A0A077ZHI0_TRITR Loading...

Nucleoside diphosphate kinase

AlphaFold DB , UniProt , Accession A0A077ZHI0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 143 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
1M67.9Low94.5Very high154 Ų15445.3 Ų45.376%0.75924%0.235SC*.  0171.20-74.1170.4-82.300108.9E80 N81M1-E80 HydrophobicContact CB-CB 4.26Å; M1-E80 PolarHBondContact N-OE2 3.43Å; M1-N81 HydrophobicContact SD-CB 3.91Å
2A87.8Confident94.8Very high71 Ų7142.3 Ų42.359%0.58722%0.221SC*.  trans-64.6141.5176.600000110.7E80 N81A2-E80 WeakPolarHBondContact O-CA 3.44Å; A2-N81 PolarHBondContact O-N 3.02Å
3I94.1Very high95.1Very high124 Ų12439.8 Ų39.864%0.63621%0.208SC*.EExtended strand (participates in β ladder)trans-75.2126.9170.7-64.1179.9000107.7E78I3-E78 HydrophobicContact CG2-CG 3.75Å
4E98.1Very high95.4Very high43 Ų4337 Ų3720%0.20119%0.193CC..EExtended strand (participates in β ladder)trans-121.6162.6179.2-69.9169.3-170.100110.1E78 G79 N81 A82 V83E4-E78 WeakPolarHBondContact O-CA 3.32Å; E4-G79 PolarHBondContact N-O 3.45Å; E4-G79 PolarHBondContact O-N 2.74Å; E4-G79 VanDerWaalsContact O-N 3.07Å; E4-N81 VanDerWaalsContact OE2-C 3.27Å; E4-N81 WeakPolarHBondContact OE2-CA 3.32Å; E4-A82 HydrophobicContact CB-CB 3.82Å; E4-A82 WeakPolarHBondContact O-CB 3.3Å; E4-A82 PolarHBondContact OE2-N 3.21Å; E4-V83 PolarHBondContact OE2-N 2.89Å
5R98.5Very high95.6Very high93 Ų9335.7 Ų35.735%0.35119%0.187SC..EExtended strand (participates in β ladder)trans-118.3140.1165.2-68.5176177.8167.1-0.5109.1V76 L77 E78 A125 I129R5-V76 HydrophobicContact CB-CG1 3.99Å; R5-V76 HydrophobicContact CG-CG1 4.17Å; R5-L77 CarbonylContact C-O 3.5Å; R5-L77 VanDerWaalsContact CA-O 3.29Å; R5-L77 WeakPolarHBondContact CA-O 3.38Å; R5-E78 HydrophobicContact CG-CB 4.11Å; R5-E78 HydrophobicContact CG-CG 4.06Å; R5-E78 IonicContact CZ-OE2 3.26Å; R5-E78 VanDerWaalsContact CZ-OE2 3.26Å; R5-E78 IonicContact NE-OE2 2.79Å; R5-E78 PolarHBondContact NE-OE2 2.75Å; R5-E78 IonicContact NH2-OE2 2.76Å; R5-E78 PolarHBondContact NH2-OE2 3.37Å; R5-A125 WeakPolarHBondContact O-CB 3.33Å; R5-I129 HydrophobicContact CB-CD1 3.65Å
6T98.8Very high95.8Very high0 Ų038.3 Ų38.30%022%0.216CC..EExtended strand (participates in β ladder)trans-125.7153.8171.9-173.90000109.8L77 A82 H86 S119T6-L77 HydrophobicContact CG2-CB 3.88Å; T6-L77 HydrophobicContact CG2-CD1 4.49Å; T6-L77 PolarHBondContact N-O 2.87Å; T6-L77 PolarHBondContact O-N 3.29Å; T6-A82 HydrophobicContact CG2-CB 4.22Å; T6-H86 HydrophobicContact CG2-CB 3.75Å; T6-S119 PolarHBondContact OG1-OG 3.14Å
7F98.8Very high96Very high0 Ų041.1 Ų41.10%023%0.225CC..EExtended strand (participates in β ladder)trans-92.8142.7174.5-178.6-107.4000110.3I9 F50 V74 H117 G118 S119 E128 I129 F132 F133F7-I9 HydrophobicContact CD1-CG1 4.15Å; F7-I9 HydrophobicContact CE1-CD1 3.67Å; F7-I9 HydrophobicContact CE1-CG1 3.25Å; F7-I9 HydrophobicContact CZ-CD1 4.2Å; F7-I9 HydrophobicContact CZ-CG1 3.67Å; F7-F50 HydrophobicContact CD1-CE2 4.17Å; F7-F50 AromaticContact CD1-CZ 3.88Å; F7-F50 HydrophobicContact CD1-CZ 3.88Å; F7-F50 HydrophobicContact CE1-CE1 4.39Å; F7-F50 AromaticContact CE1-CE2 3.74Å; F7-F50 HydrophobicContact CE1-CE2 3.74Å; F7-F50 AromaticContact CE1-CZ 3.49Å; F7-F50 HydrophobicContact CE1-CZ 3.49Å; F7-F50 VanDerWaalsContact CE1-CZ 3.49Å; F7-F50 HydrophobicContact CZ-CE2 4.44Å; F7-V74 HydrophobicContact CE2-CB 3.77Å; F7-V74 HydrophobicContact CE2-CG1 4.22Å; F7-V74 HydrophobicContact CZ-CB 3.77Å; F7-V74 HydrophobicContact CZ-CG1 3.7Å; F7-H117 AromaticContact CD1-CD2 3.93Å; F7-G118 WeakPolarHBondContact O-CA 3.19Å; F7-S119 WeakPolarHBondContact CB-OG 3.44Å; F7-S119 PolarHBondContact N-OG 2.69Å; F7-S119 VanDerWaalsContact N-OG 3.09Å; F7-S119 PolarHBondContact O-N 3.31Å; F7-E128 HydrophobicContact CB-CB 3.71Å; F7-E128 HydrophobicContact CD1-CB 3.74Å; F7-E128 HydrophobicContact CD1-CG 4.39Å; F7-E128 WeakPolarHBondContact CD1-OE2 3.29Å; F7-E128 HydrophobicContact CE1-CB 4.5Å; F7-E128 HydrophobicContact CG-CB 3.79Å; F7-I129 HydrophobicContact CB-CG1 3.98Å; F7-I129 HydrophobicContact CD2-CG1 4.48Å; F7-F132 AromaticContact CE1-CD2 3.83Å; F7-F132 HydrophobicContact CE1-CD2 3.83Å; F7-F132 AromaticContact CE1-CE2 3.87Å; F7-F132 HydrophobicContact CE1-CE2 3.87Å; F7-F132 HydrophobicContact CE2-CB 3.88Å; F7-F132 AromaticContact CE2-CD2 3.46Å; F7-F132 HydrophobicContact CE2-CD2 3.46Å; F7-F132 VanDerWaalsContact CE2-CD2 3.46Å; F7-F132 HydrophobicContact CE2-CE2 4.26Å; F7-F132 AromaticContact CE2-CG 3.94Å; F7-F132 HydrophobicContact CE2-CG 3.94Å; F7-F132 HydrophobicContact CZ-CB 4.31Å; F7-F132 AromaticContact CZ-CD2 3.05Å; F7-F132 HydrophobicContact CZ-CD2 3.05Å; F7-F132 AromaticContact CZ-CE2 3.41Å; F7-F132 HydrophobicContact CZ-CE2 3.41Å; F7-F132 VanDerWaalsContact CZ-CE2 3.41Å; F7-F132 AromaticContact CZ-CG 3.85Å; F7-F132 HydrophobicContact CZ-CG 3.85Å; F7-F132 HydrophobicContact CZ-CZ 4.47Å; F7-F133 HydrophobicContact CD2-CE2 4.12Å; F7-F133 HydrophobicContact CE2-CD2 4.4Å; F7-F133 AromaticContact CE2-CE2 3.84Å; F7-F133 HydrophobicContact CE2-CE2 3.84Å
8S98.9Very high96.1Very high0 Ų046.7 Ų46.70%026%0.255CS..EExtended strand (participates in β ladder)trans-131141.8177.6-170.90000110.1F27 V74 S75 H86 H117S8-F27 WeakPolarHBondContact OG-CZ 3.48Å; S8-V74 CarbonylContact O-C 3.54Å; S8-V74 WeakPolarHBondContact O-CA 3.27Å; S8-S75 PolarHBondContact N-O 3.41Å; S8-S75 PolarHBondContact O-N 2.8Å; S8-H86 PolarHBondContact OG-CE1 3.38Å; S8-H86 PolarHBondContact OG-NE2 2.79Å; S8-H117 WeakPolarHBondContact CA-O 3.15Å
9I98.8Very high96.3Very high0 Ų045.4 Ų45.40%025%0.248CC..EExtended strand (participates in β ladder)trans-123.7131165.2-44.9177.1000108.6F7 F50 M67 I72 V73 V74 T116 H117F7-I9 HydrophobicContact CD1-CG1 4.15Å; F7-I9 HydrophobicContact CE1-CD1 3.67Å; F7-I9 HydrophobicContact CE1-CG1 3.25Å; F7-I9 HydrophobicContact CZ-CD1 4.2Å; F7-I9 HydrophobicContact CZ-CG1 3.67Å; I9-F50 HydrophobicContact CD1-CD1 4.46Å; I9-F50 HydrophobicContact CD1-CE1 3.8Å; I9-F50 HydrophobicContact CD1-CZ 4.16Å; I9-M67 HydrophobicContact CD1-CE 3.84Å; I9-M67 HydrophobicContact CG2-CE 4.13Å; I9-I72 HydrophobicContact CG2-CB 3.77Å; I9-I72 HydrophobicContact CG2-CD1 3.74Å; I9-I72 HydrophobicContact CG2-CG1 4.27Å; I9-I72 HydrophobicContact CG2-CG2 4.16Å; I9-V73 CarbonylContact C-O 3.54Å; I9-V73 WeakPolarHBondContact CA-O 3.44Å; I9-V74 HydrophobicContact CG1-CG1 4.27Å; I9-V74 HydrophobicContact CG2-CG1 4.35Å; I9-T116 CarbonylContact O-C 3.49Å; I9-T116 WeakPolarHBondContact O-CA 3.28Å; I9-H117 HydrophobicContact CB-CB 3.73Å; I9-H117 HydrophobicContact CD1-CB 3.97Å; I9-H117 HydrophobicContact CG1-CB 3.81Å; I9-H117 PolarHBondContact N-O 3.4Å; I9-H117 VanDerWaalsContact N-O 3.13Å; I9-H117 PolarHBondContact O-N 3.48Å
10I98.9Very high96.4Very high0 Ų045 Ų450%025%0.246CC..EExtended strand (participates in β ladder)trans-89.6112.2157.8-57.5176.8000106.8A14 V15 I20 I23 F24 I72 V73I10-A14 HydrophobicContact CG2-CB 3.59Å; I10-V15 HydrophobicContact CG2-CG2 3.97Å; I10-I20 HydrophobicContact CD1-CB 4.4Å; I10-I20 HydrophobicContact CD1-CG2 3.99Å; I10-I20 HydrophobicContact CG2-CG1 4.36Å; I10-I23 HydrophobicContact CD1-CB 3.92Å; I10-I23 HydrophobicContact CD1-CD1 4.29Å; I10-I23 HydrophobicContact CD1-CG2 3.75Å; I10-I23 HydrophobicContact CG1-CB 4.5Å; I10-I23 HydrophobicContact CG1-CD1 4.29Å; I10-I23 HydrophobicContact CG1-CG2 3.96Å; I10-I23 HydrophobicContact CG2-CD1 3.81Å; I10-F24 HydrophobicContact CD1-CD1 3.65Å; I10-F24 HydrophobicContact CD1-CE1 3.42Å; I10-F24 VanDerWaalsContact CD1-CE1 3.42Å; I10-F24 HydrophobicContact CD1-CZ 4.29Å; I10-F24 HydrophobicContact CG1-CE1 4.33Å; I10-I72 WeakPolarHBondContact O-CA 3.26Å; I10-I72 WeakPolarHBondContact O-CB 3.37Å; I10-V73 HydrophobicContact CB-CB 4.21Å; I10-V73 PolarHBondContact N-O 3.17Å; I10-V73 PolarHBondContact O-N 2.87Å; I10-V73 VanDerWaalsContact O-N 3.09Å
11K98.8Very high96.5Very high13 Ų1345.1 Ų45.16%0.05726%0.257CS..  trans-75.2166.2-170.2-65-165.6177.5179.70112.1N13 A14 V15 F66 M67 N114 G115K11-N13 VanDerWaalsContact C-N 3.27Å; K11-N13 PolarHBondContact O-N 3.13Å; K11-N13 VanDerWaalsContact O-N 3.15Å; K11-A14 PolarHBondContact O-N 3.05Å; K11-A14 VanDerWaalsContact O-N 3.07Å; K11-V15 PolarHBondContact O-N 3.42Å; K11-F66 HydrophobicContact CB-CE1 4.17Å; K11-F66 HydrophobicContact CB-CZ 3.95Å; K11-F66 HydrophobicContact CD-CE1 3.63Å; K11-F66 HydrophobicContact CD-CZ 4.21Å; K11-M67 HydrophobicContact CB-SD 4.35Å; K11-M67 HydrophobicContact CD-SD 3.72Å; K11-M67 HydrophobicContact CG-CE 4.38Å; K11-M67 HydrophobicContact CG-SD 3.86Å; K11-N114 VanDerWaalsContact CE-OD1 3.31Å; K11-N114 WeakPolarHBondContact CE-OD1 3.32Å; K11-N114 PolarHBondContact NZ-OD1 3.01Å; K11-G115 WeakPolarHBondContact CB-O 3.41Å; K11-G115 PolarHBondContact N-O 3.2Å
12P98.8Very high98Very high9 Ų942.1 Ų42.16%0.05824%0.244CC..Hα-helixtrans-56.6-37.1-171.6-30.340000114.4V15 A16 F66 P71 I72P12-V15 PolarHBondContact O-N 2.96Å; P12-A16 WeakPolarHBondContact O-CB 3.29Å; P12-A16 PolarHBondContact O-N 2.54Å; P12-F66 HydrophobicContact CB-CE2 4.22Å; P12-F66 HydrophobicContact CG-CE2 4.42Å; P12-F66 WeakPolarHBondContact CG-O 3.33Å; P12-P71 WeakPolarHBondContact CA-O 2.97Å; P12-I72 HydrophobicContact CG-CG2 3.64Å
13N98.5Very high98.5Very high11 Ų1138.7 Ų38.76%0.05922%0.216CC..Hα-helixtrans-64.6-42178.670.7-45.3000112.8K11 A16 K17 F66 D109 E113 G115K11-N13 VanDerWaalsContact C-N 3.27Å; K11-N13 PolarHBondContact O-N 3.13Å; K11-N13 VanDerWaalsContact O-N 3.15Å; N13-A16 PolarHBondContact O-N 2.97Å; N13-K17 VanDerWaalsContact O-CG 3.31Å; N13-K17 WeakPolarHBondContact O-CG 3.49Å; N13-K17 PolarHBondContact O-N 3.19Å; N13-K17 VanDerWaalsContact O-N 3.11Å; N13-F66 HydrophobicContact CB-CE2 4.07Å; N13-F66 HydrophobicContact CB-CZ 4.17Å; N13-F66 WeakPolarHBondContact OD1-CZ 3.41Å; N13-D109 PolarHBondContact ND2-OD2 3.18Å; N13-E113 HydrophobicContact CB-CB 4.33Å; N13-E113 WeakPolarHBondContact CB-OE2 3.41Å; N13-E113 PolarHBondContact ND2-O 3.15Å; N13-G115 WeakPolarHBondContact OD1-CA 3.38Å; N13-G115 PolarHBondContact OD1-N 3.48Å
14A98.8Very high98.7Very high0 Ų034.5 Ų34.50%019%0.194CC..Hα-helixtrans-70.6-34.4176.400000112.1I10 K11 K17 V19 I23 G115I10-A14 HydrophobicContact CG2-CB 3.59Å; K11-A14 PolarHBondContact O-N 3.05Å; K11-A14 VanDerWaalsContact O-N 3.07Å; A14-K17 PolarHBondContact O-N 3.15Å; A14-V19 HydrophobicContact CB-CG2 4.04Å; A14-V19 VanDerWaalsContact O-CG2 3.22Å; A14-V19 WeakPolarHBondContact O-CG2 3.41Å; A14-V19 PolarHBondContact O-N 3.35Å; A14-I23 HydrophobicContact CB-CD1 3.95Å; A14-G115 WeakPolarHBondContact CB-O 3.37Å
15V98.8Very high98.8Very high17 Ų1734.8 Ų34.810%0.10320%0.203CC..Hα-helixtrans-62.8-48.2171171.90000110.7I10 K11 P12 K17 N18 I20 M39 P71 V73I10-V15 HydrophobicContact CG2-CG2 3.97Å; K11-V15 PolarHBondContact O-N 3.42Å; P12-V15 PolarHBondContact O-N 2.96Å; V15-K17 PolarHBondContact O-N 2.79Å; V15-N18 PolarHBondContact O-N 2.83Å; V15-I20 HydrophobicContact CB-CD1 4.49Å; V15-I20 HydrophobicContact CG1-CD1 4.2Å; V15-I20 HydrophobicContact CG2-CD1 4.13Å; V15-I20 HydrophobicContact CG2-CG1 4.18Å; V15-M39 HydrophobicContact CG1-CE 4.31Å; V15-P71 WeakPolarHBondContact CB-O 3.27Å; V15-P71 HydrophobicContact CG1-CB 4.41Å; V15-P71 WeakPolarHBondContact CG2-O 3.49Å; V15-V73 HydrophobicContact CG2-CG2 4.27Å
16A98.6Very high98.8Very high78 Ų7834.8 Ų34.865%0.64520%0.203SC*.Hα-helixtrans-60.9-29.7179.800000113.1P12 N13 N18P12-A16 WeakPolarHBondContact O-CB 3.29Å; P12-A16 PolarHBondContact O-N 2.54Å; N13-A16 PolarHBondContact O-N 2.97Å; A16-N18 VanDerWaalsContact C-N 3.27Å; A16-N18 PolarHBondContact O-N 3.21Å
17K98.7Very high98.8Very high85 Ų8534.8 Ų34.837%0.3720%0.203SC..THydrogen-bonded Turntrans-78.9-2.3174.3-71.7170.2176.3178.60114.4N13 A14 V15 V19 Y107 D109N13-K17 VanDerWaalsContact O-CG 3.31Å; N13-K17 WeakPolarHBondContact O-CG 3.49Å; N13-K17 PolarHBondContact O-N 3.19Å; N13-K17 VanDerWaalsContact O-N 3.11Å; A14-K17 PolarHBondContact O-N 3.15Å; V15-K17 PolarHBondContact O-N 2.79Å; K17-V19 VanDerWaalsContact C-N 3.3Å; K17-V19 HydrophobicContact CB-CG1 4.28Å; K17-V19 HydrophobicContact CB-CG2 4.22Å; K17-V19 PolarHBondContact O-N 3.4Å; K17-Y107 PolarHBondContact NZ-O 3.08Å; K17-D109 VanDerWaalsContact CE-OD1 3.28Å; K17-D109 WeakPolarHBondContact CE-OD1 3.49Å; K17-D109 VanDerWaalsContact CE-OD2 3.25Å; K17-D109 WeakPolarHBondContact CE-OD2 3.49Å; K17-D109 IonicContact NZ-OD1 2.62Å; K17-D109 PolarHBondContact NZ-OD1 3.4Å; K17-D109 IonicContact NZ-OD2 2.75Å; K17-D109 PolarHBondContact NZ-OD2 3.28Å
18N98.7Very high98.8Very high142 Ų14240 Ų4076%0.75923%0.228SC*.THydrogen-bonded Turntrans59.133.8-178-55.9-70.9000114.3V15 A16V15-N18 PolarHBondContact O-N 2.83Å; A16-N18 VanDerWaalsContact C-N 3.27Å; A16-N18 PolarHBondContact O-N 3.21Å
19V98.7Very high98.7Very high22 Ų2244.3 Ų44.313%0.13326%0.263CS..  trans-102.214.6-178.5-640000114.1A14 K17 G21 N22 I23 Y107A14-V19 HydrophobicContact CB-CG2 4.04Å; A14-V19 VanDerWaalsContact O-CG2 3.22Å; A14-V19 WeakPolarHBondContact O-CG2 3.41Å; A14-V19 PolarHBondContact O-N 3.35Å; K17-V19 VanDerWaalsContact C-N 3.3Å; K17-V19 HydrophobicContact CB-CG1 4.28Å; K17-V19 HydrophobicContact CB-CG2 4.22Å; K17-V19 PolarHBondContact O-N 3.4Å; V19-G21 VanDerWaalsContact C-N 3.32Å; V19-G21 PolarHBondContact O-N 2.91Å; V19-N22 HydrophobicContact CB-CB 4.41Å; V19-N22 PolarHBondContact O-N 2.97Å; V19-N22 VanDerWaalsContact O-N 3.15Å; V19-I23 HydrophobicContact CG2-CD1 3.98Å; V19-I23 WeakPolarHBondContact O-CG1 3.42Å; V19-I23 PolarHBondContact O-N 3.07Å; V19-Y107 HydrophobicContact CB-CD1 4.14Å; V19-Y107 HydrophobicContact CB-CE1 4.1Å; V19-Y107 HydrophobicContact CG1-CD1 4.16Å; V19-Y107 HydrophobicContact CG1-CE1 4.06Å; V19-Y107 HydrophobicContact CG2-CD1 3.94Å; V19-Y107 HydrophobicContact CG2-CE1 4.39Å; V19-Y107 HydrophobicContact CG2-CG 4.33Å
20I98.9Very high98.7Very high38 Ų3846.2 Ų46.220%0.19528%0.279CS..Hα-helixtrans-53.7-50.1180-64.3163.3000110.9I10 V15 N22 I23 F24 M39 V73I10-I20 HydrophobicContact CD1-CB 4.4Å; I10-I20 HydrophobicContact CD1-CG2 3.99Å; I10-I20 HydrophobicContact CG2-CG1 4.36Å; V15-I20 HydrophobicContact CB-CD1 4.49Å; V15-I20 HydrophobicContact CG1-CD1 4.2Å; V15-I20 HydrophobicContact CG2-CD1 4.13Å; V15-I20 HydrophobicContact CG2-CG1 4.18Å; I20-N22 VanDerWaalsContact C-N 3.32Å; I20-N22 PolarHBondContact O-N 2.86Å; I20-I23 PolarHBondContact O-N 3.14Å; I20-F24 HydrophobicContact CG2-CD2 4.42Å; I20-F24 HydrophobicContact CG2-CE2 4.34Å; I20-F24 HydrophobicContact CG2-CZ 4.48Å; I20-F24 PolarHBondContact O-N 2.78Å; I20-M39 HydrophobicContact CD1-CE 3.7Å; I20-V73 HydrophobicContact CD1-CG2 3.75Å; I20-V73 HydrophobicContact CG1-CG2 4.15Å; I20-V73 HydrophobicContact CG2-CG2 4.29Å
21G98.8Very high98.7Very high48 Ų4848.4 Ų48.450%0.49530%0.301SS..Hα-helixtrans-61-40.4-179.800000112.5V19 F24 A25V19-G21 VanDerWaalsContact C-N 3.32Å; V19-G21 PolarHBondContact O-N 2.91Å; G21-F24 PolarHBondContact O-N 2.8Å; G21-A25 WeakPolarHBondContact O-CB 3.36Å; G21-A25 PolarHBondContact O-N 3.45Å
22N98.8Very high98.7Very high90 Ų9048.1 Ų48.148%0.48130%0.3SS..Hα-helixtrans-64.4-41.9177.9-60.164.1000111.9V19 I20 A25 R26 Y107V19-N22 HydrophobicContact CB-CB 4.41Å; V19-N22 PolarHBondContact O-N 2.97Å; V19-N22 VanDerWaalsContact O-N 3.15Å; I20-N22 VanDerWaalsContact C-N 3.32Å; I20-N22 PolarHBondContact O-N 2.86Å; N22-A25 PolarHBondContact O-N 3.11Å; N22-R26 VanDerWaalsContact O-CG 3.3Å; N22-R26 WeakPolarHBondContact O-CG 3.38Å; N22-R26 PolarHBondContact O-N 2.98Å; N22-R26 VanDerWaalsContact O-N 3.15Å; N22-Y107 WeakPolarHBondContact CB-OH 3.38Å
23I98.9Very high98.6Very high0 Ų052.3 Ų52.30%032%0.317CS..Hα-helixtrans-66.7-44.9177.4-66.7168.4000110.5I10 A14 V19 I20 A25 R26 F27 L103 Y107 T116I10-I23 HydrophobicContact CD1-CB 3.92Å; I10-I23 HydrophobicContact CD1-CD1 4.29Å; I10-I23 HydrophobicContact CD1-CG2 3.75Å; I10-I23 HydrophobicContact CG1-CB 4.5Å; I10-I23 HydrophobicContact CG1-CD1 4.29Å; I10-I23 HydrophobicContact CG1-CG2 3.96Å; I10-I23 HydrophobicContact CG2-CD1 3.81Å; A14-I23 HydrophobicContact CB-CD1 3.95Å; V19-I23 HydrophobicContact CG2-CD1 3.98Å; V19-I23 WeakPolarHBondContact O-CG1 3.42Å; V19-I23 PolarHBondContact O-N 3.07Å; I20-I23 PolarHBondContact O-N 3.14Å; I23-A25 VanDerWaalsContact C-N 3.35Å; I23-A25 PolarHBondContact O-N 3.28Å; I23-R26 WeakPolarHBondContact O-CB 3.32Å; I23-R26 PolarHBondContact O-N 3.5Å; I23-R26 VanDerWaalsContact O-N 3.15Å; I23-F27 HydrophobicContact CG2-CD2 4.34Å; I23-F27 HydrophobicContact CG2-CE1 4.04Å; I23-F27 HydrophobicContact CG2-CE2 3.59Å; I23-F27 HydrophobicContact CG2-CZ 3.4Å; I23-F27 VanDerWaalsContact CG2-CZ 3.4Å; I23-F27 PolarHBondContact O-N 3.32Å; I23-F27 VanDerWaalsContact O-N 3.1Å; I23-L103 HydrophobicContact CG1-CD2 4.29Å; I23-L103 HydrophobicContact CG2-CD1 4.01Å; I23-L103 HydrophobicContact CG2-CD2 4.43Å; I23-Y107 HydrophobicContact CD1-CD2 4.23Å; I23-Y107 HydrophobicContact CG1-CD2 3.78Å; I23-Y107 HydrophobicContact CG1-CE2 3.86Å; I23-Y107 HydrophobicContact CG1-CG 4.43Å; I23-T116 HydrophobicContact CD1-CG2 4.18Å; I23-T116 HydrophobicContact CG2-CG2 4.32Å
24F98.9Very high98.7Very high36 Ų3653 Ų5316%0.15832%0.321CS..Hα-helixtrans-62-41.7176-80.78.1000112.4I10 I20 G21 R26 F27 E28 I34 V73 S75I10-F24 HydrophobicContact CD1-CD1 3.65Å; I10-F24 HydrophobicContact CD1-CE1 3.42Å; I10-F24 VanDerWaalsContact CD1-CE1 3.42Å; I10-F24 HydrophobicContact CD1-CZ 4.29Å; I10-F24 HydrophobicContact CG1-CE1 4.33Å; I20-F24 HydrophobicContact CG2-CD2 4.42Å; I20-F24 HydrophobicContact CG2-CE2 4.34Å; I20-F24 HydrophobicContact CG2-CZ 4.48Å; I20-F24 PolarHBondContact O-N 2.78Å; G21-F24 PolarHBondContact O-N 2.8Å; F24-R26 PolarHBondContact O-N 3.48Å; F24-F27 AromaticContact CD1-CD2 3.74Å; F24-F27 HydrophobicContact CD1-CD2 3.74Å; F24-F27 AromaticContact CD1-CE2 3.83Å; F24-F27 HydrophobicContact CD1-CE2 3.83Å; F24-F27 HydrophobicContact CE1-CD2 4.31Å; F24-F27 HydrophobicContact CE1-CE2 4.13Å; F24-F27 WeakPolarHBondContact O-CB 3.33Å; F24-F27 PolarHBondContact O-N 2.96Å; F24-E28 WeakPolarHBondContact O-CG 3.44Å; F24-E28 PolarHBondContact O-N 2.8Å; F24-I34 HydrophobicContact CB-CD1 4.09Å; F24-I34 HydrophobicContact CD1-CD1 4.15Å; F24-I34 HydrophobicContact CD2-CD1 3.67Å; F24-I34 HydrophobicContact CE1-CD1 4.46Å; F24-I34 HydrophobicContact CE2-CD1 4.04Å; F24-I34 HydrophobicContact CG-CD1 3.72Å; F24-I34 HydrophobicContact CZ-CD1 4.41Å; F24-V73 HydrophobicContact CE1-CG1 4.32Å; F24-V73 HydrophobicContact CE2-CG1 4.45Å; F24-V73 HydrophobicContact CZ-CG1 3.62Å; F24-S75 VanDerWaalsContact CZ-OG 3.27Å; F24-S75 WeakPolarHBondContact CZ-OG 2.95Å
25A98.8Very high98.7Very high49 Ų4953.2 Ų53.241%0.40532%0.322SS..Hα-helixtrans-58.8-36.9175.200000111.9G21 N22 I23 E28 A29G21-A25 WeakPolarHBondContact O-CB 3.36Å; G21-A25 PolarHBondContact O-N 3.45Å; N22-A25 PolarHBondContact O-N 3.11Å; I23-A25 VanDerWaalsContact C-N 3.35Å; I23-A25 PolarHBondContact O-N 3.28Å; A25-E28 PolarHBondContact O-N 3.29Å; A25-A29 WeakPolarHBondContact O-CB 3.12Å; A25-A29 PolarHBondContact O-N 3.2Å
26R98.6Very high98.7Very high93 Ų9352.8 Ų52.835%0.35132%0.321SS..Hα-helixtrans-65.9-41174.3-67.7-88.4-154.4-175.75.1111.8N22 I23 F24 A30 L103 D106N22-R26 VanDerWaalsContact O-CG 3.3Å; N22-R26 WeakPolarHBondContact O-CG 3.38Å; N22-R26 PolarHBondContact O-N 2.98Å; N22-R26 VanDerWaalsContact O-N 3.15Å; I23-R26 WeakPolarHBondContact O-CB 3.32Å; I23-R26 PolarHBondContact O-N 3.5Å; I23-R26 VanDerWaalsContact O-N 3.15Å; F24-R26 PolarHBondContact O-N 3.48Å; R26-A30 VanDerWaalsContact O-CB 3.3Å; R26-A30 WeakPolarHBondContact O-CB 3.48Å; R26-A30 PolarHBondContact O-N 3.42Å; R26-L103 HydrophobicContact CB-CD2 3.84Å; R26-L103 HydrophobicContact CG-CD2 3.76Å; R26-D106 IonicContact CZ-OD2 3.87Å; R26-D106 IonicContact NH2-OD2 2.95Å; R26-D106 PolarHBondContact NH2-OD2 3.15Å
27F98.7Very high98.7Very high0 Ų052.6 Ų52.60%031%0.312CS..Hα-helixtrans-60.9-50.6174-58.8-31.1000111.2S8 I23 F24 A30 G31 F32 L77 H86 L89 L90 L103S8-F27 WeakPolarHBondContact OG-CZ 3.48Å; I23-F27 HydrophobicContact CG2-CD2 4.34Å; I23-F27 HydrophobicContact CG2-CE1 4.04Å; I23-F27 HydrophobicContact CG2-CE2 3.59Å; I23-F27 HydrophobicContact CG2-CZ 3.4Å; I23-F27 VanDerWaalsContact CG2-CZ 3.4Å; I23-F27 PolarHBondContact O-N 3.32Å; I23-F27 VanDerWaalsContact O-N 3.1Å; F24-F27 AromaticContact CD1-CD2 3.74Å; F24-F27 HydrophobicContact CD1-CD2 3.74Å; F24-F27 AromaticContact CD1-CE2 3.83Å; F24-F27 HydrophobicContact CD1-CE2 3.83Å; F24-F27 HydrophobicContact CE1-CD2 4.31Å; F24-F27 HydrophobicContact CE1-CE2 4.13Å; F24-F27 WeakPolarHBondContact O-CB 3.33Å; F24-F27 PolarHBondContact O-N 2.96Å; F27-A30 CarbonylContact O-C 3.56Å; F27-A30 PolarHBondContact O-N 3.28Å; F27-G31 PolarHBondContact O-N 2.76Å; F27-F32 HydrophobicContact CB-CB 4.28Å; F27-F32 HydrophobicContact CB-CD2 4.43Å; F27-F32 WeakPolarHBondContact O-CB 3.23Å; F27-F32 WeakPolarHBondContact O-CD2 3.2Å; F27-F32 PolarHBondContact O-N 2.99Å; F27-L77 HydrophobicContact CB-CD1 4.46Å; F27-L77 HydrophobicContact CB-CD2 4.48Å; F27-L77 HydrophobicContact CD1-CD1 4.06Å; F27-L77 HydrophobicContact CD2-CD1 3.96Å; F27-L77 HydrophobicContact CD2-CD2 3.98Å; F27-L77 HydrophobicContact CE1-CD1 4.23Å; F27-L77 HydrophobicContact CE2-CD1 4.14Å; F27-L77 HydrophobicContact CG-CD1 3.93Å; F27-L77 HydrophobicContact CG-CD2 4.39Å; F27-L77 HydrophobicContact CZ-CD1 4.28Å; F27-H86 AromaticContact CE1-CD2 3.76Å; F27-H86 AromaticContact CE1-NE2 3.62Å; F27-H86 AromaticContact CZ-NE2 3.76Å; F27-L89 HydrophobicContact CD1-CD2 3.67Å; F27-L89 HydrophobicContact CE1-CD2 4.28Å; F27-L90 HydrophobicContact CE1-CD2 4.27Å; F27-L103 HydrophobicContact CD1-CD1 4.2Å; F27-L103 HydrophobicContact CE1-CD1 3.4Å; F27-L103 VanDerWaalsContact CE1-CD1 3.4Å; F27-L103 HydrophobicContact CZ-CD1 4.03Å
28E98.8Very high98.7Very high110 Ų11051.1 Ų51.151%0.51431%0.305SS..Hα-helixtrans-65-42.7-178.3-66.8-179.9133.800112F24 A25 A30 G31 I34F24-E28 WeakPolarHBondContact O-CG 3.44Å; F24-E28 PolarHBondContact O-N 2.8Å; A25-E28 PolarHBondContact O-N 3.29Å; E28-A30 VanDerWaalsContact C-N 3.26Å; E28-A30 PolarHBondContact O-N 3.27Å; E28-G31 WeakPolarHBondContact O-CA 3.46Å; E28-G31 PolarHBondContact O-N 3.4Å; E28-I34 HydrophobicContact CG-CD1 4.4Å
29A98.5Very high98.7Very high90 Ų9049.6 Ų49.674%0.74430%0.295SS*.Hα-helixtrans-63.1-32.5175.700000112.5A25 G31A25-A29 WeakPolarHBondContact O-CB 3.12Å; A25-A29 PolarHBondContact O-N 3.2Å; A29-G31 PolarHBondContact O-N 3.36Å
30A98.2Very high98.7Very high39 Ų3950.8 Ų50.832%0.32230%0.3SS..THydrogen-bonded Turntrans-76.10.8172.100000113.1R26 F27 E28 F32 R85 L89R26-A30 VanDerWaalsContact O-CB 3.3Å; R26-A30 WeakPolarHBondContact O-CB 3.48Å; R26-A30 PolarHBondContact O-N 3.42Å; F27-A30 CarbonylContact O-C 3.56Å; F27-A30 PolarHBondContact O-N 3.28Å; E28-A30 VanDerWaalsContact C-N 3.26Å; E28-A30 PolarHBondContact O-N 3.27Å; A30-F32 HydrophobicContact CB-CD2 3.97Å; A30-F32 HydrophobicContact CB-CE2 4.04Å; A30-R85 PolarHBondContact O-NH2 3.21Å; A30-L89 HydrophobicContact CB-CD2 3.83Å
31G97.9Very high98.7Very high46 Ų4654.3 Ų54.347%0.47432%0.316SS..THydrogen-bonded Turntrans88.912.117500000115F27 E28 A29F27-G31 PolarHBondContact O-N 2.76Å; E28-G31 WeakPolarHBondContact O-CA 3.46Å; E28-G31 PolarHBondContact O-N 3.4Å; A29-G31 PolarHBondContact O-N 3.36Å
32F98.6Very high98.7Very high8 Ų852.3 Ų52.34%0.03529%0.294CS..  trans-75.9145.3172.8-68.1-79.4000111.4F27 A30 L77 A82 R85 H86 L89F27-F32 HydrophobicContact CB-CB 4.28Å; F27-F32 HydrophobicContact CB-CD2 4.43Å; F27-F32 WeakPolarHBondContact O-CB 3.23Å; F27-F32 WeakPolarHBondContact O-CD2 3.2Å; F27-F32 PolarHBondContact O-N 2.99Å; A30-F32 HydrophobicContact CB-CD2 3.97Å; A30-F32 HydrophobicContact CB-CE2 4.04Å; F32-L77 HydrophobicContact CB-CB 4.38Å; F32-L77 HydrophobicContact CD1-CB 3.99Å; F32-L77 HydrophobicContact CG-CB 4.4Å; F32-A82 HydrophobicContact CD1-CB 4.45Å; F32-A82 HydrophobicContact CE1-CB 3.91Å; F32-R85 HydrophobicContact CE1-CB 4.41Å; F32-R85 HydrophobicContact CE2-CB 4.39Å; F32-R85 HydrophobicContact CZ-CB 3.61Å; F32-H86 HydrophobicContact CE1-CB 4.25Å; F32-H86 HydrophobicContact CZ-CB 3.91Å; F32-L89 HydrophobicContact CE2-CD2 4.23Å
33K98.6Very high98.6Very high96 Ų9651 Ų5142%0.41729%0.289SS..EExtended strand (participates in β ladder)trans-99.9120.6167-63.8165-171.1-78.50108.2V35 L77 E78 R141K33-V35 HydrophobicContact CB-CG1 4.08Å; K33-V35 PolarHBondContact O-N 2.89Å; K33-L77 WeakPolarHBondContact O-CA 3.2Å; K33-E78 HydrophobicContact CB-CB 4.39Å; K33-E78 PolarHBondContact N-O 3.21Å; K33-E78 PolarHBondContact O-N 3.47Å; K33-R141 HydrophobicContact CD-CG 4.1Å
34I98.8Very high98.6Very high26 Ų2654 Ų5413%0.13331%0.307CS..EExtended strand (participates in β ladder)trans-72.5115.6165.2-56.6169.9000106.9F24 E28 T37 L77 R141F24-I34 HydrophobicContact CB-CD1 4.09Å; F24-I34 HydrophobicContact CD1-CD1 4.15Å; F24-I34 HydrophobicContact CD2-CD1 3.67Å; F24-I34 HydrophobicContact CE1-CD1 4.46Å; F24-I34 HydrophobicContact CE2-CD1 4.04Å; F24-I34 HydrophobicContact CG-CD1 3.72Å; F24-I34 HydrophobicContact CZ-CD1 4.41Å; E28-I34 HydrophobicContact CG-CD1 4.4Å; I34-T37 HydrophobicContact CG2-CG2 4.27Å; I34-L77 HydrophobicContact CG1-CD2 3.74Å; I34-R141 PolarHBondContact O-NE 2.86Å; I34-R141 PolarHBondContact O-NH2 3.02Å
35V98.7Very high98.6Very high5 Ų558.9 Ų58.93%0.0333%0.33CS..EExtended strand (participates in β ladder)trans-116.51.1-178-65.80000112.8K33 V76 E78 V138 C139K33-V35 HydrophobicContact CB-CG1 4.08Å; K33-V35 PolarHBondContact O-N 2.89Å; V35-V76 HydrophobicContact CG2-CB 3.96Å; V35-V76 HydrophobicContact CG2-CG1 3.67Å; V35-V76 WeakPolarHBondContact CG2-O 3.47Å; V35-V76 PolarHBondContact N-O 3.33Å; V35-E78 HydrophobicContact CG1-CB 3.89Å; V35-E78 HydrophobicContact CG2-CB 3.8Å; V35-V138 HydrophobicContact CB-CG1 4.22Å; V35-V138 HydrophobicContact CG2-CG1 3.87Å; V35-V138 CarbonylContact O-C 3.59Å; V35-V138 WeakPolarHBondContact O-CA 3.28Å; V35-C139 PolarHBondContact O-N 3.38Å
36G98.7Very high98.6Very high7 Ų760.3 Ų60.37%0.07233%0.329CS..EExtended strand (participates in β ladder)trans-164.5137.6168.400000108S75 V76G36-S75 CarbonylContact O-C 3.53Å; G36-S75 WeakPolarHBondContact O-CA 3.44Å; G36-V76 PolarHBondContact O-N 3.24Å
37T98.9Very high98.6Very high74 Ų7455.9 Ų55.945%0.45431%0.312SS..EExtended strand (participates in β ladder)trans-155.8141.4174.1-171.30000111.2I34 V74 S75I34-T37 HydrophobicContact CG2-CG2 4.27Å; T37-V74 VanDerWaalsContact CA-O 3.26Å; T37-V74 WeakPolarHBondContact CA-O 3.18Å; T37-V74 PolarHBondContact OG1-O 3.07Å; T37-S75 PolarHBondContact OG1-OG 3.46Å; T37-S75 VanDerWaalsContact OG1-OG 3.07Å
38K98.7Very high98.5Very high55 Ų5561.3 Ų61.324%0.23933%0.332CS..EExtended strand (participates in β ladder)trans-154147.9171.355-172.4173.5-172.10111.3L40 V74 F132 F133 E137K38-L40 HydrophobicContact CD-CD1 4.48Å; K38-L40 HydrophobicContact CD-CD2 4.18Å; K38-L40 HydrophobicContact CG-CD1 4.25Å; K38-L40 HydrophobicContact CG-CD2 4.28Å; K38-L40 HydrophobicContact CG-CG 4.18Å; K38-V74 HydrophobicContact CG-CG2 3.57Å; K38-V74 PolarHBondContact N-O 2.88Å; K38-V74 WeakPolarHBondContact O-CG2 3.46Å; K38-V74 PolarHBondContact O-N 2.83Å; K38-F132 WeakPolarHBondContact CE-O 3.49Å; K38-F132 PolarHBondContact NZ-O 3.45Å; K38-F133 HydrophobicContact CG-CE1 4.3Å; K38-E137 VanDerWaalsContact NZ-CD 3.25Å; K38-E137 IonicContact NZ-OE1 3.38Å; K38-E137 PolarHBondContact NZ-OE1 2.74Å; K38-E137 IonicContact NZ-OE2 2.88Å; K38-E137 PolarHBondContact NZ-OE2 2.88Å
39M98.9Very high98.5Very high109 Ų10957.6 Ų57.654%0.53732%0.324SS..EExtended strand (participates in β ladder)trans-89.7136.4170.2-178.9171.9-79.400109.2V15 I20 P71 I72 V73V15-M39 HydrophobicContact CG1-CE 4.31Å; I20-M39 HydrophobicContact CD1-CE 3.7Å; M39-P71 HydrophobicContact CG-CB 4.15Å; M39-P71 HydrophobicContact SD-CB 4.24Å; M39-I72 VanDerWaalsContact CA-O 3.3Å; M39-I72 WeakPolarHBondContact CA-O 3.34Å; M39-I72 WeakPolarHBondContact CG-O 3.42Å; M39-V73 HydrophobicContact CB-CG2 4.39Å; M39-V73 HydrophobicContact CE-CG2 3.64Å; M39-V73 HydrophobicContact CG-CG2 4.49Å
40L98.5Very high98.5Very high48 Ų4853.4 Ų53.425%0.25129%0.289SS..EExtended strand (participates in β ladder)trans-140.2148.2-177.8-58169.9000109.1K38 P71 I72 V74 F132K38-L40 HydrophobicContact CD-CD1 4.48Å; K38-L40 HydrophobicContact CD-CD2 4.18Å; K38-L40 HydrophobicContact CG-CD1 4.25Å; K38-L40 HydrophobicContact CG-CD2 4.28Å; K38-L40 HydrophobicContact CG-CG 4.18Å; L40-P71 CarbonylContact O-C 3.52Å; L40-P71 VanDerWaalsContact O-CA 3.29Å; L40-P71 WeakPolarHBondContact O-CA 3.44Å; L40-I72 HydrophobicContact CB-CG1 4.29Å; L40-I72 PolarHBondContact N-O 2.86Å; L40-I72 PolarHBondContact O-N 3.13Å; L40-V74 HydrophobicContact CD1-CG1 4.32Å; L40-V74 HydrophobicContact CD1-CG2 3.75Å; L40-V74 HydrophobicContact CG-CG2 4.46Å; L40-F132 HydrophobicContact CD1-CD1 3.85Å; L40-F132 HydrophobicContact CD1-CE1 4.1Å
41H98.8Very high98.4Very high112 Ų11251.9 Ų51.952%0.51928%0.275SS..  trans-105110.1160-161.8148.6000106.8T68H41-T68 PolarHBondContact NE2-O 2.76Å
42L98.6Very high98.3Very high5 Ų552.5 Ų52.53%0.02628%0.275CS..  trans-66.6137.5-175.7-64.8-175.1000111.2Q46 A47 M67 T68 I72 F132L42-Q46 HydrophobicContact CD2-CB 4.19Å; L42-A47 HydrophobicContact CB-CB 4.45Å; L42-A47 HydrophobicContact CD1-CB 4.2Å; L42-M67 HydrophobicContact CD1-CE 4.34Å; L42-T68 HydrophobicContact CB-CG2 4.21Å; L42-T68 WeakPolarHBondContact O-CG2 3.34Å; L42-I72 HydrophobicContact CD1-CD1 3.6Å; L42-I72 HydrophobicContact CD2-CD1 3.83Å; L42-I72 HydrophobicContact CG-CD1 3.59Å; L42-I72 HydrophobicContact CG-CG1 4.18Å; L42-F132 HydrophobicContact CD2-CE1 3.68Å; L42-F132 HydrophobicContact CD2-CZ 4.04Å
43T98.7Very high98Very high62 Ų6257 Ų5738%0.3830%0.296SS..  trans-74.5162.3160.983.10000110.2E45 Q46 A47T43-E45 VanDerWaalsContact CB-OE2 3.24Å; T43-E45 WeakPolarHBondContact CB-OE2 3.5Å; T43-E45 PolarHBondContact O-N 3.38Å; T43-E45 PolarHBondContact OG1-N 3.17Å; T43-E45 PolarHBondContact OG1-OE2 3.42Å; T43-Q46 PolarHBondContact O-N 3.09Å; T43-Q46 PolarHBondContact OG1-N 3.33Å; T43-A47 PolarHBondContact O-N 2.95Å
44V98.4Very high97.7Very high63 Ų6355.1 Ų55.138%0.38229%0.289SS..Hα-helixtrans-58.5-39.8175.1175.10000110.9A47 R48 V64 T68V44-A47 PolarHBondContact O-N 2.93Å; V44-R48 HydrophobicContact CG1-CG 4.46Å; V44-R48 WeakPolarHBondContact O-CB 3.17Å; V44-R48 WeakPolarHBondContact O-CG 3.2Å; V44-R48 PolarHBondContact O-N 2.9Å; V44-V64 HydrophobicContact CG1-CG1 3.92Å; V44-T68 HydrophobicContact CG2-CG2 4.34Å
45E98.3Very high97.5Very high139 Ų13959.7 Ų59.765%0.6531%0.314SS*.Hα-helixtrans-63.7-42.3177.3-58.574.5-160.800111.6T43 G49T43-E45 VanDerWaalsContact CB-OE2 3.24Å; T43-E45 WeakPolarHBondContact CB-OE2 3.5Å; T43-E45 PolarHBondContact O-N 3.38Å; T43-E45 PolarHBondContact OG1-N 3.17Å; T43-E45 PolarHBondContact OG1-OE2 3.42Å; E45-G49 PolarHBondContact O-N 2.6Å
46Q98.3Very high97.3Very high79 Ų7962.9 Ų62.937%0.36935%0.348SS..Hα-helixtrans-66.1-45.2177-69.2175.1-34.300111.7L42 T43 G49 F50 Y131L42-Q46 HydrophobicContact CD2-CB 4.19Å; T43-Q46 PolarHBondContact O-N 3.09Å; T43-Q46 PolarHBondContact OG1-N 3.33Å; Q46-G49 PolarHBondContact O-N 3.38Å; Q46-F50 WeakPolarHBondContact O-CB 3.41Å; Q46-F50 PolarHBondContact O-N 3.48Å; Q46-Y131 WeakPolarHBondContact CA-OH 3.48Å; Q46-Y131 PolarHBondContact O-OH 3.02Å
47A98.4Very high97.1Very high0 Ų067.9 Ų67.90%037%0.367CS..Hα-helixtrans-63.4-44.2178.100000111.8L42 T43 V44 F50 Y51 V64 M67 T68L42-A47 HydrophobicContact CB-CB 4.45Å; L42-A47 HydrophobicContact CD1-CB 4.2Å; T43-A47 PolarHBondContact O-N 2.95Å; V44-A47 PolarHBondContact O-N 2.93Å; A47-F50 PolarHBondContact O-N 3.29Å; A47-Y51 WeakPolarHBondContact O-CD2 3.48Å; A47-Y51 PolarHBondContact O-N 3.46Å; A47-Y51 VanDerWaalsContact O-N 3.1Å; A47-V64 HydrophobicContact CB-CG1 4.16Å; A47-M67 HydrophobicContact CB-CB 4.43Å; A47-T68 HydrophobicContact CB-CG2 3.59Å
48R98.2Very high97Very high114 Ų11470.8 Ų70.843%0.4339%0.387SS..Hα-helixtrans-64-42.3175.3-78.9-175.3154.1163.9-4.5112.5V44 Y51 A52 F60 D61 V64V44-R48 HydrophobicContact CG1-CG 4.46Å; V44-R48 WeakPolarHBondContact O-CB 3.17Å; V44-R48 WeakPolarHBondContact O-CG 3.2Å; V44-R48 PolarHBondContact O-N 2.9Å; R48-Y51 CarbonylContact O-C 3.58Å; R48-Y51 PolarHBondContact O-N 2.84Å; R48-A52 WeakPolarHBondContact O-CA 3.35Å; R48-A52 PolarHBondContact O-N 2.92Å; R48-F60 HydrophobicContact CB-CZ 4.12Å; R48-F60 HydrophobicContact CG-CE1 4.05Å; R48-F60 HydrophobicContact CG-CZ 3.88Å; R48-D61 IonicContact CZ-OD1 3.17Å; R48-D61 IonicContact NH2-OD1 2.64Å; R48-D61 PolarHBondContact NH2-OD1 3.2Å; R48-V64 HydrophobicContact CG-CB 4.41Å; R48-V64 HydrophobicContact CG-CG1 3.92Å; R48-V64 HydrophobicContact CG-CG2 3.61Å
49G98Very high96.7Very high32 Ų3273.4 Ų73.433%0.3340%0.399SS..Hα-helixtrans-64.5-40.2178.600000112.5E45 Q46 A52 Y131E45-G49 PolarHBondContact O-N 2.6Å; Q46-G49 PolarHBondContact O-N 3.38Å; G49-A52 WeakPolarHBondContact O-CB 3.44Å; G49-Y131 WeakPolarHBondContact CA-OH 3.34Å
50F97.7Very high96.6Very high2 Ų268.6 Ų68.61%0.00938%0.375CS..Hα-helixtrans-65.4-45.2176.5-177.8-108.9000112.2F7 I9 Q46 A47 A52 H117 E128 Y131 F132F7-F50 HydrophobicContact CD1-CE2 4.17Å; F7-F50 AromaticContact CD1-CZ 3.88Å; F7-F50 HydrophobicContact CD1-CZ 3.88Å; F7-F50 HydrophobicContact CE1-CE1 4.39Å; F7-F50 AromaticContact CE1-CE2 3.74Å; F7-F50 HydrophobicContact CE1-CE2 3.74Å; F7-F50 AromaticContact CE1-CZ 3.49Å; F7-F50 HydrophobicContact CE1-CZ 3.49Å; F7-F50 VanDerWaalsContact CE1-CZ 3.49Å; F7-F50 HydrophobicContact CZ-CE2 4.44Å; I9-F50 HydrophobicContact CD1-CD1 4.46Å; I9-F50 HydrophobicContact CD1-CE1 3.8Å; I9-F50 HydrophobicContact CD1-CZ 4.16Å; Q46-F50 WeakPolarHBondContact O-CB 3.41Å; Q46-F50 PolarHBondContact O-N 3.48Å; A47-F50 PolarHBondContact O-N 3.29Å; F50-A52 VanDerWaalsContact C-N 3.35Å; F50-A52 PolarHBondContact O-N 3.27Å; F50-H117 AromaticContact CE1-CE1 3.98Å; F50-H117 AromaticContact CZ-NE2 3.74Å; F50-E128 HydrophobicContact CE2-CB 3.77Å; F50-E128 HydrophobicContact CE2-CG 3.54Å; F50-E128 HydrophobicContact CZ-CB 4.23Å; F50-E128 HydrophobicContact CZ-CG 3.75Å; F50-Y131 HydrophobicContact CB-CD1 4.16Å; F50-Y131 HydrophobicContact CB-CE1 3.8Å; F50-Y131 AromaticContact CD2-CD1 3.83Å; F50-Y131 HydrophobicContact CD2-CD1 3.83Å; F50-Y131 HydrophobicContact CD2-CE1 4.35Å; F50-Y131 HydrophobicContact CD2-CG 4.1Å; F50-Y131 HydrophobicContact CG-CD1 4.45Å; F50-Y131 PolarHBondContact N-OH 3.15Å; F50-F132 HydrophobicContact CB-CE2 4.37Å; F50-F132 HydrophobicContact CB-CZ 4.37Å; F50-F132 HydrophobicContact CD1-CE2 4.38Å; F50-F132 HydrophobicContact CD2-CD2 4.01Å; F50-F132 AromaticContact CD2-CE2 3.28Å; F50-F132 HydrophobicContact CD2-CE2 3.28Å; F50-F132 HydrophobicContact CD2-CZ 4.08Å; F50-F132 AromaticContact CE2-CD2 3.99Å; F50-F132 HydrophobicContact CE2-CD2 3.99Å; F50-F132 AromaticContact CE2-CE2 3.49Å; F50-F132 HydrophobicContact CE2-CE2 3.49Å; F50-F132 VanDerWaalsContact CE2-CE2 3.49Å; F50-F132 AromaticContact CG-CE2 3.76Å; F50-F132 HydrophobicContact CG-CE2 3.76Å; F50-F132 HydrophobicContact CG-CZ 4.16Å; F50-F132 HydrophobicContact CZ-CE2 4.17Å
51Y95.9Very high96.5Very high8 Ų871 Ų713%0.03139%0.389CS..THydrogen-bonded Turntrans-93.422.6-179.1-68.9-65.7000113.9A47 R48 E53 H54 F60 L63 M67 H117A47-Y51 WeakPolarHBondContact O-CD2 3.48Å; A47-Y51 PolarHBondContact O-N 3.46Å; A47-Y51 VanDerWaalsContact O-N 3.1Å; R48-Y51 CarbonylContact O-C 3.58Å; R48-Y51 PolarHBondContact O-N 2.84Å; Y51-E53 PolarHBondContact O-N 3.14Å; Y51-H54 WeakPolarHBondContact O-CB 3.27Å; Y51-H54 PolarHBondContact O-N 3.14Å; Y51-F60 WeakPolarHBondContact O-CE2 3.48Å; Y51-L63 HydrophobicContact CD1-CD2 3.74Å; Y51-L63 HydrophobicContact CD2-CD2 3.89Å; Y51-L63 HydrophobicContact CD2-CG 4.1Å; Y51-L63 HydrophobicContact CE1-CD2 4.12Å; Y51-L63 HydrophobicContact CE2-CD1 4.26Å; Y51-L63 HydrophobicContact CE2-CD2 4.26Å; Y51-L63 HydrophobicContact CE2-CG 4.25Å; Y51-L63 HydrophobicContact CG-CD2 3.62Å; Y51-L63 HydrophobicContact CG-CG 4.34Å; Y51-M67 HydrophobicContact CE2-CB 4.45Å; Y51-M67 HydrophobicContact CE2-CE 4.16Å; Y51-M67 HydrophobicContact CE2-CG 3.76Å; Y51-M67 HydrophobicContact CE2-SD 4.44Å; Y51-H117 PolarHBondContact OH-ND1 3.18Å
52A95.9Very high96.4Very high59 Ų5967.4 Ų67.449%0.48838%0.381SS..G310 helixtrans-57.8-25.4-173.600000113.8R48 G49 F50 H54 D55R48-A52 WeakPolarHBondContact O-CA 3.35Å; R48-A52 PolarHBondContact O-N 2.92Å; G49-A52 WeakPolarHBondContact O-CB 3.44Å; F50-A52 VanDerWaalsContact C-N 3.35Å; F50-A52 PolarHBondContact O-N 3.27Å; A52-H54 PolarHBondContact O-N 3.45Å; A52-D55 VanDerWaalsContact O-CB 3.32Å; A52-D55 WeakPolarHBondContact O-CB 3.35Å; A52-D55 PolarHBondContact O-N 3.01Å; A52-D55 VanDerWaalsContact O-N 3.11Å
53E92.8Very high96.3Very high102 Ų10268.1 Ų68.148%0.47739%0.385SS..G310 helixtrans-66.4-13.4174.470.4-168.3132.300114.3Y51 R127Y51-E53 PolarHBondContact O-N 3.14Å; E53-R127 IonicContact OE1-CZ 3.81Å; E53-R127 IonicContact OE1-NH1 3.83Å; E53-R127 IonicContact OE1-NH2 2.87Å; E53-R127 PolarHBondContact OE1-NH2 2.83Å; E53-R127 IonicContact OE2-NH2 3.31Å; E53-R127 PolarHBondContact OE2-NH2 3.07Å
54H93Very high96.2Very high57 Ų5765.5 Ų65.526%0.26437%0.369SS..G310 helixtrans-102.65.4175.4-60.7-21.8000112.8Y51 A52 G56 K57 F59 F60Y51-H54 WeakPolarHBondContact O-CB 3.27Å; Y51-H54 PolarHBondContact O-N 3.14Å; A52-H54 PolarHBondContact O-N 3.45Å; H54-G56 PolarHBondContact O-N 2.87Å; H54-K57 HydrophobicContact CB-CG 4.29Å; H54-K57 WeakPolarHBondContact O-CB 3.37Å; H54-K57 VanDerWaalsContact O-CG 3.23Å; H54-K57 WeakPolarHBondContact O-CG 3.46Å; H54-K57 PolarHBondContact O-N 3.14Å; H54-F59 HydrophobicContact CB-CE2 4.07Å; H54-F60 HydrophobicContact CB-CD2 3.83Å; H54-F60 HydrophobicContact CB-CE2 4.35Å; H54-F60 WeakPolarHBondContact O-CB 3.43Å; H54-F60 WeakPolarHBondContact O-CG 3.38Å
55D93.6Very high96.2Very high122 Ų12269.3 Ų69.365%0.65238%0.382SS*.THydrogen-bonded Turntrans-58.3138.3176.2-165.99.3000110.9A52 K57 F60A52-D55 VanDerWaalsContact O-CB 3.32Å; A52-D55 WeakPolarHBondContact O-CB 3.35Å; A52-D55 PolarHBondContact O-N 3.01Å; A52-D55 VanDerWaalsContact O-N 3.11Å; D55-K57 VanDerWaalsContact C-N 3.26Å; D55-K57 PolarHBondContact O-N 3.29Å; D55-F60 HydrophobicContact CB-CE1 4.14Å; D55-F60 HydrophobicContact CB-CZ 4.38Å
56G94.8Very high96.2Very high72 Ų7263.4 Ų63.474%0.74236%0.355SS*.THydrogen-bonded Turntrans75.7-1.9-171.900000115.8H54H54-G56 PolarHBondContact O-N 2.87Å
57K95.8Very high96.2Very high111 Ų11159.7 Ų59.748%0.48334%0.337SS..  trans-76.8143.2171.5-61.2-65.8-177.7-177.20110.6H54 D55 F59 F60H54-K57 HydrophobicContact CB-CG 4.29Å; H54-K57 WeakPolarHBondContact O-CB 3.37Å; H54-K57 VanDerWaalsContact O-CG 3.23Å; H54-K57 WeakPolarHBondContact O-CG 3.46Å; H54-K57 PolarHBondContact O-N 3.14Å; D55-K57 VanDerWaalsContact C-N 3.26Å; D55-K57 PolarHBondContact O-N 3.29Å; K57-F59 HydrophobicContact CB-CD1 4.04Å; K57-F59 HydrophobicContact CB-CD2 4.45Å; K57-F59 HydrophobicContact CB-CE1 3.66Å; K57-F59 HydrophobicContact CB-CE2 4.09Å; K57-F59 HydrophobicContact CB-CG 4.43Å; K57-F59 HydrophobicContact CB-CZ 3.68Å; K57-F59 HydrophobicContact CD-CE1 4.47Å; K57-F59 HydrophobicContact CG-CE1 4.1Å; K57-F59 HydrophobicContact CG-CZ 3.88Å; K57-F59 PolarHBondContact O-N 3.35Å; K57-F60 VanDerWaalsContact O-CB 3.27Å; K57-F60 WeakPolarHBondContact O-CB 3.49Å; K57-F60 PolarHBondContact O-N 2.95Å
58P95.5Very high96.2Very high135 Ų13561 Ų6188%0.87735%0.345SS*.THydrogen-bonded Turntrans-58.5-22.5-177.7-25.633.5000115.3
59F93.2Very high96.2Very high110 Ų11059.4 Ų59.448%0.48235%0.352SS..THydrogen-bonded Turntrans-94.9-2.6-179.458.9-101.6000113.6H54 K57 G62 L63H54-F59 HydrophobicContact CB-CE2 4.07Å; K57-F59 HydrophobicContact CB-CD1 4.04Å; K57-F59 HydrophobicContact CB-CD2 4.45Å; K57-F59 HydrophobicContact CB-CE1 3.66Å; K57-F59 HydrophobicContact CB-CE2 4.09Å; K57-F59 HydrophobicContact CB-CG 4.43Å; K57-F59 HydrophobicContact CB-CZ 3.68Å; K57-F59 HydrophobicContact CD-CE1 4.47Å; K57-F59 HydrophobicContact CG-CE1 4.1Å; K57-F59 HydrophobicContact CG-CZ 3.88Å; K57-F59 PolarHBondContact O-N 3.35Å; F59-G62 PolarHBondContact O-N 3.19Å; F59-L63 WeakPolarHBondContact O-CB 3.49Å; F59-L63 PolarHBondContact O-N 3.45Å
60F95.7Very high96.3Very high8 Ų858.4 Ų58.44%0.03534%0.341CS..Hα-helixtrans-64-47.5-169.4-177.2-124.6000112.7R48 Y51 H54 D55 K57 G62 L63 V64R48-F60 HydrophobicContact CB-CZ 4.12Å; R48-F60 HydrophobicContact CG-CE1 4.05Å; R48-F60 HydrophobicContact CG-CZ 3.88Å; Y51-F60 WeakPolarHBondContact O-CE2 3.48Å; H54-F60 HydrophobicContact CB-CD2 3.83Å; H54-F60 HydrophobicContact CB-CE2 4.35Å; H54-F60 WeakPolarHBondContact O-CB 3.43Å; H54-F60 WeakPolarHBondContact O-CG 3.38Å; D55-F60 HydrophobicContact CB-CE1 4.14Å; D55-F60 HydrophobicContact CB-CZ 4.38Å; K57-F60 VanDerWaalsContact O-CB 3.27Å; K57-F60 WeakPolarHBondContact O-CB 3.49Å; K57-F60 PolarHBondContact O-N 2.95Å; F60-G62 VanDerWaalsContact C-N 3.34Å; F60-G62 PolarHBondContact O-N 2.87Å; F60-L63 WeakPolarHBondContact O-CB 3.41Å; F60-L63 PolarHBondContact O-N 2.91Å; F60-V64 HydrophobicContact CD2-CG2 4.27Å; F60-V64 HydrophobicContact CE1-CG2 4.42Å; F60-V64 HydrophobicContact CE2-CG2 3.96Å; F60-V64 HydrophobicContact CZ-CG2 4.06Å; F60-V64 WeakPolarHBondContact O-CG2 3.48Å; F60-V64 PolarHBondContact O-N 3.07Å
61D96.5Very high96.3Very high100 Ų10060.8 Ų60.854%0.53536%0.357SS..Hα-helixtrans-64.2-40.2-179.8-70.5-33.7000111.7R48 L63 V64 E65R48-D61 IonicContact CZ-OD1 3.17Å; R48-D61 IonicContact NH2-OD1 2.64Å; R48-D61 PolarHBondContact NH2-OD1 3.2Å; D61-L63 VanDerWaalsContact C-N 3.35Å; D61-L63 PolarHBondContact O-N 3.1Å; D61-V64 PolarHBondContact O-N 3.05Å; D61-E65 WeakPolarHBondContact O-CB 3.42Å; D61-E65 PolarHBondContact O-N 2.64Å
62G96.6Very high96.5Very high35 Ų3560.4 Ų60.436%0.36136%0.355SS..Hα-helixtrans-66-34.9174.900000113.3F59 F60 F66F59-G62 PolarHBondContact O-N 3.19Å; F60-G62 VanDerWaalsContact C-N 3.34Å; F60-G62 PolarHBondContact O-N 2.87Å; G62-F66 WeakPolarHBondContact O-CB 3.32Å; G62-F66 PolarHBondContact O-N 3.38Å
63L96.3Very high96.6Very high21 Ų2157.9 Ų57.911%0.1133%0.334CS..Hα-helixtrans-64.1-44.3172.5172.864.5000111.3Y51 F59 F60 D61 F66 M67Y51-L63 HydrophobicContact CD1-CD2 3.74Å; Y51-L63 HydrophobicContact CD2-CD2 3.89Å; Y51-L63 HydrophobicContact CD2-CG 4.1Å; Y51-L63 HydrophobicContact CE1-CD2 4.12Å; Y51-L63 HydrophobicContact CE2-CD1 4.26Å; Y51-L63 HydrophobicContact CE2-CD2 4.26Å; Y51-L63 HydrophobicContact CE2-CG 4.25Å; Y51-L63 HydrophobicContact CG-CD2 3.62Å; Y51-L63 HydrophobicContact CG-CG 4.34Å; F59-L63 WeakPolarHBondContact O-CB 3.49Å; F59-L63 PolarHBondContact O-N 3.45Å; F60-L63 WeakPolarHBondContact O-CB 3.41Å; F60-L63 PolarHBondContact O-N 2.91Å; D61-L63 VanDerWaalsContact C-N 3.35Å; D61-L63 PolarHBondContact O-N 3.1Å; L63-F66 PolarHBondContact O-N 3.48Å; L63-M67 HydrophobicContact CD1-CG 3.93Å; L63-M67 HydrophobicContact CG-CG 4.5Å; L63-M67 WeakPolarHBondContact O-CB 3.48Å; L63-M67 VanDerWaalsContact O-CG 3.22Å; L63-M67 WeakPolarHBondContact O-CG 3.13Å; L63-M67 PolarHBondContact O-N 3.44Å
64V97.8Very high96.9Very high6 Ų653 Ų534%0.03631%0.311CS..Hα-helixtrans-65.8-46178.8170.60000110.9V44 A47 R48 F60 D61 F66 M67 T68V44-V64 HydrophobicContact CG1-CG1 3.92Å; A47-V64 HydrophobicContact CB-CG1 4.16Å; R48-V64 HydrophobicContact CG-CB 4.41Å; R48-V64 HydrophobicContact CG-CG1 3.92Å; R48-V64 HydrophobicContact CG-CG2 3.61Å; F60-V64 HydrophobicContact CD2-CG2 4.27Å; F60-V64 HydrophobicContact CE1-CG2 4.42Å; F60-V64 HydrophobicContact CE2-CG2 3.96Å; F60-V64 HydrophobicContact CZ-CG2 4.06Å; F60-V64 WeakPolarHBondContact O-CG2 3.48Å; F60-V64 PolarHBondContact O-N 3.07Å; D61-V64 PolarHBondContact O-N 3.05Å; V64-F66 VanDerWaalsContact C-N 3.33Å; V64-F66 PolarHBondContact O-N 3.39Å; V64-M67 PolarHBondContact O-N 2.68Å; V64-T68 WeakPolarHBondContact O-CB 3.41Å; V64-T68 WeakPolarHBondContact O-CG2 3.43Å; V64-T68 PolarHBondContact O-N 2.96Å; V64-T68 PolarHBondContact O-OG1 2.98Å
65E98.1Very high97.2Very high143 Ų14350.3 Ų50.367%0.66830%0.299SS*.Hα-helixtrans-56.6-48.8175.7-177.3177.7-169.500110.7D61 T68 S69D61-E65 WeakPolarHBondContact O-CB 3.42Å; D61-E65 PolarHBondContact O-N 2.64Å; E65-T68 PolarHBondContact O-N 2.96Å; E65-T68 PolarHBondContact O-OG1 3.03Å; E65-S69 PolarHBondContact O-N 2.95Å
66F98.3Very high97.4Very high16 Ų1644.5 Ų44.57%0.0727%0.268CS..Hα-helixtrans-61.1-49.6177169.5-129.3000112.4K11 P12 N13 G62 L63 V64 T68 S69 T112 E113K11-F66 HydrophobicContact CB-CE1 4.17Å; K11-F66 HydrophobicContact CB-CZ 3.95Å; K11-F66 HydrophobicContact CD-CE1 3.63Å; K11-F66 HydrophobicContact CD-CZ 4.21Å; P12-F66 HydrophobicContact CB-CE2 4.22Å; P12-F66 HydrophobicContact CG-CE2 4.42Å; P12-F66 WeakPolarHBondContact CG-O 3.33Å; N13-F66 HydrophobicContact CB-CE2 4.07Å; N13-F66 HydrophobicContact CB-CZ 4.17Å; N13-F66 WeakPolarHBondContact OD1-CZ 3.41Å; G62-F66 WeakPolarHBondContact O-CB 3.32Å; G62-F66 PolarHBondContact O-N 3.38Å; L63-F66 PolarHBondContact O-N 3.48Å; V64-F66 VanDerWaalsContact C-N 3.33Å; V64-F66 PolarHBondContact O-N 3.39Å; F66-T68 PolarHBondContact O-N 2.95Å; F66-T68 VanDerWaalsContact O-N 3.15Å; F66-S69 WeakPolarHBondContact O-CB 3.48Å; F66-S69 PolarHBondContact O-N 3.28Å; F66-S69 VanDerWaalsContact O-N 3.1Å; F66-S69 PolarHBondContact O-OG 3.49Å; F66-T112 HydrophobicContact CB-CG2 4.37Å; F66-T112 HydrophobicContact CD1-CG2 4.16Å; F66-T112 VanDerWaalsContact CE1-O 3.27Å; F66-T112 WeakPolarHBondContact CE1-O 3.38Å; F66-T112 HydrophobicContact CG-CG2 4.47Å; F66-E113 HydrophobicContact CD1-CG 4.47Å; F66-E113 HydrophobicContact CD2-CG 3.88Å; F66-E113 HydrophobicContact CE1-CB 4.42Å; F66-E113 HydrophobicContact CE1-CG 4.2Å; F66-E113 HydrophobicContact CE2-CB 4.22Å; F66-E113 HydrophobicContact CE2-CG 3.62Å; F66-E113 HydrophobicContact CG-CG 4.32Å; F66-E113 HydrophobicContact CZ-CB 3.97Å; F66-E113 HydrophobicContact CZ-CG 3.8Å
67M98.5Very high97.6Very high0 Ų041.1 Ų41.10%023%0.232CC..Hα-helixtrans-67.8-15.8-176-70.6-66-58.600113.9I9 K11 L42 A47 Y51 L63 V64 I72I9-M67 HydrophobicContact CD1-CE 3.84Å; I9-M67 HydrophobicContact CG2-CE 4.13Å; K11-M67 HydrophobicContact CB-SD 4.35Å; K11-M67 HydrophobicContact CD-SD 3.72Å; K11-M67 HydrophobicContact CG-CE 4.38Å; K11-M67 HydrophobicContact CG-SD 3.86Å; L42-M67 HydrophobicContact CD1-CE 4.34Å; A47-M67 HydrophobicContact CB-CB 4.43Å; Y51-M67 HydrophobicContact CE2-CB 4.45Å; Y51-M67 HydrophobicContact CE2-CE 4.16Å; Y51-M67 HydrophobicContact CE2-CG 3.76Å; Y51-M67 HydrophobicContact CE2-SD 4.44Å; L63-M67 HydrophobicContact CD1-CG 3.93Å; L63-M67 HydrophobicContact CG-CG 4.5Å; L63-M67 WeakPolarHBondContact O-CB 3.48Å; L63-M67 VanDerWaalsContact O-CG 3.22Å; L63-M67 WeakPolarHBondContact O-CG 3.13Å; L63-M67 PolarHBondContact O-N 3.44Å; V64-M67 PolarHBondContact O-N 2.68Å; M67-I72 HydrophobicContact CE-CD1 4.47Å; M67-I72 HydrophobicContact CE-CG2 4.14Å
68T98.5Very high97.8Very high27 Ų2737.1 Ų37.117%0.16622%0.215CC..Hα-helixtrans-104-5.2175.657.70000113.6H41 L42 V44 A47 V64 E65 F66 G70H41-T68 PolarHBondContact NE2-O 2.76Å; L42-T68 HydrophobicContact CB-CG2 4.21Å; L42-T68 WeakPolarHBondContact O-CG2 3.34Å; V44-T68 HydrophobicContact CG2-CG2 4.34Å; A47-T68 HydrophobicContact CB-CG2 3.59Å; V64-T68 WeakPolarHBondContact O-CB 3.41Å; V64-T68 WeakPolarHBondContact O-CG2 3.43Å; V64-T68 PolarHBondContact O-N 2.96Å; V64-T68 PolarHBondContact O-OG1 2.98Å; E65-T68 PolarHBondContact O-N 2.96Å; E65-T68 PolarHBondContact O-OG1 3.03Å; F66-T68 PolarHBondContact O-N 2.95Å; F66-T68 VanDerWaalsContact O-N 3.15Å; T68-G70 PolarHBondContact O-N 3Å
69S98.6Very high97.9Very high82 Ų8231.1 Ų31.157%0.57318%0.179SC*.SBendtrans-64.8-19.7-179.667.60000114.4E65 F66E65-S69 PolarHBondContact O-N 2.95Å; F66-S69 WeakPolarHBondContact O-CB 3.48Å; F66-S69 PolarHBondContact O-N 3.28Å; F66-S69 VanDerWaalsContact O-N 3.1Å; F66-S69 PolarHBondContact O-OG 3.49Å
70G98.7Very high98.1Very high10 Ų1030.3 Ų30.310%0.10318%0.176CC..SBendtrans-169.1-179.3177.700000112.7T68T68-G70 PolarHBondContact O-N 3Å
71P98.8Very high98.2Very high52 Ų5232.2 Ų32.234%0.33819%0.187SC..  trans-64.8149179-19.932.3000112.5P12 V15 M39 L40P12-P71 WeakPolarHBondContact CA-O 2.97Å; V15-P71 WeakPolarHBondContact CB-O 3.27Å; V15-P71 HydrophobicContact CG1-CB 4.41Å; V15-P71 WeakPolarHBondContact CG2-O 3.49Å; M39-P71 HydrophobicContact CG-CB 4.15Å; M39-P71 HydrophobicContact SD-CB 4.24Å; L40-P71 CarbonylContact O-C 3.52Å; L40-P71 VanDerWaalsContact O-CA 3.29Å; L40-P71 WeakPolarHBondContact O-CA 3.44Å
72I98.9Very high98.3Very high0 Ų027.5 Ų27.50%016%0.161CC..EExtended strand (participates in β ladder)trans-118.5162.2171.164.2169.5000110.1I9 I10 P12 M39 L40 L42 M67 V74I9-I72 HydrophobicContact CG2-CB 3.77Å; I9-I72 HydrophobicContact CG2-CD1 3.74Å; I9-I72 HydrophobicContact CG2-CG1 4.27Å; I9-I72 HydrophobicContact CG2-CG2 4.16Å; I10-I72 WeakPolarHBondContact O-CA 3.26Å; I10-I72 WeakPolarHBondContact O-CB 3.37Å; P12-I72 HydrophobicContact CG-CG2 3.64Å; M39-I72 VanDerWaalsContact CA-O 3.3Å; M39-I72 WeakPolarHBondContact CA-O 3.34Å; M39-I72 WeakPolarHBondContact CG-O 3.42Å; L40-I72 HydrophobicContact CB-CG1 4.29Å; L40-I72 PolarHBondContact N-O 2.86Å; L40-I72 PolarHBondContact O-N 3.13Å; L42-I72 HydrophobicContact CD1-CD1 3.6Å; L42-I72 HydrophobicContact CD2-CD1 3.83Å; L42-I72 HydrophobicContact CG-CD1 3.59Å; L42-I72 HydrophobicContact CG-CG1 4.18Å; M67-I72 HydrophobicContact CE-CD1 4.47Å; M67-I72 HydrophobicContact CE-CG2 4.14Å; I72-V74 HydrophobicContact CD1-CG1 3.5Å; I72-V74 VanDerWaalsContact CD1-CG1 3.5Å; I72-V74 HydrophobicContact CG1-CG1 4.13Å
73V98.9Very high98.4Very high7 Ų726.2 Ų26.24%0.04215%0.147CC..EExtended strand (participates in β ladder)trans-114.3119.6164.5-177.80000108.4I9 I10 V15 I20 F24 M39I9-V73 CarbonylContact C-O 3.54Å; I9-V73 WeakPolarHBondContact CA-O 3.44Å; I10-V73 HydrophobicContact CB-CB 4.21Å; I10-V73 PolarHBondContact N-O 3.17Å; I10-V73 PolarHBondContact O-N 2.87Å; I10-V73 VanDerWaalsContact O-N 3.09Å; V15-V73 HydrophobicContact CG2-CG2 4.27Å; I20-V73 HydrophobicContact CD1-CG2 3.75Å; I20-V73 HydrophobicContact CG1-CG2 4.15Å; I20-V73 HydrophobicContact CG2-CG2 4.29Å; F24-V73 HydrophobicContact CE1-CG1 4.32Å; F24-V73 HydrophobicContact CE2-CG1 4.45Å; F24-V73 HydrophobicContact CZ-CG1 3.62Å; M39-V73 HydrophobicContact CB-CG2 4.39Å; M39-V73 HydrophobicContact CE-CG2 3.64Å; M39-V73 HydrophobicContact CG-CG2 4.49Å
74V98.9Very high98.4Very high0 Ų029 Ų290%016%0.159CC..EExtended strand (participates in β ladder)trans-99.3142.5174.2-60.10000109.5F7 S8 I9 T37 K38 L40 I72 F132 F133F7-V74 HydrophobicContact CE2-CB 3.77Å; F7-V74 HydrophobicContact CE2-CG1 4.22Å; F7-V74 HydrophobicContact CZ-CB 3.77Å; F7-V74 HydrophobicContact CZ-CG1 3.7Å; S8-V74 CarbonylContact O-C 3.54Å; S8-V74 WeakPolarHBondContact O-CA 3.27Å; I9-V74 HydrophobicContact CG1-CG1 4.27Å; I9-V74 HydrophobicContact CG2-CG1 4.35Å; T37-V74 VanDerWaalsContact CA-O 3.26Å; T37-V74 WeakPolarHBondContact CA-O 3.18Å; T37-V74 PolarHBondContact OG1-O 3.07Å; K38-V74 HydrophobicContact CG-CG2 3.57Å; K38-V74 PolarHBondContact N-O 2.88Å; K38-V74 WeakPolarHBondContact O-CG2 3.46Å; K38-V74 PolarHBondContact O-N 2.83Å; L40-V74 HydrophobicContact CD1-CG1 4.32Å; L40-V74 HydrophobicContact CD1-CG2 3.75Å; L40-V74 HydrophobicContact CG-CG2 4.46Å; I72-V74 HydrophobicContact CD1-CG1 3.5Å; I72-V74 VanDerWaalsContact CD1-CG1 3.5Å; I72-V74 HydrophobicContact CG1-CG1 4.13Å; V74-F132 HydrophobicContact CG1-CD1 4.33Å; V74-F132 HydrophobicContact CG1-CE1 4.39Å; V74-F132 HydrophobicContact CG1-CG 4.41Å; V74-F132 HydrophobicContact CG1-CZ 4.47Å; V74-F132 HydrophobicContact CG2-CB 4.48Å; V74-F133 HydrophobicContact CB-CE2 4.46Å; V74-F133 HydrophobicContact CB-CZ 4.5Å; V74-F133 HydrophobicContact CG2-CE2 4.13Å; V74-F133 HydrophobicContact CG2-CZ 3.91Å
75S98.9Very high98.5Very high0 Ų032.2 Ų32.20%017%0.171CC..EExtended strand (participates in β ladder)trans-145.9150.9-178.5-53.40000112.7S8 F24 G36 T37S8-S75 PolarHBondContact N-O 3.41Å; S8-S75 PolarHBondContact O-N 2.8Å; F24-S75 VanDerWaalsContact CZ-OG 3.27Å; F24-S75 WeakPolarHBondContact CZ-OG 2.95Å; G36-S75 CarbonylContact O-C 3.53Å; G36-S75 WeakPolarHBondContact O-CA 3.44Å; T37-S75 PolarHBondContact OG1-OG 3.46Å; T37-S75 VanDerWaalsContact OG1-OG 3.07Å
76V98.9Very high98.5Very high0 Ų025.4 Ų25.40%014%0.139CC..EExtended strand (participates in β ladder)trans-103.2119.3166.6-173.20000108.1R5 V35 G36 I129 F133 V138R5-V76 HydrophobicContact CB-CG1 3.99Å; R5-V76 HydrophobicContact CG-CG1 4.17Å; V35-V76 HydrophobicContact CG2-CB 3.96Å; V35-V76 HydrophobicContact CG2-CG1 3.67Å; V35-V76 WeakPolarHBondContact CG2-O 3.47Å; V35-V76 PolarHBondContact N-O 3.33Å; G36-V76 PolarHBondContact O-N 3.24Å; V76-I129 HydrophobicContact CG1-CD1 3.84Å; V76-I129 HydrophobicContact CG1-CG1 4.23Å; V76-I129 HydrophobicContact CG2-CG1 4.16Å; V76-I129 HydrophobicContact CG2-CG2 3.99Å; V76-F133 HydrophobicContact CG2-CD1 4.26Å; V76-F133 HydrophobicContact CG2-CD2 3.45Å; V76-F133 VanDerWaalsContact CG2-CD2 3.45Å; V76-F133 HydrophobicContact CG2-CE1 4.26Å; V76-F133 HydrophobicContact CG2-CE2 3.42Å; V76-F133 VanDerWaalsContact CG2-CE2 3.42Å; V76-F133 HydrophobicContact CG2-CG 3.89Å; V76-F133 HydrophobicContact CG2-CZ 3.85Å; V76-V138 HydrophobicContact CG2-CG2 4.07Å
77L98.9Very high98.5Very high0 Ų029.8 Ų29.80%016%0.155CC..EExtended strand (participates in β ladder)trans-103.8129.3176.6-52.7-178.6000109.1R5 T6 F27 F32 K33 I34R5-L77 CarbonylContact C-O 3.5Å; R5-L77 VanDerWaalsContact CA-O 3.29Å; R5-L77 WeakPolarHBondContact CA-O 3.38Å; T6-L77 HydrophobicContact CG2-CB 3.88Å; T6-L77 HydrophobicContact CG2-CD1 4.49Å; T6-L77 PolarHBondContact N-O 2.87Å; T6-L77 PolarHBondContact O-N 3.29Å; F27-L77 HydrophobicContact CB-CD1 4.46Å; F27-L77 HydrophobicContact CB-CD2 4.48Å; F27-L77 HydrophobicContact CD1-CD1 4.06Å; F27-L77 HydrophobicContact CD2-CD1 3.96Å; F27-L77 HydrophobicContact CD2-CD2 3.98Å; F27-L77 HydrophobicContact CE1-CD1 4.23Å; F27-L77 HydrophobicContact CE2-CD1 4.14Å; F27-L77 HydrophobicContact CG-CD1 3.93Å; F27-L77 HydrophobicContact CG-CD2 4.39Å; F27-L77 HydrophobicContact CZ-CD1 4.28Å; F32-L77 HydrophobicContact CB-CB 4.38Å; F32-L77 HydrophobicContact CD1-CB 3.99Å; F32-L77 HydrophobicContact CG-CB 4.4Å; K33-L77 WeakPolarHBondContact O-CA 3.2Å; I34-L77 HydrophobicContact CG1-CD2 3.74Å
78E98.7Very high98.4Very high27 Ų2734.3 Ų34.313%0.12618%0.179CC..EExtended strand (participates in β ladder)trans-115.6139.3180-173.9179.394.300110.8I3 E4 R5 K33 V35I3-E78 HydrophobicContact CG2-CG 3.75Å; E4-E78 WeakPolarHBondContact O-CA 3.32Å; R5-E78 HydrophobicContact CG-CB 4.11Å; R5-E78 HydrophobicContact CG-CG 4.06Å; R5-E78 IonicContact CZ-OE2 3.26Å; R5-E78 VanDerWaalsContact CZ-OE2 3.26Å; R5-E78 IonicContact NE-OE2 2.79Å; R5-E78 PolarHBondContact NE-OE2 2.75Å; R5-E78 IonicContact NH2-OE2 2.76Å; R5-E78 PolarHBondContact NH2-OE2 3.37Å; K33-E78 HydrophobicContact CB-CB 4.39Å; K33-E78 PolarHBondContact N-O 3.21Å; K33-E78 PolarHBondContact O-N 3.47Å; V35-E78 HydrophobicContact CG1-CB 3.89Å; V35-E78 HydrophobicContact CG2-CB 3.8Å
79G98.1Very high98.4Very high10 Ų1034.4 Ų34.410%0.10318%0.178CC..EExtended strand (participates in β ladder)trans173175.2177.400000113E4 N81 A82E4-G79 PolarHBondContact N-O 3.45Å; E4-G79 PolarHBondContact O-N 2.74Å; E4-G79 VanDerWaalsContact O-N 3.07Å; G79-N81 PolarHBondContact O-N 3.1Å; G79-A82 WeakPolarHBondContact O-CB 3.44Å
80E97.6Very high98.4Very high92 Ų9230.6 Ų30.643%0.4315%0.152SC..EExtended strand (participates in β ladder)trans-67.1130.4172.5-69-168.1-154.300111.2M1 A2 A82 R85M1-E80 HydrophobicContact CB-CB 4.26Å; M1-E80 PolarHBondContact N-OE2 3.43Å; A2-E80 WeakPolarHBondContact O-CA 3.44Å; E80-A82 PolarHBondContact O-N 3.05Å; E80-R85 WeakPolarHBondContact O-CD 3.25Å; E80-R85 PolarHBondContact O-NH1 2.89Å
81N97.3Very high98.4Very high49 Ų4930.8 Ų30.826%0.26215%0.153SC..THydrogen-bonded Turntrans50.544.4-179.3-171.429.8000112M1 A2 E4 G79 V83 R85M1-N81 HydrophobicContact SD-CB 3.91Å; A2-N81 PolarHBondContact O-N 3.02Å; E4-N81 VanDerWaalsContact OE2-C 3.27Å; E4-N81 WeakPolarHBondContact OE2-CA 3.32Å; G79-N81 PolarHBondContact O-N 3.1Å; N81-V83 VanDerWaalsContact C-N 3.34Å; N81-V83 PolarHBondContact O-N 3.36Å; N81-R85 WeakPolarHBondContact O-CB 3.47Å; N81-R85 WeakPolarHBondContact O-CG 3.4Å; N81-R85 PolarHBondContact O-N 2.92Å; N81-R85 VanDerWaalsContact O-N 3.14Å
82A98.5Very high98.3Very high0 Ų030.2 Ų30.20%015%0.153CC..Hα-helixtrans-64.1-38.1-166.200000112.5E4 T6 F32 G79 E80 H86E4-A82 HydrophobicContact CB-CB 3.82Å; E4-A82 WeakPolarHBondContact O-CB 3.3Å; E4-A82 PolarHBondContact OE2-N 3.21Å; T6-A82 HydrophobicContact CG2-CB 4.22Å; F32-A82 HydrophobicContact CD1-CB 4.45Å; F32-A82 HydrophobicContact CE1-CB 3.91Å; G79-A82 WeakPolarHBondContact O-CB 3.44Å; E80-A82 PolarHBondContact O-N 3.05Å; A82-H86 WeakPolarHBondContact O-CB 3.37Å; A82-H86 PolarHBondContact O-N 3.04Å
83V98.4Very high98.2Very high8 Ų834.2 Ų34.25%0.04818%0.177CC..Hα-helixtrans-62.7-55.9-177.1176.70000110.3E4 N81 H86 R87 V122 A125E4-V83 PolarHBondContact OE2-N 2.89Å; N81-V83 VanDerWaalsContact C-N 3.34Å; N81-V83 PolarHBondContact O-N 3.36Å; V83-H86 PolarHBondContact O-N 3.39Å; V83-R87 WeakPolarHBondContact O-CG 3.35Å; V83-R87 PolarHBondContact O-N 2.81Å; V83-R87 VanDerWaalsContact O-N 3.14Å; V83-V122 HydrophobicContact CG2-CG2 4.13Å; V83-A125 HydrophobicContact CG2-CB 4.12Å
84Q97.9Very high98Very high79 Ų7936.5 Ų36.537%0.36919%0.19SC..Hα-helixtrans-64.9-46.2-177.5-174.858.451.600111.5H86 R87 D88Q84-H86 VanDerWaalsContact C-N 3.26Å; Q84-H86 PolarHBondContact O-N 3.01Å; Q84-R87 WeakPolarHBondContact O-CB 3.49Å; Q84-R87 PolarHBondContact O-N 3.47Å; Q84-R87 VanDerWaalsContact O-N 3.14Å; Q84-D88 PolarHBondContact NE2-OD1 3.5Å; Q84-D88 PolarHBondContact O-N 3.42Å
85R98.1Very high97.8Very high75 Ų7537.9 Ų37.928%0.28320%0.199SC..Hα-helixtrans-62.1-34.6179.9-74.3169.561.7-168.50.7112.7A30 F32 E80 N81 D88 L89A30-R85 PolarHBondContact O-NH2 3.21Å; F32-R85 HydrophobicContact CE1-CB 4.41Å; F32-R85 HydrophobicContact CE2-CB 4.39Å; F32-R85 HydrophobicContact CZ-CB 3.61Å; E80-R85 WeakPolarHBondContact O-CD 3.25Å; E80-R85 PolarHBondContact O-NH1 2.89Å; N81-R85 WeakPolarHBondContact O-CB 3.47Å; N81-R85 WeakPolarHBondContact O-CG 3.4Å; N81-R85 PolarHBondContact O-N 2.92Å; N81-R85 VanDerWaalsContact O-N 3.14Å; R85-D88 PolarHBondContact O-N 3.4Å; R85-L89 WeakPolarHBondContact O-CB 3.31Å; R85-L89 PolarHBondContact O-N 3.32Å; R85-L89 VanDerWaalsContact O-N 3.07Å
86H98.7Very high97.6Very high0 Ų041.9 Ų41.90%023%0.232CC..Hα-helixtrans-67.3-45.8177.5177.2-138.3000109.2T6 S8 F27 F32 A82 V83 Q84 D88 L89 L90 G118T6-H86 HydrophobicContact CG2-CB 3.75Å; S8-H86 PolarHBondContact OG-CE1 3.38Å; S8-H86 PolarHBondContact OG-NE2 2.79Å; F27-H86 AromaticContact CE1-CD2 3.76Å; F27-H86 AromaticContact CE1-NE2 3.62Å; F27-H86 AromaticContact CZ-NE2 3.76Å; F32-H86 HydrophobicContact CE1-CB 4.25Å; F32-H86 HydrophobicContact CZ-CB 3.91Å; A82-H86 WeakPolarHBondContact O-CB 3.37Å; A82-H86 PolarHBondContact O-N 3.04Å; V83-H86 PolarHBondContact O-N 3.39Å; Q84-H86 VanDerWaalsContact C-N 3.26Å; Q84-H86 PolarHBondContact O-N 3.01Å; H86-D88 VanDerWaalsContact C-N 3.32Å; H86-D88 PolarHBondContact O-N 2.86Å; H86-L89 WeakPolarHBondContact O-CB 3.47Å; H86-L89 PolarHBondContact O-N 3.32Å; H86-L89 VanDerWaalsContact O-N 3.14Å; H86-L90 WeakPolarHBondContact NE2-CD2 3.34Å; H86-L90 WeakPolarHBondContact O-CG 3.24Å; H86-L90 PolarHBondContact O-N 3.36Å; H86-G118 VanDerWaalsContact CE1-CA 3.46Å; H86-G118 WeakPolarHBondContact CE1-CA 3.32Å
87R98.3Very high97.5Very high108 Ų10847.4 Ų47.441%0.40826%0.261SS..Hα-helixtrans-58-42.5174.7-68178.764.6-179.7-6.1112.8V83 Q84 L89 L90 G91 D120V83-R87 WeakPolarHBondContact O-CG 3.35Å; V83-R87 PolarHBondContact O-N 2.81Å; V83-R87 VanDerWaalsContact O-N 3.14Å; Q84-R87 WeakPolarHBondContact O-CB 3.49Å; Q84-R87 PolarHBondContact O-N 3.47Å; Q84-R87 VanDerWaalsContact O-N 3.14Å; R87-L89 VanDerWaalsContact C-N 3.3Å; R87-L89 PolarHBondContact O-N 3.18Å; R87-L90 PolarHBondContact O-N 2.95Å; R87-G91 PolarHBondContact O-N 3.01Å; R87-D120 PolarHBondContact NH1-O 3.16Å
88D97.9Very high97.4Very high94 Ų9448.2 Ų48.250%0.50327%0.268SS..Hα-helixtrans-61-42.3177.3-62.7-21.9000111Q84 R85 H86 G91Q84-D88 PolarHBondContact NE2-OD1 3.5Å; Q84-D88 PolarHBondContact O-N 3.42Å; R85-D88 PolarHBondContact O-N 3.4Å; H86-D88 VanDerWaalsContact C-N 3.32Å; H86-D88 PolarHBondContact O-N 2.86Å; D88-G91 PolarHBondContact O-N 2.93Å
89L98.5Very high97.3Very high30 Ų3053.5 Ų53.516%0.15730%0.296CS..Hα-helixtrans-68.7-36.8176.6-178.360.8000112.8F27 A30 F32 R85 H86 R87 G91 T102 L103F27-L89 HydrophobicContact CD1-CD2 3.67Å; F27-L89 HydrophobicContact CE1-CD2 4.28Å; A30-L89 HydrophobicContact CB-CD2 3.83Å; F32-L89 HydrophobicContact CE2-CD2 4.23Å; R85-L89 WeakPolarHBondContact O-CB 3.31Å; R85-L89 PolarHBondContact O-N 3.32Å; R85-L89 VanDerWaalsContact O-N 3.07Å; H86-L89 WeakPolarHBondContact O-CB 3.47Å; H86-L89 PolarHBondContact O-N 3.32Å; H86-L89 VanDerWaalsContact O-N 3.14Å; R87-L89 VanDerWaalsContact C-N 3.3Å; R87-L89 PolarHBondContact O-N 3.18Å; L89-G91 VanDerWaalsContact C-N 3.32Å; L89-T102 WeakPolarHBondContact O-CA 3.36Å; L89-L103 HydrophobicContact CG-CD1 4.21Å; L89-L103 HydrophobicContact CG-CG 4.38Å; L89-L103 PolarHBondContact O-N 3.26Å
90L98.6Very high97.3Very high2 Ų257.9 Ų57.91%0.0133%0.331CS..Hα-helixtrans-63.1-40.6174.5-64.6-168.7000111.2F27 H86 R87 L103 R104 T116F27-L90 HydrophobicContact CE1-CD2 4.27Å; H86-L90 WeakPolarHBondContact NE2-CD2 3.34Å; H86-L90 WeakPolarHBondContact O-CG 3.24Å; H86-L90 PolarHBondContact O-N 3.36Å; R87-L90 PolarHBondContact O-N 2.95Å; L90-L103 HydrophobicContact CD2-CD1 3.63Å; L90-L103 PolarHBondContact O-N 2.97Å; L90-R104 VanDerWaalsContact O-CB 3.25Å; L90-R104 WeakPolarHBondContact O-CB 3.4Å; L90-R104 WeakPolarHBondContact O-CG 3.43Å; L90-R104 PolarHBondContact O-N 3.32Å; L90-T116 HydrophobicContact CD2-CG2 4.25Å; L90-T116 WeakPolarHBondContact CD2-OG1 3.15Å
91G98.2Very high97.2Very high13 Ų1355 Ų5513%0.13433%0.327CS..  trans84.5-179.9-172.600000113.3R87 D88 L89 R104R87-G91 PolarHBondContact O-N 3.01Å; D88-G91 PolarHBondContact O-N 2.93Å; L89-G91 VanDerWaalsContact C-N 3.32Å; G91-R104 WeakPolarHBondContact O-CD 3.45Å; G91-R104 PolarHBondContact O-NH1 3.2Å
92A97.1Very high97.3Very high41 Ų4153.4 Ų53.434%0.33932%0.319SS..  trans-60.2141.7-178.100000112.2N94 N97 A98 R104A92-N94 CarbonylContact O-C 3.46Å; A92-N94 PolarHBondContact O-N 3.07Å; A92-N97 HydrophobicContact CB-CB 4.03Å; A92-N97 WeakPolarHBondContact CB-O 3.44Å; A92-A98 HydrophobicContact CB-CB 4.48Å; A92-R104 WeakPolarHBondContact O-CD 3.47Å
93T94.8Very high97.3Very high83 Ų8353.5 Ų53.551%0.50932%0.319SS..SBendtrans-55.1-39-177-54.80000113.1P95 R104 L111 N114T93-P95 WeakPolarHBondContact O-CD 3.3Å; T93-R104 VanDerWaalsContact CA-NH1 3.28Å; T93-R104 PolarHBondContact OG1-NH1 3.45Å; T93-L111 HydrophobicContact CG2-CD1 4.34Å; T93-N114 PolarHBondContact O-ND2 2.88Å
94N95.2Very high97.3Very high56 Ų5654.2 Ų54.230%0.29932%0.321SS..SBendtrans-82.9116.2169.2-172.9-12.8000108.9A92 A96 N97 A98 L111A92-N94 CarbonylContact O-C 3.46Å; A92-N94 PolarHBondContact O-N 3.07Å; N94-A96 PolarHBondContact O-N 2.95Å; N94-A96 WeakPolarHBondContact OD1-CB 3.22Å; N94-A96 PolarHBondContact OD1-N 3.47Å; N94-A96 VanDerWaalsContact OD1-N 3.08Å; N94-N97 PolarHBondContact O-N 2.96Å; N94-A98 PolarHBondContact O-N 3.09Å; N94-L111 HydrophobicContact CB-CD1 3.73Å
95P94.4Very high97.3Very high29 Ų2952.4 Ų52.419%0.18832%0.32CS..G310 helixtrans-61.6-25.6-179.526.4-36000113.6T93 N97 A98 R104 A108T93-P95 WeakPolarHBondContact O-CD 3.3Å; P95-N97 PolarHBondContact O-N 2.77Å; P95-N97 VanDerWaalsContact O-N 3.14Å; P95-A98 WeakPolarHBondContact O-CB 3.48Å; P95-A98 PolarHBondContact O-N 2.91Å; P95-R104 WeakPolarHBondContact CB-O 3.37Å; P95-A108 HydrophobicContact CB-CB 3.55Å; P95-A108 HydrophobicContact CG-CB 3.77Å
96A95.9Very high97.3Very high84 Ų8452.2 Ų52.269%0.69432%0.324SS*.G310 helixtrans-61.9-21.1173.500000113.3N94N94-A96 PolarHBondContact O-N 2.95Å; N94-A96 WeakPolarHBondContact OD1-CB 3.22Å; N94-A96 PolarHBondContact OD1-N 3.47Å; N94-A96 VanDerWaalsContact OD1-N 3.08Å
97N97Very high97.3Very high116 Ų11653.8 Ų53.862%0.6233%0.33SS*.G310 helixtrans-108.23.3177.8-60.6-22.7000112.3A92 N94 P95A92-N97 HydrophobicContact CB-CB 4.03Å; A92-N97 WeakPolarHBondContact CB-O 3.44Å; N94-N97 PolarHBondContact O-N 2.96Å; P95-N97 PolarHBondContact O-N 2.77Å; P95-N97 VanDerWaalsContact O-N 3.14Å
98A96.6Very high97.2Very high17 Ų1749.7 Ų49.714%0.1432%0.319CS..PPolyproline II helixtrans-81134.8-17800000110.3A92 N94 P95 R104 A105A92-A98 HydrophobicContact CB-CB 4.48Å; N94-A98 PolarHBondContact O-N 3.09Å; P95-A98 WeakPolarHBondContact O-CB 3.48Å; P95-A98 PolarHBondContact O-N 2.91Å; A98-R104 HydrophobicContact CB-CB 4.01Å; A98-A105 HydrophobicContact CB-CB 4.12Å
99L97.3Very high97.2Very high137 Ų13749.3 Ų49.372%0.71732%0.317SS*.PPolyproline II helixtrans-69.4146.4177.9-63.6176.3000110.5G101 T102 A105L99-G101 PolarHBondContact O-N 2.82Å; L99-T102 HydrophobicContact CB-CG2 4.22Å; L99-T102 WeakPolarHBondContact O-CB 3.31Å; L99-T102 VanDerWaalsContact O-CG2 3.31Å; L99-T102 WeakPolarHBondContact O-CG2 3.5Å; L99-T102 PolarHBondContact O-N 2.88Å; L99-T102 VanDerWaalsContact O-N 3.14Å; L99-T102 PolarHBondContact O-OG1 3.14Å; L99-A105 VanDerWaalsContact O-CB 3.28Å; L99-A105 WeakPolarHBondContact O-CB 3.37Å
100A97.2Very high97Very high102 Ų10250.1 Ų50.184%0.84333%0.326SS*.THydrogen-bonded Turntrans-54.5135.9177.500000111.6T102A100-T102 VanDerWaalsContact C-N 3.32Å
101G96Very high96.8Very high33 Ų3354.8 Ų54.834%0.3435%0.35SS..THydrogen-bonded Turntrans85.7-4.6-178.200000115.3L99L99-G101 PolarHBondContact O-N 2.82Å
102T98.5Very high96.5Very high15 Ų1557.6 Ų57.69%0.09236%0.364CS..SBendtrans-77155.9166.663.60000110.8L89 L99 A100 R104 A105 D106L89-T102 WeakPolarHBondContact O-CA 3.36Å; L99-T102 HydrophobicContact CB-CG2 4.22Å; L99-T102 WeakPolarHBondContact O-CB 3.31Å; L99-T102 VanDerWaalsContact O-CG2 3.31Å; L99-T102 WeakPolarHBondContact O-CG2 3.5Å; L99-T102 PolarHBondContact O-N 2.88Å; L99-T102 VanDerWaalsContact O-N 3.14Å; L99-T102 PolarHBondContact O-OG1 3.14Å; A100-T102 VanDerWaalsContact C-N 3.32Å; T102-R104 VanDerWaalsContact C-N 3.27Å; T102-R104 PolarHBondContact O-N 2.85Å; T102-A105 PolarHBondContact O-N 2.95Å; T102-A105 VanDerWaalsContact O-N 3.14Å; T102-A105 WeakPolarHBondContact OG1-CB 3.5Å; T102-A105 PolarHBondContact OG1-N 3.42Å; T102-D106 PolarHBondContact O-N 3.39Å; T102-D106 VanDerWaalsContact O-N 3.16Å
103L98.5Very high96.4Very high1 Ų159.4 Ų59.41%0.00537%0.366CS..Hα-helixtrans-62.7-34.1-177.2-63.6174000112.8I23 R26 F27 L89 L90 D106 Y107 T116I23-L103 HydrophobicContact CG1-CD2 4.29Å; I23-L103 HydrophobicContact CG2-CD1 4.01Å; I23-L103 HydrophobicContact CG2-CD2 4.43Å; R26-L103 HydrophobicContact CB-CD2 3.84Å; R26-L103 HydrophobicContact CG-CD2 3.76Å; F27-L103 HydrophobicContact CD1-CD1 4.2Å; F27-L103 HydrophobicContact CE1-CD1 3.4Å; F27-L103 VanDerWaalsContact CE1-CD1 3.4Å; F27-L103 HydrophobicContact CZ-CD1 4.03Å; L89-L103 HydrophobicContact CG-CD1 4.21Å; L89-L103 HydrophobicContact CG-CG 4.38Å; L89-L103 PolarHBondContact O-N 3.26Å; L90-L103 HydrophobicContact CD2-CD1 3.63Å; L90-L103 PolarHBondContact O-N 2.97Å; L103-D106 PolarHBondContact O-N 3.36Å; L103-Y107 HydrophobicContact CB-CD2 4.28Å; L103-Y107 HydrophobicContact CD2-CD2 3.88Å; L103-Y107 HydrophobicContact CD2-CE2 3.64Å; L103-Y107 WeakPolarHBondContact O-CB 3.21Å; L103-Y107 WeakPolarHBondContact O-CD2 3.37Å; L103-Y107 PolarHBondContact O-N 3.45Å; L103-T116 HydrophobicContact CD1-CG2 4.45Å
104R98.4Very high96.6Very high24 Ų2455.7 Ų55.79%0.09134%0.343CS..Hα-helixtrans-73.4-32176.8-72.1173.6-179.1159.6-7.6112.5L90 G91 A92 T93 P95 A98 T102 D106 A108 N114 T116L90-R104 VanDerWaalsContact O-CB 3.25Å; L90-R104 WeakPolarHBondContact O-CB 3.4Å; L90-R104 WeakPolarHBondContact O-CG 3.43Å; L90-R104 PolarHBondContact O-N 3.32Å; G91-R104 WeakPolarHBondContact O-CD 3.45Å; G91-R104 PolarHBondContact O-NH1 3.2Å; A92-R104 WeakPolarHBondContact O-CD 3.47Å; T93-R104 VanDerWaalsContact CA-NH1 3.28Å; T93-R104 PolarHBondContact OG1-NH1 3.45Å; P95-R104 WeakPolarHBondContact CB-O 3.37Å; A98-R104 HydrophobicContact CB-CB 4.01Å; T102-R104 VanDerWaalsContact C-N 3.27Å; T102-R104 PolarHBondContact O-N 2.85Å; R104-D106 VanDerWaalsContact C-N 3.29Å; R104-A108 HydrophobicContact CB-CB 4.46Å; R104-A108 WeakPolarHBondContact O-CB 3.44Å; R104-A108 PolarHBondContact O-N 3.46Å; R104-N114 HydrophobicContact CG-CB 4.49Å; R104-N114 WeakPolarHBondContact CG-O 3.4Å; R104-T116 PolarHBondContact NH2-O 3.14Å
105A97.8Very high96.7Very high41 Ų4153 Ų5334%0.33933%0.329SS..Hα-helixtrans-65.5-36.117200000111.7A98 L99 T102A98-A105 HydrophobicContact CB-CB 4.12Å; L99-A105 VanDerWaalsContact O-CB 3.28Å; L99-A105 WeakPolarHBondContact O-CB 3.37Å; T102-A105 PolarHBondContact O-N 2.95Å; T102-A105 VanDerWaalsContact O-N 3.14Å; T102-A105 WeakPolarHBondContact OG1-CB 3.5Å; T102-A105 PolarHBondContact OG1-N 3.42Å
106D98Very high96.9Very high70 Ų7051.6 Ų51.637%0.37432%0.32SS..Hα-helixtrans-91.5-30.2-172.5-65-10.1000114.2R26 T102 L103 R104R26-D106 IonicContact CZ-OD2 3.87Å; R26-D106 IonicContact NH2-OD2 2.95Å; R26-D106 PolarHBondContact NH2-OD2 3.15Å; T102-D106 PolarHBondContact O-N 3.39Å; T102-D106 VanDerWaalsContact O-N 3.16Å; L103-D106 PolarHBondContact O-N 3.36Å; R104-D106 VanDerWaalsContact C-N 3.29Å
107Y98.2Very high97Very high34 Ų3448.9 Ų48.913%0.13329%0.293CS..Hα-helixtrans-126-10.8-167.1-55.6-58.9000115.8K17 V19 N22 I23 L103K17-Y107 PolarHBondContact NZ-O 3.08Å; V19-Y107 HydrophobicContact CB-CD1 4.14Å; V19-Y107 HydrophobicContact CB-CE1 4.1Å; V19-Y107 HydrophobicContact CG1-CD1 4.16Å; V19-Y107 HydrophobicContact CG1-CE1 4.06Å; V19-Y107 HydrophobicContact CG2-CD1 3.94Å; V19-Y107 HydrophobicContact CG2-CE1 4.39Å; V19-Y107 HydrophobicContact CG2-CG 4.33Å; N22-Y107 WeakPolarHBondContact CB-OH 3.38Å; I23-Y107 HydrophobicContact CD1-CD2 4.23Å; I23-Y107 HydrophobicContact CG1-CD2 3.78Å; I23-Y107 HydrophobicContact CG1-CE2 3.86Å; I23-Y107 HydrophobicContact CG1-CG 4.43Å; L103-Y107 HydrophobicContact CB-CD2 4.28Å; L103-Y107 HydrophobicContact CD2-CD2 3.88Å; L103-Y107 HydrophobicContact CD2-CE2 3.64Å; L103-Y107 WeakPolarHBondContact O-CB 3.21Å; L103-Y107 WeakPolarHBondContact O-CD2 3.37Å; L103-Y107 PolarHBondContact O-N 3.45Å
108A97.8Very high97Very high21 Ų2144 Ų4417%0.17427%0.269CS..  trans-74.1148.9176.700000112.1P95 R104 N114P95-A108 HydrophobicContact CB-CB 3.55Å; P95-A108 HydrophobicContact CG-CB 3.77Å; R104-A108 HydrophobicContact CB-CB 4.46Å; R104-A108 WeakPolarHBondContact O-CB 3.44Å; R104-A108 PolarHBondContact O-N 3.46Å; A108-N114 HydrophobicContact CB-CB 4.32Å
109D96.7Very high97.1Very high87 Ų8743.2 Ų43.247%0.46526%0.263SS..SBendtrans-99.1-36.1169.8-65.1-64.3000111.7N13 K17 E113N13-D109 PolarHBondContact ND2-OD2 3.18Å; K17-D109 VanDerWaalsContact CE-OD1 3.28Å; K17-D109 WeakPolarHBondContact CE-OD1 3.49Å; K17-D109 VanDerWaalsContact CE-OD2 3.25Å; K17-D109 WeakPolarHBondContact CE-OD2 3.49Å; K17-D109 IonicContact NZ-OD1 2.62Å; K17-D109 PolarHBondContact NZ-OD1 3.4Å; K17-D109 IonicContact NZ-OD2 2.75Å; K17-D109 PolarHBondContact NZ-OD2 3.28Å; D109-E113 HydrophobicContact CB-CB 4.06Å; D109-E113 PolarHBondContact N-O 3.45Å
110S95.3Very high97.1Very high47 Ų4741 Ų4133%0.32925%0.252SS..SBendtrans-158.2-176.2-175.872.20000111.1T112 E113 N114S110-T112 VanDerWaalsContact C-N 3.35Å; S110-T112 PolarHBondContact OG-N 2.89Å; S110-E113 PolarHBondContact N-O 3.28Å; S110-E113 CarbonylContact O-C 3.38Å; S110-E113 PolarHBondContact OG-N 3.4Å; S110-E113 VanDerWaalsContact OG-N 3.13Å; S110-N114 WeakPolarHBondContact O-CA 3.08Å; S110-N114 PolarHBondContact O-N 3.15Å
111L93.6Very high97.1Very high99 Ų9937.9 Ų37.952%0.51822%0.224SC..SBendtrans-60.2-43.4174.2-179.864.1000112.3T93 N94T93-L111 HydrophobicContact CG2-CD1 4.34Å; N94-L111 HydrophobicContact CB-CD1 3.73Å
112T91.5Very high97.2Very high72 Ų7239.9 Ų39.944%0.44223%0.229SC..SBendtrans-75.9-47.1179.8-52.90000110.4F66 S110 N114F66-T112 HydrophobicContact CB-CG2 4.37Å; F66-T112 HydrophobicContact CD1-CG2 4.16Å; F66-T112 VanDerWaalsContact CE1-O 3.27Å; F66-T112 WeakPolarHBondContact CE1-O 3.38Å; F66-T112 HydrophobicContact CG-CG2 4.47Å; S110-T112 VanDerWaalsContact C-N 3.35Å; S110-T112 PolarHBondContact OG-N 2.89Å; T112-N114 VanDerWaalsContact C-N 3.26Å; T112-N114 PolarHBondContact O-N 2.87Å; T112-N114 VanDerWaalsContact O-N 3.14Å
113E96.8Very high97.1Very high79 Ų7946.2 Ų46.237%0.36926%0.258SS..SBendtrans-91.656.2-179.1-59.7-168.1-136.800111.1N13 F66 D109 S110 G115N13-E113 HydrophobicContact CB-CB 4.33Å; N13-E113 WeakPolarHBondContact CB-OE2 3.41Å; N13-E113 PolarHBondContact ND2-O 3.15Å; F66-E113 HydrophobicContact CD1-CG 4.47Å; F66-E113 HydrophobicContact CD2-CG 3.88Å; F66-E113 HydrophobicContact CE1-CB 4.42Å; F66-E113 HydrophobicContact CE1-CG 4.2Å; F66-E113 HydrophobicContact CE2-CB 4.22Å; F66-E113 HydrophobicContact CE2-CG 3.62Å; F66-E113 HydrophobicContact CG-CG 4.32Å; F66-E113 HydrophobicContact CZ-CB 3.97Å; F66-E113 HydrophobicContact CZ-CG 3.8Å; D109-E113 HydrophobicContact CB-CB 4.06Å; D109-E113 PolarHBondContact N-O 3.45Å; S110-E113 PolarHBondContact N-O 3.28Å; S110-E113 CarbonylContact O-C 3.38Å; S110-E113 PolarHBondContact OG-N 3.4Å; S110-E113 VanDerWaalsContact OG-N 3.13Å; E113-G115 PolarHBondContact O-N 3.05Å
114N97.2Very high97.1Very high5 Ų546.5 Ų46.53%0.02726%0.26CS..  trans-83.815.4-17368.7-7.1000114.7K11 T93 R104 A108 S110 T112 T116K11-N114 VanDerWaalsContact CE-OD1 3.31Å; K11-N114 WeakPolarHBondContact CE-OD1 3.32Å; K11-N114 PolarHBondContact NZ-OD1 3.01Å; T93-N114 PolarHBondContact O-ND2 2.88Å; R104-N114 HydrophobicContact CG-CB 4.49Å; R104-N114 WeakPolarHBondContact CG-O 3.4Å; A108-N114 HydrophobicContact CB-CB 4.32Å; S110-N114 WeakPolarHBondContact O-CA 3.08Å; S110-N114 PolarHBondContact O-N 3.15Å; T112-N114 VanDerWaalsContact C-N 3.26Å; T112-N114 PolarHBondContact O-N 2.87Å; T112-N114 VanDerWaalsContact O-N 3.14Å; N114-T116 PolarHBondContact O-N 3.36Å; N114-T116 PolarHBondContact OD1-O 2.93Å
115G97.4Very high97.1Very high0 Ų045.4 Ų45.40%026%0.256CS..SBendtrans75.4-36.517200000115.7K11 N13 A14 E113K11-G115 WeakPolarHBondContact CB-O 3.41Å; K11-G115 PolarHBondContact N-O 3.2Å; N13-G115 WeakPolarHBondContact OD1-CA 3.38Å; N13-G115 PolarHBondContact OD1-N 3.48Å; A14-G115 WeakPolarHBondContact CB-O 3.37Å; E113-G115 PolarHBondContact O-N 3.05Å
116T98.3Very high97.1Very high0 Ų046.3 Ų46.30%026%0.263CS..EExtended strand (participates in β ladder)trans-145148.4-172.354.60000114.2I9 I23 L90 L103 R104 N114I9-T116 CarbonylContact O-C 3.49Å; I9-T116 WeakPolarHBondContact O-CA 3.28Å; I23-T116 HydrophobicContact CD1-CG2 4.18Å; I23-T116 HydrophobicContact CG2-CG2 4.32Å; L90-T116 HydrophobicContact CD2-CG2 4.25Å; L90-T116 WeakPolarHBondContact CD2-OG1 3.15Å; L103-T116 HydrophobicContact CD1-CG2 4.45Å; R104-T116 PolarHBondContact NH2-O 3.14Å; N114-T116 PolarHBondContact O-N 3.36Å; N114-T116 PolarHBondContact OD1-O 2.93Å
117H98.4Very high97.1Very high27 Ų2748 Ų4813%0.12527%0.265CS..EExtended strand (participates in β ladder)trans-112.4148.1168.5178.893.1000109.9F7 S8 I9 F50 Y51 E128F7-H117 AromaticContact CD1-CD2 3.93Å; S8-H117 WeakPolarHBondContact CA-O 3.15Å; I9-H117 HydrophobicContact CB-CB 3.73Å; I9-H117 HydrophobicContact CD1-CB 3.97Å; I9-H117 HydrophobicContact CG1-CB 3.81Å; I9-H117 PolarHBondContact N-O 3.4Å; I9-H117 VanDerWaalsContact N-O 3.13Å; I9-H117 PolarHBondContact O-N 3.48Å; F50-H117 AromaticContact CE1-CE1 3.98Å; F50-H117 AromaticContact CZ-NE2 3.74Å; Y51-H117 PolarHBondContact OH-ND1 3.18Å; H117-E128 IonicContact CD2-OE2 3.65Å; H117-E128 IonicContact CE1-OE1 2.81Å; H117-E128 PolarHBondContact CE1-OE1 2.87Å; H117-E128 VanDerWaalsContact NE2-CD 3.32Å; H117-E128 IonicContact NE2-OE1 3.87Å; H117-E128 PolarHBondContact NE2-OE1 3.13Å; H117-E128 IonicContact NE2-OE2 2.83Å; H117-E128 PolarHBondContact NE2-OE2 3.42Å; H117-E128 VanDerWaalsContact NE2-OE2 3.17Å
118G98.2Very high97.1Very high13 Ų1346.7 Ų46.713%0.13426%0.26CS..EExtended strand (participates in β ladder)trans-150.2143.8167.700000110.2F7 H86F7-G118 WeakPolarHBondContact O-CA 3.19Å; H86-G118 VanDerWaalsContact CE1-CA 3.46Å; H86-G118 WeakPolarHBondContact CE1-CA 3.32Å
119S98.2Very high97.1Very high0 Ų046.7 Ų46.70%026%0.257CS..  trans-56.7145.5179-39.90000111.7T6 F7 A125 E128T6-S119 PolarHBondContact OG1-OG 3.14Å; F7-S119 WeakPolarHBondContact CB-OG 3.44Å; F7-S119 PolarHBondContact N-OG 2.69Å; F7-S119 VanDerWaalsContact N-OG 3.09Å; F7-S119 PolarHBondContact O-N 3.31Å; S119-A125 VanDerWaalsContact OG-CA 3.32Å; S119-A125 WeakPolarHBondContact OG-CA 3.48Å; S119-E128 WeakPolarHBondContact CA-OE2 3.27Å; S119-E128 VanDerWaalsContact CB-OE2 3.27Å; S119-E128 WeakPolarHBondContact CB-OE2 3.45Å; S119-E128 PolarHBondContact OG-OE2 2.79Å
120D96.7Very high97.2Very high91 Ų9146 Ų4649%0.48726%0.263SS..SBendtrans-90.1-18.4-176.469.6-4.4000114.4R87 S124R87-D120 PolarHBondContact NH1-O 3.16Å; D120-S124 PolarHBondContact N-OG 3.17Å; D120-S124 WeakPolarHBondContact OD1-CB 3.48Å; D120-S124 PolarHBondContact OD1-OG 2.78Å
121S97.5Very high97.3Very high37 Ų3748.3 Ų48.326%0.25927%0.265SS..SBendtrans-153.5167.7-17356.30000110.6E123 S124 A125S121-E123 VanDerWaalsContact C-N 3.29Å; S121-S124 PolarHBondContact N-OG 2.84Å; S121-S124 VanDerWaalsContact N-OG 3.13Å; S121-S124 PolarHBondContact O-OG 3.2Å; S121-S124 WeakPolarHBondContact OG-CB 3.28Å; S121-S124 PolarHBondContact OG-N 3.43Å; S121-S124 VanDerWaalsContact OG-N 3.15Å; S121-S124 PolarHBondContact OG-OG 3.02Å; S121-A125 VanDerWaalsContact O-CB 3.28Å; S121-A125 WeakPolarHBondContact O-CB 3.47Å; S121-A125 PolarHBondContact O-N 3.35Å
122V97.8Very high97.6Very high75 Ų7544.4 Ų44.446%0.45524%0.244SC..Hα-helixtrans-67.4-36.2176.7175.70000110.4V83 A125 A126V83-V122 HydrophobicContact CG2-CG2 4.13Å; V122-A125 PolarHBondContact O-N 3.14Å; V122-A126 PolarHBondContact O-N 2.64Å
123E97.7Very high97.9Very high147 Ų14741.5 Ų41.569%0.68723%0.225SC*.Hα-helixtrans-67.4-46.4178.4-62.473.3-16200111.4S121 A126 R127S121-E123 VanDerWaalsContact C-N 3.29Å; E123-A126 PolarHBondContact O-N 2.62Å; E123-R127 PolarHBondContact O-N 2.78Å
124S97.6Very high97.9Very high7 Ų739.8 Ų39.85%0.04923%0.228CC..Hα-helixtrans-66.5-39.7174.768.20000111.3D120 S121 A126 R127 E128D120-S124 PolarHBondContact N-OG 3.17Å; D120-S124 WeakPolarHBondContact OD1-CB 3.48Å; D120-S124 PolarHBondContact OD1-OG 2.78Å; S121-S124 PolarHBondContact N-OG 2.84Å; S121-S124 VanDerWaalsContact N-OG 3.13Å; S121-S124 PolarHBondContact O-OG 3.2Å; S121-S124 WeakPolarHBondContact OG-CB 3.28Å; S121-S124 PolarHBondContact OG-N 3.43Å; S121-S124 VanDerWaalsContact OG-N 3.15Å; S121-S124 PolarHBondContact OG-OG 3.02Å; S124-A126 VanDerWaalsContact C-N 3.33Å; S124-A126 PolarHBondContact O-N 3.1Å; S124-R127 PolarHBondContact O-N 3.15Å; S124-R127 VanDerWaalsContact O-N 3.17Å; S124-E128 WeakPolarHBondContact O-CB 3.46Å; S124-E128 WeakPolarHBondContact O-CG 3.48Å; S124-E128 PolarHBondContact O-N 3.48Å
125A98.2Very high97.6Very high1 Ų149.4 Ų49.41%0.00827%0.273CS..Hα-helixtrans-55.8-46.3174.900000112.4R5 V83 S119 S121 V122 R127 E128 I129R5-A125 WeakPolarHBondContact O-CB 3.33Å; V83-A125 HydrophobicContact CG2-CB 4.12Å; S119-A125 VanDerWaalsContact OG-CA 3.32Å; S119-A125 WeakPolarHBondContact OG-CA 3.48Å; S121-A125 VanDerWaalsContact O-CB 3.28Å; S121-A125 WeakPolarHBondContact O-CB 3.47Å; S121-A125 PolarHBondContact O-N 3.35Å; V122-A125 PolarHBondContact O-N 3.14Å; A125-R127 PolarHBondContact O-N 3.32Å; A125-E128 PolarHBondContact O-N 2.9Å; A125-I129 WeakPolarHBondContact O-CB 3.32Å; A125-I129 WeakPolarHBondContact O-CD1 3.43Å; A125-I129 WeakPolarHBondContact O-CG1 3.4Å; A125-I129 PolarHBondContact O-N 3.46Å
126A97.7Very high97.5Very high60 Ų6052.6 Ų52.650%0.49631%0.306SS..Hα-helixtrans-60.5-45.6177.300000112.1V122 E123 S124 A130V122-A126 PolarHBondContact O-N 2.64Å; E123-A126 PolarHBondContact O-N 2.62Å; S124-A126 VanDerWaalsContact C-N 3.33Å; S124-A126 PolarHBondContact O-N 3.1Å; A126-A130 VanDerWaalsContact O-CB 3.32Å; A126-A130 WeakPolarHBondContact O-CB 3.47Å; A126-A130 PolarHBondContact O-N 3.15Å
127R97.8Very high97.5Very high106 Ų10656.5 Ų56.540%0.432%0.324SS..Hα-helixtrans-61.9-47.8176.7175.2176.160.184.5-8.3112E53 E123 S124 A125 A130 Y131E53-R127 IonicContact OE1-CZ 3.81Å; E53-R127 IonicContact OE1-NH1 3.83Å; E53-R127 IonicContact OE1-NH2 2.87Å; E53-R127 PolarHBondContact OE1-NH2 2.83Å; E53-R127 IonicContact OE2-NH2 3.31Å; E53-R127 PolarHBondContact OE2-NH2 3.07Å; E123-R127 PolarHBondContact O-N 2.78Å; S124-R127 PolarHBondContact O-N 3.15Å; S124-R127 VanDerWaalsContact O-N 3.17Å; A125-R127 PolarHBondContact O-N 3.32Å; R127-A130 PolarHBondContact O-N 3.05Å; R127-Y131 PolarHBondContact O-N 3.38Å
128E98.5Very high97.5Very high6 Ų656.5 Ų56.53%0.02833%0.326CS..Hα-helixtrans-66.9-41.5-177.4-69.8-178166.900111.9F7 F50 H117 S119 S124 A125 Y131 F132F7-E128 HydrophobicContact CB-CB 3.71Å; F7-E128 HydrophobicContact CD1-CB 3.74Å; F7-E128 HydrophobicContact CD1-CG 4.39Å; F7-E128 WeakPolarHBondContact CD1-OE2 3.29Å; F7-E128 HydrophobicContact CE1-CB 4.5Å; F7-E128 HydrophobicContact CG-CB 3.79Å; F50-E128 HydrophobicContact CE2-CB 3.77Å; F50-E128 HydrophobicContact CE2-CG 3.54Å; F50-E128 HydrophobicContact CZ-CB 4.23Å; F50-E128 HydrophobicContact CZ-CG 3.75Å; H117-E128 IonicContact CD2-OE2 3.65Å; H117-E128 IonicContact CE1-OE1 2.81Å; H117-E128 PolarHBondContact CE1-OE1 2.87Å; H117-E128 VanDerWaalsContact NE2-CD 3.32Å; H117-E128 IonicContact NE2-OE1 3.87Å; H117-E128 PolarHBondContact NE2-OE1 3.13Å; H117-E128 IonicContact NE2-OE2 2.83Å; H117-E128 PolarHBondContact NE2-OE2 3.42Å; H117-E128 VanDerWaalsContact NE2-OE2 3.17Å; S119-E128 WeakPolarHBondContact CA-OE2 3.27Å; S119-E128 VanDerWaalsContact CB-OE2 3.27Å; S119-E128 WeakPolarHBondContact CB-OE2 3.45Å; S119-E128 PolarHBondContact OG-OE2 2.79Å; S124-E128 WeakPolarHBondContact O-CB 3.46Å; S124-E128 WeakPolarHBondContact O-CG 3.48Å; S124-E128 PolarHBondContact O-N 3.48Å; A125-E128 PolarHBondContact O-N 2.9Å; E128-Y131 WeakPolarHBondContact O-CB 3.22Å; E128-Y131 PolarHBondContact O-N 3.27Å; E128-F132 PolarHBondContact O-N 3.34Å
129I98.5Very high97.5Very high22 Ų2259.6 Ų59.611%0.11335%0.345CS..Hα-helixtrans-61-49.8173.7-68.4166.1000109.8R5 F7 V76 A125 Y131 F132 F133 V138R5-I129 HydrophobicContact CB-CD1 3.65Å; F7-I129 HydrophobicContact CB-CG1 3.98Å; F7-I129 HydrophobicContact CD2-CG1 4.48Å; V76-I129 HydrophobicContact CG1-CD1 3.84Å; V76-I129 HydrophobicContact CG1-CG1 4.23Å; V76-I129 HydrophobicContact CG2-CG1 4.16Å; V76-I129 HydrophobicContact CG2-CG2 3.99Å; A125-I129 WeakPolarHBondContact O-CB 3.32Å; A125-I129 WeakPolarHBondContact O-CD1 3.43Å; A125-I129 WeakPolarHBondContact O-CG1 3.4Å; A125-I129 PolarHBondContact O-N 3.46Å; I129-Y131 PolarHBondContact O-N 3.4Å; I129-F132 PolarHBondContact O-N 3.2Å; I129-F132 VanDerWaalsContact O-N 3.15Å; I129-F133 HydrophobicContact CG2-CB 4.35Å; I129-F133 HydrophobicContact CG2-CD2 4.48Å; I129-F133 WeakPolarHBondContact O-CB 3.25Å; I129-F133 PolarHBondContact O-N 3.4Å; I129-V138 HydrophobicContact CG2-CG2 4.38Å
130A97.9Very high97.4Very high73 Ų7363.6 Ų63.660%0.60337%0.371SS*.Hα-helixtrans-64.2-26.6-179.400000113.1A126 R127 F132A126-A130 VanDerWaalsContact O-CB 3.32Å; A126-A130 WeakPolarHBondContact O-CB 3.47Å; A126-A130 PolarHBondContact O-N 3.15Å; R127-A130 PolarHBondContact O-N 3.05Å; A130-F132 VanDerWaalsContact C-N 3.35Å
131Y98.3Very high97.4Very high95 Ų9565 Ų6537%0.37337%0.37SS..Hα-helixtrans-65.8-38175.1-169.5-88.7000112.1Q46 G49 F50 R127 E128 I129Q46-Y131 WeakPolarHBondContact CA-OH 3.48Å; Q46-Y131 PolarHBondContact O-OH 3.02Å; G49-Y131 WeakPolarHBondContact CA-OH 3.34Å; F50-Y131 HydrophobicContact CB-CD1 4.16Å; F50-Y131 HydrophobicContact CB-CE1 3.8Å; F50-Y131 AromaticContact CD2-CD1 3.83Å; F50-Y131 HydrophobicContact CD2-CD1 3.83Å; F50-Y131 HydrophobicContact CD2-CE1 4.35Å; F50-Y131 HydrophobicContact CD2-CG 4.1Å; F50-Y131 HydrophobicContact CG-CD1 4.45Å; F50-Y131 PolarHBondContact N-OH 3.15Å; R127-Y131 PolarHBondContact O-N 3.38Å; E128-Y131 WeakPolarHBondContact O-CB 3.22Å; E128-Y131 PolarHBondContact O-N 3.27Å; I129-Y131 PolarHBondContact O-N 3.4Å
132F98.6Very high97.4Very high16 Ų1669.6 Ų69.67%0.0740%0.396CS..Hα-helixtrans-106.1-25.5-173.1-78.7-69.6000115.1F7 K38 L40 L42 F50 V74 E128 I129 A130F7-F132 AromaticContact CE1-CD2 3.83Å; F7-F132 HydrophobicContact CE1-CD2 3.83Å; F7-F132 AromaticContact CE1-CE2 3.87Å; F7-F132 HydrophobicContact CE1-CE2 3.87Å; F7-F132 HydrophobicContact CE2-CB 3.88Å; F7-F132 AromaticContact CE2-CD2 3.46Å; F7-F132 HydrophobicContact CE2-CD2 3.46Å; F7-F132 VanDerWaalsContact CE2-CD2 3.46Å; F7-F132 HydrophobicContact CE2-CE2 4.26Å; F7-F132 AromaticContact CE2-CG 3.94Å; F7-F132 HydrophobicContact CE2-CG 3.94Å; F7-F132 HydrophobicContact CZ-CB 4.31Å; F7-F132 AromaticContact CZ-CD2 3.05Å; F7-F132 HydrophobicContact CZ-CD2 3.05Å; F7-F132 AromaticContact CZ-CE2 3.41Å; F7-F132 HydrophobicContact CZ-CE2 3.41Å; F7-F132 VanDerWaalsContact CZ-CE2 3.41Å; F7-F132 AromaticContact CZ-CG 3.85Å; F7-F132 HydrophobicContact CZ-CG 3.85Å; F7-F132 HydrophobicContact CZ-CZ 4.47Å; K38-F132 WeakPolarHBondContact CE-O 3.49Å; K38-F132 PolarHBondContact NZ-O 3.45Å; L40-F132 HydrophobicContact CD1-CD1 3.85Å; L40-F132 HydrophobicContact CD1-CE1 4.1Å; L42-F132 HydrophobicContact CD2-CE1 3.68Å; L42-F132 HydrophobicContact CD2-CZ 4.04Å; F50-F132 HydrophobicContact CB-CE2 4.37Å; F50-F132 HydrophobicContact CB-CZ 4.37Å; F50-F132 HydrophobicContact CD1-CE2 4.38Å; F50-F132 HydrophobicContact CD2-CD2 4.01Å; F50-F132 AromaticContact CD2-CE2 3.28Å; F50-F132 HydrophobicContact CD2-CE2 3.28Å; F50-F132 HydrophobicContact CD2-CZ 4.08Å; F50-F132 AromaticContact CE2-CD2 3.99Å; F50-F132 HydrophobicContact CE2-CD2 3.99Å; F50-F132 AromaticContact CE2-CE2 3.49Å; F50-F132 HydrophobicContact CE2-CE2 3.49Å; F50-F132 VanDerWaalsContact CE2-CE2 3.49Å; F50-F132 AromaticContact CG-CE2 3.76Å; F50-F132 HydrophobicContact CG-CE2 3.76Å; F50-F132 HydrophobicContact CG-CZ 4.16Å; F50-F132 HydrophobicContact CZ-CE2 4.17Å; V74-F132 HydrophobicContact CG1-CD1 4.33Å; V74-F132 HydrophobicContact CG1-CE1 4.39Å; V74-F132 HydrophobicContact CG1-CG 4.41Å; V74-F132 HydrophobicContact CG1-CZ 4.47Å; V74-F132 HydrophobicContact CG2-CB 4.48Å; E128-F132 PolarHBondContact O-N 3.34Å; I129-F132 PolarHBondContact O-N 3.2Å; I129-F132 VanDerWaalsContact O-N 3.15Å; A130-F132 VanDerWaalsContact C-N 3.35Å
133F98.5Very high97Very high12 Ų1279.9 Ų79.95%0.05343%0.427CS..  trans-119.6114.7-174.2-65.7-89.7000109.9F7 K38 V74 V76 I129 E137 V138F7-F133 HydrophobicContact CD2-CE2 4.12Å; F7-F133 HydrophobicContact CE2-CD2 4.4Å; F7-F133 AromaticContact CE2-CE2 3.84Å; F7-F133 HydrophobicContact CE2-CE2 3.84Å; K38-F133 HydrophobicContact CG-CE1 4.3Å; V74-F133 HydrophobicContact CB-CE2 4.46Å; V74-F133 HydrophobicContact CB-CZ 4.5Å; V74-F133 HydrophobicContact CG2-CE2 4.13Å; V74-F133 HydrophobicContact CG2-CZ 3.91Å; V76-F133 HydrophobicContact CG2-CD1 4.26Å; V76-F133 HydrophobicContact CG2-CD2 3.45Å; V76-F133 VanDerWaalsContact CG2-CD2 3.45Å; V76-F133 HydrophobicContact CG2-CE1 4.26Å; V76-F133 HydrophobicContact CG2-CE2 3.42Å; V76-F133 VanDerWaalsContact CG2-CE2 3.42Å; V76-F133 HydrophobicContact CG2-CG 3.89Å; V76-F133 HydrophobicContact CG2-CZ 3.85Å; I129-F133 HydrophobicContact CG2-CB 4.35Å; I129-F133 HydrophobicContact CG2-CD2 4.48Å; I129-F133 WeakPolarHBondContact O-CB 3.25Å; I129-F133 PolarHBondContact O-N 3.4Å; F133-E137 WeakPolarHBondContact CA-OE2 3.3Å; F133-E137 HydrophobicContact CB-CB 4.29Å; F133-E137 HydrophobicContact CD1-CB 3.96Å; F133-V138 HydrophobicContact CB-CG2 4.03Å; F133-V138 HydrophobicContact CG-CG2 4.4Å
134G97.3Very high97Very high42 Ų4276.6 Ų76.643%0.43341%0.414SS..  trans-75.3-176.7172.200000112.9G136 E137G134-G136 PolarHBondContact O-N 3.23Å; G134-E137 PolarHBondContact N-OE2 2.92Å; G134-E137 PolarHBondContact O-N 2.75Å
135E90.9Very high97Very high207 Ų20780.2 Ų80.297%0.96743%0.433SS*.THydrogen-bonded Turntrans-60.1132176.9-167.9175.5-17400111E137E135-E137 VanDerWaalsContact C-N 3.26Å; E135-E137 PolarHBondContact O-N 3.11Å
136G95.3Very high96.9Very high67 Ų6784.6 Ų84.669%0.69146%0.457SS*.THydrogen-bonded Turntrans79-7.6179.700000115.9G134 V138G134-G136 PolarHBondContact O-N 3.23Å; G136-V138 VanDerWaalsContact C-N 3.33Å
137E98.2Very high96.9Very high82 Ų8286.1 Ų86.138%0.38346%0.455SS..  trans-79.8-16.8177.1-64.6-165.992.300113.3K38 F133 G134 E135K38-E137 VanDerWaalsContact NZ-CD 3.25Å; K38-E137 IonicContact NZ-OE1 3.38Å; K38-E137 PolarHBondContact NZ-OE1 2.74Å; K38-E137 IonicContact NZ-OE2 2.88Å; K38-E137 PolarHBondContact NZ-OE2 2.88Å; F133-E137 WeakPolarHBondContact CA-OE2 3.3Å; F133-E137 HydrophobicContact CB-CB 4.29Å; F133-E137 HydrophobicContact CD1-CB 3.96Å; G134-E137 PolarHBondContact N-OE2 2.92Å; G134-E137 PolarHBondContact O-N 2.75Å; E135-E137 VanDerWaalsContact C-N 3.26Å; E135-E137 PolarHBondContact O-N 3.11Å
138V98.2Very high96.8Very high27 Ų2784.8 Ų84.816%0.16446%0.458CS..SBendtrans-93.6119.7169.6-175.30000108.7V35 V76 I129 F133 G136 P140V35-V138 HydrophobicContact CB-CG1 4.22Å; V35-V138 HydrophobicContact CG2-CG1 3.87Å; V35-V138 CarbonylContact O-C 3.59Å; V35-V138 WeakPolarHBondContact O-CA 3.28Å; V76-V138 HydrophobicContact CG2-CG2 4.07Å; I129-V138 HydrophobicContact CG2-CG2 4.38Å; F133-V138 HydrophobicContact CB-CG2 4.03Å; F133-V138 HydrophobicContact CG-CG2 4.4Å; G136-V138 VanDerWaalsContact C-N 3.33Å; V138-P140 WeakPolarHBondContact O-CD 3.31Å
139C98.2Very high96.7Very high78 Ų7890.1 Ų90.153%0.52749%0.487SS..  trans-106.299.7-172.2-61.30000111.1V35V35-C139 PolarHBondContact O-N 3.38Å
140P96.2Very high96.5Very high85 Ų8594.9 Ų94.955%0.55251%0.513SS*.  trans-59145.2173.3-20.432.8000111.3V138 T142V138-P140 WeakPolarHBondContact O-CD 3.31Å; P140-T142 PolarHBondContact O-N 2.62Å
141R96.4Very high96.4Very high120 Ų12096.6 Ų96.645%0.45351%0.507SS..  trans-71.8129176.3-58.6-59.4-175.686.5-3.7110K33 I34K33-R141 HydrophobicContact CD-CG 4.1Å; I34-R141 PolarHBondContact O-NE 2.86Å; I34-R141 PolarHBondContact O-NH2 3.02Å
142T96.8Very high96.3Very high134 Ų13496.8 Ų96.882%0.82252%0.518SS*.  trans-111.23179.455.10000113.4P140P140-T142 PolarHBondContact O-N 2.62Å
143R91Very high96.1Very high291 Ų291104.1 Ų104.1100%1.09856%0.558SS**  trans-159.90174.656.9-177.7141.488.32.1110.1

Retrieved 143 of 143 residues in 181.2 ms (Link to these results)

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