A0A077ZMP5_TRITR Loading...

Rep 3 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZMP5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 235 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
1M34.3Very low80.3Confident241 Ų24181.8 Ų81.8100%1.18745%0.454SS*.  0120.90-63.7178.8-166.500107S3M1-S3 PolarHBondContact O-N 3.47Å; M1-S3 VanDerWaalsContact O-N 3.08Å
2T45Very low81.5Confident143 Ų14375.9 Ų75.988%0.87742%0.421SS*.  trans-65.9106.4170.440.40000107.2N4T2-N4 PolarHBondContact O-N 3.42Å
3S65.7Low82.5Confident109 Ų10973.7 Ų73.776%0.76242%0.419SS*.PPolyproline II helixtrans-55.8138.5172.753.10000108.7M1M1-S3 PolarHBondContact O-N 3.47Å; M1-S3 VanDerWaalsContact O-N 3.08Å
4N77.9Confident83.5Confident147 Ų14768.4 Ų68.479%0.78639%0.389SS*.PPolyproline II helixtrans-54.9135.6173.9-84.7-20.8000108.7T2 L6T2-N4 PolarHBondContact O-N 3.42Å; N4-L6 PolarHBondContact O-N 3.21Å
5P88Confident84.4Confident73 Ų7363.9 Ų63.947%0.47436%0.363SS..PPolyproline II helixtrans-60.7132.318024.7-33.1000109.6I7 V136P5-I7 HydrophobicContact CB-CG1 4.38Å; P5-I7 HydrophobicContact CG-CD1 4.04Å; P5-I7 HydrophobicContact CG-CG1 4.41Å; P5-I7 WeakPolarHBondContact O-CG1 3.34Å; P5-I7 PolarHBondContact O-N 2.82Å; P5-V136 HydrophobicContact CB-CG1 4.19Å
6L94.2Very high85.1Confident76 Ų7664.9 Ų64.940%0.39836%0.364SS..PPolyproline II helixtrans-67.2121.7170.6-63.7174.9000108.9N4 L31 I137N4-L6 PolarHBondContact O-N 3.21Å; L6-L31 HydrophobicContact CD1-CD1 3.8Å; L6-I137 HydrophobicContact CB-CB 4.11Å; L6-I137 HydrophobicContact CB-CD1 3.78Å; L6-I137 HydrophobicContact CB-CG1 4.05Å; L6-I137 HydrophobicContact CD1-CD1 4.37Å; L6-I137 PolarHBondContact O-N 3.49Å
7I95.7Very high85.8Confident28 Ų2861.4 Ų61.414%0.14435%0.345CS..EExtended strand (participates in β ladder)trans-129.6121.6-174.7-62.4159.5000108.9P5 Y9 S34 R134 V135 V136P5-I7 HydrophobicContact CB-CG1 4.38Å; P5-I7 HydrophobicContact CG-CD1 4.04Å; P5-I7 HydrophobicContact CG-CG1 4.41Å; P5-I7 WeakPolarHBondContact O-CG1 3.34Å; P5-I7 PolarHBondContact O-N 2.82Å; I7-Y9 HydrophobicContact CB-CE2 4.06Å; I7-Y9 HydrophobicContact CG2-CD1 4.4Å; I7-Y9 HydrophobicContact CG2-CD2 4.02Å; I7-Y9 HydrophobicContact CG2-CE1 3.92Å; I7-Y9 HydrophobicContact CG2-CE2 3.48Å; I7-Y9 VanDerWaalsContact CG2-CE2 3.48Å; I7-Y9 HydrophobicContact CG2-CG 4.46Å; I7-Y9 VanDerWaalsContact CG2-CZ 3.41Å; I7-S34 VanDerWaalsContact O-CA 3.23Å; I7-S34 WeakPolarHBondContact O-CA 3.2Å; I7-S34 WeakPolarHBondContact O-CB 3.43Å; I7-R134 VanDerWaalsContact CD1-NH2 3.34Å; I7-R134 HydrophobicContact CG2-CG 3.43Å; I7-R134 VanDerWaalsContact CG2-CG 3.43Å; I7-V135 CarbonylContact C-O 3.54Å; I7-V135 WeakPolarHBondContact CA-O 3.35Å; I7-V136 HydrophobicContact CG1-CG2 4.4Å
8A96Very high86.5Confident0 Ų058.4 Ų58.40%033%0.329CS..EExtended strand (participates in β ladder)trans-92.2134.717000000110.1L30 I33 V135A8-L30 HydrophobicContact CB-CB 4.46Å; A8-L30 HydrophobicContact CB-CD2 3.73Å; A8-I33 HydrophobicContact CB-CB 3.99Å; A8-I33 HydrophobicContact CB-CG2 3.71Å; A8-V135 HydrophobicContact CB-CB 4.38Å; A8-V135 PolarHBondContact N-O 2.91Å; A8-V135 PolarHBondContact O-N 3.15Å
9Y95.4Very high87.1Confident64 Ų6455.5 Ų55.525%0.25131%0.312SS..EExtended strand (participates in β ladder)trans-113.7134.6173.9-62.3-85.7000110.4I7 I33 L128 F132 T133 R134I7-Y9 HydrophobicContact CB-CE2 4.06Å; I7-Y9 HydrophobicContact CG2-CD1 4.4Å; I7-Y9 HydrophobicContact CG2-CD2 4.02Å; I7-Y9 HydrophobicContact CG2-CE1 3.92Å; I7-Y9 HydrophobicContact CG2-CE2 3.48Å; I7-Y9 VanDerWaalsContact CG2-CE2 3.48Å; I7-Y9 HydrophobicContact CG2-CG 4.46Å; I7-Y9 VanDerWaalsContact CG2-CZ 3.41Å; Y9-I33 VanDerWaalsContact O-CG2 3.23Å; Y9-I33 WeakPolarHBondContact O-CG2 2.93Å; Y9-L128 HydrophobicContact CG-CD1 4.45Å; Y9-F132 AromaticContact CD1-CD2 3.83Å; Y9-F132 HydrophobicContact CD1-CD2 3.83Å; Y9-F132 AromaticContact CD1-CE2 3.94Å; Y9-F132 HydrophobicContact CD1-CE2 3.94Å; Y9-F132 HydrophobicContact CE1-CD2 4.43Å; Y9-F132 HydrophobicContact CE1-CE2 4.09Å; Y9-T133 WeakPolarHBondContact CA-O 3.1Å; Y9-R134 HydrophobicContact CD1-CB 4.12Å; Y9-R134 HydrophobicContact CD1-CG 4.2Å; Y9-R134 HydrophobicContact CE1-CB 3.9Å; Y9-R134 HydrophobicContact CE1-CG 3.63Å
10K95.7Very high87.6Confident5 Ų557 Ų572%0.02232%0.315CS..EExtended strand (participates in β ladder)trans-134.5142.7176.9-66.2-178.8177-179.20109.1L14 V15 Y19 I33 L125 F132 T133 E153K10-L14 HydrophobicContact CB-CD2 4.31Å; K10-L14 HydrophobicContact CD-CD2 4.33Å; K10-L14 HydrophobicContact CG-CD2 4.2Å; K10-V15 HydrophobicContact CB-CG2 3.84Å; K10-V15 HydrophobicContact CD-CG2 4.29Å; K10-Y19 PolarHBondContact NZ-OH 2.9Å; K10-I33 HydrophobicContact CD-CD1 4.48Å; K10-I33 HydrophobicContact CG-CD1 4.35Å; K10-L125 HydrophobicContact CG-CD2 4.12Å; K10-F132 CarbonylContact O-C 3.5Å; K10-F132 VanDerWaalsContact O-CA 3.27Å; K10-F132 WeakPolarHBondContact O-CA 3.41Å; K10-F132 WeakPolarHBondContact O-CB 3.47Å; K10-T133 PolarHBondContact N-O 3.17Å; K10-T133 VanDerWaalsContact N-O 3.11Å; K10-T133 PolarHBondContact O-N 3.44Å; K10-E153 WeakPolarHBondContact CE-OE1 3.37Å; K10-E153 IonicContact NZ-OE1 2.74Å; K10-E153 PolarHBondContact NZ-OE1 3.05Å; K10-E153 IonicContact NZ-OE2 2.96Å
11S95Very high88.1Confident14 Ų1454.4 Ų54.410%0.09830%0.301CS..EExtended strand (participates in β ladder)trans-58.5151.4166.366.60000110.7A13 L14 V15 Y124S11-A13 VanDerWaalsContact C-N 3.27Å; S11-A13 PolarHBondContact O-N 3.26Å; S11-L14 PolarHBondContact O-N 2.59Å; S11-L14 VanDerWaalsContact O-N 3.16Å; S11-L14 VanDerWaalsContact OG-CB 3.31Å; S11-L14 WeakPolarHBondContact OG-CB 3.23Å; S11-L14 PolarHBondContact OG-N 3.09Å; S11-V15 PolarHBondContact O-N 3.2Å; S11-Y124 WeakPolarHBondContact CB-O 3.36Å; S11-Y124 PolarHBondContact N-O 3.24Å; S11-Y124 WeakPolarHBondContact OG-CB 3.3Å; S11-Y124 WeakPolarHBondContact OG-CD1 3.41Å; S11-Y124 PolarHBondContact OG-O 2.91Å
12N95.3Very high91Very high11 Ų1144.6 Ų44.66%0.05925%0.254CS..Hα-helixtrans-63-36.3177.4-71.1-5.7000112L14 V15 E16 Q131 F132 T133 Q157N12-L14 VanDerWaalsContact C-N 3.31Å; N12-L14 PolarHBondContact O-N 2.92Å; N12-V15 PolarHBondContact O-N 3.11Å; N12-V15 VanDerWaalsContact O-N 3.1Å; N12-E16 WeakPolarHBondContact O-CG 3.3Å; N12-E16 PolarHBondContact O-N 3.38Å; N12-Q131 HydrophobicContact CB-CB 4.3Å; N12-Q131 PolarHBondContact N-O 2.88Å; N12-Q131 PolarHBondContact ND2-OE1 3.33Å; N12-F132 WeakPolarHBondContact OD1-CA 3.35Å; N12-T133 PolarHBondContact OD1-N 3.01Å; N12-T133 PolarHBondContact OD1-OG1 3.16Å; N12-Q157 HydrophobicContact CB-CG 4.26Å
13A94.6Very high93.5Very high47 Ų4739.2 Ų39.239%0.38822%0.22SC..Hα-helixtrans-56.7-43.8173.200000112S11 E16 A17 L88 Y124S11-A13 VanDerWaalsContact C-N 3.27Å; S11-A13 PolarHBondContact O-N 3.26Å; A13-E16 PolarHBondContact O-N 3.06Å; A13-A17 WeakPolarHBondContact O-CB 3.38Å; A13-A17 PolarHBondContact O-N 2.83Å; A13-L88 WeakPolarHBondContact O-CD2 3.24Å; A13-Y124 HydrophobicContact CB-CD1 4.33Å; A13-Y124 HydrophobicContact CB-CE1 4.24Å
14L96.1Very high94.9Very high0 Ų035.1 Ų35.10%019%0.189CC..Hα-helixtrans-69.2-34.7176.3-178.561.9000112.4K10 S11 N12 A17 Y19 I86 W99 V121 Y124 L125K10-L14 HydrophobicContact CB-CD2 4.31Å; K10-L14 HydrophobicContact CD-CD2 4.33Å; K10-L14 HydrophobicContact CG-CD2 4.2Å; S11-L14 PolarHBondContact O-N 2.59Å; S11-L14 VanDerWaalsContact O-N 3.16Å; S11-L14 VanDerWaalsContact OG-CB 3.31Å; S11-L14 WeakPolarHBondContact OG-CB 3.23Å; S11-L14 PolarHBondContact OG-N 3.09Å; N12-L14 VanDerWaalsContact C-N 3.31Å; N12-L14 PolarHBondContact O-N 2.92Å; L14-A17 WeakPolarHBondContact O-CB 3.47Å; L14-A17 PolarHBondContact O-N 2.87Å; L14-Y19 WeakPolarHBondContact O-CE1 3.33Å; L14-I86 HydrophobicContact CD1-CD1 3.68Å; L14-I86 HydrophobicContact CD1-CG1 4.18Å; L14-I86 HydrophobicContact CD1-CG2 3.83Å; L14-W99 HydrophobicContact CD1-CH2 3.79Å; L14-W99 HydrophobicContact CD1-CZ2 4.37Å; L14-W99 HydrophobicContact CD1-CZ3 4.31Å; L14-W99 HydrophobicContact CD2-CH2 4.11Å; L14-W99 HydrophobicContact CD2-CZ3 4.11Å; L14-W99 HydrophobicContact CG-CH2 4.15Å; L14-V121 HydrophobicContact CD1-CG2 4.36Å; L14-V121 HydrophobicContact CD2-CG2 4.11Å; L14-Y124 HydrophobicContact CB-CG 4.46Å; L14-L125 HydrophobicContact CD2-CD2 3.54Å; L14-L125 HydrophobicContact CD2-CG 4.27Å
15V96.8Very high95.8Very high0 Ų028.1 Ų28.10%015%0.152CC..Hα-helixtrans-64.7-41.7175.5169.70000111.5K10 S11 N12 A17 T133 R150 E153 I154K10-V15 HydrophobicContact CB-CG2 3.84Å; K10-V15 HydrophobicContact CD-CG2 4.29Å; S11-V15 PolarHBondContact O-N 3.2Å; N12-V15 PolarHBondContact O-N 3.11Å; N12-V15 VanDerWaalsContact O-N 3.1Å; V15-A17 VanDerWaalsContact C-N 3.34Å; V15-T133 HydrophobicContact CG2-CG2 4.13Å; V15-R150 PolarHBondContact O-NH1 2.83Å; V15-R150 PolarHBondContact O-NH2 2.97Å; V15-E153 HydrophobicContact CG1-CB 4.05Å; V15-I154 HydrophobicContact CG1-CG1 4.2Å
16E95.8Very high96.3Very high81 Ų8125 Ų2538%0.37913%0.131SC..Hα-helixtrans-78.8-17.1-179.9-67-176.2158.800113.4N12 A13 Q157 R164 S174N12-E16 WeakPolarHBondContact O-CG 3.3Å; N12-E16 PolarHBondContact O-N 3.38Å; A13-E16 PolarHBondContact O-N 3.06Å; E16-Q157 PolarHBondContact OE1-NE2 2.87Å; E16-Q157 PolarHBondContact OE1-OE1 3.47Å; E16-R164 IonicContact OE1-CZ 3.11Å; E16-R164 IonicContact OE1-NH2 3.83Å; E16-R164 PolarHBondContact OE1-NH2 3.22Å; E16-S174 WeakPolarHBondContact O-CB 3.46Å
17A97.1Very high96.4Very high4 Ų421.5 Ų21.53%0.03311%0.112CC..SBendtrans-54151.1178.900000113.7A13 L14 V15 Y19 I86 L88 R150A13-A17 WeakPolarHBondContact O-CB 3.38Å; A13-A17 PolarHBondContact O-N 2.83Å; L14-A17 WeakPolarHBondContact O-CB 3.47Å; L14-A17 PolarHBondContact O-N 2.87Å; V15-A17 VanDerWaalsContact C-N 3.34Å; A17-Y19 HydrophobicContact CB-CD1 4.13Å; A17-Y19 HydrophobicContact CB-CE1 4.4Å; A17-Y19 PolarHBondContact O-N 3.32Å; A17-I86 HydrophobicContact CB-CG2 3.62Å; A17-L88 HydrophobicContact CB-CD2 3.49Å; A17-L88 VanDerWaalsContact CB-CD2 3.49Å; A17-L88 HydrophobicContact CB-CG 4.42Å; A17-R150 PolarHBondContact O-NH2 2.86Å
18S97.9Very high96.5Very high9 Ų920.1 Ų20.16%0.06311%0.105CC..BIsolated β-bridgetrans-82.8111.9174.6-70.50000110.4I87 S173S18-I87 PolarHBondContact N-O 3.11Å; S18-I87 PolarHBondContact O-N 3.33Å; S18-S173 WeakPolarHBondContact CB-O 3.4Å; S18-S173 VanDerWaalsContact OG-C 3.26Å; S18-S173 PolarHBondContact OG-O 2.77Å; S18-S173 PolarHBondContact OG-OG 3.34Å
19Y98Very high96.5Very high2 Ų220.2 Ų20.21%0.00811%0.106CC..  trans-155.2158.1169.460.4-96.9000111.4K10 L14 A17 L21 S85 W99 R150 E153K10-Y19 PolarHBondContact NZ-OH 2.9Å; L14-Y19 WeakPolarHBondContact O-CE1 3.33Å; A17-Y19 HydrophobicContact CB-CD1 4.13Å; A17-Y19 HydrophobicContact CB-CE1 4.4Å; A17-Y19 PolarHBondContact O-N 3.32Å; Y19-L21 HydrophobicContact CD2-CD1 3.89Å; Y19-L21 HydrophobicContact CD2-CG 3.92Å; Y19-L21 HydrophobicContact CE2-CD1 3.79Å; Y19-L21 HydrophobicContact CE2-CG 4.29Å; Y19-S85 VanDerWaalsContact CB-O 3.32Å; Y19-S85 WeakPolarHBondContact CB-O 3.1Å; Y19-W99 AromaticContact CD1-CZ2 3.85Å; Y19-W99 HydrophobicContact CD1-CZ2 3.85Å; Y19-W99 AromaticContact CD2-CZ2 3.89Å; Y19-W99 HydrophobicContact CD2-CZ2 3.89Å; Y19-W99 HydrophobicContact CE1-CH2 4.16Å; Y19-W99 AromaticContact CE1-CZ2 3.72Å; Y19-W99 HydrophobicContact CE1-CZ2 3.72Å; Y19-W99 HydrophobicContact CE2-CH2 4.5Å; Y19-W99 AromaticContact CE2-CZ2 3.78Å; Y19-W99 HydrophobicContact CE2-CZ2 3.78Å; Y19-W99 AromaticContact CG-CZ2 3.9Å; Y19-W99 HydrophobicContact CG-CZ2 3.9Å; Y19-W99 AromaticContact CZ-CZ2 3.66Å; Y19-R150 VanDerWaalsContact OH-CZ 3.26Å; Y19-R150 PolarHBondContact OH-NH1 3.16Å; Y19-E153 PolarHBondContact OH-OE2 3.16Å
20K96.7Very high96.6Very high85 Ų8517.2 Ų17.237%0.379%0.094SC..  trans-127.2129.7173.8-174.8176.7178.1-174.60110.7R84 M176K20-R84 WeakPolarHBondContact O-CD 3.36Å; K20-M176 HydrophobicContact CB-CB 4.21Å; K20-M176 HydrophobicContact CB-CG 4.34Å; K20-M176 HydrophobicContact CB-SD 3.88Å; K20-M176 PolarHBondContact N-SD 3.03Å; K20-M176 VanDerWaalsContact N-SD 3.44Å
21L97.7Very high96.7Very high3 Ų317.1 Ų17.12%0.0169%0.094CC..  trans-132.5151.4176.8-63.9172.6000109.4Y19 E25 Q26 L29 L81 R84 W99 S146Y19-L21 HydrophobicContact CD2-CD1 3.89Å; Y19-L21 HydrophobicContact CD2-CG 3.92Å; Y19-L21 HydrophobicContact CE2-CD1 3.79Å; Y19-L21 HydrophobicContact CE2-CG 4.29Å; L21-E25 VanDerWaalsContact CA-OE2 3.23Å; L21-E25 WeakPolarHBondContact CA-OE2 3.33Å; L21-E25 HydrophobicContact CB-CB 4.03Å; L21-E25 HydrophobicContact CD2-CB 4.17Å; L21-Q26 HydrophobicContact CB-CG 3.42Å; L21-Q26 VanDerWaalsContact CB-CG 3.42Å; L21-Q26 HydrophobicContact CD1-CG 3.81Å; L21-Q26 HydrophobicContact CG-CG 4.28Å; L21-L29 HydrophobicContact CD1-CD1 3.45Å; L21-L29 VanDerWaalsContact CD1-CD1 3.45Å; L21-L29 HydrophobicContact CD2-CD1 4.42Å; L21-L81 HydrophobicContact CD2-CD1 4.22Å; L21-R84 HydrophobicContact CD2-CB 3.68Å; L21-R84 HydrophobicContact CD2-CG 3.47Å; L21-R84 VanDerWaalsContact CD2-CG 3.47Å; L21-W99 HydrophobicContact CD1-CZ2 4.26Å; L21-S146 WeakPolarHBondContact O-CB 3.41Å
22T96.8Very high96.7Very high35 Ų3516.4 Ų16.422%0.2159%0.089CC..  trans-73.1167.6168.666.60000110.4Q24 E25 Q26T22-Q24 VanDerWaalsContact C-N 3.3Å; T22-Q24 PolarHBondContact O-N 2.81Å; T22-E25 VanDerWaalsContact CG2-OE1 3.25Å; T22-E25 WeakPolarHBondContact CG2-OE1 3.33Å; T22-E25 PolarHBondContact N-OE2 3.34Å; T22-E25 PolarHBondContact O-N 2.98Å; T22-E25 WeakPolarHBondContact OG1-CG 3.2Å; T22-E25 PolarHBondContact OG1-N 2.83Å; T22-E25 PolarHBondContact OG1-OE1 2.88Å; T22-Q26 WeakPolarHBondContact O-CG 2.97Å; T22-Q26 PolarHBondContact O-N 2.92Å
23L96.8Very high96.8Very high30 Ų3016 Ų1616%0.1579%0.087CC..Hα-helixtrans-54.9-48.4178.5177.865.4000111.3Q26 R27 L143 S144 I149L23-Q26 PolarHBondContact O-N 2.79Å; L23-R27 HydrophobicContact CD1-CG 4.39Å; L23-R27 WeakPolarHBondContact O-CG 3.46Å; L23-R27 PolarHBondContact O-N 3.43Å; L23-L143 WeakPolarHBondContact CD1-O 3.19Å; L23-S144 WeakPolarHBondContact CD2-O 2.96Å; L23-I149 HydrophobicContact CD1-CD1 3.59Å
24Q95.7Very high96.8Very high24 Ų2414.6 Ų14.611%0.1127%0.074CC..Hα-helixtrans-71.1-37.3-176.1-52.1-50.9-24.100112.1T22 Q26 R27 F28 Y58 Q73 A77T22-Q24 VanDerWaalsContact C-N 3.3Å; T22-Q24 PolarHBondContact O-N 2.81Å; Q24-Q26 VanDerWaalsContact C-N 3.33Å; Q24-Q26 PolarHBondContact O-N 3.34Å; Q24-R27 PolarHBondContact O-N 2.8Å; Q24-F28 WeakPolarHBondContact O-CB 3.41Å; Q24-F28 PolarHBondContact O-N 2.94Å; Q24-Y58 WeakPolarHBondContact CA-OH 3.27Å; Q24-Y58 PolarHBondContact O-OH 2.85Å; Q24-Y58 PolarHBondContact OE1-OH 3.41Å; Q24-Q73 HydrophobicContact CG-CB 4.24Å; Q24-Q73 HydrophobicContact CG-CG 4.43Å; Q24-Q73 VanDerWaalsContact OE1-OE1 3.13Å; Q24-A77 HydrophobicContact CB-CB 4.01Å
25E97Very high96.6Very high0 Ų018.8 Ų18.80%09%0.09CC..Hα-helixtrans-59.3-42.8172.1-72156.6-14900111.9L21 T22 L29 R80 R84L21-E25 VanDerWaalsContact CA-OE2 3.23Å; L21-E25 WeakPolarHBondContact CA-OE2 3.33Å; L21-E25 HydrophobicContact CB-CB 4.03Å; L21-E25 HydrophobicContact CD2-CB 4.17Å; T22-E25 VanDerWaalsContact CG2-OE1 3.25Å; T22-E25 WeakPolarHBondContact CG2-OE1 3.33Å; T22-E25 PolarHBondContact N-OE2 3.34Å; T22-E25 PolarHBondContact O-N 2.98Å; T22-E25 WeakPolarHBondContact OG1-CG 3.2Å; T22-E25 PolarHBondContact OG1-N 2.83Å; T22-E25 PolarHBondContact OG1-OE1 2.88Å; E25-L29 WeakPolarHBondContact O-CB 3.38Å; E25-L29 WeakPolarHBondContact O-CG 3.4Å; E25-L29 PolarHBondContact O-N 3.49Å; E25-R80 HydrophobicContact CG-CB 4.34Å; E25-R80 WeakPolarHBondContact OE1-CB 3.42Å; E25-R80 VanDerWaalsContact OE1-CD 3.29Å; E25-R80 WeakPolarHBondContact OE1-CD 3.39Å; E25-R80 IonicContact OE1-CZ 2.78Å; E25-R80 IonicContact OE1-NE 3.51Å; E25-R80 PolarHBondContact OE1-NE 2.88Å; E25-R80 VanDerWaalsContact OE1-NE 3.12Å; E25-R84 IonicContact OE1-CZ 3.65Å; E25-R84 IonicContact OE1-NE 2.78Å; E25-R84 IonicContact OE1-NH2 3.51Å; E25-R84 PolarHBondContact OE1-NH2 3.18Å; E25-R84 IonicContact OE2-CZ 3.79Å; E25-R84 IonicContact OE2-NE 3.57Å; E25-R84 PolarHBondContact OE2-NE 3.46Å; E25-R84 IonicContact OE2-NH2 3.12Å; E25-R84 PolarHBondContact OE2-NH2 3.22Å
26Q97.6Very high96.4Very high8 Ų819.3 Ų19.34%0.0379%0.092CC..Hα-helixtrans-67.2-46.4178.1-70.9179.6-8.600112.3L21 T22 L23 Q24 F28 L29 L30 S146 I149L21-Q26 HydrophobicContact CB-CG 3.42Å; L21-Q26 VanDerWaalsContact CB-CG 3.42Å; L21-Q26 HydrophobicContact CD1-CG 3.81Å; L21-Q26 HydrophobicContact CG-CG 4.28Å; T22-Q26 WeakPolarHBondContact O-CG 2.97Å; T22-Q26 PolarHBondContact O-N 2.92Å; L23-Q26 PolarHBondContact O-N 2.79Å; Q24-Q26 VanDerWaalsContact C-N 3.33Å; Q24-Q26 PolarHBondContact O-N 3.34Å; Q26-F28 VanDerWaalsContact C-N 3.33Å; Q26-F28 PolarHBondContact O-N 2.68Å; Q26-L29 PolarHBondContact O-N 3.11Å; Q26-L30 WeakPolarHBondContact O-CB 3.41Å; Q26-L30 VanDerWaalsContact O-CG 3.29Å; Q26-L30 WeakPolarHBondContact O-CG 3.43Å; Q26-L30 PolarHBondContact O-N 3.42Å; Q26-S146 PolarHBondContact NE2-O 3.01Å; Q26-S146 PolarHBondContact OE1-O 2.76Å; Q26-I149 HydrophobicContact CB-CD1 4.33Å; Q26-I149 VanDerWaalsContact OE1-CB 3.28Å
27R97Very high95.7Very high1 Ų120.2 Ų20.20%0.00410%0.1CC..Hα-helixtrans-58.2-48177.6-75.9-179.7173.4-165.5-2111L23 Q24 L30 L31 Y58 F62 D64 S141 L143 I149L23-R27 HydrophobicContact CD1-CG 4.39Å; L23-R27 WeakPolarHBondContact O-CG 3.46Å; L23-R27 PolarHBondContact O-N 3.43Å; Q24-R27 PolarHBondContact O-N 2.8Å; R27-L30 PolarHBondContact O-N 3.33Å; R27-L31 PolarHBondContact O-N 3.25Å; R27-Y58 HydrophobicContact CB-CE2 3.98Å; R27-Y58 WeakPolarHBondContact CB-OH 3.32Å; R27-F62 HydrophobicContact CB-CD1 4.15Å; R27-F62 HydrophobicContact CB-CD2 3.88Å; R27-F62 HydrophobicContact CB-CE1 3.89Å; R27-F62 HydrophobicContact CB-CE2 3.59Å; R27-F62 HydrophobicContact CB-CG 4.16Å; R27-F62 HydrophobicContact CB-CZ 3.58Å; R27-F62 HydrophobicContact CG-CD1 3.69Å; R27-F62 HydrophobicContact CG-CD2 4.32Å; R27-F62 HydrophobicContact CG-CE1 3.54Å; R27-F62 HydrophobicContact CG-CE2 4.18Å; R27-F62 HydrophobicContact CG-CG 4.09Å; R27-F62 HydrophobicContact CG-CZ 3.79Å; R27-F62 WeakPolarHBondContact O-CE2 3.43Å; R27-F62 WeakPolarHBondContact O-CZ 3.3Å; R27-D64 IonicContact CZ-OD1 2.65Å; R27-D64 IonicContact CZ-OD2 3.21Å; R27-D64 IonicContact NH1-OD1 3.81Å; R27-D64 PolarHBondContact NH1-OD1 2.8Å; R27-D64 IonicContact NH1-OD2 3.92Å; R27-D64 IonicContact NH2-OD1 3.97Å; R27-D64 PolarHBondContact NH2-OD1 2.85Å; R27-D64 IonicContact NH2-OD2 2.95Å; R27-D64 PolarHBondContact NH2-OD2 2.93Å; R27-S141 PolarHBondContact NH2-O 2.95Å; R27-L143 PolarHBondContact NH2-O 2.89Å; R27-I149 HydrophobicContact CG-CD1 4.38Å
28F96.3Very high94.3Very high0 Ų022.9 Ų22.90%012%0.118CC..Hα-helixtrans-60.2-49.1177.2178.5-104000112.2Q24 Q26 L30 L31 C32 I53 Y58 L74 A77 I78 L81 I115Q24-F28 WeakPolarHBondContact O-CB 3.41Å; Q24-F28 PolarHBondContact O-N 2.94Å; Q26-F28 VanDerWaalsContact C-N 3.33Å; Q26-F28 PolarHBondContact O-N 2.68Å; F28-L30 PolarHBondContact O-N 2.85Å; F28-L31 PolarHBondContact O-N 3.16Å; F28-C32 WeakPolarHBondContact CZ-SG 3.32Å; F28-C32 PolarHBondContact O-N 3.21Å; F28-C32 PolarHBondContact O-SG 2.9Å; F28-I53 HydrophobicContact CE2-CB 3.84Å; F28-I53 HydrophobicContact CE2-CG1 3.82Å; F28-I53 HydrophobicContact CE2-CG2 4.14Å; F28-I53 HydrophobicContact CZ-CG1 4.32Å; F28-Y58 HydrophobicContact CB-CE2 4.04Å; F28-L74 HydrophobicContact CD2-CD1 3.37Å; F28-L74 HydrophobicContact CE2-CD1 3.38Å; F28-L74 HydrophobicContact CG-CD1 4.39Å; F28-L74 HydrophobicContact CZ-CD1 4.41Å; F28-A77 HydrophobicContact CB-CB 4.01Å; F28-A77 HydrophobicContact CG-CB 4.41Å; F28-I78 HydrophobicContact CD1-CG2 4.12Å; F28-I78 HydrophobicContact CD2-CG2 4.44Å; F28-I78 HydrophobicContact CE1-CG2 3.72Å; F28-I78 HydrophobicContact CE2-CG2 4.06Å; F28-I78 HydrophobicContact CG-CG2 4.46Å; F28-I78 HydrophobicContact CZ-CG2 3.68Å; F28-L81 HydrophobicContact CD1-CD2 3.93Å; F28-L81 HydrophobicContact CE1-CD2 3.96Å; F28-I115 HydrophobicContact CE1-CD1 4.04Å; F28-I115 HydrophobicContact CE1-CG1 4.5Å; F28-I115 HydrophobicContact CE1-CG2 3.58Å; F28-I115 HydrophobicContact CZ-CD1 4.35Å; F28-I115 HydrophobicContact CZ-CG1 4.43Å; F28-I115 HydrophobicContact CZ-CG2 3.63Å
29L97.2Very high92.5Very high1 Ų125 Ų251%0.00514%0.142CC..Hα-helixtrans-61.1-43.8177.2-82-177.6000112.5L21 E25 Q26 L31 C32 I33 L81 W99 F117L21-L29 HydrophobicContact CD1-CD1 3.45Å; L21-L29 VanDerWaalsContact CD1-CD1 3.45Å; L21-L29 HydrophobicContact CD2-CD1 4.42Å; E25-L29 WeakPolarHBondContact O-CB 3.38Å; E25-L29 WeakPolarHBondContact O-CG 3.4Å; E25-L29 PolarHBondContact O-N 3.49Å; Q26-L29 PolarHBondContact O-N 3.11Å; L29-L31 VanDerWaalsContact C-N 3.31Å; L29-L31 PolarHBondContact O-N 2.84Å; L29-C32 WeakPolarHBondContact O-CB 3.4Å; L29-C32 PolarHBondContact O-N 3.28Å; L29-I33 WeakPolarHBondContact O-CB 3.5Å; L29-I33 WeakPolarHBondContact O-CG1 3.43Å; L29-I33 PolarHBondContact O-N 3.4Å; L29-L81 HydrophobicContact CD1-CD1 3.73Å; L29-L81 HydrophobicContact CD2-CD1 3.95Å; L29-L81 HydrophobicContact CD2-CD2 3.67Å; L29-L81 HydrophobicContact CD2-CG 4.42Å; L29-L81 HydrophobicContact CG-CD1 3.82Å; L29-L81 HydrophobicContact CG-CD2 4.1Å; L29-W99 HydrophobicContact CD1-CD2 3.59Å; L29-W99 HydrophobicContact CD1-CE3 3.7Å; L29-W99 HydrophobicContact CD1-CG 4.02Å; L29-W99 HydrophobicContact CD1-CZ2 4.4Å; L29-W99 HydrophobicContact CD1-CZ3 4.17Å; L29-W99 HydrophobicContact CD2-CE3 4.23Å; L29-F117 HydrophobicContact CD2-CE1 3.84Å; L29-F117 HydrophobicContact CD2-CZ 4.4Å
30L97.6Very high90.6Very high1 Ų131.4 Ų31.41%0.00518%0.181CC..Hα-helixtrans-62.7-39.9178.5-74.3170.7000111.4A8 Q26 R27 F28 I33 S34 V135 I140 I149A8-L30 HydrophobicContact CB-CB 4.46Å; A8-L30 HydrophobicContact CB-CD2 3.73Å; Q26-L30 WeakPolarHBondContact O-CB 3.41Å; Q26-L30 VanDerWaalsContact O-CG 3.29Å; Q26-L30 WeakPolarHBondContact O-CG 3.43Å; Q26-L30 PolarHBondContact O-N 3.42Å; R27-L30 PolarHBondContact O-N 3.33Å; F28-L30 PolarHBondContact O-N 2.85Å; L30-I33 PolarHBondContact O-N 3.27Å; L30-S34 WeakPolarHBondContact O-CB 3.47Å; L30-S34 PolarHBondContact O-N 2.9Å; L30-V135 HydrophobicContact CD1-CG1 4.47Å; L30-V135 HydrophobicContact CD2-CB 4.45Å; L30-V135 HydrophobicContact CD2-CG1 4.24Å; L30-I140 HydrophobicContact CD1-CD1 3.69Å; L30-I140 HydrophobicContact CD1-CG1 4.25Å; L30-I149 HydrophobicContact CD1-CG2 3.85Å
31L96.9Very high89Confident3 Ų335 Ų352%0.01621%0.205CC..Hα-helixtrans-61.2-46.3173.1-179.656.9000111.6L6 R27 F28 L29 S34 I53 Y58 S61 F62 I137L6-L31 HydrophobicContact CD1-CD1 3.8Å; R27-L31 PolarHBondContact O-N 3.25Å; F28-L31 PolarHBondContact O-N 3.16Å; L29-L31 VanDerWaalsContact C-N 3.31Å; L29-L31 PolarHBondContact O-N 2.84Å; L31-S34 PolarHBondContact O-N 2.86Å; L31-S34 PolarHBondContact O-OG 3.26Å; L31-I53 HydrophobicContact CD2-CD1 4.41Å; L31-I53 HydrophobicContact CD2-CG2 3.71Å; L31-I53 HydrophobicContact CG-CD1 4.15Å; L31-Y58 HydrophobicContact CD2-CD2 3.99Å; L31-S61 WeakPolarHBondContact CD1-OG 3.3Å; L31-F62 HydrophobicContact CB-CE2 4.31Å; L31-I137 HydrophobicContact CB-CD1 4.29Å; L31-I137 HydrophobicContact CD1-CD1 4.17Å
32C96.4Very high87.5Confident0 Ų037 Ų370%022%0.217CC..Hα-helixtrans-60.6-47.6176.3-66.10000112.1F28 L29 S34 R35 M51 I53 I115 F117F28-C32 WeakPolarHBondContact CZ-SG 3.32Å; F28-C32 PolarHBondContact O-N 3.21Å; F28-C32 PolarHBondContact O-SG 2.9Å; L29-C32 WeakPolarHBondContact O-CB 3.4Å; L29-C32 PolarHBondContact O-N 3.28Å; C32-S34 PolarHBondContact O-N 3.23Å; C32-R35 WeakPolarHBondContact O-CB 3.32Å; C32-R35 PolarHBondContact O-N 2.94Å; C32-M51 VanDerWaalsContact CA-SD 3.52Å; C32-M51 HydrophobicContact CB-SD 3.5Å; C32-M51 VanDerWaalsContact CB-SD 3.5Å; C32-I53 VanDerWaalsContact SG-CG1 3.59Å; C32-I115 HydrophobicContact CB-CD1 3.71Å; C32-I115 WeakPolarHBondContact SG-CD1 3.13Å; C32-F117 HydrophobicContact CB-CE2 4.03Å; C32-F117 HydrophobicContact CB-CZ 3.73Å
33I96.2Very high86.4Confident2 Ų237.9 Ų37.91%0.0123%0.227CC..Hα-helixtrans-61.2-33.6178-66.4166.1000110.8A8 Y9 K10 L29 L30 R35 L36 W99 F117 L125A8-I33 HydrophobicContact CB-CB 3.99Å; A8-I33 HydrophobicContact CB-CG2 3.71Å; Y9-I33 VanDerWaalsContact O-CG2 3.23Å; Y9-I33 WeakPolarHBondContact O-CG2 2.93Å; K10-I33 HydrophobicContact CD-CD1 4.48Å; K10-I33 HydrophobicContact CG-CD1 4.35Å; L29-I33 WeakPolarHBondContact O-CB 3.5Å; L29-I33 WeakPolarHBondContact O-CG1 3.43Å; L29-I33 PolarHBondContact O-N 3.4Å; L30-I33 PolarHBondContact O-N 3.27Å; I33-R35 PolarHBondContact O-N 2.76Å; I33-R35 VanDerWaalsContact O-N 3.16Å; I33-L36 WeakPolarHBondContact O-CB 3.39Å; I33-L36 PolarHBondContact O-N 3.35Å; I33-W99 HydrophobicContact CD1-CZ3 4.49Å; I33-F117 HydrophobicContact CG1-CE1 4.26Å; I33-F117 HydrophobicContact CG1-CZ 3.74Å; I33-L125 HydrophobicContact CD1-CD2 3.77Å; I33-L125 HydrophobicContact CG1-CD1 4.19Å; I33-L125 HydrophobicContact CG1-CD2 3.95Å; I33-L125 HydrophobicContact CG2-CD2 4.12Å
34S94.9Very high85.5Confident17 Ų1739 Ų3912%0.11924%0.238CC..THydrogen-bonded Turntrans-67.1-12.4177.876.90000115.2I7 L30 L31 C32I7-S34 VanDerWaalsContact O-CA 3.23Å; I7-S34 WeakPolarHBondContact O-CA 3.2Å; I7-S34 WeakPolarHBondContact O-CB 3.43Å; L30-S34 WeakPolarHBondContact O-CB 3.47Å; L30-S34 PolarHBondContact O-N 2.9Å; L31-S34 PolarHBondContact O-N 2.86Å; L31-S34 PolarHBondContact O-OG 3.26Å; C32-S34 PolarHBondContact O-N 3.23Å
35R92.8Very high84.7Confident88 Ų8840.1 Ų40.133%0.33225%0.247SC..THydrogen-bonded Turntrans-89.4-12.7172-63.7-167.5170.9-172.4-0.8113.5C32 I33 N37 M51 T52 E57C32-R35 WeakPolarHBondContact O-CB 3.32Å; C32-R35 PolarHBondContact O-N 2.94Å; I33-R35 PolarHBondContact O-N 2.76Å; I33-R35 VanDerWaalsContact O-N 3.16Å; R35-N37 PolarHBondContact O-N 2.65Å; R35-M51 HydrophobicContact CB-SD 4.3Å; R35-T52 PolarHBondContact NH1-O 3.19Å; R35-E57 IonicContact CZ-OE1 3.24Å; R35-E57 IonicContact CZ-OE2 2.75Å; R35-E57 IonicContact NH1-OE2 2.72Å; R35-E57 IonicContact NH2-OE1 2.75Å; R35-E57 PolarHBondContact NH2-OE1 2.98Å; R35-E57 IonicContact NH2-OE2 3.74Å; R35-E57 PolarHBondContact NH2-OE2 3.21Å
36L92.1Very high84.1Confident11 Ų1145.5 Ų45.56%0.05827%0.272CS..  trans-73.5125.3175.7-60177.1000108.4I33 Q48 M51 F117 M122 L125 T126I33-L36 WeakPolarHBondContact O-CB 3.39Å; I33-L36 PolarHBondContact O-N 3.35Å; L36-Q48 HydrophobicContact CD2-CB 3.87Å; L36-M51 HydrophobicContact CD2-CE 3.6Å; L36-M51 HydrophobicContact CG-CE 4.22Å; L36-F117 HydrophobicContact CD1-CD2 4.3Å; L36-F117 HydrophobicContact CD1-CE2 3.99Å; L36-F117 HydrophobicContact CD2-CD2 4.48Å; L36-F117 HydrophobicContact CD2-CE2 4.44Å; L36-F117 HydrophobicContact CG-CE2 4.4Å; L36-M122 HydrophobicContact CD2-CE 4.44Å; L36-L125 HydrophobicContact CD1-CB 3.66Å; L36-L125 HydrophobicContact CD1-CD1 3.82Å; L36-L125 HydrophobicContact CD1-CG 4.31Å; L36-T126 HydrophobicContact CD1-CG2 4.44Å
37N80.7Confident83.4Confident101 Ų10151.5 Ų51.554%0.5430%0.304SS..  trans-92.3140172.9-68.9-50.8000108.5R35 V42 Q48R35-N37 PolarHBondContact O-N 2.65Å; N37-V42 HydrophobicContact CB-CB 4.32Å; N37-V42 HydrophobicContact CB-CG1 3.22Å; N37-V42 HydrophobicContact CB-CG2 4.08Å; N37-Q48 PolarHBondContact O-NE2 3.46Å; N37-Q48 PolarHBondContact O-OE1 3.05Å
38S67.7Low83Confident59 Ų5952.4 Ų52.441%0.41331%0.308SS..  trans-120.1133.8172.751.40000109.1
39G61.2Low82.9Confident55 Ų5553.6 Ų53.657%0.56731%0.314SS*.SBendtrans154.6169.1-17600000113.1
40T56.9Low82.8Confident136 Ų13656.5 Ų56.583%0.83433%0.331SS*.THydrogen-bonded Turntrans-76.2-30.7179.848.60000113.3V42T40-V42 VanDerWaalsContact C-N 3.32Å
41D63.4Low82.6Confident160 Ų16057.3 Ų57.386%0.85634%0.335SS*.THydrogen-bonded Turntrans-99.526.4-177.3-58.9-26.4000112.3
42V67.3Low82.5Confident46 Ų4659.3 Ų59.328%0.27935%0.347SS..SBendtrans-104.9147.7-175.5-177.20000109.6N37 T40 S44 Q48N37-V42 HydrophobicContact CB-CB 4.32Å; N37-V42 HydrophobicContact CB-CG1 3.22Å; N37-V42 HydrophobicContact CB-CG2 4.08Å; T40-V42 VanDerWaalsContact C-N 3.32Å; V42-S44 PolarHBondContact O-N 3.41Å; V42-Q48 VanDerWaalsContact CG1-NE2 3.28Å
43A72.5Confident82.4Confident52 Ų5259.3 Ų59.343%0.4335%0.347SS..  trans-44.9140.7169.400000111.2L47 Q48A43-L47 HydrophobicContact CB-CB 4.06Å; A43-L47 HydrophobicContact CB-CD1 4.27Å; A43-Q48 HydrophobicContact CB-CG 4.14Å; A43-Q48 PolarHBondContact O-NE2 2.91Å
44S78.9Confident82.4Confident55 Ų5561.2 Ų61.239%0.38536%0.359SS..  trans-54.6151.8-17965.90000111.1V42 E46 L47 Q48V42-S44 PolarHBondContact O-N 3.41Å; S44-E46 PolarHBondContact O-N 2.97Å; S44-L47 PolarHBondContact O-N 3.18Å; S44-L47 WeakPolarHBondContact OG-CG 3.24Å; S44-Q48 PolarHBondContact O-N 2.85Å
45P79.2Confident82.4Confident47 Ų4760.8 Ų60.831%0.30536%0.357SS..Hα-helixtrans-49.7-36.7177.1-29.636000113.2L47 Q48 K49 M122P45-L47 VanDerWaalsContact C-N 3.31Å; P45-L47 PolarHBondContact O-N 3.02Å; P45-Q48 PolarHBondContact O-N 3.4Å; P45-Q48 VanDerWaalsContact O-N 3.1Å; P45-K49 PolarHBondContact O-N 2.88Å; P45-K49 VanDerWaalsContact O-N 3.11Å; P45-M122 HydrophobicContact CB-CE 4Å; P45-M122 WeakPolarHBondContact O-CE 3.22Å
46E82.4Confident82.5Confident113 Ų11362.1 Ų62.153%0.52837%0.367SS..Hα-helixtrans-59.7-34.1175.7-68.3-58.2141.800114.3S44 Q48 K49S44-E46 PolarHBondContact O-N 2.97Å; E46-Q48 VanDerWaalsContact C-N 3.3Å; E46-K49 IonicContact OE1-NZ 3.88Å; E46-K49 VanDerWaalsContact OE2-CE 3.23Å; E46-K49 WeakPolarHBondContact OE2-CE 3.44Å; E46-K49 IonicContact OE2-NZ 2.58Å; E46-K49 PolarHBondContact OE2-NZ 3.44Å
47L83.9Confident82.6Confident133 Ų13364.7 Ų64.770%0.69638%0.378SS*.Hα-helixtrans-81.1-13.2178.3-67.2175000112.8A43 S44 P45A43-L47 HydrophobicContact CB-CB 4.06Å; A43-L47 HydrophobicContact CB-CD1 4.27Å; S44-L47 PolarHBondContact O-N 3.18Å; S44-L47 WeakPolarHBondContact OG-CG 3.24Å; P45-L47 VanDerWaalsContact C-N 3.31Å; P45-L47 PolarHBondContact O-N 3.02Å
48Q88.7Confident83.3Confident20 Ų2059.9 Ų59.99%0.09335%0.353CS..Hα-helixtrans-104-19.5-176.3-60.8-168.968.200113.5L36 N37 V42 A43 S44 P45 E46 T50 M51L36-Q48 HydrophobicContact CD2-CB 3.87Å; N37-Q48 PolarHBondContact O-NE2 3.46Å; N37-Q48 PolarHBondContact O-OE1 3.05Å; V42-Q48 VanDerWaalsContact CG1-NE2 3.28Å; A43-Q48 HydrophobicContact CB-CG 4.14Å; A43-Q48 PolarHBondContact O-NE2 2.91Å; S44-Q48 PolarHBondContact O-N 2.85Å; P45-Q48 PolarHBondContact O-N 3.4Å; P45-Q48 VanDerWaalsContact O-N 3.1Å; E46-Q48 VanDerWaalsContact C-N 3.3Å; Q48-T50 PolarHBondContact O-N 3.19Å; Q48-M51 VanDerWaalsContact O-CE 3.29Å; Q48-M51 WeakPolarHBondContact O-CE 3.24Å
49K93.6Very high84.7Confident26 Ų2658.5 Ų58.511%0.11334%0.339CS..SBendtrans-64.6-28.5-173.268.7-178.8-170-171.30113.4P45 E46 T116 F117 D119 M122P45-K49 PolarHBondContact O-N 2.88Å; P45-K49 VanDerWaalsContact O-N 3.11Å; E46-K49 IonicContact OE1-NZ 3.88Å; E46-K49 VanDerWaalsContact OE2-CE 3.23Å; E46-K49 WeakPolarHBondContact OE2-CE 3.44Å; E46-K49 IonicContact OE2-NZ 2.58Å; E46-K49 PolarHBondContact OE2-NZ 3.44Å; K49-T116 HydrophobicContact CD-CG2 4.17Å; K49-T116 HydrophobicContact CG-CG2 4.01Å; K49-T116 CarbonylContact O-C 3.57Å; K49-T116 VanDerWaalsContact O-CA 3.27Å; K49-T116 WeakPolarHBondContact O-CA 3.49Å; K49-F117 HydrophobicContact CB-CB 4.34Å; K49-F117 PolarHBondContact O-N 3.28Å; K49-D119 IonicContact NZ-OD1 3.93Å; K49-D119 PolarHBondContact NZ-OD1 3.1Å; K49-M122 HydrophobicContact CB-CE 4.05Å; K49-M122 HydrophobicContact CB-CG 4.18Å; K49-M122 HydrophobicContact CB-SD 3.87Å
50T95.2Very high86.3Confident61 Ų6160.5 Ų60.537%0.37434%0.337SS..EExtended strand (participates in β ladder)trans-100.3128.3177.4-56.40000111.1Q48 Q114 I115 T116Q48-T50 PolarHBondContact O-N 3.19Å; T50-Q114 HydrophobicContact CG2-CG 3.93Å; T50-I115 CarbonylContact C-O 3.53Å; T50-I115 VanDerWaalsContact CA-O 3.24Å; T50-I115 WeakPolarHBondContact CA-O 3.23Å; T50-T116 WeakPolarHBondContact OG1-CG2 3.36Å; T50-T116 PolarHBondContact OG1-OG1 3.25Å
51M94Very high88.2Confident19 Ų1954.8 Ų54.89%0.09430%0.303CS..EExtended strand (participates in β ladder)trans-151.4159.2-179.764.9-170.969.300112.5C32 R35 L36 Q48 Q114 I115 F117C32-M51 VanDerWaalsContact CA-SD 3.52Å; C32-M51 HydrophobicContact CB-SD 3.5Å; C32-M51 VanDerWaalsContact CB-SD 3.5Å; R35-M51 HydrophobicContact CB-SD 4.3Å; L36-M51 HydrophobicContact CD2-CE 3.6Å; L36-M51 HydrophobicContact CG-CE 4.22Å; Q48-M51 VanDerWaalsContact O-CE 3.29Å; Q48-M51 WeakPolarHBondContact O-CE 3.24Å; M51-Q114 CarbonylContact O-C 3.51Å; M51-Q114 VanDerWaalsContact O-CA 3.28Å; M51-Q114 WeakPolarHBondContact O-CA 3.24Å; M51-Q114 WeakPolarHBondContact O-CG 3.29Å; M51-I115 HydrophobicContact CG-CD1 4.38Å; M51-I115 HydrophobicContact CG-CG1 3.81Å; M51-I115 PolarHBondContact N-O 3.37Å; M51-I115 PolarHBondContact O-N 2.9Å; M51-F117 HydrophobicContact CE-CD2 3.92Å; M51-F117 HydrophobicContact CE-CE2 3.56Å; M51-F117 HydrophobicContact SD-CE2 4.19Å
52T94.9Very high89.8Confident44 Ų4447.2 Ų47.227%0.2726%0.262SS..EExtended strand (participates in β ladder)trans-118.2128.5177.8-61.90000110.5R35 K112 A113R35-T52 PolarHBondContact NH1-O 3.19Å; T52-K112 HydrophobicContact CG2-CB 3.89Å; T52-K112 HydrophobicContact CG2-CD 4.03Å; T52-K112 HydrophobicContact CG2-CG 4.07Å; T52-A113 CarbonylContact C-O 3.6Å; T52-A113 VanDerWaalsContact CA-O 3.27Å; T52-A113 WeakPolarHBondContact CA-O 3.41Å
53I95Very high91.1Very high0 Ų048.1 Ų48.10%027%0.269CS..EExtended strand (participates in β ladder)trans-112.4133.3173.3-58.9-57.4000108.4F28 L31 C32 K112 A113F28-I53 HydrophobicContact CE2-CB 3.84Å; F28-I53 HydrophobicContact CE2-CG1 3.82Å; F28-I53 HydrophobicContact CE2-CG2 4.14Å; F28-I53 HydrophobicContact CZ-CG1 4.32Å; L31-I53 HydrophobicContact CD2-CD1 4.41Å; L31-I53 HydrophobicContact CD2-CG2 3.71Å; L31-I53 HydrophobicContact CG-CD1 4.15Å; C32-I53 VanDerWaalsContact SG-CG1 3.59Å; I53-K112 WeakPolarHBondContact O-CA 3.26Å; I53-A113 PolarHBondContact N-O 2.83Å; I53-A113 PolarHBondContact O-N 3.36Å
54T95.1Very high92.1Very high43 Ų4349.3 Ų49.326%0.26427%0.268SS..EExtended strand (participates in β ladder)trans-89.4157.8171.275.40000111.4E56 E57 Y58 G111 K112T54-E56 PolarHBondContact O-N 3.49Å; T54-E56 PolarHBondContact OG1-N 3.33Å; T54-E57 PolarHBondContact N-OE2 2.82Å; T54-E57 PolarHBondContact O-N 3.45Å; T54-E57 VanDerWaalsContact OG1-CG 3.23Å; T54-E57 WeakPolarHBondContact OG1-CG 3.25Å; T54-E57 PolarHBondContact OG1-N 2.99Å; T54-E57 VanDerWaalsContact OG1-N 3.1Å; T54-E57 PolarHBondContact OG1-OE2 3.38Å; T54-Y58 WeakPolarHBondContact O-CB 3.37Å; T54-Y58 PolarHBondContact O-N 2.96Å; T54-G111 CarbonylContact C-O 3.6Å; T54-G111 WeakPolarHBondContact CA-O 3.33Å; T54-K112 HydrophobicContact CG2-CB 4.26Å
55A94.6Very high92.7Very high8 Ų847.3 Ų47.37%0.06625%0.253CS..Hα-helixtrans-63.2-30.617400000111.6F59 A70 E71 L74 G111A55-F59 WeakPolarHBondContact O-CB 3.33Å; A55-F59 PolarHBondContact O-N 3.29Å; A55-A70 HydrophobicContact CB-CB 4.26Å; A55-E71 HydrophobicContact CB-CB 4.31Å; A55-E71 HydrophobicContact CB-CG 3.46Å; A55-E71 VanDerWaalsContact CB-CG 3.46Å; A55-L74 HydrophobicContact CB-CD2 4.16Å; A55-G111 WeakPolarHBondContact CB-O 3.4Å; A55-G111 PolarHBondContact N-O 3.18Å
56E94.6Very high93.4Very high115 Ų11546.4 Ų46.454%0.53725%0.252SS..Hα-helixtrans-65-50173.1-179.8162.7-133.600111.4T54 Y58 F59 D60 R67T54-E56 PolarHBondContact O-N 3.49Å; T54-E56 PolarHBondContact OG1-N 3.33Å; E56-Y58 VanDerWaalsContact C-N 3.27Å; E56-Y58 PolarHBondContact O-N 3.08Å; E56-F59 PolarHBondContact O-N 3.15Å; E56-D60 WeakPolarHBondContact O-CB 3.46Å; E56-D60 VanDerWaalsContact O-CG 3.31Å; E56-D60 PolarHBondContact O-N 2.76Å; E56-R67 IonicContact OE1-NH1 2.69Å
57E95Very high93.9Very high65 Ų6547.5 Ų47.530%0.30425%0.252SS..Hα-helixtrans-62.3-37.2177.2-67.4167.8144.100112.1R35 T54 S61R35-E57 IonicContact CZ-OE1 3.24Å; R35-E57 IonicContact CZ-OE2 2.75Å; R35-E57 IonicContact NH1-OE2 2.72Å; R35-E57 IonicContact NH2-OE1 2.75Å; R35-E57 PolarHBondContact NH2-OE1 2.98Å; R35-E57 IonicContact NH2-OE2 3.74Å; R35-E57 PolarHBondContact NH2-OE2 3.21Å; T54-E57 PolarHBondContact N-OE2 2.82Å; T54-E57 PolarHBondContact O-N 3.45Å; T54-E57 VanDerWaalsContact OG1-CG 3.23Å; T54-E57 WeakPolarHBondContact OG1-CG 3.25Å; T54-E57 PolarHBondContact OG1-N 2.99Å; T54-E57 VanDerWaalsContact OG1-N 3.1Å; T54-E57 PolarHBondContact OG1-OE2 3.38Å; E57-S61 WeakPolarHBondContact O-CB 3.47Å; E57-S61 PolarHBondContact O-N 3.23Å; E57-S61 VanDerWaalsContact O-N 3.16Å; E57-S61 PolarHBondContact O-OG 2.82Å
58Y95.6Very high94.4Very high0 Ų050.9 Ų50.90%026%0.261CS..Hα-helixtrans-64.5-45.7175.6-171.2-126.1000111.5Q24 R27 F28 L31 T54 E56 S61 F62 M65 Q73 L74Q24-Y58 WeakPolarHBondContact CA-OH 3.27Å; Q24-Y58 PolarHBondContact O-OH 2.85Å; Q24-Y58 PolarHBondContact OE1-OH 3.41Å; R27-Y58 HydrophobicContact CB-CE2 3.98Å; R27-Y58 WeakPolarHBondContact CB-OH 3.32Å; F28-Y58 HydrophobicContact CB-CE2 4.04Å; L31-Y58 HydrophobicContact CD2-CD2 3.99Å; T54-Y58 WeakPolarHBondContact O-CB 3.37Å; T54-Y58 PolarHBondContact O-N 2.96Å; E56-Y58 VanDerWaalsContact C-N 3.27Å; E56-Y58 PolarHBondContact O-N 3.08Å; Y58-S61 PolarHBondContact O-N 3.25Å; Y58-F62 AromaticContact CD2-CD2 3.9Å; Y58-F62 HydrophobicContact CD2-CD2 3.9Å; Y58-F62 HydrophobicContact CD2-CE2 4.27Å; Y58-F62 AromaticContact CE2-CD2 3.69Å; Y58-F62 HydrophobicContact CE2-CD2 3.69Å; Y58-F62 AromaticContact CE2-CE2 3.99Å; Y58-F62 HydrophobicContact CE2-CE2 3.99Å; Y58-F62 WeakPolarHBondContact O-CD2 3.4Å; Y58-F62 PolarHBondContact O-N 2.84Å; Y58-F62 VanDerWaalsContact O-N 3.14Å; Y58-M65 HydrophobicContact CD1-CE 3.71Å; Y58-M65 HydrophobicContact CD1-SD 3.7Å; Y58-M65 HydrophobicContact CE1-CE 3.2Å; Y58-M65 HydrophobicContact CE1-SD 3.67Å; Y58-M65 HydrophobicContact CE2-CE 4.28Å; Y58-M65 HydrophobicContact CG-CE 4.42Å; Y58-Q73 HydrophobicContact CE1-CB 4.21Å; Y58-L74 HydrophobicContact CD1-CB 4.02Å; Y58-L74 HydrophobicContact CE1-CB 4.45Å; Y58-L74 HydrophobicContact CG-CD1 4.5Å
59F96.2Very high94.6Very high30 Ų3053.8 Ų53.813%0.13228%0.277CS..Hα-helixtrans-62.2-46.3174.8170.3-100.7000112.2A55 E56 S61 F62 P63 M65 R67 A70A55-F59 WeakPolarHBondContact O-CB 3.33Å; A55-F59 PolarHBondContact O-N 3.29Å; E56-F59 PolarHBondContact O-N 3.15Å; F59-S61 PolarHBondContact O-N 3.02Å; F59-F62 CarbonylContact O-C 3.47Å; F59-F62 PolarHBondContact O-N 2.87Å; F59-P63 HydrophobicContact CE2-CB 4.06Å; F59-P63 WeakPolarHBondContact CE2-O 3.41Å; F59-P63 HydrophobicContact CZ-CB 4.05Å; F59-P63 VanDerWaalsContact O-CA 3.26Å; F59-P63 WeakPolarHBondContact O-CA 3.41Å; F59-M65 HydrophobicContact CD2-CG 4.29Å; F59-R67 HydrophobicContact CD1-CB 4.41Å; F59-R67 HydrophobicContact CD1-CG 4.41Å; F59-R67 VanDerWaalsContact CD2-CA 3.43Å; F59-R67 HydrophobicContact CD2-CB 3.95Å; F59-R67 HydrophobicContact CE1-CB 4.24Å; F59-R67 HydrophobicContact CE2-CB 3.72Å; F59-R67 HydrophobicContact CG-CB 4.28Å; F59-R67 HydrophobicContact CG-CG 4.46Å; F59-R67 HydrophobicContact CZ-CB 3.87Å; F59-A70 HydrophobicContact CB-CB 3.83Å
60D95.8Very high94.6Very high98 Ų9852.7 Ų52.752%0.52427%0.273SS..Hα-helixtrans-62.1-29.8-178.5-73-13.4000112E56 R67E56-D60 WeakPolarHBondContact O-CB 3.46Å; E56-D60 VanDerWaalsContact O-CG 3.31Å; E56-D60 PolarHBondContact O-N 2.76Å; D60-R67 IonicContact OD1-NH2 3.66Å
61S96.1Very high94.6Very high16 Ų1654.5 Ų54.511%0.11228%0.277CS..Hα-helixtrans-78.5-28175-57.80000113.4L31 E57 Y58 F59 S141L31-S61 WeakPolarHBondContact CD1-OG 3.3Å; E57-S61 WeakPolarHBondContact O-CB 3.47Å; E57-S61 PolarHBondContact O-N 3.23Å; E57-S61 VanDerWaalsContact O-N 3.16Å; E57-S61 PolarHBondContact O-OG 2.82Å; Y58-S61 PolarHBondContact O-N 3.25Å; F59-S61 PolarHBondContact O-N 3.02Å; S61-S141 WeakPolarHBondContact O-CB 3.23Å
62F96.2Very high94.5Very high0 Ų057.2 Ų57.20%030%0.295CS..  trans-140.664.7-172.7-58.4-72000111.9R27 L31 Y58 F59 D64 M65 I137 I140R27-F62 HydrophobicContact CB-CD1 4.15Å; R27-F62 HydrophobicContact CB-CD2 3.88Å; R27-F62 HydrophobicContact CB-CE1 3.89Å; R27-F62 HydrophobicContact CB-CE2 3.59Å; R27-F62 HydrophobicContact CB-CG 4.16Å; R27-F62 HydrophobicContact CB-CZ 3.58Å; R27-F62 HydrophobicContact CG-CD1 3.69Å; R27-F62 HydrophobicContact CG-CD2 4.32Å; R27-F62 HydrophobicContact CG-CE1 3.54Å; R27-F62 HydrophobicContact CG-CE2 4.18Å; R27-F62 HydrophobicContact CG-CG 4.09Å; R27-F62 HydrophobicContact CG-CZ 3.79Å; R27-F62 WeakPolarHBondContact O-CE2 3.43Å; R27-F62 WeakPolarHBondContact O-CZ 3.3Å; L31-F62 HydrophobicContact CB-CE2 4.31Å; Y58-F62 AromaticContact CD2-CD2 3.9Å; Y58-F62 HydrophobicContact CD2-CD2 3.9Å; Y58-F62 HydrophobicContact CD2-CE2 4.27Å; Y58-F62 AromaticContact CE2-CD2 3.69Å; Y58-F62 HydrophobicContact CE2-CD2 3.69Å; Y58-F62 AromaticContact CE2-CE2 3.99Å; Y58-F62 HydrophobicContact CE2-CE2 3.99Å; Y58-F62 WeakPolarHBondContact O-CD2 3.4Å; Y58-F62 PolarHBondContact O-N 2.84Å; Y58-F62 VanDerWaalsContact O-N 3.14Å; F59-F62 CarbonylContact O-C 3.47Å; F59-F62 PolarHBondContact O-N 2.87Å; F62-D64 PolarHBondContact O-N 3.11Å; F62-D64 VanDerWaalsContact O-N 3.12Å; F62-M65 HydrophobicContact CB-CE 3.58Å; F62-M65 HydrophobicContact CG-CE 4.46Å; F62-M65 VanDerWaalsContact O-CG 3.24Å; F62-M65 WeakPolarHBondContact O-CG 3.32Å; F62-M65 PolarHBondContact O-N 3.26Å; F62-I137 HydrophobicContact CE1-CG2 3.74Å; F62-I137 HydrophobicContact CE2-CG2 4.3Å; F62-I137 HydrophobicContact CZ-CG2 3.55Å; F62-I140 HydrophobicContact CE1-CD1 3.75Å; F62-I140 HydrophobicContact CZ-CD1 4.28Å
63P95Very high94.5Very high66 Ų6656.7 Ų56.743%0.42929%0.289SS..G310 helixtrans-67.5-19.2-167.924.7-35.3000114.3F59 M65 G66F59-P63 HydrophobicContact CE2-CB 4.06Å; F59-P63 WeakPolarHBondContact CE2-O 3.41Å; F59-P63 HydrophobicContact CZ-CB 4.05Å; F59-P63 VanDerWaalsContact O-CA 3.26Å; F59-P63 WeakPolarHBondContact O-CA 3.41Å; P63-M65 PolarHBondContact O-N 3.44Å; P63-G66 PolarHBondContact O-N 2.66Å; P63-G66 VanDerWaalsContact O-N 3.08Å
64D93.3Very high94.5Very high77 Ų7756.7 Ų56.741%0.41229%0.289SS..G310 helixtrans-64-16.5178.772.2-34.2000113.5R27 F62 G66R27-D64 IonicContact CZ-OD1 2.65Å; R27-D64 IonicContact CZ-OD2 3.21Å; R27-D64 IonicContact NH1-OD1 3.81Å; R27-D64 PolarHBondContact NH1-OD1 2.8Å; R27-D64 IonicContact NH1-OD2 3.92Å; R27-D64 IonicContact NH2-OD1 3.97Å; R27-D64 PolarHBondContact NH2-OD1 2.85Å; R27-D64 IonicContact NH2-OD2 2.95Å; R27-D64 PolarHBondContact NH2-OD2 2.93Å; F62-D64 PolarHBondContact O-N 3.11Å; F62-D64 VanDerWaalsContact O-N 3.12Å; D64-G66 PolarHBondContact O-N 3.49Å
65M93.1Very high94.4Very high12 Ų1257.3 Ų57.36%0.05929%0.289CS..G310 helixtrans-69.9-20172.971.1-177.24800114.2Y58 F59 F62 P63 N69 A70Y58-M65 HydrophobicContact CD1-CE 3.71Å; Y58-M65 HydrophobicContact CD1-SD 3.7Å; Y58-M65 HydrophobicContact CE1-CE 3.2Å; Y58-M65 HydrophobicContact CE1-SD 3.67Å; Y58-M65 HydrophobicContact CE2-CE 4.28Å; Y58-M65 HydrophobicContact CG-CE 4.42Å; F59-M65 HydrophobicContact CD2-CG 4.29Å; F62-M65 HydrophobicContact CB-CE 3.58Å; F62-M65 HydrophobicContact CG-CE 4.46Å; F62-M65 VanDerWaalsContact O-CG 3.24Å; F62-M65 WeakPolarHBondContact O-CG 3.32Å; F62-M65 PolarHBondContact O-N 3.26Å; P63-M65 PolarHBondContact O-N 3.44Å; M65-N69 WeakPolarHBondContact O-CB 3.49Å; M65-N69 PolarHBondContact O-ND2 3.11Å; M65-A70 HydrophobicContact SD-CB 4.1Å
66G93Very high94.2Very high28 Ų2861.2 Ų61.229%0.28931%0.306SS..  trans78.4130.1-172.900000112.8P63 D64 K68 N69P63-G66 PolarHBondContact O-N 2.66Å; P63-G66 VanDerWaalsContact O-N 3.08Å; D64-G66 PolarHBondContact O-N 3.49Å; G66-K68 VanDerWaalsContact C-N 3.26Å; G66-K68 PolarHBondContact O-N 3.26Å; G66-K68 VanDerWaalsContact O-N 3.12Å; G66-N69 PolarHBondContact O-N 3.02Å
67R93.4Very high94.2Very high137 Ų13755.7 Ų55.752%0.51728%0.28SS..G310 helixtrans-52.7-39.5-173.7-175.2173.7-75.7-96.3-0.1113.8E56 F59 D60 N69 A70E56-R67 IonicContact OE1-NH1 2.69Å; F59-R67 HydrophobicContact CD1-CB 4.41Å; F59-R67 HydrophobicContact CD1-CG 4.41Å; F59-R67 VanDerWaalsContact CD2-CA 3.43Å; F59-R67 HydrophobicContact CD2-CB 3.95Å; F59-R67 HydrophobicContact CE1-CB 4.24Å; F59-R67 HydrophobicContact CE2-CB 3.72Å; F59-R67 HydrophobicContact CG-CB 4.28Å; F59-R67 HydrophobicContact CG-CG 4.46Å; F59-R67 HydrophobicContact CZ-CB 3.87Å; D60-R67 IonicContact OD1-NH2 3.66Å; R67-N69 PolarHBondContact O-N 3.43Å; R67-A70 WeakPolarHBondContact O-CB 3.35Å; R67-A70 PolarHBondContact O-N 3.3Å
68K93.2Very high94.1Very high203 Ų20352.7 Ų52.788%0.88327%0.266SS*.G310 helixtrans-65.4-21-179.8-63.8-176179.7-178.70113.7G66G66-K68 VanDerWaalsContact C-N 3.26Å; G66-K68 PolarHBondContact O-N 3.26Å; G66-K68 VanDerWaalsContact O-N 3.12Å
69N94.2Very high93.8Very high81 Ų8156.6 Ų56.643%0.43329%0.287SS..G310 helixtrans-99.3-4.8-178.7-58.2-39.5000112.7M65 G66 R67 E71 V72 Q73M65-N69 WeakPolarHBondContact O-CB 3.49Å; M65-N69 PolarHBondContact O-ND2 3.11Å; G66-N69 PolarHBondContact O-N 3.02Å; R67-N69 PolarHBondContact O-N 3.43Å; N69-E71 PolarHBondContact O-N 2.95Å; N69-V72 PolarHBondContact O-N 3Å; N69-Q73 HydrophobicContact CB-CG 4.34Å; N69-Q73 WeakPolarHBondContact O-CB 3.31Å; N69-Q73 WeakPolarHBondContact O-CG 3.32Å; N69-Q73 PolarHBondContact O-N 3.48Å
70A94Very high93.7Very high4 Ų459.3 Ų59.33%0.03330%0.296CS..Hα-helixtrans-60.9-46.1-169.500000112.5A55 F59 M65 R67 L74A55-A70 HydrophobicContact CB-CB 4.26Å; F59-A70 HydrophobicContact CB-CB 3.83Å; M65-A70 HydrophobicContact SD-CB 4.1Å; R67-A70 WeakPolarHBondContact O-CB 3.35Å; R67-A70 PolarHBondContact O-N 3.3Å; A70-L74 WeakPolarHBondContact O-CB 3.24Å; A70-L74 PolarHBondContact O-N 2.93Å
71E93.6Very high93.7Very high98 Ų9854.6 Ų54.646%0.45827%0.271SS..Hα-helixtrans-62.6-46.2175.9-74.2-174.7-154.200112.3A55 N69 Q73 L74 Q75A55-E71 HydrophobicContact CB-CB 4.31Å; A55-E71 HydrophobicContact CB-CG 3.46Å; A55-E71 VanDerWaalsContact CB-CG 3.46Å; N69-E71 PolarHBondContact O-N 2.95Å; E71-Q73 PolarHBondContact O-N 3.49Å; E71-L74 PolarHBondContact O-N 3.32Å; E71-Q75 WeakPolarHBondContact O-CB 3.32Å; E71-Q75 PolarHBondContact O-N 3.03Å
72V93.2Very high93.6Very high77 Ų7756.5 Ų56.547%0.46728%0.276SS..Hα-helixtrans-62.1-46.1-179.8177.50000110.6N69 Q75 E76N69-V72 PolarHBondContact O-N 3Å; V72-Q75 PolarHBondContact O-N 3.24Å; V72-E76 WeakPolarHBondContact O-CG 3.4Å; V72-E76 PolarHBondContact O-N 2.96Å
73Q93.9Very high93.5Very high32 Ų3261 Ų6115%0.1530%0.3CS..Hα-helixtrans-70.3-35.3179.9-69.7-172.721.900112.7Q24 Y58 N69 E71 A77Q24-Q73 HydrophobicContact CG-CB 4.24Å; Q24-Q73 HydrophobicContact CG-CG 4.43Å; Q24-Q73 VanDerWaalsContact OE1-OE1 3.13Å; Y58-Q73 HydrophobicContact CE1-CB 4.21Å; N69-Q73 HydrophobicContact CB-CG 4.34Å; N69-Q73 WeakPolarHBondContact O-CB 3.31Å; N69-Q73 WeakPolarHBondContact O-CG 3.32Å; N69-Q73 PolarHBondContact O-N 3.48Å; E71-Q73 PolarHBondContact O-N 3.49Å; Q73-A77 VanDerWaalsContact O-CB 3.31Å; Q73-A77 WeakPolarHBondContact O-CB 3.15Å; Q73-A77 PolarHBondContact O-N 3.05Å
74L94.7Very high93.6Very high0 Ų061 Ų610%029%0.292CS..Hα-helixtrans-60.7-49.1171.2177.459.6000110F28 A55 Y58 A70 E71 E76 A77 I78 Y106 A113F28-L74 HydrophobicContact CD2-CD1 3.37Å; F28-L74 HydrophobicContact CE2-CD1 3.38Å; F28-L74 HydrophobicContact CG-CD1 4.39Å; F28-L74 HydrophobicContact CZ-CD1 4.41Å; A55-L74 HydrophobicContact CB-CD2 4.16Å; Y58-L74 HydrophobicContact CD1-CB 4.02Å; Y58-L74 HydrophobicContact CE1-CB 4.45Å; Y58-L74 HydrophobicContact CG-CD1 4.5Å; A70-L74 WeakPolarHBondContact O-CB 3.24Å; A70-L74 PolarHBondContact O-N 2.93Å; E71-L74 PolarHBondContact O-N 3.32Å; L74-E76 PolarHBondContact O-N 2.81Å; L74-A77 WeakPolarHBondContact O-CB 3.25Å; L74-A77 PolarHBondContact O-N 2.99Å; L74-I78 HydrophobicContact CD1-CG2 4.15Å; L74-I78 WeakPolarHBondContact O-CG1 3.3Å; L74-I78 WeakPolarHBondContact O-CG2 3.48Å; L74-I78 PolarHBondContact O-N 3.22Å; L74-Y106 HydrophobicContact CD2-CE2 4.41Å; L74-A113 HydrophobicContact CD1-CB 4Å; L74-A113 HydrophobicContact CD2-CB 4.06Å; L74-A113 HydrophobicContact CG-CB 4.05Å
75Q92.8Very high93.8Very high56 Ų5658.9 Ų58.926%0.26228%0.282SS..Hα-helixtrans-59.8-46.3177.7-167.9-175.4-10.300111.9E71 V72 A77 I78 D79 Y106E71-Q75 WeakPolarHBondContact O-CB 3.32Å; E71-Q75 PolarHBondContact O-N 3.03Å; V72-Q75 PolarHBondContact O-N 3.24Å; Q75-A77 VanDerWaalsContact C-N 3.3Å; Q75-A77 PolarHBondContact O-N 3.12Å; Q75-I78 WeakPolarHBondContact O-CG1 3.48Å; Q75-I78 PolarHBondContact O-N 3.24Å; Q75-D79 WeakPolarHBondContact O-CB 3.45Å; Q75-D79 VanDerWaalsContact O-CG 3.24Å; Q75-D79 PolarHBondContact O-N 3.18Å; Q75-Y106 HydrophobicContact CG-CD1 4.43Å
76E91.3Very high94.1Very high90 Ų9058.3 Ų58.342%0.42128%0.279SS..Hα-helixtrans-63.5-33.4176.4-75.3-175.5-174.500113.6V72 L74 R80V72-E76 WeakPolarHBondContact O-CG 3.4Å; V72-E76 PolarHBondContact O-N 2.96Å; L74-E76 PolarHBondContact O-N 2.81Å; E76-R80 PolarHBondContact O-NE 3.42Å; E76-R80 PolarHBondContact O-NH2 3.43Å; E76-R80 IonicContact OE2-NH2 3.53Å
77A94Very high94.3Very high0 Ų057.7 Ų57.70%027%0.27CS..Hα-helixtrans-67-48.8177.200000110.2Q24 F28 Q73 L74 Q75 L81Q24-A77 HydrophobicContact CB-CB 4.01Å; F28-A77 HydrophobicContact CB-CB 4.01Å; F28-A77 HydrophobicContact CG-CB 4.41Å; Q73-A77 VanDerWaalsContact O-CB 3.31Å; Q73-A77 WeakPolarHBondContact O-CB 3.15Å; Q73-A77 PolarHBondContact O-N 3.05Å; L74-A77 WeakPolarHBondContact O-CB 3.25Å; L74-A77 PolarHBondContact O-N 2.99Å; Q75-A77 VanDerWaalsContact C-N 3.3Å; Q75-A77 PolarHBondContact O-N 3.12Å; A77-L81 WeakPolarHBondContact O-CB 3.48Å; A77-L81 PolarHBondContact O-N 2.88Å; A77-L81 VanDerWaalsContact O-N 3.13Å
78I93Very high94.4Very high2 Ų252.3 Ų52.31%0.0125%0.251CS..Hα-helixtrans-73.9-34.1-174.768.6-178.7000113.2F28 L74 Q75 R80 L81 A104 Y106 A113F28-I78 HydrophobicContact CD1-CG2 4.12Å; F28-I78 HydrophobicContact CD2-CG2 4.44Å; F28-I78 HydrophobicContact CE1-CG2 3.72Å; F28-I78 HydrophobicContact CE2-CG2 4.06Å; F28-I78 HydrophobicContact CG-CG2 4.46Å; F28-I78 HydrophobicContact CZ-CG2 3.68Å; L74-I78 HydrophobicContact CD1-CG2 4.15Å; L74-I78 WeakPolarHBondContact O-CG1 3.3Å; L74-I78 WeakPolarHBondContact O-CG2 3.48Å; L74-I78 PolarHBondContact O-N 3.22Å; Q75-I78 WeakPolarHBondContact O-CG1 3.48Å; Q75-I78 PolarHBondContact O-N 3.24Å; I78-R80 VanDerWaalsContact C-N 3.27Å; I78-R80 PolarHBondContact O-N 2.84Å; I78-L81 PolarHBondContact O-N 3.31Å; I78-A104 HydrophobicContact CB-CB 3.61Å; I78-A104 HydrophobicContact CD1-CB 4.37Å; I78-A104 HydrophobicContact CG1-CB 4.28Å; I78-A104 HydrophobicContact CG2-CB 4.22Å; I78-Y106 HydrophobicContact CD1-CD2 3.65Å; I78-Y106 HydrophobicContact CD1-CG 4.04Å; I78-A113 HydrophobicContact CD1-CB 3.63Å; I78-A113 HydrophobicContact CG2-CB 3.91Å
79D90.6Very high94.3Very high82 Ų8248.3 Ų48.344%0.43923%0.234SC..Hα-helixtrans-62.7-36.2178.9-78.8-16.1000111.6Q75Q75-D79 WeakPolarHBondContact O-CB 3.45Å; Q75-D79 VanDerWaalsContact O-CG 3.24Å; Q75-D79 PolarHBondContact O-N 3.18Å
80R93.8Very high93.9Very high86 Ų8649.6 Ų49.633%0.32524%0.24SC..Hα-helixtrans-87-27.7-179.5-69-177.6-72.4-160.5-3.8113.6E25 E76 I78 W82 D83 R84E25-R80 HydrophobicContact CG-CB 4.34Å; E25-R80 WeakPolarHBondContact OE1-CB 3.42Å; E25-R80 VanDerWaalsContact OE1-CD 3.29Å; E25-R80 WeakPolarHBondContact OE1-CD 3.39Å; E25-R80 IonicContact OE1-CZ 2.78Å; E25-R80 IonicContact OE1-NE 3.51Å; E25-R80 PolarHBondContact OE1-NE 2.88Å; E25-R80 VanDerWaalsContact OE1-NE 3.12Å; E76-R80 PolarHBondContact O-NE 3.42Å; E76-R80 PolarHBondContact O-NH2 3.43Å; E76-R80 IonicContact OE2-NH2 3.53Å; I78-R80 VanDerWaalsContact C-N 3.27Å; I78-R80 PolarHBondContact O-N 2.84Å; R80-W82 PolarHBondContact O-N 2.56Å; R80-D83 PolarHBondContact O-N 3.07Å; R80-R84 WeakPolarHBondContact O-CG 3.41Å
81L95.2Very high93.4Very high0 Ų057.9 Ų57.90%028%0.284CS..Hα-helixtrans-61.4-29.2-171.6-177.259.9000113.2L21 F28 L29 A77 I78 D83 R84 W99 I100L21-L81 HydrophobicContact CD2-CD1 4.22Å; F28-L81 HydrophobicContact CD1-CD2 3.93Å; F28-L81 HydrophobicContact CE1-CD2 3.96Å; L29-L81 HydrophobicContact CD1-CD1 3.73Å; L29-L81 HydrophobicContact CD2-CD1 3.95Å; L29-L81 HydrophobicContact CD2-CD2 3.67Å; L29-L81 HydrophobicContact CD2-CG 4.42Å; L29-L81 HydrophobicContact CG-CD1 3.82Å; L29-L81 HydrophobicContact CG-CD2 4.1Å; A77-L81 WeakPolarHBondContact O-CB 3.48Å; A77-L81 PolarHBondContact O-N 2.88Å; A77-L81 VanDerWaalsContact O-N 3.13Å; I78-L81 PolarHBondContact O-N 3.31Å; L81-D83 VanDerWaalsContact C-N 3.28Å; L81-D83 PolarHBondContact O-N 2.93Å; L81-R84 HydrophobicContact CD1-CB 4.42Å; L81-R84 HydrophobicContact CD1-CG 4.39Å; L81-R84 WeakPolarHBondContact O-CB 3.41Å; L81-R84 PolarHBondContact O-N 3.23Å; L81-W99 HydrophobicContact CD1-CB 4.04Å; L81-W99 HydrophobicContact CD1-CG 4.26Å; L81-I100 HydrophobicContact CB-CD1 4.14Å; L81-I100 HydrophobicContact CD2-CD1 4.18Å; L81-I100 HydrophobicContact CD2-CG2 3.77Å; L81-I100 HydrophobicContact CG-CD1 3.93Å; L81-I100 HydrophobicContact CG-CG1 4.28Å; L81-I100 HydrophobicContact CG-CG2 4.09Å
82W93.6Very high93.1Very high56 Ų5661.4 Ų61.421%0.21230%0.301CS..THydrogen-bonded Turntrans-57.4-39.6176.7172.6-111.1000113.5R80 R84 R98 I100 Q101 R103R80-W82 PolarHBondContact O-N 2.56Å; W82-R84 PolarHBondContact O-N 3Å; W82-R98 VanDerWaalsContact CD2-NH1 3.3Å; W82-R98 VanDerWaalsContact CZ2-NH1 3.3Å; W82-R98 PolarHBondContact O-NH1 3.26Å; W82-I100 HydrophobicContact CB-CD1 4.26Å; W82-I100 HydrophobicContact CE3-CD1 4.5Å; W82-I100 HydrophobicContact CE3-CG1 4.09Å; W82-I100 WeakPolarHBondContact CZ3-O 3.37Å; W82-Q101 WeakPolarHBondContact CH2-O 3.24Å; W82-Q101 VanDerWaalsContact CZ3-C 3.4Å; W82-Q101 WeakPolarHBondContact CZ3-O 3.39Å; W82-R103 HydrophobicContact CB-CG 3.83Å; W82-R103 VanDerWaalsContact CD1-CZ 3.42Å; W82-R103 HydrophobicContact CD2-CG 3.76Å; W82-R103 HydrophobicContact CE3-CG 4.49Å; W82-R103 HydrophobicContact CG-CG 3.44Å; W82-R103 VanDerWaalsContact CG-CG 3.44Å
83D95.4Very high93Very high94 Ų9463.9 Ų63.950%0.50331%0.305SS..THydrogen-bonded Turntrans-86.910.7-175.5-61.6-51.7000112.4R80 L81 R103R80-D83 PolarHBondContact O-N 3.07Å; L81-D83 VanDerWaalsContact C-N 3.28Å; L81-D83 PolarHBondContact O-N 2.93Å; D83-R103 IonicContact OD2-NH2 3.89Å
84R97.3Very high93Very high67 Ų6769.6 Ų69.625%0.25333%0.325SS..  trans-96.8125.2-179.4-56.9-61.4-167.4-142.6-8.6110.9K20 L21 E25 R80 L81 W82 W99K20-R84 WeakPolarHBondContact O-CD 3.36Å; L21-R84 HydrophobicContact CD2-CB 3.68Å; L21-R84 HydrophobicContact CD2-CG 3.47Å; L21-R84 VanDerWaalsContact CD2-CG 3.47Å; E25-R84 IonicContact OE1-CZ 3.65Å; E25-R84 IonicContact OE1-NE 2.78Å; E25-R84 IonicContact OE1-NH2 3.51Å; E25-R84 PolarHBondContact OE1-NH2 3.18Å; E25-R84 IonicContact OE2-CZ 3.79Å; E25-R84 IonicContact OE2-NE 3.57Å; E25-R84 PolarHBondContact OE2-NE 3.46Å; E25-R84 IonicContact OE2-NH2 3.12Å; E25-R84 PolarHBondContact OE2-NH2 3.22Å; R80-R84 WeakPolarHBondContact O-CG 3.41Å; L81-R84 HydrophobicContact CD1-CB 4.42Å; L81-R84 HydrophobicContact CD1-CG 4.39Å; L81-R84 WeakPolarHBondContact O-CB 3.41Å; L81-R84 PolarHBondContact O-N 3.23Å; W82-R84 PolarHBondContact O-N 3Å; R84-W99 PolarHBondContact O-N 3.14Å
85S97.5Very high93Very high31 Ų3174.2 Ų74.222%0.21735%0.347CS..EExtended strand (participates in β ladder)trans-107157.8171.658.40000112.3Y19 E96 F97Y19-S85 VanDerWaalsContact CB-O 3.32Å; Y19-S85 WeakPolarHBondContact CB-O 3.1Å; S85-E96 WeakPolarHBondContact CB-OE1 3.16Å; S85-E96 PolarHBondContact OG-OE1 3.39Å; S85-F97 CarbonylContact C-O 3.55Å; S85-F97 VanDerWaalsContact CA-O 3.25Å; S85-F97 WeakPolarHBondContact CA-O 3.16Å
86I98.4Very high93.2Very high0 Ų076.2 Ų76.20%036%0.356CS..EExtended strand (participates in β ladder)trans-109.1130.4167.4-60.6156000105.7L14 A17 L88 E96 F97 W99 V121L14-I86 HydrophobicContact CD1-CD1 3.68Å; L14-I86 HydrophobicContact CD1-CG1 4.18Å; L14-I86 HydrophobicContact CD1-CG2 3.83Å; A17-I86 HydrophobicContact CB-CG2 3.62Å; I86-L88 HydrophobicContact CG2-CG 4.41Å; I86-E96 WeakPolarHBondContact O-CA 3.38Å; I86-F97 HydrophobicContact CB-CD2 4.27Å; I86-F97 HydrophobicContact CB-CE2 3.92Å; I86-F97 HydrophobicContact CB-CZ 4.1Å; I86-F97 HydrophobicContact CD1-CD2 4Å; I86-F97 HydrophobicContact CD1-CE2 3.48Å; I86-F97 VanDerWaalsContact CD1-CE2 3.48Å; I86-F97 HydrophobicContact CD1-CZ 4.29Å; I86-F97 HydrophobicContact CG1-CE2 4.32Å; I86-F97 HydrophobicContact CG2-CE1 4.45Å; I86-F97 HydrophobicContact CG2-CE2 4.14Å; I86-F97 HydrophobicContact CG2-CZ 3.88Å; I86-F97 PolarHBondContact N-O 3.04Å; I86-F97 PolarHBondContact O-N 2.72Å; I86-W99 HydrophobicContact CD1-CD2 3.57Å; I86-W99 HydrophobicContact CD1-CE3 3.8Å; I86-W99 HydrophobicContact CD1-CG 4.09Å; I86-W99 HydrophobicContact CD1-CH2 3.94Å; I86-W99 HydrophobicContact CD1-CZ2 3.73Å; I86-W99 HydrophobicContact CD1-CZ3 3.98Å; I86-W99 HydrophobicContact CG1-CD2 3.88Å; I86-W99 HydrophobicContact CG1-CG 4.25Å; I86-W99 HydrophobicContact CG1-CH2 4.22Å; I86-W99 HydrophobicContact CG1-CZ2 3.53Å; I86-V121 HydrophobicContact CD1-CB 4.29Å; I86-V121 HydrophobicContact CD1-CG2 3.62Å
87I98Very high93.5Very high16 Ų1673.2 Ų73.28%0.08234%0.342CS..EExtended strand (participates in β ladder)trans-110.8114.5172.6-59.5158.9000107.7S18 R94 E95 E96 M176S18-I87 PolarHBondContact N-O 3.11Å; S18-I87 PolarHBondContact O-N 3.33Å; I87-R94 VanDerWaalsContact CD1-NH2 3.33Å; I87-R94 HydrophobicContact CG2-CG 4Å; I87-E95 CarbonylContact C-O 3.6Å; I87-E95 WeakPolarHBondContact CA-O 3.43Å; I87-E96 HydrophobicContact CG1-CB 4.25Å; I87-E96 HydrophobicContact CG1-CG 3.85Å; I87-M176 HydrophobicContact CD1-CE 4.09Å
88L95.5Very high93.7Very high24 Ų2478 Ų7813%0.12636%0.36CS..EExtended strand (participates in β ladder)trans-95.3133.5165.6-68176.9000108A13 A17 I86 R94 E95 F97 Y124A13-L88 WeakPolarHBondContact O-CD2 3.24Å; A17-L88 HydrophobicContact CB-CD2 3.49Å; A17-L88 VanDerWaalsContact CB-CD2 3.49Å; A17-L88 HydrophobicContact CB-CG 4.42Å; I86-L88 HydrophobicContact CG2-CG 4.41Å; L88-R94 CarbonylContact O-C 3.58Å; L88-R94 WeakPolarHBondContact O-CA 3.47Å; L88-E95 HydrophobicContact CB-CB 4.47Å; L88-E95 PolarHBondContact N-O 3.04Å; L88-E95 PolarHBondContact O-N 3.38Å; L88-F97 HydrophobicContact CD1-CE1 3.68Å; L88-F97 HydrophobicContact CD1-CZ 3.79Å; L88-F97 HydrophobicContact CG-CE1 4.02Å; L88-F97 HydrophobicContact CG-CZ 4.21Å; L88-Y124 HydrophobicContact CD1-CD1 4.47Å; L88-Y124 HydrophobicContact CD1-CE1 3.6Å; L88-Y124 HydrophobicContact CD1-CE2 3.91Å; L88-Y124 WeakPolarHBondContact CD1-OH 3.39Å
89K90.1Very high93.9Very high119 Ų11977.9 Ų77.952%0.51736%0.359SS..EExtended strand (participates in β ladder)trans-142.9138.9177.559.1172.2-179.1169.30110.8K93 S173K89-K93 VanDerWaalsContact CA-O 3.31Å; K89-K93 WeakPolarHBondContact CA-O 3.39Å; K89-S173 WeakPolarHBondContact CE-OG 3.16Å; K89-S173 PolarHBondContact NZ-OG 3.28Å
90D85.4Confident94.2Very high107 Ų10774 Ų7457%0.57234%0.339SS*.  trans-129.5-171.4164.759.941.8000108.7E92 K93D90-E92 PolarHBondContact O-N 2.55Å; D90-E92 WeakPolarHBondContact OD1-CA 3.38Å; D90-E92 PolarHBondContact OD1-N 2.75Å; D90-K93 PolarHBondContact N-O 3.47Å; D90-K93 PolarHBondContact OD1-N 3.13Å
91D83.6Confident94.3Very high178 Ų17872.3 Ų72.395%0.95233%0.334SS*.SBendtrans-66.2-20.8-178.4-67.7-32.2000113.3
92E88.1Confident94.2Very high173 Ų17379 Ų7981%0.80836%0.36SS*.SBendtrans-105.8-31.9-174.3-60.7-171.1168.900112.9D90D90-E92 PolarHBondContact O-N 2.55Å; D90-E92 WeakPolarHBondContact OD1-CA 3.38Å; D90-E92 PolarHBondContact OD1-N 2.75Å
93K90.7Very high94.2Very high129 Ų12983 Ų8356%0.56138%0.376SS*.  trans-139.9146.2-166.8-68.6-179.3-176.4173.10112.6K89 D90K89-K93 VanDerWaalsContact CA-O 3.31Å; K89-K93 WeakPolarHBondContact CA-O 3.39Å; D90-K93 PolarHBondContact N-O 3.47Å; D90-K93 PolarHBondContact OD1-N 3.13Å
94R93.7Very high93.7Very high151 Ų15179.3 Ų79.357%0.5736%0.358SS*.EExtended strand (participates in β ladder)trans-124.6115.2167.6-177.8-175.5179-80.1-1.3108.5I87 L88 E96I87-R94 VanDerWaalsContact CD1-NH2 3.33Å; I87-R94 HydrophobicContact CG2-CG 4Å; L88-R94 CarbonylContact O-C 3.58Å; L88-R94 WeakPolarHBondContact O-CA 3.47Å; R94-E96 IonicContact CZ-OE2 2.77Å; R94-E96 IonicContact NH1-OE2 3.4Å; R94-E96 PolarHBondContact NH1-OE2 2.95Å; R94-E96 IonicContact NH2-OE2 3.81Å; R94-E96 PolarHBondContact NH2-OE2 2.78Å
95E95.5Very high93.1Very high97 Ų9782.4 Ų82.445%0.45338%0.375SS..EExtended strand (participates in β ladder)trans-109.6138.1174.9-64.2-174165.100109.8I87 L88I87-E95 CarbonylContact C-O 3.6Å; I87-E95 WeakPolarHBondContact CA-O 3.43Å; L88-E95 HydrophobicContact CB-CB 4.47Å; L88-E95 PolarHBondContact N-O 3.04Å; L88-E95 PolarHBondContact O-N 3.38Å
96E97.5Very high92.3Very high99 Ų9983.1 Ų83.146%0.46337%0.374SS..EExtended strand (participates in β ladder)trans-134.1124.2177.2-176.2168.5-175.700110.1S85 I86 I87 R94S85-E96 WeakPolarHBondContact CB-OE1 3.16Å; S85-E96 PolarHBondContact OG-OE1 3.39Å; I86-E96 WeakPolarHBondContact O-CA 3.38Å; I87-E96 HydrophobicContact CG1-CB 4.25Å; I87-E96 HydrophobicContact CG1-CG 3.85Å; R94-E96 IonicContact CZ-OE2 2.77Å; R94-E96 IonicContact NH1-OE2 3.4Å; R94-E96 PolarHBondContact NH1-OE2 2.95Å; R94-E96 IonicContact NH2-OE2 3.81Å; R94-E96 PolarHBondContact NH2-OE2 2.78Å
97F97.4Very high91.4Very high27 Ų2784.7 Ų84.712%0.11839%0.387CS..EExtended strand (participates in β ladder)trans-145162.5-179.153.5-88.7000110.9S85 I86 L88 A120 V121 Y124S85-F97 CarbonylContact C-O 3.55Å; S85-F97 VanDerWaalsContact CA-O 3.25Å; S85-F97 WeakPolarHBondContact CA-O 3.16Å; I86-F97 HydrophobicContact CB-CD2 4.27Å; I86-F97 HydrophobicContact CB-CE2 3.92Å; I86-F97 HydrophobicContact CB-CZ 4.1Å; I86-F97 HydrophobicContact CD1-CD2 4Å; I86-F97 HydrophobicContact CD1-CE2 3.48Å; I86-F97 VanDerWaalsContact CD1-CE2 3.48Å; I86-F97 HydrophobicContact CD1-CZ 4.29Å; I86-F97 HydrophobicContact CG1-CE2 4.32Å; I86-F97 HydrophobicContact CG2-CE1 4.45Å; I86-F97 HydrophobicContact CG2-CE2 4.14Å; I86-F97 HydrophobicContact CG2-CZ 3.88Å; I86-F97 PolarHBondContact N-O 3.04Å; I86-F97 PolarHBondContact O-N 2.72Å; L88-F97 HydrophobicContact CD1-CE1 3.68Å; L88-F97 HydrophobicContact CD1-CZ 3.79Å; L88-F97 HydrophobicContact CG-CE1 4.02Å; L88-F97 HydrophobicContact CG-CZ 4.21Å; F97-A120 HydrophobicContact CB-CB 3.7Å; F97-A120 HydrophobicContact CD1-CB 4.42Å; F97-A120 HydrophobicContact CD2-CB 3.76Å; F97-A120 HydrophobicContact CE2-CB 4.5Å; F97-A120 HydrophobicContact CG-CB 3.71Å; F97-V121 HydrophobicContact CD2-CB 4.3Å; F97-V121 HydrophobicContact CE2-CB 3.93Å; F97-V121 HydrophobicContact CE2-CG2 4.13Å; F97-Y124 HydrophobicContact CE1-CE2 4.3Å; F97-Y124 HydrophobicContact CE2-CD2 4.45Å; F97-Y124 HydrophobicContact CE2-CE2 4.45Å; F97-Y124 HydrophobicContact CZ-CD2 4.07Å; F97-Y124 AromaticContact CZ-CE2 3.74Å; F97-Y124 HydrophobicContact CZ-CE2 3.74Å
98R97.5Very high89.9Confident100 Ų10093.8 Ų93.838%0.37742%0.42SS..EExtended strand (participates in β ladder)trans-86.5157.1-177.1-65.6-178.4-178.6-132.84.3111.8W82 S118W82-R98 VanDerWaalsContact CD2-NH1 3.3Å; W82-R98 VanDerWaalsContact CZ2-NH1 3.3Å; W82-R98 PolarHBondContact O-NH1 3.26Å; R98-S118 VanDerWaalsContact O-CB 3.3Å; R98-S118 WeakPolarHBondContact O-CB 3.34Å; R98-S118 PolarHBondContact O-OG 2.94Å
99W97.9Very high88.7Confident0 Ų096.3 Ų96.30%045%0.452CS..SBendtrans-66.5-42.4169.8-75.694.6000112.7L14 Y19 L21 L29 I33 L81 R84 I86 S118 V121L14-W99 HydrophobicContact CD1-CH2 3.79Å; L14-W99 HydrophobicContact CD1-CZ2 4.37Å; L14-W99 HydrophobicContact CD1-CZ3 4.31Å; L14-W99 HydrophobicContact CD2-CH2 4.11Å; L14-W99 HydrophobicContact CD2-CZ3 4.11Å; L14-W99 HydrophobicContact CG-CH2 4.15Å; Y19-W99 AromaticContact CD1-CZ2 3.85Å; Y19-W99 HydrophobicContact CD1-CZ2 3.85Å; Y19-W99 AromaticContact CD2-CZ2 3.89Å; Y19-W99 HydrophobicContact CD2-CZ2 3.89Å; Y19-W99 HydrophobicContact CE1-CH2 4.16Å; Y19-W99 AromaticContact CE1-CZ2 3.72Å; Y19-W99 HydrophobicContact CE1-CZ2 3.72Å; Y19-W99 HydrophobicContact CE2-CH2 4.5Å; Y19-W99 AromaticContact CE2-CZ2 3.78Å; Y19-W99 HydrophobicContact CE2-CZ2 3.78Å; Y19-W99 AromaticContact CG-CZ2 3.9Å; Y19-W99 HydrophobicContact CG-CZ2 3.9Å; Y19-W99 AromaticContact CZ-CZ2 3.66Å; L21-W99 HydrophobicContact CD1-CZ2 4.26Å; L29-W99 HydrophobicContact CD1-CD2 3.59Å; L29-W99 HydrophobicContact CD1-CE3 3.7Å; L29-W99 HydrophobicContact CD1-CG 4.02Å; L29-W99 HydrophobicContact CD1-CZ2 4.4Å; L29-W99 HydrophobicContact CD1-CZ3 4.17Å; L29-W99 HydrophobicContact CD2-CE3 4.23Å; I33-W99 HydrophobicContact CD1-CZ3 4.49Å; L81-W99 HydrophobicContact CD1-CB 4.04Å; L81-W99 HydrophobicContact CD1-CG 4.26Å; R84-W99 PolarHBondContact O-N 3.14Å; I86-W99 HydrophobicContact CD1-CD2 3.57Å; I86-W99 HydrophobicContact CD1-CE3 3.8Å; I86-W99 HydrophobicContact CD1-CG 4.09Å; I86-W99 HydrophobicContact CD1-CH2 3.94Å; I86-W99 HydrophobicContact CD1-CZ2 3.73Å; I86-W99 HydrophobicContact CD1-CZ3 3.98Å; I86-W99 HydrophobicContact CG1-CD2 3.88Å; I86-W99 HydrophobicContact CG1-CG 4.25Å; I86-W99 HydrophobicContact CG1-CH2 4.22Å; I86-W99 HydrophobicContact CG1-CZ2 3.53Å; W99-S118 PolarHBondContact O-N 3.44Å; W99-V121 HydrophobicContact CE3-CG2 4.19Å; W99-V121 HydrophobicContact CZ3-CG2 4.17Å; W99-V121 WeakPolarHBondContact O-CG1 3.39Å
100I96.8Very high88.2Confident1 Ų196.4 Ų96.41%0.00545%0.454CS..BIsolated β-bridgetrans-123.7148.3-173.762.5173.6000111.4L81 W82 Y102 I115 T116L81-I100 HydrophobicContact CB-CD1 4.14Å; L81-I100 HydrophobicContact CD2-CD1 4.18Å; L81-I100 HydrophobicContact CD2-CG2 3.77Å; L81-I100 HydrophobicContact CG-CD1 3.93Å; L81-I100 HydrophobicContact CG-CG1 4.28Å; L81-I100 HydrophobicContact CG-CG2 4.09Å; W82-I100 HydrophobicContact CB-CD1 4.26Å; W82-I100 HydrophobicContact CE3-CD1 4.5Å; W82-I100 HydrophobicContact CE3-CG1 4.09Å; W82-I100 WeakPolarHBondContact CZ3-O 3.37Å; I100-Y102 WeakPolarHBondContact CD1-O 3.45Å; I100-Y102 WeakPolarHBondContact CG1-O 3.44Å; I100-I115 HydrophobicContact CG2-CB 4.45Å; I100-I115 HydrophobicContact CG2-CD1 4.5Å; I100-T116 CarbonylContact C-O 3.54Å; I100-T116 VanDerWaalsContact CA-O 3.24Å; I100-T116 WeakPolarHBondContact CA-O 3.38Å; I100-T116 WeakPolarHBondContact CB-O 3.23Å
101Q95.5Very high88.3Confident49 Ų4991.5 Ų91.523%0.22943%0.429CS..SBendtrans-80.4-31.1-174.9-169.9165.822.500113.6W82 T116 D119W82-Q101 WeakPolarHBondContact CH2-O 3.24Å; W82-Q101 VanDerWaalsContact CZ3-C 3.4Å; W82-Q101 WeakPolarHBondContact CZ3-O 3.39Å; Q101-T116 HydrophobicContact CB-CG2 4.02Å; Q101-T116 PolarHBondContact N-O 2.98Å; Q101-D119 PolarHBondContact NE2-OD2 2.97Å; Q101-D119 VanDerWaalsContact NE2-OD2 3.11Å
102Y93.5Very high88.8Confident140 Ų14086.5 Ų86.555%0.54940%0.399SS..SBendtrans-132.9159.3178.5-53.8-69.2000109.6I100 A104 T116I100-Y102 WeakPolarHBondContact CD1-O 3.45Å; I100-Y102 WeakPolarHBondContact CG1-O 3.44Å; Y102-A104 PolarHBondContact O-N 3.1Å; Y102-T116 HydrophobicContact CD2-CG2 4.38Å; Y102-T116 HydrophobicContact CE2-CG2 4.42Å
103R91.8Very high89.1Confident141 Ų14178.2 Ų78.253%0.53236%0.36SS..PPolyproline II helixtrans-54.8131.1162.4-77.5-173.7-179.1-84.2-4.7108.1W82 D83W82-R103 HydrophobicContact CB-CG 3.83Å; W82-R103 VanDerWaalsContact CD1-CZ 3.42Å; W82-R103 HydrophobicContact CD2-CG 3.76Å; W82-R103 HydrophobicContact CE3-CG 4.49Å; W82-R103 HydrophobicContact CG-CG 3.44Å; W82-R103 VanDerWaalsContact CG-CG 3.44Å; D83-R103 IonicContact OD2-NH2 3.89Å
104A86.4Confident89.2Confident17 Ų1775.6 Ų75.614%0.1435%0.35CS..PPolyproline II helixtrans-58.8140.8178.400000110.6I78 Y102 Q114 I115I78-A104 HydrophobicContact CB-CB 3.61Å; I78-A104 HydrophobicContact CD1-CB 4.37Å; I78-A104 HydrophobicContact CG1-CB 4.28Å; I78-A104 HydrophobicContact CG2-CB 4.22Å; Y102-A104 PolarHBondContact O-N 3.1Å; A104-Q114 CarbonylContact C-O 3.11Å; A104-Q114 VanDerWaalsContact CA-O 3.31Å; A104-Q114 WeakPolarHBondContact CA-O 3.49Å; A104-I115 HydrophobicContact CB-CG2 3.78Å
105Q84.1Confident89.3Confident131 Ų13168.5 Ų68.561%0.61232%0.323SS*.EExtended strand (participates in β ladder)trans-91128177.6-61.4-178.16.500109A113 Q114Q105-A113 CarbonylContact O-C 3.59Å; Q105-A113 WeakPolarHBondContact O-CA 3.31Å; Q105-Q114 HydrophobicContact CB-CB 4.45Å; Q105-Q114 PolarHBondContact N-O 2.85Å; Q105-Q114 PolarHBondContact O-N 3.39Å
106Y80.9Confident89.3Confident46 Ų4664.6 Ų64.618%0.1831%0.306CS..EExtended strand (participates in β ladder)trans-114.2113.3174.9-169.3-107.5000110L74 Q75 I78 R108 K112 A113L74-Y106 HydrophobicContact CD2-CE2 4.41Å; Q75-Y106 HydrophobicContact CG-CD1 4.43Å; I78-Y106 HydrophobicContact CD1-CD2 3.65Å; I78-Y106 HydrophobicContact CD1-CG 4.04Å; Y106-R108 HydrophobicContact CD1-CG 3.73Å; Y106-R108 HydrophobicContact CE1-CG 3.94Å; Y106-R108 PolarHBondContact O-N 2.84Å; Y106-R108 VanDerWaalsContact O-N 3.16Å; Y106-K112 WeakPolarHBondContact CD2-O 3.49Å; Y106-A113 HydrophobicContact CD2-CB 4.27Å
107A79.2Confident89.3Confident34 Ų3459.9 Ų59.928%0.28128%0.284SS..EExtended strand (participates in β ladder)trans-80.594.4172.200000108.6G109 E110 K112A107-G109 PolarHBondContact O-N 3.3Å; A107-E110 HydrophobicContact CB-CB 4.16Å; A107-E110 HydrophobicContact CB-CG 4.32Å; A107-E110 PolarHBondContact O-N 2.75Å; A107-E110 VanDerWaalsContact O-N 3.12Å; A107-K112 HydrophobicContact CB-CG 4.19Å; A107-K112 PolarHBondContact N-O 3.05Å
108R66.4Low89.3Confident207 Ų20759.1 Ų59.178%0.78128%0.282SS*.THydrogen-bonded Turntrans-56.3124.2176.3-75.5-173.8175.4177.90.5109.7Y106Y106-R108 HydrophobicContact CD1-CG 3.73Å; Y106-R108 HydrophobicContact CE1-CG 3.94Å; Y106-R108 PolarHBondContact O-N 2.84Å; Y106-R108 VanDerWaalsContact O-N 3.16Å
109G70.5Confident89.2Confident76 Ų7657.9 Ų57.978%0.78428%0.283SS*.THydrogen-bonded Turntrans102.6-22.6-178.700000114.7A107A107-G109 PolarHBondContact O-N 3.3Å
110E79.3Confident89.1Confident121 Ų12160.1 Ų60.157%0.56530%0.301SS*.THydrogen-bonded Turntrans-96.1-8.6175.4-63-170.3-138.300113A107 K112A107-E110 HydrophobicContact CB-CB 4.16Å; A107-E110 HydrophobicContact CB-CG 4.32Å; A107-E110 PolarHBondContact O-N 2.75Å; A107-E110 VanDerWaalsContact O-N 3.12Å; E110-K112 HydrophobicContact CB-CD 4.01Å; E110-K112 HydrophobicContact CB-CG 3.99Å; E110-K112 PolarHBondContact O-N 3.35Å; E110-K112 IonicContact OE1-NZ 3.6Å; E110-K112 VanDerWaalsContact OE2-CD 3.29Å; E110-K112 WeakPolarHBondContact OE2-CD 3.38Å; E110-K112 WeakPolarHBondContact OE2-CE 3.49Å; E110-K112 IonicContact OE2-NZ 3.34Å; E110-K112 PolarHBondContact OE2-NZ 3.16Å
111G87.7Confident89.1Confident4 Ų460 Ų604%0.04130%0.301CS..THydrogen-bonded Turntrans59.433.9-179.400000112.5T54 A55T54-G111 CarbonylContact C-O 3.6Å; T54-G111 WeakPolarHBondContact CA-O 3.33Å; A55-G111 WeakPolarHBondContact CB-O 3.4Å; A55-G111 PolarHBondContact N-O 3.18Å
112K93.7Very high89Confident73 Ų7358.1 Ų58.132%0.31729%0.292SS..EExtended strand (participates in β ladder)trans-130142.3-176.577.4-172.1-168.1-172.10112.5T52 I53 T54 Y106 A107 E110T52-K112 HydrophobicContact CG2-CB 3.89Å; T52-K112 HydrophobicContact CG2-CD 4.03Å; T52-K112 HydrophobicContact CG2-CG 4.07Å; I53-K112 WeakPolarHBondContact O-CA 3.26Å; T54-K112 HydrophobicContact CG2-CB 4.26Å; Y106-K112 WeakPolarHBondContact CD2-O 3.49Å; A107-K112 HydrophobicContact CB-CG 4.19Å; A107-K112 PolarHBondContact N-O 3.05Å; E110-K112 HydrophobicContact CB-CD 4.01Å; E110-K112 HydrophobicContact CB-CG 3.99Å; E110-K112 PolarHBondContact O-N 3.35Å; E110-K112 IonicContact OE1-NZ 3.6Å; E110-K112 VanDerWaalsContact OE2-CD 3.29Å; E110-K112 WeakPolarHBondContact OE2-CD 3.38Å; E110-K112 WeakPolarHBondContact OE2-CE 3.49Å; E110-K112 IonicContact OE2-NZ 3.34Å; E110-K112 PolarHBondContact OE2-NZ 3.16Å
113A93.9Very high88.9Confident0 Ų053.9 Ų53.90%028%0.282CS..EExtended strand (participates in β ladder)trans-119.2131.3177.800000110.4T52 I53 L74 I78 Q105 Y106T52-A113 CarbonylContact C-O 3.6Å; T52-A113 VanDerWaalsContact CA-O 3.27Å; T52-A113 WeakPolarHBondContact CA-O 3.41Å; I53-A113 PolarHBondContact N-O 2.83Å; I53-A113 PolarHBondContact O-N 3.36Å; L74-A113 HydrophobicContact CD1-CB 4Å; L74-A113 HydrophobicContact CD2-CB 4.06Å; L74-A113 HydrophobicContact CG-CB 4.05Å; I78-A113 HydrophobicContact CD1-CB 3.63Å; I78-A113 HydrophobicContact CG2-CB 3.91Å; Q105-A113 CarbonylContact O-C 3.59Å; Q105-A113 WeakPolarHBondContact O-CA 3.31Å; Y106-A113 HydrophobicContact CD2-CB 4.27Å
114Q94.4Very high89Confident73 Ų7349.8 Ų49.834%0.34127%0.267SS..EExtended strand (participates in β ladder)trans-104.9131.1171.5-172.4177.677.800110.2T50 M51 A104 Q105T50-Q114 HydrophobicContact CG2-CG 3.93Å; M51-Q114 CarbonylContact O-C 3.51Å; M51-Q114 VanDerWaalsContact O-CA 3.28Å; M51-Q114 WeakPolarHBondContact O-CA 3.24Å; M51-Q114 WeakPolarHBondContact O-CG 3.29Å; A104-Q114 CarbonylContact C-O 3.11Å; A104-Q114 VanDerWaalsContact CA-O 3.31Å; A104-Q114 WeakPolarHBondContact CA-O 3.49Å; Q105-Q114 HydrophobicContact CB-CB 4.45Å; Q105-Q114 PolarHBondContact N-O 2.85Å; Q105-Q114 PolarHBondContact O-N 3.39Å
115I95.5Very high89.3Confident2 Ų249.2 Ų49.21%0.0126%0.261CS..EExtended strand (participates in β ladder)trans-120.8159.317265.1161.4000111.6F28 C32 T50 M51 I100 A104 F117F28-I115 HydrophobicContact CE1-CD1 4.04Å; F28-I115 HydrophobicContact CE1-CG1 4.5Å; F28-I115 HydrophobicContact CE1-CG2 3.58Å; F28-I115 HydrophobicContact CZ-CD1 4.35Å; F28-I115 HydrophobicContact CZ-CG1 4.43Å; F28-I115 HydrophobicContact CZ-CG2 3.63Å; C32-I115 HydrophobicContact CB-CD1 3.71Å; C32-I115 WeakPolarHBondContact SG-CD1 3.13Å; T50-I115 CarbonylContact C-O 3.53Å; T50-I115 VanDerWaalsContact CA-O 3.24Å; T50-I115 WeakPolarHBondContact CA-O 3.23Å; M51-I115 HydrophobicContact CG-CD1 4.38Å; M51-I115 HydrophobicContact CG-CG1 3.81Å; M51-I115 PolarHBondContact N-O 3.37Å; M51-I115 PolarHBondContact O-N 2.9Å; I100-I115 HydrophobicContact CG2-CB 4.45Å; I100-I115 HydrophobicContact CG2-CD1 4.5Å; A104-I115 HydrophobicContact CB-CG2 3.78Å; I115-F117 HydrophobicContact CD1-CE1 4.37Å; I115-F117 HydrophobicContact CD1-CE2 4.13Å; I115-F117 HydrophobicContact CD1-CZ 4.03Å
116T96.1Very high89.6Confident15 Ų1543.7 Ų43.79%0.09224%0.236CC..EExtended strand (participates in β ladder)trans-129116.1166.8-61.60000107.8K49 T50 I100 Q101 Y102K49-T116 HydrophobicContact CD-CG2 4.17Å; K49-T116 HydrophobicContact CG-CG2 4.01Å; K49-T116 CarbonylContact O-C 3.57Å; K49-T116 VanDerWaalsContact O-CA 3.27Å; K49-T116 WeakPolarHBondContact O-CA 3.49Å; T50-T116 WeakPolarHBondContact OG1-CG2 3.36Å; T50-T116 PolarHBondContact OG1-OG1 3.25Å; I100-T116 CarbonylContact C-O 3.54Å; I100-T116 VanDerWaalsContact CA-O 3.24Å; I100-T116 WeakPolarHBondContact CA-O 3.38Å; I100-T116 WeakPolarHBondContact CB-O 3.23Å; Q101-T116 HydrophobicContact CB-CG2 4.02Å; Q101-T116 PolarHBondContact N-O 2.98Å; Y102-T116 HydrophobicContact CD2-CG2 4.38Å; Y102-T116 HydrophobicContact CE2-CG2 4.42Å
117F97.4Very high89.7Confident0 Ų048 Ų480%026%0.258CS..BIsolated β-bridgetrans-59.5146.7171.9-77.8-67.2000110.5L29 C32 I33 L36 K49 M51 I115 V121 M122 L125L29-F117 HydrophobicContact CD2-CE1 3.84Å; L29-F117 HydrophobicContact CD2-CZ 4.4Å; C32-F117 HydrophobicContact CB-CE2 4.03Å; C32-F117 HydrophobicContact CB-CZ 3.73Å; I33-F117 HydrophobicContact CG1-CE1 4.26Å; I33-F117 HydrophobicContact CG1-CZ 3.74Å; L36-F117 HydrophobicContact CD1-CD2 4.3Å; L36-F117 HydrophobicContact CD1-CE2 3.99Å; L36-F117 HydrophobicContact CD2-CD2 4.48Å; L36-F117 HydrophobicContact CD2-CE2 4.44Å; L36-F117 HydrophobicContact CG-CE2 4.4Å; K49-F117 HydrophobicContact CB-CB 4.34Å; K49-F117 PolarHBondContact O-N 3.28Å; M51-F117 HydrophobicContact CE-CD2 3.92Å; M51-F117 HydrophobicContact CE-CE2 3.56Å; M51-F117 HydrophobicContact SD-CE2 4.19Å; I115-F117 HydrophobicContact CD1-CE1 4.37Å; I115-F117 HydrophobicContact CD1-CE2 4.13Å; I115-F117 HydrophobicContact CD1-CZ 4.03Å; F117-V121 HydrophobicContact CB-CG1 3.99Å; F117-V121 HydrophobicContact CD1-CG1 3.9Å; F117-V121 HydrophobicContact CG-CG1 4.33Å; F117-M122 HydrophobicContact CB-CG 4.19Å; F117-M122 HydrophobicContact CB-SD 3.54Å; F117-M122 VanDerWaalsContact CB-SD 3.54Å; F117-M122 HydrophobicContact CD2-SD 4.22Å; F117-M122 HydrophobicContact CG-SD 4.12Å; F117-L125 HydrophobicContact CD1-CD1 3.93Å; F117-L125 HydrophobicContact CD2-CD1 4.49Å; F117-L125 HydrophobicContact CE1-CD1 3.94Å; F117-L125 HydrophobicContact CG-CD1 4.22Å; F117-L125 HydrophobicContact CZ-CD1 4.25Å
118S96.7Very high89.9Confident11 Ų1147.6 Ų47.68%0.07725%0.251CS..  trans-68.9146175.173.70000111.2R98 W99 A120 V121 M122R98-S118 VanDerWaalsContact O-CB 3.3Å; R98-S118 WeakPolarHBondContact O-CB 3.34Å; R98-S118 PolarHBondContact O-OG 2.94Å; W99-S118 PolarHBondContact O-N 3.44Å; S118-A120 PolarHBondContact O-N 2.86Å; S118-A120 VanDerWaalsContact O-N 3.13Å; S118-V121 WeakPolarHBondContact O-CG1 3.47Å; S118-V121 PolarHBondContact O-N 3.43Å; S118-V121 PolarHBondContact OG-N 3.07Å; S118-M122 WeakPolarHBondContact O-CG 3.39Å; S118-M122 PolarHBondContact O-N 3.46Å
119D95.7Very high90.4Very high75 Ų7547.3 Ų47.340%0.40126%0.255SS..THydrogen-bonded Turntrans-57.9-30.9177-55.8-36.3000111.3K49 Q101 P123K49-D119 IonicContact NZ-OD1 3.93Å; K49-D119 PolarHBondContact NZ-OD1 3.1Å; Q101-D119 PolarHBondContact NE2-OD2 2.97Å; Q101-D119 VanDerWaalsContact NE2-OD2 3.11Å; D119-P123 VanDerWaalsContact O-CD 3.28Å; D119-P123 WeakPolarHBondContact O-CD 3.37Å
120A95.7Very high90.7Very high46 Ų4646.6 Ų46.638%0.3825%0.248SC..THydrogen-bonded Turntrans-68.1-34.1177.300000114.1F97 S118 Y124F97-A120 HydrophobicContact CB-CB 3.7Å; F97-A120 HydrophobicContact CD1-CB 4.42Å; F97-A120 HydrophobicContact CD2-CB 3.76Å; F97-A120 HydrophobicContact CE2-CB 4.5Å; F97-A120 HydrophobicContact CG-CB 3.71Å; S118-A120 PolarHBondContact O-N 2.86Å; S118-A120 VanDerWaalsContact O-N 3.13Å; A120-Y124 WeakPolarHBondContact O-CD2 3.43Å; A120-Y124 WeakPolarHBondContact O-CE2 3.46Å
121V95.8Very high91.1Very high0 Ų047.8 Ų47.80%025%0.254CS..THydrogen-bonded Turntrans-84.1-24-18076.60000112.6L14 I86 F97 W99 F117 S118 Y124 L125L14-V121 HydrophobicContact CD1-CG2 4.36Å; L14-V121 HydrophobicContact CD2-CG2 4.11Å; I86-V121 HydrophobicContact CD1-CB 4.29Å; I86-V121 HydrophobicContact CD1-CG2 3.62Å; F97-V121 HydrophobicContact CD2-CB 4.3Å; F97-V121 HydrophobicContact CE2-CB 3.93Å; F97-V121 HydrophobicContact CE2-CG2 4.13Å; W99-V121 HydrophobicContact CE3-CG2 4.19Å; W99-V121 HydrophobicContact CZ3-CG2 4.17Å; W99-V121 WeakPolarHBondContact O-CG1 3.39Å; F117-V121 HydrophobicContact CB-CG1 3.99Å; F117-V121 HydrophobicContact CD1-CG1 3.9Å; F117-V121 HydrophobicContact CG-CG1 4.33Å; S118-V121 WeakPolarHBondContact O-CG1 3.47Å; S118-V121 PolarHBondContact O-N 3.43Å; S118-V121 PolarHBondContact OG-N 3.07Å; V121-Y124 WeakPolarHBondContact O-CB 3.36Å; V121-Y124 PolarHBondContact O-N 2.76Å; V121-L125 HydrophobicContact CG1-CD1 4.04Å; V121-L125 HydrophobicContact CG2-CD1 4.09Å; V121-L125 HydrophobicContact CG2-CG 4.24Å; V121-L125 PolarHBondContact O-N 3.08Å
122M93.9Very high91.3Very high8 Ų851.6 Ų51.64%0.03927%0.269CS..THydrogen-bonded Turntrans-56.9-41-173.2-75.5-58.7-66.900115.3L36 P45 K49 F117 S118 Y124 L125 T126L36-M122 HydrophobicContact CD2-CE 4.44Å; P45-M122 HydrophobicContact CB-CE 4Å; P45-M122 WeakPolarHBondContact O-CE 3.22Å; K49-M122 HydrophobicContact CB-CE 4.05Å; K49-M122 HydrophobicContact CB-CG 4.18Å; K49-M122 HydrophobicContact CB-SD 3.87Å; F117-M122 HydrophobicContact CB-CG 4.19Å; F117-M122 HydrophobicContact CB-SD 3.54Å; F117-M122 VanDerWaalsContact CB-SD 3.54Å; F117-M122 HydrophobicContact CD2-SD 4.22Å; F117-M122 HydrophobicContact CG-SD 4.12Å; S118-M122 WeakPolarHBondContact O-CG 3.39Å; S118-M122 PolarHBondContact O-N 3.46Å; M122-Y124 PolarHBondContact O-N 2.78Å; M122-L125 PolarHBondContact O-N 3.06Å; M122-T126 HydrophobicContact CE-CG2 3.56Å; M122-T126 PolarHBondContact O-N 2.72Å; M122-T126 PolarHBondContact O-OG1 3.31Å
123P91.9Very high91.4Very high52 Ų5248.2 Ų48.234%0.33826%0.255SS..Hα-helixtrans-56.7-37.6174.7-26.735.6000112.6D119 L125 Q127D119-P123 VanDerWaalsContact O-CD 3.28Å; D119-P123 WeakPolarHBondContact O-CD 3.37Å; P123-L125 PolarHBondContact O-N 3.49Å; P123-Q127 WeakPolarHBondContact O-CB 3.35Å; P123-Q127 PolarHBondContact O-N 3.31Å; P123-Q127 VanDerWaalsContact O-N 3.16Å
124Y93.4Very high91.4Very high55 Ų5551.7 Ų51.722%0.21627%0.268CS..Hα-helixtrans-75.2-6.5179.6-58.1-79.2000114.5S11 A13 L14 L88 F97 A120 V121 M122S11-Y124 WeakPolarHBondContact CB-O 3.36Å; S11-Y124 PolarHBondContact N-O 3.24Å; S11-Y124 WeakPolarHBondContact OG-CB 3.3Å; S11-Y124 WeakPolarHBondContact OG-CD1 3.41Å; S11-Y124 PolarHBondContact OG-O 2.91Å; A13-Y124 HydrophobicContact CB-CD1 4.33Å; A13-Y124 HydrophobicContact CB-CE1 4.24Å; L14-Y124 HydrophobicContact CB-CG 4.46Å; L88-Y124 HydrophobicContact CD1-CD1 4.47Å; L88-Y124 HydrophobicContact CD1-CE1 3.6Å; L88-Y124 HydrophobicContact CD1-CE2 3.91Å; L88-Y124 WeakPolarHBondContact CD1-OH 3.39Å; F97-Y124 HydrophobicContact CE1-CE2 4.3Å; F97-Y124 HydrophobicContact CE2-CD2 4.45Å; F97-Y124 HydrophobicContact CE2-CE2 4.45Å; F97-Y124 HydrophobicContact CZ-CD2 4.07Å; F97-Y124 AromaticContact CZ-CE2 3.74Å; F97-Y124 HydrophobicContact CZ-CE2 3.74Å; A120-Y124 WeakPolarHBondContact O-CD2 3.43Å; A120-Y124 WeakPolarHBondContact O-CE2 3.46Å; V121-Y124 WeakPolarHBondContact O-CB 3.36Å; V121-Y124 PolarHBondContact O-N 2.76Å; M122-Y124 PolarHBondContact O-N 2.78Å
125L93.8Very high91.5Very high4 Ų448.2 Ų48.22%0.02125%0.251CS..Hα-helixtrans-115.3-27.3-179.7-61.9177.7000113.3K10 L14 I33 L36 F117 V121 M122 P123 L128K10-L125 HydrophobicContact CG-CD2 4.12Å; L14-L125 HydrophobicContact CD2-CD2 3.54Å; L14-L125 HydrophobicContact CD2-CG 4.27Å; I33-L125 HydrophobicContact CD1-CD2 3.77Å; I33-L125 HydrophobicContact CG1-CD1 4.19Å; I33-L125 HydrophobicContact CG1-CD2 3.95Å; I33-L125 HydrophobicContact CG2-CD2 4.12Å; L36-L125 HydrophobicContact CD1-CB 3.66Å; L36-L125 HydrophobicContact CD1-CD1 3.82Å; L36-L125 HydrophobicContact CD1-CG 4.31Å; F117-L125 HydrophobicContact CD1-CD1 3.93Å; F117-L125 HydrophobicContact CD2-CD1 4.49Å; F117-L125 HydrophobicContact CE1-CD1 3.94Å; F117-L125 HydrophobicContact CG-CD1 4.22Å; F117-L125 HydrophobicContact CZ-CD1 4.25Å; V121-L125 HydrophobicContact CG1-CD1 4.04Å; V121-L125 HydrophobicContact CG2-CD1 4.09Å; V121-L125 HydrophobicContact CG2-CG 4.24Å; V121-L125 PolarHBondContact O-N 3.08Å; M122-L125 PolarHBondContact O-N 3.06Å; P123-L125 PolarHBondContact O-N 3.49Å; L125-L128 WeakPolarHBondContact O-CD1 3.45Å
126T89.8Confident91.5Very high16 Ų1648.7 Ų48.710%0.09825%0.254CS..Hα-helixtrans-118.7-30.6-171.756.80000114.1L36 M122 L128L36-T126 HydrophobicContact CD1-CG2 4.44Å; M122-T126 HydrophobicContact CE-CG2 3.56Å; M122-T126 PolarHBondContact O-N 2.72Å; M122-T126 PolarHBondContact O-OG1 3.31Å; T126-L128 PolarHBondContact O-N 2.93Å; T126-L128 VanDerWaalsContact O-N 3.1Å
127Q83.1Confident91.5Very high135 Ų13548.1 Ų48.163%0.63125%0.251SS*.  trans-91.449.1-176.4-58.9-175.819.900111.7P123 K129P123-Q127 WeakPolarHBondContact O-CB 3.35Å; P123-Q127 PolarHBondContact O-N 3.31Å; P123-Q127 VanDerWaalsContact O-N 3.16Å; Q127-K129 PolarHBondContact O-N 2.95Å; Q127-K129 VanDerWaalsContact O-N 3.14Å
128L82.3Confident91.4Very high27 Ų2756.2 Ų56.214%0.14129%0.286CS..  trans-87.886.4-169.9-55.2-177.4000110.9Y9 L125 T126 F132Y9-L128 HydrophobicContact CG-CD1 4.45Å; L125-L128 WeakPolarHBondContact O-CD1 3.45Å; T126-L128 PolarHBondContact O-N 2.93Å; T126-L128 VanDerWaalsContact O-N 3.1Å; L128-F132 HydrophobicContact CB-CB 4.03Å; L128-F132 HydrophobicContact CB-CD1 3.98Å; L128-F132 HydrophobicContact CB-CG 4.09Å; L128-F132 HydrophobicContact CD1-CB 4.06Å; L128-F132 HydrophobicContact CD1-CG 4.45Å; L128-F132 HydrophobicContact CD2-CB 4.16Å; L128-F132 HydrophobicContact CG-CB 4.31Å
129K77.2Confident91.4Very high200 Ų20057.2 Ų57.287%0.8729%0.29SS*.SBendtrans-107.3117.3167.7-67.4-175.7-179.8179.60109.3Q127 Q131Q127-K129 PolarHBondContact O-N 2.95Å; Q127-K129 VanDerWaalsContact O-N 3.14Å; K129-Q131 PolarHBondContact O-N 2.65Å
130G78.1Confident91.4Very high61 Ų6153.6 Ų53.663%0.62927%0.271SS*.SBendtrans86.2-91.3177.200000114F132G130-F132 VanDerWaalsContact O-CD1 3.25Å; G130-F132 WeakPolarHBondContact O-CD1 3.45Å; G130-F132 PolarHBondContact O-N 3.34Å; G130-F132 VanDerWaalsContact O-N 3.15Å
131Q86.2Confident91.4Very high147 Ų14752 Ų5269%0.68726%0.257SS*.SBendtrans-87.883-165.7-65.4-63.1-31.700112.6N12 K129N12-Q131 HydrophobicContact CB-CB 4.3Å; N12-Q131 PolarHBondContact N-O 2.88Å; N12-Q131 PolarHBondContact ND2-OE1 3.33Å; K129-Q131 PolarHBondContact O-N 2.65Å
132F93.2Very high91.4Very high84 Ų8455.4 Ų55.437%0.36828%0.275SS..EExtended strand (participates in β ladder)trans-134.7156.1175.661.8-92000112.2Y9 K10 N12 L128 G130Y9-F132 AromaticContact CD1-CD2 3.83Å; Y9-F132 HydrophobicContact CD1-CD2 3.83Å; Y9-F132 AromaticContact CD1-CE2 3.94Å; Y9-F132 HydrophobicContact CD1-CE2 3.94Å; Y9-F132 HydrophobicContact CE1-CD2 4.43Å; Y9-F132 HydrophobicContact CE1-CE2 4.09Å; K10-F132 CarbonylContact O-C 3.5Å; K10-F132 VanDerWaalsContact O-CA 3.27Å; K10-F132 WeakPolarHBondContact O-CA 3.41Å; K10-F132 WeakPolarHBondContact O-CB 3.47Å; N12-F132 WeakPolarHBondContact OD1-CA 3.35Å; L128-F132 HydrophobicContact CB-CB 4.03Å; L128-F132 HydrophobicContact CB-CD1 3.98Å; L128-F132 HydrophobicContact CB-CG 4.09Å; L128-F132 HydrophobicContact CD1-CB 4.06Å; L128-F132 HydrophobicContact CD1-CG 4.45Å; L128-F132 HydrophobicContact CD2-CB 4.16Å; L128-F132 HydrophobicContact CG-CB 4.31Å; G130-F132 VanDerWaalsContact O-CD1 3.25Å; G130-F132 WeakPolarHBondContact O-CD1 3.45Å; G130-F132 PolarHBondContact O-N 3.34Å; G130-F132 VanDerWaalsContact O-N 3.15Å
133T94.9Very high91.5Very high1 Ų155 Ų551%0.00627%0.273CS..EExtended strand (participates in β ladder)trans-109.1134.6179.7-65.40000109.6Y9 K10 N12 V15 V135 E153 Q156 Q157Y9-T133 WeakPolarHBondContact CA-O 3.1Å; K10-T133 PolarHBondContact N-O 3.17Å; K10-T133 VanDerWaalsContact N-O 3.11Å; K10-T133 PolarHBondContact O-N 3.44Å; N12-T133 PolarHBondContact OD1-N 3.01Å; N12-T133 PolarHBondContact OD1-OG1 3.16Å; V15-T133 HydrophobicContact CG2-CG2 4.13Å; T133-V135 HydrophobicContact CG2-CG2 4.26Å; T133-E153 WeakPolarHBondContact CG2-O 3.33Å; T133-Q156 HydrophobicContact CG2-CB 3.77Å; T133-Q157 WeakPolarHBondContact OG1-CA 3.4Å; T133-Q157 WeakPolarHBondContact OG1-CB 3.41Å
134R94.8Very high91.7Very high73 Ų7355.4 Ų55.428%0.27528%0.278SS..EExtended strand (participates in β ladder)trans-104.7121.6180-178.8-179.7167.4-83.13110.5I7 Y9 V136I7-R134 VanDerWaalsContact CD1-NH2 3.34Å; I7-R134 HydrophobicContact CG2-CG 3.43Å; I7-R134 VanDerWaalsContact CG2-CG 3.43Å; Y9-R134 HydrophobicContact CD1-CB 4.12Å; Y9-R134 HydrophobicContact CD1-CG 4.2Å; Y9-R134 HydrophobicContact CE1-CB 3.9Å; Y9-R134 HydrophobicContact CE1-CG 3.63Å; R134-V136 VanDerWaalsContact NH2-CG2 3.26Å
135V96.2Very high91.9Very high0 Ų057.7 Ų57.70%029%0.286CS..EExtended strand (participates in β ladder)trans-117.4112.1179-176.40000109.5I7 A8 L30 T133 I140 Y152 E153I7-V135 CarbonylContact C-O 3.54Å; I7-V135 WeakPolarHBondContact CA-O 3.35Å; A8-V135 HydrophobicContact CB-CB 4.38Å; A8-V135 PolarHBondContact N-O 2.91Å; A8-V135 PolarHBondContact O-N 3.15Å; L30-V135 HydrophobicContact CD1-CG1 4.47Å; L30-V135 HydrophobicContact CD2-CB 4.45Å; L30-V135 HydrophobicContact CD2-CG1 4.24Å; T133-V135 HydrophobicContact CG2-CG2 4.26Å; V135-I140 HydrophobicContact CG1-CG1 4.19Å; V135-I140 HydrophobicContact CG1-CG2 4.39Å; V135-Y152 HydrophobicContact CG1-CD1 4.32Å; V135-Y152 HydrophobicContact CG1-CE1 4.09Å; V135-E153 HydrophobicContact CG2-CG 3.96Å
136V95.9Very high92.1Very high12 Ų1258.6 Ų58.67%0.07329%0.292CS..EExtended strand (participates in β ladder)trans-80.6121.6172-171.60000108.2P5 I7 R134 K138 N139P5-V136 HydrophobicContact CB-CG1 4.19Å; I7-V136 HydrophobicContact CG1-CG2 4.4Å; R134-V136 VanDerWaalsContact NH2-CG2 3.26Å; V136-K138 HydrophobicContact CG1-CB 4.16Å; V136-K138 PolarHBondContact O-N 3.29Å; V136-N139 HydrophobicContact CB-CB 4.28Å; V136-N139 WeakPolarHBondContact O-CB 3.35Å; V136-N139 PolarHBondContact O-N 2.94Å
137I96.5Very high92.5Very high3 Ų359.7 Ų59.72%0.01530%0.295CS..Hα-helixtrans-58.7-39.7-176-65.8-169.7000111.4L6 L31 F62 N139 I140 S141L6-I137 HydrophobicContact CB-CB 4.11Å; L6-I137 HydrophobicContact CB-CD1 3.78Å; L6-I137 HydrophobicContact CB-CG1 4.05Å; L6-I137 HydrophobicContact CD1-CD1 4.37Å; L6-I137 PolarHBondContact O-N 3.49Å; L31-I137 HydrophobicContact CB-CD1 4.29Å; L31-I137 HydrophobicContact CD1-CD1 4.17Å; F62-I137 HydrophobicContact CE1-CG2 3.74Å; F62-I137 HydrophobicContact CE2-CG2 4.3Å; F62-I137 HydrophobicContact CZ-CG2 3.55Å; I137-N139 PolarHBondContact O-N 3.19Å; I137-N139 VanDerWaalsContact O-N 3.12Å; I137-I140 WeakPolarHBondContact O-CG1 3.36Å; I137-I140 PolarHBondContact O-N 3.35Å; I137-S141 PolarHBondContact O-N 2.83Å
138K95.2Very high93.3Very high170 Ų17053.2 Ų53.274%0.73927%0.265SS*.Hα-helixtrans-57-28.9177.2-172.3174.7-179.3178.20113.7V136 I140 S141V136-K138 HydrophobicContact CG1-CB 4.16Å; V136-K138 PolarHBondContact O-N 3.29Å; K138-I140 VanDerWaalsContact C-N 3.31Å; K138-S141 PolarHBondContact O-OG 3.32Å
139N95.8Very high94Very high32 Ų3252 Ų5217%0.17126%0.258CS..Hα-helixtrans-79.8-17-178.3-66.4-4.8000113V136 I137 Y152 S203 D204V136-N139 HydrophobicContact CB-CB 4.28Å; V136-N139 WeakPolarHBondContact O-CB 3.35Å; V136-N139 PolarHBondContact O-N 2.94Å; I137-N139 PolarHBondContact O-N 3.19Å; I137-N139 VanDerWaalsContact O-N 3.12Å; N139-Y152 HydrophobicContact CB-CE2 4.34Å; N139-Y152 VanDerWaalsContact CB-OH 3.23Å; N139-Y152 WeakPolarHBondContact CB-OH 3.48Å; N139-Y152 PolarHBondContact ND2-OH 3.42Å; N139-Y152 VanDerWaalsContact ND2-OH 3.11Å; N139-S203 WeakPolarHBondContact O-CA 3.31Å; N139-S203 WeakPolarHBondContact O-CB 3.45Å; N139-D204 HydrophobicContact CB-CB 4.3Å; N139-D204 VanDerWaalsContact CB-OD1 3.32Å; N139-D204 WeakPolarHBondContact CB-OD1 3.46Å; N139-D204 PolarHBondContact ND2-OD1 2.83Å; N139-D204 PolarHBondContact ND2-OD2 2.87Å
140I96Very high95Very high0 Ų042.6 Ų42.60%022%0.217CC..Hα-helixtrans-115.2-4.4179.662.688000112.5L30 F62 V135 I137 K138 N142 L143 I149 Y152L30-I140 HydrophobicContact CD1-CD1 3.69Å; L30-I140 HydrophobicContact CD1-CG1 4.25Å; F62-I140 HydrophobicContact CE1-CD1 3.75Å; F62-I140 HydrophobicContact CZ-CD1 4.28Å; V135-I140 HydrophobicContact CG1-CG1 4.19Å; V135-I140 HydrophobicContact CG1-CG2 4.39Å; I137-I140 WeakPolarHBondContact O-CG1 3.36Å; I137-I140 PolarHBondContact O-N 3.35Å; K138-I140 VanDerWaalsContact C-N 3.31Å; I140-N142 PolarHBondContact O-N 3.21Å; I140-N142 VanDerWaalsContact O-N 3.17Å; I140-L143 HydrophobicContact CB-CD1 3.83Å; I140-L143 HydrophobicContact CB-CG 4.34Å; I140-L143 HydrophobicContact CG2-CD1 3.83Å; I140-L143 WeakPolarHBondContact O-CB 3.45Å; I140-L143 PolarHBondContact O-N 3.38Å; I140-I149 HydrophobicContact CD1-CD1 4.36Å; I140-Y152 HydrophobicContact CG2-CD1 3.34Å; I140-Y152 HydrophobicContact CG2-CD2 4Å; I140-Y152 HydrophobicContact CG2-CE1 3.56Å; I140-Y152 HydrophobicContact CG2-CE2 4.18Å; I140-Y152 HydrophobicContact CG2-CG 3.59Å
141S95.3Very high96Very high12 Ų1239.8 Ų39.88%0.08419%0.188CC..THydrogen-bonded Turntrans-60.7-31.6-170.565.70000113.4R27 S61 I137 K138R27-S141 PolarHBondContact NH2-O 2.95Å; S61-S141 WeakPolarHBondContact O-CB 3.23Å; I137-S141 PolarHBondContact O-N 2.83Å; K138-S141 PolarHBondContact O-OG 3.32Å
142N95.2Very high96.6Very high71 Ų7132.8 Ų32.838%0.3816%0.155SC..THydrogen-bonded Turntrans-94.40.2-179.9-63.8-30.2000113.5I140 K202I140-N142 PolarHBondContact O-N 3.21Å; I140-N142 VanDerWaalsContact O-N 3.17Å; N142-K202 HydrophobicContact CB-CB 4.27Å; N142-K202 HydrophobicContact CB-CD 4.49Å; N142-K202 WeakPolarHBondContact O-CD 3.33Å
143L96.9Very high96.8Very high0 Ų028.9 Ų28.90%014%0.138CC..  trans-72.6130.6176.3-60.4-177.7000109.6L23 R27 I140 I149 E198 L199 K202L23-L143 WeakPolarHBondContact CD1-O 3.19Å; R27-L143 PolarHBondContact NH2-O 2.89Å; I140-L143 HydrophobicContact CB-CD1 3.83Å; I140-L143 HydrophobicContact CB-CG 4.34Å; I140-L143 HydrophobicContact CG2-CD1 3.83Å; I140-L143 WeakPolarHBondContact O-CB 3.45Å; I140-L143 PolarHBondContact O-N 3.38Å; L143-I149 HydrophobicContact CB-CG1 4.02Å; L143-I149 HydrophobicContact CD1-CG1 3.94Å; L143-E198 HydrophobicContact CD2-CG 3.84Å; L143-L199 HydrophobicContact CD1-CD2 3.75Å; L143-L199 HydrophobicContact CD2-CD2 4.03Å; L143-K202 HydrophobicContact CD2-CB 3.97Å
144S96.4Very high97Very high61 Ų6129.1 Ų29.143%0.42714%0.139SC..  trans-105.8-8.7-176.665.90000113.6L23 E198L23-S144 WeakPolarHBondContact CD2-O 2.96Å; S144-E198 WeakPolarHBondContact CA-OE1 3.42Å; S144-E198 WeakPolarHBondContact CB-OE1 3.39Å; S144-E198 PolarHBondContact N-OE1 3.24Å; S144-E198 PolarHBondContact OG-OE1 3.12Å
145R97.7Very high97.1Very high103 Ų10325.7 Ų25.739%0.38913%0.126SC..  trans-107.9129.2175-58.2171.9166-111.6-3.6110.6Y147 S148 I149 D190 P194 E198R145-Y147 PolarHBondContact O-N 3.38Å; R145-S148 WeakPolarHBondContact CB-OG 3.34Å; R145-S148 WeakPolarHBondContact O-CB 3.35Å; R145-S148 PolarHBondContact O-N 3.21Å; R145-I149 PolarHBondContact O-N 2.75Å; R145-D190 PolarHBondContact NH1-O 3.17Å; R145-P194 VanDerWaalsContact CZ-CB 3.4Å; R145-E198 VanDerWaalsContact CB-OE2 3.25Å; R145-E198 WeakPolarHBondContact CB-OE2 3.49Å; R145-E198 WeakPolarHBondContact CD-OE2 3.45Å; R145-E198 VanDerWaalsContact CG-OE2 3.3Å; R145-E198 WeakPolarHBondContact CG-OE2 3.39Å; R145-E198 PolarHBondContact N-OE2 2.93Å
146S97.6Very high97.2Very high22 Ų2226.1 Ų26.115%0.15413%0.128CC..Hα-helixtrans-61.5-31.117559.90000113.1L21 Q26 R150L21-S146 WeakPolarHBondContact O-CB 3.41Å; Q26-S146 PolarHBondContact NE2-O 3.01Å; Q26-S146 PolarHBondContact OE1-O 2.76Å; S146-R150 PolarHBondContact O-N 3.03Å
147Y98.5Very high97.2Very high39 Ų3927 Ų2715%0.15313%0.132CC..Hα-helixtrans-71.7-30.2173.8-63.1-58.6000112.8R145 I149 R150 I151 L175 L177 L191R145-Y147 PolarHBondContact O-N 3.38Å; Y147-I149 VanDerWaalsContact C-N 3.34Å; Y147-R150 PolarHBondContact O-N 3Å; Y147-I151 WeakPolarHBondContact O-CB 3.39Å; Y147-I151 VanDerWaalsContact O-CG1 3.24Å; Y147-I151 WeakPolarHBondContact O-CG1 3.48Å; Y147-I151 PolarHBondContact O-N 3.28Å; Y147-L175 HydrophobicContact CD1-CB 4.22Å; Y147-L175 HydrophobicContact CD1-CD1 4.23Å; Y147-L175 HydrophobicContact CD1-CD2 4.25Å; Y147-L175 HydrophobicContact CD1-CG 4.48Å; Y147-L175 HydrophobicContact CE1-CB 4.17Å; Y147-L177 HydrophobicContact CE1-CD2 4.04Å; Y147-L177 WeakPolarHBondContact OH-CD2 3.32Å; Y147-L191 HydrophobicContact CD1-CD1 4.37Å; Y147-L191 HydrophobicContact CD2-CD1 3.63Å; Y147-L191 HydrophobicContact CD2-CG 4.13Å; Y147-L191 HydrophobicContact CE2-CD1 3.77Å; Y147-L191 HydrophobicContact CG-CD1 3.95Å; Y147-L191 HydrophobicContact CG-CG 4.34Å
148S98.5Very high97.2Very high0 Ų028.9 Ų28.90%014%0.14CC..Hα-helixtrans-64.3-41.3174.4-61.50000111R145 I151 Y152 C195 E198R145-S148 WeakPolarHBondContact CB-OG 3.34Å; R145-S148 WeakPolarHBondContact O-CB 3.35Å; R145-S148 PolarHBondContact O-N 3.21Å; S148-I151 PolarHBondContact O-N 2.95Å; S148-Y152 VanDerWaalsContact O-CB 3.32Å; S148-Y152 WeakPolarHBondContact O-CB 3.32Å; S148-Y152 PolarHBondContact O-N 3.27Å; S148-C195 WeakPolarHBondContact OG-CA 3.37Å; S148-C195 WeakPolarHBondContact OG-CB 3.47Å; S148-E198 WeakPolarHBondContact CB-OE2 3.47Å; S148-E198 PolarHBondContact OG-OE2 2.97Å
149I98.4Very high97.2Very high0 Ų025.9 Ų25.90%012%0.124CC..Hα-helixtrans-62-46.7174.1-62.9175.7000110.4L23 Q26 R27 L30 I140 L143 R145 Y147 I151 Y152 E153L23-I149 HydrophobicContact CD1-CD1 3.59Å; Q26-I149 HydrophobicContact CB-CD1 4.33Å; Q26-I149 VanDerWaalsContact OE1-CB 3.28Å; R27-I149 HydrophobicContact CG-CD1 4.38Å; L30-I149 HydrophobicContact CD1-CG2 3.85Å; I140-I149 HydrophobicContact CD1-CD1 4.36Å; L143-I149 HydrophobicContact CB-CG1 4.02Å; L143-I149 HydrophobicContact CD1-CG1 3.94Å; R145-I149 PolarHBondContact O-N 2.75Å; Y147-I149 VanDerWaalsContact C-N 3.34Å; I149-I151 PolarHBondContact O-N 3.05Å; I149-Y152 VanDerWaalsContact O-CB 3.31Å; I149-Y152 WeakPolarHBondContact O-CB 3.48Å; I149-Y152 PolarHBondContact O-N 3.02Å; I149-E153 WeakPolarHBondContact O-CG 3.33Å; I149-E153 PolarHBondContact O-N 3.46Å
150R98.3Very high97.1Very high4 Ų429.9 Ų29.92%0.01515%0.154CC..Hα-helixtrans-60.2-44.8177.6-68.2-66.4-68.5127.4-2.2112.6V15 A17 Y19 S146 Y147 Y152 E153 I154 S174 L175V15-R150 PolarHBondContact O-NH1 2.83Å; V15-R150 PolarHBondContact O-NH2 2.97Å; A17-R150 PolarHBondContact O-NH2 2.86Å; Y19-R150 VanDerWaalsContact OH-CZ 3.26Å; Y19-R150 PolarHBondContact OH-NH1 3.16Å; S146-R150 PolarHBondContact O-N 3.03Å; Y147-R150 PolarHBondContact O-N 3Å; R150-Y152 VanDerWaalsContact C-N 3.32Å; R150-Y152 PolarHBondContact O-N 3.28Å; R150-E153 IonicContact CZ-OE2 3.78Å; R150-E153 IonicContact NH1-OE2 2.79Å; R150-E153 PolarHBondContact NH1-OE2 3Å; R150-E153 PolarHBondContact O-N 2.82Å; R150-I154 WeakPolarHBondContact O-CG1 3.29Å; R150-I154 PolarHBondContact O-N 3.27Å; R150-S174 PolarHBondContact NH2-O 2.8Å; R150-L175 HydrophobicContact CB-CD2 3.4Å; R150-L175 HydrophobicContact CG-CD2 3.98Å
151I98.6Very high97.1Very high2 Ų234 Ų341%0.0118%0.18CC..Hα-helixtrans-63.5-41.7177-67.1165.5000109.9Y147 S148 I149 E153 I154 L155 F171 L175 L191 C195 L199 F223Y147-I151 WeakPolarHBondContact O-CB 3.39Å; Y147-I151 VanDerWaalsContact O-CG1 3.24Å; Y147-I151 WeakPolarHBondContact O-CG1 3.48Å; Y147-I151 PolarHBondContact O-N 3.28Å; S148-I151 PolarHBondContact O-N 2.95Å; I149-I151 PolarHBondContact O-N 3.05Å; I151-E153 PolarHBondContact O-N 2.9Å; I151-I154 PolarHBondContact O-N 3.21Å; I151-L155 HydrophobicContact CG2-CD1 4.15Å; I151-L155 HydrophobicContact CG2-CG 4.27Å; I151-L155 VanDerWaalsContact O-CG 3.3Å; I151-L155 WeakPolarHBondContact O-CG 3.49Å; I151-L155 PolarHBondContact O-N 3.43Å; I151-F171 HydrophobicContact CD1-CE2 4.31Å; I151-F171 HydrophobicContact CD1-CZ 4.04Å; I151-F171 HydrophobicContact CG1-CE2 4.06Å; I151-F171 HydrophobicContact CG1-CZ 4.25Å; I151-L175 HydrophobicContact CG1-CD1 4.49Å; I151-L191 HydrophobicContact CD1-CD2 4.34Å; I151-C195 HydrophobicContact CD1-CB 3.59Å; I151-L199 HydrophobicContact CB-CD1 4.34Å; I151-L199 HydrophobicContact CG2-CD1 3.78Å; I151-F223 HydrophobicContact CG2-CE1 4.38Å
152Y98.6Very high97.3Very high0 Ų034.2 Ų34.20%018%0.183CC..Hα-helixtrans-55.9-48.2174.1-177.4-88.1000112.2V135 N139 I140 S148 I149 R150 I154 L155 Q156 L199 D204 L205V135-Y152 HydrophobicContact CG1-CD1 4.32Å; V135-Y152 HydrophobicContact CG1-CE1 4.09Å; N139-Y152 HydrophobicContact CB-CE2 4.34Å; N139-Y152 VanDerWaalsContact CB-OH 3.23Å; N139-Y152 WeakPolarHBondContact CB-OH 3.48Å; N139-Y152 PolarHBondContact ND2-OH 3.42Å; N139-Y152 VanDerWaalsContact ND2-OH 3.11Å; I140-Y152 HydrophobicContact CG2-CD1 3.34Å; I140-Y152 HydrophobicContact CG2-CD2 4Å; I140-Y152 HydrophobicContact CG2-CE1 3.56Å; I140-Y152 HydrophobicContact CG2-CE2 4.18Å; I140-Y152 HydrophobicContact CG2-CG 3.59Å; S148-Y152 VanDerWaalsContact O-CB 3.32Å; S148-Y152 WeakPolarHBondContact O-CB 3.32Å; S148-Y152 PolarHBondContact O-N 3.27Å; I149-Y152 VanDerWaalsContact O-CB 3.31Å; I149-Y152 WeakPolarHBondContact O-CB 3.48Å; I149-Y152 PolarHBondContact O-N 3.02Å; R150-Y152 VanDerWaalsContact C-N 3.32Å; R150-Y152 PolarHBondContact O-N 3.28Å; Y152-I154 PolarHBondContact O-N 2.93Å; Y152-L155 PolarHBondContact O-N 2.82Å; Y152-Q156 HydrophobicContact CD1-CG 3.95Å; Y152-Q156 HydrophobicContact CE1-CG 3.48Å; Y152-Q156 VanDerWaalsContact CE1-CG 3.48Å; Y152-Q156 HydrophobicContact CE2-CG 4.41Å; Y152-Q156 WeakPolarHBondContact O-CG 3.47Å; Y152-Q156 PolarHBondContact O-N 2.89Å; Y152-L199 HydrophobicContact CD2-CD2 4.06Å; Y152-D204 WeakPolarHBondContact CE2-OD1 3.27Å; Y152-D204 PolarHBondContact OH-OD1 3.29Å; Y152-L205 HydrophobicContact CD2-CD1 3.71Å; Y152-L205 HydrophobicContact CD2-CG 4.25Å; Y152-L205 HydrophobicContact CE2-CD1 3.74Å; Y152-L205 HydrophobicContact CE2-CG 3.85Å
153E98.4Very high97.4Very high1 Ų135.4 Ų35.41%0.00519%0.187CC..Hα-helixtrans-59-47.5177.1-65.3-179.2122.700111.5K10 V15 Y19 T133 V135 I149 R150 I151 L155 Q156 Q157K10-E153 WeakPolarHBondContact CE-OE1 3.37Å; K10-E153 IonicContact NZ-OE1 2.74Å; K10-E153 PolarHBondContact NZ-OE1 3.05Å; K10-E153 IonicContact NZ-OE2 2.96Å; V15-E153 HydrophobicContact CG1-CB 4.05Å; Y19-E153 PolarHBondContact OH-OE2 3.16Å; T133-E153 WeakPolarHBondContact CG2-O 3.33Å; V135-E153 HydrophobicContact CG2-CG 3.96Å; I149-E153 WeakPolarHBondContact O-CG 3.33Å; I149-E153 PolarHBondContact O-N 3.46Å; R150-E153 IonicContact CZ-OE2 3.78Å; R150-E153 IonicContact NH1-OE2 2.79Å; R150-E153 PolarHBondContact NH1-OE2 3Å; R150-E153 PolarHBondContact O-N 2.82Å; I151-E153 PolarHBondContact O-N 2.9Å; E153-L155 VanDerWaalsContact C-N 3.31Å; E153-L155 PolarHBondContact O-N 2.94Å; E153-Q156 PolarHBondContact O-N 2.66Å; E153-Q157 PolarHBondContact O-N 3Å
154I98Very high97.5Very high6 Ų637.6 Ų37.63%0.03120%0.195CC..Hα-helixtrans-59.6-42177.9-68.1164.3000111V15 R150 I151 Y152 Q157 F158 R164 L175V15-I154 HydrophobicContact CG1-CG1 4.2Å; R150-I154 WeakPolarHBondContact O-CG1 3.29Å; R150-I154 PolarHBondContact O-N 3.27Å; I151-I154 PolarHBondContact O-N 3.21Å; Y152-I154 PolarHBondContact O-N 2.93Å; I154-Q157 WeakPolarHBondContact O-CB 3.23Å; I154-F158 WeakPolarHBondContact O-CD2 3.24Å; I154-R164 HydrophobicContact CG2-CG 4.47Å; I154-L175 HydrophobicContact CD1-CD2 4.45Å
155L98.4Very high97.6Very high1 Ų139 Ų391%0.00520%0.197CC..Hα-helixtrans-68.3-41.3177.6-64.1-178.2000111.4I151 Y152 E153 Q157 F158 R159 R164 L199 L205 V207 F223 F225I151-L155 HydrophobicContact CG2-CD1 4.15Å; I151-L155 HydrophobicContact CG2-CG 4.27Å; I151-L155 VanDerWaalsContact O-CG 3.3Å; I151-L155 WeakPolarHBondContact O-CG 3.49Å; I151-L155 PolarHBondContact O-N 3.43Å; Y152-L155 PolarHBondContact O-N 2.82Å; E153-L155 VanDerWaalsContact C-N 3.31Å; E153-L155 PolarHBondContact O-N 2.94Å; L155-Q157 PolarHBondContact O-N 3.45Å; L155-Q157 VanDerWaalsContact O-N 3.16Å; L155-F158 CarbonylContact O-C 3.49Å; L155-F158 WeakPolarHBondContact O-CA 3.48Å; L155-F158 PolarHBondContact O-N 3.38Å; L155-R159 PolarHBondContact O-N 3.22Å; L155-R164 HydrophobicContact CD2-CB 4.34Å; L155-L199 HydrophobicContact CD1-CD1 4.26Å; L155-L205 HydrophobicContact CB-CD1 4.37Å; L155-L205 HydrophobicContact CD1-CD1 4.25Å; L155-V207 HydrophobicContact CD1-CG1 3.81Å; L155-V207 HydrophobicContact CD1-CG2 3.96Å; L155-F223 HydrophobicContact CD2-CB 3.54Å; L155-F223 HydrophobicContact CD2-CD1 4.09Å; L155-F223 HydrophobicContact CD2-CD2 4.33Å; L155-F223 HydrophobicContact CD2-CG 3.75Å; L155-F225 HydrophobicContact CB-CD1 4.24Å; L155-F225 HydrophobicContact CB-CD2 4.26Å; L155-F225 HydrophobicContact CB-CE1 4.08Å; L155-F225 HydrophobicContact CB-CE2 4.08Å; L155-F225 HydrophobicContact CB-CG 4.36Å; L155-F225 HydrophobicContact CB-CZ 4.01Å; L155-F225 HydrophobicContact CD1-CD1 4.38Å; L155-F225 HydrophobicContact CD1-CG 4.33Å; L155-F225 HydrophobicContact CD2-CD1 3.86Å; L155-F225 HydrophobicContact CD2-CE1 3.92Å; L155-F225 HydrophobicContact CG-CD1 4.37Å; L155-F225 HydrophobicContact CG-CE1 4.5Å; L155-F225 WeakPolarHBondContact O-CE2 3.45Å; L155-F225 WeakPolarHBondContact O-CZ 2.91Å
156Q97.2Very high97.6Very high9 Ų934.7 Ų34.74%0.04218%0.181CC..Hα-helixtrans-63.2-23.9-179.2-77.1-61.59000114.3T133 Y152 E153 F158 R159T133-Q156 HydrophobicContact CG2-CB 3.77Å; Y152-Q156 HydrophobicContact CD1-CG 3.95Å; Y152-Q156 HydrophobicContact CE1-CG 3.48Å; Y152-Q156 VanDerWaalsContact CE1-CG 3.48Å; Y152-Q156 HydrophobicContact CE2-CG 4.41Å; Y152-Q156 WeakPolarHBondContact O-CG 3.47Å; Y152-Q156 PolarHBondContact O-N 2.89Å; E153-Q156 PolarHBondContact O-N 2.66Å; Q156-F158 PolarHBondContact O-N 3.29Å; Q156-R159 VanDerWaalsContact O-CB 3.32Å; Q156-R159 WeakPolarHBondContact O-CB 3.33Å; Q156-R159 PolarHBondContact O-N 3.44Å
157Q96.3Very high97.6Very high32 Ų3235.5 Ų35.515%0.1519%0.19CC..Hα-helixtrans-56.9-34.8168.5-178.1-177.5-1.400112.3N12 E16 T133 E153 I154 L155N12-Q157 HydrophobicContact CB-CG 4.26Å; E16-Q157 PolarHBondContact OE1-NE2 2.87Å; E16-Q157 PolarHBondContact OE1-OE1 3.47Å; T133-Q157 WeakPolarHBondContact OG1-CA 3.4Å; T133-Q157 WeakPolarHBondContact OG1-CB 3.41Å; E153-Q157 PolarHBondContact O-N 3Å; I154-Q157 WeakPolarHBondContact O-CB 3.23Å; L155-Q157 PolarHBondContact O-N 3.45Å; L155-Q157 VanDerWaalsContact O-N 3.16Å
158F96.9Very high97.5Very high42 Ų4234.6 Ų34.618%0.18419%0.187CC..THydrogen-bonded Turntrans-103.119.4-177.4-64-89.3000112.6I154 L155 Q156 S160 T161 G162 E163 R164 F225I154-F158 WeakPolarHBondContact O-CD2 3.24Å; L155-F158 CarbonylContact O-C 3.49Å; L155-F158 WeakPolarHBondContact O-CA 3.48Å; L155-F158 PolarHBondContact O-N 3.38Å; Q156-F158 PolarHBondContact O-N 3.29Å; F158-S160 PolarHBondContact O-N 3.03Å; F158-S160 VanDerWaalsContact O-N 3.09Å; F158-T161 PolarHBondContact O-N 3.42Å; F158-T161 PolarHBondContact O-OG1 3.38Å; F158-T161 VanDerWaalsContact O-OG1 3.11Å; F158-G162 PolarHBondContact O-N 3.01Å; F158-E163 WeakPolarHBondContact CB-O 3.42Å; F158-R164 HydrophobicContact CB-CB 4.39Å; F158-R164 HydrophobicContact CD2-CB 3.99Å; F158-R164 HydrophobicContact CD2-CG 3.94Å; F158-R164 HydrophobicContact CE2-CG 4.1Å; F158-R164 VanDerWaalsContact CE2-NE 3.29Å; F158-R164 HydrophobicContact CG-CB 4.09Å; F158-R164 HydrophobicContact CG-CG 4.45Å; F158-F225 HydrophobicContact CB-CE1 4.29Å; F158-F225 HydrophobicContact CB-CZ 4.01Å; F158-F225 WeakPolarHBondContact O-CZ 3.26Å
159R94.4Very high97.4Very high106 Ų10640.3 Ų40.340%0.422%0.218SC..THydrogen-bonded Turntrans-54.5-32.8-176.6177.4-178.2172.4-178.50.4113.4L155 Q156 T161 E227L155-R159 PolarHBondContact O-N 3.22Å; Q156-R159 VanDerWaalsContact O-CB 3.32Å; Q156-R159 WeakPolarHBondContact O-CB 3.33Å; Q156-R159 PolarHBondContact O-N 3.44Å; R159-T161 VanDerWaalsContact C-N 3.35Å; R159-E227 IonicContact CZ-OE1 2.79Å; R159-E227 IonicContact NE-OE1 3.49Å; R159-E227 PolarHBondContact NE-OE1 2.86Å; R159-E227 VanDerWaalsContact NE-OE1 3.11Å; R159-E227 IonicContact NH1-OE1 2.81Å; R159-E227 PolarHBondContact NH1-OE1 3.42Å; R159-E227 IonicContact NH2-OE1 2.59Å; R159-E227 PolarHBondContact NH2-OE1 2.99Å; R159-E227 IonicContact NH2-OE2 3.2Å; R159-E227 PolarHBondContact NH2-OE2 3.49Å
160S93.7Very high97.3Very high116 Ų11644.9 Ų44.981%0.81124%0.242SC*.THydrogen-bonded Turntrans-67.1-33-179.7530000113.3F158F158-S160 PolarHBondContact O-N 3.03Å; F158-S160 VanDerWaalsContact O-N 3.09Å
161T96.9Very high97.2Very high87 Ų8744.8 Ų44.853%0.53424%0.242SC..THydrogen-bonded Turntrans-96.1-28.9179.761.20000112.1F158 R159 E163F158-T161 PolarHBondContact O-N 3.42Å; F158-T161 PolarHBondContact O-OG1 3.38Å; F158-T161 VanDerWaalsContact O-OG1 3.11Å; R159-T161 VanDerWaalsContact C-N 3.35Å; T161-E163 PolarHBondContact O-N 3.31Å; T161-E163 PolarHBondContact OG1-N 3.37Å; T161-E163 PolarHBondContact OG1-O 3.12Å
162G97.7Very high97.2Very high16 Ų1646.1 Ų46.117%0.16525%0.248CC..THydrogen-bonded Turntrans72.114.1-174.200000113.3F158 R224 F225F158-G162 PolarHBondContact O-N 3.01Å; G162-R224 CarbonylContact O-C 3.52Å; G162-R224 WeakPolarHBondContact O-CA 3.48Å; G162-F225 VanDerWaalsContact C-CE1 3.41Å; G162-F225 VanDerWaalsContact CA-O 3.3Å; G162-F225 WeakPolarHBondContact CA-O 3.47Å; G162-F225 WeakPolarHBondContact O-CD1 3.16Å; G162-F225 PolarHBondContact O-N 3.14Å
163E98.2Very high97Very high97 Ų9746.4 Ų46.445%0.45325%0.25SC..EExtended strand (participates in β ladder)trans-140.1142.8179.461.9173.8-15200112.5F158 T161 F223F158-E163 WeakPolarHBondContact CB-O 3.42Å; T161-E163 PolarHBondContact O-N 3.31Å; T161-E163 PolarHBondContact OG1-N 3.37Å; T161-E163 PolarHBondContact OG1-O 3.12Å; E163-F223 CarbonylContact C-O 3.52Å; E163-F223 VanDerWaalsContact CA-O 3.3Å; E163-F223 WeakPolarHBondContact CA-O 3.38Å
164R98.1Very high97Very high46 Ų4646.7 Ų46.717%0.17425%0.252CS..EExtended strand (participates in β ladder)trans-139.9116.6173174.953.2162.2-177-12.9110.1E16 I154 L155 F158 I166 F223E16-R164 IonicContact OE1-CZ 3.11Å; E16-R164 IonicContact OE1-NH2 3.83Å; E16-R164 PolarHBondContact OE1-NH2 3.22Å; I154-R164 HydrophobicContact CG2-CG 4.47Å; L155-R164 HydrophobicContact CD2-CB 4.34Å; F158-R164 HydrophobicContact CB-CB 4.39Å; F158-R164 HydrophobicContact CD2-CB 3.99Å; F158-R164 HydrophobicContact CD2-CG 3.94Å; F158-R164 HydrophobicContact CE2-CG 4.1Å; F158-R164 VanDerWaalsContact CE2-NE 3.29Å; F158-R164 HydrophobicContact CG-CB 4.09Å; F158-R164 HydrophobicContact CG-CG 4.45Å; R164-I166 HydrophobicContact CG-CB 4.42Å; R164-F223 HydrophobicContact CB-CB 4.44Å; R164-F223 PolarHBondContact N-O 2.87Å; R164-F223 PolarHBondContact O-N 3.49Å
165I98.6Very high96.9Very high91 Ų9146.5 Ų46.547%0.46725%0.251SS..EExtended strand (participates in β ladder)trans-96.2124.1164.8-60.5172.7000107.8I212 A220 L221 H222I165-I212 HydrophobicContact CD1-CD1 4.39Å; I165-I212 HydrophobicContact CG1-CD1 4.37Å; I165-I212 HydrophobicContact CG2-CD1 3.68Å; I165-A220 HydrophobicContact CG2-CB 4.38Å; I165-L221 WeakPolarHBondContact CA-O 3.2Å; I165-H222 HydrophobicContact CG1-CB 4.29Å
166I98.2Very high96.8Very high11 Ų1149.7 Ų49.76%0.05627%0.266CS..EExtended strand (participates in β ladder)trans-133.9133.4179.9-172.6167.8000109.9R164 D170 F171 A220 L221 F223R164-I166 HydrophobicContact CG-CB 4.42Å; I166-D170 HydrophobicContact CD1-CB 4.31Å; I166-D170 HydrophobicContact CG1-CB 3.96Å; I166-F171 HydrophobicContact CD1-CB 4.03Å; I166-F171 HydrophobicContact CG1-CB 4.18Å; I166-F171 HydrophobicContact CG2-CB 4.1Å; I166-F171 HydrophobicContact CG2-CD2 4.26Å; I166-A220 CarbonylContact O-C 3.58Å; I166-A220 VanDerWaalsContact O-CA 3.23Å; I166-A220 WeakPolarHBondContact O-CA 3.4Å; I166-A220 VanDerWaalsContact O-CB 3.24Å; I166-A220 WeakPolarHBondContact O-CB 3.41Å; I166-L221 HydrophobicContact CG2-CB 4.04Å; I166-L221 PolarHBondContact N-O 3.35Å; I166-L221 PolarHBondContact O-N 3.13Å; I166-F223 HydrophobicContact CG2-CD2 4.4Å; I166-F223 HydrophobicContact CG2-CE2 4.11Å
167A97.7Very high96.8Very high40 Ų4049.2 Ų49.233%0.33126%0.264SS..EExtended strand (participates in β ladder)trans-60.614517400000109.8D169 D170 F171A167-D169 PolarHBondContact O-N 3.39Å; A167-D170 HydrophobicContact CB-CB 4.36Å; A167-D170 WeakPolarHBondContact CB-OD2 3.38Å; A167-D170 PolarHBondContact O-N 2.84Å; A167-F171 PolarHBondContact O-N 3.28Å
168L97.3Very high96.4Very high19 Ų1952.4 Ų52.410%0.09928%0.283CS..Hα-helixtrans-61.7-35-175.5-176.761.6000111.6K172 F184 L187 V218 V219 L221L168-K172 WeakPolarHBondContact O-CB 3.28Å; L168-K172 WeakPolarHBondContact O-CG 3.29Å; L168-K172 PolarHBondContact O-N 3.4Å; L168-F184 HydrophobicContact CD1-CD2 3.98Å; L168-F184 HydrophobicContact CD1-CE2 3.97Å; L168-F184 HydrophobicContact CD2-CD2 3.84Å; L168-L187 HydrophobicContact CD1-CD2 3.79Å; L168-V218 HydrophobicContact CD2-CG1 4.41Å; L168-V218 WeakPolarHBondContact CD2-O 3.42Å; L168-V219 PolarHBondContact N-O 3.35Å; L168-L221 HydrophobicContact CD1-CD1 4.42Å; L168-L221 HydrophobicContact CD1-CG 4.39Å
169D95.3Very high96.1Very high120 Ų12054.5 Ų54.564%0.64232%0.315SS*.Hα-helixtrans-70.7-41.5178.5-65.8-25.2000111.5A167 F171 K172 S173A167-D169 PolarHBondContact O-N 3.39Å; D169-F171 PolarHBondContact O-N 3.17Å; D169-K172 PolarHBondContact O-N 3.47Å; D169-S173 VanDerWaalsContact O-CB 3.3Å; D169-S173 WeakPolarHBondContact O-CB 3.38Å; D169-S173 PolarHBondContact O-N 3.12Å
170D96Very high96Very high96 Ų9654 Ų5451%0.51332%0.316SS..Hα-helixtrans-64.8-40.6174.9-61.1-25.9000111.7I166 A167 S173 S174I166-D170 HydrophobicContact CD1-CB 4.31Å; I166-D170 HydrophobicContact CG1-CB 3.96Å; A167-D170 HydrophobicContact CB-CB 4.36Å; A167-D170 WeakPolarHBondContact CB-OD2 3.38Å; A167-D170 PolarHBondContact O-N 2.84Å; D170-S173 PolarHBondContact O-N 2.72Å; D170-S174 WeakPolarHBondContact O-CB 3.47Å; D170-S174 PolarHBondContact O-N 3.08Å; D170-S174 PolarHBondContact O-OG 3.11Å
171F97.6Very high96Very high2 Ų251.4 Ų51.41%0.00929%0.289CS..Hα-helixtrans-60.9-44.8173.3177.8-96.5000111.6I151 I166 A167 D169 S174 L175 L191 I192 L221 F223I151-F171 HydrophobicContact CD1-CE2 4.31Å; I151-F171 HydrophobicContact CD1-CZ 4.04Å; I151-F171 HydrophobicContact CG1-CE2 4.06Å; I151-F171 HydrophobicContact CG1-CZ 4.25Å; I166-F171 HydrophobicContact CD1-CB 4.03Å; I166-F171 HydrophobicContact CG1-CB 4.18Å; I166-F171 HydrophobicContact CG2-CB 4.1Å; I166-F171 HydrophobicContact CG2-CD2 4.26Å; A167-F171 PolarHBondContact O-N 3.28Å; D169-F171 PolarHBondContact O-N 3.17Å; F171-S174 PolarHBondContact O-OG 3.1Å; F171-L175 HydrophobicContact CD1-CD1 4.43Å; F171-L175 HydrophobicContact CE1-CD1 3.83Å; F171-L175 HydrophobicContact CE2-CD1 3.94Å; F171-L175 HydrophobicContact CZ-CD1 3.56Å; F171-L175 WeakPolarHBondContact O-CG 3.32Å; F171-L191 HydrophobicContact CE1-CD2 4.23Å; F171-L191 HydrophobicContact CZ-CD2 4.15Å; F171-I192 HydrophobicContact CE1-CD1 4.18Å; F171-I192 HydrophobicContact CE1-CG1 3.93Å; F171-I192 HydrophobicContact CZ-CG1 4.12Å; F171-L221 HydrophobicContact CB-CD1 4.33Å; F171-L221 HydrophobicContact CD1-CD1 3.72Å; F171-L221 HydrophobicContact CD2-CD1 3.96Å; F171-L221 HydrophobicContact CE1-CD1 3.96Å; F171-L221 HydrophobicContact CE2-CD1 4.17Å; F171-L221 HydrophobicContact CG-CD1 3.72Å; F171-L221 HydrophobicContact CZ-CD1 4.17Å; F171-F223 HydrophobicContact CD2-CE2 4.43Å; F171-F223 HydrophobicContact CE2-CE2 4.31Å; F171-F223 HydrophobicContact CE2-CZ 4.06Å
172K97.1Very high95.7Very high31 Ų3157.2 Ų57.214%0.13531%0.307CS..Hα-helixtrans-64.6-42.7176-80.2-175.5169.6-161.70111.5L168 D169 L175 M176 L177 K180 Y181 L187L168-K172 WeakPolarHBondContact O-CB 3.28Å; L168-K172 WeakPolarHBondContact O-CG 3.29Å; L168-K172 PolarHBondContact O-N 3.4Å; D169-K172 PolarHBondContact O-N 3.47Å; K172-L175 CarbonylContact O-C 3.56Å; K172-L175 PolarHBondContact O-N 2.88Å; K172-M176 PolarHBondContact O-N 3.27Å; K172-L177 HydrophobicContact CB-CB 4.09Å; K172-L177 HydrophobicContact CG-CB 4.2Å; K172-L177 WeakPolarHBondContact O-CB 3.34Å; K172-L177 PolarHBondContact O-N 2.81Å; K172-K180 PolarHBondContact NZ-O 3.17Å; K172-Y181 PolarHBondContact NZ-O 3.35Å; K172-L187 HydrophobicContact CG-CD2 4.34Å
173S95.9Very high95.6Very high6 Ų659.7 Ų59.74%0.04232%0.317CS..Hα-helixtrans-71.3-41.5-173.7-157.60000112.5S18 K89 D169 D170 L175 M176 D178S18-S173 WeakPolarHBondContact CB-O 3.4Å; S18-S173 VanDerWaalsContact OG-C 3.26Å; S18-S173 PolarHBondContact OG-O 2.77Å; S18-S173 PolarHBondContact OG-OG 3.34Å; K89-S173 WeakPolarHBondContact CE-OG 3.16Å; K89-S173 PolarHBondContact NZ-OG 3.28Å; D169-S173 VanDerWaalsContact O-CB 3.3Å; D169-S173 WeakPolarHBondContact O-CB 3.38Å; D169-S173 PolarHBondContact O-N 3.12Å; D170-S173 PolarHBondContact O-N 2.72Å; S173-L175 PolarHBondContact O-N 3.07Å; S173-L175 VanDerWaalsContact O-N 3.15Å; S173-M176 PolarHBondContact O-N 3.3Å; S173-D178 PolarHBondContact OG-OD2 3.34Å
174S96.8Very high95.5Very high7 Ų757.3 Ų57.35%0.04931%0.305CS..Hα-helixtrans-59.7-24.9174.458.20000113.2E16 R150 D170 F171E16-S174 WeakPolarHBondContact O-CB 3.46Å; R150-S174 PolarHBondContact NH2-O 2.8Å; D170-S174 WeakPolarHBondContact O-CB 3.47Å; D170-S174 PolarHBondContact O-N 3.08Å; D170-S174 PolarHBondContact O-OG 3.11Å; F171-S174 PolarHBondContact O-OG 3.1Å
175L97.6Very high95.5Very high1 Ų162.7 Ų62.71%0.00533%0.329CS..THydrogen-bonded Turntrans-99.75.3177.3-59.2-175.1000114Y147 R150 I151 I154 F171 K172 S173 L177 L191Y147-L175 HydrophobicContact CD1-CB 4.22Å; Y147-L175 HydrophobicContact CD1-CD1 4.23Å; Y147-L175 HydrophobicContact CD1-CD2 4.25Å; Y147-L175 HydrophobicContact CD1-CG 4.48Å; Y147-L175 HydrophobicContact CE1-CB 4.17Å; R150-L175 HydrophobicContact CB-CD2 3.4Å; R150-L175 HydrophobicContact CG-CD2 3.98Å; I151-L175 HydrophobicContact CG1-CD1 4.49Å; I154-L175 HydrophobicContact CD1-CD2 4.45Å; F171-L175 HydrophobicContact CD1-CD1 4.43Å; F171-L175 HydrophobicContact CE1-CD1 3.83Å; F171-L175 HydrophobicContact CE2-CD1 3.94Å; F171-L175 HydrophobicContact CZ-CD1 3.56Å; F171-L175 WeakPolarHBondContact O-CG 3.32Å; K172-L175 CarbonylContact O-C 3.56Å; K172-L175 PolarHBondContact O-N 2.88Å; S173-L175 PolarHBondContact O-N 3.07Å; S173-L175 VanDerWaalsContact O-N 3.15Å; L175-L177 VanDerWaalsContact C-N 3.3Å; L175-L177 HydrophobicContact CB-CD1 3.82Å; L175-L177 HydrophobicContact CB-CG 3.75Å; L175-L177 HydrophobicContact CD1-CD1 4.05Å; L175-L177 PolarHBondContact O-N 3.43Å; L175-L191 HydrophobicContact CD1-CD2 4.34Å
176M96Very high95.4Very high68 Ų6860 Ų6034%0.33532%0.317SS..THydrogen-bonded Turntrans48.948.4-172.6-59.9-16882.400113.3K20 I87 K172 S173K20-M176 HydrophobicContact CB-CB 4.21Å; K20-M176 HydrophobicContact CB-CG 4.34Å; K20-M176 HydrophobicContact CB-SD 3.88Å; K20-M176 PolarHBondContact N-SD 3.03Å; K20-M176 VanDerWaalsContact N-SD 3.44Å; I87-M176 HydrophobicContact CD1-CE 4.09Å; K172-M176 PolarHBondContact O-N 3.27Å; S173-M176 PolarHBondContact O-N 3.3Å
177L96.5Very high95.4Very high0 Ų059.5 Ų59.50%032%0.315CS..  trans-101.210.9176.8-59.2178.4000112.7Y147 K172 L175 G179 K180 Y181 L187 L191Y147-L177 HydrophobicContact CE1-CD2 4.04Å; Y147-L177 WeakPolarHBondContact OH-CD2 3.32Å; K172-L177 HydrophobicContact CB-CB 4.09Å; K172-L177 HydrophobicContact CG-CB 4.2Å; K172-L177 WeakPolarHBondContact O-CB 3.34Å; K172-L177 PolarHBondContact O-N 2.81Å; L175-L177 VanDerWaalsContact C-N 3.3Å; L175-L177 HydrophobicContact CB-CD1 3.82Å; L175-L177 HydrophobicContact CB-CG 3.75Å; L175-L177 HydrophobicContact CD1-CD1 4.05Å; L175-L177 PolarHBondContact O-N 3.43Å; L177-G179 PolarHBondContact O-N 3.23Å; L177-K180 HydrophobicContact CD2-CD 4.27Å; L177-K180 WeakPolarHBondContact O-CA 3.43Å; L177-K180 WeakPolarHBondContact O-CB 3.25Å; L177-K180 PolarHBondContact O-N 3.06Å; L177-Y181 HydrophobicContact CD1-CD2 4.47Å; L177-Y181 HydrophobicContact CD1-CE2 4.35Å; L177-Y181 HydrophobicContact CD2-CD2 4.39Å; L177-Y181 HydrophobicContact CD2-CE2 3.91Å; L177-L187 HydrophobicContact CD1-CD1 4.02Å; L177-L191 HydrophobicContact CD1-CD1 3.53Å; L177-L191 HydrophobicContact CD2-CD1 4.15Å; L177-L191 HydrophobicContact CG-CD1 4.48Å
178D88.9Confident95.5Very high99 Ų9960.1 Ų60.153%0.52931%0.313SS..THydrogen-bonded Turntrans-54.8132.3174.7-59.1-66.1000110.5S173 K180S173-D178 PolarHBondContact OG-OD2 3.34Å; D178-K180 PolarHBondContact O-N 3.06Å; D178-K180 VanDerWaalsContact O-N 3.12Å
179G89.2Confident95.5Very high85 Ų8565.9 Ų65.988%0.87633%0.333SS*.THydrogen-bonded Turntrans71-5.1-173.600000115.7L177L177-G179 PolarHBondContact O-N 3.23Å
180K92.7Very high95.6Very high95 Ų9563 Ų6341%0.41332%0.318SS..  trans-97.8155.8174.9-62-178.7-179.1166.60111.5K172 L177 D178K172-K180 PolarHBondContact NZ-O 3.17Å; L177-K180 HydrophobicContact CD2-CD 4.27Å; L177-K180 WeakPolarHBondContact O-CA 3.43Å; L177-K180 WeakPolarHBondContact O-CB 3.25Å; L177-K180 PolarHBondContact O-N 3.06Å; D178-K180 PolarHBondContact O-N 3.06Å; D178-K180 VanDerWaalsContact O-N 3.12Å
181Y94.1Very high95.8Very high62 Ų6258.5 Ų58.524%0.24329%0.293CS..  trans52.276.5-178.8-54.5-80000111.6K172 L177 D183 T186 L187 D190 L191K172-Y181 PolarHBondContact NZ-O 3.35Å; L177-Y181 HydrophobicContact CD1-CD2 4.47Å; L177-Y181 HydrophobicContact CD1-CE2 4.35Å; L177-Y181 HydrophobicContact CD2-CD2 4.39Å; L177-Y181 HydrophobicContact CD2-CE2 3.91Å; Y181-D183 PolarHBondContact O-N 2.76Å; Y181-D183 VanDerWaalsContact O-N 3.13Å; Y181-T186 HydrophobicContact CD1-CG2 3.82Å; Y181-T186 HydrophobicContact CE1-CG2 4.39Å; Y181-L187 HydrophobicContact CD1-CB 4.37Å; Y181-L187 HydrophobicContact CD1-CD1 4.43Å; Y181-L187 HydrophobicContact CD2-CD1 3.53Å; Y181-L187 HydrophobicContact CE2-CD1 4.02Å; Y181-L187 HydrophobicContact CG-CB 4.04Å; Y181-L187 HydrophobicContact CG-CD1 3.76Å; Y181-D190 HydrophobicContact CE1-CB 4.01Å; Y181-L191 HydrophobicContact CE2-CD1 3.88Å
182K90.7Very high95.8Very high209 Ų20958.4 Ų58.491%0.90929%0.293SS*.SBendtrans-54.1-33.2-175.8-67.5-173.6178.5-177.40112.6
183D94.2Very high95.9Very high69 Ų6962.6 Ų62.637%0.36931%0.311SS..SBendtrans-119.4150.9176.970.394.9000111.8Y181 K185 T186 L187Y181-D183 PolarHBondContact O-N 2.76Å; Y181-D183 VanDerWaalsContact O-N 3.13Å; D183-K185 VanDerWaalsContact C-N 3.28Å; D183-K185 PolarHBondContact O-N 2.7Å; D183-K185 WeakPolarHBondContact OD1-CA 3.44Å; D183-K185 VanDerWaalsContact OD1-CB 3.26Å; D183-K185 WeakPolarHBondContact OD1-CB 3.42Å; D183-K185 PolarHBondContact OD1-N 2.69Å; D183-K185 VanDerWaalsContact OD1-N 3.08Å; D183-T186 VanDerWaalsContact CG-OG1 3.24Å; D183-T186 PolarHBondContact O-N 2.79Å; D183-T186 PolarHBondContact OD1-N 3.2Å; D183-T186 PolarHBondContact OD1-OG1 2.97Å; D183-T186 WeakPolarHBondContact OD2-CB 3.38Å; D183-T186 PolarHBondContact OD2-OG1 2.97Å; D183-L187 PolarHBondContact O-N 2.96Å
184F97.1Very high96Very high46 Ų4663.6 Ų63.620%0.20232%0.317CS..Hα-helixtrans-65.1-30.8179.4-179.8-97.3000112.7L168 T186 L187 N188 I192 T211 V218 L221L168-F184 HydrophobicContact CD1-CD2 3.98Å; L168-F184 HydrophobicContact CD1-CE2 3.97Å; L168-F184 HydrophobicContact CD2-CD2 3.84Å; F184-T186 VanDerWaalsContact C-N 3.35Å; F184-T186 PolarHBondContact O-N 2.74Å; F184-L187 HydrophobicContact CD2-CD2 4.3Å; F184-L187 PolarHBondContact O-N 2.77Å; F184-N188 HydrophobicContact CD1-CB 4.28Å; F184-N188 HydrophobicContact CE1-CB 3.8Å; F184-N188 HydrophobicContact CZ-CB 3.99Å; F184-N188 VanDerWaalsContact O-CB 3.24Å; F184-N188 WeakPolarHBondContact O-CB 3.36Å; F184-N188 PolarHBondContact O-N 2.96Å; F184-I192 HydrophobicContact CE2-CD1 3.93Å; F184-I192 HydrophobicContact CZ-CD1 4.28Å; F184-T211 HydrophobicContact CE1-CG2 3.53Å; F184-T211 HydrophobicContact CE2-CG2 4.47Å; F184-T211 HydrophobicContact CZ-CG2 3.43Å; F184-T211 VanDerWaalsContact CZ-CG2 3.43Å; F184-V218 HydrophobicContact CD1-CB 4.24Å; F184-V218 HydrophobicContact CD1-CG1 4.47Å; F184-V218 HydrophobicContact CD1-CG2 3.75Å; F184-V218 HydrophobicContact CD2-CB 4.11Å; F184-V218 HydrophobicContact CD2-CG1 3.91Å; F184-V218 HydrophobicContact CE1-CG1 4.33Å; F184-V218 HydrophobicContact CE1-CG2 3.99Å; F184-V218 HydrophobicContact CE2-CB 4.4Å; F184-V218 HydrophobicContact CE2-CG1 3.75Å; F184-V218 HydrophobicContact CG-CB 4.03Å; F184-V218 HydrophobicContact CG-CG1 4.28Å; F184-V218 HydrophobicContact CG-CG2 4.04Å; F184-V218 HydrophobicContact CZ-CG1 3.98Å; F184-V218 HydrophobicContact CZ-CG2 4.47Å; F184-L221 HydrophobicContact CE2-CD2 3.86Å; F184-L221 HydrophobicContact CZ-CD2 3.93Å
185K97.3Very high96.1Very high159 Ų15963.2 Ų63.269%0.69132%0.315SS*.Hα-helixtrans-63.2-43.4-178.4178.4-174.4178.6-177.60110.6D183 N188 R189D183-K185 VanDerWaalsContact C-N 3.28Å; D183-K185 PolarHBondContact O-N 2.7Å; D183-K185 WeakPolarHBondContact OD1-CA 3.44Å; D183-K185 VanDerWaalsContact OD1-CB 3.26Å; D183-K185 WeakPolarHBondContact OD1-CB 3.42Å; D183-K185 PolarHBondContact OD1-N 2.69Å; D183-K185 VanDerWaalsContact OD1-N 3.08Å; K185-N188 PolarHBondContact O-N 3.34Å; K185-R189 VanDerWaalsContact O-CB 3.29Å; K185-R189 WeakPolarHBondContact O-CB 3.5Å; K185-R189 PolarHBondContact O-N 3.48Å
186T97.9Very high96.2Very high35 Ų3563.7 Ų63.722%0.21532%0.318CS..Hα-helixtrans-66.3-46.1175.1-560000111.1Y181 D183 F184 N188 R189 D190Y181-T186 HydrophobicContact CD1-CG2 3.82Å; Y181-T186 HydrophobicContact CE1-CG2 4.39Å; D183-T186 VanDerWaalsContact CG-OG1 3.24Å; D183-T186 PolarHBondContact O-N 2.79Å; D183-T186 PolarHBondContact OD1-N 3.2Å; D183-T186 PolarHBondContact OD1-OG1 2.97Å; D183-T186 WeakPolarHBondContact OD2-CB 3.38Å; D183-T186 PolarHBondContact OD2-OG1 2.97Å; F184-T186 VanDerWaalsContact C-N 3.35Å; F184-T186 PolarHBondContact O-N 2.74Å; T186-N188 VanDerWaalsContact C-N 3.3Å; T186-N188 PolarHBondContact O-N 2.88Å; T186-R189 PolarHBondContact O-N 3.16Å; T186-D190 VanDerWaalsContact CG2-OD2 3.24Å; T186-D190 WeakPolarHBondContact CG2-OD2 3.23Å; T186-D190 WeakPolarHBondContact O-CB 3.38Å; T186-D190 PolarHBondContact O-N 3.3Å
187L98.3Very high96.3Very high0 Ų063.5 Ų63.50%032%0.318CS..Hα-helixtrans-55.9-46.5175.118066000111.6L168 K172 L177 Y181 D183 F184 L191 I192L168-L187 HydrophobicContact CD1-CD2 3.79Å; K172-L187 HydrophobicContact CG-CD2 4.34Å; L177-L187 HydrophobicContact CD1-CD1 4.02Å; Y181-L187 HydrophobicContact CD1-CB 4.37Å; Y181-L187 HydrophobicContact CD1-CD1 4.43Å; Y181-L187 HydrophobicContact CD2-CD1 3.53Å; Y181-L187 HydrophobicContact CE2-CD1 4.02Å; Y181-L187 HydrophobicContact CG-CB 4.04Å; Y181-L187 HydrophobicContact CG-CD1 3.76Å; D183-L187 PolarHBondContact O-N 2.96Å; F184-L187 HydrophobicContact CD2-CD2 4.3Å; F184-L187 PolarHBondContact O-N 2.77Å; L187-L191 HydrophobicContact CD1-CB 4.18Å; L187-L191 HydrophobicContact CD1-CD1 4.36Å; L187-L191 WeakPolarHBondContact O-CB 3.42Å; L187-L191 PolarHBondContact O-N 3.36Å; L187-I192 HydrophobicContact CD2-CD1 3.92Å; L187-I192 HydrophobicContact CG-CD1 3.85Å; L187-I192 HydrophobicContact CG-CG1 4.16Å; L187-I192 PolarHBondContact O-N 3.1Å; L187-I192 VanDerWaalsContact O-N 3.11Å
188N98.5Very high96.3Very high54 Ų5464.2 Ų64.229%0.28932%0.321SS..Iπ-helixtrans-67.3-45.6-177.4-172.250.7000111.9F184 K185 T186 K193F184-N188 HydrophobicContact CD1-CB 4.28Å; F184-N188 HydrophobicContact CE1-CB 3.8Å; F184-N188 HydrophobicContact CZ-CB 3.99Å; F184-N188 VanDerWaalsContact O-CB 3.24Å; F184-N188 WeakPolarHBondContact O-CB 3.36Å; F184-N188 PolarHBondContact O-N 2.96Å; K185-N188 PolarHBondContact O-N 3.34Å; T186-N188 VanDerWaalsContact C-N 3.3Å; T186-N188 PolarHBondContact O-N 2.88Å; N188-K193 VanDerWaalsContact O-CB 3.24Å; N188-K193 WeakPolarHBondContact O-CB 3.31Å; N188-K193 PolarHBondContact O-N 3.39Å
189R98.1Very high96.8Very high139 Ų13959.5 Ų59.553%0.52530%0.296SS..Iπ-helixtrans-65.9-43.6-179.5-176.3-169.666-148.6-11112.4K185 T186 P194K185-R189 VanDerWaalsContact O-CB 3.29Å; K185-R189 WeakPolarHBondContact O-CB 3.5Å; K185-R189 PolarHBondContact O-N 3.48Å; T186-R189 PolarHBondContact O-N 3.16Å; R189-P194 WeakPolarHBondContact O-CD 3.07Å; R189-P194 WeakPolarHBondContact O-CG 3.21Å
190D98.1Very high97.2Very high60 Ų6057.5 Ų57.532%0.32127%0.266SS..Iπ-helixtrans-96.4-24-166.6-61.2-18.5000113.1R145 Y181 T186R145-D190 PolarHBondContact NH1-O 3.17Å; Y181-D190 HydrophobicContact CE1-CB 4.01Å; T186-D190 VanDerWaalsContact CG2-OD2 3.24Å; T186-D190 WeakPolarHBondContact CG2-OD2 3.23Å; T186-D190 WeakPolarHBondContact O-CB 3.38Å; T186-D190 PolarHBondContact O-N 3.3Å
191L98.5Very high97.3Very high1 Ų159.2 Ų59.21%0.00527%0.273CS..Iπ-helixtrans-121.5-64.3-176.3-168.9151.9000112.9Y147 I151 F171 L175 L177 Y181 L187 P194 C195Y147-L191 HydrophobicContact CD1-CD1 4.37Å; Y147-L191 HydrophobicContact CD2-CD1 3.63Å; Y147-L191 HydrophobicContact CD2-CG 4.13Å; Y147-L191 HydrophobicContact CE2-CD1 3.77Å; Y147-L191 HydrophobicContact CG-CD1 3.95Å; Y147-L191 HydrophobicContact CG-CG 4.34Å; I151-L191 HydrophobicContact CD1-CD2 4.34Å; F171-L191 HydrophobicContact CE1-CD2 4.23Å; F171-L191 HydrophobicContact CZ-CD2 4.15Å; L175-L191 HydrophobicContact CD1-CD2 4.34Å; L177-L191 HydrophobicContact CD1-CD1 3.53Å; L177-L191 HydrophobicContact CD2-CD1 4.15Å; L177-L191 HydrophobicContact CG-CD1 4.48Å; Y181-L191 HydrophobicContact CE2-CD1 3.88Å; L187-L191 HydrophobicContact CD1-CB 4.18Å; L187-L191 HydrophobicContact CD1-CD1 4.36Å; L187-L191 WeakPolarHBondContact O-CB 3.42Å; L187-L191 PolarHBondContact O-N 3.36Å; L191-P194 WeakPolarHBondContact O-CD 3.48Å; L191-C195 WeakPolarHBondContact O-CB 3.29Å; L191-C195 PolarHBondContact O-N 3.19Å; L191-C195 PolarHBondContact O-SG 3.12Å
192I98.7Very high97.4Very high0 Ų059.5 Ų59.50%028%0.275CS..Iπ-helixtrans-63.7-56-168.2-60169.1000110.9F171 F184 L187 C195 V196 V209 L221F171-I192 HydrophobicContact CE1-CD1 4.18Å; F171-I192 HydrophobicContact CE1-CG1 3.93Å; F171-I192 HydrophobicContact CZ-CG1 4.12Å; F184-I192 HydrophobicContact CE2-CD1 3.93Å; F184-I192 HydrophobicContact CZ-CD1 4.28Å; L187-I192 HydrophobicContact CD2-CD1 3.92Å; L187-I192 HydrophobicContact CG-CD1 3.85Å; L187-I192 HydrophobicContact CG-CG1 4.16Å; L187-I192 PolarHBondContact O-N 3.1Å; L187-I192 VanDerWaalsContact O-N 3.11Å; I192-C195 PolarHBondContact O-N 2.9Å; I192-V196 HydrophobicContact CG2-CG2 4.37Å; I192-V196 WeakPolarHBondContact O-CG2 3.25Å; I192-V196 PolarHBondContact O-N 2.94Å; I192-V209 HydrophobicContact CG2-CG1 3.89Å; I192-V209 HydrophobicContact CG2-CG2 4.25Å; I192-L221 HydrophobicContact CD1-CD1 3.7Å; I192-L221 HydrophobicContact CD1-CD2 4.03Å; I192-L221 HydrophobicContact CG1-CD1 4.47Å
193K98.5Very high97.7Very high120 Ų12050 Ų5052%0.52224%0.236SC..Hα-helixtrans-61.2-48.2-178179.5176.7-178.1176.60111.9N188 C195 V196 D197N188-K193 VanDerWaalsContact O-CB 3.24Å; N188-K193 WeakPolarHBondContact O-CB 3.31Å; N188-K193 PolarHBondContact O-N 3.39Å; K193-C195 VanDerWaalsContact C-N 3.32Å; K193-C195 PolarHBondContact O-N 2.83Å; K193-V196 PolarHBondContact O-N 2.78Å; K193-D197 WeakPolarHBondContact O-CB 3.2Å; K193-D197 PolarHBondContact O-N 2.9Å
194P98.6Very high97.8Very high26 Ų2647.9 Ų47.917%0.16922%0.224CC..Hα-helixtrans-60.7-35.2176-28.237.3000114.7R145 R189 L191 E198R145-P194 VanDerWaalsContact CZ-CB 3.4Å; R189-P194 WeakPolarHBondContact O-CD 3.07Å; R189-P194 WeakPolarHBondContact O-CG 3.21Å; L191-P194 WeakPolarHBondContact O-CD 3.48Å; P194-E198 WeakPolarHBondContact O-CB 3.4Å; P194-E198 PolarHBondContact O-N 2.7Å
195C98.7Very high97.7Very high0 Ų045.7 Ų45.70%022%0.215CC..Hα-helixtrans-71.5-43.5176.6-63.90000111.2S148 I151 L191 I192 K193 D197 E198 L199S148-C195 WeakPolarHBondContact OG-CA 3.37Å; S148-C195 WeakPolarHBondContact OG-CB 3.47Å; I151-C195 HydrophobicContact CD1-CB 3.59Å; L191-C195 WeakPolarHBondContact O-CB 3.29Å; L191-C195 PolarHBondContact O-N 3.19Å; L191-C195 PolarHBondContact O-SG 3.12Å; I192-C195 PolarHBondContact O-N 2.9Å; K193-C195 VanDerWaalsContact C-N 3.32Å; K193-C195 PolarHBondContact O-N 2.83Å; C195-D197 VanDerWaalsContact C-N 3.33Å; C195-D197 PolarHBondContact O-N 3.24Å; C195-E198 PolarHBondContact O-N 2.75Å; C195-L199 WeakPolarHBondContact O-CG 3.23Å; C195-L199 PolarHBondContact O-N 2.78Å
196V98.7Very high97.8Very high10 Ų1039.2 Ų39.26%0.06119%0.191CC..Hα-helixtrans-61.1-42.8174.4169.90000111I192 K193 E198 L199 N200 V207 V209 F223I192-V196 HydrophobicContact CG2-CG2 4.37Å; I192-V196 WeakPolarHBondContact O-CG2 3.25Å; I192-V196 PolarHBondContact O-N 2.94Å; K193-V196 PolarHBondContact O-N 2.78Å; V196-E198 VanDerWaalsContact C-N 3.31Å; V196-E198 PolarHBondContact O-N 3.19Å; V196-L199 PolarHBondContact O-N 2.69Å; V196-N200 WeakPolarHBondContact CG1-ND2 3.24Å; V196-N200 WeakPolarHBondContact O-CB 3.3Å; V196-N200 PolarHBondContact O-N 3.13Å; V196-N200 PolarHBondContact O-ND2 3.07Å; V196-V207 HydrophobicContact CG1-CB 4.26Å; V196-V207 HydrophobicContact CG1-CG1 4.2Å; V196-V207 HydrophobicContact CG2-CG1 4.31Å; V196-V209 HydrophobicContact CG2-CB 4.33Å; V196-V209 HydrophobicContact CG2-CG1 3.94Å; V196-F223 HydrophobicContact CG2-CE1 4.02Å
197D98.4Very high97.8Very high65 Ų6537.8 Ų37.835%0.34818%0.182SC..Hα-helixtrans-62.4-38.4175.4-70.9-16.5000111.6K193 C195 K201K193-D197 WeakPolarHBondContact O-CB 3.2Å; K193-D197 PolarHBondContact O-N 2.9Å; C195-D197 VanDerWaalsContact C-N 3.33Å; C195-D197 PolarHBondContact O-N 3.24Å; D197-K201 WeakPolarHBondContact O-CB 3.44Å; D197-K201 WeakPolarHBondContact O-CD 3.27Å; D197-K201 VanDerWaalsContact O-CG 3.24Å; D197-K201 WeakPolarHBondContact O-CG 3.28Å; D197-K201 PolarHBondContact O-N 2.96Å
198E98.1Very high97.8Very high14 Ų1441.5 Ų41.57%0.06521%0.205CC..Hα-helixtrans-68.9-45.2176.6-172.4176.2-13800112.1L143 S144 R145 S148 P194 C195 V196 N200 K201 K202L143-E198 HydrophobicContact CD2-CG 3.84Å; S144-E198 WeakPolarHBondContact CA-OE1 3.42Å; S144-E198 WeakPolarHBondContact CB-OE1 3.39Å; S144-E198 PolarHBondContact N-OE1 3.24Å; S144-E198 PolarHBondContact OG-OE1 3.12Å; R145-E198 VanDerWaalsContact CB-OE2 3.25Å; R145-E198 WeakPolarHBondContact CB-OE2 3.49Å; R145-E198 WeakPolarHBondContact CD-OE2 3.45Å; R145-E198 VanDerWaalsContact CG-OE2 3.3Å; R145-E198 WeakPolarHBondContact CG-OE2 3.39Å; R145-E198 PolarHBondContact N-OE2 2.93Å; S148-E198 WeakPolarHBondContact CB-OE2 3.47Å; S148-E198 PolarHBondContact OG-OE2 2.97Å; P194-E198 WeakPolarHBondContact O-CB 3.4Å; P194-E198 PolarHBondContact O-N 2.7Å; C195-E198 PolarHBondContact O-N 2.75Å; V196-E198 VanDerWaalsContact C-N 3.31Å; V196-E198 PolarHBondContact O-N 3.19Å; E198-N200 VanDerWaalsContact C-N 3.31Å; E198-N200 PolarHBondContact O-N 2.61Å; E198-K201 PolarHBondContact O-N 3.45Å; E198-K202 HydrophobicContact CG-CD 4.12Å; E198-K202 HydrophobicContact CG-CG 4.45Å; E198-K202 WeakPolarHBondContact O-CB 3.32Å; E198-K202 PolarHBondContact O-N 3.25Å; E198-K202 IonicContact OE1-NZ 2.84Å
199L98Very high97.8Very high0 Ų041 Ų410%020%0.203CC..Hα-helixtrans-57.4-46.7175.5-68.9-179.9000110.9L143 I151 Y152 L155 C195 V196 K201 S203 V207L143-L199 HydrophobicContact CD1-CD2 3.75Å; L143-L199 HydrophobicContact CD2-CD2 4.03Å; I151-L199 HydrophobicContact CB-CD1 4.34Å; I151-L199 HydrophobicContact CG2-CD1 3.78Å; Y152-L199 HydrophobicContact CD2-CD2 4.06Å; L155-L199 HydrophobicContact CD1-CD1 4.26Å; C195-L199 WeakPolarHBondContact O-CG 3.23Å; C195-L199 PolarHBondContact O-N 2.78Å; V196-L199 PolarHBondContact O-N 2.69Å; L199-K201 PolarHBondContact O-N 3.11Å; L199-S203 WeakPolarHBondContact O-CB 3.24Å; L199-S203 PolarHBondContact O-N 2.91Å; L199-S203 PolarHBondContact O-OG 2.87Å; L199-V207 HydrophobicContact CB-CG2 4.19Å; L199-V207 HydrophobicContact CD1-CG2 4.37Å
200N97.4Very high97.8Very high44 Ų4438.9 Ų38.924%0.23520%0.199CC..Hα-helixtrans-62.7-20.2176.5-82.5-60.4000114.2V196 E198 A206 V207 K232V196-N200 WeakPolarHBondContact CG1-ND2 3.24Å; V196-N200 WeakPolarHBondContact O-CB 3.3Å; V196-N200 PolarHBondContact O-N 3.13Å; V196-N200 PolarHBondContact O-ND2 3.07Å; E198-N200 VanDerWaalsContact C-N 3.31Å; E198-N200 PolarHBondContact O-N 2.61Å; N200-A206 WeakPolarHBondContact OD1-CA 3.34Å; N200-V207 PolarHBondContact ND2-O 3.35Å; N200-V207 PolarHBondContact OD1-N 3.34Å; N200-V207 PolarHBondContact OD1-O 3.17Å; N200-K232 WeakPolarHBondContact O-CD 3.39Å; N200-K232 WeakPolarHBondContact O-CE 3.21Å; N200-K232 PolarHBondContact O-NZ 3.12Å
201K96.3Very high97.8Very high131 Ų13138.7 Ų38.757%0.5720%0.201SC*.Hα-helixtrans-101.1-32.5-178.7-73.5171.8-175.5176.60113.1D197 E198 L199 K232D197-K201 WeakPolarHBondContact O-CB 3.44Å; D197-K201 WeakPolarHBondContact O-CD 3.27Å; D197-K201 VanDerWaalsContact O-CG 3.24Å; D197-K201 WeakPolarHBondContact O-CG 3.28Å; D197-K201 PolarHBondContact O-N 2.96Å; E198-K201 PolarHBondContact O-N 3.45Å; L199-K201 PolarHBondContact O-N 3.11Å; K201-K232 VanDerWaalsContact O-CB 3.22Å; K201-K232 WeakPolarHBondContact O-CB 3.29Å
202K95.9Very high97.8Very high67 Ų6741.7 Ų41.729%0.29122%0.216SC..Hα-helixtrans-129.1-2.2-162.5-58.6-167.7-176.5179.90114.8N142 L143 E198N142-K202 HydrophobicContact CB-CB 4.27Å; N142-K202 HydrophobicContact CB-CD 4.49Å; N142-K202 WeakPolarHBondContact O-CD 3.33Å; L143-K202 HydrophobicContact CD2-CB 3.97Å; E198-K202 HydrophobicContact CG-CD 4.12Å; E198-K202 HydrophobicContact CG-CG 4.45Å; E198-K202 WeakPolarHBondContact O-CB 3.32Å; E198-K202 PolarHBondContact O-N 3.25Å; E198-K202 IonicContact OE1-NZ 2.84Å
203S95.9Very high97.8Very high10 Ų1047.8 Ų47.87%0.0724%0.243CC..SBendtrans-113178.4173.477.90000111.8N139 L199 L205N139-S203 WeakPolarHBondContact O-CA 3.31Å; N139-S203 WeakPolarHBondContact O-CB 3.45Å; L199-S203 WeakPolarHBondContact O-CB 3.24Å; L199-S203 PolarHBondContact O-N 2.91Å; L199-S203 PolarHBondContact O-OG 2.87Å; S203-L205 PolarHBondContact O-N 3.19Å; S203-L205 PolarHBondContact OG-N 3.21Å
204D95.9Very high97.8Very high25 Ų2550.1 Ų50.113%0.13425%0.253CS..SBendtrans-81.713.9173.171.5-45000113.6N139 Y152 E227 D228N139-D204 HydrophobicContact CB-CB 4.3Å; N139-D204 VanDerWaalsContact CB-OD1 3.32Å; N139-D204 WeakPolarHBondContact CB-OD1 3.46Å; N139-D204 PolarHBondContact ND2-OD1 2.83Å; N139-D204 PolarHBondContact ND2-OD2 2.87Å; Y152-D204 WeakPolarHBondContact CE2-OD1 3.27Å; Y152-D204 PolarHBondContact OH-OD1 3.29Å; D204-E227 CarbonylContact O-C 3.53Å; D204-E227 WeakPolarHBondContact O-CA 3.38Å; D204-D228 PolarHBondContact O-N 3.41Å
205L97Very high97.7Very high0 Ų052.4 Ų52.40%028%0.281CS..EExtended strand (participates in β ladder)trans-110.4144.6-179.1-59.4-178.6000112.6Y152 L155 S203 V207 F225 K226 K232Y152-L205 HydrophobicContact CD2-CD1 3.71Å; Y152-L205 HydrophobicContact CD2-CG 4.25Å; Y152-L205 HydrophobicContact CE2-CD1 3.74Å; Y152-L205 HydrophobicContact CE2-CG 3.85Å; L155-L205 HydrophobicContact CB-CD1 4.37Å; L155-L205 HydrophobicContact CD1-CD1 4.25Å; S203-L205 PolarHBondContact O-N 3.19Å; S203-L205 PolarHBondContact OG-N 3.21Å; L205-V207 HydrophobicContact CB-CG2 3.58Å; L205-V207 HydrophobicContact CD1-CG2 4.2Å; L205-F225 HydrophobicContact CD1-CD2 4.32Å; L205-F225 HydrophobicContact CD2-CD2 4.14Å; L205-K226 WeakPolarHBondContact CA-O 3.31Å; L205-K232 PolarHBondContact O-NZ 3.24Å
206A97.5Very high97.5Very high23 Ų2364.3 Ų64.319%0.1933%0.326CS..EExtended strand (participates in β ladder)trans-101.4120.3154.300000107.9N200 F225 K226 D228N200-A206 WeakPolarHBondContact OD1-CA 3.34Å; A206-F225 CarbonylContact O-C 3.58Å; A206-F225 WeakPolarHBondContact O-CA 3.44Å; A206-F225 WeakPolarHBondContact O-CB 3.21Å; A206-K226 HydrophobicContact CB-CG 4.13Å; A206-K226 PolarHBondContact N-O 3.24Å; A206-K226 PolarHBondContact O-N 2.87Å; A206-D228 HydrophobicContact CB-CB 4.02Å
207V98.4Very high97.4Very high4 Ų468.2 Ų68.22%0.02435%0.35CS..EExtended strand (participates in β ladder)trans-127.1136-169.8-173.60000110.5L155 V196 L199 N200 L205 F223 F225L155-V207 HydrophobicContact CD1-CG1 3.81Å; L155-V207 HydrophobicContact CD1-CG2 3.96Å; V196-V207 HydrophobicContact CG1-CB 4.26Å; V196-V207 HydrophobicContact CG1-CG1 4.2Å; V196-V207 HydrophobicContact CG2-CG1 4.31Å; L199-V207 HydrophobicContact CB-CG2 4.19Å; L199-V207 HydrophobicContact CD1-CG2 4.37Å; N200-V207 PolarHBondContact ND2-O 3.35Å; N200-V207 PolarHBondContact OD1-N 3.34Å; N200-V207 PolarHBondContact OD1-O 3.17Å; L205-V207 HydrophobicContact CB-CG2 3.58Å; L205-V207 HydrophobicContact CD1-CG2 4.2Å; V207-F223 HydrophobicContact CG1-CD1 4.11Å; V207-F225 HydrophobicContact CB-CB 4.39Å; V207-F225 HydrophobicContact CG1-CB 4.4Å; V207-F225 HydrophobicContact CG2-CB 3.98Å
208T98.5Very high97.4Very high79 Ų7966.1 Ų66.149%0.48534%0.339SS..EExtended strand (participates in β ladder)trans-125.5151.9167.359.90000109.3F223 R224T208-F223 WeakPolarHBondContact O-CA 3.36Å; T208-R224 PolarHBondContact N-O 3.2Å; T208-R224 PolarHBondContact O-N 3.36Å; T208-R224 PolarHBondContact OG1-O 2.8Å
209V98.7Very high97.4Very high42 Ų4268.2 Ų68.226%0.25535%0.353SS..EExtended strand (participates in β ladder)trans-134.5128.7176.964.20000110.2I192 V196 L221 H222 F223I192-V209 HydrophobicContact CG2-CG1 3.89Å; I192-V209 HydrophobicContact CG2-CG2 4.25Å; V196-V209 HydrophobicContact CG2-CB 4.33Å; V196-V209 HydrophobicContact CG2-CG1 3.94Å; V209-L221 HydrophobicContact CG2-CB 4.27Å; V209-L221 HydrophobicContact CG2-CD2 4.12Å; V209-H222 WeakPolarHBondContact CA-O 3.37Å; V209-F223 HydrophobicContact CB-CD1 3.82Å; V209-F223 HydrophobicContact CB-CE1 3.78Å; V209-F223 HydrophobicContact CB-CZ 4.46Å; V209-F223 HydrophobicContact CG2-CD1 3.84Å; V209-F223 HydrophobicContact CG2-CD2 4.39Å; V209-F223 HydrophobicContact CG2-CE1 3.59Å; V209-F223 HydrophobicContact CG2-CE2 4.18Å; V209-F223 HydrophobicContact CG2-CG 4.24Å; V209-F223 HydrophobicContact CG2-CZ 3.78Å
210E98.5Very high97.4Very high95 Ų9568.7 Ų68.744%0.44436%0.357SS..EExtended strand (participates in β ladder)trans-117156.3174.8-71.2173.1-174.800110.4H222 R224E210-H222 HydrophobicContact CB-CB 4.38Å; E210-H222 PolarHBondContact N-O 2.9Å; E210-H222 PolarHBondContact O-N 3.36Å; E210-R224 IonicContact OE1-NH1 2.91Å; E210-R224 PolarHBondContact OE1-NH1 2.93Å; E210-R224 IonicContact OE2-CZ 3.58Å; E210-R224 IonicContact OE2-NH1 2.82Å; E210-R224 PolarHBondContact OE2-NH1 3.48Å; E210-R224 IonicContact OE2-NH2 3.47Å; E210-R224 PolarHBondContact OE2-NH2 2.88Å
211T98.5Very high97.5Very high57 Ų5766.6 Ų66.635%0.3535%0.346SS..EExtended strand (participates in β ladder)trans-99.5132.4175.862.70000110.7F184 V218F184-T211 HydrophobicContact CE1-CG2 3.53Å; F184-T211 HydrophobicContact CE2-CG2 4.47Å; F184-T211 HydrophobicContact CZ-CG2 3.43Å; F184-T211 VanDerWaalsContact CZ-CG2 3.43Å; T211-V218 HydrophobicContact CG2-CG1 3.97Å; T211-V218 HydrophobicContact CG2-CG2 4.08Å
212I98.6Very high97.6Very high63 Ų6361.4 Ų61.432%0.32332%0.324SS..EExtended strand (participates in β ladder)trans-94.2131.2165.2-62.4164.7000107.8I165 V219 A220 H222I165-I212 HydrophobicContact CD1-CD1 4.39Å; I165-I212 HydrophobicContact CG1-CD1 4.37Å; I165-I212 HydrophobicContact CG2-CD1 3.68Å; I212-V219 HydrophobicContact CG2-CG2 4.14Å; I212-V219 WeakPolarHBondContact O-CG2 3.39Å; I212-V219 PolarHBondContact O-N 3.5Å; I212-A220 HydrophobicContact CB-CB 4.04Å; I212-A220 HydrophobicContact CD1-CB 4.11Å; I212-A220 PolarHBondContact N-O 3.39Å; I212-A220 PolarHBondContact O-N 3.05Å; I212-H222 HydrophobicContact CD1-CB 4.13Å; I212-H222 HydrophobicContact CG1-CB 4.35Å
213K98.4Very high97.7Very high129 Ų12958.4 Ų58.456%0.56131%0.311SS*.EExtended strand (participates in β ladder)trans-118145.9-175-65.6179.5-178.6175.70111.8T217 V218K213-T217 CarbonylContact C-O 3.59Å; K213-T217 WeakPolarHBondContact CA-O 3.4Å; K213-V218 HydrophobicContact CG-CG2 4.01Å
214K97.4Very high97.8Very high168 Ų16862.7 Ų62.773%0.7333%0.325SS*.EExtended strand (participates in β ladder)trans-111.1102.6161.9-173.3177.2-179.2177.90107.8R216 T217 V219K214-R216 PolarHBondContact O-N 3.38Å; K214-T217 PolarHBondContact N-O 2.7Å; K214-T217 PolarHBondContact O-N 2.85Å; K214-V219 HydrophobicContact CB-CG1 3.68Å; K214-V219 HydrophobicContact CB-CG2 4.3Å
215G96.6Very high97.9Very high74 Ų7462.3 Ų62.376%0.76332%0.322SS*.THydrogen-bonded Turntrans61.2-120.5-168.800000111.2
216R94.8Very high97.9Very high250 Ų25069.4 Ų69.494%0.94335%0.353SS*.THydrogen-bonded Turntrans-86.9-14.8178.6-66.4-178.4176.8171.9-0.7113.8K214K214-R216 PolarHBondContact O-N 3.38Å
217T96.4Very high97.7Very high93 Ų9371.5 Ų71.557%0.57136%0.359SS*.EExtended strand (participates in β ladder)trans-90.9130-172.6-56.30000110.5K213 K214 V219K213-T217 CarbonylContact C-O 3.59Å; K213-T217 WeakPolarHBondContact CA-O 3.4Å; K214-T217 PolarHBondContact N-O 2.7Å; K214-T217 PolarHBondContact O-N 2.85Å; T217-V219 HydrophobicContact CG2-CG1 4.38Å
218V98Very high97.2Very high20 Ų2073.2 Ų73.212%0.12137%0.368CS..EExtended strand (participates in β ladder)trans-74.5123.2168.8176.40000108.3L168 F184 T211 K213L168-V218 HydrophobicContact CD2-CG1 4.41Å; L168-V218 WeakPolarHBondContact CD2-O 3.42Å; F184-V218 HydrophobicContact CD1-CB 4.24Å; F184-V218 HydrophobicContact CD1-CG1 4.47Å; F184-V218 HydrophobicContact CD1-CG2 3.75Å; F184-V218 HydrophobicContact CD2-CB 4.11Å; F184-V218 HydrophobicContact CD2-CG1 3.91Å; F184-V218 HydrophobicContact CE1-CG1 4.33Å; F184-V218 HydrophobicContact CE1-CG2 3.99Å; F184-V218 HydrophobicContact CE2-CB 4.4Å; F184-V218 HydrophobicContact CE2-CG1 3.75Å; F184-V218 HydrophobicContact CG-CB 4.03Å; F184-V218 HydrophobicContact CG-CG1 4.28Å; F184-V218 HydrophobicContact CG-CG2 4.04Å; F184-V218 HydrophobicContact CZ-CG1 3.98Å; F184-V218 HydrophobicContact CZ-CG2 4.47Å; T211-V218 HydrophobicContact CG2-CG1 3.97Å; T211-V218 HydrophobicContact CG2-CG2 4.08Å; K213-V218 HydrophobicContact CG-CG2 4.01Å
219V98.1Very high95.9Very high58 Ų5878.2 Ų78.235%0.35238%0.383SS..EExtended strand (participates in β ladder)trans-113-22.8-175.8-64.90000113L168 I212 K214 T217L168-V219 PolarHBondContact N-O 3.35Å; I212-V219 HydrophobicContact CG2-CG2 4.14Å; I212-V219 WeakPolarHBondContact O-CG2 3.39Å; I212-V219 PolarHBondContact O-N 3.5Å; K214-V219 HydrophobicContact CB-CG1 3.68Å; K214-V219 HydrophobicContact CB-CG2 4.3Å; T217-V219 HydrophobicContact CG2-CG1 4.38Å
220A98.7Very high94.4Very high11 Ų1183.6 Ų83.69%0.09141%0.405CS..EExtended strand (participates in β ladder)trans-150.7159.7178.200000111.8I165 I166 I212I165-A220 HydrophobicContact CG2-CB 4.38Å; I166-A220 CarbonylContact O-C 3.58Å; I166-A220 VanDerWaalsContact O-CA 3.23Å; I166-A220 WeakPolarHBondContact O-CA 3.4Å; I166-A220 VanDerWaalsContact O-CB 3.24Å; I166-A220 WeakPolarHBondContact O-CB 3.41Å; I212-A220 HydrophobicContact CB-CB 4.04Å; I212-A220 HydrophobicContact CD1-CB 4.11Å; I212-A220 PolarHBondContact N-O 3.39Å; I212-A220 PolarHBondContact O-N 3.05Å
221L98.7Very high92.3Very high0 Ų086.5 Ų86.50%042%0.422CS..EExtended strand (participates in β ladder)trans-106.6135.4171.2-63.4174.2000108.9I165 I166 L168 F171 F184 I192 V209 F223I165-L221 WeakPolarHBondContact CA-O 3.2Å; I166-L221 HydrophobicContact CG2-CB 4.04Å; I166-L221 PolarHBondContact N-O 3.35Å; I166-L221 PolarHBondContact O-N 3.13Å; L168-L221 HydrophobicContact CD1-CD1 4.42Å; L168-L221 HydrophobicContact CD1-CG 4.39Å; F171-L221 HydrophobicContact CB-CD1 4.33Å; F171-L221 HydrophobicContact CD1-CD1 3.72Å; F171-L221 HydrophobicContact CD2-CD1 3.96Å; F171-L221 HydrophobicContact CE1-CD1 3.96Å; F171-L221 HydrophobicContact CE2-CD1 4.17Å; F171-L221 HydrophobicContact CG-CD1 3.72Å; F171-L221 HydrophobicContact CZ-CD1 4.17Å; F184-L221 HydrophobicContact CE2-CD2 3.86Å; F184-L221 HydrophobicContact CZ-CD2 3.93Å; I192-L221 HydrophobicContact CD1-CD1 3.7Å; I192-L221 HydrophobicContact CD1-CD2 4.03Å; I192-L221 HydrophobicContact CG1-CD1 4.47Å; V209-L221 HydrophobicContact CG2-CB 4.27Å; V209-L221 HydrophobicContact CG2-CD2 4.12Å; L221-F223 HydrophobicContact CB-CD2 4.2Å; L221-F223 HydrophobicContact CB-CE2 3.66Å; L221-F223 HydrophobicContact CB-CZ 4.37Å; L221-F223 HydrophobicContact CD1-CE2 3.94Å; L221-F223 HydrophobicContact CD1-CZ 4.04Å; L221-F223 HydrophobicContact CG-CE2 4.44Å
222H98.8Very high90.6Very high22 Ų2287 Ų8710%0.10242%0.42CS..EExtended strand (participates in β ladder)trans-113.4103.9173.5-175.3-177.4000108.8I165 V209 E210 I212 R224I165-H222 HydrophobicContact CG1-CB 4.29Å; V209-H222 WeakPolarHBondContact CA-O 3.37Å; E210-H222 HydrophobicContact CB-CB 4.38Å; E210-H222 PolarHBondContact N-O 2.9Å; E210-H222 PolarHBondContact O-N 3.36Å; I212-H222 HydrophobicContact CD1-CB 4.13Å; I212-H222 HydrophobicContact CG1-CB 4.35Å; H222-R224 VanDerWaalsContact CE1-CZ 3.48Å; H222-R224 PolarHBondContact CE1-NH2 2.91Å; H222-R224 PolarHBondContact ND1-NH2 3.32Å
223F98.8Very high88.2Confident3 Ų391.9 Ų91.91%0.01344%0.443CS..EExtended strand (participates in β ladder)trans-88.4133.7172.6-66-91.1000109.9I151 L155 E163 R164 I166 F171 V196 V207 T208 V209 L221I151-F223 HydrophobicContact CG2-CE1 4.38Å; L155-F223 HydrophobicContact CD2-CB 3.54Å; L155-F223 HydrophobicContact CD2-CD1 4.09Å; L155-F223 HydrophobicContact CD2-CD2 4.33Å; L155-F223 HydrophobicContact CD2-CG 3.75Å; E163-F223 CarbonylContact C-O 3.52Å; E163-F223 VanDerWaalsContact CA-O 3.3Å; E163-F223 WeakPolarHBondContact CA-O 3.38Å; R164-F223 HydrophobicContact CB-CB 4.44Å; R164-F223 PolarHBondContact N-O 2.87Å; R164-F223 PolarHBondContact O-N 3.49Å; I166-F223 HydrophobicContact CG2-CD2 4.4Å; I166-F223 HydrophobicContact CG2-CE2 4.11Å; F171-F223 HydrophobicContact CD2-CE2 4.43Å; F171-F223 HydrophobicContact CE2-CE2 4.31Å; F171-F223 HydrophobicContact CE2-CZ 4.06Å; V196-F223 HydrophobicContact CG2-CE1 4.02Å; V207-F223 HydrophobicContact CG1-CD1 4.11Å; T208-F223 WeakPolarHBondContact O-CA 3.36Å; V209-F223 HydrophobicContact CB-CD1 3.82Å; V209-F223 HydrophobicContact CB-CE1 3.78Å; V209-F223 HydrophobicContact CB-CZ 4.46Å; V209-F223 HydrophobicContact CG2-CD1 3.84Å; V209-F223 HydrophobicContact CG2-CD2 4.39Å; V209-F223 HydrophobicContact CG2-CE1 3.59Å; V209-F223 HydrophobicContact CG2-CE2 4.18Å; V209-F223 HydrophobicContact CG2-CG 4.24Å; V209-F223 HydrophobicContact CG2-CZ 3.78Å; L221-F223 HydrophobicContact CB-CD2 4.2Å; L221-F223 HydrophobicContact CB-CE2 3.66Å; L221-F223 HydrophobicContact CB-CZ 4.37Å; L221-F223 HydrophobicContact CD1-CE2 3.94Å; L221-F223 HydrophobicContact CD1-CZ 4.04Å; L221-F223 HydrophobicContact CG-CE2 4.44Å
224R98.7Very high85.9Confident101 Ų10190.2 Ų90.238%0.38144%0.444SS..EExtended strand (participates in β ladder)trans-121133.9163.7-60.4-173.9-172.996.7-0.4109G162 T208 E210 H222G162-R224 CarbonylContact O-C 3.52Å; G162-R224 WeakPolarHBondContact O-CA 3.48Å; T208-R224 PolarHBondContact N-O 3.2Å; T208-R224 PolarHBondContact O-N 3.36Å; T208-R224 PolarHBondContact OG1-O 2.8Å; E210-R224 IonicContact OE1-NH1 2.91Å; E210-R224 PolarHBondContact OE1-NH1 2.93Å; E210-R224 IonicContact OE2-CZ 3.58Å; E210-R224 IonicContact OE2-NH1 2.82Å; E210-R224 PolarHBondContact OE2-NH1 3.48Å; E210-R224 IonicContact OE2-NH2 3.47Å; E210-R224 PolarHBondContact OE2-NH2 2.88Å; H222-R224 VanDerWaalsContact CE1-CZ 3.48Å; H222-R224 PolarHBondContact CE1-NH2 2.91Å; H222-R224 PolarHBondContact ND1-NH2 3.32Å
225F98Very high83Confident16 Ų1692.9 Ų92.97%0.0746%0.464CS..EExtended strand (participates in β ladder)trans-151.2156.9-17564.2-77.6000112.5L155 F158 G162 L205 A206 V207L155-F225 HydrophobicContact CB-CD1 4.24Å; L155-F225 HydrophobicContact CB-CD2 4.26Å; L155-F225 HydrophobicContact CB-CE1 4.08Å; L155-F225 HydrophobicContact CB-CE2 4.08Å; L155-F225 HydrophobicContact CB-CG 4.36Å; L155-F225 HydrophobicContact CB-CZ 4.01Å; L155-F225 HydrophobicContact CD1-CD1 4.38Å; L155-F225 HydrophobicContact CD1-CG 4.33Å; L155-F225 HydrophobicContact CD2-CD1 3.86Å; L155-F225 HydrophobicContact CD2-CE1 3.92Å; L155-F225 HydrophobicContact CG-CD1 4.37Å; L155-F225 HydrophobicContact CG-CE1 4.5Å; L155-F225 WeakPolarHBondContact O-CE2 3.45Å; L155-F225 WeakPolarHBondContact O-CZ 2.91Å; F158-F225 HydrophobicContact CB-CE1 4.29Å; F158-F225 HydrophobicContact CB-CZ 4.01Å; F158-F225 WeakPolarHBondContact O-CZ 3.26Å; G162-F225 VanDerWaalsContact C-CE1 3.41Å; G162-F225 VanDerWaalsContact CA-O 3.3Å; G162-F225 WeakPolarHBondContact CA-O 3.47Å; G162-F225 WeakPolarHBondContact O-CD1 3.16Å; G162-F225 PolarHBondContact O-N 3.14Å; L205-F225 HydrophobicContact CD1-CD2 4.32Å; L205-F225 HydrophobicContact CD2-CD2 4.14Å; A206-F225 CarbonylContact O-C 3.58Å; A206-F225 WeakPolarHBondContact O-CA 3.44Å; A206-F225 WeakPolarHBondContact O-CB 3.21Å; V207-F225 HydrophobicContact CB-CB 4.39Å; V207-F225 HydrophobicContact CG1-CB 4.4Å; V207-F225 HydrophobicContact CG2-CB 3.98Å
226K96.6Very high82.3Confident149 Ų14993.9 Ų93.965%0.64845%0.449SS*.EExtended strand (participates in β ladder)trans-146.3156.5174.261.9-179.1-179.1179.30109.8L205 A206 D228L205-K226 WeakPolarHBondContact CA-O 3.31Å; A206-K226 HydrophobicContact CB-CG 4.13Å; A206-K226 PolarHBondContact N-O 3.24Å; A206-K226 PolarHBondContact O-N 2.87Å; K226-D228 PolarHBondContact O-N 2.83Å
227E93.4Very high81.7Confident67 Ų6785.6 Ų85.631%0.31342%0.423SS..EExtended strand (participates in β ladder)trans-63.4127.9169.1-68-168.2153.500109.9R159 D204R159-E227 IonicContact CZ-OE1 2.79Å; R159-E227 IonicContact NE-OE1 3.49Å; R159-E227 PolarHBondContact NE-OE1 2.86Å; R159-E227 VanDerWaalsContact NE-OE1 3.11Å; R159-E227 IonicContact NH1-OE1 2.81Å; R159-E227 PolarHBondContact NH1-OE1 3.42Å; R159-E227 IonicContact NH2-OE1 2.59Å; R159-E227 PolarHBondContact NH2-OE1 2.99Å; R159-E227 IonicContact NH2-OE2 3.2Å; R159-E227 PolarHBondContact NH2-OE2 3.49Å; D204-E227 CarbonylContact O-C 3.53Å; D204-E227 WeakPolarHBondContact O-CA 3.38Å
228D88.2Confident80.8Confident41 Ų4185.2 Ų85.222%0.21942%0.415CS..  trans-113.593.1174.4-172.32.5000107.9D204 A206 K226 Q230 K232D204-D228 PolarHBondContact O-N 3.41Å; A206-D228 HydrophobicContact CB-CB 4.02Å; K226-D228 PolarHBondContact O-N 2.83Å; D228-Q230 PolarHBondContact O-N 2.58Å; D228-Q230 PolarHBondContact OD1-N 2.97Å; D228-K232 WeakPolarHBondContact OD2-CE 3.4Å; D228-K232 IonicContact OD2-NZ 3.34Å; D228-K232 PolarHBondContact OD2-NZ 3.28Å
229K71Confident79.8Confident183 Ų18389.1 Ų89.180%0.79643%0.432SS*.  trans-73.1-4.2-175.2-65-176.5-179.9178.10113.3I231K229-I231 PolarHBondContact O-N 3.26Å
230Q66.8Low78.7Confident155 Ų15591 Ų9172%0.72444%0.437SS*.SBendtrans-70.1123.7175.2-78.3-176.1-6.500109.6D228 K232D228-Q230 PolarHBondContact O-N 2.58Å; D228-Q230 PolarHBondContact OD1-N 2.97Å; Q230-K232 PolarHBondContact O-N 2.87Å
231I53Low77.4Confident156 Ų15696.3 Ų96.380%0.846%0.46SS*.  trans-60.6104.5174.3-62172.4000107.5K229 M233K229-I231 PolarHBondContact O-N 3.26Å; I231-M233 VanDerWaalsContact C-N 3.25Å; I231-M233 HydrophobicContact CG2-CG 4.03Å; I231-M233 PolarHBondContact O-N 3.3Å
232K63.4Low75.8Confident68 Ų68103.2 Ų103.230%0.29649%0.493SS..  trans-75.586.3171.2-63-179.8-176.8165.70107.1N200 K201 L205 D228 Q230 T234N200-K232 WeakPolarHBondContact O-CD 3.39Å; N200-K232 WeakPolarHBondContact O-CE 3.21Å; N200-K232 PolarHBondContact O-NZ 3.12Å; K201-K232 VanDerWaalsContact O-CB 3.22Å; K201-K232 WeakPolarHBondContact O-CB 3.29Å; L205-K232 PolarHBondContact O-NZ 3.24Å; D228-K232 WeakPolarHBondContact OD2-CE 3.4Å; D228-K232 IonicContact OD2-NZ 3.34Å; D228-K232 PolarHBondContact OD2-NZ 3.28Å; Q230-K232 PolarHBondContact O-N 2.87Å; K232-T234 PolarHBondContact O-N 2.97Å
233M48.6Very low74.1Confident165 Ų165109.5 Ų109.581%0.81352%0.523SS*.  trans-58.7108.7170.6-73.4-161.3-76.300107.6I231 I235I231-M233 VanDerWaalsContact C-N 3.25Å; I231-M233 HydrophobicContact CG2-CG 4.03Å; I231-M233 PolarHBondContact O-N 3.3Å; M233-I235 PolarHBondContact O-N 3.16Å
234T49.4Very low72Confident94 Ų94118.3 Ų118.358%0.57757%0.566SS**  trans-82105.8162.2-51.20000105.1K232K232-T234 PolarHBondContact O-N 2.97Å
235I37.1Very low69.6Low225 Ų225119.9 Ų119.9100%1.15458%0.583SS**  trans-67.20169.3-54.9173.6000108.3M233M233-I235 PolarHBondContact O-N 3.16Å

Retrieved 235 of 235 residues in 148.6 ms (Link to these results)

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