A0A077ZE69_TRITR Loading...

CAP domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZE69, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 132 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
1M40.7Very low78.4Confident240 Ų24081.9 Ų81.9100%1.18245%0.448SS*.  0130.10-69.1178.8-134.600106.7
2A58.5Low79.9Confident99 Ų9982.2 Ų82.282%0.81845%0.448SS*.PPolyproline II helixtrans-72138.2174.200000109.1
3F57.5Low81.2Confident122 Ų12277.2 Ų77.254%0.53542%0.422SS..PPolyproline II helixtrans-64.5142.2172-71.7-85.9000109.3
4P71.8Confident82.4Confident60 Ų6073.9 Ų73.939%0.3940%0.402SS..PPolyproline II helixtrans-54.3143.6168.2-21.931.8000109.9V8 H9P4-V8 HydrophobicContact CB-CB 3.84Å; P4-V8 HydrophobicContact CB-CG1 3.77Å; P4-V8 HydrophobicContact CB-CG2 4.41Å; P4-H9 PolarHBondContact O-CD2 3.37Å
5P81.9Confident83.5Confident72 Ų7270.3 Ų70.347%0.46838%0.383SS..PPolyproline II helixtrans-53.8145.7178-26.133.5000111.6K7 V8P5-K7 HydrophobicContact CB-CG 4.22Å; P5-K7 PolarHBondContact O-N 3.12Å; P5-V8 WeakPolarHBondContact O-CA 3.28Å; P5-V8 VanDerWaalsContact O-CB 3.3Å; P5-V8 WeakPolarHBondContact O-CB 3.22Å; P5-V8 PolarHBondContact O-N 2.67Å
6L87.4Confident84.4Confident61 Ų6173.5 Ų73.532%0.31939%0.392SS..Hα-helixtrans-31.5-49.3173.4-167.266.3000115.1V8 H9 M10 E92 V95 I96 L99L6-V8 VanDerWaalsContact C-N 3.28Å; L6-V8 PolarHBondContact O-N 3Å; L6-H9 PolarHBondContact O-N 3.28Å; L6-H9 VanDerWaalsContact O-N 3.12Å; L6-M10 HydrophobicContact CG-SD 4.48Å; L6-M10 PolarHBondContact O-N 3.16Å; L6-E92 PolarHBondContact N-OE1 2.9Å; L6-V95 HydrophobicContact CD1-CG1 4.07Å; L6-V95 HydrophobicContact CD2-CG1 4.47Å; L6-I96 HydrophobicContact CD1-CB 4.39Å; L6-I96 HydrophobicContact CD1-CG1 3.44Å; L6-I96 VanDerWaalsContact CD1-CG1 3.44Å; L6-L99 HydrophobicContact CD1-CD1 3.37Å; L6-L99 HydrophobicContact CD2-CD1 3.82Å; L6-L99 HydrophobicContact CG-CD1 3.73Å
7K90.8Very high85.3Confident78 Ų7870.1 Ų70.134%0.33937%0.372SS..Hα-helixtrans-58.2-35.5-179.868.2-177.7-173.1-176.20113.9P5 M10 I11 W40 E42P5-K7 HydrophobicContact CB-CG 4.22Å; P5-K7 PolarHBondContact O-N 3.12Å; K7-M10 PolarHBondContact O-N 3.07Å; K7-I11 WeakPolarHBondContact O-CG2 3.34Å; K7-I11 PolarHBondContact O-N 3.14Å; K7-W40 HydrophobicContact CB-CD2 3.67Å; K7-W40 HydrophobicContact CB-CE3 3.73Å; K7-W40 HydrophobicContact CB-CG 4.34Å; K7-W40 HydrophobicContact CB-CH2 3.75Å; K7-W40 HydrophobicContact CB-CZ2 3.68Å; K7-W40 HydrophobicContact CB-CZ3 3.77Å; K7-W40 HydrophobicContact CD-CD2 4.28Å; K7-W40 HydrophobicContact CD-CG 4.22Å; K7-W40 HydrophobicContact CG-CD2 4.49Å; K7-E42 IonicContact NZ-OE1 2.63Å; K7-E42 PolarHBondContact NZ-OE1 3.42Å
8V92.2Very high86Confident45 Ų4568.3 Ų68.327%0.27336%0.36SS..Hα-helixtrans-67.2-40178.5178.20000110.5P4 P5 L6 I11 N12P4-V8 HydrophobicContact CB-CB 3.84Å; P4-V8 HydrophobicContact CB-CG1 3.77Å; P4-V8 HydrophobicContact CB-CG2 4.41Å; P5-V8 WeakPolarHBondContact O-CA 3.28Å; P5-V8 VanDerWaalsContact O-CB 3.3Å; P5-V8 WeakPolarHBondContact O-CB 3.22Å; P5-V8 PolarHBondContact O-N 2.67Å; L6-V8 VanDerWaalsContact C-N 3.28Å; L6-V8 PolarHBondContact O-N 3Å; V8-I11 WeakPolarHBondContact O-CG2 3.5Å; V8-N12 VanDerWaalsContact CG1-ND2 3.33Å; V8-N12 WeakPolarHBondContact CG1-ND2 3.21Å; V8-N12 WeakPolarHBondContact O-CB 3.36Å; V8-N12 PolarHBondContact O-N 3.08Å; V8-N12 PolarHBondContact O-ND2 2.89Å
9H92.2Very high86.7Confident53 Ų5373.4 Ų73.425%0.24537%0.374CS..Hα-helixtrans-66-41.9176.2-75.8-85.9000112.1P4 L6 T13 I96P4-H9 PolarHBondContact O-CD2 3.37Å; L6-H9 PolarHBondContact O-N 3.28Å; L6-H9 VanDerWaalsContact O-N 3.12Å; H9-T13 WeakPolarHBondContact O-CB 3.42Å; H9-T13 PolarHBondContact O-N 2.79Å; H9-T13 PolarHBondContact O-OG1 3.49Å; H9-I96 HydrophobicContact CB-CG1 4.47Å; H9-I96 HydrophobicContact CB-CG2 3.83Å
10M93.5Very high87.2Confident45 Ų4572.6 Ų72.622%0.22237%0.368CS..Hα-helixtrans-62.6-51.4177.8-66.3174.967.200111.6L6 K7 T13 H14 W40 L99 I103L6-M10 HydrophobicContact CG-SD 4.48Å; L6-M10 PolarHBondContact O-N 3.16Å; K7-M10 PolarHBondContact O-N 3.07Å; M10-T13 PolarHBondContact O-N 2.89Å; M10-H14 PolarHBondContact O-N 2.8Å; M10-H14 VanDerWaalsContact O-N 3.17Å; M10-H14 PolarHBondContact O-ND1 3.43Å; M10-W40 HydrophobicContact CB-CZ3 4.31Å; M10-W40 HydrophobicContact CE-CH2 4.4Å; M10-W40 HydrophobicContact CE-CZ3 4.16Å; M10-W40 HydrophobicContact SD-CH2 4.09Å; M10-W40 HydrophobicContact SD-CZ3 4Å; M10-L99 HydrophobicContact CG-CD1 4.38Å; M10-L99 HydrophobicContact SD-CD1 4.08Å; M10-I103 HydrophobicContact CB-CD1 4.11Å; M10-I103 HydrophobicContact CG-CD1 4.22Å
11I96Very high87.8Confident26 Ų2669.9 Ų69.913%0.13336%0.355CS..Hα-helixtrans-69.9-35.5-176.6-159.666.8000112.2K7 V8 N15 I38K7-I11 WeakPolarHBondContact O-CG2 3.34Å; K7-I11 PolarHBondContact O-N 3.14Å; V8-I11 WeakPolarHBondContact O-CG2 3.5Å; I11-N15 WeakPolarHBondContact O-CB 3.29Å; I11-N15 PolarHBondContact O-N 2.9Å; I11-N15 PolarHBondContact O-ND2 3.19Å; I11-N15 VanDerWaalsContact O-ND2 3.12Å; I11-I38 HydrophobicContact CD1-CB 4.27Å; I11-I38 HydrophobicContact CD1-CD1 3.59Å; I11-I38 HydrophobicContact CD1-CG1 3.58Å; I11-I38 HydrophobicContact CG1-CG1 4.45Å
12N96.2Very high90.5Very high85 Ų8559.5 Ų59.546%0.45531%0.307SS..Hα-helixtrans-68-36.8176-75-16.3000111.7V8 N15 K16V8-N12 VanDerWaalsContact CG1-ND2 3.33Å; V8-N12 WeakPolarHBondContact CG1-ND2 3.21Å; V8-N12 WeakPolarHBondContact O-CB 3.36Å; V8-N12 PolarHBondContact O-N 3.08Å; V8-N12 PolarHBondContact O-ND2 2.89Å; N12-N15 PolarHBondContact O-N 2.74Å; N12-K16 VanDerWaalsContact O-CB 3.24Å; N12-K16 WeakPolarHBondContact O-CB 3.48Å; N12-K16 PolarHBondContact O-N 3.06Å
13T97.2Very high92.4Very high18 Ų1858.5 Ų58.511%0.1129%0.287CS..Hα-helixtrans-64.5-47.4176.7-58.60000111.2H9 M10 K16 F17 V100 I103H9-T13 WeakPolarHBondContact O-CB 3.42Å; H9-T13 PolarHBondContact O-N 2.79Å; H9-T13 PolarHBondContact O-OG1 3.49Å; M10-T13 PolarHBondContact O-N 2.89Å; T13-K16 WeakPolarHBondContact O-CB 3.42Å; T13-K16 PolarHBondContact O-N 3.36Å; T13-F17 HydrophobicContact CG2-CD2 4.03Å; T13-F17 HydrophobicContact CG2-CE2 3.53Å; T13-F17 HydrophobicContact CG2-CZ 4.24Å; T13-F17 WeakPolarHBondContact O-CD2 3.33Å; T13-F17 PolarHBondContact O-N 2.84Å; T13-F17 VanDerWaalsContact O-N 3.15Å; T13-V100 HydrophobicContact CG2-CG1 4.25Å; T13-I103 HydrophobicContact CG2-CB 4.03Å; T13-I103 HydrophobicContact CG2-CD1 4.47Å; T13-I103 HydrophobicContact CG2-CG2 3.65Å
14H98.4Very high94.3Very high31 Ų3154.7 Ų54.714%0.14428%0.283CS..Hα-helixtrans-58.8-51.4174.1-74.185.6000111.7M10 K16 F17 R18 I38M10-H14 PolarHBondContact O-N 2.8Å; M10-H14 VanDerWaalsContact O-N 3.17Å; M10-H14 PolarHBondContact O-ND1 3.43Å; H14-K16 VanDerWaalsContact C-N 3.27Å; H14-K16 PolarHBondContact O-N 3.15Å; H14-F17 PolarHBondContact O-N 3.23Å; H14-F17 VanDerWaalsContact O-N 3.1Å; H14-R18 VanDerWaalsContact O-CG 3.31Å; H14-R18 WeakPolarHBondContact O-CG 3.49Å; H14-R18 PolarHBondContact O-N 3.09Å; H14-I38 HydrophobicContact CB-CD1 3.63Å; H14-I38 HydrophobicContact CB-CG1 4.35Å
15N98.5Very high95.6Very high20 Ų2057.7 Ų57.711%0.10729%0.293CS..Hα-helixtrans-63.1-32-179.4-78.9-44.1000113.1I11 N12 R19 R37 I38I11-N15 WeakPolarHBondContact O-CB 3.29Å; I11-N15 PolarHBondContact O-N 2.9Å; I11-N15 PolarHBondContact O-ND2 3.19Å; I11-N15 VanDerWaalsContact O-ND2 3.12Å; N12-N15 PolarHBondContact O-N 2.74Å; N15-R19 WeakPolarHBondContact O-CB 3.41Å; N15-R19 PolarHBondContact O-N 2.67Å; N15-R37 WeakPolarHBondContact OD1-CA 3.33Å; N15-R37 WeakPolarHBondContact OD1-CG 3.36Å; N15-I38 PolarHBondContact ND2-O 3.27Å; N15-I38 WeakPolarHBondContact OD1-CG1 3.4Å; N15-I38 PolarHBondContact OD1-N 2.78Å
16K98.1Very high96.3Very high121 Ų12154.6 Ų54.653%0.52627%0.273SS..Hα-helixtrans-60.4-49.4171.9173.3-173.9171.9-170.40110.6N12 T13 H14 R19 Q20N12-K16 VanDerWaalsContact O-CB 3.24Å; N12-K16 WeakPolarHBondContact O-CB 3.48Å; N12-K16 PolarHBondContact O-N 3.06Å; T13-K16 WeakPolarHBondContact O-CB 3.42Å; T13-K16 PolarHBondContact O-N 3.36Å; H14-K16 VanDerWaalsContact C-N 3.27Å; H14-K16 PolarHBondContact O-N 3.15Å; K16-R19 PolarHBondContact O-N 3.18Å; K16-Q20 WeakPolarHBondContact O-CG 3.43Å; K16-Q20 PolarHBondContact O-N 2.65Å
17F98.5Very high96.8Very high15 Ų1555.9 Ų55.97%0.06629%0.285CS..Hα-helixtrans-66.3-46180-72.4-38.4000112.8T13 H14 R19 Q20 L21 I103 T104 F107 V132T13-F17 HydrophobicContact CG2-CD2 4.03Å; T13-F17 HydrophobicContact CG2-CE2 3.53Å; T13-F17 HydrophobicContact CG2-CZ 4.24Å; T13-F17 WeakPolarHBondContact O-CD2 3.33Å; T13-F17 PolarHBondContact O-N 2.84Å; T13-F17 VanDerWaalsContact O-N 3.15Å; H14-F17 PolarHBondContact O-N 3.23Å; H14-F17 VanDerWaalsContact O-N 3.1Å; F17-R19 VanDerWaalsContact C-N 3.27Å; F17-R19 PolarHBondContact O-N 3.11Å; F17-Q20 WeakPolarHBondContact O-CB 3.48Å; F17-Q20 PolarHBondContact O-N 3.34Å; F17-Q20 VanDerWaalsContact O-N 3.09Å; F17-L21 PolarHBondContact O-N 2.98Å; F17-I103 HydrophobicContact CD2-CG2 4.15Å; F17-I103 HydrophobicContact CE2-CG2 4.08Å; F17-T104 HydrophobicContact CZ-CG2 4.07Å; F17-F107 HydrophobicContact CB-CD1 4.24Å; F17-F107 HydrophobicContact CB-CD2 3.56Å; F17-F107 HydrophobicContact CB-CE1 4.22Å; F17-F107 HydrophobicContact CB-CE2 3.55Å; F17-F107 HydrophobicContact CB-CG 3.88Å; F17-F107 HydrophobicContact CB-CZ 3.86Å; F17-F107 HydrophobicContact CD1-CB 4.46Å; F17-F107 AromaticContact CD1-CD1 3.42Å; F17-F107 HydrophobicContact CD1-CD1 3.42Å; F17-F107 VanDerWaalsContact CD1-CD1 3.42Å; F17-F107 HydrophobicContact CD1-CD2 4.33Å; F17-F107 AromaticContact CD1-CE1 3.52Å; F17-F107 HydrophobicContact CD1-CE1 3.52Å; F17-F107 HydrophobicContact CD1-CE2 4.42Å; F17-F107 AromaticContact CD1-CG 3.81Å; F17-F107 HydrophobicContact CD1-CG 3.81Å; F17-F107 HydrophobicContact CD1-CZ 4.01Å; F17-F107 HydrophobicContact CD2-CB 3.74Å; F17-F107 HydrophobicContact CD2-CD1 4.23Å; F17-F107 HydrophobicContact CD2-CD2 4.25Å; F17-F107 AromaticContact CD2-CG 3.82Å; F17-F107 HydrophobicContact CD2-CG 3.82Å; F17-F107 AromaticContact CE1-CD1 3.73Å; F17-F107 HydrophobicContact CE1-CD1 3.73Å; F17-F107 HydrophobicContact CE1-CE1 4.12Å; F17-F107 HydrophobicContact CE1-CG 4.3Å; F17-F107 HydrophobicContact CE2-CB 3.92Å; F17-F107 HydrophobicContact CE2-CD1 4.47Å; F17-F107 HydrophobicContact CE2-CG 4.28Å; F17-F107 HydrophobicContact CG-CB 4.05Å; F17-F107 AromaticContact CG-CD1 3.72Å; F17-F107 HydrophobicContact CG-CD1 3.72Å; F17-F107 AromaticContact CG-CD2 3.82Å; F17-F107 HydrophobicContact CG-CD2 3.82Å; F17-F107 HydrophobicContact CG-CE1 4.02Å; F17-F107 HydrophobicContact CG-CE2 4.12Å; F17-F107 AromaticContact CG-CG 3.57Å; F17-F107 HydrophobicContact CG-CG 3.57Å; F17-F107 HydrophobicContact CG-CZ 4.17Å; F17-F107 HydrophobicContact CZ-CB 4.38Å; F17-F107 HydrophobicContact CZ-CD1 4.26Å; F17-V132 HydrophobicContact CB-CG1 4.27Å
18R98.7Very high97Very high39 Ų3960.5 Ų60.515%0.14731%0.305CS..Hα-helixtrans-56-42.5173.1-67.3174.671.777.5-2.2111.7H14 L21 A22 M35 L36 V132H14-R18 VanDerWaalsContact O-CG 3.31Å; H14-R18 WeakPolarHBondContact O-CG 3.49Å; H14-R18 PolarHBondContact O-N 3.09Å; R18-L21 PolarHBondContact O-N 3.49Å; R18-A22 WeakPolarHBondContact O-CB 3.3Å; R18-A22 PolarHBondContact O-N 3.49Å; R18-M35 HydrophobicContact CB-CG 3.81Å; R18-M35 HydrophobicContact CB-SD 4.27Å; R18-M35 HydrophobicContact CG-CG 4.49Å; R18-M35 HydrophobicContact CG-SD 4.33Å; R18-M35 PolarHBondContact NH2-SD 3.07Å; R18-L36 VanDerWaalsContact CZ-O 3.3Å; R18-L36 PolarHBondContact NE-O 2.73Å; R18-L36 PolarHBondContact NH2-O 2.93Å; R18-V132 VanDerWaalsContact CD-O 3.26Å; R18-V132 WeakPolarHBondContact CD-O 3.38Å; R18-V132 WeakPolarHBondContact CG-O 3.44Å; R18-V132 PolarHBondContact NH1-O 3.38Å
19R98.4Very high97.3Very high164 Ų16459.1 Ų59.162%0.61930%0.296SS*.Hα-helixtrans-65.6-42.6174.8-178.9177.4178.9-85.81.1112.4N15 K16 F17 L21 A22 L23N15-R19 WeakPolarHBondContact O-CB 3.41Å; N15-R19 PolarHBondContact O-N 2.67Å; K16-R19 PolarHBondContact O-N 3.18Å; F17-R19 VanDerWaalsContact C-N 3.27Å; F17-R19 PolarHBondContact O-N 3.11Å; R19-L21 VanDerWaalsContact C-N 3.33Å; R19-L21 PolarHBondContact O-N 2.92Å; R19-A22 PolarHBondContact O-N 2.94Å; R19-L23 HydrophobicContact CG-CD1 3.89Å; R19-L23 HydrophobicContact CG-CG 4.35Å; R19-L23 WeakPolarHBondContact O-CB 3.48Å; R19-L23 VanDerWaalsContact O-CG 3.28Å; R19-L23 WeakPolarHBondContact O-CG 3.46Å; R19-L23 PolarHBondContact O-N 2.6Å
20Q98.3Very high97.6Very high58 Ų5858.9 Ų58.927%0.27130%0.299SS..Hα-helixtrans-59.7-44.4176.5-76.9177.5-14.300111.3K16 F17 L23 G24 M25 V26K16-Q20 WeakPolarHBondContact O-CG 3.43Å; K16-Q20 PolarHBondContact O-N 2.65Å; F17-Q20 WeakPolarHBondContact O-CB 3.48Å; F17-Q20 PolarHBondContact O-N 3.34Å; F17-Q20 VanDerWaalsContact O-N 3.09Å; Q20-L23 PolarHBondContact O-N 3.41Å; Q20-G24 PolarHBondContact O-N 2.94Å; Q20-M25 HydrophobicContact CB-CB 4.27Å; Q20-M25 WeakPolarHBondContact O-CB 3.46Å; Q20-M25 PolarHBondContact O-N 3.31Å; Q20-V26 HydrophobicContact CB-CG2 4.09Å
21L98.4Very high97.8Very high16 Ų1663.3 Ų63.38%0.08432%0.317CS..Hα-helixtrans-61.7-46.2174.8-177.360.5000111.5F17 R18 R19 L23 G24 V26 Q29 A32 M35F17-L21 PolarHBondContact O-N 2.98Å; R18-L21 PolarHBondContact O-N 3.49Å; R19-L21 VanDerWaalsContact C-N 3.33Å; R19-L21 PolarHBondContact O-N 2.92Å; L21-L23 PolarHBondContact O-N 2.91Å; L21-G24 PolarHBondContact O-N 3.34Å; L21-V26 HydrophobicContact CB-CG2 3.93Å; L21-V26 HydrophobicContact CD1-CB 4.09Å; L21-V26 HydrophobicContact CD1-CG2 4.17Å; L21-Q29 HydrophobicContact CD1-CB 3.53Å; L21-Q29 HydrophobicContact CD1-CG 4.32Å; L21-A32 PolarHBondContact O-N 2.87Å; L21-M35 HydrophobicContact CD2-CE 3.87Å
22A98.3Very high97.8Very high22 Ų2263.1 Ų63.118%0.18232%0.319CS..Hα-helixtrans-63.5-22.3176.900000114.2R18 R19 K31 A32 M35R18-A22 WeakPolarHBondContact O-CB 3.3Å; R18-A22 PolarHBondContact O-N 3.49Å; R19-A22 PolarHBondContact O-N 2.94Å; A22-K31 WeakPolarHBondContact O-CE 3.12Å; A22-K31 WeakPolarHBondContact O-CG 3.33Å; A22-A32 HydrophobicContact CB-CB 4.42Å; A22-M35 HydrophobicContact CB-CB 3.79Å; A22-M35 HydrophobicContact CB-CG 4.36Å
23L98.1Very high97.8Very high77 Ų7765.4 Ų65.440%0.40334%0.336SS..THydrogen-bonded Turntrans-92.8-1.1175.2-69174.8000113.3R19 Q20 L21 M25R19-L23 HydrophobicContact CG-CD1 3.89Å; R19-L23 HydrophobicContact CG-CG 4.35Å; R19-L23 WeakPolarHBondContact O-CB 3.48Å; R19-L23 VanDerWaalsContact O-CG 3.28Å; R19-L23 WeakPolarHBondContact O-CG 3.46Å; R19-L23 PolarHBondContact O-N 2.6Å; Q20-L23 PolarHBondContact O-N 3.41Å; L21-L23 PolarHBondContact O-N 2.91Å; L23-M25 VanDerWaalsContact C-N 3.28Å; L23-M25 HydrophobicContact CB-CE 4.09Å; L23-M25 HydrophobicContact CB-CG 3.92Å; L23-M25 HydrophobicContact CB-SD 4Å; L23-M25 HydrophobicContact CD1-CE 3.89Å; L23-M25 HydrophobicContact CD1-SD 4.02Å
24G98Very high97.8Very high42 Ų4272.8 Ų72.843%0.43337%0.369SS..THydrogen-bonded Turntrans70.624.3-176.500000113.3Q20 L21Q20-G24 PolarHBondContact O-N 2.94Å; L21-G24 PolarHBondContact O-N 3.34Å
25M98.3Very high97.7Very high123 Ų12374.1 Ų74.161%0.60638%0.377SS*.  trans-88.6-4.6-179.3-64.1176.6170.100113Q20 L23Q20-M25 HydrophobicContact CB-CB 4.27Å; Q20-M25 WeakPolarHBondContact O-CB 3.46Å; Q20-M25 PolarHBondContact O-N 3.31Å; L23-M25 VanDerWaalsContact C-N 3.28Å; L23-M25 HydrophobicContact CB-CE 4.09Å; L23-M25 HydrophobicContact CB-CG 3.92Å; L23-M25 HydrophobicContact CB-SD 4Å; L23-M25 HydrophobicContact CD1-CE 3.89Å; L23-M25 HydrophobicContact CD1-SD 4.02Å
26V98.1Very high97.7Very high8 Ų879.4 Ų79.45%0.04840%0.404CS..SBendtrans-94116.4-178.1-176.80000108.9Q20 L21 K28 Q29 F107 H110Q20-V26 HydrophobicContact CB-CG2 4.09Å; L21-V26 HydrophobicContact CB-CG2 3.93Å; L21-V26 HydrophobicContact CD1-CB 4.09Å; L21-V26 HydrophobicContact CD1-CG2 4.17Å; V26-K28 PolarHBondContact O-N 3.01Å; V26-Q29 HydrophobicContact CB-CB 4.17Å; V26-Q29 HydrophobicContact CB-CG 4.42Å; V26-Q29 HydrophobicContact CG1-CB 4.01Å; V26-Q29 HydrophobicContact CG1-CG 3.7Å; V26-Q29 PolarHBondContact O-N 3.45Å; V26-F107 HydrophobicContact CG1-CZ 4.19Å; V26-F107 HydrophobicContact CG2-CE1 4.23Å; V26-F107 HydrophobicContact CG2-CZ 3.57Å; V26-H110 HydrophobicContact CG1-CB 4.2Å; V26-H110 WeakPolarHBondContact CG1-ND1 3.44Å
27P97Very high97.7Very high88 Ų8882.2 Ų82.257%0.57141%0.411SS*.THydrogen-bonded Turntrans-56.3138.9-178.1-26.134.8000112.4Q29P27-Q29 PolarHBondContact O-N 3.39Å; P27-Q29 VanDerWaalsContact O-N 3.15Å
28K95.5Very high97.6Very high175 Ų17584.1 Ų84.176%0.76142%0.422SS*.THydrogen-bonded Turntrans62.212.6177.3-54.6173.8-179173.30115.3V26V26-K28 PolarHBondContact O-N 3.01Å
29Q98.2Very high97.5Very high16 Ų1689.5 Ų89.58%0.07545%0.449CS..SBendtrans-115.3142174.4-60.1-58.2-28.700110.6L21 V26 P27 H110 Y113 Y129L21-Q29 HydrophobicContact CD1-CB 3.53Å; L21-Q29 HydrophobicContact CD1-CG 4.32Å; V26-Q29 HydrophobicContact CB-CB 4.17Å; V26-Q29 HydrophobicContact CB-CG 4.42Å; V26-Q29 HydrophobicContact CG1-CB 4.01Å; V26-Q29 HydrophobicContact CG1-CG 3.7Å; V26-Q29 PolarHBondContact O-N 3.45Å; P27-Q29 PolarHBondContact O-N 3.39Å; P27-Q29 VanDerWaalsContact O-N 3.15Å; Q29-H110 HydrophobicContact CG-CB 4.24Å; Q29-H110 PolarHBondContact NE2-O 3.38Å; Q29-Y113 PolarHBondContact NE2-O 3.22Å; Q29-Y129 WeakPolarHBondContact CG-OH 3.24Å
30P97.5Very high97.4Very high48 Ų4885.9 Ų85.931%0.31244%0.435SS..PPolyproline II helixtrans-70153.8175.831.4-35.4000110.7A32 Y115P30-A32 PolarHBondContact O-N 2.83Å; P30-Y115 HydrophobicContact CG-CD1 3.6Å; P30-Y115 HydrophobicContact CG-CD2 3.61Å; P30-Y115 HydrophobicContact CG-CE1 3.87Å; P30-Y115 HydrophobicContact CG-CE2 3.88Å; P30-Y115 HydrophobicContact CG-CG 3.46Å; P30-Y115 VanDerWaalsContact CG-CG 3.46Å
31K97.7Very high97.2Very high137 Ų13785.6 Ų85.660%0.59644%0.435SS*.PPolyproline II helixtrans-63.1128.5169.9-173.6-172.8175.4-177.90109.8A22A22-K31 WeakPolarHBondContact O-CE 3.12Å; A22-K31 WeakPolarHBondContact O-CG 3.33Å
32A97.4Very high97Very high23 Ų2389.1 Ų89.119%0.1945%0.451CS..PPolyproline II helixtrans-78.4137.5170.100000111.4L21 A22 P30 M35L21-A32 PolarHBondContact O-N 2.87Å; A22-A32 HydrophobicContact CB-CB 4.42Å; P30-A32 PolarHBondContact O-N 2.83Å; A32-M35 HydrophobicContact CB-CB 3.88Å; A32-M35 HydrophobicContact CB-CE 3.69Å
33T95.4Very high96.8Very high132 Ų13292.2 Ų92.281%0.8146%0.462SS*.SBendtrans-94.9-24-18051.90000113.5
34Q96.8Very high96.7Very high173 Ų17391.6 Ų91.681%0.80846%0.459SS*.SBendtrans-135.642.4-175.3-61.4-175.88.400112L36Q34-L36 PolarHBondContact O-N 2.88Å
35M97.7Very high96.5Very high60 Ų6091 Ų9130%0.29645%0.448SS..  trans-74.9107.6178.8-171.459.563.500110.7R18 L21 A22 A32R18-M35 HydrophobicContact CB-CG 3.81Å; R18-M35 HydrophobicContact CB-SD 4.27Å; R18-M35 HydrophobicContact CG-CG 4.49Å; R18-M35 HydrophobicContact CG-SD 4.33Å; R18-M35 PolarHBondContact NH2-SD 3.07Å; L21-M35 HydrophobicContact CD2-CE 3.87Å; A22-M35 HydrophobicContact CB-CB 3.79Å; A22-M35 HydrophobicContact CB-CG 4.36Å; A32-M35 HydrophobicContact CB-CB 3.88Å; A32-M35 HydrophobicContact CB-CE 3.69Å
36L97.6Very high96.3Very high130 Ų13091 Ų9168%0.68144%0.444SS*.PPolyproline II helixtrans-69.1142.4179.1-62.3177.5000111.5R18 Q34R18-L36 VanDerWaalsContact CZ-O 3.3Å; R18-L36 PolarHBondContact NE-O 2.73Å; R18-L36 PolarHBondContact NH2-O 2.93Å; Q34-L36 PolarHBondContact O-N 2.88Å
37R97.6Very high96.1Very high181 Ų18191.9 Ų91.968%0.68345%0.45SS*.PPolyproline II helixtrans-72.8132.2164.1-175.5-177.5174.9-133.31.5108.3N15N15-R37 WeakPolarHBondContact OD1-CA 3.33Å; N15-R37 WeakPolarHBondContact OD1-CG 3.36Å
38I97.3Very high96.1Very high55 Ų5590.4 Ų90.428%0.28245%0.445SS..PPolyproline II helixtrans-94.2152.5176.859.6164000111I11 H14 N15I11-I38 HydrophobicContact CD1-CB 4.27Å; I11-I38 HydrophobicContact CD1-CD1 3.59Å; I11-I38 HydrophobicContact CD1-CG1 3.58Å; I11-I38 HydrophobicContact CG1-CG1 4.45Å; H14-I38 HydrophobicContact CB-CD1 3.63Å; H14-I38 HydrophobicContact CB-CG1 4.35Å; N15-I38 PolarHBondContact ND2-O 3.27Å; N15-I38 WeakPolarHBondContact OD1-CG1 3.4Å; N15-I38 PolarHBondContact OD1-N 2.78Å
39E96.2Very high96Very high152 Ų15284.1 Ų84.171%0.7143%0.43SS*.  trans-120.9159.9177.8-61-169.8163.300110.3
40W95.6Very high95.9Very high88 Ų8888.8 Ų88.833%0.33345%0.45SS..  trans-74.7133.3177.5-176.9-92.7000110K7 M10 E42K7-W40 HydrophobicContact CB-CD2 3.67Å; K7-W40 HydrophobicContact CB-CE3 3.73Å; K7-W40 HydrophobicContact CB-CG 4.34Å; K7-W40 HydrophobicContact CB-CH2 3.75Å; K7-W40 HydrophobicContact CB-CZ2 3.68Å; K7-W40 HydrophobicContact CB-CZ3 3.77Å; K7-W40 HydrophobicContact CD-CD2 4.28Å; K7-W40 HydrophobicContact CD-CG 4.22Å; K7-W40 HydrophobicContact CG-CD2 4.49Å; M10-W40 HydrophobicContact CB-CZ3 4.31Å; M10-W40 HydrophobicContact CE-CH2 4.4Å; M10-W40 HydrophobicContact CE-CZ3 4.16Å; M10-W40 HydrophobicContact SD-CH2 4.09Å; M10-W40 HydrophobicContact SD-CZ3 4Å; W40-E42 VanDerWaalsContact CD1-CD 3.47Å; W40-E42 VanDerWaalsContact NE1-CD 3.28Å; W40-E42 PolarHBondContact NE1-OE2 3.03Å
41D94.6Very high95.9Very high52 Ų5287.2 Ų87.228%0.27844%0.438SS..  trans-113.8121.8173.8-174.6-78.6000109.8E43 L44 S45 N69D41-E43 WeakPolarHBondContact OD1-CA 3.36Å; D41-E43 PolarHBondContact OD1-N 2.94Å; D41-L44 HydrophobicContact CB-CB 4.02Å; D41-L44 HydrophobicContact CB-CD1 3.84Å; D41-L44 HydrophobicContact CB-CG 4.02Å; D41-L44 PolarHBondContact OD1-N 2.93Å; D41-S45 WeakPolarHBondContact O-CB 3.34Å; D41-S45 PolarHBondContact O-N 2.78Å; D41-S45 VanDerWaalsContact O-N 3.07Å; D41-N69 PolarHBondContact OD1-ND2 3.42Å; D41-N69 PolarHBondContact OD2-ND2 3.21Å
42E94.6Very high95.8Very high89 Ų8984 Ų8442%0.41644%0.437SS..Hα-helixtrans-71.1-32.4-174-63.6-67.3179.500112.1K7 W40 S45 K46K7-E42 IonicContact NZ-OE1 2.63Å; K7-E42 PolarHBondContact NZ-OE1 3.42Å; W40-E42 VanDerWaalsContact CD1-CD 3.47Å; W40-E42 VanDerWaalsContact NE1-CD 3.28Å; W40-E42 PolarHBondContact NE1-OE2 3.03Å; E42-S45 PolarHBondContact O-N 2.88Å; E42-S45 PolarHBondContact O-OG 3.28Å; E42-K46 WeakPolarHBondContact O-CG 3.35Å; E42-K46 PolarHBondContact O-N 3.05Å; E42-K46 VanDerWaalsContact O-N 3.09Å
43E93.7Very high95.7Very high88 Ų8887.2 Ų87.241%0.41146%0.458SS..Hα-helixtrans-72-43.8178.6-65-53.7125.200111.4D41 S45 K46 V47 I68D41-E43 WeakPolarHBondContact OD1-CA 3.36Å; D41-E43 PolarHBondContact OD1-N 2.94Å; E43-S45 PolarHBondContact O-N 3.18Å; E43-K46 PolarHBondContact O-N 3.33Å; E43-K46 IonicContact OE1-NZ 3.78Å; E43-K46 PolarHBondContact OE1-NZ 3.21Å; E43-K46 IonicContact OE2-NZ 3.54Å; E43-V47 PolarHBondContact O-N 2.87Å; E43-V47 VanDerWaalsContact O-N 3.15Å; E43-I68 HydrophobicContact CB-CG2 3.98Å
44L95Very high95.8Very high63 Ų6385.1 Ų85.133%0.3344%0.438SS..Hα-helixtrans-57.6-40.2171.3-71179.5000111.3D41 K46 V47 A48 I68 V74D41-L44 HydrophobicContact CB-CB 4.02Å; D41-L44 HydrophobicContact CB-CD1 3.84Å; D41-L44 HydrophobicContact CB-CG 4.02Å; D41-L44 PolarHBondContact OD1-N 2.93Å; L44-K46 PolarHBondContact O-N 3.13Å; L44-V47 PolarHBondContact O-N 2.8Å; L44-A48 WeakPolarHBondContact O-CB 3.38Å; L44-A48 PolarHBondContact O-N 3.12Å; L44-I68 HydrophobicContact CD2-CB 4.46Å; L44-I68 HydrophobicContact CD2-CD1 4.09Å; L44-I68 HydrophobicContact CD2-CG2 3.8Å; L44-I68 HydrophobicContact CG-CG2 4.16Å; L44-V74 HydrophobicContact CD2-CB 4.4Å; L44-V74 HydrophobicContact CD2-CG1 3.54Å; L44-V74 HydrophobicContact CD2-CG2 3.91Å
45S94.6Very high95.7Very high31 Ų3182.5 Ų82.522%0.21744%0.437CS..Hα-helixtrans-66.2-37.6179.283.10000113.4D41 E42 E43 V47 A48 G49D41-S45 WeakPolarHBondContact O-CB 3.34Å; D41-S45 PolarHBondContact O-N 2.78Å; D41-S45 VanDerWaalsContact O-N 3.07Å; E42-S45 PolarHBondContact O-N 2.88Å; E42-S45 PolarHBondContact O-OG 3.28Å; E43-S45 PolarHBondContact O-N 3.18Å; S45-V47 VanDerWaalsContact C-N 3.35Å; S45-A48 PolarHBondContact O-N 3.49Å; S45-G49 PolarHBondContact O-N 3.03Å
46K94.2Very high95.6Very high121 Ų12183 Ų8353%0.52644%0.443SS..Hα-helixtrans-63.7-42.7176-72.7167.9-172.2170.70110.9E42 E43 L44 G49 K50E42-K46 WeakPolarHBondContact O-CG 3.35Å; E42-K46 PolarHBondContact O-N 3.05Å; E42-K46 VanDerWaalsContact O-N 3.09Å; E43-K46 PolarHBondContact O-N 3.33Å; E43-K46 IonicContact OE1-NZ 3.78Å; E43-K46 PolarHBondContact OE1-NZ 3.21Å; E43-K46 IonicContact OE2-NZ 3.54Å; L44-K46 PolarHBondContact O-N 3.13Å; K46-G49 PolarHBondContact O-N 3.27Å; K46-K50 WeakPolarHBondContact O-CB 3.36Å; K46-K50 PolarHBondContact O-N 3.07Å
47V94.3Very high95.5Very high28 Ų2883 Ų8317%0.1744%0.438CS..Hα-helixtrans-68-45.2178.6172.50000111.5E43 L44 S45 G49 K50 W51 E64 I68E43-V47 PolarHBondContact O-N 2.87Å; E43-V47 VanDerWaalsContact O-N 3.15Å; L44-V47 PolarHBondContact O-N 2.8Å; S45-V47 VanDerWaalsContact C-N 3.35Å; V47-G49 VanDerWaalsContact C-N 3.32Å; V47-G49 PolarHBondContact O-N 2.84Å; V47-K50 PolarHBondContact O-N 2.85Å; V47-W51 PolarHBondContact O-N 3.19Å; V47-E64 HydrophobicContact CG1-CB 4.45Å; V47-E64 WeakPolarHBondContact CG1-O 3.26Å; V47-I68 HydrophobicContact CB-CD1 3.75Å; V47-I68 HydrophobicContact CG1-CD1 3.96Å; V47-I68 HydrophobicContact CG2-CD1 3.33Å; V47-I68 HydrophobicContact CG2-CG1 4.17Å
48A95.7Very high95.5Very high57 Ų5779.7 Ų79.747%0.47143%0.429SS..Hα-helixtrans-58.3-44.2173.700000111.8L44 S45 W51 A52L44-A48 WeakPolarHBondContact O-CB 3.38Å; L44-A48 PolarHBondContact O-N 3.12Å; S45-A48 PolarHBondContact O-N 3.49Å; A48-W51 PolarHBondContact O-N 2.98Å; A48-A52 WeakPolarHBondContact O-CB 3.24Å; A48-A52 PolarHBondContact O-N 3.35Å
49G95.4Very high95.5Very high42 Ų4282.2 Ų82.243%0.43344%0.439SS..Hα-helixtrans-63.2-44.5176.900000113.4S45 K46 V47 W51 A52 S53S45-G49 PolarHBondContact O-N 3.03Å; K46-G49 PolarHBondContact O-N 3.27Å; V47-G49 VanDerWaalsContact C-N 3.32Å; V47-G49 PolarHBondContact O-N 2.84Å; G49-W51 VanDerWaalsContact C-N 3.31Å; G49-W51 PolarHBondContact O-N 3.18Å; G49-A52 PolarHBondContact O-N 2.99Å; G49-S53 PolarHBondContact O-N 3.12Å
50K95.5Very high95.5Very high114 Ų11475.5 Ų75.550%0.49641%0.409SS..Hα-helixtrans-62.7-36.4175.5-178.8-169.5173.6-146.10112K46 V47 S53 E64K46-K50 WeakPolarHBondContact O-CB 3.36Å; K46-K50 PolarHBondContact O-N 3.07Å; V47-K50 PolarHBondContact O-N 2.85Å; K50-S53 PolarHBondContact O-OG 3.17Å; K50-E64 IonicContact NZ-OE2 3.67Å; K50-E64 PolarHBondContact NZ-OE2 3.1Å
51W96.6Very high95.4Very high15 Ų1575.6 Ų75.66%0.05742%0.416CS..Hα-helixtrans-72-46.9176.3-170.5-110.5000111.5V47 A48 G49 S53 K54 K58 H59 S60 E64V47-W51 PolarHBondContact O-N 3.19Å; A48-W51 PolarHBondContact O-N 2.98Å; G49-W51 VanDerWaalsContact C-N 3.31Å; G49-W51 PolarHBondContact O-N 3.18Å; W51-S53 VanDerWaalsContact C-N 3.25Å; W51-S53 PolarHBondContact O-N 2.73Å; W51-K54 HydrophobicContact CD2-CD 4.43Å; W51-K54 HydrophobicContact CE3-CD 3.79Å; W51-K54 HydrophobicContact CZ3-CD 3.92Å; W51-K54 WeakPolarHBondContact O-CB 3.46Å; W51-K54 PolarHBondContact O-N 3.31Å; W51-K58 HydrophobicContact CZ2-CG 3.93Å; W51-K58 PolarHBondContact NE1-O 3.19Å; W51-H59 WeakPolarHBondContact CZ2-O 3.42Å; W51-S60 VanDerWaalsContact CE2-CA 3.46Å; W51-S60 VanDerWaalsContact CZ2-CA 3.45Å; W51-E64 HydrophobicContact CE3-CG 3.82Å; W51-E64 HydrophobicContact CZ3-CG 3.81Å
52A95.6Very high95.3Very high70 Ų7076.6 Ų76.658%0.57942%0.424SS*.Hα-helixtrans-57.6-37.2177.900000112.5A48 G49 K54 C55A48-A52 WeakPolarHBondContact O-CB 3.24Å; A48-A52 PolarHBondContact O-N 3.35Å; G49-A52 PolarHBondContact O-N 2.99Å; A52-K54 PolarHBondContact O-N 3.22Å; A52-K54 VanDerWaalsContact O-N 3.13Å; A52-C55 PolarHBondContact O-N 3.44Å
53S96.2Very high95.2Very high90 Ų9079.4 Ų79.463%0.62944%0.442SS*.THydrogen-bonded Turntrans-66.1-13178.770.10000114.5G49 K50 W51 C55G49-S53 PolarHBondContact O-N 3.12Å; K50-S53 PolarHBondContact O-OG 3.17Å; W51-S53 VanDerWaalsContact C-N 3.25Å; W51-S53 PolarHBondContact O-N 2.73Å; S53-C55 VanDerWaalsContact C-N 3.26Å
54K96.4Very high95.2Very high88 Ų8876.9 Ų76.938%0.38343%0.43SS..THydrogen-bonded Turntrans-76.8-15.1174.1-62.6-179.8-178.7-1790112.6W51 A52 V56 E64W51-K54 HydrophobicContact CD2-CD 4.43Å; W51-K54 HydrophobicContact CE3-CD 3.79Å; W51-K54 HydrophobicContact CZ3-CD 3.92Å; W51-K54 WeakPolarHBondContact O-CB 3.46Å; W51-K54 PolarHBondContact O-N 3.31Å; A52-K54 PolarHBondContact O-N 3.22Å; A52-K54 VanDerWaalsContact O-N 3.13Å; K54-V56 VanDerWaalsContact C-N 3.25Å; K54-V56 HydrophobicContact CB-CG2 4.31Å; K54-V56 WeakPolarHBondContact O-CG2 3.24Å; K54-V56 PolarHBondContact O-N 2.84Å; K54-E64 IonicContact NZ-OE1 3.99Å; K54-E64 PolarHBondContact NZ-OE1 2.9Å; K54-E64 IonicContact NZ-OE2 3.73Å
55C95Very high95Very high119 Ų11975.4 Ų75.480%0.80442%0.421SS*.  trans55.636.2-178-61.20000113.7A52 S53A52-C55 PolarHBondContact O-N 3.44Å; S53-C55 VanDerWaalsContact C-N 3.26Å
56V95.6Very high94.9Very high70 Ų7077.7 Ų77.742%0.42444%0.436SS..  trans-114.3115.3176.6-172.90000109.6K54 K58K54-V56 VanDerWaalsContact C-N 3.25Å; K54-V56 HydrophobicContact CB-CG2 4.31Å; K54-V56 WeakPolarHBondContact O-CG2 3.24Å; K54-V56 PolarHBondContact O-N 2.84Å; V56-K58 VanDerWaalsContact C-N 3.28Å; V56-K58 HydrophobicContact CG1-CB 4.44Å; V56-K58 HydrophobicContact CG1-CD 3.7Å; V56-K58 HydrophobicContact CG1-CG 3.72Å; V56-K58 PolarHBondContact O-N 3.24Å
57F96.6Very high94.7Very high131 Ų13174 Ų7458%0.57543%0.432SS*.  trans-80.275178.7-169.6-110.6000111.6L78 T80F57-L78 HydrophobicContact CD2-CB 4.34Å; F57-L78 HydrophobicContact CE2-CB 3.7Å; F57-L78 HydrophobicContact CZ-CB 4.32Å; F57-T80 HydrophobicContact CD1-CG2 4.11Å; F57-T80 HydrophobicContact CD2-CG2 3.66Å; F57-T80 HydrophobicContact CE1-CG2 3.97Å; F57-T80 HydrophobicContact CE2-CG2 3.51Å; F57-T80 HydrophobicContact CG-CG2 3.97Å; F57-T80 HydrophobicContact CZ-CG2 3.67Å
58K96.9Very high94.6Very high111 Ų11173.8 Ų73.848%0.48343%0.429SS..SBendtrans-153.2160.4172.175-174.7-175.91730109.6W51 V56 L78W51-K58 HydrophobicContact CZ2-CG 3.93Å; W51-K58 PolarHBondContact NE1-O 3.19Å; V56-K58 VanDerWaalsContact C-N 3.28Å; V56-K58 HydrophobicContact CG1-CB 4.44Å; V56-K58 HydrophobicContact CG1-CD 3.7Å; V56-K58 HydrophobicContact CG1-CG 3.72Å; V56-K58 PolarHBondContact O-N 3.24Å; K58-L78 WeakPolarHBondContact O-CD1 3.15Å
59H97.3Very high94.3Very high107 Ų10774.4 Ų74.450%0.49543%0.425SS..PPolyproline II helixtrans-61.6145.6176.9-77.3-61.2000112.5W51 E76W51-H59 WeakPolarHBondContact CZ2-O 3.42Å; H59-E76 WeakPolarHBondContact CA-OE2 3.35Å; H59-E76 WeakPolarHBondContact CB-OE2 3.31Å; H59-E76 PolarHBondContact CE1-O 3.26Å; H59-E76 VanDerWaalsContact CE1-O 3.27Å; H59-E76 IonicContact CE1-OE2 2.83Å; H59-E76 IonicContact CG-OE2 3.08Å; H59-E76 IonicContact ND1-OE2 2.94Å; H59-E76 PolarHBondContact ND1-OE2 3.29Å
60S96Very high94.1Very high11 Ų1179.9 Ų79.98%0.07744%0.444CS..PPolyproline II helixtrans-63.8148.5173.656.60000111.7W51 Y65 E76W51-S60 VanDerWaalsContact CE2-CA 3.46Å; W51-S60 VanDerWaalsContact CZ2-CA 3.45Å; S60-Y65 WeakPolarHBondContact OG-CD1 3.38Å; S60-E76 VanDerWaalsContact CB-OE1 3.29Å; S60-E76 WeakPolarHBondContact CB-OE1 3.37Å; S60-E76 PolarHBondContact N-OE2 3.39Å; S60-E76 PolarHBondContact OG-OE1 2.84Å
61N93.6Very high93.9Very high90 Ų9079.5 Ų79.548%0.48144%0.444SS..PPolyproline II helixtrans-72.5150.3172.1-65.2-23.1000109D63 E64N61-D63 PolarHBondContact O-N 2.94Å; N61-D63 VanDerWaalsContact O-N 3.11Å; N61-E64 WeakPolarHBondContact O-CB 3.2Å; N61-E64 PolarHBondContact O-N 3.32Å
62T93.1Very high93.4Very high73 Ų7387.1 Ų87.145%0.44848%0.48SS..G310 helixtrans-52.5-36.2178.9-56.10000113.3E64 Y65 C66T62-E64 PolarHBondContact O-N 2.94Å; T62-Y65 HydrophobicContact CG2-CE2 3.95Å; T62-Y65 PolarHBondContact O-N 3.12Å; T62-Y65 VanDerWaalsContact O-N 3.08Å; T62-Y65 PolarHBondContact OG1-OH 3.27Å; T62-C66 HydrophobicContact CG2-CB 4.14Å; T62-C66 WeakPolarHBondContact O-CB 3.41Å; T62-C66 PolarHBondContact O-N 3.08Å
63D92.5Very high93.2Very high148 Ų14887.9 Ų87.979%0.79148%0.482SS*.G310 helixtrans-59.9-18.8177-57.3-29.1000114.2N61N61-D63 PolarHBondContact O-N 2.94Å; N61-D63 VanDerWaalsContact O-N 3.11Å
64E93Very high93.1Very high35 Ų3585.2 Ų85.216%0.16446%0.461CS..G310 helixtrans-77.7-27.7177.5-61.9-72.8175.400112.6V47 K50 W51 K54 N61 T62V47-E64 HydrophobicContact CG1-CB 4.45Å; V47-E64 WeakPolarHBondContact CG1-O 3.26Å; K50-E64 IonicContact NZ-OE2 3.67Å; K50-E64 PolarHBondContact NZ-OE2 3.1Å; W51-E64 HydrophobicContact CE3-CG 3.82Å; W51-E64 HydrophobicContact CZ3-CG 3.81Å; K54-E64 IonicContact NZ-OE1 3.99Å; K54-E64 PolarHBondContact NZ-OE1 2.9Å; K54-E64 IonicContact NZ-OE2 3.73Å; N61-E64 WeakPolarHBondContact O-CB 3.2Å; N61-E64 PolarHBondContact O-N 3.32Å; T62-E64 PolarHBondContact O-N 2.94Å
65Y92Very high93.1Very high33 Ų3383.2 Ų83.213%0.12947%0.465CS..THydrogen-bonded Turntrans-125.2-7.6-175.359.2-107.8000115.4S60 T62 G67 I68 V74S60-Y65 WeakPolarHBondContact OG-CD1 3.38Å; T62-Y65 HydrophobicContact CG2-CE2 3.95Å; T62-Y65 PolarHBondContact O-N 3.12Å; T62-Y65 VanDerWaalsContact O-N 3.08Å; T62-Y65 PolarHBondContact OG1-OH 3.27Å; Y65-G67 PolarHBondContact O-N 3.09Å; Y65-I68 VanDerWaalsContact O-CG1 3.28Å; Y65-I68 WeakPolarHBondContact O-CG1 3.34Å; Y65-I68 PolarHBondContact O-N 3.12Å; Y65-I68 VanDerWaalsContact O-N 3.16Å; Y65-V74 HydrophobicContact CD2-CB 3.83Å; Y65-V74 HydrophobicContact CD2-CG2 4.1Å; Y65-V74 HydrophobicContact CG-CB 3.97Å; Y65-V74 HydrophobicContact CG-CG2 4.37Å
66C90.7Very high93.2Very high79 Ų7979.7 Ų79.753%0.53444%0.437SS..THydrogen-bonded Turntrans-58.3126.7179.5-174.10000110.7T62 I68T62-C66 HydrophobicContact CG2-CB 4.14Å; T62-C66 WeakPolarHBondContact O-CB 3.41Å; T62-C66 PolarHBondContact O-N 3.08Å; C66-I68 VanDerWaalsContact C-N 3.32Å; C66-I68 PolarHBondContact O-N 3.46Å
67G91Very high93.4Very high44 Ų4477.9 Ų77.945%0.45443%0.425SS..THydrogen-bonded Turntrans84.6-2.5177.800000114.9Y65 N69 N70 H71Y65-G67 PolarHBondContact O-N 3.09Å; G67-N69 PolarHBondContact O-N 3.11Å; G67-N69 VanDerWaalsContact O-N 3.14Å; G67-N70 PolarHBondContact O-N 3.44Å; G67-N70 VanDerWaalsContact O-N 3.12Å; G67-H71 PolarHBondContact N-O 2.98Å
68I91Very high93.4Very high22 Ų2273.1 Ų73.111%0.11341%0.405CS..G310 helixtrans-57.8123.8171-64.2172.1000108.4E43 L44 V47 Y65 C66 N70 H71E43-I68 HydrophobicContact CB-CG2 3.98Å; L44-I68 HydrophobicContact CD2-CB 4.46Å; L44-I68 HydrophobicContact CD2-CD1 4.09Å; L44-I68 HydrophobicContact CD2-CG2 3.8Å; L44-I68 HydrophobicContact CG-CG2 4.16Å; V47-I68 HydrophobicContact CB-CD1 3.75Å; V47-I68 HydrophobicContact CG1-CD1 3.96Å; V47-I68 HydrophobicContact CG2-CD1 3.33Å; V47-I68 HydrophobicContact CG2-CG1 4.17Å; Y65-I68 VanDerWaalsContact O-CG1 3.28Å; Y65-I68 WeakPolarHBondContact O-CG1 3.34Å; Y65-I68 PolarHBondContact O-N 3.12Å; Y65-I68 VanDerWaalsContact O-N 3.16Å; C66-I68 VanDerWaalsContact C-N 3.32Å; C66-I68 PolarHBondContact O-N 3.46Å; I68-N70 PolarHBondContact O-N 3.04Å; I68-N70 VanDerWaalsContact O-N 3.07Å; I68-H71 WeakPolarHBondContact O-CB 3.41Å; I68-H71 PolarHBondContact O-N 3.23Å
69N89.5Confident93.3Very high70 Ų7069.6 Ų69.637%0.37440%0.401SS..G310 helixtrans50.132.5-178.7-58.8-34.2000114D41 G67 H71D41-N69 PolarHBondContact OD1-ND2 3.42Å; D41-N69 PolarHBondContact OD2-ND2 3.21Å; G67-N69 PolarHBondContact O-N 3.11Å; G67-N69 VanDerWaalsContact O-N 3.14Å; N69-H71 PolarHBondContact O-N 3Å
70N92.2Very high93.2Very high157 Ų15768.9 Ų68.984%0.8440%0.404SS*.G310 helixtrans62.224.8-175.2-52.1-51.7000114.7G67 I68G67-N70 PolarHBondContact O-N 3.44Å; G67-N70 VanDerWaalsContact O-N 3.12Å; I68-N70 PolarHBondContact O-N 3.04Å; I68-N70 VanDerWaalsContact O-N 3.07Å
71H90.7Very high92.8Very high106 Ų10670.8 Ų70.849%0.49143%0.425SS..  trans-92.9130.4171-64.9-66.4000111.2G67 I68 N69 V74G67-H71 PolarHBondContact N-O 2.98Å; I68-H71 WeakPolarHBondContact O-CB 3.41Å; I68-H71 PolarHBondContact O-N 3.23Å; N69-H71 PolarHBondContact O-N 3Å; H71-V74 HydrophobicContact CB-CG2 4.46Å
72E86.9Confident92.5Very high176 Ų17673.4 Ų73.482%0.82245%0.445SS*.SBendtrans-72.1-22.3173-63.5-176.916800112.2
73S91Very high92.1Very high86 Ų8673 Ų7360%0.60144%0.439SS*.  trans-145.1143.8-178.8-173.60000111.1
74V95.2Very high91.7Very high33 Ų3373.6 Ų73.620%0.244%0.435CS..  trans-130.2130.9176175.40000107.5L44 Y65 H71L44-V74 HydrophobicContact CD2-CB 4.4Å; L44-V74 HydrophobicContact CD2-CG1 3.54Å; L44-V74 HydrophobicContact CD2-CG2 3.91Å; Y65-V74 HydrophobicContact CD2-CB 3.83Å; Y65-V74 HydrophobicContact CD2-CG2 4.1Å; Y65-V74 HydrophobicContact CG-CB 3.97Å; Y65-V74 HydrophobicContact CG-CG2 4.37Å; H71-V74 HydrophobicContact CB-CG2 4.46Å
75G96Very high90.9Very high46 Ų4679 Ų7947%0.47447%0.469SS..  trans-73.8152.6174.400000112.1
76E97.5Very high90.6Very high46 Ų4682.4 Ų82.422%0.21550%0.499CS..  trans-141.2130.5-176-169.4-179-113.700111.2H59 S60 L78H59-E76 WeakPolarHBondContact CA-OE2 3.35Å; H59-E76 WeakPolarHBondContact CB-OE2 3.31Å; H59-E76 PolarHBondContact CE1-O 3.26Å; H59-E76 VanDerWaalsContact CE1-O 3.27Å; H59-E76 IonicContact CE1-OE2 2.83Å; H59-E76 IonicContact CG-OE2 3.08Å; H59-E76 IonicContact ND1-OE2 2.94Å; H59-E76 PolarHBondContact ND1-OE2 3.29Å; S60-E76 VanDerWaalsContact CB-OE1 3.29Å; S60-E76 WeakPolarHBondContact CB-OE1 3.37Å; S60-E76 PolarHBondContact N-OE2 3.39Å; S60-E76 PolarHBondContact OG-OE1 2.84Å; E76-L78 HydrophobicContact CG-CD2 4.08Å; E76-L78 HydrophobicContact CG-CG 4.48Å
77N98.1Very high90.1Very high32 Ų3282 Ų8217%0.17149%0.489CS..  trans-111.9135167.7-77.6-7.2000109.5W106 H128N77-W106 HydrophobicContact CB-CD2 3.8Å; N77-W106 HydrophobicContact CB-CE3 3.82Å; N77-W106 HydrophobicContact CB-CH2 3.77Å; N77-W106 HydrophobicContact CB-CZ2 3.73Å; N77-W106 HydrophobicContact CB-CZ3 3.8Å; N77-H128 PolarHBondContact ND2-O 3.05Å; N77-H128 VanDerWaalsContact ND2-O 3.09Å; N77-H128 WeakPolarHBondContact OD1-CA 3.48Å; N77-H128 PolarHBondContact OD1-CD2 3.3Å
78L97.5Very high89.6Confident30 Ų3085.3 Ų85.316%0.15749%0.493CS..  trans-112143.4179.5-61.4176.3000110.8F57 K58 E76 W106F57-L78 HydrophobicContact CD2-CB 4.34Å; F57-L78 HydrophobicContact CE2-CB 3.7Å; F57-L78 HydrophobicContact CZ-CB 4.32Å; K58-L78 WeakPolarHBondContact O-CD1 3.15Å; E76-L78 HydrophobicContact CG-CD2 4.08Å; E76-L78 HydrophobicContact CG-CG 4.48Å; L78-W106 PolarHBondContact O-NE1 3.49Å
79G95.3Very high89.4Confident38 Ų3887.7 Ų87.739%0.39251%0.505SS..  trans-134.6136176.400000109.8
80T94.2Very high89.2Confident91 Ų9190 Ų9056%0.55852%0.517SS*.  trans-142.2152.7170.8-171.50000109.1F57 H102F57-T80 HydrophobicContact CD1-CG2 4.11Å; F57-T80 HydrophobicContact CD2-CG2 3.66Å; F57-T80 HydrophobicContact CE1-CG2 3.97Å; F57-T80 HydrophobicContact CE2-CG2 3.51Å; F57-T80 HydrophobicContact CG-CG2 3.97Å; F57-T80 HydrophobicContact CZ-CG2 3.67Å; T80-H102 PolarHBondContact O-CE1 3.1Å; T80-H102 VanDerWaalsContact O-CE1 3.3Å
81G88.6Confident89Confident51 Ų5185.6 Ų85.653%0.52650%0.496SS..  trans-150.7146.817800000110.2
82T86.6Confident88.9Confident146 Ų14685.1 Ų85.190%0.89649%0.494SS*.  trans-82.5136.3169.2-54.30000108.7
83M83.9Confident89Confident64 Ų6482.5 Ų82.532%0.31548%0.482SS..  trans-115.8145.6174.6-67.9-173.563.900109.6E87 L89M83-E87 HydrophobicContact CB-CB 4.44Å; M83-E87 HydrophobicContact CE-CB 3.86Å; M83-E87 HydrophobicContact CE-CG 3.47Å; M83-E87 VanDerWaalsContact CE-CG 3.47Å; M83-E87 VanDerWaalsContact CE-O 3.32Å; M83-E87 WeakPolarHBondContact CE-O 3.34Å; M83-L89 HydrophobicContact CE-CD1 4.03Å; M83-L89 HydrophobicContact CE-CD2 3.55Å; M83-L89 HydrophobicContact CE-CG 3.42Å; M83-L89 VanDerWaalsContact CE-CG 3.42Å; M83-L89 HydrophobicContact SD-CD1 3.63Å; M83-L89 HydrophobicContact SD-CD2 4.17Å; M83-L89 HydrophobicContact SD-CG 3.75Å
84F84.2Confident88.9Confident161 Ų16182 Ų8271%0.70647%0.47SS*.  trans-68.3150.3169.1-70.1-77000109.6S86 E87F84-S86 PolarHBondContact O-N 3.34Å; F84-S86 VanDerWaalsContact O-N 3.16Å; F84-E87 HydrophobicContact CB-CB 4.24Å; F84-E87 WeakPolarHBondContact O-CA 3.46Å; F84-E87 VanDerWaalsContact O-CB 3.29Å; F84-E87 WeakPolarHBondContact O-CB 3.33Å; F84-E87 PolarHBondContact O-N 3.12Å
85V77.8Confident88.6Confident147 Ų14782.6 Ų82.689%0.89147%0.474SS*.THydrogen-bonded Turntrans-58.8-29.7176.2179.10000111.7E87V85-E87 VanDerWaalsContact C-N 3.3Å
86S84.1Confident88.4Confident106 Ų10681.1 Ų81.174%0.74146%0.455SS*.THydrogen-bonded Turntrans-74.8-17.7174.152.90000113.8F84 Q88F84-S86 PolarHBondContact O-N 3.34Å; F84-S86 VanDerWaalsContact O-N 3.16Å; S86-Q88 PolarHBondContact O-N 2.95Å
87E82.1Confident88.1Confident69 Ų6983.4 Ų83.432%0.32247%0.468SS..  trans-85.498.8179.2-161.1-175.9167.900108.9M83 F84 V85 K98M83-E87 HydrophobicContact CB-CB 4.44Å; M83-E87 HydrophobicContact CE-CB 3.86Å; M83-E87 HydrophobicContact CE-CG 3.47Å; M83-E87 VanDerWaalsContact CE-CG 3.47Å; M83-E87 VanDerWaalsContact CE-O 3.32Å; M83-E87 WeakPolarHBondContact CE-O 3.34Å; F84-E87 HydrophobicContact CB-CB 4.24Å; F84-E87 WeakPolarHBondContact O-CA 3.46Å; F84-E87 VanDerWaalsContact O-CB 3.29Å; F84-E87 WeakPolarHBondContact O-CB 3.33Å; F84-E87 PolarHBondContact O-N 3.12Å; V85-E87 VanDerWaalsContact C-N 3.3Å; E87-K98 WeakPolarHBondContact OE1-CE 3.44Å; E87-K98 IonicContact OE1-NZ 3.92Å; E87-K98 PolarHBondContact OE1-NZ 3.31Å; E87-K98 IonicContact OE2-NZ 2.78Å
88Q78.7Confident87.8Confident115 Ų11584.7 Ų84.754%0.53747%0.473SS..  trans-96.2133.6178.8-59.8-174.6-17.800109.9S86 N90 Q94S86-Q88 PolarHBondContact O-N 2.95Å; Q88-N90 VanDerWaalsContact C-N 3.32Å; Q88-N90 WeakPolarHBondContact CB-ND2 3.46Å; Q88-N90 PolarHBondContact O-N 3.32Å; Q88-N90 PolarHBondContact OE1-ND2 2.95Å; Q88-Q94 PolarHBondContact O-NE2 2.69Å; Q88-Q94 VanDerWaalsContact O-NE2 3.12Å; Q88-Q94 PolarHBondContact O-OE1 3.28Å
89L86.7Confident87.6Confident71 Ų7185.7 Ų85.737%0.37248%0.478SS..  trans-91.964.3170.6-65.2-179.1000110M83 Q94 V95 K98M83-L89 HydrophobicContact CE-CD1 4.03Å; M83-L89 HydrophobicContact CE-CD2 3.55Å; M83-L89 HydrophobicContact CE-CG 3.42Å; M83-L89 VanDerWaalsContact CE-CG 3.42Å; M83-L89 HydrophobicContact SD-CD1 3.63Å; M83-L89 HydrophobicContact SD-CD2 4.17Å; M83-L89 HydrophobicContact SD-CG 3.75Å; L89-Q94 HydrophobicContact CD2-CB 3.88Å; L89-V95 HydrophobicContact CB-CG2 4.1Å; L89-K98 HydrophobicContact CD2-CG 3.85Å
90N86.3Confident87.5Confident119 Ų11985.7 Ų85.764%0.63647%0.47SS*.  trans-93.4-16.1-174.3-65.7-15.1000113.2Q88Q88-N90 VanDerWaalsContact C-N 3.32Å; Q88-N90 WeakPolarHBondContact CB-ND2 3.46Å; Q88-N90 PolarHBondContact O-N 3.32Å; Q88-N90 PolarHBondContact OE1-ND2 2.95Å
91T88.4Confident87.6Confident65 Ų6584 Ų8440%0.39946%0.46SS..SBendtrans-113.4150.2179760000110.9E93 Q94 V95T91-E93 PolarHBondContact O-N 3.1Å; T91-Q94 PolarHBondContact O-N 3.37Å; T91-Q94 VanDerWaalsContact OG1-CG 3.26Å; T91-Q94 WeakPolarHBondContact OG1-CG 2.96Å; T91-Q94 PolarHBondContact OG1-N 3.15Å; T91-Q94 PolarHBondContact OG1-OE1 3.28Å; T91-V95 PolarHBondContact O-N 2.93Å
92E87.5Confident87.9Confident95 Ų9583.5 Ų83.544%0.44444%0.444SS..Hα-helixtrans-58.7-36.4174.5-171.1175.7-175.200111.3L6 Q94 V95 I96L6-E92 PolarHBondContact N-OE1 2.9Å; E92-Q94 PolarHBondContact O-N 3.47Å; E92-V95 PolarHBondContact O-N 2.97Å; E92-I96 HydrophobicContact CG-CD1 3.84Å; E92-I96 HydrophobicContact CG-CG1 4.32Å; E92-I96 WeakPolarHBondContact O-CB 3.26Å; E92-I96 VanDerWaalsContact O-CG1 3.24Å; E92-I96 WeakPolarHBondContact O-CG1 3.28Å; E92-I96 PolarHBondContact O-N 3.09Å
93E88.5Confident88.5Confident121 Ų12176.7 Ų76.757%0.56540%0.402SS*.Hα-helixtrans-58.9-44.1176.2-175.7177.2-173.400112.5T91 V95 I96 D97T91-E93 PolarHBondContact O-N 3.1Å; E93-V95 VanDerWaalsContact C-N 3.35Å; E93-V95 PolarHBondContact O-N 3.31Å; E93-I96 PolarHBondContact O-N 3.41Å; E93-D97 WeakPolarHBondContact O-CB 3.49Å; E93-D97 PolarHBondContact O-N 3.2Å
94Q89.6Confident89.1Confident76 Ų7675.6 Ų75.636%0.35540%0.399SS..Hα-helixtrans-64.9-39.5177.4-70.7167.5-37.600111.9Q88 L89 T91 E92 D97 K98Q88-Q94 PolarHBondContact O-NE2 2.69Å; Q88-Q94 VanDerWaalsContact O-NE2 3.12Å; Q88-Q94 PolarHBondContact O-OE1 3.28Å; L89-Q94 HydrophobicContact CD2-CB 3.88Å; T91-Q94 PolarHBondContact O-N 3.37Å; T91-Q94 VanDerWaalsContact OG1-CG 3.26Å; T91-Q94 WeakPolarHBondContact OG1-CG 2.96Å; T91-Q94 PolarHBondContact OG1-N 3.15Å; T91-Q94 PolarHBondContact OG1-OE1 3.28Å; E92-Q94 PolarHBondContact O-N 3.47Å; Q94-D97 PolarHBondContact O-N 3.48Å; Q94-K98 PolarHBondContact O-N 2.9Å
95V90.1Very high89.8Confident46 Ų4672 Ų7228%0.27939%0.387SS..Hα-helixtrans-66.7-42.9176.1-178.30000110.6L6 L89 T91 E92 E93 D97 K98 L99L6-V95 HydrophobicContact CD1-CG1 4.07Å; L6-V95 HydrophobicContact CD2-CG1 4.47Å; L89-V95 HydrophobicContact CB-CG2 4.1Å; T91-V95 PolarHBondContact O-N 2.93Å; E92-V95 PolarHBondContact O-N 2.97Å; E93-V95 VanDerWaalsContact C-N 3.35Å; E93-V95 PolarHBondContact O-N 3.31Å; V95-D97 PolarHBondContact O-N 3.46Å; V95-K98 PolarHBondContact O-N 2.86Å; V95-L99 HydrophobicContact CG1-CD1 4.01Å; V95-L99 WeakPolarHBondContact O-CG 3.18Å; V95-L99 PolarHBondContact O-N 2.91Å
96I91.6Very high90.8Very high14 Ų1466.8 Ų66.87%0.07235%0.351CS..Hα-helixtrans-58.7-47.6175.6-71.8164.1000110.4L6 H9 E92 E93 K98 L99 V100L6-I96 HydrophobicContact CD1-CB 4.39Å; L6-I96 HydrophobicContact CD1-CG1 3.44Å; L6-I96 VanDerWaalsContact CD1-CG1 3.44Å; H9-I96 HydrophobicContact CB-CG1 4.47Å; H9-I96 HydrophobicContact CB-CG2 3.83Å; E92-I96 HydrophobicContact CG-CD1 3.84Å; E92-I96 HydrophobicContact CG-CG1 4.32Å; E92-I96 WeakPolarHBondContact O-CB 3.26Å; E92-I96 VanDerWaalsContact O-CG1 3.24Å; E92-I96 WeakPolarHBondContact O-CG1 3.28Å; E92-I96 PolarHBondContact O-N 3.09Å; E93-I96 PolarHBondContact O-N 3.41Å; I96-K98 VanDerWaalsContact C-N 3.34Å; I96-K98 PolarHBondContact O-N 3.32Å; I96-L99 PolarHBondContact O-N 2.94Å; I96-V100 HydrophobicContact CG2-CG2 4.11Å; I96-V100 WeakPolarHBondContact O-CB 3.38Å; I96-V100 WeakPolarHBondContact O-CG2 3.4Å; I96-V100 PolarHBondContact O-N 2.94Å
97D91.3Very high91.5Very high94 Ų9462 Ų6250%0.50332%0.317SS..Hα-helixtrans-57.6-45.5-179.9179.670.9000112E93 Q94 V95 V100 T101E93-D97 WeakPolarHBondContact O-CB 3.49Å; E93-D97 PolarHBondContact O-N 3.2Å; Q94-D97 PolarHBondContact O-N 3.48Å; V95-D97 PolarHBondContact O-N 3.46Å; D97-V100 PolarHBondContact O-N 3.35Å; D97-T101 WeakPolarHBondContact O-CB 3.32Å; D97-T101 PolarHBondContact O-N 2.74Å; D97-T101 PolarHBondContact O-OG1 2.96Å
98K91.6Very high92.2Very high59 Ų5961.8 Ų61.826%0.25732%0.318SS..Hα-helixtrans-63.2-44.5175.7-68-54.4-173.9-171.20112.9E87 L89 Q94 V95 I96 T101 H102E87-K98 WeakPolarHBondContact OE1-CE 3.44Å; E87-K98 IonicContact OE1-NZ 3.92Å; E87-K98 PolarHBondContact OE1-NZ 3.31Å; E87-K98 IonicContact OE2-NZ 2.78Å; L89-K98 HydrophobicContact CD2-CG 3.85Å; Q94-K98 PolarHBondContact O-N 2.9Å; V95-K98 PolarHBondContact O-N 2.86Å; I96-K98 VanDerWaalsContact C-N 3.34Å; I96-K98 PolarHBondContact O-N 3.32Å; K98-T101 WeakPolarHBondContact O-CB 3.04Å; K98-T101 PolarHBondContact O-N 3.49Å; K98-H102 PolarHBondContact O-CD2 3.25Å; K98-H102 PolarHBondContact O-N 3.21Å
99L92.5Very high93.2Very high51 Ų5157.8 Ų57.827%0.26730%0.299SS..Hα-helixtrans-64.8-43.7178.8-71.3168.5000111.8L6 M10 V95 I96 T101 H102 I103L6-L99 HydrophobicContact CD1-CD1 3.37Å; L6-L99 HydrophobicContact CD2-CD1 3.82Å; L6-L99 HydrophobicContact CG-CD1 3.73Å; M10-L99 HydrophobicContact CG-CD1 4.38Å; M10-L99 HydrophobicContact SD-CD1 4.08Å; V95-L99 HydrophobicContact CG1-CD1 4.01Å; V95-L99 WeakPolarHBondContact O-CG 3.18Å; V95-L99 PolarHBondContact O-N 2.91Å; I96-L99 PolarHBondContact O-N 2.94Å; L99-T101 VanDerWaalsContact C-N 3.29Å; L99-T101 PolarHBondContact O-N 3.15Å; L99-H102 PolarHBondContact O-N 3.37Å; L99-I103 WeakPolarHBondContact O-CG1 3.49Å; L99-I103 PolarHBondContact O-N 3.17Å
100V94.2Very high93.7Very high38 Ų3855.1 Ų55.123%0.2329%0.285CS..Hα-helixtrans-63.3-37.9175.8171.40000110.9T13 I96 D97 I103 T104T13-V100 HydrophobicContact CG2-CG1 4.25Å; I96-V100 HydrophobicContact CG2-CG2 4.11Å; I96-V100 WeakPolarHBondContact O-CB 3.38Å; I96-V100 WeakPolarHBondContact O-CG2 3.4Å; I96-V100 PolarHBondContact O-N 2.94Å; D97-V100 PolarHBondContact O-N 3.35Å; V100-I103 PolarHBondContact O-N 3.4Å; V100-T104 VanDerWaalsContact O-CB 3.31Å; V100-T104 WeakPolarHBondContact O-CB 3.33Å; V100-T104 PolarHBondContact O-N 3.3Å; V100-T104 PolarHBondContact O-OG1 3.02Å
101T94.9Very high94.3Very high56 Ų5654.7 Ų54.734%0.34428%0.279SS..Hα-helixtrans-60.1-46173.3-64.20000111.3D97 K98 L99 T104 N105D97-T101 WeakPolarHBondContact O-CB 3.32Å; D97-T101 PolarHBondContact O-N 2.74Å; D97-T101 PolarHBondContact O-OG1 2.96Å; K98-T101 WeakPolarHBondContact O-CB 3.04Å; K98-T101 PolarHBondContact O-N 3.49Å; L99-T101 VanDerWaalsContact C-N 3.29Å; L99-T101 PolarHBondContact O-N 3.15Å; T101-T104 PolarHBondContact O-N 2.84Å; T101-N105 WeakPolarHBondContact O-CB 3.43Å; T101-N105 PolarHBondContact O-N 3.49Å; T101-N105 PolarHBondContact O-ND2 3.49Å
102H96.1Very high94.8Very high40 Ų4052.7 Ų52.719%0.18527%0.266CS..Hα-helixtrans-62.8-45.2176.6-73.7-58.2000112.8T80 K98 L99 T104 N105 W106T80-H102 PolarHBondContact O-CE1 3.1Å; T80-H102 VanDerWaalsContact O-CE1 3.3Å; K98-H102 PolarHBondContact O-CD2 3.25Å; K98-H102 PolarHBondContact O-N 3.21Å; L99-H102 PolarHBondContact O-N 3.37Å; H102-T104 VanDerWaalsContact C-N 3.29Å; H102-T104 PolarHBondContact O-N 3.16Å; H102-N105 PolarHBondContact O-N 3.45Å; H102-W106 HydrophobicContact CB-CZ2 4.47Å; H102-W106 VanDerWaalsContact O-CG 3.24Å; H102-W106 PolarHBondContact O-N 3.22Å
103I97.9Very high95.3Very high3 Ų350 Ų502%0.01525%0.252CS..Hα-helixtrans-62.5-38.9177-60.5163.3000110.9M10 T13 F17 L99 V100 W106 F107M10-I103 HydrophobicContact CB-CD1 4.11Å; M10-I103 HydrophobicContact CG-CD1 4.22Å; T13-I103 HydrophobicContact CG2-CB 4.03Å; T13-I103 HydrophobicContact CG2-CD1 4.47Å; T13-I103 HydrophobicContact CG2-CG2 3.65Å; F17-I103 HydrophobicContact CD2-CG2 4.15Å; F17-I103 HydrophobicContact CE2-CG2 4.08Å; L99-I103 WeakPolarHBondContact O-CG1 3.49Å; L99-I103 PolarHBondContact O-N 3.17Å; V100-I103 PolarHBondContact O-N 3.4Å; I103-W106 HydrophobicContact CB-CE3 4.36Å; I103-W106 HydrophobicContact CG1-CE3 4.11Å; I103-W106 HydrophobicContact CG1-CZ3 3.92Å; I103-W106 PolarHBondContact O-N 2.88Å; I103-F107 PolarHBondContact O-N 2.88Å
104T97.8Very high95.8Very high41 Ų4147.7 Ų47.725%0.25224%0.243SC..Hα-helixtrans-65.4-42.6176.2-57.60000111.3F17 V100 T101 H102 W106 F107 N108F17-T104 HydrophobicContact CZ-CG2 4.07Å; V100-T104 VanDerWaalsContact O-CB 3.31Å; V100-T104 WeakPolarHBondContact O-CB 3.33Å; V100-T104 PolarHBondContact O-N 3.3Å; V100-T104 PolarHBondContact O-OG1 3.02Å; T101-T104 PolarHBondContact O-N 2.84Å; H102-T104 VanDerWaalsContact C-N 3.29Å; H102-T104 PolarHBondContact O-N 3.16Å; T104-W106 PolarHBondContact O-N 3.42Å; T104-F107 PolarHBondContact O-N 3.4Å; T104-N108 WeakPolarHBondContact O-CB 3.26Å; T104-N108 PolarHBondContact O-N 3.15Å; T104-N108 PolarHBondContact O-ND2 2.97Å; T104-N108 PolarHBondContact O-OD1 3.23Å
105N97.8Very high96.1Very high85 Ų8549.9 Ų49.946%0.45525%0.25SC..Hα-helixtrans-62.8-42176.5-71.3-18.9000112.1T101 H102 F107 N108T101-N105 WeakPolarHBondContact O-CB 3.43Å; T101-N105 PolarHBondContact O-N 3.49Å; T101-N105 PolarHBondContact O-ND2 3.49Å; H102-N105 PolarHBondContact O-N 3.45Å; N105-F107 VanDerWaalsContact C-N 3.34Å; N105-N108 PolarHBondContact O-N 2.97Å
106W98.5Very high96.4Very high39 Ų3955.5 Ų55.515%0.14827%0.272CS..Hα-helixtrans-58.4-46.9172.9-64.1-24.4000111.6N77 L78 H102 I103 T104 E109 H128 Y129 V132N77-W106 HydrophobicContact CB-CD2 3.8Å; N77-W106 HydrophobicContact CB-CE3 3.82Å; N77-W106 HydrophobicContact CB-CH2 3.77Å; N77-W106 HydrophobicContact CB-CZ2 3.73Å; N77-W106 HydrophobicContact CB-CZ3 3.8Å; L78-W106 PolarHBondContact O-NE1 3.49Å; H102-W106 HydrophobicContact CB-CZ2 4.47Å; H102-W106 VanDerWaalsContact O-CG 3.24Å; H102-W106 PolarHBondContact O-N 3.22Å; I103-W106 HydrophobicContact CB-CE3 4.36Å; I103-W106 HydrophobicContact CG1-CE3 4.11Å; I103-W106 HydrophobicContact CG1-CZ3 3.92Å; I103-W106 PolarHBondContact O-N 2.88Å; T104-W106 PolarHBondContact O-N 3.42Å; W106-E109 WeakPolarHBondContact O-CG 3.28Å; W106-E109 PolarHBondContact O-N 3.42Å; W106-H128 HydrophobicContact CB-CB 3.53Å; W106-H128 VanDerWaalsContact CD1-CB 3.5Å; W106-H128 AromaticContact CD1-CD2 3.87Å; W106-H128 AromaticContact CD1-CG 3.48Å; W106-H128 VanDerWaalsContact CD1-CG 3.48Å; W106-H128 AromaticContact CD1-ND1 3.82Å; W106-H128 HydrophobicContact CG-CB 3.59Å; W106-H128 AromaticContact NE1-CD2 3.93Å; W106-Y129 VanDerWaalsContact O-CA 3.26Å; W106-Y129 WeakPolarHBondContact O-CA 3.44Å; W106-Y129 WeakPolarHBondContact O-CB 3.34Å; W106-Y129 PolarHBondContact O-N 2.8Å; W106-V132 HydrophobicContact CB-CG2 3.94Å; W106-V132 HydrophobicContact CE3-CG2 4.46Å
107F98.6Very high96.7Very high6 Ų658.8 Ų58.83%0.02629%0.293CS..Hα-helixtrans-64.7-40.9179.5-175.1-107.9000112.6F17 V26 I103 T104 N105 E109 H110 Y129 V132F17-F107 HydrophobicContact CB-CD1 4.24Å; F17-F107 HydrophobicContact CB-CD2 3.56Å; F17-F107 HydrophobicContact CB-CE1 4.22Å; F17-F107 HydrophobicContact CB-CE2 3.55Å; F17-F107 HydrophobicContact CB-CG 3.88Å; F17-F107 HydrophobicContact CB-CZ 3.86Å; F17-F107 HydrophobicContact CD1-CB 4.46Å; F17-F107 AromaticContact CD1-CD1 3.42Å; F17-F107 HydrophobicContact CD1-CD1 3.42Å; F17-F107 VanDerWaalsContact CD1-CD1 3.42Å; F17-F107 HydrophobicContact CD1-CD2 4.33Å; F17-F107 AromaticContact CD1-CE1 3.52Å; F17-F107 HydrophobicContact CD1-CE1 3.52Å; F17-F107 HydrophobicContact CD1-CE2 4.42Å; F17-F107 AromaticContact CD1-CG 3.81Å; F17-F107 HydrophobicContact CD1-CG 3.81Å; F17-F107 HydrophobicContact CD1-CZ 4.01Å; F17-F107 HydrophobicContact CD2-CB 3.74Å; F17-F107 HydrophobicContact CD2-CD1 4.23Å; F17-F107 HydrophobicContact CD2-CD2 4.25Å; F17-F107 AromaticContact CD2-CG 3.82Å; F17-F107 HydrophobicContact CD2-CG 3.82Å; F17-F107 AromaticContact CE1-CD1 3.73Å; F17-F107 HydrophobicContact CE1-CD1 3.73Å; F17-F107 HydrophobicContact CE1-CE1 4.12Å; F17-F107 HydrophobicContact CE1-CG 4.3Å; F17-F107 HydrophobicContact CE2-CB 3.92Å; F17-F107 HydrophobicContact CE2-CD1 4.47Å; F17-F107 HydrophobicContact CE2-CG 4.28Å; F17-F107 HydrophobicContact CG-CB 4.05Å; F17-F107 AromaticContact CG-CD1 3.72Å; F17-F107 HydrophobicContact CG-CD1 3.72Å; F17-F107 AromaticContact CG-CD2 3.82Å; F17-F107 HydrophobicContact CG-CD2 3.82Å; F17-F107 HydrophobicContact CG-CE1 4.02Å; F17-F107 HydrophobicContact CG-CE2 4.12Å; F17-F107 AromaticContact CG-CG 3.57Å; F17-F107 HydrophobicContact CG-CG 3.57Å; F17-F107 HydrophobicContact CG-CZ 4.17Å; F17-F107 HydrophobicContact CZ-CB 4.38Å; F17-F107 HydrophobicContact CZ-CD1 4.26Å; V26-F107 HydrophobicContact CG1-CZ 4.19Å; V26-F107 HydrophobicContact CG2-CE1 4.23Å; V26-F107 HydrophobicContact CG2-CZ 3.57Å; I103-F107 PolarHBondContact O-N 2.88Å; T104-F107 PolarHBondContact O-N 3.4Å; N105-F107 VanDerWaalsContact C-N 3.34Å; F107-E109 PolarHBondContact O-N 3.4Å; F107-H110 AromaticContact CD1-CD2 3.85Å; F107-H110 AromaticContact CE1-CD2 3.77Å; F107-H110 WeakPolarHBondContact O-CB 3.43Å; F107-H110 PolarHBondContact O-CD2 3.32Å; F107-H110 PolarHBondContact O-N 2.88Å; F107-Y129 AromaticContact CD2-CD2 3.91Å; F107-Y129 HydrophobicContact CD2-CD2 3.91Å; F107-Y129 HydrophobicContact CD2-CE2 4.03Å; F107-Y129 HydrophobicContact CE2-CD2 4.22Å; F107-Y129 AromaticContact CE2-CE2 3.84Å; F107-Y129 HydrophobicContact CE2-CE2 3.84Å; F107-Y129 VanDerWaalsContact O-CD2 3.32Å; F107-Y129 WeakPolarHBondContact O-CD2 3.3Å; F107-V132 HydrophobicContact CB-CG1 4.43Å; F107-V132 HydrophobicContact CD2-CG1 3.89Å
108N98.3Very high97Very high63 Ų6360.1 Ų60.134%0.33730%0.299SS..Hα-helixtrans-62.7-14.1-178.2-72.1-13000113.9T104 N105 H110 E111T104-N108 WeakPolarHBondContact O-CB 3.26Å; T104-N108 PolarHBondContact O-N 3.15Å; T104-N108 PolarHBondContact O-ND2 2.97Å; T104-N108 PolarHBondContact O-OD1 3.23Å; N105-N108 PolarHBondContact O-N 2.97Å; N108-H110 PolarHBondContact O-N 3.3Å; N108-E111 PolarHBondContact O-N 3.48Å; N108-E111 VanDerWaalsContact O-N 3.09Å
109E98.6Very high97.3Very high31 Ų3159.8 Ų59.815%0.14531%0.305CS..G310 helixtrans-60.6-13.5169.1-51.6-179.9153.300112.4W106 F107 E111 D112 Y113 K125 C126 G127 H128 Y129W106-E109 WeakPolarHBondContact O-CG 3.28Å; W106-E109 PolarHBondContact O-N 3.42Å; F107-E109 PolarHBondContact O-N 3.4Å; E109-E111 PolarHBondContact O-N 2.89Å; E109-E111 VanDerWaalsContact O-N 3.11Å; E109-D112 PolarHBondContact O-N 2.63Å; E109-Y113 PolarHBondContact O-N 2.83Å; E109-Y113 VanDerWaalsContact O-N 3.16Å; E109-K125 VanDerWaalsContact CD-O 3.3Å; E109-C126 HydrophobicContact CB-CB 4.17Å; E109-C126 WeakPolarHBondContact OE2-CA 2.91Å; E109-G127 PolarHBondContact OE2-N 3.4Å; E109-H128 IonicContact OE1-CE1 2.67Å; E109-H128 IonicContact OE1-CG 2.67Å; E109-H128 IonicContact OE1-ND1 2.79Å; E109-H128 PolarHBondContact OE1-ND1 2.98Å; E109-H128 WeakPolarHBondContact OE2-CA 3.07Å; E109-H128 VanDerWaalsContact OE2-CB 3.28Å; E109-H128 WeakPolarHBondContact OE2-CB 3.29Å; E109-H128 IonicContact OE2-CG 2.6Å; E109-H128 PolarHBondContact OE2-N 2.86Å; E109-H128 IonicContact OE2-ND1 3.94Å; E109-Y129 PolarHBondContact OE2-N 3.42Å; E109-Y129 VanDerWaalsContact OE2-N 3.1Å
110H98.3Very high97.5Very high15 Ų1559.3 Ų59.37%0.06931%0.305CS..G310 helixtrans-54.2-26.7170.182.473.9000113.2V26 Q29 F107 N108 D112 Y113 Y129V26-H110 HydrophobicContact CG1-CB 4.2Å; V26-H110 WeakPolarHBondContact CG1-ND1 3.44Å; Q29-H110 HydrophobicContact CG-CB 4.24Å; Q29-H110 PolarHBondContact NE2-O 3.38Å; F107-H110 AromaticContact CD1-CD2 3.85Å; F107-H110 AromaticContact CE1-CD2 3.77Å; F107-H110 WeakPolarHBondContact O-CB 3.43Å; F107-H110 PolarHBondContact O-CD2 3.32Å; F107-H110 PolarHBondContact O-N 2.88Å; N108-H110 PolarHBondContact O-N 3.3Å; H110-D112 VanDerWaalsContact C-N 3.26Å; H110-D112 PolarHBondContact O-N 3.22Å; H110-Y113 PolarHBondContact O-N 3.25Å; H110-Y129 HydrophobicContact CB-CD1 4.03Å; H110-Y129 HydrophobicContact CB-CD2 3.51Å; H110-Y129 HydrophobicContact CB-CE1 3.88Å; H110-Y129 HydrophobicContact CB-CE2 3.36Å; H110-Y129 HydrophobicContact CB-CG 3.85Å
111E98.2Very high97.7Very high111 Ų11163.1 Ų63.152%0.51932%0.316SS..G310 helixtrans-67-34.1177.7-65.2-172.6177.900110.9N108 E109 R121N108-E111 PolarHBondContact O-N 3.48Å; N108-E111 VanDerWaalsContact O-N 3.09Å; E109-E111 PolarHBondContact O-N 2.89Å; E109-E111 VanDerWaalsContact O-N 3.11Å; E111-R121 PolarHBondContact O-NE 2.85Å; E111-R121 PolarHBondContact O-NH2 3.02Å
112D98.3Very high97.9Very high22 Ų2266.9 Ų66.912%0.11834%0.341CS..THydrogen-bonded Turntrans-91-10.3-179.5-72.6-42.9000112.8E109 H110 C120 R121 K124E109-D112 PolarHBondContact O-N 2.63Å; H110-D112 VanDerWaalsContact C-N 3.26Å; H110-D112 PolarHBondContact O-N 3.22Å; D112-C120 CarbonylContact O-C 3.46Å; D112-C120 VanDerWaalsContact O-CA 3.32Å; D112-C120 WeakPolarHBondContact O-CA 3.34Å; D112-R121 HydrophobicContact CB-CB 4.48Å; D112-R121 HydrophobicContact CB-CG 4.46Å; D112-R121 PolarHBondContact O-N 2.9Å; D112-R121 WeakPolarHBondContact OD1-CD 3.31Å; D112-R121 IonicContact OD1-CZ 3.48Å; D112-R121 IonicContact OD1-NE 3.71Å; D112-R121 PolarHBondContact OD1-NE 3.45Å; D112-R121 IonicContact OD1-NH1 3.34Å; D112-R121 PolarHBondContact OD1-NH1 3.48Å; D112-R121 IonicContact OD1-NH2 2.74Å; D112-R121 PolarHBondContact OD1-NH2 3.16Å; D112-R121 VanDerWaalsContact OD1-NH2 3.08Å; D112-K124 HydrophobicContact CB-CB 3.79Å; D112-K124 HydrophobicContact CB-CG 3.96Å; D112-K124 VanDerWaalsContact CG-CG 3.48Å; D112-K124 WeakPolarHBondContact OD2-CD 3.44Å; D112-K124 VanDerWaalsContact OD2-CE 3.24Å; D112-K124 WeakPolarHBondContact OD2-CE 2.97Å; D112-K124 WeakPolarHBondContact OD2-CG 3.47Å; D112-K124 IonicContact OD2-NZ 3.38Å; D112-K124 PolarHBondContact OD2-NZ 2.74Å
113Y98.6Very high97.9Very high38 Ų3869 Ų6915%0.14937%0.374CS..EExtended strand (participates in β ladder)trans-89.7131.1-179.5-172.9-108.7000113.2Q29 E109 H110 Y115 L118 C126 Y129 T130Q29-Y113 PolarHBondContact NE2-O 3.22Å; E109-Y113 PolarHBondContact O-N 2.83Å; E109-Y113 VanDerWaalsContact O-N 3.16Å; H110-Y113 PolarHBondContact O-N 3.25Å; Y113-Y115 HydrophobicContact CE1-CD2 4.31Å; Y113-L118 WeakPolarHBondContact OH-CD2 3.43Å; Y113-C126 HydrophobicContact CD2-CB 3.83Å; Y113-C126 HydrophobicContact CG-CB 4.26Å; Y113-Y129 HydrophobicContact CD1-CD1 4.05Å; Y113-Y129 AromaticContact CD1-CE1 3.55Å; Y113-Y129 HydrophobicContact CD1-CE1 3.55Å; Y113-Y129 HydrophobicContact CE1-CE1 4.25Å; Y113-Y129 AromaticContact CG-CD1 3.96Å; Y113-Y129 HydrophobicContact CG-CD1 3.96Å; Y113-Y129 AromaticContact CG-CE1 3.94Å; Y113-Y129 HydrophobicContact CG-CE1 3.94Å; Y113-T130 HydrophobicContact CD2-CG2 4.06Å; Y113-T130 HydrophobicContact CE1-CG2 4.37Å; Y113-T130 HydrophobicContact CE2-CG2 3.67Å
114N98.1Very high97.9Very high73 Ų7374 Ų7439%0.3940%0.395SS..EExtended strand (participates in β ladder)trans-108110.2171.3-177.4-20.6000110.1H116 T117 L118 S119N114-H116 VanDerWaalsContact C-N 3.31Å; N114-H116 PolarHBondContact O-N 2.93Å; N114-H116 WeakPolarHBondContact OD1-CB 3.4Å; N114-H116 PolarHBondContact OD1-N 3.26Å; N114-T117 WeakPolarHBondContact CB-OG1 3.32Å; N114-T117 VanDerWaalsContact CG-OG1 3.25Å; N114-T117 PolarHBondContact O-N 2.75Å; N114-T117 PolarHBondContact OD1-N 2.85Å; N114-L118 WeakPolarHBondContact O-CA 3.33Å; N114-L118 PolarHBondContact O-N 2.95Å; N114-S119 PolarHBondContact N-O 3.11Å; N114-S119 PolarHBondContact O-N 2.03Å
115Y97.3Very high97.8Very high123 Ų12379.9 Ų79.948%0.48242%0.417SS..THydrogen-bonded Turntrans-63.1-33.8179.8-174.2-84.4000113.3P30 Y113 L118P30-Y115 HydrophobicContact CG-CD1 3.6Å; P30-Y115 HydrophobicContact CG-CD2 3.61Å; P30-Y115 HydrophobicContact CG-CE1 3.87Å; P30-Y115 HydrophobicContact CG-CE2 3.88Å; P30-Y115 HydrophobicContact CG-CG 3.46Å; P30-Y115 VanDerWaalsContact CG-CG 3.46Å; Y113-Y115 HydrophobicContact CE1-CD2 4.31Å; Y115-L118 VanDerWaalsContact O-CD2 3.32Å; Y115-L118 WeakPolarHBondContact O-CD2 3.48Å
116H96.7Very high97.8Very high164 Ų16476 Ų7676%0.75940%0.397SS*.THydrogen-bonded Turntrans-73.7-31.1-176.6-63.5-13.4000112.8N114N114-H116 VanDerWaalsContact C-N 3.31Å; N114-H116 PolarHBondContact O-N 2.93Å; N114-H116 WeakPolarHBondContact OD1-CB 3.4Å; N114-H116 PolarHBondContact OD1-N 3.26Å
117T97.3Very high97.8Very high82 Ų8276.3 Ų76.350%0.50341%0.413SS..THydrogen-bonded Turntrans-99.9-4.1177.861.10000113N114 S119N114-T117 WeakPolarHBondContact CB-OG1 3.32Å; N114-T117 VanDerWaalsContact CG-OG1 3.25Å; N114-T117 PolarHBondContact O-N 2.75Å; N114-T117 PolarHBondContact OD1-N 2.85Å; T117-S119 PolarHBondContact O-N 3.28Å; T117-S119 PolarHBondContact OG1-OG 3.36Å
118L97.3Very high97.8Very high122 Ų12278.3 Ų78.364%0.63942%0.422SS*.THydrogen-bonded Turntrans51.339.4-174.8-57.4175.9000112.5Y113 N114 Y115Y113-L118 WeakPolarHBondContact OH-CD2 3.43Å; N114-L118 WeakPolarHBondContact O-CA 3.33Å; N114-L118 PolarHBondContact O-N 2.95Å; Y115-L118 VanDerWaalsContact O-CD2 3.32Å; Y115-L118 WeakPolarHBondContact O-CD2 3.48Å
119S97.8Very high97.8Very high53 Ų5375.9 Ų75.937%0.37141%0.408SS..EExtended strand (participates in β ladder)trans-140.6154.6-17273.20000112.2N114 T117N114-S119 PolarHBondContact N-O 3.11Å; N114-S119 PolarHBondContact O-N 2.03Å; T117-S119 PolarHBondContact O-N 3.28Å; T117-S119 PolarHBondContact OG1-OG 3.36Å
120C97.9Very high97.8Very high41 Ų4178.1 Ų78.128%0.27742%0.424SS..EExtended strand (participates in β ladder)trans-83157.4168.5-62.90000111.5D112 K124 C126D112-C120 CarbonylContact O-C 3.46Å; D112-C120 VanDerWaalsContact O-CA 3.32Å; D112-C120 WeakPolarHBondContact O-CA 3.34Å; C120-K124 HydrophobicContact CB-CB 4.33Å; C120-C126 VanDerWaalsContact CA-SG 3.51Å; C120-C126 HydrophobicContact CB-CB 4.43Å; C120-C126 WeakPolarHBondContact CB-SG 3.32Å; C120-C126 VanDerWaalsContact SG-CA 3.54Å; C120-C126 WeakPolarHBondContact SG-CB 2.9Å; C120-C126 PolarHBondContact SG-N 3.44Å; C120-C126 CovalentContact SG-SG 2.03Å; C120-C126 PolarHBondContact SG-SG 3.05Å
121R97.8Very high97.8Very high118 Ų11882.1 Ų82.145%0.44544%0.442SS..PPolyproline II helixtrans-51.8142.4163.2-67.6-169.4-130159.416.3109.7E111 D112 G123 K124E111-R121 PolarHBondContact O-NE 2.85Å; E111-R121 PolarHBondContact O-NH2 3.02Å; D112-R121 HydrophobicContact CB-CB 4.48Å; D112-R121 HydrophobicContact CB-CG 4.46Å; D112-R121 PolarHBondContact O-N 2.9Å; D112-R121 WeakPolarHBondContact OD1-CD 3.31Å; D112-R121 IonicContact OD1-CZ 3.48Å; D112-R121 IonicContact OD1-NE 3.71Å; D112-R121 PolarHBondContact OD1-NE 3.45Å; D112-R121 IonicContact OD1-NH1 3.34Å; D112-R121 PolarHBondContact OD1-NH1 3.48Å; D112-R121 IonicContact OD1-NH2 2.74Å; D112-R121 PolarHBondContact OD1-NH2 3.16Å; D112-R121 VanDerWaalsContact OD1-NH2 3.08Å; R121-G123 PolarHBondContact O-N 2.95Å; R121-K124 HydrophobicContact CB-CB 4.35Å; R121-K124 HydrophobicContact CB-CG 3.95Å; R121-K124 VanDerWaalsContact O-CB 3.3Å; R121-K124 WeakPolarHBondContact O-CB 3.32Å; R121-K124 PolarHBondContact O-N 3.38Å
122P97.7Very high97.8Very high134 Ų13477.3 Ų77.387%0.8742%0.421SS*.THydrogen-bonded Turntrans-51.3131.2179.7-28.735.6000112.6K124P122-K124 VanDerWaalsContact C-N 3.28Å; P122-K124 PolarHBondContact O-N 3.11Å
123G97.4Very high97.7Very high85 Ų8580.1 Ų80.188%0.87644%0.436SS*.THydrogen-bonded Turntrans80.6-3.6-178.300000115.6R121R121-G123 PolarHBondContact O-N 2.95Å
124K97.5Very high97.7Very high108 Ų10882.3 Ų82.347%0.4745%0.451SS..  trans-97.6166177.8-60.2-66-159.5156.50112.4D112 C120 R121 P122D112-K124 HydrophobicContact CB-CB 3.79Å; D112-K124 HydrophobicContact CB-CG 3.96Å; D112-K124 VanDerWaalsContact CG-CG 3.48Å; D112-K124 WeakPolarHBondContact OD2-CD 3.44Å; D112-K124 VanDerWaalsContact OD2-CE 3.24Å; D112-K124 WeakPolarHBondContact OD2-CE 2.97Å; D112-K124 WeakPolarHBondContact OD2-CG 3.47Å; D112-K124 IonicContact OD2-NZ 3.38Å; D112-K124 PolarHBondContact OD2-NZ 2.74Å; C120-K124 HydrophobicContact CB-CB 4.33Å; R121-K124 HydrophobicContact CB-CB 4.35Å; R121-K124 HydrophobicContact CB-CG 3.95Å; R121-K124 VanDerWaalsContact O-CB 3.3Å; R121-K124 WeakPolarHBondContact O-CB 3.32Å; R121-K124 PolarHBondContact O-N 3.38Å; P122-K124 VanDerWaalsContact C-N 3.28Å; P122-K124 PolarHBondContact O-N 3.11Å
125K96.4Very high97.7Very high164 Ų16482.8 Ų82.871%0.71346%0.455SS*.  trans-122.9139173.9-59-63.2-177.7179.10108E109E109-K125 VanDerWaalsContact CD-O 3.3Å
126C98.2Very high97.7Very high3 Ų380.5 Ų80.52%0.0245%0.453CS..  trans-13511.8177.4-28.80000112.2E109 Y113 C120 H128 Y129 T130E109-C126 HydrophobicContact CB-CB 4.17Å; E109-C126 WeakPolarHBondContact OE2-CA 2.91Å; Y113-C126 HydrophobicContact CD2-CB 3.83Å; Y113-C126 HydrophobicContact CG-CB 4.26Å; C120-C126 VanDerWaalsContact CA-SG 3.51Å; C120-C126 HydrophobicContact CB-CB 4.43Å; C120-C126 WeakPolarHBondContact CB-SG 3.32Å; C120-C126 VanDerWaalsContact SG-CA 3.54Å; C120-C126 WeakPolarHBondContact SG-CB 2.9Å; C120-C126 PolarHBondContact SG-N 3.44Å; C120-C126 CovalentContact SG-SG 2.03Å; C120-C126 PolarHBondContact SG-SG 3.05Å; C126-H128 PolarHBondContact O-N 3.09Å; C126-Y129 PolarHBondContact O-N 3.28Å; C126-T130 PolarHBondContact O-N 2.94Å; C126-T130 PolarHBondContact O-OG1 2.69Å
127G98Very high97.7Very high47 Ų4775.3 Ų75.349%0.48543%0.434SS..Hα-helixtrans-62.1-35.3-176.500000111.5E109 T130 Q131E109-G127 PolarHBondContact OE2-N 3.4Å; G127-T130 WeakPolarHBondContact CA-OG1 3.2Å; G127-T130 PolarHBondContact O-OG1 3.15Å; G127-Q131 PolarHBondContact O-N 3.3Å
128H98.5Very high97.8Very high47 Ų4774.8 Ų74.822%0.21843%0.429CS..Hα-helixtrans-69.8-44.7177.6-49.1116.2000110.8N77 W106 E109 C126 T130 Q131 V132N77-H128 PolarHBondContact ND2-O 3.05Å; N77-H128 VanDerWaalsContact ND2-O 3.09Å; N77-H128 WeakPolarHBondContact OD1-CA 3.48Å; N77-H128 PolarHBondContact OD1-CD2 3.3Å; W106-H128 HydrophobicContact CB-CB 3.53Å; W106-H128 VanDerWaalsContact CD1-CB 3.5Å; W106-H128 AromaticContact CD1-CD2 3.87Å; W106-H128 AromaticContact CD1-CG 3.48Å; W106-H128 VanDerWaalsContact CD1-CG 3.48Å; W106-H128 AromaticContact CD1-ND1 3.82Å; W106-H128 HydrophobicContact CG-CB 3.59Å; W106-H128 AromaticContact NE1-CD2 3.93Å; E109-H128 IonicContact OE1-CE1 2.67Å; E109-H128 IonicContact OE1-CG 2.67Å; E109-H128 IonicContact OE1-ND1 2.79Å; E109-H128 PolarHBondContact OE1-ND1 2.98Å; E109-H128 WeakPolarHBondContact OE2-CA 3.07Å; E109-H128 VanDerWaalsContact OE2-CB 3.28Å; E109-H128 WeakPolarHBondContact OE2-CB 3.29Å; E109-H128 IonicContact OE2-CG 2.6Å; E109-H128 PolarHBondContact OE2-N 2.86Å; E109-H128 IonicContact OE2-ND1 3.94Å; C126-H128 PolarHBondContact O-N 3.09Å; H128-T130 PolarHBondContact O-N 3.46Å; H128-Q131 PolarHBondContact O-N 3.08Å; H128-Q131 VanDerWaalsContact O-N 3.12Å; H128-V132 WeakPolarHBondContact O-CG2 3.5Å; H128-V132 PolarHBondContact O-N 3.34Å; H128-V132 VanDerWaalsContact O-N 3.1Å
129Y98.5Very high97.8Very high12 Ų1271.4 Ų71.45%0.04741%0.414CS..Hα-helixtrans-58-47175.2164.4-112.1000112.1Q29 W106 F107 E109 H110 Y113 C126 Q131 V132Q29-Y129 WeakPolarHBondContact CG-OH 3.24Å; W106-Y129 VanDerWaalsContact O-CA 3.26Å; W106-Y129 WeakPolarHBondContact O-CA 3.44Å; W106-Y129 WeakPolarHBondContact O-CB 3.34Å; W106-Y129 PolarHBondContact O-N 2.8Å; F107-Y129 AromaticContact CD2-CD2 3.91Å; F107-Y129 HydrophobicContact CD2-CD2 3.91Å; F107-Y129 HydrophobicContact CD2-CE2 4.03Å; F107-Y129 HydrophobicContact CE2-CD2 4.22Å; F107-Y129 AromaticContact CE2-CE2 3.84Å; F107-Y129 HydrophobicContact CE2-CE2 3.84Å; F107-Y129 VanDerWaalsContact O-CD2 3.32Å; F107-Y129 WeakPolarHBondContact O-CD2 3.3Å; E109-Y129 PolarHBondContact OE2-N 3.42Å; E109-Y129 VanDerWaalsContact OE2-N 3.1Å; H110-Y129 HydrophobicContact CB-CD1 4.03Å; H110-Y129 HydrophobicContact CB-CD2 3.51Å; H110-Y129 HydrophobicContact CB-CE1 3.88Å; H110-Y129 HydrophobicContact CB-CE2 3.36Å; H110-Y129 HydrophobicContact CB-CG 3.85Å; Y113-Y129 HydrophobicContact CD1-CD1 4.05Å; Y113-Y129 AromaticContact CD1-CE1 3.55Å; Y113-Y129 HydrophobicContact CD1-CE1 3.55Å; Y113-Y129 HydrophobicContact CE1-CE1 4.25Å; Y113-Y129 AromaticContact CG-CD1 3.96Å; Y113-Y129 HydrophobicContact CG-CD1 3.96Å; Y113-Y129 AromaticContact CG-CE1 3.94Å; Y113-Y129 HydrophobicContact CG-CE1 3.94Å; C126-Y129 PolarHBondContact O-N 3.28Å; Y129-Q131 PolarHBondContact O-N 3.38Å; Y129-Q131 VanDerWaalsContact O-N 3.08Å; Y129-V132 PolarHBondContact O-N 3.48Å; Y129-V132 VanDerWaalsContact O-N 3.12Å
130T98Very high97.8Very high78 Ų7872.8 Ų72.848%0.47942%0.418SS..Hα-helixtrans-64.1-16.3-179.549.90000113.5Y113 C126 G127 H128Y113-T130 HydrophobicContact CD2-CG2 4.06Å; Y113-T130 HydrophobicContact CE1-CG2 4.37Å; Y113-T130 HydrophobicContact CE2-CG2 3.67Å; C126-T130 PolarHBondContact O-N 2.94Å; C126-T130 PolarHBondContact O-OG1 2.69Å; G127-T130 WeakPolarHBondContact CA-OG1 3.2Å; G127-T130 PolarHBondContact O-OG1 3.15Å; H128-T130 PolarHBondContact O-N 3.46Å
131Q98Very high97.8Very high99 Ų9975.5 Ų75.546%0.46343%0.429SS..Hα-helixtrans-95.7-21176.7-177.457.787.500113.6G127 H128 Y129G127-Q131 PolarHBondContact O-N 3.3Å; H128-Q131 PolarHBondContact O-N 3.08Å; H128-Q131 VanDerWaalsContact O-N 3.12Å; Y129-Q131 PolarHBondContact O-N 3.38Å; Y129-Q131 VanDerWaalsContact O-N 3.08Å
132V97.7Very high97.8Very high11 Ų1171.6 Ų71.67%0.06743%0.428CS..  trans-73.80176.7170.20000111.1F17 R18 W106 F107 H128 Y129F17-V132 HydrophobicContact CB-CG1 4.27Å; R18-V132 VanDerWaalsContact CD-O 3.26Å; R18-V132 WeakPolarHBondContact CD-O 3.38Å; R18-V132 WeakPolarHBondContact CG-O 3.44Å; R18-V132 PolarHBondContact NH1-O 3.38Å; W106-V132 HydrophobicContact CB-CG2 3.94Å; W106-V132 HydrophobicContact CE3-CG2 4.46Å; F107-V132 HydrophobicContact CB-CG1 4.43Å; F107-V132 HydrophobicContact CD2-CG1 3.89Å; H128-V132 WeakPolarHBondContact O-CG2 3.5Å; H128-V132 PolarHBondContact O-N 3.34Å; H128-V132 VanDerWaalsContact O-N 3.1Å; Y129-V132 PolarHBondContact O-N 3.48Å; Y129-V132 VanDerWaalsContact O-N 3.12Å

Retrieved 132 of 132 residues in 61 ms (Link to these results)

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