42739%0.385SS..Hα-helixtrans-63.5-41173.353.10000112.8R725 Q731R725-S727 PolarHBondContact O-N 3.05Å; R725-S727 VanDerWaalsContact O-N 3.09Å; S727-Q731 PolarHBondContact O-N 3.04Å
728D80.1Confident74.6Confident61 Ų6168 Ų6833%0.32635%0.347SS..Hα-helixtrans-78.1-39.8-176-57.5-1000108.9R725 K730 Q731 V732 Y784R725-D728 HydrophobicContact CB-CB 4.31Å; R725-D728 PolarHBondContact O-N 3.18Å; D728-K730 VanDerWaalsContact C-N 3.32Å; D728-K730 PolarHBondContact O-N 3.18Å; D728-Q731 WeakPolarHBondContact O-CB 3.29Å; D728-Q731 PolarHBondContact O-N 2.94Å; D728-Q731 VanDerWaalsContact O-N 3.11Å; D728-V732 PolarHBondContact O-N 3.05Å; D728-Y784 WeakPolarHBondContact CB-OH 3.45Å
729F80.1Confident75.5Confident2 Ų272.3 Ų72.31%0.00936%0.361CS..Hα-helixtrans-62.6-37.7174.1-170.2-125.7000112.2R725 Q731 V732 L733 L747 V755 I776 L779 L780 Y784R725-F729 PolarHBondContact O-N 3.16Å; R725-F729 VanDerWaalsContact O-N 3.17Å; F729-Q731 VanDerWaalsContact C-N 3.27Å; F729-Q731 PolarHBondContact O-N 3.3Å; F729-V732 PolarHBondContact O-N 3.44Å; F729-V732 VanDerWaalsContact O-N 3.11Å; F729-L733 HydrophobicContact CD1-CD1 3.75Å; F729-L733 HydrophobicContact CD1-CG 4.26Å; F729-L733 HydrophobicContact CE1-CD1 3.58Å; F729-L733 HydrophobicContact CE1-CD2 4.16Å; F729-L733 HydrophobicContact CE1-CG 3.99Å; F729-L733 HydrophobicContact CE2-CD2 4.36Å; F729-L733 HydrophobicContact CE2-CG 4.33Å; F729-L733 HydrophobicContact CG-CD1 4.42Å; F729-L733 HydrophobicContact CZ-CD1 4.12Å; F729-L733 HydrophobicContact CZ-CD2 3.86Å; F729-L733 HydrophobicContact CZ-CG 4.03Å; F729-L733 WeakPolarHBondContact O-CG 3.33Å; F729-L733 PolarHBondContact O-N 2.89Å; F729-L747 HydrophobicContact CD1-CD2 3.92Å; F729-V755 HydrophobicContact CE1-CG2 4.36Å; F729-I776 HydrophobicContact CE1-CG2 4.1Å; F729-I776 HydrophobicContact CZ-CG2 4.05Å; F729-L779 HydrophobicContact CE2-CB 4.16Å; F729-L779 HydrophobicContact CZ-CB 4.46Å; F729-L780 HydrophobicContact CD1-CD1 4Å; F729-L780 HydrophobicContact CE1-CB 4.4Å; F729-L780 HydrophobicContact CE1-CD1 3.59Å; F729-L780 HydrophobicContact CE2-CB 4Å; F729-L780 HydrophobicContact CE2-CD1 4.25Å; F729-L780 HydrophobicContact CG-CD1 4.49Å; F729-L780 HydrophobicContact CZ-CB 3.68Å; F729-L780 HydrophobicContact CZ-CD1 3.73Å; F729-L780 HydrophobicContact CZ-CG 4.27Å; F729-Y784 HydrophobicContact CB-CE2 3.94Å; F729-Y784 HydrophobicContact CD2-CD2 4.38Å; F729-Y784 AromaticContact CD2-CE2 3.77Å; F729-Y784 HydrophobicContact CD2-CE2 3.77Å; F729-Y784 HydrophobicContact CG-CE2 4.16Å; F729-Y784 PolarHBondContact N-OH 3.12Å
730K81.8Confident76.4Confident58 Ų5869.3 Ų69.325%0.25234%0.343SS..Hα-helixtrans-56.5-39.8172.2174.3171.2170.7155.20112.4L726 D728 V732 L733 L734 A740 F742 L747L726-K730 WeakPolarHBondContact O-CB 3.34Å; L726-K730 PolarHBondContact O-N 3.36Å; D728-K730 VanDerWaalsContact C-N 3.32Å; D728-K730 PolarHBondContact O-N 3.18Å; K730-V732 VanDerWaalsContact C-N 3.32Å; K730-L733 PolarHBondContact O-N 3.49Å; K730-L734 HydrophobicContact CG-CD1 4.06Å; K730-L734 WeakPolarHBondContact O-CB 3.49Å; K730-L734 VanDerWaalsContact O-CG 3.31Å; K730-L734 WeakPolarHBondContact O-CG 3.43Å; K730-L734 PolarHBondContact O-N 2.88Å; K730-A740 WeakPolarHBondContact CE-O 3.49Å; K730-A740 HydrophobicContact CG-CB 4.12Å; K730-A740 PolarHBondContact NZ-O 3.45Å; K730-F742 HydrophobicContact CB-CE2 4.38Å; K730-F742 HydrophobicContact CD-CD2 3.94Å; K730-F742 HydrophobicContact CD-CE2 3.77Å; K730-L747 HydrophobicContact CB-CD1 3.92Å; K730-L747 HydrophobicContact CB-CD2 4.22Å; K730-L747 HydrophobicContact CD-CD1 4.04Å; K730-L747 HydrophobicContact CG-CD1 4.19Å
731Q80.8Confident77.4Confident132 Ų13272.4 Ų72.462%0.61736%0.359SS*.Hα-helixtrans-67.2-35.5178-66.1-171.3-6.900112.2S727 D728 F729 R735S727-Q731 PolarHBondContact O-N 3.04Å; D728-Q731 WeakPolarHBondContact O-CB 3.29Å; D728-Q731 PolarHBondContact O-N 2.94Å; D728-Q731 VanDerWaalsContact O-N 3.11Å; F729-Q731 VanDerWaalsContact C-N 3.27Å; F729-Q731 PolarHBondContact O-N 3.3Å; Q731-R735 PolarHBondContact O-N 2.86Å; Q731-R735 VanDerWaalsContact O-N 3.1Å
732V80.8Confident78.6Confident32 Ų3274.9 Ų74.919%0.19437%0.368CS..Hα-helixtrans-68.9-44.2176.11740000111.3D728 F729 K730 L734 R735 E736 Q783D728-V732 PolarHBondContact O-N 3.05Å; F729-V732 PolarHBondContact O-N 3.44Å; F729-V732 VanDerWaalsContact O-N 3.11Å; K730-V732 VanDerWaalsContact C-N 3.32Å; V732-L734 VanDerWaalsContact C-N 3.33Å; V732-L734 PolarHBondContact O-N 3.4Å; V732-R735 WeakPolarHBondContact O-CB 3.49Å; V732-R735 PolarHBondContact O-N 3.16Å; V732-R735 VanDerWaalsContact O-N 3.15Å; V732-E736 PolarHBondContact O-N 2.84Å; V732-E736 VanDerWaalsContact O-N 3.1Å; V732-Q783 VanDerWaalsContact CG2-NE2 3.29Å
733L82.8Confident79.6Confident0 Ų075.2 Ų75.20%037%0.373CS..Hα-helixtrans-59.7-42.5175.1-69.1171.7000112.4F729 K730 R735 E736 G737 I738 A740 L747 C749 I776 L779F729-L733 HydrophobicContact CD1-CD1 3.75Å; F729-L733 HydrophobicContact CD1-CG 4.26Å; F729-L733 HydrophobicContact CE1-CD1 3.58Å; F729-L733 HydrophobicContact CE1-CD2 4.16Å; F729-L733 HydrophobicContact CE1-CG 3.99Å; F729-L733 HydrophobicContact CE2-CD2 4.36Å; F729-L733 HydrophobicContact CE2-CG 4.33Å; F729-L733 HydrophobicContact CG-CD1 4.42Å; F729-L733 HydrophobicContact CZ-CD1 4.12Å; F729-L733 HydrophobicContact CZ-CD2 3.86Å; F729-L733 HydrophobicContact CZ-CG 4.03Å; F729-L733 WeakPolarHBondContact O-CG 3.33Å; F729-L733 PolarHBondContact O-N 2.89Å; K730-L733 PolarHBondContact O-N 3.49Å; L733-R735 VanDerWaalsContact C-N 3.32Å; L733-R735 PolarHBondContact O-N 2.7Å; L733-E736 CarbonylContact O-C 3.56Å; L733-E736 PolarHBondContact O-N 3.23Å; L733-G737 PolarHBondContact O-N 2.88Å; L733-I738 CarbonylContact C-O 3.59Å; L733-I738 HydrophobicContact CB-CB 4.22Å; L733-I738 HydrophobicContact CB-CG2 4.48Å; L733-I738 HydrophobicContact CD2-CB 4.34Å; L733-I738 HydrophobicContact CD2-CD1 3.86Å; L733-I738 HydrophobicContact CD2-CG2 4.32Å; L733-I738 WeakPolarHBondContact O-CB 3.37Å; L733-I738 PolarHBondContact O-N 3.49Å; L733-A740 HydrophobicContact CB-CB 4.19Å; L733-A740 HydrophobicContact CD1-CB 4.02Å; L733-L747 HydrophobicContact CD1-CD2 3.86Å; L733-C749 WeakPolarHBondContact CD1-SG 3.48Å; L733-I776 HydrophobicContact CD2-CB 4.5Å; L733-I776 HydrophobicContact CD2-CG1 4.02Å; L733-I776 HydrophobicContact CD2-CG2 4.17Å; L733-L779 HydrophobicContact CD2-CD1 4.08Å
734L82.9Confident80Confident94 Ų9473 Ų7349%0.49239%0.386SS..Hα-helixtrans-64.7-35.2176.4-74.5169.7000112.7K730 V732 E736 G737K730-L734 HydrophobicContact CG-CD1 4.06Å; K730-L734 WeakPolarHBondContact O-CB 3.49Å; K730-L734 VanDerWaalsContact O-CG 3.31Å; K730-L734 WeakPolarHBondContact O-CG 3.43Å; K730-L734 PolarHBondContact O-N 2.88Å; V732-L734 VanDerWaalsContact C-N 3.33Å; V732-L734 PolarHBondContact O-N 3.4Å; L734-E736 VanDerWaalsContact C-N 3.31Å; L734-G737 PolarHBondContact O-N 3.48Å
735R83.1Confident80.2Confident201 Ų20175.2 Ų75.276%0.75841%0.411SS*.Hα-helixtrans-67-34.6176.3-170.5-178.4-64.9174.60.2112Q731 V732 L733 G737Q731-R735 PolarHBondContact O-N 2.86Å; Q731-R735 VanDerWaalsContact O-N 3.1Å; V732-R735 WeakPolarHBondContact O-CB 3.49Å; V732-R735 PolarHBondContact O-N 3.16Å; V732-R735 VanDerWaalsContact O-N 3.15Å; L733-R735 VanDerWaalsContact C-N 3.32Å; L733-R735 PolarHBondContact O-N 2.7Å; R735-G737 VanDerWaalsContact C-N 3.26Å; R735-G737 PolarHBondContact O-N 3.44Å
736E80.8Confident80.6Confident92 Ų9270 Ų7043%0.4340%0.396SS..THydrogen-bonded Turntrans-85.98.9177.6-71.3-62.413800113.8V732 L733 L734 L779V732-E736 PolarHBondContact O-N 2.84Å; V732-E736 VanDerWaalsContact O-N 3.1Å; L733-E736 CarbonylContact O-C 3.56Å; L733-E736 PolarHBondContact O-N 3.23Å; L734-E736 VanDerWaalsContact C-N 3.31Å; E736-L779 HydrophobicContact CB-CD1 4Å; E736-L779 HydrophobicContact CG-CD1 3.95Å; E736-L779 HydrophobicContact CG-CD2 3.97Å
737G81.3Confident80.9Confident64 Ų6469 Ų6966%0.6639%0.39SS*.THydrogen-bonded Turntrans79.513.8175.600000115.3L733 L734 R735L733-G737 PolarHBondContact O-N 2.88Å; L734-G737 PolarHBondContact O-N 3.48Å; R735-G737 VanDerWaalsContact C-N 3.26Å; R735-G737 PolarHBondContact O-N 3.44Å
738I83.2Confident81.2Confident4 Ų467.5 Ų67.52%0.02138%0.379CS..  trans-94.5121.8178.7-58.8171000108.8L733 A740 C749 K775 I776 L779L733-I738 CarbonylContact C-O 3.59Å; L733-I738 HydrophobicContact CB-CB 4.22Å; L733-I738 HydrophobicContact CB-CG2 4.48Å; L733-I738 HydrophobicContact CD2-CB 4.34Å; L733-I738 HydrophobicContact CD2-CD1 3.86Å; L733-I738 HydrophobicContact CD2-CG2 4.32Å; L733-I738 WeakPolarHBondContact O-CB 3.37Å; L733-I738 PolarHBondContact O-N 3.49Å; I738-A740 PolarHBondContact O-N 2.77Å; I738-C749 HydrophobicContact CG2-CB 3.97Å; I738-K775 HydrophobicContact CD1-CD 4.31Å; I738-K775 HydrophobicContact CD1-CG 4.45Å; I738-I776 HydrophobicContact CD1-CG1 3.8Å; I738-I776 HydrophobicContact CG2-CD1 4.21Å; I738-I776 HydrophobicContact CG2-CG1 4.35Å; I738-L779 HydrophobicContact CD1-CD1 3.97Å
739Q81.6Confident81.4Confident145 Ų14564.6 Ų64.668%0.67836%0.363SS*.  trans-72.5121.8177.8-69.5-173.4-10.300109.6C749 N750Q739-C749 CarbonylContact O-C 3.58Å; Q739-C749 VanDerWaalsContact O-CA 3.28Å; Q739-C749 WeakPolarHBondContact O-CA 3.5Å; Q739-N750 PolarHBondContact N-OD1 3.29Å; Q739-N750 PolarHBondContact O-N 2.94Å
740A84.8Confident81.5Confident4 Ų466.9 Ų66.93%0.03338%0.375CS..EExtended strand (participates in β ladder)trans-129.6121-176.800000112.4K730 L733 I738 L747 V748K730-A740 WeakPolarHBondContact CE-O 3.49Å; K730-A740 HydrophobicContact CG-CB 4.12Å; K730-A740 PolarHBondContact NZ-O 3.45Å; L733-A740 HydrophobicContact CB-CB 4.19Å; L733-A740 HydrophobicContact CD1-CB 4.02Å; I738-A740 PolarHBondContact O-N 2.77Å; A740-L747 HydrophobicContact CB-CD1 4.05Å; A740-L747 HydrophobicContact CB-CG 4.38Å; A740-V748 CarbonylContact C-O 3.58Å; A740-V748 VanDerWaalsContact CA-O 3.31Å; A740-V748 WeakPolarHBondContact CA-O 3.27Å
741E85Confident81.4Confident127 Ų12770.7 Ų70.759%0.59340%0.399SS*.EExtended strand (participates in β ladder)trans-123.1146.5-178.7-67.1-167.7166.300112.1V748E741-V748 PolarHBondContact N-O 2.84Å; E741-V748 PolarHBondContact O-N 2.93Å
742F84.3Confident81.4Confident94 Ų9467.4 Ų67.441%0.41239%0.387SS..EExtended strand (participates in β ladder)trans-91122176.4-85.1-77000109.8L726 K730 V746 L747L726-F742 HydrophobicContact CB-CE1 3.8Å; L726-F742 HydrophobicContact CB-CZ 3.72Å; L726-F742 HydrophobicContact CD1-CE1 4.37Å; K730-F742 HydrophobicContact CB-CE2 4.38Å; K730-F742 HydrophobicContact CD-CD2 3.94Å; K730-F742 HydrophobicContact CD-CE2 3.77Å; F742-V746 WeakPolarHBondContact CA-O 3.46Å; F742-L747 HydrophobicContact CD1-CB 4.5Å; F742-L747 HydrophobicContact CD1-CD1 4.29Å; F742-L747 HydrophobicContact CD2-CD1 4.05Å; F742-L747 HydrophobicContact CE1-CB 4.21Å; F742-L747 HydrophobicContact CE1-CD1 4.13Å; F742-L747 HydrophobicContact CE2-CD1 3.88Å; F742-L747 HydrophobicContact CG-CD1 4.26Å; F742-L747 HydrophobicContact CZ-CD1 3.93Å
743V80.6Confident81.6Confident92 Ų9265.9 Ų65.956%0.55838%0.378SS*.EExtended strand (participates in β ladder)trans-127.8111.1174.8-174.90000108G745 V746 V748V743-G745 VanDerWaalsContact C-N 3.3Å; V743-G745 PolarHBondContact O-N 2.62Å; V743-V746 PolarHBondContact N-O 3.41Å; V743-V746 PolarHBondContact O-N 2.88Å; V743-V748 HydrophobicContact CB-CG2 4.23Å; V743-V748 HydrophobicContact CG2-CG2 4.19Å
744G69.9Low81.6Confident87 Ų8767 Ų6790%0.89739%0.388SS*.THydrogen-bonded Turntrans60.530.8175.100000115.7V746G744-V746 VanDerWaalsContact C-N 3.33Å
745G72.4Confident81.7Confident57 Ų5762.6 Ų62.659%0.58836%0.364SS*.THydrogen-bonded Turntrans85.22.3-177.300000114.8V743V743-G745 VanDerWaalsContact C-N 3.3Å; V743-G745 PolarHBondContact O-N 2.62Å
746V81.3Confident81.7Confident41 Ų4157.5 Ų57.525%0.24835%0.345CS..EExtended strand (participates in β ladder)trans-106.3138.9173.9-177.60000109.2F742 V743 G744 A754 V755 R756F742-V746 WeakPolarHBondContact CA-O 3.46Å; V743-V746 PolarHBondContact N-O 3.41Å; V743-V746 PolarHBondContact O-N 2.88Å; G744-V746 VanDerWaalsContact C-N 3.33Å; V746-A754 HydrophobicContact CG1-CB 3.82Å; V746-V755 WeakPolarHBondContact CG1-O 3.38Å; V746-R756 HydrophobicContact CG1-CB 4.04Å; V746-R756 HydrophobicContact CG2-CB 3.91Å
747L84.2Confident81.5Confident0 Ų059.1 Ų59.10%035%0.347CS..EExtended strand (participates in β ladder)trans-92.3108.2176.4-175.470000109.4F729 K730 L733 A740 F742 V755F729-L747 HydrophobicContact CD1-CD2 3.92Å; K730-L747 HydrophobicContact CB-CD1 3.92Å; K730-L747 HydrophobicContact CB-CD2 4.22Å; K730-L747 HydrophobicContact CD-CD1 4.04Å; K730-L747 HydrophobicContact CG-CD1 4.19Å; L733-L747 HydrophobicContact CD1-CD2 3.86Å; A740-L747 HydrophobicContact CB-CD1 4.05Å; A740-L747 HydrophobicContact CB-CG 4.38Å; F742-L747 HydrophobicContact CD1-CB 4.5Å; F742-L747 HydrophobicContact CD1-CD1 4.29Å; F742-L747 HydrophobicContact CD2-CD1 4.05Å; F742-L747 HydrophobicContact CE1-CB 4.21Å; F742-L747 HydrophobicContact CE1-CD1 4.13Å; F742-L747 HydrophobicContact CE2-CD1 3.88Å; F742-L747 HydrophobicContact CG-CD1 4.26Å; F742-L747 HydrophobicContact CZ-CD1 3.93Å; L747-V755 HydrophobicContact CB-CB 4.28Å; L747-V755 PolarHBondContact N-O 3.3Å; L747-V755 PolarHBondContact O-N 3.02Å
748V84.8Confident80.9Confident31 Ų3159.5 Ų59.519%0.18834%0.337CS..EExtended strand (participates in β ladder)trans-95.3122.6-179.2-177.20000109.2A740 E741 V743 V753A740-V748 CarbonylContact C-O 3.58Å; A740-V748 VanDerWaalsContact CA-O 3.31Å; A740-V748 WeakPolarHBondContact CA-O 3.27Å; E741-V748 PolarHBondContact N-O 2.84Å; E741-V748 PolarHBondContact O-N 2.93Å; V743-V748 HydrophobicContact CB-CG2 4.23Å; V743-V748 HydrophobicContact CG2-CG2 4.19Å; V748-V753 CarbonylContact C-O 3.41Å; V748-V753 WeakPolarHBondContact CA-O 3.44Å
749C83.1Confident80Confident0 Ų064.1 Ų64.10%036%0.359CS..EExtended strand (participates in β ladder)trans-111.9125.5-175-51.80000109.8L733 I738 Q739 N751 V752 V753 I776L733-C749 WeakPolarHBondContact CD1-SG 3.48Å; I738-C749 HydrophobicContact CG2-CB 3.97Å; Q739-C749 CarbonylContact O-C 3.58Å; Q739-C749 VanDerWaalsContact O-CA 3.28Å; Q739-C749 WeakPolarHBondContact O-CA 3.5Å; C749-N751 PolarHBondContact O-N 2.86Å; C749-V752 PolarHBondContact O-N 3.06Å; C749-V753 HydrophobicContact CB-CB 4.4Å; C749-V753 PolarHBondContact N-O 3.45Å; C749-V753 PolarHBondContact O-N 3.29Å; C749-V753 VanDerWaalsContact O-N 3.07Å; C749-I776 HydrophobicContact CB-CD1 3.42Å; C749-I776 VanDerWaalsContact CB-CD1 3.42Å; C749-I776 HydrophobicContact CB-CG1 4.45Å
750N82.7Confident78.9Confident49 Ų4963 Ų6326%0.26236%0.364SS..THydrogen-bonded Turntrans48.623.4-176.7-73-6.5000114.6Q739 V752 D772Q739-N750 PolarHBondContact N-OD1 3.29Å; Q739-N750 PolarHBondContact O-N 2.94Å; N750-V752 WeakPolarHBondContact O-CG2 3.12Å; N750-V752 PolarHBondContact O-N 3.2Å; N750-V752 VanDerWaalsContact O-N 3.1Å; N750-D772 PolarHBondContact ND2-OD2 3.34Å
751N79.8Confident77.7Confident139 Ų13964.9 Ų64.974%0.74338%0.384SS*.THydrogen-bonded Turntrans56.514.6-171.5-67.2-23.3000115.5C749C749-N751 PolarHBondContact O-N 2.86Å
752V80.8Confident76.8Confident62 Ų6266.2 Ų66.238%0.37638%0.383SS..THydrogen-bonded Turntrans-119.3-29.1-176.4-179.20000112.3C749 N750 G767 C768 C770C749-V752 PolarHBondContact O-N 3.06Å; N750-V752 WeakPolarHBondContact O-CG2 3.12Å; N750-V752 PolarHBondContact O-N 3.2Å; N750-V752 VanDerWaalsContact O-N 3.1Å; V752-G767 WeakPolarHBondContact O-CA 3.44Å; V752-C768 HydrophobicContact CG1-CB 4.16Å; V752-C770 VanDerWaalsContact CG1-SG 3.57Å
753V84.2Confident76.5Confident1 Ų163.1 Ų63.11%0.00637%0.37CS..EExtended strand (participates in β ladder)trans-126.1130.3-175.4-1770000110.2V748 C749 L765 Y773 I776V748-V753 CarbonylContact C-O 3.41Å; V748-V753 WeakPolarHBondContact CA-O 3.44Å; C749-V753 HydrophobicContact CB-CB 4.4Å; C749-V753 PolarHBondContact N-O 3.45Å; C749-V753 PolarHBondContact O-N 3.29Å; C749-V753 VanDerWaalsContact O-N 3.07Å; V753-L765 HydrophobicContact CG1-CD1 4.43Å; V753-L765 HydrophobicContact CG1-CD2 3.6Å; V753-L765 HydrophobicContact CG1-CG 3.85Å; V753-Y773 HydrophobicContact CG1-CD2 4.27Å; V753-Y773 HydrophobicContact CG2-CD2 4.19Å; V753-I776 HydrophobicContact CB-CD1 3.78Å; V753-I776 HydrophobicContact CG1-CD1 4.08Å; V753-I776 HydrophobicContact CG2-CD1 3.94Å
754A84.3Confident76.3Confident24 Ų2459.5 Ų59.520%0.19835%0.352CS..EExtended strand (participates in β ladder)trans-113.1123.1179.300000110.2V746 E766V746-A754 HydrophobicContact CG1-CB 3.82Å; A754-E766 PolarHBondContact N-O 2.85Å; A754-E766 PolarHBondContact O-N 3.25Å
755V83.3Confident77Confident0 Ų056.8 Ų56.80%032%0.317CS..EExtended strand (participates in β ladder)trans-106112.5176.6-1740000108.2L726 F729 V746 L747 I763 L765 I776 L780L726-V755 HydrophobicContact CD2-CG1 3.79Å; F729-V755 HydrophobicContact CE1-CG2 4.36Å; V746-V755 WeakPolarHBondContact CG1-O 3.38Å; L747-V755 HydrophobicContact CB-CB 4.28Å; L747-V755 PolarHBondContact N-O 3.3Å; L747-V755 PolarHBondContact O-N 3.02Å; V755-I763 HydrophobicContact CG1-CG2 3.39Å; V755-L765 HydrophobicContact CG2-CD1 4.01Å; V755-L765 HydrophobicContact CG2-CG 4.16Å; V755-I776 HydrophobicContact CG2-CG2 4.22Å; V755-L780 HydrophobicContact CG1-CD1 4.17Å
756R83.8Confident77.5Confident94 Ų9458.4 Ų58.436%0.35531%0.309SS..EExtended strand (participates in β ladder)trans-119.7149.8-17770.5176.6-168-164.20.3111.5V746 T758 I763 G764 E766V746-R756 HydrophobicContact CG1-CB 4.04Å; V746-R756 HydrophobicContact CG2-CB 3.91Å; R756-T758 HydrophobicContact CG-CG2 4.19Å; R756-T758 VanDerWaalsContact NE-CG2 3.33Å; R756-I763 CarbonylContact O-C 3.59Å; R756-I763 WeakPolarHBondContact O-CA 3.18Å; R756-G764 PolarHBondContact N-O 3.48Å; R756-G764 PolarHBondContact O-N 3.31Å; R756-E766 IonicContact CZ-OE1 3.62Å; R756-E766 IonicContact CZ-OE2 2.68Å; R756-E766 VanDerWaalsContact CZ-OE2 3.25Å; R756-E766 IonicContact NE-OE1 2.85Å; R756-E766 IonicContact NE-OE2 2.83Å; R756-E766 IonicContact NH1-OE1 2.67Å; R756-E766 PolarHBondContact NH1-OE1 3.08Å; R756-E766 IonicContact NH1-OE2 3.18Å; R756-E766 PolarHBondContact NH1-OE2 3.2Å; R756-E766 IonicContact NH2-OE1 3.25Å; R756-E766 PolarHBondContact NH2-OE1 2.84Å; R756-E766 IonicContact NH2-OE2 2.97Å
757R76.7Confident77.6Confident126 Ų12658.3 Ų58.348%0.47532%0.317SS..EExtended strand (participates in β ladder)trans-92.7115169.2-168175.2-179.3176.82.3108.4
758T68Low77.3Confident72 Ų7262.7 Ų62.744%0.44235%0.346SS..EExtended strand (participates in β ladder)trans-88.5-44.9-179.540.40000111.8R756 R762R756-T758 HydrophobicContact CG-CG2 4.19Å; R756-T758 VanDerWaalsContact NE-CG2 3.33Å; T758-R762 PolarHBondContact N-O 2.76Å; T758-R762 VanDerWaalsContact N-O 3.16Å; T758-R762 PolarHBondContact OG1-O 2.8Å
759E65.4Low76.9Confident102 Ų10267.4 Ų67.448%0.47737%0.369SS..EExtended strand (participates in β ladder)trans-140.5162.1-178.1-71.9172.4173.100109.5G761 R762E759-G761 PolarHBondContact O-N 2.83Å; E759-R762 HydrophobicContact CB-CB 4.29Å; E759-R762 PolarHBondContact O-N 3.09Å; E759-R762 WeakPolarHBondContact OE2-CD 3.34Å; E759-R762 IonicContact OE2-CZ 3.46Å; E759-R762 IonicContact OE2-NE 2.95Å; E759-R762 IonicContact OE2-NH1 3.91Å; E759-R762 PolarHBondContact OE2-NH1 2.93Å
760P58.4Low76.9Confident122 Ų12269.2 Ų69.279%0.79238%0.382SS*.THydrogen-bonded Turntrans-55.8114169.622.9-32.7000110
761G58.9Low76.8Confident43 Ų4373.7 Ų73.744%0.44341%0.406SS..THydrogen-bonded Turntrans94-2.1-178.700000115.8E759E759-G761 PolarHBondContact O-N 2.83Å
762R66.4Low76.8Confident154 Ų15469.7 Ų69.758%0.58138%0.384SS*.EExtended strand (participates in β ladder)trans-120.1127177-71.2-177.8174.6169.2-8.1112.8T758 E759T758-R762 PolarHBondContact N-O 2.76Å; T758-R762 VanDerWaalsContact N-O 3.16Å; T758-R762 PolarHBondContact OG1-O 2.8Å; E759-R762 HydrophobicContact CB-CB 4.29Å; E759-R762 PolarHBondContact O-N 3.09Å; E759-R762 WeakPolarHBondContact OE2-CD 3.34Å; E759-R762 IonicContact OE2-CZ 3.46Å; E759-R762 IonicContact OE2-NE 2.95Å; E759-R762 IonicContact OE2-NH1 3.91Å; E759-R762 PolarHBondContact OE2-NH1 2.93Å
763I76.6Confident77Confident29 Ų2968.7 Ų68.715%0.14937%0.374CS..EExtended strand (participates in β ladder)trans-107.6124.4170.9-66.2-176.3000108.6P724 L726 V755 R756 L780P724-I763 HydrophobicContact CB-CD1 3.38Å; P724-I763 HydrophobicContact CB-CG1 4.45Å; P724-I763 HydrophobicContact CG-CD1 3.37Å; P724-I763 HydrophobicContact CG-CG1 3.92Å; L726-I763 HydrophobicContact CD2-CD1 4.36Å; V755-I763 HydrophobicContact CG1-CG2 3.39Å; R756-I763 CarbonylContact O-C 3.59Å; R756-I763 WeakPolarHBondContact O-CA 3.18Å; I763-L780 HydrophobicContact CD1-CD1 4.37Å; I763-L780 HydrophobicContact CG2-CD1 4.22Å
764G77.6Confident76.9Confident17 Ų1773.6 Ų73.618%0.17539%0.393CS..EExtended strand (participates in β ladder)trans-93.9132.7167.900000110.1R756R756-G764 PolarHBondContact N-O 3.48Å; R756-G764 PolarHBondContact O-N 3.31Å
765L84.3Confident76.9Confident30 Ų3076.6 Ų76.616%0.15740%0.402CS..EExtended strand (participates in β ladder)trans-115.9107.3174.7-167.9149.1000108.1V753 V755 Y773 I776 R777V753-L765 HydrophobicContact CG1-CD1 4.43Å; V753-L765 HydrophobicContact CG1-CD2 3.6Å; V753-L765 HydrophobicContact CG1-CG 3.85Å; V755-L765 HydrophobicContact CG2-CD1 4.01Å; V755-L765 HydrophobicContact CG2-CG 4.16Å; L765-Y773 HydrophobicContact CD2-CD1 4.4Å; L765-Y773 HydrophobicContact CD2-CD2 3.48Å; L765-Y773 VanDerWaalsContact CD2-CD2 3.48Å; L765-Y773 HydrophobicContact CD2-CE1 4.06Å; L765-Y773 HydrophobicContact CD2-CE2 3.09Å; L765-Y773 HydrophobicContact CD2-CG 4.11Å; L765-Y773 PolarHBondContact O-OH 2.79Å; L765-I776 HydrophobicContact CD1-CG2 3.85Å; L765-R777 HydrophobicContact CD1-CB 4.49Å
766E82.5Confident76.9Confident91 Ų9176.6 Ų76.643%0.42540%0.402SS..EExtended strand (participates in β ladder)trans-112.9130.1-174.5-63-175.2146.100109.4A754 R756A754-E766 PolarHBondContact N-O 2.85Å; A754-E766 PolarHBondContact O-N 3.25Å; R756-E766 IonicContact CZ-OE1 3.62Å; R756-E766 IonicContact CZ-OE2 2.68Å; R756-E766 VanDerWaalsContact CZ-OE2 3.25Å; R756-E766 IonicContact NE-OE1 2.85Å; R756-E766 IonicContact NE-OE2 2.83Å; R756-E766 IonicContact NH1-OE1 2.67Å; R756-E766 PolarHBondContact NH1-OE1 3.08Å; R756-E766 IonicContact NH1-OE2 3.18Å; R756-E766 PolarHBondContact NH1-OE2 3.2Å; R756-E766 IonicContact NH2-OE1 3.25Å; R756-E766 PolarHBondContact NH2-OE1 2.84Å; R756-E766 IonicContact NH2-OE2 2.97Å
767G82.9Confident76.8Confident39 Ų3976.8 Ų76.840%0.40240%0.402SS..EExtended strand (participates in β ladder)trans175172.3-179.800000112.6V752V752-G767 WeakPolarHBondContact O-CA 3.44Å
768C77.9Confident77Confident91 Ų9176.2 Ų76.262%0.61541%0.405SS*.  trans-68.9141.9171.1-65.60000110.1V752 C770 Y773V752-C768 HydrophobicContact CG1-CB 4.16Å; C768-C770 PolarHBondContact O-N 2.96Å; C768-C770 PolarHBondContact O-SG 3.44Å; C768-Y773 WeakPolarHBondContact O-CB 3.4Å
769L78.2Confident77.5Confident130 Ų13073.8 Ų73.868%0.68139%0.389SS*.SBendtrans-68.593.2174.4-66171.2000109.6Y773L769-Y773 HydrophobicContact CD2-CD1 4.13Å; L769-Y773 HydrophobicContact CD2-CE1 4.07Å
770C81.5Confident78.1Confident39 Ų3969.2 Ų69.226%0.26437%0.368SS..SBendtrans-132170.4176.561.90000110.5V752 C768 D772 Y773 Y774V752-C770 VanDerWaalsContact CG1-SG 3.57Å; C768-C770 PolarHBondContact O-N 2.96Å; C768-C770 PolarHBondContact O-SG 3.44Å; C770-D772 PolarHBondContact O-N 2.96Å; C770-Y773 WeakPolarHBondContact O-CA 3.31Å; C770-Y773 VanDerWaalsContact O-CB 3.26Å; C770-Y773 WeakPolarHBondContact O-CB 3.37Å; C770-Y773 PolarHBondContact O-N 3.3Å; C770-Y774 WeakPolarHBondContact O-CD2 3.39Å; C770-Y774 PolarHBondContact O-N 2.85Å
771D80.8Confident78.9Confident143 Ų14367.4 Ų67.477%0.76535%0.346SS*.Hα-helixtrans-57.2-36.1179.8-64.6-20.4000112Y773 Y774 K775D771-Y773 VanDerWaalsContact C-N 3.34Å; D771-Y773 PolarHBondContact O-N 3.39Å; D771-Y774 PolarHBondContact O-N 2.84Å; D771-K775 WeakPolarHBondContact O-CB 3.44Å; D771-K775 PolarHBondContact O-N 2.84Å
772D81Confident79.6Confident54 Ų5471 Ų7129%0.28935%0.351SS..Hα-helixtrans-63.7-36.8174.5-73.4-14.1000112.4N750 C770 K775 I776N750-D772 PolarHBondContact ND2-OD2 3.34Å; C770-D772 PolarHBondContact O-N 2.96Å; D772-K775 PolarHBondContact O-N 3.25Å; D772-I776 HydrophobicContact CB-CD1 4.46Å; D772-I776 WeakPolarHBondContact O-CB 3.49Å; D772-I776 VanDerWaalsContact O-CD1 3.28Å; D772-I776 WeakPolarHBondContact O-CD1 3.27Å; D772-I776 WeakPolarHBondContact O-CG1 3.35Å; D772-I776 PolarHBondContact O-N 2.92Å
773Y83.6Confident79.8Confident42 Ų4265.6 Ų65.617%0.16533%0.333CS..Hα-helixtrans-61.2-46.5175.9-178.6-81.7000111.3V753 L765 C768 L769 C770 D771 R777V753-Y773 HydrophobicContact CG1-CD2 4.27Å; V753-Y773 HydrophobicContact CG2-CD2 4.19Å; L765-Y773 HydrophobicContact CD2-CD1 4.4Å; L765-Y773 HydrophobicContact CD2-CD2 3.48Å; L765-Y773 VanDerWaalsContact CD2-CD2 3.48Å; L765-Y773 HydrophobicContact CD2-CE1 4.06Å; L765-Y773 HydrophobicContact CD2-CE2 3.09Å; L765-Y773 HydrophobicContact CD2-CG 4.11Å; L765-Y773 PolarHBondContact O-OH 2.79Å; C768-Y773 WeakPolarHBondContact O-CB 3.4Å; L769-Y773 HydrophobicContact CD2-CD1 4.13Å; L769-Y773 HydrophobicContact CD2-CE1 4.07Å; C770-Y773 WeakPolarHBondContact O-CA 3.31Å; C770-Y773 VanDerWaalsContact O-CB 3.26Å; C770-Y773 WeakPolarHBondContact O-CB 3.37Å; C770-Y773 PolarHBondContact O-N 3.3Å; D771-Y773 VanDerWaalsContact C-N 3.34Å; D771-Y773 PolarHBondContact O-N 3.39Å; Y773-R777 VanDerWaalsContact O-CB 3.3Å; Y773-R777 WeakPolarHBondContact O-CB 3.15Å; Y773-R777 PolarHBondContact O-N 2.89Å
774Y83.4Confident79.3Confident104 Ų10464.4 Ų64.441%0.40833%0.326SS..Hα-helixtrans-68.9-40.2179-69.8-71000111.9C770 D771 R777 E778C770-Y774 WeakPolarHBondContact O-CD2 3.39Å; C770-Y774 PolarHBondContact O-N 2.85Å; D771-Y774 PolarHBondContact O-N 2.84Å; Y774-R777 PolarHBondContact O-N 2.9Å; Y774-E778 WeakPolarHBondContact O-CB 3.37Å; Y774-E778 PolarHBondContact O-N 3.03Å
775K83.3Confident78.6Confident86 Ų8664.3 Ų64.337%0.37432%0.324SS..Hα-helixtrans-64.4-44.3177.2-167.4177.5-177.7-169.40112.3I738 D771 D772 R777 E778 L779I738-K775 HydrophobicContact CD1-CD 4.31Å; I738-K775 HydrophobicContact CD1-CG 4.45Å; D771-K775 WeakPolarHBondContact O-CB 3.44Å; D771-K775 PolarHBondContact O-N 2.84Å; D772-K775 PolarHBondContact O-N 3.25Å; K775-R777 VanDerWaalsContact C-N 3.35Å; K775-E778 PolarHBondContact O-N 3.42Å; K775-L779 HydrophobicContact CG-CD1 4.49Å; K775-L779 WeakPolarHBondContact O-CG 3.34Å; K775-L779 PolarHBondContact O-N 3.33Å
776I82.9Confident77.5Confident0 Ų063.4 Ų63.40%032%0.32CS..Hα-helixtrans-65.8-40177.2-65.3162.5000110.5F729 L733 I738 C749 V753 V755 L765 D772 L779 L780F729-I776 HydrophobicContact CE1-CG2 4.1Å; F729-I776 HydrophobicContact CZ-CG2 4.05Å; L733-I776 HydrophobicContact CD2-CB 4.5Å; L733-I776 HydrophobicContact CD2-CG1 4.02Å; L733-I776 HydrophobicContact CD2-CG2 4.17Å; I738-I776 HydrophobicContact CD1-CG1 3.8Å; I738-I776 HydrophobicContact CG2-CD1 4.21Å; I738-I776 HydrophobicContact CG2-CG1 4.35Å; C749-I776 HydrophobicContact CB-CD1 3.42Å; C749-I776 VanDerWaalsContact CB-CD1 3.42Å; C749-I776 HydrophobicContact CB-CG1 4.45Å; V753-I776 HydrophobicContact CB-CD1 3.78Å; V753-I776 HydrophobicContact CG1-CD1 4.08Å; V753-I776 HydrophobicContact CG2-CD1 3.94Å; V755-I776 HydrophobicContact CG2-CG2 4.22Å; L765-I776 HydrophobicContact CD1-CG2 3.85Å; D772-I776 HydrophobicContact CB-CD1 4.46Å; D772-I776 WeakPolarHBondContact O-CB 3.49Å; D772-I776 VanDerWaalsContact O-CD1 3.28Å; D772-I776 WeakPolarHBondContact O-CD1 3.27Å; D772-I776 WeakPolarHBondContact O-CG1 3.35Å; D772-I776 PolarHBondContact O-N 2.92Å; I776-L779 PolarHBondContact O-N 3.37Å; I776-L780 WeakPolarHBondContact O-CB 3.42Å; I776-L780 PolarHBondContact O-N 2.75Å
777R82.6Confident76.3Confident99 Ų9964.2 Ų64.237%0.37433%0.33SS..Hα-helixtrans-62.3-43.9175.6-175.7-176.572.5171.66.3111.8L765 Y773 Y774 K775 L780 Y781L765-R777 HydrophobicContact CD1-CB 4.49Å; Y773-R777 VanDerWaalsContact O-CB 3.3Å; Y773-R777 WeakPolarHBondContact O-CB 3.15Å; Y773-R777 PolarHBondContact O-N 2.89Å; Y774-R777 PolarHBondContact O-N 2.9Å; K775-R777 VanDerWaalsContact C-N 3.35Å; R777-L780 PolarHBondContact O-N 2.89Å; R777-Y781 HydrophobicContact CG-CD2 3.88Å; R777-Y781 HydrophobicContact CG-CE2 3.49Å; R777-Y781 VanDerWaalsContact CG-CE2 3.49Å; R777-Y781 WeakPolarHBondContact O-CD2 3.49Å; R777-Y781 PolarHBondContact O-N 3.17Å
778E81Confident75.9Confident114 Ų11465.5 Ų65.553%0.53333%0.327SS..Hα-helixtrans-63.2-45.7177.9-171.1176.9-179.200111.6Y774 K775 L780 Y781 Q782Y774-E778 WeakPolarHBondContact O-CB 3.37Å; Y774-E778 PolarHBondContact O-N 3.03Å; K775-E778 PolarHBondContact O-N 3.42Å; E778-L780 VanDerWaalsContact C-N 3.31Å; E778-L780 PolarHBondContact O-N 2.97Å; E778-Y781 PolarHBondContact O-N 2.82Å; E778-Q782 HydrophobicContact CG-CG 4.46Å; E778-Q782 WeakPolarHBondContact O-CB 3.47Å; E778-Q782 WeakPolarHBondContact O-CG 3.21Å; E778-Q782 PolarHBondContact O-N 3.27Å; E778-Q782 PolarHBondContact OE1-NE2 2.86Å
779L79Confident75.8Confident20 Ų2064.1 Ų64.111%0.10531%0.311CS..Hα-helixtrans-62.2-38175.6-70.3171.7000112.5F729 L733 E736 I738 K775 I776 Q783F729-L779 HydrophobicContact CE2-CB 4.16Å; F729-L779 HydrophobicContact CZ-CB 4.46Å; L733-L779 HydrophobicContact CD2-CD1 4.08Å; E736-L779 HydrophobicContact CB-CD1 4Å; E736-L779 HydrophobicContact CG-CD1 3.95Å; E736-L779 HydrophobicContact CG-CD2 3.97Å; I738-L779 HydrophobicContact CD1-CD1 3.97Å; K775-L779 HydrophobicContact CG-CD1 4.49Å; K775-L779 WeakPolarHBondContact O-CG 3.34Å; K775-L779 PolarHBondContact O-N 3.33Å; I776-L779 PolarHBondContact O-N 3.37Å; L779-Q783 WeakPolarHBondContact O-CB 3.47Å; L779-Q783 PolarHBondContact O-N 3.47Å
780L76.9Confident75.7Confident7 Ų760.4 Ų60.44%0.03729%0.291CS..Hα-helixtrans-64.6-43.5176.5-169.6113.7000111.2F720 F729 V755 I763 I776 R777 E778 Y784F720-L780 HydrophobicContact CE1-CD2 3.92Å; F720-L780 HydrophobicContact CZ-CD2 4.15Å; F729-L780 HydrophobicContact CD1-CD1 4Å; F729-L780 HydrophobicContact CE1-CB 4.4Å; F729-L780 HydrophobicContact CE1-CD1 3.59Å; F729-L780 HydrophobicContact CE2-CB 4Å; F729-L780 HydrophobicContact CE2-CD1 4.25Å; F729-L780 HydrophobicContact CG-CD1 4.49Å; F729-L780 HydrophobicContact CZ-CB 3.68Å; F729-L780 HydrophobicContact CZ-CD1 3.73Å; F729-L780 HydrophobicContact CZ-CG 4.27Å; V755-L780 HydrophobicContact CG1-CD1 4.17Å; I763-L780 HydrophobicContact CD1-CD1 4.37Å; I763-L780 HydrophobicContact CG2-CD1 4.22Å; I776-L780 WeakPolarHBondContact O-CB 3.42Å; I776-L780 PolarHBondContact O-N 2.75Å; R777-L780 PolarHBondContact O-N 2.89Å; E778-L780 VanDerWaalsContact C-N 3.31Å; E778-L780 PolarHBondContact O-N 2.97Å; L780-Y784 PolarHBondContact O-N 3.11Å; L780-Y784 VanDerWaalsContact O-N 3.07Å
781Y76.1Confident75.3Confident84 Ų8461.7 Ų61.733%0.32929%0.292SS..Hα-helixtrans-70.2-46.2178-70.1-34.7000112.5F720 R777 E778 Q783 Y784 A785 V787F720-Y781 HydrophobicContact CZ-CE1 4.22Å; R777-Y781 HydrophobicContact CG-CD2 3.88Å; R777-Y781 HydrophobicContact CG-CE2 3.49Å; R777-Y781 VanDerWaalsContact CG-CE2 3.49Å; R777-Y781 WeakPolarHBondContact O-CD2 3.49Å; R777-Y781 PolarHBondContact O-N 3.17Å; E778-Y781 PolarHBondContact O-N 2.82Å; Y781-Q783 PolarHBondContact O-N 3.05Å; Y781-Q783 VanDerWaalsContact O-N 3.13Å; Y781-Y784 PolarHBondContact O-N 3.28Å; Y781-A785 HydrophobicContact CD1-CB 3.62Å; Y781-A785 HydrophobicContact CE1-CB 4.43Å; Y781-A785 HydrophobicContact CG-CB 4.39Å; Y781-A785 CarbonylContact O-C 3.56Å; Y781-A785 PolarHBondContact O-N 3.39Å; Y781-V787 HydrophobicContact CD1-CG2 3.94Å; Y781-V787 HydrophobicContact CD2-CG2 4.17Å; Y781-V787 HydrophobicContact CE1-CG2 4.36Å; Y781-V787 HydrophobicContact CG-CG2 3.83Å
782Q73.8Confident75Confident118 Ų11856.6 Ų56.655%0.55126%0.263SS*.Hα-helixtrans-55.5-34.6177-76.21792.900113.1E778E778-Q782 HydrophobicContact CG-CG 4.46Å; E778-Q782 WeakPolarHBondContact O-CB 3.47Å; E778-Q782 WeakPolarHBondContact O-CG 3.21Å; E778-Q782 PolarHBondContact O-N 3.27Å; E778-Q782 PolarHBondContact OE1-NE2 2.86Å
783Q69.6Low74.6Confident40 Ų4056.8 Ų56.819%0.18726%0.261CS..Hα-helixtrans-91.2-32.3-174.6-168.4174.25.500113.9V732 L779 Y781V732-Q783 VanDerWaalsContact CG2-NE2 3.29Å; L779-Q783 WeakPolarHBondContact O-CB 3.47Å; L779-Q783 PolarHBondContact O-N 3.47Å; Y781-Q783 PolarHBondContact O-N 3.05Å; Y781-Q783 VanDerWaalsContact O-N 3.13Å
784Y67.2Low74Confident5 Ų557.9 Ų57.92%0.0227%0.268CS..Hα-helixtrans-129.7-4.7-168-60.6-76.1000114.7F720 I721 P724 D728 F729 L780 Y781F720-Y784 CarbonylContact C-O 3.54Å; F720-Y784 WeakPolarHBondContact CA-O 3.41Å; F720-Y784 WeakPolarHBondContact CD1-O 3.38Å; I721-Y784 PolarHBondContact N-O 3.42Å; P724-Y784 HydrophobicContact CB-CD1 4.04Å; P724-Y784 HydrophobicContact CB-CE1 4.43Å; P724-Y784 HydrophobicContact CB-CG 4.17Å; D728-Y784 WeakPolarHBondContact CB-OH 3.45Å; F729-Y784 HydrophobicContact CB-CE2 3.94Å; F729-Y784 HydrophobicContact CD2-CD2 4.38Å; F729-Y784 AromaticContact CD2-CE2 3.77Å; F729-Y784 HydrophobicContact CD2-CE2 3.77Å; F729-Y784 HydrophobicContact CG-CE2 4.16Å; F729-Y784 PolarHBondContact N-OH 3.12Å; L780-Y784 PolarHBondContact O-N 3.11Å; L780-Y784 VanDerWaalsContact O-N 3.07Å; Y781-Y784 PolarHBondContact O-N 3.28Å
785A62.2Low73.2Confident14 Ų1454.3 Ų54.312%0.11626%0.257CS..EExtended strand (participates in β ladder)trans-131.1145.4-177.900000113V719 F720 Y781 V787V719-A785 WeakPolarHBondContact O-CA 3.05Å; F720-A785 HydrophobicContact CD1-CB 4.02Å; F720-A785 HydrophobicContact CE1-CB 3.97Å; F720-A785 HydrophobicContact CZ-CB 4.47Å; Y781-A785 HydrophobicContact CD1-CB 3.62Å; Y781-A785 HydrophobicContact CE1-CB 4.43Å; Y781-A785 HydrophobicContact CG-CB 4.39Å; Y781-A785 CarbonylContact O-C 3.56Å; Y781-A785 PolarHBondContact O-N 3.39Å; A785-V787 HydrophobicContact CB-CG2 4.11Å
786V61Low72.4Confident12 Ų1251.7 Ų51.77%0.07325%0.248CC..EExtended strand (participates in β ladder)trans-101.5114.9157.8178.10000105.7C621 L628 S718 V719 I721C621-V786 HydrophobicContact CB-CG2 4.27Å; L628-V786 HydrophobicContact CB-CG2 4.48Å; S718-V786 CarbonylContact C-O 3.44Å; S718-V786 VanDerWaalsContact CA-O 3.27Å; S718-V786 WeakPolarHBondContact CA-O 3.46Å; V719-V786 PolarHBondContact N-O 2.69Å; V719-V786 PolarHBondContact O-N 2.72Å; I721-V786 HydrophobicContact CD1-CB 4.42Å; I721-V786 HydrophobicContact CD1-CG2 3.36Å; I721-V786 HydrophobicContact CG1-CG2 4.25Å
787V56.6Low71.4Confident107 Ų10756.4 Ų56.465%0.64827%0.27SS*.  trans-101.20-177.8-178.50000109.6Y781 A785Y781-V787 HydrophobicContact CD1-CG2 3.94Å; Y781-V787 HydrophobicContact CD2-CG2 4.17Å; Y781-V787 HydrophobicContact CE1-CG2 4.36Å; Y781-V787 HydrophobicContact CG-CG2 3.83Å; A785-V787 HydrophobicContact CB-CG2 4.11Å

Retrieved 787 of 787 residues in 503.5 ms (Link to these results)

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