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Tubulin alpha chain

Tubulin is the major constituent of microtubules, a cylinder consisting of laterally associated linear protofilaments composed of alpha- and beta-tubulin heterodimers. Microtubules grow by the addition of GTP-tubulin dimers to the microtubule end, where a stabilizing cap forms. Below the cap, tubulin dimers are in GDP-bound state, owing to GTPase activity of alpha-tubulin.

AlphaFold DB , UniProt , Accession Q26444, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 451 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M67.2Low93Very high130 Ų13032.3 Ų32.364%0.6415%0.146SC*.  0155.50-140.1169.4-76.300108E3 N50 S130M1-E3 HydrophobicContact CB-CG 4.17Å; M1-E3 HydrophobicContact CG-CG 4.4Å; M1-E3 HydrophobicContact SD-CG 4.48Å; M1-N50 HydrophobicContact CE-CB 4.44Å; M1-N50 HydrophobicContact CG-CB 4.42Å; M1-N50 HydrophobicContact SD-CB 3.26Å; M1-N50 WeakPolarHBondContact SD-CB 3.36Å; M1-S130 VanDerWaalsContact CB-OG 3.3Å; M1-S130 WeakPolarHBondContact CB-OG 3.4Å
2R83.1Confident93.2Very high108 Ų10831.5 Ų31.541%0.40815%0.15SC..  trans-102.558.8-174.9-64.6-167.7174.3-172.2-4110.9T51 Q133R2-T51 WeakPolarHBondContact O-CG2 3.48Å; R2-Q133 VanDerWaalsContact CB-CD 3.5Å; R2-Q133 HydrophobicContact CB-CG 4.15Å; R2-Q133 VanDerWaalsContact CB-NE2 3.34Å
3E92.8Very high93.6Very high5 Ų529.1 Ų29.12%0.02314%0.138CC..EExtended strand (participates in β ladder)trans-77.2141.5-168.3-69.3152.8118.600112.3M1 T51 R64 C129 S130 G131 L132 Q133M1-E3 HydrophobicContact CB-CG 4.17Å; M1-E3 HydrophobicContact CG-CG 4.4Å; M1-E3 HydrophobicContact SD-CG 4.48Å; E3-T51 WeakPolarHBondContact CA-O 3.4Å; E3-R64 IonicContact OE1-CZ 2.77Å; E3-R64 VanDerWaalsContact OE1-CZ 3.24Å; E3-R64 IonicContact OE1-NH1 2.87Å; E3-R64 PolarHBondContact OE1-NH1 3.14Å; E3-R64 IonicContact OE1-NH2 3.9Å; E3-R64 PolarHBondContact OE1-NH2 2.96Å; E3-C129 HydrophobicContact CB-CB 4.02Å; E3-C129 WeakPolarHBondContact OE1-CA 3.35Å; E3-S130 PolarHBondContact OE1-N 3.02Å; E3-S130 WeakPolarHBondContact OE2-CA 3.25Å; E3-S130 WeakPolarHBondContact OE2-CB 3.3Å; E3-S130 PolarHBondContact OE2-N 2.96Å; E3-S130 PolarHBondContact OE2-OG 2.87Å; E3-G131 PolarHBondContact N-O 3.43Å; E3-G131 PolarHBondContact OE2-N 2.79Å; E3-L132 CarbonylContact O-C 3.59Å; E3-L132 WeakPolarHBondContact O-CA 3.38Å; E3-Q133 PolarHBondContact O-N 2.82Å
4C94.8Very high93.9Very high0 Ų027.1 Ų27.10%013%0.129CC..EExtended strand (participates in β ladder)trans-130.9150.2177.7-55.50000110.4T51 F52 R64 G134 L136 L252C4-T51 PolarHBondContact N-O 3.48Å; C4-F52 HydrophobicContact CB-CD1 4.16Å; C4-F52 HydrophobicContact CB-CE1 3.76Å; C4-R64 WeakPolarHBondContact O-CB 3.26Å; C4-G134 WeakPolarHBondContact CA-O 3.21Å; C4-L136 HydrophobicContact CB-CG 4.48Å; C4-L252 VanDerWaalsContact SG-CD1 3.55Å
5I97.4Very high94.1Very high0 Ų028.1 Ų28.10%013%0.133CC..EExtended strand (participates in β ladder)trans-110.8127.3175-63.7167000108.3L7 R64 I66 A126 L132 G134 F135 L136I5-L7 HydrophobicContact CG2-CD2 3.85Å; I5-L7 HydrophobicContact CG2-CG 4.49Å; I5-R64 WeakPolarHBondContact CA-O 3.48Å; I5-I66 HydrophobicContact CG2-CD1 4.49Å; I5-A126 HydrophobicContact CD1-CB 4.09Å; I5-L132 HydrophobicContact CB-CD1 4.49Å; I5-L132 HydrophobicContact CD1-CD1 3.78Å; I5-L132 HydrophobicContact CD1-CD2 4.29Å; I5-L132 HydrophobicContact CG1-CD1 3.84Å; I5-G134 PolarHBondContact N-O 2.94Å; I5-G134 VanDerWaalsContact N-O 3.15Å; I5-F135 HydrophobicContact CB-CD1 3.9Å; I5-F135 HydrophobicContact CB-CE1 4.08Å; I5-F135 HydrophobicContact CD1-CE1 3.99Å; I5-F135 HydrophobicContact CG2-CD1 4.24Å; I5-F135 HydrophobicContact CG2-CE1 4.4Å; I5-F135 VanDerWaalsContact O-CA 3.3Å; I5-F135 WeakPolarHBondContact O-CA 3.46Å; I5-L136 PolarHBondContact O-N 3.43Å
6S98.4Very high94.4Very high1 Ų126.4 Ų26.41%0.00713%0.125CC..EExtended strand (participates in β ladder)trans-94.1128.7174.5-54.80000110.8H8 R64 A65 I66 L136S6-H8 VanDerWaalsContact CB-NE2 3.33Å; S6-H8 WeakPolarHBondContact CB-NE2 3.29Å; S6-R64 PolarHBondContact N-O 3.37Å; S6-A65 CarbonylContact O-C 3.53Å; S6-A65 VanDerWaalsContact O-CA 3.31Å; S6-A65 WeakPolarHBondContact O-CA 3.23Å; S6-I66 PolarHBondContact O-N 2.82Å; S6-L136 CarbonylContact C-O 3.51Å; S6-L136 VanDerWaalsContact CA-O 3.31Å; S6-L136 WeakPolarHBondContact CA-O 3.36Å
7L98.7Very high94.5Very high2 Ų224.8 Ų24.81%0.0112%0.118CC..EExtended strand (participates in β ladder)trans-112.3112.3177.5-54.9178.5000108.2I5 I9 I66 V122 F135 L136 I137 F138 L153 L157I5-L7 HydrophobicContact CG2-CD2 3.85Å; I5-L7 HydrophobicContact CG2-CG 4.49Å; L7-I9 HydrophobicContact CB-CD1 4.31Å; L7-I9 HydrophobicContact CB-CG1 4.42Å; L7-I66 HydrophobicContact CD2-CB 3.92Å; L7-I66 HydrophobicContact CD2-CD1 3.99Å; L7-I66 HydrophobicContact CD2-CG1 4.26Å; L7-V122 HydrophobicContact CD2-CG2 3.95Å; L7-F135 HydrophobicContact CD1-CB 4.34Å; L7-F135 HydrophobicContact CD1-CD1 3.95Å; L7-F135 HydrophobicContact CD1-CG 4.37Å; L7-F135 HydrophobicContact CG-CD1 4.34Å; L7-L136 PolarHBondContact N-O 2.83Å; L7-I137 HydrophobicContact CD1-CG1 4.38Å; L7-F138 PolarHBondContact O-N 2.91Å; L7-L153 HydrophobicContact CD1-CD2 4.07Å; L7-L157 HydrophobicContact CD1-CD1 3.58Å
8H98.7Very high94.6Very high1 Ų126.6 Ų26.61%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-106.8107-177.1-63.6-73.4000109.3S6 G13 G17 W21 I66 F67 V68 F138S6-H8 VanDerWaalsContact CB-NE2 3.33Å; S6-H8 WeakPolarHBondContact CB-NE2 3.29Å; H8-G13 PolarHBondContact ND1-O 3.32Å; H8-G17 WeakPolarHBondContact CE1-CA 3.48Å; H8-G17 WeakPolarHBondContact ND1-CA 3.49Å; H8-W21 AromaticContact CD2-NE1 3.78Å; H8-W21 AromaticContact CE1-NE1 3.99Å; H8-W21 AromaticContact NE2-CD1 3.92Å; H8-W21 AromaticContact NE2-NE1 3.11Å; H8-W21 PolarHBondContact NE2-NE1 3.28Å; H8-W21 VanDerWaalsContact NE2-NE1 3.11Å; H8-I66 PolarHBondContact N-O 3.5Å; H8-F67 HydrophobicContact CB-CD1 3.49Å; H8-F67 VanDerWaalsContact CB-CD1 3.49Å; H8-F67 HydrophobicContact CB-CE1 3.77Å; H8-F67 HydrophobicContact CB-CG 4.1Å; H8-F67 AromaticContact CD2-CE1 3.78Å; H8-F67 AromaticContact CD2-CZ 3.74Å; H8-F67 AromaticContact CG-CD1 3.98Å; H8-F67 AromaticContact CG-CE1 3.74Å; H8-F67 WeakPolarHBondContact O-CA 3.25Å; H8-V68 PolarHBondContact O-N 3.48Å; H8-F138 AromaticContact CE1-CD2 3.16Å; H8-F138 WeakPolarHBondContact CE1-CD2 3.2Å; H8-F138 AromaticContact CE1-CE2 3.43Å; H8-F138 VanDerWaalsContact CE1-CE2 3.43Å; H8-F138 WeakPolarHBondContact CE1-CE2 3.24Å; H8-F138 AromaticContact CE1-CG 3.52Å; H8-F138 AromaticContact CE1-CZ 3.98Å; H8-F138 WeakPolarHBondContact ND1-CB 3.04Å; H8-F138 AromaticContact ND1-CD2 3.37Å; H8-F138 WeakPolarHBondContact ND1-CD2 3.37Å; H8-F138 AromaticContact ND1-CG 3.38Å; H8-F138 WeakPolarHBondContact ND1-CG 3.29Å
9I98.5Very high94.8Very high1 Ų125.7 Ų25.71%0.00513%0.126CC..EExtended strand (participates in β ladder)trans-120.4126-163.2-52.9169.1000111.3L7 G13 V68 I137 F138 H139 T145 F149 T150 L153L7-I9 HydrophobicContact CB-CD1 4.31Å; L7-I9 HydrophobicContact CB-CG1 4.42Å; I9-G13 WeakPolarHBondContact O-CA 3.46Å; I9-G13 PolarHBondContact O-N 2.8Å; I9-V68 WeakPolarHBondContact CA-O 3.36Å; I9-I137 HydrophobicContact CD1-CG2 4.03Å; I9-F138 PolarHBondContact N-O 2.89Å; I9-H139 HydrophobicContact CB-CB 4.45Å; I9-T145 HydrophobicContact CG2-CG2 4.06Å; I9-F149 HydrophobicContact CG2-CD1 3.7Å; I9-F149 HydrophobicContact CG2-CE1 4.4Å; I9-T150 HydrophobicContact CD1-CG2 4.01Å; I9-T150 VanDerWaalsContact CG2-OG1 3.3Å; I9-T150 WeakPolarHBondContact CG2-OG1 2.91Å; I9-L153 HydrophobicContact CD1-CD2 3.62Å
10G97.3Very high94.9Very high1 Ų124.5 Ų24.51%0.0112%0.12CC..Hα-helixtrans69.4175.4-17800000113.3A12 G13 V14 V68 D69G10-A12 PolarHBondContact O-N 3.16Å; G10-G13 PolarHBondContact O-N 3.17Å; G10-G13 VanDerWaalsContact O-N 3.11Å; G10-V14 VanDerWaalsContact O-CG2 3.31Å; G10-V14 WeakPolarHBondContact O-CG2 3.44Å; G10-V14 PolarHBondContact O-N 3.06Å; G10-V68 PolarHBondContact N-O 3.15Å; G10-D69 VanDerWaalsContact C-OD2 3.25Å; G10-D69 WeakPolarHBondContact CA-OD2 3.23Å
11Q95.8Very high95Very high106 Ų10623.3 Ų23.350%0.49511%0.114SC..Hα-helixtrans-48.6-52.5-176.8-172.6-179.5-39.300114.1Q15 D69 V74Q11-Q15 WeakPolarHBondContact O-CB 3.43Å; Q11-Q15 VanDerWaalsContact O-CG 3.25Å; Q11-Q15 WeakPolarHBondContact O-CG 3.38Å; Q11-Q15 PolarHBondContact O-N 3.43Å; Q11-D69 PolarHBondContact N-OD2 3.13Å; Q11-V74 HydrophobicContact CG-CB 4.39Å; Q11-V74 HydrophobicContact CG-CG2 4.12Å
12A95.8Very high96.5Very high23 Ų2319.1 Ų19.119%0.199%0.093CC..Hα-helixtrans-61.6-47.6179.300000112.3G10 Q15 M16 I171G10-A12 PolarHBondContact O-N 3.16Å; A12-Q15 PolarHBondContact O-N 2.65Å; A12-M16 WeakPolarHBondContact O-CB 3.28Å; A12-M16 WeakPolarHBondContact O-CG 3.41Å; A12-M16 PolarHBondContact O-N 3.16Å; A12-I171 HydrophobicContact CB-CD1 3.91Å
13G97.9Very high97.1Very high0 Ų014 Ų140%07%0.074CC..Hα-helixtrans-60.9-46.9-179.800000112.4H8 I9 G10 Q15 M16 G17 F138H8-G13 PolarHBondContact ND1-O 3.32Å; I9-G13 WeakPolarHBondContact O-CA 3.46Å; I9-G13 PolarHBondContact O-N 2.8Å; G10-G13 PolarHBondContact O-N 3.17Å; G10-G13 VanDerWaalsContact O-N 3.11Å; G13-Q15 PolarHBondContact O-N 3.04Å; G13-M16 PolarHBondContact O-N 2.78Å; G13-G17 PolarHBondContact O-N 3.13Å; G13-F138 VanDerWaalsContact CA-O 3.25Å; G13-F138 WeakPolarHBondContact CA-O 3.44Å
14V98.2Very high97.2Very high1 Ų113.8 Ų13.81%0.0067%0.073CC..Hα-helixtrans-62.8-43.8178.8174.20000111.5G10 G17 N18 F67 V74 V75 V78G10-V14 VanDerWaalsContact O-CG2 3.31Å; G10-V14 WeakPolarHBondContact O-CG2 3.44Å; G10-V14 PolarHBondContact O-N 3.06Å; V14-G17 PolarHBondContact O-N 2.73Å; V14-N18 PolarHBondContact O-N 2.88Å; V14-F67 HydrophobicContact CB-CD1 4.19Å; V14-F67 HydrophobicContact CG1-CD1 3.84Å; V14-F67 HydrophobicContact CG1-CE1 4.38Å; V14-F67 HydrophobicContact CG2-CB 4.45Å; V14-F67 HydrophobicContact CG2-CD1 4.08Å; V14-V74 HydrophobicContact CB-CG1 3.93Å; V14-V74 HydrophobicContact CB-CG2 3.89Å; V14-V74 HydrophobicContact CG1-CB 4.36Å; V14-V74 HydrophobicContact CG1-CG1 4.02Å; V14-V74 HydrophobicContact CG1-CG2 3.71Å; V14-V74 HydrophobicContact CG2-CG1 3.98Å; V14-V75 HydrophobicContact CG1-CG2 4.46Å; V14-V75 HydrophobicContact CG2-CG2 4.03Å; V14-V78 HydrophobicContact CG1-CG2 3.77Å
15Q97.4Very high97.2Very high43 Ų4313.9 Ų13.920%0.2017%0.073CC..Hα-helixtrans-68.7-40.1179.6-70.4179.1-21.200112.6Q11 A12 G13 G17 N18 A19 V74 N228Q11-Q15 WeakPolarHBondContact O-CB 3.43Å; Q11-Q15 VanDerWaalsContact O-CG 3.25Å; Q11-Q15 WeakPolarHBondContact O-CG 3.38Å; Q11-Q15 PolarHBondContact O-N 3.43Å; A12-Q15 PolarHBondContact O-N 2.65Å; G13-Q15 PolarHBondContact O-N 3.04Å; Q15-G17 VanDerWaalsContact C-N 3.32Å; Q15-N18 PolarHBondContact O-N 3.48Å; Q15-A19 PolarHBondContact O-N 3.47Å; Q15-V74 HydrophobicContact CG-CG2 3.72Å; Q15-N228 WeakPolarHBondContact CB-ND2 3.18Å
16M97.8Very high97.1Very high0 Ų016.8 Ų16.80%09%0.088CC..Hα-helixtrans-60-45170.3-74.8-170.3-67.900110.8A12 G13 N18 A19 C20 F138 H139 I171 I231A12-M16 WeakPolarHBondContact O-CB 3.28Å; A12-M16 WeakPolarHBondContact O-CG 3.41Å; A12-M16 PolarHBondContact O-N 3.16Å; G13-M16 PolarHBondContact O-N 2.78Å; M16-N18 PolarHBondContact O-N 2.86Å; M16-A19 PolarHBondContact O-N 3.3Å; M16-C20 PolarHBondContact O-N 2.72Å; M16-C20 PolarHBondContact O-SG 2.95Å; M16-F138 HydrophobicContact CB-CD1 4.37Å; M16-F138 HydrophobicContact CE-CB 4.14Å; M16-H139 WeakPolarHBondContact CE-O 3.43Å; M16-I171 HydrophobicContact CE-CD1 4.13Å; M16-I171 HydrophobicContact CE-CG1 3.86Å; M16-I171 HydrophobicContact CG-CD1 4.22Å; M16-I171 HydrophobicContact SD-CD1 3.81Å; M16-I171 HydrophobicContact SD-CG1 3.68Å; M16-I231 HydrophobicContact CG-CD1 4.26Å; M16-I231 HydrophobicContact CG-CG2 4.46Å; M16-I231 HydrophobicContact SD-CD1 4Å; M16-I231 HydrophobicContact SD-CG2 3.98Å
17G97.4Very high96.9Very high0 Ų017.2 Ų17.20%09%0.09CC..Hα-helixtrans-57.2-46.2177.900000112.9H8 G13 V14 Q15 A19 C20 W21H8-G17 WeakPolarHBondContact CE1-CA 3.48Å; H8-G17 WeakPolarHBondContact ND1-CA 3.49Å; G13-G17 PolarHBondContact O-N 3.13Å; V14-G17 PolarHBondContact O-N 2.73Å; Q15-G17 VanDerWaalsContact C-N 3.32Å; G17-A19 VanDerWaalsContact C-N 3.3Å; G17-A19 PolarHBondContact O-N 3.49Å; G17-C20 PolarHBondContact O-N 3.18Å; G17-C20 VanDerWaalsContact O-N 3.14Å; G17-W21 PolarHBondContact O-N 3.36Å
18N96.5Very high96.5Very high56 Ų5617.2 Ų17.230%0.2999%0.09SC..Hα-helixtrans-58.3-42.9178.9-163.726.2000111.9V14 Q15 M16 E22V14-N18 PolarHBondContact O-N 2.88Å; Q15-N18 PolarHBondContact O-N 3.48Å; M16-N18 PolarHBondContact O-N 2.86Å; N18-E22 WeakPolarHBondContact O-CB 3.45Å; N18-E22 PolarHBondContact O-N 3.34Å
19A97.1Very high96.2Very high11 Ų1118.3 Ų18.39%0.09110%0.102CC..Hα-helixtrans-67.8-39.2175.600000112.7Q15 M16 G17 L23 N228 R229 A232Q15-A19 PolarHBondContact O-N 3.47Å; M16-A19 PolarHBondContact O-N 3.3Å; G17-A19 VanDerWaalsContact C-N 3.3Å; G17-A19 PolarHBondContact O-N 3.49Å; A19-L23 PolarHBondContact O-N 3.27Å; A19-L23 VanDerWaalsContact O-N 3.16Å; A19-N228 HydrophobicContact CB-CB 3.78Å; A19-N228 WeakPolarHBondContact CB-O 3.32Å; A19-R229 HydrophobicContact CB-CG 4.49Å; A19-A232 HydrophobicContact CB-CB 4.22Å
20C97.7Very high95.9Very high0 Ų018.6 Ų18.60%010%0.103CC..Hα-helixtrans-64-45.8177.4-66.90000111.8M16 G17 L23 Y24M16-C20 PolarHBondContact O-N 2.72Å; M16-C20 PolarHBondContact O-SG 2.95Å; G17-C20 PolarHBondContact O-N 3.18Å; G17-C20 VanDerWaalsContact O-N 3.14Å; C20-L23 PolarHBondContact O-N 3.16Å; C20-Y24 HydrophobicContact CB-CE2 4.12Å; C20-Y24 WeakPolarHBondContact O-CD2 3.21Å; C20-Y24 VanDerWaalsContact O-CG 3.24Å; C20-Y24 PolarHBondContact O-N 3.39Å
21W97.5Very high95.8Very high1 Ų122.4 Ų22.40%0.00412%0.121CC..Hα-helixtrans-72.3-32.1-179.9-70.1108.8000112.9H8 G17 L23 Y24 C25 F52 F53 P63 A65 F67 F87H8-W21 AromaticContact CD2-NE1 3.78Å; H8-W21 AromaticContact CE1-NE1 3.99Å; H8-W21 AromaticContact NE2-CD1 3.92Å; H8-W21 AromaticContact NE2-NE1 3.11Å; H8-W21 PolarHBondContact NE2-NE1 3.28Å; H8-W21 VanDerWaalsContact NE2-NE1 3.11Å; G17-W21 PolarHBondContact O-N 3.36Å; W21-L23 VanDerWaalsContact C-N 3.29Å; W21-L23 PolarHBondContact O-N 3.08Å; W21-Y24 HydrophobicContact CD2-CD2 4.01Å; W21-Y24 AromaticContact CE3-CD2 3.7Å; W21-Y24 HydrophobicContact CE3-CD2 3.7Å; W21-Y24 HydrophobicContact CH2-CD2 4.44Å; W21-Y24 AromaticContact CZ3-CD2 3.94Å; W21-Y24 HydrophobicContact CZ3-CD2 3.94Å; W21-Y24 PolarHBondContact O-N 2.9Å; W21-C25 VanDerWaalsContact O-CB 3.31Å; W21-C25 WeakPolarHBondContact O-CB 3.47Å; W21-C25 PolarHBondContact O-N 3.48Å; W21-C25 PolarHBondContact O-SG 2.89Å; W21-F52 HydrophobicContact CH2-CB 3.98Å; W21-F52 HydrophobicContact CZ3-CB 4.11Å; W21-F53 HydrophobicContact CE3-CE1 4.15Å; W21-F53 AromaticContact CE3-CZ 3.85Å; W21-F53 HydrophobicContact CE3-CZ 3.85Å; W21-F53 AromaticContact CZ3-CE1 3.99Å; W21-F53 HydrophobicContact CZ3-CE1 3.99Å; W21-F53 HydrophobicContact CZ3-CE2 4Å; W21-F53 AromaticContact CZ3-CZ 3.7Å; W21-F53 HydrophobicContact CZ3-CZ 3.7Å; W21-P63 HydrophobicContact CD2-CB 4.03Å; W21-P63 HydrophobicContact CD2-CG 4.23Å; W21-P63 HydrophobicContact CE3-CB 3.74Å; W21-P63 HydrophobicContact CE3-CG 3.8Å; W21-P63 HydrophobicContact CH2-CB 3.67Å; W21-P63 HydrophobicContact CZ2-CB 3.94Å; W21-P63 HydrophobicContact CZ3-CB 3.55Å; W21-P63 HydrophobicContact CZ3-CG 3.98Å; W21-A65 HydrophobicContact CH2-CB 4.44Å; W21-A65 HydrophobicContact CZ2-CB 3.51Å; W21-F67 AromaticContact CD1-CZ 3.69Å; W21-F67 AromaticContact NE1-CZ 3.92Å; W21-F87 HydrophobicContact CB-CE1 4.19Å; W21-F87 HydrophobicContact CB-CZ 3.78Å; W21-F87 AromaticContact CD1-CE1 3.75Å; W21-F87 AromaticContact CD1-CZ 3.89Å; W21-F87 HydrophobicContact CD2-CE1 4.16Å; W21-F87 AromaticContact CG-CE1 3.77Å; W21-F87 HydrophobicContact CG-CE1 3.77Å; W21-F87 AromaticContact CG-CZ 3.83Å; W21-F87 HydrophobicContact CG-CZ 3.83Å
22E96.9Very high95.8Very high41 Ų4119.7 Ų19.719%0.19211%0.112CC..Hα-helixtrans-53.3-51166.7173.6178.1-129.500109.9N18 C25 L26 Y83 R229 V363N18-E22 WeakPolarHBondContact O-CB 3.45Å; N18-E22 PolarHBondContact O-N 3.34Å; E22-C25 PolarHBondContact O-N 3.37Å; E22-L26 HydrophobicContact CG-CD1 4.35Å; E22-L26 WeakPolarHBondContact O-CG 3.39Å; E22-L26 PolarHBondContact O-N 3.02Å; E22-L26 VanDerWaalsContact O-N 3.16Å; E22-Y83 HydrophobicContact CB-CE2 3.88Å; E22-Y83 HydrophobicContact CG-CE2 4.08Å; E22-R229 IonicContact OE1-NH2 3.27Å; E22-R229 PolarHBondContact OE1-NH2 3.17Å; E22-R229 IonicContact OE2-CZ 3.65Å; E22-R229 IonicContact OE2-NE 3.15Å; E22-R229 PolarHBondContact OE2-NE 3.12Å; E22-R229 VanDerWaalsContact OE2-NE 3.15Å; E22-R229 IonicContact OE2-NH2 3.21Å; E22-R229 PolarHBondContact OE2-NH2 2.96Å; E22-V363 HydrophobicContact CG-CG1 4.27Å
23L96.3Very high95.7Very high1 Ų120.9 Ų20.91%0.00512%0.115CC..Hα-helixtrans-65.9-45.5-179.6-176.559.3000112.7A19 C20 W21 C25 L26 E27 A232 T361 V363A19-L23 PolarHBondContact O-N 3.27Å; A19-L23 VanDerWaalsContact O-N 3.16Å; C20-L23 PolarHBondContact O-N 3.16Å; W21-L23 VanDerWaalsContact C-N 3.29Å; W21-L23 PolarHBondContact O-N 3.08Å; L23-C25 VanDerWaalsContact C-N 3.31Å; L23-C25 PolarHBondContact O-N 3.43Å; L23-L26 PolarHBondContact O-N 2.67Å; L23-L26 VanDerWaalsContact O-N 3.15Å; L23-E27 HydrophobicContact CD1-CG 4.29Å; L23-E27 HydrophobicContact CG-CG 4.41Å; L23-E27 WeakPolarHBondContact O-CG 3.33Å; L23-E27 PolarHBondContact O-N 2.79Å; L23-A232 HydrophobicContact CB-CB 4.48Å; L23-A232 HydrophobicContact CD2-CB 4.03Å; L23-A232 WeakPolarHBondContact CD2-O 3.42Å; L23-T361 HydrophobicContact CD1-CG2 4.24Å; L23-T361 VanDerWaalsContact CD1-O 3.27Å; L23-T361 WeakPolarHBondContact CD1-O 3.39Å; L23-V363 HydrophobicContact CD1-CG2 4.48Å
24Y95.6Very high95.6Very high1 Ų120.9 Ų20.90%0.00412%0.115CC..Hα-helixtrans-61-40.2177.8-64.2-29.7000112.4C20 W21 L26 E27 H28 F52 V235 T239C20-Y24 HydrophobicContact CB-CE2 4.12Å; C20-Y24 WeakPolarHBondContact O-CD2 3.21Å; C20-Y24 VanDerWaalsContact O-CG 3.24Å; C20-Y24 PolarHBondContact O-N 3.39Å; W21-Y24 HydrophobicContact CD2-CD2 4.01Å; W21-Y24 AromaticContact CE3-CD2 3.7Å; W21-Y24 HydrophobicContact CE3-CD2 3.7Å; W21-Y24 HydrophobicContact CH2-CD2 4.44Å; W21-Y24 AromaticContact CZ3-CD2 3.94Å; W21-Y24 HydrophobicContact CZ3-CD2 3.94Å; W21-Y24 PolarHBondContact O-N 2.9Å; Y24-L26 VanDerWaalsContact C-N 3.33Å; Y24-L26 PolarHBondContact O-N 3.1Å; Y24-E27 PolarHBondContact O-N 3.15Å; Y24-H28 WeakPolarHBondContact O-CB 3.46Å; Y24-H28 PolarHBondContact O-CD2 3.29Å; Y24-H28 PolarHBondContact O-N 3.37Å; Y24-F52 HydrophobicContact CD2-CD2 4.07Å; Y24-F52 HydrophobicContact CD2-CE2 4.47Å; Y24-F52 HydrophobicContact CE1-CE2 4.19Å; Y24-F52 AromaticContact CE2-CD2 3.86Å; Y24-F52 HydrophobicContact CE2-CD2 3.86Å; Y24-F52 AromaticContact CE2-CE2 3.85Å; Y24-F52 HydrophobicContact CE2-CE2 3.85Å; Y24-F52 AromaticContact CZ-CE2 3.69Å; Y24-V235 WeakPolarHBondContact OH-CG1 3.46Å; Y24-T239 PolarHBondContact OH-OG1 3.27Å
25C95.3Very high95.3Very high1 Ų124.2 Ų24.21%0.00713%0.131CC..Hα-helixtrans-59.5-45.2174.2-83.40000111.7W21 E22 L23 H28 G29 I30 Y83 L86W21-C25 VanDerWaalsContact O-CB 3.31Å; W21-C25 WeakPolarHBondContact O-CB 3.47Å; W21-C25 PolarHBondContact O-N 3.48Å; W21-C25 PolarHBondContact O-SG 2.89Å; E22-C25 PolarHBondContact O-N 3.37Å; L23-C25 VanDerWaalsContact C-N 3.31Å; L23-C25 PolarHBondContact O-N 3.43Å; C25-H28 PolarHBondContact O-N 2.92Å; C25-G29 PolarHBondContact O-N 3.12Å; C25-I30 CarbonylContact C-O 3.49Å; C25-I30 HydrophobicContact CB-CB 4.42Å; C25-I30 VanDerWaalsContact CB-O 3.29Å; C25-I30 WeakPolarHBondContact CB-O 3.36Å; C25-I30 PolarHBondContact O-N 3.36Å; C25-Y83 HydrophobicContact CB-CE1 3.87Å; C25-L86 VanDerWaalsContact SG-CD2 3.57Å
26L94.5Very high94.9Very high61 Ų6123.4 Ų23.432%0.31913%0.127SC..Hα-helixtrans-64.7-41.5177.2-66.6169.7000112.3E22 L23 Y24 H28 G29 T361 V363 P364E22-L26 HydrophobicContact CG-CD1 4.35Å; E22-L26 WeakPolarHBondContact O-CG 3.39Å; E22-L26 PolarHBondContact O-N 3.02Å; E22-L26 VanDerWaalsContact O-N 3.16Å; L23-L26 PolarHBondContact O-N 2.67Å; L23-L26 VanDerWaalsContact O-N 3.15Å; Y24-L26 VanDerWaalsContact C-N 3.33Å; Y24-L26 PolarHBondContact O-N 3.1Å; L26-H28 VanDerWaalsContact C-N 3.34Å; L26-H28 PolarHBondContact O-N 3.07Å; L26-G29 PolarHBondContact O-N 3.01Å; L26-T361 HydrophobicContact CB-CG2 3.79Å; L26-V363 HydrophobicContact CD1-CB 4.3Å; L26-V363 HydrophobicContact CD1-CG1 4.24Å; L26-V363 HydrophobicContact CD1-CG2 4.08Å; L26-P364 HydrophobicContact CD2-CG 4.44Å
27E93.2Very high94.2Very high11 Ų1126.1 Ų26.15%0.05115%0.15CC..Hα-helixtrans-65.7-35.3178.8-73.2-174.7144.200112.9L23 Y24 S236 R243 F244 R320 T361L23-E27 HydrophobicContact CD1-CG 4.29Å; L23-E27 HydrophobicContact CG-CG 4.41Å; L23-E27 WeakPolarHBondContact O-CG 3.33Å; L23-E27 PolarHBondContact O-N 2.79Å; Y24-E27 PolarHBondContact O-N 3.15Å; E27-S236 PolarHBondContact OE1-OG 3.29Å; E27-S236 PolarHBondContact OE2-OG 3.23Å; E27-S236 VanDerWaalsContact OE2-OG 3.06Å; E27-R243 IonicContact OE2-CZ 3.87Å; E27-R243 VanDerWaalsContact OE2-CZ 3.24Å; E27-R243 IonicContact OE2-NH1 3.33Å; E27-R243 PolarHBondContact OE2-NH1 3.48Å; E27-R243 IonicContact OE2-NH2 3.78Å; E27-R243 PolarHBondContact OE2-NH2 2.72Å; E27-F244 HydrophobicContact CB-CE2 4.33Å; E27-F244 HydrophobicContact CB-CZ 3.91Å; E27-R320 IonicContact OE1-CZ 2.7Å; E27-R320 IonicContact OE1-NH1 3.63Å; E27-R320 IonicContact OE1-NH2 3.97Å; E27-R320 PolarHBondContact OE1-NH2 2.82Å; E27-T361 HydrophobicContact CG-CG2 4.44Å; E27-T361 WeakPolarHBondContact CG-OG1 3.34Å
28H91.8Very high92.9Very high1 Ų129.5 Ų29.51%0.00517%0.17CC..Hα-helixtrans-94.7-2.2-179.8-69.6-69.2000114Y24 C25 L26 I30 M36 I45 F53 R243 F244Y24-H28 WeakPolarHBondContact O-CB 3.46Å; Y24-H28 PolarHBondContact O-CD2 3.29Å; Y24-H28 PolarHBondContact O-N 3.37Å; C25-H28 PolarHBondContact O-N 2.92Å; L26-H28 VanDerWaalsContact C-N 3.34Å; L26-H28 PolarHBondContact O-N 3.07Å; H28-I30 VanDerWaalsContact C-N 3.27Å; H28-I30 HydrophobicContact CB-CD1 3.83Å; H28-I30 HydrophobicContact CB-CG1 4.03Å; H28-I30 PolarHBondContact O-N 3Å; H28-M36 VanDerWaalsContact O-CE 3.26Å; H28-M36 WeakPolarHBondContact O-CE 3.24Å; H28-I45 WeakPolarHBondContact O-CD1 3.33Å; H28-F53 AromaticContact CD2-CE2 3.95Å; H28-R243 PolarHBondContact NE2-NH1 3.45Å; H28-R243 VanDerWaalsContact NE2-NH1 3.13Å; H28-F244 AromaticContact CE1-CE1 3.54Å; H28-F244 AromaticContact CE1-CZ 3.42Å; H28-F244 VanDerWaalsContact CE1-CZ 3.42Å; H28-F244 WeakPolarHBondContact CE1-CZ 3.36Å; H28-F244 AromaticContact ND1-CE1 3.79Å; H28-F244 AromaticContact ND1-CZ 3.87Å; H28-F244 AromaticContact NE2-CZ 3.76Å
29G91.3Very high91.2Very high24 Ų2433.2 Ų33.225%0.24719%0.19CC..THydrogen-bonded Turntrans68.624.6-176.600000114.1C25 L26 A37C25-G29 PolarHBondContact O-N 3.12Å; L26-G29 PolarHBondContact O-N 3.01Å; G29-A37 PolarHBondContact O-N 2.87Å
30I93.2Very high89.1Confident8 Ų840 Ų404%0.04122%0.22CC..BIsolated β-bridgetrans-89.5124.9177.7-63.1168000108.5C25 H28 M36 F53 H61 L86C25-I30 CarbonylContact C-O 3.49Å; C25-I30 HydrophobicContact CB-CB 4.42Å; C25-I30 VanDerWaalsContact CB-O 3.29Å; C25-I30 WeakPolarHBondContact CB-O 3.36Å; C25-I30 PolarHBondContact O-N 3.36Å; H28-I30 VanDerWaalsContact C-N 3.27Å; H28-I30 HydrophobicContact CB-CD1 3.83Å; H28-I30 HydrophobicContact CB-CG1 4.03Å; H28-I30 PolarHBondContact O-N 3Å; I30-M36 HydrophobicContact CG1-SD 3.58Å; I30-M36 VanDerWaalsContact CG1-SD 3.58Å; I30-F53 HydrophobicContact CD1-CD1 3.9Å; I30-F53 HydrophobicContact CD1-CD2 3.94Å; I30-F53 HydrophobicContact CD1-CE1 3.75Å; I30-F53 HydrophobicContact CD1-CE2 3.81Å; I30-F53 HydrophobicContact CD1-CG 3.99Å; I30-F53 HydrophobicContact CD1-CZ 3.71Å; I30-H61 HydrophobicContact CD1-CB 3.94Å; I30-L86 HydrophobicContact CG2-CD1 4.23Å
31Q94.9Very high87Confident81 Ų8141.6 Ų41.638%0.37923%0.23SC..  trans-73.8162176.2-64.2-176.8-31.600111.2N33 G34 H35 A37Q31-N33 WeakPolarHBondContact CB-OD1 3.36Å; Q31-N33 PolarHBondContact O-N 3.43Å; Q31-G34 PolarHBondContact O-N 2.75Å; Q31-H35 VanDerWaalsContact CB-O 3.29Å; Q31-H35 WeakPolarHBondContact CB-O 3.29Å; Q31-H35 WeakPolarHBondContact CG-O 3.36Å; Q31-H35 PolarHBondContact N-O 3.22Å; Q31-A37 HydrophobicContact CG-CB 3.99Å
32P95.6Very high84.8Confident48 Ų4847 Ų4731%0.31225%0.253SS..THydrogen-bonded Turntrans-58.7-14.6179.7-26.134.7000116.2T82 Y83 L86P32-T82 HydrophobicContact CB-CG2 4.24Å; P32-T82 WeakPolarHBondContact CB-O 3.26Å; P32-T82 HydrophobicContact CG-CG2 4.15Å; P32-Y83 HydrophobicContact CB-CD1 3.69Å; P32-Y83 HydrophobicContact CB-CE1 3.83Å; P32-Y83 HydrophobicContact CB-CG 4.26Å; P32-Y83 HydrophobicContact CG-CD1 4.23Å; P32-Y83 HydrophobicContact CG-CE1 3.83Å; P32-L86 PolarHBondContact O-N 2.62Å
33N94.6Very high82.5Confident49 Ų4953.9 Ų53.926%0.26229%0.286SS..THydrogen-bonded Turntrans-88.3-2173.964.27.2000113.7Q31 H35 K60 Q85Q31-N33 WeakPolarHBondContact CB-OD1 3.36Å; Q31-N33 PolarHBondContact O-N 3.43Å; N33-H35 WeakPolarHBondContact OD1-CB 3.34Å; N33-H35 PolarHBondContact OD1-N 3.07Å; N33-K60 VanDerWaalsContact O-CE 3.31Å; N33-K60 WeakPolarHBondContact O-CE 3.33Å; N33-Q85 HydrophobicContact CB-CB 4.44Å
34G94.3Very high80.3Confident0 Ų062.3 Ų62.30%032%0.322CS..SBendtrans86.62.2-177.400000115.2Q31 H61Q31-G34 PolarHBondContact O-N 2.75Å; G34-H61 PolarHBondContact O-N 2.75Å; G34-H61 PolarHBondContact O-ND1 3.11Å
35H93.5Very high78.3Confident71 Ų7163.6 Ų63.633%0.32933%0.329SS..SBendtrans-96.5150.2176.7-67.6-72.7000111.9Q31 N33 G59Q31-H35 VanDerWaalsContact CB-O 3.29Å; Q31-H35 WeakPolarHBondContact CB-O 3.29Å; Q31-H35 WeakPolarHBondContact CG-O 3.36Å; Q31-H35 PolarHBondContact N-O 3.22Å; N33-H35 WeakPolarHBondContact OD1-CB 3.34Å; N33-H35 PolarHBondContact OD1-N 3.07Å; H35-G59 PolarHBondContact ND1-O 2.67Å
36M88.8Confident76.7Confident25 Ų2570.6 Ų70.612%0.12337%0.366CS..BIsolated β-bridgetrans-69141.4175.8-62.5-65.7-73.600110.5H28 I30 T38 T41 I45H28-M36 VanDerWaalsContact O-CE 3.26Å; H28-M36 WeakPolarHBondContact O-CE 3.24Å; I30-M36 HydrophobicContact CG1-SD 3.58Å; I30-M36 VanDerWaalsContact CG1-SD 3.58Å; M36-T38 PolarHBondContact O-N 3.28Å; M36-T41 VanDerWaalsContact CE-CB 3.46Å; M36-T41 HydrophobicContact CE-CG2 4.4Å; M36-T41 WeakPolarHBondContact CE-OG1 3.41Å; M36-I45 HydrophobicContact CE-CD1 4.48Å
37A81.3Confident75.4Confident57 Ų5769 Ų6947%0.47136%0.364SS..SBendtrans-66.9-32.1-179.700000113.7G29 Q31G29-A37 PolarHBondContact O-N 2.87Å; Q31-A37 HydrophobicContact CG-CB 3.99Å
38T71Confident74.4Confident71 Ų7169.5 Ų69.544%0.43637%0.371SS..  trans-140.7153.5176.262.80000111.6M36 E40 T41M36-T38 PolarHBondContact O-N 3.28Å; T38-E40 PolarHBondContact O-N 2.95Å; T38-T41 PolarHBondContact O-OG1 3.27Å; T38-T41 PolarHBondContact OG1-OG1 3.02Å
39N60.8Low73.9Confident135 Ų13570.3 Ų70.372%0.72237%0.374SS*.THydrogen-bonded Turntrans-67.4-24.4173.2-78.2-20.4000112.3T41 K42N39-T41 VanDerWaalsContact C-N 3.29Å; N39-T41 PolarHBondContact O-N 3.39Å; N39-K42 WeakPolarHBondContact O-CB 3.29Å; N39-K42 PolarHBondContact O-N 3.49Å
40E54.2Low73.7Confident154 Ų15470.5 Ų70.572%0.7237%0.369SS*.THydrogen-bonded Turntrans-66.2-26.7-179.8-65-177.4175.300113.4T38 K42T38-E40 PolarHBondContact O-N 2.95Å; E40-K42 PolarHBondContact O-N 3.41Å
41T52.7Low73.6Confident33 Ų3370.4 Ų70.420%0.20237%0.369CS..Hα-helixtrans-70.5-17.3175.426.70000113.8M36 T38 N39 E43 K44 I45M36-T41 VanDerWaalsContact CE-CB 3.46Å; M36-T41 HydrophobicContact CE-CG2 4.4Å; M36-T41 WeakPolarHBondContact CE-OG1 3.41Å; T38-T41 PolarHBondContact O-OG1 3.27Å; T38-T41 PolarHBondContact OG1-OG1 3.02Å; N39-T41 VanDerWaalsContact C-N 3.29Å; N39-T41 PolarHBondContact O-N 3.39Å; T41-E43 VanDerWaalsContact C-N 3.32Å; T41-E43 PolarHBondContact O-N 3.33Å; T41-K44 PolarHBondContact O-N 3.09Å; T41-I45 PolarHBondContact O-N 3.44Å
42K50.4Low73.5Confident113 Ų11366.6 Ų66.649%0.49135%0.351SS..Hα-helixtrans-66.3-32.7178.8-70.7-168.7173.8-165.60113.1N39 E40N39-K42 WeakPolarHBondContact O-CB 3.29Å; N39-K42 PolarHBondContact O-N 3.49Å; E40-K42 PolarHBondContact O-N 3.41Å
43E48.7Very low73.5Confident187 Ų18764.3 Ų64.387%0.87434%0.336SS*.Hα-helixtrans-85.4-24.1-178.9-68.2-175.817000113T41T41-E43 VanDerWaalsContact C-N 3.32Å; T41-E43 PolarHBondContact O-N 3.33Å
44K50Low73.4Confident178 Ų17863.2 Ų63.277%0.77433%0.332SS*.Hα-helixtrans-88.8-22.8-174.5-78.7-176.4177.5174.20114.8T41T41-K44 PolarHBondContact O-N 3.09Å
45I54.4Low73.2Confident27 Ų2767.6 Ų67.614%0.13835%0.352CS..SBendtrans-109.989.1-179.6-52.3176.2000106.8H28 M36 T41 G47 A48 F49H28-I45 WeakPolarHBondContact O-CD1 3.33Å; M36-I45 HydrophobicContact CE-CD1 4.48Å; T41-I45 PolarHBondContact O-N 3.44Å; I45-G47 VanDerWaalsContact C-N 3.28Å; I45-G47 PolarHBondContact O-N 2.99Å; I45-A48 HydrophobicContact CG2-CB 3.97Å; I45-F49 HydrophobicContact CB-CD1 4.42Å; I45-F49 HydrophobicContact CG2-CD1 3.9Å
46D60.9Low73.1Confident149 Ų14968.1 Ų68.180%0.79736%0.356SS*.  trans-58.282.7179.2-17817.9000111.3A48D46-A48 PolarHBondContact O-N 2.89Å
47G67.3Low73Confident27 Ų2774.5 Ų74.528%0.27840%0.396SS..SBendtrans53.1817600000116.1I45 F49 N50I45-G47 VanDerWaalsContact C-N 3.28Å; I45-G47 PolarHBondContact O-N 2.99Å; G47-F49 PolarHBondContact O-N 2.84Å; G47-N50 WeakPolarHBondContact O-CB 3.39Å; G47-N50 PolarHBondContact O-N 3.34Å; G47-N50 PolarHBondContact O-ND2 3.17Å
48A73.4Confident73.4Confident22 Ų2275.6 Ų75.618%0.18240%0.401CS..G310 helixtrans-75.5-19.1-162.500000112.4I45 D46 N50 T51 R243I45-A48 HydrophobicContact CG2-CB 3.97Å; D46-A48 PolarHBondContact O-N 2.89Å; A48-N50 VanDerWaalsContact C-N 3.26Å; A48-N50 PolarHBondContact O-N 2.8Å; A48-T51 PolarHBondContact O-OG1 2.9Å; A48-R243 WeakPolarHBondContact CB-O 3.36Å
49F80.9Confident74.2Confident18 Ų1873 Ų738%0.07939%0.388CS..G310 helixtrans-65.3-26.7166.555.2-96.6000112.6I45 G47 T51 F52 F53 H61I45-F49 HydrophobicContact CB-CD1 4.42Å; I45-F49 HydrophobicContact CG2-CD1 3.9Å; G47-F49 PolarHBondContact O-N 2.84Å; F49-T51 PolarHBondContact O-N 2.73Å; F49-T51 VanDerWaalsContact O-N 3.09Å; F49-F52 PolarHBondContact O-N 3.46Å; F49-F53 HydrophobicContact CB-CD2 4.17Å; F49-F53 WeakPolarHBondContact O-CB 3.34Å; F49-F53 WeakPolarHBondContact O-CD2 3.27Å; F49-F53 PolarHBondContact O-N 3.15Å; F49-H61 AromaticContact CD2-CD2 3.47Å; F49-H61 VanDerWaalsContact CD2-CD2 3.47Å; F49-H61 WeakPolarHBondContact CD2-CD2 3.12Å; F49-H61 AromaticContact CD2-NE2 3.85Å; F49-H61 AromaticContact CE2-CD2 3.46Å; F49-H61 VanDerWaalsContact CE2-CD2 3.46Å; F49-H61 WeakPolarHBondContact CE2-CD2 3.41Å; F49-H61 AromaticContact CE2-NE2 3.39Å; F49-H61 WeakPolarHBondContact CE2-NE2 3.3Å; F49-H61 AromaticContact CZ-NE2 3.78Å
50N87Confident75.7Confident27 Ų2769 Ų6914%0.14436%0.364CS..G310 helixtrans-64.2-20.7-175.2-69.6-45.4000113.7M1 G47 A48 F52 F53 R64M1-N50 HydrophobicContact CE-CB 4.44Å; M1-N50 HydrophobicContact CG-CB 4.42Å; M1-N50 HydrophobicContact SD-CB 3.26Å; M1-N50 WeakPolarHBondContact SD-CB 3.36Å; G47-N50 WeakPolarHBondContact O-CB 3.39Å; G47-N50 PolarHBondContact O-N 3.34Å; G47-N50 PolarHBondContact O-ND2 3.17Å; A48-N50 VanDerWaalsContact C-N 3.26Å; A48-N50 PolarHBondContact O-N 2.8Å; N50-F52 PolarHBondContact O-N 3.21Å; N50-F53 CarbonylContact C-O 3.41Å; N50-F53 VanDerWaalsContact CA-O 3.25Å; N50-F53 WeakPolarHBondContact CA-O 3.46Å; N50-R64 PolarHBondContact O-NE 3Å; N50-R64 PolarHBondContact O-NH2 2.67Å
51T90.2Very high77.6Confident7 Ų761.9 Ų61.94%0.04333%0.331CS..G310 helixtrans-51.2-45.4170.1-61.30000110.8R2 E3 C4 A48 F49 L242 R243R2-T51 WeakPolarHBondContact O-CG2 3.48Å; E3-T51 WeakPolarHBondContact CA-O 3.4Å; C4-T51 PolarHBondContact N-O 3.48Å; A48-T51 PolarHBondContact O-OG1 2.9Å; F49-T51 PolarHBondContact O-N 2.73Å; F49-T51 VanDerWaalsContact O-N 3.09Å; T51-L242 HydrophobicContact CG2-CB 3.83Å; T51-L242 PolarHBondContact OG1-O 3.34Å; T51-R243 HydrophobicContact CG2-CG 4.28Å
52F93.8Very high79.7Confident0 Ų060.8 Ų60.80%032%0.324CS..THydrogen-bonded Turntrans-116.2-14.8-174-73.71.9000114.3C4 W21 Y24 F49 N50 R64 L136 T239 L242 R243C4-F52 HydrophobicContact CB-CD1 4.16Å; C4-F52 HydrophobicContact CB-CE1 3.76Å; W21-F52 HydrophobicContact CH2-CB 3.98Å; W21-F52 HydrophobicContact CZ3-CB 4.11Å; Y24-F52 HydrophobicContact CD2-CD2 4.07Å; Y24-F52 HydrophobicContact CD2-CE2 4.47Å; Y24-F52 HydrophobicContact CE1-CE2 4.19Å; Y24-F52 AromaticContact CE2-CD2 3.86Å; Y24-F52 HydrophobicContact CE2-CD2 3.86Å; Y24-F52 AromaticContact CE2-CE2 3.85Å; Y24-F52 HydrophobicContact CE2-CE2 3.85Å; Y24-F52 AromaticContact CZ-CE2 3.69Å; F49-F52 PolarHBondContact O-N 3.46Å; N50-F52 PolarHBondContact O-N 3.21Å; F52-R64 WeakPolarHBondContact O-CB 3.5Å; F52-R64 PolarHBondContact O-N 3.27Å; F52-L136 HydrophobicContact CE1-CD1 4.24Å; F52-L136 HydrophobicContact CZ-CD1 3.85Å; F52-T239 HydrophobicContact CE2-CG2 4.04Å; F52-T239 HydrophobicContact CZ-CG2 3.61Å; F52-L242 HydrophobicContact CE1-CD1 4.5Å; F52-R243 VanDerWaalsContact CD2-CD 3.46Å; F52-R243 HydrophobicContact CD2-CG 4.37Å; F52-R243 VanDerWaalsContact CE2-CD 3.42Å; F52-R243 HydrophobicContact CE2-CG 4.27Å; F52-R243 HydrophobicContact CZ-CG 4.44Å
53F94.7Very high81.9Confident0 Ų055.4 Ų55.40%030%0.301CS..EExtended strand (participates in β ladder)trans-118.5148.4179.3-63.3-94.7000110.3W21 H28 I30 F49 N50 H61 V62 P63 R64 L86W21-F53 HydrophobicContact CE3-CE1 4.15Å; W21-F53 AromaticContact CE3-CZ 3.85Å; W21-F53 HydrophobicContact CE3-CZ 3.85Å; W21-F53 AromaticContact CZ3-CE1 3.99Å; W21-F53 HydrophobicContact CZ3-CE1 3.99Å; W21-F53 HydrophobicContact CZ3-CE2 4Å; W21-F53 AromaticContact CZ3-CZ 3.7Å; W21-F53 HydrophobicContact CZ3-CZ 3.7Å; H28-F53 AromaticContact CD2-CE2 3.95Å; I30-F53 HydrophobicContact CD1-CD1 3.9Å; I30-F53 HydrophobicContact CD1-CD2 3.94Å; I30-F53 HydrophobicContact CD1-CE1 3.75Å; I30-F53 HydrophobicContact CD1-CE2 3.81Å; I30-F53 HydrophobicContact CD1-CG 3.99Å; I30-F53 HydrophobicContact CD1-CZ 3.71Å; F49-F53 HydrophobicContact CB-CD2 4.17Å; F49-F53 WeakPolarHBondContact O-CB 3.34Å; F49-F53 WeakPolarHBondContact O-CD2 3.27Å; F49-F53 PolarHBondContact O-N 3.15Å; N50-F53 CarbonylContact C-O 3.41Å; N50-F53 VanDerWaalsContact CA-O 3.25Å; N50-F53 WeakPolarHBondContact CA-O 3.46Å; F53-H61 HydrophobicContact CB-CB 4.1Å; F53-H61 HydrophobicContact CD1-CB 4.01Å; F53-H61 HydrophobicContact CG-CB 4.29Å; F53-V62 CarbonylContact C-O 3.53Å; F53-V62 WeakPolarHBondContact CA-O 3.45Å; F53-P63 HydrophobicContact CD1-CG 4.09Å; F53-P63 HydrophobicContact CE1-CG 3.8Å; F53-R64 PolarHBondContact O-NE 3.46Å; F53-R64 PolarHBondContact O-NH2 3.4Å; F53-L86 HydrophobicContact CE1-CD1 4.46Å
54T92.8Very high84.2Confident26 Ų2647 Ų4716%0.1626%0.261CS..EExtended strand (participates in β ladder)trans-101.8120.9166.4-55.10000107.7M56 V62 R64T54-M56 HydrophobicContact CG2-SD 4.33Å; T54-M56 PolarHBondContact O-N 3.32Å; T54-V62 PolarHBondContact N-O 3.42Å; T54-V62 PolarHBondContact O-N 3.45Å; T54-R64 PolarHBondContact OG1-NH1 2.98Å
55E90.7Very high86.5Confident93 Ų9338.5 Ų38.544%0.43522%0.224SC..EExtended strand (participates in β ladder)trans-77.6118171.4-171.5178-174.800109.7
56M90.4Very high88.6Confident81 Ų8137.2 Ų37.240%0.39922%0.218SC..PPolyproline II helixtrans-83.2160176.4-56.5-62.7-79.100110.3T54 S58 G59 K60 V62T54-M56 HydrophobicContact CG2-SD 4.33Å; T54-M56 PolarHBondContact O-N 3.32Å; M56-S58 PolarHBondContact O-N 2.98Å; M56-G59 WeakPolarHBondContact O-CA 3.39Å; M56-G59 PolarHBondContact O-N 3Å; M56-K60 HydrophobicContact CB-CB 4.44Å; M56-K60 WeakPolarHBondContact CB-O 3.46Å; M56-K60 WeakPolarHBondContact CG-O 3.42Å; M56-K60 PolarHBondContact N-O 3.49Å; M56-V62 HydrophobicContact CG-CG2 3.71Å; M56-V62 HydrophobicContact SD-CG2 4.39Å
57T87.5Confident90.4Very high160 Ų16030.1 Ų30.198%0.98218%0.18SC*.THydrogen-bonded Turntrans-57.3-23.2176.553.10000114.1G59T57-G59 PolarHBondContact O-N 3.11Å
58S88.8Confident91.9Very high80 Ų8028.9 Ų28.956%0.55917%0.167SC*.THydrogen-bonded Turntrans-76.4-1.1173.459.10000114.3M56 K60M56-S58 PolarHBondContact O-N 2.98Å; S58-K60 PolarHBondContact O-N 3.07Å; S58-K60 WeakPolarHBondContact OG-CB 3.34Å
59G88.3Confident93Very high17 Ų1728 Ų2818%0.17516%0.159CC..SBendtrans72.715.3-171.800000113.7H35 M56 T57H35-G59 PolarHBondContact ND1-O 2.67Å; M56-G59 WeakPolarHBondContact O-CA 3.39Å; M56-G59 PolarHBondContact O-N 3Å; T57-G59 PolarHBondContact O-N 3.11Å
60K93.2Very high93.8Very high51 Ų5127.1 Ų27.122%0.22216%0.155CC..  trans-87.2133.1174-175.7-176.7177-171.90109.6N33 M56 S58 V62 Q85N33-K60 VanDerWaalsContact O-CE 3.31Å; N33-K60 WeakPolarHBondContact O-CE 3.33Å; M56-K60 HydrophobicContact CB-CB 4.44Å; M56-K60 WeakPolarHBondContact CB-O 3.46Å; M56-K60 WeakPolarHBondContact CG-O 3.42Å; M56-K60 PolarHBondContact N-O 3.49Å; S58-K60 PolarHBondContact O-N 3.07Å; S58-K60 WeakPolarHBondContact OG-CB 3.34Å; K60-V62 HydrophobicContact CD-CG2 4.17Å; K60-V62 HydrophobicContact CG-CG2 4.22Å; K60-Q85 WeakPolarHBondContact CE-O 3.5Å; K60-Q85 PolarHBondContact NZ-O 2.85Å
61H94.1Very high94.2Very high3 Ų328.3 Ų28.31%0.01416%0.16CC..EExtended strand (participates in β ladder)trans-95.4117.2175-58.380.8000108.7I30 G34 F49 F53I30-H61 HydrophobicContact CD1-CB 3.94Å; G34-H61 PolarHBondContact O-N 2.75Å; G34-H61 PolarHBondContact O-ND1 3.11Å; F49-H61 AromaticContact CD2-CD2 3.47Å; F49-H61 VanDerWaalsContact CD2-CD2 3.47Å; F49-H61 WeakPolarHBondContact CD2-CD2 3.12Å; F49-H61 AromaticContact CD2-NE2 3.85Å; F49-H61 AromaticContact CE2-CD2 3.46Å; F49-H61 VanDerWaalsContact CE2-CD2 3.46Å; F49-H61 WeakPolarHBondContact CE2-CD2 3.41Å; F49-H61 AromaticContact CE2-NE2 3.39Å; F49-H61 WeakPolarHBondContact CE2-NE2 3.3Å; F49-H61 AromaticContact CZ-NE2 3.78Å; F53-H61 HydrophobicContact CB-CB 4.1Å; F53-H61 HydrophobicContact CD1-CB 4.01Å; F53-H61 HydrophobicContact CG-CB 4.29Å
62V96.1Very high94.4Very high11 Ų1130 Ų307%0.06717%0.171CC..EExtended strand (participates in β ladder)trans-109.3126.2-178.7-179.90000108.9F53 T54 M56 K60 H88F53-V62 CarbonylContact C-O 3.53Å; F53-V62 WeakPolarHBondContact CA-O 3.45Å; T54-V62 PolarHBondContact N-O 3.42Å; T54-V62 PolarHBondContact O-N 3.45Å; M56-V62 HydrophobicContact CG-CG2 3.71Å; M56-V62 HydrophobicContact SD-CG2 4.39Å; K60-V62 HydrophobicContact CD-CG2 4.17Å; K60-V62 HydrophobicContact CG-CG2 4.22Å; V62-H88 HydrophobicContact CG1-CB 4.09Å
63P97.2Very high94.4Very high0 Ų034.8 Ų34.80%020%0.197CC..EExtended strand (participates in β ladder)trans-53.6140175.2-31.839000113.7W21 F53 A65 L86 F87 Q91W21-P63 HydrophobicContact CD2-CB 4.03Å; W21-P63 HydrophobicContact CD2-CG 4.23Å; W21-P63 HydrophobicContact CE3-CB 3.74Å; W21-P63 HydrophobicContact CE3-CG 3.8Å; W21-P63 HydrophobicContact CH2-CB 3.67Å; W21-P63 HydrophobicContact CZ2-CB 3.94Å; W21-P63 HydrophobicContact CZ3-CB 3.55Å; W21-P63 HydrophobicContact CZ3-CG 3.98Å; F53-P63 HydrophobicContact CD1-CG 4.09Å; F53-P63 HydrophobicContact CE1-CG 3.8Å; P63-A65 HydrophobicContact CB-CB 3.86Å; P63-A65 PolarHBondContact O-N 3.07Å; P63-L86 WeakPolarHBondContact CD-O 3.49Å; P63-L86 HydrophobicContact CG-CD1 4.14Å; P63-L86 HydrophobicContact CG-CD2 3.69Å; P63-L86 HydrophobicContact CG-CG 3.6Å; P63-F87 HydrophobicContact CB-CD1 3.92Å; P63-F87 HydrophobicContact CB-CE1 3.92Å; P63-F87 HydrophobicContact CG-CD1 3.75Å; P63-F87 HydrophobicContact CG-CE1 3.68Å; P63-Q91 PolarHBondContact O-OE1 3.03Å
64R96.8Very high94.5Very high9 Ų935.1 Ų35.13%0.03420%0.198CC..SBendtrans-80.561.8164.1-61.2180-165.4-93.64.4108.8E3 C4 I5 S6 N50 F52 F53 T54 Q128 C129E3-R64 IonicContact OE1-CZ 2.77Å; E3-R64 VanDerWaalsContact OE1-CZ 3.24Å; E3-R64 IonicContact OE1-NH1 2.87Å; E3-R64 PolarHBondContact OE1-NH1 3.14Å; E3-R64 IonicContact OE1-NH2 3.9Å; E3-R64 PolarHBondContact OE1-NH2 2.96Å; C4-R64 WeakPolarHBondContact O-CB 3.26Å; I5-R64 WeakPolarHBondContact CA-O 3.48Å; S6-R64 PolarHBondContact N-O 3.37Å; N50-R64 PolarHBondContact O-NE 3Å; N50-R64 PolarHBondContact O-NH2 2.67Å; F52-R64 WeakPolarHBondContact O-CB 3.5Å; F52-R64 PolarHBondContact O-N 3.27Å; F53-R64 PolarHBondContact O-NE 3.46Å; F53-R64 PolarHBondContact O-NH2 3.4Å; T54-R64 PolarHBondContact OG1-NH1 2.98Å; R64-Q128 PolarHBondContact NH1-O 3.33Å; R64-C129 PolarHBondContact NH1-SG 3.21Å
65A97.9Very high94.7Very high0 Ų033.9 Ų33.90%019%0.191CC..EExtended strand (participates in β ladder)trans-124.1140.4-175.700000110S6 W21 P63 F67 F87 Q91S6-A65 CarbonylContact O-C 3.53Å; S6-A65 VanDerWaalsContact O-CA 3.31Å; S6-A65 WeakPolarHBondContact O-CA 3.23Å; W21-A65 HydrophobicContact CH2-CB 4.44Å; W21-A65 HydrophobicContact CZ2-CB 3.51Å; P63-A65 HydrophobicContact CB-CB 3.86Å; P63-A65 PolarHBondContact O-N 3.07Å; A65-F67 HydrophobicContact CB-CD2 4.32Å; A65-F67 HydrophobicContact CB-CE2 3.73Å; A65-F87 HydrophobicContact CB-CD1 4.39Å; A65-F87 HydrophobicContact CB-CE1 4.35Å; A65-Q91 VanDerWaalsContact O-CB 3.25Å; A65-Q91 WeakPolarHBondContact O-CB 3.49Å; A65-Q91 WeakPolarHBondContact O-CG 3.42Å; A65-Q91 PolarHBondContact O-OE1 2.84Å
66I98.5Very high95Very high0 Ų032.3 Ų32.30%019%0.185CC..EExtended strand (participates in β ladder)trans-123.4125.1168.9-57.2174.8000106.9I5 S6 L7 H8 V68 Q91 I93 R121 V122I5-I66 HydrophobicContact CG2-CD1 4.49Å; S6-I66 PolarHBondContact O-N 2.82Å; L7-I66 HydrophobicContact CD2-CB 3.92Å; L7-I66 HydrophobicContact CD2-CD1 3.99Å; L7-I66 HydrophobicContact CD2-CG1 4.26Å; H8-I66 PolarHBondContact N-O 3.5Å; I66-V68 HydrophobicContact CG2-CG2 3.79Å; I66-Q91 WeakPolarHBondContact CA-O 2.93Å; I66-Q91 HydrophobicContact CG1-CG 4.33Å; I66-I93 HydrophobicContact CG2-CD1 3.77Å; I66-I93 HydrophobicContact CG2-CG1 4.48Å; I66-R121 HydrophobicContact CD1-CB 4.04Å; I66-V122 HydrophobicContact CD1-CB 4.29Å; I66-V122 HydrophobicContact CD1-CG2 3.66Å
67F98.7Very high95.3Very high0 Ų033.6 Ų33.60%019%0.19CC..EExtended strand (participates in β ladder)trans-105.1129.3175.2-66.9-99000108.2H8 V14 W21 A65 V78 F87 Q91 L92 I93H8-F67 HydrophobicContact CB-CD1 3.49Å; H8-F67 VanDerWaalsContact CB-CD1 3.49Å; H8-F67 HydrophobicContact CB-CE1 3.77Å; H8-F67 HydrophobicContact CB-CG 4.1Å; H8-F67 AromaticContact CD2-CE1 3.78Å; H8-F67 AromaticContact CD2-CZ 3.74Å; H8-F67 AromaticContact CG-CD1 3.98Å; H8-F67 AromaticContact CG-CE1 3.74Å; H8-F67 WeakPolarHBondContact O-CA 3.25Å; V14-F67 HydrophobicContact CB-CD1 4.19Å; V14-F67 HydrophobicContact CG1-CD1 3.84Å; V14-F67 HydrophobicContact CG1-CE1 4.38Å; V14-F67 HydrophobicContact CG2-CB 4.45Å; V14-F67 HydrophobicContact CG2-CD1 4.08Å; W21-F67 AromaticContact CD1-CZ 3.69Å; W21-F67 AromaticContact NE1-CZ 3.92Å; A65-F67 HydrophobicContact CB-CD2 4.32Å; A65-F67 HydrophobicContact CB-CE2 3.73Å; F67-V78 HydrophobicContact CE1-CG2 4.49Å; F67-F87 HydrophobicContact CD2-CD1 4.43Å; F67-F87 AromaticContact CE2-CD1 3.59Å; F67-F87 HydrophobicContact CE2-CD1 3.59Å; F67-F87 AromaticContact CE2-CE1 3.44Å; F67-F87 HydrophobicContact CE2-CE1 3.44Å; F67-F87 VanDerWaalsContact CE2-CE1 3.44Å; F67-F87 HydrophobicContact CE2-CG 4.21Å; F67-F87 AromaticContact CE2-CZ 3.93Å; F67-F87 HydrophobicContact CE2-CZ 3.93Å; F67-F87 HydrophobicContact CZ-CD1 4.35Å; F67-F87 AromaticContact CZ-CE1 3.76Å; F67-F87 HydrophobicContact CZ-CE1 3.76Å; F67-F87 AromaticContact CZ-CZ 3.84Å; F67-F87 HydrophobicContact CZ-CZ 3.84Å; F67-Q91 PolarHBondContact N-O 2.92Å; F67-L92 HydrophobicContact CB-CD2 3.82Å; F67-L92 HydrophobicContact CD2-CD2 3.51Å; F67-L92 HydrophobicContact CE2-CD2 4.33Å; F67-L92 HydrophobicContact CG-CD2 3.87Å; F67-I93 PolarHBondContact O-N 2.9Å
68V98.3Very high95.7Very high2 Ų226.1 Ų26.11%0.01215%0.145CC..EExtended strand (participates in β ladder)trans-133.7127.1-177.9-168.70000109.4H8 I9 G10 I66 I93 I114 V118 F149H8-V68 PolarHBondContact O-N 3.48Å; I9-V68 WeakPolarHBondContact CA-O 3.36Å; G10-V68 PolarHBondContact N-O 3.15Å; I66-V68 HydrophobicContact CG2-CG2 3.79Å; V68-I93 WeakPolarHBondContact CA-O 3.36Å; V68-I93 HydrophobicContact CG2-CB 4.37Å; V68-I93 HydrophobicContact CG2-CD1 4.37Å; V68-I114 HydrophobicContact CG1-CD1 3.67Å; V68-V118 HydrophobicContact CG1-CG2 3.8Å; V68-V118 HydrophobicContact CG2-CG1 3.96Å; V68-V118 HydrophobicContact CG2-CG2 3.88Å; V68-F149 HydrophobicContact CB-CE1 4.22Å; V68-F149 HydrophobicContact CG1-CD1 4.22Å; V68-F149 HydrophobicContact CG1-CE1 3.61Å; V68-F149 HydrophobicContact CG1-CZ 4.15Å
69D97.9Very high96.1Very high3 Ų326.1 Ų26.12%0.01613%0.132CC..EExtended strand (participates in β ladder)trans-139.2154.7159.7-152.5-27.1000110.1G10 Q11 E71 V74 V75 I93 T94 G95 T145G10-D69 VanDerWaalsContact C-OD2 3.25Å; G10-D69 WeakPolarHBondContact CA-OD2 3.23Å; Q11-D69 PolarHBondContact N-OD2 3.13Å; D69-E71 VanDerWaalsContact C-N 3.26Å; D69-E71 WeakPolarHBondContact CB-O 3.31Å; D69-V74 HydrophobicContact CB-CG1 3.96Å; D69-V74 WeakPolarHBondContact OD2-CG1 3.34Å; D69-V75 HydrophobicContact CB-CG2 3.9Å; D69-I93 PolarHBondContact N-O 3.19Å; D69-T94 CarbonylContact O-C 3.52Å; D69-T94 VanDerWaalsContact O-CA 3.23Å; D69-T94 WeakPolarHBondContact O-CA 3.43Å; D69-G95 PolarHBondContact O-N 3.4Å; D69-T145 PolarHBondContact OD1-OG1 3.46Å
70L97.1Very high96.5Very high0 Ų030.1 Ų30.10%016%0.157CC..SBendtrans-77.1-20178.6-64.8169.3000111.2G95 K96 E97 A99 V110 I114 T145 F149L70-G95 CarbonylContact O-C 3.51Å; L70-G95 WeakPolarHBondContact O-CA 3.36Å; L70-G95 PolarHBondContact O-N 3.1Å; L70-K96 PolarHBondContact O-N 3Å; L70-E97 CarbonylContact C-O 3.58Å; L70-E97 WeakPolarHBondContact CB-O 3.37Å; L70-E97 CarbonylContact O-C 3.55Å; L70-E97 PolarHBondContact O-N 3.39Å; L70-A99 HydrophobicContact CD1-CB 3.84Å; L70-V110 HydrophobicContact CB-CG1 4.3Å; L70-V110 HydrophobicContact CD2-CB 4.48Å; L70-V110 HydrophobicContact CD2-CG1 3.92Å; L70-V110 HydrophobicContact CG-CG1 4.47Å; L70-I114 HydrophobicContact CD2-CD1 3.27Å; L70-I114 HydrophobicContact CD2-CG1 3.55Å; L70-I114 HydrophobicContact CG-CD1 4.32Å; L70-T145 HydrophobicContact CD1-CG2 4.01Å; L70-T145 HydrophobicContact CG-CG2 3.85Å; L70-F149 HydrophobicContact CD1-CB 4.36Å
71E94.5Very high96.6Very high51 Ų5129.1 Ų29.124%0.23816%0.161CC..SBendtrans-116.4159170.766.3170.7139.100112.4D69 N73 D98D69-E71 VanDerWaalsContact C-N 3.26Å; D69-E71 WeakPolarHBondContact CB-O 3.31Å; E71-N73 PolarHBondContact OE2-ND2 3.19Å; E71-D98 HydrophobicContact CB-CB 3.94Å; E71-D98 HydrophobicContact CG-CB 4.21Å
72P94.7Very high96.6Very high43 Ų4334.4 Ų34.428%0.27919%0.193SC..SBendtrans-79.2-22.7-17230.2-35.9000115V74 V75 D76 T94P72-V74 PolarHBondContact O-N 3.42Å; P72-V75 PolarHBondContact O-N 3.39Å; P72-D76 VanDerWaalsContact O-CB 3.31Å; P72-D76 WeakPolarHBondContact O-CB 3.47Å; P72-D76 PolarHBondContact O-N 3.33Å; P72-T94 HydrophobicContact CB-CG2 4.41Å
73N94.9Very high96.6Very high101 Ų10134.9 Ų34.954%0.5419%0.194SC..Hα-helixtrans-51.9-58.1-162-72.7-35.8000114.4E71 D76 E77E71-N73 PolarHBondContact OE2-ND2 3.19Å; N73-D76 PolarHBondContact O-N 3.05Å; N73-E77 PolarHBondContact O-N 3.24Å
74V96Very high96.5Very high6 Ų640.5 Ų40.54%0.03622%0.219CC..Hα-helixtrans-72.3-32.7-174.572.30000112.9Q11 V14 Q15 D69 P72 E77Q11-V74 HydrophobicContact CG-CB 4.39Å; Q11-V74 HydrophobicContact CG-CG2 4.12Å; V14-V74 HydrophobicContact CB-CG1 3.93Å; V14-V74 HydrophobicContact CB-CG2 3.89Å; V14-V74 HydrophobicContact CG1-CB 4.36Å; V14-V74 HydrophobicContact CG1-CG1 4.02Å; V14-V74 HydrophobicContact CG1-CG2 3.71Å; V14-V74 HydrophobicContact CG2-CG1 3.98Å; Q15-V74 HydrophobicContact CG-CG2 3.72Å; D69-V74 HydrophobicContact CB-CG1 3.96Å; D69-V74 WeakPolarHBondContact OD2-CG1 3.34Å; P72-V74 PolarHBondContact O-N 3.42Å; V74-E77 WeakPolarHBondContact O-CB 3.12Å; V74-E77 PolarHBondContact O-N 2.98Å
75V97.5Very high96.4Very high0 Ų045.6 Ų45.60%024%0.243CC..Hα-helixtrans-75.8-31.3178179.90000110.2V14 D69 P72 E77 V78 R79 L92 T94V14-V75 HydrophobicContact CG1-CG2 4.46Å; V14-V75 HydrophobicContact CG2-CG2 4.03Å; D69-V75 HydrophobicContact CB-CG2 3.9Å; P72-V75 PolarHBondContact O-N 3.39Å; V75-E77 VanDerWaalsContact C-N 3.26Å; V75-E77 PolarHBondContact O-N 2.71Å; V75-V78 WeakPolarHBondContact O-CA 3.44Å; V75-V78 WeakPolarHBondContact O-CB 3.45Å; V75-V78 PolarHBondContact O-N 3.4Å; V75-R79 PolarHBondContact O-N 3.29Å; V75-L92 HydrophobicContact CG1-CB 3.77Å; V75-L92 HydrophobicContact CG1-CD2 4.42Å; V75-T94 HydrophobicContact CB-CG2 3.4Å; V75-T94 VanDerWaalsContact CB-CG2 3.4Å; V75-T94 HydrophobicContact CG1-CG2 3.67Å; V75-T94 HydrophobicContact CG2-CG2 3.74Å
76D96.8Very high96.3Very high60 Ų6045.6 Ų45.632%0.32124%0.243SC..Hα-helixtrans-63.1-31.8172.1-81.7-14.2000112.2P72 N73 V78 R79 C80P72-D76 VanDerWaalsContact O-CB 3.31Å; P72-D76 WeakPolarHBondContact O-CB 3.47Å; P72-D76 PolarHBondContact O-N 3.33Å; N73-D76 PolarHBondContact O-N 3.05Å; D76-V78 VanDerWaalsContact C-N 3.26Å; D76-V78 PolarHBondContact O-N 3.36Å; D76-R79 CarbonylContact O-C 3.6Å; D76-R79 PolarHBondContact O-N 2.82Å; D76-R79 VanDerWaalsContact O-N 3.16Å; D76-R79 WeakPolarHBondContact OD1-CD 3.37Å; D76-R79 IonicContact OD1-CZ 2.66Å; D76-R79 IonicContact OD1-NE 2.98Å; D76-R79 IonicContact OD1-NH1 3.88Å; D76-R79 PolarHBondContact OD1-NH1 3.1Å; D76-C80 WeakPolarHBondContact O-CB 3.35Å; D76-C80 PolarHBondContact O-N 3Å; D76-C80 PolarHBondContact O-SG 3.08Å; D76-C80 VanDerWaalsContact O-SG 3.35Å
77E96.5Very high96.3Very high108 Ų10845.9 Ų45.951%0.50524%0.244SC..Hα-helixtrans-59.9-37.8170.1-63.1-179.8178.600111.5N73 V74 V75 G81N73-E77 PolarHBondContact O-N 3.24Å; V74-E77 WeakPolarHBondContact O-CB 3.12Å; V74-E77 PolarHBondContact O-N 2.98Å; V75-E77 VanDerWaalsContact C-N 3.26Å; V75-E77 PolarHBondContact O-N 2.71Å; E77-G81 VanDerWaalsContact O-CA 3.28Å; E77-G81 WeakPolarHBondContact O-CA 3.41Å; E77-G81 PolarHBondContact O-N 2.92Å
78V96.6Very high96.1Very high4 Ų449.1 Ų49.12%0.02426%0.259CS..Hα-helixtrans-69.2-41.7173.9-1760000110.8V14 F67 V75 D76 C80 K84 F87 L92V14-V78 HydrophobicContact CG1-CG2 3.77Å; F67-V78 HydrophobicContact CE1-CG2 4.49Å; V75-V78 WeakPolarHBondContact O-CA 3.44Å; V75-V78 WeakPolarHBondContact O-CB 3.45Å; V75-V78 PolarHBondContact O-N 3.4Å; D76-V78 VanDerWaalsContact C-N 3.26Å; D76-V78 PolarHBondContact O-N 3.36Å; V78-C80 VanDerWaalsContact C-N 3.27Å; V78-C80 PolarHBondContact O-N 3.46Å; V78-K84 WeakPolarHBondContact O-CA 3.48Å; V78-F87 HydrophobicContact CG1-CD2 3.5Å; V78-F87 HydrophobicContact CG1-CE2 3.6Å; V78-F87 HydrophobicContact CG1-CG 4.41Å; V78-L92 HydrophobicContact CG1-CD1 4.44Å; V78-L92 HydrophobicContact CG1-CD2 4.09Å
79R96.6Very high96Very high79 Ų7953.9 Ų53.930%0.29829%0.29SS..Hα-helixtrans-65.1-27.9177.6-66.6177.8-174.7137.4-2.7113.2V75 D76 K84 L92 T94V75-R79 PolarHBondContact O-N 3.29Å; D76-R79 CarbonylContact O-C 3.6Å; D76-R79 PolarHBondContact O-N 2.82Å; D76-R79 VanDerWaalsContact O-N 3.16Å; D76-R79 WeakPolarHBondContact OD1-CD 3.37Å; D76-R79 IonicContact OD1-CZ 2.66Å; D76-R79 IonicContact OD1-NE 2.98Å; D76-R79 IonicContact OD1-NH1 3.88Å; D76-R79 PolarHBondContact OD1-NH1 3.1Å; R79-K84 WeakPolarHBondContact O-CB 3.17Å; R79-L92 HydrophobicContact CG-CB 4.5Å; R79-L92 HydrophobicContact CG-CD1 3.56Å; R79-L92 PolarHBondContact NH2-O 3.34Å; R79-T94 PolarHBondContact NH1-OG1 2.82Å; R79-T94 VanDerWaalsContact NH2-CG2 3.32Å; R79-T94 PolarHBondContact NH2-OG1 3.46Å
80C96.3Very high95.9Very high101 Ų10158.3 Ų58.368%0.68231%0.311SS*.Hα-helixtrans-104.5-14.2-178-61.40000113.6D76 V78D76-C80 WeakPolarHBondContact O-CB 3.35Å; D76-C80 PolarHBondContact O-N 3Å; D76-C80 PolarHBondContact O-SG 3.08Å; D76-C80 VanDerWaalsContact O-SG 3.35Å; V78-C80 VanDerWaalsContact C-N 3.27Å; V78-C80 PolarHBondContact O-N 3.46Å
81G94.5Very high95.9Very high30 Ų3059.3 Ų59.331%0.30932%0.315SS..SBendtrans-75.7-176.1-173.700000115E77 Y83 K84E77-G81 VanDerWaalsContact O-CA 3.28Å; E77-G81 WeakPolarHBondContact O-CA 3.41Å; E77-G81 PolarHBondContact O-N 2.92Å; G81-Y83 PolarHBondContact O-N 2.84Å; G81-K84 VanDerWaalsContact O-CB 3.31Å; G81-K84 WeakPolarHBondContact O-CB 3.37Å; G81-K84 WeakPolarHBondContact O-CG 3.4Å; G81-K84 PolarHBondContact O-N 2.91Å; G81-K84 VanDerWaalsContact O-N 3.12Å
82T94.8Very high96.1Very high114 Ų11457.5 Ų57.570%0.69931%0.307SS*.THydrogen-bonded Turntrans-55.3-37.9-178.2-52.40000112.7P32P32-T82 HydrophobicContact CB-CG2 4.24Å; P32-T82 WeakPolarHBondContact CB-O 3.26Å; P32-T82 HydrophobicContact CG-CG2 4.15Å
83Y95.5Very high96.3Very high21 Ų2155.9 Ų55.98%0.08230%0.296CS..THydrogen-bonded Turntrans-95.317.4-177.1-68-86.9000113.7E22 C25 P32 G81 Q85 L86E22-Y83 HydrophobicContact CB-CE2 3.88Å; E22-Y83 HydrophobicContact CG-CE2 4.08Å; C25-Y83 HydrophobicContact CB-CE1 3.87Å; P32-Y83 HydrophobicContact CB-CD1 3.69Å; P32-Y83 HydrophobicContact CB-CE1 3.83Å; P32-Y83 HydrophobicContact CB-CG 4.26Å; P32-Y83 HydrophobicContact CG-CD1 4.23Å; P32-Y83 HydrophobicContact CG-CE1 3.83Å; G81-Y83 PolarHBondContact O-N 2.84Å; Y83-Q85 PolarHBondContact O-N 2.8Å; Y83-L86 HydrophobicContact CD1-CB 4.36Å; Y83-L86 HydrophobicContact CD1-CD2 3.78Å; Y83-L86 HydrophobicContact CG-CD2 4.45Å; Y83-L86 WeakPolarHBondContact O-CB 3.49Å; Y83-L86 PolarHBondContact O-N 3.38Å
84K94.9Very high96.4Very high118 Ų11853 Ų5351%0.51328%0.282SS..THydrogen-bonded Turntrans-54.3-27.6-178.365.5-175.4-177.5-175.90115.3V78 R79 G81V78-K84 WeakPolarHBondContact O-CA 3.48Å; R79-K84 WeakPolarHBondContact O-CB 3.17Å; G81-K84 VanDerWaalsContact O-CB 3.31Å; G81-K84 WeakPolarHBondContact O-CB 3.37Å; G81-K84 WeakPolarHBondContact O-CG 3.4Å; G81-K84 PolarHBondContact O-N 2.91Å; G81-K84 VanDerWaalsContact O-N 3.12Å
85Q95.5Very high96.3Very high117 Ų11753.3 Ų53.355%0.54729%0.286SS..THydrogen-bonded Turntrans-88.3-11.3178.8-71.2-178.8-4.700112.7N33 K60 Y83N33-Q85 HydrophobicContact CB-CB 4.44Å; K60-Q85 WeakPolarHBondContact CE-O 3.5Å; K60-Q85 PolarHBondContact NZ-O 2.85Å; Y83-Q85 PolarHBondContact O-N 2.8Å
86L97Very high96Very high0 Ų063 Ų630%033%0.328CS..THydrogen-bonded Turntrans-73.3-50.9-176.7-177.266.1000111.4C25 I30 P32 F53 P63 Y83C25-L86 VanDerWaalsContact SG-CD2 3.57Å; I30-L86 HydrophobicContact CG2-CD1 4.23Å; P32-L86 PolarHBondContact O-N 2.62Å; F53-L86 HydrophobicContact CE1-CD1 4.46Å; P63-L86 WeakPolarHBondContact CD-O 3.49Å; P63-L86 HydrophobicContact CG-CD1 4.14Å; P63-L86 HydrophobicContact CG-CD2 3.69Å; P63-L86 HydrophobicContact CG-CG 3.6Å; Y83-L86 HydrophobicContact CD1-CB 4.36Å; Y83-L86 HydrophobicContact CD1-CD2 3.78Å; Y83-L86 HydrophobicContact CG-CD2 4.45Å; Y83-L86 WeakPolarHBondContact O-CB 3.49Å; Y83-L86 PolarHBondContact O-N 3.38Å
87F96.8Very high95.6Very high5 Ų565 Ų652%0.02234%0.336CS..SBendtrans-80.7151.3-171-56.5-74.2000112.8W21 P63 A65 F67 V78 L92W21-F87 HydrophobicContact CB-CE1 4.19Å; W21-F87 HydrophobicContact CB-CZ 3.78Å; W21-F87 AromaticContact CD1-CE1 3.75Å; W21-F87 AromaticContact CD1-CZ 3.89Å; W21-F87 HydrophobicContact CD2-CE1 4.16Å; W21-F87 AromaticContact CG-CE1 3.77Å; W21-F87 HydrophobicContact CG-CE1 3.77Å; W21-F87 AromaticContact CG-CZ 3.83Å; W21-F87 HydrophobicContact CG-CZ 3.83Å; P63-F87 HydrophobicContact CB-CD1 3.92Å; P63-F87 HydrophobicContact CB-CE1 3.92Å; P63-F87 HydrophobicContact CG-CD1 3.75Å; P63-F87 HydrophobicContact CG-CE1 3.68Å; A65-F87 HydrophobicContact CB-CD1 4.39Å; A65-F87 HydrophobicContact CB-CE1 4.35Å; F67-F87 HydrophobicContact CD2-CD1 4.43Å; F67-F87 AromaticContact CE2-CD1 3.59Å; F67-F87 HydrophobicContact CE2-CD1 3.59Å; F67-F87 AromaticContact CE2-CE1 3.44Å; F67-F87 HydrophobicContact CE2-CE1 3.44Å; F67-F87 VanDerWaalsContact CE2-CE1 3.44Å; F67-F87 HydrophobicContact CE2-CG 4.21Å; F67-F87 AromaticContact CE2-CZ 3.93Å; F67-F87 HydrophobicContact CE2-CZ 3.93Å; F67-F87 HydrophobicContact CZ-CD1 4.35Å; F67-F87 AromaticContact CZ-CE1 3.76Å; F67-F87 HydrophobicContact CZ-CE1 3.76Å; F67-F87 AromaticContact CZ-CZ 3.84Å; F67-F87 HydrophobicContact CZ-CZ 3.84Å; V78-F87 HydrophobicContact CG1-CD2 3.5Å; V78-F87 HydrophobicContact CG1-CE2 3.6Å; V78-F87 HydrophobicContact CG1-CG 4.41Å; F87-L92 HydrophobicContact CB-CD1 4.33Å; F87-L92 HydrophobicContact CB-CD2 4.09Å; F87-L92 HydrophobicContact CB-CG 4.35Å; F87-L92 HydrophobicContact CG-CD2 4.43Å
88H95.7Very high95.3Very high69 Ų6963.2 Ų63.232%0.31933%0.33SS..  trans-72.4127.3171.6-165.8-79.9000109.4V62 E90 Q91V62-H88 HydrophobicContact CG1-CB 4.09Å; H88-E90 IonicContact CE1-OE2 2.87Å; H88-E90 PolarHBondContact CE1-OE2 3.37Å; H88-E90 WeakPolarHBondContact ND1-CB 3.23Å; H88-E90 PolarHBondContact ND1-N 3.35Å; H88-E90 PolarHBondContact O-N 2.68Å; H88-E90 VanDerWaalsContact O-N 3.13Å; H88-Q91 HydrophobicContact CB-CB 4.23Å; H88-Q91 HydrophobicContact CB-CG 3.89Å; H88-Q91 WeakPolarHBondContact O-CB 3.41Å; H88-Q91 PolarHBondContact O-N 2.75Å
89P96.1Very high95Very high101 Ų10163.2 Ų63.266%0.65633%0.33SS*.G310 helixtrans-55.9-36.7-176.5-28.435.4000113.7Q91 L92P89-Q91 PolarHBondContact O-N 3.3Å; P89-L92 PolarHBondContact O-N 3.37Å; P89-L92 VanDerWaalsContact O-N 3.16Å
90E96.5Very high94.8Very high96 Ų9662.3 Ų62.345%0.44934%0.34SS..G310 helixtrans-74.6-8.4178.6-55.2-171.5119.700115.1H88 R121H88-E90 IonicContact CE1-OE2 2.87Å; H88-E90 PolarHBondContact CE1-OE2 3.37Å; H88-E90 WeakPolarHBondContact ND1-CB 3.23Å; H88-E90 PolarHBondContact ND1-N 3.35Å; H88-E90 PolarHBondContact O-N 2.68Å; H88-E90 VanDerWaalsContact O-N 3.13Å; E90-R121 VanDerWaalsContact CB-CZ 3.45Å; E90-R121 VanDerWaalsContact CD-CZ 3.44Å; E90-R121 PolarHBondContact O-NE 3.36Å; E90-R121 IonicContact OE1-CZ 3.88Å; E90-R121 IonicContact OE1-NH1 3.39Å; E90-R121 PolarHBondContact OE1-NH1 2.84Å; E90-R121 IonicContact OE1-NH2 3.67Å; E90-R121 PolarHBondContact OE1-NH2 2.79Å; E90-R121 IonicContact OE2-CZ 3.09Å; E90-R121 IonicContact OE2-NH1 3.71Å; E90-R121 PolarHBondContact OE2-NH1 2.94Å; E90-R121 IonicContact OE2-NH2 3.47Å; E90-R121 PolarHBondContact OE2-NH2 3.03Å
91Q96.8Very high94.7Very high21 Ų2161.2 Ų61.210%0.09833%0.327CS..G310 helixtrans-91-6.1171.1-70.7170.4-26.400112P63 A65 I66 F67 H88 P89P63-Q91 PolarHBondContact O-OE1 3.03Å; A65-Q91 VanDerWaalsContact O-CB 3.25Å; A65-Q91 WeakPolarHBondContact O-CB 3.49Å; A65-Q91 WeakPolarHBondContact O-CG 3.42Å; A65-Q91 PolarHBondContact O-OE1 2.84Å; I66-Q91 WeakPolarHBondContact CA-O 2.93Å; I66-Q91 HydrophobicContact CG1-CG 4.33Å; F67-Q91 PolarHBondContact N-O 2.92Å; H88-Q91 HydrophobicContact CB-CB 4.23Å; H88-Q91 HydrophobicContact CB-CG 3.89Å; H88-Q91 WeakPolarHBondContact O-CB 3.41Å; H88-Q91 PolarHBondContact O-N 2.75Å; P89-Q91 PolarHBondContact O-N 3.3Å
92L98Very high94.8Very high13 Ų1360.2 Ų60.27%0.06832%0.315CS..EExtended strand (participates in β ladder)trans-97.788.4173.9-55.9-179.1000107.8F67 V75 V78 R79 F87 P89F67-L92 HydrophobicContact CB-CD2 3.82Å; F67-L92 HydrophobicContact CD2-CD2 3.51Å; F67-L92 HydrophobicContact CE2-CD2 4.33Å; F67-L92 HydrophobicContact CG-CD2 3.87Å; V75-L92 HydrophobicContact CG1-CB 3.77Å; V75-L92 HydrophobicContact CG1-CD2 4.42Å; V78-L92 HydrophobicContact CG1-CD1 4.44Å; V78-L92 HydrophobicContact CG1-CD2 4.09Å; R79-L92 HydrophobicContact CG-CB 4.5Å; R79-L92 HydrophobicContact CG-CD1 3.56Å; R79-L92 PolarHBondContact NH2-O 3.34Å; F87-L92 HydrophobicContact CB-CD1 4.33Å; F87-L92 HydrophobicContact CB-CD2 4.09Å; F87-L92 HydrophobicContact CB-CG 4.35Å; F87-L92 HydrophobicContact CG-CD2 4.43Å; P89-L92 PolarHBondContact O-N 3.37Å; P89-L92 VanDerWaalsContact O-N 3.16Å
93I98Very high94.9Very high9 Ų954.8 Ų54.85%0.04628%0.281CS..EExtended strand (participates in β ladder)trans-98.6128.4-171.5-54.5170.7000108.9I66 F67 V68 D69 L117 V118 R121I66-I93 HydrophobicContact CG2-CD1 3.77Å; I66-I93 HydrophobicContact CG2-CG1 4.48Å; F67-I93 PolarHBondContact O-N 2.9Å; V68-I93 WeakPolarHBondContact CA-O 3.36Å; V68-I93 HydrophobicContact CG2-CB 4.37Å; V68-I93 HydrophobicContact CG2-CD1 4.37Å; D69-I93 PolarHBondContact N-O 3.19Å; I93-L117 HydrophobicContact CG2-CD2 3.78Å; I93-L117 HydrophobicContact CG2-CG 4.26Å; I93-V118 HydrophobicContact CD1-CB 4.33Å; I93-V118 HydrophobicContact CD1-CG2 3.83Å; I93-V118 HydrophobicContact CG2-CG2 4.11Å; I93-R121 HydrophobicContact CD1-CB 4.04Å; I93-R121 HydrophobicContact CD1-CG 3.72Å
94T97.2Very high95.1Very high41 Ų4153.8 Ų53.825%0.25228%0.278SS..EExtended strand (participates in β ladder)trans-133.8134.5178.450.40000110.4D69 P72 V75 R79D69-T94 CarbonylContact O-C 3.52Å; D69-T94 VanDerWaalsContact O-CA 3.23Å; D69-T94 WeakPolarHBondContact O-CA 3.43Å; P72-T94 HydrophobicContact CB-CG2 4.41Å; V75-T94 HydrophobicContact CB-CG2 3.4Å; V75-T94 VanDerWaalsContact CB-CG2 3.4Å; V75-T94 HydrophobicContact CG1-CG2 3.67Å; V75-T94 HydrophobicContact CG2-CG2 3.74Å; R79-T94 PolarHBondContact NH1-OG1 2.82Å; R79-T94 VanDerWaalsContact NH2-CG2 3.32Å; R79-T94 PolarHBondContact NH2-OG1 3.46Å
95G93.9Very high95.2Very high12 Ų1250.5 Ų50.512%0.12426%0.262CS..  trans-75.6-169.716600000112.3D69 L70D69-G95 PolarHBondContact O-N 3.4Å; L70-G95 CarbonylContact O-C 3.51Å; L70-G95 WeakPolarHBondContact O-CA 3.36Å; L70-G95 PolarHBondContact O-N 3.1Å
96K91.2Very high95.3Very high203 Ų20344.9 Ų44.988%0.88324%0.236SC*.SBendtrans-112.1-13.4178.6-64.3177.8-176.5170.70113.2L70L70-K96 PolarHBondContact O-N 3Å
97E89.8Confident95.3Very high102 Ų10245.3 Ų45.348%0.47724%0.238SC..SBendtrans-133.4133.1-172.9-66.2-170.9-155.700108.7L70 R105 V110L70-E97 CarbonylContact C-O 3.58Å; L70-E97 WeakPolarHBondContact CB-O 3.37Å; L70-E97 CarbonylContact O-C 3.55Å; L70-E97 PolarHBondContact O-N 3.39Å; E97-R105 IonicContact OE2-CZ 3.63Å; E97-R105 IonicContact OE2-NH2 2.91Å; E97-R105 PolarHBondContact OE2-NH2 3.16Å; E97-V110 HydrophobicContact CB-CG1 4.15Å; E97-V110 HydrophobicContact CB-CG2 4.47Å
98D90.4Very high95.4Very high72 Ų7247.5 Ų47.539%0.38525%0.246SC..  trans-69.6163176.16657000111.9E71 A100 R105E71-D98 HydrophobicContact CB-CB 3.94Å; E71-D98 HydrophobicContact CG-CB 4.21Å; D98-A100 VanDerWaalsContact C-N 3.27Å; D98-A100 VanDerWaalsContact OD1-CA 3.23Å; D98-A100 WeakPolarHBondContact OD1-CA 3.24Å; D98-A100 WeakPolarHBondContact OD1-CB 3.42Å; D98-A100 PolarHBondContact OD1-N 3.09Å; D98-R105 PolarHBondContact O-NE 3.41Å; D98-R105 PolarHBondContact O-NH2 3.37Å
99A90.6Very high95.4Very high3 Ų346.2 Ų46.23%0.02524%0.243CC..  trans-81.6-2.1171.600000113.3L70 N101 N102L70-A99 HydrophobicContact CD1-CB 3.84Å; A99-N101 PolarHBondContact O-N 3.26Å; A99-N101 VanDerWaalsContact O-N 3.08Å; A99-N102 WeakPolarHBondContact O-CB 3.42Å; A99-N102 PolarHBondContact O-N 2.91Å
100A91.3Very high95.4Very high60 Ų6041.7 Ų41.750%0.49621%0.214SC..THydrogen-bonded Turntrans48.135.5-176.200000114.6D98 N102D98-A100 VanDerWaalsContact C-N 3.27Å; D98-A100 VanDerWaalsContact OD1-CA 3.23Å; D98-A100 WeakPolarHBondContact OD1-CA 3.24Å; D98-A100 WeakPolarHBondContact OD1-CB 3.42Å; D98-A100 PolarHBondContact OD1-N 3.09Å; A100-N102 PolarHBondContact O-N 3.04Å
101N93.7Very high95.4Very high79 Ų7937.1 Ų37.142%0.42219%0.192SC..THydrogen-bonded Turntrans56.923.7-171.3-62.5-56.7000115A99 A180 V182 N186A99-N101 PolarHBondContact O-N 3.26Å; A99-N101 VanDerWaalsContact O-N 3.08Å; N101-A180 HydrophobicContact CB-CB 3.7Å; N101-V182 HydrophobicContact CB-CG2 4.48Å; N101-V182 WeakPolarHBondContact O-CG2 3.39Å; N101-N186 PolarHBondContact O-ND2 2.69Å
102N96.4Very high95.4Very high9 Ų940.9 Ų40.95%0.04821%0.208CC..  trans-107.6117.2-179.3-175.8-20.1000110.5A99 A100 A104 R105 G106 W407A99-N102 WeakPolarHBondContact O-CB 3.42Å; A99-N102 PolarHBondContact O-N 2.91Å; A100-N102 PolarHBondContact O-N 3.04Å; N102-A104 VanDerWaalsContact C-N 3.3Å; N102-A104 PolarHBondContact O-N 3Å; N102-A104 WeakPolarHBondContact OD1-CB 3.39Å; N102-A104 PolarHBondContact OD1-N 3.06Å; N102-R105 HydrophobicContact CB-CB 4.03Å; N102-R105 PolarHBondContact O-N 3.17Å; N102-G106 PolarHBondContact O-N 3.36Å; N102-W407 PolarHBondContact ND2-O 2.93Å
103Y98.2Very high95.3Very high0 Ų047.4 Ų47.40%024%0.239CC..Hα-helixtrans-51.7-47.6174.4172.6-83.5000112R105 G106 H107 Y108 G148 S151 N186 L189 T190 T193 M413Y103-R105 PolarHBondContact O-N 2.85Å; Y103-G106 CarbonylContact O-C 3.49Å; Y103-G106 WeakPolarHBondContact O-CA 3.33Å; Y103-G106 PolarHBondContact O-N 3.16Å; Y103-H107 HydrophobicContact CD1-CB 4.31Å; Y103-H107 HydrophobicContact CE1-CB 3.89Å; Y103-H107 WeakPolarHBondContact O-CB 3.47Å; Y103-H107 PolarHBondContact O-N 3.1Å; Y103-Y108 HydrophobicContact CE1-CE2 4.34Å; Y103-G148 WeakPolarHBondContact O-CA 3.41Å; Y103-S151 WeakPolarHBondContact OH-CB 3.23Å; Y103-N186 VanDerWaalsContact CB-OD1 3.23Å; Y103-N186 WeakPolarHBondContact CB-OD1 3.26Å; Y103-N186 PolarHBondContact N-OD1 3.14Å; Y103-L189 HydrophobicContact CD1-CB 3.96Å; Y103-L189 HydrophobicContact CD1-CD1 3.75Å; Y103-L189 HydrophobicContact CD1-CG 4.41Å; Y103-L189 HydrophobicContact CD2-CB 3.85Å; Y103-L189 HydrophobicContact CE1-CB 3.98Å; Y103-L189 HydrophobicContact CE1-CD1 4.37Å; Y103-L189 HydrophobicContact CE2-CB 3.87Å; Y103-L189 HydrophobicContact CG-CB 3.94Å; Y103-L189 HydrophobicContact CG-CD1 3.98Å; Y103-T190 WeakPolarHBondContact CD2-OG1 3.37Å; Y103-T190 VanDerWaalsContact CE2-OG1 3.29Å; Y103-T190 WeakPolarHBondContact CE2-OG1 3.36Å; Y103-T193 PolarHBondContact OH-OG1 3.33Å; Y103-M413 HydrophobicContact CD1-SD 4.35Å
104A98.1Very high95.2Very high0 Ų047.9 Ų47.90%024%0.241CC..Hα-helixtrans-64.2-34.6-174.300000111.5N102 H107 Y108 Y408 E411 M413N102-A104 VanDerWaalsContact C-N 3.3Å; N102-A104 PolarHBondContact O-N 3Å; N102-A104 WeakPolarHBondContact OD1-CB 3.39Å; N102-A104 PolarHBondContact OD1-N 3.06Å; A104-H107 PolarHBondContact O-N 2.65Å; A104-Y108 HydrophobicContact CB-CD2 4.01Å; A104-Y108 WeakPolarHBondContact O-CA 3.34Å; A104-Y108 VanDerWaalsContact O-CB 3.31Å; A104-Y108 WeakPolarHBondContact O-CB 3.47Å; A104-Y108 PolarHBondContact O-N 2.98Å; A104-Y408 HydrophobicContact CB-CD1 3.93Å; A104-Y408 HydrophobicContact CB-CG 4.27Å; A104-E411 HydrophobicContact CB-CB 3.84Å; A104-E411 HydrophobicContact CB-CG 4.49Å; A104-M413 HydrophobicContact CB-CB 3.9Å; A104-M413 HydrophobicContact CB-SD 4.06Å
105R97.2Very high95.2Very high48 Ų4846.2 Ų46.218%0.18123%0.23CC..Hα-helixtrans-67.1-38.5174.1-168.2169.8169.193.54.8112.2E97 D98 N102 Y103 H107 T109 V110 G111 E411E97-R105 IonicContact OE2-CZ 3.63Å; E97-R105 IonicContact OE2-NH2 2.91Å; E97-R105 PolarHBondContact OE2-NH2 3.16Å; D98-R105 PolarHBondContact O-NE 3.41Å; D98-R105 PolarHBondContact O-NH2 3.37Å; N102-R105 HydrophobicContact CB-CB 4.03Å; N102-R105 PolarHBondContact O-N 3.17Å; Y103-R105 PolarHBondContact O-N 2.85Å; R105-H107 VanDerWaalsContact C-N 3.34Å; R105-T109 WeakPolarHBondContact CA-OG1 3.48Å; R105-T109 PolarHBondContact O-OG1 2.71Å; R105-V110 HydrophobicContact CG-CB 4.33Å; R105-V110 HydrophobicContact CG-CG2 3.6Å; R105-V110 PolarHBondContact O-N 3.4Å; R105-G111 PolarHBondContact O-N 2.97Å; R105-E411 HydrophobicContact CB-CG 4.05Å; R105-E411 IonicContact NH1-OE1 3.44Å; R105-E411 PolarHBondContact NH1-OE1 3.39Å
106G97.5Very high95.4Very high0 Ų051.1 Ų51.10%025%0.254CS..Hα-helixtrans-69.2-26.1173.700000114.3N102 Y103 G111 G148 F149N102-G106 PolarHBondContact O-N 3.36Å; Y103-G106 CarbonylContact O-C 3.49Å; Y103-G106 WeakPolarHBondContact O-CA 3.33Å; Y103-G106 PolarHBondContact O-N 3.16Å; G106-G111 VanDerWaalsContact O-CA 3.27Å; G106-G111 WeakPolarHBondContact O-CA 3.38Å; G106-G148 CarbonylContact O-C 3.44Å; G106-F149 WeakPolarHBondContact O-CA 3.27Å; G106-F149 WeakPolarHBondContact O-CB 3.49Å; G106-F149 PolarHBondContact O-N 3.34Å
107H98.3Very high95.7Very high9 Ų945.5 Ų45.54%0.04223%0.233CC..Hα-helixtrans-105.1-44.8-174.3-172.7-90.2000113.7Y103 A104 R105 K112 G148 L152 E155Y103-H107 HydrophobicContact CD1-CB 4.31Å; Y103-H107 HydrophobicContact CE1-CB 3.89Å; Y103-H107 WeakPolarHBondContact O-CB 3.47Å; Y103-H107 PolarHBondContact O-N 3.1Å; A104-H107 PolarHBondContact O-N 2.65Å; R105-H107 VanDerWaalsContact C-N 3.34Å; H107-K112 WeakPolarHBondContact O-CG 3.46Å; H107-G148 WeakPolarHBondContact CB-O 3.47Å; H107-G148 PolarHBondContact CD2-O 2.87Å; H107-L152 PolarHBondContact CD2-N 3.29Å; H107-E155 IonicContact CD2-OE1 2.79Å; H107-E155 IonicContact CE1-OE1 3.53Å; H107-E155 IonicContact NE2-OE1 3.38Å; H107-E155 PolarHBondContact NE2-OE1 3.42Å; H107-E155 IonicContact NE2-OE2 2.79Å
108Y97.6Very high96.1Very high51 Ų5140.7 Ų40.720%0.221%0.21CC..Hα-helixtrans-97.4-26.9-170.7-67.2-76.2000114.9Y103 A104 K112 E411 M413 E417Y103-Y108 HydrophobicContact CE1-CE2 4.34Å; A104-Y108 HydrophobicContact CB-CD2 4.01Å; A104-Y108 WeakPolarHBondContact O-CA 3.34Å; A104-Y108 VanDerWaalsContact O-CB 3.31Å; A104-Y108 WeakPolarHBondContact O-CB 3.47Å; A104-Y108 PolarHBondContact O-N 2.98Å; Y108-K112 WeakPolarHBondContact O-CD 3.26Å; Y108-K112 WeakPolarHBondContact O-CE 3.44Å; Y108-K112 PolarHBondContact O-NZ 3.33Å; Y108-E411 WeakPolarHBondContact CB-O 3.39Å; Y108-M413 HydrophobicContact CD2-CB 3.82Å; Y108-M413 HydrophobicContact CD2-CG 4.14Å; Y108-M413 HydrophobicContact CE2-CB 3.72Å; Y108-M413 HydrophobicContact CE2-CG 3.51Å; Y108-M413 HydrophobicContact CE2-SD 4.14Å; Y108-E417 PolarHBondContact OH-OE1 2.83Å; Y108-E417 PolarHBondContact OH-OE2 2.76Å
109T96.4Very high96.5Very high41 Ų4137.8 Ų37.825%0.25220%0.195SC..SBendtrans-120.8-94-173.660.50000112.6R105 G111 K112 E113 E411R105-T109 WeakPolarHBondContact CA-OG1 3.48Å; R105-T109 PolarHBondContact O-OG1 2.71Å; T109-G111 PolarHBondContact O-N 3.48Å; T109-K112 WeakPolarHBondContact O-CB 3.31Å; T109-K112 PolarHBondContact O-N 3.2Å; T109-E113 PolarHBondContact O-N 2.85Å; T109-E411 WeakPolarHBondContact CB-OE2 3.18Å; T109-E411 HydrophobicContact CG2-CB 4.11Å; T109-E411 WeakPolarHBondContact CG2-O 3.38Å; T109-E411 WeakPolarHBondContact CG2-OE2 3.44Å; T109-E411 PolarHBondContact OG1-OE2 3.09Å
110V96.1Very high96.8Very high7 Ų740.7 Ų40.74%0.04221%0.208CC..Hα-helixtrans-58.2-37.9-172.2-171.10000111.3L70 E97 R105 K112 E113L70-V110 HydrophobicContact CB-CG1 4.3Å; L70-V110 HydrophobicContact CD2-CB 4.48Å; L70-V110 HydrophobicContact CD2-CG1 3.92Å; L70-V110 HydrophobicContact CG-CG1 4.47Å; E97-V110 HydrophobicContact CB-CG1 4.15Å; E97-V110 HydrophobicContact CB-CG2 4.47Å; R105-V110 HydrophobicContact CG-CB 4.33Å; R105-V110 HydrophobicContact CG-CG2 3.6Å; R105-V110 PolarHBondContact O-N 3.4Å; V110-K112 VanDerWaalsContact C-N 3.34Å; V110-K112 PolarHBondContact O-N 3.15Å; V110-E113 WeakPolarHBondContact O-CB 3.29Å; V110-E113 PolarHBondContact O-N 2.89Å
111G96.8Very high97.1Very high0 Ų039.7 Ų39.70%019%0.191CC..Hα-helixtrans-62.2-37.1174.800000114.5R105 G106 T109 E113 I114 I115 F149R105-G111 PolarHBondContact O-N 2.97Å; G106-G111 VanDerWaalsContact O-CA 3.27Å; G106-G111 WeakPolarHBondContact O-CA 3.38Å; T109-G111 PolarHBondContact O-N 3.48Å; G111-E113 PolarHBondContact O-N 3.43Å; G111-I114 WeakPolarHBondContact O-CG1 3.35Å; G111-I114 PolarHBondContact O-N 3.44Å; G111-I115 PolarHBondContact O-N 3.16Å; G111-F149 WeakPolarHBondContact O-CE2 3.44Å
112K96.1Very high97.4Very high99 Ų9936 Ų3643%0.4317%0.171SC..Hα-helixtrans-66.4-24.8176.1-69-166-177.7153.10112.7H107 Y108 T109 V110 I114 I115 L152H107-K112 WeakPolarHBondContact O-CG 3.46Å; Y108-K112 WeakPolarHBondContact O-CD 3.26Å; Y108-K112 WeakPolarHBondContact O-CE 3.44Å; Y108-K112 PolarHBondContact O-NZ 3.33Å; T109-K112 WeakPolarHBondContact O-CB 3.31Å; T109-K112 PolarHBondContact O-N 3.2Å; V110-K112 VanDerWaalsContact C-N 3.34Å; V110-K112 PolarHBondContact O-N 3.15Å; K112-I114 VanDerWaalsContact C-N 3.31Å; K112-I115 WeakPolarHBondContact O-CG2 3.29Å; K112-L152 HydrophobicContact CG-CD2 4.03Å
113E95.7Very high97.4Very high151 Ų15139.9 Ų39.971%0.70619%0.185SC*.Hα-helixtrans-71.6-28.4177.5-58.6-172.617200112.5T109 V110 G111T109-E113 PolarHBondContact O-N 2.85Å; V110-E113 WeakPolarHBondContact O-CB 3.29Å; V110-E113 PolarHBondContact O-N 2.89Å; G111-E113 PolarHBondContact O-N 3.43Å
114I96.4Very high97.4Very high19 Ų1943.8 Ų43.810%0.09720%0.203CC..Hα-helixtrans-106.4-13.8-176.167151.3000114.3V68 L70 G111 K112 D116 L117 V118 F149V68-I114 HydrophobicContact CG1-CD1 3.67Å; L70-I114 HydrophobicContact CD2-CD1 3.27Å; L70-I114 HydrophobicContact CD2-CG1 3.55Å; L70-I114 HydrophobicContact CG-CD1 4.32Å; G111-I114 WeakPolarHBondContact O-CG1 3.35Å; G111-I114 PolarHBondContact O-N 3.44Å; K112-I114 VanDerWaalsContact C-N 3.31Å; I114-D116 VanDerWaalsContact C-N 3.33Å; I114-D116 PolarHBondContact O-N 3.47Å; I114-L117 WeakPolarHBondContact O-CB 3.48Å; I114-L117 PolarHBondContact O-N 3.16Å; I114-L117 VanDerWaalsContact O-N 3.12Å; I114-V118 HydrophobicContact CD1-CG2 4.36Å; I114-V118 PolarHBondContact O-N 3.46Å; I114-V118 VanDerWaalsContact O-N 3.11Å; I114-F149 HydrophobicContact CD1-CD2 4.31Å; I114-F149 HydrophobicContact CD1-CE1 4.36Å; I114-F149 HydrophobicContact CD1-CE2 3.84Å; I114-F149 HydrophobicContact CD1-CZ 3.89Å; I114-F149 HydrophobicContact CG1-CD2 4.28Å; I114-F149 HydrophobicContact CG1-CE2 3.7Å; I114-F149 HydrophobicContact CG1-CZ 4.15Å
115I97.8Very high97.3Very high5 Ų543.9 Ų43.93%0.02620%0.203CC..Hα-helixtrans-57-43.1-172.9-172.959000112.9G111 K112 L117 V118 L119 F149 L152 L153 R156G111-I115 PolarHBondContact O-N 3.16Å; K112-I115 WeakPolarHBondContact O-CG2 3.29Å; I115-L117 VanDerWaalsContact C-N 3.29Å; I115-L117 PolarHBondContact O-N 3.47Å; I115-V118 PolarHBondContact O-N 2.87Å; I115-V118 VanDerWaalsContact O-N 3.11Å; I115-L119 HydrophobicContact CD1-CD1 4.38Å; I115-L119 HydrophobicContact CD1-CG 4.18Å; I115-L119 HydrophobicContact CG1-CD1 3.95Å; I115-L119 HydrophobicContact CG1-CG 4.22Å; I115-L119 WeakPolarHBondContact O-CG 3.37Å; I115-L119 PolarHBondContact O-N 3.46Å; I115-F149 HydrophobicContact CB-CE2 4.13Å; I115-F149 HydrophobicContact CD1-CE2 3.87Å; I115-F149 HydrophobicContact CD1-CZ 3.93Å; I115-L152 HydrophobicContact CB-CD2 3.97Å; I115-L152 HydrophobicContact CD1-CD2 4.41Å; I115-L152 HydrophobicContact CD1-CG 4.29Å; I115-L152 HydrophobicContact CG1-CD2 4.08Å; I115-L152 HydrophobicContact CG1-CG 4.18Å; I115-L152 HydrophobicContact CG2-CD2 4.33Å; I115-L153 HydrophobicContact CD1-CB 4.09Å; I115-L153 HydrophobicContact CD1-CD1 3.69Å; I115-L153 HydrophobicContact CD1-CG 4.49Å; I115-R156 HydrophobicContact CD1-CG 4.47Å; I115-R156 HydrophobicContact CG1-CG 4.22Å
116D97.8Very high97.2Very high116 Ų11642.2 Ų42.262%0.6220%0.2SC*.Hα-helixtrans-63.8-36.7-179.2-69.4-22.3000111.8I114 E120I114-D116 VanDerWaalsContact C-N 3.33Å; I114-D116 PolarHBondContact O-N 3.47Å; D116-E120 WeakPolarHBondContact O-CB 3.31Å; D116-E120 PolarHBondContact O-N 3.45Å
117L97.5Very high97.1Very high85 Ų8547.4 Ų47.445%0.44523%0.227SC..Hα-helixtrans-65.2-43.8174.6174.362000110.8I93 I114 I115 E120 R121I93-L117 HydrophobicContact CG2-CD2 3.78Å; I93-L117 HydrophobicContact CG2-CG 4.26Å; I114-L117 WeakPolarHBondContact O-CB 3.48Å; I114-L117 PolarHBondContact O-N 3.16Å; I114-L117 VanDerWaalsContact O-N 3.12Å; I115-L117 VanDerWaalsContact C-N 3.29Å; I115-L117 PolarHBondContact O-N 3.47Å; L117-E120 PolarHBondContact O-N 2.96Å; L117-R121 WeakPolarHBondContact O-CG 3.28Å; L117-R121 PolarHBondContact O-N 3.18Å; L117-R121 VanDerWaalsContact O-N 3.15Å
118V98.3Very high96.9Very high0 Ų052.3 Ų52.30%025%0.25CS..Hα-helixtrans-64.7-46.7178.8176.90000110.7V68 I93 I114 I115 E120 R121 V122 F149 L153V68-V118 HydrophobicContact CG1-CG2 3.8Å; V68-V118 HydrophobicContact CG2-CG1 3.96Å; V68-V118 HydrophobicContact CG2-CG2 3.88Å; I93-V118 HydrophobicContact CD1-CB 4.33Å; I93-V118 HydrophobicContact CD1-CG2 3.83Å; I93-V118 HydrophobicContact CG2-CG2 4.11Å; I114-V118 HydrophobicContact CD1-CG2 4.36Å; I114-V118 PolarHBondContact O-N 3.46Å; I114-V118 VanDerWaalsContact O-N 3.11Å; I115-V118 PolarHBondContact O-N 2.87Å; I115-V118 VanDerWaalsContact O-N 3.11Å; V118-E120 VanDerWaalsContact C-N 3.34Å; V118-E120 PolarHBondContact O-N 3.38Å; V118-R121 PolarHBondContact O-N 2.77Å; V118-R121 VanDerWaalsContact O-N 3.08Å; V118-V122 HydrophobicContact CG1-CG2 4.42Å; V118-V122 WeakPolarHBondContact O-CG2 3.44Å; V118-V122 PolarHBondContact O-N 3.22Å; V118-F149 HydrophobicContact CB-CZ 4.14Å; V118-F149 HydrophobicContact CG1-CZ 4.31Å; V118-F149 HydrophobicContact CG2-CE1 4.32Å; V118-F149 HydrophobicContact CG2-CZ 3.76Å; V118-L153 HydrophobicContact CG1-CD1 4.03Å; V118-L153 HydrophobicContact CG1-CD2 4.18Å
119L98.2Very high96.7Very high11 Ų1150.7 Ų50.76%0.05825%0.246CC..Hα-helixtrans-60.2-41.6177.1-71.5173.8000112.1I115 R121 V122 R123 L153 R156I115-L119 HydrophobicContact CD1-CD1 4.38Å; I115-L119 HydrophobicContact CD1-CG 4.18Å; I115-L119 HydrophobicContact CG1-CD1 3.95Å; I115-L119 HydrophobicContact CG1-CG 4.22Å; I115-L119 WeakPolarHBondContact O-CG 3.37Å; I115-L119 PolarHBondContact O-N 3.46Å; L119-R121 VanDerWaalsContact C-N 3.28Å; L119-R121 PolarHBondContact O-N 3.35Å; L119-V122 WeakPolarHBondContact O-CB 3.22Å; L119-V122 PolarHBondContact O-N 3.12Å; L119-R123 WeakPolarHBondContact O-CB 3.42Å; L119-R123 PolarHBondContact O-N 3.44Å; L119-L153 HydrophobicContact CD2-CD1 3.87Å; L119-L153 HydrophobicContact CG-CD1 4.49Å; L119-R156 HydrophobicContact CD1-CB 3.85Å; L119-R156 HydrophobicContact CD1-CG 4.04Å; L119-R156 HydrophobicContact CD2-CB 3.79Å; L119-R156 HydrophobicContact CG-CB 4.38Å
120E98.1Very high96.5Very high65 Ų6553 Ų5330%0.30426%0.264SS..Hα-helixtrans-62.7-35.3175.5177.156.2-162.800112.1D116 L117 V118 R123 K124D116-E120 WeakPolarHBondContact O-CB 3.31Å; D116-E120 PolarHBondContact O-N 3.45Å; L117-E120 PolarHBondContact O-N 2.96Å; V118-E120 VanDerWaalsContact C-N 3.34Å; V118-E120 PolarHBondContact O-N 3.38Å; E120-R123 IonicContact OE1-CZ 3.45Å; E120-R123 IonicContact OE1-NE 2.94Å; E120-R123 IonicContact OE1-NH2 3.45Å; E120-R123 PolarHBondContact OE1-NH2 2.95Å; E120-R123 IonicContact OE2-CZ 2.65Å; E120-R123 IonicContact OE2-NE 2.96Å; E120-R123 PolarHBondContact OE2-NE 2.84Å; E120-R123 IonicContact OE2-NH2 3Å; E120-R123 PolarHBondContact OE2-NH2 3.49Å; E120-K124 WeakPolarHBondContact O-CG 3.48Å; E120-K124 PolarHBondContact O-N 2.96Å; E120-K124 VanDerWaalsContact O-N 3.07Å; E120-K124 WeakPolarHBondContact OE1-CE 3.39Å; E120-K124 IonicContact OE1-NZ 3.93Å
121R97.7Very high96.3Very high39 Ų3954 Ų5415%0.14728%0.276CS..Hα-helixtrans-72-39.6174-63.7-54.4177177.51112.6I66 E90 I93 L117 V118 L119 R123 K124 S125I66-R121 HydrophobicContact CD1-CB 4.04Å; E90-R121 VanDerWaalsContact CB-CZ 3.45Å; E90-R121 VanDerWaalsContact CD-CZ 3.44Å; E90-R121 PolarHBondContact O-NE 3.36Å; E90-R121 IonicContact OE1-CZ 3.88Å; E90-R121 IonicContact OE1-NH1 3.39Å; E90-R121 PolarHBondContact OE1-NH1 2.84Å; E90-R121 IonicContact OE1-NH2 3.67Å; E90-R121 PolarHBondContact OE1-NH2 2.79Å; E90-R121 IonicContact OE2-CZ 3.09Å; E90-R121 IonicContact OE2-NH1 3.71Å; E90-R121 PolarHBondContact OE2-NH1 2.94Å; E90-R121 IonicContact OE2-NH2 3.47Å; E90-R121 PolarHBondContact OE2-NH2 3.03Å; I93-R121 HydrophobicContact CD1-CB 4.04Å; I93-R121 HydrophobicContact CD1-CG 3.72Å; L117-R121 WeakPolarHBondContact O-CG 3.28Å; L117-R121 PolarHBondContact O-N 3.18Å; L117-R121 VanDerWaalsContact O-N 3.15Å; V118-R121 PolarHBondContact O-N 2.77Å; V118-R121 VanDerWaalsContact O-N 3.08Å; L119-R121 VanDerWaalsContact C-N 3.28Å; L119-R121 PolarHBondContact O-N 3.35Å; R121-R123 VanDerWaalsContact C-N 3.34Å; R121-K124 PolarHBondContact O-N 3.44Å; R121-S125 WeakPolarHBondContact O-CB 3.22Å; R121-S125 PolarHBondContact O-N 3Å
122V98.3Very high96.1Very high0 Ų054.5 Ų54.50%028%0.278CS..Hα-helixtrans-57.9-49.5172.3171.10000109.9L7 I66 V118 L119 K124 S125 A126 F135 L157 Y161L7-V122 HydrophobicContact CD2-CG2 3.95Å; I66-V122 HydrophobicContact CD1-CB 4.29Å; I66-V122 HydrophobicContact CD1-CG2 3.66Å; V118-V122 HydrophobicContact CG1-CG2 4.42Å; V118-V122 WeakPolarHBondContact O-CG2 3.44Å; V118-V122 PolarHBondContact O-N 3.22Å; L119-V122 WeakPolarHBondContact O-CB 3.22Å; L119-V122 PolarHBondContact O-N 3.12Å; V122-K124 PolarHBondContact O-N 2.93Å; V122-S125 CarbonylContact O-C 2.94Å; V122-S125 PolarHBondContact O-N 3.28Å; V122-S125 VanDerWaalsContact O-N 3.13Å; V122-A126 WeakPolarHBondContact O-CB 3.44Å; V122-A126 PolarHBondContact O-N 2.77Å; V122-F135 HydrophobicContact CG1-CE1 3.68Å; V122-F135 HydrophobicContact CG1-CZ 3.99Å; V122-L157 HydrophobicContact CG1-CD2 3.87Å; V122-Y161 HydrophobicContact CG1-CE2 3.96Å
123R97.8Very high95.9Very high91 Ų9152 Ų5234%0.34327%0.268SS..Hα-helixtrans-57.6-49.4179.2-166.8-168.267.2667.8112.1L119 E120 R121 S125 A126 D127 Y161L119-R123 WeakPolarHBondContact O-CB 3.42Å; L119-R123 PolarHBondContact O-N 3.44Å; E120-R123 IonicContact OE1-CZ 3.45Å; E120-R123 IonicContact OE1-NE 2.94Å; E120-R123 IonicContact OE1-NH2 3.45Å; E120-R123 PolarHBondContact OE1-NH2 2.95Å; E120-R123 IonicContact OE2-CZ 2.65Å; E120-R123 IonicContact OE2-NE 2.96Å; E120-R123 PolarHBondContact OE2-NE 2.84Å; E120-R123 IonicContact OE2-NH2 3Å; E120-R123 PolarHBondContact OE2-NH2 3.49Å; R121-R123 VanDerWaalsContact C-N 3.34Å; R123-S125 VanDerWaalsContact C-N 3.31Å; R123-S125 PolarHBondContact O-N 3.38Å; R123-A126 PolarHBondContact O-N 2.95Å; R123-D127 IonicContact CZ-OD2 3.23Å; R123-D127 IonicContact NH1-OD2 3.69Å; R123-D127 PolarHBondContact NH1-OD2 2.93Å; R123-D127 VanDerWaalsContact O-CG 3.25Å; R123-D127 PolarHBondContact O-N 2.82Å; R123-Y161 WeakPolarHBondContact CA-OH 3.47Å
124K97.3Very high95.9Very high83 Ų8344.9 Ų44.936%0.36124%0.235SC..Hα-helixtrans-59.4-40.6175.3-72.7-178.7-169.5-177.60112.6E120 R121 V122 Q128E120-K124 WeakPolarHBondContact O-CG 3.48Å; E120-K124 PolarHBondContact O-N 2.96Å; E120-K124 VanDerWaalsContact O-N 3.07Å; E120-K124 WeakPolarHBondContact OE1-CE 3.39Å; E120-K124 IonicContact OE1-NZ 3.93Å; R121-K124 PolarHBondContact O-N 3.44Å; V122-K124 PolarHBondContact O-N 2.93Å; K124-Q128 VanDerWaalsContact O-CG 3.29Å; K124-Q128 WeakPolarHBondContact O-CG 3.2Å; K124-Q128 PolarHBondContact O-N 2.79Å
125S96.1Very high95.9Very high2 Ų244 Ų441%0.01423%0.23CC..Hα-helixtrans-69.6-34.7177.9-168.60000111.9R121 V122 R123 Q128 C129R121-S125 WeakPolarHBondContact O-CB 3.22Å; R121-S125 PolarHBondContact O-N 3Å; V122-S125 CarbonylContact O-C 2.94Å; V122-S125 PolarHBondContact O-N 3.28Å; V122-S125 VanDerWaalsContact O-N 3.13Å; R123-S125 VanDerWaalsContact C-N 3.31Å; R123-S125 PolarHBondContact O-N 3.38Å; S125-Q128 PolarHBondContact O-N 3.46Å; S125-C129 PolarHBondContact O-SG 2.86Å
126A96Very high95.9Very high13 Ų1343.8 Ų43.811%0.10723%0.229CC..Hα-helixtrans-70-42.2176.100000111.7I5 V122 R123 Q128 C129 L132 Y161I5-A126 HydrophobicContact CD1-CB 4.09Å; V122-A126 WeakPolarHBondContact O-CB 3.44Å; V122-A126 PolarHBondContact O-N 2.77Å; R123-A126 PolarHBondContact O-N 2.95Å; A126-Q128 PolarHBondContact O-N 2.81Å; A126-C129 VanDerWaalsContact O-CB 3.31Å; A126-C129 WeakPolarHBondContact O-CB 3.41Å; A126-C129 PolarHBondContact O-N 2.62Å; A126-L132 HydrophobicContact CB-CD2 3.93Å; A126-Y161 HydrophobicContact CB-CE1 3.9Å
127D95.7Very high96Very high108 Ų10838.3 Ų38.358%0.57820%0.2SC*.Hα-helixtrans-61.2-29.3175.2-70.1-19.3000112.3R123 C129R123-D127 IonicContact CZ-OD2 3.23Å; R123-D127 IonicContact NH1-OD2 3.69Å; R123-D127 PolarHBondContact NH1-OD2 2.93Å; R123-D127 VanDerWaalsContact O-CG 3.25Å; R123-D127 PolarHBondContact O-N 2.82Å; D127-C129 VanDerWaalsContact C-N 3.26Å; D127-C129 PolarHBondContact O-N 2.96Å
128Q93.4Very high96Very high112 Ų11234.2 Ų34.252%0.52318%0.179SC..THydrogen-bonded Turntrans-78.4-5.9174.7-72.1174.21.700113.6R64 K124 S125 A126R64-Q128 PolarHBondContact NH1-O 3.33Å; K124-Q128 VanDerWaalsContact O-CG 3.29Å; K124-Q128 WeakPolarHBondContact O-CG 3.2Å; K124-Q128 PolarHBondContact O-N 2.79Å; S125-Q128 PolarHBondContact O-N 3.46Å; A126-Q128 PolarHBondContact O-N 2.81Å
129C94Very high96Very high18 Ų1834.2 Ų34.212%0.12218%0.179CC..  trans-91131.5176.1-61.60000110.1E3 R64 S125 A126 D127 G131 L132E3-C129 HydrophobicContact CB-CB 4.02Å; E3-C129 WeakPolarHBondContact OE1-CA 3.35Å; R64-C129 PolarHBondContact NH1-SG 3.21Å; S125-C129 PolarHBondContact O-SG 2.86Å; A126-C129 VanDerWaalsContact O-CB 3.31Å; A126-C129 WeakPolarHBondContact O-CB 3.41Å; A126-C129 PolarHBondContact O-N 2.62Å; D127-C129 VanDerWaalsContact C-N 3.26Å; D127-C129 PolarHBondContact O-N 2.96Å; C129-G131 VanDerWaalsContact C-N 3.28Å; C129-L132 HydrophobicContact CB-CB 4.07Å
130S92Very high96Very high90 Ų9034.4 Ų34.463%0.62918%0.181SC*.SBendtrans-68.5-27.4168.769.80000113M1 E3M1-S130 VanDerWaalsContact CB-OG 3.3Å; M1-S130 WeakPolarHBondContact CB-OG 3.4Å; E3-S130 PolarHBondContact OE1-N 3.02Å; E3-S130 WeakPolarHBondContact OE2-CA 3.25Å; E3-S130 WeakPolarHBondContact OE2-CB 3.3Å; E3-S130 PolarHBondContact OE2-N 2.96Å; E3-S130 PolarHBondContact OE2-OG 2.87Å
131G90.5Very high95.9Very high27 Ų2731.3 Ų31.328%0.27817%0.166SC..SBendtrans-163.381.6-179.300000111.4E3 C129 Q133E3-G131 PolarHBondContact N-O 3.43Å; E3-G131 PolarHBondContact OE2-N 2.79Å; C129-G131 VanDerWaalsContact C-N 3.28Å; G131-Q133 PolarHBondContact O-N 3.43Å
132L93.9Very high95.6Very high10 Ų1029.4 Ų29.45%0.05216%0.159CC..EExtended strand (participates in β ladder)trans-63.1118.6175.2-179.865000110.5E3 I5 A126 C129 G134 F135 Y161 R164E3-L132 CarbonylContact O-C 3.59Å; E3-L132 WeakPolarHBondContact O-CA 3.38Å; I5-L132 HydrophobicContact CB-CD1 4.49Å; I5-L132 HydrophobicContact CD1-CD1 3.78Å; I5-L132 HydrophobicContact CD1-CD2 4.29Å; I5-L132 HydrophobicContact CG1-CD1 3.84Å; A126-L132 HydrophobicContact CB-CD2 3.93Å; C129-L132 HydrophobicContact CB-CB 4.07Å; L132-G134 WeakPolarHBondContact CD1-O 3.32Å; L132-F135 HydrophobicContact CD2-CE1 4.34Å; L132-F135 HydrophobicContact CD2-CE2 4.33Å; L132-F135 HydrophobicContact CD2-CZ 3.83Å; L132-Y161 HydrophobicContact CD2-CD1 4.28Å; L132-Y161 HydrophobicContact CD2-CE1 4.46Å; L132-R164 HydrophobicContact CD2-CG 4.46Å; L132-R164 WeakPolarHBondContact O-CD 3.36Å; L132-R164 VanDerWaalsContact O-CZ 3.25Å; L132-R164 PolarHBondContact O-NE 2.88Å; L132-R164 PolarHBondContact O-NH1 2.92Å
133Q92.2Very high95.4Very high48 Ų4830.2 Ų30.222%0.22417%0.167CC..EExtended strand (participates in β ladder)trans-82-43.8173-65-157.1-31.100111.8R2 E3 G131 S165 L252R2-Q133 VanDerWaalsContact CB-CD 3.5Å; R2-Q133 HydrophobicContact CB-CG 4.15Å; R2-Q133 VanDerWaalsContact CB-NE2 3.34Å; E3-Q133 PolarHBondContact O-N 2.82Å; G131-Q133 PolarHBondContact O-N 3.43Å; Q133-S165 PolarHBondContact O-N 2.95Å; Q133-L252 HydrophobicContact CB-CD1 4Å
134G94.8Very high95.3Very high0 Ų025.9 Ų25.90%015%0.151CC..EExtended strand (participates in β ladder)trans176.2-173.1-171.900000114.8C4 I5 L132 S165C4-G134 WeakPolarHBondContact CA-O 3.21Å; I5-G134 PolarHBondContact N-O 2.94Å; I5-G134 VanDerWaalsContact N-O 3.15Å; L132-G134 WeakPolarHBondContact CD1-O 3.32Å; G134-S165 CarbonylContact C-O 3.6Å; G134-S165 WeakPolarHBondContact CA-O 3.09Å
135F97.3Very high95.3Very high1 Ų122.4 Ų22.40%0.00414%0.137CC..EExtended strand (participates in β ladder)trans-113.5134.8180-58.2-80000110.1I5 L7 V122 L132 I137 L157 Y161 R164 S165 K166 L167I5-F135 HydrophobicContact CB-CD1 3.9Å; I5-F135 HydrophobicContact CB-CE1 4.08Å; I5-F135 HydrophobicContact CD1-CE1 3.99Å; I5-F135 HydrophobicContact CG2-CD1 4.24Å; I5-F135 HydrophobicContact CG2-CE1 4.4Å; I5-F135 VanDerWaalsContact O-CA 3.3Å; I5-F135 WeakPolarHBondContact O-CA 3.46Å; L7-F135 HydrophobicContact CD1-CB 4.34Å; L7-F135 HydrophobicContact CD1-CD1 3.95Å; L7-F135 HydrophobicContact CD1-CG 4.37Å; L7-F135 HydrophobicContact CG-CD1 4.34Å; V122-F135 HydrophobicContact CG1-CE1 3.68Å; V122-F135 HydrophobicContact CG1-CZ 3.99Å; L132-F135 HydrophobicContact CD2-CE1 4.34Å; L132-F135 HydrophobicContact CD2-CE2 4.33Å; L132-F135 HydrophobicContact CD2-CZ 3.83Å; F135-I137 HydrophobicContact CB-CG1 4.16Å; F135-L157 HydrophobicContact CE1-CD2 4.22Å; F135-L157 HydrophobicContact CE2-CD2 4.15Å; F135-L157 HydrophobicContact CG-CD1 4.43Å; F135-L157 HydrophobicContact CZ-CD2 3.96Å; F135-Y161 HydrophobicContact CE2-CD1 4.35Å; F135-Y161 AromaticContact CE2-CD2 4Å; F135-Y161 HydrophobicContact CE2-CD2 4Å; F135-Y161 AromaticContact CE2-CG 3.76Å; F135-Y161 HydrophobicContact CE2-CG 3.76Å; F135-Y161 HydrophobicContact CZ-CD1 4.12Å; F135-Y161 AromaticContact CZ-CD2 3.81Å; F135-Y161 HydrophobicContact CZ-CD2 3.81Å; F135-Y161 HydrophobicContact CZ-CE1 4.47Å; F135-Y161 HydrophobicContact CZ-CE2 4.21Å; F135-Y161 AromaticContact CZ-CG 3.8Å; F135-Y161 HydrophobicContact CZ-CG 3.8Å; F135-R164 HydrophobicContact CE2-CB 4.26Å; F135-S165 PolarHBondContact N-O 3.43Å; F135-K166 HydrophobicContact CD2-CG 4.23Å; F135-L167 PolarHBondContact O-N 2.79Å
136L97.6Very high95.3Very high0 Ų022.5 Ų22.50%014%0.138CC..EExtended strand (participates in β ladder)trans-103.8109.9169.2-56.2-177000107.2C4 I5 S6 L7 F52 F138 L167 F169 T239 L252C4-L136 HydrophobicContact CB-CG 4.48Å; I5-L136 PolarHBondContact O-N 3.43Å; S6-L136 CarbonylContact C-O 3.51Å; S6-L136 VanDerWaalsContact CA-O 3.31Å; S6-L136 WeakPolarHBondContact CA-O 3.36Å; L7-L136 PolarHBondContact N-O 2.83Å; F52-L136 HydrophobicContact CE1-CD1 4.24Å; F52-L136 HydrophobicContact CZ-CD1 3.85Å; L136-F138 HydrophobicContact CB-CE2 3.68Å; L136-F138 HydrophobicContact CB-CZ 4.3Å; L136-F138 WeakPolarHBondContact O-CD2 3.45Å; L136-L167 CarbonylContact C-O 3.58Å; L136-L167 WeakPolarHBondContact CA-O 3.31Å; L136-L167 HydrophobicContact CD2-CB 4.2Å; L136-L167 HydrophobicContact CD2-CD1 4.33Å; L136-L167 HydrophobicContact CD2-CG 4.49Å; L136-F169 HydrophobicContact CB-CE2 4Å; L136-F169 HydrophobicContact CD2-CE2 4.07Å; L136-F169 HydrophobicContact CG-CE2 4.4Å; L136-T239 HydrophobicContact CD1-CG2 3.8Å; L136-L252 HydrophobicContact CD2-CD2 4.24Å
137I98.5Very high95.4Very high1 Ų121.9 Ų21.91%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-105.6119.7-169.8-55.2175.9000108.5L7 I9 F135 T150 M154 L157 K166 L167 E168 F169L7-I137 HydrophobicContact CD1-CG1 4.38Å; I9-I137 HydrophobicContact CD1-CG2 4.03Å; F135-I137 HydrophobicContact CB-CG1 4.16Å; I137-T150 HydrophobicContact CG2-CG2 3.81Å; I137-M154 HydrophobicContact CD1-CE 4.27Å; I137-M154 HydrophobicContact CD1-CG 3.8Å; I137-M154 HydrophobicContact CD1-SD 4.01Å; I137-L157 HydrophobicContact CD1-CD1 4.38Å; I137-K166 HydrophobicContact CD1-CB 4.23Å; I137-K166 HydrophobicContact CD1-CG 4.43Å; I137-L167 PolarHBondContact N-O 3.3Å; I137-E168 HydrophobicContact CB-CG 4.14Å; I137-E168 HydrophobicContact CG2-CG 4.48Å; I137-E168 CarbonylContact O-C 3.29Å; I137-E168 WeakPolarHBondContact O-CA 3.05Å; I137-F169 PolarHBondContact O-N 3.41Å
138F98.7Very high95.5Very high0 Ų016.8 Ų16.80%011%0.105CC..EExtended strand (participates in β ladder)trans-112.5118.9-177.5-63.2-101.1000108.7L7 H8 I9 G13 M16 L136 F169 V235L7-F138 PolarHBondContact O-N 2.91Å; H8-F138 AromaticContact CE1-CD2 3.16Å; H8-F138 WeakPolarHBondContact CE1-CD2 3.2Å; H8-F138 AromaticContact CE1-CE2 3.43Å; H8-F138 VanDerWaalsContact CE1-CE2 3.43Å; H8-F138 WeakPolarHBondContact CE1-CE2 3.24Å; H8-F138 AromaticContact CE1-CG 3.52Å; H8-F138 AromaticContact CE1-CZ 3.98Å; H8-F138 WeakPolarHBondContact ND1-CB 3.04Å; H8-F138 AromaticContact ND1-CD2 3.37Å; H8-F138 WeakPolarHBondContact ND1-CD2 3.37Å; H8-F138 AromaticContact ND1-CG 3.38Å; H8-F138 WeakPolarHBondContact ND1-CG 3.29Å; I9-F138 PolarHBondContact N-O 2.89Å; G13-F138 VanDerWaalsContact CA-O 3.25Å; G13-F138 WeakPolarHBondContact CA-O 3.44Å; M16-F138 HydrophobicContact CB-CD1 4.37Å; M16-F138 HydrophobicContact CE-CB 4.14Å; L136-F138 HydrophobicContact CB-CE2 3.68Å; L136-F138 HydrophobicContact CB-CZ 4.3Å; L136-F138 WeakPolarHBondContact O-CD2 3.45Å; F138-F169 HydrophobicContact CD1-CB 3.6Å; F138-F169 AromaticContact CD1-CD2 3.97Å; F138-F169 HydrophobicContact CD1-CD2 3.97Å; F138-F169 AromaticContact CD1-CG 3.97Å; F138-F169 HydrophobicContact CD1-CG 3.97Å; F138-F169 HydrophobicContact CD2-CD2 4.34Å; F138-F169 HydrophobicContact CE1-CB 3.83Å; F138-F169 HydrophobicContact CE1-CD1 4.44Å; F138-F169 AromaticContact CE1-CD2 3.52Å; F138-F169 HydrophobicContact CE1-CD2 3.52Å; F138-F169 HydrophobicContact CE1-CE2 4.18Å; F138-F169 AromaticContact CE1-CG 3.67Å; F138-F169 HydrophobicContact CE1-CG 3.67Å; F138-F169 AromaticContact CE2-CD2 3.94Å; F138-F169 HydrophobicContact CE2-CD2 3.94Å; F138-F169 HydrophobicContact CE2-CE2 4.32Å; F138-F169 HydrophobicContact CG-CB 4.24Å; F138-F169 HydrophobicContact CG-CD2 4.35Å; F138-F169 AromaticContact CZ-CD2 3.5Å; F138-F169 HydrophobicContact CZ-CD2 3.5Å; F138-F169 VanDerWaalsContact CZ-CD2 3.5Å; F138-F169 AromaticContact CZ-CE2 3.8Å; F138-F169 HydrophobicContact CZ-CE2 3.8Å; F138-F169 HydrophobicContact CZ-CG 4.13Å; F138-V235 HydrophobicContact CE1-CB 4.43Å; F138-V235 HydrophobicContact CE1-CG1 3.7Å; F138-V235 HydrophobicContact CE1-CG2 3.84Å; F138-V235 HydrophobicContact CZ-CG1 3.62Å
139H98.3Very high95.7Very high0 Ų011.4 Ų11.40%08%0.081CC..EExtended strand (participates in β ladder)trans-161.3-177-173.676.3131.3000112.1I9 M16 F141 G146 T150 E168 F169 I171I9-H139 HydrophobicContact CB-CB 4.45Å; M16-H139 WeakPolarHBondContact CE-O 3.43Å; H139-F141 AromaticContact CE1-CD2 3.7Å; H139-F141 AromaticContact CE1-CE2 3.48Å; H139-F141 VanDerWaalsContact CE1-CE2 3.48Å; H139-F141 WeakPolarHBondContact CE1-CE2 3.4Å; H139-F141 AromaticContact NE2-CD2 3.98Å; H139-F141 AromaticContact NE2-CE2 3.55Å; H139-G146 WeakPolarHBondContact CB-O 3.45Å; H139-G146 PolarHBondContact ND1-O 2.95Å; H139-T150 HydrophobicContact CB-CG2 4.25Å; H139-E168 IonicContact CE1-OE2 3.93Å; H139-E168 PolarHBondContact CE1-OE2 2.77Å; H139-E168 VanDerWaalsContact CE1-OE2 3.22Å; H139-E168 IonicContact NE2-OE2 2.71Å; H139-E168 PolarHBondContact NE2-OE2 3.39Å; H139-F169 PolarHBondContact N-O 2.81Å; H139-I171 PolarHBondContact O-N 3.16Å
140S96.9Very high95.9Very high14 Ų1410.6 Ų10.610%0.0988%0.075CC..EExtended strand (participates in β ladder)trans-132.9139.8172.1177.40000110.2G142 G146 S147 I171S140-G142 PolarHBondContact O-N 3.41Å; S140-G142 PolarHBondContact OG-N 3.44Å; S140-G146 CarbonylContact O-C 3.59Å; S140-S147 PolarHBondContact O-N 2.88Å; S140-I171 WeakPolarHBondContact CA-O 3.28Å; S140-I171 PolarHBondContact OG-O 2.99Å
141F96Very high96.2Very high0 Ų06.3 Ų6.30%05%0.045CC..THydrogen-bonded Turntrans-68.4-23.8177.9-81.6-131.2000111.8H139 S147 A170 I171 Y172 N186 S187 T190 T191 M203 F267H139-F141 AromaticContact CE1-CD2 3.7Å; H139-F141 AromaticContact CE1-CE2 3.48Å; H139-F141 VanDerWaalsContact CE1-CE2 3.48Å; H139-F141 WeakPolarHBondContact CE1-CE2 3.4Å; H139-F141 AromaticContact NE2-CD2 3.98Å; H139-F141 AromaticContact NE2-CE2 3.55Å; F141-S147 WeakPolarHBondContact O-CB 3.37Å; F141-A170 HydrophobicContact CD2-CB 3.78Å; F141-A170 HydrophobicContact CE2-CB 3.4Å; F141-A170 HydrophobicContact CZ-CB 4.42Å; F141-I171 PolarHBondContact N-O 3.39Å; F141-I171 VanDerWaalsContact N-O 3.11Å; F141-Y172 HydrophobicContact CB-CD2 4.45Å; F141-Y172 AromaticContact CD1-CD2 3.92Å; F141-Y172 HydrophobicContact CD1-CD2 3.92Å; F141-Y172 AromaticContact CD1-CE2 3.98Å; F141-Y172 HydrophobicContact CD1-CE2 3.98Å; F141-Y172 HydrophobicContact CE1-CD2 4.37Å; F141-Y172 HydrophobicContact CE1-CE2 4.38Å; F141-Y172 HydrophobicContact CG-CD2 4.15Å; F141-N186 CarbonylContact O-C 3.58Å; F141-N186 VanDerWaalsContact O-C 3.29Å; F141-N186 WeakPolarHBondContact O-CB 3.46Å; F141-S187 WeakPolarHBondContact O-CA 3.47Å; F141-S187 PolarHBondContact O-N 3.21Å; F141-S187 PolarHBondContact O-OG 3.28Å; F141-T190 HydrophobicContact CD1-CG2 4.33Å; F141-T190 HydrophobicContact CD2-CG2 4.41Å; F141-T190 HydrophobicContact CE1-CG2 4.46Å; F141-T190 HydrophobicContact CG-CG2 4.3Å; F141-T191 WeakPolarHBondContact CD1-OG1 3.43Å; F141-T191 VanDerWaalsContact CE1-OG1 3.27Å; F141-T191 WeakPolarHBondContact CE1-OG1 3.38Å; F141-M203 HydrophobicContact CE1-CE 4.29Å; F141-M203 HydrophobicContact CE2-CE 4.48Å; F141-M203 HydrophobicContact CZ-CE 4.14Å; F141-F267 HydrophobicContact CZ-CE1 4.29Å
142G93Very high96.6Very high0 Ų05.1 Ų5.10%03%0.032CC..THydrogen-bonded Turntrans-88.2-20.8-173.700000116.2S140 N186S140-G142 PolarHBondContact O-N 3.41Å; S140-G142 PolarHBondContact OG-N 3.44Å; G142-N186 PolarHBondContact O-ND2 3.13Å
143G92.8Very high96.8Very high16 Ų164.7 Ų4.717%0.1653%0.03CC..SBendtrans-97.3146.1-17200000113.1T145 G146 S147G143-T145 PolarHBondContact O-N 3.29Å; G143-G146 PolarHBondContact O-N 3.4Å; G143-S147 WeakPolarHBondContact O-CA 3.41Å; G143-S147 WeakPolarHBondContact O-CB 3.44Å; G143-S147 PolarHBondContact O-N 3.1Å; G143-S147 PolarHBondContact O-OG 3.41Å
144G95.5Very high97.1Very high1 Ų12.5 Ų2.51%0.012%0.02CC..Hα-helixtrans-59.1-47.2-175.400000114.5G148G144-G148 WeakPolarHBondContact O-CA 3.44Å; G144-G148 PolarHBondContact O-N 3.15Å
145T97.5Very high97.2Very high10 Ų104.9 Ų4.96%0.0613%0.031CC..Iπ-helixtrans-70.4-48.4173.7-47.90000111.3I9 D69 L70 G143 S147 F149 T150I9-T145 HydrophobicContact CG2-CG2 4.06Å; D69-T145 PolarHBondContact OD1-OG1 3.46Å; L70-T145 HydrophobicContact CD1-CG2 4.01Å; L70-T145 HydrophobicContact CG-CG2 3.85Å; G143-T145 PolarHBondContact O-N 3.29Å; T145-S147 PolarHBondContact O-N 3.32Å; T145-F149 HydrophobicContact CG2-CB 4.05Å; T145-F149 HydrophobicContact CG2-CD1 4.41Å; T145-F149 VanDerWaalsContact O-CB 3.29Å; T145-F149 WeakPolarHBondContact O-CB 3.35Å; T145-F149 PolarHBondContact O-N 3.47Å; T145-T150 PolarHBondContact O-N 2.95Å
146G96.9Very high97.2Very high4 Ų410 Ų104%0.0415%0.05CC..Iπ-helixtrans-63.8-25.4-176.300000113.5H139 S140 G143 T150H139-G146 WeakPolarHBondContact CB-O 3.45Å; H139-G146 PolarHBondContact ND1-O 2.95Å; S140-G146 CarbonylContact O-C 3.59Å; G143-G146 PolarHBondContact O-N 3.4Å; G146-T150 WeakPolarHBondContact O-CB 3.36Å; G146-T150 PolarHBondContact O-OG1 2.95Å
147S97.5Very high97.3Very high0 Ų010 Ų100%05%0.05CC..Iπ-helixtrans-99.9-66.8-17886.40000109.4S140 F141 G143 T145 T150 S151 N186 T190S140-S147 PolarHBondContact O-N 2.88Å; F141-S147 WeakPolarHBondContact O-CB 3.37Å; G143-S147 WeakPolarHBondContact O-CA 3.41Å; G143-S147 WeakPolarHBondContact O-CB 3.44Å; G143-S147 PolarHBondContact O-N 3.1Å; G143-S147 PolarHBondContact O-OG 3.41Å; T145-S147 PolarHBondContact O-N 3.32Å; S147-T150 PolarHBondContact O-N 2.97Å; S147-S151 WeakPolarHBondContact O-CB 3.48Å; S147-S151 PolarHBondContact O-N 2.83Å; S147-S151 PolarHBondContact O-OG 3.06Å; S147-S151 VanDerWaalsContact O-OG 3.06Å; S147-N186 WeakPolarHBondContact OG-CB 3.31Å; S147-T190 WeakPolarHBondContact CA-OG1 3.39Å; S147-T190 WeakPolarHBondContact CB-OG1 3.43Å; S147-T190 PolarHBondContact O-OG1 3.03Å
148G97.8Very high97.2Very high0 Ų011.2 Ų11.20%06%0.059CC..Iπ-helixtrans-66.2-49.5-174.600000114.7Y103 G106 H107 G144 T150 S151 L152Y103-G148 WeakPolarHBondContact O-CA 3.41Å; G106-G148 CarbonylContact O-C 3.44Å; H107-G148 WeakPolarHBondContact CB-O 3.47Å; H107-G148 PolarHBondContact CD2-O 2.87Å; G144-G148 WeakPolarHBondContact O-CA 3.44Å; G144-G148 PolarHBondContact O-N 3.15Å; G148-T150 VanDerWaalsContact C-N 3.33Å; G148-T150 PolarHBondContact O-N 3.4Å; G148-S151 PolarHBondContact O-N 3.4Å; G148-L152 PolarHBondContact O-N 3.06Å; G148-L152 VanDerWaalsContact O-N 3.13Å
149F98.5Very high97.1Very high0 Ų017.2 Ų17.20%010%0.095CC..Iπ-helixtrans-69.7-34.7179.8179.7-101.5000111.7I9 V68 L70 G106 G111 I114 I115 V118 T145 L152 L153I9-F149 HydrophobicContact CG2-CD1 3.7Å; I9-F149 HydrophobicContact CG2-CE1 4.4Å; V68-F149 HydrophobicContact CB-CE1 4.22Å; V68-F149 HydrophobicContact CG1-CD1 4.22Å; V68-F149 HydrophobicContact CG1-CE1 3.61Å; V68-F149 HydrophobicContact CG1-CZ 4.15Å; L70-F149 HydrophobicContact CD1-CB 4.36Å; G106-F149 WeakPolarHBondContact O-CA 3.27Å; G106-F149 WeakPolarHBondContact O-CB 3.49Å; G106-F149 PolarHBondContact O-N 3.34Å; G111-F149 WeakPolarHBondContact O-CE2 3.44Å; I114-F149 HydrophobicContact CD1-CD2 4.31Å; I114-F149 HydrophobicContact CD1-CE1 4.36Å; I114-F149 HydrophobicContact CD1-CE2 3.84Å; I114-F149 HydrophobicContact CD1-CZ 3.89Å; I114-F149 HydrophobicContact CG1-CD2 4.28Å; I114-F149 HydrophobicContact CG1-CE2 3.7Å; I114-F149 HydrophobicContact CG1-CZ 4.15Å; I115-F149 HydrophobicContact CB-CE2 4.13Å; I115-F149 HydrophobicContact CD1-CE2 3.87Å; I115-F149 HydrophobicContact CD1-CZ 3.93Å; V118-F149 HydrophobicContact CB-CZ 4.14Å; V118-F149 HydrophobicContact CG1-CZ 4.31Å; V118-F149 HydrophobicContact CG2-CE1 4.32Å; V118-F149 HydrophobicContact CG2-CZ 3.76Å; T145-F149 HydrophobicContact CG2-CB 4.05Å; T145-F149 HydrophobicContact CG2-CD1 4.41Å; T145-F149 VanDerWaalsContact O-CB 3.29Å; T145-F149 WeakPolarHBondContact O-CB 3.35Å; T145-F149 PolarHBondContact O-N 3.47Å; F149-L152 HydrophobicContact CD2-CD2 4.45Å; F149-L152 PolarHBondContact O-N 3.19Å; F149-L153 HydrophobicContact CE1-CD2 4.34Å; F149-L153 WeakPolarHBondContact O-CB 3.24Å; F149-L153 PolarHBondContact O-N 3.45Å
150T98.5Very high97Very high0 Ų021.9 Ų21.90%012%0.117CC..Hα-helixtrans-62.6-45.2173.6-56.10000111.6I9 I137 H139 T145 G146 S147 G148 L152 L153 M154I9-T150 HydrophobicContact CD1-CG2 4.01Å; I9-T150 VanDerWaalsContact CG2-OG1 3.3Å; I9-T150 WeakPolarHBondContact CG2-OG1 2.91Å; I137-T150 HydrophobicContact CG2-CG2 3.81Å; H139-T150 HydrophobicContact CB-CG2 4.25Å; T145-T150 PolarHBondContact O-N 2.95Å; G146-T150 WeakPolarHBondContact O-CB 3.36Å; G146-T150 PolarHBondContact O-OG1 2.95Å; S147-T150 PolarHBondContact O-N 2.97Å; G148-T150 VanDerWaalsContact C-N 3.33Å; G148-T150 PolarHBondContact O-N 3.4Å; T150-L152 VanDerWaalsContact C-N 3.35Å; T150-L152 PolarHBondContact O-N 2.77Å; T150-L153 PolarHBondContact O-N 2.99Å; T150-L153 VanDerWaalsContact O-N 3.15Å; T150-M154 HydrophobicContact CG2-CG 4.19Å; T150-M154 HydrophobicContact CG2-SD 3.93Å; T150-M154 WeakPolarHBondContact O-CB 3.31Å; T150-M154 WeakPolarHBondContact O-CG 3.42Å; T150-M154 PolarHBondContact O-N 3.3Å
151S98.2Very high97Very high0 Ų022.9 Ų22.90%012%0.119CC..Hα-helixtrans-56.1-48.5175.6-68.30000111.6Y103 S147 G148 L153 M154 E155 T190Y103-S151 WeakPolarHBondContact OH-CB 3.23Å; S147-S151 WeakPolarHBondContact O-CB 3.48Å; S147-S151 PolarHBondContact O-N 2.83Å; S147-S151 PolarHBondContact O-OG 3.06Å; S147-S151 VanDerWaalsContact O-OG 3.06Å; G148-S151 PolarHBondContact O-N 3.4Å; S151-L153 VanDerWaalsContact C-N 3.34Å; S151-L153 PolarHBondContact O-N 2.99Å; S151-M154 PolarHBondContact O-N 3.17Å; S151-E155 WeakPolarHBondContact O-CG 3.34Å; S151-E155 PolarHBondContact O-N 2.83Å; S151-E155 VanDerWaalsContact O-N 3.09Å; S151-T190 PolarHBondContact OG-OG1 3.24Å
152L98.2Very high96.7Very high2 Ų225.3 Ų25.31%0.0114%0.144CC..Hα-helixtrans-59.5-44.3175.9177.465.2000111.7H107 K112 I115 G148 F149 T150 R156H107-L152 PolarHBondContact CD2-N 3.29Å; K112-L152 HydrophobicContact CG-CD2 4.03Å; I115-L152 HydrophobicContact CB-CD2 3.97Å; I115-L152 HydrophobicContact CD1-CD2 4.41Å; I115-L152 HydrophobicContact CD1-CG 4.29Å; I115-L152 HydrophobicContact CG1-CD2 4.08Å; I115-L152 HydrophobicContact CG1-CG 4.18Å; I115-L152 HydrophobicContact CG2-CD2 4.33Å; G148-L152 PolarHBondContact O-N 3.06Å; G148-L152 VanDerWaalsContact O-N 3.13Å; F149-L152 HydrophobicContact CD2-CD2 4.45Å; F149-L152 PolarHBondContact O-N 3.19Å; T150-L152 VanDerWaalsContact C-N 3.35Å; T150-L152 PolarHBondContact O-N 2.77Å; L152-R156 VanDerWaalsContact O-CG 3.3Å; L152-R156 WeakPolarHBondContact O-CG 3.46Å; L152-R156 PolarHBondContact O-N 2.87Å
153L98.5Very high96.6Very high2 Ų235.3 Ų35.31%0.0119%0.187CC..Hα-helixtrans-65.3-40.7179.5-17960.8000111.6L7 I9 I115 V118 L119 F149 T150 S151 R156 L157L7-L153 HydrophobicContact CD1-CD2 4.07Å; I9-L153 HydrophobicContact CD1-CD2 3.62Å; I115-L153 HydrophobicContact CD1-CB 4.09Å; I115-L153 HydrophobicContact CD1-CD1 3.69Å; I115-L153 HydrophobicContact CD1-CG 4.49Å; V118-L153 HydrophobicContact CG1-CD1 4.03Å; V118-L153 HydrophobicContact CG1-CD2 4.18Å; L119-L153 HydrophobicContact CD2-CD1 3.87Å; L119-L153 HydrophobicContact CG-CD1 4.49Å; F149-L153 HydrophobicContact CE1-CD2 4.34Å; F149-L153 WeakPolarHBondContact O-CB 3.24Å; F149-L153 PolarHBondContact O-N 3.45Å; T150-L153 PolarHBondContact O-N 2.99Å; T150-L153 VanDerWaalsContact O-N 3.15Å; S151-L153 VanDerWaalsContact C-N 3.34Å; S151-L153 PolarHBondContact O-N 2.99Å; L153-R156 PolarHBondContact O-N 3.24Å; L153-L157 HydrophobicContact CD1-CD1 4.44Å; L153-L157 HydrophobicContact CD1-CG 4.17Å; L153-L157 HydrophobicContact CG-CD1 3.99Å; L153-L157 HydrophobicContact CG-CG 4.19Å; L153-L157 WeakPolarHBondContact O-CB 3.35Å; L153-L157 VanDerWaalsContact O-CG 3.26Å; L153-L157 WeakPolarHBondContact O-CG 3.42Å; L153-L157 PolarHBondContact O-N 3.13Å
154M98.1Very high96.6Very high1 Ų139.7 Ų39.71%0.00520%0.199CC..Hα-helixtrans-66.4-37.7-179.8-75.9-175.669.200113.1I137 T150 S151 R156 L157 S158 E168 T194 H197I137-M154 HydrophobicContact CD1-CE 4.27Å; I137-M154 HydrophobicContact CD1-CG 3.8Å; I137-M154 HydrophobicContact CD1-SD 4.01Å; T150-M154 HydrophobicContact CG2-CG 4.19Å; T150-M154 HydrophobicContact CG2-SD 3.93Å; T150-M154 WeakPolarHBondContact O-CB 3.31Å; T150-M154 WeakPolarHBondContact O-CG 3.42Å; T150-M154 PolarHBondContact O-N 3.3Å; S151-M154 PolarHBondContact O-N 3.17Å; M154-R156 VanDerWaalsContact C-N 3.32Å; M154-R156 PolarHBondContact O-N 3.19Å; M154-L157 PolarHBondContact O-N 2.76Å; M154-S158 WeakPolarHBondContact O-CB 3.4Å; M154-S158 PolarHBondContact O-N 3.23Å; M154-S158 PolarHBondContact O-OG 2.94Å; M154-E168 HydrophobicContact CE-CG 4.19Å; M154-E168 HydrophobicContact SD-CG 4.26Å; M154-T194 HydrophobicContact CE-CG2 4.25Å; M154-T194 HydrophobicContact SD-CG2 3.58Å; M154-T194 VanDerWaalsContact SD-CG2 3.58Å; M154-H197 HydrophobicContact CB-CB 4.03Å; M154-H197 HydrophobicContact CE-CB 4.03Å; M154-H197 WeakPolarHBondContact CE-O 3.4Å
155E97.5Very high96.6Very high51 Ų5140 Ų4024%0.23820%0.201CC..Hα-helixtrans-55.8-49.3170-71.2166.8-150.800110.5H107 S151 S158 V159 T193 H197H107-E155 IonicContact CD2-OE1 2.79Å; H107-E155 IonicContact CE1-OE1 3.53Å; H107-E155 IonicContact NE2-OE1 3.38Å; H107-E155 PolarHBondContact NE2-OE1 3.42Å; H107-E155 IonicContact NE2-OE2 2.79Å; S151-E155 WeakPolarHBondContact O-CG 3.34Å; S151-E155 PolarHBondContact O-N 2.83Å; S151-E155 VanDerWaalsContact O-N 3.09Å; E155-S158 PolarHBondContact O-N 3.38Å; E155-V159 WeakPolarHBondContact O-CG2 3.25Å; E155-V159 PolarHBondContact O-N 3.35Å; E155-V159 VanDerWaalsContact O-N 3.13Å; E155-T193 HydrophobicContact CG-CG2 4.24Å; E155-T193 WeakPolarHBondContact OE1-CG2 3.42Å; E155-H197 WeakPolarHBondContact CG-NE2 3.31Å
156R97.8Very high96.6Very high108 Ų10839.9 Ų39.941%0.40820%0.2SC..Hα-helixtrans-67.8-40.5-178.5-60.5-63.5176.7142.90.2112.7I115 L119 L152 L153 M154 S158 V159 E160I115-R156 HydrophobicContact CD1-CG 4.47Å; I115-R156 HydrophobicContact CG1-CG 4.22Å; L119-R156 HydrophobicContact CD1-CB 3.85Å; L119-R156 HydrophobicContact CD1-CG 4.04Å; L119-R156 HydrophobicContact CD2-CB 3.79Å; L119-R156 HydrophobicContact CG-CB 4.38Å; L152-R156 VanDerWaalsContact O-CG 3.3Å; L152-R156 WeakPolarHBondContact O-CG 3.46Å; L152-R156 PolarHBondContact O-N 2.87Å; L153-R156 PolarHBondContact O-N 3.24Å; M154-R156 VanDerWaalsContact C-N 3.32Å; M154-R156 PolarHBondContact O-N 3.19Å; R156-S158 VanDerWaalsContact C-N 3.28Å; R156-S158 PolarHBondContact O-N 3.45Å; R156-V159 PolarHBondContact O-N 2.95Å; R156-E160 PolarHBondContact O-N 3.04Å
157L97.9Very high96.6Very high0 Ų039.7 Ų39.70%020%0.198CC..Hα-helixtrans-62.9-35.9174.1-70.9175.8000111.7L7 V122 F135 I137 L153 M154 V159 Y161 K166L7-L157 HydrophobicContact CD1-CD1 3.58Å; V122-L157 HydrophobicContact CG1-CD2 3.87Å; F135-L157 HydrophobicContact CE1-CD2 4.22Å; F135-L157 HydrophobicContact CE2-CD2 4.15Å; F135-L157 HydrophobicContact CG-CD1 4.43Å; F135-L157 HydrophobicContact CZ-CD2 3.96Å; I137-L157 HydrophobicContact CD1-CD1 4.38Å; L153-L157 HydrophobicContact CD1-CD1 4.44Å; L153-L157 HydrophobicContact CD1-CG 4.17Å; L153-L157 HydrophobicContact CG-CD1 3.99Å; L153-L157 HydrophobicContact CG-CG 4.19Å; L153-L157 WeakPolarHBondContact O-CB 3.35Å; L153-L157 VanDerWaalsContact O-CG 3.26Å; L153-L157 WeakPolarHBondContact O-CG 3.42Å; L153-L157 PolarHBondContact O-N 3.13Å; M154-L157 PolarHBondContact O-N 2.76Å; L157-V159 VanDerWaalsContact C-N 3.34Å; L157-Y161 HydrophobicContact CD2-CD2 3.88Å; L157-Y161 HydrophobicContact CD2-CE2 4.17Å; L157-Y161 CarbonylContact O-C 3.43Å; L157-Y161 VanDerWaalsContact O-CA 3.27Å; L157-Y161 WeakPolarHBondContact O-CA 3.42Å; L157-Y161 WeakPolarHBondContact O-CB 3.47Å; L157-Y161 PolarHBondContact O-N 3.42Å; L157-K166 HydrophobicContact CB-CD 4.35Å
158S96.7Very high96.6Very high26 Ų2639.7 Ų39.718%0.18220%0.198CC..Hα-helixtrans-69-34.3177.3-62.80000112M154 E155 R156 G162 K166 H197M154-S158 WeakPolarHBondContact O-CB 3.4Å; M154-S158 PolarHBondContact O-N 3.23Å; M154-S158 PolarHBondContact O-OG 2.94Å; E155-S158 PolarHBondContact O-N 3.38Å; R156-S158 VanDerWaalsContact C-N 3.28Å; R156-S158 PolarHBondContact O-N 3.45Å; S158-G162 WeakPolarHBondContact O-CA 3.38Å; S158-G162 PolarHBondContact O-N 2.96Å; S158-G162 VanDerWaalsContact O-N 3.14Å; S158-K166 WeakPolarHBondContact OG-CE 3.2Å; S158-H197 WeakPolarHBondContact OG-CB 3.16Å; S158-H197 PolarHBondContact OG-ND1 3.45Å
159V96.8Very high96.6Very high126 Ų12640 Ų4076%0.76420%0.199SC*.Hα-helixtrans-67.8-48.3173.4174.80000111.8E155 R156 L157E155-V159 WeakPolarHBondContact O-CG2 3.25Å; E155-V159 PolarHBondContact O-N 3.35Å; E155-V159 VanDerWaalsContact O-N 3.13Å; R156-V159 PolarHBondContact O-N 2.95Å; L157-V159 VanDerWaalsContact C-N 3.34Å
160E96.4Very high96.5Very high99 Ų9940 Ų4046%0.46320%0.199SC..Hα-helixtrans-82.5-32.6-175-69.1-173.5-164.400113.8R156R156-E160 PolarHBondContact O-N 3.04Å
161Y96.3Very high96.4Very high34 Ų3440.3 Ų40.313%0.13320%0.201CC..Hα-helixtrans-129.934.2-170.5-54.5-83.8000112.5V122 R123 A126 L132 F135 L157 K163 R164V122-Y161 HydrophobicContact CG1-CE2 3.96Å; R123-Y161 WeakPolarHBondContact CA-OH 3.47Å; A126-Y161 HydrophobicContact CB-CE1 3.9Å; L132-Y161 HydrophobicContact CD2-CD1 4.28Å; L132-Y161 HydrophobicContact CD2-CE1 4.46Å; F135-Y161 HydrophobicContact CE2-CD1 4.35Å; F135-Y161 AromaticContact CE2-CD2 4Å; F135-Y161 HydrophobicContact CE2-CD2 4Å; F135-Y161 AromaticContact CE2-CG 3.76Å; F135-Y161 HydrophobicContact CE2-CG 3.76Å; F135-Y161 HydrophobicContact CZ-CD1 4.12Å; F135-Y161 AromaticContact CZ-CD2 3.81Å; F135-Y161 HydrophobicContact CZ-CD2 3.81Å; F135-Y161 HydrophobicContact CZ-CE1 4.47Å; F135-Y161 HydrophobicContact CZ-CE2 4.21Å; F135-Y161 AromaticContact CZ-CG 3.8Å; F135-Y161 HydrophobicContact CZ-CG 3.8Å; L157-Y161 HydrophobicContact CD2-CD2 3.88Å; L157-Y161 HydrophobicContact CD2-CE2 4.17Å; L157-Y161 CarbonylContact O-C 3.43Å; L157-Y161 VanDerWaalsContact O-CA 3.27Å; L157-Y161 WeakPolarHBondContact O-CA 3.42Å; L157-Y161 WeakPolarHBondContact O-CB 3.47Å; L157-Y161 PolarHBondContact O-N 3.42Å; Y161-K163 PolarHBondContact O-N 2.9Å; Y161-R164 HydrophobicContact CD1-CG 4.42Å; Y161-R164 WeakPolarHBondContact O-CB 3.46Å; Y161-R164 PolarHBondContact O-N 3.14Å
162G90.3Very high96.2Very high52 Ų5240.6 Ų40.654%0.53620%0.202SC..THydrogen-bonded Turntrans-52.6-25.5-17200000116.8S158S158-G162 WeakPolarHBondContact O-CA 3.38Å; S158-G162 PolarHBondContact O-N 2.96Å; S158-G162 VanDerWaalsContact O-N 3.14Å
163K90.6Very high95.9Very high209 Ų20941 Ų4191%0.90920%0.204SC*.THydrogen-bonded Turntrans-87.7-3176.3-63.5-174.9179.5-178.70114.8Y161Y161-K163 PolarHBondContact O-N 2.9Å
164R94Very high95.4Very high108 Ų10841 Ų4141%0.40821%0.205SC..SBendtrans-96138.8-177-54.9-58.6-177.7-173.4-3.5109.6L132 F135 Y161 K166L132-R164 HydrophobicContact CD2-CG 4.46Å; L132-R164 WeakPolarHBondContact O-CD 3.36Å; L132-R164 VanDerWaalsContact O-CZ 3.25Å; L132-R164 PolarHBondContact O-NE 2.88Å; L132-R164 PolarHBondContact O-NH1 2.92Å; F135-R164 HydrophobicContact CE2-CB 4.26Å; Y161-R164 HydrophobicContact CD1-CG 4.42Å; Y161-R164 WeakPolarHBondContact O-CB 3.46Å; Y161-R164 PolarHBondContact O-N 3.14Å; R164-K166 PolarHBondContact O-NZ 3.34Å
165S95Very high94.7Very high8 Ų842.8 Ų42.86%0.05622%0.217CC..EExtended strand (participates in β ladder)trans-65.9140.6-179.1-61.50000111.3Q133 G134 F135 D199Q133-S165 PolarHBondContact O-N 2.95Å; G134-S165 CarbonylContact C-O 3.6Å; G134-S165 WeakPolarHBondContact CA-O 3.09Å; F135-S165 PolarHBondContact N-O 3.43Å; S165-D199 WeakPolarHBondContact CA-OD2 3.15Å
166K96.8Very high94Very high7 Ų748.3 Ų48.33%0.0324%0.243CC..EExtended strand (participates in β ladder)trans-123.7101175.5-71164.8-66.8-62.20107.3F135 I137 L157 S158 R164 H197 D199F135-K166 HydrophobicContact CD2-CG 4.23Å; I137-K166 HydrophobicContact CD1-CB 4.23Å; I137-K166 HydrophobicContact CD1-CG 4.43Å; L157-K166 HydrophobicContact CB-CD 4.35Å; S158-K166 WeakPolarHBondContact OG-CE 3.2Å; R164-K166 PolarHBondContact O-NZ 3.34Å; K166-H197 VanDerWaalsContact CD-O 3.28Å; K166-H197 WeakPolarHBondContact CD-O 3.37Å; K166-H197 WeakPolarHBondContact CE-O 3.17Å; K166-D199 PolarHBondContact N-OD2 3.31Å; K166-D199 IonicContact NZ-OD2 3.73Å; K166-D199 PolarHBondContact O-N 2.91Å
167L96.5Very high93.2Very high0 Ų045.9 Ų45.90%024%0.237CC..EExtended strand (participates in β ladder)trans-103.7125.3177.3-51.8-169.8000109.3F135 L136 I137 D199 C200 F202 L252 F255F135-L167 PolarHBondContact O-N 2.79Å; L136-L167 CarbonylContact C-O 3.58Å; L136-L167 WeakPolarHBondContact CA-O 3.31Å; L136-L167 HydrophobicContact CD2-CB 4.2Å; L136-L167 HydrophobicContact CD2-CD1 4.33Å; L136-L167 HydrophobicContact CD2-CG 4.49Å; I137-L167 PolarHBondContact N-O 3.3Å; L167-D199 HydrophobicContact CD2-CB 4.34Å; L167-C200 CarbonylContact C-O 3.51Å; L167-C200 WeakPolarHBondContact CA-O 3.47Å; L167-C200 HydrophobicContact CD2-CB 3.8Å; L167-F202 HydrophobicContact CB-CE2 4.14Å; L167-F202 HydrophobicContact CD1-CE2 3.98Å; L167-F202 HydrophobicContact CD1-CZ 4.36Å; L167-L252 HydrophobicContact CD1-CB 4.32Å; L167-L252 HydrophobicContact CD1-CD2 3.45Å; L167-L252 VanDerWaalsContact CD1-CD2 3.45Å; L167-L252 HydrophobicContact CD1-CG 4.39Å; L167-L252 HydrophobicContact CG-CD2 4.47Å; L167-F255 HydrophobicContact CD1-CD2 3.99Å
168E97.8Very high92.5Very high0 Ų048.7 Ų48.70%026%0.26CS..EExtended strand (participates in β ladder)trans-96.5140.3178.9-65.5172.6-76.100111.1I137 H139 M154 S198 C200 A201 F202I137-E168 HydrophobicContact CB-CG 4.14Å; I137-E168 HydrophobicContact CG2-CG 4.48Å; I137-E168 CarbonylContact O-C 3.29Å; I137-E168 WeakPolarHBondContact O-CA 3.05Å; H139-E168 IonicContact CE1-OE2 3.93Å; H139-E168 PolarHBondContact CE1-OE2 2.77Å; H139-E168 VanDerWaalsContact CE1-OE2 3.22Å; H139-E168 IonicContact NE2-OE2 2.71Å; H139-E168 PolarHBondContact NE2-OE2 3.39Å; M154-E168 HydrophobicContact CE-CG 4.19Å; M154-E168 HydrophobicContact SD-CG 4.26Å; E168-S198 WeakPolarHBondContact OE1-CB 3.26Å; E168-S198 PolarHBondContact OE1-OG 2.92Å; E168-C200 PolarHBondContact N-O 3.35Å; E168-A201 HydrophobicContact CB-CB 4.01Å; E168-F202 WeakPolarHBondContact O-CD2 3.33Å; E168-F202 PolarHBondContact O-N 3Å
169F97.9Very high91.7Very high7 Ų750.7 Ų50.73%0.03127%0.271CS..EExtended strand (participates in β ladder)trans-11497.9166.1-63.2-83.9000106.4L136 I137 F138 H139 F202 V235 I238L136-F169 HydrophobicContact CB-CE2 4Å; L136-F169 HydrophobicContact CD2-CE2 4.07Å; L136-F169 HydrophobicContact CG-CE2 4.4Å; I137-F169 PolarHBondContact O-N 3.41Å; F138-F169 HydrophobicContact CD1-CB 3.6Å; F138-F169 AromaticContact CD1-CD2 3.97Å; F138-F169 HydrophobicContact CD1-CD2 3.97Å; F138-F169 AromaticContact CD1-CG 3.97Å; F138-F169 HydrophobicContact CD1-CG 3.97Å; F138-F169 HydrophobicContact CD2-CD2 4.34Å; F138-F169 HydrophobicContact CE1-CB 3.83Å; F138-F169 HydrophobicContact CE1-CD1 4.44Å; F138-F169 AromaticContact CE1-CD2 3.52Å; F138-F169 HydrophobicContact CE1-CD2 3.52Å; F138-F169 HydrophobicContact CE1-CE2 4.18Å; F138-F169 AromaticContact CE1-CG 3.67Å; F138-F169 HydrophobicContact CE1-CG 3.67Å; F138-F169 AromaticContact CE2-CD2 3.94Å; F138-F169 HydrophobicContact CE2-CD2 3.94Å; F138-F169 HydrophobicContact CE2-CE2 4.32Å; F138-F169 HydrophobicContact CG-CB 4.24Å; F138-F169 HydrophobicContact CG-CD2 4.35Å; F138-F169 AromaticContact CZ-CD2 3.5Å; F138-F169 HydrophobicContact CZ-CD2 3.5Å; F138-F169 VanDerWaalsContact CZ-CD2 3.5Å; F138-F169 AromaticContact CZ-CE2 3.8Å; F138-F169 HydrophobicContact CZ-CE2 3.8Å; F138-F169 HydrophobicContact CZ-CG 4.13Å; H139-F169 PolarHBondContact N-O 2.81Å; F169-F202 HydrophobicContact CD1-CB 4.28Å; F169-F202 AromaticContact CD1-CD2 3.97Å; F169-F202 HydrophobicContact CD1-CD2 3.97Å; F169-F202 AromaticContact CE1-CD2 3.64Å; F169-F202 HydrophobicContact CE1-CD2 3.64Å; F169-F202 HydrophobicContact CE1-CE2 4.25Å; F169-F202 HydrophobicContact CE1-CG 4.46Å; F169-F202 HydrophobicContact CZ-CD2 4.02Å; F169-F202 HydrophobicContact CZ-CE2 4.26Å; F169-V235 HydrophobicContact CD1-CB 4.47Å; F169-V235 HydrophobicContact CD1-CG1 4.41Å; F169-V235 HydrophobicContact CD1-CG2 3.64Å; F169-V235 HydrophobicContact CE1-CB 4.13Å; F169-V235 HydrophobicContact CE1-CG1 3.94Å; F169-V235 HydrophobicContact CE1-CG2 3.78Å; F169-V235 HydrophobicContact CE2-CG1 4.21Å; F169-V235 HydrophobicContact CG-CG2 4.19Å; F169-V235 HydrophobicContact CZ-CG1 3.83Å; F169-V235 HydrophobicContact CZ-CG2 4.48Å; F169-I238 HydrophobicContact CE1-CD1 3.59Å; F169-I238 HydrophobicContact CE1-CG2 4.44Å; F169-I238 HydrophobicContact CZ-CD1 4.34Å; F169-I238 HydrophobicContact CZ-CG2 4.16Å
170A96.5Very high91.2Very high0 Ų045.3 Ų45.30%024%0.241CC..EExtended strand (participates in β ladder)trans-114.8124.5-162.700000111.6F141 Y172 F202 M203 V204F141-A170 HydrophobicContact CD2-CB 3.78Å; F141-A170 HydrophobicContact CE2-CB 3.4Å; F141-A170 HydrophobicContact CZ-CB 4.42Å; A170-Y172 PolarHBondContact O-N 3.03Å; A170-F202 PolarHBondContact N-O 3.4Å; A170-F202 VanDerWaalsContact N-O 3.11Å; A170-M203 HydrophobicContact CB-SD 4Å; A170-V204 WeakPolarHBondContact O-CG2 3.32Å; A170-V204 PolarHBondContact O-N 3.24Å; A170-V204 VanDerWaalsContact O-N 3.07Å
171I96.2Very high91Very high6 Ų646.7 Ų46.73%0.03125%0.25CC..EExtended strand (participates in β ladder)trans-81.7111.2165.5-53-172.7000108.7A12 M16 H139 S140 F141 V204 I231A12-I171 HydrophobicContact CB-CD1 3.91Å; M16-I171 HydrophobicContact CE-CD1 4.13Å; M16-I171 HydrophobicContact CE-CG1 3.86Å; M16-I171 HydrophobicContact CG-CD1 4.22Å; M16-I171 HydrophobicContact SD-CD1 3.81Å; M16-I171 HydrophobicContact SD-CG1 3.68Å; H139-I171 PolarHBondContact O-N 3.16Å; S140-I171 WeakPolarHBondContact CA-O 3.28Å; S140-I171 PolarHBondContact OG-O 2.99Å; F141-I171 PolarHBondContact N-O 3.39Å; F141-I171 VanDerWaalsContact N-O 3.11Å; I171-V204 WeakPolarHBondContact CA-O 3.47Å; I171-V204 HydrophobicContact CG1-CG2 4.16Å; I171-I231 HydrophobicContact CD1-CD1 4.49Å
172Y94.7Very high91Very high6 Ų645.3 Ų45.32%0.02425%0.245CC..EExtended strand (participates in β ladder)trans-88.5152179.3-164.3-103.2000112.1F141 A170 A174 M203 V204 A387 W388 L391F141-Y172 HydrophobicContact CB-CD2 4.45Å; F141-Y172 AromaticContact CD1-CD2 3.92Å; F141-Y172 HydrophobicContact CD1-CD2 3.92Å; F141-Y172 AromaticContact CD1-CE2 3.98Å; F141-Y172 HydrophobicContact CD1-CE2 3.98Å; F141-Y172 HydrophobicContact CE1-CD2 4.37Å; F141-Y172 HydrophobicContact CE1-CE2 4.38Å; F141-Y172 HydrophobicContact CG-CD2 4.15Å; A170-Y172 PolarHBondContact O-N 3.03Å; Y172-A174 PolarHBondContact O-N 2.86Å; Y172-M203 HydrophobicContact CD2-CE 3.13Å; Y172-M203 HydrophobicContact CE2-CE 3.82Å; Y172-M203 HydrophobicContact CG-CE 3.65Å; Y172-V204 PolarHBondContact N-O 3.35Å; Y172-A387 HydrophobicContact CE1-CB 3.9Å; Y172-W388 HydrophobicContact CD2-CH2 4.38Å; Y172-W388 HydrophobicContact CD2-CZ3 4.41Å; Y172-W388 HydrophobicContact CE2-CE3 4.06Å; Y172-W388 AromaticContact CE2-CH2 3.57Å; Y172-W388 HydrophobicContact CE2-CH2 3.57Å; Y172-W388 AromaticContact CE2-CZ3 3.25Å; Y172-W388 HydrophobicContact CE2-CZ3 3.25Å; Y172-W388 AromaticContact CZ-CE3 3.77Å; Y172-W388 AromaticContact CZ-CZ3 3.47Å; Y172-W388 VanDerWaalsContact CZ-CZ3 3.47Å; Y172-W388 WeakPolarHBondContact OH-CZ3 2.82Å; Y172-L391 HydrophobicContact CE2-CD2 4.42Å; Y172-L391 VanDerWaalsContact OH-CD2 3.23Å; Y172-L391 WeakPolarHBondContact OH-CD2 3.34Å
173P92.1Very high91.2Very high10 Ų1043.2 Ų43.27%0.06522%0.221CC..PPolyproline II helixtrans-54.5128.4176-30.237.7000113.4E183 S187 L391P173-E183 HydrophobicContact CB-CG 4.02Å; P173-E183 HydrophobicContact CG-CG 3.83Å; P173-S187 WeakPolarHBondContact CG-OG 3.45Å; P173-L391 HydrophobicContact CG-CD1 4.27Å
174A88.1Confident91.5Very high3 Ų333.7 Ų33.73%0.02518%0.181CC..PPolyproline II helixtrans-83.1152.5172.300000111.4Y172 Q176 I177 E207 K394Y172-A174 PolarHBondContact O-N 2.86Å; A174-Q176 PolarHBondContact O-N 2.85Å; A174-I177 HydrophobicContact CB-CB 4.07Å; A174-E207 HydrophobicContact CB-CB 3.61Å; A174-K394 PolarHBondContact O-NZ 2.97Å
175P82.2Confident91.7Very high38 Ų3828.6 Ų28.625%0.24716%0.161CC..SBendtrans-56-47.2176.6-27.734.8000114E207 K304 K394P175-E207 VanDerWaalsContact CD-OE2 3.29Å; P175-E207 WeakPolarHBondContact CD-OE2 3.39Å; P175-K304 HydrophobicContact CG-CB 3.9Å; P175-K304 HydrophobicContact CG-CG 4.21Å; P175-K394 PolarHBondContact O-NZ 3.36Å
176Q83.9Confident91.8Very high168 Ų16828.2 Ų28.279%0.78516%0.159SC*.SBendtrans-112.2-15.1-171.5-55.3-175.714.300114A174 E207A174-Q176 PolarHBondContact O-N 2.85Å; Q176-E207 WeakPolarHBondContact CB-OE2 3.28Å; Q176-E207 PolarHBondContact N-OE2 3.38Å
177I81.4Confident91.8Very high56 Ų5627.9 Ų27.929%0.28716%0.157SC..  trans-112.283.3-178.7-52.5178.2000108.7A174 E207 Y210A174-I177 HydrophobicContact CB-CB 4.07Å; I177-E207 HydrophobicContact CD1-CB 3.92Å; I177-E207 HydrophobicContact CD1-CG 4.1Å; I177-E207 HydrophobicContact CG1-CB 4.3Å; I177-E207 HydrophobicContact CG1-CG 4.39Å; I177-Y210 HydrophobicContact CD1-CD2 3.52Å; I177-Y210 HydrophobicContact CD1-CE2 3.98Å; I177-Y210 HydrophobicContact CD1-CG 4.43Å
178A81.9Confident91.9Very high60 Ų6027.9 Ų27.950%0.49616%0.157SC..  trans-89.9133.4171.900000110.1E183A178-E183 WeakPolarHBondContact CA-OE2 3.22Å; A178-E183 WeakPolarHBondContact CB-OE2 3.26Å
179T79.5Confident91.9Very high67 Ų6727.9 Ų27.941%0.41116%0.157SC..SBendtrans-85.6-25.4178.556.50000112.9E183T179-E183 PolarHBondContact N-OE1 2.82Å; T179-E183 PolarHBondContact OG1-OE1 3.03Å
180A87.6Confident91.9Very high14 Ų1427.6 Ų27.612%0.11616%0.156CC..SBendtrans-141.8151.9177.800000111.2N101 V182 E183N101-A180 HydrophobicContact CB-CB 3.7Å; A180-V182 PolarHBondContact O-N 2.64Å; A180-E183 HydrophobicContact CB-CB 4.46Å; A180-E183 WeakPolarHBondContact O-CB 3.46Å; A180-E183 PolarHBondContact O-N 3.01Å
181I91.9Very high91.9Very high127 Ų12727.7 Ų27.765%0.65116%0.157SC*.THydrogen-bonded Turntrans-64.8-33.7177.9-61.2168.5000111.1E183 M398 F404I181-E183 VanDerWaalsContact C-N 3.35Å; I181-M398 WeakPolarHBondContact O-CE 3.43Å; I181-F404 HydrophobicContact CG2-CD2 4.26Å; I181-F404 HydrophobicContact CG2-CE2 3.43Å; I181-F404 VanDerWaalsContact CG2-CE2 3.43Å; I181-F404 HydrophobicContact CG2-CZ 3.7Å
182V95.4Very high91.9Very high6 Ų629.6 Ų29.64%0.03617%0.165CC..THydrogen-bonded Turntrans-93.49.9-178.3-58.30000113.7N101 A180 P184 Y185 N186 F404 W407 Y408N101-V182 HydrophobicContact CB-CG2 4.48Å; N101-V182 WeakPolarHBondContact O-CG2 3.39Å; A180-V182 PolarHBondContact O-N 2.64Å; V182-P184 VanDerWaalsContact C-N 3.26Å; V182-Y185 PolarHBondContact O-N 3Å; V182-Y185 VanDerWaalsContact O-N 3.07Å; V182-N186 PolarHBondContact O-N 3.42Å; V182-N186 VanDerWaalsContact O-N 3.15Å; V182-F404 HydrophobicContact CG1-CB 3.72Å; V182-F404 HydrophobicContact CG1-CD1 4.29Å; V182-F404 HydrophobicContact CG1-CD2 3.95Å; V182-F404 HydrophobicContact CG1-CG 3.72Å; V182-W407 HydrophobicContact CG1-CE3 4.43Å; V182-Y408 HydrophobicContact CB-CE2 4.3Å; V182-Y408 VanDerWaalsContact CB-OH 3.27Å; V182-Y408 WeakPolarHBondContact CB-OH 3.21Å; V182-Y408 HydrophobicContact CG1-CE2 4.38Å; V182-Y408 WeakPolarHBondContact CG2-OH 3.5Å; V182-Y408 PolarHBondContact O-OH 3.47Å
183E95.7Very high92Very high7 Ų730.4 Ų30.43%0.03317%0.171CC..Hα-helixtrans-49.1-38.8175.9176.6177.4-8100113.4P173 A178 T179 A180 I181 Y185 N186 S187P173-E183 HydrophobicContact CB-CG 4.02Å; P173-E183 HydrophobicContact CG-CG 3.83Å; A178-E183 WeakPolarHBondContact CA-OE2 3.22Å; A178-E183 WeakPolarHBondContact CB-OE2 3.26Å; T179-E183 PolarHBondContact N-OE1 2.82Å; T179-E183 PolarHBondContact OG1-OE1 3.03Å; A180-E183 HydrophobicContact CB-CB 4.46Å; A180-E183 WeakPolarHBondContact O-CB 3.46Å; A180-E183 PolarHBondContact O-N 3.01Å; I181-E183 VanDerWaalsContact C-N 3.35Å; E183-Y185 PolarHBondContact O-N 3.03Å; E183-N186 PolarHBondContact O-N 3.4Å; E183-S187 WeakPolarHBondContact O-CB 3.35Å; E183-S187 PolarHBondContact O-N 2.91Å; E183-S187 PolarHBondContact O-OG 3.16Å
184P96.4Very high92.3Very high10 Ų1029.9 Ų29.97%0.06517%0.168CC..Hα-helixtrans-61.5-43.2176.4-26.637.4000114.3V182 S187 I188 L391 K394 F395 M398V182-P184 VanDerWaalsContact C-N 3.26Å; P184-S187 PolarHBondContact O-N 3.31Å; P184-I188 WeakPolarHBondContact O-CG1 3.43Å; P184-I188 PolarHBondContact O-N 2.9Å; P184-I188 VanDerWaalsContact O-N 3.12Å; P184-L391 HydrophobicContact CB-CD1 4.11Å; P184-K394 HydrophobicContact CB-CB 4.04Å; P184-K394 HydrophobicContact CG-CB 3.78Å; P184-K394 HydrophobicContact CG-CD 4.3Å; P184-F395 HydrophobicContact CB-CB 4.47Å; P184-M398 HydrophobicContact CB-SD 4.16Å; P184-M398 HydrophobicContact CG-SD 3.79Å
185Y97.7Very high92.6Very high0 Ų030.3 Ų30.30%017%0.17CC..Hα-helixtrans-64.5-48.3177.1-72.4-13000111.6V182 E183 S187 I188 L189 F395 M398 Y399 A403 F404 V405 Y408 F418V182-Y185 PolarHBondContact O-N 3Å; V182-Y185 VanDerWaalsContact O-N 3.07Å; E183-Y185 PolarHBondContact O-N 3.03Å; Y185-S187 PolarHBondContact O-N 3.2Å; Y185-I188 PolarHBondContact O-N 2.75Å; Y185-L189 WeakPolarHBondContact O-CB 3.42Å; Y185-L189 WeakPolarHBondContact O-CD1 3.06Å; Y185-L189 VanDerWaalsContact O-CG 3.25Å; Y185-L189 WeakPolarHBondContact O-CG 3.47Å; Y185-L189 PolarHBondContact O-N 2.83Å; Y185-F395 AromaticContact CD1-CD2 3.36Å; Y185-F395 HydrophobicContact CD1-CD2 3.36Å; Y185-F395 AromaticContact CD1-CE2 3.47Å; Y185-F395 HydrophobicContact CD1-CE2 3.47Å; Y185-F395 VanDerWaalsContact CD1-CE2 3.47Å; Y185-F395 HydrophobicContact CD1-CG 4.19Å; Y185-F395 HydrophobicContact CD1-CZ 4.36Å; Y185-F395 AromaticContact CE1-CD2 3.8Å; Y185-F395 HydrophobicContact CE1-CD2 3.8Å; Y185-F395 AromaticContact CE1-CE2 3.83Å; Y185-F395 HydrophobicContact CE1-CE2 3.83Å; Y185-F395 HydrophobicContact CE1-CG 4.26Å; Y185-F395 HydrophobicContact CE1-CZ 4.31Å; Y185-F395 HydrophobicContact CG-CE2 4.49Å; Y185-M398 HydrophobicContact CD2-CE 4.46Å; Y185-M398 HydrophobicContact CE1-CB 3.94Å; Y185-M398 HydrophobicContact CE2-CE 4.24Å; Y185-M398 VanDerWaalsContact OH-C 3.23Å; Y185-M398 PolarHBondContact OH-O 3.4Å; Y185-Y399 HydrophobicContact CE1-CD2 4.4Å; Y185-Y399 VanDerWaalsContact OH-CA 3.26Å; Y185-Y399 WeakPolarHBondContact OH-CA 3.47Å; Y185-Y399 PolarHBondContact OH-N 3.16Å; Y185-A403 WeakPolarHBondContact CE2-O 3.49Å; Y185-A403 PolarHBondContact OH-O 3.4Å; Y185-F404 HydrophobicContact CE2-CB 4.39Å; Y185-V405 HydrophobicContact CE2-CG2 4.25Å; Y185-Y408 WeakPolarHBondContact CB-OH 3.25Å; Y185-Y408 HydrophobicContact CD2-CD2 4.29Å; Y185-Y408 AromaticContact CD2-CE2 3.71Å; Y185-Y408 HydrophobicContact CD2-CE2 3.71Å; Y185-Y408 AromaticContact CD2-CZ 3.96Å; Y185-F418 HydrophobicContact CD1-CD1 4.32Å; Y185-F418 AromaticContact CD1-CE1 3.95Å; Y185-F418 HydrophobicContact CD1-CE1 3.95Å; Y185-F418 AromaticContact CD2-CE1 3.7Å; Y185-F418 HydrophobicContact CD2-CE1 3.7Å; Y185-F418 HydrophobicContact CD2-CZ 4.07Å; Y185-F418 HydrophobicContact CE1-CE1 4.34Å; Y185-F418 HydrophobicContact CE2-CE1 4.11Å; Y185-F418 HydrophobicContact CE2-CZ 4.3Å; Y185-F418 HydrophobicContact CG-CD1 4.4Å; Y185-F418 AromaticContact CG-CE1 3.61Å; Y185-F418 HydrophobicContact CG-CE1 3.61Å; Y185-F418 HydrophobicContact CG-CZ 4.41Å
186N97.9Very high93.1Very high0 Ų036.8 Ų36.80%020%0.196CC..Hα-helixtrans-56.9-43178.9-70.4-10.3000111.9N101 Y103 F141 G142 S147 V182 E183 T190 Y408N101-N186 PolarHBondContact O-ND2 2.69Å; Y103-N186 VanDerWaalsContact CB-OD1 3.23Å; Y103-N186 WeakPolarHBondContact CB-OD1 3.26Å; Y103-N186 PolarHBondContact N-OD1 3.14Å; F141-N186 CarbonylContact O-C 3.58Å; F141-N186 VanDerWaalsContact O-C 3.29Å; F141-N186 WeakPolarHBondContact O-CB 3.46Å; G142-N186 PolarHBondContact O-ND2 3.13Å; S147-N186 WeakPolarHBondContact OG-CB 3.31Å; V182-N186 PolarHBondContact O-N 3.42Å; V182-N186 VanDerWaalsContact O-N 3.15Å; E183-N186 PolarHBondContact O-N 3.4Å; N186-T190 VanDerWaalsContact O-CB 3.3Å; N186-T190 WeakPolarHBondContact O-CB 3.44Å; N186-T190 PolarHBondContact O-N 2.83Å; N186-T190 PolarHBondContact O-OG1 2.79Å; N186-Y408 PolarHBondContact OD1-OH 3.37Å
187S97Very high93.7Very high0 Ų030.6 Ų30.60%017%0.168CC..Hα-helixtrans-73.1-39.3-174.2-53.60000111.9F141 P173 E183 P184 Y185 T191F141-S187 WeakPolarHBondContact O-CA 3.47Å; F141-S187 PolarHBondContact O-N 3.21Å; F141-S187 PolarHBondContact O-OG 3.28Å; P173-S187 WeakPolarHBondContact CG-OG 3.45Å; E183-S187 WeakPolarHBondContact O-CB 3.35Å; E183-S187 PolarHBondContact O-N 2.91Å; E183-S187 PolarHBondContact O-OG 3.16Å; P184-S187 PolarHBondContact O-N 3.31Å; Y185-S187 PolarHBondContact O-N 3.2Å; S187-T191 WeakPolarHBondContact O-CB 3.14Å; S187-T191 PolarHBondContact O-N 3.38Å; S187-T191 PolarHBondContact O-OG1 3.11Å
188I97.5Very high94.3Very high0 Ų028.5 Ų28.50%016%0.158CC..Hα-helixtrans-66.4-47.3174.9-70.9-161.6000110.8P184 Y185 T190 T191 H192 L391 D392 F395 A421P184-I188 WeakPolarHBondContact O-CG1 3.43Å; P184-I188 PolarHBondContact O-N 2.9Å; P184-I188 VanDerWaalsContact O-N 3.12Å; Y185-I188 PolarHBondContact O-N 2.75Å; I188-T190 PolarHBondContact O-N 2.84Å; I188-T191 PolarHBondContact O-N 3.07Å; I188-H192 WeakPolarHBondContact O-CB 3.47Å; I188-H192 PolarHBondContact O-N 2.63Å; I188-L391 HydrophobicContact CD1-CG 4.27Å; I188-L391 HydrophobicContact CG1-CD2 3.65Å; I188-L391 HydrophobicContact CG1-CG 3.79Å; I188-D392 VanDerWaalsContact CD1-OD1 3.25Å; I188-D392 WeakPolarHBondContact CD1-OD1 3.48Å; I188-F395 HydrophobicContact CB-CD2 4.07Å; I188-F395 HydrophobicContact CB-CE2 4.34Å; I188-F395 HydrophobicContact CD1-CB 3.47Å; I188-F395 VanDerWaalsContact CD1-CB 3.47Å; I188-F395 HydrophobicContact CD1-CD1 4.36Å; I188-F395 HydrophobicContact CD1-CD2 3.52Å; I188-F395 HydrophobicContact CD1-CE2 4.33Å; I188-F395 HydrophobicContact CD1-CG 3.55Å; I188-F395 HydrophobicContact CG1-CB 4.49Å; I188-F395 HydrophobicContact CG1-CD2 4.09Å; I188-F395 HydrophobicContact CG2-CD2 4.27Å; I188-F395 HydrophobicContact CG2-CE2 4.17Å; I188-A421 HydrophobicContact CG2-CB 3.72Å; I188-A421 WeakPolarHBondContact CG2-O 3.36Å
189L98.3Very high95Very high1 Ų127 Ų271%0.00514%0.142CC..Hα-helixtrans-60.9-45.2178.2-69.3165.5000111.5Y103 Y185 H192 T193 Y408 M413 F418 A421Y103-L189 HydrophobicContact CD1-CB 3.96Å; Y103-L189 HydrophobicContact CD1-CD1 3.75Å; Y103-L189 HydrophobicContact CD1-CG 4.41Å; Y103-L189 HydrophobicContact CD2-CB 3.85Å; Y103-L189 HydrophobicContact CE1-CB 3.98Å; Y103-L189 HydrophobicContact CE1-CD1 4.37Å; Y103-L189 HydrophobicContact CE2-CB 3.87Å; Y103-L189 HydrophobicContact CG-CB 3.94Å; Y103-L189 HydrophobicContact CG-CD1 3.98Å; Y185-L189 WeakPolarHBondContact O-CB 3.42Å; Y185-L189 WeakPolarHBondContact O-CD1 3.06Å; Y185-L189 VanDerWaalsContact O-CG 3.25Å; Y185-L189 WeakPolarHBondContact O-CG 3.47Å; Y185-L189 PolarHBondContact O-N 2.83Å; L189-H192 PolarHBondContact O-N 3.34Å; L189-T193 PolarHBondContact O-N 3.05Å; L189-T193 PolarHBondContact O-OG1 3.22Å; L189-Y408 HydrophobicContact CD1-CD1 3.8Å; L189-Y408 HydrophobicContact CD1-CE1 3.7Å; L189-M413 HydrophobicContact CD1-CE 3.98Å; L189-M413 HydrophobicContact CD1-SD 3.88Å; L189-M413 HydrophobicContact CD2-CE 4.09Å; L189-M413 HydrophobicContact CD2-SD 4.22Å; L189-F418 HydrophobicContact CD1-CD1 4.44Å; L189-F418 HydrophobicContact CD1-CE1 4.04Å; L189-A421 HydrophobicContact CD2-CB 3.98Å
190T97.8Very high95.7Very high0 Ų023.9 Ų23.90%012%0.122CC..Hα-helixtrans-63.9-44.3176.1-73.30000112.2Y103 F141 S147 S151 N186 I188 H192 T193 T194Y103-T190 WeakPolarHBondContact CD2-OG1 3.37Å; Y103-T190 VanDerWaalsContact CE2-OG1 3.29Å; Y103-T190 WeakPolarHBondContact CE2-OG1 3.36Å; F141-T190 HydrophobicContact CD1-CG2 4.33Å; F141-T190 HydrophobicContact CD2-CG2 4.41Å; F141-T190 HydrophobicContact CE1-CG2 4.46Å; F141-T190 HydrophobicContact CG-CG2 4.3Å; S147-T190 WeakPolarHBondContact CA-OG1 3.39Å; S147-T190 WeakPolarHBondContact CB-OG1 3.43Å; S147-T190 PolarHBondContact O-OG1 3.03Å; S151-T190 PolarHBondContact OG-OG1 3.24Å; N186-T190 VanDerWaalsContact O-CB 3.3Å; N186-T190 WeakPolarHBondContact O-CB 3.44Å; N186-T190 PolarHBondContact O-N 2.83Å; N186-T190 PolarHBondContact O-OG1 2.79Å; I188-T190 PolarHBondContact O-N 2.84Å; T190-H192 VanDerWaalsContact C-N 3.3Å; T190-H192 PolarHBondContact O-N 2.8Å; T190-T193 PolarHBondContact O-N 3.24Å; T190-T194 HydrophobicContact CG2-CG2 4.05Å; T190-T194 WeakPolarHBondContact O-CB 3.44Å; T190-T194 WeakPolarHBondContact O-CG2 3.3Å; T190-T194 PolarHBondContact O-N 2.85Å; T190-T194 PolarHBondContact O-OG1 2.92Å
191T96.9Very high96.1Very high3 Ų323.2 Ų23.22%0.01812%0.117CC..Hα-helixtrans-57.1-47177.1-54.90000110.6F141 S187 I188 L195 F267 W388 L428F141-T191 WeakPolarHBondContact CD1-OG1 3.43Å; F141-T191 VanDerWaalsContact CE1-OG1 3.27Å; F141-T191 WeakPolarHBondContact CE1-OG1 3.38Å; S187-T191 WeakPolarHBondContact O-CB 3.14Å; S187-T191 PolarHBondContact O-N 3.38Å; S187-T191 PolarHBondContact O-OG1 3.11Å; I188-T191 PolarHBondContact O-N 3.07Å; T191-L195 WeakPolarHBondContact O-CB 3.18Å; T191-L195 PolarHBondContact O-N 3.31Å; T191-L195 VanDerWaalsContact O-N 3.15Å; T191-F267 HydrophobicContact CG2-CZ 4.13Å; T191-W388 HydrophobicContact CG2-CH2 4.12Å; T191-W388 HydrophobicContact CG2-CZ3 3.89Å; T191-L428 HydrophobicContact CG2-CD2 4.26Å
192H97.1Very high96.3Very high45 Ų4517.3 Ų17.321%0.2089%0.086CC..Hα-helixtrans-59.6-53.3178167.671.4000112I188 L189 T190 T194 L195 A421 D424I188-H192 WeakPolarHBondContact O-CB 3.47Å; I188-H192 PolarHBondContact O-N 2.63Å; L189-H192 PolarHBondContact O-N 3.34Å; T190-H192 VanDerWaalsContact C-N 3.3Å; T190-H192 PolarHBondContact O-N 2.8Å; H192-T194 PolarHBondContact O-N 3.41Å; H192-L195 WeakPolarHBondContact O-CB 3.43Å; H192-L195 PolarHBondContact O-N 3.11Å; H192-A421 HydrophobicContact CB-CB 3.45Å; H192-A421 VanDerWaalsContact CB-CB 3.45Å; H192-D424 IonicContact CE1-OD2 2.74Å; H192-D424 PolarHBondContact CE1-OD2 3.02Å; H192-D424 IonicContact CG-OD2 3.72Å; H192-D424 IonicContact ND1-OD2 2.62Å; H192-D424 PolarHBondContact ND1-OD2 2.95Å
193T96.6Very high96.3Very high23 Ų2317 Ų1714%0.1418%0.084CC..Hα-helixtrans-71.3-33.5-175.1-55.50000113.3Y103 E155 L189 T190 H197Y103-T193 PolarHBondContact OH-OG1 3.33Å; E155-T193 HydrophobicContact CG-CG2 4.24Å; E155-T193 WeakPolarHBondContact OE1-CG2 3.42Å; L189-T193 PolarHBondContact O-N 3.05Å; L189-T193 PolarHBondContact O-OG1 3.22Å; T190-T193 PolarHBondContact O-N 3.24Å; T193-H197 PolarHBondContact O-CD2 3.2Å; T193-H197 VanDerWaalsContact O-CD2 3.24Å
194T96.6Very high96.3Very high0 Ų017 Ų170%09%0.085CC..Hα-helixtrans-85.3-10.6-179.966.10000113.7M154 T190 H192 E196 H197 S198M154-T194 HydrophobicContact CE-CG2 4.25Å; M154-T194 HydrophobicContact SD-CG2 3.58Å; M154-T194 VanDerWaalsContact SD-CG2 3.58Å; T190-T194 HydrophobicContact CG2-CG2 4.05Å; T190-T194 WeakPolarHBondContact O-CB 3.44Å; T190-T194 WeakPolarHBondContact O-CG2 3.3Å; T190-T194 PolarHBondContact O-N 2.85Å; T190-T194 PolarHBondContact O-OG1 2.92Å; H192-T194 PolarHBondContact O-N 3.41Å; T194-E196 PolarHBondContact O-N 3.37Å; T194-E196 VanDerWaalsContact O-N 3.16Å; T194-H197 CarbonylContact O-C 3.59Å; T194-H197 PolarHBondContact O-N 2.89Å; T194-S198 PolarHBondContact O-N 3.29Å
195L95.1Very high96.2Very high12 Ų1216.6 Ų16.66%0.0638%0.082CC..THydrogen-bonded Turntrans-55.7-37.1-174.2-16169.9000113.6T191 H192 R264 H266 F267 L428T191-L195 WeakPolarHBondContact O-CB 3.18Å; T191-L195 PolarHBondContact O-N 3.31Å; T191-L195 VanDerWaalsContact O-N 3.15Å; H192-L195 WeakPolarHBondContact O-CB 3.43Å; H192-L195 PolarHBondContact O-N 3.11Å; L195-R264 HydrophobicContact CD2-CG 4.04Å; L195-R264 VanDerWaalsContact CD2-NH1 3.28Å; L195-R264 HydrophobicContact CG-CG 4.37Å; L195-H266 PolarHBondContact O-CE1 3.19Å; L195-F267 HydrophobicContact CD1-CE2 3.86Å; L195-F267 HydrophobicContact CD1-CZ 3.93Å; L195-L428 HydrophobicContact CD1-CD2 4.44Å
196E93.3Very high96Very high173 Ų17317.1 Ų17.181%0.8089%0.085SC*.THydrogen-bonded Turntrans-91.6-4.5179.5-59.3-169.4160.500113.5T194T194-E196 PolarHBondContact O-N 3.37Å; T194-E196 VanDerWaalsContact O-N 3.16Å
197H95.5Very high95.9Very high39 Ų3918.1 Ų18.118%0.1819%0.09CC..THydrogen-bonded Turntrans-117-9.1-172.3-59.8-29.5000113.1M154 E155 S158 K166 T193 T194M154-H197 HydrophobicContact CB-CB 4.03Å; M154-H197 HydrophobicContact CE-CB 4.03Å; M154-H197 WeakPolarHBondContact CE-O 3.4Å; E155-H197 WeakPolarHBondContact CG-NE2 3.31Å; S158-H197 WeakPolarHBondContact OG-CB 3.16Å; S158-H197 PolarHBondContact OG-ND1 3.45Å; K166-H197 VanDerWaalsContact CD-O 3.28Å; K166-H197 WeakPolarHBondContact CD-O 3.37Å; K166-H197 WeakPolarHBondContact CE-O 3.17Å; T193-H197 PolarHBondContact O-CD2 3.2Å; T193-H197 VanDerWaalsContact O-CD2 3.24Å; T194-H197 CarbonylContact O-C 3.59Å; T194-H197 PolarHBondContact O-N 2.89Å
198S95.2Very high95.8Very high11 Ų1118.3 Ų18.38%0.0779%0.092CC..  trans-99.3137176-164.70000111.4E168 T194E168-S198 WeakPolarHBondContact OE1-CB 3.26Å; E168-S198 PolarHBondContact OE1-OG 2.92Å; T194-S198 PolarHBondContact O-N 3.29Å
199D95Very high95.7Very high30 Ų3018.3 Ų18.316%0.169%0.092CC..SBendtrans-89-30170.6-65.4-70.6000111.5S165 K166 L167 Q256S165-D199 WeakPolarHBondContact CA-OD2 3.15Å; K166-D199 PolarHBondContact N-OD2 3.31Å; K166-D199 IonicContact NZ-OD2 3.73Å; K166-D199 PolarHBondContact O-N 2.91Å; L167-D199 HydrophobicContact CD2-CB 4.34Å; D199-Q256 HydrophobicContact CB-CG 4.49Å; D199-Q256 PolarHBondContact OD1-NE2 2.77Å
200C95.1Very high95.5Very high0 Ų019.8 Ų19.80%010%0.097CC..EExtended strand (participates in β ladder)trans-167.5129.1178.4-174.20000110L167 E168 F202L167-C200 CarbonylContact C-O 3.51Å; L167-C200 WeakPolarHBondContact CA-O 3.47Å; L167-C200 HydrophobicContact CD2-CB 3.8Å; E168-C200 PolarHBondContact N-O 3.35Å; C200-F202 HydrophobicContact CB-CZ 4.5Å; C200-F202 WeakPolarHBondContact SG-CE1 3.43Å
201A96.6Very high95.4Very high0 Ų022.9 Ų22.90%011%0.114CC..EExtended strand (participates in β ladder)trans-113.2108.1176.800000110.5E168 M203 H266 F267 P268E168-A201 HydrophobicContact CB-CB 4.01Å; A201-M203 HydrophobicContact CB-SD 4.03Å; A201-M203 PolarHBondContact O-N 3.09Å; A201-H266 PolarHBondContact N-O 3.15Å; A201-F267 HydrophobicContact CB-CD1 3.74Å; A201-F267 HydrophobicContact CB-CE1 4Å; A201-F267 CarbonylContact O-C 3.22Å; A201-F267 WeakPolarHBondContact O-CA 3.3Å; A201-P268 WeakPolarHBondContact O-CD 3.48Å
202F96.5Very high95.3Very high3 Ų322.9 Ų22.91%0.01311%0.113CC..EExtended strand (participates in β ladder)trans-79.7109176.6-56.5-61.4000109.7L167 E168 F169 A170 C200 I238 F255 L259 P268 L378L167-F202 HydrophobicContact CB-CE2 4.14Å; L167-F202 HydrophobicContact CD1-CE2 3.98Å; L167-F202 HydrophobicContact CD1-CZ 4.36Å; E168-F202 WeakPolarHBondContact O-CD2 3.33Å; E168-F202 PolarHBondContact O-N 3Å; F169-F202 HydrophobicContact CD1-CB 4.28Å; F169-F202 AromaticContact CD1-CD2 3.97Å; F169-F202 HydrophobicContact CD1-CD2 3.97Å; F169-F202 AromaticContact CE1-CD2 3.64Å; F169-F202 HydrophobicContact CE1-CD2 3.64Å; F169-F202 HydrophobicContact CE1-CE2 4.25Å; F169-F202 HydrophobicContact CE1-CG 4.46Å; F169-F202 HydrophobicContact CZ-CD2 4.02Å; F169-F202 HydrophobicContact CZ-CE2 4.26Å; A170-F202 PolarHBondContact N-O 3.4Å; A170-F202 VanDerWaalsContact N-O 3.11Å; C200-F202 HydrophobicContact CB-CZ 4.5Å; C200-F202 WeakPolarHBondContact SG-CE1 3.43Å; F202-I238 HydrophobicContact CD1-CD1 4.37Å; F202-I238 HydrophobicContact CD2-CD1 3.93Å; F202-I238 HydrophobicContact CE2-CD1 4.09Å; F202-I238 HydrophobicContact CE2-CG2 4.01Å; F202-I238 HydrophobicContact CG-CD1 4.06Å; F202-I238 HydrophobicContact CZ-CD1 4.4Å; F202-I238 HydrophobicContact CZ-CG2 4.29Å; F202-F255 HydrophobicContact CZ-CB 4.3Å; F202-F255 HydrophobicContact CZ-CD1 4.33Å; F202-F255 HydrophobicContact CZ-CD2 4.39Å; F202-F255 HydrophobicContact CZ-CG 4.09Å; F202-L259 HydrophobicContact CE1-CD1 4.2Å; F202-P268 HydrophobicContact CD1-CB 4.29Å; F202-L378 HydrophobicContact CD1-CD1 3.96Å; F202-L378 HydrophobicContact CD1-CD2 3.99Å; F202-L378 HydrophobicContact CD1-CG 4.4Å; F202-L378 HydrophobicContact CE1-CB 4.49Å; F202-L378 HydrophobicContact CE1-CD1 3.38Å; F202-L378 HydrophobicContact CE1-CD2 4.29Å; F202-L378 HydrophobicContact CE1-CG 4.23Å; F202-L378 HydrophobicContact CZ-CD1 3.9Å
203M95.2Very high95.2Very high0 Ų020.7 Ų20.70%010%0.103CC..EExtended strand (participates in β ladder)trans-87.9134-171.8-54.3-55.8-88.200111.2F141 A170 Y172 A201 F267 P268 L269 V303 I384 W388F141-M203 HydrophobicContact CE1-CE 4.29Å; F141-M203 HydrophobicContact CE2-CE 4.48Å; F141-M203 HydrophobicContact CZ-CE 4.14Å; A170-M203 HydrophobicContact CB-SD 4Å; Y172-M203 HydrophobicContact CD2-CE 3.13Å; Y172-M203 HydrophobicContact CE2-CE 3.82Å; Y172-M203 HydrophobicContact CG-CE 3.65Å; A201-M203 HydrophobicContact CB-SD 4.03Å; A201-M203 PolarHBondContact O-N 3.09Å; M203-F267 HydrophobicContact CE-CD1 4.07Å; M203-F267 HydrophobicContact CG-CB 4.01Å; M203-F267 HydrophobicContact CG-CD1 4.3Å; M203-F267 HydrophobicContact SD-CD1 3.83Å; M203-P268 PolarHBondContact N-O 3.24Å; M203-L269 HydrophobicContact CB-CD2 4.46Å; M203-V303 HydrophobicContact CB-CG2 3.94Å; M203-V303 VanDerWaalsContact O-CG2 3.24Å; M203-V303 WeakPolarHBondContact O-CG2 3.16Å; M203-I384 HydrophobicContact CG-CD1 4.48Å; M203-W388 HydrophobicContact CE-CH2 4.02Å; M203-W388 HydrophobicContact CE-CZ2 4.5Å
204V95.4Very high95.1Very high7 Ų725.7 Ų25.74%0.04212%0.12CC..EExtended strand (participates in β ladder)trans-136.2154.2167.2-63.10000109.7A170 I171 Y172 I209 I231 I234 A270 M302A170-V204 WeakPolarHBondContact O-CG2 3.32Å; A170-V204 PolarHBondContact O-N 3.24Å; A170-V204 VanDerWaalsContact O-N 3.07Å; I171-V204 WeakPolarHBondContact CA-O 3.47Å; I171-V204 HydrophobicContact CG1-CG2 4.16Å; Y172-V204 PolarHBondContact N-O 3.35Å; V204-I209 HydrophobicContact CB-CD1 4.08Å; V204-I209 HydrophobicContact CG2-CD1 4.5Å; V204-I231 HydrophobicContact CG2-CD1 3.98Å; V204-I231 HydrophobicContact CG2-CG1 4.31Å; V204-I234 HydrophobicContact CG1-CD1 4.28Å; V204-A270 HydrophobicContact CG1-CB 4.19Å; V204-M302 CarbonylContact C-O 3.54Å; V204-M302 WeakPolarHBondContact CA-O 3.21Å; V204-M302 HydrophobicContact CB-CB 4.39Å; V204-M302 HydrophobicContact CG1-CB 4.03Å
205D94.3Very high95Very high1 Ų132.1 Ų32.11%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-129.5151170.483.953.1000111.8E207 A208 I209 M302 V303 K304D205-E207 PolarHBondContact O-N 2.68Å; D205-E207 WeakPolarHBondContact OD1-CA 3.25Å; D205-E207 PolarHBondContact OD1-N 3.47Å; D205-A208 VanDerWaalsContact OD1-CB 3.26Å; D205-A208 WeakPolarHBondContact OD1-CB 3.47Å; D205-A208 PolarHBondContact OD1-N 3.18Å; D205-I209 WeakPolarHBondContact O-CD1 3.49Å; D205-I209 VanDerWaalsContact O-CG1 3.24Å; D205-I209 WeakPolarHBondContact O-CG1 3.15Å; D205-I209 PolarHBondContact O-N 3.11Å; D205-M302 PolarHBondContact N-O 3.07Å; D205-V303 WeakPolarHBondContact OD2-CA 3.45Å; D205-K304 WeakPolarHBondContact OD2-CB 3.48Å; D205-K304 WeakPolarHBondContact OD2-CG 3.41Å; D205-K304 PolarHBondContact OD2-N 3.26Å
206N93.9Very high94.9Very high12 Ų1232.8 Ų32.86%0.06415%0.151CC..Hα-helixtrans-66.8-36.7-176.4-71-35000112.3I209 Y210 L227N206-I209 PolarHBondContact O-N 3.42Å; N206-Y210 HydrophobicContact CB-CD2 4.2Å; N206-Y210 HydrophobicContact CB-CE2 4.01Å; N206-Y210 WeakPolarHBondContact O-CB 3.4Å; N206-Y210 WeakPolarHBondContact O-CD2 3.48Å; N206-Y210 PolarHBondContact O-N 3.4Å; N206-L227 HydrophobicContact CB-CD2 3.95Å
207E94.3Very high94.9Very high20 Ų2025.2 Ų25.29%0.09312%0.116CC..Hα-helixtrans-68.8-44.1-173.2-174.2-174.9141.500112.5A174 P175 Q176 I177 D205 I209 Y210 D211 K304A174-E207 HydrophobicContact CB-CB 3.61Å; P175-E207 VanDerWaalsContact CD-OE2 3.29Å; P175-E207 WeakPolarHBondContact CD-OE2 3.39Å; Q176-E207 WeakPolarHBondContact CB-OE2 3.28Å; Q176-E207 PolarHBondContact N-OE2 3.38Å; I177-E207 HydrophobicContact CD1-CB 3.92Å; I177-E207 HydrophobicContact CD1-CG 4.1Å; I177-E207 HydrophobicContact CG1-CB 4.3Å; I177-E207 HydrophobicContact CG1-CG 4.39Å; D205-E207 PolarHBondContact O-N 2.68Å; D205-E207 WeakPolarHBondContact OD1-CA 3.25Å; D205-E207 PolarHBondContact OD1-N 3.47Å; E207-I209 VanDerWaalsContact C-N 3.35Å; E207-Y210 WeakPolarHBondContact O-CB 3.46Å; E207-Y210 PolarHBondContact O-N 2.87Å; E207-D211 PolarHBondContact O-N 3.06Å; E207-K304 HydrophobicContact CB-CG 4.33Å; E207-K304 HydrophobicContact CG-CG 4.41Å; E207-K304 WeakPolarHBondContact OE1-CE 3.48Å
208A94.8Very high94.6Very high5 Ų526.1 Ų26.14%0.04114%0.136CC..Hα-helixtrans-59.6-45.6172.600000110.8D205 D211 I212 K304D205-A208 VanDerWaalsContact OD1-CB 3.26Å; D205-A208 WeakPolarHBondContact OD1-CB 3.47Å; D205-A208 PolarHBondContact OD1-N 3.18Å; A208-D211 PolarHBondContact O-N 2.99Å; A208-I212 VanDerWaalsContact O-CG1 3.29Å; A208-I212 WeakPolarHBondContact O-CG1 3.31Å; A208-I212 PolarHBondContact O-N 2.87Å; A208-K304 HydrophobicContact CB-CD 4.27Å; A208-K304 HydrophobicContact CB-CG 4.22Å
209I95.7Very high94.5Very high0 Ų026.9 Ų26.90%014%0.139CC..Hα-helixtrans-69.4-35.5179.1-56.6168.3000111.4V204 D205 N206 E207 D211 I212 C213 L227 L230 I231 M302V204-I209 HydrophobicContact CB-CD1 4.08Å; V204-I209 HydrophobicContact CG2-CD1 4.5Å; D205-I209 WeakPolarHBondContact O-CD1 3.49Å; D205-I209 VanDerWaalsContact O-CG1 3.24Å; D205-I209 WeakPolarHBondContact O-CG1 3.15Å; D205-I209 PolarHBondContact O-N 3.11Å; N206-I209 PolarHBondContact O-N 3.42Å; E207-I209 VanDerWaalsContact C-N 3.35Å; I209-D211 VanDerWaalsContact C-N 3.34Å; I209-D211 PolarHBondContact O-N 2.89Å; I209-I212 PolarHBondContact O-N 3.5Å; I209-C213 WeakPolarHBondContact O-CB 3.34Å; I209-C213 PolarHBondContact O-N 3.11Å; I209-C213 PolarHBondContact O-SG 2.81Å; I209-L227 HydrophobicContact CB-CG 3.93Å; I209-L227 HydrophobicContact CG2-CB 4.04Å; I209-L227 HydrophobicContact CG2-CD1 4.16Å; I209-L227 HydrophobicContact CG2-CG 3.59Å; I209-L230 HydrophobicContact CG2-CB 4.26Å; I209-L230 HydrophobicContact CG2-CD1 3.58Å; I209-I231 HydrophobicContact CD1-CD1 3.9Å; I209-I231 HydrophobicContact CD1-CG1 3.77Å; I209-M302 HydrophobicContact CD1-SD 4.08Å; I209-M302 HydrophobicContact CG1-CB 4.14Å; I209-M302 HydrophobicContact CG1-CG 4.32Å; I209-M302 HydrophobicContact CG1-SD 3.86Å
210Y95.1Very high94.3Very high32 Ų3228 Ų2813%0.12516%0.158CC..Hα-helixtrans-58.3-45.9171.4-85.3-61.7000111.4I177 N206 E207 C213 R214 P222 L227I177-Y210 HydrophobicContact CD1-CD2 3.52Å; I177-Y210 HydrophobicContact CD1-CE2 3.98Å; I177-Y210 HydrophobicContact CD1-CG 4.43Å; N206-Y210 HydrophobicContact CB-CD2 4.2Å; N206-Y210 HydrophobicContact CB-CE2 4.01Å; N206-Y210 WeakPolarHBondContact O-CB 3.4Å; N206-Y210 WeakPolarHBondContact O-CD2 3.48Å; N206-Y210 PolarHBondContact O-N 3.4Å; E207-Y210 WeakPolarHBondContact O-CB 3.46Å; E207-Y210 PolarHBondContact O-N 2.87Å; Y210-C213 PolarHBondContact O-N 3.25Å; Y210-R214 WeakPolarHBondContact O-CG 3.4Å; Y210-R214 PolarHBondContact O-N 2.78Å; Y210-P222 HydrophobicContact CD1-CB 3.68Å; Y210-P222 HydrophobicContact CD1-CG 3.9Å; Y210-P222 HydrophobicContact CE1-CB 3.96Å; Y210-P222 WeakPolarHBondContact CE1-O 3.27Å; Y210-L227 HydrophobicContact CD1-CD1 3.75Å; Y210-L227 HydrophobicContact CD1-CD2 4.42Å; Y210-L227 HydrophobicContact CD2-CD2 3.94Å; Y210-L227 HydrophobicContact CE1-CD1 3.68Å; Y210-L227 HydrophobicContact CE1-CD2 4.09Å; Y210-L227 HydrophobicContact CE2-CD2 3.59Å; Y210-L227 HydrophobicContact CG-CD1 4.19Å; Y210-L227 HydrophobicContact CG-CD2 4.31Å
211D95.1Very high94.2Very high65 Ų6536 Ų3635%0.34819%0.194SC..Hα-helixtrans-66.9-40.4179.2-75.9-13.9000112.3E207 A208 I209 R214 K215 K304E207-D211 PolarHBondContact O-N 3.06Å; A208-D211 PolarHBondContact O-N 2.99Å; I209-D211 VanDerWaalsContact C-N 3.34Å; I209-D211 PolarHBondContact O-N 2.89Å; D211-R214 PolarHBondContact O-N 3.28Å; D211-K215 VanDerWaalsContact O-CB 3.25Å; D211-K215 WeakPolarHBondContact O-CB 3.46Å; D211-K215 PolarHBondContact O-N 3.39Å; D211-K304 IonicContact OD2-NZ 2.62Å; D211-K304 PolarHBondContact OD2-NZ 3.44Å
212I95.4Very high94.1Very high2 Ų236.5 Ų36.51%0.0120%0.198CC..Hα-helixtrans-58.3-48.7172.4-73.5167.4000110.4A208 I209 R214 K215 N216 L230 I275 G299 M302A208-I212 VanDerWaalsContact O-CG1 3.29Å; A208-I212 WeakPolarHBondContact O-CG1 3.31Å; A208-I212 PolarHBondContact O-N 2.87Å; I209-I212 PolarHBondContact O-N 3.5Å; I212-R214 VanDerWaalsContact C-N 3.34Å; I212-R214 PolarHBondContact O-N 3.37Å; I212-K215 PolarHBondContact O-N 2.78Å; I212-N216 VanDerWaalsContact O-CB 3.29Å; I212-N216 WeakPolarHBondContact O-CB 3.49Å; I212-N216 PolarHBondContact O-N 2.92Å; I212-L230 HydrophobicContact CG2-CD1 4.18Å; I212-I275 HydrophobicContact CD1-CD1 4.48Å; I212-I275 HydrophobicContact CG2-CB 4.32Å; I212-I275 HydrophobicContact CG2-CD1 3.47Å; I212-I275 VanDerWaalsContact CG2-CD1 3.47Å; I212-I275 HydrophobicContact CG2-CG1 4.46Å; I212-I275 HydrophobicContact CG2-CG2 3.73Å; I212-G299 WeakPolarHBondContact CG1-O 3.25Å; I212-M302 HydrophobicContact CD1-CG 4.12Å
213C95.1Very high94Very high0 Ų039.7 Ų39.70%022%0.218CC..Hα-helixtrans-58.7-44.8177.9-71.10000111.8I209 Y210 L217 G218 I219 P222 L230I209-C213 WeakPolarHBondContact O-CB 3.34Å; I209-C213 PolarHBondContact O-N 3.11Å; I209-C213 PolarHBondContact O-SG 2.81Å; Y210-C213 PolarHBondContact O-N 3.25Å; C213-L217 CarbonylContact O-C 3.59Å; C213-L217 WeakPolarHBondContact O-CA 3.45Å; C213-L217 VanDerWaalsContact O-CB 3.28Å; C213-L217 WeakPolarHBondContact O-CB 3.17Å; C213-L217 PolarHBondContact O-N 3.46Å; C213-L217 VanDerWaalsContact O-N 3.16Å; C213-G218 PolarHBondContact O-N 2.83Å; C213-I219 HydrophobicContact CB-CD1 4.35Å; C213-I219 PolarHBondContact O-N 3.39Å; C213-P222 HydrophobicContact CB-CB 3.65Å; C213-P222 HydrophobicContact CB-CG 3.46Å; C213-P222 VanDerWaalsContact CB-CG 3.46Å; C213-L230 WeakPolarHBondContact SG-CD1 3.48Å
214R94.9Very high94Very high128 Ų12843.7 Ų43.748%0.48323%0.233SC..Hα-helixtrans-65.6-51.1179.8-76.7172.8174.5166.94.9112Y210 D211 I212 G218 I219 G220 P222Y210-R214 WeakPolarHBondContact O-CG 3.4Å; Y210-R214 PolarHBondContact O-N 2.78Å; D211-R214 PolarHBondContact O-N 3.28Å; I212-R214 VanDerWaalsContact C-N 3.34Å; I212-R214 PolarHBondContact O-N 3.37Å; R214-G218 WeakPolarHBondContact O-CA 3.41Å; R214-G218 PolarHBondContact O-N 3.46Å; R214-I219 WeakPolarHBondContact CA-O 3.29Å; R214-I219 VanDerWaalsContact CG-O 3.23Å; R214-I219 WeakPolarHBondContact CG-O 3.39Å; R214-G220 PolarHBondContact NE-O 3.42Å; R214-P222 HydrophobicContact CG-CG 3.89Å
215K93.5Very high94Very high134 Ų13447.1 Ų47.158%0.58325%0.254SS*.Hα-helixtrans-71.6-50.6-173.6-175.6-172.2173.6-1680111.7D211 I212 K280D211-K215 VanDerWaalsContact O-CB 3.25Å; D211-K215 WeakPolarHBondContact O-CB 3.46Å; D211-K215 PolarHBondContact O-N 3.39Å; I212-K215 PolarHBondContact O-N 2.78Å; K215-K280 PolarHBondContact O-NZ 3.47Å
216N92.5Very high94Very high27 Ų2748 Ų4814%0.14426%0.259CS..Hα-helixtrans-90.1-43.7-168.2-63.7-3.7000111.1I212 I275 K280 N300I212-N216 VanDerWaalsContact O-CB 3.29Å; I212-N216 WeakPolarHBondContact O-CB 3.49Å; I212-N216 PolarHBondContact O-N 2.92Å; N216-I275 HydrophobicContact CB-CB 4.48Å; N216-I275 HydrophobicContact CB-CG2 4.13Å; N216-I275 WeakPolarHBondContact CB-O 3.35Å; N216-K280 PolarHBondContact O-NZ 3.25Å; N216-N300 PolarHBondContact ND2-OD1 3.39Å
217L92.9Very high94.1Very high14 Ų1447.4 Ų47.47%0.07326%0.256CS..Hα-helixtrans-89.7-12.4-177.8-51.8179.1000113.8C213 I219 L230 I275 D367 L368C213-L217 CarbonylContact O-C 3.59Å; C213-L217 WeakPolarHBondContact O-CA 3.45Å; C213-L217 VanDerWaalsContact O-CB 3.28Å; C213-L217 WeakPolarHBondContact O-CB 3.17Å; C213-L217 PolarHBondContact O-N 3.46Å; C213-L217 VanDerWaalsContact O-N 3.16Å; L217-I219 VanDerWaalsContact C-N 3.29Å; L217-I219 HydrophobicContact CB-CD1 3.78Å; L217-I219 HydrophobicContact CB-CG1 3.84Å; L217-I219 HydrophobicContact CD1-CD1 3.96Å; L217-I219 PolarHBondContact O-N 2.83Å; L217-L230 HydrophobicContact CD1-CD1 4.41Å; L217-I275 HydrophobicContact CD1-CG2 4.3Å; L217-I275 HydrophobicContact CD2-CG2 3.72Å; L217-I275 HydrophobicContact CG-CG2 3.95Å; L217-D367 HydrophobicContact CD1-CB 4.11Å; L217-L368 HydrophobicContact CD2-CD2 3.97Å
218G91.1Very high94.2Very high57 Ų5746.9 Ų46.959%0.58825%0.254SS*.  trans7419.2179.400000113.8C213 R214 G220C213-G218 PolarHBondContact O-N 2.83Å; R214-G218 WeakPolarHBondContact O-CA 3.41Å; R214-G218 PolarHBondContact O-N 3.46Å; G218-G220 PolarHBondContact O-N 2.73Å
219I91.7Very high94.3Very high27 Ų2749.1 Ų49.114%0.13826%0.261CS..  trans-85.6109.8-177-54.7169.8000109C213 R214 L217 H221 P222 N226 D367C213-I219 HydrophobicContact CB-CD1 4.35Å; C213-I219 PolarHBondContact O-N 3.39Å; R214-I219 WeakPolarHBondContact CA-O 3.29Å; R214-I219 VanDerWaalsContact CG-O 3.23Å; R214-I219 WeakPolarHBondContact CG-O 3.39Å; L217-I219 VanDerWaalsContact C-N 3.29Å; L217-I219 HydrophobicContact CB-CD1 3.78Å; L217-I219 HydrophobicContact CB-CG1 3.84Å; L217-I219 HydrophobicContact CD1-CD1 3.96Å; L217-I219 PolarHBondContact O-N 2.83Å; I219-H221 PolarHBondContact O-N 3.27Å; I219-P222 HydrophobicContact CB-CG 4.22Å; I219-P222 HydrophobicContact CG2-CB 4.14Å; I219-P222 HydrophobicContact CG2-CG 4.06Å; I219-P222 WeakPolarHBondContact O-CD 3.45Å; I219-N226 HydrophobicContact CD1-CB 4.31Å; I219-D367 HydrophobicContact CD1-CB 3.87Å
220G91.7Very high94.3Very high54 Ų5449.2 Ų49.256%0.55726%0.262SS*.SBendtrans-62.6-42.4-177.800000114R214 G218R214-G220 PolarHBondContact NE-O 3.42Å; G218-G220 PolarHBondContact O-N 2.73Å
221H93Very high94.4Very high167 Ų16747.9 Ų47.977%0.77326%0.257SS*.SBendtrans-125.682.3177.1-60.7-74000109.9I219I219-H221 PolarHBondContact O-N 3.27Å
222P94.6Very high94.5Very high12 Ų1244.9 Ų44.98%0.07824%0.241CC..  trans-62.6156.1175.2-11.925.7000110.2Y210 C213 R214 I219 N226 L227Y210-P222 HydrophobicContact CD1-CB 3.68Å; Y210-P222 HydrophobicContact CD1-CG 3.9Å; Y210-P222 HydrophobicContact CE1-CB 3.96Å; Y210-P222 WeakPolarHBondContact CE1-O 3.27Å; C213-P222 HydrophobicContact CB-CB 3.65Å; C213-P222 HydrophobicContact CB-CG 3.46Å; C213-P222 VanDerWaalsContact CB-CG 3.46Å; R214-P222 HydrophobicContact CG-CG 3.89Å; I219-P222 HydrophobicContact CB-CG 4.22Å; I219-P222 HydrophobicContact CG2-CB 4.14Å; I219-P222 HydrophobicContact CG2-CG 4.06Å; I219-P222 WeakPolarHBondContact O-CD 3.45Å; P222-N226 HydrophobicContact CB-CB 4.41Å; P222-L227 HydrophobicContact CB-CD1 4.08Å
223T94.5Very high94.6Very high70 Ų7045.2 Ų45.243%0.42924%0.242SC..  trans-124.2167178.765.40000109.5T225 N226 L227T223-T225 PolarHBondContact O-N 3.39Å; T223-T225 VanDerWaalsContact O-N 3.1Å; T223-T225 PolarHBondContact OG1-N 2.83Å; T223-N226 PolarHBondContact N-OD1 3.34Å; T223-N226 WeakPolarHBondContact O-CB 3.06Å; T223-N226 PolarHBondContact O-N 2.66Å; T223-N226 PolarHBondContact OG1-OD1 2.6Å; T223-L227 WeakPolarHBondContact O-CD1 3.25Å; T223-L227 PolarHBondContact O-N 2.88Å; T223-L227 VanDerWaalsContact O-N 3.16Å
224Y94.2Very high94.6Very high83 Ų8345.4 Ų45.433%0.32524%0.243SC..Hα-helixtrans-56.3-27.7174.8-68.7-62000113.2N226 L227 N228Y224-N226 VanDerWaalsContact C-N 3.35Å; Y224-N226 PolarHBondContact O-N 2.87Å; Y224-L227 HydrophobicContact CD1-CD2 4.19Å; Y224-L227 PolarHBondContact O-N 3.35Å; Y224-N228 VanDerWaalsContact O-CB 3.23Å; Y224-N228 WeakPolarHBondContact O-CB 3.24Å; Y224-N228 PolarHBondContact O-N 3.22Å; Y224-N228 PolarHBondContact O-ND2 3.03Å; Y224-N228 VanDerWaalsContact O-ND2 3.16Å
225T94.9Very high94.7Very high79 Ų7939.3 Ų39.349%0.48522%0.22SC..Hα-helixtrans-61.9-41.5172.3-550000112.1T223 R229T223-T225 PolarHBondContact O-N 3.39Å; T223-T225 VanDerWaalsContact O-N 3.1Å; T223-T225 PolarHBondContact OG1-N 2.83Å; T225-R229 WeakPolarHBondContact O-CB 3.38Å; T225-R229 WeakPolarHBondContact O-CG 3.06Å; T225-R229 PolarHBondContact O-N 2.92Å
226N95Very high94.8Very high19 Ų1932.9 Ų32.910%0.10219%0.193CC..Hα-helixtrans-68-45.2177.7-50.9109.1000110.6I219 P222 T223 Y224 R229 L230 D367I219-N226 HydrophobicContact CD1-CB 4.31Å; P222-N226 HydrophobicContact CB-CB 4.41Å; T223-N226 PolarHBondContact N-OD1 3.34Å; T223-N226 WeakPolarHBondContact O-CB 3.06Å; T223-N226 PolarHBondContact O-N 2.66Å; T223-N226 PolarHBondContact OG1-OD1 2.6Å; Y224-N226 VanDerWaalsContact C-N 3.35Å; Y224-N226 PolarHBondContact O-N 2.87Å; N226-R229 PolarHBondContact O-N 3.25Å; N226-L230 PolarHBondContact O-N 3.37Å; N226-D367 PolarHBondContact ND2-OD2 2.64Å
227L95.6Very high94.9Very high0 Ų031.8 Ų31.80%019%0.187CC..Hα-helixtrans-60-51.9178.6-85.357.3000111.3N206 I209 Y210 P222 T223 Y224 R229 L230 I231N206-L227 HydrophobicContact CB-CD2 3.95Å; I209-L227 HydrophobicContact CB-CG 3.93Å; I209-L227 HydrophobicContact CG2-CB 4.04Å; I209-L227 HydrophobicContact CG2-CD1 4.16Å; I209-L227 HydrophobicContact CG2-CG 3.59Å; Y210-L227 HydrophobicContact CD1-CD1 3.75Å; Y210-L227 HydrophobicContact CD1-CD2 4.42Å; Y210-L227 HydrophobicContact CD2-CD2 3.94Å; Y210-L227 HydrophobicContact CE1-CD1 3.68Å; Y210-L227 HydrophobicContact CE1-CD2 4.09Å; Y210-L227 HydrophobicContact CE2-CD2 3.59Å; Y210-L227 HydrophobicContact CG-CD1 4.19Å; Y210-L227 HydrophobicContact CG-CD2 4.31Å; P222-L227 HydrophobicContact CB-CD1 4.08Å; T223-L227 WeakPolarHBondContact O-CD1 3.25Å; T223-L227 PolarHBondContact O-N 2.88Å; T223-L227 VanDerWaalsContact O-N 3.16Å; Y224-L227 HydrophobicContact CD1-CD2 4.19Å; Y224-L227 PolarHBondContact O-N 3.35Å; L227-R229 VanDerWaalsContact C-N 3.27Å; L227-R229 PolarHBondContact O-N 3.26Å; L227-L230 WeakPolarHBondContact O-CB 3.32Å; L227-L230 PolarHBondContact O-N 3.4Å; L227-I231 WeakPolarHBondContact O-CG1 3.47Å; L227-I231 PolarHBondContact O-N 3Å
228N96.7Very high95Very high9 Ų931.1 Ų31.15%0.04818%0.184CC..Hα-helixtrans-65.4-29.6-176.8-67.8-22.5000112.5Q15 A19 Y224 I231 A232Q15-N228 WeakPolarHBondContact CB-ND2 3.18Å; A19-N228 HydrophobicContact CB-CB 3.78Å; A19-N228 WeakPolarHBondContact CB-O 3.32Å; Y224-N228 VanDerWaalsContact O-CB 3.23Å; Y224-N228 WeakPolarHBondContact O-CB 3.24Å; Y224-N228 PolarHBondContact O-N 3.22Å; Y224-N228 PolarHBondContact O-ND2 3.03Å; Y224-N228 VanDerWaalsContact O-ND2 3.16Å; N228-I231 PolarHBondContact O-N 2.89Å; N228-A232 WeakPolarHBondContact O-CB 3.17Å; N228-A232 PolarHBondContact O-N 3.15Å
229R96.3Very high95.1Very high53 Ų5328.4 Ų28.420%0.216%0.156CC..Hα-helixtrans-69.7-33.1172.7-78.9178.2171161.7-3113A19 E22 T225 N226 L227 Q233A19-R229 HydrophobicContact CB-CG 4.49Å; E22-R229 IonicContact OE1-NH2 3.27Å; E22-R229 PolarHBondContact OE1-NH2 3.17Å; E22-R229 IonicContact OE2-CZ 3.65Å; E22-R229 IonicContact OE2-NE 3.15Å; E22-R229 PolarHBondContact OE2-NE 3.12Å; E22-R229 VanDerWaalsContact OE2-NE 3.15Å; E22-R229 IonicContact OE2-NH2 3.21Å; E22-R229 PolarHBondContact OE2-NH2 2.96Å; T225-R229 WeakPolarHBondContact O-CB 3.38Å; T225-R229 WeakPolarHBondContact O-CG 3.06Å; T225-R229 PolarHBondContact O-N 2.92Å; N226-R229 PolarHBondContact O-N 3.25Å; L227-R229 VanDerWaalsContact C-N 3.27Å; L227-R229 PolarHBondContact O-N 3.26Å; R229-Q233 PolarHBondContact O-N 2.97Å
230L96.1Very high95.1Very high2 Ų227.2 Ų27.21%0.0115%0.15CC..Hα-helixtrans-68.8-44.8171.1-75.4172000111.2I209 I212 C213 L217 N226 L227 A232 Q233 I234 I275 M302 L368I209-L230 HydrophobicContact CG2-CB 4.26Å; I209-L230 HydrophobicContact CG2-CD1 3.58Å; I212-L230 HydrophobicContact CG2-CD1 4.18Å; C213-L230 WeakPolarHBondContact SG-CD1 3.48Å; L217-L230 HydrophobicContact CD1-CD1 4.41Å; N226-L230 PolarHBondContact O-N 3.37Å; L227-L230 WeakPolarHBondContact O-CB 3.32Å; L227-L230 PolarHBondContact O-N 3.4Å; L230-A232 VanDerWaalsContact C-N 3.28Å; L230-A232 PolarHBondContact O-N 3.09Å; L230-Q233 WeakPolarHBondContact O-CB 3.41Å; L230-Q233 PolarHBondContact O-N 2.77Å; L230-Q233 VanDerWaalsContact O-N 3.09Å; L230-I234 PolarHBondContact O-N 2.79Å; L230-I275 HydrophobicContact CD2-CD1 4.31Å; L230-I275 HydrophobicContact CD2-CG1 4.31Å; L230-I275 HydrophobicContact CD2-CG2 3.91Å; L230-M302 HydrophobicContact CB-CE 4.48Å; L230-L368 HydrophobicContact CD2-CD1 4.09Å; L230-L368 HydrophobicContact CD2-CD2 3.91Å; L230-L368 HydrophobicContact CD2-CG 4.32Å
231I97.1Very high95Very high4 Ų425.5 Ų25.52%0.02113%0.129CC..Hα-helixtrans-58.1-44.5174.9-63.4168.7000109.9M16 I171 V204 I209 L227 N228 Q233 I234 V235M16-I231 HydrophobicContact CG-CD1 4.26Å; M16-I231 HydrophobicContact CG-CG2 4.46Å; M16-I231 HydrophobicContact SD-CD1 4Å; M16-I231 HydrophobicContact SD-CG2 3.98Å; I171-I231 HydrophobicContact CD1-CD1 4.49Å; V204-I231 HydrophobicContact CG2-CD1 3.98Å; V204-I231 HydrophobicContact CG2-CG1 4.31Å; I209-I231 HydrophobicContact CD1-CD1 3.9Å; I209-I231 HydrophobicContact CD1-CG1 3.77Å; L227-I231 WeakPolarHBondContact O-CG1 3.47Å; L227-I231 PolarHBondContact O-N 3Å; N228-I231 PolarHBondContact O-N 2.89Å; I231-Q233 PolarHBondContact O-N 3.29Å; I231-Q233 VanDerWaalsContact O-N 3.17Å; I231-I234 WeakPolarHBondContact O-CA 3.47Å; I231-I234 WeakPolarHBondContact O-CB 3.18Å; I231-I234 PolarHBondContact O-N 3.4Å; I231-V235 HydrophobicContact CG2-CG2 3.95Å; I231-V235 VanDerWaalsContact O-CG2 3.27Å; I231-V235 WeakPolarHBondContact O-CG2 3.46Å; I231-V235 PolarHBondContact O-N 2.92Å
232A97.6Very high94.8Very high2 Ų218.1 Ų18.12%0.01710%0.095CC..Hα-helixtrans-56.3-33.8177.200000113.2A19 L23 N228 L230 S236A19-A232 HydrophobicContact CB-CB 4.22Å; L23-A232 HydrophobicContact CB-CB 4.48Å; L23-A232 HydrophobicContact CD2-CB 4.03Å; L23-A232 WeakPolarHBondContact CD2-O 3.42Å; N228-A232 WeakPolarHBondContact O-CB 3.17Å; N228-A232 PolarHBondContact O-N 3.15Å; L230-A232 VanDerWaalsContact C-N 3.28Å; L230-A232 PolarHBondContact O-N 3.09Å; A232-S236 VanDerWaalsContact O-CB 3.24Å; A232-S236 WeakPolarHBondContact O-CB 3.02Å; A232-S236 PolarHBondContact O-N 2.75Å
233Q97Very high94.6Very high8 Ų817.6 Ų17.64%0.0379%0.092CC..Hα-helixtrans-67.7-37.8174.6-66.7-63.9-26.400112.7R229 L230 I231 S237 Y272 T361 L368R229-Q233 PolarHBondContact O-N 2.97Å; L230-Q233 WeakPolarHBondContact O-CB 3.41Å; L230-Q233 PolarHBondContact O-N 2.77Å; L230-Q233 VanDerWaalsContact O-N 3.09Å; I231-Q233 PolarHBondContact O-N 3.29Å; I231-Q233 VanDerWaalsContact O-N 3.17Å; Q233-S237 WeakPolarHBondContact O-CB 3.45Å; Q233-S237 PolarHBondContact O-N 2.66Å; Q233-S237 PolarHBondContact O-OG 2.7Å; Q233-Y272 HydrophobicContact CB-CD2 4.4Å; Q233-Y272 HydrophobicContact CB-CE1 4.26Å; Q233-Y272 HydrophobicContact CB-CE2 3.94Å; Q233-T361 PolarHBondContact NE2-O 3.08Å; Q233-L368 HydrophobicContact CG-CD1 3.69Å
234I96.1Very high94.3Very high4 Ų415.5 Ų15.52%0.0218%0.077CC..Hα-helixtrans-64-52.8173.7-60172.1000109.3V204 L230 I231 S236 S237 I238 A270 Y272 M302 C376 L378V204-I234 HydrophobicContact CG1-CD1 4.28Å; L230-I234 PolarHBondContact O-N 2.79Å; I231-I234 WeakPolarHBondContact O-CA 3.47Å; I231-I234 WeakPolarHBondContact O-CB 3.18Å; I231-I234 PolarHBondContact O-N 3.4Å; I234-S236 VanDerWaalsContact C-N 3.27Å; I234-S236 PolarHBondContact O-N 3.12Å; I234-S237 WeakPolarHBondContact O-CA 3.37Å; I234-S237 WeakPolarHBondContact O-CB 3.23Å; I234-S237 PolarHBondContact O-N 3.47Å; I234-I238 HydrophobicContact CG2-CD1 3.62Å; I234-I238 HydrophobicContact CG2-CG1 4.34Å; I234-I238 WeakPolarHBondContact O-CG1 3.36Å; I234-I238 PolarHBondContact O-N 3.27Å; I234-A270 HydrophobicContact CD1-CB 3.7Å; I234-A270 HydrophobicContact CG2-CB 3.9Å; I234-Y272 HydrophobicContact CG1-CD2 4.44Å; I234-M302 HydrophobicContact CD1-CE 3.43Å; I234-M302 VanDerWaalsContact CD1-CE 3.43Å; I234-M302 HydrophobicContact CD1-CG 4.14Å; I234-M302 HydrophobicContact CD1-SD 3.17Å; I234-M302 WeakPolarHBondContact CD1-SD 3.19Å; I234-M302 HydrophobicContact CG1-CE 3.93Å; I234-M302 HydrophobicContact CG1-SD 4.28Å; I234-C376 VanDerWaalsContact CG2-SG 3.56Å; I234-L378 HydrophobicContact CG2-CD2 4.49Å
235V96.5Very high93.9Very high0 Ų017.6 Ų17.60%09%0.094CC..Hα-helixtrans-59.6-42.2-178.3-174.30000110Y24 F138 F169 I231 S237 I238 T239Y24-V235 WeakPolarHBondContact OH-CG1 3.46Å; F138-V235 HydrophobicContact CE1-CB 4.43Å; F138-V235 HydrophobicContact CE1-CG1 3.7Å; F138-V235 HydrophobicContact CE1-CG2 3.84Å; F138-V235 HydrophobicContact CZ-CG1 3.62Å; F169-V235 HydrophobicContact CD1-CB 4.47Å; F169-V235 HydrophobicContact CD1-CG1 4.41Å; F169-V235 HydrophobicContact CD1-CG2 3.64Å; F169-V235 HydrophobicContact CE1-CB 4.13Å; F169-V235 HydrophobicContact CE1-CG1 3.94Å; F169-V235 HydrophobicContact CE1-CG2 3.78Å; F169-V235 HydrophobicContact CE2-CG1 4.21Å; F169-V235 HydrophobicContact CG-CG2 4.19Å; F169-V235 HydrophobicContact CZ-CG1 3.83Å; F169-V235 HydrophobicContact CZ-CG2 4.48Å; I231-V235 HydrophobicContact CG2-CG2 3.95Å; I231-V235 VanDerWaalsContact O-CG2 3.27Å; I231-V235 WeakPolarHBondContact O-CG2 3.46Å; I231-V235 PolarHBondContact O-N 2.92Å; V235-S237 VanDerWaalsContact C-N 3.3Å; V235-S237 PolarHBondContact O-N 3.4Å; V235-I238 PolarHBondContact O-N 2.98Å; V235-T239 HydrophobicContact CG1-CG2 4.48Å; V235-T239 WeakPolarHBondContact O-CB 3.34Å; V235-T239 VanDerWaalsContact O-CG2 3.31Å; V235-T239 WeakPolarHBondContact O-CG2 3.4Å; V235-T239 PolarHBondContact O-N 2.88Å; V235-T239 PolarHBondContact O-OG1 2.86Å
236S95.6Very high93.4Very high0 Ų014.8 Ų14.80%08%0.08CC..Hα-helixtrans-60.4-39.7173.7173.50000112.3E27 A232 I234 T239 A240 R243 R320E27-S236 PolarHBondContact OE1-OG 3.29Å; E27-S236 PolarHBondContact OE2-OG 3.23Å; E27-S236 VanDerWaalsContact OE2-OG 3.06Å; A232-S236 VanDerWaalsContact O-CB 3.24Å; A232-S236 WeakPolarHBondContact O-CB 3.02Å; A232-S236 PolarHBondContact O-N 2.75Å; I234-S236 VanDerWaalsContact C-N 3.27Å; I234-S236 PolarHBondContact O-N 3.12Å; S236-T239 PolarHBondContact O-N 3.33Å; S236-T239 PolarHBondContact O-OG1 3.17Å; S236-A240 WeakPolarHBondContact O-CA 3.27Å; S236-A240 WeakPolarHBondContact O-CB 2.96Å; S236-A240 PolarHBondContact O-N 2.87Å; S236-R243 PolarHBondContact O-NH2 3.2Å; S236-R243 VanDerWaalsContact O-NH2 3.15Å; S236-R243 PolarHBondContact OG-NH2 2.99Å; S236-R320 PolarHBondContact O-NH1 2.97Å; S236-R320 PolarHBondContact OG-NH1 2.64Å
237S95.2Very high92.7Very high4 Ų415 Ų153%0.0289%0.085CC..Hα-helixtrans-69.5-41.9179.2-58.40000112.4Q233 I234 V235 T239 A240 Y272 C376Q233-S237 WeakPolarHBondContact O-CB 3.45Å; Q233-S237 PolarHBondContact O-N 2.66Å; Q233-S237 PolarHBondContact O-OG 2.7Å; I234-S237 WeakPolarHBondContact O-CA 3.37Å; I234-S237 WeakPolarHBondContact O-CB 3.23Å; I234-S237 PolarHBondContact O-N 3.47Å; V235-S237 VanDerWaalsContact C-N 3.3Å; V235-S237 PolarHBondContact O-N 3.4Å; S237-T239 VanDerWaalsContact C-N 3.29Å; S237-T239 PolarHBondContact O-N 3.31Å; S237-A240 WeakPolarHBondContact O-CB 3.03Å; S237-A240 PolarHBondContact O-N 3.35Å; S237-Y272 WeakPolarHBondContact OG-CE2 3.43Å; S237-C376 VanDerWaalsContact CB-CB 3.41Å
238I94Very high91.8Very high0 Ų020 Ų200%011%0.111CC..Hα-helixtrans-60.7-40.1174.8-69166.8000111.2F169 F202 I234 V235 F255 L318 L378F169-I238 HydrophobicContact CE1-CD1 3.59Å; F169-I238 HydrophobicContact CE1-CG2 4.44Å; F169-I238 HydrophobicContact CZ-CD1 4.34Å; F169-I238 HydrophobicContact CZ-CG2 4.16Å; F202-I238 HydrophobicContact CD1-CD1 4.37Å; F202-I238 HydrophobicContact CD2-CD1 3.93Å; F202-I238 HydrophobicContact CE2-CD1 4.09Å; F202-I238 HydrophobicContact CE2-CG2 4.01Å; F202-I238 HydrophobicContact CG-CD1 4.06Å; F202-I238 HydrophobicContact CZ-CD1 4.4Å; F202-I238 HydrophobicContact CZ-CG2 4.29Å; I234-I238 HydrophobicContact CG2-CD1 3.62Å; I234-I238 HydrophobicContact CG2-CG1 4.34Å; I234-I238 WeakPolarHBondContact O-CG1 3.36Å; I234-I238 PolarHBondContact O-N 3.27Å; V235-I238 PolarHBondContact O-N 2.98Å; I238-F255 HydrophobicContact CG2-CD2 4.5Å; I238-F255 HydrophobicContact CG2-CE2 3.73Å; I238-F255 HydrophobicContact CG2-CZ 3.81Å; I238-L318 HydrophobicContact CB-CD1 4.39Å; I238-L318 HydrophobicContact CG1-CD1 3.95Å; I238-L378 HydrophobicContact CD1-CD1 3.95Å; I238-L378 HydrophobicContact CD1-CD2 3.76Å; I238-L378 HydrophobicContact CD1-CG 4.45Å; I238-L378 HydrophobicContact CG1-CD1 3.7Å; I238-L378 HydrophobicContact CG1-CD2 4.11Å; I238-L378 HydrophobicContact CG1-CG 4.36Å
239T93.2Very high90.9Very high0 Ų022.2 Ų22.20%012%0.122CC..THydrogen-bonded Turntrans-93.8-0.2-175.6610000114.1Y24 F52 L136 V235 S236 S237 S241 L242 R243Y24-T239 PolarHBondContact OH-OG1 3.27Å; F52-T239 HydrophobicContact CE2-CG2 4.04Å; F52-T239 HydrophobicContact CZ-CG2 3.61Å; L136-T239 HydrophobicContact CD1-CG2 3.8Å; V235-T239 HydrophobicContact CG1-CG2 4.48Å; V235-T239 WeakPolarHBondContact O-CB 3.34Å; V235-T239 VanDerWaalsContact O-CG2 3.31Å; V235-T239 WeakPolarHBondContact O-CG2 3.4Å; V235-T239 PolarHBondContact O-N 2.88Å; V235-T239 PolarHBondContact O-OG1 2.86Å; S236-T239 PolarHBondContact O-N 3.33Å; S236-T239 PolarHBondContact O-OG1 3.17Å; S237-T239 VanDerWaalsContact C-N 3.29Å; S237-T239 PolarHBondContact O-N 3.31Å; T239-S241 PolarHBondContact O-N 3.04Å; T239-L242 PolarHBondContact O-N 3.18Å; T239-R243 PolarHBondContact O-NE 2.8Å; T239-R243 PolarHBondContact OG1-NE 2.87Å
240A92.5Very high90Very high2 Ų219.8 Ų19.82%0.01711%0.113CC..G310 helixtrans-61.9-42.9-173.300000112.3S236 S237 L242 R243 F244 R320 N356S236-A240 WeakPolarHBondContact O-CA 3.27Å; S236-A240 WeakPolarHBondContact O-CB 2.96Å; S236-A240 PolarHBondContact O-N 2.87Å; S237-A240 WeakPolarHBondContact O-CB 3.03Å; S237-A240 PolarHBondContact O-N 3.35Å; A240-L242 PolarHBondContact O-N 3.21Å; A240-R243 PolarHBondContact O-N 2.88Å; A240-F244 PolarHBondContact O-N 3.21Å; A240-R320 VanDerWaalsContact CB-NH1 3.33Å; A240-N356 HydrophobicContact CB-CB 4.06Å; A240-N356 PolarHBondContact O-ND2 2.66Å
241S90Very high89.4Confident17 Ų1721.8 Ų21.812%0.11912%0.124CC..G310 helixtrans-64.9-15.8-179.6520000114.2T239 V250T239-S241 PolarHBondContact O-N 3.04Å; S241-V250 VanDerWaalsContact CB-O 3.3Å; S241-V250 WeakPolarHBondContact CB-O 3.48Å; S241-V250 PolarHBondContact OG-O 3.06Å
242L88.7Confident88.7Confident12 Ų1221.8 Ų21.86%0.06312%0.124CC..G310 helixtrans-89.1-14.7174.4-57.4-179.3000113.1T51 F52 T239 A240 L252T51-L242 HydrophobicContact CG2-CB 3.83Å; T51-L242 PolarHBondContact OG1-O 3.34Å; F52-L242 HydrophobicContact CE1-CD1 4.5Å; T239-L242 PolarHBondContact O-N 3.18Å; A240-L242 PolarHBondContact O-N 3.21Å; L242-L252 HydrophobicContact CD1-CD1 4.18Å; L242-L252 HydrophobicContact CD1-CD2 3.74Å; L242-L252 HydrophobicContact CD1-CG 3.83Å
243R89.9Confident88.2Confident2 Ų225 Ų251%0.00814%0.144CC..THydrogen-bonded Turntrans-125.1-19.2-167-64-175.1-63.3121.8-2.8114.1E27 H28 A48 T51 F52 S236 T239 A240E27-R243 IonicContact OE2-CZ 3.87Å; E27-R243 VanDerWaalsContact OE2-CZ 3.24Å; E27-R243 IonicContact OE2-NH1 3.33Å; E27-R243 PolarHBondContact OE2-NH1 3.48Å; E27-R243 IonicContact OE2-NH2 3.78Å; E27-R243 PolarHBondContact OE2-NH2 2.72Å; H28-R243 PolarHBondContact NE2-NH1 3.45Å; H28-R243 VanDerWaalsContact NE2-NH1 3.13Å; A48-R243 WeakPolarHBondContact CB-O 3.36Å; T51-R243 HydrophobicContact CG2-CG 4.28Å; F52-R243 VanDerWaalsContact CD2-CD 3.46Å; F52-R243 HydrophobicContact CD2-CG 4.37Å; F52-R243 VanDerWaalsContact CE2-CD 3.42Å; F52-R243 HydrophobicContact CE2-CG 4.27Å; F52-R243 HydrophobicContact CZ-CG 4.44Å; S236-R243 PolarHBondContact O-NH2 3.2Å; S236-R243 VanDerWaalsContact O-NH2 3.15Å; S236-R243 PolarHBondContact OG-NH2 2.99Å; T239-R243 PolarHBondContact O-NE 2.8Å; T239-R243 PolarHBondContact OG1-NE 2.87Å; A240-R243 PolarHBondContact O-N 2.88Å
244F89.2Confident87.8Confident26 Ų2626.7 Ų26.711%0.11415%0.152CC..SBendtrans-143150.8-177.4-56.6-63.6000109.8E27 H28 A240 N356 Q358E27-F244 HydrophobicContact CB-CE2 4.33Å; E27-F244 HydrophobicContact CB-CZ 3.91Å; H28-F244 AromaticContact CE1-CE1 3.54Å; H28-F244 AromaticContact CE1-CZ 3.42Å; H28-F244 VanDerWaalsContact CE1-CZ 3.42Å; H28-F244 WeakPolarHBondContact CE1-CZ 3.36Å; H28-F244 AromaticContact ND1-CE1 3.79Å; H28-F244 AromaticContact ND1-CZ 3.87Å; H28-F244 AromaticContact NE2-CZ 3.76Å; A240-F244 PolarHBondContact O-N 3.21Å; F244-N356 WeakPolarHBondContact CB-ND2 3.36Å; F244-N356 WeakPolarHBondContact CB-OD1 3.48Å; F244-N356 PolarHBondContact O-ND2 2.72Å; F244-N356 VanDerWaalsContact O-ND2 3.1Å; F244-Q358 HydrophobicContact CB-CB 4.4Å; F244-Q358 HydrophobicContact CD2-CB 4.27Å; F244-Q358 HydrophobicContact CD2-CG 4.42Å; F244-Q358 HydrophobicContact CE2-CG 4.48Å; F244-Q358 HydrophobicContact CG-CB 4.22Å
245D85.1Confident87.5Confident127 Ų12726.5 Ų26.568%0.67915%0.151SC*.  trans-67.4152.1176-67.5-36.7000112.3N356 Y357D245-N356 PolarHBondContact O-ND2 2.84Å; D245-Y357 PolarHBondContact O-N 3.27Å
246G84.4Confident87.1Confident19 Ų1929.7 Ų29.720%0.19617%0.165CC..EExtended strand (participates in β ladder)trans-169.3173.8-175.300000111.7N249 I355G246-N249 WeakPolarHBondContact CA-OD1 3.32Å; G246-I355 CarbonylContact C-O 3.59Å; G246-I355 WeakPolarHBondContact CA-O 3.3Å
247A79.4Confident86.8Confident24 Ų2434.2 Ų34.220%0.19819%0.193CC..EExtended strand (participates in β ladder)trans-97.5143.6165.300000109N249 I355 Y357A247-N249 VanDerWaalsContact C-N 3.31Å; A247-N249 PolarHBondContact O-N 3.43Å; A247-I355 HydrophobicContact CB-CB 4.42Å; A247-I355 PolarHBondContact N-O 3.15Å; A247-I355 PolarHBondContact O-N 3.44Å; A247-Y357 HydrophobicContact CB-CE1 4.43Å
248L78.4Confident86.6Confident105 Ų10536.8 Ų36.855%0.5521%0.207SC..SBendtrans59.141.7178.7-49170.2000112.4V250 V353 G354L248-V250 PolarHBondContact O-N 3.48Å; L248-V353 VanDerWaalsContact CB-O 3.25Å; L248-V353 WeakPolarHBondContact CB-O 3.48Å; L248-V353 HydrophobicContact CD1-CB 4.17Å; L248-V353 HydrophobicContact CD1-CG1 3.98Å; L248-G354 WeakPolarHBondContact O-CA 3.49Å
249N76.2Confident86.5Confident55 Ų5536.9 Ų36.929%0.29421%0.207SC..PPolyproline II helixtrans-55.5126.2178.3-76.5-20.6000110.8G246 A247G246-N249 WeakPolarHBondContact CA-OD1 3.32Å; A247-N249 VanDerWaalsContact C-N 3.31Å; A247-N249 PolarHBondContact O-N 3.43Å
250V78.1Confident86.5Confident2 Ų237.9 Ų37.91%0.01221%0.213CC..PPolyproline II helixtrans-93.3126177.7-175.80000108.2S241 L248 E254 F255 L318 K352S241-V250 VanDerWaalsContact CB-O 3.3Å; S241-V250 WeakPolarHBondContact CB-O 3.48Å; S241-V250 PolarHBondContact OG-O 3.06Å; L248-V250 PolarHBondContact O-N 3.48Å; V250-E254 HydrophobicContact CG1-CB 3.65Å; V250-F255 HydrophobicContact CB-CZ 4.46Å; V250-F255 HydrophobicContact CG1-CD1 4.21Å; V250-F255 HydrophobicContact CG1-CE1 3.9Å; V250-F255 HydrophobicContact CG1-CE2 4.31Å; V250-F255 HydrophobicContact CG1-CZ 3.95Å; V250-L318 HydrophobicContact CG2-CD2 4.11Å; V250-K352 HydrophobicContact CG2-CG 4.42Å
251D82.4Confident86.4Confident44 Ų4440 Ų4024%0.23523%0.227CC..PPolyproline II helixtrans-83.8172.8170.675.230.5000112.8T253 E254D251-T253 VanDerWaalsContact C-N 3.32Å; D251-T253 PolarHBondContact O-N 3.22Å; D251-T253 WeakPolarHBondContact OD1-CA 2.99Å; D251-T253 PolarHBondContact OD1-N 2.75Å; D251-E254 PolarHBondContact N-OE1 3.15Å; D251-E254 WeakPolarHBondContact O-CB 3.36Å; D251-E254 PolarHBondContact O-N 2.82Å; D251-E254 WeakPolarHBondContact OD1-CB 3.36Å; D251-E254 WeakPolarHBondContact OD1-CG 3.07Å; D251-E254 PolarHBondContact OD1-N 3.49Å
252L84.3Confident86.5Confident4 Ų445.4 Ų45.42%0.02125%0.246CC..Hα-helixtrans-65.1-36-178.6-66.1-179.9000112.9C4 Q133 L136 L167 L242 E254 F255C4-L252 VanDerWaalsContact SG-CD1 3.55Å; Q133-L252 HydrophobicContact CB-CD1 4Å; L136-L252 HydrophobicContact CD2-CD2 4.24Å; L167-L252 HydrophobicContact CD1-CB 4.32Å; L167-L252 HydrophobicContact CD1-CD2 3.45Å; L167-L252 VanDerWaalsContact CD1-CD2 3.45Å; L167-L252 HydrophobicContact CD1-CG 4.39Å; L167-L252 HydrophobicContact CG-CD2 4.47Å; L242-L252 HydrophobicContact CD1-CD1 4.18Å; L242-L252 HydrophobicContact CD1-CD2 3.74Å; L242-L252 HydrophobicContact CD1-CG 3.83Å; L252-E254 VanDerWaalsContact C-N 3.3Å; L252-F255 HydrophobicContact CD2-CE2 4.5Å; L252-F255 PolarHBondContact O-N 2.84Å
253T86Confident86.6Confident69 Ų6950.1 Ų50.142%0.42328%0.277SS..Hα-helixtrans-72.5-27.8-179.8-52.10000111.2D251 F255 Q256 T257D251-T253 VanDerWaalsContact C-N 3.32Å; D251-T253 PolarHBondContact O-N 3.22Å; D251-T253 WeakPolarHBondContact OD1-CA 2.99Å; D251-T253 PolarHBondContact OD1-N 2.75Å; T253-F255 VanDerWaalsContact C-N 3.26Å; T253-F255 PolarHBondContact O-N 2.74Å; T253-Q256 WeakPolarHBondContact O-CB 3.27Å; T253-Q256 PolarHBondContact O-N 2.86Å; T253-T257 PolarHBondContact O-N 3.29Å; T253-T257 PolarHBondContact O-OG1 3.4Å
254E88.3Confident86.8Confident44 Ų4453.3 Ų53.321%0.20629%0.289CS..Hα-helixtrans-65.5-26.4173.5-81-175.2-11200112.6V250 D251 L252 T257 N258 K352V250-E254 HydrophobicContact CG1-CB 3.65Å; D251-E254 PolarHBondContact N-OE1 3.15Å; D251-E254 WeakPolarHBondContact O-CB 3.36Å; D251-E254 PolarHBondContact O-N 2.82Å; D251-E254 WeakPolarHBondContact OD1-CB 3.36Å; D251-E254 WeakPolarHBondContact OD1-CG 3.07Å; D251-E254 PolarHBondContact OD1-N 3.49Å; L252-E254 VanDerWaalsContact C-N 3.3Å; E254-T257 WeakPolarHBondContact CA-OG1 3.01Å; E254-N258 WeakPolarHBondContact O-CB 3.47Å; E254-N258 VanDerWaalsContact O-CG 3.28Å; E254-N258 PolarHBondContact O-N 3.36Å; E254-N258 PolarHBondContact O-ND2 2.8Å; E254-K352 WeakPolarHBondContact OE2-CE 3.45Å; E254-K352 IonicContact OE2-NZ 3.24Å; E254-K352 PolarHBondContact OE2-NZ 3.37Å
255F89.7Confident87.1Confident1 Ų152.2 Ų52.20%0.00428%0.284CS..Hα-helixtrans-64.3-45.8171.5-69.6-60.7000111L167 F202 I238 V250 L252 T253 L259 L318 L378L167-F255 HydrophobicContact CD1-CD2 3.99Å; F202-F255 HydrophobicContact CZ-CB 4.3Å; F202-F255 HydrophobicContact CZ-CD1 4.33Å; F202-F255 HydrophobicContact CZ-CD2 4.39Å; F202-F255 HydrophobicContact CZ-CG 4.09Å; I238-F255 HydrophobicContact CG2-CD2 4.5Å; I238-F255 HydrophobicContact CG2-CE2 3.73Å; I238-F255 HydrophobicContact CG2-CZ 3.81Å; V250-F255 HydrophobicContact CB-CZ 4.46Å; V250-F255 HydrophobicContact CG1-CD1 4.21Å; V250-F255 HydrophobicContact CG1-CE1 3.9Å; V250-F255 HydrophobicContact CG1-CE2 4.31Å; V250-F255 HydrophobicContact CG1-CZ 3.95Å; L252-F255 HydrophobicContact CD2-CE2 4.5Å; L252-F255 PolarHBondContact O-N 2.84Å; T253-F255 VanDerWaalsContact C-N 3.26Å; T253-F255 PolarHBondContact O-N 2.74Å; F255-L259 HydrophobicContact CB-CD1 4.38Å; F255-L259 HydrophobicContact CD1-CD1 3.89Å; F255-L259 WeakPolarHBondContact O-CB 3.19Å; F255-L259 PolarHBondContact O-N 2.66Å; F255-L318 HydrophobicContact CE1-CD1 4.07Å; F255-L318 HydrophobicContact CE1-CD2 4.39Å; F255-L318 HydrophobicContact CZ-CD1 4.08Å; F255-L378 HydrophobicContact CD1-CD1 3.93Å; F255-L378 HydrophobicContact CE1-CD1 3.65Å; F255-L378 HydrophobicContact CZ-CD1 4.44Å
256Q89Confident87.6Confident66 Ų6646.2 Ų46.231%0.30825%0.252SS..Hα-helixtrans-59.6-54.6175.1-175.3179.229.700110.7D199 T253 N258 V260D199-Q256 HydrophobicContact CB-CG 4.49Å; D199-Q256 PolarHBondContact OD1-NE2 2.77Å; T253-Q256 WeakPolarHBondContact O-CB 3.27Å; T253-Q256 PolarHBondContact O-N 2.86Å; Q256-N258 VanDerWaalsContact C-N 3.32Å; Q256-N258 PolarHBondContact O-N 3.28Å; Q256-V260 WeakPolarHBondContact O-CA 3.14Å; Q256-V260 WeakPolarHBondContact O-CB 3.25Å; Q256-V260 PolarHBondContact O-N 2.89Å
257T89.5Confident88.2Confident95 Ų9545.3 Ų45.358%0.58324%0.243SC*.Hα-helixtrans-68.4-27.1-174.159.20000114.5T253 E254T253-T257 PolarHBondContact O-N 3.29Å; T253-T257 PolarHBondContact O-OG1 3.4Å; E254-T257 WeakPolarHBondContact CA-OG1 3.01Å
258N89.9Confident89Confident59 Ų5944.1 Ų44.132%0.31623%0.233SC..Hα-helixtrans-98.2-26.4-178.2-62.8-62.9000114E254 Q256 A314 K352E254-N258 WeakPolarHBondContact O-CB 3.47Å; E254-N258 VanDerWaalsContact O-CG 3.28Å; E254-N258 PolarHBondContact O-N 3.36Å; E254-N258 PolarHBondContact O-ND2 2.8Å; Q256-N258 VanDerWaalsContact C-N 3.32Å; Q256-N258 PolarHBondContact O-N 3.28Å; N258-A314 WeakPolarHBondContact O-CB 3.25Å; N258-K352 HydrophobicContact CB-CB 4.31Å; N258-K352 HydrophobicContact CB-CG 4.39Å
259L92.3Very high89.8Confident1 Ų139.1 Ų39.11%0.00521%0.207CC..Hα-helixtrans-103.2-21.9-177.9-64.8170.1000113.4F202 F255 P261 P268 A314 C316 L378 N380F202-L259 HydrophobicContact CE1-CD1 4.2Å; F255-L259 HydrophobicContact CB-CD1 4.38Å; F255-L259 HydrophobicContact CD1-CD1 3.89Å; F255-L259 WeakPolarHBondContact O-CB 3.19Å; F255-L259 PolarHBondContact O-N 2.66Å; L259-P261 VanDerWaalsContact O-CD 3.32Å; L259-P261 WeakPolarHBondContact O-CD 3.37Å; L259-P268 HydrophobicContact CB-CG 3.99Å; L259-P268 HydrophobicContact CD1-CB 4.37Å; L259-P268 HydrophobicContact CD1-CG 4Å; L259-A314 HydrophobicContact CD2-CB 4.09Å; L259-C316 HydrophobicContact CD1-CB 4.26Å; L259-C316 HydrophobicContact CD2-CB 3.81Å; L259-C316 HydrophobicContact CG-CB 4.27Å; L259-L378 HydrophobicContact CD1-CB 3.81Å; L259-L378 HydrophobicContact CD1-CD1 4.14Å; L259-L378 HydrophobicContact CD2-CB 4.46Å; L259-L378 WeakPolarHBondContact CD2-O 3.33Å; L259-N380 VanDerWaalsContact O-CB 3.25Å; L259-N380 WeakPolarHBondContact O-CB 3.4Å; L259-N380 PolarHBondContact O-ND2 3.27Å
260V93.2Very high90.7Very high21 Ų2136.5 Ų36.513%0.12719%0.193CC..  trans-110.799.2-170.2-175.80000109.8Q256 Y262 H266Q256-V260 WeakPolarHBondContact O-CA 3.14Å; Q256-V260 WeakPolarHBondContact O-CB 3.25Å; Q256-V260 PolarHBondContact O-N 2.89Å; V260-Y262 WeakPolarHBondContact CG1-O 3.31Å; V260-H266 HydrophobicContact CB-CB 4.44Å; V260-H266 HydrophobicContact CG1-CB 3.75Å; V260-H266 HydrophobicContact CG2-CB 3.8Å
261P91.3Very high91.6Very high47 Ų4736.4 Ų36.431%0.30519%0.193SC..SBendtrans-71.8-35.3179.527.7-33.4000112.5L259 I265 M313 W346L259-P261 VanDerWaalsContact O-CD 3.32Å; L259-P261 WeakPolarHBondContact O-CD 3.37Å; P261-I265 HydrophobicContact CG-CB 4.44Å; P261-I265 HydrophobicContact CG-CG2 4.13Å; P261-M313 HydrophobicContact CG-SD 4.03Å; P261-W346 HydrophobicContact CB-CH2 3.82Å; P261-W346 HydrophobicContact CB-CZ3 4.27Å; P261-W346 HydrophobicContact CG-CH2 4.22Å
262Y91.7Very high92.3Very high130 Ų13034.5 Ų34.551%0.5118%0.182SC..SBendtrans-133.3144.3176.9-61.2-82.3000109.2V260 R264 I265 V435V260-Y262 WeakPolarHBondContact CG1-O 3.31Å; Y262-R264 PolarHBondContact O-N 2.8Å; Y262-I265 HydrophobicContact CD2-CD1 3.99Å; Y262-I265 PolarHBondContact O-N 2.8Å; Y262-V435 HydrophobicContact CD2-CG2 3.87Å; Y262-V435 HydrophobicContact CE2-CG1 4.5Å; Y262-V435 HydrophobicContact CE2-CG2 3.55Å
263P91.6Very high92.9Very high111 Ų11134.3 Ų34.372%0.72118%0.181SC*.THydrogen-bonded Turntrans-51.8-35.4-176.4-30.135.9000114.8H266P263-H266 PolarHBondContact O-ND1 3.06Å
264R94Very high93.3Very high70 Ų7031.8 Ų31.826%0.26417%0.166SC..THydrogen-bonded Turntrans-74.9-23.9177.8-67.6176.665.899.1-1.3113.7L195 Y262 H266 D424 L428 D431L195-R264 HydrophobicContact CD2-CG 4.04Å; L195-R264 VanDerWaalsContact CD2-NH1 3.28Å; L195-R264 HydrophobicContact CG-CG 4.37Å; Y262-R264 PolarHBondContact O-N 2.8Å; R264-H266 PolarHBondContact O-N 2.92Å; R264-D424 IonicContact CZ-OD1 3.89Å; R264-D424 IonicContact NH1-OD1 3.57Å; R264-D424 PolarHBondContact NH1-OD1 3.17Å; R264-D424 PolarHBondContact NH2-O 3.32Å; R264-D424 IonicContact NH2-OD1 2.77Å; R264-D424 PolarHBondContact NH2-OD1 3.43Å; R264-L428 HydrophobicContact CB-CD1 4.19Å; R264-L428 WeakPolarHBondContact O-CD1 3.09Å; R264-D431 WeakPolarHBondContact CD-OD2 3.29Å; R264-D431 IonicContact NE-OD2 2.8Å; R264-D431 PolarHBondContact NE-OD2 3.07Å
265I95Very high93.6Very high2 Ų230.2 Ų30.21%0.0116%0.159CC..  trans-96.663.4-176.2-58.9179.9000109.6P261 Y262 M313 N380 D431 Y432 V435P261-I265 HydrophobicContact CG-CB 4.44Å; P261-I265 HydrophobicContact CG-CG2 4.13Å; Y262-I265 HydrophobicContact CD2-CD1 3.99Å; Y262-I265 PolarHBondContact O-N 2.8Å; I265-M313 HydrophobicContact CG2-CE 3.73Å; I265-M313 HydrophobicContact CG2-SD 3.98Å; I265-N380 PolarHBondContact O-ND2 2.75Å; I265-D431 HydrophobicContact CD1-CB 4.09Å; I265-D431 HydrophobicContact CG1-CB 4.24Å; I265-Y432 HydrophobicContact CB-CE1 4.29Å; I265-Y432 HydrophobicContact CG1-CE1 4.45Å; I265-Y432 HydrophobicContact CG2-CD1 3.93Å; I265-Y432 HydrophobicContact CG2-CE1 3.26Å; I265-V435 HydrophobicContact CD1-CB 4.16Å; I265-V435 HydrophobicContact CD1-CG2 3.59Å
266H95.9Very high93.8Very high1 Ų130.4 Ų30.41%0.00516%0.159CC..  trans-116.628.6-173.165.2-102.3000114.5L195 A201 V260 P263 R264 P268L195-H266 PolarHBondContact O-CE1 3.19Å; A201-H266 PolarHBondContact N-O 3.15Å; V260-H266 HydrophobicContact CB-CB 4.44Å; V260-H266 HydrophobicContact CG1-CB 3.75Å; V260-H266 HydrophobicContact CG2-CB 3.8Å; P263-H266 PolarHBondContact O-ND1 3.06Å; R264-H266 PolarHBondContact O-N 2.92Å; H266-P268 WeakPolarHBondContact O-CD 3.46Å
267F96.8Very high93.8Very high0 Ų027.8 Ų27.80%015%0.149CC..  trans-11065.1-176.2-57.9-86.9000114.2F141 T191 L195 A201 M203 I384 W388 L428F141-F267 HydrophobicContact CZ-CE1 4.29Å; T191-F267 HydrophobicContact CG2-CZ 4.13Å; L195-F267 HydrophobicContact CD1-CE2 3.86Å; L195-F267 HydrophobicContact CD1-CZ 3.93Å; A201-F267 HydrophobicContact CB-CD1 3.74Å; A201-F267 HydrophobicContact CB-CE1 4Å; A201-F267 CarbonylContact O-C 3.22Å; A201-F267 WeakPolarHBondContact O-CA 3.3Å; M203-F267 HydrophobicContact CE-CD1 4.07Å; M203-F267 HydrophobicContact CG-CB 4.01Å; M203-F267 HydrophobicContact CG-CD1 4.3Å; M203-F267 HydrophobicContact SD-CD1 3.83Å; F267-I384 HydrophobicContact CB-CG1 4.48Å; F267-W388 HydrophobicContact CB-CZ2 4.21Å; F267-W388 HydrophobicContact CD1-CH2 4.02Å; F267-W388 AromaticContact CD1-CZ2 3.85Å; F267-W388 HydrophobicContact CD1-CZ2 3.85Å; F267-W388 AromaticContact CD2-CZ2 3.92Å; F267-W388 HydrophobicContact CD2-CZ2 3.92Å; F267-W388 HydrophobicContact CE1-CH2 4.01Å; F267-W388 HydrophobicContact CE1-CZ2 4.16Å; F267-W388 HydrophobicContact CE2-CZ2 4.22Å; F267-W388 HydrophobicContact CG-CH2 4.36Å; F267-W388 AromaticContact CG-CZ2 3.72Å; F267-W388 HydrophobicContact CG-CZ2 3.72Å; F267-W388 HydrophobicContact CZ-CH2 4.32Å; F267-W388 HydrophobicContact CZ-CZ2 4.34Å; F267-L428 HydrophobicContact CD2-CD2 4.36Å; F267-L428 HydrophobicContact CE2-CD1 4.45Å; F267-L428 HydrophobicContact CE2-CD2 3.78Å; F267-L428 HydrophobicContact CZ-CD2 4.45Å
268P96Very high93.6Very high0 Ų026 Ų260%014%0.143CC..PPolyproline II helixtrans-61142.2176.1-23.333.5000113.8A201 F202 M203 L259 H266 L378 S379 N380A201-P268 WeakPolarHBondContact O-CD 3.48Å; F202-P268 HydrophobicContact CD1-CB 4.29Å; M203-P268 PolarHBondContact N-O 3.24Å; L259-P268 HydrophobicContact CB-CG 3.99Å; L259-P268 HydrophobicContact CD1-CB 4.37Å; L259-P268 HydrophobicContact CD1-CG 4Å; H266-P268 WeakPolarHBondContact O-CD 3.46Å; P268-L378 HydrophobicContact CB-CB 4.45Å; P268-S379 WeakPolarHBondContact CA-O 3.47Å; P268-N380 HydrophobicContact CG-CB 4.5Å
269L95.2Very high93.3Very high0 Ų031 Ų310%017%0.165CC..EExtended strand (participates in β ladder)trans-82.5140.9170.7-51.9-175.2000110.7M203 V303 C305 L378 S379 T381 I384M203-L269 HydrophobicContact CB-CD2 4.46Å; L269-V303 HydrophobicContact CD2-CB 3.89Å; L269-V303 HydrophobicContact CD2-CG1 4.12Å; L269-V303 HydrophobicContact CD2-CG2 3.89Å; L269-C305 WeakPolarHBondContact CD1-SG 3.39Å; L269-L378 CarbonylContact O-C 3.37Å; L269-L378 WeakPolarHBondContact O-CA 3.37Å; L269-S379 PolarHBondContact N-O 3.36Å; L269-S379 PolarHBondContact O-N 3.01Å; L269-T381 HydrophobicContact CD1-CG2 3.33Å; L269-T381 HydrophobicContact CG-CG2 3.86Å; L269-I384 HydrophobicContact CD2-CB 4.48Å; L269-I384 HydrophobicContact CD2-CD1 3.43Å; L269-I384 VanDerWaalsContact CD2-CD1 3.43Å; L269-I384 HydrophobicContact CD2-CG1 4.44Å
270A95.6Very high93Very high0 Ų034.7 Ų34.70%018%0.181CC..EExtended strand (participates in β ladder)trans-96.2141.4172.700000112.2V204 I234 M302 M377 L378V204-A270 HydrophobicContact CG1-CB 4.19Å; I234-A270 HydrophobicContact CD1-CB 3.7Å; I234-A270 HydrophobicContact CG2-CB 3.9Å; A270-M302 WeakPolarHBondContact O-CB 3.48Å; A270-M302 PolarHBondContact O-N 3.08Å; A270-M377 CarbonylContact C-O 3.47Å; A270-L378 HydrophobicContact CB-CD2 4.19Å
271T96.7Very high92.6Very high0 Ų034.9 Ų34.90%019%0.185CC..EExtended strand (participates in β ladder)trans-139.7147.9169.8-61.40000109.7C295 N300 Q301 C376 M377T271-C295 HydrophobicContact CG2-CB 4.03Å; T271-C295 WeakPolarHBondContact CG2-O 3.08Å; T271-N300 HydrophobicContact CG2-CB 3.87Å; T271-N300 WeakPolarHBondContact CG2-O 3.47Å; T271-Q301 PolarHBondContact OG1-NE2 3.35Å; T271-Q301 PolarHBondContact OG1-OE1 3.35Å; T271-C376 CarbonylContact O-C 3.46Å; T271-C376 WeakPolarHBondContact O-CA 3.26Å; T271-M377 PolarHBondContact N-O 2.78Å; T271-M377 PolarHBondContact O-N 2.86Å
272Y96.7Very high92Very high4 Ų441.2 Ų41.22%0.01621%0.207CC..EExtended strand (participates in β ladder)trans-133.7139.4178.8-165.7-94.8000111.4Q233 I234 S237 I275 P360 A374 C376Q233-Y272 HydrophobicContact CB-CD2 4.4Å; Q233-Y272 HydrophobicContact CB-CE1 4.26Å; Q233-Y272 HydrophobicContact CB-CE2 3.94Å; I234-Y272 HydrophobicContact CG1-CD2 4.44Å; S237-Y272 WeakPolarHBondContact OG-CE2 3.43Å; Y272-I275 HydrophobicContact CD1-CG1 3.94Å; Y272-I275 WeakPolarHBondContact O-CD1 3.33Å; Y272-I275 WeakPolarHBondContact O-CG1 3.3Å; Y272-P360 WeakPolarHBondContact OH-CB 3.4Å; Y272-P360 WeakPolarHBondContact OH-CG 3.36Å; Y272-A374 HydrophobicContact CE1-CB 4.07Å; Y272-A374 HydrophobicContact CE2-CB 4.34Å; Y272-A374 WeakPolarHBondContact OH-CB 3.47Å; Y272-C376 HydrophobicContact CD2-CB 3.93Å; Y272-C376 HydrophobicContact CE2-CB 4.33Å
273A96.5Very high91.5Very high0 Ų042.9 Ų42.90%022%0.22CC..EExtended strand (participates in β ladder)trans-147.9142.4174.800000111.9I291 A374 V375A273-I291 HydrophobicContact CB-CB 4.33Å; A273-I291 WeakPolarHBondContact CB-O 3.44Å; A273-A374 CarbonylContact O-C 3.51Å; A273-A374 VanDerWaalsContact O-CA 3.24Å; A273-A374 WeakPolarHBondContact O-CA 3.31Å; A273-A374 WeakPolarHBondContact O-CB 3.39Å; A273-V375 HydrophobicContact CB-CG1 4.2Å; A273-V375 PolarHBondContact N-O 3.37Å; A273-V375 PolarHBondContact O-N 2.86Å
274P95.3Very high91.1Very high15 Ų1542.6 Ų42.610%0.09721%0.209CC..  cis-79.1150.1-5.134.5-34.6000111.5I276 L286 I291 V371P274-I276 HydrophobicContact CB-CG2 4.24Å; P274-I276 HydrophobicContact CG-CG2 4.35Å; P274-L286 HydrophobicContact CB-CD2 3.73Å; P274-L286 HydrophobicContact CG-CD1 4.01Å; P274-L286 HydrophobicContact CG-CD2 3.86Å; P274-L286 HydrophobicContact CG-CG 4.48Å; P274-I291 HydrophobicContact CG-CG2 4.43Å; P274-V371 HydrophobicContact CG-CG1 4.04Å
275I94.1Very high90.4Very high12 Ų1246.8 Ų46.86%0.06223%0.231CC..  trans-109.399.9164.4-61173.9000105.7I212 N216 L217 L230 Y272 M302 L368I212-I275 HydrophobicContact CD1-CD1 4.48Å; I212-I275 HydrophobicContact CG2-CB 4.32Å; I212-I275 HydrophobicContact CG2-CD1 3.47Å; I212-I275 VanDerWaalsContact CG2-CD1 3.47Å; I212-I275 HydrophobicContact CG2-CG1 4.46Å; I212-I275 HydrophobicContact CG2-CG2 3.73Å; N216-I275 HydrophobicContact CB-CB 4.48Å; N216-I275 HydrophobicContact CB-CG2 4.13Å; N216-I275 WeakPolarHBondContact CB-O 3.35Å; L217-I275 HydrophobicContact CD1-CG2 4.3Å; L217-I275 HydrophobicContact CD2-CG2 3.72Å; L217-I275 HydrophobicContact CG-CG2 3.95Å; L230-I275 HydrophobicContact CD2-CD1 4.31Å; L230-I275 HydrophobicContact CD2-CG1 4.31Å; L230-I275 HydrophobicContact CD2-CG2 3.91Å; Y272-I275 HydrophobicContact CD1-CG1 3.94Å; Y272-I275 WeakPolarHBondContact O-CD1 3.33Å; Y272-I275 WeakPolarHBondContact O-CG1 3.3Å; I275-M302 HydrophobicContact CD1-CE 3.97Å; I275-L368 HydrophobicContact CG2-CD2 4.2Å
276I92.6Very high90.2Very high4 Ų448.3 Ų48.32%0.02124%0.239CC..  trans-139.3140.7-170.4-169.2164.8000110.9P274 K280 A281 E284 A369 V371P274-I276 HydrophobicContact CB-CG2 4.24Å; P274-I276 HydrophobicContact CG-CG2 4.35Å; I276-K280 HydrophobicContact CD1-CB 3.93Å; I276-K280 HydrophobicContact CG1-CB 3.65Å; I276-A281 HydrophobicContact CD1-CB 4.37Å; I276-A281 HydrophobicContact CG1-CB 4.48Å; I276-A281 HydrophobicContact CG2-CB 4.41Å; I276-E284 HydrophobicContact CD1-CB 4.01Å; I276-E284 VanDerWaalsContact CD1-CD 3.45Å; I276-E284 HydrophobicContact CD1-CG 3.97Å; I276-E284 WeakPolarHBondContact CD1-OE2 3.45Å; I276-A369 HydrophobicContact CG2-CB 3.98Å; I276-A369 PolarHBondContact O-N 2.82Å; I276-V371 HydrophobicContact CG2-CG1 4.09Å
277S90.8Very high90.2Very high12 Ų1250.1 Ų50.18%0.08425%0.252CS..BIsolated β-bridgetrans-75.7155.9175.968.60000111.5E279 K280 A281 D367S277-E279 PolarHBondContact O-N 2.84Å; S277-E279 VanDerWaalsContact O-N 3.16Å; S277-K280 PolarHBondContact O-N 3Å; S277-K280 VanDerWaalsContact O-N 3.15Å; S277-K280 WeakPolarHBondContact OG-CG 3.23Å; S277-K280 PolarHBondContact OG-N 2.88Å; S277-A281 PolarHBondContact O-N 3.18Å; S277-A281 VanDerWaalsContact O-N 3.13Å; S277-D367 WeakPolarHBondContact CA-O 3.29Å
278A85.5Confident90.2Very high56 Ų5650.5 Ų50.546%0.46326%0.255SS..THydrogen-bonded Turntrans-55.1-33177.600000113.3F282A278-F282 WeakPolarHBondContact O-CE2 3.23Å
279E83.4Confident90.2Very high164 Ų16452.2 Ų52.277%0.76627%0.268SS*.THydrogen-bonded Turntrans-71.6-40.1179.2-61.8179.5172.600112.7S277S277-E279 PolarHBondContact O-N 2.84Å; S277-E279 VanDerWaalsContact O-N 3.16Å
280K85.4Confident90.3Very high80 Ų8055.8 Ų55.835%0.34829%0.285SS..THydrogen-bonded Turntrans-79.4-25.8-177.1-69.6178.6-176173.20113K215 N216 I276 S277 F282 H283K215-K280 PolarHBondContact O-NZ 3.47Å; N216-K280 PolarHBondContact O-NZ 3.25Å; I276-K280 HydrophobicContact CD1-CB 3.93Å; I276-K280 HydrophobicContact CG1-CB 3.65Å; S277-K280 PolarHBondContact O-N 3Å; S277-K280 VanDerWaalsContact O-N 3.15Å; S277-K280 WeakPolarHBondContact OG-CG 3.23Å; S277-K280 PolarHBondContact OG-N 2.88Å; K280-F282 PolarHBondContact O-N 3.49Å; K280-H283 PolarHBondContact O-N 3.23Å
281A83.8Confident90.3Very high25 Ų2555.9 Ų55.921%0.20729%0.286CS..THydrogen-bonded Turntrans-58.2-25.3-173.500000115.2I276 S277 H283 A369I276-A281 HydrophobicContact CD1-CB 4.37Å; I276-A281 HydrophobicContact CG1-CB 4.48Å; I276-A281 HydrophobicContact CG2-CB 4.41Å; S277-A281 PolarHBondContact O-N 3.18Å; S277-A281 VanDerWaalsContact O-N 3.13Å; A281-H283 VanDerWaalsContact C-N 3.27Å; A281-H283 PolarHBondContact O-N 3.32Å; A281-A369 HydrophobicContact CB-CB 3.43Å; A281-A369 VanDerWaalsContact CB-CB 3.43Å
282F80.2Confident90.3Very high179 Ų17955.9 Ų55.979%0.78529%0.286SS*.THydrogen-bonded Turntrans-75.9-12.8177.4-62.6-76.5000114.1A278 K280A278-F282 WeakPolarHBondContact O-CE2 3.23Å; K280-F282 PolarHBondContact O-N 3.49Å
283H81.3Confident90.3Very high165 Ų16557.5 Ų57.576%0.76430%0.295SS*.SBendtrans-109.4-4.8-172.4-64.1-58.5000114.1K280 A281K280-H283 PolarHBondContact O-N 3.23Å; A281-H283 VanDerWaalsContact C-N 3.27Å; A281-H283 PolarHBondContact O-N 3.32Å
284E81.9Confident90.2Very high106 Ų10659.1 Ų59.150%0.49531%0.306SS..  trans-114.9140.2-175.6-66.4-170.3-162.800112I276 L286I276-E284 HydrophobicContact CD1-CB 4.01Å; I276-E284 VanDerWaalsContact CD1-CD 3.45Å; I276-E284 HydrophobicContact CD1-CG 3.97Å; I276-E284 WeakPolarHBondContact CD1-OE2 3.45Å; E284-L286 HydrophobicContact CB-CD2 4.49Å
285Q79.9Confident90.3Very high157 Ų15758.4 Ų58.473%0.73430%0.301SS*.  trans-83.2135164.5-68.5-171.4-1.600108.5E290Q285-E290 VanDerWaalsContact C-OE2 3.27Å
286L90.3Very high90.3Very high34 Ų3458.7 Ų58.718%0.17830%0.302CS..  trans-119.356.5-177-60.6175.2000109P274 E284 I291 V371 R373P274-L286 HydrophobicContact CB-CD2 3.73Å; P274-L286 HydrophobicContact CG-CD1 4.01Å; P274-L286 HydrophobicContact CG-CD2 3.86Å; P274-L286 HydrophobicContact CG-CG 4.48Å; E284-L286 HydrophobicContact CB-CD2 4.49Å; L286-I291 HydrophobicContact CB-CG2 4.38Å; L286-V371 HydrophobicContact CD1-CB 4.38Å; L286-V371 HydrophobicContact CD1-CG1 3.87Å; L286-R373 VanDerWaalsContact O-CD 3.23Å; L286-R373 WeakPolarHBondContact O-CD 3.38Å; L286-R373 PolarHBondContact O-NH1 2.74Å
287S95.6Very high90.3Very high40 Ų4063.2 Ų63.228%0.2832%0.323SS..  trans-67.4158.3174.969.10000111.1A289 E290 I291S287-A289 PolarHBondContact O-N 2.76Å; S287-E290 WeakPolarHBondContact CB-OE2 3.41Å; S287-E290 PolarHBondContact N-OE2 3.18Å; S287-E290 PolarHBondContact O-N 2.99Å; S287-E290 VanDerWaalsContact O-N 3.16Å; S287-E290 WeakPolarHBondContact OG-CB 3.47Å; S287-E290 VanDerWaalsContact OG-CG 3.26Å; S287-E290 WeakPolarHBondContact OG-CG 3.43Å; S287-E290 PolarHBondContact OG-N 3.17Å; S287-E290 PolarHBondContact OG-OE2 3.35Å; S287-I291 WeakPolarHBondContact O-CG1 3.48Å; S287-I291 PolarHBondContact O-N 2.93Å
288V97.2Very high90.3Very high8 Ų865.6 Ų65.65%0.04834%0.337CS..Hα-helixtrans-55.1-43.8174.7178.70000110.2E290 I291 T292 Y319 V323 D327 V328 A331V288-E290 PolarHBondContact O-N 2.84Å; V288-I291 VanDerWaalsContact O-CG1 3.29Å; V288-I291 WeakPolarHBondContact O-CG1 3.38Å; V288-T292 WeakPolarHBondContact O-CB 3.25Å; V288-T292 PolarHBondContact O-N 2.95Å; V288-T292 PolarHBondContact O-OG1 2.82Å; V288-Y319 HydrophobicContact CG1-CE1 3.83Å; V288-V323 HydrophobicContact CG1-CG1 4.34Å; V288-V323 HydrophobicContact CG2-CB 4.46Å; V288-V323 HydrophobicContact CG2-CG1 3.95Å; V288-V323 HydrophobicContact CG2-CG2 4.17Å; V288-D327 HydrophobicContact CB-CB 3.99Å; V288-D327 HydrophobicContact CG1-CB 4.22Å; V288-D327 HydrophobicContact CG2-CB 4.02Å; V288-V328 HydrophobicContact CG1-CG2 4.01Å; V288-A331 HydrophobicContact CG1-CB 4.35Å
289A96.9Very high90.5Very high35 Ų3564.3 Ų64.329%0.28933%0.329SS..Hα-helixtrans-61.2-43178.100000113S287 N293S287-A289 PolarHBondContact O-N 2.76Å; A289-N293 WeakPolarHBondContact O-CB 3.48Å; A289-N293 VanDerWaalsContact O-CG 3.23Å; A289-N293 PolarHBondContact O-N 3.16Å; A289-N293 PolarHBondContact O-ND2 3.13Å
290E95.7Very high91Very high76 Ų7657 Ų5736%0.35530%0.295SS..Hα-helixtrans-65.3-51.3179.2-74157.8151.200111.4Q285 S287 V288 T292 N293 S294Q285-E290 VanDerWaalsContact C-OE2 3.27Å; S287-E290 WeakPolarHBondContact CB-OE2 3.41Å; S287-E290 PolarHBondContact N-OE2 3.18Å; S287-E290 PolarHBondContact O-N 2.99Å; S287-E290 VanDerWaalsContact O-N 3.16Å; S287-E290 WeakPolarHBondContact OG-CB 3.47Å; S287-E290 VanDerWaalsContact OG-CG 3.26Å; S287-E290 WeakPolarHBondContact OG-CG 3.43Å; S287-E290 PolarHBondContact OG-N 3.17Å; S287-E290 PolarHBondContact OG-OE2 3.35Å; V288-E290 PolarHBondContact O-N 2.84Å; E290-T292 VanDerWaalsContact C-N 3.31Å; E290-T292 PolarHBondContact O-N 2.76Å; E290-N293 WeakPolarHBondContact O-CB 3.26Å; E290-N293 PolarHBondContact O-N 3.33Å; E290-N293 VanDerWaalsContact O-N 3.12Å; E290-S294 PolarHBondContact O-N 3.34Å; E290-S294 PolarHBondContact O-OG 3.19Å; E290-S294 VanDerWaalsContact O-OG 3.1Å
291I96.9Very high91.3Very high2 Ų253.4 Ų53.41%0.0128%0.28CS..Hα-helixtrans-64-37.5-178.567.5179.9000111.5A273 P274 L286 S287 V288 S294 C295 Y319 R373 V375A273-I291 HydrophobicContact CB-CB 4.33Å; A273-I291 WeakPolarHBondContact CB-O 3.44Å; P274-I291 HydrophobicContact CG-CG2 4.43Å; L286-I291 HydrophobicContact CB-CG2 4.38Å; S287-I291 WeakPolarHBondContact O-CG1 3.48Å; S287-I291 PolarHBondContact O-N 2.93Å; V288-I291 VanDerWaalsContact O-CG1 3.29Å; V288-I291 WeakPolarHBondContact O-CG1 3.38Å; I291-S294 PolarHBondContact O-N 3.36Å; I291-C295 PolarHBondContact O-N 3.31Å; I291-Y319 HydrophobicContact CD1-CD1 4.31Å; I291-Y319 HydrophobicContact CD1-CE1 4.34Å; I291-R373 HydrophobicContact CD1-CG 4.07Å; I291-V375 HydrophobicContact CB-CG1 3.87Å; I291-V375 HydrophobicContact CD1-CB 4.3Å; I291-V375 HydrophobicContact CD1-CG1 3.97Å; I291-V375 HydrophobicContact CG1-CB 4.48Å; I291-V375 HydrophobicContact CG1-CG1 3.69Å
292T97.4Very high91.9Very high0 Ų052.2 Ų52.20%027%0.27CS..Hα-helixtrans-64.1-43.3174.3-53.50000111V288 E290 S294 C295 F296 L317 Y319 A331 I335V288-T292 WeakPolarHBondContact O-CB 3.25Å; V288-T292 PolarHBondContact O-N 2.95Å; V288-T292 PolarHBondContact O-OG1 2.82Å; E290-T292 VanDerWaalsContact C-N 3.31Å; E290-T292 PolarHBondContact O-N 2.76Å; T292-S294 VanDerWaalsContact C-N 3.33Å; T292-S294 PolarHBondContact O-N 3.43Å; T292-C295 WeakPolarHBondContact O-CB 3.46Å; T292-C295 PolarHBondContact O-N 3.42Å; T292-F296 HydrophobicContact CG2-CE2 4.49Å; T292-F296 WeakPolarHBondContact O-CD2 3.41Å; T292-L317 HydrophobicContact CG2-CD1 4.24Å; T292-Y319 PolarHBondContact OG1-OH 3Å; T292-A331 HydrophobicContact CG2-CB 4.09Å; T292-I335 HydrophobicContact CG2-CG1 3.99Å
293N95.6Very high92.5Very high38 Ų3843.9 Ų43.920%0.20323%0.233CC..Hα-helixtrans-61.7-42.3176.8-79.4-51.4000111.9A289 E290 C295 F296 I335 K338A289-N293 WeakPolarHBondContact O-CB 3.48Å; A289-N293 VanDerWaalsContact O-CG 3.23Å; A289-N293 PolarHBondContact O-N 3.16Å; A289-N293 PolarHBondContact O-ND2 3.13Å; E290-N293 WeakPolarHBondContact O-CB 3.26Å; E290-N293 PolarHBondContact O-N 3.33Å; E290-N293 VanDerWaalsContact O-N 3.12Å; N293-C295 PolarHBondContact O-N 2.9Å; N293-F296 PolarHBondContact O-N 3.22Å; N293-I335 WeakPolarHBondContact OD1-CD1 3.47Å; N293-K338 WeakPolarHBondContact OD1-CE 3.23Å; N293-K338 PolarHBondContact OD1-NZ 3.17Å
294S95Very high93Very high33 Ų3338.8 Ų38.823%0.23121%0.209CC..Hα-helixtrans-60.2-30.9177.2-610000112.8E290 I291 T292 F296 E297 N300E290-S294 PolarHBondContact O-N 3.34Å; E290-S294 PolarHBondContact O-OG 3.19Å; E290-S294 VanDerWaalsContact O-OG 3.1Å; I291-S294 PolarHBondContact O-N 3.36Å; T292-S294 VanDerWaalsContact C-N 3.33Å; T292-S294 PolarHBondContact O-N 3.43Å; S294-F296 PolarHBondContact O-N 3.24Å; S294-E297 WeakPolarHBondContact O-CB 3.42Å; S294-E297 PolarHBondContact O-N 3Å; S294-E297 VanDerWaalsContact O-N 3.15Å; S294-N300 PolarHBondContact O-ND2 3.05Å
295C96Very high93.4Very high0 Ų034.2 Ų34.20%019%0.189CC..Hα-helixtrans-63.8-25.5175.3-76.40000114.1T271 I291 T292 N293 Q301 V375 M377T271-C295 HydrophobicContact CG2-CB 4.03Å; T271-C295 WeakPolarHBondContact CG2-O 3.08Å; I291-C295 PolarHBondContact O-N 3.31Å; T292-C295 WeakPolarHBondContact O-CB 3.46Å; T292-C295 PolarHBondContact O-N 3.42Å; N293-C295 PolarHBondContact O-N 2.9Å; C295-Q301 PolarHBondContact O-NE2 3.23Å; C295-Q301 VanDerWaalsContact O-NE2 3.1Å; C295-V375 VanDerWaalsContact SG-CG1 3.51Å; C295-M377 HydrophobicContact CB-CB 3.92Å; C295-M377 HydrophobicContact CB-CE 4.2Å; C295-M377 HydrophobicContact CB-SD 3.99Å; C295-M377 WeakPolarHBondContact O-CE 3.49Å
296F94.5Very high93.8Very high18 Ų1828.6 Ų28.68%0.07916%0.164CC..THydrogen-bonded Turntrans-93.11.9178-70.7-87.8000112.9T292 N293 S294 Y312 I335 I341 F343 F351 M377T292-F296 HydrophobicContact CG2-CE2 4.49Å; T292-F296 WeakPolarHBondContact O-CD2 3.41Å; N293-F296 PolarHBondContact O-N 3.22Å; S294-F296 PolarHBondContact O-N 3.24Å; F296-Y312 AromaticContact CD1-CE2 3.89Å; F296-Y312 HydrophobicContact CD1-CE2 3.89Å; F296-Y312 AromaticContact CD1-CZ 3.91Å; F296-Y312 HydrophobicContact CE1-CD2 4.41Å; F296-Y312 HydrophobicContact CE1-CE2 4.06Å; F296-I335 HydrophobicContact CD2-CD1 3.56Å; F296-I335 HydrophobicContact CD2-CG1 4.05Å; F296-I335 HydrophobicContact CD2-CG2 4.16Å; F296-I335 HydrophobicContact CE1-CG2 4.19Å; F296-I335 HydrophobicContact CE2-CD1 4.02Å; F296-I335 HydrophobicContact CE2-CG1 3.97Å; F296-I335 HydrophobicContact CE2-CG2 3.84Å; F296-I335 HydrophobicContact CG-CD1 4.22Å; F296-I335 HydrophobicContact CG-CG2 4.49Å; F296-I335 HydrophobicContact CZ-CG2 3.86Å; F296-I341 HydrophobicContact CB-CD1 3.59Å; F296-I341 HydrophobicContact CB-CG1 4.36Å; F296-I341 HydrophobicContact CD1-CD1 3.81Å; F296-I341 HydrophobicContact CD1-CG1 4.31Å; F296-I341 HydrophobicContact CD1-CG2 3.78Å; F296-I341 HydrophobicContact CD2-CD1 4.42Å; F296-I341 HydrophobicContact CE1-CG2 3.95Å; F296-I341 HydrophobicContact CG-CD1 3.68Å; F296-F343 HydrophobicContact CE1-CZ 4.34Å; F296-F351 HydrophobicContact CE2-CE1 4.28Å; F296-F351 AromaticContact CZ-CE1 3.71Å; F296-F351 HydrophobicContact CZ-CE1 3.71Å; F296-F351 AromaticContact CZ-CZ 3.94Å; F296-F351 HydrophobicContact CZ-CZ 3.94Å; F296-M377 HydrophobicContact CD1-CE 4.34Å; F296-M377 HydrophobicContact CD1-SD 4.28Å; F296-M377 HydrophobicContact CD2-SD 4.17Å; F296-M377 HydrophobicContact CE1-CE 4.27Å; F296-M377 HydrophobicContact CE1-SD 3.76Å; F296-M377 HydrophobicContact CE2-SD 3.62Å; F296-M377 HydrophobicContact CG-SD 4.47Å; F296-M377 HydrophobicContact CZ-CE 4.44Å; F296-M377 HydrophobicContact CZ-SD 3.39Å; F296-M377 WeakPolarHBondContact CZ-SD 3.17Å
297E92.9Very high93.8Very high100 Ų10027.2 Ų27.247%0.46716%0.157SC..SBendtrans-80.5130.8173.1-64.1-176.4170.100110.3S294 G299 N300S294-E297 WeakPolarHBondContact O-CB 3.42Å; S294-E297 PolarHBondContact O-N 3Å; S294-E297 VanDerWaalsContact O-N 3.15Å; E297-G299 PolarHBondContact O-N 2.86Å; E297-G299 VanDerWaalsContact O-N 3.08Å; E297-N300 PolarHBondContact O-N 3.47Å
298T91Very high93.5Very high62 Ų6232.8 Ų32.838%0.3817%0.172SC..G310 helixtrans-55.7-30.9179.659.50000112.7N300 Q301 P307 R308T298-N300 PolarHBondContact O-N 3.1Å; T298-Q301 PolarHBondContact O-N 3.12Å; T298-P307 HydrophobicContact CG2-CG 3.93Å; T298-R308 HydrophobicContact CG2-CG 4.44Å
299G89.9Confident93.1Very high28 Ų2837.1 Ų37.129%0.28920%0.199SC..G310 helixtrans-71.4-10.3179.400000115.5I212 E297I212-G299 WeakPolarHBondContact CG1-O 3.25Å; E297-G299 PolarHBondContact O-N 2.86Å; E297-G299 VanDerWaalsContact O-N 3.08Å
300N92.7Very high92.9Very high11 Ų1135.8 Ų35.86%0.05919%0.188CC..G310 helixtrans-108.3-6.1176.7-63.3-35.9000112.7N216 T271 S294 E297 T298 M302N216-N300 PolarHBondContact ND2-OD1 3.39Å; T271-N300 HydrophobicContact CG2-CB 3.87Å; T271-N300 WeakPolarHBondContact CG2-O 3.47Å; S294-N300 PolarHBondContact O-ND2 3.05Å; E297-N300 PolarHBondContact O-N 3.47Å; T298-N300 PolarHBondContact O-N 3.1Å; N300-M302 PolarHBondContact O-N 3Å
301Q93.3Very high92.8Very high5 Ų533.5 Ų33.52%0.02318%0.177CC..BIsolated β-bridgetrans-63.1132.1173.2-64.9-64.9-36.700109.5T271 C295 T298 V303 P307T271-Q301 PolarHBondContact OG1-NE2 3.35Å; T271-Q301 PolarHBondContact OG1-OE1 3.35Å; C295-Q301 PolarHBondContact O-NE2 3.23Å; C295-Q301 VanDerWaalsContact O-NE2 3.1Å; T298-Q301 PolarHBondContact O-N 3.12Å; Q301-V303 PolarHBondContact O-N 3.1Å; Q301-P307 HydrophobicContact CG-CG 4.26Å
302M95Very high92.7Very high0 Ų033.6 Ų33.60%018%0.177CC..SBendtrans-87.611.1178.7-58.6-144.8-172.300113.1V204 D205 I209 I212 L230 I234 A270 I275 N300V204-M302 CarbonylContact C-O 3.54Å; V204-M302 WeakPolarHBondContact CA-O 3.21Å; V204-M302 HydrophobicContact CB-CB 4.39Å; V204-M302 HydrophobicContact CG1-CB 4.03Å; D205-M302 PolarHBondContact N-O 3.07Å; I209-M302 HydrophobicContact CD1-SD 4.08Å; I209-M302 HydrophobicContact CG1-CB 4.14Å; I209-M302 HydrophobicContact CG1-CG 4.32Å; I209-M302 HydrophobicContact CG1-SD 3.86Å; I212-M302 HydrophobicContact CD1-CG 4.12Å; L230-M302 HydrophobicContact CB-CE 4.48Å; I234-M302 HydrophobicContact CD1-CE 3.43Å; I234-M302 VanDerWaalsContact CD1-CE 3.43Å; I234-M302 HydrophobicContact CD1-CG 4.14Å; I234-M302 HydrophobicContact CD1-SD 3.17Å; I234-M302 WeakPolarHBondContact CD1-SD 3.19Å; I234-M302 HydrophobicContact CG1-CE 3.93Å; I234-M302 HydrophobicContact CG1-SD 4.28Å; A270-M302 WeakPolarHBondContact O-CB 3.48Å; A270-M302 PolarHBondContact O-N 3.08Å; I275-M302 HydrophobicContact CD1-CE 3.97Å; N300-M302 PolarHBondContact O-N 3Å
303V93.6Very high92.5Very high3 Ų333.7 Ų33.72%0.01818%0.178CC..SBendtrans-132.9137.9172.3-179.70000109.7M203 D205 L269 Q301 C305 I384M203-V303 HydrophobicContact CB-CG2 3.94Å; M203-V303 VanDerWaalsContact O-CG2 3.24Å; M203-V303 WeakPolarHBondContact O-CG2 3.16Å; D205-V303 WeakPolarHBondContact OD2-CA 3.45Å; L269-V303 HydrophobicContact CD2-CB 3.89Å; L269-V303 HydrophobicContact CD2-CG1 4.12Å; L269-V303 HydrophobicContact CD2-CG2 3.89Å; Q301-V303 PolarHBondContact O-N 3.1Å; V303-C305 VanDerWaalsContact C-N 3.29Å; V303-C305 PolarHBondContact O-N 3.14Å; V303-I384 HydrophobicContact CG1-CD1 4.49Å
304K91.9Very high92.5Very high58 Ų5832.3 Ų32.325%0.25217%0.172SC..SBendtrans-72.381.1175.3-72.6-59.5-168.8179.30109.7P175 D205 E207 A208 D211 R390P175-K304 HydrophobicContact CG-CB 3.9Å; P175-K304 HydrophobicContact CG-CG 4.21Å; D205-K304 WeakPolarHBondContact OD2-CB 3.48Å; D205-K304 WeakPolarHBondContact OD2-CG 3.41Å; D205-K304 PolarHBondContact OD2-N 3.26Å; E207-K304 HydrophobicContact CB-CG 4.33Å; E207-K304 HydrophobicContact CG-CG 4.41Å; E207-K304 WeakPolarHBondContact OE1-CE 3.48Å; A208-K304 HydrophobicContact CB-CD 4.27Å; A208-K304 HydrophobicContact CB-CG 4.22Å; D211-K304 IonicContact OD2-NZ 2.62Å; D211-K304 PolarHBondContact OD2-NZ 3.44Å; K304-R390 VanDerWaalsContact O-CZ 3.27Å; K304-R390 PolarHBondContact O-NH1 3.46Å; K304-R390 PolarHBondContact O-NH2 2.87Å
305C89.3Confident92.5Very high11 Ų1130.9 Ų30.97%0.07416%0.161CC..SBendtrans-148.6151.7165.256.80000107.5L269 V303 P307 A383L269-C305 WeakPolarHBondContact CD1-SG 3.39Å; V303-C305 VanDerWaalsContact C-N 3.29Å; V303-C305 PolarHBondContact O-N 3.14Å; C305-P307 WeakPolarHBondContact O-CD 3.48Å; C305-A383 HydrophobicContact CB-CB 4.44Å; C305-A383 WeakPolarHBondContact CB-O 3.5Å
306D90.1Very high92.4Very high38 Ų3830.9 Ų30.920%0.20316%0.162CC..  trans-92.4105.7175.3-168.7-10.9000109.8R308 T309 A383 E386D306-R308 PolarHBondContact O-N 2.97Å; D306-R308 VanDerWaalsContact OD1-CB 3.22Å; D306-R308 WeakPolarHBondContact OD1-CB 3.27Å; D306-R308 VanDerWaalsContact OD1-CG 3.31Å; D306-R308 WeakPolarHBondContact OD1-CG 3.49Å; D306-R308 IonicContact OD1-CZ 3.66Å; D306-R308 PolarHBondContact OD1-N 3.06Å; D306-R308 IonicContact OD1-NE 2.82Å; D306-R308 PolarHBondContact OD1-NE 2.87Å; D306-R308 IonicContact OD1-NH2 3.64Å; D306-R308 IonicContact OD2-CZ 3.24Å; D306-R308 VanDerWaalsContact OD2-CZ 3.24Å; D306-R308 IonicContact OD2-NE 3.07Å; D306-R308 PolarHBondContact OD2-NE 3.44Å; D306-R308 IonicContact OD2-NH2 2.67Å; D306-R308 PolarHBondContact OD2-NH2 2.91Å; D306-T309 HydrophobicContact CB-CG2 4.02Å; D306-T309 PolarHBondContact O-N 3.47Å; D306-T309 PolarHBondContact O-OG1 2.62Å; D306-A383 WeakPolarHBondContact O-CB 3.46Å; D306-E386 PolarHBondContact N-OE2 3.25Å
307P89.4Confident92.5Very high5 Ų530 Ų303%0.03216%0.158CC..G310 helixtrans-59.7-15.7177.524-35000113.4T298 Q301 C305 T309 G310 Y312T298-P307 HydrophobicContact CG2-CG 3.93Å; Q301-P307 HydrophobicContact CG-CG 4.26Å; C305-P307 WeakPolarHBondContact O-CD 3.48Å; P307-T309 VanDerWaalsContact C-N 3.28Å; P307-T309 PolarHBondContact O-N 3.39Å; P307-G310 PolarHBondContact O-N 3.45Å; P307-G310 VanDerWaalsContact O-O 3.11Å; P307-Y312 HydrophobicContact CB-CE1 4.43Å; P307-Y312 HydrophobicContact CB-CE2 4.23Å; P307-Y312 WeakPolarHBondContact CB-OH 3.49Å
308R88.7Confident92.7Very high157 Ų15725.7 Ų25.759%0.59214%0.138SC*.G310 helixtrans-74.4-17.3175.5-57.1172.1-66.7178.83.1113.2T298 D306 G310T298-R308 HydrophobicContact CG2-CG 4.44Å; D306-R308 PolarHBondContact O-N 2.97Å; D306-R308 VanDerWaalsContact OD1-CB 3.22Å; D306-R308 WeakPolarHBondContact OD1-CB 3.27Å; D306-R308 VanDerWaalsContact OD1-CG 3.31Å; D306-R308 WeakPolarHBondContact OD1-CG 3.49Å; D306-R308 IonicContact OD1-CZ 3.66Å; D306-R308 PolarHBondContact OD1-N 3.06Å; D306-R308 IonicContact OD1-NE 2.82Å; D306-R308 PolarHBondContact OD1-NE 2.87Å; D306-R308 IonicContact OD1-NH2 3.64Å; D306-R308 IonicContact OD2-CZ 3.24Å; D306-R308 VanDerWaalsContact OD2-CZ 3.24Å; D306-R308 IonicContact OD2-NE 3.07Å; D306-R308 PolarHBondContact OD2-NE 3.44Å; D306-R308 IonicContact OD2-NH2 2.67Å; D306-R308 PolarHBondContact OD2-NH2 2.91Å; R308-G310 VanDerWaalsContact C-N 3.31Å
309T89.9Confident93Very high100 Ų10022.8 Ų22.861%0.61312%0.12SC*.G310 helixtrans-92.14.5175.364.20000112.3D306 P307D306-T309 HydrophobicContact CB-CG2 4.02Å; D306-T309 PolarHBondContact O-N 3.47Å; D306-T309 PolarHBondContact O-OG1 2.62Å; P307-T309 VanDerWaalsContact C-N 3.28Å; P307-T309 PolarHBondContact O-N 3.39Å
310G92.2Very high93.3Very high7 Ų721.6 Ų21.67%0.07211%0.107CC..SBendtrans-136.5-173176.100000111.8P307 R308 T382P307-G310 PolarHBondContact O-N 3.45Å; P307-G310 VanDerWaalsContact O-O 3.11Å; R308-G310 VanDerWaalsContact C-N 3.31Å; G310-T382 VanDerWaalsContact CA-OG1 3.28Å; G310-T382 WeakPolarHBondContact CA-OG1 3.35Å
311K93.7Very high93.4Very high28 Ų2821.2 Ų21.212%0.12211%0.105CC..  trans-119.7144.8175.4-63.3179-176166.40109Q342 V344 T381 T382 G436 D438K311-Q342 WeakPolarHBondContact CA-O 3.03Å; K311-Q342 HydrophobicContact CG-CB 4.06Å; K311-V344 HydrophobicContact CB-CG1 3.89Å; K311-V344 HydrophobicContact CD-CG1 4.44Å; K311-T381 VanDerWaalsContact O-CA 3.26Å; K311-T381 WeakPolarHBondContact O-CA 3.21Å; K311-T381 PolarHBondContact O-OG1 2.79Å; K311-T382 PolarHBondContact N-OG1 3.3Å; K311-T382 PolarHBondContact O-N 3.25Å; K311-G436 PolarHBondContact NZ-O 3.44Å; K311-D438 IonicContact NZ-OD1 3.81Å; K311-D438 PolarHBondContact NZ-OD1 2.8Å; K311-D438 IonicContact NZ-OD2 3.16Å; K311-D438 PolarHBondContact NZ-OD2 2.54Å
312Y94.5Very high93.5Very high4 Ų425 Ų252%0.01613%0.126CC..EExtended strand (participates in β ladder)trans-78.9126.6170.6-70.3-75.2000109.5F296 P307 I341 Q342 F343 V344F296-Y312 AromaticContact CD1-CE2 3.89Å; F296-Y312 HydrophobicContact CD1-CE2 3.89Å; F296-Y312 AromaticContact CD1-CZ 3.91Å; F296-Y312 HydrophobicContact CE1-CD2 4.41Å; F296-Y312 HydrophobicContact CE1-CE2 4.06Å; P307-Y312 HydrophobicContact CB-CE1 4.43Å; P307-Y312 HydrophobicContact CB-CE2 4.23Å; P307-Y312 WeakPolarHBondContact CB-OH 3.49Å; Y312-I341 HydrophobicContact CD2-CG2 3.8Å; Y312-I341 HydrophobicContact CE2-CG2 3.8Å; Y312-Q342 WeakPolarHBondContact CD2-O 3.26Å; Y312-Q342 PolarHBondContact N-O 2.71Å; Y312-F343 HydrophobicContact CD2-CZ 4.42Å; Y312-F343 HydrophobicContact CG-CE1 4.26Å; Y312-F343 HydrophobicContact CG-CZ 4.49Å; Y312-F343 VanDerWaalsContact O-CA 3.28Å; Y312-F343 WeakPolarHBondContact O-CA 3.49Å; Y312-V344 PolarHBondContact O-N 2.62Å
313M94.1Very high93.5Very high2 Ų225.3 Ų25.31%0.0113%0.128CC..EExtended strand (participates in β ladder)trans-89.8-39.5173.7-65.3173.9-82.800111P261 I265 V344 W346 C347 N380 T382 Y432 V435P261-M313 HydrophobicContact CG-SD 4.03Å; I265-M313 HydrophobicContact CG2-CE 3.73Å; I265-M313 HydrophobicContact CG2-SD 3.98Å; M313-V344 HydrophobicContact CB-CG2 4.48Å; M313-V344 HydrophobicContact CG-CG1 3.82Å; M313-V344 HydrophobicContact CG-CG2 4.44Å; M313-W346 HydrophobicContact CB-CH2 3.98Å; M313-W346 HydrophobicContact CB-CZ2 4.24Å; M313-W346 HydrophobicContact CG-CH2 4.12Å; M313-W346 HydrophobicContact CG-CZ2 3.88Å; M313-W346 HydrophobicContact SD-CZ2 4.39Å; M313-C347 PolarHBondContact O-SG 3.06Å; M313-N380 HydrophobicContact CE-CB 4.22Å; M313-N380 WeakPolarHBondContact CE-OD1 3.3Å; M313-N380 PolarHBondContact N-O 3.04Å; M313-T382 HydrophobicContact CE-CG2 4.11Å; M313-T382 HydrophobicContact CG-CG2 4.46Å; M313-T382 HydrophobicContact SD-CG2 4.27Å; M313-Y432 HydrophobicContact CE-CD1 3.9Å; M313-Y432 HydrophobicContact CE-CE1 3.71Å; M313-V435 HydrophobicContact CG-CG1 4.09Å; M313-V435 HydrophobicContact SD-CB 4.38Å; M313-V435 HydrophobicContact SD-CG1 3.39Å; M313-V435 WeakPolarHBondContact SD-CG1 3.48Å
314A93.9Very high93.5Very high9 Ų929 Ų297%0.07415%0.15CC..EExtended strand (participates in β ladder)trans-155.2144.9177.700000110.9N258 L259 G350 S379 N380N258-A314 WeakPolarHBondContact O-CB 3.25Å; L259-A314 HydrophobicContact CD2-CB 4.09Å; A314-G350 CarbonylContact C-O 3.58Å; A314-S379 CarbonylContact O-C 3.43Å; A314-S379 VanDerWaalsContact O-CA 3.25Å; A314-S379 WeakPolarHBondContact O-CA 3Å; A314-N380 PolarHBondContact N-O 2.91Å; A314-N380 PolarHBondContact O-N 3.46Å
315C95.1Very high93.7Very high2 Ų228.9 Ų28.91%0.01416%0.155CC..EExtended strand (participates in β ladder)trans-129.9120.2175.3-66.10000110G350 F351 K352 L378C315-G350 PolarHBondContact N-O 3.46Å; C315-F351 HydrophobicContact CB-CD1 3.87Å; C315-F351 HydrophobicContact CB-CE1 3.94Å; C315-F351 HydrophobicContact CB-CG 4.49Å; C315-F351 CarbonylContact O-C 3.52Å; C315-F351 WeakPolarHBondContact O-CA 3.38Å; C315-K352 PolarHBondContact O-N 3.29Å; C315-L378 CarbonylContact C-O 3.52Å; C315-L378 WeakPolarHBondContact CA-O 3.39Å
316C95.1Very high94Very high1 Ų136.1 Ų36.11%0.00719%0.185CC..EExtended strand (participates in β ladder)trans-102.3118.2169.8-169.50000109.4L259 K352 M377 L378L259-C316 HydrophobicContact CD1-CB 4.26Å; L259-C316 HydrophobicContact CD2-CB 3.81Å; L259-C316 HydrophobicContact CG-CB 4.27Å; C316-K352 CarbonylContact C-O 3.6Å; C316-K352 WeakPolarHBondContact CA-O 3.29Å; C316-K352 HydrophobicContact CB-CB 4.32Å; C316-M377 CarbonylContact O-C 3.05Å; C316-M377 VanDerWaalsContact O-CA 3.32Å; C316-M377 WeakPolarHBondContact O-CA 3.29Å; C316-L378 HydrophobicContact CB-CB 4.29Å; C316-L378 PolarHBondContact N-O 3.47Å; C316-L378 PolarHBondContact O-N 3.45Å
317L96.3Very high94.3Very high0 Ų038 Ų380%020%0.196CC..EExtended strand (participates in β ladder)trans-103.1111178.4-65170000109.7T292 Y319 I332 F351 K352 V353 G354 V375 M377T292-L317 HydrophobicContact CG2-CD1 4.24Å; L317-Y319 HydrophobicContact CB-CD2 4.3Å; L317-Y319 HydrophobicContact CB-CE2 3.6Å; L317-Y319 HydrophobicContact CD1-CE2 4.35Å; L317-I332 HydrophobicContact CD1-CD1 3.98Å; L317-I332 HydrophobicContact CD1-CG1 3.81Å; L317-F351 HydrophobicContact CD1-CD1 3.72Å; L317-F351 HydrophobicContact CD1-CE1 3.96Å; L317-F351 HydrophobicContact CG-CD1 4.31Å; L317-K352 PolarHBondContact N-O 3.21Å; L317-V353 WeakPolarHBondContact O-CA 3.5Å; L317-G354 PolarHBondContact O-N 3.39Å; L317-V375 HydrophobicContact CB-CG2 4.22Å; L317-V375 HydrophobicContact CD2-CG2 3.98Å; L317-M377 HydrophobicContact CD2-CB 3.83Å; L317-M377 HydrophobicContact CD2-CG 3.72Å; L317-M377 HydrophobicContact CD2-SD 4.01Å
318L96.6Very high94.7Very high8 Ų837.9 Ų37.94%0.04220%0.195CC..EExtended strand (participates in β ladder)trans-105.795-177.8-56.5177.6000109.6I238 V250 F255 V375 C376 L378I238-L318 HydrophobicContact CB-CD1 4.39Å; I238-L318 HydrophobicContact CG1-CD1 3.95Å; V250-L318 HydrophobicContact CG2-CD2 4.11Å; F255-L318 HydrophobicContact CE1-CD1 4.07Å; F255-L318 HydrophobicContact CE1-CD2 4.39Å; F255-L318 HydrophobicContact CZ-CD1 4.08Å; L318-V375 WeakPolarHBondContact O-CA 3.46Å; L318-C376 HydrophobicContact CB-CB 4.24Å; L318-C376 PolarHBondContact N-O 2.94Å; L318-C376 PolarHBondContact O-N 3.48Å; L318-L378 HydrophobicContact CD1-CD1 4.12Å
319Y97.7Very high95Very high2 Ų235.4 Ų35.41%0.00819%0.193CC..EExtended strand (participates in β ladder)trans-81.6144.7179-65.7-88.6000111.7V288 I291 T292 L317 V323 V328 V353 G354 I355 N356 A374 V375V288-Y319 HydrophobicContact CG1-CE1 3.83Å; I291-Y319 HydrophobicContact CD1-CD1 4.31Å; I291-Y319 HydrophobicContact CD1-CE1 4.34Å; T292-Y319 PolarHBondContact OG1-OH 3Å; L317-Y319 HydrophobicContact CB-CD2 4.3Å; L317-Y319 HydrophobicContact CB-CE2 3.6Å; L317-Y319 HydrophobicContact CD1-CE2 4.35Å; Y319-V323 HydrophobicContact CD1-CG1 3.86Å; Y319-V323 HydrophobicContact CD1-CG2 4.11Å; Y319-V323 HydrophobicContact CG-CG1 3.85Å; Y319-V323 HydrophobicContact CG-CG2 4.44Å; Y319-V328 HydrophobicContact CD2-CG1 4.26Å; Y319-V328 HydrophobicContact CD2-CG2 3.92Å; Y319-V328 HydrophobicContact CE1-CG2 4.33Å; Y319-V328 HydrophobicContact CE2-CB 4.22Å; Y319-V328 HydrophobicContact CE2-CG1 3.45Å; Y319-V328 VanDerWaalsContact CE2-CG1 3.45Å; Y319-V328 HydrophobicContact CE2-CG2 3.71Å; Y319-V328 HydrophobicContact CG-CG2 4.32Å; Y319-V353 HydrophobicContact CD2-CG1 4.17Å; Y319-V353 HydrophobicContact CE2-CG1 4.25Å; Y319-G354 PolarHBondContact N-O 2.84Å; Y319-I355 HydrophobicContact CD2-CG1 4.36Å; Y319-N356 PolarHBondContact O-N 2.81Å; Y319-A374 CarbonylContact C-O 3.54Å; Y319-A374 WeakPolarHBondContact CA-O 3.35Å; Y319-V375 HydrophobicContact CD1-CB 3.65Å; Y319-V375 HydrophobicContact CD1-CG2 3.88Å; Y319-V375 HydrophobicContact CD2-CG2 4.38Å; Y319-V375 HydrophobicContact CE1-CB 3.68Å; Y319-V375 HydrophobicContact CE1-CG1 4.28Å; Y319-V375 HydrophobicContact CE1-CG2 3.7Å; Y319-V375 HydrophobicContact CE2-CG2 4.23Å; Y319-V375 HydrophobicContact CG-CB 4.32Å; Y319-V375 HydrophobicContact CG-CG2 4.22Å
320R96.2Very high95.4Very high2 Ų233.1 Ų33.11%0.00818%0.184CC..EExtended strand (participates in β ladder)trans-122.2139.1173.7-62.3-66.6-61.7-102.2-12.4108.9E27 S236 A240 N356 Q358 P360 R373 A374E27-R320 IonicContact OE1-CZ 2.7Å; E27-R320 IonicContact OE1-NH1 3.63Å; E27-R320 IonicContact OE1-NH2 3.97Å; E27-R320 PolarHBondContact OE1-NH2 2.82Å; S236-R320 PolarHBondContact O-NH1 2.97Å; S236-R320 PolarHBondContact OG-NH1 2.64Å; A240-R320 VanDerWaalsContact CB-NH1 3.33Å; R320-N356 CarbonylContact C-O 3.58Å; R320-N356 WeakPolarHBondContact CA-O 3.46Å; R320-Q358 PolarHBondContact NE-O 3.38Å; R320-P360 HydrophobicContact CB-CG 3.85Å; R320-P360 HydrophobicContact CG-CG 4.42Å; R320-R373 WeakPolarHBondContact O-CA 3.14Å; R320-R373 WeakPolarHBondContact O-CB 3.39Å; R320-A374 PolarHBondContact N-O 3.48Å; R320-A374 PolarHBondContact O-N 2.81Å; R320-A374 VanDerWaalsContact O-N 3.09Å
321G95.3Very high95.6Very high3 Ų332.9 Ų32.93%0.03118%0.182CC..EExtended strand (participates in β ladder)trans93-146.7170.300000115.1V323 N356 Q358 Q372G321-V323 PolarHBondContact O-N 2.54Å; G321-N356 PolarHBondContact N-O 2.83Å; G321-Q358 PolarHBondContact N-O 3.19Å; G321-Q372 VanDerWaalsContact CA-O 3.3Å; G321-Q372 WeakPolarHBondContact CA-O 3.38Å
322D94.5Very high95.7Very high84 Ų8432.2 Ų32.245%0.44918%0.179SC..SBendtrans-79.365.3-172.369.5-24.9000113Q372 R373D322-Q372 PolarHBondContact N-O 3.37Å; D322-R373 IonicContact OD1-CZ 3.33Å; D322-R373 IonicContact OD1-NE 2.73Å; D322-R373 PolarHBondContact OD1-NE 3.34Å; D322-R373 IonicContact OD1-NH2 3.13Å; D322-R373 PolarHBondContact OD1-NH2 3.17Å; D322-R373 VanDerWaalsContact OD1-NH2 3.13Å; D322-R373 IonicContact OD2-CZ 3.69Å; D322-R373 IonicContact OD2-NE 3.86Å; D322-R373 IonicContact OD2-NH2 2.72Å; D322-R373 PolarHBondContact OD2-NH2 3.17Å
323V95.8Very high95.7Very high7 Ų734.6 Ų34.64%0.04220%0.2CC..  trans-114.2130.2-177.5178.30000110.7V288 Y319 G321 V328 I355 R373V288-V323 HydrophobicContact CG1-CG1 4.34Å; V288-V323 HydrophobicContact CG2-CB 4.46Å; V288-V323 HydrophobicContact CG2-CG1 3.95Å; V288-V323 HydrophobicContact CG2-CG2 4.17Å; Y319-V323 HydrophobicContact CD1-CG1 3.86Å; Y319-V323 HydrophobicContact CD1-CG2 4.11Å; Y319-V323 HydrophobicContact CG-CG1 3.85Å; Y319-V323 HydrophobicContact CG-CG2 4.44Å; G321-V323 PolarHBondContact O-N 2.54Å; V323-V328 HydrophobicContact CG1-CG2 3.36Å; V323-I355 HydrophobicContact CB-CG2 4.23Å; V323-I355 HydrophobicContact CG1-CD1 4.48Å; V323-R373 HydrophobicContact CG2-CB 3.88Å
324V94.1Very high95.8Very high80 Ų8038.5 Ų38.549%0.48522%0.221SC..  trans-106.8137.4180-176.40000110K326 D327 V328V324-K326 HydrophobicContact CG1-CB 4.34Å; V324-K326 PolarHBondContact O-N 2.73Å; V324-D327 PolarHBondContact O-N 3.03Å; V324-V328 PolarHBondContact O-N 3.19Å
325P94.7Very high95.8Very high57 Ų5738.1 Ų38.137%0.3722%0.218SC..Hα-helixtrans-52.9-32.4-178.6-28.232.3000115.2D327 V328 N329 I355P325-D327 PolarHBondContact O-N 3.11Å; P325-V328 PolarHBondContact O-N 3.41Å; P325-N329 PolarHBondContact O-N 3.03Å; P325-N329 PolarHBondContact O-ND2 3.07Å; P325-I355 HydrophobicContact CB-CD1 4.28Å; P325-I355 HydrophobicContact CG-CD1 3.82Å
326K96.6Very high95.6Very high162 Ų16243.1 Ų43.170%0.70424%0.239SC*.Hα-helixtrans-59-45.8177.3-177.5-175.5174.6-172.80112V324 V328 N329 A330V324-K326 HydrophobicContact CG1-CB 4.34Å; V324-K326 PolarHBondContact O-N 2.73Å; K326-V328 VanDerWaalsContact C-N 3.34Å; K326-N329 PolarHBondContact O-N 2.85Å; K326-A330 PolarHBondContact O-N 2.99Å; K326-A330 VanDerWaalsContact O-N 3.1Å
327D96.9Very high95.5Very high79 Ų7948.1 Ų48.142%0.42227%0.27SS..Hα-helixtrans-72.7-34.2-177.1-61.1-22.9000110.8V288 V324 P325 A330 A331V288-D327 HydrophobicContact CB-CB 3.99Å; V288-D327 HydrophobicContact CG1-CB 4.22Å; V288-D327 HydrophobicContact CG2-CB 4.02Å; V324-D327 PolarHBondContact O-N 3.03Å; P325-D327 PolarHBondContact O-N 3.11Å; D327-A330 PolarHBondContact O-N 3.07Å; D327-A331 WeakPolarHBondContact O-CB 3.42Å; D327-A331 PolarHBondContact O-N 3.17Å
328V96.8Very high95.3Very high1 Ų151.7 Ų51.71%0.00629%0.285CS..Hα-helixtrans-62-48172.9178.10000111.1V288 Y319 V323 V324 P325 K326 A330 A331 I332 V353 I355V288-V328 HydrophobicContact CG1-CG2 4.01Å; Y319-V328 HydrophobicContact CD2-CG1 4.26Å; Y319-V328 HydrophobicContact CD2-CG2 3.92Å; Y319-V328 HydrophobicContact CE1-CG2 4.33Å; Y319-V328 HydrophobicContact CE2-CB 4.22Å; Y319-V328 HydrophobicContact CE2-CG1 3.45Å; Y319-V328 VanDerWaalsContact CE2-CG1 3.45Å; Y319-V328 HydrophobicContact CE2-CG2 3.71Å; Y319-V328 HydrophobicContact CG-CG2 4.32Å; V323-V328 HydrophobicContact CG1-CG2 3.36Å; V324-V328 PolarHBondContact O-N 3.19Å; P325-V328 PolarHBondContact O-N 3.41Å; K326-V328 VanDerWaalsContact C-N 3.34Å; V328-A330 VanDerWaalsContact C-N 3.31Å; V328-A330 PolarHBondContact O-N 3.31Å; V328-A331 PolarHBondContact O-N 3.31Å; V328-I332 HydrophobicContact CG1-CD1 3.75Å; V328-I332 HydrophobicContact CG1-CG1 4.37Å; V328-I332 WeakPolarHBondContact O-CG1 3.44Å; V328-I332 PolarHBondContact O-N 3.48Å; V328-V353 HydrophobicContact CG1-CB 4.48Å; V328-V353 HydrophobicContact CG1-CG1 3.76Å; V328-V353 HydrophobicContact CG1-CG2 3.84Å; V328-I355 HydrophobicContact CG2-CD1 4.1Å
329N95.5Very high94.9Very high105 Ų10560.6 Ų60.656%0.56132%0.324SS*.Hα-helixtrans-61.7-39.6178.3-72.8-32.9000112P325 K326 A333P325-N329 PolarHBondContact O-N 3.03Å; P325-N329 PolarHBondContact O-ND2 3.07Å; K326-N329 PolarHBondContact O-N 2.85Å; N329-A333 WeakPolarHBondContact O-CB 3.35Å; N329-A333 PolarHBondContact O-N 3.21Å
330A97.5Very high94.5Very high52 Ų5265.4 Ų65.443%0.4335%0.354SS..Hα-helixtrans-65.2-41.7174.600000112.1K326 D327 V328 A333 N334K326-A330 PolarHBondContact O-N 2.99Å; K326-A330 VanDerWaalsContact O-N 3.1Å; D327-A330 PolarHBondContact O-N 3.07Å; V328-A330 VanDerWaalsContact C-N 3.31Å; V328-A330 PolarHBondContact O-N 3.31Å; A330-A333 PolarHBondContact O-N 3.4Å; A330-N334 VanDerWaalsContact O-CG 3.3Å; A330-N334 PolarHBondContact O-N 3.12Å; A330-N334 VanDerWaalsContact O-N 3.08Å; A330-N334 PolarHBondContact O-ND2 3.28Å
331A97Very high94.3Very high2 Ų266.2 Ų66.22%0.01736%0.358CS..Hα-helixtrans-63.2-45.8176.500000111.8V288 T292 D327 V328 N334 I335V288-A331 HydrophobicContact CG1-CB 4.35Å; T292-A331 HydrophobicContact CG2-CB 4.09Å; D327-A331 WeakPolarHBondContact O-CB 3.42Å; D327-A331 PolarHBondContact O-N 3.17Å; V328-A331 PolarHBondContact O-N 3.31Å; A331-N334 WeakPolarHBondContact O-CB 3.02Å; A331-N334 PolarHBondContact O-N 2.89Å; A331-I335 WeakPolarHBondContact O-CG1 3.37Å; A331-I335 PolarHBondContact O-N 2.93Å
332I95.8Very high94.1Very high14 Ų1470.9 Ų70.97%0.07238%0.379CS..Hα-helixtrans-63-43.2176.7-67.6169000111.1L317 V328 N334 I335 K336 F351 V353L317-I332 HydrophobicContact CD1-CD1 3.98Å; L317-I332 HydrophobicContact CD1-CG1 3.81Å; V328-I332 HydrophobicContact CG1-CD1 3.75Å; V328-I332 HydrophobicContact CG1-CG1 4.37Å; V328-I332 WeakPolarHBondContact O-CG1 3.44Å; V328-I332 PolarHBondContact O-N 3.48Å; I332-N334 VanDerWaalsContact C-N 3.25Å; I332-N334 PolarHBondContact O-N 3.24Å; I332-I335 PolarHBondContact O-N 3.35Å; I332-I335 VanDerWaalsContact O-N 3.14Å; I332-K336 HydrophobicContact CG2-CD 4.47Å; I332-K336 WeakPolarHBondContact O-CG 3.48Å; I332-K336 PolarHBondContact O-N 2.95Å; I332-F351 HydrophobicContact CD1-CB 4.34Å; I332-F351 HydrophobicContact CD1-CD1 4.27Å; I332-F351 HydrophobicContact CD1-CG 4.45Å; I332-F351 HydrophobicContact CG1-CD1 4.14Å; I332-F351 HydrophobicContact CG1-CE1 4.41Å; I332-F351 HydrophobicContact CG2-CB 4.39Å; I332-F351 HydrophobicContact CG2-CD1 4.14Å; I332-F351 HydrophobicContact CG2-CD2 3.84Å; I332-F351 HydrophobicContact CG2-CE1 4.34Å; I332-F351 HydrophobicContact CG2-CE2 4.07Å; I332-F351 HydrophobicContact CG2-CG 3.86Å; I332-F351 HydrophobicContact CG2-CZ 4.29Å; I332-V353 HydrophobicContact CD1-CG2 3.49Å; I332-V353 VanDerWaalsContact CD1-CG2 3.49Å
333A94.7Very high94Very high54 Ų5469.1 Ų69.145%0.44637%0.367SS..Hα-helixtrans-56.5-43.1175.600000111N329 A330 K336 T337N329-A333 WeakPolarHBondContact O-CB 3.35Å; N329-A333 PolarHBondContact O-N 3.21Å; A330-A333 PolarHBondContact O-N 3.4Å; A333-K336 PolarHBondContact O-N 3.46Å; A333-T337 WeakPolarHBondContact O-CG2 3.27Å; A333-T337 PolarHBondContact O-N 3.21Å
334N95.4Very high93.8Very high85 Ų8569 Ų6946%0.45537%0.367SS..Hα-helixtrans-64.7-42175.8-68.6-22.7000112.6A330 A331 I332 K336 T337A330-N334 VanDerWaalsContact O-CG 3.3Å; A330-N334 PolarHBondContact O-N 3.12Å; A330-N334 VanDerWaalsContact O-N 3.08Å; A330-N334 PolarHBondContact O-ND2 3.28Å; A331-N334 WeakPolarHBondContact O-CB 3.02Å; A331-N334 PolarHBondContact O-N 2.89Å; I332-N334 VanDerWaalsContact C-N 3.25Å; I332-N334 PolarHBondContact O-N 3.24Å; N334-K336 VanDerWaalsContact C-N 3.32Å; N334-K336 PolarHBondContact O-N 2.98Å; N334-T337 PolarHBondContact O-N 2.79Å; N334-T337 VanDerWaalsContact O-N 3.11Å; N334-T337 PolarHBondContact O-OG1 2.8Å
335I94.3Very high93.5Very high0 Ų068.1 Ų68.10%036%0.359CS..Hα-helixtrans-57.5-45.1175.4-68.7-61.2000111.3T292 N293 F296 A331 I332 T337 K338 I341 F351T292-I335 HydrophobicContact CG2-CG1 3.99Å; N293-I335 WeakPolarHBondContact OD1-CD1 3.47Å; F296-I335 HydrophobicContact CD2-CD1 3.56Å; F296-I335 HydrophobicContact CD2-CG1 4.05Å; F296-I335 HydrophobicContact CD2-CG2 4.16Å; F296-I335 HydrophobicContact CE1-CG2 4.19Å; F296-I335 HydrophobicContact CE2-CD1 4.02Å; F296-I335 HydrophobicContact CE2-CG1 3.97Å; F296-I335 HydrophobicContact CE2-CG2 3.84Å; F296-I335 HydrophobicContact CG-CD1 4.22Å; F296-I335 HydrophobicContact CG-CG2 4.49Å; F296-I335 HydrophobicContact CZ-CG2 3.86Å; A331-I335 WeakPolarHBondContact O-CG1 3.37Å; A331-I335 PolarHBondContact O-N 2.93Å; I332-I335 PolarHBondContact O-N 3.35Å; I332-I335 VanDerWaalsContact O-N 3.14Å; I335-T337 PolarHBondContact O-N 2.88Å; I335-T337 VanDerWaalsContact O-N 3.11Å; I335-K338 HydrophobicContact CD1-CD 4.31Å; I335-K338 WeakPolarHBondContact O-CB 3.13Å; I335-K338 PolarHBondContact O-N 3.45Å; I335-I341 HydrophobicContact CD1-CD1 4.01Å; I335-I341 HydrophobicContact CG2-CD1 3.82Å; I335-I341 HydrophobicContact CG2-CG2 4.27Å; I335-F351 HydrophobicContact CB-CZ 4.46Å; I335-F351 HydrophobicContact CG2-CE1 4.46Å; I335-F351 HydrophobicContact CG2-CZ 3.75Å
336K91.8Very high93.1Very high107 Ų10770 Ų7047%0.46536%0.359SS..Hα-helixtrans-62-19178.6-68.3-173.1177.6-162.60113.8I332 A333 N334 T349 F351I332-K336 HydrophobicContact CG2-CD 4.47Å; I332-K336 WeakPolarHBondContact O-CG 3.48Å; I332-K336 PolarHBondContact O-N 2.95Å; A333-K336 PolarHBondContact O-N 3.46Å; N334-K336 VanDerWaalsContact C-N 3.32Å; N334-K336 PolarHBondContact O-N 2.98Å; K336-T349 PolarHBondContact NZ-O 2.78Å; K336-F351 HydrophobicContact CG-CE2 4.07Å
337T92.4Very high92.3Very high106 Ų10663.5 Ų63.565%0.6533%0.334SS*.THydrogen-bonded Turntrans-83.6-14.4175.269.60000114.1A333 N334 I335 K339A333-T337 WeakPolarHBondContact O-CG2 3.27Å; A333-T337 PolarHBondContact O-N 3.21Å; N334-T337 PolarHBondContact O-N 2.79Å; N334-T337 VanDerWaalsContact O-N 3.11Å; N334-T337 PolarHBondContact O-OG1 2.8Å; I335-T337 PolarHBondContact O-N 2.88Å; I335-T337 VanDerWaalsContact O-N 3.11Å; T337-K339 PolarHBondContact O-N 3.27Å
338K92.5Very high90.8Very high76 Ų7664.9 Ų64.933%0.3335%0.347SS..  trans-80.6110.9-175-70.4-176.7166.8-175.40110.6N293 I335 T340 I341N293-K338 WeakPolarHBondContact OD1-CE 3.23Å; N293-K338 PolarHBondContact OD1-NZ 3.17Å; I335-K338 HydrophobicContact CD1-CD 4.31Å; I335-K338 WeakPolarHBondContact O-CB 3.13Å; I335-K338 PolarHBondContact O-N 3.45Å; K338-T340 PolarHBondContact O-N 2.88Å; K338-I341 HydrophobicContact CB-CB 4.47Å; K338-I341 HydrophobicContact CB-CD1 3.97Å; K338-I341 HydrophobicContact CB-CG1 4.14Å; K338-I341 HydrophobicContact CD-CD1 3.75Å; K338-I341 HydrophobicContact CG-CD1 4.48Å; K338-I341 PolarHBondContact O-N 3.33Å
339K88.4Confident89.5Confident195 Ų19569.8 Ų69.885%0.84838%0.377SS*.THydrogen-bonded Turntrans-58.7-21.9177.4-62.7-172.7177.7-1730114.9T337 I341T337-K339 PolarHBondContact O-N 3.27Å; K339-I341 PolarHBondContact O-N 2.92Å
340T88.4Confident88.8Confident103 Ų10365 Ų6563%0.63235%0.353SS*.THydrogen-bonded Turntrans-77.8-9.2177.656.40000113.2K338K338-T340 PolarHBondContact O-N 2.88Å
341I91.5Very high88.5Confident19 Ų1964.1 Ų64.110%0.09734%0.34CS..SBendtrans-114.1105.7-179.8-56.6175.4000106.3F296 Y312 I335 K338 K339 F343F296-I341 HydrophobicContact CB-CD1 3.59Å; F296-I341 HydrophobicContact CB-CG1 4.36Å; F296-I341 HydrophobicContact CD1-CD1 3.81Å; F296-I341 HydrophobicContact CD1-CG1 4.31Å; F296-I341 HydrophobicContact CD1-CG2 3.78Å; F296-I341 HydrophobicContact CD2-CD1 4.42Å; F296-I341 HydrophobicContact CE1-CG2 3.95Å; F296-I341 HydrophobicContact CG-CD1 3.68Å; Y312-I341 HydrophobicContact CD2-CG2 3.8Å; Y312-I341 HydrophobicContact CE2-CG2 3.8Å; I335-I341 HydrophobicContact CD1-CD1 4.01Å; I335-I341 HydrophobicContact CG2-CD1 3.82Å; I335-I341 HydrophobicContact CG2-CG2 4.27Å; K338-I341 HydrophobicContact CB-CB 4.47Å; K338-I341 HydrophobicContact CB-CD1 3.97Å; K338-I341 HydrophobicContact CB-CG1 4.14Å; K338-I341 HydrophobicContact CD-CD1 3.75Å; K338-I341 HydrophobicContact CG-CD1 4.48Å; K338-I341 PolarHBondContact O-N 3.33Å; K339-I341 PolarHBondContact O-N 2.92Å; I341-F343 HydrophobicContact CG2-CD2 4.31Å; I341-F343 HydrophobicContact CG2-CE2 3.5Å; I341-F343 HydrophobicContact CG2-CZ 4.02Å
342Q91.6Very high88.3Confident101 Ų10167 Ų6747%0.47235%0.352SS..  trans-101135.8-177.6-63.1-172.1-12.900110.1K311 Y312K311-Q342 WeakPolarHBondContact CA-O 3.03Å; K311-Q342 HydrophobicContact CG-CB 4.06Å; Y312-Q342 WeakPolarHBondContact CD2-O 3.26Å; Y312-Q342 PolarHBondContact N-O 2.71Å
343F92Very high88.2Confident46 Ų4667.3 Ų67.320%0.20235%0.354CS..BIsolated β-bridgetrans-111.7153.8171.3-70.2-94.3000108.5F296 Y312 I341 F351F296-F343 HydrophobicContact CE1-CZ 4.34Å; Y312-F343 HydrophobicContact CD2-CZ 4.42Å; Y312-F343 HydrophobicContact CG-CE1 4.26Å; Y312-F343 HydrophobicContact CG-CZ 4.49Å; Y312-F343 VanDerWaalsContact O-CA 3.28Å; Y312-F343 WeakPolarHBondContact O-CA 3.49Å; I341-F343 HydrophobicContact CG2-CD2 4.31Å; I341-F343 HydrophobicContact CG2-CE2 3.5Å; I341-F343 HydrophobicContact CG2-CZ 4.02Å; F343-F351 HydrophobicContact CE1-CD2 4.42Å; F343-F351 AromaticContact CE1-CE2 3.7Å; F343-F351 HydrophobicContact CE1-CE2 3.7Å; F343-F351 AromaticContact CE1-CZ 3.96Å; F343-F351 HydrophobicContact CE1-CZ 3.96Å; F343-F351 AromaticContact CE2-CE2 3.99Å; F343-F351 HydrophobicContact CE2-CE2 3.99Å; F343-F351 HydrophobicContact CE2-CZ 4.1Å; F343-F351 HydrophobicContact CZ-CD2 4.44Å; F343-F351 HydrophobicContact CZ-CE1 4.38Å; F343-F351 AromaticContact CZ-CE2 3.35Å; F343-F351 HydrophobicContact CZ-CE2 3.35Å; F343-F351 AromaticContact CZ-CZ 3.32Å; F343-F351 HydrophobicContact CZ-CZ 3.32Å
344V91.5Very high88.2Confident6 Ų665 Ų654%0.03634%0.335CS..  trans-61.4146166.1-61.40000110.4K311 Y312 M313 W346 C347K311-V344 HydrophobicContact CB-CG1 3.89Å; K311-V344 HydrophobicContact CD-CG1 4.44Å; Y312-V344 PolarHBondContact O-N 2.62Å; M313-V344 HydrophobicContact CB-CG2 4.48Å; M313-V344 HydrophobicContact CG-CG1 3.82Å; M313-V344 HydrophobicContact CG-CG2 4.44Å; V344-W346 HydrophobicContact CB-CD2 4.21Å; V344-W346 HydrophobicContact CB-CG 4.42Å; V344-W346 HydrophobicContact CB-CZ2 3.91Å; V344-W346 HydrophobicContact CG1-CZ2 3.97Å; V344-W346 HydrophobicContact CG2-CD2 3.74Å; V344-W346 HydrophobicContact CG2-CE3 4.11Å; V344-W346 HydrophobicContact CG2-CG 4.33Å; V344-W346 HydrophobicContact CG2-CH2 3.83Å; V344-W346 HydrophobicContact CG2-CZ2 3.42Å; V344-W346 VanDerWaalsContact CG2-CZ2 3.42Å; V344-W346 HydrophobicContact CG2-CZ3 4.17Å; V344-C347 HydrophobicContact CG2-CB 3.48Å; V344-C347 VanDerWaalsContact CG2-CB 3.48Å
345D87.4Confident88.2Confident61 Ų6161 Ų6133%0.32631%0.314SS..THydrogen-bonded Turntrans-70.8-35-176.557.5-12.8000112.8C347 T439D345-C347 VanDerWaalsContact C-N 3.28Å; D345-C347 PolarHBondContact O-N 3Å; D345-T439 WeakPolarHBondContact OD2-CB 2.99Å; D345-T439 PolarHBondContact OD2-N 3.18Å; D345-T439 PolarHBondContact OD2-OG1 3.45Å
346W86.6Confident88.2Confident95 Ų9561.3 Ų61.336%0.3632%0.316SS..THydrogen-bonded Turntrans-75.2-9.5-178.855.7-102.4000114.2P261 M313 V344 P348 V435P261-W346 HydrophobicContact CB-CH2 3.82Å; P261-W346 HydrophobicContact CB-CZ3 4.27Å; P261-W346 HydrophobicContact CG-CH2 4.22Å; M313-W346 HydrophobicContact CB-CH2 3.98Å; M313-W346 HydrophobicContact CB-CZ2 4.24Å; M313-W346 HydrophobicContact CG-CH2 4.12Å; M313-W346 HydrophobicContact CG-CZ2 3.88Å; M313-W346 HydrophobicContact SD-CZ2 4.39Å; V344-W346 HydrophobicContact CB-CD2 4.21Å; V344-W346 HydrophobicContact CB-CG 4.42Å; V344-W346 HydrophobicContact CB-CZ2 3.91Å; V344-W346 HydrophobicContact CG1-CZ2 3.97Å; V344-W346 HydrophobicContact CG2-CD2 3.74Å; V344-W346 HydrophobicContact CG2-CE3 4.11Å; V344-W346 HydrophobicContact CG2-CG 4.33Å; V344-W346 HydrophobicContact CG2-CH2 3.83Å; V344-W346 HydrophobicContact CG2-CZ2 3.42Å; V344-W346 VanDerWaalsContact CG2-CZ2 3.42Å; V344-W346 HydrophobicContact CG2-CZ3 4.17Å; W346-P348 WeakPolarHBondContact O-CD 3.09Å; W346-V435 HydrophobicContact CH2-CG1 4.27Å; W346-V435 HydrophobicContact CZ2-CG1 3.33Å; W346-V435 PolarHBondContact NE1-O 3.18Å
347C79.6Confident88.2Confident27 Ų2762.9 Ų62.918%0.18232%0.32CS..  trans-110.883.5177.3-168.20000112M313 V344 D345 T349M313-C347 PolarHBondContact O-SG 3.06Å; V344-C347 HydrophobicContact CG2-CB 3.48Å; V344-C347 VanDerWaalsContact CG2-CB 3.48Å; D345-C347 VanDerWaalsContact C-N 3.28Å; D345-C347 PolarHBondContact O-N 3Å; C347-T349 PolarHBondContact O-N 2.98Å
348P65.5Low88.2Confident107 Ų10761.4 Ų61.470%0.69531%0.305SS*.SBendtrans-69.9-31.9-172.125.5-34.7000113.8W346W346-P348 WeakPolarHBondContact O-CD 3.09Å
349T69.4Low88.4Confident104 Ų10459.5 Ų59.564%0.63830%0.301SS*.SBendtrans-84.8-35.9-175.547.50000111.8K336 C347 F351K336-T349 PolarHBondContact NZ-O 2.78Å; C347-T349 PolarHBondContact O-N 2.98Å; T349-F351 PolarHBondContact O-N 2.97Å
350G81.2Confident88.7Confident6 Ų650.7 Ų50.76%0.06226%0.263CS..  trans58-19.716700000117.4A314 C315A314-G350 CarbonylContact C-O 3.58Å; C315-G350 PolarHBondContact N-O 3.46Å
351F91.9Very high89Confident33 Ų3347.1 Ų47.115%0.14524%0.242CC..EExtended strand (participates in β ladder)trans-130.5128.9-168.3-72.9-93.5000111.1F296 C315 L317 I332 I335 K336 F343 T349F296-F351 HydrophobicContact CE2-CE1 4.28Å; F296-F351 AromaticContact CZ-CE1 3.71Å; F296-F351 HydrophobicContact CZ-CE1 3.71Å; F296-F351 AromaticContact CZ-CZ 3.94Å; F296-F351 HydrophobicContact CZ-CZ 3.94Å; C315-F351 HydrophobicContact CB-CD1 3.87Å; C315-F351 HydrophobicContact CB-CE1 3.94Å; C315-F351 HydrophobicContact CB-CG 4.49Å; C315-F351 CarbonylContact O-C 3.52Å; C315-F351 WeakPolarHBondContact O-CA 3.38Å; L317-F351 HydrophobicContact CD1-CD1 3.72Å; L317-F351 HydrophobicContact CD1-CE1 3.96Å; L317-F351 HydrophobicContact CG-CD1 4.31Å; I332-F351 HydrophobicContact CD1-CB 4.34Å; I332-F351 HydrophobicContact CD1-CD1 4.27Å; I332-F351 HydrophobicContact CD1-CG 4.45Å; I332-F351 HydrophobicContact CG1-CD1 4.14Å; I332-F351 HydrophobicContact CG1-CE1 4.41Å; I332-F351 HydrophobicContact CG2-CB 4.39Å; I332-F351 HydrophobicContact CG2-CD1 4.14Å; I332-F351 HydrophobicContact CG2-CD2 3.84Å; I332-F351 HydrophobicContact CG2-CE1 4.34Å; I332-F351 HydrophobicContact CG2-CE2 4.07Å; I332-F351 HydrophobicContact CG2-CG 3.86Å; I332-F351 HydrophobicContact CG2-CZ 4.29Å; I335-F351 HydrophobicContact CB-CZ 4.46Å; I335-F351 HydrophobicContact CG2-CE1 4.46Å; I335-F351 HydrophobicContact CG2-CZ 3.75Å; K336-F351 HydrophobicContact CG-CE2 4.07Å; F343-F351 HydrophobicContact CE1-CD2 4.42Å; F343-F351 AromaticContact CE1-CE2 3.7Å; F343-F351 HydrophobicContact CE1-CE2 3.7Å; F343-F351 AromaticContact CE1-CZ 3.96Å; F343-F351 HydrophobicContact CE1-CZ 3.96Å; F343-F351 AromaticContact CE2-CE2 3.99Å; F343-F351 HydrophobicContact CE2-CE2 3.99Å; F343-F351 HydrophobicContact CE2-CZ 4.1Å; F343-F351 HydrophobicContact CZ-CD2 4.44Å; F343-F351 HydrophobicContact CZ-CE1 4.38Å; F343-F351 AromaticContact CZ-CE2 3.35Å; F343-F351 HydrophobicContact CZ-CE2 3.35Å; F343-F351 AromaticContact CZ-CZ 3.32Å; F343-F351 HydrophobicContact CZ-CZ 3.32Å; T349-F351 PolarHBondContact O-N 2.97Å
352K92.8Very high89.1Confident63 Ų6347.7 Ų47.727%0.27425%0.249SC..EExtended strand (participates in β ladder)trans-109.8141.6162.4-176.968.6175.1-162.50108.3V250 E254 N258 C315 C316 L317V250-K352 HydrophobicContact CG2-CG 4.42Å; E254-K352 WeakPolarHBondContact OE2-CE 3.45Å; E254-K352 IonicContact OE2-NZ 3.24Å; E254-K352 PolarHBondContact OE2-NZ 3.37Å; N258-K352 HydrophobicContact CB-CB 4.31Å; N258-K352 HydrophobicContact CB-CG 4.39Å; C315-K352 PolarHBondContact O-N 3.29Å; C316-K352 CarbonylContact C-O 3.6Å; C316-K352 WeakPolarHBondContact CA-O 3.29Å; C316-K352 HydrophobicContact CB-CB 4.32Å; L317-K352 PolarHBondContact N-O 3.21Å
353V93.9Very high89.1Confident20 Ų2043.6 Ų43.612%0.12123%0.231CC..EExtended strand (participates in β ladder)trans-124.1133-179.3175.70000109.1L248 L317 Y319 V328 I332 I355L248-V353 VanDerWaalsContact CB-O 3.25Å; L248-V353 WeakPolarHBondContact CB-O 3.48Å; L248-V353 HydrophobicContact CD1-CB 4.17Å; L248-V353 HydrophobicContact CD1-CG1 3.98Å; L317-V353 WeakPolarHBondContact O-CA 3.5Å; Y319-V353 HydrophobicContact CD2-CG1 4.17Å; Y319-V353 HydrophobicContact CE2-CG1 4.25Å; V328-V353 HydrophobicContact CG1-CB 4.48Å; V328-V353 HydrophobicContact CG1-CG1 3.76Å; V328-V353 HydrophobicContact CG1-CG2 3.84Å; I332-V353 HydrophobicContact CD1-CG2 3.49Å; I332-V353 VanDerWaalsContact CD1-CG2 3.49Å; V353-I355 HydrophobicContact CG1-CD1 4.29Å; V353-I355 HydrophobicContact CG1-CG1 3.94Å
354G94.3Very high89.1Confident5 Ų546.1 Ų46.15%0.05225%0.252CS..EExtended strand (participates in β ladder)trans-122.8139.2163.700000110.3L248 L317 Y319L248-G354 WeakPolarHBondContact O-CA 3.49Å; L317-G354 PolarHBondContact O-N 3.39Å; Y319-G354 PolarHBondContact N-O 2.84Å
355I95.5Very high88.9Confident2 Ų249.9 Ų49.91%0.0129%0.291CS..EExtended strand (participates in β ladder)trans-127.3113179-58.8172.5000108.7G246 A247 Y319 V323 P325 V328 V353 Y357G246-I355 CarbonylContact C-O 3.59Å; G246-I355 WeakPolarHBondContact CA-O 3.3Å; A247-I355 HydrophobicContact CB-CB 4.42Å; A247-I355 PolarHBondContact N-O 3.15Å; A247-I355 PolarHBondContact O-N 3.44Å; Y319-I355 HydrophobicContact CD2-CG1 4.36Å; V323-I355 HydrophobicContact CB-CG2 4.23Å; V323-I355 HydrophobicContact CG1-CD1 4.48Å; P325-I355 HydrophobicContact CB-CD1 4.28Å; P325-I355 HydrophobicContact CG-CD1 3.82Å; V328-I355 HydrophobicContact CG2-CD1 4.1Å; V353-I355 HydrophobicContact CG1-CD1 4.29Å; V353-I355 HydrophobicContact CG1-CG1 3.94Å; I355-Y357 HydrophobicContact CG2-CD1 4.42Å; I355-Y357 HydrophobicContact CG2-CE1 4.36Å
356N93.8Very high88.9Confident6 Ų648 Ų483%0.03229%0.287CS..EExtended strand (participates in β ladder)trans-101.2132.5172.3-162.6-84.9000110.3A240 F244 D245 Y319 R320 G321 Q358A240-N356 HydrophobicContact CB-CB 4.06Å; A240-N356 PolarHBondContact O-ND2 2.66Å; F244-N356 WeakPolarHBondContact CB-ND2 3.36Å; F244-N356 WeakPolarHBondContact CB-OD1 3.48Å; F244-N356 PolarHBondContact O-ND2 2.72Å; F244-N356 VanDerWaalsContact O-ND2 3.1Å; D245-N356 PolarHBondContact O-ND2 2.84Å; Y319-N356 PolarHBondContact O-N 2.81Å; R320-N356 CarbonylContact C-O 3.58Å; R320-N356 WeakPolarHBondContact CA-O 3.46Å; G321-N356 PolarHBondContact N-O 2.83Å; N356-Q358 VanDerWaalsContact C-N 3.26Å; N356-Q358 PolarHBondContact O-N 2.87Å; N356-Q358 VanDerWaalsContact OD1-CB 3.23Å; N356-Q358 WeakPolarHBondContact OD1-CB 3.48Å; N356-Q358 PolarHBondContact OD1-N 2.88Å
357Y93.1Very high89.1Confident139 Ų13946 Ų4655%0.54528%0.283SS..SBendtrans-75.1-17.3-176.5-56.3-42.3000113.4D245 A247 I355 P359D245-Y357 PolarHBondContact O-N 3.27Å; A247-Y357 HydrophobicContact CB-CE1 4.43Å; I355-Y357 HydrophobicContact CG2-CD1 4.42Å; I355-Y357 HydrophobicContact CG2-CE1 4.36Å; Y357-P359 WeakPolarHBondContact O-CD 3.45Å
358Q92.5Very high89.7Confident76 Ų7646.2 Ų46.236%0.35528%0.282SS..SBendtrans-76.4119.6177.7-172.864.915.500109.9F244 R320 G321 N356F244-Q358 HydrophobicContact CB-CB 4.4Å; F244-Q358 HydrophobicContact CD2-CB 4.27Å; F244-Q358 HydrophobicContact CD2-CG 4.42Å; F244-Q358 HydrophobicContact CE2-CG 4.48Å; F244-Q358 HydrophobicContact CG-CB 4.22Å; R320-Q358 PolarHBondContact NE-O 3.38Å; G321-Q358 PolarHBondContact N-O 3.19Å; N356-Q358 VanDerWaalsContact C-N 3.26Å; N356-Q358 PolarHBondContact O-N 2.87Å; N356-Q358 VanDerWaalsContact OD1-CB 3.23Å; N356-Q358 WeakPolarHBondContact OD1-CB 3.48Å; N356-Q358 PolarHBondContact OD1-N 2.88Å
359P94.9Very high90.9Very high36 Ų3641.6 Ų41.623%0.23425%0.253CS..PPolyproline II helixtrans-64.3160.2174.228.3-34.9000111.1Y357Y357-P359 WeakPolarHBondContact O-CD 3.45Å
360P95.4Very high92Very high9 Ų944.6 Ų44.66%0.05826%0.257CS..PPolyproline II helixtrans-59.4139.4174.2-20.132000111.5Y272 R320 V371 A374Y272-P360 WeakPolarHBondContact OH-CB 3.4Å; Y272-P360 WeakPolarHBondContact OH-CG 3.36Å; R320-P360 HydrophobicContact CB-CG 3.85Å; R320-P360 HydrophobicContact CG-CG 4.42Å; P360-V371 HydrophobicContact CB-CG2 4.35Å; P360-V371 HydrophobicContact CG-CG2 3.97Å; P360-A374 HydrophobicContact CG-CB 3.44Å; P360-A374 VanDerWaalsContact CG-CB 3.44Å
361T95.2Very high92.6Very high29 Ų2945 Ų4518%0.17826%0.258CS..PPolyproline II helixtrans-90.2127.3174.6-64.40000109.8L23 L26 E27 Q233L23-T361 HydrophobicContact CD1-CG2 4.24Å; L23-T361 VanDerWaalsContact CD1-O 3.27Å; L23-T361 WeakPolarHBondContact CD1-O 3.39Å; L26-T361 HydrophobicContact CB-CG2 3.79Å; E27-T361 HydrophobicContact CG-CG2 4.44Å; E27-T361 WeakPolarHBondContact CG-OG1 3.34Å; Q233-T361 PolarHBondContact NE2-O 3.08Å
362A92.3Very high92.7Very high30 Ų3049 Ų4925%0.24828%0.278CS..PPolyproline II helixtrans-85.5135.2172.100000110K370A362-K370 HydrophobicContact CB-CB 4.2Å
363V93.3Very high92.8Very high16 Ų1648.8 Ų48.810%0.09728%0.275CS..PPolyproline II helixtrans-72.6128.2174.5-179.70000109E22 L23 L26 G365 G366E22-V363 HydrophobicContact CG-CG1 4.27Å; L23-V363 HydrophobicContact CD1-CG2 4.48Å; L26-V363 HydrophobicContact CD1-CB 4.3Å; L26-V363 HydrophobicContact CD1-CG1 4.24Å; L26-V363 HydrophobicContact CD1-CG2 4.08Å; V363-G365 PolarHBondContact O-N 2.8Å; V363-G366 WeakPolarHBondContact O-CA 3.4Å; V363-G366 PolarHBondContact O-N 3.26Å
364P90.6Very high93Very high99 Ų9947.9 Ų47.964%0.64327%0.269SS*.THydrogen-bonded Turntrans-55.4127.1175.9-26.134.8000112L26 G366L26-P364 HydrophobicContact CD2-CG 4.44Å; P364-G366 PolarHBondContact O-N 3.2Å
365G87.3Confident93.1Very high84 Ų8447.6 Ų47.687%0.86627%0.267SS*.THydrogen-bonded Turntrans71.29.7-175.300000114.7V363V363-G365 PolarHBondContact O-N 2.8Å
366G88.4Confident93.2Very high22 Ų2247.5 Ų47.523%0.22727%0.267CS..  trans-80.8169.5170.500000112.8V363 P364V363-G366 WeakPolarHBondContact O-CA 3.4Å; V363-G366 PolarHBondContact O-N 3.26Å; P364-G366 PolarHBondContact O-N 3.2Å
367D89.7Confident93.3Very high54 Ų5447.2 Ų47.229%0.28927%0.265SS..SBendtrans-81.4-22.2-173.6-46.7-82.3000113.8L217 I219 N226 S277L217-D367 HydrophobicContact CD1-CB 4.11Å; I219-D367 HydrophobicContact CD1-CB 3.87Å; N226-D367 PolarHBondContact ND2-OD2 2.64Å; S277-D367 WeakPolarHBondContact CA-O 3.29Å
368L91.9Very high93.5Very high31 Ų3140.6 Ų40.616%0.16224%0.239CC..BIsolated β-bridgetrans-78.1134.8-178.6-72.4171.8000111.5L217 L230 Q233 I275L217-L368 HydrophobicContact CD2-CD2 3.97Å; L230-L368 HydrophobicContact CD2-CD1 4.09Å; L230-L368 HydrophobicContact CD2-CD2 3.91Å; L230-L368 HydrophobicContact CD2-CG 4.32Å; Q233-L368 HydrophobicContact CG-CD1 3.69Å; I275-L368 HydrophobicContact CG2-CD2 4.2Å
369A91.7Very high93.6Very high10 Ų1037 Ų378%0.08322%0.222CC..PPolyproline II helixtrans-66.2150.917000000111.7I276 A281 V371I276-A369 HydrophobicContact CG2-CB 3.98Å; I276-A369 PolarHBondContact O-N 2.82Å; A281-A369 HydrophobicContact CB-CB 3.43Å; A281-A369 VanDerWaalsContact CB-CB 3.43Å; A369-V371 HydrophobicContact CB-CG1 4.48Å; A369-V371 PolarHBondContact O-N 3Å
370K92.4Very high93.6Very high166 Ų16635.3 Ų35.372%0.72221%0.211SC*.PPolyproline II helixtrans-71.5120.6164.8-174.2176.4-178.2176.80109.2A362A362-K370 HydrophobicContact CB-CB 4.2Å
371V93.9Very high93.6Very high14 Ų1434.9 Ų34.99%0.08521%0.209CC..  trans-118.1152.4-180-63.60000111.1P274 I276 L286 P360 A369 R373 A374P274-V371 HydrophobicContact CG-CG1 4.04Å; I276-V371 HydrophobicContact CG2-CG1 4.09Å; L286-V371 HydrophobicContact CD1-CB 4.38Å; L286-V371 HydrophobicContact CD1-CG1 3.87Å; P360-V371 HydrophobicContact CB-CG2 4.35Å; P360-V371 HydrophobicContact CG-CG2 3.97Å; A369-V371 HydrophobicContact CB-CG1 4.48Å; A369-V371 PolarHBondContact O-N 3Å; V371-R373 WeakPolarHBondContact CG2-O 3.31Å; V371-A374 HydrophobicContact CG2-CB 4.49Å
372Q93.3Very high93.6Very high118 Ų11834.3 Ų34.355%0.55121%0.205SC*.SBendtrans-83.1-19.5177.3-62.2-59.2-29.400112.7G321 D322G321-Q372 VanDerWaalsContact CA-O 3.3Å; G321-Q372 WeakPolarHBondContact CA-O 3.38Å; D322-Q372 PolarHBondContact N-O 3.37Å
373R95.7Very high93.7Very high59 Ų5933 Ų3322%0.22319%0.194CC..EExtended strand (participates in β ladder)trans-151.1153.9176.563.9-171.379117.4-3.4112.4L286 I291 R320 D322 V323 V371L286-R373 VanDerWaalsContact O-CD 3.23Å; L286-R373 WeakPolarHBondContact O-CD 3.38Å; L286-R373 PolarHBondContact O-NH1 2.74Å; I291-R373 HydrophobicContact CD1-CG 4.07Å; R320-R373 WeakPolarHBondContact O-CA 3.14Å; R320-R373 WeakPolarHBondContact O-CB 3.39Å; D322-R373 IonicContact OD1-CZ 3.33Å; D322-R373 IonicContact OD1-NE 2.73Å; D322-R373 PolarHBondContact OD1-NE 3.34Å; D322-R373 IonicContact OD1-NH2 3.13Å; D322-R373 PolarHBondContact OD1-NH2 3.17Å; D322-R373 VanDerWaalsContact OD1-NH2 3.13Å; D322-R373 IonicContact OD2-CZ 3.69Å; D322-R373 IonicContact OD2-NE 3.86Å; D322-R373 IonicContact OD2-NH2 2.72Å; D322-R373 PolarHBondContact OD2-NH2 3.17Å; V323-R373 HydrophobicContact CG2-CB 3.88Å; V371-R373 WeakPolarHBondContact CG2-O 3.31Å
374A96.9Very high93.8Very high0 Ų032.3 Ų32.30%019%0.19CC..EExtended strand (participates in β ladder)trans-152170.5169.700000109.9Y272 A273 Y319 R320 P360 V371Y272-A374 HydrophobicContact CE1-CB 4.07Å; Y272-A374 HydrophobicContact CE2-CB 4.34Å; Y272-A374 WeakPolarHBondContact OH-CB 3.47Å; A273-A374 CarbonylContact O-C 3.51Å; A273-A374 VanDerWaalsContact O-CA 3.24Å; A273-A374 WeakPolarHBondContact O-CA 3.31Å; A273-A374 WeakPolarHBondContact O-CB 3.39Å; Y319-A374 CarbonylContact C-O 3.54Å; Y319-A374 WeakPolarHBondContact CA-O 3.35Å; R320-A374 PolarHBondContact N-O 3.48Å; R320-A374 PolarHBondContact O-N 2.81Å; R320-A374 VanDerWaalsContact O-N 3.09Å; P360-A374 HydrophobicContact CG-CB 3.44Å; P360-A374 VanDerWaalsContact CG-CB 3.44Å; V371-A374 HydrophobicContact CG2-CB 4.49Å
375V97.5Very high93.9Very high0 Ų028.8 Ų28.80%017%0.169CC..EExtended strand (participates in β ladder)trans-137.4132.1173.555.70000109.2A273 I291 C295 L317 L318 Y319A273-V375 HydrophobicContact CB-CG1 4.2Å; A273-V375 PolarHBondContact N-O 3.37Å; A273-V375 PolarHBondContact O-N 2.86Å; I291-V375 HydrophobicContact CB-CG1 3.87Å; I291-V375 HydrophobicContact CD1-CB 4.3Å; I291-V375 HydrophobicContact CD1-CG1 3.97Å; I291-V375 HydrophobicContact CG1-CB 4.48Å; I291-V375 HydrophobicContact CG1-CG1 3.69Å; C295-V375 VanDerWaalsContact SG-CG1 3.51Å; L317-V375 HydrophobicContact CB-CG2 4.22Å; L317-V375 HydrophobicContact CD2-CG2 3.98Å; L318-V375 WeakPolarHBondContact O-CA 3.46Å; Y319-V375 HydrophobicContact CD1-CB 3.65Å; Y319-V375 HydrophobicContact CD1-CG2 3.88Å; Y319-V375 HydrophobicContact CD2-CG2 4.38Å; Y319-V375 HydrophobicContact CE1-CB 3.68Å; Y319-V375 HydrophobicContact CE1-CG1 4.28Å; Y319-V375 HydrophobicContact CE1-CG2 3.7Å; Y319-V375 HydrophobicContact CE2-CG2 4.23Å; Y319-V375 HydrophobicContact CG-CB 4.32Å; Y319-V375 HydrophobicContact CG-CG2 4.22Å
376C97.2Very high94.2Very high0 Ų028.6 Ų28.60%015%0.145CC..EExtended strand (participates in β ladder)trans-101.7126.5165.2179.60000107.7I234 S237 T271 Y272 L318I234-C376 VanDerWaalsContact CG2-SG 3.56Å; S237-C376 VanDerWaalsContact CB-CB 3.41Å; T271-C376 CarbonylContact O-C 3.46Å; T271-C376 WeakPolarHBondContact O-CA 3.26Å; Y272-C376 HydrophobicContact CD2-CB 3.93Å; Y272-C376 HydrophobicContact CE2-CB 4.33Å; L318-C376 HydrophobicContact CB-CB 4.24Å; L318-C376 PolarHBondContact N-O 2.94Å; L318-C376 PolarHBondContact O-N 3.48Å
377M96.9Very high94.5Very high0 Ų027.6 Ų27.60%014%0.135CC..EExtended strand (participates in β ladder)trans-105.5128.9173.4-175.4177.476.200109.4A270 T271 C295 F296 C316 L317A270-M377 CarbonylContact C-O 3.47Å; T271-M377 PolarHBondContact N-O 2.78Å; T271-M377 PolarHBondContact O-N 2.86Å; C295-M377 HydrophobicContact CB-CB 3.92Å; C295-M377 HydrophobicContact CB-CE 4.2Å; C295-M377 HydrophobicContact CB-SD 3.99Å; C295-M377 WeakPolarHBondContact O-CE 3.49Å; F296-M377 HydrophobicContact CD1-CE 4.34Å; F296-M377 HydrophobicContact CD1-SD 4.28Å; F296-M377 HydrophobicContact CD2-SD 4.17Å; F296-M377 HydrophobicContact CE1-CE 4.27Å; F296-M377 HydrophobicContact CE1-SD 3.76Å; F296-M377 HydrophobicContact CE2-SD 3.62Å; F296-M377 HydrophobicContact CG-SD 4.47Å; F296-M377 HydrophobicContact CZ-CE 4.44Å; F296-M377 HydrophobicContact CZ-SD 3.39Å; F296-M377 WeakPolarHBondContact CZ-SD 3.17Å; C316-M377 CarbonylContact O-C 3.05Å; C316-M377 VanDerWaalsContact O-CA 3.32Å; C316-M377 WeakPolarHBondContact O-CA 3.29Å; L317-M377 HydrophobicContact CD2-CB 3.83Å; L317-M377 HydrophobicContact CD2-CG 3.72Å; L317-M377 HydrophobicContact CD2-SD 4.01Å
378L96Very high94.7Very high0 Ų025 Ų250%012%0.121CC..EExtended strand (participates in β ladder)trans-109121.4166.9-50.9174.6000107.2F202 I234 I238 F255 L259 P268 L269 A270 C315 C316 L318F202-L378 HydrophobicContact CD1-CD1 3.96Å; F202-L378 HydrophobicContact CD1-CD2 3.99Å; F202-L378 HydrophobicContact CD1-CG 4.4Å; F202-L378 HydrophobicContact CE1-CB 4.49Å; F202-L378 HydrophobicContact CE1-CD1 3.38Å; F202-L378 HydrophobicContact CE1-CD2 4.29Å; F202-L378 HydrophobicContact CE1-CG 4.23Å; F202-L378 HydrophobicContact CZ-CD1 3.9Å; I234-L378 HydrophobicContact CG2-CD2 4.49Å; I238-L378 HydrophobicContact CD1-CD1 3.95Å; I238-L378 HydrophobicContact CD1-CD2 3.76Å; I238-L378 HydrophobicContact CD1-CG 4.45Å; I238-L378 HydrophobicContact CG1-CD1 3.7Å; I238-L378 HydrophobicContact CG1-CD2 4.11Å; I238-L378 HydrophobicContact CG1-CG 4.36Å; F255-L378 HydrophobicContact CD1-CD1 3.93Å; F255-L378 HydrophobicContact CE1-CD1 3.65Å; F255-L378 HydrophobicContact CZ-CD1 4.44Å; L259-L378 HydrophobicContact CD1-CB 3.81Å; L259-L378 HydrophobicContact CD1-CD1 4.14Å; L259-L378 HydrophobicContact CD2-CB 4.46Å; L259-L378 WeakPolarHBondContact CD2-O 3.33Å; P268-L378 HydrophobicContact CB-CB 4.45Å; L269-L378 CarbonylContact O-C 3.37Å; L269-L378 WeakPolarHBondContact O-CA 3.37Å; A270-L378 HydrophobicContact CB-CD2 4.19Å; C315-L378 CarbonylContact C-O 3.52Å; C315-L378 WeakPolarHBondContact CA-O 3.39Å; C316-L378 HydrophobicContact CB-CB 4.29Å; C316-L378 PolarHBondContact N-O 3.47Å; C316-L378 PolarHBondContact O-N 3.45Å; L318-L378 HydrophobicContact CD1-CD1 4.12Å
379S95.2Very high94.8Very high0 Ų025.6 Ų25.60%013%0.131CC..EExtended strand (participates in β ladder)trans-131.5121.6-175.458.70000111.4P268 L269 A314P268-S379 WeakPolarHBondContact CA-O 3.47Å; L269-S379 PolarHBondContact N-O 3.36Å; L269-S379 PolarHBondContact O-N 3.01Å; A314-S379 CarbonylContact O-C 3.43Å; A314-S379 VanDerWaalsContact O-CA 3.25Å; A314-S379 WeakPolarHBondContact O-CA 3Å
380N95Very high94.9Very high0 Ų028.1 Ų28.10%014%0.138CC..EExtended strand (participates in β ladder)trans-84.1120.7168.2-159.5-10.8000108.3L259 I265 P268 M313 A314L259-N380 VanDerWaalsContact O-CB 3.25Å; L259-N380 WeakPolarHBondContact O-CB 3.4Å; L259-N380 PolarHBondContact O-ND2 3.27Å; I265-N380 PolarHBondContact O-ND2 2.75Å; P268-N380 HydrophobicContact CG-CB 4.5Å; M313-N380 HydrophobicContact CE-CB 4.22Å; M313-N380 WeakPolarHBondContact CE-OD1 3.3Å; M313-N380 PolarHBondContact N-O 3.04Å; A314-N380 PolarHBondContact N-O 2.91Å; A314-N380 PolarHBondContact O-N 3.46Å
381T94.9Very high95Very high1 Ų120.5 Ų20.51%0.00611%0.105CC..EExtended strand (participates in β ladder)trans-141.3143.6-174.1176.40000110.6L269 K311 A383 I384L269-T381 HydrophobicContact CD1-CG2 3.33Å; L269-T381 HydrophobicContact CG-CG2 3.86Å; K311-T381 VanDerWaalsContact O-CA 3.26Å; K311-T381 WeakPolarHBondContact O-CA 3.21Å; K311-T381 PolarHBondContact O-OG1 2.79Å; T381-A383 HydrophobicContact CG2-CB 4.06Å; T381-A383 PolarHBondContact O-N 3.25Å; T381-A383 VanDerWaalsContact O-N 3.16Å; T381-A383 PolarHBondContact OG1-N 3.38Å; T381-I384 WeakPolarHBondContact O-CG2 3.47Å; T381-I384 PolarHBondContact O-N 2.79Å
382T95.4Very high95.1Very high17 Ų1720 Ų2010%0.10410%0.102CC..G310 helixtrans-66.3-13.2176.3630000112.9G310 K311 M313 I384 A385 Y432G310-T382 VanDerWaalsContact CA-OG1 3.28Å; G310-T382 WeakPolarHBondContact CA-OG1 3.35Å; K311-T382 PolarHBondContact N-OG1 3.3Å; K311-T382 PolarHBondContact O-N 3.25Å; M313-T382 HydrophobicContact CE-CG2 4.11Å; M313-T382 HydrophobicContact CG-CG2 4.46Å; M313-T382 HydrophobicContact SD-CG2 4.27Å; T382-I384 PolarHBondContact O-N 3.45Å; T382-A385 VanDerWaalsContact O-CB 3.24Å; T382-A385 WeakPolarHBondContact O-CB 3.21Å; T382-A385 PolarHBondContact O-N 2.65Å; T382-A385 VanDerWaalsContact O-N 3.09Å; T382-Y432 VanDerWaalsContact CG2-O 3.29Å; T382-Y432 WeakPolarHBondContact CG2-O 3.47Å
383A94.7Very high95.2Very high3 Ų323 Ų233%0.02511%0.108CC..G310 helixtrans-62.5-21.8175.100000113.7C305 D306 T381 A385 E386C305-A383 HydrophobicContact CB-CB 4.44Å; C305-A383 WeakPolarHBondContact CB-O 3.5Å; D306-A383 WeakPolarHBondContact O-CB 3.46Å; T381-A383 HydrophobicContact CG2-CB 4.06Å; T381-A383 PolarHBondContact O-N 3.25Å; T381-A383 VanDerWaalsContact O-N 3.16Å; T381-A383 PolarHBondContact OG1-N 3.38Å; A383-A385 PolarHBondContact O-N 3.47Å; A383-E386 WeakPolarHBondContact O-CB 3.35Å; A383-E386 PolarHBondContact O-N 3.02Å; A383-E386 VanDerWaalsContact O-N 3.14Å
384I94.8Very high95.2Very high1 Ų123.3 Ų23.31%0.00511%0.111CC..G310 helixtrans-60.1-24.2173.5-169.178.3000112M203 F267 L269 V303 T381 T382 E386 A387 W388 Y432M203-I384 HydrophobicContact CG-CD1 4.48Å; F267-I384 HydrophobicContact CB-CG1 4.48Å; L269-I384 HydrophobicContact CD2-CB 4.48Å; L269-I384 HydrophobicContact CD2-CD1 3.43Å; L269-I384 VanDerWaalsContact CD2-CD1 3.43Å; L269-I384 HydrophobicContact CD2-CG1 4.44Å; V303-I384 HydrophobicContact CG1-CD1 4.49Å; T381-I384 WeakPolarHBondContact O-CG2 3.47Å; T381-I384 PolarHBondContact O-N 2.79Å; T382-I384 PolarHBondContact O-N 3.45Å; I384-E386 PolarHBondContact O-N 3.26Å; I384-E386 VanDerWaalsContact O-N 3.13Å; I384-A387 HydrophobicContact CD1-CB 4.25Å; I384-A387 WeakPolarHBondContact O-CA 3.2Å; I384-A387 VanDerWaalsContact O-CB 3.26Å; I384-A387 WeakPolarHBondContact O-CB 3.47Å; I384-A387 PolarHBondContact O-N 2.89Å; I384-W388 HydrophobicContact CG1-CZ2 4.1Å; I384-W388 PolarHBondContact O-N 3.31Å; I384-Y432 HydrophobicContact CG2-CD1 3.77Å; I384-Y432 HydrophobicContact CG2-CD2 4.06Å; I384-Y432 HydrophobicContact CG2-CE1 3.29Å; I384-Y432 HydrophobicContact CG2-CE2 3.68Å; I384-Y432 HydrophobicContact CG2-CG 4.12Å
385A94.1Very high95.2Very high24 Ų2423.4 Ų23.420%0.19811%0.112CC..Hα-helixtrans-55.3-30.6174.900000113T382 A383 A387 W388 A389T382-A385 VanDerWaalsContact O-CB 3.24Å; T382-A385 WeakPolarHBondContact O-CB 3.21Å; T382-A385 PolarHBondContact O-N 2.65Å; T382-A385 VanDerWaalsContact O-N 3.09Å; A383-A385 PolarHBondContact O-N 3.47Å; A385-A387 VanDerWaalsContact C-N 3.28Å; A385-A387 PolarHBondContact O-N 3.45Å; A385-W388 PolarHBondContact O-N 3.35Å; A385-A389 WeakPolarHBondContact O-CB 3.49Å; A385-A389 PolarHBondContact O-N 3.38Å
386E93.1Very high95.2Very high80 Ų8026.6 Ų26.637%0.37413%0.129SC..Hα-helixtrans-63.5-35.4173.9-163-155.614200112D306 A383 I384 R390D306-E386 PolarHBondContact N-OE2 3.25Å; A383-E386 WeakPolarHBondContact O-CB 3.35Å; A383-E386 PolarHBondContact O-N 3.02Å; A383-E386 VanDerWaalsContact O-N 3.14Å; I384-E386 PolarHBondContact O-N 3.26Å; I384-E386 VanDerWaalsContact O-N 3.13Å; E386-R390 VanDerWaalsContact CD-NH1 3.33Å; E386-R390 VanDerWaalsContact O-CG 3.31Å; E386-R390 WeakPolarHBondContact O-CG 3.42Å; E386-R390 PolarHBondContact O-N 3.45Å; E386-R390 IonicContact OE1-CZ 2.69Å; E386-R390 IonicContact OE1-NH1 3.74Å; E386-R390 PolarHBondContact OE1-NH1 3.5Å
387A93.4Very high95.1Very high1 Ų131.8 Ų31.81%0.00816%0.156CC..Hα-helixtrans-68.3-43.6178.300000111.3Y172 I384 A385 R390 L391Y172-A387 HydrophobicContact CE1-CB 3.9Å; I384-A387 HydrophobicContact CD1-CB 4.25Å; I384-A387 WeakPolarHBondContact O-CA 3.2Å; I384-A387 VanDerWaalsContact O-CB 3.26Å; I384-A387 WeakPolarHBondContact O-CB 3.47Å; I384-A387 PolarHBondContact O-N 2.89Å; A385-A387 VanDerWaalsContact C-N 3.28Å; A385-A387 PolarHBondContact O-N 3.45Å; A387-R390 PolarHBondContact O-N 3.28Å; A387-L391 PolarHBondContact O-N 3.5Å; A387-L391 VanDerWaalsContact O-N 3.17Å
388W94.7Very high95.1Very high0 Ų033.2 Ų33.20%016%0.163CC..Hα-helixtrans-60.2-50.7174.2-55.3132.4000111.3Y172 T191 M203 F267 I384 A385 R390 L391 D392 T425 L428 E429 Y432Y172-W388 HydrophobicContact CD2-CH2 4.38Å; Y172-W388 HydrophobicContact CD2-CZ3 4.41Å; Y172-W388 HydrophobicContact CE2-CE3 4.06Å; Y172-W388 AromaticContact CE2-CH2 3.57Å; Y172-W388 HydrophobicContact CE2-CH2 3.57Å; Y172-W388 AromaticContact CE2-CZ3 3.25Å; Y172-W388 HydrophobicContact CE2-CZ3 3.25Å; Y172-W388 AromaticContact CZ-CE3 3.77Å; Y172-W388 AromaticContact CZ-CZ3 3.47Å; Y172-W388 VanDerWaalsContact CZ-CZ3 3.47Å; Y172-W388 WeakPolarHBondContact OH-CZ3 2.82Å; T191-W388 HydrophobicContact CG2-CH2 4.12Å; T191-W388 HydrophobicContact CG2-CZ3 3.89Å; M203-W388 HydrophobicContact CE-CH2 4.02Å; M203-W388 HydrophobicContact CE-CZ2 4.5Å; F267-W388 HydrophobicContact CB-CZ2 4.21Å; F267-W388 HydrophobicContact CD1-CH2 4.02Å; F267-W388 AromaticContact CD1-CZ2 3.85Å; F267-W388 HydrophobicContact CD1-CZ2 3.85Å; F267-W388 AromaticContact CD2-CZ2 3.92Å; F267-W388 HydrophobicContact CD2-CZ2 3.92Å; F267-W388 HydrophobicContact CE1-CH2 4.01Å; F267-W388 HydrophobicContact CE1-CZ2 4.16Å; F267-W388 HydrophobicContact CE2-CZ2 4.22Å; F267-W388 HydrophobicContact CG-CH2 4.36Å; F267-W388 AromaticContact CG-CZ2 3.72Å; F267-W388 HydrophobicContact CG-CZ2 3.72Å; F267-W388 HydrophobicContact CZ-CH2 4.32Å; F267-W388 HydrophobicContact CZ-CZ2 4.34Å; I384-W388 HydrophobicContact CG1-CZ2 4.1Å; I384-W388 PolarHBondContact O-N 3.31Å; A385-W388 PolarHBondContact O-N 3.35Å; W388-R390 PolarHBondContact O-N 3.14Å; W388-R390 VanDerWaalsContact O-N 3.12Å; W388-L391 HydrophobicContact CE3-CD2 4.5Å; W388-L391 WeakPolarHBondContact O-CA 3.34Å; W388-L391 VanDerWaalsContact O-CB 3.32Å; W388-L391 WeakPolarHBondContact O-CB 3.45Å; W388-L391 PolarHBondContact O-N 3Å; W388-D392 WeakPolarHBondContact O-CB 3.08Å; W388-D392 PolarHBondContact O-N 2.88Å; W388-T425 HydrophobicContact CB-CG2 4.32Å; W388-T425 HydrophobicContact CE3-CG2 4.24Å; W388-L428 HydrophobicContact CD2-CD2 4.33Å; W388-L428 HydrophobicContact CZ2-CD2 4.29Å; W388-E429 HydrophobicContact CB-CG 3.56Å; W388-E429 WeakPolarHBondContact CB-OE1 3.41Å; W388-E429 HydrophobicContact CG-CG 4.44Å; W388-Y432 AromaticContact NE1-CE2 3.62Å
389A94.8Very high95.1Very high44 Ų4435.7 Ų35.736%0.36417%0.173SC..Hα-helixtrans-59.8-34.3-177.300000113A385 R393 E429A385-A389 WeakPolarHBondContact O-CB 3.49Å; A385-A389 PolarHBondContact O-N 3.38Å; A389-R393 WeakPolarHBondContact O-CB 3.34Å; A389-R393 PolarHBondContact O-N 3.45Å; A389-R393 VanDerWaalsContact O-N 3.08Å; A389-E429 WeakPolarHBondContact CA-OE1 3.28Å; A389-E429 PolarHBondContact N-OE1 3.24Å
390R93.6Very high95.2Very high63 Ų6339.9 Ų39.924%0.23821%0.207CC..Hα-helixtrans-70.7-39.5174.3-70.8-177.5-43-126.12.4112.2K304 E386 A387 W388 K394K304-R390 VanDerWaalsContact O-CZ 3.27Å; K304-R390 PolarHBondContact O-NH1 3.46Å; K304-R390 PolarHBondContact O-NH2 2.87Å; E386-R390 VanDerWaalsContact CD-NH1 3.33Å; E386-R390 VanDerWaalsContact O-CG 3.31Å; E386-R390 WeakPolarHBondContact O-CG 3.42Å; E386-R390 PolarHBondContact O-N 3.45Å; E386-R390 IonicContact OE1-CZ 2.69Å; E386-R390 IonicContact OE1-NH1 3.74Å; E386-R390 PolarHBondContact OE1-NH1 3.5Å; A387-R390 PolarHBondContact O-N 3.28Å; W388-R390 PolarHBondContact O-N 3.14Å; W388-R390 VanDerWaalsContact O-N 3.12Å; R390-K394 WeakPolarHBondContact O-CG 3.48Å; R390-K394 PolarHBondContact O-N 3.22Å
391L93.9Very high95.3Very high5 Ų548.4 Ų48.43%0.02624%0.244CC..Hα-helixtrans-64.3-49.2177.6-17764.2000110.3Y172 P173 P184 I188 A387 W388 R393 K394 F395Y172-L391 HydrophobicContact CE2-CD2 4.42Å; Y172-L391 VanDerWaalsContact OH-CD2 3.23Å; Y172-L391 WeakPolarHBondContact OH-CD2 3.34Å; P173-L391 HydrophobicContact CG-CD1 4.27Å; P184-L391 HydrophobicContact CB-CD1 4.11Å; I188-L391 HydrophobicContact CD1-CG 4.27Å; I188-L391 HydrophobicContact CG1-CD2 3.65Å; I188-L391 HydrophobicContact CG1-CG 3.79Å; A387-L391 PolarHBondContact O-N 3.5Å; A387-L391 VanDerWaalsContact O-N 3.17Å; W388-L391 HydrophobicContact CE3-CD2 4.5Å; W388-L391 WeakPolarHBondContact O-CA 3.34Å; W388-L391 VanDerWaalsContact O-CB 3.32Å; W388-L391 WeakPolarHBondContact O-CB 3.45Å; W388-L391 PolarHBondContact O-N 3Å; L391-R393 VanDerWaalsContact C-N 3.35Å; L391-R393 PolarHBondContact O-N 3.14Å; L391-K394 WeakPolarHBondContact O-CB 3.47Å; L391-K394 PolarHBondContact O-N 2.88Å; L391-F395 PolarHBondContact O-N 2.86Å
392D95.9Very high95.4Very high3 Ų355.1 Ų55.12%0.01627%0.269CS..Hα-helixtrans-54.7-48.1176.4-86.48.7000111.9I188 W388 K394 F395 D396 R422 T425I188-D392 VanDerWaalsContact CD1-OD1 3.25Å; I188-D392 WeakPolarHBondContact CD1-OD1 3.48Å; W388-D392 WeakPolarHBondContact O-CB 3.08Å; W388-D392 PolarHBondContact O-N 2.88Å; D392-K394 VanDerWaalsContact C-N 3.33Å; D392-K394 PolarHBondContact O-N 2.96Å; D392-F395 WeakPolarHBondContact O-CB 3.3Å; D392-F395 PolarHBondContact O-N 3.18Å; D392-D396 WeakPolarHBondContact O-CB 3.39Å; D392-D396 PolarHBondContact O-N 2.94Å; D392-R422 IonicContact OD1-CZ 3.06Å; D392-R422 IonicContact OD1-NH1 2.74Å; D392-R422 IonicContact OD2-CZ 2.66Å; D392-R422 IonicContact OD2-NE 3.34Å; D392-R422 IonicContact OD2-NH1 3.49Å; D392-R422 PolarHBondContact OD2-NH1 3.27Å; D392-R422 IonicContact OD2-NH2 3.24Å; D392-R422 PolarHBondContact OD2-NH2 3.33Å; D392-T425 WeakPolarHBondContact OD1-CG2 3.44Å
393R95.8Very high95.5Very high183 Ų18355.7 Ų55.769%0.69128%0.276SS*.Hα-helixtrans-59.5-41.7175.5-178.4-178.9172.9-172.2-0.9112.7A389 L391 L397A389-R393 WeakPolarHBondContact O-CB 3.34Å; A389-R393 PolarHBondContact O-N 3.45Å; A389-R393 VanDerWaalsContact O-N 3.08Å; L391-R393 VanDerWaalsContact C-N 3.35Å; L391-R393 PolarHBondContact O-N 3.14Å; R393-L397 HydrophobicContact CG-CD1 4.37Å; R393-L397 VanDerWaalsContact O-CG 3.27Å; R393-L397 WeakPolarHBondContact O-CG 3.35Å; R393-L397 PolarHBondContact O-N 2.93Å
394K95.1Very high95.6Very high65 Ų6558.1 Ų58.128%0.28329%0.286SS..Hα-helixtrans-66-42.9178.1-74.3178.7178.6-178.10110.4A174 P175 P184 R390 L391 D392 M398A174-K394 PolarHBondContact O-NZ 2.97Å; P175-K394 PolarHBondContact O-NZ 3.36Å; P184-K394 HydrophobicContact CB-CB 4.04Å; P184-K394 HydrophobicContact CG-CB 3.78Å; P184-K394 HydrophobicContact CG-CD 4.3Å; R390-K394 WeakPolarHBondContact O-CG 3.48Å; R390-K394 PolarHBondContact O-N 3.22Å; L391-K394 WeakPolarHBondContact O-CB 3.47Å; L391-K394 PolarHBondContact O-N 2.88Å; D392-K394 VanDerWaalsContact C-N 3.33Å; D392-K394 PolarHBondContact O-N 2.96Å; K394-M398 WeakPolarHBondContact O-CG 3.26Å; K394-M398 PolarHBondContact O-N 2.94Å
395F96.5Very high95.7Very high2 Ų258.2 Ų58.21%0.00929%0.286CS..Hα-helixtrans-57.2-52.8174.5178.6-79.8000111.3P184 Y185 I188 L391 D392 L397 M398 Y399 F418 R422P184-F395 HydrophobicContact CB-CB 4.47Å; Y185-F395 AromaticContact CD1-CD2 3.36Å; Y185-F395 HydrophobicContact CD1-CD2 3.36Å; Y185-F395 AromaticContact CD1-CE2 3.47Å; Y185-F395 HydrophobicContact CD1-CE2 3.47Å; Y185-F395 VanDerWaalsContact CD1-CE2 3.47Å; Y185-F395 HydrophobicContact CD1-CG 4.19Å; Y185-F395 HydrophobicContact CD1-CZ 4.36Å; Y185-F395 AromaticContact CE1-CD2 3.8Å; Y185-F395 HydrophobicContact CE1-CD2 3.8Å; Y185-F395 AromaticContact CE1-CE2 3.83Å; Y185-F395 HydrophobicContact CE1-CE2 3.83Å; Y185-F395 HydrophobicContact CE1-CG 4.26Å; Y185-F395 HydrophobicContact CE1-CZ 4.31Å; Y185-F395 HydrophobicContact CG-CE2 4.49Å; I188-F395 HydrophobicContact CB-CD2 4.07Å; I188-F395 HydrophobicContact CB-CE2 4.34Å; I188-F395 HydrophobicContact CD1-CB 3.47Å; I188-F395 VanDerWaalsContact CD1-CB 3.47Å; I188-F395 HydrophobicContact CD1-CD1 4.36Å; I188-F395 HydrophobicContact CD1-CD2 3.52Å; I188-F395 HydrophobicContact CD1-CE2 4.33Å; I188-F395 HydrophobicContact CD1-CG 3.55Å; I188-F395 HydrophobicContact CG1-CB 4.49Å; I188-F395 HydrophobicContact CG1-CD2 4.09Å; I188-F395 HydrophobicContact CG2-CD2 4.27Å; I188-F395 HydrophobicContact CG2-CE2 4.17Å; L391-F395 PolarHBondContact O-N 2.86Å; D392-F395 WeakPolarHBondContact O-CB 3.3Å; D392-F395 PolarHBondContact O-N 3.18Å; F395-L397 VanDerWaalsContact C-N 3.3Å; F395-L397 PolarHBondContact O-N 3.38Å; F395-M398 WeakPolarHBondContact O-CB 3.27Å; F395-M398 PolarHBondContact O-N 3.31Å; F395-Y399 HydrophobicContact CE1-CD1 4.29Å; F395-Y399 HydrophobicContact CE1-CD2 4.35Å; F395-Y399 AromaticContact CE1-CG 3.89Å; F395-Y399 HydrophobicContact CE1-CG 3.89Å; F395-Y399 HydrophobicContact CZ-CD2 4.24Å; F395-Y399 HydrophobicContact CZ-CG 4.24Å; F395-Y399 WeakPolarHBondContact O-CB 3.32Å; F395-Y399 PolarHBondContact O-N 3.24Å; F395-F418 AromaticContact CE2-CD1 3.84Å; F395-F418 HydrophobicContact CE2-CD1 3.84Å; F395-F418 HydrophobicContact CZ-CB 4.07Å; F395-F418 AromaticContact CZ-CD1 3.95Å; F395-F418 HydrophobicContact CZ-CD1 3.95Å; F395-F418 HydrophobicContact CZ-CG 4.48Å; F395-F418 WeakPolarHBondContact CZ-O 3.34Å; F395-R422 HydrophobicContact CD1-CB 4.27Å; F395-R422 HydrophobicContact CD1-CG 3.95Å; F395-R422 HydrophobicContact CE1-CB 3.71Å; F395-R422 HydrophobicContact CE1-CG 3.75Å; F395-R422 HydrophobicContact CZ-CB 3.96Å; F395-R422 HydrophobicContact CZ-CG 4.48Å
396D97.7Very high95.8Very high66 Ų6663.1 Ų63.135%0.35331%0.305SS..Hα-helixtrans-59.4-41.6-175.7-68.3-22.2000111.6D392 M398 Y399 A400 R422D392-D396 WeakPolarHBondContact O-CB 3.39Å; D392-D396 PolarHBondContact O-N 2.94Å; D396-M398 VanDerWaalsContact C-N 3.3Å; D396-M398 PolarHBondContact O-N 3.5Å; D396-Y399 PolarHBondContact O-N 2.7Å; D396-A400 WeakPolarHBondContact O-CB 3.27Å; D396-A400 PolarHBondContact O-N 2.94Å; D396-R422 IonicContact OD1-CZ 2.64Å; D396-R422 IonicContact OD1-NE 3.64Å; D396-R422 PolarHBondContact OD1-NE 2.86Å; D396-R422 IonicContact OD1-NH2 3.22Å; D396-R422 IonicContact OD2-CZ 2.73Å; D396-R422 IonicContact OD2-NE 2.97Å; D396-R422 PolarHBondContact OD2-NE 3.5Å; D396-R422 IonicContact OD2-NH2 3.12Å; D396-R422 PolarHBondContact OD2-NH2 3.46Å
397L96.1Very high96Very high109 Ų10965.1 Ų65.157%0.57131%0.309SS*.Hα-helixtrans-62.3-36.2176.5-72.9172.1000112.9R393 F395R393-L397 HydrophobicContact CG-CD1 4.37Å; R393-L397 VanDerWaalsContact O-CG 3.27Å; R393-L397 WeakPolarHBondContact O-CG 3.35Å; R393-L397 PolarHBondContact O-N 2.93Å; F395-L397 VanDerWaalsContact C-N 3.3Å; F395-L397 PolarHBondContact O-N 3.38Å
398M95.9Very high96.2Very high30 Ų3065.1 Ų65.115%0.14831%0.309CS..Hα-helixtrans-76.9-46.6177.9-68.3179.361.500111.3I181 P184 Y185 K394 F395 D396 K401 R402 A403 F404I181-M398 WeakPolarHBondContact O-CE 3.43Å; P184-M398 HydrophobicContact CB-SD 4.16Å; P184-M398 HydrophobicContact CG-SD 3.79Å; Y185-M398 HydrophobicContact CD2-CE 4.46Å; Y185-M398 HydrophobicContact CE1-CB 3.94Å; Y185-M398 HydrophobicContact CE2-CE 4.24Å; Y185-M398 VanDerWaalsContact OH-C 3.23Å; Y185-M398 PolarHBondContact OH-O 3.4Å; K394-M398 WeakPolarHBondContact O-CG 3.26Å; K394-M398 PolarHBondContact O-N 2.94Å; F395-M398 WeakPolarHBondContact O-CB 3.27Å; F395-M398 PolarHBondContact O-N 3.31Å; D396-M398 VanDerWaalsContact C-N 3.3Å; D396-M398 PolarHBondContact O-N 3.5Å; M398-K401 PolarHBondContact O-N 2.9Å; M398-R402 PolarHBondContact O-N 2.94Å; M398-A403 WeakPolarHBondContact O-CB 3.31Å; M398-A403 PolarHBondContact O-N 3.15Å; M398-F404 HydrophobicContact CE-CD2 3.82Å; M398-F404 HydrophobicContact CE-CE2 4.32Å
399Y97.4Very high96.4Very high53 Ų5367.9 Ų67.921%0.20833%0.326CS..Hα-helixtrans-69.3-37.6-175-166.8-107.1000112.1Y185 F395 D396 K401 R402 V405 F418 T419Y185-Y399 HydrophobicContact CE1-CD2 4.4Å; Y185-Y399 VanDerWaalsContact OH-CA 3.26Å; Y185-Y399 WeakPolarHBondContact OH-CA 3.47Å; Y185-Y399 PolarHBondContact OH-N 3.16Å; F395-Y399 HydrophobicContact CE1-CD1 4.29Å; F395-Y399 HydrophobicContact CE1-CD2 4.35Å; F395-Y399 AromaticContact CE1-CG 3.89Å; F395-Y399 HydrophobicContact CE1-CG 3.89Å; F395-Y399 HydrophobicContact CZ-CD2 4.24Å; F395-Y399 HydrophobicContact CZ-CG 4.24Å; F395-Y399 WeakPolarHBondContact O-CB 3.32Å; F395-Y399 PolarHBondContact O-N 3.24Å; D396-Y399 PolarHBondContact O-N 2.7Å; Y399-K401 PolarHBondContact O-N 2.82Å; Y399-K401 VanDerWaalsContact O-N 3.07Å; Y399-R402 WeakPolarHBondContact O-CA 3.38Å; Y399-R402 PolarHBondContact O-N 3.01Å; Y399-V405 HydrophobicContact CD2-CG2 3.83Å; Y399-V405 HydrophobicContact CE2-CG2 3.99Å; Y399-F418 HydrophobicContact CD2-CB 4.23Å; Y399-F418 HydrophobicContact CD2-CG 4.29Å; Y399-F418 HydrophobicContact CE2-CB 3.56Å; Y399-F418 HydrophobicContact CE2-CD1 4.47Å; Y399-F418 HydrophobicContact CE2-CD2 4.04Å; Y399-F418 AromaticContact CE2-CG 3.81Å; Y399-F418 HydrophobicContact CE2-CG 3.81Å; Y399-T419 PolarHBondContact OH-OG1 2.74Å
400A97.2Very high96.5Very high88 Ų8869 Ų6973%0.72734%0.342SS*.THydrogen-bonded Turntrans-57.4-26.2173.500000113.2D396D396-A400 WeakPolarHBondContact O-CB 3.27Å; D396-A400 PolarHBondContact O-N 2.94Å
401K97Very high96.6Very high178 Ų17868 Ų6877%0.77434%0.34SS*.THydrogen-bonded Turntrans-97.11.6175.6-64.9-178.3-179.41770113.2M398 Y399 A403M398-K401 PolarHBondContact O-N 2.9Å; Y399-K401 PolarHBondContact O-N 2.82Å; Y399-K401 VanDerWaalsContact O-N 3.07Å; K401-A403 HydrophobicContact CB-CB 4.47Å; K401-A403 PolarHBondContact O-N 3.15Å; K401-A403 VanDerWaalsContact O-N 3.11Å
402R96.4Very high96.7Very high142 Ų14270.4 Ų70.454%0.53637%0.366SS..THydrogen-bonded Turntrans49.930.5-169-57.9177.164.3100.27.1112.3M398 Y399 F404 V405 E415M398-R402 PolarHBondContact O-N 2.94Å; Y399-R402 WeakPolarHBondContact O-CA 3.38Å; Y399-R402 PolarHBondContact O-N 3.01Å; R402-F404 PolarHBondContact O-N 2.89Å; R402-V405 HydrophobicContact CB-CG2 4.34Å; R402-E415 IonicContact CZ-OE1 2.81Å; R402-E415 IonicContact CZ-OE2 2.75Å; R402-E415 IonicContact NH1-OE1 3.87Å; R402-E415 PolarHBondContact NH1-OE1 2.96Å; R402-E415 IonicContact NH1-OE2 3.86Å; R402-E415 VanDerWaalsContact NH2-CD 3.27Å; R402-E415 IonicContact NH2-OE1 3.83Å; R402-E415 PolarHBondContact NH2-OE1 3.47Å; R402-E415 IonicContact NH2-OE2 3.47Å; R402-E415 PolarHBondContact NH2-OE2 3.24Å
403A96.9Very high96.8Very high29 Ų2970.4 Ų70.424%0.2437%0.366CS..THydrogen-bonded Turntrans-64.9128.3-177.900000108.7Y185 M398 K401 V405Y185-A403 WeakPolarHBondContact CE2-O 3.49Å; Y185-A403 PolarHBondContact OH-O 3.4Å; M398-A403 WeakPolarHBondContact O-CB 3.31Å; M398-A403 PolarHBondContact O-N 3.15Å; K401-A403 HydrophobicContact CB-CB 4.47Å; K401-A403 PolarHBondContact O-N 3.15Å; K401-A403 VanDerWaalsContact O-N 3.11Å; A403-V405 PolarHBondContact O-N 3.38Å
404F96.6Very high96.9Very high55 Ų5568.6 Ų68.624%0.24137%0.365CS..THydrogen-bonded Turntrans59.7-1.8179-47.9-76.1000117.2I181 V182 Y185 M398 R402 H406 W407I181-F404 HydrophobicContact CG2-CD2 4.26Å; I181-F404 HydrophobicContact CG2-CE2 3.43Å; I181-F404 VanDerWaalsContact CG2-CE2 3.43Å; I181-F404 HydrophobicContact CG2-CZ 3.7Å; V182-F404 HydrophobicContact CG1-CB 3.72Å; V182-F404 HydrophobicContact CG1-CD1 4.29Å; V182-F404 HydrophobicContact CG1-CD2 3.95Å; V182-F404 HydrophobicContact CG1-CG 3.72Å; Y185-F404 HydrophobicContact CE2-CB 4.39Å; M398-F404 HydrophobicContact CE-CD2 3.82Å; M398-F404 HydrophobicContact CE-CE2 4.32Å; R402-F404 PolarHBondContact O-N 2.89Å; F404-H406 PolarHBondContact O-N 2.82Å; F404-H406 VanDerWaalsContact O-N 3.17Å; F404-W407 HydrophobicContact CB-CD2 4.29Å; F404-W407 HydrophobicContact CB-CE3 4.29Å; F404-W407 AromaticContact CD1-CD2 3.81Å; F404-W407 HydrophobicContact CD1-CD2 3.81Å; F404-W407 AromaticContact CD1-CE2 3.74Å; F404-W407 AromaticContact CD1-CE3 3.7Å; F404-W407 HydrophobicContact CD1-CE3 3.7Å; F404-W407 AromaticContact CD1-CH2 3.52Å; F404-W407 HydrophobicContact CD1-CH2 3.52Å; F404-W407 AromaticContact CD1-CZ2 3.62Å; F404-W407 HydrophobicContact CD1-CZ2 3.62Å; F404-W407 AromaticContact CD1-CZ3 3.56Å; F404-W407 HydrophobicContact CD1-CZ3 3.56Å; F404-W407 AromaticContact CE1-CH2 3.56Å; F404-W407 HydrophobicContact CE1-CH2 3.56Å; F404-W407 AromaticContact CE1-CZ2 3.82Å; F404-W407 HydrophobicContact CE1-CZ2 3.82Å; F404-W407 AromaticContact CE1-CZ3 3.95Å; F404-W407 HydrophobicContact CE1-CZ3 3.95Å; F404-W407 HydrophobicContact CG-CE3 4.37Å; F404-W407 HydrophobicContact CG-CZ3 4.48Å; F404-W407 VanDerWaalsContact O-CB 3.27Å; F404-W407 WeakPolarHBondContact O-CB 3.39Å; F404-W407 PolarHBondContact O-N 2.82Å
405V97Very high96.9Very high2 Ų268.6 Ų68.61%0.01237%0.366CS..Hα-helixtrans-53.5-41.5-179.9173.30000111.8Y185 Y399 R402 A403 W407 Y408 V409 E415 F418Y185-V405 HydrophobicContact CE2-CG2 4.25Å; Y399-V405 HydrophobicContact CD2-CG2 3.83Å; Y399-V405 HydrophobicContact CE2-CG2 3.99Å; R402-V405 HydrophobicContact CB-CG2 4.34Å; A403-V405 PolarHBondContact O-N 3.38Å; V405-W407 PolarHBondContact O-N 2.93Å; V405-W407 VanDerWaalsContact O-N 3.17Å; V405-Y408 PolarHBondContact O-N 3.17Å; V405-V409 HydrophobicContact CG1-CG2 4.14Å; V405-V409 PolarHBondContact O-N 3.12Å; V405-V409 VanDerWaalsContact O-N 3.12Å; V405-E415 HydrophobicContact CG1-CG 4.14Å; V405-F418 HydrophobicContact CB-CE2 4.45Å; V405-F418 HydrophobicContact CG1-CD2 4.3Å; V405-F418 HydrophobicContact CG1-CE2 3.89Å
406H97Very high96.9Very high128 Ų12870.2 Ų70.259%0.59338%0.383SS*.Hα-helixtrans-62.5-20.2177.767.2-75.1000114.4F404 Y408 G410F404-H406 PolarHBondContact O-N 2.82Å; F404-H406 VanDerWaalsContact O-N 3.17Å; H406-Y408 VanDerWaalsContact C-N 3.33Å; H406-G410 PolarHBondContact O-N 3.01Å
407W97Very high96.9Very high122 Ų12268.4 Ų68.446%0.46237%0.372SS..Hα-helixtrans-72.2-29.3173.5-64.40.6000111.9N102 V182 F404 V405 E411N102-W407 PolarHBondContact ND2-O 2.93Å; V182-W407 HydrophobicContact CG1-CE3 4.43Å; F404-W407 HydrophobicContact CB-CD2 4.29Å; F404-W407 HydrophobicContact CB-CE3 4.29Å; F404-W407 AromaticContact CD1-CD2 3.81Å; F404-W407 HydrophobicContact CD1-CD2 3.81Å; F404-W407 AromaticContact CD1-CE2 3.74Å; F404-W407 AromaticContact CD1-CE3 3.7Å; F404-W407 HydrophobicContact CD1-CE3 3.7Å; F404-W407 AromaticContact CD1-CH2 3.52Å; F404-W407 HydrophobicContact CD1-CH2 3.52Å; F404-W407 AromaticContact CD1-CZ2 3.62Å; F404-W407 HydrophobicContact CD1-CZ2 3.62Å; F404-W407 AromaticContact CD1-CZ3 3.56Å; F404-W407 HydrophobicContact CD1-CZ3 3.56Å; F404-W407 AromaticContact CE1-CH2 3.56Å; F404-W407 HydrophobicContact CE1-CH2 3.56Å; F404-W407 AromaticContact CE1-CZ2 3.82Å; F404-W407 HydrophobicContact CE1-CZ2 3.82Å; F404-W407 AromaticContact CE1-CZ3 3.95Å; F404-W407 HydrophobicContact CE1-CZ3 3.95Å; F404-W407 HydrophobicContact CG-CE3 4.37Å; F404-W407 HydrophobicContact CG-CZ3 4.48Å; F404-W407 VanDerWaalsContact O-CB 3.27Å; F404-W407 WeakPolarHBondContact O-CB 3.39Å; F404-W407 PolarHBondContact O-N 2.82Å; V405-W407 PolarHBondContact O-N 2.93Å; V405-W407 VanDerWaalsContact O-N 3.17Å; W407-E411 WeakPolarHBondContact O-CG 3.38Å
408Y98.4Very high97Very high0 Ų063.2 Ų63.20%035%0.345CS..Hα-helixtrans-85.3-46.9179.8-69.4-114.2000110.1A104 V182 Y185 N186 L189 V405 H406 G410 E411 M413 F418A104-Y408 HydrophobicContact CB-CD1 3.93Å; A104-Y408 HydrophobicContact CB-CG 4.27Å; V182-Y408 HydrophobicContact CB-CE2 4.3Å; V182-Y408 VanDerWaalsContact CB-OH 3.27Å; V182-Y408 WeakPolarHBondContact CB-OH 3.21Å; V182-Y408 HydrophobicContact CG1-CE2 4.38Å; V182-Y408 WeakPolarHBondContact CG2-OH 3.5Å; V182-Y408 PolarHBondContact O-OH 3.47Å; Y185-Y408 WeakPolarHBondContact CB-OH 3.25Å; Y185-Y408 HydrophobicContact CD2-CD2 4.29Å; Y185-Y408 AromaticContact CD2-CE2 3.71Å; Y185-Y408 HydrophobicContact CD2-CE2 3.71Å; Y185-Y408 AromaticContact CD2-CZ 3.96Å; N186-Y408 PolarHBondContact OD1-OH 3.37Å; L189-Y408 HydrophobicContact CD1-CD1 3.8Å; L189-Y408 HydrophobicContact CD1-CE1 3.7Å; V405-Y408 PolarHBondContact O-N 3.17Å; H406-Y408 VanDerWaalsContact C-N 3.33Å; Y408-G410 PolarHBondContact O-N 3.39Å; Y408-E411 PolarHBondContact O-N 3.49Å; Y408-M413 HydrophobicContact CD1-CE 4.09Å; Y408-M413 HydrophobicContact CD1-SD 3.95Å; Y408-M413 HydrophobicContact CG-CE 4.37Å; Y408-M413 WeakPolarHBondContact O-CB 3.4Å; Y408-M413 PolarHBondContact O-N 3.13Å; Y408-F418 HydrophobicContact CD1-CE1 4.24Å; Y408-F418 AromaticContact CD1-CZ 3.76Å; Y408-F418 HydrophobicContact CD1-CZ 3.76Å; Y408-F418 AromaticContact CD2-CZ 3.85Å; Y408-F418 HydrophobicContact CD2-CZ 3.85Å; Y408-F418 HydrophobicContact CE1-CZ 4.39Å; Y408-F418 HydrophobicContact CG-CE1 4.34Å; Y408-F418 HydrophobicContact CG-CE2 4.23Å; Y408-F418 AromaticContact CG-CZ 3.47Å; Y408-F418 HydrophobicContact CG-CZ 3.47Å; Y408-F418 VanDerWaalsContact CG-CZ 3.47Å
409V97.6Very high97.1Very high59 Ų5964.6 Ų64.636%0.35836%0.355SS..Hα-helixtrans-62.3-34.8176.5179.50000111.7V405 E411 G412 M413 E415V405-V409 HydrophobicContact CG1-CG2 4.14Å; V405-V409 PolarHBondContact O-N 3.12Å; V405-V409 VanDerWaalsContact O-N 3.12Å; V409-E411 PolarHBondContact O-N 3.41Å; V409-G412 PolarHBondContact O-N 3.24Å; V409-M413 WeakPolarHBondContact CA-O 3.45Å; V409-E415 HydrophobicContact CG2-CB 4.1Å
410G96.9Very high97.1Very high67 Ų6767.4 Ų67.469%0.69137%0.37SS*.THydrogen-bonded Turntrans-62.5-22.4174.700000114.5H406 Y408 G412H406-G410 PolarHBondContact O-N 3.01Å; Y408-G410 PolarHBondContact O-N 3.39Å; G410-G412 VanDerWaalsContact C-N 3.33Å
411E96.9Very high97.1Very high43 Ų4363.2 Ų63.220%0.20134%0.336CS..THydrogen-bonded Turntrans-92.25.7175.3-61.5-73.1166.300111.9A104 R105 Y108 T109 W407 Y408 V409A104-E411 HydrophobicContact CB-CB 3.84Å; A104-E411 HydrophobicContact CB-CG 4.49Å; R105-E411 HydrophobicContact CB-CG 4.05Å; R105-E411 IonicContact NH1-OE1 3.44Å; R105-E411 PolarHBondContact NH1-OE1 3.39Å; Y108-E411 WeakPolarHBondContact CB-O 3.39Å; T109-E411 WeakPolarHBondContact CB-OE2 3.18Å; T109-E411 HydrophobicContact CG2-CB 4.11Å; T109-E411 WeakPolarHBondContact CG2-O 3.38Å; T109-E411 WeakPolarHBondContact CG2-OE2 3.44Å; T109-E411 PolarHBondContact OG1-OE2 3.09Å; W407-E411 WeakPolarHBondContact O-CG 3.38Å; Y408-E411 PolarHBondContact O-N 3.49Å; V409-E411 PolarHBondContact O-N 3.41Å
412G95.5Very high97.2Very high55 Ų5557 Ų5757%0.56731%0.307SS*.THydrogen-bonded Turntrans93.56.3175.100000115.6V409 G410V409-G412 PolarHBondContact O-N 3.24Å; G410-G412 VanDerWaalsContact C-N 3.33Å
413M97.8Very high97.2Very high3 Ų356.4 Ų56.42%0.01531%0.311CS..  trans-72.4140.4171.2-168.5179.5103.400110.7Y103 A104 Y108 L189 Y408 V409 E417 F418Y103-M413 HydrophobicContact CD1-SD 4.35Å; A104-M413 HydrophobicContact CB-CB 3.9Å; A104-M413 HydrophobicContact CB-SD 4.06Å; Y108-M413 HydrophobicContact CD2-CB 3.82Å; Y108-M413 HydrophobicContact CD2-CG 4.14Å; Y108-M413 HydrophobicContact CE2-CB 3.72Å; Y108-M413 HydrophobicContact CE2-CG 3.51Å; Y108-M413 HydrophobicContact CE2-SD 4.14Å; L189-M413 HydrophobicContact CD1-CE 3.98Å; L189-M413 HydrophobicContact CD1-SD 3.88Å; L189-M413 HydrophobicContact CD2-CE 4.09Å; L189-M413 HydrophobicContact CD2-SD 4.22Å; Y408-M413 HydrophobicContact CD1-CE 4.09Å; Y408-M413 HydrophobicContact CD1-SD 3.95Å; Y408-M413 HydrophobicContact CG-CE 4.37Å; Y408-M413 WeakPolarHBondContact O-CB 3.4Å; Y408-M413 PolarHBondContact O-N 3.13Å; V409-M413 WeakPolarHBondContact CA-O 3.45Å; M413-E417 HydrophobicContact CE-CB 4.39Å; M413-E417 HydrophobicContact CG-CB 4.39Å; M413-E417 VanDerWaalsContact CG-CD 3.47Å; M413-E417 HydrophobicContact CG-CG 4.46Å; M413-E417 VanDerWaalsContact CG-OE1 3.29Å; M413-E417 WeakPolarHBondContact CG-OE1 3.42Å; M413-E417 WeakPolarHBondContact CG-OE2 3.37Å; M413-F418 HydrophobicContact CE-CD1 4.08Å; M413-F418 HydrophobicContact CE-CD2 3.37Å; M413-F418 HydrophobicContact CE-CE1 3.88Å; M413-F418 HydrophobicContact CE-CE2 3.13Å; M413-F418 HydrophobicContact CE-CG 3.87Å; M413-F418 HydrophobicContact CE-CZ 3.42Å; M413-F418 VanDerWaalsContact CE-CZ 3.42Å
414E97.3Very high97.2Very high145 Ų14557.2 Ų57.268%0.67831%0.311SS*.  trans-77.5140.1176-62.3-171177.500110.8G416 E417E414-G416 PolarHBondContact O-N 2.93Å; E414-E417 HydrophobicContact CB-CG 4.22Å; E414-E417 PolarHBondContact N-OE1 3.32Å; E414-E417 WeakPolarHBondContact O-CB 3.47Å; E414-E417 PolarHBondContact O-N 3.44Å
415E95.6Very high97.2Very high65 Ų6554.6 Ų54.630%0.30430%0.3SS..Hα-helixtrans-64-25.3-179.2-171.3173.5158.400112.3R402 V405 V409 E417 F418R402-E415 IonicContact CZ-OE1 2.81Å; R402-E415 IonicContact CZ-OE2 2.75Å; R402-E415 IonicContact NH1-OE1 3.87Å; R402-E415 PolarHBondContact NH1-OE1 2.96Å; R402-E415 IonicContact NH1-OE2 3.86Å; R402-E415 VanDerWaalsContact NH2-CD 3.27Å; R402-E415 IonicContact NH2-OE1 3.83Å; R402-E415 PolarHBondContact NH2-OE1 3.47Å; R402-E415 IonicContact NH2-OE2 3.47Å; R402-E415 PolarHBondContact NH2-OE2 3.24Å; V405-E415 HydrophobicContact CG1-CG 4.14Å; V409-E415 HydrophobicContact CG2-CB 4.1Å; E415-E417 VanDerWaalsContact C-N 3.3Å; E415-E417 PolarHBondContact O-N 3.21Å; E415-F418 PolarHBondContact O-N 3.01Å
416G96.8Very high97.1Very high35 Ų3556.4 Ų56.436%0.36132%0.315SS..Hα-helixtrans-63-32.9176.900000113.5E414 F418 T419 E420E414-G416 PolarHBondContact O-N 2.93Å; G416-F418 PolarHBondContact O-N 3.02Å; G416-T419 WeakPolarHBondContact O-CB 3.37Å; G416-T419 PolarHBondContact O-N 3.45Å; G416-E420 PolarHBondContact O-N 3.31Å
417E98Very high97.1Very high29 Ų2952.1 Ų52.114%0.13630%0.301CS..Hα-helixtrans-60.2-31.3-179.3-63.3177.3-126.200112.5Y108 M413 E414 E415 T419 A421Y108-E417 PolarHBondContact OH-OE1 2.83Å; Y108-E417 PolarHBondContact OH-OE2 2.76Å; M413-E417 HydrophobicContact CE-CB 4.39Å; M413-E417 HydrophobicContact CG-CB 4.39Å; M413-E417 VanDerWaalsContact CG-CD 3.47Å; M413-E417 HydrophobicContact CG-CG 4.46Å; M413-E417 VanDerWaalsContact CG-OE1 3.29Å; M413-E417 WeakPolarHBondContact CG-OE1 3.42Å; M413-E417 WeakPolarHBondContact CG-OE2 3.37Å; E414-E417 HydrophobicContact CB-CG 4.22Å; E414-E417 PolarHBondContact N-OE1 3.32Å; E414-E417 WeakPolarHBondContact O-CB 3.47Å; E414-E417 PolarHBondContact O-N 3.44Å; E415-E417 VanDerWaalsContact C-N 3.3Å; E415-E417 PolarHBondContact O-N 3.21Å; E417-T419 VanDerWaalsContact C-N 3.29Å; E417-T419 PolarHBondContact O-N 3.27Å; E417-A421 WeakPolarHBondContact O-CB 3.37Å; E417-A421 PolarHBondContact O-N 2.88Å
418F98.1Very high97Very high0 Ų046.4 Ų46.40%028%0.28CS..Hα-helixtrans-60.5-41172.9-81.1-68.3000112.3Y185 L189 F395 Y399 V405 Y408 M413 E415 G416 R422Y185-F418 HydrophobicContact CD1-CD1 4.32Å; Y185-F418 AromaticContact CD1-CE1 3.95Å; Y185-F418 HydrophobicContact CD1-CE1 3.95Å; Y185-F418 AromaticContact CD2-CE1 3.7Å; Y185-F418 HydrophobicContact CD2-CE1 3.7Å; Y185-F418 HydrophobicContact CD2-CZ 4.07Å; Y185-F418 HydrophobicContact CE1-CE1 4.34Å; Y185-F418 HydrophobicContact CE2-CE1 4.11Å; Y185-F418 HydrophobicContact CE2-CZ 4.3Å; Y185-F418 HydrophobicContact CG-CD1 4.4Å; Y185-F418 AromaticContact CG-CE1 3.61Å; Y185-F418 HydrophobicContact CG-CE1 3.61Å; Y185-F418 HydrophobicContact CG-CZ 4.41Å; L189-F418 HydrophobicContact CD1-CD1 4.44Å; L189-F418 HydrophobicContact CD1-CE1 4.04Å; F395-F418 AromaticContact CE2-CD1 3.84Å; F395-F418 HydrophobicContact CE2-CD1 3.84Å; F395-F418 HydrophobicContact CZ-CB 4.07Å; F395-F418 AromaticContact CZ-CD1 3.95Å; F395-F418 HydrophobicContact CZ-CD1 3.95Å; F395-F418 HydrophobicContact CZ-CG 4.48Å; F395-F418 WeakPolarHBondContact CZ-O 3.34Å; Y399-F418 HydrophobicContact CD2-CB 4.23Å; Y399-F418 HydrophobicContact CD2-CG 4.29Å; Y399-F418 HydrophobicContact CE2-CB 3.56Å; Y399-F418 HydrophobicContact CE2-CD1 4.47Å; Y399-F418 HydrophobicContact CE2-CD2 4.04Å; Y399-F418 AromaticContact CE2-CG 3.81Å; Y399-F418 HydrophobicContact CE2-CG 3.81Å; V405-F418 HydrophobicContact CB-CE2 4.45Å; V405-F418 HydrophobicContact CG1-CD2 4.3Å; V405-F418 HydrophobicContact CG1-CE2 3.89Å; Y408-F418 HydrophobicContact CD1-CE1 4.24Å; Y408-F418 AromaticContact CD1-CZ 3.76Å; Y408-F418 HydrophobicContact CD1-CZ 3.76Å; Y408-F418 AromaticContact CD2-CZ 3.85Å; Y408-F418 HydrophobicContact CD2-CZ 3.85Å; Y408-F418 HydrophobicContact CE1-CZ 4.39Å; Y408-F418 HydrophobicContact CG-CE1 4.34Å; Y408-F418 HydrophobicContact CG-CE2 4.23Å; Y408-F418 AromaticContact CG-CZ 3.47Å; Y408-F418 HydrophobicContact CG-CZ 3.47Å; Y408-F418 VanDerWaalsContact CG-CZ 3.47Å; M413-F418 HydrophobicContact CE-CD1 4.08Å; M413-F418 HydrophobicContact CE-CD2 3.37Å; M413-F418 HydrophobicContact CE-CE1 3.88Å; M413-F418 HydrophobicContact CE-CE2 3.13Å; M413-F418 HydrophobicContact CE-CG 3.87Å; M413-F418 HydrophobicContact CE-CZ 3.42Å; M413-F418 VanDerWaalsContact CE-CZ 3.42Å; E415-F418 PolarHBondContact O-N 3.01Å; G416-F418 PolarHBondContact O-N 3.02Å; F418-R422 WeakPolarHBondContact O-CB 2.92Å; F418-R422 PolarHBondContact O-N 3.32Å
419T97.3Very high96.9Very high58 Ų5848.6 Ų48.636%0.35629%0.29SS..Hα-helixtrans-74.8-44.4-177.2-53.50000109.8Y399 G416 E417 A421 R422 E423Y399-T419 PolarHBondContact OH-OG1 2.74Å; G416-T419 WeakPolarHBondContact O-CB 3.37Å; G416-T419 PolarHBondContact O-N 3.45Å; E417-T419 VanDerWaalsContact C-N 3.29Å; E417-T419 PolarHBondContact O-N 3.27Å; T419-A421 PolarHBondContact O-N 2.91Å; T419-R422 PolarHBondContact O-N 3.47Å; T419-E423 WeakPolarHBondContact O-CG 3.36Å; T419-E423 PolarHBondContact O-N 2.63Å
420E97.9Very high96.8Very high113 Ų11352.7 Ų52.753%0.52830%0.303SS..Hα-helixtrans-58.9-49.3176.6-67.1175-166.200111.4G416 R422 E423 D424G416-E420 PolarHBondContact O-N 3.31Å; E420-R422 VanDerWaalsContact C-N 3.28Å; E420-R422 PolarHBondContact O-N 3.13Å; E420-E423 PolarHBondContact O-N 3.25Å; E420-D424 PolarHBondContact O-N 3.19Å
421A97.8Very high96.7Very high0 Ų051.6 Ų51.60%028%0.281CS..Hα-helixtrans-62.7-35.917900000112.9I188 L189 H192 E417 T419 T425I188-A421 HydrophobicContact CG2-CB 3.72Å; I188-A421 WeakPolarHBondContact CG2-O 3.36Å; L189-A421 HydrophobicContact CD2-CB 3.98Å; H192-A421 HydrophobicContact CB-CB 3.45Å; H192-A421 VanDerWaalsContact CB-CB 3.45Å; E417-A421 WeakPolarHBondContact O-CB 3.37Å; E417-A421 PolarHBondContact O-N 2.88Å; T419-A421 PolarHBondContact O-N 2.91Å; A421-T425 PolarHBondContact O-N 3.4Å; A421-T425 VanDerWaalsContact O-N 3.14Å; A421-T425 PolarHBondContact O-OG1 3.33Å
422R97.7Very high96.6Very high48 Ų4849.6 Ų49.618%0.18127%0.272CS..Hα-helixtrans-69.8-40.7176.7175.960.4-173.493.9-6.5112.2D392 F395 D396 F418 T419 E420 D424 T425 A426D392-R422 IonicContact OD1-CZ 3.06Å; D392-R422 IonicContact OD1-NH1 2.74Å; D392-R422 IonicContact OD2-CZ 2.66Å; D392-R422 IonicContact OD2-NE 3.34Å; D392-R422 IonicContact OD2-NH1 3.49Å; D392-R422 PolarHBondContact OD2-NH1 3.27Å; D392-R422 IonicContact OD2-NH2 3.24Å; D392-R422 PolarHBondContact OD2-NH2 3.33Å; F395-R422 HydrophobicContact CD1-CB 4.27Å; F395-R422 HydrophobicContact CD1-CG 3.95Å; F395-R422 HydrophobicContact CE1-CB 3.71Å; F395-R422 HydrophobicContact CE1-CG 3.75Å; F395-R422 HydrophobicContact CZ-CB 3.96Å; F395-R422 HydrophobicContact CZ-CG 4.48Å; D396-R422 IonicContact OD1-CZ 2.64Å; D396-R422 IonicContact OD1-NE 3.64Å; D396-R422 PolarHBondContact OD1-NE 2.86Å; D396-R422 IonicContact OD1-NH2 3.22Å; D396-R422 IonicContact OD2-CZ 2.73Å; D396-R422 IonicContact OD2-NE 2.97Å; D396-R422 PolarHBondContact OD2-NE 3.5Å; D396-R422 IonicContact OD2-NH2 3.12Å; D396-R422 PolarHBondContact OD2-NH2 3.46Å; F418-R422 WeakPolarHBondContact O-CB 2.92Å; F418-R422 PolarHBondContact O-N 3.32Å; T419-R422 PolarHBondContact O-N 3.47Å; E420-R422 VanDerWaalsContact C-N 3.28Å; E420-R422 PolarHBondContact O-N 3.13Å; R422-D424 VanDerWaalsContact C-N 3.34Å; R422-T425 PolarHBondContact O-N 2.92Å; R422-A426 PolarHBondContact O-N 3.24Å; R422-A426 VanDerWaalsContact O-N 3.14Å
423E97.6Very high96.5Very high129 Ų12949.7 Ų49.760%0.60327%0.268SS*.Hα-helixtrans-64.6-39.9174.8-74.8178.2-178.500111.2T419 E420 T425 A426 A427T419-E423 WeakPolarHBondContact O-CG 3.36Å; T419-E423 PolarHBondContact O-N 2.63Å; E420-E423 PolarHBondContact O-N 3.25Å; E423-T425 VanDerWaalsContact C-N 3.35Å; E423-T425 PolarHBondContact O-N 3.03Å; E423-A426 WeakPolarHBondContact O-CB 3.44Å; E423-A426 PolarHBondContact O-N 3.11Å; E423-A427 PolarHBondContact O-N 2.85Å
424D96.6Very high96.2Very high45 Ų4555.3 Ų55.324%0.24129%0.294CS..Hα-helixtrans-64.1-39176.8-108-33.9000113H192 R264 E420 R422 A427 L428H192-D424 IonicContact CE1-OD2 2.74Å; H192-D424 PolarHBondContact CE1-OD2 3.02Å; H192-D424 IonicContact CG-OD2 3.72Å; H192-D424 IonicContact ND1-OD2 2.62Å; H192-D424 PolarHBondContact ND1-OD2 2.95Å; R264-D424 IonicContact CZ-OD1 3.89Å; R264-D424 IonicContact NH1-OD1 3.57Å; R264-D424 PolarHBondContact NH1-OD1 3.17Å; R264-D424 PolarHBondContact NH2-O 3.32Å; R264-D424 IonicContact NH2-OD1 2.77Å; R264-D424 PolarHBondContact NH2-OD1 3.43Å; E420-D424 PolarHBondContact O-N 3.19Å; R422-D424 VanDerWaalsContact C-N 3.34Å; D424-A427 PolarHBondContact O-N 3.29Å; D424-L428 WeakPolarHBondContact O-CB 3.39Å; D424-L428 PolarHBondContact O-N 3.21Å
425T95.8Very high96Very high1 Ų149.1 Ų49.11%0.00627%0.266CS..Hα-helixtrans-68.5-38176.6-51.50000111.1W388 D392 A421 R422 E423 A427 L428 E429W388-T425 HydrophobicContact CB-CG2 4.32Å; W388-T425 HydrophobicContact CE3-CG2 4.24Å; D392-T425 WeakPolarHBondContact OD1-CG2 3.44Å; A421-T425 PolarHBondContact O-N 3.4Å; A421-T425 VanDerWaalsContact O-N 3.14Å; A421-T425 PolarHBondContact O-OG1 3.33Å; R422-T425 PolarHBondContact O-N 2.92Å; E423-T425 VanDerWaalsContact C-N 3.35Å; E423-T425 PolarHBondContact O-N 3.03Å; T425-A427 PolarHBondContact O-N 3.12Å; T425-L428 WeakPolarHBondContact O-CB 3.45Å; T425-L428 PolarHBondContact O-N 2.87Å; T425-E429 PolarHBondContact O-N 3.34Å
426A96.1Very high95.6Very high40 Ų4046.7 Ų46.733%0.33126%0.258SS..Hα-helixtrans-63.3-40.4171.300000112.6R422 E423 L428 E429 K430R422-A426 PolarHBondContact O-N 3.24Å; R422-A426 VanDerWaalsContact O-N 3.14Å; E423-A426 WeakPolarHBondContact O-CB 3.44Å; E423-A426 PolarHBondContact O-N 3.11Å; A426-L428 VanDerWaalsContact C-N 3.32Å; A426-E429 PolarHBondContact O-N 3.11Å; A426-K430 PolarHBondContact O-N 3.35Å; A426-K430 VanDerWaalsContact O-N 3.1Å
427A96.4Very high95.2Very high38 Ų3848.1 Ų48.131%0.31426%0.262SS..Hα-helixtrans-63-41.4174.600000110.9E423 D424 T425 E429 K430 D431E423-A427 PolarHBondContact O-N 2.85Å; D424-A427 PolarHBondContact O-N 3.29Å; T425-A427 PolarHBondContact O-N 3.12Å; A427-E429 PolarHBondContact O-N 3.08Å; A427-K430 WeakPolarHBondContact O-CB 3.38Å; A427-K430 PolarHBondContact O-N 3.15Å; A427-K430 VanDerWaalsContact O-N 3.14Å; A427-D431 PolarHBondContact O-N 2.97Å
428L95.7Very high94Very high1 Ų149.8 Ų49.81%0.00527%0.272CS..Hα-helixtrans-60.8-41.6174.8-179.163000112.3T191 L195 R264 F267 W388 D424 T425 A426 K430 D431 Y432T191-L428 HydrophobicContact CG2-CD2 4.26Å; L195-L428 HydrophobicContact CD1-CD2 4.44Å; R264-L428 HydrophobicContact CB-CD1 4.19Å; R264-L428 WeakPolarHBondContact O-CD1 3.09Å; F267-L428 HydrophobicContact CD2-CD2 4.36Å; F267-L428 HydrophobicContact CE2-CD1 4.45Å; F267-L428 HydrophobicContact CE2-CD2 3.78Å; F267-L428 HydrophobicContact CZ-CD2 4.45Å; W388-L428 HydrophobicContact CD2-CD2 4.33Å; W388-L428 HydrophobicContact CZ2-CD2 4.29Å; D424-L428 WeakPolarHBondContact O-CB 3.39Å; D424-L428 PolarHBondContact O-N 3.21Å; T425-L428 WeakPolarHBondContact O-CB 3.45Å; T425-L428 PolarHBondContact O-N 2.87Å; A426-L428 VanDerWaalsContact C-N 3.32Å; L428-K430 VanDerWaalsContact C-N 3.29Å; L428-K430 PolarHBondContact O-N 3.42Å; L428-D431 WeakPolarHBondContact O-CB 3.4Å; L428-D431 PolarHBondContact O-N 2.81Å; L428-Y432 HydrophobicContact CD1-CD2 4.08Å; L428-Y432 HydrophobicContact CD1-CE2 3.68Å; L428-Y432 HydrophobicContact CD2-CE2 4.44Å; L428-Y432 HydrophobicContact CG-CD2 4.11Å; L428-Y432 HydrophobicContact CG-CE2 3.89Å; L428-Y432 VanDerWaalsContact O-CD2 3.27Å; L428-Y432 WeakPolarHBondContact O-CD2 3.45Å; L428-Y432 PolarHBondContact O-N 2.69Å; L428-Y432 VanDerWaalsContact O-N 3.07Å
429E95.1Very high92.5Very high47 Ų4752.7 Ų52.722%0.2229%0.29CS..Hα-helixtrans-58.5-43173.1-75.6-178.3-157.200112.1W388 A389 T425 A426 A427 Y432 A433W388-E429 HydrophobicContact CB-CG 3.56Å; W388-E429 WeakPolarHBondContact CB-OE1 3.41Å; W388-E429 HydrophobicContact CG-CG 4.44Å; A389-E429 WeakPolarHBondContact CA-OE1 3.28Å; A389-E429 PolarHBondContact N-OE1 3.24Å; T425-E429 PolarHBondContact O-N 3.34Å; A426-E429 PolarHBondContact O-N 3.11Å; A427-E429 PolarHBondContact O-N 3.08Å; E429-Y432 PolarHBondContact O-N 3.44Å; E429-A433 PolarHBondContact O-N 2.89Å
430K95.1Very high90.5Very high144 Ų14455.2 Ų55.263%0.62630%0.3SS*.Hα-helixtrans-64.5-41.6176.4-170.2-174.4174-167.40111.6A426 A427 L428 Y432 A433 E434A426-K430 PolarHBondContact O-N 3.35Å; A426-K430 VanDerWaalsContact O-N 3.1Å; A427-K430 WeakPolarHBondContact O-CB 3.38Å; A427-K430 PolarHBondContact O-N 3.15Å; A427-K430 VanDerWaalsContact O-N 3.14Å; L428-K430 VanDerWaalsContact C-N 3.29Å; L428-K430 PolarHBondContact O-N 3.42Å; K430-Y432 VanDerWaalsContact C-N 3.3Å; K430-Y432 PolarHBondContact O-N 3.46Å; K430-A433 WeakPolarHBondContact O-CB 3.39Å; K430-A433 PolarHBondContact O-N 3.43Å; K430-A433 VanDerWaalsContact O-N 3.1Å; K430-E434 WeakPolarHBondContact O-CB 3.17Å; K430-E434 PolarHBondContact O-N 3.16Å
431D95.3Very high88.3Confident45 Ų4555.1 Ų55.124%0.24130%0.301CS..Hα-helixtrans-57-44.9175.9-63.7-23.8000110.5R264 I265 A427 L428 V435R264-D431 WeakPolarHBondContact CD-OD2 3.29Å; R264-D431 IonicContact NE-OD2 2.8Å; R264-D431 PolarHBondContact NE-OD2 3.07Å; I265-D431 HydrophobicContact CD1-CB 4.09Å; I265-D431 HydrophobicContact CG1-CB 4.24Å; A427-D431 PolarHBondContact O-N 2.97Å; L428-D431 WeakPolarHBondContact O-CB 3.4Å; L428-D431 PolarHBondContact O-N 2.81Å; D431-V435 WeakPolarHBondContact O-CB 3.49Å; D431-V435 VanDerWaalsContact O-CG2 3.26Å; D431-V435 WeakPolarHBondContact O-CG2 3.33Å; D431-V435 PolarHBondContact O-N 2.97Å; D431-V435 VanDerWaalsContact O-N 3.12Å
432Y95.2Very high86.1Confident0 Ų059.4 Ų59.40%032%0.323CS..Hα-helixtrans-66.4-35.9175.5-82.6-72.8000113.5I265 M313 T382 I384 W388 L428 E429 K430 G436I265-Y432 HydrophobicContact CB-CE1 4.29Å; I265-Y432 HydrophobicContact CG1-CE1 4.45Å; I265-Y432 HydrophobicContact CG2-CD1 3.93Å; I265-Y432 HydrophobicContact CG2-CE1 3.26Å; M313-Y432 HydrophobicContact CE-CD1 3.9Å; M313-Y432 HydrophobicContact CE-CE1 3.71Å; T382-Y432 VanDerWaalsContact CG2-O 3.29Å; T382-Y432 WeakPolarHBondContact CG2-O 3.47Å; I384-Y432 HydrophobicContact CG2-CD1 3.77Å; I384-Y432 HydrophobicContact CG2-CD2 4.06Å; I384-Y432 HydrophobicContact CG2-CE1 3.29Å; I384-Y432 HydrophobicContact CG2-CE2 3.68Å; I384-Y432 HydrophobicContact CG2-CG 4.12Å; W388-Y432 AromaticContact NE1-CE2 3.62Å; L428-Y432 HydrophobicContact CD1-CD2 4.08Å; L428-Y432 HydrophobicContact CD1-CE2 3.68Å; L428-Y432 HydrophobicContact CD2-CE2 4.44Å; L428-Y432 HydrophobicContact CG-CD2 4.11Å; L428-Y432 HydrophobicContact CG-CE2 3.89Å; L428-Y432 VanDerWaalsContact O-CD2 3.27Å; L428-Y432 WeakPolarHBondContact O-CD2 3.45Å; L428-Y432 PolarHBondContact O-N 2.69Å; L428-Y432 VanDerWaalsContact O-N 3.07Å; E429-Y432 PolarHBondContact O-N 3.44Å; K430-Y432 VanDerWaalsContact C-N 3.3Å; K430-Y432 PolarHBondContact O-N 3.46Å; Y432-G436 PolarHBondContact O-N 3.49Å
433A93.1Very high83.9Confident58 Ų5862.1 Ų62.148%0.47934%0.341SS..Hα-helixtrans-66.8-46.817700000111.3E429 K430 V435 G436 C437E429-A433 PolarHBondContact O-N 2.89Å; K430-A433 WeakPolarHBondContact O-CB 3.39Å; K430-A433 PolarHBondContact O-N 3.43Å; K430-A433 VanDerWaalsContact O-N 3.1Å; A433-V435 PolarHBondContact O-N 3.06Å; A433-G436 PolarHBondContact O-N 3.43Å; A433-G436 VanDerWaalsContact O-N 3.12Å; A433-C437 PolarHBondContact O-N 3.21Å; A433-C437 PolarHBondContact O-SG 3.14Å; A433-C437 VanDerWaalsContact O-SG 3.42Å
434E92.6Very high81.5Confident120 Ų12061.6 Ų61.656%0.56134%0.339SS*.Hα-helixtrans-59.7-46.4179.2-176.6173.6164.600111.5K430 G436 C437K430-E434 WeakPolarHBondContact O-CB 3.17Å; K430-E434 PolarHBondContact O-N 3.16Å; E434-G436 PolarHBondContact O-N 2.73Å; E434-C437 WeakPolarHBondContact O-CB 3.22Å; E434-C437 PolarHBondContact O-N 3.21Å; E434-C437 VanDerWaalsContact O-N 3.15Å
435V91.4Very high79.2Confident15 Ų1564.3 Ų64.39%0.09135%0.353CS..Hα-helixtrans-68.3-20.4179.3176.30000112.9Y262 I265 M313 W346 D431 A433Y262-V435 HydrophobicContact CD2-CG2 3.87Å; Y262-V435 HydrophobicContact CE2-CG1 4.5Å; Y262-V435 HydrophobicContact CE2-CG2 3.55Å; I265-V435 HydrophobicContact CD1-CB 4.16Å; I265-V435 HydrophobicContact CD1-CG2 3.59Å; M313-V435 HydrophobicContact CG-CG1 4.09Å; M313-V435 HydrophobicContact SD-CB 4.38Å; M313-V435 HydrophobicContact SD-CG1 3.39Å; M313-V435 WeakPolarHBondContact SD-CG1 3.48Å; W346-V435 HydrophobicContact CH2-CG1 4.27Å; W346-V435 HydrophobicContact CZ2-CG1 3.33Å; W346-V435 PolarHBondContact NE1-O 3.18Å; D431-V435 WeakPolarHBondContact O-CB 3.49Å; D431-V435 VanDerWaalsContact O-CG2 3.26Å; D431-V435 WeakPolarHBondContact O-CG2 3.33Å; D431-V435 PolarHBondContact O-N 2.97Å; D431-V435 VanDerWaalsContact O-N 3.12Å; A433-V435 PolarHBondContact O-N 3.06Å
436G88.8Confident76.9Confident14 Ų1469.6 Ų69.614%0.14438%0.381CS..Hα-helixtrans-84.8-17174.900000115K311 Y432 A433 E434K311-G436 PolarHBondContact NZ-O 3.44Å; Y432-G436 PolarHBondContact O-N 3.49Å; A433-G436 PolarHBondContact O-N 3.43Å; A433-G436 VanDerWaalsContact O-N 3.12Å; E434-G436 PolarHBondContact O-N 2.73Å
437C86.8Confident74.6Confident65 Ų6574.7 Ų74.744%0.43940%0.399SS..SBendtrans-66137.8174.9-69.30000110.1A433 E434A433-C437 PolarHBondContact O-N 3.21Å; A433-C437 PolarHBondContact O-SG 3.14Å; A433-C437 VanDerWaalsContact O-SG 3.42Å; E434-C437 WeakPolarHBondContact O-CB 3.22Å; E434-C437 PolarHBondContact O-N 3.21Å; E434-C437 VanDerWaalsContact O-N 3.15Å
438D73.3Confident72.1Confident64 Ų6481 Ų8134%0.34242%0.421SS..  trans-70.2135.8174.3-68.5-51.4000109.2K311 I440 M441K311-D438 IonicContact NZ-OD1 3.81Å; K311-D438 PolarHBondContact NZ-OD1 2.8Å; K311-D438 IonicContact NZ-OD2 3.16Å; K311-D438 PolarHBondContact NZ-OD2 2.54Å; D438-I440 PolarHBondContact O-N 2.83Å; D438-M441 PolarHBondContact O-N 3.23Å
439T66.2Low69.7Low61 Ų6188.9 Ų88.937%0.37446%0.458SS..Hα-helixtrans-59.3-31.2179.654.20000112D345 M441 L442 D443D345-T439 WeakPolarHBondContact OD2-CB 2.99Å; D345-T439 PolarHBondContact OD2-N 3.18Å; D345-T439 PolarHBondContact OD2-OG1 3.45Å; T439-M441 PolarHBondContact O-N 2.77Å; T439-L442 PolarHBondContact O-N 3.25Å; T439-D443 PolarHBondContact O-N 3.03Å
440I56.8Low66.9Low112 Ų11294.5 Ų94.557%0.57448%0.484SS*.Hα-helixtrans-60.5-30.9176.9-56173.3000111.8D438 E444D438-I440 PolarHBondContact O-N 2.83Å; I440-E444 PolarHBondContact O-N 3.26Å
441M51.4Low64.5Low110 Ų110100.4 Ų100.454%0.54251%0.511SS..Hα-helixtrans-76.5-26.1177.2-70-146.368.300113.1D438 T439 D445D438-M441 PolarHBondContact O-N 3.23Å; T439-M441 PolarHBondContact O-N 2.77Å; M441-D445 PolarHBondContact O-N 3.13Å
442L50.6Low62.9Low91 Ų91103.2 Ų103.248%0.47652%0.524SS..Hα-helixtrans-76.3-36.4177.6-65.5171.9000111.2T439 D445 D446T439-L442 PolarHBondContact O-N 3.25Å; L442-D445 PolarHBondContact O-N 3.43Å; L442-D446 PolarHBondContact O-N 3Å
443D51.4Low61.2Low104 Ų104108.6 Ų108.656%0.55655%0.552SS**Hα-helixtrans-70.4-33.1176.6-68.7-19.4000112T439 D446 E447T439-D443 PolarHBondContact O-N 3.03Å; D443-D446 PolarHBondContact O-N 3.25Å; D443-E447 WeakPolarHBondContact O-CG 3.41Å; D443-E447 PolarHBondContact O-N 3.44Å
444E47.7Very low59.5Low119 Ų119111.4 Ų111.456%0.55656%0.556SS**Hα-helixtrans-68.6-35.9175.7-76.6-178.5176.600112.7I440 E448I440-E444 PolarHBondContact O-N 3.26Å; E444-E448 PolarHBondContact O-N 2.74Å
445D48.9Very low57.5Low101 Ų101110.9 Ų110.954%0.5456%0.556SS.*Hα-helixtrans-73.3-26.6176.6-78.1-22.2000112.7M441 L442M441-D445 PolarHBondContact O-N 3.13Å; L442-D445 PolarHBondContact O-N 3.43Å
446D47.9Very low55.4Low112 Ų112116.9 Ų116.960%0.59959%0.585SS**Hα-helixtrans-82.5-32.1175.3-81.7-22.2000112.5L442 D443 Q449L442-D446 PolarHBondContact O-N 3Å; D443-D446 PolarHBondContact O-N 3.25Å; D446-Q449 PolarHBondContact O-N 2.81Å
447E46.3Very low53.2Low148 Ų148123.8 Ų123.869%0.69261%0.614SS**Hα-helixtrans-72.3-24.8174.8-75.8-169.9-178.200113.3D443 Q449D443-E447 WeakPolarHBondContact O-CG 3.41Å; D443-E447 PolarHBondContact O-N 3.44Å; E447-Q449 VanDerWaalsContact C-N 3.27Å; E447-Q449 PolarHBondContact O-N 3.23Å
448E44.7Very low50.8Low169 Ų169128 Ų12879%0.7963%0.627SS**THydrogen-bonded Turntrans-74.6-10.5175.3-77.4-163.4169.500114.1E444E444-E448 PolarHBondContact O-N 2.74Å
449Q44.4Very low49Very low167 Ų167132.9 Ų132.978%0.7865%0.649SS**THydrogen-bonded Turntrans-95.1-3.2176.8-74.5-175.450.900114.8D446 E447D446-Q449 PolarHBondContact O-N 2.81Å; E447-Q449 VanDerWaalsContact C-N 3.27Å; E447-Q449 PolarHBondContact O-N 3.23Å
450E36.3Very low47.6Very low165 Ų165138.9 Ų138.977%0.77167%0.671SS**  trans-104.156.3174.3-70.5-157.7158.800113.2
451F44.8Very low46.8Very low269 Ų269141.4 Ų141.4100%1.1868%0.68SS**  trans-140.90161.7-77.1-71.8000114.6

Retrieved 451 of 451 residues in 244.8 ms (Link to these results)

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