A0AA82N7U0_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N7U0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 158 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
1M57.5Low77.9Confident200 Ų20080.8 Ų80.899%0.98544%0.443SS*.  0134.80-73.1-174.5-175.100108.9I6M1-I6 HydrophobicContact CB-CG1 4.47Å
2G79.7Confident78.2Confident39 Ų3980.8 Ų80.840%0.40244%0.442SS..  trans-77.1154.8179.400000112.4F4 Q5 I6G2-F4 PolarHBondContact O-N 3.24Å; G2-F4 VanDerWaalsContact O-N 3.12Å; G2-Q5 WeakPolarHBondContact O-CA 3.34Å; G2-Q5 WeakPolarHBondContact O-CB 3.5Å; G2-Q5 PolarHBondContact O-N 3.48Å; G2-I6 PolarHBondContact O-N 3.3Å
3I81.4Confident78.8Confident17 Ų1782.4 Ų82.49%0.08746%0.458CS..Hα-helixtrans-54.2-36.7-177.6-171.758.6000112.9Q5 I6 L7 I104 Q107 F108 Y111I3-Q5 VanDerWaalsContact C-N 3.32Å; I3-Q5 PolarHBondContact O-N 3.25Å; I3-I6 PolarHBondContact O-N 3.25Å; I3-L7 HydrophobicContact CD1-CG 4.39Å; I3-L7 HydrophobicContact CG1-CD1 4.08Å; I3-L7 HydrophobicContact CG1-CG 4.29Å; I3-L7 WeakPolarHBondContact O-CB 3.47Å; I3-L7 VanDerWaalsContact O-CG 3.29Å; I3-L7 WeakPolarHBondContact O-CG 3.42Å; I3-L7 PolarHBondContact O-N 3.46Å; I3-I104 HydrophobicContact CD1-CG2 4.03Å; I3-Q107 HydrophobicContact CD1-CB 3.86Å; I3-F108 HydrophobicContact CD1-CB 4.34Å; I3-F108 HydrophobicContact CG1-CB 4.08Å; I3-F108 HydrophobicContact CG1-CD2 4.24Å; I3-Y111 HydrophobicContact CG2-CD1 3.96Å; I3-Y111 HydrophobicContact CG2-CD2 4.15Å; I3-Y111 HydrophobicContact CG2-CG 3.73Å
4F79.3Confident79.3Confident47 Ų4785.8 Ų85.821%0.20647%0.473CS..Hα-helixtrans-68.2-28.7176.4-82.3-88.6000113.5G2 K8 F16 N20 L23 Y111G2-F4 PolarHBondContact O-N 3.24Å; G2-F4 VanDerWaalsContact O-N 3.12Å; F4-K8 WeakPolarHBondContact O-CB 3.38Å; F4-K8 PolarHBondContact O-N 2.94Å; F4-F16 HydrophobicContact CB-CE2 4.43Å; F4-F16 AromaticContact CD1-CE2 3.5Å; F4-F16 HydrophobicContact CD1-CE2 3.5Å; F4-F16 AromaticContact CD1-CZ 3.6Å; F4-F16 HydrophobicContact CD1-CZ 3.6Å; F4-F16 HydrophobicContact CE1-CE2 4.2Å; F4-F16 HydrophobicContact CE1-CZ 4.24Å; F4-F16 HydrophobicContact CG-CE2 4.43Å; F4-N20 HydrophobicContact CE1-CB 4.29Å; F4-L23 HydrophobicContact CE2-CD2 3.84Å; F4-L23 HydrophobicContact CZ-CD2 3.56Å; F4-Y111 HydrophobicContact CD2-CE1 4.06Å; F4-Y111 AromaticContact CE2-CD1 3.88Å; F4-Y111 HydrophobicContact CE2-CD1 3.88Å; F4-Y111 AromaticContact CE2-CE1 3.45Å; F4-Y111 HydrophobicContact CE2-CE1 3.45Å; F4-Y111 VanDerWaalsContact CE2-CE1 3.45Å
5Q82.2Confident79.8Confident117 Ų11781.8 Ų81.855%0.54746%0.456SS..Hα-helixtrans-69-42.9172.2-66.7172.8-28.600110.2G2 I3 K8 S9G2-Q5 WeakPolarHBondContact O-CA 3.34Å; G2-Q5 WeakPolarHBondContact O-CB 3.5Å; G2-Q5 PolarHBondContact O-N 3.48Å; I3-Q5 VanDerWaalsContact C-N 3.32Å; I3-Q5 PolarHBondContact O-N 3.25Å; Q5-K8 PolarHBondContact O-N 3.37Å; Q5-S9 WeakPolarHBondContact O-CB 3.49Å; Q5-S9 PolarHBondContact O-N 3.45Å; Q5-S9 PolarHBondContact O-OG 2.63Å
6I81Confident80.4Confident45 Ų4580.1 Ų80.123%0.23144%0.442CS..Hα-helixtrans-64.1-42.1176.8-58.6171.1000111.1M1 G2 I3 S9 I104M1-I6 HydrophobicContact CB-CG1 4.47Å; G2-I6 PolarHBondContact O-N 3.3Å; I3-I6 PolarHBondContact O-N 3.25Å; I6-S9 PolarHBondContact O-OG 3.3Å; I6-I104 HydrophobicContact CG2-CD1 3.82Å
7L82.8Confident81.1Confident6 Ų683 Ų833%0.03145%0.449CS..Hα-helixtrans-69.6-39.2177.5-69175.5000111.7I3 R10 F16 L19 L100 I104 F108I3-L7 HydrophobicContact CD1-CG 4.39Å; I3-L7 HydrophobicContact CG1-CD1 4.08Å; I3-L7 HydrophobicContact CG1-CG 4.29Å; I3-L7 WeakPolarHBondContact O-CB 3.47Å; I3-L7 VanDerWaalsContact O-CG 3.29Å; I3-L7 WeakPolarHBondContact O-CG 3.42Å; I3-L7 PolarHBondContact O-N 3.46Å; L7-R10 PolarHBondContact O-N 3.19Å; L7-F16 HydrophobicContact CB-CD2 3.97Å; L7-F16 HydrophobicContact CB-CE2 4.28Å; L7-L19 HydrophobicContact CD1-CD1 3.86Å; L7-L19 HydrophobicContact CD2-CD1 3.69Å; L7-L19 HydrophobicContact CG-CD1 4.27Å; L7-L100 HydrophobicContact CD2-CD1 4.44Å; L7-L100 HydrophobicContact CD2-CD2 3.94Å; L7-I104 HydrophobicContact CD2-CG2 3.78Å; L7-F108 HydrophobicContact CD1-CD2 3.62Å; L7-F108 HydrophobicContact CD1-CE2 3.99Å; L7-F108 HydrophobicContact CD1-CG 4.49Å
8K82.5Confident81.7Confident157 Ų15780.2 Ų80.268%0.68344%0.436SS*.Hα-helixtrans-67.4-35.5177.4-171.2177.4-177.8-175.70111.9F4 Q5 R10 G11 F16F4-K8 WeakPolarHBondContact O-CB 3.38Å; F4-K8 PolarHBondContact O-N 2.94Å; Q5-K8 PolarHBondContact O-N 3.37Å; K8-R10 PolarHBondContact O-N 2.86Å; K8-G11 PolarHBondContact O-N 2.9Å; K8-F16 HydrophobicContact CB-CD2 4.31Å; K8-F16 HydrophobicContact CB-CE2 3.99Å
9S80.8Confident82.3Confident95 Ų9576.2 Ų76.266%0.66441%0.414SS*.Hα-helixtrans-70.1-13.817965.80000113.9Q5 I6 G11Q5-S9 WeakPolarHBondContact O-CB 3.49Å; Q5-S9 PolarHBondContact O-N 3.45Å; Q5-S9 PolarHBondContact O-OG 2.63Å; I6-S9 PolarHBondContact O-OG 3.3Å; S9-G11 PolarHBondContact O-N 3.09Å
10R77.2Confident82.9Confident104 Ų10474.8 Ų74.839%0.39241%0.406SS..THydrogen-bonded Turntrans-71.2-11.4174.5-73.7-177.8169-156.8-4.7114.1L7 K8 D12 L100 I104L7-R10 PolarHBondContact O-N 3.19Å; K8-R10 PolarHBondContact O-N 2.86Å; R10-D12 VanDerWaalsContact C-N 3.33Å; R10-D12 PolarHBondContact O-N 3Å; R10-L100 VanDerWaalsContact NH1-CD2 3.28Å; R10-I104 VanDerWaalsContact NH2-CG1 3.35Å
11G72.8Confident83.5Confident62 Ų6273.6 Ų73.664%0.63940%0.398SS*.  trans77.88.5168.700000116.2K8 S9 P13K8-G11 PolarHBondContact O-N 2.9Å; S9-G11 PolarHBondContact O-N 3.09Å; G11-P13 WeakPolarHBondContact O-CD 3.38Å
12D81.2Confident85.3Confident81 Ų8164.9 Ų64.943%0.43335%0.354SS..  trans-106.899.8172.3-176.2-13.5000110.9R10 I14 A15 F16R10-D12 VanDerWaalsContact C-N 3.33Å; R10-D12 PolarHBondContact O-N 3Å; D12-I14 VanDerWaalsContact C-N 3.26Å; D12-I14 PolarHBondContact O-N 2.86Å; D12-I14 WeakPolarHBondContact OD1-CA 3.46Å; D12-I14 WeakPolarHBondContact OD1-CB 3.37Å; D12-I14 PolarHBondContact OD1-N 3.35Å; D12-A15 HydrophobicContact CB-CB 3.95Å; D12-A15 PolarHBondContact OD1-N 3.14Å; D12-A15 WeakPolarHBondContact OD2-CB 3.33Å; D12-F16 WeakPolarHBondContact O-CB 3.43Å; D12-F16 PolarHBondContact O-N 3.34Å
13P85.9Confident86.1Confident101 Ų10163.8 Ų63.866%0.65634%0.339SS*.Hα-helixtrans-62.7-30.3178.2-22.233.7000113.7G11 K17G11-P13 WeakPolarHBondContact O-CD 3.38Å; P13-K17 WeakPolarHBondContact O-CB 3.45Å; P13-K17 PolarHBondContact O-N 3.36Å
14I86.5Confident86.8Confident130 Ų13067.5 Ų67.567%0.66735%0.354SS*.Hα-helixtrans-72.1-51.7-178.4-60.1175.7000108.7D12 F16 K17 V18D12-I14 VanDerWaalsContact C-N 3.26Å; D12-I14 PolarHBondContact O-N 2.86Å; D12-I14 WeakPolarHBondContact OD1-CA 3.46Å; D12-I14 WeakPolarHBondContact OD1-CB 3.37Å; D12-I14 PolarHBondContact OD1-N 3.35Å; I14-F16 VanDerWaalsContact C-N 3.29Å; I14-F16 PolarHBondContact O-N 3Å; I14-K17 WeakPolarHBondContact O-CB 3.29Å; I14-K17 PolarHBondContact O-N 2.95Å; I14-K17 VanDerWaalsContact O-N 3.14Å; I14-V18 WeakPolarHBondContact O-CG2 3.38Å; I14-V18 PolarHBondContact O-N 3.24Å
15A86.2Confident87.7Confident26 Ų2666.8 Ų66.822%0.21535%0.351CS..Hα-helixtrans-58.2-43175.800000111.5D12 K17 V18 L19 T96D12-A15 HydrophobicContact CB-CB 3.95Å; D12-A15 PolarHBondContact OD1-N 3.14Å; D12-A15 WeakPolarHBondContact OD2-CB 3.33Å; A15-K17 VanDerWaalsContact C-N 3.35Å; A15-K17 PolarHBondContact O-N 3.41Å; A15-V18 PolarHBondContact O-N 3.03Å; A15-L19 VanDerWaalsContact O-CG 3.29Å; A15-L19 WeakPolarHBondContact O-CG 3.34Å; A15-L19 PolarHBondContact O-N 3.34Å; A15-T96 HydrophobicContact CB-CG2 4.25Å
16F89.3Confident88.4Confident54 Ų5462.2 Ų62.224%0.23733%0.331CS..Hα-helixtrans-59.3-43.4176.1-179-98.2000112.7F4 L7 K8 D12 I14 L19 N20F4-F16 HydrophobicContact CB-CE2 4.43Å; F4-F16 AromaticContact CD1-CE2 3.5Å; F4-F16 HydrophobicContact CD1-CE2 3.5Å; F4-F16 AromaticContact CD1-CZ 3.6Å; F4-F16 HydrophobicContact CD1-CZ 3.6Å; F4-F16 HydrophobicContact CE1-CE2 4.2Å; F4-F16 HydrophobicContact CE1-CZ 4.24Å; F4-F16 HydrophobicContact CG-CE2 4.43Å; L7-F16 HydrophobicContact CB-CD2 3.97Å; L7-F16 HydrophobicContact CB-CE2 4.28Å; K8-F16 HydrophobicContact CB-CD2 4.31Å; K8-F16 HydrophobicContact CB-CE2 3.99Å; D12-F16 WeakPolarHBondContact O-CB 3.43Å; D12-F16 PolarHBondContact O-N 3.34Å; I14-F16 VanDerWaalsContact C-N 3.29Å; I14-F16 PolarHBondContact O-N 3Å; F16-L19 PolarHBondContact O-N 3.29Å; F16-N20 WeakPolarHBondContact O-CB 3.41Å; F16-N20 PolarHBondContact O-N 3.14Å
17K91.9Very high89.3Confident130 Ų13060.1 Ų60.157%0.56532%0.32SS*.Hα-helixtrans-61.6-45.4176.2-175.8-177.5175.9-174.80111.2P13 I14 A15 N20 E21P13-K17 WeakPolarHBondContact O-CB 3.45Å; P13-K17 PolarHBondContact O-N 3.36Å; I14-K17 WeakPolarHBondContact O-CB 3.29Å; I14-K17 PolarHBondContact O-N 2.95Å; I14-K17 VanDerWaalsContact O-N 3.14Å; A15-K17 VanDerWaalsContact C-N 3.35Å; A15-K17 PolarHBondContact O-N 3.41Å; K17-N20 PolarHBondContact O-N 3.43Å; K17-E21 WeakPolarHBondContact CE-OE1 3.5Å; K17-E21 WeakPolarHBondContact O-CG 3.25Å; K17-E21 PolarHBondContact O-N 3.31Å
18V93.1Very high90Very high33 Ų3365.3 Ų65.320%0.234%0.339CS..Hα-helixtrans-63.1-42.2179.31750000111.6I14 A15 E21 F22 R93 T96I14-V18 WeakPolarHBondContact O-CG2 3.38Å; I14-V18 PolarHBondContact O-N 3.24Å; A15-V18 PolarHBondContact O-N 3.03Å; V18-E21 WeakPolarHBondContact O-CB 3.31Å; V18-E21 PolarHBondContact O-N 3.24Å; V18-F22 PolarHBondContact O-N 3.34Å; V18-R93 HydrophobicContact CG1-CB 3.9Å; V18-R93 HydrophobicContact CG1-CG 3.9Å; V18-T96 HydrophobicContact CB-CG2 4.17Å; V18-T96 HydrophobicContact CG1-CG2 3.98Å; V18-T96 WeakPolarHBondContact CG1-OG1 3.22Å
19L93.1Very high90.7Very high4 Ų458.4 Ų58.42%0.02131%0.31CS..Hα-helixtrans-63.9-41.1175.3-67.2169.9000112L7 A15 F16 E21 F22 L23 T96 V97 L100 F108L7-L19 HydrophobicContact CD1-CD1 3.86Å; L7-L19 HydrophobicContact CD2-CD1 3.69Å; L7-L19 HydrophobicContact CG-CD1 4.27Å; A15-L19 VanDerWaalsContact O-CG 3.29Å; A15-L19 WeakPolarHBondContact O-CG 3.34Å; A15-L19 PolarHBondContact O-N 3.34Å; F16-L19 PolarHBondContact O-N 3.29Å; L19-E21 VanDerWaalsContact C-N 3.31Å; L19-E21 PolarHBondContact O-N 2.96Å; L19-F22 WeakPolarHBondContact O-CB 3.32Å; L19-F22 PolarHBondContact O-N 2.94Å; L19-L23 PolarHBondContact O-N 3.37Å; L19-T96 HydrophobicContact CD2-CG2 4.13Å; L19-T96 HydrophobicContact CG-CG2 4.11Å; L19-V97 HydrophobicContact CD2-CG2 3.77Å; L19-L100 HydrophobicContact CD1-CD1 4.34Å; L19-L100 HydrophobicContact CD1-CD2 4.06Å; L19-L100 HydrophobicContact CD2-CD1 3.94Å; L19-L100 HydrophobicContact CD2-CG 4.49Å; L19-F108 HydrophobicContact CB-CE2 4.1Å; L19-F108 HydrophobicContact CB-CZ 3.96Å; L19-F108 HydrophobicContact CD2-CD1 4.42Å; L19-F108 HydrophobicContact CD2-CE1 3.97Å; L19-F108 HydrophobicContact CD2-CZ 4.07Å; L19-F108 WeakPolarHBondContact O-CZ 3.05Å
20N93.2Very high91.6Very high47 Ų4755.8 Ų55.825%0.25129%0.29SS..Hα-helixtrans-64.1-37.5174.6-173.734.2000112.1F4 F16 K17 K24F4-N20 HydrophobicContact CE1-CB 4.29Å; F16-N20 WeakPolarHBondContact O-CB 3.41Å; F16-N20 PolarHBondContact O-N 3.14Å; K17-N20 PolarHBondContact O-N 3.43Å; N20-K24 PolarHBondContact ND2-NZ 2.89Å; N20-K24 VanDerWaalsContact O-CG 3.31Å; N20-K24 WeakPolarHBondContact O-CG 3.47Å; N20-K24 PolarHBondContact O-N 3.06Å; N20-K24 VanDerWaalsContact O-N 3.15Å
21E95.5Very high92.6Very high51 Ų5153.4 Ų53.424%0.23828%0.283CS..Hα-helixtrans-64.7-44.6172.3-72.9179.9-172.400111.7K17 V18 L19 L23 K24 F25 R93K17-E21 WeakPolarHBondContact CE-OE1 3.5Å; K17-E21 WeakPolarHBondContact O-CG 3.25Å; K17-E21 PolarHBondContact O-N 3.31Å; V18-E21 WeakPolarHBondContact O-CB 3.31Å; V18-E21 PolarHBondContact O-N 3.24Å; L19-E21 VanDerWaalsContact C-N 3.31Å; L19-E21 PolarHBondContact O-N 2.96Å; E21-L23 VanDerWaalsContact C-N 3.34Å; E21-L23 PolarHBondContact O-N 3.16Å; E21-K24 WeakPolarHBondContact O-CB 3.38Å; E21-K24 PolarHBondContact O-N 2.99Å; E21-K24 VanDerWaalsContact O-N 3.08Å; E21-F25 HydrophobicContact CB-CD2 4.28Å; E21-F25 HydrophobicContact CB-CE2 4.2Å; E21-F25 WeakPolarHBondContact O-CD2 3.1Å; E21-F25 PolarHBondContact O-N 3.31Å; E21-R93 IonicContact OE2-CZ 2.63Å; E21-R93 VanDerWaalsContact OE2-CZ 3.27Å; E21-R93 IonicContact OE2-NE 2.81Å; E21-R93 PolarHBondContact OE2-NE 3.29Å; E21-R93 IonicContact OE2-NH2 3.27Å; E21-R93 PolarHBondContact OE2-NH2 3.43Å
22F96.5Very high93.8Very high17 Ų1750.7 Ų50.78%0.07525%0.254CS..Hα-helixtrans-54.1-49.6175.3-176.7-84.4000111.3V18 L19 K24 F25 N26 L90 R93 V97 F108 M109 T112V18-F22 PolarHBondContact O-N 3.34Å; L19-F22 WeakPolarHBondContact O-CB 3.32Å; L19-F22 PolarHBondContact O-N 2.94Å; F22-K24 VanDerWaalsContact C-N 3.32Å; F22-K24 PolarHBondContact O-N 2.86Å; F22-F25 PolarHBondContact O-N 3.43Å; F22-N26 WeakPolarHBondContact O-CB 3.36Å; F22-N26 PolarHBondContact O-N 2.95Å; F22-L90 HydrophobicContact CD1-CD2 4.4Å; F22-L90 HydrophobicContact CD2-CD2 3.69Å; F22-L90 HydrophobicContact CE1-CD2 4.42Å; F22-L90 HydrophobicContact CE2-CB 4.5Å; F22-L90 HydrophobicContact CE2-CD2 3.72Å; F22-L90 HydrophobicContact CG-CD2 4.04Å; F22-L90 HydrophobicContact CZ-CD2 4.1Å; F22-L90 WeakPolarHBondContact O-CD2 3.36Å; F22-R93 HydrophobicContact CB-CB 4.35Å; F22-R93 HydrophobicContact CD2-CB 4.05Å; F22-V97 HydrophobicContact CB-CG2 4.42Å; F22-V97 HydrophobicContact CD1-CG2 4Å; F22-V97 HydrophobicContact CD2-CG2 3.75Å; F22-V97 HydrophobicContact CE1-CG2 4.17Å; F22-V97 HydrophobicContact CE2-CG2 3.93Å; F22-V97 HydrophobicContact CG-CG2 3.79Å; F22-V97 HydrophobicContact CZ-CG2 4.14Å; F22-F108 AromaticContact CD1-CE1 3.72Å; F22-F108 HydrophobicContact CD1-CE1 3.72Å; F22-F108 HydrophobicContact CD1-CZ 4.12Å; F22-F108 HydrophobicContact CE1-CE1 4.21Å; F22-F108 HydrophobicContact CG-CE1 4.47Å; F22-M109 HydrophobicContact CE1-CE 4.43Å; F22-M109 HydrophobicContact CE1-SD 3.9Å; F22-M109 HydrophobicContact CZ-CE 4.48Å; F22-M109 HydrophobicContact CZ-SD 4.22Å; F22-T112 HydrophobicContact CD1-CG2 4.33Å; F22-T112 HydrophobicContact CE1-CG2 4.11Å
23L95.6Very high94.6Very high16 Ų1650.7 Ų50.78%0.08425%0.251CS..Hα-helixtrans-54.3-47175.2174.169.3000111.8F4 L19 E21 N26 A27 Y111 T112 V115F4-L23 HydrophobicContact CE2-CD2 3.84Å; F4-L23 HydrophobicContact CZ-CD2 3.56Å; L19-L23 PolarHBondContact O-N 3.37Å; E21-L23 VanDerWaalsContact C-N 3.34Å; E21-L23 PolarHBondContact O-N 3.16Å; L23-N26 PolarHBondContact O-N 3.11Å; L23-A27 WeakPolarHBondContact O-CB 3.48Å; L23-A27 PolarHBondContact O-N 2.95Å; L23-Y111 HydrophobicContact CD1-CD1 4.19Å; L23-Y111 HydrophobicContact CD1-CE1 4.19Å; L23-Y111 HydrophobicContact CD2-CD1 4.48Å; L23-Y111 HydrophobicContact CD2-CE1 3.88Å; L23-T112 HydrophobicContact CD1-CG2 4.02Å; L23-V115 HydrophobicContact CD1-CB 4.08Å; L23-V115 HydrophobicContact CD1-CG1 4.24Å; L23-V115 HydrophobicContact CD1-CG2 4.27Å
24K96.5Very high95.2Very high94 Ų9446.5 Ų46.541%0.40922%0.223SC..Hα-helixtrans-64.3-44.6-179.3-72.2170.8-175.8176.50111.9N20 E21 F22 R28N20-K24 PolarHBondContact ND2-NZ 2.89Å; N20-K24 VanDerWaalsContact O-CG 3.31Å; N20-K24 WeakPolarHBondContact O-CG 3.47Å; N20-K24 PolarHBondContact O-N 3.06Å; N20-K24 VanDerWaalsContact O-N 3.15Å; E21-K24 WeakPolarHBondContact O-CB 3.38Å; E21-K24 PolarHBondContact O-N 2.99Å; E21-K24 VanDerWaalsContact O-N 3.08Å; F22-K24 VanDerWaalsContact C-N 3.32Å; F22-K24 PolarHBondContact O-N 2.86Å; K24-R28 WeakPolarHBondContact O-CB 3.44Å; K24-R28 WeakPolarHBondContact O-CG 3.44Å; K24-R28 PolarHBondContact O-N 3.39Å
25F97.9Very high95.8Very high32 Ų3241.4 Ų41.414%0.1420%0.199CC..Hα-helixtrans-66.3-39.4178.1-76.2-64.8000111.6E21 F22 R28 L29 L86 N89 L90E21-F25 HydrophobicContact CB-CD2 4.28Å; E21-F25 HydrophobicContact CB-CE2 4.2Å; E21-F25 WeakPolarHBondContact O-CD2 3.1Å; E21-F25 PolarHBondContact O-N 3.31Å; F22-F25 PolarHBondContact O-N 3.43Å; F25-R28 PolarHBondContact O-N 3.48Å; F25-L29 WeakPolarHBondContact O-CB 3.47Å; F25-L29 PolarHBondContact O-N 2.99Å; F25-L86 HydrophobicContact CD1-CD2 3.64Å; F25-L86 HydrophobicContact CE1-CD2 4.22Å; F25-N89 HydrophobicContact CD1-CB 3.72Å; F25-N89 HydrophobicContact CD2-CB 4.09Å; F25-N89 HydrophobicContact CE1-CB 3.73Å; F25-N89 HydrophobicContact CE2-CB 4.13Å; F25-N89 HydrophobicContact CG-CB 3.91Å; F25-N89 HydrophobicContact CZ-CB 3.95Å; F25-N89 WeakPolarHBondContact CZ-OD1 3.32Å; F25-L90 HydrophobicContact CB-CD2 3.69Å; F25-L90 HydrophobicContact CB-CG 3.94Å
26N97.9Very high96.4Very high22 Ų2241.6 Ų41.612%0.11820%0.196CC..Hα-helixtrans-62.6-48.1177.8-170.367.7000110.9F22 L23 R28 L29 T30 L90 T112F22-N26 WeakPolarHBondContact O-CB 3.36Å; F22-N26 PolarHBondContact O-N 2.95Å; L23-N26 PolarHBondContact O-N 3.11Å; N26-R28 VanDerWaalsContact C-N 3.34Å; N26-R28 PolarHBondContact O-N 3Å; N26-L29 WeakPolarHBondContact O-CB 3.46Å; N26-L29 PolarHBondContact O-N 3.39Å; N26-T30 PolarHBondContact O-N 2.99Å; N26-T30 PolarHBondContact O-OG1 2.82Å; N26-T30 VanDerWaalsContact O-OG1 3.14Å; N26-L90 HydrophobicContact CB-CD2 4.07Å; N26-T112 HydrophobicContact CB-CG2 3.62Å; N26-T112 WeakPolarHBondContact ND2-CG2 3.34Å
27A98.1Very high96.8Very high0 Ų044.9 Ų44.90%021%0.212CC..Hα-helixtrans-61.8-41.6178.400000112.3L23 T30 E31 V115L23-A27 WeakPolarHBondContact O-CB 3.48Å; L23-A27 PolarHBondContact O-N 2.95Å; A27-T30 PolarHBondContact O-N 3.25Å; A27-E31 WeakPolarHBondContact O-CG 3.33Å; A27-E31 PolarHBondContact O-N 2.84Å; A27-V115 HydrophobicContact CB-CG1 4.33Å
28R98.2Very high97.1Very high115 Ų11539.9 Ų39.943%0.43419%0.191SC..Hα-helixtrans-65.8-36.4175.1-75.4175.2176.9179.6-0.8112.6K24 F25 N26 E31 A32 L86K24-R28 WeakPolarHBondContact O-CB 3.44Å; K24-R28 WeakPolarHBondContact O-CG 3.44Å; K24-R28 PolarHBondContact O-N 3.39Å; F25-R28 PolarHBondContact O-N 3.48Å; N26-R28 VanDerWaalsContact C-N 3.34Å; N26-R28 PolarHBondContact O-N 3Å; R28-E31 PolarHBondContact O-N 2.95Å; R28-A32 WeakPolarHBondContact O-CB 3.48Å; R28-A32 PolarHBondContact O-N 2.84Å; R28-L86 HydrophobicContact CB-CD1 4.11Å; R28-L86 HydrophobicContact CB-CD2 4.02Å
29L98.5Very high97.4Very high13 Ų1338.4 Ų38.47%0.06818%0.182CC..Hα-helixtrans-64.1-45.8177.6177.260.5000110.4F25 N26 A32 K33 I83 L86 E87 L90F25-L29 WeakPolarHBondContact O-CB 3.47Å; F25-L29 PolarHBondContact O-N 2.99Å; N26-L29 WeakPolarHBondContact O-CB 3.46Å; N26-L29 PolarHBondContact O-N 3.39Å; L29-A32 PolarHBondContact O-N 3.23Å; L29-K33 HydrophobicContact CD1-CD 4.29Å; L29-K33 HydrophobicContact CD1-CG 4.38Å; L29-K33 HydrophobicContact CG-CD 4.32Å; L29-K33 WeakPolarHBondContact O-CG 3.35Å; L29-K33 PolarHBondContact O-N 3.27Å; L29-I83 HydrophobicContact CD1-CB 4.38Å; L29-I83 HydrophobicContact CD1-CG1 4.39Å; L29-I83 HydrophobicContact CD1-CG2 3.85Å; L29-L86 HydrophobicContact CB-CB 4.21Å; L29-L86 HydrophobicContact CB-CD1 4.24Å; L29-L86 HydrophobicContact CD1-CB 4.03Å; L29-L86 HydrophobicContact CD1-CD1 4.41Å; L29-E87 HydrophobicContact CD1-CG 3.81Å; L29-E87 HydrophobicContact CD2-CG 3.77Å; L29-E87 HydrophobicContact CG-CG 4.49Å; L29-L90 HydrophobicContact CB-CD1 4.29Å; L29-L90 HydrophobicContact CD2-CD1 3.43Å; L29-L90 VanDerWaalsContact CD2-CD1 3.43Å; L29-L90 HydrophobicContact CG-CD1 4.5Å
30T98.3Very high97.6Very high39 Ų3941.8 Ų41.824%0.23920%0.2CC..Hα-helixtrans-62.1-45.1175.5-50.60000111.3N26 A27 A32 K33 T34 A116N26-T30 PolarHBondContact O-N 2.99Å; N26-T30 PolarHBondContact O-OG1 2.82Å; N26-T30 VanDerWaalsContact O-OG1 3.14Å; A27-T30 PolarHBondContact O-N 3.25Å; T30-A32 VanDerWaalsContact C-N 3.31Å; T30-A32 PolarHBondContact O-N 3.45Å; T30-K33 PolarHBondContact O-N 3Å; T30-T34 WeakPolarHBondContact O-CB 3.44Å; T30-T34 PolarHBondContact O-N 3.4Å; T30-T34 PolarHBondContact O-OG1 2.81Å; T30-T34 VanDerWaalsContact O-OG1 3.05Å; T30-A116 HydrophobicContact CG2-CB 4.35Å; T30-A116 WeakPolarHBondContact OG1-CB 3.38Å
31E98.5Very high97.8Very high55 Ų5543.1 Ų43.126%0.25721%0.207SC..Hα-helixtrans-58.5-41.2174.7-74.8176.2146.900112.5A27 R28 S35 R119 L123A27-E31 WeakPolarHBondContact O-CG 3.33Å; A27-E31 PolarHBondContact O-N 2.84Å; R28-E31 PolarHBondContact O-N 2.95Å; E31-S35 WeakPolarHBondContact O-CB 3.28Å; E31-S35 PolarHBondContact O-N 3.3Å; E31-S35 PolarHBondContact O-OG 3.49Å; E31-R119 HydrophobicContact CG-CB 4.04Å; E31-R119 WeakPolarHBondContact OE1-CD 3.29Å; E31-L123 HydrophobicContact CB-CD2 3.69Å; E31-L123 HydrophobicContact CG-CD2 3.94Å; E31-L123 WeakPolarHBondContact O-CD2 3.5Å
32A98.5Very high97.9Very high4 Ų440.9 Ų40.93%0.03320%0.196CC..Hα-helixtrans-66.6-43.7177.600000111.9R28 L29 T30 S35 L36 L79 Y82 I83 L86R28-A32 WeakPolarHBondContact O-CB 3.48Å; R28-A32 PolarHBondContact O-N 2.84Å; L29-A32 PolarHBondContact O-N 3.23Å; T30-A32 VanDerWaalsContact C-N 3.31Å; T30-A32 PolarHBondContact O-N 3.45Å; A32-S35 WeakPolarHBondContact O-CB 3.44Å; A32-S35 PolarHBondContact O-N 2.93Å; A32-L36 PolarHBondContact O-N 2.86Å; A32-L79 HydrophobicContact CB-CD1 4.04Å; A32-L79 WeakPolarHBondContact O-CD2 3.28Å; A32-Y82 HydrophobicContact CB-CD1 3.94Å; A32-Y82 HydrophobicContact CB-CE1 4.08Å; A32-I83 HydrophobicContact CB-CD1 4.33Å; A32-I83 HydrophobicContact CB-CG1 3.68Å; A32-L86 HydrophobicContact CB-CD1 4.05Å
33K98.5Very high97.9Very high82 Ų8241.8 Ų41.836%0.35720%0.202SC..Hα-helixtrans-62.1-44.2174.8-73.5180174.4175.70111.7L29 T30 S35 L36 E37 I83 E87L29-K33 HydrophobicContact CD1-CD 4.29Å; L29-K33 HydrophobicContact CD1-CG 4.38Å; L29-K33 HydrophobicContact CG-CD 4.32Å; L29-K33 WeakPolarHBondContact O-CG 3.35Å; L29-K33 PolarHBondContact O-N 3.27Å; T30-K33 PolarHBondContact O-N 3Å; K33-S35 VanDerWaalsContact C-N 3.32Å; K33-S35 PolarHBondContact O-N 3.2Å; K33-L36 WeakPolarHBondContact O-CB 3.41Å; K33-L36 PolarHBondContact O-N 3.17Å; K33-L36 VanDerWaalsContact O-N 3.12Å; K33-E37 WeakPolarHBondContact O-CG 3.49Å; K33-E37 PolarHBondContact O-N 3.45Å; K33-I83 HydrophobicContact CG-CD1 4.11Å; K33-I83 HydrophobicContact CG-CG1 4.46Å; K33-E87 WeakPolarHBondContact CE-OE1 3.42Å; K33-E87 IonicContact NZ-OE1 3.29Å; K33-E87 PolarHBondContact NZ-OE1 3.3Å
34T98.4Very high97.9Very high12 Ų1249.6 Ų49.67%0.07423%0.23CC..Hα-helixtrans-61-39.6173.9-61.40000112.3T30 L36 F38 S120 K124T30-T34 WeakPolarHBondContact O-CB 3.44Å; T30-T34 PolarHBondContact O-N 3.4Å; T30-T34 PolarHBondContact O-OG1 2.81Å; T30-T34 VanDerWaalsContact O-OG1 3.05Å; T34-L36 VanDerWaalsContact C-N 3.33Å; T34-F38 WeakPolarHBondContact O-CB 3.11Å; T34-F38 PolarHBondContact O-N 3.26Å; T34-S120 PolarHBondContact OG1-OG 2.92Å; T34-K124 HydrophobicContact CG2-CB 4.21Å
35S98.4Very high97.8Very high23 Ų2348 Ų4816%0.16123%0.229CC..Hα-helixtrans-65.4-37.7175.3-58.80000111.6E31 A32 K33 F38 I39E31-S35 WeakPolarHBondContact O-CB 3.28Å; E31-S35 PolarHBondContact O-N 3.3Å; E31-S35 PolarHBondContact O-OG 3.49Å; A32-S35 WeakPolarHBondContact O-CB 3.44Å; A32-S35 PolarHBondContact O-N 2.93Å; K33-S35 VanDerWaalsContact C-N 3.32Å; K33-S35 PolarHBondContact O-N 3.2Å; S35-F38 PolarHBondContact O-N 3.1Å; S35-I39 WeakPolarHBondContact O-CD1 3.35Å; S35-I39 VanDerWaalsContact O-CG1 3.23Å; S35-I39 WeakPolarHBondContact O-CG1 3.48Å; S35-I39 PolarHBondContact O-N 3.05Å
36L98.5Very high97.7Very high30 Ų3048 Ų4816%0.15723%0.23CC..Hα-helixtrans-66-47.8178.9-178.266.2000111.2A32 K33 T34 F38 I39 N40 T76 L79 K80 I83A32-L36 PolarHBondContact O-N 2.86Å; K33-L36 WeakPolarHBondContact O-CB 3.41Å; K33-L36 PolarHBondContact O-N 3.17Å; K33-L36 VanDerWaalsContact O-N 3.12Å; T34-L36 VanDerWaalsContact C-N 3.33Å; L36-F38 VanDerWaalsContact C-N 3.32Å; L36-F38 PolarHBondContact O-N 2.88Å; L36-I39 PolarHBondContact O-N 2.96Å; L36-N40 PolarHBondContact O-N 3.23Å; L36-N40 PolarHBondContact O-ND2 2.9Å; L36-T76 HydrophobicContact CD1-CG2 3.57Å; L36-L79 VanDerWaalsContact CA-CD2 3.5Å; L36-L79 HydrophobicContact CB-CD2 3.68Å; L36-L79 HydrophobicContact CB-CG 4.39Å; L36-L79 HydrophobicContact CD1-CD2 4.23Å; L36-L79 VanDerWaalsContact N-CD2 3.29Å; L36-K80 HydrophobicContact CD1-CG 4.34Å; L36-K80 HydrophobicContact CD2-CG 4.44Å; L36-I83 HydrophobicContact CB-CD1 4.2Å; L36-I83 HydrophobicContact CD2-CD1 3.74Å
37E98.2Very high97.6Very high124 Ų12452.7 Ų52.758%0.57925%0.246SC*.Hα-helixtrans-56.3-47.4173.7-72.2168.8-170.500111.2K33 I39 N40 D41K33-E37 WeakPolarHBondContact O-CG 3.49Å; K33-E37 PolarHBondContact O-N 3.45Å; E37-I39 PolarHBondContact O-N 3Å; E37-N40 PolarHBondContact O-N 2.89Å; E37-D41 PolarHBondContact O-N 3.22Å
38F98.4Very high97.5Very high25 Ų2552.7 Ų52.711%0.1125%0.246CC..Hα-helixtrans-59.6-43.6177.9172.3-100.3000113T34 S35 L36 D41 C42 P49 L127 L131T34-F38 WeakPolarHBondContact O-CB 3.11Å; T34-F38 PolarHBondContact O-N 3.26Å; S35-F38 PolarHBondContact O-N 3.1Å; L36-F38 VanDerWaalsContact C-N 3.32Å; L36-F38 PolarHBondContact O-N 2.88Å; F38-D41 WeakPolarHBondContact O-CB 3.31Å; F38-D41 PolarHBondContact O-N 2.81Å; F38-C42 VanDerWaalsContact CZ-SG 3.59Å; F38-C42 PolarHBondContact O-N 2.79Å; F38-C42 PolarHBondContact O-SG 3.32Å; F38-P49 HydrophobicContact CE1-CG 3.59Å; F38-P49 HydrophobicContact CZ-CG 3.86Å; F38-L127 HydrophobicContact CB-CD1 3.88Å; F38-L127 HydrophobicContact CD1-CB 4.02Å; F38-L127 HydrophobicContact CD1-CD1 3.95Å; F38-L127 HydrophobicContact CD1-CD2 3.97Å; F38-L127 HydrophobicContact CD1-CG 4.2Å; F38-L127 HydrophobicContact CD2-CB 3.78Å; F38-L127 HydrophobicContact CD2-CD1 4.45Å; F38-L127 HydrophobicContact CE1-CB 3.99Å; F38-L127 HydrophobicContact CE1-CD2 3.97Å; F38-L127 HydrophobicContact CE1-CG 4.41Å; F38-L127 HydrophobicContact CE2-CB 3.76Å; F38-L127 HydrophobicContact CG-CB 3.91Å; F38-L127 HydrophobicContact CG-CD1 3.83Å; F38-L127 HydrophobicContact CG-CG 4.32Å; F38-L127 HydrophobicContact CZ-CB 3.86Å; F38-L127 WeakPolarHBondContact CZ-O 3.47Å; F38-L131 HydrophobicContact CE2-CD2 4.06Å; F38-L131 HydrophobicContact CE2-CG 4.26Å; F38-L131 HydrophobicContact CZ-CD2 3.73Å; F38-L131 HydrophobicContact CZ-CG 4.2Å
39I98.1Very high97.5Very high2 Ų247.5 Ų47.51%0.0123%0.227CC..Hα-helixtrans-66.3-40178.4-65.5164000110.7S35 L36 E37 D41 C42 I43 A72 Q75 T76 L79S35-I39 WeakPolarHBondContact O-CD1 3.35Å; S35-I39 VanDerWaalsContact O-CG1 3.23Å; S35-I39 WeakPolarHBondContact O-CG1 3.48Å; S35-I39 PolarHBondContact O-N 3.05Å; L36-I39 PolarHBondContact O-N 2.96Å; E37-I39 PolarHBondContact O-N 3Å; I39-D41 VanDerWaalsContact C-N 3.3Å; I39-D41 PolarHBondContact O-N 3.13Å; I39-C42 VanDerWaalsContact O-CB 3.32Å; I39-C42 WeakPolarHBondContact O-CB 3.45Å; I39-C42 PolarHBondContact O-N 3.42Å; I39-C42 VanDerWaalsContact O-N 3.15Å; I39-I43 HydrophobicContact CG2-CD1 4.23Å; I39-I43 WeakPolarHBondContact O-CG1 3.4Å; I39-I43 PolarHBondContact O-N 2.85Å; I39-A72 HydrophobicContact CG2-CB 3.87Å; I39-A72 WeakPolarHBondContact CG2-O 3.31Å; I39-Q75 HydrophobicContact CD1-CB 4.21Å; I39-Q75 HydrophobicContact CD1-CG 3.69Å; I39-T76 VanDerWaalsContact CG2-OG1 3.28Å; I39-T76 WeakPolarHBondContact CG2-OG1 3.3Å; I39-L79 HydrophobicContact CD1-CD2 4Å
40N98Very high97.4Very high75 Ų7550.5 Ų50.540%0.40124%0.24SC..Hα-helixtrans-61.7-40.2175-71-28.9000111.5L36 E37 I43 R44L36-N40 PolarHBondContact O-N 3.23Å; L36-N40 PolarHBondContact O-ND2 2.9Å; E37-N40 PolarHBondContact O-N 2.89Å; N40-I43 PolarHBondContact O-N 3.32Å; N40-R44 WeakPolarHBondContact O-CB 3.34Å; N40-R44 PolarHBondContact O-N 3.36Å
41D97.4Very high97.2Very high75 Ų7552.8 Ų52.840%0.40125%0.254SS..Hα-helixtrans-64-38.6172.8-86.1-27.3000112.6E37 F38 I39 I43 R44 T45E37-D41 PolarHBondContact O-N 3.22Å; F38-D41 WeakPolarHBondContact O-CB 3.31Å; F38-D41 PolarHBondContact O-N 2.81Å; I39-D41 VanDerWaalsContact C-N 3.3Å; I39-D41 PolarHBondContact O-N 3.13Å; D41-I43 VanDerWaalsContact C-N 3.34Å; D41-I43 PolarHBondContact O-N 2.89Å; D41-R44 PolarHBondContact O-N 3.47Å; D41-R44 IonicContact OD1-CZ 3.47Å; D41-R44 IonicContact OD1-NE 2.81Å; D41-R44 PolarHBondContact OD1-NE 2.85Å; D41-R44 IonicContact OD1-NH2 2.77Å; D41-R44 PolarHBondContact OD1-NH2 2.92Å; D41-T45 WeakPolarHBondContact O-CB 3.33Å; D41-T45 WeakPolarHBondContact O-CG2 3.46Å; D41-T45 PolarHBondContact O-N 3.07Å; D41-T45 PolarHBondContact O-OG1 3.47Å
42C96.8Very high97.1Very high3 Ų350.8 Ų50.82%0.0224%0.244CC..Hα-helixtrans-59.5-45.8174-670000111.3F38 I39 T45 D46 R47 Y48F38-C42 VanDerWaalsContact CZ-SG 3.59Å; F38-C42 PolarHBondContact O-N 2.79Å; F38-C42 PolarHBondContact O-SG 3.32Å; I39-C42 VanDerWaalsContact O-CB 3.32Å; I39-C42 WeakPolarHBondContact O-CB 3.45Å; I39-C42 PolarHBondContact O-N 3.42Å; I39-C42 VanDerWaalsContact O-N 3.15Å; C42-T45 PolarHBondContact O-N 2.9Å; C42-D46 WeakPolarHBondContact O-CA 3.44Å; C42-D46 PolarHBondContact O-N 3.48Å; C42-R47 WeakPolarHBondContact CA-O 3.33Å; C42-R47 WeakPolarHBondContact CB-O 3.48Å; C42-R47 PolarHBondContact O-N 3.27Å; C42-R47 PolarHBondContact SG-O 3.29Å; C42-Y48 HydrophobicContact CB-CD1 4Å; C42-Y48 HydrophobicContact CB-CE1 4.24Å
43I96.8Very high96.9Very high37 Ų3751.5 Ų51.519%0.1925%0.246CC..Hα-helixtrans-62.8-44177.6-67.6166.7000111I39 N40 D41 K69 A72 I73I39-I43 HydrophobicContact CG2-CD1 4.23Å; I39-I43 WeakPolarHBondContact O-CG1 3.4Å; I39-I43 PolarHBondContact O-N 2.85Å; N40-I43 PolarHBondContact O-N 3.32Å; D41-I43 VanDerWaalsContact C-N 3.34Å; D41-I43 PolarHBondContact O-N 2.89Å; I43-K69 HydrophobicContact CG2-CD 4.38Å; I43-K69 HydrophobicContact CG2-CG 4.23Å; I43-A72 HydrophobicContact CD1-CB 3.78Å; I43-A72 HydrophobicContact CG1-CB 3.53Å; I43-I73 HydrophobicContact CD1-CG1 4.05Å
44R96.3Very high96.8Very high180 Ų18053.3 Ų53.368%0.67925%0.253SS*.Hα-helixtrans-66.9-38.8-179.1-177.117861.281.10.2112.5N40 D41N40-R44 WeakPolarHBondContact O-CB 3.34Å; N40-R44 PolarHBondContact O-N 3.36Å; D41-R44 PolarHBondContact O-N 3.47Å; D41-R44 IonicContact OD1-CZ 3.47Å; D41-R44 IonicContact OD1-NE 2.81Å; D41-R44 PolarHBondContact OD1-NE 2.85Å; D41-R44 IonicContact OD1-NH2 2.77Å; D41-R44 PolarHBondContact OD1-NH2 2.92Å
45T95.3Very high96.6Very high61 Ų6154.5 Ų54.537%0.37426%0.263SS..Hα-helixtrans-94.9-6.3-175.1610000114.1D41 C42 R47D41-T45 WeakPolarHBondContact O-CB 3.33Å; D41-T45 WeakPolarHBondContact O-CG2 3.46Å; D41-T45 PolarHBondContact O-N 3.07Å; D41-T45 PolarHBondContact O-OG1 3.47Å; C42-T45 PolarHBondContact O-N 2.9Å; T45-R47 PolarHBondContact O-N 3.08Å
46D95Very high96.4Very high31 Ų3153.6 Ų53.617%0.16626%0.256CS..THydrogen-bonded Turntrans5538.8-174-15839.9000112.3C42 Y48 S65 P136C42-D46 WeakPolarHBondContact O-CA 3.44Å; C42-D46 PolarHBondContact O-N 3.48Å; D46-Y48 WeakPolarHBondContact OD1-CE2 3.47Å; D46-Y48 PolarHBondContact OD1-OH 3.15Å; D46-S65 PolarHBondContact OD1-OG 3.19Å; D46-S65 PolarHBondContact OD2-OG 2.97Å; D46-P136 VanDerWaalsContact O-CD 3.22Å; D46-P136 WeakPolarHBondContact O-CD 3.36Å
47R95.5Very high96.2Very high120 Ų12058.1 Ų58.145%0.45327%0.271SS..  trans-124.8124.1177.4-65-173.5-176.2-137.16.2109.3C42 T45 L131C42-R47 WeakPolarHBondContact CA-O 3.33Å; C42-R47 WeakPolarHBondContact CB-O 3.48Å; C42-R47 PolarHBondContact O-N 3.27Å; C42-R47 PolarHBondContact SG-O 3.29Å; T45-R47 PolarHBondContact O-N 3.08Å; R47-L131 HydrophobicContact CB-CD2 4.49Å
48Y96.8Very high96Very high1 Ų162.3 Ų62.30%0.00428%0.281CS..  trans-124.9150.5-170.7-59.4-85.2000112.5C42 D46 Y52 W53 L68 K69 A72 E132 P136C42-Y48 HydrophobicContact CB-CD1 4Å; C42-Y48 HydrophobicContact CB-CE1 4.24Å; D46-Y48 WeakPolarHBondContact OD1-CE2 3.47Å; D46-Y48 PolarHBondContact OD1-OH 3.15Å; Y48-Y52 AromaticContact CD1-CD2 3.77Å; Y48-Y52 HydrophobicContact CD1-CD2 3.77Å; Y48-Y52 AromaticContact CD1-CE2 3.98Å; Y48-Y52 HydrophobicContact CD1-CE2 3.98Å; Y48-Y52 HydrophobicContact CG-CD2 4.25Å; Y48-W53 PolarHBondContact O-NE1 3.4Å; Y48-L68 HydrophobicContact CD1-CB 4.17Å; Y48-L68 HydrophobicContact CD2-CB 3.59Å; Y48-L68 HydrophobicContact CD2-CD1 3.85Å; Y48-L68 HydrophobicContact CD2-CG 4.2Å; Y48-L68 HydrophobicContact CE1-CB 4.24Å; Y48-L68 HydrophobicContact CE2-CB 3.66Å; Y48-L68 HydrophobicContact CE2-CD1 4.38Å; Y48-L68 HydrophobicContact CG-CB 3.85Å; Y48-L68 HydrophobicContact CG-CD1 4.46Å; Y48-L68 HydrophobicContact CG-CD2 4.35Å; Y48-L68 HydrophobicContact CG-CG 4.46Å; Y48-K69 WeakPolarHBondContact OH-CA 3.5Å; Y48-K69 WeakPolarHBondContact OH-CB 3.47Å; Y48-A72 HydrophobicContact CD1-CB 4.3Å; Y48-A72 HydrophobicContact CE1-CB 3.84Å; Y48-E132 WeakPolarHBondContact O-CB 3.45Å; Y48-E132 PolarHBondContact O-N 2.89Å; Y48-P136 HydrophobicContact CD2-CG 4.34Å; Y48-P136 HydrophobicContact CE2-CG 4.23Å
49P96.8Very high95.8Very high6 Ų666 Ų664%0.03930%0.302CS..BIsolated β-bridgetrans-59.7144.4174.8-24.935.2000113.1F38 T51 Y52 S130F38-P49 HydrophobicContact CE1-CG 3.59Å; F38-P49 HydrophobicContact CZ-CG 3.86Å; P49-T51 PolarHBondContact O-N 3.42Å; P49-Y52 WeakPolarHBondContact O-CB 3.31Å; P49-Y52 PolarHBondContact O-N 2.98Å; P49-S130 CarbonylContact C-O 3.52Å; P49-S130 VanDerWaalsContact CA-O 3.24Å; P49-S130 WeakPolarHBondContact CA-O 3.34Å
50K96.2Very high95.6Very high76 Ų7674.8 Ų74.833%0.3334%0.34SS..Hα-helixtrans-50.8-30176.2-59.1-170.4178.21750113.2Y52 W53 K54 S130 L131 E132K50-Y52 VanDerWaalsContact C-N 3.32Å; K50-Y52 PolarHBondContact O-N 3.31Å; K50-W53 PolarHBondContact O-N 3.47Å; K50-K54 WeakPolarHBondContact O-CG 3.49Å; K50-K54 PolarHBondContact O-N 3.42Å; K50-S130 WeakPolarHBondContact CG-O 3.38Å; K50-S130 PolarHBondContact N-O 3.49Å; K50-L131 WeakPolarHBondContact CE-O 3.48Å; K50-E132 VanDerWaalsContact CE-OE1 3.29Å; K50-E132 WeakPolarHBondContact CE-OE1 3.21Å; K50-E132 HydrophobicContact CG-CB 4.09Å; K50-E132 WeakPolarHBondContact CG-OE2 3.29Å
51T95.7Very high95.3Very high87 Ų8774 Ų7453%0.53434%0.335SS..Hα-helixtrans-63.6-34177.7520000112.9P49 K54 S55P49-T51 PolarHBondContact O-N 3.42Å; T51-K54 PolarHBondContact O-N 3.16Å; T51-S55 WeakPolarHBondContact O-CB 3.44Å; T51-S55 PolarHBondContact O-N 3.1Å
52Y96.2Very high94.9Very high12 Ų1273.2 Ų73.25%0.04733%0.327CS..Hα-helixtrans-67.1-47.3177.5-74.614.7000110.7Y48 P49 K50 K54 S55 L56 Q71 A72 Q75Y48-Y52 AromaticContact CD1-CD2 3.77Å; Y48-Y52 HydrophobicContact CD1-CD2 3.77Å; Y48-Y52 AromaticContact CD1-CE2 3.98Å; Y48-Y52 HydrophobicContact CD1-CE2 3.98Å; Y48-Y52 HydrophobicContact CG-CD2 4.25Å; P49-Y52 WeakPolarHBondContact O-CB 3.31Å; P49-Y52 PolarHBondContact O-N 2.98Å; K50-Y52 VanDerWaalsContact C-N 3.32Å; K50-Y52 PolarHBondContact O-N 3.31Å; Y52-K54 VanDerWaalsContact C-N 3.33Å; Y52-K54 PolarHBondContact O-N 3.45Å; Y52-S55 PolarHBondContact O-N 2.83Å; Y52-L56 WeakPolarHBondContact O-CG 3.37Å; Y52-L56 PolarHBondContact O-N 2.84Å; Y52-Q71 HydrophobicContact CD1-CG 4.33Å; Y52-Q71 HydrophobicContact CD2-CB 4.37Å; Y52-Q71 HydrophobicContact CD2-CG 4.14Å; Y52-Q71 HydrophobicContact CE2-CG 4.43Å; Y52-Q71 HydrophobicContact CG-CG 4.09Å; Y52-A72 HydrophobicContact CE2-CB 3.79Å; Y52-Q75 VanDerWaalsContact OH-CD 3.32Å; Y52-Q75 PolarHBondContact OH-OE1 3.28Å
53W94.6Very high94.7Very high19 Ų1973.7 Ų73.77%0.07233%0.33CS..Hα-helixtrans-57.4-46.5175.6-58.283.6000111.6Y48 K50 R57 P63 L68 E132 D134 P136Y48-W53 PolarHBondContact O-NE1 3.4Å; K50-W53 PolarHBondContact O-N 3.47Å; W53-R57 WeakPolarHBondContact O-CG 3.31Å; W53-R57 PolarHBondContact O-N 3.17Å; W53-R57 VanDerWaalsContact O-N 3.09Å; W53-P63 HydrophobicContact CD2-CB 4.36Å; W53-P63 HydrophobicContact CE3-CB 3.65Å; W53-P63 HydrophobicContact CE3-CG 3.8Å; W53-P63 HydrophobicContact CZ3-CB 4.28Å; W53-P63 HydrophobicContact CZ3-CG 4.36Å; W53-L68 HydrophobicContact CD2-CD1 4.09Å; W53-L68 HydrophobicContact CD2-CD2 4.23Å; W53-L68 HydrophobicContact CE3-CD1 4.26Å; W53-L68 HydrophobicContact CG-CD2 4.2Å; W53-L68 HydrophobicContact CH2-CD1 4.08Å; W53-L68 HydrophobicContact CZ2-CD1 3.84Å; W53-L68 HydrophobicContact CZ3-CD1 4.25Å; W53-E132 HydrophobicContact CD2-CG 4.34Å; W53-E132 HydrophobicContact CZ2-CB 4.23Å; W53-E132 HydrophobicContact CZ2-CG 4.06Å; W53-E132 VanDerWaalsContact NE1-CB 3.28Å; W53-D134 WeakPolarHBondContact CZ2-O 3.41Å; W53-P136 VanDerWaalsContact CH2-CA 3.5Å; W53-P136 HydrophobicContact CH2-CB 3.77Å; W53-P136 HydrophobicContact CZ2-CB 4.16Å; W53-P136 HydrophobicContact CZ3-CB 4.49Å
54K94.9Very high94.5Very high120 Ų12073 Ų7352%0.52233%0.327SS..Hα-helixtrans-62.5-43.1176.8-71.9-179.9-178.6-174.50112K50 T51 Y52 R57 R58K50-K54 WeakPolarHBondContact O-CG 3.49Å; K50-K54 PolarHBondContact O-N 3.42Å; T51-K54 PolarHBondContact O-N 3.16Å; Y52-K54 VanDerWaalsContact C-N 3.33Å; Y52-K54 PolarHBondContact O-N 3.45Å; K54-R57 PolarHBondContact O-N 3.44Å; K54-R58 WeakPolarHBondContact O-CG 3.49Å; K54-R58 PolarHBondContact O-N 2.88Å
55S95.1Very high94.4Very high38 Ų3865.5 Ų65.527%0.26630%0.302SS..Hα-helixtrans-63.3-46.1179.1179.50000112T51 Y52 R57 R58 N59T51-S55 WeakPolarHBondContact O-CB 3.44Å; T51-S55 PolarHBondContact O-N 3.1Å; Y52-S55 PolarHBondContact O-N 2.83Å; S55-R57 PolarHBondContact O-N 2.97Å; S55-R58 PolarHBondContact O-N 3.26Å; S55-N59 PolarHBondContact O-N 3.05Å; S55-N59 VanDerWaalsContact O-N 3.14Å; S55-N59 PolarHBondContact O-ND2 3.12Å
56L95Very high94.3Very high3 Ų372.6 Ų72.62%0.01632%0.322CS..Hα-helixtrans-61.7-46.1177.4-69.8173.4000111.8Y52 R58 N59 K60 I61 P63 L68Y52-L56 WeakPolarHBondContact O-CG 3.37Å; Y52-L56 PolarHBondContact O-N 2.84Å; L56-R58 VanDerWaalsContact C-N 3.34Å; L56-R58 PolarHBondContact O-N 3.34Å; L56-N59 CarbonylContact O-C 3.44Å; L56-N59 PolarHBondContact O-N 3.05Å; L56-N59 VanDerWaalsContact O-N 3.09Å; L56-K60 PolarHBondContact O-N 2.85Å; L56-I61 CarbonylContact C-O 3.3Å; L56-I61 VanDerWaalsContact C-O 3.3Å; L56-I61 HydrophobicContact CB-CB 4.33Å; L56-I61 HydrophobicContact CD2-CB 4.16Å; L56-I61 HydrophobicContact CD2-CD1 4.28Å; L56-I61 HydrophobicContact CD2-CG2 3.94Å; L56-I61 PolarHBondContact O-N 3.03Å; L56-P63 HydrophobicContact CB-CB 4.26Å; L56-P63 HydrophobicContact CD1-CB 3.93Å; L56-L68 HydrophobicContact CD1-CD2 3.55Å; L56-L68 HydrophobicContact CD1-CG 3.79Å
57R93Very high94.3Very high126 Ų12671.9 Ų71.948%0.47532%0.319SS..Hα-helixtrans-60-41.6177-73.3-172.6-69.4-116.73.1112.5W53 K54 S55 N59 K60 P63W53-R57 WeakPolarHBondContact O-CG 3.31Å; W53-R57 PolarHBondContact O-N 3.17Å; W53-R57 VanDerWaalsContact O-N 3.09Å; K54-R57 PolarHBondContact O-N 3.44Å; S55-R57 PolarHBondContact O-N 2.97Å; R57-N59 PolarHBondContact O-N 3.34Å; R57-K60 PolarHBondContact O-N 3.14Å; R57-P63 HydrophobicContact CG-CG 4.16Å
58R95Very high94.4Very high211 Ų21166.1 Ų66.180%0.79630%0.297SS*.Hα-helixtrans-60.8-34.9175.4-76.6176.7178.3-175.2-2.4112.5K54 S55 L56 K60K54-R58 WeakPolarHBondContact O-CG 3.49Å; K54-R58 PolarHBondContact O-N 2.88Å; S55-R58 PolarHBondContact O-N 3.26Å; L56-R58 VanDerWaalsContact C-N 3.34Å; L56-R58 PolarHBondContact O-N 3.34Å; R58-K60 PolarHBondContact O-N 3.27Å
59N93.8Very high94.4Very high103 Ų10370.7 Ų70.755%0.55132%0.317SS*.THydrogen-bonded Turntrans-86.113.8176.4-66.3-35.6000113.3S55 L56 R57 I61S55-N59 PolarHBondContact O-N 3.05Å; S55-N59 VanDerWaalsContact O-N 3.14Å; S55-N59 PolarHBondContact O-ND2 3.12Å; L56-N59 CarbonylContact O-C 3.44Å; L56-N59 PolarHBondContact O-N 3.05Å; L56-N59 VanDerWaalsContact O-N 3.09Å; R57-N59 PolarHBondContact O-N 3.34Å; N59-I61 HydrophobicContact CB-CD1 4.13Å; N59-I61 HydrophobicContact CB-CG1 4.4Å; N59-I61 PolarHBondContact O-N 3.04Å
60K92.9Very high94.4Very high187 Ų18776.8 Ų76.881%0.81334%0.339SS*.THydrogen-bonded Turntrans57.328.1-178-53179.7-178178.80113.7L56 R57 R58L56-K60 PolarHBondContact O-N 2.85Å; R57-K60 PolarHBondContact O-N 3.14Å; R58-K60 PolarHBondContact O-N 3.27Å
61I91.6Very high94.4Very high57 Ų5775.8 Ų75.829%0.29234%0.336SS..  trans-102.4129.5176.2-62166.6000108.8L56 N59 P63 T67L56-I61 CarbonylContact C-O 3.3Å; L56-I61 VanDerWaalsContact C-O 3.3Å; L56-I61 HydrophobicContact CB-CB 4.33Å; L56-I61 HydrophobicContact CD2-CB 4.16Å; L56-I61 HydrophobicContact CD2-CD1 4.28Å; L56-I61 HydrophobicContact CD2-CG2 3.94Å; L56-I61 PolarHBondContact O-N 3.03Å; N59-I61 HydrophobicContact CB-CD1 4.13Å; N59-I61 HydrophobicContact CB-CG1 4.4Å; N59-I61 PolarHBondContact O-N 3.04Å; I61-P63 WeakPolarHBondContact O-CD 3.21Å; I61-T67 HydrophobicContact CG2-CG2 3.64Å
62Y90.6Very high94.5Very high60 Ų6071.6 Ų71.624%0.23531%0.31CS..  trans-68.4122175.4-172.7-103.6000110.9N64 T67 E137 F140 P141 L147Y62-N64 HydrophobicContact CD1-CB 4.05Å; Y62-N64 HydrophobicContact CE1-CB 4.28Å; Y62-N64 PolarHBondContact O-N 3.05Å; Y62-T67 PolarHBondContact O-OG1 3.36Å; Y62-E137 VanDerWaalsContact OH-CD 3.27Å; Y62-E137 PolarHBondContact OH-OE2 3.46Å; Y62-F140 HydrophobicContact CD1-CD2 4.39Å; Y62-F140 HydrophobicContact CD1-CE2 4.36Å; Y62-F140 HydrophobicContact CG-CE2 4.39Å; Y62-P141 HydrophobicContact CE1-CG 4.25Å; Y62-P141 HydrophobicContact CE2-CG 4.37Å; Y62-L147 HydrophobicContact CD2-CD2 4.33Å
63P91.6Very high94.6Very high13 Ų1374.3 Ų74.38%0.08433%0.325CS..  trans-78.884.5-176.833-35.4000111.5W53 L56 R57 I61 L68W53-P63 HydrophobicContact CD2-CB 4.36Å; W53-P63 HydrophobicContact CE3-CB 3.65Å; W53-P63 HydrophobicContact CE3-CG 3.8Å; W53-P63 HydrophobicContact CZ3-CB 4.28Å; W53-P63 HydrophobicContact CZ3-CG 4.36Å; L56-P63 HydrophobicContact CB-CB 4.26Å; L56-P63 HydrophobicContact CD1-CB 3.93Å; R57-P63 HydrophobicContact CG-CG 4.16Å; I61-P63 WeakPolarHBondContact O-CD 3.21Å; P63-L68 HydrophobicContact CB-CG 4.48Å
64N92.7Very high94.6Very high22 Ų2277.5 Ų77.512%0.11834%0.343CS..  trans-101.4172167.662.644.6000111.3Y62 R66 T67 L68 E137Y62-N64 HydrophobicContact CD1-CB 4.05Å; Y62-N64 HydrophobicContact CE1-CB 4.28Å; Y62-N64 PolarHBondContact O-N 3.05Å; N64-R66 VanDerWaalsContact C-N 3.27Å; N64-R66 PolarHBondContact O-N 3.27Å; N64-R66 WeakPolarHBondContact OD1-CB 3.47Å; N64-R66 PolarHBondContact OD1-N 3.45Å; N64-R66 VanDerWaalsContact OD1-N 3.17Å; N64-T67 PolarHBondContact N-OG1 2.88Å; N64-T67 PolarHBondContact O-N 3.39Å; N64-T67 VanDerWaalsContact O-N 3.11Å; N64-T67 PolarHBondContact O-OG1 3.26Å; N64-T67 WeakPolarHBondContact OD1-CG2 3.39Å; N64-T67 PolarHBondContact OD1-N 2.91Å; N64-T67 PolarHBondContact OD1-OG1 3.36Å; N64-L68 PolarHBondContact O-N 3.21Å; N64-E137 WeakPolarHBondContact CB-O 3.35Å
65S93.8Very high94.7Very high23 Ų2375.5 Ų75.516%0.16134%0.336CS..Hα-helixtrans-54.2-41.9-176.9174.30000112.4D46 T67 L68 K69 E137D46-S65 PolarHBondContact OD1-OG 3.19Å; D46-S65 PolarHBondContact OD2-OG 2.97Å; S65-T67 PolarHBondContact O-N 3.01Å; S65-L68 PolarHBondContact O-N 3.43Å; S65-K69 WeakPolarHBondContact O-CB 3.38Å; S65-K69 PolarHBondContact O-N 3.02Å; S65-E137 PolarHBondContact N-O 3.47Å
66R94.5Very high94.9Very high210 Ų21074.1 Ų74.179%0.79233%0.325SS*.Hα-helixtrans-62.5-46.9178.7-175.3-179.6-179.1-174.51.1112.2N64 R70N64-R66 VanDerWaalsContact C-N 3.27Å; N64-R66 PolarHBondContact O-N 3.27Å; N64-R66 WeakPolarHBondContact OD1-CB 3.47Å; N64-R66 PolarHBondContact OD1-N 3.45Å; N64-R66 VanDerWaalsContact OD1-N 3.17Å; R66-R70 WeakPolarHBondContact O-CB 3.43Å; R66-R70 PolarHBondContact O-N 2.88Å
67T95.2Very high95Very high15 Ų1577.8 Ų77.89%0.09235%0.345CS..Hα-helixtrans-69.1-38.3-178.3570000112.5I61 Y62 N64 S65 R70 Q71I61-T67 HydrophobicContact CG2-CG2 3.64Å; Y62-T67 PolarHBondContact O-OG1 3.36Å; N64-T67 PolarHBondContact N-OG1 2.88Å; N64-T67 PolarHBondContact O-N 3.39Å; N64-T67 VanDerWaalsContact O-N 3.11Å; N64-T67 PolarHBondContact O-OG1 3.26Å; N64-T67 WeakPolarHBondContact OD1-CG2 3.39Å; N64-T67 PolarHBondContact OD1-N 2.91Å; N64-T67 PolarHBondContact OD1-OG1 3.36Å; S65-T67 PolarHBondContact O-N 3.01Å; T67-R70 PolarHBondContact O-N 3.34Å; T67-Q71 PolarHBondContact O-N 2.9Å
68L96.6Very high95.1Very high0 Ų075.7 Ų75.70%035%0.35CS..Hα-helixtrans-68.9-43.1176-71.7162000111.6Y48 W53 L56 P63 N64 S65 R70 Q71 A72 P136Y48-L68 HydrophobicContact CD1-CB 4.17Å; Y48-L68 HydrophobicContact CD2-CB 3.59Å; Y48-L68 HydrophobicContact CD2-CD1 3.85Å; Y48-L68 HydrophobicContact CD2-CG 4.2Å; Y48-L68 HydrophobicContact CE1-CB 4.24Å; Y48-L68 HydrophobicContact CE2-CB 3.66Å; Y48-L68 HydrophobicContact CE2-CD1 4.38Å; Y48-L68 HydrophobicContact CG-CB 3.85Å; Y48-L68 HydrophobicContact CG-CD1 4.46Å; Y48-L68 HydrophobicContact CG-CD2 4.35Å; Y48-L68 HydrophobicContact CG-CG 4.46Å; W53-L68 HydrophobicContact CD2-CD1 4.09Å; W53-L68 HydrophobicContact CD2-CD2 4.23Å; W53-L68 HydrophobicContact CE3-CD1 4.26Å; W53-L68 HydrophobicContact CG-CD2 4.2Å; W53-L68 HydrophobicContact CH2-CD1 4.08Å; W53-L68 HydrophobicContact CZ2-CD1 3.84Å; W53-L68 HydrophobicContact CZ3-CD1 4.25Å; L56-L68 HydrophobicContact CD1-CD2 3.55Å; L56-L68 HydrophobicContact CD1-CG 3.79Å; P63-L68 HydrophobicContact CB-CG 4.48Å; N64-L68 PolarHBondContact O-N 3.21Å; S65-L68 PolarHBondContact O-N 3.43Å; L68-R70 VanDerWaalsContact C-N 3.31Å; L68-R70 PolarHBondContact O-N 3.41Å; L68-Q71 WeakPolarHBondContact O-CB 3.47Å; L68-Q71 PolarHBondContact O-N 3.24Å; L68-A72 WeakPolarHBondContact O-CB 3.39Å; L68-A72 PolarHBondContact O-N 3.29Å; L68-P136 HydrophobicContact CD1-CB 3.48Å; L68-P136 VanDerWaalsContact CD1-CB 3.48Å; L68-P136 HydrophobicContact CD1-CG 4.09Å
69K96.9Very high95.3Very high97 Ų9766.7 Ų66.742%0.42232%0.318SS..Hα-helixtrans-59.3-43173.4-174172.7179.41750111.5I43 Y48 S65 A72 I73I43-K69 HydrophobicContact CG2-CD 4.38Å; I43-K69 HydrophobicContact CG2-CG 4.23Å; Y48-K69 WeakPolarHBondContact OH-CA 3.5Å; Y48-K69 WeakPolarHBondContact OH-CB 3.47Å; S65-K69 WeakPolarHBondContact O-CB 3.38Å; S65-K69 PolarHBondContact O-N 3.02Å; K69-A72 WeakPolarHBondContact O-CB 3.47Å; K69-A72 PolarHBondContact O-N 2.9Å; K69-I73 HydrophobicContact CG-CD1 4.01Å; K69-I73 WeakPolarHBondContact O-CG1 2.99Å; K69-I73 PolarHBondContact O-N 3.26Å
70R96.7Very high95.5Very high134 Ų13466.3 Ų66.351%0.50631%0.311SS..Hα-helixtrans-61.7-44.7175.6-176173.764.3-178.31.1111.8R66 T67 L68 A72 I73 N74R66-R70 WeakPolarHBondContact O-CB 3.43Å; R66-R70 PolarHBondContact O-N 2.88Å; T67-R70 PolarHBondContact O-N 3.34Å; L68-R70 VanDerWaalsContact C-N 3.31Å; L68-R70 PolarHBondContact O-N 3.41Å; R70-A72 VanDerWaalsContact C-N 3.28Å; R70-A72 PolarHBondContact O-N 3.4Å; R70-I73 PolarHBondContact O-N 2.94Å; R70-N74 VanDerWaalsContact O-CG 3.24Å; R70-N74 PolarHBondContact O-N 2.9Å; R70-N74 PolarHBondContact O-OD1 3.35Å
71Q96.4Very high95.7Very high54 Ų5463.3 Ų63.325%0.25230%0.301SS..Hα-helixtrans-57.7-43.4174.9-173.271.616.600111.4Y52 T67 L68 N74 Q75Y52-Q71 HydrophobicContact CD1-CG 4.33Å; Y52-Q71 HydrophobicContact CD2-CB 4.37Å; Y52-Q71 HydrophobicContact CD2-CG 4.14Å; Y52-Q71 HydrophobicContact CE2-CG 4.43Å; Y52-Q71 HydrophobicContact CG-CG 4.09Å; T67-Q71 PolarHBondContact O-N 2.9Å; L68-Q71 WeakPolarHBondContact O-CB 3.47Å; L68-Q71 PolarHBondContact O-N 3.24Å; Q71-N74 PolarHBondContact O-N 3.04Å; Q71-Q75 PolarHBondContact O-N 3.03Å; Q71-Q75 VanDerWaalsContact O-N 3.09Å
72A97.6Very high96Very high0 Ų065.1 Ų65.10%031%0.305CS..Hα-helixtrans-62.3-48.117800000111.9I39 I43 Y48 Y52 L68 K69 R70 N74 Q75 T76I39-A72 HydrophobicContact CG2-CB 3.87Å; I39-A72 WeakPolarHBondContact CG2-O 3.31Å; I43-A72 HydrophobicContact CD1-CB 3.78Å; I43-A72 HydrophobicContact CG1-CB 3.53Å; Y48-A72 HydrophobicContact CD1-CB 4.3Å; Y48-A72 HydrophobicContact CE1-CB 3.84Å; Y52-A72 HydrophobicContact CE2-CB 3.79Å; L68-A72 WeakPolarHBondContact O-CB 3.39Å; L68-A72 PolarHBondContact O-N 3.29Å; K69-A72 WeakPolarHBondContact O-CB 3.47Å; K69-A72 PolarHBondContact O-N 2.9Å; R70-A72 VanDerWaalsContact C-N 3.28Å; R70-A72 PolarHBondContact O-N 3.4Å; A72-N74 PolarHBondContact O-N 3.46Å; A72-Q75 PolarHBondContact O-N 3.41Å; A72-Q75 VanDerWaalsContact O-N 3.17Å; A72-T76 PolarHBondContact O-N 2.97Å; A72-T76 PolarHBondContact O-OG1 3.38Å; A72-T76 VanDerWaalsContact O-OG1 3.13Å
73I97.7Very high96.4Very high69 Ų6962.8 Ų62.835%0.35430%0.297SS..Hα-helixtrans-59.2-46.8177.8-68.6165.5000111I43 K69 R70 Q75 T76 D77I43-I73 HydrophobicContact CD1-CG1 4.05Å; K69-I73 HydrophobicContact CG-CD1 4.01Å; K69-I73 WeakPolarHBondContact O-CG1 2.99Å; K69-I73 PolarHBondContact O-N 3.26Å; R70-I73 PolarHBondContact O-N 2.94Å; I73-Q75 VanDerWaalsContact C-N 3.25Å; I73-Q75 PolarHBondContact O-N 3.49Å; I73-T76 VanDerWaalsContact O-CB 3.3Å; I73-T76 WeakPolarHBondContact O-CB 3.46Å; I73-T76 PolarHBondContact O-N 3.05Å; I73-T76 VanDerWaalsContact O-N 3.09Å; I73-D77 PolarHBondContact O-N 2.71Å
74N96Very high96.7Very high85 Ų8565.4 Ų65.446%0.45531%0.31SS..Hα-helixtrans-59.3-38.9177.8-68.2-2.3000112R70 Q71 A72 S78R70-N74 VanDerWaalsContact O-CG 3.24Å; R70-N74 PolarHBondContact O-N 2.9Å; R70-N74 PolarHBondContact O-OD1 3.35Å; Q71-N74 PolarHBondContact O-N 3.04Å; A72-N74 PolarHBondContact O-N 3.46Å; N74-S78 PolarHBondContact O-N 2.87Å; N74-S78 PolarHBondContact O-OG 3.33Å
75Q96.9Very high97Very high79 Ų7968.4 Ų68.437%0.36933%0.326SS..Hα-helixtrans-70-39.4176-171.2174.6-16.900111.8I39 Y52 Q71 A72 I73 D77 S78 L79I39-Q75 HydrophobicContact CD1-CB 4.21Å; I39-Q75 HydrophobicContact CD1-CG 3.69Å; Y52-Q75 VanDerWaalsContact OH-CD 3.32Å; Y52-Q75 PolarHBondContact OH-OE1 3.28Å; Q71-Q75 PolarHBondContact O-N 3.03Å; Q71-Q75 VanDerWaalsContact O-N 3.09Å; A72-Q75 PolarHBondContact O-N 3.41Å; A72-Q75 VanDerWaalsContact O-N 3.17Å; I73-Q75 VanDerWaalsContact C-N 3.25Å; I73-Q75 PolarHBondContact O-N 3.49Å; Q75-D77 VanDerWaalsContact C-N 3.31Å; Q75-D77 PolarHBondContact O-N 3.46Å; Q75-S78 PolarHBondContact O-N 2.99Å; Q75-L79 WeakPolarHBondContact O-CB 3.39Å; Q75-L79 PolarHBondContact O-N 3.29Å
76T97.8Very high97.2Very high8 Ų867.5 Ų67.55%0.04932%0.319CS..Hα-helixtrans-55.1-46.2173.6-66.70000111.1L36 I39 A72 I73 L79 K80L36-T76 HydrophobicContact CD1-CG2 3.57Å; I39-T76 VanDerWaalsContact CG2-OG1 3.28Å; I39-T76 WeakPolarHBondContact CG2-OG1 3.3Å; A72-T76 PolarHBondContact O-N 2.97Å; A72-T76 PolarHBondContact O-OG1 3.38Å; A72-T76 VanDerWaalsContact O-OG1 3.13Å; I73-T76 VanDerWaalsContact O-CB 3.3Å; I73-T76 WeakPolarHBondContact O-CB 3.46Å; I73-T76 PolarHBondContact O-N 3.05Å; I73-T76 VanDerWaalsContact O-N 3.09Å; T76-L79 PolarHBondContact O-N 3.09Å; T76-K80 HydrophobicContact CG2-CD 4.34Å; T76-K80 WeakPolarHBondContact O-CG 3.49Å; T76-K80 PolarHBondContact O-N 3.01Å
77D96.8Very high97.3Very high80 Ų8060.8 Ų60.843%0.42830%0.297SS..Hα-helixtrans-66.3-43.6-179.1-67-24.4000112.1I73 Q75 L79 K80 M81I73-D77 PolarHBondContact O-N 2.71Å; Q75-D77 VanDerWaalsContact C-N 3.31Å; Q75-D77 PolarHBondContact O-N 3.46Å; D77-L79 VanDerWaalsContact C-N 3.26Å; D77-L79 PolarHBondContact O-N 3.17Å; D77-K80 PolarHBondContact O-N 3.48Å; D77-K80 IonicContact OD1-NZ 2.84Å; D77-M81 PolarHBondContact O-N 3.33Å; D77-M81 VanDerWaalsContact O-N 3.16Å
78S96.9Very high97.5Very high83 Ų8368.6 Ų68.658%0.5833%0.325SS*.Hα-helixtrans-59.5-40.2173.9-57.30000111.7N74 Q75 M81 Y82N74-S78 PolarHBondContact O-N 2.87Å; N74-S78 PolarHBondContact O-OG 3.33Å; Q75-S78 PolarHBondContact O-N 2.99Å; S78-M81 PolarHBondContact O-N 2.87Å; S78-Y82 PolarHBondContact O-N 2.94Å
79L97.6Very high97.5Very high22 Ų2269.9 Ų69.912%0.11533%0.331CS..Hα-helixtrans-72.8-35.6-178.2-167.862.4000112.4A32 L36 I39 Q75 T76 D77 Y82 I83A32-L79 HydrophobicContact CB-CD1 4.04Å; A32-L79 WeakPolarHBondContact O-CD2 3.28Å; L36-L79 VanDerWaalsContact CA-CD2 3.5Å; L36-L79 HydrophobicContact CB-CD2 3.68Å; L36-L79 HydrophobicContact CB-CG 4.39Å; L36-L79 HydrophobicContact CD1-CD2 4.23Å; L36-L79 VanDerWaalsContact N-CD2 3.29Å; I39-L79 HydrophobicContact CD1-CD2 4Å; Q75-L79 WeakPolarHBondContact O-CB 3.39Å; Q75-L79 PolarHBondContact O-N 3.29Å; T76-L79 PolarHBondContact O-N 3.09Å; D77-L79 VanDerWaalsContact C-N 3.26Å; D77-L79 PolarHBondContact O-N 3.17Å; L79-Y82 HydrophobicContact CD1-CD1 4.16Å; L79-Y82 PolarHBondContact O-N 3.13Å; L79-I83 HydrophobicContact CG-CD1 4.36Å; L79-I83 WeakPolarHBondContact O-CB 3.32Å; L79-I83 VanDerWaalsContact O-CG1 3.31Å; L79-I83 WeakPolarHBondContact O-CG1 3.49Å; L79-I83 PolarHBondContact O-N 3Å
80K98.2Very high97.4Very high95 Ų9566.1 Ų66.141%0.41332%0.316SS..Hα-helixtrans-60.8-44.1171.2-74.7170.7179.3169.50111.5L36 T76 D77 Y82 I83 N84L36-K80 HydrophobicContact CD1-CG 4.34Å; L36-K80 HydrophobicContact CD2-CG 4.44Å; T76-K80 HydrophobicContact CG2-CD 4.34Å; T76-K80 WeakPolarHBondContact O-CG 3.49Å; T76-K80 PolarHBondContact O-N 3.01Å; D77-K80 PolarHBondContact O-N 3.48Å; D77-K80 IonicContact OD1-NZ 2.84Å; K80-Y82 VanDerWaalsContact C-N 3.31Å; K80-Y82 PolarHBondContact O-N 3.46Å; K80-I83 PolarHBondContact O-N 3.09Å; K80-N84 VanDerWaalsContact O-CG 3.28Å; K80-N84 PolarHBondContact O-N 3.4Å
81M97.7Very high97.4Very high123 Ų12364.3 Ų64.361%0.60632%0.324SS*.Hα-helixtrans-61.8-41174.9-69-59.9104.200111.9D77 S78 N84 N85D77-M81 PolarHBondContact O-N 3.33Å; D77-M81 VanDerWaalsContact O-N 3.16Å; S78-M81 PolarHBondContact O-N 2.87Å; M81-N84 PolarHBondContact O-N 2.84Å; M81-N85 PolarHBondContact O-N 3.17Å; M81-N85 VanDerWaalsContact O-N 3.1Å
82Y98.2Very high97.3Very high95 Ų9568.5 Ų68.537%0.37334%0.343SS..Hα-helixtrans-64.4-43.3175.6-177.7-121.3000112.5A32 S78 L79 K80 N84 N85 L86A32-Y82 HydrophobicContact CB-CD1 3.94Å; A32-Y82 HydrophobicContact CB-CE1 4.08Å; S78-Y82 PolarHBondContact O-N 2.94Å; L79-Y82 HydrophobicContact CD1-CD1 4.16Å; L79-Y82 PolarHBondContact O-N 3.13Å; K80-Y82 VanDerWaalsContact C-N 3.31Å; K80-Y82 PolarHBondContact O-N 3.46Å; Y82-N84 PolarHBondContact O-N 2.92Å; Y82-N85 WeakPolarHBondContact O-CB 3.31Å; Y82-N85 PolarHBondContact O-N 2.88Å; Y82-L86 HydrophobicContact CD1-CD1 3.88Å; Y82-L86 HydrophobicContact CD2-CG 4.45Å; Y82-L86 HydrophobicContact CE1-CD1 3.51Å; Y82-L86 HydrophobicContact CE1-CG 4.24Å; Y82-L86 HydrophobicContact CE2-CD1 4.28Å; Y82-L86 HydrophobicContact CE2-CD2 4.13Å; Y82-L86 HydrophobicContact CE2-CG 4.13Å; Y82-L86 HydrophobicContact CG-CD1 4.43Å; Y82-L86 WeakPolarHBondContact O-CG 3.23Å; Y82-L86 PolarHBondContact O-N 3.12Å
83I98.6Very high97.1Very high12 Ų1270.3 Ų70.36%0.06235%0.35CS..Hα-helixtrans-56.7-49.1174.2-75.5165.7000110.5L29 A32 K33 L36 L79 K80 N85 L86 E87L29-I83 HydrophobicContact CD1-CB 4.38Å; L29-I83 HydrophobicContact CD1-CG1 4.39Å; L29-I83 HydrophobicContact CD1-CG2 3.85Å; A32-I83 HydrophobicContact CB-CD1 4.33Å; A32-I83 HydrophobicContact CB-CG1 3.68Å; K33-I83 HydrophobicContact CG-CD1 4.11Å; K33-I83 HydrophobicContact CG-CG1 4.46Å; L36-I83 HydrophobicContact CB-CD1 4.2Å; L36-I83 HydrophobicContact CD2-CD1 3.74Å; L79-I83 HydrophobicContact CG-CD1 4.36Å; L79-I83 WeakPolarHBondContact O-CB 3.32Å; L79-I83 VanDerWaalsContact O-CG1 3.31Å; L79-I83 WeakPolarHBondContact O-CG1 3.49Å; L79-I83 PolarHBondContact O-N 3Å; K80-I83 PolarHBondContact O-N 3.09Å; I83-N85 VanDerWaalsContact C-N 3.27Å; I83-N85 PolarHBondContact O-N 3.37Å; I83-L86 WeakPolarHBondContact O-CB 3.45Å; I83-L86 PolarHBondContact O-N 3.43Å; I83-L86 VanDerWaalsContact O-N 3.1Å; I83-E87 HydrophobicContact CG2-CG 4.43Å; I83-E87 WeakPolarHBondContact O-CG 3.33Å; I83-E87 PolarHBondContact O-N 3.4Å
84N98.3Very high96.9Very high67 Ų6767.7 Ų67.736%0.35834%0.34SS..Hα-helixtrans-58.9-39.3178.4-68.9-14000112.1K80 M81 Y82 E87 R88K80-N84 VanDerWaalsContact O-CG 3.28Å; K80-N84 PolarHBondContact O-N 3.4Å; M81-N84 PolarHBondContact O-N 2.84Å; Y82-N84 PolarHBondContact O-N 2.92Å; N84-E87 PolarHBondContact O-N 3.39Å; N84-R88 WeakPolarHBondContact O-CG 3.43Å; N84-R88 PolarHBondContact O-N 2.94Å
85N98.1Very high96.7Very high86 Ų8666.9 Ų66.946%0.4634%0.341SS..Hα-helixtrans-66-42.3176-1729.5000111.9M81 Y82 I83 R88 N89M81-N85 PolarHBondContact O-N 3.17Å; M81-N85 VanDerWaalsContact O-N 3.1Å; Y82-N85 WeakPolarHBondContact O-CB 3.31Å; Y82-N85 PolarHBondContact O-N 2.88Å; I83-N85 VanDerWaalsContact C-N 3.27Å; I83-N85 PolarHBondContact O-N 3.37Å; N85-R88 PolarHBondContact O-N 3.49Å; N85-N89 PolarHBondContact O-N 3.01Å; N85-N89 PolarHBondContact O-ND2 3.15Å; N85-N89 PolarHBondContact OD1-ND2 3.29Å
86L98.2Very high96.4Very high3 Ų364.5 Ų64.52%0.01633%0.332CS..Hα-helixtrans-63.8-41176.2-68.1174.3000112F25 R28 L29 A32 Y82 I83 N89 L90F25-L86 HydrophobicContact CD1-CD2 3.64Å; F25-L86 HydrophobicContact CE1-CD2 4.22Å; R28-L86 HydrophobicContact CB-CD1 4.11Å; R28-L86 HydrophobicContact CB-CD2 4.02Å; L29-L86 HydrophobicContact CB-CB 4.21Å; L29-L86 HydrophobicContact CB-CD1 4.24Å; L29-L86 HydrophobicContact CD1-CB 4.03Å; L29-L86 HydrophobicContact CD1-CD1 4.41Å; A32-L86 HydrophobicContact CB-CD1 4.05Å; Y82-L86 HydrophobicContact CD1-CD1 3.88Å; Y82-L86 HydrophobicContact CD2-CG 4.45Å; Y82-L86 HydrophobicContact CE1-CD1 3.51Å; Y82-L86 HydrophobicContact CE1-CG 4.24Å; Y82-L86 HydrophobicContact CE2-CD1 4.28Å; Y82-L86 HydrophobicContact CE2-CD2 4.13Å; Y82-L86 HydrophobicContact CE2-CG 4.13Å; Y82-L86 HydrophobicContact CG-CD1 4.43Å; Y82-L86 WeakPolarHBondContact O-CG 3.23Å; Y82-L86 PolarHBondContact O-N 3.12Å; I83-L86 WeakPolarHBondContact O-CB 3.45Å; I83-L86 PolarHBondContact O-N 3.43Å; I83-L86 VanDerWaalsContact O-N 3.1Å; L86-N89 PolarHBondContact O-N 3.24Å; L86-L90 PolarHBondContact O-N 3.33Å
87E97.9Very high96.2Very high70 Ų7064.3 Ų64.333%0.32733%0.331SS..Hα-helixtrans-62.3-45.4176.1-72.9177.5162.500111.1L29 K33 I83 N84 N89 L90 S91L29-E87 HydrophobicContact CD1-CG 3.81Å; L29-E87 HydrophobicContact CD2-CG 3.77Å; L29-E87 HydrophobicContact CG-CG 4.49Å; K33-E87 WeakPolarHBondContact CE-OE1 3.42Å; K33-E87 IonicContact NZ-OE1 3.29Å; K33-E87 PolarHBondContact NZ-OE1 3.3Å; I83-E87 HydrophobicContact CG2-CG 4.43Å; I83-E87 WeakPolarHBondContact O-CG 3.33Å; I83-E87 PolarHBondContact O-N 3.4Å; N84-E87 PolarHBondContact O-N 3.39Å; E87-N89 VanDerWaalsContact C-N 3.33Å; E87-N89 PolarHBondContact O-N 2.99Å; E87-L90 PolarHBondContact O-N 3.44Å; E87-S91 PolarHBondContact O-N 3.42Å; E87-S91 PolarHBondContact O-OG 3.02Å; E87-S91 VanDerWaalsContact O-OG 3.14Å
88R97.6Very high96Very high179 Ų17965 Ų6568%0.67534%0.335SS*.Hα-helixtrans-57.7-44.2172.7-71.5173.6-175.9-176.30.8112.5N84 N85 L90 S91 Q92N84-R88 WeakPolarHBondContact O-CG 3.43Å; N84-R88 PolarHBondContact O-N 2.94Å; N85-R88 PolarHBondContact O-N 3.49Å; R88-L90 VanDerWaalsContact C-N 3.31Å; R88-L90 PolarHBondContact O-N 2.94Å; R88-S91 PolarHBondContact O-N 3.31Å; R88-Q92 WeakPolarHBondContact O-CG 3.35Å; R88-Q92 PolarHBondContact O-N 2.95Å
89N96.6Very high95.7Very high26 Ų2667.5 Ų67.514%0.13934%0.342CS..Hα-helixtrans-63.7-35.2178.1-86.9-80.7000112.7F25 N85 L86 E87 R93F25-N89 HydrophobicContact CD1-CB 3.72Å; F25-N89 HydrophobicContact CD2-CB 4.09Å; F25-N89 HydrophobicContact CE1-CB 3.73Å; F25-N89 HydrophobicContact CE2-CB 4.13Å; F25-N89 HydrophobicContact CG-CB 3.91Å; F25-N89 HydrophobicContact CZ-CB 3.95Å; F25-N89 WeakPolarHBondContact CZ-OD1 3.32Å; N85-N89 PolarHBondContact O-N 3.01Å; N85-N89 PolarHBondContact O-ND2 3.15Å; N85-N89 PolarHBondContact OD1-ND2 3.29Å; L86-N89 PolarHBondContact O-N 3.24Å; E87-N89 VanDerWaalsContact C-N 3.33Å; E87-N89 PolarHBondContact O-N 2.99Å; N89-R93 WeakPolarHBondContact O-CG 3.44Å; N89-R93 PolarHBondContact O-NH1 2.77Å; N89-R93 PolarHBondContact OD1-NH1 3.46Å
90L96.6Very high95.3Very high19 Ų1967.2 Ų67.210%0.09934%0.34CS..Hα-helixtrans-68.7-47173.6-76.6173.4000111.5F22 F25 N26 L29 L86 E87 R88 Q92 R93 G94F22-L90 HydrophobicContact CD1-CD2 4.4Å; F22-L90 HydrophobicContact CD2-CD2 3.69Å; F22-L90 HydrophobicContact CE1-CD2 4.42Å; F22-L90 HydrophobicContact CE2-CB 4.5Å; F22-L90 HydrophobicContact CE2-CD2 3.72Å; F22-L90 HydrophobicContact CG-CD2 4.04Å; F22-L90 HydrophobicContact CZ-CD2 4.1Å; F22-L90 WeakPolarHBondContact O-CD2 3.36Å; F25-L90 HydrophobicContact CB-CD2 3.69Å; F25-L90 HydrophobicContact CB-CG 3.94Å; N26-L90 HydrophobicContact CB-CD2 4.07Å; L29-L90 HydrophobicContact CB-CD1 4.29Å; L29-L90 HydrophobicContact CD2-CD1 3.43Å; L29-L90 VanDerWaalsContact CD2-CD1 3.43Å; L29-L90 HydrophobicContact CG-CD1 4.5Å; L86-L90 PolarHBondContact O-N 3.33Å; E87-L90 PolarHBondContact O-N 3.44Å; R88-L90 VanDerWaalsContact C-N 3.31Å; R88-L90 PolarHBondContact O-N 2.94Å; L90-Q92 VanDerWaalsContact C-N 3.28Å; L90-Q92 PolarHBondContact O-N 2.93Å; L90-R93 CarbonylContact O-C 3.56Å; L90-R93 PolarHBondContact O-N 2.82Å; L90-G94 PolarHBondContact O-N 2.99Å
91S95.5Very high95Very high95 Ų9568.1 Ų68.166%0.66435%0.349SS*.Hα-helixtrans-56.3-42.8178.6-600000112E87 R88 R93 G94E87-S91 PolarHBondContact O-N 3.42Å; E87-S91 PolarHBondContact O-OG 3.02Å; E87-S91 VanDerWaalsContact O-OG 3.14Å; R88-S91 PolarHBondContact O-N 3.31Å; S91-R93 PolarHBondContact O-N 3.09Å; S91-R93 VanDerWaalsContact O-N 3.16Å; S91-G94 PolarHBondContact O-N 3.22Å
92Q95Very high94.8Very high142 Ų14267.4 Ų67.466%0.66435%0.354SS*.Hα-helixtrans-60.9-23.1177.3-74.5174.9-17.400114.3R88 L90R88-Q92 WeakPolarHBondContact O-CG 3.35Å; R88-Q92 PolarHBondContact O-N 2.95Å; L90-Q92 VanDerWaalsContact C-N 3.28Å; L90-Q92 PolarHBondContact O-N 2.93Å
93R93.9Very high94.4Very high38 Ų3869.7 Ų69.714%0.14337%0.367CS..Hα-helixtrans-107.7-6.6-176.9-62.8173.3176.372.91.8112.6V18 E21 F22 N89 L90 S91 S95 T96V18-R93 HydrophobicContact CG1-CB 3.9Å; V18-R93 HydrophobicContact CG1-CG 3.9Å; E21-R93 IonicContact OE2-CZ 2.63Å; E21-R93 VanDerWaalsContact OE2-CZ 3.27Å; E21-R93 IonicContact OE2-NE 2.81Å; E21-R93 PolarHBondContact OE2-NE 3.29Å; E21-R93 IonicContact OE2-NH2 3.27Å; E21-R93 PolarHBondContact OE2-NH2 3.43Å; F22-R93 HydrophobicContact CB-CB 4.35Å; F22-R93 HydrophobicContact CD2-CB 4.05Å; N89-R93 WeakPolarHBondContact O-CG 3.44Å; N89-R93 PolarHBondContact O-NH1 2.77Å; N89-R93 PolarHBondContact OD1-NH1 3.46Å; L90-R93 CarbonylContact O-C 3.56Å; L90-R93 PolarHBondContact O-N 2.82Å; S91-R93 PolarHBondContact O-N 3.09Å; S91-R93 VanDerWaalsContact O-N 3.16Å; R93-S95 VanDerWaalsContact C-N 3.28Å; R93-S95 PolarHBondContact O-N 2.99Å; R93-T96 PolarHBondContact O-N 3.27Å
94G93Very high94Very high15 Ų1570 Ų7016%0.15537%0.369CS..Hα-helixtrans-59.4-38.6-178.300000112.4L90 S91 T96 V97 D98L90-G94 PolarHBondContact O-N 2.99Å; S91-G94 PolarHBondContact O-N 3.22Å; G94-T96 VanDerWaalsContact C-N 3.29Å; G94-T96 PolarHBondContact O-N 3.06Å; G94-V97 CarbonylContact O-C 3.57Å; G94-V97 WeakPolarHBondContact O-CA 3.41Å; G94-V97 WeakPolarHBondContact O-CB 3.42Å; G94-V97 PolarHBondContact O-N 3.35Å; G94-D98 PolarHBondContact O-N 2.56Å
95S91.4Very high93.8Very high67 Ų6770.1 Ų70.147%0.46937%0.367SS..Hα-helixtrans-58.2-37.8178.558.20000113.2R93 V97 D98 N99R93-S95 VanDerWaalsContact C-N 3.28Å; R93-S95 PolarHBondContact O-N 2.99Å; S95-V97 VanDerWaalsContact C-N 3.31Å; S95-V97 PolarHBondContact O-N 3.43Å; S95-D98 PolarHBondContact O-N 3.25Å; S95-N99 WeakPolarHBondContact O-CB 3.41Å; S95-N99 PolarHBondContact O-N 2.93Å; S95-N99 PolarHBondContact O-ND2 2.89Å; S95-N99 PolarHBondContact O-OD1 2.85Å
96T90.9Very high93.6Very high30 Ų3069.1 Ų69.118%0.18437%0.366CS..Hα-helixtrans-67-34.3175.6-530000112A15 V18 L19 R93 G94A15-T96 HydrophobicContact CB-CG2 4.25Å; V18-T96 HydrophobicContact CB-CG2 4.17Å; V18-T96 HydrophobicContact CG1-CG2 3.98Å; V18-T96 WeakPolarHBondContact CG1-OG1 3.22Å; L19-T96 HydrophobicContact CD2-CG2 4.13Å; L19-T96 HydrophobicContact CG-CG2 4.11Å; R93-T96 PolarHBondContact O-N 3.27Å; G94-T96 VanDerWaalsContact C-N 3.29Å; G94-T96 PolarHBondContact O-N 3.06Å
97V92.6Very high93.4Very high4 Ų472.7 Ų72.72%0.02438%0.383CS..Hα-helixtrans-69.8-39.3173.1-179.10000110.5L19 F22 G94 S95 N99 L100 K105 F108 M109L19-V97 HydrophobicContact CD2-CG2 3.77Å; F22-V97 HydrophobicContact CB-CG2 4.42Å; F22-V97 HydrophobicContact CD1-CG2 4Å; F22-V97 HydrophobicContact CD2-CG2 3.75Å; F22-V97 HydrophobicContact CE1-CG2 4.17Å; F22-V97 HydrophobicContact CE2-CG2 3.93Å; F22-V97 HydrophobicContact CG-CG2 3.79Å; F22-V97 HydrophobicContact CZ-CG2 4.14Å; G94-V97 CarbonylContact O-C 3.57Å; G94-V97 WeakPolarHBondContact O-CA 3.41Å; G94-V97 WeakPolarHBondContact O-CB 3.42Å; G94-V97 PolarHBondContact O-N 3.35Å; S95-V97 VanDerWaalsContact C-N 3.31Å; S95-V97 PolarHBondContact O-N 3.43Å; V97-N99 VanDerWaalsContact C-N 3.3Å; V97-N99 PolarHBondContact O-N 3.3Å; V97-L100 VanDerWaalsContact O-CB 3.31Å; V97-L100 WeakPolarHBondContact O-CB 3.42Å; V97-L100 WeakPolarHBondContact O-CG 3.4Å; V97-L100 PolarHBondContact O-N 3.19Å; V97-K105 HydrophobicContact CG1-CG 4.12Å; V97-F108 HydrophobicContact CG1-CD1 4.18Å; V97-F108 HydrophobicContact CG1-CE1 4.43Å; V97-F108 HydrophobicContact CG2-CD1 4.42Å; V97-F108 HydrophobicContact CG2-CE1 3.9Å; V97-M109 HydrophobicContact CG1-CG 4.42Å; V97-M109 HydrophobicContact CG1-SD 3.93Å
98D92.5Very high93.2Very high95 Ų9569.3 Ų69.351%0.50837%0.367SS..Hα-helixtrans-66.9-30.1178.1-67-34.6000113G94 S95 L100 K105G94-D98 PolarHBondContact O-N 2.56Å; S95-D98 PolarHBondContact O-N 3.25Å; D98-L100 PolarHBondContact O-N 3.44Å; D98-K105 IonicContact OD1-NZ 3.94Å; D98-K105 PolarHBondContact OD1-NZ 3.44Å
99N91.4Very high93.1Very high135 Ų13563.3 Ų63.372%0.72235%0.347SS*.THydrogen-bonded Turntrans-74.7-3.4175-68.5-19.2000113.8S95 V97S95-N99 WeakPolarHBondContact O-CB 3.41Å; S95-N99 PolarHBondContact O-N 2.93Å; S95-N99 PolarHBondContact O-ND2 2.89Å; S95-N99 PolarHBondContact O-OD1 2.85Å; V97-N99 VanDerWaalsContact C-N 3.3Å; V97-N99 PolarHBondContact O-N 3.3Å
100L89.9Confident93Very high15 Ų1566.6 Ų66.68%0.07937%0.365CS..SBendtrans-75.8141.5173.5-63.3177000110.8L7 R10 L19 V97 D98 I104 K105 F108L7-L100 HydrophobicContact CD2-CD1 4.44Å; L7-L100 HydrophobicContact CD2-CD2 3.94Å; R10-L100 VanDerWaalsContact NH1-CD2 3.28Å; L19-L100 HydrophobicContact CD1-CD1 4.34Å; L19-L100 HydrophobicContact CD1-CD2 4.06Å; L19-L100 HydrophobicContact CD2-CD1 3.94Å; L19-L100 HydrophobicContact CD2-CG 4.49Å; V97-L100 VanDerWaalsContact O-CB 3.31Å; V97-L100 WeakPolarHBondContact O-CB 3.42Å; V97-L100 WeakPolarHBondContact O-CG 3.4Å; V97-L100 PolarHBondContact O-N 3.19Å; D98-L100 PolarHBondContact O-N 3.44Å; L100-I104 HydrophobicContact CD1-CG2 4.44Å; L100-I104 HydrophobicContact CD2-CG2 4.42Å; L100-K105 HydrophobicContact CB-CB 3.93Å; L100-F108 HydrophobicContact CD1-CB 4.26Å; L100-F108 HydrophobicContact CD1-CD1 4.31Å; L100-F108 HydrophobicContact CD1-CG 4.34Å
101L91.5Very high93Very high114 Ų11469.9 Ų69.960%0.59738%0.376SS*.  trans-48137.9166.2-69.7175.3000110.5Q103 I104 K105L101-Q103 VanDerWaalsContact C-N 3.28Å; L101-Q103 PolarHBondContact O-N 2.92Å; L101-Q103 VanDerWaalsContact O-N 3.09Å; L101-I104 HydrophobicContact CB-CG1 4.38Å; L101-I104 WeakPolarHBondContact O-CA 3.5Å; L101-I104 PolarHBondContact O-N 3.48Å; L101-K105 PolarHBondContact O-N 3.21Å
102P92.5Very high93Very high109 Ų10965.3 Ų65.371%0.70835%0.345SS*.Hα-helixtrans-50-43.1-171.3-31.335.2000114.9K105 S106P102-K105 PolarHBondContact O-N 2.93Å; P102-S106 PolarHBondContact O-N 2.98Å
103Q91Very high93.1Very high142 Ų14262.6 Ų62.666%0.66434%0.335SS*.Hα-helixtrans-63.4-43.4178.1-171.6-178.81200112.4L101 S106 Q107L101-Q103 VanDerWaalsContact C-N 3.28Å; L101-Q103 PolarHBondContact O-N 2.92Å; L101-Q103 VanDerWaalsContact O-N 3.09Å; Q103-S106 PolarHBondContact O-N 3.03Å; Q103-Q107 WeakPolarHBondContact O-CG 3.42Å; Q103-Q107 PolarHBondContact O-N 3.48Å; Q103-Q107 VanDerWaalsContact O-N 3.11Å
104I90.1Very high93.3Very high19 Ų1966.6 Ų66.610%0.09736%0.357CS..Hα-helixtrans-71.3-38.2178.9-58.2-48.5000110.6I3 I6 L7 R10 L100 L101 Q107 F108I3-I104 HydrophobicContact CD1-CG2 4.03Å; I6-I104 HydrophobicContact CG2-CD1 3.82Å; L7-I104 HydrophobicContact CD2-CG2 3.78Å; R10-I104 VanDerWaalsContact NH2-CG1 3.35Å; L100-I104 HydrophobicContact CD1-CG2 4.44Å; L100-I104 HydrophobicContact CD2-CG2 4.42Å; L101-I104 HydrophobicContact CB-CG1 4.38Å; L101-I104 WeakPolarHBondContact O-CA 3.5Å; L101-I104 PolarHBondContact O-N 3.48Å; I104-Q107 PolarHBondContact O-N 3.31Å; I104-F108 VanDerWaalsContact O-CB 3.25Å; I104-F108 WeakPolarHBondContact O-CB 3.35Å; I104-F108 PolarHBondContact O-N 3.15Å
105K93.4Very high93.5Very high70 Ų7067.2 Ų67.230%0.30436%0.357SS..Hα-helixtrans-57-49.7173.1-176.3174.7169.6174.40110.8V97 D98 L100 L101 P102 F108 M109V97-K105 HydrophobicContact CG1-CG 4.12Å; D98-K105 IonicContact OD1-NZ 3.94Å; D98-K105 PolarHBondContact OD1-NZ 3.44Å; L100-K105 HydrophobicContact CB-CB 3.93Å; L101-K105 PolarHBondContact O-N 3.21Å; P102-K105 PolarHBondContact O-N 2.93Å; K105-F108 PolarHBondContact O-N 2.9Å; K105-M109 WeakPolarHBondContact O-CB 3.42Å; K105-M109 WeakPolarHBondContact O-CG 3.44Å; K105-M109 PolarHBondContact O-N 2.96Å
106S94Very high93.8Very high65 Ų6564.2 Ų64.246%0.45534%0.336SS..Hα-helixtrans-57.9-53.3177.7-166.90000111.4P102 Q103 F108 M109 D110P102-S106 PolarHBondContact O-N 2.98Å; Q103-S106 PolarHBondContact O-N 3.03Å; S106-F108 VanDerWaalsContact C-N 3.28Å; S106-F108 PolarHBondContact O-N 3.33Å; S106-M109 PolarHBondContact O-N 3.14Å; S106-M109 VanDerWaalsContact O-N 3.13Å; S106-D110 VanDerWaalsContact O-CG 3.27Å; S106-D110 PolarHBondContact O-N 3.2Å
107Q93.1Very high94.1Very high77 Ų7769 Ų6936%0.3636%0.355SS..Hα-helixtrans-59-38.7179.6-71.5176.6-9.700112.8I3 Q103 I104 Y111I3-Q107 HydrophobicContact CD1-CB 3.86Å; Q103-Q107 WeakPolarHBondContact O-CG 3.42Å; Q103-Q107 PolarHBondContact O-N 3.48Å; Q103-Q107 VanDerWaalsContact O-N 3.11Å; I104-Q107 PolarHBondContact O-N 3.31Å; Q107-Y111 WeakPolarHBondContact O-CB 3.49Å; Q107-Y111 PolarHBondContact O-N 3.35Å; Q107-Y111 VanDerWaalsContact O-N 3.07Å
108F94Very high94.4Very high0 Ų072.3 Ų72.30%038%0.378CS..Hα-helixtrans-67.6-41.9176.9178.3-102.7000112.4I3 L7 L19 F22 V97 L100 I104 K105 S106 Y111 T112I3-F108 HydrophobicContact CD1-CB 4.34Å; I3-F108 HydrophobicContact CG1-CB 4.08Å; I3-F108 HydrophobicContact CG1-CD2 4.24Å; L7-F108 HydrophobicContact CD1-CD2 3.62Å; L7-F108 HydrophobicContact CD1-CE2 3.99Å; L7-F108 HydrophobicContact CD1-CG 4.49Å; L19-F108 HydrophobicContact CB-CE2 4.1Å; L19-F108 HydrophobicContact CB-CZ 3.96Å; L19-F108 HydrophobicContact CD2-CD1 4.42Å; L19-F108 HydrophobicContact CD2-CE1 3.97Å; L19-F108 HydrophobicContact CD2-CZ 4.07Å; L19-F108 WeakPolarHBondContact O-CZ 3.05Å; F22-F108 AromaticContact CD1-CE1 3.72Å; F22-F108 HydrophobicContact CD1-CE1 3.72Å; F22-F108 HydrophobicContact CD1-CZ 4.12Å; F22-F108 HydrophobicContact CE1-CE1 4.21Å; F22-F108 HydrophobicContact CG-CE1 4.47Å; V97-F108 HydrophobicContact CG1-CD1 4.18Å; V97-F108 HydrophobicContact CG1-CE1 4.43Å; V97-F108 HydrophobicContact CG2-CD1 4.42Å; V97-F108 HydrophobicContact CG2-CE1 3.9Å; L100-F108 HydrophobicContact CD1-CB 4.26Å; L100-F108 HydrophobicContact CD1-CD1 4.31Å; L100-F108 HydrophobicContact CD1-CG 4.34Å; I104-F108 VanDerWaalsContact O-CB 3.25Å; I104-F108 WeakPolarHBondContact O-CB 3.35Å; I104-F108 PolarHBondContact O-N 3.15Å; K105-F108 PolarHBondContact O-N 2.9Å; S106-F108 VanDerWaalsContact C-N 3.28Å; S106-F108 PolarHBondContact O-N 3.33Å; F108-Y111 PolarHBondContact O-N 2.72Å; F108-T112 VanDerWaalsContact O-CB 3.28Å; F108-T112 WeakPolarHBondContact O-CB 3.38Å; F108-T112 PolarHBondContact O-N 3.2Å; F108-T112 PolarHBondContact O-OG1 3.24Å
109M95.7Very high94.7Very high53 Ų5372.4 Ų72.426%0.26137%0.371SS..Hα-helixtrans-67-40.9176.4-70.7-56.9-64.600111.8F22 V97 K105 S106 Y111 T112 N113F22-M109 HydrophobicContact CE1-CE 4.43Å; F22-M109 HydrophobicContact CE1-SD 3.9Å; F22-M109 HydrophobicContact CZ-CE 4.48Å; F22-M109 HydrophobicContact CZ-SD 4.22Å; V97-M109 HydrophobicContact CG1-CG 4.42Å; V97-M109 HydrophobicContact CG1-SD 3.93Å; K105-M109 WeakPolarHBondContact O-CB 3.42Å; K105-M109 WeakPolarHBondContact O-CG 3.44Å; K105-M109 PolarHBondContact O-N 2.96Å; S106-M109 PolarHBondContact O-N 3.14Å; S106-M109 VanDerWaalsContact O-N 3.13Å; M109-Y111 PolarHBondContact O-N 3.31Å; M109-T112 PolarHBondContact O-N 3.24Å; M109-N113 WeakPolarHBondContact O-CB 3.17Å; M109-N113 VanDerWaalsContact O-CG 3.26Å; M109-N113 PolarHBondContact O-N 3.5Å; M109-N113 PolarHBondContact O-ND2 3.46Å
110D95.9Very high95Very high95 Ų9567 Ų6751%0.50834%0.344SS..Hα-helixtrans-60-46.6175.3-68.1-28000111.5S106 T112 N113 M114S106-D110 VanDerWaalsContact O-CG 3.27Å; S106-D110 PolarHBondContact O-N 3.2Å; D110-T112 VanDerWaalsContact C-N 3.34Å; D110-T112 PolarHBondContact O-N 2.82Å; D110-N113 PolarHBondContact O-N 3.41Å; D110-M114 WeakPolarHBondContact O-CB 3.35Å; D110-M114 PolarHBondContact O-N 2.9Å
111Y95.7Very high95.4Very high87 Ų8771.3 Ų71.334%0.34136%0.364SS..Hα-helixtrans-61.5-43.6174.8-178-96.2000111.9I3 F4 L23 Q107 F108 M109 N113 M114 V115I3-Y111 HydrophobicContact CG2-CD1 3.96Å; I3-Y111 HydrophobicContact CG2-CD2 4.15Å; I3-Y111 HydrophobicContact CG2-CG 3.73Å; F4-Y111 HydrophobicContact CD2-CE1 4.06Å; F4-Y111 AromaticContact CE2-CD1 3.88Å; F4-Y111 HydrophobicContact CE2-CD1 3.88Å; F4-Y111 AromaticContact CE2-CE1 3.45Å; F4-Y111 HydrophobicContact CE2-CE1 3.45Å; F4-Y111 VanDerWaalsContact CE2-CE1 3.45Å; L23-Y111 HydrophobicContact CD1-CD1 4.19Å; L23-Y111 HydrophobicContact CD1-CE1 4.19Å; L23-Y111 HydrophobicContact CD2-CD1 4.48Å; L23-Y111 HydrophobicContact CD2-CE1 3.88Å; Q107-Y111 WeakPolarHBondContact O-CB 3.49Å; Q107-Y111 PolarHBondContact O-N 3.35Å; Q107-Y111 VanDerWaalsContact O-N 3.07Å; F108-Y111 PolarHBondContact O-N 2.72Å; M109-Y111 PolarHBondContact O-N 3.31Å; Y111-N113 VanDerWaalsContact C-N 3.34Å; Y111-N113 PolarHBondContact O-N 2.9Å; Y111-M114 WeakPolarHBondContact O-CB 3.34Å; Y111-M114 PolarHBondContact O-N 3.02Å; Y111-V115 HydrophobicContact CD1-CG2 4.15Å; Y111-V115 HydrophobicContact CE1-CG2 3.61Å; Y111-V115 HydrophobicContact CE2-CG2 4.2Å; Y111-V115 WeakPolarHBondContact O-CG2 3.38Å; Y111-V115 PolarHBondContact O-N 2.96Å
112T96Very high95.7Very high0 Ų074 Ų740%037%0.371CS..Hα-helixtrans-62.6-40.8179.7-64.60000112F22 L23 N26 F108 M109 D110 A116F22-T112 HydrophobicContact CD1-CG2 4.33Å; F22-T112 HydrophobicContact CE1-CG2 4.11Å; L23-T112 HydrophobicContact CD1-CG2 4.02Å; N26-T112 HydrophobicContact CB-CG2 3.62Å; N26-T112 WeakPolarHBondContact ND2-CG2 3.34Å; F108-T112 VanDerWaalsContact O-CB 3.28Å; F108-T112 WeakPolarHBondContact O-CB 3.38Å; F108-T112 PolarHBondContact O-N 3.2Å; F108-T112 PolarHBondContact O-OG1 3.24Å; M109-T112 PolarHBondContact O-N 3.24Å; D110-T112 VanDerWaalsContact C-N 3.34Å; D110-T112 PolarHBondContact O-N 2.82Å; T112-A116 VanDerWaalsContact O-CB 3.31Å; T112-A116 WeakPolarHBondContact O-CB 3.38Å; T112-A116 PolarHBondContact O-N 3.44Å
113N97Very high96Very high85 Ų8570.4 Ų70.446%0.45535%0.345SS..Hα-helixtrans-68.3-41.4175-71.6-25.5000112M109 D110 Y111 A116 K117M109-N113 WeakPolarHBondContact O-CB 3.17Å; M109-N113 VanDerWaalsContact O-CG 3.26Å; M109-N113 PolarHBondContact O-N 3.5Å; M109-N113 PolarHBondContact O-ND2 3.46Å; D110-N113 PolarHBondContact O-N 3.41Å; Y111-N113 VanDerWaalsContact C-N 3.34Å; Y111-N113 PolarHBondContact O-N 2.9Å; N113-A116 PolarHBondContact O-N 3.5Å; N113-K117 VanDerWaalsContact O-CB 3.31Å; N113-K117 WeakPolarHBondContact O-CB 3.46Å; N113-K117 PolarHBondContact O-N 2.92Å
114M97.3Very high96.3Very high122 Ų12269.6 Ų69.660%0.60134%0.34SS*.Hα-helixtrans-59.7-47.6176.2-174.1-164.4-52.400111.8D110 Y111 K117 S118D110-M114 WeakPolarHBondContact O-CB 3.35Å; D110-M114 PolarHBondContact O-N 2.9Å; Y111-M114 WeakPolarHBondContact O-CB 3.34Å; Y111-M114 PolarHBondContact O-N 3.02Å; M114-K117 PolarHBondContact O-N 3.11Å; M114-S118 WeakPolarHBondContact O-CB 3.43Å; M114-S118 PolarHBondContact O-N 3.47Å
115V97Very high96.6Very high28 Ų2875.4 Ų75.417%0.1736%0.364CS..Hα-helixtrans-62.8-46.1177.1171.60000111L23 A27 Y111 K117 S118 R119L23-V115 HydrophobicContact CD1-CB 4.08Å; L23-V115 HydrophobicContact CD1-CG1 4.24Å; L23-V115 HydrophobicContact CD1-CG2 4.27Å; A27-V115 HydrophobicContact CB-CG1 4.33Å; Y111-V115 HydrophobicContact CD1-CG2 4.15Å; Y111-V115 HydrophobicContact CE1-CG2 3.61Å; Y111-V115 HydrophobicContact CE2-CG2 4.2Å; Y111-V115 WeakPolarHBondContact O-CG2 3.38Å; Y111-V115 PolarHBondContact O-N 2.96Å; V115-K117 PolarHBondContact O-N 2.97Å; V115-S118 PolarHBondContact O-N 3.49Å; V115-R119 WeakPolarHBondContact O-CG 3.44Å; V115-R119 PolarHBondContact O-N 3.01Å
116A98.1Very high96.8Very high3 Ų379.1 Ų79.13%0.02538%0.38CS..Hα-helixtrans-60.4-44.8178.800000112.4T30 T112 N113 R119 S120T30-A116 HydrophobicContact CG2-CB 4.35Å; T30-A116 WeakPolarHBondContact OG1-CB 3.38Å; T112-A116 VanDerWaalsContact O-CB 3.31Å; T112-A116 WeakPolarHBondContact O-CB 3.38Å; T112-A116 PolarHBondContact O-N 3.44Å; N113-A116 PolarHBondContact O-N 3.5Å; A116-R119 PolarHBondContact O-N 3.2Å; A116-S120 WeakPolarHBondContact O-CB 3.43Å; A116-S120 PolarHBondContact O-N 2.63Å
117K98.1Very high97Very high132 Ų13277.5 Ų77.557%0.57437%0.366SS*.Hα-helixtrans-61.3-49.6176.2-177.7176176.41800111.8N113 M114 V115 R119 S120 E121N113-K117 VanDerWaalsContact O-CB 3.31Å; N113-K117 WeakPolarHBondContact O-CB 3.46Å; N113-K117 PolarHBondContact O-N 2.92Å; M114-K117 PolarHBondContact O-N 3.11Å; V115-K117 PolarHBondContact O-N 2.97Å; K117-R119 VanDerWaalsContact C-N 3.3Å; K117-R119 PolarHBondContact O-N 3.06Å; K117-S120 WeakPolarHBondContact O-CB 3.46Å; K117-S120 PolarHBondContact O-N 2.88Å; K117-E121 WeakPolarHBondContact CE-OE1 3.24Å; K117-E121 WeakPolarHBondContact CG-OE1 3.38Å; K117-E121 WeakPolarHBondContact O-CG 3.34Å; K117-E121 PolarHBondContact O-N 3.16Å
118S98Very high97.1Very high73 Ų7378.3 Ų78.351%0.5137%0.372SS..Hα-helixtrans-58.2-41.7178.4179.30000112.3M114 V115 K122M114-S118 WeakPolarHBondContact O-CB 3.43Å; M114-S118 PolarHBondContact O-N 3.47Å; V115-S118 PolarHBondContact O-N 3.49Å; S118-K122 WeakPolarHBondContact O-CB 3.22Å; S118-K122 PolarHBondContact O-N 3.17Å; S118-K122 VanDerWaalsContact O-N 3.09Å
119R98.1Very high97.2Very high96 Ų9684.9 Ų84.936%0.36240%0.403SS..Hα-helixtrans-66.7-43.8175.8-72.8-158.8-170.3173.5-3.7112.7E31 V115 A116 K117 E121 K122 L123E31-R119 HydrophobicContact CG-CB 4.04Å; E31-R119 WeakPolarHBondContact OE1-CD 3.29Å; V115-R119 WeakPolarHBondContact O-CG 3.44Å; V115-R119 PolarHBondContact O-N 3.01Å; A116-R119 PolarHBondContact O-N 3.2Å; K117-R119 VanDerWaalsContact C-N 3.3Å; K117-R119 PolarHBondContact O-N 3.06Å; R119-E121 PolarHBondContact O-N 3.33Å; R119-K122 PolarHBondContact O-N 2.95Å; R119-L123 VanDerWaalsContact O-CB 3.31Å; R119-L123 WeakPolarHBondContact O-CB 3.49Å; R119-L123 PolarHBondContact O-N 3.23Å
120S98.1Very high97.2Very high22 Ų2283.9 Ų83.915%0.15440%0.401CS..Hα-helixtrans-57.7-46.8175.9175.50000112T34 A116 K117 L123 K124T34-S120 PolarHBondContact OG1-OG 2.92Å; A116-S120 WeakPolarHBondContact O-CB 3.43Å; A116-S120 PolarHBondContact O-N 2.63Å; K117-S120 WeakPolarHBondContact O-CB 3.46Å; K117-S120 PolarHBondContact O-N 2.88Å; S120-L123 PolarHBondContact O-N 3.49Å; S120-K124 WeakPolarHBondContact O-CB 3.39Å; S120-K124 PolarHBondContact O-N 3.16Å
121E98.2Very high97.2Very high106 Ų10681.5 Ų81.550%0.49539%0.388SS..Hα-helixtrans-62.9-45.8178.2-71.4170.3177.900112.1K117 R119 L123 K124 K125K117-E121 WeakPolarHBondContact CE-OE1 3.24Å; K117-E121 WeakPolarHBondContact CG-OE1 3.38Å; K117-E121 WeakPolarHBondContact O-CG 3.34Å; K117-E121 PolarHBondContact O-N 3.16Å; R119-E121 PolarHBondContact O-N 3.33Å; E121-L123 VanDerWaalsContact C-N 3.32Å; E121-L123 PolarHBondContact O-N 3.44Å; E121-K124 PolarHBondContact O-N 3.38Å; E121-K125 PolarHBondContact O-N 3.11Å
122K98.2Very high97Very high170 Ų17079 Ų7974%0.73938%0.379SS*.Hα-helixtrans-60.5-42.8176.2-174.2176.3-177.7175.70111.5S118 R119 K126S118-K122 WeakPolarHBondContact O-CB 3.22Å; S118-K122 PolarHBondContact O-N 3.17Å; S118-K122 VanDerWaalsContact O-N 3.09Å; R119-K122 PolarHBondContact O-N 2.95Å; K122-K126 PolarHBondContact O-N 3.03Å
123L98.3Very high96.7Very high34 Ų3486.2 Ų86.218%0.17841%0.413CS..Hα-helixtrans-65.8-47.1177.517960.3000111.3E31 R119 S120 E121 K125 K126 L127E31-L123 HydrophobicContact CB-CD2 3.69Å; E31-L123 HydrophobicContact CG-CD2 3.94Å; E31-L123 WeakPolarHBondContact O-CD2 3.5Å; R119-L123 VanDerWaalsContact O-CB 3.31Å; R119-L123 WeakPolarHBondContact O-CB 3.49Å; R119-L123 PolarHBondContact O-N 3.23Å; S120-L123 PolarHBondContact O-N 3.49Å; E121-L123 VanDerWaalsContact C-N 3.32Å; E121-L123 PolarHBondContact O-N 3.44Å; L123-K125 VanDerWaalsContact C-N 3.31Å; L123-K125 PolarHBondContact O-N 3.26Å; L123-K126 WeakPolarHBondContact O-CB 3.48Å; L123-K126 PolarHBondContact O-N 2.71Å; L123-L127 HydrophobicContact CD1-CD1 4.13Å; L123-L127 HydrophobicContact CD1-CD2 4.43Å; L123-L127 HydrophobicContact CD1-CG 4Å; L123-L127 HydrophobicContact CD2-CD1 4.45Å; L123-L127 HydrophobicContact CG-CD1 3.84Å; L123-L127 HydrophobicContact CG-CG 4.18Å; L123-L127 WeakPolarHBondContact O-CG 3.26Å; L123-L127 PolarHBondContact O-N 3.03Å
124K97.6Very high95.9Very high125 Ų12587.7 Ų87.754%0.54342%0.421SS..Hα-helixtrans-55.4-46.1177.9-174.8174.9-177.3173.90111.4T34 S120 E121 K126 L127 I128T34-K124 HydrophobicContact CG2-CB 4.21Å; S120-K124 WeakPolarHBondContact O-CB 3.39Å; S120-K124 PolarHBondContact O-N 3.16Å; E121-K124 PolarHBondContact O-N 3.38Å; K124-K126 PolarHBondContact O-N 3.39Å; K124-L127 PolarHBondContact O-N 3.27Å; K124-I128 HydrophobicContact CG-CD1 3.94Å; K124-I128 WeakPolarHBondContact O-CG1 3.33Å; K124-I128 PolarHBondContact O-N 3.45Å
125K97.8Very high95.3Very high141 Ų14188.8 Ų88.861%0.61342%0.422SS*.Hα-helixtrans-57.2-47.1175-174.2176.7-178.61770111.7E121 L123 Q129E121-K125 PolarHBondContact O-N 3.11Å; L123-K125 VanDerWaalsContact C-N 3.31Å; L123-K125 PolarHBondContact O-N 3.26Å; K125-Q129 WeakPolarHBondContact O-CB 3.43Å; K125-Q129 VanDerWaalsContact O-CG 3.26Å; K125-Q129 WeakPolarHBondContact O-CG 3.36Å; K125-Q129 PolarHBondContact O-N 3.36Å; K125-Q129 VanDerWaalsContact O-N 3.11Å
126K97.8Very high94.7Very high148 Ų14887.9 Ų87.964%0.64342%0.417SS*.Hα-helixtrans-62.8-41.5177.9-175.6-178.3178.1-177.70112.4K122 L123 K124 Q129 S130K122-K126 PolarHBondContact O-N 3.03Å; L123-K126 WeakPolarHBondContact O-CB 3.48Å; L123-K126 PolarHBondContact O-N 2.71Å; K124-K126 PolarHBondContact O-N 3.39Å; K126-Q129 PolarHBondContact O-N 2.91Å; K126-S130 PolarHBondContact O-N 3.4Å; K126-S130 VanDerWaalsContact O-N 3.16Å
127L97.5Very high94Very high30 Ų3092.1 Ų92.116%0.15744%0.436CS..Hα-helixtrans-65.9-45.4-180-71.2173.7000111.5F38 L123 K124 Q129 S130F38-L127 HydrophobicContact CB-CD1 3.88Å; F38-L127 HydrophobicContact CD1-CB 4.02Å; F38-L127 HydrophobicContact CD1-CD1 3.95Å; F38-L127 HydrophobicContact CD1-CD2 3.97Å; F38-L127 HydrophobicContact CD1-CG 4.2Å; F38-L127 HydrophobicContact CD2-CB 3.78Å; F38-L127 HydrophobicContact CD2-CD1 4.45Å; F38-L127 HydrophobicContact CE1-CB 3.99Å; F38-L127 HydrophobicContact CE1-CD2 3.97Å; F38-L127 HydrophobicContact CE1-CG 4.41Å; F38-L127 HydrophobicContact CE2-CB 3.76Å; F38-L127 HydrophobicContact CG-CB 3.91Å; F38-L127 HydrophobicContact CG-CD1 3.83Å; F38-L127 HydrophobicContact CG-CG 4.32Å; F38-L127 HydrophobicContact CZ-CB 3.86Å; F38-L127 WeakPolarHBondContact CZ-O 3.47Å; L123-L127 HydrophobicContact CD1-CD1 4.13Å; L123-L127 HydrophobicContact CD1-CD2 4.43Å; L123-L127 HydrophobicContact CD1-CG 4Å; L123-L127 HydrophobicContact CD2-CD1 4.45Å; L123-L127 HydrophobicContact CG-CD1 3.84Å; L123-L127 HydrophobicContact CG-CG 4.18Å; L123-L127 WeakPolarHBondContact O-CG 3.26Å; L123-L127 PolarHBondContact O-N 3.03Å; K124-L127 PolarHBondContact O-N 3.27Å; L127-Q129 PolarHBondContact O-N 3.09Å; L127-S130 WeakPolarHBondContact O-CB 3.38Å; L127-S130 PolarHBondContact O-N 3.02Å; L127-S130 PolarHBondContact O-OG 2.97Å
128I95.5Very high93Very high94 Ų9496.2 Ų96.248%0.48245%0.448SS..Hα-helixtrans-60.9-44.8176.6-67.4167.2000111K124 S130 L131K124-I128 HydrophobicContact CG-CD1 3.94Å; K124-I128 WeakPolarHBondContact O-CG1 3.33Å; K124-I128 PolarHBondContact O-N 3.45Å; I128-S130 PolarHBondContact O-N 3.09Å; I128-S130 VanDerWaalsContact O-N 3.16Å; I128-L131 WeakPolarHBondContact O-CB 3.37Å; I128-L131 WeakPolarHBondContact O-CG 3.48Å; I128-L131 PolarHBondContact O-N 3.05Å
129Q96Very high91.7Very high138 Ų138100.3 Ų100.365%0.64546%0.457SS*.Hα-helixtrans-63.4-18.9176.2-72174.8-13.600113.6K125 K126 L127K125-Q129 WeakPolarHBondContact O-CB 3.43Å; K125-Q129 VanDerWaalsContact O-CG 3.26Å; K125-Q129 WeakPolarHBondContact O-CG 3.36Å; K125-Q129 PolarHBondContact O-N 3.36Å; K125-Q129 VanDerWaalsContact O-N 3.11Å; K126-Q129 PolarHBondContact O-N 2.91Å; L127-Q129 PolarHBondContact O-N 3.09Å
130S96Very high90Very high33 Ų33101.4 Ų101.423%0.23146%0.464CS..THydrogen-bonded Turntrans-86.3-7.8-179.480.40000114.3P49 K50 K126 L127 I128P49-S130 CarbonylContact C-O 3.52Å; P49-S130 VanDerWaalsContact CA-O 3.24Å; P49-S130 WeakPolarHBondContact CA-O 3.34Å; K50-S130 WeakPolarHBondContact CG-O 3.38Å; K50-S130 PolarHBondContact N-O 3.49Å; K126-S130 PolarHBondContact O-N 3.4Å; K126-S130 VanDerWaalsContact O-N 3.16Å; L127-S130 WeakPolarHBondContact O-CB 3.38Å; L127-S130 PolarHBondContact O-N 3.02Å; L127-S130 PolarHBondContact O-OG 2.97Å; I128-S130 PolarHBondContact O-N 3.09Å; I128-S130 VanDerWaalsContact O-N 3.16Å
131L96Very high88.3Confident44 Ų44101.6 Ų101.623%0.2347%0.465CS..BIsolated β-bridgetrans-61.4140.3179.3-70.3174.2000111.2F38 R47 K50 I128F38-L131 HydrophobicContact CE2-CD2 4.06Å; F38-L131 HydrophobicContact CE2-CG 4.26Å; F38-L131 HydrophobicContact CZ-CD2 3.73Å; F38-L131 HydrophobicContact CZ-CG 4.2Å; R47-L131 HydrophobicContact CB-CD2 4.49Å; K50-L131 WeakPolarHBondContact CE-O 3.48Å; I128-L131 WeakPolarHBondContact O-CB 3.37Å; I128-L131 WeakPolarHBondContact O-CG 3.48Å; I128-L131 PolarHBondContact O-N 3.05Å
132E91.4Very high86.3Confident34 Ų34105 Ų10516%0.15948%0.483CS..  trans-73.7142.5169.7-169.758.3-83.600110.1Y48 K50 W53 D134Y48-E132 WeakPolarHBondContact O-CB 3.45Å; Y48-E132 PolarHBondContact O-N 2.89Å; K50-E132 VanDerWaalsContact CE-OE1 3.29Å; K50-E132 WeakPolarHBondContact CE-OE1 3.21Å; K50-E132 HydrophobicContact CG-CB 4.09Å; K50-E132 WeakPolarHBondContact CG-OE2 3.29Å; W53-E132 HydrophobicContact CD2-CG 4.34Å; W53-E132 HydrophobicContact CZ2-CB 4.23Å; W53-E132 HydrophobicContact CZ2-CG 4.06Å; W53-E132 VanDerWaalsContact NE1-CB 3.28Å; E132-D134 HydrophobicContact CG-CB 4.23Å
133H88Confident84.5Confident153 Ų153100.1 Ų100.171%0.70847%0.465SS*.SBendtrans-74.5-36.6178.8-63.8-72.9000111.2
134D82.2Confident82.6Confident116 Ų116102.3 Ų102.362%0.6248%0.481SS*.SBendtrans-72.9138.6179.6-63.4-25.9000111.2W53 E132W53-D134 WeakPolarHBondContact CZ2-O 3.41Å; E132-D134 HydrophobicContact CG-CB 4.23Å
135K82.8Confident80.7Confident145 Ų145103.2 Ų103.263%0.6349%0.488SS*.PPolyproline II helixtrans-82.3143.6169.3-71.4-174.4-178.5177.10109.7
136P84.2Confident78.6Confident8 Ų8105.3 Ų105.35%0.05249%0.492CS..PPolyproline II helixtrans-68.9141.5177.430.9-35.3000111.5D46 Y48 W53 L68 R138D46-P136 VanDerWaalsContact O-CD 3.22Å; D46-P136 WeakPolarHBondContact O-CD 3.36Å; Y48-P136 HydrophobicContact CD2-CG 4.34Å; Y48-P136 HydrophobicContact CE2-CG 4.23Å; W53-P136 VanDerWaalsContact CH2-CA 3.5Å; W53-P136 HydrophobicContact CH2-CB 3.77Å; W53-P136 HydrophobicContact CZ2-CB 4.16Å; W53-P136 HydrophobicContact CZ3-CB 4.49Å; L68-P136 HydrophobicContact CD1-CB 3.48Å; L68-P136 VanDerWaalsContact CD1-CB 3.48Å; L68-P136 HydrophobicContact CD1-CG 4.09Å; P136-R138 PolarHBondContact O-N 2.99Å
137E83.6Confident76.5Confident93 Ų93100.4 Ų100.444%0.43547%0.472SS..PPolyproline II helixtrans-64.4135.1172-66.2177.6176.600109.5Y62 N64 S65Y62-E137 VanDerWaalsContact OH-CD 3.27Å; Y62-E137 PolarHBondContact OH-OE2 3.46Å; N64-E137 WeakPolarHBondContact CB-O 3.35Å; S65-E137 PolarHBondContact N-O 3.47Å
138R78.4Confident74.3Confident218 Ų218104.8 Ų104.882%0.82349%0.492SS*.SBendtrans-81.9-30.9177.5-67.6-174.8178.7179-0.1112.4P136P136-R138 PolarHBondContact O-N 2.99Å
139K69.7Low72.1Confident158 Ų158106 Ų10669%0.68750%0.498SS*.SBendtrans-101.1146.2178.5-63.4-175.7-179.2-178.10108.7
140F62.8Low69.9Low120 Ų120108.2 Ų108.253%0.52650%0.501SS..PPolyproline II helixtrans-62.1142.3164.4-157.7-99.3000107.8Y62 M142 L147Y62-F140 HydrophobicContact CD1-CD2 4.39Å; Y62-F140 HydrophobicContact CD1-CE2 4.36Å; Y62-F140 HydrophobicContact CG-CE2 4.39Å; F140-M142 PolarHBondContact O-N 2.59Å; F140-L147 HydrophobicContact CE1-CD1 3.55Å; F140-L147 HydrophobicContact CZ-CD1 3.92Å
141P62.1Low67.8Low26 Ų26112.7 Ų112.717%0.16952%0.516CS..PPolyproline II helixtrans-54.9117.4173.520-30.3000108.1Y62 D143 L147Y62-P141 HydrophobicContact CE1-CG 4.25Å; Y62-P141 HydrophobicContact CE2-CG 4.37Å; P141-D143 PolarHBondContact O-N 3.19Å; P141-L147 HydrophobicContact CG-CD1 4.25Å; P141-L147 HydrophobicContact CG-CD2 4.19Å; P141-L147 HydrophobicContact CG-CG 4.23Å
142M56.8Low65.5Low176 Ų176119.3 Ų119.387%0.86754%0.538SS*.SBendtrans-69.4-10.8-176.8-126.8-164.2-86.400112.1F140 P144F140-M142 PolarHBondContact O-N 2.59Å; M142-P144 VanDerWaalsContact O-CD 3.28Å; M142-P144 WeakPolarHBondContact O-CD 3.5Å
143D60.6Low63.6Low68 Ų68122.3 Ų122.336%0.36455%0.554SS.*  trans-101.4103.7-179.6179.57.7000110.5P141 E145 R146P141-D143 PolarHBondContact O-N 3.19Å; D143-E145 PolarHBondContact O-N 3.46Å; D143-E145 WeakPolarHBondContact OD1-CA 3.5Å; D143-E145 VanDerWaalsContact OD1-CB 3.31Å; D143-E145 WeakPolarHBondContact OD1-CB 3.24Å; D143-E145 PolarHBondContact OD1-N 2.87Å; D143-R146 HydrophobicContact CB-CB 4.31Å; D143-R146 PolarHBondContact O-N 3.17Å
144P58.4Low61.8Low81 Ų81122.7 Ų122.753%0.52655%0.554SS.*Hα-helixtrans-64.4-23.4174.523-28.8000112.9M142 L147 H148M142-P144 VanDerWaalsContact O-CD 3.28Å; M142-P144 WeakPolarHBondContact O-CD 3.5Å; P144-L147 PolarHBondContact O-N 3.12Å; P144-H148 PolarHBondContact O-N 2.8Å; P144-H148 PolarHBondContact O-ND1 3.32Å
145E58.1Low60.4Low144 Ų144124.3 Ų124.367%0.67356%0.558SS**Hα-helixtrans-70.5-33.8179-61.7-168.6162.900112D143 L147 H148 L149D143-E145 PolarHBondContact O-N 3.46Å; D143-E145 WeakPolarHBondContact OD1-CA 3.5Å; D143-E145 VanDerWaalsContact OD1-CB 3.31Å; D143-E145 WeakPolarHBondContact OD1-CB 3.24Å; D143-E145 PolarHBondContact OD1-N 2.87Å; E145-L147 PolarHBondContact O-N 3.38Å; E145-H148 WeakPolarHBondContact O-CB 3.28Å; E145-H148 PolarHBondContact O-N 3.39Å; E145-H148 VanDerWaalsContact O-N 3.1Å; E145-L149 PolarHBondContact O-N 3.1Å
146R53.8Low58.8Low185 Ų185122.5 Ų122.570%0.69856%0.562SS**Hα-helixtrans-62.2-29.9173.1-115.7-178.9179.3-164.12.2113.5D143D143-R146 HydrophobicContact CB-CB 4.31Å; D143-R146 PolarHBondContact O-N 3.17Å
147L52.5Low57.3Low44 Ų44129.6 Ų129.623%0.2360%0.597CS.*Hα-helixtrans-71.7-43.2173.2-71.4164.1000110.4Y62 F140 P141 P144 E145 L149 R150 F151Y62-L147 HydrophobicContact CD2-CD2 4.33Å; F140-L147 HydrophobicContact CE1-CD1 3.55Å; F140-L147 HydrophobicContact CZ-CD1 3.92Å; P141-L147 HydrophobicContact CG-CD1 4.25Å; P141-L147 HydrophobicContact CG-CD2 4.19Å; P141-L147 HydrophobicContact CG-CG 4.23Å; P144-L147 PolarHBondContact O-N 3.12Å; E145-L147 PolarHBondContact O-N 3.38Å; L147-L149 VanDerWaalsContact C-N 3.34Å; L147-L149 PolarHBondContact O-N 3.3Å; L147-R150 PolarHBondContact O-N 3.28Å; L147-F151 VanDerWaalsContact O-CD2 3.24Å; L147-F151 WeakPolarHBondContact O-CD2 3.31Å; L147-F151 PolarHBondContact O-N 3.42Å; L147-F151 VanDerWaalsContact O-N 3.13Å
148H50.5Low55.2Low123 Ų123134.7 Ų134.757%0.56963%0.627SS**Hα-helixtrans-61.8-36.7177.5-68.7103.2000113.2P144 E145 F151 R152P144-H148 PolarHBondContact O-N 2.8Å; P144-H148 PolarHBondContact O-ND1 3.32Å; E145-H148 WeakPolarHBondContact O-CB 3.28Å; E145-H148 PolarHBondContact O-N 3.39Å; E145-H148 VanDerWaalsContact O-N 3.1Å; H148-F151 PolarHBondContact O-N 3.02Å; H148-R152 WeakPolarHBondContact O-CB 3.49Å; H148-R152 PolarHBondContact O-N 3.38Å
149L49.7Very low54.1Low118 Ų118130.5 Ų130.562%0.61862%0.617SS**Hα-helixtrans-66.3-40.3179.6-128.392.4000112.7E145 L147 R152 I153E145-L149 PolarHBondContact O-N 3.1Å; L147-L149 VanDerWaalsContact C-N 3.34Å; L147-L149 PolarHBondContact O-N 3.3Å; L149-R152 PolarHBondContact O-N 2.86Å; L149-I153 VanDerWaalsContact O-CG1 3.29Å; L149-I153 WeakPolarHBondContact O-CG1 3.29Å; L149-I153 PolarHBondContact O-N 3.29Å; L149-I153 VanDerWaalsContact O-N 3.08Å
150R50.8Low53.2Low185 Ų185129.1 Ų129.170%0.69861%0.614SS**Hα-helixtrans-70.8-32.9175.1-89.5-173.9173.5-174.80.3112.7L147 F154L147-R150 PolarHBondContact O-N 3.28Å; R150-F154 PolarHBondContact O-N 3.41Å
151F51.1Low52.7Low128 Ų128129.6 Ų129.656%0.56162%0.618SS**Hα-helixtrans-69.2-38.8173-85.9-72.8000112.3L147 H148 F154 Q155L147-F151 VanDerWaalsContact O-CD2 3.24Å; L147-F151 WeakPolarHBondContact O-CD2 3.31Å; L147-F151 PolarHBondContact O-N 3.42Å; L147-F151 VanDerWaalsContact O-N 3.13Å; H148-F151 PolarHBondContact O-N 3.02Å; F151-F154 PolarHBondContact O-N 3.13Å; F151-Q155 PolarHBondContact O-N 3.36Å
152R47.9Very low52.1Low182 Ų182135.6 Ų135.669%0.68765%0.645SS**Hα-helixtrans-66.7-42.6175.9-91.6-173.9179.7179.51.3113.3H148 L149 F154 Q155 C156H148-R152 WeakPolarHBondContact O-CB 3.49Å; H148-R152 PolarHBondContact O-N 3.38Å; L149-R152 PolarHBondContact O-N 2.86Å; R152-F154 PolarHBondContact O-N 3.3Å; R152-Q155 PolarHBondContact O-N 3.06Å; R152-Q155 VanDerWaalsContact O-N 3.12Å; R152-C156 PolarHBondContact O-N 3.37Å; R152-C156 PolarHBondContact O-SG 3.08Å; R152-C156 VanDerWaalsContact O-SG 3.36Å
153I51.5Low51.9Low97 Ų97133.1 Ų133.150%0.49763%0.631SS.*Hα-helixtrans-60.9-34.6177.1-66.4165000111.1L149 C156L149-I153 VanDerWaalsContact O-CG1 3.29Å; L149-I153 WeakPolarHBondContact O-CG1 3.29Å; L149-I153 PolarHBondContact O-N 3.29Å; L149-I153 VanDerWaalsContact O-N 3.08Å; I153-C156 PolarHBondContact O-N 3.48Å
154F49.8Very low51.3Low161 Ų161137.5 Ų137.571%0.70665%0.649SS**Hα-helixtrans-74.5-27.3176.6-105-86.7000114.3R150 F151 R152R150-F154 PolarHBondContact O-N 3.41Å; F151-F154 PolarHBondContact O-N 3.13Å; R152-F154 PolarHBondContact O-N 3.3Å
155Q52.3Low50.8Low150 Ų150141.5 Ų141.570%0.70166%0.657SS**Hα-helixtrans-79.6-22.8173.5-79.7-179.2-29.400112.8F151 R152 M157F151-Q155 PolarHBondContact O-N 3.36Å; R152-Q155 PolarHBondContact O-N 3.06Å; R152-Q155 VanDerWaalsContact O-N 3.12Å; Q155-M157 VanDerWaalsContact C-N 3.33Å
156C51Low50.2Low107 Ų107141.3 Ų141.372%0.72366%0.656SS**THydrogen-bonded Turntrans-86.85.1175.9-61.60000114.3R152 I153R152-C156 PolarHBondContact O-N 3.37Å; R152-C156 PolarHBondContact O-SG 3.08Å; R152-C156 VanDerWaalsContact O-SG 3.36Å; I153-C156 PolarHBondContact O-N 3.48Å
157M52Low49.9Very low158 Ų158137.7 Ų137.778%0.77865%0.653SS**THydrogen-bonded Turntrans-11910.8179.1-66.7-170.9110.400114Q155Q155-M157 VanDerWaalsContact C-N 3.33Å
158N39.8Very low49.7Very low199 Ų199146.2 Ų146.2100%1.06469%0.691SS**  trans-119.20162.1-70.7-73000108.7

Retrieved 158 of 158 residues in 134.4 ms (Link to these results)

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