A0A093HXC2_STRCA Loading...

Visinin-like protein 1

Regulates (in vitro) the inhibition of rhodopsin phosphorylation in a calcium-dependent manner.

AlphaFold DB (P62762), UniProt , Accession A0A093HXC2, Species STRCA (Struthio camelus australis), Gene n/a, Length 191 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
1M38.2Very low67.5Low248 Ų248130.5 Ų130.5100%1.22271%0.705SS**  093.90-70.7168.7107.800107.9
2G39.8Very low69.7Low75 Ų75124.7 Ų124.777%0.77368%0.677SS**  trans-76.9130.9-178.300000110.3Q4G2-Q4 PolarHBondContact O-N 2.65Å
3K46.3Very low71.7Confident202 Ų202116.1 Ų116.188%0.87863%0.63SS**  trans-55.4109.2167.1-77.4175.5173.9175.30107.1N5K3-N5 PolarHBondContact O-N 3.3Å
4Q52.6Low73.4Confident165 Ų165116.1 Ų116.177%0.77162%0.624SS**  trans-52.6119.4166.7-82.6174.7-24.600106.8G2 S6G2-Q4 PolarHBondContact O-N 2.65Å; Q4-S6 VanDerWaalsContact C-N 3.33Å; Q4-S6 PolarHBondContact O-N 3.16Å; Q4-S6 PolarHBondContact O-OG 2.95Å
5N54.4Low74.9Confident143 Ų143112.5 Ų112.577%0.76560%0.604SS**  trans-59.594.1-172.6-117.4-9.6000108.9K3 K7K3-N5 PolarHBondContact O-N 3.3Å; N5-K7 PolarHBondContact O-N 3.01Å
6S66.7Low76.3Confident90 Ų90105.4 Ų105.463%0.62957%0.566SS**  trans-75.516.6-174.7-23.40000112.5Q4Q4-S6 VanDerWaalsContact C-N 3.33Å; Q4-S6 PolarHBondContact O-N 3.16Å; Q4-S6 PolarHBondContact O-OG 2.95Å
7K80.9Confident77.5Confident170 Ų170103.1 Ų103.174%0.73956%0.556SS**SBendtrans-128.8136.1-175.3-64.9-175.8179.1-177.80108.3N5N5-K7 PolarHBondContact O-N 3.01Å
8L87.3Confident78.5Confident29 Ų29106.7 Ų106.715%0.15257%0.566CS.*  trans-59.4138.7168.2-68.7163.3000109.4V12 M13 L16 Y31 F82L8-V12 HydrophobicContact CD2-CG1 3.95Å; L8-M13 HydrophobicContact CB-CE 4.13Å; L8-M13 HydrophobicContact CD1-CE 3.57Å; L8-M13 HydrophobicContact CD1-SD 4.48Å; L8-M13 HydrophobicContact CG-CE 4.47Å; L8-L16 HydrophobicContact CD1-CD1 4.08Å; L8-L16 HydrophobicContact CD2-CD1 4.45Å; L8-Y31 HydrophobicContact CD1-CD1 4.25Å; L8-Y31 HydrophobicContact CD1-CD2 4.26Å; L8-Y31 HydrophobicContact CD1-CG 3.89Å; L8-Y31 HydrophobicContact CD2-CD1 4.23Å; L8-Y31 HydrophobicContact CD2-CD2 3.68Å; L8-Y31 HydrophobicContact CD2-CE1 4.1Å; L8-Y31 HydrophobicContact CD2-CE2 3.55Å; L8-Y31 HydrophobicContact CD2-CG 4Å; L8-Y31 HydrophobicContact CG-CD1 3.69Å; L8-Y31 HydrophobicContact CG-CD2 3.93Å; L8-Y31 HydrophobicContact CG-CE1 3.86Å; L8-Y31 HydrophobicContact CG-CE2 4.11Å; L8-Y31 HydrophobicContact CG-CG 3.7Å; L8-F82 HydrophobicContact CD1-CD1 4.4Å; L8-F82 HydrophobicContact CD1-CE1 3.85Å; L8-F82 HydrophobicContact CD2-CD1 4.01Å; L8-F82 HydrophobicContact CD2-CE1 4.3Å
9A91Very high79.4Confident52 Ų52103.9 Ų103.943%0.4356%0.556SS.*  trans-61.9146.7170.200000109.6E11 V12 M13A9-E11 VanDerWaalsContact C-N 3.28Å; A9-E11 PolarHBondContact O-N 3.49Å; A9-V12 HydrophobicContact CB-CG2 4.17Å; A9-V12 PolarHBondContact O-N 3.27Å; A9-V12 VanDerWaalsContact O-N 3.09Å; A9-M13 PolarHBondContact O-N 3.48Å
10P92Very high80.2Confident97 Ų9799.2 Ų99.263%0.6353%0.531SS*.Hα-helixtrans-53.5-42.3-179.5-27.835.6000113.5V12 M13 E14P10-V12 VanDerWaalsContact C-N 3.34Å; P10-V12 PolarHBondContact O-N 3.35Å; P10-M13 WeakPolarHBondContact O-CB 3.41Å; P10-M13 PolarHBondContact O-N 3.01Å; P10-M13 VanDerWaalsContact O-N 3.15Å; P10-E14 WeakPolarHBondContact O-CG 3.26Å; P10-E14 PolarHBondContact O-N 3.05Å
11E93.6Very high80.9Confident165 Ų165100 Ų10077%0.77153%0.532SS*.Hα-helixtrans-61.6-40.5178.3-63.9172.7-170.800112.5A9 E14 D15A9-E11 VanDerWaalsContact C-N 3.28Å; A9-E11 PolarHBondContact O-N 3.49Å; E11-E14 PolarHBondContact O-N 3.11Å; E11-D15 PolarHBondContact O-N 2.8Å
12V93.7Very high83.6Confident60 Ų6088.5 Ų88.536%0.36448%0.475SS..Hα-helixtrans-68-40.2175.7179.30000110.3L8 A9 P10 E14 D15 L16L8-V12 HydrophobicContact CD2-CG1 3.95Å; A9-V12 HydrophobicContact CB-CG2 4.17Å; A9-V12 PolarHBondContact O-N 3.27Å; A9-V12 VanDerWaalsContact O-N 3.09Å; P10-V12 VanDerWaalsContact C-N 3.34Å; P10-V12 PolarHBondContact O-N 3.35Å; V12-E14 PolarHBondContact O-N 3.11Å; V12-D15 PolarHBondContact O-N 3.39Å; V12-L16 HydrophobicContact CG1-CD1 4.07Å; V12-L16 HydrophobicContact CG1-CG 4.28Å; V12-L16 WeakPolarHBondContact O-CB 3.44Å; V12-L16 VanDerWaalsContact O-CG 3.24Å; V12-L16 WeakPolarHBondContact O-CG 3.39Å; V12-L16 PolarHBondContact O-N 2.74Å
13M95.6Very high86.3Confident13 Ų1389 Ų896%0.06446%0.46CS..Hα-helixtrans-61-45.6175.9-176.361.772.400111.3L8 A9 P10 D15 L16 V17 E24 L27 K28L8-M13 HydrophobicContact CB-CE 4.13Å; L8-M13 HydrophobicContact CD1-CE 3.57Å; L8-M13 HydrophobicContact CD1-SD 4.48Å; L8-M13 HydrophobicContact CG-CE 4.47Å; A9-M13 PolarHBondContact O-N 3.48Å; P10-M13 WeakPolarHBondContact O-CB 3.41Å; P10-M13 PolarHBondContact O-N 3.01Å; P10-M13 VanDerWaalsContact O-N 3.15Å; M13-D15 VanDerWaalsContact C-N 3.35Å; M13-D15 PolarHBondContact O-N 3.33Å; M13-L16 PolarHBondContact O-N 3.03Å; M13-V17 HydrophobicContact CG-CG2 4.47Å; M13-V17 WeakPolarHBondContact O-CG2 3.39Å; M13-V17 PolarHBondContact O-N 3.34Å; M13-V17 HydrophobicContact SD-CG2 4.32Å; M13-E24 HydrophobicContact CE-CG 4.1Å; M13-E24 HydrophobicContact CG-CG 3.88Å; M13-E24 HydrophobicContact SD-CB 4.21Å; M13-E24 HydrophobicContact SD-CG 3.79Å; M13-L27 HydrophobicContact CE-CB 4.18Å; M13-L27 HydrophobicContact SD-CB 3.78Å; M13-L27 HydrophobicContact SD-CD1 3.61Å; M13-L27 HydrophobicContact SD-CG 4.36Å; M13-K28 HydrophobicContact CE-CD 4.48Å; M13-K28 HydrophobicContact CE-CG 3.65Å
14E95.4Very high88.7Confident116 Ų11684.1 Ų84.154%0.54244%0.44SS..Hα-helixtrans-61.9-40.6177.4-73.1-179-161.800112.5P10 E11 V12 K18P10-E14 WeakPolarHBondContact O-CG 3.26Å; P10-E14 PolarHBondContact O-N 3.05Å; E11-E14 PolarHBondContact O-N 3.11Å; V12-E14 PolarHBondContact O-N 3.11Å; E14-K18 WeakPolarHBondContact O-CG 3.45Å; E14-K18 PolarHBondContact O-N 2.68Å
15D96.4Very high90.7Very high62 Ų6282 Ų8233%0.33243%0.43SS..Hα-helixtrans-60.9-47.6173.6178.363.2000111.8E11 V12 M13 V17 K18 S19 R83E11-D15 PolarHBondContact O-N 2.8Å; V12-D15 PolarHBondContact O-N 3.39Å; M13-D15 VanDerWaalsContact C-N 3.35Å; M13-D15 PolarHBondContact O-N 3.33Å; D15-V17 PolarHBondContact O-N 3.37Å; D15-K18 PolarHBondContact O-N 3.34Å; D15-K18 VanDerWaalsContact O-N 3.15Å; D15-S19 VanDerWaalsContact O-CB 3.29Å; D15-S19 WeakPolarHBondContact O-CB 3.46Å; D15-S19 PolarHBondContact O-N 3.5Å; D15-S19 PolarHBondContact O-OG 2.79Å; D15-R83 IonicContact OD1-NH2 2.68Å; D15-R83 IonicContact OD2-CZ 3.66Å; D15-R83 IonicContact OD2-NE 3.25Å; D15-R83 PolarHBondContact OD2-NE 3.49Å; D15-R83 IonicContact OD2-NH2 3.96Å; D15-R83 PolarHBondContact OD2-NH2 3.3Å
16L97Very high92.7Very high0 Ų077.1 Ų77.10%040%0.403CS..Hα-helixtrans-66.3-38.8-178-69.2179.6000112.4L8 V12 M13 K18 S19 T20 L27 F82 R83 I86L8-L16 HydrophobicContact CD1-CD1 4.08Å; L8-L16 HydrophobicContact CD2-CD1 4.45Å; V12-L16 HydrophobicContact CG1-CD1 4.07Å; V12-L16 HydrophobicContact CG1-CG 4.28Å; V12-L16 WeakPolarHBondContact O-CB 3.44Å; V12-L16 VanDerWaalsContact O-CG 3.24Å; V12-L16 WeakPolarHBondContact O-CG 3.39Å; V12-L16 PolarHBondContact O-N 2.74Å; M13-L16 PolarHBondContact O-N 3.03Å; L16-K18 VanDerWaalsContact C-N 3.26Å; L16-K18 PolarHBondContact O-N 2.91Å; L16-S19 PolarHBondContact O-N 3.13Å; L16-T20 WeakPolarHBondContact O-CB 3.41Å; L16-T20 WeakPolarHBondContact O-CG2 3.33Å; L16-T20 PolarHBondContact O-N 2.74Å; L16-T20 PolarHBondContact O-OG1 3Å; L16-L27 HydrophobicContact CB-CD1 3.74Å; L16-L27 HydrophobicContact CB-CD2 4.2Å; L16-F82 HydrophobicContact CD1-CD1 4.02Å; L16-F82 HydrophobicContact CD1-CE1 3.73Å; L16-R83 HydrophobicContact CD2-CB 4.14Å; L16-R83 HydrophobicContact CD2-CG 3.76Å; L16-I86 HydrophobicContact CD1-CG2 4.41Å; L16-I86 HydrophobicContact CD2-CG2 3.69Å
17V96.8Very high94.1Very high65 Ų6572.9 Ų72.939%0.39437%0.373SS..Hα-helixtrans-63.8-33.9174.1171.20000111.3M13 D15 E24 L27M13-V17 HydrophobicContact CG-CG2 4.47Å; M13-V17 WeakPolarHBondContact O-CG2 3.39Å; M13-V17 PolarHBondContact O-N 3.34Å; M13-V17 HydrophobicContact SD-CG2 4.32Å; D15-V17 PolarHBondContact O-N 3.37Å; V17-E24 HydrophobicContact CG2-CB 4.44Å; V17-L27 HydrophobicContact CB-CD1 4.49Å; V17-L27 HydrophobicContact CG2-CD1 3.56Å
18K96.1Very high94.8Very high168 Ų16869.9 Ų69.973%0.7336%0.36SS*.Hα-helixtrans-77.6-29176.3-71.8171.6-175.5167.50113.2E14 D15 L16E14-K18 WeakPolarHBondContact O-CG 3.45Å; E14-K18 PolarHBondContact O-N 2.68Å; D15-K18 PolarHBondContact O-N 3.34Å; D15-K18 VanDerWaalsContact O-N 3.15Å; L16-K18 VanDerWaalsContact C-N 3.26Å; L16-K18 PolarHBondContact O-N 2.91Å
19S94.5Very high95.2Very high55 Ų5573.9 Ų73.939%0.38538%0.378SS..Hα-helixtrans-96-9.2-173.4-590000113.8D15 L16D15-S19 VanDerWaalsContact O-CB 3.29Å; D15-S19 WeakPolarHBondContact O-CB 3.46Å; D15-S19 PolarHBondContact O-N 3.5Å; D15-S19 PolarHBondContact O-OG 2.79Å; L16-S19 PolarHBondContact O-N 3.13Å
20T95.7Very high95.4Very high9 Ų976.4 Ų76.46%0.05538%0.376CS..SBendtrans-135.4161.8-175.172.10000112.3L16 F22 I86 S90L16-T20 WeakPolarHBondContact O-CB 3.41Å; L16-T20 WeakPolarHBondContact O-CG2 3.33Å; L16-T20 PolarHBondContact O-N 2.74Å; L16-T20 PolarHBondContact O-OG1 3Å; T20-F22 PolarHBondContact O-N 2.77Å; T20-F22 PolarHBondContact OG1-N 3.36Å; T20-I86 HydrophobicContact CG2-CG2 4.27Å; T20-S90 WeakPolarHBondContact CA-OG 3.31Å
21E94.8Very high95.5Very high116 Ų11673.7 Ų73.754%0.54235%0.354SS..SBendtrans-86.221.3174.5-59.8-59.8144.900111.9S90 R94E21-S90 PolarHBondContact N-OG 3.48Å; E21-R94 HydrophobicContact CB-CB 3.63Å; E21-R94 HydrophobicContact CB-CG 4.35Å; E21-R94 HydrophobicContact CG-CB 3.97Å; E21-R94 WeakPolarHBondContact O-CD 3.1Å; E21-R94 PolarHBondContact O-NH1 3.03Å
22F95.7Very high95.5Very high7 Ų773.8 Ų73.83%0.03135%0.351CS..  trans-107.2137.3178.6-66.1-71000110.8T20 E26 L27 W30 I86 L89T20-F22 PolarHBondContact O-N 2.77Å; T20-F22 PolarHBondContact OG1-N 3.36Å; F22-E26 WeakPolarHBondContact CA-OE2 3.47Å; F22-E26 HydrophobicContact CB-CB 4.21Å; F22-E26 HydrophobicContact CD1-CB 4.05Å; F22-L27 HydrophobicContact CB-CD2 3.76Å; F22-L27 HydrophobicContact CB-CG 3.85Å; F22-L27 HydrophobicContact CD2-CD2 4.49Å; F22-L27 HydrophobicContact CG-CD2 4.46Å; F22-W30 AromaticContact CE1-NE1 3.7Å; F22-I86 HydrophobicContact CD2-CD1 3.68Å; F22-I86 HydrophobicContact CD2-CG1 3.86Å; F22-I86 HydrophobicContact CE2-CD1 3.57Å; F22-I86 HydrophobicContact CE2-CG1 4.11Å; F22-I86 HydrophobicContact CG-CD1 4.44Å; F22-I86 HydrophobicContact CZ-CD1 4.27Å; F22-L89 HydrophobicContact CE2-CD2 4.47Å; F22-L89 HydrophobicContact CE2-CG 4.36Å; F22-L89 HydrophobicContact CZ-CD2 4.13Å; F22-L89 HydrophobicContact CZ-CG 4.11Å
23N96Very high95.4Very high84 Ų8472.3 Ų72.345%0.44935%0.349SS..  trans-80.4167.5172.567.459000111.7H25 E26 L27N23-H25 PolarHBondContact O-N 3.3Å; N23-H25 VanDerWaalsContact O-N 3.15Å; N23-H25 WeakPolarHBondContact OD1-CA 3.2Å; N23-H25 VanDerWaalsContact OD1-CB 3.28Å; N23-H25 WeakPolarHBondContact OD1-CB 3.48Å; N23-H25 PolarHBondContact OD1-N 2.88Å; N23-E26 PolarHBondContact N-OE2 2.8Å; N23-E26 PolarHBondContact ND2-OE2 3.06Å; N23-E26 VanDerWaalsContact ND2-OE2 3.13Å; N23-E26 PolarHBondContact O-N 2.89Å; N23-E26 VanDerWaalsContact O-N 3.12Å; N23-E26 PolarHBondContact OD1-N 3.39Å; N23-L27 WeakPolarHBondContact O-CG 3.33Å; N23-L27 PolarHBondContact O-N 2.93Å
24E95.8Very high95.3Very high100 Ų10072.3 Ų72.347%0.46735%0.349SS..Hα-helixtrans-55.2-34.8-178.4179.7177.116900113.6M13 V17 K28M13-E24 HydrophobicContact CE-CG 4.1Å; M13-E24 HydrophobicContact CG-CG 3.88Å; M13-E24 HydrophobicContact SD-CB 4.21Å; M13-E24 HydrophobicContact SD-CG 3.79Å; V17-E24 HydrophobicContact CG2-CB 4.44Å; E24-K28 HydrophobicContact CG-CD 4.37Å; E24-K28 VanDerWaalsContact O-CG 3.3Å; E24-K28 WeakPolarHBondContact O-CG 3.2Å; E24-K28 PolarHBondContact O-N 2.96Å; E24-K28 VanDerWaalsContact O-N 3.13Å; E24-K28 WeakPolarHBondContact OE1-CE 3.47Å; E24-K28 IonicContact OE1-NZ 2.76Å; E24-K28 PolarHBondContact OE1-NZ 3.45Å
25H95.6Very high95.1Very high121 Ų12168.8 Ų68.856%0.5633%0.333SS*.Hα-helixtrans-67.9-46.4178.6-178.879.9000111.4N23 K28 Q29N23-H25 PolarHBondContact O-N 3.3Å; N23-H25 VanDerWaalsContact O-N 3.15Å; N23-H25 WeakPolarHBondContact OD1-CA 3.2Å; N23-H25 VanDerWaalsContact OD1-CB 3.28Å; N23-H25 WeakPolarHBondContact OD1-CB 3.48Å; N23-H25 PolarHBondContact OD1-N 2.88Å; H25-K28 PolarHBondContact O-N 2.89Å; H25-Q29 PolarHBondContact NE2-NE2 3.26Å; H25-Q29 WeakPolarHBondContact O-CG 3.14Å; H25-Q29 PolarHBondContact O-N 3.04Å; H25-Q29 VanDerWaalsContact O-N 3.16Å
26E96.2Very high94.8Very high41 Ų4173.9 Ų73.919%0.19235%0.352CS..Hα-helixtrans-63.3-44.2177.3-65.2176.1126.800111.3F22 N23 K28 Q29 W30 R94F22-E26 WeakPolarHBondContact CA-OE2 3.47Å; F22-E26 HydrophobicContact CB-CB 4.21Å; F22-E26 HydrophobicContact CD1-CB 4.05Å; N23-E26 PolarHBondContact N-OE2 2.8Å; N23-E26 PolarHBondContact ND2-OE2 3.06Å; N23-E26 VanDerWaalsContact ND2-OE2 3.13Å; N23-E26 PolarHBondContact O-N 2.89Å; N23-E26 VanDerWaalsContact O-N 3.12Å; N23-E26 PolarHBondContact OD1-N 3.39Å; E26-K28 VanDerWaalsContact C-N 3.31Å; E26-K28 PolarHBondContact O-N 2.77Å; E26-Q29 WeakPolarHBondContact O-CB 3.4Å; E26-Q29 PolarHBondContact O-N 3.27Å; E26-Q29 VanDerWaalsContact O-N 3.08Å; E26-W30 VanDerWaalsContact O-CD1 3.31Å; E26-W30 PolarHBondContact O-N 2.88Å; E26-R94 IonicContact OE1-CZ 3.24Å; E26-R94 IonicContact OE1-NH1 3.81Å; E26-R94 PolarHBondContact OE1-NH1 3.1Å; E26-R94 VanDerWaalsContact OE1-NH1 3.17Å; E26-R94 IonicContact OE1-NH2 3.49Å; E26-R94 PolarHBondContact OE1-NH2 3.35Å; E26-R94 IonicContact OE2-CZ 2.61Å; E26-R94 IonicContact OE2-NH1 2.79Å; E26-R94 PolarHBondContact OE2-NH1 2.95Å; E26-R94 IonicContact OE2-NH2 2.75Å
27L96.7Very high94.3Very high0 Ų079.4 Ų79.40%038%0.382CS..Hα-helixtrans-59-41.6177.4-70.4172.2000111.9M13 L16 V17 F22 N23 Q29 W30 Y31 I86M13-L27 HydrophobicContact CE-CB 4.18Å; M13-L27 HydrophobicContact SD-CB 3.78Å; M13-L27 HydrophobicContact SD-CD1 3.61Å; M13-L27 HydrophobicContact SD-CG 4.36Å; L16-L27 HydrophobicContact CB-CD1 3.74Å; L16-L27 HydrophobicContact CB-CD2 4.2Å; V17-L27 HydrophobicContact CB-CD1 4.49Å; V17-L27 HydrophobicContact CG2-CD1 3.56Å; F22-L27 HydrophobicContact CB-CD2 3.76Å; F22-L27 HydrophobicContact CB-CG 3.85Å; F22-L27 HydrophobicContact CD2-CD2 4.49Å; F22-L27 HydrophobicContact CG-CD2 4.46Å; N23-L27 WeakPolarHBondContact O-CG 3.33Å; N23-L27 PolarHBondContact O-N 2.93Å; L27-Q29 VanDerWaalsContact C-N 3.34Å; L27-Q29 PolarHBondContact O-N 3.38Å; L27-W30 PolarHBondContact O-N 2.83Å; L27-Y31 VanDerWaalsContact O-CB 3.26Å; L27-Y31 WeakPolarHBondContact O-CB 3.3Å; L27-Y31 PolarHBondContact O-N 3.25Å; L27-I86 HydrophobicContact CD2-CD1 4.36Å; L27-I86 HydrophobicContact CD2-CG1 3.58Å
28K94.8Very high93.9Very high108 Ų10876.7 Ų76.747%0.4737%0.365SS..Hα-helixtrans-63.4-38.7174.7-74173.1-174.3169.20112.5M13 E24 H25 E26 K32M13-K28 HydrophobicContact CE-CD 4.48Å; M13-K28 HydrophobicContact CE-CG 3.65Å; E24-K28 HydrophobicContact CG-CD 4.37Å; E24-K28 VanDerWaalsContact O-CG 3.3Å; E24-K28 WeakPolarHBondContact O-CG 3.2Å; E24-K28 PolarHBondContact O-N 2.96Å; E24-K28 VanDerWaalsContact O-N 3.13Å; E24-K28 WeakPolarHBondContact OE1-CE 3.47Å; E24-K28 IonicContact OE1-NZ 2.76Å; E24-K28 PolarHBondContact OE1-NZ 3.45Å; H25-K28 PolarHBondContact O-N 2.89Å; E26-K28 VanDerWaalsContact C-N 3.31Å; E26-K28 PolarHBondContact O-N 2.77Å; K28-K32 WeakPolarHBondContact O-CB 3.38Å; K28-K32 PolarHBondContact O-N 3.49Å
29Q95.1Very high93.6Very high113 Ų11373.2 Ų73.253%0.52836%0.36SS..Hα-helixtrans-67.9-47.8177.8-71.6-179-22.600111.3H25 E26 L27 Y31 K32 G33H25-Q29 PolarHBondContact NE2-NE2 3.26Å; H25-Q29 WeakPolarHBondContact O-CG 3.14Å; H25-Q29 PolarHBondContact O-N 3.04Å; H25-Q29 VanDerWaalsContact O-N 3.16Å; E26-Q29 WeakPolarHBondContact O-CB 3.4Å; E26-Q29 PolarHBondContact O-N 3.27Å; E26-Q29 VanDerWaalsContact O-N 3.08Å; L27-Q29 VanDerWaalsContact C-N 3.34Å; L27-Q29 PolarHBondContact O-N 3.38Å; Q29-Y31 PolarHBondContact O-N 3.3Å; Q29-K32 PolarHBondContact O-N 3.4Å; Q29-G33 PolarHBondContact O-N 3.22Å
30W95.1Very high93.5Very high105 Ų10574.7 Ų74.740%0.39837%0.37SS..Hα-helixtrans-59.3-45.3175.1-81.9115.1000111.7F22 E26 L27 K32 G33 F34 F82 F85 I86 L89F22-W30 AromaticContact CE1-NE1 3.7Å; E26-W30 VanDerWaalsContact O-CD1 3.31Å; E26-W30 PolarHBondContact O-N 2.88Å; L27-W30 PolarHBondContact O-N 2.83Å; W30-K32 VanDerWaalsContact C-N 3.33Å; W30-K32 PolarHBondContact O-N 3.49Å; W30-G33 PolarHBondContact O-N 2.99Å; W30-F34 VanDerWaalsContact O-CB 3.3Å; W30-F34 WeakPolarHBondContact O-CB 3.33Å; W30-F34 PolarHBondContact O-N 3.21Å; W30-F82 HydrophobicContact CB-CE2 3.98Å; W30-F82 HydrophobicContact CB-CZ 3.97Å; W30-F85 AromaticContact CE3-CE1 3.85Å; W30-F85 HydrophobicContact CE3-CE1 3.85Å; W30-F85 HydrophobicContact CE3-CZ 4.15Å; W30-F85 HydrophobicContact CZ3-CE1 4.21Å; W30-F85 HydrophobicContact CZ3-CZ 4.02Å; W30-I86 HydrophobicContact CB-CD1 3.92Å; W30-I86 HydrophobicContact CD2-CD1 4.33Å; W30-I86 HydrophobicContact CG-CD1 3.75Å; W30-L89 HydrophobicContact CD2-CD2 4.05Å; W30-L89 HydrophobicContact CE3-CD2 4.18Å; W30-L89 HydrophobicContact CH2-CD2 3.7Å; W30-L89 HydrophobicContact CZ2-CD2 3.54Å; W30-L89 HydrophobicContact CZ3-CD2 4.01Å
31Y95Very high93.3Very high40 Ų4075.2 Ų75.216%0.15738%0.378CS..Hα-helixtrans-61.6-42.4178.6-172.3-118.5000112.3L8 L27 Q29 G33 F34 L35 F82L8-Y31 HydrophobicContact CD1-CD1 4.25Å; L8-Y31 HydrophobicContact CD1-CD2 4.26Å; L8-Y31 HydrophobicContact CD1-CG 3.89Å; L8-Y31 HydrophobicContact CD2-CD1 4.23Å; L8-Y31 HydrophobicContact CD2-CD2 3.68Å; L8-Y31 HydrophobicContact CD2-CE1 4.1Å; L8-Y31 HydrophobicContact CD2-CE2 3.55Å; L8-Y31 HydrophobicContact CD2-CG 4Å; L8-Y31 HydrophobicContact CG-CD1 3.69Å; L8-Y31 HydrophobicContact CG-CD2 3.93Å; L8-Y31 HydrophobicContact CG-CE1 3.86Å; L8-Y31 HydrophobicContact CG-CE2 4.11Å; L8-Y31 HydrophobicContact CG-CG 3.7Å; L27-Y31 VanDerWaalsContact O-CB 3.26Å; L27-Y31 WeakPolarHBondContact O-CB 3.3Å; L27-Y31 PolarHBondContact O-N 3.25Å; Q29-Y31 PolarHBondContact O-N 3.3Å; Y31-G33 VanDerWaalsContact C-N 3.35Å; Y31-G33 PolarHBondContact O-N 3.3Å; Y31-F34 PolarHBondContact O-N 3.46Å; Y31-L35 HydrophobicContact CD1-CD1 4.12Å; Y31-L35 HydrophobicContact CD2-CG 4.47Å; Y31-L35 HydrophobicContact CE1-CD1 3.54Å; Y31-L35 HydrophobicContact CE1-CG 4.29Å; Y31-L35 HydrophobicContact CE2-CD1 4.2Å; Y31-L35 HydrophobicContact CE2-CD2 4.34Å; Y31-L35 HydrophobicContact CE2-CG 4.15Å; Y31-L35 WeakPolarHBondContact O-CG 3.33Å; Y31-L35 PolarHBondContact O-N 2.94Å; Y31-F82 VanDerWaalsContact CA-CE2 3.41Å; Y31-F82 HydrophobicContact CD2-CB 4.09Å; Y31-F82 AromaticContact CD2-CD1 3.46Å; Y31-F82 HydrophobicContact CD2-CD1 3.46Å; Y31-F82 VanDerWaalsContact CD2-CD1 3.46Å; Y31-F82 AromaticContact CD2-CD2 3.84Å; Y31-F82 HydrophobicContact CD2-CD2 3.84Å; Y31-F82 AromaticContact CD2-CE1 3.77Å; Y31-F82 HydrophobicContact CD2-CE1 3.77Å; Y31-F82 HydrophobicContact CD2-CE2 4.13Å; Y31-F82 AromaticContact CD2-CG 3.49Å; Y31-F82 HydrophobicContact CD2-CG 3.49Å; Y31-F82 VanDerWaalsContact CD2-CG 3.49Å; Y31-F82 HydrophobicContact CD2-CZ 4.09Å; Y31-F82 HydrophobicContact CE2-CB 4.16Å; Y31-F82 HydrophobicContact CE2-CD1 4.1Å; Y31-F82 HydrophobicContact CE2-CG 4.05Å; Y31-F82 HydrophobicContact CG-CD1 4.35Å; Y31-F82 HydrophobicContact CG-CE1 4.23Å; Y31-F82 HydrophobicContact CG-CZ 4.36Å
32K93.5Very high93.3Very high166 Ų16674.8 Ų74.872%0.72237%0.371SS*.Hα-helixtrans-63.5-40.6175.8-176-178.8176.7-174.90111.9K28 Q29 W30 K36K28-K32 WeakPolarHBondContact O-CB 3.38Å; K28-K32 PolarHBondContact O-N 3.49Å; Q29-K32 PolarHBondContact O-N 3.4Å; W30-K32 VanDerWaalsContact C-N 3.33Å; W30-K32 PolarHBondContact O-N 3.49Å; K32-K36 WeakPolarHBondContact O-CB 3.3Å; K32-K36 PolarHBondContact O-N 3.17Å
33G92.4Very high93.2Very high30 Ų3074.7 Ų74.731%0.30937%0.371SS..Hα-helixtrans-64.9-46.9174.700000111.7Q29 W30 Y31 L35 K36 D37Q29-G33 PolarHBondContact O-N 3.22Å; W30-G33 PolarHBondContact O-N 2.99Å; Y31-G33 VanDerWaalsContact C-N 3.35Å; Y31-G33 PolarHBondContact O-N 3.3Å; G33-L35 PolarHBondContact O-N 2.84Å; G33-K36 VanDerWaalsContact O-CB 3.32Å; G33-K36 WeakPolarHBondContact O-CB 3.44Å; G33-K36 PolarHBondContact O-N 3.16Å; G33-D37 PolarHBondContact O-N 3.32Å
34F92.1Very high93.1Very high13 Ų1373.4 Ų73.46%0.05736%0.364CS..Hα-helixtrans-58.8-47.1179.4-171.6-93000112.1W30 Y31 K36 D37 C38 G41 L43 F82 F85W30-F34 VanDerWaalsContact O-CB 3.3Å; W30-F34 WeakPolarHBondContact O-CB 3.33Å; W30-F34 PolarHBondContact O-N 3.21Å; Y31-F34 PolarHBondContact O-N 3.46Å; F34-K36 VanDerWaalsContact C-N 3.27Å; F34-K36 PolarHBondContact O-N 2.95Å; F34-D37 PolarHBondContact O-N 3.25Å; F34-C38 HydrophobicContact CE1-CB 4.35Å; F34-C38 WeakPolarHBondContact O-CA 3.43Å; F34-C38 WeakPolarHBondContact O-CB 3.5Å; F34-C38 PolarHBondContact O-N 2.94Å; F34-G41 WeakPolarHBondContact CE1-O 3.39Å; F34-L43 HydrophobicContact CZ-CB 4.42Å; F34-F82 HydrophobicContact CB-CD2 3.7Å; F34-F82 HydrophobicContact CB-CE2 4.02Å; F34-F82 HydrophobicContact CD1-CB 4.04Å; F34-F82 AromaticContact CD1-CD2 3.93Å; F34-F82 HydrophobicContact CD1-CD2 3.93Å; F34-F82 HydrophobicContact CD1-CG 4.44Å; F34-F82 HydrophobicContact CD2-CD2 4.13Å; F34-F82 HydrophobicContact CE1-CB 4.05Å; F34-F82 AromaticContact CG-CD2 3.66Å; F34-F82 HydrophobicContact CG-CD2 3.66Å; F34-F82 HydrophobicContact CG-CE2 4.41Å; F34-F85 HydrophobicContact CD2-CB 4.34Å; F34-F85 AromaticContact CD2-CD1 3.79Å; F34-F85 HydrophobicContact CD2-CD1 3.79Å; F34-F85 HydrophobicContact CD2-CE1 4.25Å; F34-F85 AromaticContact CD2-CG 3.98Å; F34-F85 HydrophobicContact CD2-CG 3.98Å; F34-F85 HydrophobicContact CE2-CB 3.86Å; F34-F85 HydrophobicContact CE2-CD1 4.16Å; F34-F85 HydrophobicContact CE2-CD2 4.41Å; F34-F85 AromaticContact CE2-CG 3.88Å; F34-F85 HydrophobicContact CE2-CG 3.88Å
35L92.7Very high93Very high41 Ų4171.1 Ų71.122%0.21536%0.355CS..Hα-helixtrans-69.2-22.2175.8-68.5-174.7000114Y31 G33 P39Y31-L35 HydrophobicContact CD1-CD1 4.12Å; Y31-L35 HydrophobicContact CD2-CG 4.47Å; Y31-L35 HydrophobicContact CE1-CD1 3.54Å; Y31-L35 HydrophobicContact CE1-CG 4.29Å; Y31-L35 HydrophobicContact CE2-CD1 4.2Å; Y31-L35 HydrophobicContact CE2-CD2 4.34Å; Y31-L35 HydrophobicContact CE2-CG 4.15Å; Y31-L35 WeakPolarHBondContact O-CG 3.33Å; Y31-L35 PolarHBondContact O-N 2.94Å; G33-L35 PolarHBondContact O-N 2.84Å; L35-P39 WeakPolarHBondContact O-CA 3.38Å
36K90.1Very high92.9Very high170 Ų17071.9 Ų71.974%0.73936%0.359SS*.Hα-helixtrans-72.2-41.8174.6-179.6-172.4171.2-166.40110.6K32 G33 F34K32-K36 WeakPolarHBondContact O-CB 3.3Å; K32-K36 PolarHBondContact O-N 3.17Å; G33-K36 VanDerWaalsContact O-CB 3.32Å; G33-K36 WeakPolarHBondContact O-CB 3.44Å; G33-K36 PolarHBondContact O-N 3.16Å; F34-K36 VanDerWaalsContact C-N 3.27Å; F34-K36 PolarHBondContact O-N 2.95Å
37D85.8Confident92.6Very high115 Ų11573.4 Ų73.462%0.61537%0.366SS*.Hα-helixtrans-85.8-31.1-177.6-63.2-22.5000111.9G33 F34G33-D37 PolarHBondContact O-N 3.32Å; F34-D37 PolarHBondContact O-N 3.25Å
38C88.8Confident92.4Very high8 Ų873.9 Ų73.95%0.05437%0.368CS..  trans-12679.7178.6-51.40000110.3F34 S40 G41 L43F34-C38 HydrophobicContact CE1-CB 4.35Å; F34-C38 WeakPolarHBondContact O-CA 3.43Å; F34-C38 WeakPolarHBondContact O-CB 3.5Å; F34-C38 PolarHBondContact O-N 2.94Å; C38-S40 PolarHBondContact O-N 3.21Å; C38-S40 VanDerWaalsContact O-N 3.07Å; C38-G41 PolarHBondContact O-N 2.91Å; C38-L43 WeakPolarHBondContact SG-CD1 3.47Å
39P89.5Confident92.2Very high95 Ų9571 Ų7162%0.61736%0.356SS*.THydrogen-bonded Turntrans-59.6-22-176.3-26.335.9000115L35 G41L35-P39 WeakPolarHBondContact O-CA 3.38Å; P39-G41 PolarHBondContact O-N 3.01Å
40S91.3Very high91.9Very high86 Ų8670.6 Ų70.660%0.60135%0.354SS*.THydrogen-bonded Turntrans-66.4-20.1172.453.70000113.4C38 R42C38-S40 PolarHBondContact O-N 3.21Å; C38-S40 VanDerWaalsContact O-N 3.07Å; S40-R42 PolarHBondContact OG-N 3.39Å; S40-R42 PolarHBondContact OG-O 2.95Å
41G92.3Very high91.4Very high20 Ų2068.5 Ų68.521%0.20635%0.35CS..SBendtrans74.810.9-168.500000114.1F34 C38 P39F34-G41 WeakPolarHBondContact CE1-O 3.39Å; C38-G41 PolarHBondContact O-N 2.91Å; P39-G41 PolarHBondContact O-N 3.01Å
42R94.1Very high90.9Very high107 Ų10768.8 Ų68.840%0.40435%0.351SS..EExtended strand (participates in β ladder)trans-141.1139.8178.8-70.7-178.9176.5-95.3-2109.7S40 D77 T79S40-R42 PolarHBondContact OG-N 3.39Å; S40-R42 PolarHBondContact OG-O 2.95Å; R42-D77 IonicContact CZ-OD2 3.38Å; R42-D77 IonicContact NH1-OD1 3.17Å; R42-D77 IonicContact NH1-OD2 2.85Å; R42-D77 PolarHBondContact NH1-OD2 3.01Å; R42-T79 PolarHBondContact NH1-OG1 3.4Å
43L93.6Very high90.5Very high6 Ų664.3 Ų64.33%0.03134%0.338CS..EExtended strand (participates in β ladder)trans-108.1119.1177.4-177.271.1000109F34 C38 E47 F48 L51 T79 I80F34-L43 HydrophobicContact CZ-CB 4.42Å; C38-L43 WeakPolarHBondContact SG-CD1 3.47Å; L43-E47 WeakPolarHBondContact CA-OE2 3.38Å; L43-E47 HydrophobicContact CD1-CB 3.29Å; L43-E47 HydrophobicContact CD1-CG 4.42Å; L43-E47 HydrophobicContact CG-CB 4.26Å; L43-F48 HydrophobicContact CD2-CB 4Å; L43-F48 HydrophobicContact CD2-CD2 3.55Å; L43-F48 HydrophobicContact CD2-CG 4.26Å; L43-F48 HydrophobicContact CG-CB 4.13Å; L43-L51 HydrophobicContact CD2-CD1 3.98Å; L43-T79 CarbonylContact O-C 3.29Å; L43-T79 WeakPolarHBondContact O-CA 3.45Å; L43-I80 HydrophobicContact CB-CB 4.34Å; L43-I80 PolarHBondContact N-O 3.32Å; L43-I80 PolarHBondContact O-N 3.01Å
44N94.5Very high90Very high57 Ų5770.3 Ų70.331%0.30536%0.355SS..EExtended strand (participates in β ladder)trans-85.8170.6174.97053.2000111.4E46 E47 F48N44-E46 VanDerWaalsContact C-N 3.32Å; N44-E46 PolarHBondContact O-N 3.14Å; N44-E46 WeakPolarHBondContact OD1-CA 3.4Å; N44-E46 WeakPolarHBondContact OD1-CB 3.45Å; N44-E46 PolarHBondContact OD1-N 2.86Å; N44-E47 PolarHBondContact N-OE2 2.92Å; N44-E47 PolarHBondContact ND2-OE2 2.95Å; N44-E47 VanDerWaalsContact ND2-OE2 3.1Å; N44-E47 PolarHBondContact O-N 3.19Å; N44-E47 WeakPolarHBondContact OD1-CG 3.16Å; N44-E47 PolarHBondContact OD1-N 3.3Å; N44-F48 WeakPolarHBondContact O-CB 3.43Å; N44-F48 PolarHBondContact O-N 3.07Å
45L94.1Very high89.3Confident51 Ų5177.3 Ų77.327%0.26739%0.386SS..Hα-helixtrans-58.9-40.5-177.917660.4000113.2F48 Q49 Q66 F69L45-F48 PolarHBondContact O-N 3.3Å; L45-Q49 HydrophobicContact CD1-CG 4.11Å; L45-Q49 HydrophobicContact CG-CG 4.48Å; L45-Q49 WeakPolarHBondContact O-CB 3.38Å; L45-Q49 VanDerWaalsContact O-CG 3.32Å; L45-Q49 WeakPolarHBondContact O-CG 3.36Å; L45-Q49 PolarHBondContact O-N 2.88Å; L45-Q66 HydrophobicContact CD1-CB 4.19Å; L45-Q66 HydrophobicContact CD1-CG 4.4Å; L45-Q66 HydrophobicContact CD2-CG 4.13Å; L45-F69 HydrophobicContact CB-CD2 4.27Å; L45-F69 HydrophobicContact CB-CE2 4.25Å; L45-F69 HydrophobicContact CB-CG 4.47Å; L45-F69 HydrophobicContact CB-CZ 4.43Å; L45-F69 HydrophobicContact CD1-CB 3.74Å; L45-F69 HydrophobicContact CD1-CD1 4.47Å; L45-F69 HydrophobicContact CD1-CD2 4.03Å; L45-F69 HydrophobicContact CD1-CG 3.83Å
46E92.6Very high88.5Confident138 Ų13877.2 Ų77.265%0.64538%0.384SS*.Hα-helixtrans-63.9-46.9179.9-176.1-179.8-179.200110.6N44 F48 Q49 Q50N44-E46 VanDerWaalsContact C-N 3.32Å; N44-E46 PolarHBondContact O-N 3.14Å; N44-E46 WeakPolarHBondContact OD1-CA 3.4Å; N44-E46 WeakPolarHBondContact OD1-CB 3.45Å; N44-E46 PolarHBondContact OD1-N 2.86Å; E46-F48 VanDerWaalsContact C-N 3.33Å; E46-F48 PolarHBondContact O-N 2.93Å; E46-Q49 PolarHBondContact O-N 3.11Å; E46-Q50 WeakPolarHBondContact O-CG 3.47Å; E46-Q50 PolarHBondContact O-N 2.9Å
47E91.5Very high87.9Confident72 Ų7273 Ų7334%0.33637%0.374SS..Hα-helixtrans-62.7-40.6176.7-65168.1148.700111.4L43 N44 Q50 L51L43-E47 WeakPolarHBondContact CA-OE2 3.38Å; L43-E47 HydrophobicContact CD1-CB 3.29Å; L43-E47 HydrophobicContact CD1-CG 4.42Å; L43-E47 HydrophobicContact CG-CB 4.26Å; N44-E47 PolarHBondContact N-OE2 2.92Å; N44-E47 PolarHBondContact ND2-OE2 2.95Å; N44-E47 VanDerWaalsContact ND2-OE2 3.1Å; N44-E47 PolarHBondContact O-N 3.19Å; N44-E47 WeakPolarHBondContact OD1-CG 3.16Å; N44-E47 PolarHBondContact OD1-N 3.3Å; E47-Q50 WeakPolarHBondContact O-CB 3.42Å; E47-Q50 PolarHBondContact O-N 3.36Å; E47-L51 PolarHBondContact O-N 2.86Å
48F91.6Very high87.6Confident10 Ų1077.8 Ų77.84%0.04439%0.385CS..Hα-helixtrans-64-42176.1-171.9-103.7000111.9L43 N44 L45 E46 Q50 L51 Y52 A65 A68 F69 F72 I80L43-F48 HydrophobicContact CD2-CB 4Å; L43-F48 HydrophobicContact CD2-CD2 3.55Å; L43-F48 HydrophobicContact CD2-CG 4.26Å; L43-F48 HydrophobicContact CG-CB 4.13Å; N44-F48 WeakPolarHBondContact O-CB 3.43Å; N44-F48 PolarHBondContact O-N 3.07Å; L45-F48 PolarHBondContact O-N 3.3Å; E46-F48 VanDerWaalsContact C-N 3.33Å; E46-F48 PolarHBondContact O-N 2.93Å; F48-Q50 VanDerWaalsContact C-N 3.32Å; F48-Q50 PolarHBondContact O-N 3.47Å; F48-L51 HydrophobicContact CD2-CD1 4.48Å; F48-L51 WeakPolarHBondContact O-CB 3.33Å; F48-L51 PolarHBondContact O-N 2.96Å; F48-L51 VanDerWaalsContact O-N 3.13Å; F48-Y52 HydrophobicContact CD1-CD2 4.31Å; F48-Y52 HydrophobicContact CD1-CE2 4.15Å; F48-Y52 HydrophobicContact CE1-CD2 4.07Å; F48-Y52 AromaticContact CE1-CE2 3.46Å; F48-Y52 HydrophobicContact CE1-CE2 3.46Å; F48-Y52 VanDerWaalsContact CE1-CE2 3.46Å; F48-Y52 HydrophobicContact CE2-CE2 4.35Å; F48-Y52 HydrophobicContact CZ-CD2 4.47Å; F48-Y52 AromaticContact CZ-CE2 3.61Å; F48-Y52 HydrophobicContact CZ-CE2 3.61Å; F48-Y52 PolarHBondContact O-N 3.03Å; F48-A65 HydrophobicContact CD1-CB 4.16Å; F48-A65 WeakPolarHBondContact CD1-O 3.29Å; F48-A65 HydrophobicContact CE1-CB 4.34Å; F48-A65 VanDerWaalsContact CE1-O 3.27Å; F48-A65 WeakPolarHBondContact CE1-O 3.37Å; F48-A68 HydrophobicContact CE1-CB 3.95Å; F48-A68 HydrophobicContact CZ-CB 4.22Å; F48-F69 HydrophobicContact CB-CD2 3.75Å; F48-F69 HydrophobicContact CB-CE2 4.2Å; F48-F69 HydrophobicContact CD1-CB 3.98Å; F48-F69 AromaticContact CD1-CD2 3.94Å; F48-F69 HydrophobicContact CD1-CD2 3.94Å; F48-F69 HydrophobicContact CD1-CG 4.49Å; F48-F69 HydrophobicContact CE1-CB 4.14Å; F48-F69 AromaticContact CG-CD2 3.84Å; F48-F69 HydrophobicContact CG-CD2 3.84Å; F48-F72 HydrophobicContact CZ-CE2 4.47Å; F48-I80 HydrophobicContact CD2-CD1 3.99Å; F48-I80 HydrophobicContact CE2-CD1 4.09Å; F48-I80 HydrophobicContact CG-CD1 4.45Å
49Q91.3Very high87.3Confident48 Ų4878.7 Ų78.722%0.22440%0.396CS..Hα-helixtrans-60.9-40.1173.9-77.2177.2-22.500111.9L45 E46 L51 Y52 V53 S62 A65L45-Q49 HydrophobicContact CD1-CG 4.11Å; L45-Q49 HydrophobicContact CG-CG 4.48Å; L45-Q49 WeakPolarHBondContact O-CB 3.38Å; L45-Q49 VanDerWaalsContact O-CG 3.32Å; L45-Q49 WeakPolarHBondContact O-CG 3.36Å; L45-Q49 PolarHBondContact O-N 2.88Å; E46-Q49 PolarHBondContact O-N 3.11Å; Q49-L51 PolarHBondContact O-N 2.98Å; Q49-Y52 WeakPolarHBondContact O-CB 3.38Å; Q49-Y52 PolarHBondContact O-N 3.24Å; Q49-V53 WeakPolarHBondContact O-CG2 3.37Å; Q49-V53 PolarHBondContact O-N 2.61Å; Q49-S62 PolarHBondContact NE2-O 3.22Å; Q49-A65 HydrophobicContact CB-CB 4.46Å; Q49-A65 HydrophobicContact CG-CB 3.75Å
50Q87.8Confident87.3Confident105 Ų10578 Ų7849%0.49139%0.387SS..Hα-helixtrans-62.4-28.4175.8-68.4-61.3-30.700112.9E46 E47 F48 K54E46-Q50 WeakPolarHBondContact O-CG 3.47Å; E46-Q50 PolarHBondContact O-N 2.9Å; E47-Q50 WeakPolarHBondContact O-CB 3.42Å; E47-Q50 PolarHBondContact O-N 3.36Å; F48-Q50 VanDerWaalsContact C-N 3.32Å; F48-Q50 PolarHBondContact O-N 3.47Å; Q50-K54 WeakPolarHBondContact O-CG 3.46Å
51L85.3Confident87.1Confident60 Ų6074.1 Ų74.131%0.31436%0.36SS..Hα-helixtrans-64.8-44.7171.7-61.1177.2000110.9L43 E47 F48 Q49 K54 F55L43-L51 HydrophobicContact CD2-CD1 3.98Å; E47-L51 PolarHBondContact O-N 2.86Å; F48-L51 HydrophobicContact CD2-CD1 4.48Å; F48-L51 WeakPolarHBondContact O-CB 3.33Å; F48-L51 PolarHBondContact O-N 2.96Å; F48-L51 VanDerWaalsContact O-N 3.13Å; Q49-L51 PolarHBondContact O-N 2.98Å; L51-K54 WeakPolarHBondContact O-CB 3.47Å; L51-K54 PolarHBondContact O-N 2.95Å; L51-F55 WeakPolarHBondContact O-CD2 3.46Å
52Y83.2Confident87.1Confident47 Ų4775 Ų7518%0.18436%0.363CS..Hα-helixtrans-65.8-38.8178.7-88.1-98.5000113.2F48 Q49 K54 F55 F56 A61 F64 A65 M131F48-Y52 HydrophobicContact CD1-CD2 4.31Å; F48-Y52 HydrophobicContact CD1-CE2 4.15Å; F48-Y52 HydrophobicContact CE1-CD2 4.07Å; F48-Y52 AromaticContact CE1-CE2 3.46Å; F48-Y52 HydrophobicContact CE1-CE2 3.46Å; F48-Y52 VanDerWaalsContact CE1-CE2 3.46Å; F48-Y52 HydrophobicContact CE2-CE2 4.35Å; F48-Y52 HydrophobicContact CZ-CD2 4.47Å; F48-Y52 AromaticContact CZ-CE2 3.61Å; F48-Y52 HydrophobicContact CZ-CE2 3.61Å; F48-Y52 PolarHBondContact O-N 3.03Å; Q49-Y52 WeakPolarHBondContact O-CB 3.38Å; Q49-Y52 PolarHBondContact O-N 3.24Å; Y52-K54 PolarHBondContact O-N 2.85Å; Y52-F55 PolarHBondContact O-N 3.37Å; Y52-F56 HydrophobicContact CD1-CD2 4.16Å; Y52-F56 HydrophobicContact CD1-CE2 4.13Å; Y52-F56 HydrophobicContact CE1-CE2 4.49Å; Y52-F56 PolarHBondContact O-N 2.75Å; Y52-A61 HydrophobicContact CD1-CB 4.17Å; Y52-A61 HydrophobicContact CG-CB 4.34Å; Y52-F64 HydrophobicContact CD1-CD1 4.24Å; Y52-F64 AromaticContact CE1-CD1 3.56Å; Y52-F64 HydrophobicContact CE1-CD1 3.56Å; Y52-F64 AromaticContact CE1-CE1 3.7Å; Y52-F64 HydrophobicContact CE1-CE1 3.7Å; Y52-A65 HydrophobicContact CD1-CB 4.46Å; Y52-A65 HydrophobicContact CD2-CB 3.73Å; Y52-A65 HydrophobicContact CE2-CB 4.22Å; Y52-A65 HydrophobicContact CG-CB 3.86Å; Y52-M131 HydrophobicContact CD1-SD 4.05Å; Y52-M131 HydrophobicContact CE1-SD 4.2Å
53V85Confident87Confident71 Ų7173.4 Ų73.443%0.4336%0.359SS..Hα-helixtrans-57.5-34.6176.9172.40000111.7Q49 F55 F56 P57Q49-V53 WeakPolarHBondContact O-CG2 3.37Å; Q49-V53 PolarHBondContact O-N 2.61Å; V53-F55 VanDerWaalsContact C-N 3.3Å; V53-F55 PolarHBondContact O-N 3.41Å; V53-F56 CarbonylContact O-C 3.44Å; V53-P57 WeakPolarHBondContact O-CA 3.37Å
54K82Confident86.8Confident157 Ų15774.3 Ų74.368%0.68336%0.363SS*.Hα-helixtrans-66.5-31.2176.6-66.6172.9-174.1172.80113Q50 L51 Y52Q50-K54 WeakPolarHBondContact O-CG 3.46Å; L51-K54 WeakPolarHBondContact O-CB 3.47Å; L51-K54 PolarHBondContact O-N 2.95Å; Y52-K54 PolarHBondContact O-N 2.85Å
55F77.8Confident86.7Confident160 Ų16071.6 Ų71.670%0.70235%0.348SS*.Hα-helixtrans-88.2-32.3179.7-67.9-70.7000113L51 Y52 V53 P57L51-F55 WeakPolarHBondContact O-CD2 3.46Å; Y52-F55 PolarHBondContact O-N 3.37Å; V53-F55 VanDerWaalsContact C-N 3.3Å; V53-F55 PolarHBondContact O-N 3.41Å; F55-P57 VanDerWaalsContact O-CD 3.29Å; F55-P57 WeakPolarHBondContact O-CD 3.3Å
56F76.5Confident86.7Confident39 Ų3973.9 Ų73.917%0.17136%0.357CS..  trans-121.661.7-178.4-59.4-84.1000111.4Y52 V53 Y58 G59 A61 M131 I189Y52-F56 HydrophobicContact CD1-CD2 4.16Å; Y52-F56 HydrophobicContact CD1-CE2 4.13Å; Y52-F56 HydrophobicContact CE1-CE2 4.49Å; Y52-F56 PolarHBondContact O-N 2.75Å; V53-F56 CarbonylContact O-C 3.44Å; F56-Y58 PolarHBondContact O-N 3.3Å; F56-Y58 VanDerWaalsContact O-N 3.07Å; F56-G59 PolarHBondContact O-N 2.79Å; F56-A61 HydrophobicContact CB-CB 4.4Å; F56-M131 HydrophobicContact CB-CG 4.21Å; F56-M131 HydrophobicContact CD1-CG 3.97Å; F56-M131 HydrophobicContact CD2-CG 3.96Å; F56-M131 HydrophobicContact CD2-SD 3.92Å; F56-M131 HydrophobicContact CE1-CE 4.32Å; F56-M131 HydrophobicContact CE1-CG 4.32Å; F56-M131 HydrophobicContact CE1-SD 4.45Å; F56-M131 HydrophobicContact CE2-CE 4.38Å; F56-M131 HydrophobicContact CE2-CG 4.32Å; F56-M131 HydrophobicContact CE2-SD 3.79Å; F56-M131 HydrophobicContact CG-CG 3.77Å; F56-M131 HydrophobicContact CG-SD 4.32Å; F56-M131 HydrophobicContact CZ-CE 4.06Å; F56-M131 HydrophobicContact CZ-CG 4.49Å; F56-M131 HydrophobicContact CZ-SD 4.07Å; F56-I189 HydrophobicContact CE1-CG2 3.85Å; F56-I189 HydrophobicContact CZ-CD1 4.41Å; F56-I189 HydrophobicContact CZ-CG2 3.92Å
57P77.1Confident86.7Confident81 Ų8167.8 Ų67.853%0.52633%0.329SS..THydrogen-bonded Turntrans-67.3-13.6-172.327.6-36.2000114.2V53 F55V53-P57 WeakPolarHBondContact O-CA 3.37Å; F55-P57 VanDerWaalsContact O-CD 3.29Å; F55-P57 WeakPolarHBondContact O-CD 3.3Å
58Y79.6Confident86.7Confident215 Ų21564.4 Ų64.484%0.84331%0.313SS*.THydrogen-bonded Turntrans-106.8-1-176.3-55.7-68.5000114F56F56-Y58 PolarHBondContact O-N 3.3Å; F56-Y58 VanDerWaalsContact O-N 3.07Å
59G82.7Confident86.9Confident28 Ų2864.5 Ų64.529%0.28931%0.314SS..SBendtrans-124.4-175.6176.300000111.9F56 M131F56-G59 PolarHBondContact O-N 2.79Å; G59-M131 WeakPolarHBondContact CA-O 3.5Å
60D88.3Confident87Confident80 Ų8066 Ų6643%0.42832%0.317SS..  trans-110.895.4175.2179.28.1000109.7S62 K130 M131D60-S62 VanDerWaalsContact C-N 3.3Å; D60-S62 WeakPolarHBondContact OD1-CB 3.42Å; D60-S62 PolarHBondContact OD1-N 3.2Å; D60-S62 PolarHBondContact OD1-OG 3.09Å; D60-S62 PolarHBondContact OD2-OG 3.21Å; D60-K130 HydrophobicContact CB-CB 4.43Å; D60-K130 PolarHBondContact N-O 3.28Å; D60-K130 CarbonylContact O-C 3.58Å; D60-M131 VanDerWaalsContact O-CA 3.28Å; D60-M131 WeakPolarHBondContact O-CA 3.45Å; D60-M131 PolarHBondContact O-N 3.05Å
61A88.4Confident87.1Confident4 Ų461.2 Ų61.23%0.03330%0.295CS..  trans-84.1-0.4179.400000113.5Y52 F56 K63 F64 A65 M131Y52-A61 HydrophobicContact CD1-CB 4.17Å; Y52-A61 HydrophobicContact CG-CB 4.34Å; F56-A61 HydrophobicContact CB-CB 4.4Å; A61-K63 PolarHBondContact O-N 2.89Å; A61-F64 PolarHBondContact O-N 3.3Å; A61-A65 WeakPolarHBondContact O-CB 3.38Å; A61-A65 PolarHBondContact O-N 3.44Å; A61-M131 HydrophobicContact CB-CB 4.35Å; A61-M131 HydrophobicContact CB-CG 3.7Å; A61-M131 HydrophobicContact CB-SD 4.16Å
62S91.5Very high87.5Confident38 Ų3859.3 Ų59.327%0.26628%0.284SS..Hα-helixtrans-59-49-169.161.30000113Q49 D60 Q66Q49-S62 PolarHBondContact NE2-O 3.22Å; D60-S62 VanDerWaalsContact C-N 3.3Å; D60-S62 WeakPolarHBondContact OD1-CB 3.42Å; D60-S62 PolarHBondContact OD1-N 3.2Å; D60-S62 PolarHBondContact OD1-OG 3.09Å; D60-S62 PolarHBondContact OD2-OG 3.21Å; S62-Q66 PolarHBondContact O-N 3.47Å
63K91.8Very high88Confident75 Ų7558.1 Ų58.133%0.32628%0.281SS..Hα-helixtrans-64.6-46.8177.3-75.3-165.6167.4-149.90112.2A61 A65 Q66 H67 A127A61-K63 PolarHBondContact O-N 2.89Å; K63-A65 VanDerWaalsContact C-N 3.32Å; K63-A65 PolarHBondContact O-N 3.1Å; K63-Q66 WeakPolarHBondContact O-CB 3.49Å; K63-Q66 PolarHBondContact O-N 3.43Å; K63-Q66 VanDerWaalsContact O-N 3.1Å; K63-H67 PolarHBondContact O-CD2 3.05Å; K63-H67 PolarHBondContact O-N 3.08Å; K63-H67 VanDerWaalsContact O-N 3.08Å; K63-A127 HydrophobicContact CB-CB 3.82Å
64F91.1Very high88.3Confident25 Ų2560.7 Ų60.711%0.1129%0.286CS..Hα-helixtrans-62.2-43.9179.7-176.3-93.5000111Y52 A61 Q66 H67 A68 M107 A127 I128 M131Y52-F64 HydrophobicContact CD1-CD1 4.24Å; Y52-F64 AromaticContact CE1-CD1 3.56Å; Y52-F64 HydrophobicContact CE1-CD1 3.56Å; Y52-F64 AromaticContact CE1-CE1 3.7Å; Y52-F64 HydrophobicContact CE1-CE1 3.7Å; A61-F64 PolarHBondContact O-N 3.3Å; F64-Q66 VanDerWaalsContact C-N 3.27Å; F64-Q66 PolarHBondContact O-N 3.07Å; F64-H67 PolarHBondContact O-N 3.26Å; F64-A68 HydrophobicContact CE1-CB 4.48Å; F64-A68 WeakPolarHBondContact O-CB 3.18Å; F64-A68 PolarHBondContact O-N 2.92Å; F64-M107 HydrophobicContact CE2-SD 3.95Å; F64-M107 HydrophobicContact CZ-CE 4.25Å; F64-M107 HydrophobicContact CZ-SD 3.9Å; F64-A127 HydrophobicContact CB-CB 4.21Å; F64-I128 HydrophobicContact CD2-CG1 3.57Å; F64-I128 HydrophobicContact CE2-CD1 4.16Å; F64-I128 HydrophobicContact CE2-CG1 3.62Å; F64-M131 HydrophobicContact CB-CB 4.38Å; F64-M131 HydrophobicContact CB-SD 3.93Å; F64-M131 HydrophobicContact CD1-CE 3.95Å; F64-M131 HydrophobicContact CD1-SD 3.43Å; F64-M131 WeakPolarHBondContact CD1-SD 3.29Å; F64-M131 HydrophobicContact CD2-CE 4.4Å; F64-M131 HydrophobicContact CE1-CE 4.17Å; F64-M131 HydrophobicContact CE1-SD 4.1Å; F64-M131 HydrophobicContact CG-CE 4.07Å; F64-M131 HydrophobicContact CG-SD 3.72Å; F64-M131 HydrophobicContact CZ-CE 4.48Å
65A92.2Very high88.9Confident0 Ų057.6 Ų57.60%028%0.277CS..Hα-helixtrans-61-35.2174.600000112F48 Q49 Y52 A61 K63 F69F48-A65 HydrophobicContact CD1-CB 4.16Å; F48-A65 WeakPolarHBondContact CD1-O 3.29Å; F48-A65 HydrophobicContact CE1-CB 4.34Å; F48-A65 VanDerWaalsContact CE1-O 3.27Å; F48-A65 WeakPolarHBondContact CE1-O 3.37Å; Q49-A65 HydrophobicContact CB-CB 4.46Å; Q49-A65 HydrophobicContact CG-CB 3.75Å; Y52-A65 HydrophobicContact CD1-CB 4.46Å; Y52-A65 HydrophobicContact CD2-CB 3.73Å; Y52-A65 HydrophobicContact CE2-CB 4.22Å; Y52-A65 HydrophobicContact CG-CB 3.86Å; A61-A65 WeakPolarHBondContact O-CB 3.38Å; A61-A65 PolarHBondContact O-N 3.44Å; K63-A65 VanDerWaalsContact C-N 3.32Å; K63-A65 PolarHBondContact O-N 3.1Å; A65-F69 VanDerWaalsContact O-CB 3.23Å; A65-F69 WeakPolarHBondContact O-CB 3.42Å; A65-F69 PolarHBondContact O-N 3.19Å
66Q94Very high89.6Confident99 Ų9952.8 Ų52.846%0.46327%0.273SS..Hα-helixtrans-64.3-44.9174-175.1179.516.200112.6L45 S62 K63 F64 F69 R70L45-Q66 HydrophobicContact CD1-CB 4.19Å; L45-Q66 HydrophobicContact CD1-CG 4.4Å; L45-Q66 HydrophobicContact CD2-CG 4.13Å; S62-Q66 PolarHBondContact O-N 3.47Å; K63-Q66 WeakPolarHBondContact O-CB 3.49Å; K63-Q66 PolarHBondContact O-N 3.43Å; K63-Q66 VanDerWaalsContact O-N 3.1Å; F64-Q66 VanDerWaalsContact C-N 3.27Å; F64-Q66 PolarHBondContact O-N 3.07Å; Q66-F69 WeakPolarHBondContact O-CB 3.5Å; Q66-F69 PolarHBondContact O-N 2.76Å; Q66-R70 PolarHBondContact O-N 3.48Å; Q66-R70 VanDerWaalsContact O-N 3.16Å
67H92.7Very high90.5Very high10 Ų1054.4 Ų54.45%0.04628%0.283CS..Hα-helixtrans-68.2-39.6176.5-61.2-61.8000112.2K63 F64 F69 R70 T71 E123 I124K63-H67 PolarHBondContact O-CD2 3.05Å; K63-H67 PolarHBondContact O-N 3.08Å; K63-H67 VanDerWaalsContact O-N 3.08Å; F64-H67 PolarHBondContact O-N 3.26Å; H67-F69 VanDerWaalsContact C-N 3.31Å; H67-F69 PolarHBondContact O-N 3.24Å; H67-R70 PolarHBondContact O-N 3.35Å; H67-T71 PolarHBondContact O-N 2.85Å; H67-E123 IonicContact CE1-OE1 3.73Å; H67-E123 PolarHBondContact CE1-OE1 3Å; H67-E123 VanDerWaalsContact CE1-OE1 3.25Å; H67-E123 IonicContact NE2-OE1 2.79Å; H67-E123 PolarHBondContact NE2-OE1 3.31Å; H67-I124 HydrophobicContact CB-CD1 3.58Å; H67-I124 VanDerWaalsContact CD2-CD1 3.43Å; H67-I124 WeakPolarHBondContact CD2-CD1 3.36Å
68A91.8Very high91.4Very high0 Ų052.4 Ų52.40%028%0.278CS..Hα-helixtrans-62.9-38.8172.600000111.7F48 F64 R70 T71 F72 M107F48-A68 HydrophobicContact CE1-CB 3.95Å; F48-A68 HydrophobicContact CZ-CB 4.22Å; F64-A68 HydrophobicContact CE1-CB 4.48Å; F64-A68 WeakPolarHBondContact O-CB 3.18Å; F64-A68 PolarHBondContact O-N 2.92Å; A68-R70 VanDerWaalsContact C-N 3.34Å; A68-R70 PolarHBondContact O-N 3.32Å; A68-T71 PolarHBondContact O-N 2.79Å; A68-T71 VanDerWaalsContact O-N 3.13Å; A68-T71 PolarHBondContact O-OG1 2.88Å; A68-F72 WeakPolarHBondContact O-CD2 3.46Å; A68-F72 PolarHBondContact O-N 3.48Å; A68-M107 HydrophobicContact CB-CE 3.85Å
69F93.9Very high92.2Very high13 Ų1343.6 Ų43.66%0.05725%0.247CC..Hα-helixtrans-58.3-46.3175.9-171.9-82.9000111.4L45 F48 A65 Q66 H67 T71 F72 D73 G78 I80L45-F69 HydrophobicContact CB-CD2 4.27Å; L45-F69 HydrophobicContact CB-CE2 4.25Å; L45-F69 HydrophobicContact CB-CG 4.47Å; L45-F69 HydrophobicContact CB-CZ 4.43Å; L45-F69 HydrophobicContact CD1-CB 3.74Å; L45-F69 HydrophobicContact CD1-CD1 4.47Å; L45-F69 HydrophobicContact CD1-CD2 4.03Å; L45-F69 HydrophobicContact CD1-CG 3.83Å; F48-F69 HydrophobicContact CB-CD2 3.75Å; F48-F69 HydrophobicContact CB-CE2 4.2Å; F48-F69 HydrophobicContact CD1-CB 3.98Å; F48-F69 AromaticContact CD1-CD2 3.94Å; F48-F69 HydrophobicContact CD1-CD2 3.94Å; F48-F69 HydrophobicContact CD1-CG 4.49Å; F48-F69 HydrophobicContact CE1-CB 4.14Å; F48-F69 AromaticContact CG-CD2 3.84Å; F48-F69 HydrophobicContact CG-CD2 3.84Å; A65-F69 VanDerWaalsContact O-CB 3.23Å; A65-F69 WeakPolarHBondContact O-CB 3.42Å; A65-F69 PolarHBondContact O-N 3.19Å; Q66-F69 WeakPolarHBondContact O-CB 3.5Å; Q66-F69 PolarHBondContact O-N 2.76Å; H67-F69 VanDerWaalsContact C-N 3.31Å; H67-F69 PolarHBondContact O-N 3.24Å; F69-T71 PolarHBondContact O-N 3.41Å; F69-F72 PolarHBondContact O-N 3.34Å; F69-D73 HydrophobicContact CD1-CB 4.14Å; F69-D73 HydrophobicContact CE1-CB 3.87Å; F69-D73 WeakPolarHBondContact O-CB 3.43Å; F69-D73 PolarHBondContact O-N 3.16Å; F69-G78 WeakPolarHBondContact CZ-O 3.4Å; F69-I80 HydrophobicContact CD2-CD1 3.37Å; F69-I80 HydrophobicContact CD2-CG1 4Å; F69-I80 HydrophobicContact CE1-CG1 4.39Å; F69-I80 HydrophobicContact CE2-CD1 3.46Å; F69-I80 VanDerWaalsContact CE2-CD1 3.46Å; F69-I80 HydrophobicContact CE2-CG1 3.63Å; F69-I80 HydrophobicContact CG-CD1 4.01Å; F69-I80 HydrophobicContact CZ-CD1 4.16Å; F69-I80 HydrophobicContact CZ-CG1 3.85Å
70R93.5Very high92.9Very high80 Ų8042.3 Ų42.330%0.30223%0.233SC..Hα-helixtrans-56.8-34.8176.6-173.7-169.567.2-135.2-6.8112.7Q66 H67 A68 F72 N106 M107 D109 L110Q66-R70 PolarHBondContact O-N 3.48Å; Q66-R70 VanDerWaalsContact O-N 3.16Å; H67-R70 PolarHBondContact O-N 3.35Å; A68-R70 VanDerWaalsContact C-N 3.34Å; A68-R70 PolarHBondContact O-N 3.32Å; R70-F72 VanDerWaalsContact C-N 3.34Å; R70-N106 PolarHBondContact NH2-O 3.24Å; R70-M107 PolarHBondContact NH2-O 2.76Å; R70-D109 PolarHBondContact NH2-O 2.94Å; R70-L110 VanDerWaalsContact NH1-CA 3.34Å; R70-L110 PolarHBondContact NH1-O 2.79Å; R70-L110 VanDerWaalsContact NH2-CD2 3.27Å
71T90.9Very high93.2Very high4 Ų440.5 Ų40.53%0.02522%0.223CC..Hα-helixtrans-78.5-21.6179.465.60000113.4H67 A68 F69 K74 W103 N106 M107H67-T71 PolarHBondContact O-N 2.85Å; A68-T71 PolarHBondContact O-N 2.79Å; A68-T71 VanDerWaalsContact O-N 3.13Å; A68-T71 PolarHBondContact O-OG1 2.88Å; F69-T71 PolarHBondContact O-N 3.41Å; T71-K74 VanDerWaalsContact O-CE 3.28Å; T71-K74 WeakPolarHBondContact O-CE 3.13Å; T71-K74 PolarHBondContact O-NZ 3.41Å; T71-W103 WeakPolarHBondContact OG1-CZ2 3.3Å; T71-N106 WeakPolarHBondContact CG2-O 3.31Å; T71-M107 VanDerWaalsContact CG2-CA 3.5Å; T71-M107 HydrophobicContact CG2-CB 3.94Å
72F93Very high93.5Very high20 Ų2040.9 Ų40.99%0.08822%0.224CC..Hα-helixtrans-82.9-46.4173.8-83.8-119.2000111.9F48 A68 F69 R70 K74 I80 E84 F85 A88 W103F48-F72 HydrophobicContact CZ-CE2 4.47Å; A68-F72 WeakPolarHBondContact O-CD2 3.46Å; A68-F72 PolarHBondContact O-N 3.48Å; F69-F72 PolarHBondContact O-N 3.34Å; R70-F72 VanDerWaalsContact C-N 3.34Å; F72-K74 PolarHBondContact O-N 2.9Å; F72-I80 HydrophobicContact CB-CD1 3.41Å; F72-I80 VanDerWaalsContact CB-CD1 3.41Å; F72-I80 HydrophobicContact CB-CG1 3.8Å; F72-I80 HydrophobicContact CB-CG2 4.39Å; F72-I80 HydrophobicContact CD1-CD1 4.19Å; F72-I80 HydrophobicContact CD1-CG2 4.33Å; F72-I80 HydrophobicContact CG-CD1 4.06Å; F72-E84 WeakPolarHBondContact O-CB 3.13Å; F72-F85 HydrophobicContact CE1-CD2 4.21Å; F72-A88 HydrophobicContact CD1-CB 3.44Å; F72-A88 VanDerWaalsContact CD1-CB 3.44Å; F72-A88 HydrophobicContact CD2-CB 3.96Å; F72-A88 HydrophobicContact CE1-CB 3.42Å; F72-A88 VanDerWaalsContact CE1-CB 3.42Å; F72-A88 HydrophobicContact CE2-CB 3.99Å; F72-A88 HydrophobicContact CG-CB 3.72Å; F72-A88 HydrophobicContact CZ-CB 3.71Å; F72-W103 HydrophobicContact CD2-CZ2 4.26Å; F72-W103 AromaticContact CE2-CZ2 3.77Å; F72-W103 HydrophobicContact CE2-CZ2 3.77Å
73D94.8Very high93.7Very high21 Ų2144 Ų4411%0.11223%0.23CC..  trans-69.788.6178.1-179.73000110.1F69 N75 G76 D77 G78 I80F69-D73 HydrophobicContact CD1-CB 4.14Å; F69-D73 HydrophobicContact CE1-CB 3.87Å; F69-D73 WeakPolarHBondContact O-CB 3.43Å; F69-D73 PolarHBondContact O-N 3.16Å; D73-N75 PolarHBondContact OD1-OD1 2.76Å; D73-G76 WeakPolarHBondContact OD1-CA 3.34Å; D73-G76 PolarHBondContact OD1-N 2.92Å; D73-D77 PolarHBondContact OD1-N 2.97Å; D73-D77 VanDerWaalsContact OD1-N 3.13Å; D73-D77 PolarHBondContact OD2-N 2.83Å; D73-G78 WeakPolarHBondContact OD2-CA 3.41Å; D73-G78 PolarHBondContact OD2-N 3.4Å; D73-I80 HydrophobicContact CB-CG1 4.41Å
74K91.2Very high93.9Very high125 Ų12541 Ų4154%0.54322%0.217SC..SBendtrans-79-27.9-174-70.4-54.1-174.5-160.90112.1T71 F72 E84T71-K74 VanDerWaalsContact O-CE 3.28Å; T71-K74 WeakPolarHBondContact O-CE 3.13Å; T71-K74 PolarHBondContact O-NZ 3.41Å; F72-K74 PolarHBondContact O-N 2.9Å; K74-E84 HydrophobicContact CB-CG 4.49Å; K74-E84 PolarHBondContact N-OE1 3.44Å
75N93.1Very high94.1Very high92 Ų9241.7 Ų41.749%0.49222%0.22SC..SBendtrans-92.4-10.9-179.2729.7000112.8D73 D77 E84D73-N75 PolarHBondContact OD1-OD1 2.76Å; N75-D77 VanDerWaalsContact C-N 3.33Å; N75-D77 PolarHBondContact ND2-OD2 3.26Å; N75-D77 WeakPolarHBondContact OD1-CB 3.34Å; N75-D77 PolarHBondContact OD1-N 3.31Å; N75-D77 PolarHBondContact OD1-OD2 3.39Å; N75-E84 PolarHBondContact N-OE1 3.13Å
76G93.4Very high94.2Very high60 Ų6041.7 Ų41.762%0.61922%0.22SC*.  trans71.624.6178.800000113.3D73 G78D73-G76 WeakPolarHBondContact OD1-CA 3.34Å; D73-G76 PolarHBondContact OD1-N 2.92Å; G76-G78 VanDerWaalsContact C-N 3.26Å; G76-G78 PolarHBondContact O-N 3.1Å
77D96Very high94.3Very high72 Ų7238.1 Ų38.139%0.38521%0.206SC..SBendtrans-83.2-2.1-176.480.919000113.6R42 D73 N75 T79R42-D77 IonicContact CZ-OD2 3.38Å; R42-D77 IonicContact NH1-OD1 3.17Å; R42-D77 IonicContact NH1-OD2 2.85Å; R42-D77 PolarHBondContact NH1-OD2 3.01Å; D73-D77 PolarHBondContact OD1-N 2.97Å; D73-D77 VanDerWaalsContact OD1-N 3.13Å; D73-D77 PolarHBondContact OD2-N 2.83Å; N75-D77 VanDerWaalsContact C-N 3.33Å; N75-D77 PolarHBondContact ND2-OD2 3.26Å; N75-D77 WeakPolarHBondContact OD1-CB 3.34Å; N75-D77 PolarHBondContact OD1-N 3.31Å; N75-D77 PolarHBondContact OD1-OD2 3.39Å; D77-T79 VanDerWaalsContact C-N 3.29Å; D77-T79 WeakPolarHBondContact OD1-CA 3.44Å; D77-T79 WeakPolarHBondContact OD1-CB 3.21Å; D77-T79 PolarHBondContact OD1-N 3.06Å; D77-T79 VanDerWaalsContact OD1-O 3.06Å; D77-T79 PolarHBondContact OD1-OG1 2.77Å
78G95.6Very high94.3Very high40 Ų4037.8 Ų37.841%0.41221%0.205SC..SBendtrans81.47.6179.900000113.4F69 D73 G76F69-G78 WeakPolarHBondContact CZ-O 3.4Å; D73-G78 WeakPolarHBondContact OD2-CA 3.41Å; D73-G78 PolarHBondContact OD2-N 3.4Å; G76-G78 VanDerWaalsContact C-N 3.26Å; G76-G78 PolarHBondContact O-N 3.1Å
79T96.4Very high94.3Very high30 Ų3039.5 Ų39.518%0.18421%0.214CC..EExtended strand (participates in β ladder)trans-133.4153.8174.267.90000110.7R42 L43 D77R42-T79 PolarHBondContact NH1-OG1 3.4Å; L43-T79 CarbonylContact O-C 3.29Å; L43-T79 WeakPolarHBondContact O-CA 3.45Å; D77-T79 VanDerWaalsContact C-N 3.29Å; D77-T79 WeakPolarHBondContact OD1-CA 3.44Å; D77-T79 WeakPolarHBondContact OD1-CB 3.21Å; D77-T79 PolarHBondContact OD1-N 3.06Å; D77-T79 VanDerWaalsContact OD1-O 3.06Å; D77-T79 PolarHBondContact OD1-OG1 2.77Å
80I96.3Very high94.3Very high0 Ų039.2 Ų39.20%021%0.214CC..EExtended strand (participates in β ladder)trans-104.3114.9171-63.5165.2000107.4L43 F48 F69 F72 D73 E84 F85L43-I80 HydrophobicContact CB-CB 4.34Å; L43-I80 PolarHBondContact N-O 3.32Å; L43-I80 PolarHBondContact O-N 3.01Å; F48-I80 HydrophobicContact CD2-CD1 3.99Å; F48-I80 HydrophobicContact CE2-CD1 4.09Å; F48-I80 HydrophobicContact CG-CD1 4.45Å; F69-I80 HydrophobicContact CD2-CD1 3.37Å; F69-I80 HydrophobicContact CD2-CG1 4Å; F69-I80 HydrophobicContact CE1-CG1 4.39Å; F69-I80 HydrophobicContact CE2-CD1 3.46Å; F69-I80 VanDerWaalsContact CE2-CD1 3.46Å; F69-I80 HydrophobicContact CE2-CG1 3.63Å; F69-I80 HydrophobicContact CG-CD1 4.01Å; F69-I80 HydrophobicContact CZ-CD1 4.16Å; F69-I80 HydrophobicContact CZ-CG1 3.85Å; F72-I80 HydrophobicContact CB-CD1 3.41Å; F72-I80 VanDerWaalsContact CB-CD1 3.41Å; F72-I80 HydrophobicContact CB-CG1 3.8Å; F72-I80 HydrophobicContact CB-CG2 4.39Å; F72-I80 HydrophobicContact CD1-CD1 4.19Å; F72-I80 HydrophobicContact CD1-CG2 4.33Å; F72-I80 HydrophobicContact CG-CD1 4.06Å; D73-I80 HydrophobicContact CB-CG1 4.41Å; I80-E84 WeakPolarHBondContact CA-OE2 3.3Å; I80-E84 HydrophobicContact CG2-CB 3.9Å; I80-F85 HydrophobicContact CG2-CB 3.84Å
81D95.6Very high94.1Very high42 Ų4237.6 Ų37.623%0.22521%0.21CC..EExtended strand (participates in β ladder)trans-80.3173.7170.879.823.1000112R83 E84 F85D81-R83 VanDerWaalsContact C-N 3.26Å; D81-R83 PolarHBondContact O-N 3.23Å; D81-R83 VanDerWaalsContact OD1-CA 3.32Å; D81-R83 WeakPolarHBondContact OD1-CA 3.28Å; D81-R83 VanDerWaalsContact OD1-CB 3.26Å; D81-R83 WeakPolarHBondContact OD1-CB 3.33Å; D81-R83 PolarHBondContact OD1-N 2.84Å; D81-E84 PolarHBondContact N-OE2 2.96Å; D81-E84 PolarHBondContact O-N 3.19Å; D81-E84 PolarHBondContact OD1-N 3.42Å; D81-F85 WeakPolarHBondContact O-CB 3.21Å; D81-F85 PolarHBondContact O-N 3.11Å
82F95.5Very high93.9Very high12 Ų1239.8 Ų39.85%0.05322%0.224CC..Hα-helixtrans-61.3-35.1-179.5179.9-110.7000113.2L8 L16 W30 Y31 F34 F85 I86L8-F82 HydrophobicContact CD1-CD1 4.4Å; L8-F82 HydrophobicContact CD1-CE1 3.85Å; L8-F82 HydrophobicContact CD2-CD1 4.01Å; L8-F82 HydrophobicContact CD2-CE1 4.3Å; L16-F82 HydrophobicContact CD1-CD1 4.02Å; L16-F82 HydrophobicContact CD1-CE1 3.73Å; W30-F82 HydrophobicContact CB-CE2 3.98Å; W30-F82 HydrophobicContact CB-CZ 3.97Å; Y31-F82 VanDerWaalsContact CA-CE2 3.41Å; Y31-F82 HydrophobicContact CD2-CB 4.09Å; Y31-F82 AromaticContact CD2-CD1 3.46Å; Y31-F82 HydrophobicContact CD2-CD1 3.46Å; Y31-F82 VanDerWaalsContact CD2-CD1 3.46Å; Y31-F82 AromaticContact CD2-CD2 3.84Å; Y31-F82 HydrophobicContact CD2-CD2 3.84Å; Y31-F82 AromaticContact CD2-CE1 3.77Å; Y31-F82 HydrophobicContact CD2-CE1 3.77Å; Y31-F82 HydrophobicContact CD2-CE2 4.13Å; Y31-F82 AromaticContact CD2-CG 3.49Å; Y31-F82 HydrophobicContact CD2-CG 3.49Å; Y31-F82 VanDerWaalsContact CD2-CG 3.49Å; Y31-F82 HydrophobicContact CD2-CZ 4.09Å; Y31-F82 HydrophobicContact CE2-CB 4.16Å; Y31-F82 HydrophobicContact CE2-CD1 4.1Å; Y31-F82 HydrophobicContact CE2-CG 4.05Å; Y31-F82 HydrophobicContact CG-CD1 4.35Å; Y31-F82 HydrophobicContact CG-CE1 4.23Å; Y31-F82 HydrophobicContact CG-CZ 4.36Å; F34-F82 HydrophobicContact CB-CD2 3.7Å; F34-F82 HydrophobicContact CB-CE2 4.02Å; F34-F82 HydrophobicContact CD1-CB 4.04Å; F34-F82 AromaticContact CD1-CD2 3.93Å; F34-F82 HydrophobicContact CD1-CD2 3.93Å; F34-F82 HydrophobicContact CD1-CG 4.44Å; F34-F82 HydrophobicContact CD2-CD2 4.13Å; F34-F82 HydrophobicContact CE1-CB 4.05Å; F34-F82 AromaticContact CG-CD2 3.66Å; F34-F82 HydrophobicContact CG-CD2 3.66Å; F34-F82 HydrophobicContact CG-CE2 4.41Å; F82-F85 HydrophobicContact CD2-CD1 4.34Å; F82-F85 HydrophobicContact CE2-CD1 4.37Å; F82-I86 HydrophobicContact CE1-CB 4.44Å; F82-I86 HydrophobicContact CE1-CG2 4.28Å; F82-I86 HydrophobicContact CE2-CB 4.37Å; F82-I86 HydrophobicContact CZ-CB 4.18Å; F82-I86 HydrophobicContact CZ-CG1 4.24Å; F82-I86 WeakPolarHBondContact O-CB 3.35Å; F82-I86 VanDerWaalsContact O-CG2 3.25Å; F82-I86 WeakPolarHBondContact O-CG2 3.27Å; F82-I86 PolarHBondContact O-N 3.39Å
83R95.7Very high93.7Very high105 Ų10541.5 Ų41.540%0.39624%0.238SC..Hα-helixtrans-68.1-45.3-179.5177.8176.2-165.8-68.4-4.8110.1D15 L16 D81 I86 C87D15-R83 IonicContact OD1-NH2 2.68Å; D15-R83 IonicContact OD2-CZ 3.66Å; D15-R83 IonicContact OD2-NE 3.25Å; D15-R83 PolarHBondContact OD2-NE 3.49Å; D15-R83 IonicContact OD2-NH2 3.96Å; D15-R83 PolarHBondContact OD2-NH2 3.3Å; L16-R83 HydrophobicContact CD2-CB 4.14Å; L16-R83 HydrophobicContact CD2-CG 3.76Å; D81-R83 VanDerWaalsContact C-N 3.26Å; D81-R83 PolarHBondContact O-N 3.23Å; D81-R83 VanDerWaalsContact OD1-CA 3.32Å; D81-R83 WeakPolarHBondContact OD1-CA 3.28Å; D81-R83 VanDerWaalsContact OD1-CB 3.26Å; D81-R83 WeakPolarHBondContact OD1-CB 3.33Å; D81-R83 PolarHBondContact OD1-N 2.84Å; R83-I86 WeakPolarHBondContact O-CG2 3.21Å; R83-I86 PolarHBondContact O-N 3.25Å; R83-C87 VanDerWaalsContact O-CB 3.23Å; R83-C87 WeakPolarHBondContact O-CB 3.43Å; R83-C87 PolarHBondContact O-N 3.03Å; R83-C87 PolarHBondContact O-SG 2.93Å
84E96.3Very high93.5Very high12 Ų1245.5 Ų45.56%0.05625%0.252CS..Hα-helixtrans-60.8-48.2175.6-72.4174.5137.400111.6F72 K74 N75 I80 D81 I86 A88F72-E84 WeakPolarHBondContact O-CB 3.13Å; K74-E84 HydrophobicContact CB-CG 4.49Å; K74-E84 PolarHBondContact N-OE1 3.44Å; N75-E84 PolarHBondContact N-OE1 3.13Å; I80-E84 WeakPolarHBondContact CA-OE2 3.3Å; I80-E84 HydrophobicContact CG2-CB 3.9Å; D81-E84 PolarHBondContact N-OE2 2.96Å; D81-E84 PolarHBondContact O-N 3.19Å; D81-E84 PolarHBondContact OD1-N 3.42Å; E84-I86 PolarHBondContact O-N 2.78Å; E84-A88 VanDerWaalsContact O-CB 3.32Å; E84-A88 WeakPolarHBondContact O-CB 3.42Å; E84-A88 PolarHBondContact O-N 2.98Å
85F94.5Very high93.4Very high38 Ų3840 Ų4017%0.16723%0.231CC..Hα-helixtrans-55.8-52.5176.1171.7-103.1000112.2W30 F34 F72 I80 D81 F82 A88 L89W30-F85 AromaticContact CE3-CE1 3.85Å; W30-F85 HydrophobicContact CE3-CE1 3.85Å; W30-F85 HydrophobicContact CE3-CZ 4.15Å; W30-F85 HydrophobicContact CZ3-CE1 4.21Å; W30-F85 HydrophobicContact CZ3-CZ 4.02Å; F34-F85 HydrophobicContact CD2-CB 4.34Å; F34-F85 AromaticContact CD2-CD1 3.79Å; F34-F85 HydrophobicContact CD2-CD1 3.79Å; F34-F85 HydrophobicContact CD2-CE1 4.25Å; F34-F85 AromaticContact CD2-CG 3.98Å; F34-F85 HydrophobicContact CD2-CG 3.98Å; F34-F85 HydrophobicContact CE2-CB 3.86Å; F34-F85 HydrophobicContact CE2-CD1 4.16Å; F34-F85 HydrophobicContact CE2-CD2 4.41Å; F34-F85 AromaticContact CE2-CG 3.88Å; F34-F85 HydrophobicContact CE2-CG 3.88Å; F72-F85 HydrophobicContact CE1-CD2 4.21Å; I80-F85 HydrophobicContact CG2-CB 3.84Å; D81-F85 WeakPolarHBondContact O-CB 3.21Å; D81-F85 PolarHBondContact O-N 3.11Å; F82-F85 HydrophobicContact CD2-CD1 4.34Å; F82-F85 HydrophobicContact CE2-CD1 4.37Å; F85-A88 PolarHBondContact O-N 2.92Å; F85-L89 HydrophobicContact CE1-CD2 4.17Å; F85-L89 HydrophobicContact CZ-CD2 4.08Å; F85-L89 VanDerWaalsContact O-CB 3.28Å; F85-L89 WeakPolarHBondContact O-CB 2.9Å; F85-L89 PolarHBondContact O-N 3.15Å
86I95.1Very high93.2Very high0 Ų038.5 Ų38.50%023%0.227CC..Hα-helixtrans-73.8-32.8-172.9-160.858.7000112.4L16 T20 F22 L27 W30 F82 R83 E84 L89 S90L16-I86 HydrophobicContact CD1-CG2 4.41Å; L16-I86 HydrophobicContact CD2-CG2 3.69Å; T20-I86 HydrophobicContact CG2-CG2 4.27Å; F22-I86 HydrophobicContact CD2-CD1 3.68Å; F22-I86 HydrophobicContact CD2-CG1 3.86Å; F22-I86 HydrophobicContact CE2-CD1 3.57Å; F22-I86 HydrophobicContact CE2-CG1 4.11Å; F22-I86 HydrophobicContact CG-CD1 4.44Å; F22-I86 HydrophobicContact CZ-CD1 4.27Å; L27-I86 HydrophobicContact CD2-CD1 4.36Å; L27-I86 HydrophobicContact CD2-CG1 3.58Å; W30-I86 HydrophobicContact CB-CD1 3.92Å; W30-I86 HydrophobicContact CD2-CD1 4.33Å; W30-I86 HydrophobicContact CG-CD1 3.75Å; F82-I86 HydrophobicContact CE1-CB 4.44Å; F82-I86 HydrophobicContact CE1-CG2 4.28Å; F82-I86 HydrophobicContact CE2-CB 4.37Å; F82-I86 HydrophobicContact CZ-CB 4.18Å; F82-I86 HydrophobicContact CZ-CG1 4.24Å; F82-I86 WeakPolarHBondContact O-CB 3.35Å; F82-I86 VanDerWaalsContact O-CG2 3.25Å; F82-I86 WeakPolarHBondContact O-CG2 3.27Å; F82-I86 PolarHBondContact O-N 3.39Å; R83-I86 WeakPolarHBondContact O-CG2 3.21Å; R83-I86 PolarHBondContact O-N 3.25Å; E84-I86 PolarHBondContact O-N 2.78Å; I86-L89 HydrophobicContact CD1-CD2 4.13Å; I86-S90 VanDerWaalsContact O-CB 3.26Å; I86-S90 WeakPolarHBondContact O-CB 3.23Å; I86-S90 PolarHBondContact O-N 3.06Å
87C94.8Very high92.9Very high24 Ų2440.7 Ų40.716%0.16222%0.22CC..Hα-helixtrans-66.5-46.4173.3-74.60000111.5R83 S90 I91R83-C87 VanDerWaalsContact O-CB 3.23Å; R83-C87 WeakPolarHBondContact O-CB 3.43Å; R83-C87 PolarHBondContact O-N 3.03Å; R83-C87 PolarHBondContact O-SG 2.93Å; C87-S90 WeakPolarHBondContact O-CB 3.26Å; C87-S90 PolarHBondContact O-N 3.25Å; C87-I91 WeakPolarHBondContact O-CG1 3.46Å; C87-I91 PolarHBondContact O-N 2.96Å
88A92.3Very high92.6Very high4 Ų440.2 Ų40.23%0.03322%0.215CC..Hα-helixtrans-63.5-42.1175.900000111.6F72 E84 F85 S90 I91 T92F72-A88 HydrophobicContact CD1-CB 3.44Å; F72-A88 VanDerWaalsContact CD1-CB 3.44Å; F72-A88 HydrophobicContact CD2-CB 3.96Å; F72-A88 HydrophobicContact CE1-CB 3.42Å; F72-A88 VanDerWaalsContact CE1-CB 3.42Å; F72-A88 HydrophobicContact CE2-CB 3.99Å; F72-A88 HydrophobicContact CG-CB 3.72Å; F72-A88 HydrophobicContact CZ-CB 3.71Å; E84-A88 VanDerWaalsContact O-CB 3.32Å; E84-A88 WeakPolarHBondContact O-CB 3.42Å; E84-A88 PolarHBondContact O-N 2.98Å; F85-A88 PolarHBondContact O-N 2.92Å; A88-S90 VanDerWaalsContact C-N 3.33Å; A88-S90 PolarHBondContact O-N 2.91Å; A88-I91 PolarHBondContact O-N 3.32Å; A88-T92 WeakPolarHBondContact O-CG2 3.45Å; A88-T92 PolarHBondContact O-N 3.26Å; A88-T92 PolarHBondContact O-OG1 3.01Å
89L92.1Very high92.4Very high36 Ų3642 Ų4219%0.18821%0.213CC..Hα-helixtrans-62-41174.4-176.462.7000111.8F22 W30 F85 I86 I91 T92 S93F22-L89 HydrophobicContact CE2-CD2 4.47Å; F22-L89 HydrophobicContact CE2-CG 4.36Å; F22-L89 HydrophobicContact CZ-CD2 4.13Å; F22-L89 HydrophobicContact CZ-CG 4.11Å; W30-L89 HydrophobicContact CD2-CD2 4.05Å; W30-L89 HydrophobicContact CE3-CD2 4.18Å; W30-L89 HydrophobicContact CH2-CD2 3.7Å; W30-L89 HydrophobicContact CZ2-CD2 3.54Å; W30-L89 HydrophobicContact CZ3-CD2 4.01Å; F85-L89 HydrophobicContact CE1-CD2 4.17Å; F85-L89 HydrophobicContact CZ-CD2 4.08Å; F85-L89 VanDerWaalsContact O-CB 3.28Å; F85-L89 WeakPolarHBondContact O-CB 2.9Å; F85-L89 PolarHBondContact O-N 3.15Å; I86-L89 HydrophobicContact CD1-CD2 4.13Å; L89-I91 PolarHBondContact O-N 3.22Å; L89-T92 WeakPolarHBondContact CA-OG1 3.17Å; L89-T92 PolarHBondContact O-N 2.58Å; L89-T92 PolarHBondContact O-OG1 3.21Å; L89-S93 VanDerWaalsContact O-CB 3.27Å; L89-S93 WeakPolarHBondContact O-CB 3.4Å; L89-S93 PolarHBondContact O-N 2.66Å; L89-S93 PolarHBondContact O-OG 3.46Å
90S93.9Very high92Very high6 Ų644.6 Ų44.64%0.04222%0.222CC..Hα-helixtrans-59.3-47.1176.9-176.70000111.2T20 E21 I86 C87 A88 R94 G95T20-S90 WeakPolarHBondContact CA-OG 3.31Å; E21-S90 PolarHBondContact N-OG 3.48Å; I86-S90 VanDerWaalsContact O-CB 3.26Å; I86-S90 WeakPolarHBondContact O-CB 3.23Å; I86-S90 PolarHBondContact O-N 3.06Å; C87-S90 WeakPolarHBondContact O-CB 3.26Å; C87-S90 PolarHBondContact O-N 3.25Å; A88-S90 VanDerWaalsContact C-N 3.33Å; A88-S90 PolarHBondContact O-N 2.91Å; S90-R94 CarbonylContact O-C 3.58Å; S90-R94 WeakPolarHBondContact O-CA 2.83Å; S90-R94 PolarHBondContact O-N 3.28Å; S90-G95 PolarHBondContact O-N 2.89Å
91I90.5Very high91.7Very high46 Ų4645 Ų4524%0.23622%0.224CC..Hα-helixtrans-63.5-50.9179.2-67.5165.4000111C87 A88 L89 S93 G95 Q99 K100 W103C87-I91 WeakPolarHBondContact O-CG1 3.46Å; C87-I91 PolarHBondContact O-N 2.96Å; A88-I91 PolarHBondContact O-N 3.32Å; L89-I91 PolarHBondContact O-N 3.22Å; I91-S93 PolarHBondContact O-N 2.92Å; I91-G95 VanDerWaalsContact O-CA 3.27Å; I91-G95 WeakPolarHBondContact O-CA 3.39Å; I91-G95 PolarHBondContact O-N 2.96Å; I91-Q99 HydrophobicContact CG2-CB 4.1Å; I91-K100 VanDerWaalsContact O-CE 3.31Å; I91-K100 WeakPolarHBondContact O-CE 3.37Å; I91-K100 WeakPolarHBondContact O-CG 3.39Å; I91-W103 HydrophobicContact CG2-CB 3.79Å; I91-W103 HydrophobicContact CG2-CG 4.15Å
92T86.7Confident91.5Very high50 Ų5045.3 Ų45.331%0.30723%0.225SC..Hα-helixtrans-69-34.4-174.451.10000112.8A88 L89 K100 W103A88-T92 WeakPolarHBondContact O-CG2 3.45Å; A88-T92 PolarHBondContact O-N 3.26Å; A88-T92 PolarHBondContact O-OG1 3.01Å; L89-T92 WeakPolarHBondContact CA-OG1 3.17Å; L89-T92 PolarHBondContact O-N 2.58Å; L89-T92 PolarHBondContact O-OG1 3.21Å; T92-K100 VanDerWaalsContact O-CE 3.26Å; T92-K100 WeakPolarHBondContact O-CE 3.49Å; T92-W103 HydrophobicContact CG2-CD2 3.68Å; T92-W103 HydrophobicContact CG2-CE3 3.82Å; T92-W103 HydrophobicContact CG2-CG 4.32Å; T92-W103 HydrophobicContact CG2-CH2 3.85Å; T92-W103 HydrophobicContact CG2-CZ2 3.77Å; T92-W103 HydrophobicContact CG2-CZ3 3.9Å
93S88.4Confident91.3Very high56 Ų5646.8 Ų46.839%0.39223%0.231SC..Hα-helixtrans-89.1-51179.365.30000113.5L89 I91 K100L89-S93 VanDerWaalsContact O-CB 3.27Å; L89-S93 WeakPolarHBondContact O-CB 3.4Å; L89-S93 PolarHBondContact O-N 2.66Å; L89-S93 PolarHBondContact O-OG 3.46Å; I91-S93 PolarHBondContact O-N 2.92Å; S93-K100 PolarHBondContact O-NZ 3.33Å
94R90.9Very high91Very high106 Ų10642.9 Ų42.940%0.422%0.221SC..Hα-helixtrans-116.6-6.2-168.2-64.6178.7-175-170.41.1114.5E21 E26 S90E21-R94 HydrophobicContact CB-CB 3.63Å; E21-R94 HydrophobicContact CB-CG 4.35Å; E21-R94 HydrophobicContact CG-CB 3.97Å; E21-R94 WeakPolarHBondContact O-CD 3.1Å; E21-R94 PolarHBondContact O-NH1 3.03Å; E26-R94 IonicContact OE1-CZ 3.24Å; E26-R94 IonicContact OE1-NH1 3.81Å; E26-R94 PolarHBondContact OE1-NH1 3.1Å; E26-R94 VanDerWaalsContact OE1-NH1 3.17Å; E26-R94 IonicContact OE1-NH2 3.49Å; E26-R94 PolarHBondContact OE1-NH2 3.35Å; E26-R94 IonicContact OE2-CZ 2.61Å; E26-R94 IonicContact OE2-NH1 2.79Å; E26-R94 PolarHBondContact OE2-NH1 2.95Å; E26-R94 IonicContact OE2-NH2 2.75Å; S90-R94 CarbonylContact O-C 3.58Å; S90-R94 WeakPolarHBondContact O-CA 2.83Å; S90-R94 PolarHBondContact O-N 3.28Å
95G88Confident90.9Very high9 Ų942.4 Ų42.49%0.09322%0.219CC..  trans-61.8154-179.700000113.1S90 I91 K100S90-G95 PolarHBondContact O-N 2.89Å; I91-G95 VanDerWaalsContact O-CA 3.27Å; I91-G95 WeakPolarHBondContact O-CA 3.39Å; I91-G95 PolarHBondContact O-N 2.96Å; G95-K100 WeakPolarHBondContact O-CE 3.28Å
96S90Very high90.8Very high60 Ų6043.9 Ų43.942%0.4223%0.228SC..  trans-58.1161.5168.564.70000111.6E98 Q99 K100S96-E98 VanDerWaalsContact C-N 3.27Å; S96-E98 PolarHBondContact O-N 3.44Å; S96-Q99 PolarHBondContact O-N 2.89Å; S96-Q99 VanDerWaalsContact O-N 3.15Å; S96-Q99 WeakPolarHBondContact OG-CG 3.46Å; S96-Q99 PolarHBondContact OG-N 2.86Å; S96-Q99 PolarHBondContact OG-OE1 3.29Å; S96-K100 WeakPolarHBondContact O-CG 3.37Å; S96-K100 PolarHBondContact O-N 3.23Å
97F86.9Confident90.6Very high107 Ų10744.5 Ų44.547%0.46923%0.231SC..Hα-helixtrans-52.7-45.2175.5-177.3-107.8000112.2K100 L101 K176F97-K100 PolarHBondContact O-N 3.25Å; F97-L101 HydrophobicContact CD1-CD1 3.87Å; F97-L101 HydrophobicContact CD1-CG 4.41Å; F97-L101 HydrophobicContact CE1-CD1 3.36Å; F97-L101 HydrophobicContact CE1-CG 4.1Å; F97-L101 HydrophobicContact CE2-CG 4.5Å; F97-L101 HydrophobicContact CZ-CD1 3.75Å; F97-L101 HydrophobicContact CZ-CD2 4.28Å; F97-L101 HydrophobicContact CZ-CG 4.14Å; F97-L101 WeakPolarHBondContact O-CG 3.48Å; F97-L101 PolarHBondContact O-N 3.1Å; F97-K176 HydrophobicContact CE1-CG 4.1Å
98E89.9Confident90.6Very high61 Ų6143.6 Ų43.629%0.28523%0.225SC..Hα-helixtrans-61.8-44.2177.1-70.7-64.6152.700112.8S96 K100 L101 N102 K172 K176S96-E98 VanDerWaalsContact C-N 3.27Å; S96-E98 PolarHBondContact O-N 3.44Å; E98-K100 VanDerWaalsContact C-N 3.29Å; E98-K100 PolarHBondContact O-N 3.2Å; E98-L101 PolarHBondContact O-N 2.98Å; E98-N102 VanDerWaalsContact O-CG 3.27Å; E98-N102 PolarHBondContact O-N 3.32Å; E98-N102 PolarHBondContact O-ND2 3.34Å; E98-K172 WeakPolarHBondContact OE2-CD 3.36Å; E98-K172 VanDerWaalsContact OE2-CE 3.23Å; E98-K172 WeakPolarHBondContact OE2-CE 3.43Å; E98-K172 IonicContact OE2-NZ 3.65Å; E98-K176 WeakPolarHBondContact OE1-CE 3.32Å; E98-K176 IonicContact OE1-NZ 3.81Å; E98-K176 PolarHBondContact OE1-NZ 3.48Å
99Q90.4Very high90.7Very high79 Ų7943.9 Ų43.937%0.36923%0.226SC..Hα-helixtrans-62.1-39.6177.5-73.6165.4-56.700111.3I91 S96 N102 W103I91-Q99 HydrophobicContact CG2-CB 4.1Å; S96-Q99 PolarHBondContact O-N 2.89Å; S96-Q99 VanDerWaalsContact O-N 3.15Å; S96-Q99 WeakPolarHBondContact OG-CG 3.46Å; S96-Q99 PolarHBondContact OG-N 2.86Å; S96-Q99 PolarHBondContact OG-OE1 3.29Å; Q99-N102 PolarHBondContact O-N 2.93Å; Q99-W103 WeakPolarHBondContact O-CB 3.22Å; Q99-W103 PolarHBondContact O-N 2.99Å
100K88.9Confident90.8Very high83 Ų8343.7 Ų43.736%0.36123%0.225SC..Hα-helixtrans-66.7-40.3176.6-70.2177.7177-179.20112I91 T92 S93 G95 S96 F97 E98 W103 A104I91-K100 VanDerWaalsContact O-CE 3.31Å; I91-K100 WeakPolarHBondContact O-CE 3.37Å; I91-K100 WeakPolarHBondContact O-CG 3.39Å; T92-K100 VanDerWaalsContact O-CE 3.26Å; T92-K100 WeakPolarHBondContact O-CE 3.49Å; S93-K100 PolarHBondContact O-NZ 3.33Å; G95-K100 WeakPolarHBondContact O-CE 3.28Å; S96-K100 WeakPolarHBondContact O-CG 3.37Å; S96-K100 PolarHBondContact O-N 3.23Å; F97-K100 PolarHBondContact O-N 3.25Å; E98-K100 VanDerWaalsContact C-N 3.29Å; E98-K100 PolarHBondContact O-N 3.2Å; K100-W103 PolarHBondContact O-N 2.8Å; K100-A104 WeakPolarHBondContact O-CB 3.13Å; K100-A104 PolarHBondContact O-N 2.88Å
101L89.9Confident90.8Very high8 Ų848.9 Ų48.94%0.04225%0.252CS..Hα-helixtrans-64.8-44.7174.8-71.7-178.4000112.3F97 E98 W103 A104 F105 F171 K172 A175F97-L101 HydrophobicContact CD1-CD1 3.87Å; F97-L101 HydrophobicContact CD1-CG 4.41Å; F97-L101 HydrophobicContact CE1-CD1 3.36Å; F97-L101 HydrophobicContact CE1-CG 4.1Å; F97-L101 HydrophobicContact CE2-CG 4.5Å; F97-L101 HydrophobicContact CZ-CD1 3.75Å; F97-L101 HydrophobicContact CZ-CD2 4.28Å; F97-L101 HydrophobicContact CZ-CG 4.14Å; F97-L101 WeakPolarHBondContact O-CG 3.48Å; F97-L101 PolarHBondContact O-N 3.1Å; E98-L101 PolarHBondContact O-N 2.98Å; L101-W103 VanDerWaalsContact C-N 3.29Å; L101-W103 PolarHBondContact O-N 3.36Å; L101-A104 PolarHBondContact O-N 2.93Å; L101-F105 WeakPolarHBondContact O-CB 3.47Å; L101-F105 PolarHBondContact O-N 3.22Å; L101-F171 HydrophobicContact CB-CE1 4.41Å; L101-F171 HydrophobicContact CD2-CE1 3.99Å; L101-K172 HydrophobicContact CB-CG 4.44Å; L101-K172 HydrophobicContact CD1-CG 4.15Å; L101-A175 HydrophobicContact CD1-CB 3.88Å; L101-A175 HydrophobicContact CD2-CB 3.62Å; L101-A175 HydrophobicContact CG-CB 4.43Å
102N92Very high91Very high49 Ų4949.4 Ų49.426%0.26227%0.269SS..Hα-helixtrans-59.4-43174.8-67.7-40.7000111.3E98 Q99 F105 N106 K172E98-N102 VanDerWaalsContact O-CG 3.27Å; E98-N102 PolarHBondContact O-N 3.32Å; E98-N102 PolarHBondContact O-ND2 3.34Å; Q99-N102 PolarHBondContact O-N 2.93Å; N102-F105 PolarHBondContact O-N 2.88Å; N102-N106 VanDerWaalsContact O-CG 3.31Å; N102-N106 PolarHBondContact O-N 2.82Å; N102-N106 VanDerWaalsContact O-N 3.11Å; N102-N106 PolarHBondContact O-OD1 2.86Å; N102-K172 WeakPolarHBondContact OD1-CE 3.47Å; N102-K172 PolarHBondContact OD1-NZ 3.37Å
103W90.2Very high91.4Very high43 Ų4351.1 Ų51.116%0.16328%0.276CS..Hα-helixtrans-66-42178.6-174.888.3000112.1T71 F72 I91 T92 Q99 K100 L101 N106 M107T71-W103 WeakPolarHBondContact OG1-CZ2 3.3Å; F72-W103 HydrophobicContact CD2-CZ2 4.26Å; F72-W103 AromaticContact CE2-CZ2 3.77Å; F72-W103 HydrophobicContact CE2-CZ2 3.77Å; I91-W103 HydrophobicContact CG2-CB 3.79Å; I91-W103 HydrophobicContact CG2-CG 4.15Å; T92-W103 HydrophobicContact CG2-CD2 3.68Å; T92-W103 HydrophobicContact CG2-CE3 3.82Å; T92-W103 HydrophobicContact CG2-CG 4.32Å; T92-W103 HydrophobicContact CG2-CH2 3.85Å; T92-W103 HydrophobicContact CG2-CZ2 3.77Å; T92-W103 HydrophobicContact CG2-CZ3 3.9Å; Q99-W103 WeakPolarHBondContact O-CB 3.22Å; Q99-W103 PolarHBondContact O-N 2.99Å; K100-W103 PolarHBondContact O-N 2.8Å; L101-W103 VanDerWaalsContact C-N 3.29Å; L101-W103 PolarHBondContact O-N 3.36Å; W103-N106 PolarHBondContact O-N 2.83Å; W103-M107 HydrophobicContact CH2-CE 3.21Å; W103-M107 HydrophobicContact CH2-SD 4.4Å; W103-M107 HydrophobicContact CZ2-CE 3.82Å; W103-M107 HydrophobicContact CZ3-CE 3.72Å; W103-M107 HydrophobicContact CZ3-SD 4.39Å; W103-M107 PolarHBondContact O-N 2.87Å
104A90.1Very high91.8Very high23 Ų2350.1 Ų50.119%0.1928%0.275CS..Hα-helixtrans-62.6-43.9174.500000111.3K100 L101 N106 M107 Y108 F171K100-A104 WeakPolarHBondContact O-CB 3.13Å; K100-A104 PolarHBondContact O-N 2.88Å; L101-A104 PolarHBondContact O-N 2.93Å; A104-N106 VanDerWaalsContact C-N 3.34Å; A104-N106 PolarHBondContact O-N 3.23Å; A104-M107 VanDerWaalsContact O-CB 3.27Å; A104-M107 WeakPolarHBondContact O-CB 3.32Å; A104-M107 PolarHBondContact O-N 3.03Å; A104-Y108 VanDerWaalsContact O-CD2 3.28Å; A104-Y108 WeakPolarHBondContact O-CD2 3.48Å; A104-Y108 PolarHBondContact O-N 3.22Å; A104-F171 HydrophobicContact CB-CE1 4.37Å; A104-F171 HydrophobicContact CB-CZ 4.19Å
105F93Very high92.1Very high3 Ų348.5 Ų48.51%0.01327%0.27CS..Hα-helixtrans-54.5-49.7175.9-175.8-87.4000111.4L101 N102 M107 Y108 D109 G114 I116 L168 F171L101-F105 WeakPolarHBondContact O-CB 3.47Å; L101-F105 PolarHBondContact O-N 3.22Å; N102-F105 PolarHBondContact O-N 2.88Å; F105-M107 PolarHBondContact O-N 2.81Å; F105-M107 VanDerWaalsContact O-N 3.11Å; F105-Y108 WeakPolarHBondContact O-CA 3.27Å; F105-Y108 PolarHBondContact O-N 2.59Å; F105-D109 HydrophobicContact CD1-CB 4.15Å; F105-D109 HydrophobicContact CE1-CB 3.8Å; F105-D109 HydrophobicContact CZ-CB 4.46Å; F105-D109 PolarHBondContact O-N 2.89Å; F105-G114 WeakPolarHBondContact CZ-O 3.41Å; F105-I116 HydrophobicContact CD2-CD1 3.42Å; F105-I116 VanDerWaalsContact CD2-CD1 3.42Å; F105-I116 HydrophobicContact CD2-CG1 4.1Å; F105-I116 HydrophobicContact CE2-CD1 3.41Å; F105-I116 VanDerWaalsContact CE2-CD1 3.41Å; F105-I116 HydrophobicContact CE2-CG1 3.65Å; F105-I116 HydrophobicContact CG-CD1 4.16Å; F105-I116 HydrophobicContact CZ-CD1 4.13Å; F105-I116 HydrophobicContact CZ-CG1 3.88Å; F105-L168 HydrophobicContact CB-CD1 3.69Å; F105-L168 HydrophobicContact CD1-CD1 4.06Å; F105-L168 HydrophobicContact CD2-CB 4.27Å; F105-L168 HydrophobicContact CD2-CD1 3.83Å; F105-L168 HydrophobicContact CE1-CB 4.36Å; F105-L168 HydrophobicContact CE2-CB 4.12Å; F105-L168 HydrophobicContact CG-CB 4.46Å; F105-L168 HydrophobicContact CG-CD1 3.57Å; F105-L168 HydrophobicContact CZ-CB 4.17Å; F105-F171 HydrophobicContact CB-CD1 4.31Å; F105-F171 HydrophobicContact CB-CE1 4.32Å; F105-F171 HydrophobicContact CD2-CB 3.82Å; F105-F171 HydrophobicContact CD2-CD1 4.22Å; F105-F171 HydrophobicContact CD2-CD2 4.16Å; F105-F171 AromaticContact CD2-CG 3.84Å; F105-F171 HydrophobicContact CD2-CG 3.84Å; F105-F171 HydrophobicContact CE2-CB 4.23Å
106N92.3Very high92.5Very high68 Ų6848 Ų4836%0.36427%0.266SS..Hα-helixtrans-64.2-17.8178.6-65.27.1000114.1R70 T71 N102 W103 A104R70-N106 PolarHBondContact NH2-O 3.24Å; T71-N106 WeakPolarHBondContact CG2-O 3.31Å; N102-N106 VanDerWaalsContact O-CG 3.31Å; N102-N106 PolarHBondContact O-N 2.82Å; N102-N106 VanDerWaalsContact O-N 3.11Å; N102-N106 PolarHBondContact O-OD1 2.86Å; W103-N106 PolarHBondContact O-N 2.83Å; A104-N106 VanDerWaalsContact C-N 3.34Å; A104-N106 PolarHBondContact O-N 3.23Å
107M92.3Very high92.8Very high13 Ų1347.1 Ų47.16%0.06426%0.258CS..Hα-helixtrans-75.1-36.4171.5-178.7170.1-80.100111.5F64 A68 R70 T71 W103 A104 F105 L110 I124F64-M107 HydrophobicContact CE2-SD 3.95Å; F64-M107 HydrophobicContact CZ-CE 4.25Å; F64-M107 HydrophobicContact CZ-SD 3.9Å; A68-M107 HydrophobicContact CB-CE 3.85Å; R70-M107 PolarHBondContact NH2-O 2.76Å; T71-M107 VanDerWaalsContact CG2-CA 3.5Å; T71-M107 HydrophobicContact CG2-CB 3.94Å; W103-M107 HydrophobicContact CH2-CE 3.21Å; W103-M107 HydrophobicContact CH2-SD 4.4Å; W103-M107 HydrophobicContact CZ2-CE 3.82Å; W103-M107 HydrophobicContact CZ3-CE 3.72Å; W103-M107 HydrophobicContact CZ3-SD 4.39Å; W103-M107 PolarHBondContact O-N 2.87Å; A104-M107 VanDerWaalsContact O-CB 3.27Å; A104-M107 WeakPolarHBondContact O-CB 3.32Å; A104-M107 PolarHBondContact O-N 3.03Å; F105-M107 PolarHBondContact O-N 2.81Å; F105-M107 VanDerWaalsContact O-N 3.11Å; M107-L110 WeakPolarHBondContact O-CD2 3.43Å; M107-I124 WeakPolarHBondContact O-CD1 3.39Å
108Y93.5Very high93.3Very high6 Ų645.5 Ų45.52%0.02425%0.248CC..Hα-helixtrans-82.7-38.7178.4-75-82.7000113.3A104 F105 L110 I116 E120 M121 I124 L185A104-Y108 VanDerWaalsContact O-CD2 3.28Å; A104-Y108 WeakPolarHBondContact O-CD2 3.48Å; A104-Y108 PolarHBondContact O-N 3.22Å; F105-Y108 WeakPolarHBondContact O-CA 3.27Å; F105-Y108 PolarHBondContact O-N 2.59Å; Y108-L110 WeakPolarHBondContact O-CD2 3.43Å; Y108-L110 WeakPolarHBondContact O-CG 3.2Å; Y108-L110 PolarHBondContact O-N 3.44Å; Y108-L110 VanDerWaalsContact O-N 3.14Å; Y108-I116 HydrophobicContact CG-CD1 4.39Å; Y108-E120 WeakPolarHBondContact O-CB 3.28Å; Y108-M121 HydrophobicContact CD1-CE 4.42Å; Y108-M121 HydrophobicContact CD1-CG 4.27Å; Y108-M121 HydrophobicContact CE1-CG 4.34Å; Y108-I124 HydrophobicContact CD1-CB 3.78Å; Y108-I124 HydrophobicContact CD1-CG1 3.97Å; Y108-I124 HydrophobicContact CD1-CG2 3.86Å; Y108-I124 HydrophobicContact CE1-CB 3.71Å; Y108-I124 HydrophobicContact CE1-CG1 4.39Å; Y108-I124 HydrophobicContact CE1-CG2 3.43Å; Y108-I124 VanDerWaalsContact CE1-CG2 3.43Å; Y108-L185 HydrophobicContact CD2-CD2 4.21Å; Y108-L185 HydrophobicContact CE1-CD2 4.28Å; Y108-L185 HydrophobicContact CE2-CB 4.4Å; Y108-L185 HydrophobicContact CE2-CD2 3.52Å; Y108-L185 PolarHBondContact OH-O 3.22Å
109D95.1Very high93.7Very high10 Ų1047.7 Ų47.75%0.05327%0.266CS..  trans-70.1102.3172.8178-2.3000108.5R70 F105 G112 D113 G114 I116R70-D109 PolarHBondContact NH2-O 2.94Å; F105-D109 HydrophobicContact CD1-CB 4.15Å; F105-D109 HydrophobicContact CE1-CB 3.8Å; F105-D109 HydrophobicContact CZ-CB 4.46Å; F105-D109 PolarHBondContact O-N 2.89Å; D109-G112 WeakPolarHBondContact OD1-CA 3.41Å; D109-G112 PolarHBondContact OD1-N 2.8Å; D109-G112 WeakPolarHBondContact OD2-CA 3.44Å; D109-D113 PolarHBondContact OD1-N 3.13Å; D109-G114 WeakPolarHBondContact OD2-CA 3.22Å; D109-G114 PolarHBondContact OD2-N 2.88Å; D109-I116 HydrophobicContact CB-CG1 4.22Å
110L94.5Very high94Very high32 Ų3244.6 Ų44.617%0.16825%0.251CS..SBendtrans-85.2-31.9-169.2-54.6-170.9000112.6R70 M107 Y108 E120 E123 I124R70-L110 VanDerWaalsContact NH1-CA 3.34Å; R70-L110 PolarHBondContact NH1-O 2.79Å; R70-L110 VanDerWaalsContact NH2-CD2 3.27Å; M107-L110 WeakPolarHBondContact O-CD2 3.43Å; Y108-L110 WeakPolarHBondContact O-CD2 3.43Å; Y108-L110 WeakPolarHBondContact O-CG 3.2Å; Y108-L110 PolarHBondContact O-N 3.44Å; Y108-L110 VanDerWaalsContact O-N 3.14Å; L110-E120 WeakPolarHBondContact CA-OE1 3.23Å; L110-E120 HydrophobicContact CB-CG 3.96Å; L110-E120 WeakPolarHBondContact CB-OE1 3.44Å; L110-E120 HydrophobicContact CD1-CB 4.09Å; L110-E120 HydrophobicContact CD1-CG 3.95Å; L110-E120 HydrophobicContact CG-CB 3.81Å; L110-E120 HydrophobicContact CG-CG 3.69Å; L110-E120 PolarHBondContact N-OE1 3.37Å; L110-E123 HydrophobicContact CD1-CB 4.12Å; L110-E123 HydrophobicContact CD1-CG 4.12Å; L110-E123 WeakPolarHBondContact CD1-OE2 3.47Å; L110-I124 HydrophobicContact CD2-CD1 3.7Å; L110-I124 HydrophobicContact CD2-CG1 3.89Å
111D94Very high94.2Very high114 Ų11440.6 Ų40.661%0.6123%0.234SC*.SBendtrans-98.4-11.7-179.671.110.9000114D113 E120D111-D113 VanDerWaalsContact OD1-CB 3.3Å; D111-D113 WeakPolarHBondContact OD1-CB 3.43Å; D111-D113 PolarHBondContact OD1-N 2.92Å; D111-E120 PolarHBondContact N-OE1 2.78Å
112G93.5Very high94.4Very high58 Ų5842.3 Ų42.360%0.59824%0.243SC*.  trans79.421.117600000113.8D109 G114D109-G112 WeakPolarHBondContact OD1-CA 3.41Å; D109-G112 PolarHBondContact OD1-N 2.8Å; D109-G112 WeakPolarHBondContact OD2-CA 3.44Å; G112-G114 PolarHBondContact O-N 3.27Å
113D95.8Very high94.6Very high86 Ų8643.3 Ų43.346%0.4625%0.246SC..SBendtrans-77.1-4.8-179.387.8-12000113.8D109 D111 K115D109-D113 PolarHBondContact OD1-N 3.13Å; D111-D113 VanDerWaalsContact OD1-CB 3.3Å; D111-D113 WeakPolarHBondContact OD1-CB 3.43Å; D111-D113 PolarHBondContact OD1-N 2.92Å; D113-K115 WeakPolarHBondContact OD1-CA 3.39Å; D113-K115 VanDerWaalsContact OD1-CB 3.3Å; D113-K115 WeakPolarHBondContact OD1-CB 3.48Å; D113-K115 PolarHBondContact OD1-N 3.14Å
114G96Very high94.7Very high35 Ų3541.3 Ų41.336%0.36124%0.238SC..SBendtrans8913.3-179.900000113.9F105 D109 G112F105-G114 WeakPolarHBondContact CZ-O 3.41Å; D109-G114 WeakPolarHBondContact OD2-CA 3.22Å; D109-G114 PolarHBondContact OD2-N 2.88Å; G112-G114 PolarHBondContact O-N 3.27Å
115K97Very high94.6Very high71 Ų7140.2 Ų40.231%0.30923%0.23SC..EExtended strand (participates in β ladder)trans-136.8158.2178.2-53.1-179.8-171.91760110.3D113 Q165 I166D113-K115 WeakPolarHBondContact OD1-CA 3.39Å; D113-K115 VanDerWaalsContact OD1-CB 3.3Å; D113-K115 WeakPolarHBondContact OD1-CB 3.48Å; D113-K115 PolarHBondContact OD1-N 3.14Å; K115-Q165 HydrophobicContact CB-CB 4.3Å; K115-Q165 HydrophobicContact CD-CB 4.23Å; K115-Q165 HydrophobicContact CD-CG 4.31Å; K115-I166 CarbonylContact C-O 3.56Å; K115-I166 WeakPolarHBondContact CA-O 3.36Å
116I96.7Very high94.5Very high0 Ų043.1 Ų43.10%024%0.243CC..EExtended strand (participates in β ladder)trans-116117.7173.6-57161.3000108.1F105 Y108 D109 E120 M121 Q165 I166 F171F105-I116 HydrophobicContact CD2-CD1 3.42Å; F105-I116 VanDerWaalsContact CD2-CD1 3.42Å; F105-I116 HydrophobicContact CD2-CG1 4.1Å; F105-I116 HydrophobicContact CE2-CD1 3.41Å; F105-I116 VanDerWaalsContact CE2-CD1 3.41Å; F105-I116 HydrophobicContact CE2-CG1 3.65Å; F105-I116 HydrophobicContact CG-CD1 4.16Å; F105-I116 HydrophobicContact CZ-CD1 4.13Å; F105-I116 HydrophobicContact CZ-CG1 3.88Å; Y108-I116 HydrophobicContact CG-CD1 4.39Å; D109-I116 HydrophobicContact CB-CG1 4.22Å; I116-E120 HydrophobicContact CG2-CB 4.4Å; I116-M121 HydrophobicContact CG2-CB 4.07Å; I116-M121 HydrophobicContact CG2-CE 3.7Å; I116-Q165 CarbonylContact O-C 3.59Å; I116-Q165 WeakPolarHBondContact O-CA 3.49Å; I116-I166 HydrophobicContact CB-CB 4.34Å; I116-I166 PolarHBondContact N-O 3.34Å; I116-I166 PolarHBondContact O-N 2.91Å; I116-F171 HydrophobicContact CD1-CD2 4.03Å; I116-F171 HydrophobicContact CD1-CE2 4.25Å
117T97.5Very high94.5Very high41 Ų4139.9 Ų39.925%0.25223%0.226SC..EExtended strand (participates in β ladder)trans-84.5164.1172.666.80000111.5V119 E120 M121 Q165T117-V119 VanDerWaalsContact C-N 3.25Å; T117-V119 PolarHBondContact O-N 3.03Å; T117-E120 WeakPolarHBondContact CB-OE2 3.46Å; T117-E120 WeakPolarHBondContact CG2-OE2 3.41Å; T117-E120 PolarHBondContact N-OE2 3.28Å; T117-E120 PolarHBondContact O-N 2.88Å; T117-E120 WeakPolarHBondContact OG1-CG 3.38Å; T117-E120 PolarHBondContact OG1-N 2.98Å; T117-E120 PolarHBondContact OG1-OE2 3.31Å; T117-M121 PolarHBondContact O-N 3.09Å; T117-Q165 HydrophobicContact CG2-CG 4.25Å
118R96.6Very high94.2Very high72 Ų7239.6 Ų39.627%0.27223%0.225SC..Hα-helixtrans-58.5-37.9174.6-71.9-175.9167.5-92.91.4113.3M121 L122 V151 D152 F155 D164R118-M121 PolarHBondContact O-N 2.87Å; R118-L122 WeakPolarHBondContact O-CB 3.3Å; R118-L122 PolarHBondContact O-N 2.95Å; R118-V151 HydrophobicContact CB-CG1 4.15Å; R118-V151 HydrophobicContact CG-CG1 4.18Å; R118-D152 IonicContact CZ-OD1 3.37Å; R118-D152 IonicContact NH1-OD1 3.68Å; R118-D152 PolarHBondContact NH1-OD1 3.43Å; R118-D152 IonicContact NH2-OD1 3.05Å; R118-F155 HydrophobicContact CB-CE2 4.3Å; R118-F155 HydrophobicContact CB-CZ 4.27Å; R118-F155 HydrophobicContact CG-CD1 3.92Å; R118-F155 HydrophobicContact CG-CD2 3.92Å; R118-F155 HydrophobicContact CG-CE1 3.7Å; R118-F155 HydrophobicContact CG-CE2 3.7Å; R118-F155 HydrophobicContact CG-CG 4.03Å; R118-F155 HydrophobicContact CG-CZ 3.6Å; R118-D164 VanDerWaalsContact CD-OD1 3.26Å; R118-D164 WeakPolarHBondContact CD-OD1 3.37Å; R118-D164 WeakPolarHBondContact CD-OD2 3.5Å; R118-D164 IonicContact CZ-OD1 3.71Å; R118-D164 IonicContact NE-OD1 2.77Å; R118-D164 PolarHBondContact NE-OD1 3.3Å; R118-D164 IonicContact NE-OD2 3.64Å; R118-D164 IonicContact NH2-OD1 2.66Å
119V97.4Very high93.8Very high108 Ų10840.8 Ų40.866%0.65523%0.229SC*.Hα-helixtrans-65.7-46.1-178.4177.80000110.1T117 L122 E123T117-V119 VanDerWaalsContact C-N 3.25Å; T117-V119 PolarHBondContact O-N 3.03Å; V119-L122 PolarHBondContact O-N 2.95Å; V119-E123 PolarHBondContact O-N 2.55Å
120E97Very high93.4Very high13 Ų1344.9 Ų44.96%0.06125%0.247CC..Hα-helixtrans-63.5-43.7177.5-71.2174.5121.700112.4Y108 L110 D111 I116 T117 L122 E123 I124Y108-E120 WeakPolarHBondContact O-CB 3.28Å; L110-E120 WeakPolarHBondContact CA-OE1 3.23Å; L110-E120 HydrophobicContact CB-CG 3.96Å; L110-E120 WeakPolarHBondContact CB-OE1 3.44Å; L110-E120 HydrophobicContact CD1-CB 4.09Å; L110-E120 HydrophobicContact CD1-CG 3.95Å; L110-E120 HydrophobicContact CG-CB 3.81Å; L110-E120 HydrophobicContact CG-CG 3.69Å; L110-E120 PolarHBondContact N-OE1 3.37Å; D111-E120 PolarHBondContact N-OE1 2.78Å; I116-E120 HydrophobicContact CG2-CB 4.4Å; T117-E120 WeakPolarHBondContact CB-OE2 3.46Å; T117-E120 WeakPolarHBondContact CG2-OE2 3.41Å; T117-E120 PolarHBondContact N-OE2 3.28Å; T117-E120 PolarHBondContact O-N 2.88Å; T117-E120 WeakPolarHBondContact OG1-CG 3.38Å; T117-E120 PolarHBondContact OG1-N 2.98Å; T117-E120 PolarHBondContact OG1-OE2 3.31Å; E120-L122 VanDerWaalsContact C-N 3.34Å; E120-L122 PolarHBondContact O-N 3.05Å; E120-E123 PolarHBondContact O-N 3.02Å; E120-I124 PolarHBondContact O-N 3.3Å
121M94.1Very high92.9Very high0 Ų043.5 Ų43.50%024%0.239CC..Hα-helixtrans-63.1-42.1176.8-171.5160.9-68.900112.1Y108 I116 T117 R118 E123 I124 I125 V151 I154 F155 I166Y108-M121 HydrophobicContact CD1-CE 4.42Å; Y108-M121 HydrophobicContact CD1-CG 4.27Å; Y108-M121 HydrophobicContact CE1-CG 4.34Å; I116-M121 HydrophobicContact CG2-CB 4.07Å; I116-M121 HydrophobicContact CG2-CE 3.7Å; T117-M121 PolarHBondContact O-N 3.09Å; R118-M121 PolarHBondContact O-N 2.87Å; M121-E123 VanDerWaalsContact C-N 3.34Å; M121-I124 PolarHBondContact O-N 3.29Å; M121-I125 HydrophobicContact CG-CD1 3.84Å; M121-I125 VanDerWaalsContact O-CG1 3.3Å; M121-I125 WeakPolarHBondContact O-CG1 3.4Å; M121-I125 PolarHBondContact O-N 3.48Å; M121-I125 VanDerWaalsContact O-N 3.07Å; M121-V151 HydrophobicContact CB-CG1 4.44Å; M121-V151 HydrophobicContact CB-CG2 4.41Å; M121-V151 HydrophobicContact CG-CG2 4.18Å; M121-I154 HydrophobicContact CE-CG2 3.9Å; M121-I154 HydrophobicContact SD-CB 3.75Å; M121-I154 HydrophobicContact SD-CD1 3.79Å; M121-I154 HydrophobicContact SD-CG1 4.38Å; M121-I154 HydrophobicContact SD-CG2 3.37Å; M121-I154 WeakPolarHBondContact SD-CG2 3.36Å; M121-F155 HydrophobicContact CB-CE2 4.06Å; M121-F155 HydrophobicContact CE-CE2 4.17Å; M121-F155 HydrophobicContact CG-CE2 4.47Å; M121-F155 HydrophobicContact SD-CD2 4.03Å; M121-F155 HydrophobicContact SD-CE2 3.72Å; M121-I166 HydrophobicContact CE-CD1 3.77Å; M121-I166 HydrophobicContact SD-CD1 4.48Å
122L94.3Very high92.2Very high43 Ų4338.2 Ų38.223%0.22521%0.211CC..Hα-helixtrans-60.3-45.3176.4-17759.9000111.1R118 V119 E120 I124 I125 E126 P147 E148 V151R118-L122 WeakPolarHBondContact O-CB 3.3Å; R118-L122 PolarHBondContact O-N 2.95Å; V119-L122 PolarHBondContact O-N 2.95Å; E120-L122 VanDerWaalsContact C-N 3.34Å; E120-L122 PolarHBondContact O-N 3.05Å; L122-I124 PolarHBondContact O-N 3.07Å; L122-I125 PolarHBondContact O-N 3.41Å; L122-E126 HydrophobicContact CD1-CG 4.16Å; L122-E126 HydrophobicContact CG-CG 4.32Å; L122-E126 WeakPolarHBondContact O-CB 3.46Å; L122-E126 WeakPolarHBondContact O-CG 3.33Å; L122-E126 PolarHBondContact O-N 3.27Å; L122-P147 HydrophobicContact CD1-CB 3.57Å; L122-E148 HydrophobicContact CD1-CG 4.04Å; L122-E148 HydrophobicContact CD2-CG 4.31Å; L122-V151 HydrophobicContact CB-CG2 3.9Å; L122-V151 HydrophobicContact CD1-CG2 3.98Å
123E95Very high91.4Very high70 Ų7036 Ų3633%0.32719%0.188SC..Hα-helixtrans-59.2-44.1-178.6179.8163.1178.900112.4H67 L110 V119 E120 M121 A127H67-E123 IonicContact CE1-OE1 3.73Å; H67-E123 PolarHBondContact CE1-OE1 3Å; H67-E123 VanDerWaalsContact CE1-OE1 3.25Å; H67-E123 IonicContact NE2-OE1 2.79Å; H67-E123 PolarHBondContact NE2-OE1 3.31Å; L110-E123 HydrophobicContact CD1-CB 4.12Å; L110-E123 HydrophobicContact CD1-CG 4.12Å; L110-E123 WeakPolarHBondContact CD1-OE2 3.47Å; V119-E123 PolarHBondContact O-N 2.55Å; E120-E123 PolarHBondContact O-N 3.02Å; M121-E123 VanDerWaalsContact C-N 3.34Å; E123-A127 WeakPolarHBondContact O-CB 3.36Å; E123-A127 PolarHBondContact O-N 3.15Å
124I92.4Very high90.2Very high1 Ų136.8 Ų36.81%0.00520%0.196CC..Hα-helixtrans-66.8-44176-62.8-60.3000111.6H67 M107 Y108 L110 E120 M121 L122 E126 A127 I128H67-I124 HydrophobicContact CB-CD1 3.58Å; H67-I124 VanDerWaalsContact CD2-CD1 3.43Å; H67-I124 WeakPolarHBondContact CD2-CD1 3.36Å; M107-I124 WeakPolarHBondContact O-CD1 3.39Å; Y108-I124 HydrophobicContact CD1-CB 3.78Å; Y108-I124 HydrophobicContact CD1-CG1 3.97Å; Y108-I124 HydrophobicContact CD1-CG2 3.86Å; Y108-I124 HydrophobicContact CE1-CB 3.71Å; Y108-I124 HydrophobicContact CE1-CG1 4.39Å; Y108-I124 HydrophobicContact CE1-CG2 3.43Å; Y108-I124 VanDerWaalsContact CE1-CG2 3.43Å; L110-I124 HydrophobicContact CD2-CD1 3.7Å; L110-I124 HydrophobicContact CD2-CG1 3.89Å; E120-I124 PolarHBondContact O-N 3.3Å; M121-I124 PolarHBondContact O-N 3.29Å; L122-I124 PolarHBondContact O-N 3.07Å; I124-E126 VanDerWaalsContact C-N 3.35Å; I124-E126 PolarHBondContact O-N 3.01Å; I124-A127 WeakPolarHBondContact O-CB 3.39Å; I124-A127 PolarHBondContact O-N 3.28Å; I124-I128 HydrophobicContact CG2-CD1 3.88Å; I124-I128 HydrophobicContact CG2-CG1 4.42Å; I124-I128 VanDerWaalsContact O-CG1 3.31Å; I124-I128 WeakPolarHBondContact O-CG1 3.49Å; I124-I128 PolarHBondContact O-N 3.03Å
125I89.4Confident88.9Confident1 Ų140.1 Ų40.11%0.00521%0.209CC..Hα-helixtrans-61.9-44.7179.1-70.6171.3000110.5M121 L122 A127 I128 Y129 P147 R150 V151 I154M121-I125 HydrophobicContact CG-CD1 3.84Å; M121-I125 VanDerWaalsContact O-CG1 3.3Å; M121-I125 WeakPolarHBondContact O-CG1 3.4Å; M121-I125 PolarHBondContact O-N 3.48Å; M121-I125 VanDerWaalsContact O-N 3.07Å; L122-I125 PolarHBondContact O-N 3.41Å; I125-A127 VanDerWaalsContact C-N 3.32Å; I125-A127 PolarHBondContact O-N 3.45Å; I125-I128 PolarHBondContact O-N 3.22Å; I125-Y129 HydrophobicContact CG2-CD2 3.8Å; I125-Y129 HydrophobicContact CG2-CE2 3.54Å; I125-Y129 WeakPolarHBondContact O-CD2 3.16Å; I125-Y129 PolarHBondContact O-N 2.91Å; I125-P147 HydrophobicContact CG2-CB 3.9Å; I125-R150 HydrophobicContact CD1-CB 4.44Å; I125-R150 HydrophobicContact CD1-CG 4.12Å; I125-V151 HydrophobicContact CD1-CG2 3.74Å; I125-I154 HydrophobicContact CD1-CD1 3.81Å
126E90.8Very high87.6Confident64 Ų6440.1 Ų40.130%0.29921%0.212SC..Hα-helixtrans-60.9-40.9175-74.7-170.3163.500112.3L122 I124 I128 Y129 K130 P147L122-E126 HydrophobicContact CD1-CG 4.16Å; L122-E126 HydrophobicContact CG-CG 4.32Å; L122-E126 WeakPolarHBondContact O-CB 3.46Å; L122-E126 WeakPolarHBondContact O-CG 3.33Å; L122-E126 PolarHBondContact O-N 3.27Å; I124-E126 VanDerWaalsContact C-N 3.35Å; I124-E126 PolarHBondContact O-N 3.01Å; E126-I128 VanDerWaalsContact C-N 3.34Å; E126-Y129 PolarHBondContact O-N 3.43Å; E126-K130 WeakPolarHBondContact O-CG 3.48Å; E126-K130 PolarHBondContact O-N 3.27Å; E126-P147 HydrophobicContact CG-CB 4.09Å; E126-P147 HydrophobicContact CG-CG 4.32Å
127A90.9Very high86.2Confident0 Ų041.1 Ų41.10%022%0.217CC..Hα-helixtrans-62.6-41.6176.700000111.5K63 F64 E123 I124 I125 K130 M131K63-A127 HydrophobicContact CB-CB 3.82Å; F64-A127 HydrophobicContact CB-CB 4.21Å; E123-A127 WeakPolarHBondContact O-CB 3.36Å; E123-A127 PolarHBondContact O-N 3.15Å; I124-A127 WeakPolarHBondContact O-CB 3.39Å; I124-A127 PolarHBondContact O-N 3.28Å; I125-A127 VanDerWaalsContact C-N 3.32Å; I125-A127 PolarHBondContact O-N 3.45Å; A127-K130 PolarHBondContact O-N 2.99Å; A127-M131 WeakPolarHBondContact O-CB 3.43Å; A127-M131 PolarHBondContact O-N 3.28Å
128I86Confident84.8Confident7 Ų746.2 Ų46.24%0.03624%0.24CC..Hα-helixtrans-64.7-44.8174.9-64.4163.8000110.6F64 I124 I125 E126 K130 M131 V132 C187F64-I128 HydrophobicContact CD2-CG1 3.57Å; F64-I128 HydrophobicContact CE2-CD1 4.16Å; F64-I128 HydrophobicContact CE2-CG1 3.62Å; I124-I128 HydrophobicContact CG2-CD1 3.88Å; I124-I128 HydrophobicContact CG2-CG1 4.42Å; I124-I128 VanDerWaalsContact O-CG1 3.31Å; I124-I128 WeakPolarHBondContact O-CG1 3.49Å; I124-I128 PolarHBondContact O-N 3.03Å; I125-I128 PolarHBondContact O-N 3.22Å; E126-I128 VanDerWaalsContact C-N 3.34Å; I128-K130 VanDerWaalsContact C-N 3.29Å; I128-K130 PolarHBondContact O-N 3.05Å; I128-M131 WeakPolarHBondContact O-CB 3.34Å; I128-M131 PolarHBondContact O-N 2.89Å; I128-M131 VanDerWaalsContact O-N 3.1Å; I128-V132 WeakPolarHBondContact O-CG2 3.36Å; I128-V132 PolarHBondContact O-N 2.94Å; I128-C187 HydrophobicContact CG2-CB 3.49Å; I128-C187 VanDerWaalsContact CG2-CB 3.49Å; I128-C187 WeakPolarHBondContact CG2-SG 3.48Å
129Y84.7Confident83.5Confident31 Ų3150.4 Ų50.412%0.12226%0.26CS..Hα-helixtrans-58.9-41.1178.9-86.4-135.6000111.8I125 E126 G133 M137 L145 P147 R150I125-Y129 HydrophobicContact CG2-CD2 3.8Å; I125-Y129 HydrophobicContact CG2-CE2 3.54Å; I125-Y129 WeakPolarHBondContact O-CD2 3.16Å; I125-Y129 PolarHBondContact O-N 2.91Å; E126-Y129 PolarHBondContact O-N 3.43Å; Y129-G133 PolarHBondContact O-N 2.9Å; Y129-M137 VanDerWaalsContact CA-SD 3.56Å; Y129-M137 HydrophobicContact CD1-CE 3.3Å; Y129-M137 HydrophobicContact CD1-CG 4.33Å; Y129-M137 HydrophobicContact CD1-SD 3.89Å; Y129-M137 HydrophobicContact CD2-CE 3.58Å; Y129-M137 HydrophobicContact CD2-SD 3.67Å; Y129-M137 HydrophobicContact CE1-CE 3.2Å; Y129-M137 HydrophobicContact CE1-SD 4.35Å; Y129-M137 HydrophobicContact CE2-CE 3.48Å; Y129-M137 VanDerWaalsContact CE2-CE 3.48Å; Y129-M137 HydrophobicContact CE2-SD 4.15Å; Y129-M137 HydrophobicContact CG-CE 3.5Å; Y129-M137 VanDerWaalsContact CG-CE 3.5Å; Y129-M137 HydrophobicContact CG-CG 4.29Å; Y129-M137 HydrophobicContact CG-SD 3.52Å; Y129-M137 VanDerWaalsContact CG-SD 3.52Å; Y129-M137 WeakPolarHBondContact O-CG 3.47Å; Y129-L145 PolarHBondContact OH-O 3.48Å; Y129-L145 VanDerWaalsContact OH-O 3.05Å; Y129-P147 HydrophobicContact CD1-CG 3.7Å; Y129-P147 HydrophobicContact CE1-CG 3.7Å; Y129-P147 HydrophobicContact CG-CG 4.29Å; Y129-R150 PolarHBondContact OH-NE 2.97Å
130K87.3Confident82Confident96 Ų9647.4 Ų47.442%0.41724%0.239SC..Hα-helixtrans-67.1-41.2174-74.7178.1179.4174.40112.5D60 E126 A127 I128 G133D60-K130 HydrophobicContact CB-CB 4.43Å; D60-K130 PolarHBondContact N-O 3.28Å; D60-K130 CarbonylContact O-C 3.58Å; E126-K130 WeakPolarHBondContact O-CG 3.48Å; E126-K130 PolarHBondContact O-N 3.27Å; A127-K130 PolarHBondContact O-N 2.99Å; I128-K130 VanDerWaalsContact C-N 3.29Å; I128-K130 PolarHBondContact O-N 3.05Å; K130-G133 PolarHBondContact O-N 3.13Å
131M85Confident80.8Confident2 Ų248 Ų481%0.0124%0.243CC..Hα-helixtrans-62.4-45.2-178.9177.7176.87100112.7Y52 F56 G59 D60 A61 F64 A127 I128 G133 I189Y52-M131 HydrophobicContact CD1-SD 4.05Å; Y52-M131 HydrophobicContact CE1-SD 4.2Å; F56-M131 HydrophobicContact CB-CG 4.21Å; F56-M131 HydrophobicContact CD1-CG 3.97Å; F56-M131 HydrophobicContact CD2-CG 3.96Å; F56-M131 HydrophobicContact CD2-SD 3.92Å; F56-M131 HydrophobicContact CE1-CE 4.32Å; F56-M131 HydrophobicContact CE1-CG 4.32Å; F56-M131 HydrophobicContact CE1-SD 4.45Å; F56-M131 HydrophobicContact CE2-CE 4.38Å; F56-M131 HydrophobicContact CE2-CG 4.32Å; F56-M131 HydrophobicContact CE2-SD 3.79Å; F56-M131 HydrophobicContact CG-CG 3.77Å; F56-M131 HydrophobicContact CG-SD 4.32Å; F56-M131 HydrophobicContact CZ-CE 4.06Å; F56-M131 HydrophobicContact CZ-CG 4.49Å; F56-M131 HydrophobicContact CZ-SD 4.07Å; G59-M131 WeakPolarHBondContact CA-O 3.5Å; D60-M131 VanDerWaalsContact O-CA 3.28Å; D60-M131 WeakPolarHBondContact O-CA 3.45Å; D60-M131 PolarHBondContact O-N 3.05Å; A61-M131 HydrophobicContact CB-CB 4.35Å; A61-M131 HydrophobicContact CB-CG 3.7Å; A61-M131 HydrophobicContact CB-SD 4.16Å; F64-M131 HydrophobicContact CB-CB 4.38Å; F64-M131 HydrophobicContact CB-SD 3.93Å; F64-M131 HydrophobicContact CD1-CE 3.95Å; F64-M131 HydrophobicContact CD1-SD 3.43Å; F64-M131 WeakPolarHBondContact CD1-SD 3.29Å; F64-M131 HydrophobicContact CD2-CE 4.4Å; F64-M131 HydrophobicContact CE1-CE 4.17Å; F64-M131 HydrophobicContact CE1-SD 4.1Å; F64-M131 HydrophobicContact CG-CE 4.07Å; F64-M131 HydrophobicContact CG-SD 3.72Å; F64-M131 HydrophobicContact CZ-CE 4.48Å; A127-M131 WeakPolarHBondContact O-CB 3.43Å; A127-M131 PolarHBondContact O-N 3.28Å; I128-M131 WeakPolarHBondContact O-CB 3.34Å; I128-M131 PolarHBondContact O-N 2.89Å; I128-M131 VanDerWaalsContact O-N 3.1Å; M131-G133 VanDerWaalsContact C-N 3.32Å; M131-I189 HydrophobicContact CE-CD1 3.68Å
132V79.6Confident79.6Confident4 Ų457 Ų572%0.02429%0.285CS..Hα-helixtrans-78.7-21.5-179.1-59.80000112.1I128 I136 M137 M140 I189I128-V132 WeakPolarHBondContact O-CG2 3.36Å; I128-V132 PolarHBondContact O-N 2.94Å; V132-I136 HydrophobicContact CB-CB 3.95Å; V132-I136 HydrophobicContact CB-CG2 3.74Å; V132-I136 HydrophobicContact CG1-CG2 4.34Å; V132-I136 HydrophobicContact CG2-CB 4.41Å; V132-I136 HydrophobicContact CG2-CG2 4.26Å; V132-I136 WeakPolarHBondContact O-CB 3.28Å; V132-I136 WeakPolarHBondContact O-CD1 3.29Å; V132-M137 HydrophobicContact CG2-CB 4.48Å; V132-M137 HydrophobicContact CG2-CG 3.53Å; V132-M137 HydrophobicContact CG2-SD 3.22Å; V132-M137 WeakPolarHBondContact CG2-SD 3.48Å; V132-M140 HydrophobicContact CB-SD 4.33Å; V132-M140 HydrophobicContact CG1-SD 4.12Å; V132-M140 HydrophobicContact CG2-SD 4.24Å; V132-I189 HydrophobicContact CG1-CD1 4.32Å; V132-I189 HydrophobicContact CG1-CG1 3.96Å
133G76.7Confident78.7Confident10 Ų1058.4 Ų58.410%0.10329%0.292CS..Hα-helixtrans73.2166.6-18000000113.4Y129 K130 M131 V135 I136 M137Y129-G133 PolarHBondContact O-N 2.9Å; K130-G133 PolarHBondContact O-N 3.13Å; M131-G133 VanDerWaalsContact C-N 3.32Å; G133-V135 VanDerWaalsContact C-N 3.33Å; G133-V135 PolarHBondContact O-N 3.25Å; G133-I136 PolarHBondContact O-N 3.41Å; G133-M137 WeakPolarHBondContact O-CB 3.45Å; G133-M137 WeakPolarHBondContact O-CG 3.46Å; G133-M137 PolarHBondContact O-N 3.26Å
134T70.6Confident78Confident104 Ų10457.6 Ų57.664%0.63830%0.303SS*.Hα-helixtrans-57.9-39.7-168.2-490000113.9M137 M138T134-M137 PolarHBondContact O-N 2.74Å; T134-M138 HydrophobicContact CG2-CE 3.9Å; T134-M138 HydrophobicContact CG2-SD 4.43Å; T134-M138 VanDerWaalsContact O-CG 3.31Å; T134-M138 WeakPolarHBondContact O-CG 3.5Å; T134-M138 PolarHBondContact O-N 3.22Å
135V67Low77.5Confident104 Ų10459.1 Ų59.163%0.6331%0.311SS*.Hα-helixtrans-68.5-44.1-175.7176.80000111.5G133 K139G133-V135 VanDerWaalsContact C-N 3.33Å; G133-V135 PolarHBondContact O-N 3.25Å; V135-K139 PolarHBondContact O-N 2.89Å
136I70.2Confident77.5Confident72 Ų7262 Ų6237%0.36933%0.328SS..Hα-helixtrans-73-39.5179-62.1178.6000108.9V132 G133 M138 K139 M140V132-I136 HydrophobicContact CB-CB 3.95Å; V132-I136 HydrophobicContact CB-CG2 3.74Å; V132-I136 HydrophobicContact CG1-CG2 4.34Å; V132-I136 HydrophobicContact CG2-CB 4.41Å; V132-I136 HydrophobicContact CG2-CG2 4.26Å; V132-I136 WeakPolarHBondContact O-CB 3.28Å; V132-I136 WeakPolarHBondContact O-CD1 3.29Å; G133-I136 PolarHBondContact O-N 3.41Å; I136-M138 VanDerWaalsContact C-N 3.3Å; I136-M138 PolarHBondContact O-N 2.9Å; I136-K139 WeakPolarHBondContact O-CA 3.34Å; I136-K139 WeakPolarHBondContact O-CB 3.25Å; I136-K139 PolarHBondContact O-N 2.68Å; I136-M140 HydrophobicContact CG2-CG 3.84Å; I136-M140 HydrophobicContact CG2-SD 3.28Å; I136-M140 WeakPolarHBondContact CG2-SD 3.46Å; I136-M140 VanDerWaalsContact O-CG 3.29Å; I136-M140 WeakPolarHBondContact O-CG 3.26Å; I136-M140 PolarHBondContact O-N 3.37Å
137M68.5Low77.3Confident21 Ų2160 Ų6010%0.10332%0.321CS..Hα-helixtrans-53.4-45172.3-82.1-46.7-51.800113.1Y129 V132 G133 T134 K139 M140 N141Y129-M137 VanDerWaalsContact CA-SD 3.56Å; Y129-M137 HydrophobicContact CD1-CE 3.3Å; Y129-M137 HydrophobicContact CD1-CG 4.33Å; Y129-M137 HydrophobicContact CD1-SD 3.89Å; Y129-M137 HydrophobicContact CD2-CE 3.58Å; Y129-M137 HydrophobicContact CD2-SD 3.67Å; Y129-M137 HydrophobicContact CE1-CE 3.2Å; Y129-M137 HydrophobicContact CE1-SD 4.35Å; Y129-M137 HydrophobicContact CE2-CE 3.48Å; Y129-M137 VanDerWaalsContact CE2-CE 3.48Å; Y129-M137 HydrophobicContact CE2-SD 4.15Å; Y129-M137 HydrophobicContact CG-CE 3.5Å; Y129-M137 VanDerWaalsContact CG-CE 3.5Å; Y129-M137 HydrophobicContact CG-CG 4.29Å; Y129-M137 HydrophobicContact CG-SD 3.52Å; Y129-M137 VanDerWaalsContact CG-SD 3.52Å; Y129-M137 WeakPolarHBondContact O-CG 3.47Å; V132-M137 HydrophobicContact CG2-CB 4.48Å; V132-M137 HydrophobicContact CG2-CG 3.53Å; V132-M137 HydrophobicContact CG2-SD 3.22Å; V132-M137 WeakPolarHBondContact CG2-SD 3.48Å; G133-M137 WeakPolarHBondContact O-CB 3.45Å; G133-M137 WeakPolarHBondContact O-CG 3.46Å; G133-M137 PolarHBondContact O-N 3.26Å; T134-M137 PolarHBondContact O-N 2.74Å; M137-K139 PolarHBondContact O-N 3.31Å; M137-M140 PolarHBondContact O-N 2.99Å; M137-N141 HydrophobicContact CE-CB 3.99Å; M137-N141 WeakPolarHBondContact O-CB 3.43Å; M137-N141 PolarHBondContact O-N 3.22Å
138M68Low77.4Confident148 Ų14864.4 Ų64.473%0.72934%0.342SS*.Hα-helixtrans-61.8-27.6177.4-76177.1172.900113T134 I136T134-M138 HydrophobicContact CG2-CE 3.9Å; T134-M138 HydrophobicContact CG2-SD 4.43Å; T134-M138 VanDerWaalsContact O-CG 3.31Å; T134-M138 WeakPolarHBondContact O-CG 3.5Å; T134-M138 PolarHBondContact O-N 3.22Å; I136-M138 VanDerWaalsContact C-N 3.3Å; I136-M138 PolarHBondContact O-N 2.9Å
139K68Low77.7Confident159 Ų15968.5 Ų68.569%0.69136%0.361SS*.Hα-helixtrans-84.3-34.2176.4-66.7-179.8179-178.60112.7V135 I136 M137V135-K139 PolarHBondContact O-N 2.89Å; I136-K139 WeakPolarHBondContact O-CA 3.34Å; I136-K139 WeakPolarHBondContact O-CB 3.25Å; I136-K139 PolarHBondContact O-N 2.68Å; M137-K139 PolarHBondContact O-N 3.31Å
140M66.3Low77.8Confident45 Ų4567.9 Ų67.922%0.22236%0.358CS..Hα-helixtrans-84.9-30-176-64.8177.572.600112.9V132 I136 M137 E142 C187 D188 I189V132-M140 HydrophobicContact CB-SD 4.33Å; V132-M140 HydrophobicContact CG1-SD 4.12Å; V132-M140 HydrophobicContact CG2-SD 4.24Å; I136-M140 HydrophobicContact CG2-CG 3.84Å; I136-M140 HydrophobicContact CG2-SD 3.28Å; I136-M140 WeakPolarHBondContact CG2-SD 3.46Å; I136-M140 VanDerWaalsContact O-CG 3.29Å; I136-M140 WeakPolarHBondContact O-CG 3.26Å; I136-M140 PolarHBondContact O-N 3.37Å; M137-M140 PolarHBondContact O-N 2.99Å; M140-E142 VanDerWaalsContact C-N 3.31Å; M140-E142 PolarHBondContact O-N 3.47Å; M140-C187 HydrophobicContact CE-CB 3.45Å; M140-C187 VanDerWaalsContact CE-CB 3.45Å; M140-D188 HydrophobicContact CE-CB 4.31Å; M140-D188 VanDerWaalsContact CE-O 3.26Å; M140-D188 WeakPolarHBondContact CE-O 3.28Å; M140-I189 HydrophobicContact CE-CG1 4.27Å
141N71.1Confident78.1Confident27 Ų2763.6 Ų63.614%0.14434%0.34CS..  trans-92.259.8-178-163.331.9000110.6M137 D143 G144 L145 R150M137-N141 HydrophobicContact CE-CB 3.99Å; M137-N141 WeakPolarHBondContact O-CB 3.43Å; M137-N141 PolarHBondContact O-N 3.22Å; N141-D143 PolarHBondContact O-N 2.81Å; N141-D143 PolarHBondContact OD1-OD1 2.79Å; N141-G144 VanDerWaalsContact ND2-C 3.25Å; N141-G144 WeakPolarHBondContact ND2-CA 3.28Å; N141-G144 WeakPolarHBondContact O-CA 3.42Å; N141-G144 PolarHBondContact O-N 2.99Å; N141-L145 PolarHBondContact ND2-N 2.84Å; N141-L145 PolarHBondContact ND2-O 2.99Å; N141-L145 PolarHBondContact OD1-N 2.84Å; N141-L145 VanDerWaalsContact OD1-N 3.09Å; N141-L145 PolarHBondContact OD1-O 3.23Å; N141-R150 PolarHBondContact OD1-NH2 2.8Å
142E69.8Low78.4Confident188 Ų18867.4 Ų67.488%0.87936%0.361SS*.THydrogen-bonded Turntrans-57.6-30.5-179.9-67.2-171.5165.400112.3M140 G144M140-E142 VanDerWaalsContact C-N 3.31Å; M140-E142 PolarHBondContact O-N 3.47Å; E142-G144 VanDerWaalsContact C-N 3.31Å
143D76.2Confident78.9Confident72 Ų7270.6 Ų70.639%0.38537%0.374SS..THydrogen-bonded Turntrans-83.3-3.7175.959.5-1.3000114N141 L145 R150 K153N141-D143 PolarHBondContact O-N 2.81Å; N141-D143 PolarHBondContact OD1-OD1 2.79Å; D143-L145 HydrophobicContact CB-CG 4.13Å; D143-L145 VanDerWaalsContact CG-CG 3.49Å; D143-L145 PolarHBondContact O-N 3.47Å; D143-L145 WeakPolarHBondContact OD2-CD1 3.41Å; D143-R150 IonicContact OD1-NH2 2.65Å; D143-R150 PolarHBondContact OD1-NH2 3.15Å; D143-K153 IonicContact OD2-NZ 3.78Å; D143-K153 PolarHBondContact OD2-NZ 2.95Å
144G79.1Confident79.5Confident53 Ų5370.2 Ų70.255%0.54637%0.369SS..  trans65.817.1174.800000114.5N141 E142N141-G144 VanDerWaalsContact ND2-C 3.25Å; N141-G144 WeakPolarHBondContact ND2-CA 3.28Å; N141-G144 WeakPolarHBondContact O-CA 3.42Å; N141-G144 PolarHBondContact O-N 2.99Å; E142-G144 VanDerWaalsContact C-N 3.31Å
145L83.4Confident80.6Confident33 Ų3365.3 Ų65.317%0.17334%0.34CS..  trans-72.1133.9-175.9-61.2-177.4000111.9Y129 N141 D143 Q149 K153Y129-L145 PolarHBondContact OH-O 3.48Å; Y129-L145 VanDerWaalsContact OH-O 3.05Å; N141-L145 PolarHBondContact ND2-N 2.84Å; N141-L145 PolarHBondContact ND2-O 2.99Å; N141-L145 PolarHBondContact OD1-N 2.84Å; N141-L145 VanDerWaalsContact OD1-N 3.09Å; N141-L145 PolarHBondContact OD1-O 3.23Å; D143-L145 HydrophobicContact CB-CG 4.13Å; D143-L145 VanDerWaalsContact CG-CG 3.49Å; D143-L145 PolarHBondContact O-N 3.47Å; D143-L145 WeakPolarHBondContact OD2-CD1 3.41Å; L145-Q149 HydrophobicContact CB-CB 4.06Å; L145-Q149 HydrophobicContact CD2-CB 4.02Å; L145-Q149 HydrophobicContact CG-CB 4.47Å; L145-K153 HydrophobicContact CD1-CD 3.57Å
146T87.5Confident81.8Confident61 Ų6165 Ų6537%0.37434%0.341SS..  trans-61.4157.816456.50000110.7E148 Q149 R150T146-E148 WeakPolarHBondContact CB-OE2 3.4Å; T146-E148 PolarHBondContact O-N 2.99Å; T146-Q149 PolarHBondContact O-N 3.48Å; T146-Q149 WeakPolarHBondContact OG1-CB 3.26Å; T146-Q149 VanDerWaalsContact OG1-CD 3.23Å; T146-Q149 WeakPolarHBondContact OG1-CG 3.26Å; T146-Q149 PolarHBondContact OG1-N 3.33Å; T146-Q149 PolarHBondContact OG1-OE1 3.07Å; T146-R150 PolarHBondContact O-N 3.04Å
147P88.3Confident82.7Confident23 Ų2365.2 Ų65.215%0.14934%0.34CS..Hα-helixtrans-47.9-44.4172.2-3037.5000112.9L122 I125 E126 Y129 R150 V151L122-P147 HydrophobicContact CD1-CB 3.57Å; I125-P147 HydrophobicContact CG2-CB 3.9Å; E126-P147 HydrophobicContact CG-CB 4.09Å; E126-P147 HydrophobicContact CG-CG 4.32Å; Y129-P147 HydrophobicContact CD1-CG 3.7Å; Y129-P147 HydrophobicContact CE1-CG 3.7Å; Y129-P147 HydrophobicContact CG-CG 4.29Å; P147-R150 WeakPolarHBondContact O-CB 3.32Å; P147-R150 PolarHBondContact O-N 3.48Å; P147-R150 VanDerWaalsContact O-N 3.17Å; P147-V151 WeakPolarHBondContact O-CG2 3.32Å; P147-V151 PolarHBondContact O-N 3.46Å
148E92.6Very high83.9Confident93 Ų9364.2 Ų64.244%0.43534%0.335SS..Hα-helixtrans-64.1-46.6-179.6-6182.8172.900111.7L122 T146 R150 V151 D152L122-E148 HydrophobicContact CD1-CG 4.04Å; L122-E148 HydrophobicContact CD2-CG 4.31Å; T146-E148 WeakPolarHBondContact CB-OE2 3.4Å; T146-E148 PolarHBondContact O-N 2.99Å; E148-R150 PolarHBondContact O-N 2.79Å; E148-V151 WeakPolarHBondContact O-CB 3.25Å; E148-V151 PolarHBondContact O-N 3.49Å; E148-V151 VanDerWaalsContact O-N 3.16Å; E148-D152 PolarHBondContact O-N 3.26Å
149Q91Very high85.2Confident93 Ų9358 Ų5844%0.43530%0.304SS..Hα-helixtrans-64.1-30.9175.7-72167.3-39.200112.3L145 T146 K153L145-Q149 HydrophobicContact CB-CB 4.06Å; L145-Q149 HydrophobicContact CD2-CB 4.02Å; L145-Q149 HydrophobicContact CG-CB 4.47Å; T146-Q149 PolarHBondContact O-N 3.48Å; T146-Q149 WeakPolarHBondContact OG1-CB 3.26Å; T146-Q149 VanDerWaalsContact OG1-CD 3.23Å; T146-Q149 WeakPolarHBondContact OG1-CG 3.26Å; T146-Q149 PolarHBondContact OG1-N 3.33Å; T146-Q149 PolarHBondContact OG1-OE1 3.07Å; Q149-K153 WeakPolarHBondContact O-CB 3.23Å; Q149-K153 PolarHBondContact O-N 3.47Å
150R88.2Confident86.3Confident18 Ų1855.7 Ų55.77%0.06830%0.295CS..Hα-helixtrans-68.9-42.5174.3-171.9174.4-67.2-88.5-11.6110.8I125 Y129 N141 D143 T146 P147 E148 K153 I154I125-R150 HydrophobicContact CD1-CB 4.44Å; I125-R150 HydrophobicContact CD1-CG 4.12Å; Y129-R150 PolarHBondContact OH-NE 2.97Å; N141-R150 PolarHBondContact OD1-NH2 2.8Å; D143-R150 IonicContact OD1-NH2 2.65Å; D143-R150 PolarHBondContact OD1-NH2 3.15Å; T146-R150 PolarHBondContact O-N 3.04Å; P147-R150 WeakPolarHBondContact O-CB 3.32Å; P147-R150 PolarHBondContact O-N 3.48Å; P147-R150 VanDerWaalsContact O-N 3.17Å; E148-R150 PolarHBondContact O-N 2.79Å; R150-K153 PolarHBondContact O-N 3.41Å; R150-I154 HydrophobicContact CG-CD1 4.14Å; R150-I154 VanDerWaalsContact O-CG1 3.3Å; R150-I154 WeakPolarHBondContact O-CG1 3.44Å; R150-I154 PolarHBondContact O-N 2.76Å
151V92.1Very high87.6Confident5 Ų557.8 Ų57.83%0.0331%0.307CS..Hα-helixtrans-58.1-49171.9176.30000110.4R118 M121 L122 I125 P147 E148 K153 I154 F155R118-V151 HydrophobicContact CB-CG1 4.15Å; R118-V151 HydrophobicContact CG-CG1 4.18Å; M121-V151 HydrophobicContact CB-CG1 4.44Å; M121-V151 HydrophobicContact CB-CG2 4.41Å; M121-V151 HydrophobicContact CG-CG2 4.18Å; L122-V151 HydrophobicContact CB-CG2 3.9Å; L122-V151 HydrophobicContact CD1-CG2 3.98Å; I125-V151 HydrophobicContact CD1-CG2 3.74Å; P147-V151 WeakPolarHBondContact O-CG2 3.32Å; P147-V151 PolarHBondContact O-N 3.46Å; E148-V151 WeakPolarHBondContact O-CB 3.25Å; E148-V151 PolarHBondContact O-N 3.49Å; E148-V151 VanDerWaalsContact O-N 3.16Å; V151-K153 VanDerWaalsContact C-N 3.29Å; V151-K153 PolarHBondContact O-N 2.88Å; V151-I154 PolarHBondContact O-N 3.32Å; V151-I154 VanDerWaalsContact O-N 3.07Å; V151-F155 HydrophobicContact CG1-CD2 3.71Å; V151-F155 HydrophobicContact CG1-CE2 3.93Å; V151-F155 WeakPolarHBondContact O-CD2 3.26Å; V151-F155 PolarHBondContact O-N 2.9Å
152D92.8Very high88.7Confident83 Ų8365.1 Ų65.144%0.44434%0.337SS..Hα-helixtrans-56.2-43.8177.6-73.1-27000112.4R118 E148 I154 S156R118-D152 IonicContact CZ-OD1 3.37Å; R118-D152 IonicContact NH1-OD1 3.68Å; R118-D152 PolarHBondContact NH1-OD1 3.43Å; R118-D152 IonicContact NH2-OD1 3.05Å; E148-D152 PolarHBondContact O-N 3.26Å; D152-I154 VanDerWaalsContact C-N 3.35Å; D152-S156 WeakPolarHBondContact O-CB 3.5Å; D152-S156 PolarHBondContact O-N 2.88Å; D152-S156 PolarHBondContact O-OG 3.31Å; D152-S156 VanDerWaalsContact O-OG 3.13Å
153K89.6Confident90Very high71 Ų7159.2 Ų59.231%0.30931%0.312SS..Hα-helixtrans-65.6-36.8177.8-174.9172.5174.8178.60112D143 L145 Q149 R150 V151 S156 K157D143-K153 IonicContact OD2-NZ 3.78Å; D143-K153 PolarHBondContact OD2-NZ 2.95Å; L145-K153 HydrophobicContact CD1-CD 3.57Å; Q149-K153 WeakPolarHBondContact O-CB 3.23Å; Q149-K153 PolarHBondContact O-N 3.47Å; R150-K153 PolarHBondContact O-N 3.41Å; V151-K153 VanDerWaalsContact C-N 3.29Å; V151-K153 PolarHBondContact O-N 2.88Å; K153-S156 PolarHBondContact O-OG 3.07Å; K153-K157 WeakPolarHBondContact O-CG 3.43Å
154I90.1Very high90.9Very high1 Ų159.6 Ų59.61%0.00531%0.314CS..Hα-helixtrans-70.2-50.2176.9-67.4163000110.3M121 I125 R150 V151 D152 S156 K157 M158 I166 L184M121-I154 HydrophobicContact CE-CG2 3.9Å; M121-I154 HydrophobicContact SD-CB 3.75Å; M121-I154 HydrophobicContact SD-CD1 3.79Å; M121-I154 HydrophobicContact SD-CG1 4.38Å; M121-I154 HydrophobicContact SD-CG2 3.37Å; M121-I154 WeakPolarHBondContact SD-CG2 3.36Å; I125-I154 HydrophobicContact CD1-CD1 3.81Å; R150-I154 HydrophobicContact CG-CD1 4.14Å; R150-I154 VanDerWaalsContact O-CG1 3.3Å; R150-I154 WeakPolarHBondContact O-CG1 3.44Å; R150-I154 PolarHBondContact O-N 2.76Å; V151-I154 PolarHBondContact O-N 3.32Å; V151-I154 VanDerWaalsContact O-N 3.07Å; D152-I154 VanDerWaalsContact C-N 3.35Å; I154-S156 VanDerWaalsContact C-N 3.35Å; I154-S156 PolarHBondContact O-N 2.86Å; I154-K157 PolarHBondContact O-N 3.3Å; I154-M158 HydrophobicContact CG2-CE 3.71Å; I154-M158 HydrophobicContact CG2-CG 4.03Å; I154-M158 HydrophobicContact CG2-SD 3.62Å; I154-M158 PolarHBondContact O-N 2.93Å; I154-I166 HydrophobicContact CG2-CD1 4.32Å; I154-L184 HydrophobicContact CD1-CB 4.48Å; I154-L184 HydrophobicContact CG1-CB 4.31Å; I154-L184 HydrophobicContact CG1-CD1 4.23Å
155F93.9Very high91.7Very high2 Ų259.5 Ų59.51%0.00930%0.299CS..Hα-helixtrans-60.6-42.4179.3-89.6-100.2000112R118 M121 V151 K157 M158 D159 D164 I166R118-F155 HydrophobicContact CB-CE2 4.3Å; R118-F155 HydrophobicContact CB-CZ 4.27Å; R118-F155 HydrophobicContact CG-CD1 3.92Å; R118-F155 HydrophobicContact CG-CD2 3.92Å; R118-F155 HydrophobicContact CG-CE1 3.7Å; R118-F155 HydrophobicContact CG-CE2 3.7Å; R118-F155 HydrophobicContact CG-CG 4.03Å; R118-F155 HydrophobicContact CG-CZ 3.6Å; M121-F155 HydrophobicContact CB-CE2 4.06Å; M121-F155 HydrophobicContact CE-CE2 4.17Å; M121-F155 HydrophobicContact CG-CE2 4.47Å; M121-F155 HydrophobicContact SD-CD2 4.03Å; M121-F155 HydrophobicContact SD-CE2 3.72Å; V151-F155 HydrophobicContact CG1-CD2 3.71Å; V151-F155 HydrophobicContact CG1-CE2 3.93Å; V151-F155 WeakPolarHBondContact O-CD2 3.26Å; V151-F155 PolarHBondContact O-N 2.9Å; F155-K157 PolarHBondContact O-N 3.36Å; F155-M158 PolarHBondContact O-N 2.61Å; F155-D159 HydrophobicContact CD1-CB 3.98Å; F155-D159 WeakPolarHBondContact O-CB 3.27Å; F155-D159 PolarHBondContact O-N 2.91Å; F155-D164 WeakPolarHBondContact CE1-O 3.29Å; F155-I166 HydrophobicContact CD1-CD1 4.05Å; F155-I166 HydrophobicContact CD1-CG1 4.15Å; F155-I166 HydrophobicContact CD2-CD1 3.87Å; F155-I166 HydrophobicContact CE1-CD1 3.84Å; F155-I166 HydrophobicContact CE1-CG1 3.82Å; F155-I166 HydrophobicContact CE2-CD1 3.66Å; F155-I166 HydrophobicContact CG-CD1 4.06Å; F155-I166 HydrophobicContact CZ-CD1 3.63Å; F155-I166 HydrophobicContact CZ-CG1 4.01Å
156S92.1Very high92.3Very high96 Ų9657.9 Ų57.967%0.67129%0.291SS*.Hα-helixtrans-61.4-19.6176.7660000114.4D152 K153 I154D152-S156 WeakPolarHBondContact O-CB 3.5Å; D152-S156 PolarHBondContact O-N 2.88Å; D152-S156 PolarHBondContact O-OG 3.31Å; D152-S156 VanDerWaalsContact O-OG 3.13Å; K153-S156 PolarHBondContact O-OG 3.07Å; I154-S156 VanDerWaalsContact C-N 3.35Å; I154-S156 PolarHBondContact O-N 2.86Å
157K89.2Confident92.8Very high78 Ų7857 Ų5734%0.33929%0.285SS..Hα-helixtrans-96.9-35.5176.8-73.2-173.2168.8-157.70113.7K153 I154 F155 D178 I181K153-K157 WeakPolarHBondContact O-CG 3.43Å; I154-K157 PolarHBondContact O-N 3.3Å; F155-K157 PolarHBondContact O-N 3.36Å; K157-D178 IonicContact NZ-OD2 2.6Å; K157-D178 PolarHBondContact NZ-OD2 3.37Å; K157-I181 HydrophobicContact CB-CD1 3.94Å; K157-I181 HydrophobicContact CD-CD1 4.02Å; K157-I181 HydrophobicContact CD-CG1 3.97Å
158M92.4Very high93.1Very high0 Ų058.2 Ų58.20%029%0.29CS..Hα-helixtrans-98-42-172.2-65.7-168.8-179.800113.7I154 F155 K160 I166 F171 A174 I181 L185I154-M158 HydrophobicContact CG2-CE 3.71Å; I154-M158 HydrophobicContact CG2-CG 4.03Å; I154-M158 HydrophobicContact CG2-SD 3.62Å; I154-M158 PolarHBondContact O-N 2.93Å; F155-M158 PolarHBondContact O-N 2.61Å; M158-K160 PolarHBondContact O-N 3.15Å; M158-I166 HydrophobicContact CB-CD1 3.79Å; M158-I166 HydrophobicContact CB-CG1 3.95Å; M158-I166 HydrophobicContact CB-CG2 4.18Å; M158-I166 HydrophobicContact CG-CD1 4.37Å; M158-I166 HydrophobicContact SD-CD1 3.79Å; M158-I166 HydrophobicContact SD-CG2 3.99Å; M158-F171 HydrophobicContact CE-CD2 3.98Å; M158-F171 HydrophobicContact CE-CE2 4.11Å; M158-F171 HydrophobicContact SD-CD2 3.91Å; M158-A174 HydrophobicContact CB-CB 4.24Å; M158-A174 HydrophobicContact CG-CB 3.63Å; M158-I181 HydrophobicContact CE-CG2 3.04Å; M158-L185 HydrophobicContact CE-CD1 3.98Å; M158-L185 HydrophobicContact CE-CD2 4.25Å; M158-L185 HydrophobicContact CE-CG 4.32Å
159D94.7Very high93.2Very high16 Ų1659.6 Ų59.69%0.08630%0.301CS..  trans-78.792.3-176.2176.17.3000109.3F155 N161 K162 D163 D164 I166F155-D159 HydrophobicContact CD1-CB 3.98Å; F155-D159 WeakPolarHBondContact O-CB 3.27Å; F155-D159 PolarHBondContact O-N 2.91Å; D159-N161 PolarHBondContact OD1-N 3.09Å; D159-N161 PolarHBondContact OD1-OD1 2.96Å; D159-N161 VanDerWaalsContact OD1-OD1 3.11Å; D159-K162 WeakPolarHBondContact OD1-CA 3.41Å; D159-K162 PolarHBondContact OD1-N 3.35Å; D159-K162 WeakPolarHBondContact OD2-CA 3.31Å; D159-D163 PolarHBondContact OD1-N 3.5Å; D159-D163 PolarHBondContact OD2-N 2.96Å; D159-D164 WeakPolarHBondContact OD2-CA 3.5Å; D159-D164 PolarHBondContact OD2-N 2.88Å; D159-I166 HydrophobicContact CB-CG1 4.3Å
160K91.1Very high93.4Very high111 Ų11156 Ų5648%0.48328%0.284SS..SBendtrans-79.4-34.9-174.5-68.1-173.7176.1-164.90111.8M158 E170 E173M158-K160 PolarHBondContact O-N 3.15Å; K160-E170 PolarHBondContact N-OE1 2.77Å; K160-E173 WeakPolarHBondContact CE-OE2 3.48Å; K160-E173 IonicContact NZ-OE1 3.81Å; K160-E173 PolarHBondContact NZ-OE1 3.5Å; K160-E173 IonicContact NZ-OE2 2.69Å; K160-E173 PolarHBondContact NZ-OE2 3.18Å
161N94.3Very high93.6Very high89 Ų8955.1 Ų55.148%0.47628%0.28SS..SBendtrans-86.5-13.5-174.774.627.3000111.9D159 D163 E170D159-N161 PolarHBondContact OD1-N 3.09Å; D159-N161 PolarHBondContact OD1-OD1 2.96Å; D159-N161 VanDerWaalsContact OD1-OD1 3.11Å; N161-D163 PolarHBondContact ND2-OD2 3.42Å; N161-D163 WeakPolarHBondContact OD1-CB 3.18Å; N161-D163 PolarHBondContact OD1-N 2.69Å; N161-D163 PolarHBondContact OD1-OD1 3.41Å; N161-D163 VanDerWaalsContact OD1-OD1 3.11Å; N161-D163 PolarHBondContact OD1-OD2 3.28Å; N161-E170 PolarHBondContact ND2-OE1 3.26Å
162K93.9Very high93.6Very high181 Ų18156.4 Ų56.479%0.78729%0.286SS*.  trans63.336.5-180-56-177.5178.7-178.30113.4D159 D164D159-K162 WeakPolarHBondContact OD1-CA 3.41Å; D159-K162 PolarHBondContact OD1-N 3.35Å; D159-K162 WeakPolarHBondContact OD2-CA 3.31Å; K162-D164 VanDerWaalsContact C-N 3.31Å
163D96.7Very high93.6Very high64 Ų6457.2 Ų57.234%0.34229%0.287SS..SBendtrans-916.5175.874.77.3000113.5D159 N161 Q165D159-D163 PolarHBondContact OD1-N 3.5Å; D159-D163 PolarHBondContact OD2-N 2.96Å; N161-D163 PolarHBondContact ND2-OD2 3.42Å; N161-D163 WeakPolarHBondContact OD1-CB 3.18Å; N161-D163 PolarHBondContact OD1-N 2.69Å; N161-D163 PolarHBondContact OD1-OD1 3.41Å; N161-D163 VanDerWaalsContact OD1-OD1 3.11Å; N161-D163 PolarHBondContact OD1-OD2 3.28Å; D163-Q165 PolarHBondContact O-N 3.41Å; D163-Q165 PolarHBondContact O-NE2 3.43Å; D163-Q165 VanDerWaalsContact O-NE2 3.16Å; D163-Q165 WeakPolarHBondContact OD1-CA 3.29Å; D163-Q165 WeakPolarHBondContact OD1-CB 3.15Å; D163-Q165 PolarHBondContact OD1-N 3.04Å; D163-Q165 VanDerWaalsContact OD1-O 3.1Å
164D95.4Very high93.6Very high81 Ų8153.8 Ų53.843%0.43327%0.272SS..SBendtrans65.319178.3-143.447.4000113.9R118 F155 D159 K162R118-D164 VanDerWaalsContact CD-OD1 3.26Å; R118-D164 WeakPolarHBondContact CD-OD1 3.37Å; R118-D164 WeakPolarHBondContact CD-OD2 3.5Å; R118-D164 IonicContact CZ-OD1 3.71Å; R118-D164 IonicContact NE-OD1 2.77Å; R118-D164 PolarHBondContact NE-OD1 3.3Å; R118-D164 IonicContact NE-OD2 3.64Å; R118-D164 IonicContact NH2-OD1 2.66Å; F155-D164 WeakPolarHBondContact CE1-O 3.29Å; D159-D164 WeakPolarHBondContact OD2-CA 3.5Å; D159-D164 PolarHBondContact OD2-N 2.88Å; K162-D164 VanDerWaalsContact C-N 3.31Å
165Q97.1Very high93.5Very high50 Ų5053.9 Ų53.923%0.23427%0.273CS..EExtended strand (participates in β ladder)trans-129154.2172.9-71.2149.588.100109.7K115 I116 T117 D163K115-Q165 HydrophobicContact CB-CB 4.3Å; K115-Q165 HydrophobicContact CD-CB 4.23Å; K115-Q165 HydrophobicContact CD-CG 4.31Å; I116-Q165 CarbonylContact O-C 3.59Å; I116-Q165 WeakPolarHBondContact O-CA 3.49Å; T117-Q165 HydrophobicContact CG2-CG 4.25Å; D163-Q165 PolarHBondContact O-N 3.41Å; D163-Q165 PolarHBondContact O-NE2 3.43Å; D163-Q165 VanDerWaalsContact O-NE2 3.16Å; D163-Q165 WeakPolarHBondContact OD1-CA 3.29Å; D163-Q165 WeakPolarHBondContact OD1-CB 3.15Å; D163-Q165 PolarHBondContact OD1-N 3.04Å; D163-Q165 VanDerWaalsContact OD1-O 3.1Å
166I96.3Very high93.2Very high0 Ų059.5 Ų59.50%030%0.297CS..EExtended strand (participates in β ladder)trans-117115.4173.4-64.1161.1000108K115 I116 M121 I154 F155 M158 D159 E170 F171K115-I166 CarbonylContact C-O 3.56Å; K115-I166 WeakPolarHBondContact CA-O 3.36Å; I116-I166 HydrophobicContact CB-CB 4.34Å; I116-I166 PolarHBondContact N-O 3.34Å; I116-I166 PolarHBondContact O-N 2.91Å; M121-I166 HydrophobicContact CE-CD1 3.77Å; M121-I166 HydrophobicContact SD-CD1 4.48Å; I154-I166 HydrophobicContact CG2-CD1 4.32Å; F155-I166 HydrophobicContact CD1-CD1 4.05Å; F155-I166 HydrophobicContact CD1-CG1 4.15Å; F155-I166 HydrophobicContact CD2-CD1 3.87Å; F155-I166 HydrophobicContact CE1-CD1 3.84Å; F155-I166 HydrophobicContact CE1-CG1 3.82Å; F155-I166 HydrophobicContact CE2-CD1 3.66Å; F155-I166 HydrophobicContact CG-CD1 4.06Å; F155-I166 HydrophobicContact CZ-CD1 3.63Å; F155-I166 HydrophobicContact CZ-CG1 4.01Å; M158-I166 HydrophobicContact CB-CD1 3.79Å; M158-I166 HydrophobicContact CB-CG1 3.95Å; M158-I166 HydrophobicContact CB-CG2 4.18Å; M158-I166 HydrophobicContact CG-CD1 4.37Å; M158-I166 HydrophobicContact SD-CD1 3.79Å; M158-I166 HydrophobicContact SD-CG2 3.99Å; D159-I166 HydrophobicContact CB-CG1 4.3Å; I166-E170 HydrophobicContact CG2-CB 4.17Å; I166-F171 HydrophobicContact CG2-CB 3.99Å; I166-F171 HydrophobicContact CG2-CD2 4.43Å
167T96.9Very high92.8Very high41 Ų4159.1 Ų59.125%0.25230%0.295SS..EExtended strand (participates in β ladder)trans-77.1161.8173.8600000111.7D169 E170 F171T167-D169 PolarHBondContact O-N 3.48Å; T167-E170 WeakPolarHBondContact CB-OE2 3.48Å; T167-E170 PolarHBondContact N-OE2 3.29Å; T167-E170 PolarHBondContact O-N 3.19Å; T167-E170 WeakPolarHBondContact OG1-CG 3.24Å; T167-E170 PolarHBondContact OG1-N 3.21Å; T167-E170 PolarHBondContact OG1-OE2 2.96Å; T167-F171 WeakPolarHBondContact O-CB 3.43Å; T167-F171 PolarHBondContact O-N 2.94Å
168L94.5Very high92.3Very high49 Ų4957.6 Ų57.626%0.25729%0.29SS..Hα-helixtrans-56.6-35.8174.8179.861.5000112.6F105 K172F105-L168 HydrophobicContact CB-CD1 3.69Å; F105-L168 HydrophobicContact CD1-CD1 4.06Å; F105-L168 HydrophobicContact CD2-CB 4.27Å; F105-L168 HydrophobicContact CD2-CD1 3.83Å; F105-L168 HydrophobicContact CE1-CB 4.36Å; F105-L168 HydrophobicContact CE2-CB 4.12Å; F105-L168 HydrophobicContact CG-CB 4.46Å; F105-L168 HydrophobicContact CG-CD1 3.57Å; F105-L168 HydrophobicContact CZ-CB 4.17Å; L168-K172 HydrophobicContact CD1-CD 4.34Å; L168-K172 HydrophobicContact CD1-CG 4.35Å; L168-K172 HydrophobicContact CG-CD 4.21Å; L168-K172 WeakPolarHBondContact O-CB 3.4Å; L168-K172 VanDerWaalsContact O-CG 3.29Å; L168-K172 WeakPolarHBondContact O-CG 3.3Å; L168-K172 PolarHBondContact O-N 3.03Å
169D94.9Very high91.5Very high123 Ų12361.9 Ų61.966%0.65832%0.318SS*.Hα-helixtrans-69.6-44178.6-74.3-22.4000111.6T167 K172 E173T167-D169 PolarHBondContact O-N 3.48Å; D169-K172 PolarHBondContact O-N 3.05Å; D169-E173 VanDerWaalsContact O-CB 3.29Å; D169-E173 WeakPolarHBondContact O-CB 3.27Å; D169-E173 PolarHBondContact O-N 3.43Å
170E95Very high90.4Very high16 Ų1663.3 Ų63.38%0.07533%0.329CS..Hα-helixtrans-61.7-43.9173.5-76.5165.5140.800111.7K160 N161 I166 T167 K172 E173 A174K160-E170 PolarHBondContact N-OE1 2.77Å; N161-E170 PolarHBondContact ND2-OE1 3.26Å; I166-E170 HydrophobicContact CG2-CB 4.17Å; T167-E170 WeakPolarHBondContact CB-OE2 3.48Å; T167-E170 PolarHBondContact N-OE2 3.29Å; T167-E170 PolarHBondContact O-N 3.19Å; T167-E170 WeakPolarHBondContact OG1-CG 3.24Å; T167-E170 PolarHBondContact OG1-N 3.21Å; T167-E170 PolarHBondContact OG1-OE2 2.96Å; E170-K172 PolarHBondContact O-N 3.07Å; E170-E173 PolarHBondContact O-N 2.98Å; E170-A174 WeakPolarHBondContact O-CB 3.39Å; E170-A174 PolarHBondContact O-N 3Å
171F93Very high89.4Confident0 Ų058.2 Ų58.20%031%0.307CS..Hα-helixtrans-59.1-47.6176.7-172.6-92000111.7L101 A104 F105 I116 M158 I166 T167 A175 L185L101-F171 HydrophobicContact CB-CE1 4.41Å; L101-F171 HydrophobicContact CD2-CE1 3.99Å; A104-F171 HydrophobicContact CB-CE1 4.37Å; A104-F171 HydrophobicContact CB-CZ 4.19Å; F105-F171 HydrophobicContact CB-CD1 4.31Å; F105-F171 HydrophobicContact CB-CE1 4.32Å; F105-F171 HydrophobicContact CD2-CB 3.82Å; F105-F171 HydrophobicContact CD2-CD1 4.22Å; F105-F171 HydrophobicContact CD2-CD2 4.16Å; F105-F171 AromaticContact CD2-CG 3.84Å; F105-F171 HydrophobicContact CD2-CG 3.84Å; F105-F171 HydrophobicContact CE2-CB 4.23Å; I116-F171 HydrophobicContact CD1-CD2 4.03Å; I116-F171 HydrophobicContact CD1-CE2 4.25Å; M158-F171 HydrophobicContact CE-CD2 3.98Å; M158-F171 HydrophobicContact CE-CE2 4.11Å; M158-F171 HydrophobicContact SD-CD2 3.91Å; I166-F171 HydrophobicContact CG2-CB 3.99Å; I166-F171 HydrophobicContact CG2-CD2 4.43Å; T167-F171 WeakPolarHBondContact O-CB 3.43Å; T167-F171 PolarHBondContact O-N 2.94Å; F171-A175 VanDerWaalsContact O-CB 3.3Å; F171-A175 WeakPolarHBondContact O-CB 3.33Å; F171-A175 PolarHBondContact O-N 3.38Å; F171-L185 HydrophobicContact CE1-CD1 4.19Å; F171-L185 HydrophobicContact CE2-CD1 3.52Å; F171-L185 HydrophobicContact CE2-CD2 3.8Å; F171-L185 HydrophobicContact CE2-CG 4.31Å; F171-L185 HydrophobicContact CZ-CD1 3.32Å; F171-L185 HydrophobicContact CZ-CD2 4.19Å; F171-L185 HydrophobicContact CZ-CG 4.36Å
172K91.4Very high88.2Confident33 Ų3355.1 Ų55.114%0.14329%0.292CS..Hα-helixtrans-65.6-43.4177.5-78.8174.7176.3169.20112.5E98 L101 N102 L168 D169 E170 K176E98-K172 WeakPolarHBondContact OE2-CD 3.36Å; E98-K172 VanDerWaalsContact OE2-CE 3.23Å; E98-K172 WeakPolarHBondContact OE2-CE 3.43Å; E98-K172 IonicContact OE2-NZ 3.65Å; L101-K172 HydrophobicContact CB-CG 4.44Å; L101-K172 HydrophobicContact CD1-CG 4.15Å; N102-K172 WeakPolarHBondContact OD1-CE 3.47Å; N102-K172 PolarHBondContact OD1-NZ 3.37Å; L168-K172 HydrophobicContact CD1-CD 4.34Å; L168-K172 HydrophobicContact CD1-CG 4.35Å; L168-K172 HydrophobicContact CG-CD 4.21Å; L168-K172 WeakPolarHBondContact O-CB 3.4Å; L168-K172 VanDerWaalsContact O-CG 3.29Å; L168-K172 WeakPolarHBondContact O-CG 3.3Å; L168-K172 PolarHBondContact O-N 3.03Å; D169-K172 PolarHBondContact O-N 3.05Å; E170-K172 PolarHBondContact O-N 3.07Å; K172-K176 WeakPolarHBondContact O-CB 3.44Å; K172-K176 VanDerWaalsContact O-CG 3.26Å; K172-K176 WeakPolarHBondContact O-CG 3.33Å; K172-K176 PolarHBondContact O-N 2.78Å
173E92.5Very high86.8Confident99 Ų9950.9 Ų50.946%0.46328%0.277SS..Hα-helixtrans-64-45.3179.8-164.9-173.9171.200110.7K160 D169 E170 K176 S177K160-E173 WeakPolarHBondContact CE-OE2 3.48Å; K160-E173 IonicContact NZ-OE1 3.81Å; K160-E173 PolarHBondContact NZ-OE1 3.5Å; K160-E173 IonicContact NZ-OE2 2.69Å; K160-E173 PolarHBondContact NZ-OE2 3.18Å; D169-E173 VanDerWaalsContact O-CB 3.29Å; D169-E173 WeakPolarHBondContact O-CB 3.27Å; D169-E173 PolarHBondContact O-N 3.43Å; E170-E173 PolarHBondContact O-N 2.98Å; E173-K176 PolarHBondContact O-N 3.06Å; E173-S177 WeakPolarHBondContact O-CB 3.4Å; E173-S177 PolarHBondContact O-N 2.94Å; E173-S177 PolarHBondContact O-OG 2.86Å
174A90.7Very high85Confident0 Ų048.7 Ų48.70%027%0.265CS..Hα-helixtrans-61-49.3177.400000111.3M158 E170 K176 S177 D178 I181M158-A174 HydrophobicContact CB-CB 4.24Å; M158-A174 HydrophobicContact CG-CB 3.63Å; E170-A174 WeakPolarHBondContact O-CB 3.39Å; E170-A174 PolarHBondContact O-N 3Å; A174-K176 VanDerWaalsContact C-N 3.25Å; A174-K176 PolarHBondContact O-N 2.96Å; A174-S177 PolarHBondContact O-N 3.41Å; A174-S177 VanDerWaalsContact O-N 3.15Å; A174-S177 PolarHBondContact O-OG 3.3Å; A174-D178 PolarHBondContact O-N 3.13Å; A174-I181 HydrophobicContact CB-CD1 3.74Å
175A87.6Confident83.3Confident2 Ų245.7 Ų45.72%0.01725%0.249CC..Hα-helixtrans-59.9-31.7177.300000113.8L101 F171 V182L101-A175 HydrophobicContact CD1-CB 3.88Å; L101-A175 HydrophobicContact CD2-CB 3.62Å; L101-A175 HydrophobicContact CG-CB 4.43Å; F171-A175 VanDerWaalsContact O-CB 3.3Å; F171-A175 WeakPolarHBondContact O-CB 3.33Å; F171-A175 PolarHBondContact O-N 3.38Å; A175-V182 HydrophobicContact CB-CG2 3.81Å
176K86.5Confident81.5Confident120 Ų12048.8 Ų48.852%0.52226%0.264SS..Hα-helixtrans-76.1-40.3174.5-74.4171.2-176.3173.70112.7F97 E98 K172 E173 A174F97-K176 HydrophobicContact CE1-CG 4.1Å; E98-K176 WeakPolarHBondContact OE1-CE 3.32Å; E98-K176 IonicContact OE1-NZ 3.81Å; E98-K176 PolarHBondContact OE1-NZ 3.48Å; K172-K176 WeakPolarHBondContact O-CB 3.44Å; K172-K176 VanDerWaalsContact O-CG 3.26Å; K172-K176 WeakPolarHBondContact O-CG 3.33Å; K172-K176 PolarHBondContact O-N 2.78Å; E173-K176 PolarHBondContact O-N 3.06Å; A174-K176 VanDerWaalsContact C-N 3.25Å; A174-K176 PolarHBondContact O-N 2.96Å
177S85.6Confident79.2Confident89 Ų8949.6 Ų49.662%0.62227%0.269SS*.Hα-helixtrans-74.6-32.4-176.268.50000113.3E173 A174E173-S177 WeakPolarHBondContact O-CB 3.4Å; E173-S177 PolarHBondContact O-N 2.94Å; E173-S177 PolarHBondContact O-OG 2.86Å; A174-S177 PolarHBondContact O-N 3.41Å; A174-S177 VanDerWaalsContact O-N 3.15Å; A174-S177 PolarHBondContact O-OG 3.3Å
178D78.6Confident76.5Confident45 Ų4552.3 Ų52.324%0.24128%0.282CS..  trans-140.395.4-175.8-177.6-1.7000109.1K157 A174 S180 I181K157-D178 IonicContact NZ-OD2 2.6Å; K157-D178 PolarHBondContact NZ-OD2 3.37Å; A174-D178 PolarHBondContact O-N 3.13Å; D178-S180 PolarHBondContact O-N 3.47Å; D178-S180 WeakPolarHBondContact OD1-CA 3.49Å; D178-S180 WeakPolarHBondContact OD1-CB 3.26Å; D178-S180 PolarHBondContact OD1-N 3.49Å; D178-S180 PolarHBondContact OD1-OG 2.88Å; D178-S180 PolarHBondContact OD2-OG 3.37Å; D178-I181 HydrophobicContact CB-CD1 3.84Å; D178-I181 HydrophobicContact CB-CG1 3.91Å; D178-I181 WeakPolarHBondContact O-CB 3.47Å; D178-I181 PolarHBondContact O-N 3.08Å
179P75.8Confident74.1Confident91 Ų9153.8 Ų53.859%0.59129%0.289SS*.Hα-helixtrans-56.2-21.5175.9-27.135.6000113.8I181 V182 L183P179-I181 PolarHBondContact O-N 2.69Å; P179-V182 WeakPolarHBondContact O-CB 3.45Å; P179-V182 PolarHBondContact O-N 3.05Å; P179-V182 VanDerWaalsContact O-N 3.09Å; P179-L183 PolarHBondContact O-N 2.85Å
180S71.2Confident70.9Confident46 Ų4656.2 Ų56.232%0.32230%0.297SS..Hα-helixtrans-66.3-22.9174.180.30000112.4D178 V182 L183 L184D178-S180 PolarHBondContact O-N 3.47Å; D178-S180 WeakPolarHBondContact OD1-CA 3.49Å; D178-S180 WeakPolarHBondContact OD1-CB 3.26Å; D178-S180 PolarHBondContact OD1-N 3.49Å; D178-S180 PolarHBondContact OD1-OG 2.88Å; D178-S180 PolarHBondContact OD2-OG 3.37Å; S180-V182 VanDerWaalsContact C-N 3.3Å; S180-L183 CarbonylContact O-C 3.51Å; S180-L183 WeakPolarHBondContact O-CA 3.3Å; S180-L183 WeakPolarHBondContact O-CB 3.41Å; S180-L183 PolarHBondContact O-N 2.81Å; S180-L183 VanDerWaalsContact O-N 3.14Å; S180-L184 WeakPolarHBondContact O-CG 3.48Å; S180-L184 PolarHBondContact O-N 3.17Å
181I69.8Low67.8Low4 Ų468.9 Ų68.92%0.02135%0.351CS..Hα-helixtrans-65.6-37.7172.3-69.7-179.5000110.7K157 M158 A174 D178 P179 L183 L184 L185K157-I181 HydrophobicContact CB-CD1 3.94Å; K157-I181 HydrophobicContact CD-CD1 4.02Å; K157-I181 HydrophobicContact CD-CG1 3.97Å; M158-I181 HydrophobicContact CE-CG2 3.04Å; A174-I181 HydrophobicContact CB-CD1 3.74Å; D178-I181 HydrophobicContact CB-CD1 3.84Å; D178-I181 HydrophobicContact CB-CG1 3.91Å; D178-I181 WeakPolarHBondContact O-CB 3.47Å; D178-I181 PolarHBondContact O-N 3.08Å; P179-I181 PolarHBondContact O-N 2.69Å; I181-L183 VanDerWaalsContact C-N 3.25Å; I181-L183 PolarHBondContact O-N 2.97Å; I181-L184 WeakPolarHBondContact O-CB 3.46Å; I181-L184 PolarHBondContact O-N 3.12Å; I181-L185 HydrophobicContact CG2-CD1 4.31Å; I181-L185 WeakPolarHBondContact O-CG 3.37Å; I181-L185 PolarHBondContact O-N 3.15Å; I181-L185 VanDerWaalsContact O-N 3.1Å
182V68.8Low66.6Low24 Ų2472.3 Ų72.315%0.14537%0.369CS..Hα-helixtrans-63.4-36.3172.7-176.20000110.5A175 P179 S180 L184 L185 Q186A175-V182 HydrophobicContact CB-CG2 3.81Å; P179-V182 WeakPolarHBondContact O-CB 3.45Å; P179-V182 PolarHBondContact O-N 3.05Å; P179-V182 VanDerWaalsContact O-N 3.09Å; S180-V182 VanDerWaalsContact C-N 3.3Å; V182-L184 VanDerWaalsContact C-N 3.34Å; V182-L185 PolarHBondContact O-N 3.13Å; V182-Q186 HydrophobicContact CG1-CG 4.28Å; V182-Q186 VanDerWaalsContact O-CB 3.3Å; V182-Q186 WeakPolarHBondContact O-CB 3.47Å; V182-Q186 WeakPolarHBondContact O-CG 3.19Å; V182-Q186 PolarHBondContact O-N 3.16Å
183L64.3Low65.3Low92 Ų9274.4 Ų74.448%0.48238%0.381SS..Hα-helixtrans-70.7-25.5172.5-59.2173.9000113.3P179 S180 I181 L185 Q186P179-L183 PolarHBondContact O-N 2.85Å; S180-L183 CarbonylContact O-C 3.51Å; S180-L183 WeakPolarHBondContact O-CA 3.3Å; S180-L183 WeakPolarHBondContact O-CB 3.41Å; S180-L183 PolarHBondContact O-N 2.81Å; S180-L183 VanDerWaalsContact O-N 3.14Å; I181-L183 VanDerWaalsContact C-N 3.25Å; I181-L183 PolarHBondContact O-N 2.97Å; L183-L185 VanDerWaalsContact C-N 3.3Å; L183-Q186 CarbonylContact C-O 3.41Å; L183-Q186 CarbonylContact O-C 3.5Å; L183-Q186 VanDerWaalsContact O-C 3.29Å
184L58.5Low63.8Low17 Ų1773 Ų739%0.08938%0.376CS..Hα-helixtrans-71.5-31.4172.1-70.2173.5000111.3I154 S180 I181 V182I154-L184 HydrophobicContact CD1-CB 4.48Å; I154-L184 HydrophobicContact CG1-CB 4.31Å; I154-L184 HydrophobicContact CG1-CD1 4.23Å; S180-L184 WeakPolarHBondContact O-CG 3.48Å; S180-L184 PolarHBondContact O-N 3.17Å; I181-L184 WeakPolarHBondContact O-CB 3.46Å; I181-L184 PolarHBondContact O-N 3.12Å; V182-L184 VanDerWaalsContact C-N 3.34Å
185L60.9Low62.2Low19 Ų1977.3 Ų77.310%0.09940%0.398CS..Hα-helixtrans-83.2-35.5177.6-62.8164.5000112.3Y108 M158 F171 I181 V182 L183 C187Y108-L185 HydrophobicContact CD2-CD2 4.21Å; Y108-L185 HydrophobicContact CE1-CD2 4.28Å; Y108-L185 HydrophobicContact CE2-CB 4.4Å; Y108-L185 HydrophobicContact CE2-CD2 3.52Å; Y108-L185 PolarHBondContact OH-O 3.22Å; M158-L185 HydrophobicContact CE-CD1 3.98Å; M158-L185 HydrophobicContact CE-CD2 4.25Å; M158-L185 HydrophobicContact CE-CG 4.32Å; F171-L185 HydrophobicContact CE1-CD1 4.19Å; F171-L185 HydrophobicContact CE2-CD1 3.52Å; F171-L185 HydrophobicContact CE2-CD2 3.8Å; F171-L185 HydrophobicContact CE2-CG 4.31Å; F171-L185 HydrophobicContact CZ-CD1 3.32Å; F171-L185 HydrophobicContact CZ-CD2 4.19Å; F171-L185 HydrophobicContact CZ-CG 4.36Å; I181-L185 HydrophobicContact CG2-CD1 4.31Å; I181-L185 WeakPolarHBondContact O-CG 3.37Å; I181-L185 PolarHBondContact O-N 3.15Å; I181-L185 VanDerWaalsContact O-N 3.1Å; V182-L185 PolarHBondContact O-N 3.13Å; L183-L185 VanDerWaalsContact C-N 3.3Å; L185-C187 PolarHBondContact O-N 2.6Å
186Q59.1Low60.6Low115 Ų11582 Ų8254%0.53742%0.422SS..SBendtrans-91.383.3169.5-64.6176.8-3.100106.8V182 L183 D188V182-Q186 HydrophobicContact CG1-CG 4.28Å; V182-Q186 VanDerWaalsContact O-CB 3.3Å; V182-Q186 WeakPolarHBondContact O-CB 3.47Å; V182-Q186 WeakPolarHBondContact O-CG 3.19Å; V182-Q186 PolarHBondContact O-N 3.16Å; L183-Q186 CarbonylContact C-O 3.41Å; L183-Q186 CarbonylContact O-C 3.5Å; L183-Q186 VanDerWaalsContact O-C 3.29Å; Q186-D188 VanDerWaalsContact C-N 3.34Å; Q186-D188 PolarHBondContact O-N 2.99Å
187C47.8Very low58.9Low16 Ų1679.5 Ų79.511%0.10842%0.415CS..  trans-45.6112.4159.1-77.60000106.3I128 M140 L185 I189I128-C187 HydrophobicContact CG2-CB 3.49Å; I128-C187 VanDerWaalsContact CG2-CB 3.49Å; I128-C187 WeakPolarHBondContact CG2-SG 3.48Å; M140-C187 HydrophobicContact CE-CB 3.45Å; M140-C187 VanDerWaalsContact CE-CB 3.45Å; L185-C187 PolarHBondContact O-N 2.6Å; C187-I189 VanDerWaalsContact O-CG1 3.25Å; C187-I189 WeakPolarHBondContact O-CG1 3.45Å; C187-I189 PolarHBondContact O-N 2.98Å
188D40Very low56.9Low99 Ų9978.8 Ų78.853%0.52940%0.401SS..  trans-59.176.6-170-137.2-15.3000111.6M140 Q186 Q190M140-D188 HydrophobicContact CE-CB 4.31Å; M140-D188 VanDerWaalsContact CE-O 3.26Å; M140-D188 WeakPolarHBondContact CE-O 3.28Å; Q186-D188 VanDerWaalsContact C-N 3.34Å; Q186-D188 PolarHBondContact O-N 2.99Å; D188-Q190 PolarHBondContact O-N 3.04Å
189I43.3Very low55.3Low80 Ų8081.4 Ų81.441%0.4141%0.413SS..  trans-76.1-1.8-177.3-71.1156.8000110.5F56 M131 V132 M140 C187F56-I189 HydrophobicContact CE1-CG2 3.85Å; F56-I189 HydrophobicContact CZ-CD1 4.41Å; F56-I189 HydrophobicContact CZ-CG2 3.92Å; M131-I189 HydrophobicContact CE-CD1 3.68Å; V132-I189 HydrophobicContact CG1-CD1 4.32Å; V132-I189 HydrophobicContact CG1-CG1 3.96Å; M140-I189 HydrophobicContact CE-CG1 4.27Å; C187-I189 VanDerWaalsContact O-CG1 3.25Å; C187-I189 WeakPolarHBondContact O-CG1 3.45Å; C187-I189 PolarHBondContact O-N 2.98Å
190Q29Very low53.6Low174 Ų17480.6 Ų80.681%0.81340%0.398SS*.  trans-106.182.6-177.1-65.5-162.7-23.100113D188D188-Q190 PolarHBondContact O-N 3.04Å
191K30.2Very low52Low281 Ų28183.7 Ų83.7100%1.22241%0.405SS*.  trans-144.10140.8-74.3-164.2-176.1170.70111.1

Retrieved 191 of 191 residues in 613.8 ms (Link to these results)

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