A0A087XFJ8_POEFO Loading...

Cholinergic receptor nicotinic alpha 10 subunit

AlphaFold DB , UniProt , Accession A0A087XFJ8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 507 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1C43.6Very low72Confident183 Ų183118.8 Ų118.8100%1.23664%0.643SS**  0135.60-52.30000108.8
2K48.4Very low73.6Confident214 Ų214109 Ų10993%0.9359%0.59SS**PPolyproline II helixtrans-77.9121.4164.5-68.9179.9178.9178.70106.3
3G55.9Low74.9Confident67 Ų67105.6 Ų105.669%0.69157%0.571SS**PPolyproline II helixtrans-74.4141.8172.400000109.6
4A63.2Low76.1Confident39 Ų39104.4 Ų104.432%0.32257%0.569SS.*PPolyproline II helixtrans-58.4142.8175.400000110.7A6 D78A4-A6 PolarHBondContact O-N 3.35Å; A4-D78 WeakPolarHBondContact CA-OD2 3.31Å; A4-D78 HydrophobicContact CB-CB 4.07Å
5Y71.1Confident77.2Confident174 Ų174102.1 Ų102.168%0.68256%0.556SS**PPolyproline II helixtrans-64.1130.5178.9-68.7-88.2000110.6K7 Y8 D78Y5-K7 PolarHBondContact O-N 3.47Å; Y5-Y8 HydrophobicContact CD2-CE2 4.35Å; Y5-Y8 PolarHBondContact O-N 2.87Å; Y5-D78 WeakPolarHBondContact CD2-OD2 3.47Å; Y5-D78 PolarHBondContact N-OD2 3.1Å
6A76.4Confident78.1Confident82 Ų8297.2 Ų97.268%0.67853%0.529SS*.Hα-helixtrans-53.3-25.4-177.500000114.3A4 Y8 A9 Q10A4-A6 PolarHBondContact O-N 3.35Å; A6-Y8 VanDerWaalsContact C-N 3.32Å; A6-Y8 PolarHBondContact O-N 3.27Å; A6-A9 PolarHBondContact O-N 3.42Å; A6-Q10 PolarHBondContact O-N 3.1Å; A6-Q10 VanDerWaalsContact O-N 3.08Å
7K83.4Confident78.9Confident171 Ų17194.5 Ų94.574%0.74351%0.513SS*.Hα-helixtrans-59.1-37172.8-171.7179179.3-176.60113Y5 K11Y5-K7 PolarHBondContact O-N 3.47Å; K7-K11 WeakPolarHBondContact O-CB 3.47Å; K7-K11 PolarHBondContact O-N 3.45Å
8Y85.2Confident79.5Confident98 Ų9893.3 Ų93.338%0.38452%0.518SS..Hα-helixtrans-71.8-36.6177-69.8-68.9000112.1Y5 A6 K11 L12 D78Y5-Y8 HydrophobicContact CD2-CE2 4.35Å; Y5-Y8 PolarHBondContact O-N 2.87Å; A6-Y8 VanDerWaalsContact C-N 3.32Å; A6-Y8 PolarHBondContact O-N 3.27Å; Y8-K11 PolarHBondContact O-N 3.47Å; Y8-L12 WeakPolarHBondContact O-CB 3.42Å; Y8-L12 PolarHBondContact O-N 3.24Å; Y8-D78 HydrophobicContact CD2-CB 3.48Å; Y8-D78 VanDerWaalsContact CD2-CB 3.48Å; Y8-D78 HydrophobicContact CE2-CB 3.85Å; Y8-D78 HydrophobicContact CG-CB 3.98Å
9A85.6Confident79.9Confident38 Ų3897.1 Ų97.131%0.31454%0.537SS..Hα-helixtrans-64.4-41.4174.100000112A6 L13 L80A6-A9 PolarHBondContact O-N 3.42Å; A9-L13 WeakPolarHBondContact O-CB 3.25Å; A9-L13 PolarHBondContact O-N 2.84Å; A9-L80 HydrophobicContact CB-CD2 3.89Å
10Q87.9Confident80.5Confident141 Ų14193.9 Ų93.966%0.65952%0.517SS*.Hα-helixtrans-67.1-38.5174.4-172179.1600112.2A6 T14A6-Q10 PolarHBondContact O-N 3.1Å; A6-Q10 VanDerWaalsContact O-N 3.08Å; Q10-T14 PolarHBondContact O-N 3.02Å; Q10-T14 VanDerWaalsContact O-N 3.14Å; Q10-T14 PolarHBondContact O-OG1 2.92Å
11K90.9Very high81Confident100 Ų10093 Ų9344%0.43551%0.514SS..Hα-helixtrans-62-52.9174-169.1-162.5171.9-940110.5K7 Y8 L13 T14 D15 Y77K7-K11 WeakPolarHBondContact O-CB 3.47Å; K7-K11 PolarHBondContact O-N 3.45Å; Y8-K11 PolarHBondContact O-N 3.47Å; K11-L13 VanDerWaalsContact C-N 3.32Å; K11-L13 PolarHBondContact O-N 3.46Å; K11-T14 WeakPolarHBondContact O-CA 3.33Å; K11-T14 WeakPolarHBondContact O-CB 3.3Å; K11-T14 PolarHBondContact O-N 2.96Å; K11-D15 WeakPolarHBondContact CE-OD2 3.3Å; K11-D15 WeakPolarHBondContact CG-OD2 3.22Å; K11-D15 IonicContact NZ-OD2 2.71Å; K11-D15 PolarHBondContact NZ-OD2 3.49Å; K11-D15 VanDerWaalsContact O-CG 3.27Å; K11-D15 PolarHBondContact O-N 2.94Å; K11-Y77 HydrophobicContact CD-CE1 4.23Å
12L91.1Very high83.2Confident1 Ų186.8 Ų86.81%0.00547%0.473CS..Hα-helixtrans-53.5-47.1178177.862.8000112Y8 T14 D15 L16 W72 Y77 L80 I83Y8-L12 WeakPolarHBondContact O-CB 3.42Å; Y8-L12 PolarHBondContact O-N 3.24Å; L12-T14 VanDerWaalsContact C-N 3.27Å; L12-T14 PolarHBondContact O-N 3.34Å; L12-D15 PolarHBondContact O-N 3.5Å; L12-L16 HydrophobicContact CD1-CD1 3.8Å; L12-L16 HydrophobicContact CD1-CD2 4.4Å; L12-L16 HydrophobicContact CD1-CG 3.83Å; L12-L16 HydrophobicContact CD2-CD1 4.46Å; L12-L16 HydrophobicContact CG-CD1 3.82Å; L12-L16 HydrophobicContact CG-CG 4.25Å; L12-L16 WeakPolarHBondContact O-CB 3.43Å; L12-L16 VanDerWaalsContact O-CG 3.31Å; L12-L16 WeakPolarHBondContact O-CG 3.41Å; L12-L16 PolarHBondContact O-N 2.97Å; L12-W72 HydrophobicContact CD1-CB 3.69Å; L12-W72 HydrophobicContact CD1-CD2 3.9Å; L12-W72 HydrophobicContact CD1-CE3 4.38Å; L12-W72 HydrophobicContact CD1-CG 3.57Å; L12-W72 HydrophobicContact CD2-CD2 3.72Å; L12-W72 HydrophobicContact CD2-CE3 4.29Å; L12-W72 HydrophobicContact CD2-CG 4.02Å; L12-W72 HydrophobicContact CD2-CH2 4.49Å; L12-W72 HydrophobicContact CD2-CZ2 3.95Å; L12-W72 HydrophobicContact CG-CD2 4.39Å; L12-W72 HydrophobicContact CG-CG 4.45Å; L12-Y77 HydrophobicContact CB-CD1 3.6Å; L12-Y77 HydrophobicContact CB-CE1 3.77Å; L12-Y77 HydrophobicContact CB-CG 4.2Å; L12-Y77 HydrophobicContact CD1-CD1 4.08Å; L12-Y77 HydrophobicContact CD1-CD2 3.97Å; L12-Y77 HydrophobicContact CD1-CE1 3.89Å; L12-Y77 HydrophobicContact CD1-CE2 3.81Å; L12-Y77 HydrophobicContact CD1-CG 4.11Å; L12-Y77 HydrophobicContact CG-CD1 4.34Å; L12-Y77 HydrophobicContact CG-CE1 4.44Å; L12-L80 HydrophobicContact CD2-CD2 3.69Å; L12-L80 HydrophobicContact CD2-CG 4.35Å; L12-I83 HydrophobicContact CD2-CD1 4.43Å; L12-I83 HydrophobicContact CD2-CG2 3.83Å
13L91.4Very high85.1Confident65 Ų6580.3 Ų80.334%0.3446%0.459SS..Hα-helixtrans-60.3-38.7177.6-178.558.3000112.1A9 K11 M17 I85A9-L13 WeakPolarHBondContact O-CB 3.25Å; A9-L13 PolarHBondContact O-N 2.84Å; K11-L13 VanDerWaalsContact C-N 3.32Å; K11-L13 PolarHBondContact O-N 3.46Å; L13-M17 HydrophobicContact CD1-CE 4.02Å; L13-M17 HydrophobicContact CD1-CG 3.82Å; L13-M17 VanDerWaalsContact O-CB 3.28Å; L13-M17 WeakPolarHBondContact O-CB 3.12Å; L13-M17 WeakPolarHBondContact O-CG 3.08Å; L13-M17 PolarHBondContact O-N 2.8Å; L13-M17 VanDerWaalsContact O-N 3.12Å; L13-I85 HydrophobicContact CD1-CD1 4.36Å; L13-I85 HydrophobicContact CD1-CG2 3.85Å; L13-I85 HydrophobicContact CD2-CG2 4.37Å
14T91.5Very high86.7Confident89 Ų8982.7 Ų82.755%0.54646%0.456SS..Hα-helixtrans-68.4-44.7177.4-49.20000111.2Q10 K11 L12 M17 A18Q10-T14 PolarHBondContact O-N 3.02Å; Q10-T14 VanDerWaalsContact O-N 3.14Å; Q10-T14 PolarHBondContact O-OG1 2.92Å; K11-T14 WeakPolarHBondContact O-CA 3.33Å; K11-T14 WeakPolarHBondContact O-CB 3.3Å; K11-T14 PolarHBondContact O-N 2.96Å; L12-T14 VanDerWaalsContact C-N 3.27Å; L12-T14 PolarHBondContact O-N 3.34Å; T14-M17 PolarHBondContact O-N 3.43Å; T14-A18 PolarHBondContact O-N 2.94Å
15D92.1Very high88.1Confident70 Ų7082.5 Ų82.537%0.37445%0.446SS..Hα-helixtrans-65.2-43.6-178.9-64.9-21.4000111.3K11 L12 Y77K11-D15 WeakPolarHBondContact CE-OD2 3.3Å; K11-D15 WeakPolarHBondContact CG-OD2 3.22Å; K11-D15 IonicContact NZ-OD2 2.71Å; K11-D15 PolarHBondContact NZ-OD2 3.49Å; K11-D15 VanDerWaalsContact O-CG 3.27Å; K11-D15 PolarHBondContact O-N 2.94Å; L12-D15 PolarHBondContact O-N 3.5Å; D15-Y77 PolarHBondContact OD2-OH 3.26Å
16L91.2Very high89.2Confident23 Ų2374.4 Ų74.412%0.1242%0.415CS..Hα-helixtrans-66.4-42.7176.9-71.5175.3000112.5L12 A18 Y20 L70 W72 I83L12-L16 HydrophobicContact CD1-CD1 3.8Å; L12-L16 HydrophobicContact CD1-CD2 4.4Å; L12-L16 HydrophobicContact CD1-CG 3.83Å; L12-L16 HydrophobicContact CD2-CD1 4.46Å; L12-L16 HydrophobicContact CG-CD1 3.82Å; L12-L16 HydrophobicContact CG-CG 4.25Å; L12-L16 WeakPolarHBondContact O-CB 3.43Å; L12-L16 VanDerWaalsContact O-CG 3.31Å; L12-L16 WeakPolarHBondContact O-CG 3.41Å; L12-L16 PolarHBondContact O-N 2.97Å; L16-A18 VanDerWaalsContact C-N 3.32Å; L16-A18 PolarHBondContact O-N 3.28Å; L16-Y20 WeakPolarHBondContact O-CB 3.43Å; L16-L70 HydrophobicContact CB-CD2 4.21Å; L16-W72 HydrophobicContact CD1-CE3 3.9Å; L16-W72 HydrophobicContact CD1-CZ3 4.19Å; L16-W72 HydrophobicContact CD2-CE3 4.49Å; L16-I83 HydrophobicContact CD1-CD1 3.92Å
17M91.9Very high89.9Confident51 Ų5171.6 Ų71.625%0.25139%0.389SS..Hα-helixtrans-80.3-10.2-174.4-66.3-67.8164.200113.9L13 T14 N19 Y20 L70 I85 V90L13-M17 HydrophobicContact CD1-CE 4.02Å; L13-M17 HydrophobicContact CD1-CG 3.82Å; L13-M17 VanDerWaalsContact O-CB 3.28Å; L13-M17 WeakPolarHBondContact O-CB 3.12Å; L13-M17 WeakPolarHBondContact O-CG 3.08Å; L13-M17 PolarHBondContact O-N 2.8Å; L13-M17 VanDerWaalsContact O-N 3.12Å; T14-M17 PolarHBondContact O-N 3.43Å; M17-N19 VanDerWaalsContact C-N 3.31Å; M17-N19 PolarHBondContact O-N 2.98Å; M17-Y20 HydrophobicContact SD-CD1 4.1Å; M17-L70 HydrophobicContact CE-CD2 4.48Å; M17-I85 HydrophobicContact CE-CD1 3.36Å; M17-V90 HydrophobicContact CE-CG1 4.2Å
18A90Very high90.1Very high74 Ų7469.5 Ų69.561%0.61238%0.382SS*.THydrogen-bonded Turntrans-61.8-34.4-177.500000114.1T14 L16T14-A18 PolarHBondContact O-N 2.94Å; L16-A18 VanDerWaalsContact C-N 3.32Å; L16-A18 PolarHBondContact O-N 3.28Å
19N87.3Confident90.3Very high165 Ų16569.4 Ų69.488%0.88239%0.389SS*.SBendtrans-121.89.7-178.5-72.5-29.2000113.2M17M17-N19 VanDerWaalsContact C-N 3.31Å; M17-N19 PolarHBondContact O-N 2.98Å
20Y92.3Very high90.4Very high33 Ų3373.1 Ų73.113%0.12941%0.407CS..  trans-91.8145.9-176.2-173.8-95.5000112.1L16 M17 D67 H69 L70 W91L16-Y20 WeakPolarHBondContact O-CB 3.43Å; M17-Y20 HydrophobicContact SD-CD1 4.1Å; Y20-D67 VanDerWaalsContact CE2-OD2 3.24Å; Y20-D67 WeakPolarHBondContact CE2-OD2 3.2Å; Y20-D67 PolarHBondContact OH-OD2 3.48Å; Y20-H69 HydrophobicContact CD2-CB 3.96Å; Y20-H69 HydrophobicContact CE2-CB 4.19Å; Y20-L70 HydrophobicContact CD2-CD1 4.29Å; Y20-L70 HydrophobicContact CD2-CD2 3.59Å; Y20-L70 HydrophobicContact CD2-CG 3.81Å; Y20-L70 HydrophobicContact CE1-CD1 4.44Å; Y20-L70 HydrophobicContact CE2-CD1 3.67Å; Y20-L70 HydrophobicContact CE2-CD2 3.85Å; Y20-L70 HydrophobicContact CE2-CG 3.53Å; Y20-L70 HydrophobicContact CG-CD2 4Å; Y20-W91 PolarHBondContact OH-N 3.11Å
21T90.5Very high90.5Very high74 Ų7473.3 Ų73.345%0.45441%0.413SS..  trans-133.4124.7170.7179.50000110.7A23 L24T21-A23 PolarHBondContact O-N 3.39Å; T21-A23 PolarHBondContact OG1-N 3.39Å; T21-L24 HydrophobicContact CG2-CB 4.27Å; T21-L24 HydrophobicContact CG2-CD1 4Å; T21-L24 HydrophobicContact CG2-CG 4.18Å
22S90.1Very high90.6Very high53 Ų5372.3 Ų72.337%0.37141%0.412SS..THydrogen-bonded Turntrans-75.7-6177.253.50000113.9W91S22-W91 WeakPolarHBondContact O-CA 3.4Å; S22-W91 WeakPolarHBondContact O-CB 3.49Å
23A88.6Confident90.7Very high78 Ų7876.3 Ų76.365%0.64543%0.433SS*.THydrogen-bonded Turntrans-83.7-13.5-177.200000114.3T21T21-A23 PolarHBondContact O-N 3.39Å; T21-A23 PolarHBondContact OG1-N 3.39Å
24L90Very high90.8Very high118 Ų11873.6 Ų73.662%0.61842%0.419SS*.SBendtrans-117.6145.8-176.5-64.3177.6000111.3T21T21-L24 HydrophobicContact CG2-CB 4.27Å; T21-L24 HydrophobicContact CG2-CD1 4Å; T21-L24 HydrophobicContact CG2-CG 4.18Å
25R92.6Very high91Very high35 Ų3573.4 Ų73.413%0.13241%0.414CS..  trans-63.1128.6177-17817858112.79110V27 T30 N32 L34 W91 Y156 Q160R25-V27 VanDerWaalsContact C-N 3.32Å; R25-V27 HydrophobicContact CG-CG1 4.41Å; R25-V27 PolarHBondContact O-N 2.87Å; R25-T30 PolarHBondContact NH2-O 3.1Å; R25-N32 PolarHBondContact NH1-O 2.65Å; R25-L34 HydrophobicContact CG-CB 4.45Å; R25-L34 HydrophobicContact CG-CD2 4.04Å; R25-W91 HydrophobicContact CB-CZ2 4.36Å; R25-W91 HydrophobicContact CG-CZ2 4.13Å; R25-Y156 HydrophobicContact CB-CE1 4.43Å; R25-Q160 PolarHBondContact NH1-O 2.86Å
26P92.3Very high91.2Very high4 Ų470.1 Ų70.13%0.02640%0.396CS..  trans-84.664.9-166.134.2-39.4000113.9D67 A68 W91P26-D67 HydrophobicContact CB-CB 3.99Å; P26-D67 WeakPolarHBondContact CB-OD1 3.43Å; P26-D67 WeakPolarHBondContact CB-OD2 3.43Å; P26-D67 HydrophobicContact CG-CB 4.21Å; P26-A68 PolarHBondContact O-N 3.27Å; P26-W91 HydrophobicContact CG-CD2 4.12Å; P26-W91 HydrophobicContact CG-CE3 3.68Å; P26-W91 HydrophobicContact CG-CZ3 4.19Å
27V91.5Very high91.4Very high22 Ų2271.1 Ų71.113%0.13340%0.404CS..  trans-114.6149.3176-67.50000111.3R25 D29 L34R25-V27 VanDerWaalsContact C-N 3.32Å; R25-V27 HydrophobicContact CG-CG1 4.41Å; R25-V27 PolarHBondContact O-N 2.87Å; V27-D29 WeakPolarHBondContact CB-O 3.32Å; V27-D29 WeakPolarHBondContact CG2-O 3.39Å; V27-L34 HydrophobicContact CG1-CB 4.23Å; V27-L34 HydrophobicContact CG1-CD1 4.48Å
28E88.3Confident91.6Very high128 Ų12868.7 Ų68.760%0.59839%0.392SS*.SBendtrans-69.1-50.4174.9-59.7178-16700110.6A68 R71E28-A68 HydrophobicContact CG-CB 3.49Å; E28-A68 VanDerWaalsContact CG-CB 3.49Å; E28-R71 IonicContact OE1-CZ 3.2Å; E28-R71 IonicContact OE1-NH1 3.51Å; E28-R71 PolarHBondContact OE1-NH1 3.42Å; E28-R71 IonicContact OE1-NH2 3.17Å
29D90.1Very high91.8Very high96 Ų9666.9 Ų66.951%0.51337%0.371SS..SBendtrans-107.4138.7170.9-61.8-64.5000111.3V27 N31 N32V27-D29 WeakPolarHBondContact CB-O 3.32Å; V27-D29 WeakPolarHBondContact CG2-O 3.39Å; D29-N31 PolarHBondContact O-N 3.28Å; D29-N31 VanDerWaalsContact O-N 3.16Å; D29-N32 PolarHBondContact O-N 2.71Å; D29-N32 VanDerWaalsContact O-N 3.1Å; D29-N32 PolarHBondContact OD2-ND2 3.35Å
30T87.8Confident92.2Very high115 Ų11559 Ų5971%0.70633%0.329SS*.THydrogen-bonded Turntrans-62.9-22.1176.450.80000113.8R25R25-T30 PolarHBondContact NH2-O 3.1Å
31N89.2Confident92.2Very high145 Ų14558.1 Ų58.178%0.77533%0.327SS*.THydrogen-bonded Turntrans-80.5-15.2177.3-66.3-29000113.8D29D29-N31 PolarHBondContact O-N 3.28Å; D29-N31 VanDerWaalsContact O-N 3.16Å
32N92.4Very high92.5Very high79 Ų7954.6 Ų54.642%0.42231%0.305SS..SBendtrans-76.9135.9-179.9-68.1-20.7000110R25 D29R25-N32 PolarHBondContact NH1-O 2.65Å; D29-N32 PolarHBondContact O-N 2.71Å; D29-N32 VanDerWaalsContact O-N 3.1Å; D29-N32 PolarHBondContact OD2-ND2 3.35Å
33I92.7Very high92.6Very high86 Ų8653 Ų5344%0.44129%0.294SS..PPolyproline II helixtrans-76.3134176.3-57.1173.8000108.8D162I33-D162 HydrophobicContact CG2-CB 3.7Å
34L94.5Very high92.9Very high8 Ų852.9 Ų52.94%0.04228%0.28CS..EExtended strand (participates in β ladder)trans-88.6117.4172.1-179.169.2000109.9R25 V27 V36 F66 W91 Q160 L161 D162R25-L34 HydrophobicContact CG-CB 4.45Å; R25-L34 HydrophobicContact CG-CD2 4.04Å; V27-L34 HydrophobicContact CG1-CB 4.23Å; V27-L34 HydrophobicContact CG1-CD1 4.48Å; L34-V36 HydrophobicContact CD2-CG2 4.36Å; L34-V36 HydrophobicContact CG-CG2 4.38Å; L34-F66 WeakPolarHBondContact CD1-O 3.46Å; L34-W91 HydrophobicContact CD2-CE3 4.44Å; L34-W91 HydrophobicContact CD2-CH2 3.21Å; L34-W91 HydrophobicContact CD2-CZ2 4.16Å; L34-W91 HydrophobicContact CD2-CZ3 3.39Å; L34-Q160 PolarHBondContact N-O 3.03Å; L34-L161 CarbonylContact O-C 3.52Å; L34-L161 WeakPolarHBondContact O-CA 3.36Å; L34-D162 PolarHBondContact O-N 3.19Å
35N95.5Very high93.1Very high85 Ų8547.7 Ų47.746%0.45525%0.253SS..EExtended strand (participates in β ladder)trans-85.9123.4176.7-64.9-13.5000110.5D162 L164N35-D162 WeakPolarHBondContact CA-O 3.47Å; N35-L164 HydrophobicContact CB-CD1 4.07Å
36V96.3Very high93.1Very high0 Ų049.5 Ų49.50%026%0.264CS..EExtended strand (participates in β ladder)trans-115.5113.2175.6-177.90000109L34 W65 P93 I95 L161 D162 I163 L164L34-V36 HydrophobicContact CD2-CG2 4.36Å; L34-V36 HydrophobicContact CG-CG2 4.38Å; V36-W65 HydrophobicContact CG2-CB 4.12Å; V36-P93 HydrophobicContact CG1-CB 4.41Å; V36-P93 HydrophobicContact CG1-CG 4.02Å; V36-P93 HydrophobicContact CG2-CB 4.02Å; V36-P93 HydrophobicContact CG2-CG 4.25Å; V36-I95 HydrophobicContact CG1-CG1 4.49Å; V36-L161 HydrophobicContact CB-CD2 4.33Å; V36-L161 HydrophobicContact CG2-CD1 4.01Å; V36-L161 HydrophobicContact CG2-CD2 4.01Å; V36-L161 HydrophobicContact CG2-CG 3.9Å; V36-D162 PolarHBondContact N-O 3.27Å; V36-I163 WeakPolarHBondContact O-CA 3.29Å; V36-L164 PolarHBondContact O-N 2.8Å
37T96.6Very high93.1Very high45 Ų4553.3 Ų53.328%0.27629%0.285SS..EExtended strand (participates in β ladder)trans-87.6120176.7-580000109.9V64 L164 A166T37-V64 PolarHBondContact N-O 3.47Å; T37-V64 PolarHBondContact O-N 2.78Å; T37-L164 CarbonylContact C-O 3.42Å; T37-L164 WeakPolarHBondContact CA-O 3.3Å; T37-A166 HydrophobicContact CG2-CB 3.71Å
38L95.3Very high93.1Very high0 Ų052.7 Ų52.70%028%0.28CS..EExtended strand (participates in β ladder)trans-101127.6177.8-173.767.3000110.6V40 I61 Q63 Y151 I163 L164 A166 V205 Y207L38-V40 HydrophobicContact CD2-CG2 4.38Å; L38-V40 HydrophobicContact CG-CG2 4.26Å; L38-I61 HydrophobicContact CD1-CG2 3.62Å; L38-Q63 HydrophobicContact CD1-CG 3.95Å; L38-Y151 HydrophobicContact CD2-CD2 4.13Å; L38-Y151 HydrophobicContact CD2-CG 4Å; L38-I163 HydrophobicContact CB-CD1 4.2Å; L38-I163 HydrophobicContact CB-CG1 4.22Å; L38-I163 HydrophobicContact CD2-CD1 3.92Å; L38-L164 PolarHBondContact N-O 3.46Å; L38-A166 PolarHBondContact O-N 3.42Å; L38-V205 HydrophobicContact CD2-CB 4.37Å; L38-Y207 HydrophobicContact CD2-CE2 3.85Å; L38-Y207 HydrophobicContact CG-CE2 4.46Å; L38-Y207 PolarHBondContact O-OH 3.42Å
39Q94.9Very high93.2Very high35 Ų3548.8 Ų48.816%0.16426%0.264CS..EExtended strand (participates in β ladder)trans-121.8131.4166.5178.4177.24.500108.4R62 A166 M167Q39-R62 HydrophobicContact CB-CB 4.09Å; Q39-R62 HydrophobicContact CB-CG 4.35Å; Q39-R62 PolarHBondContact N-O 2.83Å; Q39-R62 PolarHBondContact O-N 2.85Å; Q39-A166 HydrophobicContact CB-CB 3.73Å; Q39-A166 HydrophobicContact CG-CB 4.36Å; Q39-M167 HydrophobicContact CG-CE 4.17Å
40V94.1Very high93.1Very high1 Ų145.5 Ų45.51%0.00625%0.245CC..EExtended strand (participates in β ladder)trans-118.2131.4174176.50000108.2L38 L59 W60 Y151 A170 D171 M186 Y207L38-V40 HydrophobicContact CD2-CG2 4.38Å; L38-V40 HydrophobicContact CG-CG2 4.26Å; V40-L59 HydrophobicContact CG1-CB 4.28Å; V40-L59 HydrophobicContact CG1-CD1 4.07Å; V40-L59 HydrophobicContact CG1-CD2 4.09Å; V40-L59 HydrophobicContact CG1-CG 4.38Å; V40-W60 WeakPolarHBondContact CA-O 3.26Å; V40-Y151 HydrophobicContact CG2-CE2 4.19Å; V40-A170 VanDerWaalsContact O-CA 3.26Å; V40-A170 WeakPolarHBondContact O-CA 3.36Å; V40-A170 VanDerWaalsContact O-CB 3.28Å; V40-A170 WeakPolarHBondContact O-CB 3.48Å; V40-D171 PolarHBondContact O-N 2.86Å; V40-M186 HydrophobicContact CG1-CE 4.15Å; V40-Y207 HydrophobicContact CB-CD1 4.34Å; V40-Y207 HydrophobicContact CB-CE1 3.9Å; V40-Y207 HydrophobicContact CB-CE2 4.1Å; V40-Y207 HydrophobicContact CG2-CD2 4.09Å; V40-Y207 HydrophobicContact CG2-CE1 4.23Å; V40-Y207 HydrophobicContact CG2-CE2 3.51Å
41T94.3Very high93Very high14 Ų1447.4 Ų47.49%0.08624%0.239CC..EExtended strand (participates in β ladder)trans-114.5127170.6-56.30000108.2L59 W60 D171T41-L59 WeakPolarHBondContact O-CA 3.41Å; T41-W60 PolarHBondContact N-O 2.93Å; T41-W60 PolarHBondContact O-N 3.03Å; T41-D171 WeakPolarHBondContact CA-O 3.22Å; T41-D171 HydrophobicContact CG2-CB 3.91Å; T41-D171 WeakPolarHBondContact OG1-CB 3.19Å
42L94.9Very high93Very high0 Ų045.1 Ų45.10%023%0.227CC..EExtended strand (participates in β ladder)trans-86.9114.2174.4173.566.6000108.9A57 L59 D171 L172 L175 V183 M186 L209L42-A57 HydrophobicContact CD1-CB 4.05Å; L42-L59 HydrophobicContact CB-CD2 4.08Å; L42-L59 HydrophobicContact CD1-CD2 3.53Å; L42-L59 HydrophobicContact CG-CD2 4.41Å; L42-D171 PolarHBondContact N-O 3.3Å; L42-L172 HydrophobicContact CB-CD2 3.97Å; L42-L172 HydrophobicContact CD2-CD2 4.08Å; L42-L175 HydrophobicContact CD2-CD1 3.87Å; L42-L175 HydrophobicContact CG-CD1 3.87Å; L42-V183 HydrophobicContact CD2-CG1 4.41Å; L42-V183 HydrophobicContact CD2-CG2 4.46Å; L42-M186 HydrophobicContact CB-SD 4.18Å; L42-M186 HydrophobicContact CD2-SD 4.39Å; L42-L209 HydrophobicContact CD2-CD1 3.67Å; L42-L209 HydrophobicContact CD2-CD2 4.35Å
43S93.3Very high92.9Very high19 Ų1944 Ų4413%0.13322%0.219CC..EExtended strand (participates in β ladder)trans-91.5-45.7179.5173.30000111.8Y58 L175 V176S43-Y58 PolarHBondContact N-O 3.18Å; S43-L175 WeakPolarHBondContact O-CA 3.26Å; S43-V176 PolarHBondContact O-N 2.95Å
44Q94Very high93Very high76 Ų7641.7 Ų41.736%0.35521%0.207SC..EExtended strand (participates in β ladder)trans-157.6152.3173.359.2176.922.600112.5I46 Y58 V176Q44-I46 HydrophobicContact CG-CG1 4.29Å; Q44-Y58 HydrophobicContact CG-CD1 4.28Å; Q44-Y58 HydrophobicContact CG-CG 4.42Å; Q44-Y58 PolarHBondContact N-O 3.47Å; Q44-Y58 PolarHBondContact O-N 2.97Å; Q44-V176 HydrophobicContact CB-CB 4.21Å
45I94.6Very high93Very high9 Ų941.3 Ų41.35%0.04621%0.205CC..EExtended strand (participates in β ladder)trans-87.6118.1163.8-61.3167000106.7L55 N178 W181 V183 L209 L211I45-L55 HydrophobicContact CG2-CD1 4.04Å; I45-N178 PolarHBondContact O-ND2 2.95Å; I45-N178 VanDerWaalsContact O-ND2 3.15Å; I45-W181 HydrophobicContact CD1-CB 4.37Å; I45-V183 HydrophobicContact CD1-CG2 3.62Å; I45-L209 HydrophobicContact CD1-CD2 4.32Å; I45-L209 HydrophobicContact CG1-CD2 4.44Å; I45-L211 HydrophobicContact CD1-CD1 4.42Å; I45-L211 HydrophobicContact CD1-CD2 3.44Å; I45-L211 VanDerWaalsContact CD1-CD2 3.44Å
46I92.6Very high92.9Very high72 Ų7238 Ų3837%0.36919%0.189SC..EExtended strand (participates in β ladder)trans-81.9-51.4-179.2-66.2167.7000109.4Q44 T56 I128Q44-I46 HydrophobicContact CG-CG1 4.29Å; I46-T56 HydrophobicContact CB-CG2 4.07Å; I46-T56 HydrophobicContact CD1-CG2 4.18Å; I46-T56 HydrophobicContact CG2-CG2 4.31Å; I46-T56 PolarHBondContact N-O 3.32Å; I46-I128 HydrophobicContact CD1-CD1 4.36Å; I46-I128 HydrophobicContact CD1-CG1 4.07Å; I46-I128 HydrophobicContact CD1-CG2 3.9Å
47D92.4Very high92.8Very high85 Ų8538 Ų3846%0.45519%0.189SC..EExtended strand (participates in β ladder)trans-158.9150.8-172.5-170.626.3000111.7T56D47-T56 PolarHBondContact N-O 2.85Å; D47-T56 PolarHBondContact O-N 2.91Å
48M91.1Very high92.6Very high9 Ų939 Ų394%0.04419%0.187CC..EExtended strand (participates in β ladder)trans-128100.1171.11787484.200107.5E50 L55 W181 L211M48-E50 HydrophobicContact CG-CG 4.06Å; M48-E50 PolarHBondContact O-N 3.31Å; M48-L55 HydrophobicContact CE-CB 4.31Å; M48-L55 HydrophobicContact CE-CD1 3.85Å; M48-L55 HydrophobicContact CE-CG 4.47Å; M48-L55 HydrophobicContact SD-CB 3.91Å; M48-L55 HydrophobicContact SD-CD1 4.16Å; M48-W181 HydrophobicContact CB-CZ2 4.39Å; M48-W181 HydrophobicContact CE-CZ2 4.49Å; M48-W181 HydrophobicContact CG-CZ2 3.97Å; M48-L211 HydrophobicContact CE-CD1 3.37Å
49D91.3Very high92.5Very high46 Ų4639 Ų3925%0.24619%0.187CC..EExtended strand (participates in β ladder)trans-85.692174.4-176.5-23.5000108.2R51 N52 Q53 I54D49-R51 VanDerWaalsContact C-N 3.25Å; D49-R51 PolarHBondContact O-N 2.92Å; D49-R51 PolarHBondContact OD1-N 3.32Å; D49-N52 PolarHBondContact OD1-N 3.25Å; D49-N52 PolarHBondContact OD1-ND2 2.96Å; D49-N52 PolarHBondContact OD2-ND2 3.45Å; D49-Q53 WeakPolarHBondContact O-CA 3.4Å; D49-Q53 PolarHBondContact O-N 3.46Å; D49-I54 HydrophobicContact CB-CB 4.42Å; D49-I54 PolarHBondContact N-O 2.85Å; D49-I54 PolarHBondContact O-N 2.83Å
50E87.6Confident92.4Very high26 Ų2643 Ų4312%0.12120%0.201CC..THydrogen-bonded Turntrans-65.7-33.6-179.8-59.396.1153.600111.9M48 Q53 V135 R213 P269M48-E50 HydrophobicContact CG-CG 4.06Å; M48-E50 PolarHBondContact O-N 3.31Å; E50-Q53 WeakPolarHBondContact O-CG 3.42Å; E50-Q53 PolarHBondContact O-N 3.29Å; E50-V135 HydrophobicContact CB-CG1 4.21Å; E50-V135 HydrophobicContact CB-CG2 4.26Å; E50-V135 HydrophobicContact CG-CG1 3.94Å; E50-V135 HydrophobicContact CG-CG2 4.2Å; E50-R213 IonicContact OE1-CZ 3.27Å; E50-R213 IonicContact OE1-NH1 2.93Å; E50-R213 PolarHBondContact OE1-NH1 3.25Å; E50-R213 IonicContact OE1-NH2 2.74Å; E50-R213 PolarHBondContact OE1-NH2 3Å; E50-P269 HydrophobicContact CB-CG 4.25Å; E50-P269 WeakPolarHBondContact O-CB 3.17Å; E50-P269 VanDerWaalsContact O-CG 3.24Å; E50-P269 WeakPolarHBondContact O-CG 3.35Å
51R86Confident92.4Very high156 Ų15643.3 Ų43.359%0.58920%0.203SC*.THydrogen-bonded Turntrans-63.7-44.6-176.3-179.5176.8172.4-125.2-2.4111.8D49D49-R51 VanDerWaalsContact C-N 3.25Å; D49-R51 PolarHBondContact O-N 2.92Å; D49-R51 PolarHBondContact OD1-N 3.32Å
52N88.6Confident92.3Very high97 Ų9746.5 Ų46.552%0.51921%0.213SC..THydrogen-bonded Turntrans-90.2-4.3175.3-63.8-50.2000113.2D49 I54D49-N52 PolarHBondContact OD1-N 3.25Å; D49-N52 PolarHBondContact OD1-ND2 2.96Å; D49-N52 PolarHBondContact OD2-ND2 3.45Å; N52-I54 HydrophobicContact CB-CD1 4.07Å; N52-I54 HydrophobicContact CB-CG1 4.15Å
53Q91.2Very high92.3Very high56 Ų5646.7 Ų46.726%0.26221%0.214SC..THydrogen-bonded Turntrans62.244.6-179.9-60.7-177.513.700113D49 E50 C133 P269D49-Q53 WeakPolarHBondContact O-CA 3.4Å; D49-Q53 PolarHBondContact O-N 3.46Å; E50-Q53 WeakPolarHBondContact O-CG 3.42Å; E50-Q53 PolarHBondContact O-N 3.29Å; Q53-C133 WeakPolarHBondContact CB-O 3.48Å; Q53-C133 PolarHBondContact O-N 3.32Å; Q53-P269 HydrophobicContact CG-CB 4.49Å
54I93.3Very high92.5Very high36 Ų3646.8 Ų46.819%0.18521%0.214CC..EExtended strand (participates in β ladder)trans-122.2122.5-176.6-55.5179.6000110.7D49 N52 A101 K130 S131D49-I54 HydrophobicContact CB-CB 4.42Å; D49-I54 PolarHBondContact N-O 2.85Å; D49-I54 PolarHBondContact O-N 2.83Å; N52-I54 HydrophobicContact CB-CD1 4.07Å; N52-I54 HydrophobicContact CB-CG1 4.15Å; I54-A101 HydrophobicContact CB-CB 4.48Å; I54-A101 HydrophobicContact CD1-CB 3.94Å; I54-A101 HydrophobicContact CG1-CB 3.82Å; I54-A101 HydrophobicContact CG2-CB 4.04Å; I54-K130 HydrophobicContact CG2-CB 3.97Å; I54-S131 WeakPolarHBondContact CA-O 3.38Å
55L94.5Very high92.6Very high0 Ų043.4 Ų43.40%020%0.198CC..EExtended strand (participates in β ladder)trans-97.8123.9168.5168.165.3000109.9I45 M48 K130 S131 C133 C147 F149 L209I45-L55 HydrophobicContact CG2-CD1 4.04Å; M48-L55 HydrophobicContact CE-CB 4.31Å; M48-L55 HydrophobicContact CE-CD1 3.85Å; M48-L55 HydrophobicContact CE-CG 4.47Å; M48-L55 HydrophobicContact SD-CB 3.91Å; M48-L55 HydrophobicContact SD-CD1 4.16Å; L55-K130 WeakPolarHBondContact O-CA 3.2Å; L55-S131 PolarHBondContact N-O 3.28Å; L55-S131 PolarHBondContact O-N 3.5Å; L55-S131 PolarHBondContact O-OG 2.83Å; L55-C133 HydrophobicContact CB-CB 4.41Å; L55-C147 HydrophobicContact CB-CB 4.47Å; L55-C147 HydrophobicContact CD2-CB 3.4Å; L55-C147 VanDerWaalsContact CD2-CB 3.4Å; L55-F149 HydrophobicContact CD2-CE2 3.67Å; L55-F149 HydrophobicContact CD2-CZ 3.48Å; L55-F149 VanDerWaalsContact CD2-CZ 3.48Å; L55-F149 HydrophobicContact CG-CZ 4.01Å; L55-L209 HydrophobicContact CD2-CD2 3.82Å
56T93.7Very high92.6Very high17 Ų1746.4 Ų46.410%0.10421%0.211CC..EExtended strand (participates in β ladder)trans-106.5114.5174.4-540000110.7I46 D47 I128 T129 K130I46-T56 HydrophobicContact CB-CG2 4.07Å; I46-T56 HydrophobicContact CD1-CG2 4.18Å; I46-T56 HydrophobicContact CG2-CG2 4.31Å; I46-T56 PolarHBondContact N-O 3.32Å; D47-T56 PolarHBondContact N-O 2.85Å; D47-T56 PolarHBondContact O-N 2.91Å; T56-I128 HydrophobicContact CG2-CG2 3.73Å; T56-T129 WeakPolarHBondContact CA-O 3.42Å; T56-K130 HydrophobicContact CG2-CG 4.15Å
57A93.9Very high92.7Very high0 Ų043 Ų430%019%0.193CC..EExtended strand (participates in β ladder)trans-124.4146.7179.800000111.8L42 L59 T129 F149L42-A57 HydrophobicContact CD1-CB 4.05Å; A57-L59 HydrophobicContact CB-CD2 4.2Å; A57-L59 HydrophobicContact CB-CG 4.28Å; A57-T129 PolarHBondContact N-O 3.48Å; A57-T129 PolarHBondContact O-N 3.23Å; A57-T129 PolarHBondContact O-OG1 3.31Å; A57-F149 HydrophobicContact CB-CE1 4.29Å; A57-F149 HydrophobicContact CB-CZ 3.8Å
58Y93.3Very high92.7Very high64 Ų6439.7 Ų39.725%0.25118%0.177SC..EExtended strand (participates in β ladder)trans-94.8112.2169.3-171.5-126.3000109.4S43 Q44 W60 P126 I128S43-Y58 PolarHBondContact N-O 3.18Å; Q44-Y58 HydrophobicContact CG-CD1 4.28Å; Q44-Y58 HydrophobicContact CG-CG 4.42Å; Q44-Y58 PolarHBondContact N-O 3.47Å; Q44-Y58 PolarHBondContact O-N 2.97Å; Y58-W60 AromaticContact CE1-NE1 3.57Å; Y58-P126 HydrophobicContact CE2-CB 3.92Å; Y58-P126 VanDerWaalsContact OH-CB 3.27Å; Y58-P126 WeakPolarHBondContact OH-CB 3.45Å; Y58-I128 HydrophobicContact CD2-CG1 3.75Å; Y58-I128 HydrophobicContact CE2-CG1 4.29Å
59L93.3Very high92.7Very high0 Ų044.6 Ų44.60%020%0.2CC..EExtended strand (participates in β ladder)trans-116.9140.3-175-59.6-177.4000110V40 T41 L42 A57 I61 A127 T129 F149 Y151 M186V40-L59 HydrophobicContact CG1-CB 4.28Å; V40-L59 HydrophobicContact CG1-CD1 4.07Å; V40-L59 HydrophobicContact CG1-CD2 4.09Å; V40-L59 HydrophobicContact CG1-CG 4.38Å; T41-L59 WeakPolarHBondContact O-CA 3.41Å; L42-L59 HydrophobicContact CB-CD2 4.08Å; L42-L59 HydrophobicContact CD1-CD2 3.53Å; L42-L59 HydrophobicContact CG-CD2 4.41Å; A57-L59 HydrophobicContact CB-CD2 4.2Å; A57-L59 HydrophobicContact CB-CG 4.28Å; L59-I61 HydrophobicContact CB-CG1 4.31Å; L59-A127 PolarHBondContact N-O 2.87Å; L59-A127 PolarHBondContact O-N 3.39Å; L59-T129 HydrophobicContact CD1-CG2 4.18Å; L59-T129 VanDerWaalsContact CD1-OG1 3.28Å; L59-T129 WeakPolarHBondContact CD1-OG1 3.44Å; L59-F149 HydrophobicContact CD1-CD1 4.06Å; L59-F149 HydrophobicContact CD1-CE1 4.16Å; L59-F149 HydrophobicContact CD1-CG 4.43Å; L59-Y151 VanDerWaalsContact CD1-OH 3.31Å; L59-Y151 WeakPolarHBondContact CD1-OH 3.19Å; L59-M186 HydrophobicContact CD2-CE 4.47Å
60W93Very high92.8Very high121 Ų12142.4 Ų42.446%0.45819%0.188SC..EExtended strand (participates in β ladder)trans-97.6117.5165.1-66.849.7000107.1V40 T41 Y58V40-W60 WeakPolarHBondContact CA-O 3.26Å; T41-W60 PolarHBondContact N-O 2.93Å; T41-W60 PolarHBondContact O-N 3.03Å; Y58-W60 AromaticContact CE1-NE1 3.57Å
61I92.8Very high93Very high7 Ų746.4 Ų46.44%0.03620%0.203CC..EExtended strand (participates in β ladder)trans-105.8108.4-177-53179.3000107.2L38 L59 Q63 S125 A127 T129 Y151L38-I61 HydrophobicContact CD1-CG2 3.62Å; L59-I61 HydrophobicContact CB-CG1 4.31Å; I61-Q63 HydrophobicContact CG2-CG 4.16Å; I61-S125 PolarHBondContact N-O 3.47Å; I61-S125 PolarHBondContact O-N 3.43Å; I61-A127 HydrophobicContact CD1-CB 3.96Å; I61-T129 HydrophobicContact CD1-CG2 4.48Å; I61-Y151 HydrophobicContact CD1-CE1 3.89Å
62R94Very high93.4Very high81 Ų8140.1 Ų40.131%0.30618%0.179SC..EExtended strand (participates in β ladder)trans-98.2123.2173.2166.6172.7-63.3140.13.7109.3Q39 V64 W123 D124Q39-R62 HydrophobicContact CB-CB 4.09Å; Q39-R62 HydrophobicContact CB-CG 4.35Å; Q39-R62 PolarHBondContact N-O 2.83Å; Q39-R62 PolarHBondContact O-N 2.85Å; R62-V64 HydrophobicContact CG-CG2 4Å; R62-W123 WeakPolarHBondContact CA-O 3.35Å; R62-D124 VanDerWaalsContact CB-OD1 3.26Å; R62-D124 WeakPolarHBondContact CB-OD1 3.41Å; R62-D124 WeakPolarHBondContact CD-OD1 3.4Å; R62-D124 WeakPolarHBondContact CG-OD1 3.45Å; R62-D124 IonicContact CZ-OD1 2.7Å; R62-D124 IonicContact CZ-OD2 2.83Å; R62-D124 IonicContact NE-OD1 2.71Å; R62-D124 PolarHBondContact NE-OD1 2.86Å; R62-D124 IonicContact NE-OD2 2.78Å; R62-D124 PolarHBondContact NE-OD2 3.44Å; R62-D124 IonicContact NH2-OD1 3.38Å; R62-D124 IonicContact NH2-OD2 3.78Å; R62-D124 PolarHBondContact NH2-OD2 2.94Å
63Q94.9Very high93.6Very high3 Ų339 Ų391%0.01417%0.173CC..EExtended strand (participates in β ladder)trans-117124.8176.8-62.6176.362.700108.4L38 I61 W65 I95 W123L38-Q63 HydrophobicContact CD1-CG 3.95Å; I61-Q63 HydrophobicContact CG2-CG 4.16Å; Q63-W65 HydrophobicContact CB-CE3 4.31Å; Q63-W65 HydrophobicContact CB-CZ3 4.15Å; Q63-I95 VanDerWaalsContact OE1-CG1 3.31Å; Q63-W123 PolarHBondContact N-O 3.28Å; Q63-W123 PolarHBondContact O-N 3.45Å
64V96.4Very high93.6Very high22 Ų2239.3 Ų39.313%0.13317%0.173CC..EExtended strand (participates in β ladder)trans-121.5120177.7-176.40000108.9T37 R62 Q120 M121 M122T37-V64 PolarHBondContact N-O 3.47Å; T37-V64 PolarHBondContact O-N 2.78Å; R62-V64 HydrophobicContact CG-CG2 4Å; V64-Q120 HydrophobicContact CG1-CG 3.76Å; V64-M121 VanDerWaalsContact CA-O 3.31Å; V64-M121 WeakPolarHBondContact CA-O 3.4Å; V64-M122 HydrophobicContact CG2-CB 4.42Å; V64-M122 HydrophobicContact CG2-CE 4.19Å; V64-M122 HydrophobicContact CG2-CG 4.2Å
65W95.9Very high93.5Very high4 Ų444.1 Ų44.12%0.01520%0.2CC..EExtended strand (participates in β ladder)trans-135.6-174.3174.971.999.5000109.7V36 Q63 W91 R92 P93 V113 M121 W123V36-W65 HydrophobicContact CG2-CB 4.12Å; Q63-W65 HydrophobicContact CB-CE3 4.31Å; Q63-W65 HydrophobicContact CB-CZ3 4.15Å; W65-W91 AromaticContact CD1-CZ3 3.91Å; W65-W91 HydrophobicContact CG-CZ3 4.44Å; W65-W91 WeakPolarHBondContact CZ2-O 3.29Å; W65-W91 AromaticContact NE1-CE3 3.77Å; W65-W91 AromaticContact NE1-CZ3 3.85Å; W65-R92 HydrophobicContact CH2-CG 4.34Å; W65-R92 HydrophobicContact CZ2-CG 4.48Å; W65-P93 HydrophobicContact CD2-CG 4.45Å; W65-P93 HydrophobicContact CE3-CG 4.23Å; W65-V113 HydrophobicContact CH2-CG1 4.13Å; W65-M121 HydrophobicContact CD2-CB 3.63Å; W65-M121 HydrophobicContact CD2-CG 4.37Å; W65-M121 HydrophobicContact CE3-CB 4.09Å; W65-M121 HydrophobicContact CG-CB 4.09Å; W65-M121 HydrophobicContact CH2-CB 4.13Å; W65-M121 HydrophobicContact CZ2-CB 3.67Å; W65-M121 HydrophobicContact CZ2-CE 3.94Å; W65-M121 HydrophobicContact CZ2-CG 4.14Å; W65-M121 HydrophobicContact CZ3-CB 4.32Å; W65-M121 PolarHBondContact N-O 3.49Å; W65-M121 PolarHBondContact O-N 3.33Å; W65-W123 HydrophobicContact CH2-CB 3.82Å; W65-W123 HydrophobicContact CZ3-CB 3.62Å
66F95.5Very high93.2Very high73 Ų7350 Ų5032%0.3223%0.227SC..EExtended strand (participates in β ladder)trans-128.1131.7-178-165.9-78000109.7L34 R71 D118 G119L34-F66 WeakPolarHBondContact CD1-O 3.46Å; F66-R71 VanDerWaalsContact CZ-NH2 3.3Å; F66-D118 WeakPolarHBondContact CE2-O 3.41Å; F66-D118 WeakPolarHBondContact CZ-O 3.48Å; F66-G119 WeakPolarHBondContact CA-O 3.41Å
67D94.8Very high93Very high0 Ų050.2 Ų50.20%023%0.226CC..  trans-113.1117.7175.6-170.2-42.6000109.1Y20 P26 H69 L70 G119 M121Y20-D67 VanDerWaalsContact CE2-OD2 3.24Å; Y20-D67 WeakPolarHBondContact CE2-OD2 3.2Å; Y20-D67 PolarHBondContact OH-OD2 3.48Å; P26-D67 HydrophobicContact CB-CB 3.99Å; P26-D67 WeakPolarHBondContact CB-OD1 3.43Å; P26-D67 WeakPolarHBondContact CB-OD2 3.43Å; P26-D67 HydrophobicContact CG-CB 4.21Å; D67-H69 VanDerWaalsContact C-N 3.27Å; D67-H69 PolarHBondContact O-N 2.99Å; D67-H69 WeakPolarHBondContact OD1-CB 3.37Å; D67-H69 IonicContact OD1-CG 2.67Å; D67-H69 PolarHBondContact OD1-N 3.15Å; D67-H69 IonicContact OD1-ND1 2.66Å; D67-L70 HydrophobicContact CB-CB 4.2Å; D67-L70 HydrophobicContact CB-CD1 4.33Å; D67-L70 HydrophobicContact CB-CG 4.42Å; D67-L70 PolarHBondContact OD1-N 3.09Å; D67-L70 WeakPolarHBondContact OD2-CD1 3.28Å; D67-G119 PolarHBondContact N-O 3.24Å; D67-M121 HydrophobicContact CB-CG 3.78Å; D67-M121 HydrophobicContact CB-SD 4.14Å
68A92.1Very high92.6Very high15 Ų1553.7 Ų53.712%0.12425%0.245CC..SBendtrans-69.7-23.7-177.700000114.1P26 E28P26-A68 PolarHBondContact O-N 3.27Å; E28-A68 HydrophobicContact CG-CB 3.49Å; E28-A68 VanDerWaalsContact CG-CB 3.49Å
69H91.2Very high92.4Very high112 Ų11252.9 Ų52.952%0.51926%0.256SS..SBendtrans-91.2-23.9-174.4-54.693.3000112.3Y20 D67 R71Y20-H69 HydrophobicContact CD2-CB 3.96Å; Y20-H69 HydrophobicContact CE2-CB 4.19Å; D67-H69 VanDerWaalsContact C-N 3.27Å; D67-H69 PolarHBondContact O-N 2.99Å; D67-H69 WeakPolarHBondContact OD1-CB 3.37Å; D67-H69 IonicContact OD1-CG 2.67Å; D67-H69 PolarHBondContact OD1-N 3.15Å; D67-H69 IonicContact OD1-ND1 2.66Å; H69-R71 PolarHBondContact O-N 3.47Å
70L92.1Very high92.1Very high0 Ų054.1 Ų54.10%026%0.262CS..SBendtrans-95.652.9-177.8-61.9177.2000112.8L16 M17 Y20 D67 V90 I115 M121L16-L70 HydrophobicContact CB-CD2 4.21Å; M17-L70 HydrophobicContact CE-CD2 4.48Å; Y20-L70 HydrophobicContact CD2-CD1 4.29Å; Y20-L70 HydrophobicContact CD2-CD2 3.59Å; Y20-L70 HydrophobicContact CD2-CG 3.81Å; Y20-L70 HydrophobicContact CE1-CD1 4.44Å; Y20-L70 HydrophobicContact CE2-CD1 3.67Å; Y20-L70 HydrophobicContact CE2-CD2 3.85Å; Y20-L70 HydrophobicContact CE2-CG 3.53Å; Y20-L70 HydrophobicContact CG-CD2 4Å; D67-L70 HydrophobicContact CB-CB 4.2Å; D67-L70 HydrophobicContact CB-CD1 4.33Å; D67-L70 HydrophobicContact CB-CG 4.42Å; D67-L70 PolarHBondContact OD1-N 3.09Å; D67-L70 WeakPolarHBondContact OD2-CD1 3.28Å; L70-V90 HydrophobicContact CD1-CG1 3.84Å; L70-I115 HydrophobicContact CB-CG2 4.43Å; L70-I115 HydrophobicContact CD1-CD1 4.12Å; L70-M121 HydrophobicContact CD1-CE 3.83Å; L70-M121 HydrophobicContact CD1-SD 4Å
71R93.3Very high92Very high111 Ų11151.4 Ų51.442%0.41926%0.256SS..  trans-112.4146.3178.1-63.4178.4170.3148.4-11.7111.3E28 F66 H69 H117 D118E28-R71 IonicContact OE1-CZ 3.2Å; E28-R71 IonicContact OE1-NH1 3.51Å; E28-R71 PolarHBondContact OE1-NH1 3.42Å; E28-R71 IonicContact OE1-NH2 3.17Å; F66-R71 VanDerWaalsContact CZ-NH2 3.3Å; H69-R71 PolarHBondContact O-N 3.47Å; R71-H117 WeakPolarHBondContact CA-O 3.46Å; R71-D118 WeakPolarHBondContact CG-O 3.24Å; R71-D118 PolarHBondContact NE-O 3.28Å
72W93.1Very high92Very high23 Ų2353.8 Ų53.89%0.08727%0.272CS..  trans-150.2161.1171.869.494.6000112.9L12 L16 Y77 L80 I83 I115 H117L12-W72 HydrophobicContact CD1-CB 3.69Å; L12-W72 HydrophobicContact CD1-CD2 3.9Å; L12-W72 HydrophobicContact CD1-CE3 4.38Å; L12-W72 HydrophobicContact CD1-CG 3.57Å; L12-W72 HydrophobicContact CD2-CD2 3.72Å; L12-W72 HydrophobicContact CD2-CE3 4.29Å; L12-W72 HydrophobicContact CD2-CG 4.02Å; L12-W72 HydrophobicContact CD2-CH2 4.49Å; L12-W72 HydrophobicContact CD2-CZ2 3.95Å; L12-W72 HydrophobicContact CG-CD2 4.39Å; L12-W72 HydrophobicContact CG-CG 4.45Å; L16-W72 HydrophobicContact CD1-CE3 3.9Å; L16-W72 HydrophobicContact CD1-CZ3 4.19Å; L16-W72 HydrophobicContact CD2-CE3 4.49Å; W72-Y77 HydrophobicContact CB-CD2 4.45Å; W72-Y77 HydrophobicContact CB-CE2 4.29Å; W72-Y77 AromaticContact CD1-CD2 3.95Å; W72-Y77 HydrophobicContact CG-CD2 4.49Å; W72-L80 PolarHBondContact NE1-O 2.95Å; W72-I83 HydrophobicContact CH2-CD1 4.34Å; W72-I83 HydrophobicContact CH2-CG1 3.94Å; W72-I83 HydrophobicContact CZ2-CG2 4.43Å; W72-I83 HydrophobicContact CZ3-CD1 4.39Å; W72-I83 HydrophobicContact CZ3-CG1 4.41Å; W72-I115 HydrophobicContact CH2-CB 4.46Å; W72-I115 HydrophobicContact CH2-CG2 4.09Å; W72-I115 HydrophobicContact CZ3-CG2 3.75Å; W72-H117 HydrophobicContact CD2-CB 4.05Å; W72-H117 HydrophobicContact CG-CB 4.45Å; W72-H117 HydrophobicContact CH2-CB 4.41Å; W72-H117 VanDerWaalsContact CZ2-CA 3.49Å; W72-H117 HydrophobicContact CZ2-CB 3.81Å; W72-H117 PolarHBondContact N-O 3.38Å
73N93.6Very high91.9Very high74 Ų7450.7 Ų50.740%0.39626%0.261SS..  trans-87.4126.4172.6-174.37.9000110.6D75 E76 Y77N73-D75 VanDerWaalsContact C-N 3.25Å; N73-D75 PolarHBondContact O-N 3.33Å; N73-D75 PolarHBondContact OD1-N 2.64Å; N73-E76 HydrophobicContact CB-CG 4.35Å; N73-E76 PolarHBondContact ND2-OE1 3.26Å; N73-E76 PolarHBondContact O-N 3.45Å; N73-Y77 WeakPolarHBondContact O-CD2 3.5Å
74K91.5Very high91.8Very high62 Ų6259.5 Ų59.527%0.2729%0.294SS..G310 helixtrans-60.2-36.3-178-59.9-176.3-167179.90112.6E76 Y77 G79 D81 H117K74-E76 PolarHBondContact O-N 2.98Å; K74-Y77 CarbonylContact O-C 3.49Å; K74-Y77 PolarHBondContact O-N 3.27Å; K74-Y77 VanDerWaalsContact O-N 3.12Å; K74-G79 WeakPolarHBondContact O-CA 3.45Å; K74-G79 PolarHBondContact O-N 3.23Å; K74-D81 HydrophobicContact CD-CB 4.38Å; K74-D81 WeakPolarHBondContact CE-OD1 3.15Å; K74-D81 IonicContact NZ-OD1 3.58Å; K74-D81 PolarHBondContact NZ-OD1 3.36Å; K74-H117 WeakPolarHBondContact CE-CD2 3.37Å; K74-H117 VanDerWaalsContact CE-CE1 3.45Å; K74-H117 WeakPolarHBondContact CE-CE1 3.34Å; K74-H117 WeakPolarHBondContact CE-ND1 3.25Å; K74-H117 WeakPolarHBondContact CE-NE2 3.14Å; K74-H117 HydrophobicContact CG-CB 4.06Å; K74-H117 PolarHBondContact NZ-CD2 3.01Å; K74-H117 VanDerWaalsContact NZ-CD2 3.28Å; K74-H117 PolarHBondContact NZ-NE2 2.89Å; K74-H117 VanDerWaalsContact NZ-NE2 3.12Å
75D90.1Very high91.6Very high138 Ų13858.9 Ų58.974%0.73829%0.29SS*.G310 helixtrans-67.3-24.9-172-61.2-28.3000112.3N73N73-D75 VanDerWaalsContact C-N 3.25Å; N73-D75 PolarHBondContact O-N 3.33Å; N73-D75 PolarHBondContact OD1-N 2.64Å
76E89.1Confident91.4Very high123 Ų12361.3 Ų61.358%0.57531%0.306SS*.G310 helixtrans-81-15.9177.7-68.5168.5-145.400113.4N73 K74N73-E76 HydrophobicContact CB-CG 4.35Å; N73-E76 PolarHBondContact ND2-OE1 3.26Å; N73-E76 PolarHBondContact O-N 3.45Å; K74-E76 PolarHBondContact O-N 2.98Å
77Y88.6Confident91.1Very high21 Ų2157.9 Ų57.98%0.08229%0.291CS..G310 helixtrans-128.842.2-173.8-60.1-87.7000112K11 L12 D15 W72 N73 K74 G79 L80K11-Y77 HydrophobicContact CD-CE1 4.23Å; L12-Y77 HydrophobicContact CB-CD1 3.6Å; L12-Y77 HydrophobicContact CB-CE1 3.77Å; L12-Y77 HydrophobicContact CB-CG 4.2Å; L12-Y77 HydrophobicContact CD1-CD1 4.08Å; L12-Y77 HydrophobicContact CD1-CD2 3.97Å; L12-Y77 HydrophobicContact CD1-CE1 3.89Å; L12-Y77 HydrophobicContact CD1-CE2 3.81Å; L12-Y77 HydrophobicContact CD1-CG 4.11Å; L12-Y77 HydrophobicContact CG-CD1 4.34Å; L12-Y77 HydrophobicContact CG-CE1 4.44Å; D15-Y77 PolarHBondContact OD2-OH 3.26Å; W72-Y77 HydrophobicContact CB-CD2 4.45Å; W72-Y77 HydrophobicContact CB-CE2 4.29Å; W72-Y77 AromaticContact CD1-CD2 3.95Å; W72-Y77 HydrophobicContact CG-CD2 4.49Å; N73-Y77 WeakPolarHBondContact O-CD2 3.5Å; K74-Y77 CarbonylContact O-C 3.49Å; K74-Y77 PolarHBondContact O-N 3.27Å; K74-Y77 VanDerWaalsContact O-N 3.12Å; Y77-G79 VanDerWaalsContact C-N 3.29Å; Y77-G79 PolarHBondContact O-N 3.06Å; Y77-L80 WeakPolarHBondContact O-CB 3.17Å; Y77-L80 PolarHBondContact O-N 3.48Å
78D86.9Confident90.8Very high74 Ų7461.4 Ų61.440%0.39632%0.316SS..THydrogen-bonded Turntrans60.735.4171-164.629.2000113.4A4 Y5 Y8 L80A4-D78 WeakPolarHBondContact CA-OD2 3.31Å; A4-D78 HydrophobicContact CB-CB 4.07Å; Y5-D78 WeakPolarHBondContact CD2-OD2 3.47Å; Y5-D78 PolarHBondContact N-OD2 3.1Å; Y8-D78 HydrophobicContact CD2-CB 3.48Å; Y8-D78 VanDerWaalsContact CD2-CB 3.48Å; Y8-D78 HydrophobicContact CE2-CB 3.85Å; Y8-D78 HydrophobicContact CG-CB 3.98Å; D78-L80 VanDerWaalsContact C-N 3.34Å; D78-L80 PolarHBondContact O-N 3.46Å
79G87.4Confident90.7Very high47 Ų4767.6 Ų67.649%0.48534%0.337SS..THydrogen-bonded Turntrans77.613.9178.600000114.7K74 Y77 D81K74-G79 WeakPolarHBondContact O-CA 3.45Å; K74-G79 PolarHBondContact O-N 3.23Å; Y77-G79 VanDerWaalsContact C-N 3.29Å; Y77-G79 PolarHBondContact O-N 3.06Å; G79-D81 PolarHBondContact O-N 3.49Å; G79-D81 VanDerWaalsContact O-N 3.08Å
80L88.6Confident90.8Very high26 Ų2662.6 Ų62.614%0.13631%0.314CS..  trans-65.6106.6-175.1-174.557.8000112A9 L12 W72 Y77 D78 T82 I83A9-L80 HydrophobicContact CB-CD2 3.89Å; L12-L80 HydrophobicContact CD2-CD2 3.69Å; L12-L80 HydrophobicContact CD2-CG 4.35Å; W72-L80 PolarHBondContact NE1-O 2.95Å; Y77-L80 WeakPolarHBondContact O-CB 3.17Å; Y77-L80 PolarHBondContact O-N 3.48Å; D78-L80 VanDerWaalsContact C-N 3.34Å; D78-L80 PolarHBondContact O-N 3.46Å; L80-T82 WeakPolarHBondContact CD1-O 3.39Å; L80-I83 HydrophobicContact CD1-CG2 4.41Å; L80-I83 HydrophobicContact CD2-CG2 3.78Å; L80-I83 HydrophobicContact CG-CG2 4.09Å
81D90.1Very high90.9Very high63 Ų6363 Ų6334%0.33732%0.316SS..  trans-85-37-177178.859000113.8K74 G79 R116 H117K74-D81 HydrophobicContact CD-CB 4.38Å; K74-D81 WeakPolarHBondContact CE-OD1 3.15Å; K74-D81 IonicContact NZ-OD1 3.58Å; K74-D81 PolarHBondContact NZ-OD1 3.36Å; G79-D81 PolarHBondContact O-N 3.49Å; G79-D81 VanDerWaalsContact O-N 3.08Å; D81-R116 WeakPolarHBondContact O-CA 3.32Å; D81-H117 PolarHBondContact O-N 2.91Å; D81-H117 IonicContact OD1-CD2 3.31Å; D81-H117 PolarHBondContact OD1-CD2 2.9Å; D81-H117 VanDerWaalsContact OD1-CD2 3.31Å; D81-H117 IonicContact OD1-NE2 3.4Å
82T92.6Very high90.8Very high58 Ų5860.9 Ų60.936%0.35631%0.308SS..EExtended strand (participates in β ladder)trans-138.9146.7-177.453.30000112.3L80 V114 I115 R116L80-T82 WeakPolarHBondContact CD1-O 3.39Å; T82-V114 HydrophobicContact CG2-CG1 4.4Å; T82-I115 CarbonylContact C-O 3.52Å; T82-I115 WeakPolarHBondContact CA-O 3.34Å; T82-I115 WeakPolarHBondContact CB-O 3.09Å; T82-R116 HydrophobicContact CG2-CB 4.11Å; T82-R116 HydrophobicContact CG2-CG 4.17Å
83I92.3Very high90.8Very high15 Ų1560.1 Ų60.18%0.07731%0.306CS..EExtended strand (participates in β ladder)trans-123.4160.1168.662.4176.7000110.4L12 L16 W72 L80 I115L12-I83 HydrophobicContact CD2-CD1 4.43Å; L12-I83 HydrophobicContact CD2-CG2 3.83Å; L16-I83 HydrophobicContact CD1-CD1 3.92Å; W72-I83 HydrophobicContact CH2-CD1 4.34Å; W72-I83 HydrophobicContact CH2-CG1 3.94Å; W72-I83 HydrophobicContact CZ2-CG2 4.43Å; W72-I83 HydrophobicContact CZ3-CD1 4.39Å; W72-I83 HydrophobicContact CZ3-CG1 4.41Å; L80-I83 HydrophobicContact CD1-CG2 4.41Å; L80-I83 HydrophobicContact CD2-CG2 3.78Å; L80-I83 HydrophobicContact CG-CG2 4.09Å; I83-I115 HydrophobicContact CD1-CD1 4.46Å; I83-I115 HydrophobicContact CG1-CB 3.85Å; I83-I115 HydrophobicContact CG1-CD1 4.43Å; I83-I115 HydrophobicContact CG1-CG1 4.37Å; I83-I115 PolarHBondContact N-O 3.2Å; I83-I115 PolarHBondContact O-N 3.36Å
84R92.6Very high90.7Very high188 Ų18858.4 Ų58.471%0.70930%0.297SS*.EExtended strand (participates in β ladder)trans-128121.9177.1-62.6-176.2-179.7157.8-1.6108.9N112 V113 V114R84-N112 HydrophobicContact CB-CB 4.5Å; R84-V113 WeakPolarHBondContact CA-O 3.2Å; R84-V114 HydrophobicContact CG-CG2 4.23Å
85I92Very high90.7Very high10 Ų1056.2 Ų56.25%0.05129%0.288CS..EExtended strand (participates in β ladder)trans-135.8153.8-179.959.9174.8000111.3L13 M17 G87 V90 N112 V113 I115L13-I85 HydrophobicContact CD1-CD1 4.36Å; L13-I85 HydrophobicContact CD1-CG2 3.85Å; L13-I85 HydrophobicContact CD2-CG2 4.37Å; M17-I85 HydrophobicContact CE-CD1 3.36Å; I85-G87 PolarHBondContact O-N 3.14Å; I85-V90 HydrophobicContact CD1-CG1 3.59Å; I85-V90 HydrophobicContact CG1-CG1 4.31Å; I85-N112 CarbonylContact O-C 3.48Å; I85-N112 VanDerWaalsContact O-CA 3.26Å; I85-N112 WeakPolarHBondContact O-CA 3.38Å; I85-V113 PolarHBondContact N-O 3.43Å; I85-V113 VanDerWaalsContact N-O 3.12Å; I85-V113 PolarHBondContact O-N 3.23Å; I85-I115 HydrophobicContact CD1-CD1 3.59Å; I85-I115 HydrophobicContact CG1-CD1 3.79Å; I85-I115 HydrophobicContact CG1-CG1 4.49Å
86P92.1Very high90.8Very high54 Ų5452.3 Ų52.335%0.35127%0.269SS..EExtended strand (participates in β ladder)trans-60.2138.1178-22.233.5000111.4S88 Y89 N112P86-S88 PolarHBondContact O-N 3.37Å; P86-Y89 HydrophobicContact CB-CD2 3.95Å; P86-Y89 HydrophobicContact CB-CE2 4.14Å; P86-Y89 HydrophobicContact CG-CD2 4.07Å; P86-Y89 HydrophobicContact CG-CE2 3.98Å; P86-Y89 PolarHBondContact O-N 3Å; P86-Y89 VanDerWaalsContact O-N 3.12Å; P86-N112 WeakPolarHBondContact CA-OD1 3.29Å
87G88.4Confident90.9Very high1 Ų147.7 Ų47.71%0.0125%0.248CC..G310 helixtrans-60.3-14.3-177.200000115.4I85 Y89 R92 T111I85-G87 PolarHBondContact O-N 3.14Å; G87-Y89 VanDerWaalsContact C-N 3.33Å; G87-R92 WeakPolarHBondContact O-CD 3.3Å; G87-R92 PolarHBondContact O-NE 3.13Å; G87-T111 PolarHBondContact N-O 2.97Å
88S88.4Confident91Very high74 Ų7449.5 Ų49.552%0.51726%0.255SS..G310 helixtrans-71.2-20.5175.452.10000114.8P86P86-S88 PolarHBondContact O-N 3.37Å
89Y90.2Very high91.3Very high146 Ų14647.6 Ų47.657%0.57325%0.245SC*.G310 helixtrans-86.6-12.3179-69.3-82.9000113.8P86 G87P86-Y89 HydrophobicContact CB-CD2 3.95Å; P86-Y89 HydrophobicContact CB-CE2 4.14Å; P86-Y89 HydrophobicContact CG-CD2 4.07Å; P86-Y89 HydrophobicContact CG-CE2 3.98Å; P86-Y89 PolarHBondContact O-N 3Å; P86-Y89 VanDerWaalsContact O-N 3.12Å; G87-Y89 VanDerWaalsContact C-N 3.33Å
90V93.4Very high91.4Very high6 Ų647.6 Ų47.64%0.03624%0.237CC..SBendtrans-118154.2-174.9-67.40000111.6M17 L70 I85 R92 V113 I115 M121M17-V90 HydrophobicContact CE-CG1 4.2Å; L70-V90 HydrophobicContact CD1-CG1 3.84Å; I85-V90 HydrophobicContact CD1-CG1 3.59Å; I85-V90 HydrophobicContact CG1-CG1 4.31Å; V90-R92 HydrophobicContact CG2-CG 4.31Å; V90-V113 HydrophobicContact CG2-CB 4.36Å; V90-V113 HydrophobicContact CG2-CG2 3.98Å; V90-I115 HydrophobicContact CG1-CD1 4.15Å; V90-M121 HydrophobicContact CB-CE 3.82Å; V90-M121 HydrophobicContact CG1-CE 3.84Å; V90-M121 HydrophobicContact CG2-CE 3.96Å
91W94.1Very high91.4Very high10 Ų1047.7 Ų47.74%0.03824%0.242CC..  trans-62.7137.7165.8179.992000108.9Y20 S22 R25 P26 L34 W65 P93 Y156 L161Y20-W91 PolarHBondContact OH-N 3.11Å; S22-W91 WeakPolarHBondContact O-CA 3.4Å; S22-W91 WeakPolarHBondContact O-CB 3.49Å; R25-W91 HydrophobicContact CB-CZ2 4.36Å; R25-W91 HydrophobicContact CG-CZ2 4.13Å; P26-W91 HydrophobicContact CG-CD2 4.12Å; P26-W91 HydrophobicContact CG-CE3 3.68Å; P26-W91 HydrophobicContact CG-CZ3 4.19Å; L34-W91 HydrophobicContact CD2-CE3 4.44Å; L34-W91 HydrophobicContact CD2-CH2 3.21Å; L34-W91 HydrophobicContact CD2-CZ2 4.16Å; L34-W91 HydrophobicContact CD2-CZ3 3.39Å; W65-W91 AromaticContact CD1-CZ3 3.91Å; W65-W91 HydrophobicContact CG-CZ3 4.44Å; W65-W91 WeakPolarHBondContact CZ2-O 3.29Å; W65-W91 AromaticContact NE1-CE3 3.77Å; W65-W91 AromaticContact NE1-CZ3 3.85Å; W91-P93 HydrophobicContact CH2-CB 3.65Å; W91-P93 HydrophobicContact CH2-CG 4.42Å; W91-P93 HydrophobicContact CZ2-CB 4.45Å; W91-P93 HydrophobicContact CZ3-CB 4Å; W91-P93 HydrophobicContact CZ3-CG 4.28Å; W91-Y156 AromaticContact CZ2-CE2 3.71Å; W91-Y156 HydrophobicContact CZ2-CE2 3.71Å; W91-Y156 PolarHBondContact NE1-OH 2.64Å; W91-L161 HydrophobicContact CH2-CD1 4.31Å
92R92.3Very high91Very high66 Ų6646.2 Ų46.225%0.24923%0.234CC..  trans-129.2140.7176-67.1-174.6-74.9179.9-7.1109W65 G87 V90 D110 W123W65-R92 HydrophobicContact CH2-CG 4.34Å; W65-R92 HydrophobicContact CZ2-CG 4.48Å; G87-R92 WeakPolarHBondContact O-CD 3.3Å; G87-R92 PolarHBondContact O-NE 3.13Å; V90-R92 HydrophobicContact CG2-CG 4.31Å; R92-D110 IonicContact CZ-OD1 2.72Å; R92-D110 VanDerWaalsContact CZ-OD1 3.23Å; R92-D110 IonicContact NH1-OD1 3.48Å; R92-D110 PolarHBondContact NH1-OD1 2.8Å; R92-D110 IonicContact NH2-OD1 2.73Å; R92-D110 PolarHBondContact NH2-OD1 3.22Å; R92-W123 HydrophobicContact CB-CZ3 4.46Å; R92-W123 HydrophobicContact CG-CE3 4.49Å
93P93Very high89.9Confident6 Ų650.8 Ų50.84%0.03926%0.256CS..  trans-66.7143.2172.929.4-34000110.4V36 W65 W91 I95 L161V36-P93 HydrophobicContact CG1-CB 4.41Å; V36-P93 HydrophobicContact CG1-CG 4.02Å; V36-P93 HydrophobicContact CG2-CB 4.02Å; V36-P93 HydrophobicContact CG2-CG 4.25Å; W65-P93 HydrophobicContact CD2-CG 4.45Å; W65-P93 HydrophobicContact CE3-CG 4.23Å; W91-P93 HydrophobicContact CH2-CB 3.65Å; W91-P93 HydrophobicContact CH2-CG 4.42Å; W91-P93 HydrophobicContact CZ2-CB 4.45Å; W91-P93 HydrophobicContact CZ3-CB 4Å; W91-P93 HydrophobicContact CZ3-CG 4.28Å; P93-I95 HydrophobicContact CB-CD1 4.21Å; P93-I95 HydrophobicContact CB-CG1 4.03Å; P93-I95 HydrophobicContact CG-CG1 4.24Å; P93-I95 PolarHBondContact O-N 2.91Å; P93-L161 HydrophobicContact CB-CD1 3.99Å
94D90.6Very high88.7Confident38 Ų3856.8 Ų56.820%0.20328%0.283CS..  trans-86.451.5-176.265.1-24.7000112V96 S153 W154 T155 Y156D94-V96 PolarHBondContact O-N 2.98Å; D94-S153 WeakPolarHBondContact OD1-CB 3.33Å; D94-S153 PolarHBondContact OD1-OG 2.78Å; D94-S153 PolarHBondContact OD2-OG 3.45Å; D94-W154 PolarHBondContact O-N 3.21Å; D94-W154 PolarHBondContact OD2-N 3.37Å; D94-T155 VanDerWaalsContact OD2-CB 3.32Å; D94-T155 WeakPolarHBondContact OD2-CB 3.45Å; D94-T155 WeakPolarHBondContact OD2-CG2 3.44Å; D94-T155 PolarHBondContact OD2-N 3.17Å; D94-T155 PolarHBondContact OD2-OG1 2.87Å; D94-Y156 WeakPolarHBondContact OD1-CD2 3.49Å
95I92Very high87.1Confident17 Ų1757.3 Ų57.39%0.08729%0.291CS..EExtended strand (participates in β ladder)trans-73.8113.9-179.6-52.4-52.6000109.8V36 Q63 P93 Y151 G152 L161 I163V36-I95 HydrophobicContact CG1-CG1 4.49Å; Q63-I95 VanDerWaalsContact OE1-CG1 3.31Å; P93-I95 HydrophobicContact CB-CD1 4.21Å; P93-I95 HydrophobicContact CB-CG1 4.03Å; P93-I95 HydrophobicContact CG-CG1 4.24Å; P93-I95 PolarHBondContact O-N 2.91Å; I95-Y151 HydrophobicContact CG2-CD1 4.2Å; I95-G152 WeakPolarHBondContact CA-O 3.33Å; I95-L161 HydrophobicContact CD1-CD2 4.35Å; I95-I163 HydrophobicContact CD1-CD1 4.24Å; I95-I163 HydrophobicContact CG2-CD1 4.36Å
96V91.1Very high85.5Confident55 Ų5561 Ų6133%0.33331%0.314SS..EExtended strand (participates in β ladder)trans-122.2156.8-177.1-63.30000111.9D94 Y98 Y151 G152 W154D94-V96 PolarHBondContact O-N 2.98Å; V96-Y98 HydrophobicContact CG2-CD1 3.92Å; V96-Y98 HydrophobicContact CG2-CE1 3.91Å; V96-Y151 WeakPolarHBondContact O-CA 3.28Å; V96-G152 PolarHBondContact N-O 3.11Å; V96-G152 PolarHBondContact O-N 2.85Å; V96-G152 VanDerWaalsContact O-N 3.15Å; V96-W154 HydrophobicContact CG2-CB 3.93Å; V96-W154 HydrophobicContact CG2-CD2 4.35Å; V96-W154 HydrophobicContact CG2-CE3 3.77Å; V96-W154 HydrophobicContact CG2-CG 4.46Å
97L92.3Very high84.1Confident26 Ų2660.7 Ų60.714%0.13632%0.322CS..EExtended strand (participates in β ladder)trans-84.4106.7172.5179.668.8000109.4N99 S100 F149 T150 Y151L97-N99 WeakPolarHBondContact CD1-OD1 3.22Å; L97-N99 PolarHBondContact O-N 3.12Å; L97-S100 WeakPolarHBondContact O-CB 3.44Å; L97-S100 PolarHBondContact O-N 2.84Å; L97-F149 HydrophobicContact CD1-CB 4.02Å; L97-F149 HydrophobicContact CD1-CD1 4.2Å; L97-T150 WeakPolarHBondContact CA-O 3.32Å; L97-Y151 HydrophobicContact CB-CD1 4.47Å; L97-Y151 HydrophobicContact CB-CE1 4.13Å; L97-Y151 HydrophobicContact CD1-CE1 4.31Å; L97-Y151 HydrophobicContact CD1-CE2 4.48Å
98Y91.1Very high83.2Confident59 Ų5962.8 Ų62.823%0.23134%0.335CS..THydrogen-bonded Turntrans-65.1-36.9-177.3-67.7-23.8000113.2V96 S100 T150 S153 W154 Y195 D204V96-Y98 HydrophobicContact CG2-CD1 3.92Å; V96-Y98 HydrophobicContact CG2-CE1 3.91Å; Y98-S100 VanDerWaalsContact C-N 3.27Å; Y98-S100 PolarHBondContact O-N 2.86Å; Y98-T150 HydrophobicContact CD2-CG2 3.77Å; Y98-T150 HydrophobicContact CG-CG2 4.5Å; Y98-T150 PolarHBondContact N-O 2.86Å; Y98-S153 PolarHBondContact OH-O 3.09Å; Y98-W154 HydrophobicContact CD1-CE3 4.15Å; Y98-W154 HydrophobicContact CD1-CZ3 4.19Å; Y98-W154 HydrophobicContact CE1-CE3 4.02Å; Y98-W154 HydrophobicContact CE1-CZ3 4.42Å; Y98-Y195 WeakPolarHBondContact CD2-OH 3.37Å; Y98-Y195 HydrophobicContact CE2-CE2 4.35Å; Y98-Y195 WeakPolarHBondContact CE2-OH 3.38Å; Y98-D204 HydrophobicContact CE2-CB 4.23Å
99N92.3Very high82.6Confident35 Ų3564.7 Ų64.719%0.18734%0.337CS..THydrogen-bonded Turntrans-94.237177.971.4-57.9000112.6L97 S131 S132 R148 T150L97-N99 WeakPolarHBondContact CD1-OD1 3.22Å; L97-N99 PolarHBondContact O-N 3.12Å; N99-S131 WeakPolarHBondContact O-CA 3.39Å; N99-S132 PolarHBondContact ND2-O 2.92Å; N99-S132 VanDerWaalsContact ND2-O 3.13Å; N99-S132 PolarHBondContact O-N 3.28Å; N99-R148 PolarHBondContact ND2-O 3.41Å; N99-T150 PolarHBondContact OD1-N 3.29Å
100S90.9Very high82Confident47 Ų4763.2 Ų63.233%0.32934%0.339SS..BIsolated β-bridgetrans-62.2138.4173.8-175.80000111.4L97 Y98 D102 K130L97-S100 WeakPolarHBondContact O-CB 3.44Å; L97-S100 PolarHBondContact O-N 2.84Å; Y98-S100 VanDerWaalsContact C-N 3.27Å; Y98-S100 PolarHBondContact O-N 2.86Å; S100-D102 PolarHBondContact OG-N 3.48Å; S100-K130 WeakPolarHBondContact CA-O 3.42Å
101A87.4Confident81.8Confident27 Ų2764.8 Ų64.822%0.22335%0.348CS..  trans-113.112.2171.500000112.6I54 K130I54-A101 HydrophobicContact CB-CB 4.48Å; I54-A101 HydrophobicContact CD1-CB 3.94Å; I54-A101 HydrophobicContact CG1-CB 3.82Å; I54-A101 HydrophobicContact CG2-CB 4.04Å; A101-K130 PolarHBondContact N-O 3.06Å
102D81.7Confident81.7Confident32 Ų3268.7 Ų68.717%0.17137%0.37CS..  trans-84.7129.2177-156.716.4000111.4S100 H104 T106 K130S100-D102 PolarHBondContact OG-N 3.48Å; D102-H104 WeakPolarHBondContact CB-O 3.47Å; D102-H104 PolarHBondContact O-N 2.92Å; D102-H104 VanDerWaalsContact OD2-O 3.09Å; D102-T106 PolarHBondContact OD2-OG1 3.17Å; D102-K130 HydrophobicContact CB-CB 4.26Å; D102-K130 HydrophobicContact CB-CD 4.02Å; D102-K130 HydrophobicContact CB-CG 4.47Å; D102-K130 IonicContact OD1-NZ 3.23Å; D102-K130 PolarHBondContact OD1-NZ 3.18Å; D102-K130 IonicContact OD2-NZ 4Å
103N69Low81.8Confident154 Ų15465.5 Ų65.582%0.82436%0.358SS*.SBendtrans-71.7-17.5-179.9-72.2-28000113
104H67.9Low81.9Confident141 Ų14167.2 Ų67.265%0.65337%0.368SS*.SBendtrans-110.3134.8167.6-60.2-62000107.6D102 T106D102-H104 WeakPolarHBondContact CB-O 3.47Å; D102-H104 PolarHBondContact O-N 2.92Å; D102-H104 VanDerWaalsContact OD2-O 3.09Å; H104-T106 PolarHBondContact O-N 3.01Å; H104-T106 PolarHBondContact O-OG1 3.12Å
105F59.7Low82.1Confident199 Ų19965.5 Ų65.587%0.87336%0.359SS*.  trans-73.570.9169.1-68.7-83.5000109.1G107F105-G107 VanDerWaalsContact C-N 3.32Å; F105-G107 PolarHBondContact O-N 3.37Å
106T57.7Low82.3Confident87 Ų8768.4 Ų68.453%0.53437%0.369SS..  trans-69.492.1175.3-41.80000107.4D102 H104D102-T106 PolarHBondContact OD2-OG1 3.17Å; H104-T106 PolarHBondContact O-N 3.01Å; H104-T106 PolarHBondContact O-OG1 3.12Å
107G63.5Low82.4Confident49 Ų4968.2 Ų68.251%0.50536%0.364SS..PPolyproline II helixtrans-61.1164.8-179.600000112.5F105F105-G107 VanDerWaalsContact C-N 3.32Å; F105-G107 PolarHBondContact O-N 3.37Å
108P67.9Low82.5Confident45 Ų4569.4 Ų69.429%0.29237%0.371SS..PPolyproline II helixtrans-54145.2171.1-19.631.2000110.4D110 W123 S125P108-D110 PolarHBondContact O-N 2.83Å; P108-W123 HydrophobicContact CB-CH2 4.12Å; P108-W123 HydrophobicContact CB-CZ2 4.23Å; P108-W123 HydrophobicContact CG-CH2 4.31Å; P108-S125 WeakPolarHBondContact CB-OG 3.46Å
109M75.5Confident82.6Confident113 Ų11366.6 Ų66.656%0.55736%0.36SS*.PPolyproline II helixtrans-57.5136179.8-67.1-69.7158.600110.5T111 S125 P126M109-T111 HydrophobicContact CB-CG2 4.42Å; M109-T111 PolarHBondContact O-N 2.98Å; M109-S125 PolarHBondContact N-OG 3.09Å; M109-S125 VanDerWaalsContact N-OG 3.1Å; M109-S125 PolarHBondContact O-OG 2.88Å; M109-P126 HydrophobicContact CB-CG 4.46Å; M109-P126 WeakPolarHBondContact CG-O 3.35Å
110D77.7Confident82.8Confident116 Ų11667.6 Ų67.662%0.6236%0.363SS*.  trans-71.173.3177.8-89.1-32.3000111R92 P108R92-D110 IonicContact CZ-OD1 2.72Å; R92-D110 VanDerWaalsContact CZ-OD1 3.23Å; R92-D110 IonicContact NH1-OD1 3.48Å; R92-D110 PolarHBondContact NH1-OD1 2.8Å; R92-D110 IonicContact NH2-OD1 2.73Å; R92-D110 PolarHBondContact NH2-OD1 3.22Å; P108-D110 PolarHBondContact O-N 2.83Å
111T89.8Confident83Confident38 Ų3865.3 Ų65.323%0.23335%0.348CS..PPolyproline II helixtrans-78.4165.9172.354.70000111.5G87 M109 W123 D124G87-T111 PolarHBondContact N-O 2.97Å; M109-T111 HydrophobicContact CB-CG2 4.42Å; M109-T111 PolarHBondContact O-N 2.98Å; T111-W123 PolarHBondContact OG1-NE1 3.38Å; T111-D124 WeakPolarHBondContact CB-O 3.11Å; T111-D124 PolarHBondContact OG1-O 2.9Å
112N92.7Very high83.4Confident92 Ų9266.9 Ų66.949%0.49235%0.351SS..EExtended strand (participates in β ladder)trans-73.8136.3173-67.1-28.4000110.6R84 I85 P86R84-N112 HydrophobicContact CB-CB 4.5Å; I85-N112 CarbonylContact O-C 3.48Å; I85-N112 VanDerWaalsContact O-CA 3.26Å; I85-N112 WeakPolarHBondContact O-CA 3.38Å; P86-N112 WeakPolarHBondContact CA-OD1 3.29Å
113V94.3Very high84Confident0 Ų065.9 Ų65.90%035%0.345CS..EExtended strand (participates in β ladder)trans-83.4136.1170.1-176.10000108.6W65 R84 I85 V90 I115 M121 W123W65-V113 HydrophobicContact CH2-CG1 4.13Å; R84-V113 WeakPolarHBondContact CA-O 3.2Å; I85-V113 PolarHBondContact N-O 3.43Å; I85-V113 VanDerWaalsContact N-O 3.12Å; I85-V113 PolarHBondContact O-N 3.23Å; V90-V113 HydrophobicContact CG2-CB 4.36Å; V90-V113 HydrophobicContact CG2-CG2 3.98Å; V113-I115 HydrophobicContact CG1-CG1 4.44Å; V113-M121 HydrophobicContact CG1-CB 4.48Å; V113-M121 HydrophobicContact CG1-CE 3.95Å; V113-W123 HydrophobicContact CG1-CB 4.33Å; V113-W123 HydrophobicContact CG2-CB 4.02Å; V113-W123 HydrophobicContact CG2-CG 3.87Å
114V95.1Very high85.1Confident42 Ų4261 Ų6126%0.25532%0.318SS..EExtended strand (participates in β ladder)trans-91.7124.7171.8-171.60000108T82 R84 M122T82-V114 HydrophobicContact CG2-CG1 4.4Å; R84-V114 HydrophobicContact CG-CG2 4.23Å; V114-M122 HydrophobicContact CB-CB 4.4Å; V114-M122 PolarHBondContact N-O 3.02Å; V114-M122 PolarHBondContact O-N 3.48Å
115I94.9Very high86.2Confident1 Ų154.3 Ų54.31%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-113.6130.8179.2-47.6-173.6000107.6L70 W72 T82 I83 I85 V90 V113 M121L70-I115 HydrophobicContact CB-CG2 4.43Å; L70-I115 HydrophobicContact CD1-CD1 4.12Å; W72-I115 HydrophobicContact CH2-CB 4.46Å; W72-I115 HydrophobicContact CH2-CG2 4.09Å; W72-I115 HydrophobicContact CZ3-CG2 3.75Å; T82-I115 CarbonylContact C-O 3.52Å; T82-I115 WeakPolarHBondContact CA-O 3.34Å; T82-I115 WeakPolarHBondContact CB-O 3.09Å; I83-I115 HydrophobicContact CD1-CD1 4.46Å; I83-I115 HydrophobicContact CG1-CB 3.85Å; I83-I115 HydrophobicContact CG1-CD1 4.43Å; I83-I115 HydrophobicContact CG1-CG1 4.37Å; I83-I115 PolarHBondContact N-O 3.2Å; I83-I115 PolarHBondContact O-N 3.36Å; I85-I115 HydrophobicContact CD1-CD1 3.59Å; I85-I115 HydrophobicContact CG1-CD1 3.79Å; I85-I115 HydrophobicContact CG1-CG1 4.49Å; V90-I115 HydrophobicContact CG1-CD1 4.15Å; V113-I115 HydrophobicContact CG1-CG1 4.44Å; I115-M121 HydrophobicContact CB-SD 4.08Å; I115-M121 HydrophobicContact CD1-CE 3.79Å; I115-M121 HydrophobicContact CD1-SD 3.79Å; I115-M121 HydrophobicContact CG1-CE 3.97Å; I115-M121 HydrophobicContact CG1-SD 3.61Å; I115-M121 HydrophobicContact CG2-SD 3.64Å
116R95.8Very high87.7Confident79 Ų7946.3 Ų46.330%0.29826%0.256SS..EExtended strand (participates in β ladder)trans-102.3150.7173-172.8173.767.4-137.90.8110.5D81 T82 D118 G119 Q120D81-R116 WeakPolarHBondContact O-CA 3.32Å; T82-R116 HydrophobicContact CG2-CB 4.11Å; T82-R116 HydrophobicContact CG2-CG 4.17Å; R116-D118 WeakPolarHBondContact CB-OD1 3.23Å; R116-D118 WeakPolarHBondContact CG-OD1 3.44Å; R116-D118 IonicContact CZ-OD1 2.65Å; R116-D118 IonicContact CZ-OD2 2.8Å; R116-D118 VanDerWaalsContact NE-CG 3.28Å; R116-D118 IonicContact NE-OD1 2.71Å; R116-D118 PolarHBondContact NE-OD1 3.04Å; R116-D118 IonicContact NE-OD2 2.63Å; R116-D118 PolarHBondContact NE-OD2 3.01Å; R116-D118 IonicContact NH2-OD1 3.89Å; R116-D118 PolarHBondContact NH2-OD1 3.4Å; R116-D118 IonicContact NH2-OD2 3.99Å; R116-D118 PolarHBondContact NH2-OD2 3.43Å; R116-D118 PolarHBondContact O-N 3.42Å; R116-G119 PolarHBondContact O-N 3.31Å; R116-Q120 HydrophobicContact CB-CB 4.46Å; R116-Q120 VanDerWaalsContact CZ-OE1 3.25Å; R116-Q120 PolarHBondContact N-O 3.47Å; R116-Q120 VanDerWaalsContact NH2-CB 3.29Å; R116-Q120 VanDerWaalsContact NH2-OE1 3.13Å
117H93.9Very high89.2Confident51 Ų5142.7 Ų42.724%0.23624%0.235CC..THydrogen-bonded Turntrans-51.8-26.5-174.980.696.2000115.9R71 W72 K74 D81 G119R71-H117 WeakPolarHBondContact CA-O 3.46Å; W72-H117 HydrophobicContact CD2-CB 4.05Å; W72-H117 HydrophobicContact CG-CB 4.45Å; W72-H117 HydrophobicContact CH2-CB 4.41Å; W72-H117 VanDerWaalsContact CZ2-CA 3.49Å; W72-H117 HydrophobicContact CZ2-CB 3.81Å; W72-H117 PolarHBondContact N-O 3.38Å; K74-H117 WeakPolarHBondContact CE-CD2 3.37Å; K74-H117 VanDerWaalsContact CE-CE1 3.45Å; K74-H117 WeakPolarHBondContact CE-CE1 3.34Å; K74-H117 WeakPolarHBondContact CE-ND1 3.25Å; K74-H117 WeakPolarHBondContact CE-NE2 3.14Å; K74-H117 HydrophobicContact CG-CB 4.06Å; K74-H117 PolarHBondContact NZ-CD2 3.01Å; K74-H117 VanDerWaalsContact NZ-CD2 3.28Å; K74-H117 PolarHBondContact NZ-NE2 2.89Å; K74-H117 VanDerWaalsContact NZ-NE2 3.12Å; D81-H117 PolarHBondContact O-N 2.91Å; D81-H117 IonicContact OD1-CD2 3.31Å; D81-H117 PolarHBondContact OD1-CD2 2.9Å; D81-H117 VanDerWaalsContact OD1-CD2 3.31Å; D81-H117 IonicContact OD1-NE2 3.4Å; H117-G119 VanDerWaalsContact C-N 3.28Å
118D94Very high90.6Very high51 Ų5145 Ų4527%0.27323%0.234SC..THydrogen-bonded Turntrans-80.5-7.7-179.465.9-28.2000113.1F66 R71 R116 Q120F66-D118 WeakPolarHBondContact CE2-O 3.41Å; F66-D118 WeakPolarHBondContact CZ-O 3.48Å; R71-D118 WeakPolarHBondContact CG-O 3.24Å; R71-D118 PolarHBondContact NE-O 3.28Å; R116-D118 WeakPolarHBondContact CB-OD1 3.23Å; R116-D118 WeakPolarHBondContact CG-OD1 3.44Å; R116-D118 IonicContact CZ-OD1 2.65Å; R116-D118 IonicContact CZ-OD2 2.8Å; R116-D118 VanDerWaalsContact NE-CG 3.28Å; R116-D118 IonicContact NE-OD1 2.71Å; R116-D118 PolarHBondContact NE-OD1 3.04Å; R116-D118 IonicContact NE-OD2 2.63Å; R116-D118 PolarHBondContact NE-OD2 3.01Å; R116-D118 IonicContact NH2-OD1 3.89Å; R116-D118 PolarHBondContact NH2-OD1 3.4Å; R116-D118 IonicContact NH2-OD2 3.99Å; R116-D118 PolarHBondContact NH2-OD2 3.43Å; R116-D118 PolarHBondContact O-N 3.42Å; D118-Q120 PolarHBondContact OD1-N 3.09Å
119G92.7Very high91.7Very high0 Ų043.5 Ų43.50%022%0.224CC..SBendtrans97.53.3-175.200000114F66 D67 R116 H117 M121F66-G119 WeakPolarHBondContact CA-O 3.41Å; D67-G119 PolarHBondContact N-O 3.24Å; R116-G119 PolarHBondContact O-N 3.31Å; H117-G119 VanDerWaalsContact C-N 3.28Å; G119-M121 PolarHBondContact O-N 3.06Å
120Q96.3Very high92.5Very high55 Ų5541.5 Ų41.526%0.25721%0.213SC..EExtended strand (participates in β ladder)trans-71.7125.1171.9-178.1167.692.900110.8V64 R116 D118V64-Q120 HydrophobicContact CG1-CG 3.76Å; R116-Q120 HydrophobicContact CB-CB 4.46Å; R116-Q120 VanDerWaalsContact CZ-OE1 3.25Å; R116-Q120 PolarHBondContact N-O 3.47Å; R116-Q120 VanDerWaalsContact NH2-CB 3.29Å; R116-Q120 VanDerWaalsContact NH2-OE1 3.13Å; D118-Q120 PolarHBondContact OD1-N 3.09Å
121M95.4Very high93.3Very high0 Ų036 Ų360%018%0.183CC..EExtended strand (participates in β ladder)trans-103130.5176.3-56.9-71.3-78.300108.7V64 W65 D67 L70 V90 V113 I115 G119V64-M121 VanDerWaalsContact CA-O 3.31Å; V64-M121 WeakPolarHBondContact CA-O 3.4Å; W65-M121 HydrophobicContact CD2-CB 3.63Å; W65-M121 HydrophobicContact CD2-CG 4.37Å; W65-M121 HydrophobicContact CE3-CB 4.09Å; W65-M121 HydrophobicContact CG-CB 4.09Å; W65-M121 HydrophobicContact CH2-CB 4.13Å; W65-M121 HydrophobicContact CZ2-CB 3.67Å; W65-M121 HydrophobicContact CZ2-CE 3.94Å; W65-M121 HydrophobicContact CZ2-CG 4.14Å; W65-M121 HydrophobicContact CZ3-CB 4.32Å; W65-M121 PolarHBondContact N-O 3.49Å; W65-M121 PolarHBondContact O-N 3.33Å; D67-M121 HydrophobicContact CB-CG 3.78Å; D67-M121 HydrophobicContact CB-SD 4.14Å; L70-M121 HydrophobicContact CD1-CE 3.83Å; L70-M121 HydrophobicContact CD1-SD 4Å; V90-M121 HydrophobicContact CB-CE 3.82Å; V90-M121 HydrophobicContact CG1-CE 3.84Å; V90-M121 HydrophobicContact CG2-CE 3.96Å; V113-M121 HydrophobicContact CG1-CB 4.48Å; V113-M121 HydrophobicContact CG1-CE 3.95Å; I115-M121 HydrophobicContact CB-SD 4.08Å; I115-M121 HydrophobicContact CD1-CE 3.79Å; I115-M121 HydrophobicContact CD1-SD 3.79Å; I115-M121 HydrophobicContact CG1-CE 3.97Å; I115-M121 HydrophobicContact CG1-SD 3.61Å; I115-M121 HydrophobicContact CG2-SD 3.64Å; G119-M121 PolarHBondContact O-N 3.06Å
122M95.6Very high93.4Very high60 Ų6037.3 Ų37.330%0.29619%0.194SC..EExtended strand (participates in β ladder)trans-127.4116.9174.9177.3-178.3-69.400109.4V64 V114V64-M122 HydrophobicContact CG2-CB 4.42Å; V64-M122 HydrophobicContact CG2-CE 4.19Å; V64-M122 HydrophobicContact CG2-CG 4.2Å; V114-M122 HydrophobicContact CB-CB 4.4Å; V114-M122 PolarHBondContact N-O 3.02Å; V114-M122 PolarHBondContact O-N 3.48Å
123W94.4Very high93.5Very high11 Ų1133.1 Ų33.14%0.04217%0.172CC..EExtended strand (participates in β ladder)trans-116.7110.3176.7-175.231.5000110.1R62 Q63 W65 R92 P108 T111 V113R62-W123 WeakPolarHBondContact CA-O 3.35Å; Q63-W123 PolarHBondContact N-O 3.28Å; Q63-W123 PolarHBondContact O-N 3.45Å; W65-W123 HydrophobicContact CH2-CB 3.82Å; W65-W123 HydrophobicContact CZ3-CB 3.62Å; R92-W123 HydrophobicContact CB-CZ3 4.46Å; R92-W123 HydrophobicContact CG-CE3 4.49Å; P108-W123 HydrophobicContact CB-CH2 4.12Å; P108-W123 HydrophobicContact CB-CZ2 4.23Å; P108-W123 HydrophobicContact CG-CH2 4.31Å; T111-W123 PolarHBondContact OG1-NE1 3.38Å; V113-W123 HydrophobicContact CG1-CB 4.33Å; V113-W123 HydrophobicContact CG2-CB 4.02Å; V113-W123 HydrophobicContact CG2-CG 3.87Å
124D91.9Very high93.3Very high50 Ų5039.9 Ų39.927%0.26720%0.201SC..EExtended strand (participates in β ladder)trans-99.6114.6172.8-67.8-7.1000108.1R62 T111R62-D124 VanDerWaalsContact CB-OD1 3.26Å; R62-D124 WeakPolarHBondContact CB-OD1 3.41Å; R62-D124 WeakPolarHBondContact CD-OD1 3.4Å; R62-D124 WeakPolarHBondContact CG-OD1 3.45Å; R62-D124 IonicContact CZ-OD1 2.7Å; R62-D124 IonicContact CZ-OD2 2.83Å; R62-D124 IonicContact NE-OD1 2.71Å; R62-D124 PolarHBondContact NE-OD1 2.86Å; R62-D124 IonicContact NE-OD2 2.78Å; R62-D124 PolarHBondContact NE-OD2 3.44Å; R62-D124 IonicContact NH2-OD1 3.38Å; R62-D124 IonicContact NH2-OD2 3.78Å; R62-D124 PolarHBondContact NH2-OD2 2.94Å; T111-D124 WeakPolarHBondContact CB-O 3.11Å; T111-D124 PolarHBondContact OG1-O 2.9Å
125S91Very high93Very high1 Ų138 Ų381%0.00719%0.19CC..EExtended strand (participates in β ladder)trans-125.6123.9177.4-171.90000111.3I61 P108 M109I61-S125 PolarHBondContact N-O 3.47Å; I61-S125 PolarHBondContact O-N 3.43Å; P108-S125 WeakPolarHBondContact CB-OG 3.46Å; M109-S125 PolarHBondContact N-OG 3.09Å; M109-S125 VanDerWaalsContact N-OG 3.1Å; M109-S125 PolarHBondContact O-OG 2.88Å
126P91.9Very high92.6Very high31 Ų3141.6 Ų41.620%0.20121%0.209CC..EExtended strand (participates in β ladder)trans-75.9133.1168.730.7-30.9000110Y58 M109Y58-P126 HydrophobicContact CE2-CB 3.92Å; Y58-P126 VanDerWaalsContact OH-CB 3.27Å; Y58-P126 WeakPolarHBondContact OH-CB 3.45Å; M109-P126 HydrophobicContact CB-CG 4.46Å; M109-P126 WeakPolarHBondContact CG-O 3.35Å
127A89.4Confident92.2Very high11 Ų1137.9 Ų37.99%0.09120%0.195CC..EExtended strand (participates in β ladder)trans-134.7133.7179.900000111.2L59 I61 T129L59-A127 PolarHBondContact N-O 2.87Å; L59-A127 PolarHBondContact O-N 3.39Å; I61-A127 HydrophobicContact CD1-CB 3.96Å; A127-T129 HydrophobicContact CB-CG2 3.87Å
128I91.5Very high91.8Very high98 Ų9836.4 Ų36.450%0.50319%0.19SC..EExtended strand (participates in β ladder)trans-86108.9162.8-63.5172.3000106.2I46 T56 Y58I46-I128 HydrophobicContact CD1-CD1 4.36Å; I46-I128 HydrophobicContact CD1-CG1 4.07Å; I46-I128 HydrophobicContact CD1-CG2 3.9Å; T56-I128 HydrophobicContact CG2-CG2 3.73Å; Y58-I128 HydrophobicContact CD2-CG1 3.75Å; Y58-I128 HydrophobicContact CE2-CG1 4.29Å
129T91.1Very high91.4Very high13 Ų1339.8 Ų39.88%0.0820%0.203CC..EExtended strand (participates in β ladder)trans-107.5125.8-174.757.80000110.6T56 A57 L59 I61 A127T56-T129 WeakPolarHBondContact CA-O 3.42Å; A57-T129 PolarHBondContact N-O 3.48Å; A57-T129 PolarHBondContact O-N 3.23Å; A57-T129 PolarHBondContact O-OG1 3.31Å; L59-T129 HydrophobicContact CD1-CG2 4.18Å; L59-T129 VanDerWaalsContact CD1-OG1 3.28Å; L59-T129 WeakPolarHBondContact CD1-OG1 3.44Å; I61-T129 HydrophobicContact CD1-CG2 4.48Å; A127-T129 HydrophobicContact CB-CG2 3.87Å
130K93Very high91.1Very high72 Ų7240.2 Ų40.231%0.31321%0.205SC..EExtended strand (participates in β ladder)trans-102.3115.4172.4-58.6-178.1-165.9160.20109.1I54 L55 T56 S100 A101 D102I54-K130 HydrophobicContact CG2-CB 3.97Å; L55-K130 WeakPolarHBondContact O-CA 3.2Å; T56-K130 HydrophobicContact CG2-CG 4.15Å; S100-K130 WeakPolarHBondContact CA-O 3.42Å; A101-K130 PolarHBondContact N-O 3.06Å; D102-K130 HydrophobicContact CB-CB 4.26Å; D102-K130 HydrophobicContact CB-CD 4.02Å; D102-K130 HydrophobicContact CB-CG 4.47Å; D102-K130 IonicContact OD1-NZ 3.23Å; D102-K130 PolarHBondContact OD1-NZ 3.18Å; D102-K130 IonicContact OD2-NZ 4Å
131S93.9Very high90.7Very high0 Ų037.9 Ų37.90%020%0.195CC..EExtended strand (participates in β ladder)trans-110.3140179.662.90000110.8I54 L55 N99 F149I54-S131 WeakPolarHBondContact CA-O 3.38Å; L55-S131 PolarHBondContact N-O 3.28Å; L55-S131 PolarHBondContact O-N 3.5Å; L55-S131 PolarHBondContact O-OG 2.83Å; N99-S131 WeakPolarHBondContact O-CA 3.39Å; S131-F149 WeakPolarHBondContact OG-CE1 3.3Å
132S93.5Very high90.3Very high65 Ų6542 Ų4246%0.45521%0.213SC..EExtended strand (participates in β ladder)trans-72.7127.2167.7-177.90000109.4N99N99-S132 PolarHBondContact ND2-O 2.92Å; N99-S132 VanDerWaalsContact ND2-O 3.13Å; N99-S132 PolarHBondContact O-N 3.28Å
133C93.1Very high90.1Very high5 Ų539.5 Ų39.53%0.03420%0.2CC..  trans-139.3115.4-176.9178.90000111.3Q53 L55 V135 C147Q53-C133 WeakPolarHBondContact CB-O 3.48Å; Q53-C133 PolarHBondContact O-N 3.32Å; L55-C133 HydrophobicContact CB-CB 4.41Å; C133-V135 PolarHBondContact O-N 3.46Å; C133-V135 VanDerWaalsContact O-N 3.1Å; C133-C147 HydrophobicContact CB-CB 3.68Å; C133-C147 WeakPolarHBondContact CB-SG 3.39Å; C133-C147 WeakPolarHBondContact SG-CA 3.23Å; C133-C147 WeakPolarHBondContact SG-CB 3.44Å; C133-C147 CovalentContact SG-SG 2.03Å; C133-C147 PolarHBondContact SG-SG 2.93Å
134K90.1Very high89.9Confident142 Ų14241.3 Ų41.362%0.61722%0.223SC*.  trans-70.1106.6174.9-175.8172.3-178.3170.80110.1E272K134-E272 IonicContact NZ-OE2 2.73Å; K134-E272 PolarHBondContact NZ-OE2 3.13Å
135V88.9Confident90Very high3 Ų339.2 Ų39.22%0.01821%0.211CC..  trans-78.9132.7176.7-178.10000110.5E50 C133 V137 Q145E50-V135 HydrophobicContact CB-CG1 4.21Å; E50-V135 HydrophobicContact CB-CG2 4.26Å; E50-V135 HydrophobicContact CG-CG1 3.94Å; E50-V135 HydrophobicContact CG-CG2 4.2Å; C133-V135 PolarHBondContact O-N 3.46Å; C133-V135 VanDerWaalsContact O-N 3.1Å; V135-V137 HydrophobicContact CG1-CG1 3.96Å; V135-Q145 HydrophobicContact CG1-CG 4.28Å
136D87.3Confident90.2Very high75 Ų7545.4 Ų45.440%0.40124%0.24SC..  trans-100.6109.1169.5-174.67.3000111.1S138 Q145D136-S138 VanDerWaalsContact OD1-CB 3.23Å; D136-S138 WeakPolarHBondContact OD1-CB 3.36Å; D136-S138 PolarHBondContact OD1-N 3.23Å; D136-S138 PolarHBondContact OD1-OG 3Å; D136-Q145 PolarHBondContact O-NE2 3Å
137V86.4Confident90.3Very high1 Ų143.9 Ų43.91%0.00623%0.23CC..  trans-91.87.9-178.5-68.30000113.8V135 F139 F140 M268 P269 P275V135-V137 HydrophobicContact CG1-CG1 3.96Å; V137-F139 PolarHBondContact O-N 3.47Å; V137-F139 VanDerWaalsContact O-N 3.14Å; V137-F140 PolarHBondContact O-N 3.32Å; V137-M268 HydrophobicContact CB-SD 4.45Å; V137-P269 HydrophobicContact CG1-CG 4Å; V137-P275 HydrophobicContact CB-CG 4.17Å; V137-P275 HydrophobicContact CG2-CG 3.83Å; V137-P275 WeakPolarHBondContact O-CB 3.38Å
138S85.8Confident90.6Very high20 Ų2050.7 Ų50.714%0.1425%0.254CS..THydrogen-bonded Turntrans-54.8-36.4-174.2-63.90000114.1D136 N273 L276D136-S138 VanDerWaalsContact OD1-CB 3.23Å; D136-S138 WeakPolarHBondContact OD1-CB 3.36Å; D136-S138 PolarHBondContact OD1-N 3.23Å; D136-S138 PolarHBondContact OD1-OG 3Å; S138-N273 PolarHBondContact OG-ND2 3.44Å; S138-L276 WeakPolarHBondContact O-CB 3.25Å; S138-L276 PolarHBondContact O-N 2.71Å
139F86.3Confident90.8Very high123 Ų12346 Ų4654%0.53923%0.23SC..THydrogen-bonded Turntrans-113.916.9-177.4-68.1-82.1000114.2V137 F142V137-F139 PolarHBondContact O-N 3.47Å; V137-F139 VanDerWaalsContact O-N 3.14Å; F139-F142 CarbonylContact O-C 3.54Å; F139-F142 WeakPolarHBondContact O-CA 3.42Å; F139-F142 PolarHBondContact O-N 3Å
140F85.9Confident91Very high9 Ų946.5 Ų46.54%0.03923%0.233CC..THydrogen-bonded Turntrans-51.8135.8177.9179.6-84.8000112V137 Y218 I267 M268 I277V137-F140 PolarHBondContact O-N 3.32Å; F140-Y218 HydrophobicContact CE1-CD1 4.24Å; F140-Y218 HydrophobicContact CE2-CD1 4.48Å; F140-Y218 HydrophobicContact CE2-CE1 4.28Å; F140-Y218 AromaticContact CZ-CD1 3.59Å; F140-Y218 HydrophobicContact CZ-CD1 3.59Å; F140-Y218 AromaticContact CZ-CE1 3.7Å; F140-Y218 HydrophobicContact CZ-CE1 3.7Å; F140-Y218 HydrophobicContact CZ-CG 4.13Å; F140-I267 HydrophobicContact CE1-CD1 4.5Å; F140-I267 HydrophobicContact CZ-CD1 4.09Å; F140-M268 HydrophobicContact CB-SD 4.48Å; F140-M268 HydrophobicContact CD1-SD 4.2Å; F140-M268 HydrophobicContact CG-SD 4.2Å; F140-I277 HydrophobicContact CD1-CG2 3.85Å
141P87.9Confident91Very high6 Ų643.3 Ų43.34%0.03922%0.219CC..THydrogen-bonded Turncis-92.914.94.937.7-38000115.2D143 A215 Y218P141-D143 VanDerWaalsContact C-N 3.29Å; P141-D143 VanDerWaalsContact C-OD1 3.29Å; P141-D143 PolarHBondContact O-N 3.45Å; P141-A215 HydrophobicContact CB-CB 4.24Å; P141-A215 HydrophobicContact CG-CB 4.16Å; P141-A215 VanDerWaalsContact O-CB 3.29Å; P141-A215 WeakPolarHBondContact O-CB 3.5Å; P141-Y218 HydrophobicContact CB-CD2 3.95Å; P141-Y218 HydrophobicContact CB-CG 3.87Å
142F88.3Confident91Very high87 Ų8743.3 Ų43.338%0.38222%0.219SC..SBendtrans-98.634.3-179.3-57.6-87.6000111.5F139 A215 V219 A506F139-F142 CarbonylContact O-C 3.54Å; F139-F142 WeakPolarHBondContact O-CA 3.42Å; F139-F142 PolarHBondContact O-N 3Å; F142-A215 HydrophobicContact CD1-CB 3.55Å; F142-A215 HydrophobicContact CE1-CB 3.4Å; F142-A215 HydrophobicContact CE2-CB 4.42Å; F142-A215 HydrophobicContact CG-CB 4.16Å; F142-A215 HydrophobicContact CZ-CB 3.87Å; F142-V219 HydrophobicContact CE1-CG2 4.36Å; F142-V219 HydrophobicContact CE2-CG2 4.26Å; F142-V219 HydrophobicContact CZ-CG2 3.55Å; F142-A506 WeakPolarHBondContact CD1-O 3.34Å; F142-A506 HydrophobicContact CD2-CB 3.81Å; F142-A506 HydrophobicContact CE1-CB 4.39Å; F142-A506 WeakPolarHBondContact CE1-O 3.22Å; F142-A506 HydrophobicContact CE2-CB 3.29Å; F142-A506 WeakPolarHBondContact CG-O 3.43Å; F142-A506 HydrophobicContact CZ-CB 3.62Å
143D89.6Confident91Very high6 Ų640.4 Ų40.43%0.03220%0.199CC..  trans-86.3153.4-174.956.2-61.9000113.3P141 Q145 R213P141-D143 VanDerWaalsContact C-N 3.29Å; P141-D143 VanDerWaalsContact C-OD1 3.29Å; P141-D143 PolarHBondContact O-N 3.45Å; D143-Q145 PolarHBondContact OD2-NE2 3.27Å; D143-R213 PolarHBondContact O-N 3Å; D143-R213 IonicContact OD1-CZ 2.71Å; D143-R213 IonicContact OD1-NE 2.8Å; D143-R213 PolarHBondContact OD1-NE 2.93Å; D143-R213 IonicContact OD1-NH2 3.71Å; D143-R213 IonicContact OD2-CZ 3.6Å; D143-R213 IonicContact OD2-NE 2.73Å; D143-R213 PolarHBondContact OD2-NE 3.29Å; D143-R213 IonicContact OD2-NH2 3.36Å; D143-R213 PolarHBondContact OD2-NH2 2.83Å
144G91.4Very high90.8Very high50 Ų5048.7 Ų48.752%0.51523%0.229SC..EExtended strand (participates in β ladder)trans-126.1130.7170.700000109.6L211G144-L211 CarbonylContact C-O 3.56Å; G144-L211 WeakPolarHBondContact CA-O 3.24Å
145Q93.3Very high90.8Very high5 Ų545.9 Ų45.92%0.02322%0.224CC..EExtended strand (participates in β ladder)trans-111.7150-173.2-55-55.9-23.300111.3V135 D136 D143 W181 L211V135-Q145 HydrophobicContact CG1-CG 4.28Å; D136-Q145 PolarHBondContact O-NE2 3Å; D143-Q145 PolarHBondContact OD2-NE2 3.27Å; Q145-W181 HydrophobicContact CB-CH2 4.49Å; Q145-W181 HydrophobicContact CB-CZ3 4.36Å; Q145-W181 HydrophobicContact CG-CH2 3.58Å; Q145-W181 HydrophobicContact CG-CZ3 3.79Å; Q145-L211 HydrophobicContact CB-CB 4.41Å; Q145-L211 PolarHBondContact N-O 2.92Å; Q145-L211 PolarHBondContact O-N 2.75Å
146Q94.6Very high91Very high131 Ų13147.9 Ų47.961%0.61223%0.232SC*.EExtended strand (participates in β ladder)trans-13192.8179.7-67.8-173.957.600110T208 L209 K210Q146-T208 HydrophobicContact CB-CG2 4.42Å; Q146-L209 WeakPolarHBondContact CA-O 3.46Å; Q146-K210 HydrophobicContact CG-CG 4.39Å
147C95.6Very high91.2Very high0 Ų045.1 Ų45.10%022%0.217CC..EExtended strand (participates in β ladder)trans-94.5146.2-180-60.20000111.1L55 C133 T208 L209L55-C147 HydrophobicContact CB-CB 4.47Å; L55-C147 HydrophobicContact CD2-CB 3.4Å; L55-C147 VanDerWaalsContact CD2-CB 3.4Å; C133-C147 HydrophobicContact CB-CB 3.68Å; C133-C147 WeakPolarHBondContact CB-SG 3.39Å; C133-C147 WeakPolarHBondContact SG-CA 3.23Å; C133-C147 WeakPolarHBondContact SG-CB 3.44Å; C133-C147 CovalentContact SG-SG 2.03Å; C133-C147 PolarHBondContact SG-SG 2.93Å; C147-T208 CarbonylContact O-C 3.54Å; C147-T208 WeakPolarHBondContact O-CA 3.45Å; C147-L209 PolarHBondContact N-O 3.43Å; C147-L209 PolarHBondContact O-N 3.16Å
148R95.8Very high91.4Very high153 Ų15345.9 Ų45.958%0.57723%0.225SC*.EExtended strand (participates in β ladder)trans-113.1141.8-178.2-67.1-179.2-178.4-176.13.4110N99 T206 Y207 T208N99-R148 PolarHBondContact ND2-O 3.41Å; R148-T206 HydrophobicContact CB-CG2 3.99Å; R148-T206 HydrophobicContact CG-CG2 4Å; R148-Y207 CarbonylContact C-O 3.54Å; R148-Y207 WeakPolarHBondContact CA-O 3.18Å; R148-T208 HydrophobicContact CG-CG2 4.39Å
149F94.8Very high91.6Very high0 Ų049.3 Ų49.30%024%0.242CC..EExtended strand (participates in β ladder)trans-118.2105.7166.1-62.7-92.8000107.1L55 A57 L59 L97 S131 Y151 M186 T206 Y207 L209L55-F149 HydrophobicContact CD2-CE2 3.67Å; L55-F149 HydrophobicContact CD2-CZ 3.48Å; L55-F149 VanDerWaalsContact CD2-CZ 3.48Å; L55-F149 HydrophobicContact CG-CZ 4.01Å; A57-F149 HydrophobicContact CB-CE1 4.29Å; A57-F149 HydrophobicContact CB-CZ 3.8Å; L59-F149 HydrophobicContact CD1-CD1 4.06Å; L59-F149 HydrophobicContact CD1-CE1 4.16Å; L59-F149 HydrophobicContact CD1-CG 4.43Å; L97-F149 HydrophobicContact CD1-CB 4.02Å; L97-F149 HydrophobicContact CD1-CD1 4.2Å; S131-F149 WeakPolarHBondContact OG-CE1 3.3Å; F149-Y151 HydrophobicContact CB-CD2 4.44Å; F149-Y151 HydrophobicContact CB-CE2 3.82Å; F149-M186 HydrophobicContact CD2-CE 3.75Å; F149-M186 HydrophobicContact CE2-CE 4.22Å; F149-M186 HydrophobicContact CG-CE 4.42Å; F149-T206 WeakPolarHBondContact O-CA 3.44Å; F149-Y207 PolarHBondContact N-O 3.49Å; F149-Y207 PolarHBondContact O-N 2.82Å; F149-L209 HydrophobicContact CE2-CB 4.15Å; F149-L209 HydrophobicContact CE2-CD2 4.21Å
150T94.4Very high91.9Very high23 Ų2347 Ų4714%0.14123%0.233CC..EExtended strand (participates in β ladder)trans-100.3107.8-176.5-57.50000109.9L97 Y98 N99 D204 T206L97-T150 WeakPolarHBondContact CA-O 3.32Å; Y98-T150 HydrophobicContact CD2-CG2 3.77Å; Y98-T150 HydrophobicContact CG-CG2 4.5Å; Y98-T150 PolarHBondContact N-O 2.86Å; N99-T150 PolarHBondContact OD1-N 3.29Å; T150-D204 HydrophobicContact CG2-CB 4.04Å; T150-T206 PolarHBondContact OG1-OG1 2.86Å
151Y94.4Very high92.3Very high6 Ų646.7 Ų46.72%0.02423%0.231CC..EExtended strand (participates in β ladder)trans-102.1134.1178.1-68.7-79.5000111.6L38 V40 L59 I61 I95 V96 L97 F149 D204 V205 Y207L38-Y151 HydrophobicContact CD2-CD2 4.13Å; L38-Y151 HydrophobicContact CD2-CG 4Å; V40-Y151 HydrophobicContact CG2-CE2 4.19Å; L59-Y151 VanDerWaalsContact CD1-OH 3.31Å; L59-Y151 WeakPolarHBondContact CD1-OH 3.19Å; I61-Y151 HydrophobicContact CD1-CE1 3.89Å; I95-Y151 HydrophobicContact CG2-CD1 4.2Å; V96-Y151 WeakPolarHBondContact O-CA 3.28Å; L97-Y151 HydrophobicContact CB-CD1 4.47Å; L97-Y151 HydrophobicContact CB-CE1 4.13Å; L97-Y151 HydrophobicContact CD1-CE1 4.31Å; L97-Y151 HydrophobicContact CD1-CE2 4.48Å; F149-Y151 HydrophobicContact CB-CD2 4.44Å; F149-Y151 HydrophobicContact CB-CE2 3.82Å; Y151-D204 CarbonylContact O-C 3.6Å; Y151-D204 WeakPolarHBondContact O-CA 3.37Å; Y151-V205 PolarHBondContact N-O 3.29Å; Y151-V205 PolarHBondContact O-N 2.84Å; Y151-Y207 HydrophobicContact CD2-CD2 4.02Å; Y151-Y207 HydrophobicContact CD2-CE2 4.23Å; Y151-Y207 HydrophobicContact CE2-CD2 4.35Å
152G93.6Very high92.6Very high0 Ų048.1 Ų48.10%024%0.239CC..EExtended strand (participates in β ladder)trans-158.5169.117400000111.6I95 V96I95-G152 WeakPolarHBondContact CA-O 3.33Å; V96-G152 PolarHBondContact N-O 3.11Å; V96-G152 PolarHBondContact O-N 2.85Å; V96-G152 VanDerWaalsContact O-N 3.15Å
153S93.3Very high92.9Very high4 Ų444 Ų443%0.02822%0.221CC..EExtended strand (participates in β ladder)trans-68.4144.2170.5172.50000110.2D94 Y98 T155 Y156D94-S153 WeakPolarHBondContact OD1-CB 3.33Å; D94-S153 PolarHBondContact OD1-OG 2.78Å; D94-S153 PolarHBondContact OD2-OG 3.45Å; Y98-S153 PolarHBondContact OH-O 3.09Å; S153-T155 PolarHBondContact OG-N 2.94Å; S153-Y156 WeakPolarHBondContact OG-CB 3.29Å; S153-Y156 PolarHBondContact OG-N 2.89Å; S153-Y156 PolarHBondContact OG-O 3.03Å
154W89.8Confident93.1Very high178 Ų17846.4 Ų46.467%0.67423%0.233SC*.SBendtrans-85-36.6175.3-167.8-109.1000113D94 V96 Y98D94-W154 PolarHBondContact O-N 3.21Å; D94-W154 PolarHBondContact OD2-N 3.37Å; V96-W154 HydrophobicContact CG2-CB 3.93Å; V96-W154 HydrophobicContact CG2-CD2 4.35Å; V96-W154 HydrophobicContact CG2-CE3 3.77Å; V96-W154 HydrophobicContact CG2-CG 4.46Å; Y98-W154 HydrophobicContact CD1-CE3 4.15Å; Y98-W154 HydrophobicContact CD1-CZ3 4.19Å; Y98-W154 HydrophobicContact CE1-CE3 4.02Å; Y98-W154 HydrophobicContact CE1-CZ3 4.42Å
155T90.4Very high93.2Very high84 Ų8446.7 Ų46.752%0.51522%0.223SC..SBendtrans-111.4-32-170.661.20000114.3D94 S153D94-T155 VanDerWaalsContact OD2-CB 3.32Å; D94-T155 WeakPolarHBondContact OD2-CB 3.45Å; D94-T155 WeakPolarHBondContact OD2-CG2 3.44Å; D94-T155 PolarHBondContact OD2-N 3.17Å; D94-T155 PolarHBondContact OD2-OG1 2.87Å; S153-T155 PolarHBondContact OG-N 2.94Å
156Y91.8Very high93.2Very high44 Ų4448.7 Ų48.717%0.17324%0.24CC..  trans-90134.8-177.6-56.9-71.1000111.5R25 W91 D94 S153 Q160 L161 Y202R25-Y156 HydrophobicContact CB-CE1 4.43Å; W91-Y156 AromaticContact CZ2-CE2 3.71Å; W91-Y156 HydrophobicContact CZ2-CE2 3.71Å; W91-Y156 PolarHBondContact NE1-OH 2.64Å; D94-Y156 WeakPolarHBondContact OD1-CD2 3.49Å; S153-Y156 WeakPolarHBondContact OG-CB 3.29Å; S153-Y156 PolarHBondContact OG-N 2.89Å; S153-Y156 PolarHBondContact OG-O 3.03Å; Y156-Q160 HydrophobicContact CD1-CB 4.16Å; Y156-L161 HydrophobicContact CD2-CD1 3.8Å; Y156-L161 HydrophobicContact CG-CB 4.24Å; Y156-L161 HydrophobicContact CG-CD1 4.35Å; Y156-Y202 WeakPolarHBondContact O-CD1 3.38Å; Y156-Y202 VanDerWaalsContact O-CE1 3.3Å; Y156-Y202 WeakPolarHBondContact O-CE1 3.4Å
157N91.5Very high93Very high18 Ų1846.1 Ų46.110%0.09623%0.229CC..  trans-83.9172.8172.368.711.6000111.4N159 Q160 L161 D200 Y202N157-N159 PolarHBondContact O-N 2.88Å; N157-N159 WeakPolarHBondContact OD1-CB 3.17Å; N157-N159 PolarHBondContact OD1-N 3.26Å; N157-N159 VanDerWaalsContact OD1-N 3.16Å; N157-Q160 PolarHBondContact O-N 2.71Å; N157-Q160 WeakPolarHBondContact OD1-CG 3.29Å; N157-Q160 PolarHBondContact OD1-N 3.41Å; N157-L161 PolarHBondContact O-N 3.33Å; N157-L161 VanDerWaalsContact O-N 3.07Å; N157-D200 HydrophobicContact CB-CB 3.89Å; N157-D200 VanDerWaalsContact ND2-CG 3.28Å; N157-D200 PolarHBondContact ND2-OD2 3.49Å; N157-Y202 HydrophobicContact CB-CE1 4.25Å; N157-Y202 HydrophobicContact CB-CE2 4.24Å
158G90.5Very high92.8Very high16 Ų1654.4 Ų54.417%0.16527%0.267CS..THydrogen-bonded Turntrans-63.2-11.5179.800000115.9P201G158-P201 PolarHBondContact N-O 3.02Å
159N90.4Very high92.6Very high93 Ų9349.9 Ų49.950%0.49726%0.26SS..THydrogen-bonded Turntrans-87.8-9.4174.7-60.9-31.7000112.5N157N157-N159 PolarHBondContact O-N 2.88Å; N157-N159 WeakPolarHBondContact OD1-CB 3.17Å; N157-N159 PolarHBondContact OD1-N 3.26Å; N157-N159 VanDerWaalsContact OD1-N 3.16Å
160Q92.2Very high92.4Very high75 Ų7550 Ų5035%0.3526%0.261SS..THydrogen-bonded Turntrans-116.2-38.6-177.2-69.8172.9-23.700112.3R25 L34 Y156 N157R25-Q160 PolarHBondContact NH1-O 2.86Å; L34-Q160 PolarHBondContact N-O 3.03Å; Y156-Q160 HydrophobicContact CD1-CB 4.16Å; N157-Q160 PolarHBondContact O-N 2.71Å; N157-Q160 WeakPolarHBondContact OD1-CG 3.29Å; N157-Q160 PolarHBondContact OD1-N 3.41Å
161L94.1Very high92.1Very high1 Ų151.4 Ų51.41%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-139.4124.4-179.5-172.5159.2000108.6L34 V36 W91 P93 I95 Y156 N157L34-L161 CarbonylContact O-C 3.52Å; L34-L161 WeakPolarHBondContact O-CA 3.36Å; V36-L161 HydrophobicContact CB-CD2 4.33Å; V36-L161 HydrophobicContact CG2-CD1 4.01Å; V36-L161 HydrophobicContact CG2-CD2 4.01Å; V36-L161 HydrophobicContact CG2-CG 3.9Å; W91-L161 HydrophobicContact CH2-CD1 4.31Å; P93-L161 HydrophobicContact CB-CD1 3.99Å; I95-L161 HydrophobicContact CD1-CD2 4.35Å; Y156-L161 HydrophobicContact CD2-CD1 3.8Å; Y156-L161 HydrophobicContact CG-CB 4.24Å; Y156-L161 HydrophobicContact CG-CD1 4.35Å; N157-L161 PolarHBondContact O-N 3.33Å; N157-L161 VanDerWaalsContact O-N 3.07Å
162D94.6Very high92Very high37 Ų3753.9 Ų53.920%0.19828%0.28CS..EExtended strand (participates in β ladder)trans-111.2125.5172.7-169.536.6000110.8I33 L34 N35 V36 K190I33-D162 HydrophobicContact CG2-CB 3.7Å; L34-D162 PolarHBondContact O-N 3.19Å; N35-D162 WeakPolarHBondContact CA-O 3.47Å; V36-D162 PolarHBondContact N-O 3.27Å; D162-K190 WeakPolarHBondContact OD1-CE 3.32Å; D162-K190 IonicContact OD1-NZ 3.77Å; D162-K190 PolarHBondContact OD1-NZ 2.77Å; D162-K190 IonicContact OD2-NZ 3.75Å; D162-K190 PolarHBondContact OD2-NZ 3.24Å
163I95.1Very high91.7Very high1 Ų157.8 Ų57.81%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-91.7131.5179.1-168.2172.3000110V36 L38 I95 K190 P203 V205V36-I163 WeakPolarHBondContact O-CA 3.29Å; L38-I163 HydrophobicContact CB-CD1 4.2Å; L38-I163 HydrophobicContact CB-CG1 4.22Å; L38-I163 HydrophobicContact CD2-CD1 3.92Å; I95-I163 HydrophobicContact CD1-CD1 4.24Å; I95-I163 HydrophobicContact CG2-CD1 4.36Å; I163-K190 WeakPolarHBondContact O-CD 3.38Å; I163-K190 WeakPolarHBondContact O-CE 3.2Å; I163-K190 PolarHBondContact O-NZ 3.42Å; I163-P203 HydrophobicContact CG2-CB 3.93Å; I163-P203 HydrophobicContact CG2-CG 4.2Å; I163-P203 VanDerWaalsContact CG2-O 3.3Å; I163-P203 WeakPolarHBondContact CG2-O 3.47Å; I163-V205 HydrophobicContact CB-CG2 4.43Å; I163-V205 HydrophobicContact CD1-CB 4.43Å; I163-V205 HydrophobicContact CD1-CG2 3.98Å; I163-V205 HydrophobicContact CG1-CG2 3.83Å; I163-V205 HydrophobicContact CG2-CG2 3.94Å
164L94.4Very high91.4Very high56 Ų5662.6 Ų62.629%0.29334%0.338SS..EExtended strand (participates in β ladder)trans-122.3139.5-177.4-61.8174.6000109.7N35 V36 T37 L38N35-L164 HydrophobicContact CB-CD1 4.07Å; V36-L164 PolarHBondContact O-N 2.8Å; T37-L164 CarbonylContact C-O 3.42Å; T37-L164 WeakPolarHBondContact CA-O 3.3Å; L38-L164 PolarHBondContact N-O 3.46Å
165N93.4Very high91.6Very high56 Ų5656.3 Ų56.330%0.29932%0.317SS..EExtended strand (participates in β ladder)trans-82.3129.1172.960.4-61.8000110M167 V205N165-M167 VanDerWaalsContact C-N 3.25Å; N165-M167 PolarHBondContact ND2-O 3.02Å; N165-M167 PolarHBondContact O-N 3.09Å; N165-V205 HydrophobicContact CB-CG1 4.34Å
166A91.8Very high91.7Very high46 Ų4656.2 Ų56.238%0.3832%0.317SS..SBendtrans-65.8-30175.900000113T37 L38 Q39T37-A166 HydrophobicContact CG2-CB 3.71Å; L38-A166 PolarHBondContact O-N 3.42Å; Q39-A166 HydrophobicContact CB-CB 3.73Å; Q39-A166 HydrophobicContact CG-CB 4.36Å
167M91.1Very high91.7Very high77 Ų7761.4 Ų61.438%0.37934%0.342SS..SBendtrans-145.6161.4-176-65.5-170.5-64.600110.1Q39 N165 S169 D171Q39-M167 HydrophobicContact CG-CE 4.17Å; N165-M167 VanDerWaalsContact C-N 3.25Å; N165-M167 PolarHBondContact ND2-O 3.02Å; N165-M167 PolarHBondContact O-N 3.09Å; M167-S169 VanDerWaalsContact C-N 3.27Å; M167-S169 WeakPolarHBondContact CB-O 3.34Å; M167-S169 PolarHBondContact O-N 3.01Å; M167-D171 HydrophobicContact CE-CB 3.92Å
168E90.7Very high91.7Very high174 Ų17462.3 Ų62.381%0.81335%0.347SS*.SBendtrans-73.9-16.6176.7-62.4-172.6168.100113.4A188E168-A188 PolarHBondContact O-N 3.05Å
169S91.6Very high91.6Very high59 Ų5968 Ų6841%0.41338%0.379SS..BIsolated β-bridgetrans-133.6158.8172.1620000110.9M167 M186M167-S169 VanDerWaalsContact C-N 3.27Å; M167-S169 WeakPolarHBondContact CB-O 3.34Å; M167-S169 PolarHBondContact O-N 3.01Å; S169-M186 WeakPolarHBondContact CA-O 3.41Å
170A90.3Very high91.6Very high3 Ų366.4 Ų66.43%0.02537%0.368CS..  trans-60.3154.2162.200000110.3V40 M186 Y207V40-A170 VanDerWaalsContact O-CA 3.26Å; V40-A170 WeakPolarHBondContact O-CA 3.36Å; V40-A170 VanDerWaalsContact O-CB 3.28Å; V40-A170 WeakPolarHBondContact O-CB 3.48Å; A170-M186 HydrophobicContact CB-CB 3.92Å; A170-M186 HydrophobicContact CB-CE 4.39Å; A170-M186 HydrophobicContact CB-CG 3.71Å; A170-M186 HydrophobicContact CB-SD 3.78Å; A170-M186 PolarHBondContact N-O 3.43Å; A170-Y207 HydrophobicContact CB-CD1 3.9Å; A170-Y207 HydrophobicContact CB-CE1 4.14Å
171D90.2Very high91.6Very high51 Ų5163 Ų6327%0.27335%0.352SS..BIsolated β-bridgetrans-77140.3171.2-162.8-11.6000110V40 T41 L42 M167 A173V40-D171 PolarHBondContact O-N 2.86Å; T41-D171 WeakPolarHBondContact CA-O 3.22Å; T41-D171 HydrophobicContact CG2-CB 3.91Å; T41-D171 WeakPolarHBondContact OG1-CB 3.19Å; L42-D171 PolarHBondContact N-O 3.3Å; M167-D171 HydrophobicContact CE-CB 3.92Å; D171-A173 WeakPolarHBondContact OD1-CB 3.36Å; D171-A173 PolarHBondContact OD1-N 2.87Å
172L90.4Very high91.6Very high58 Ų5866 Ų6630%0.30437%0.366SS..  trans-127.47.6-177.8-58.2175.8000111.7L42 D174 L175 V183L42-L172 HydrophobicContact CB-CD2 3.97Å; L42-L172 HydrophobicContact CD2-CD2 4.08Å; L172-D174 VanDerWaalsContact C-N 3.3Å; L172-D174 PolarHBondContact O-N 3.29Å; L172-L175 VanDerWaalsContact O-CB 3.23Å; L172-L175 WeakPolarHBondContact O-CB 3.42Å; L172-L175 PolarHBondContact O-N 2.89Å; L172-V183 HydrophobicContact CD2-CG1 4.48Å
173A87.4Confident91.6Very high82 Ų8265.9 Ų65.968%0.67837%0.367SS*.THydrogen-bonded Turntrans-61.2-36.8-17800000113.2D171D171-A173 WeakPolarHBondContact OD1-CB 3.36Å; D171-A173 PolarHBondContact OD1-N 2.87Å
174D88.3Confident91.5Very high105 Ų10570.9 Ų70.956%0.56139%0.393SS*.THydrogen-bonded Turntrans-96.621179.4-62.1-44.8000113.1L172 V176L172-D174 VanDerWaalsContact C-N 3.3Å; L172-D174 PolarHBondContact O-N 3.29Å; D174-V176 PolarHBondContact O-N 3.4Å
175L93.1Very high91.5Very high46 Ų4668.9 Ų68.924%0.24139%0.386CS..PPolyproline II helixtrans-72.5118.4-179178.266.1000111.6L42 S43 L172 V183L42-L175 HydrophobicContact CD2-CD1 3.87Å; L42-L175 HydrophobicContact CG-CD1 3.87Å; S43-L175 WeakPolarHBondContact O-CA 3.26Å; L172-L175 VanDerWaalsContact O-CB 3.23Å; L172-L175 WeakPolarHBondContact O-CB 3.42Å; L172-L175 PolarHBondContact O-N 2.89Å; L175-V183 HydrophobicContact CD1-CG2 4.42Å; L175-V183 HydrophobicContact CD2-CB 3.86Å; L175-V183 HydrophobicContact CD2-CG1 4.19Å; L175-V183 HydrophobicContact CD2-CG2 3.94Å
176V93.5Very high91.6Very high83 Ų8366.3 Ų66.350%0.50337%0.372SS..PPolyproline II helixtrans-79121.5165-175.80000109.1S43 Q44 D174 N178S43-V176 PolarHBondContact O-N 2.95Å; Q44-V176 HydrophobicContact CB-CB 4.21Å; D174-V176 PolarHBondContact O-N 3.4Å; V176-N178 PolarHBondContact O-N 3.42Å
177E90.4Very high91.8Very high152 Ų15266.6 Ų66.671%0.7137%0.37SS*.PPolyproline II helixtrans-61.6133.1177.9-71.3-167.3-15300112.1R214E177-R214 IonicContact OE2-NH2 2.83Å; E177-R214 PolarHBondContact OE2-NH2 3.14Å
178N91.3Very high92.1Very high37 Ų3763.6 Ų63.620%0.19836%0.357CS..PPolyproline II helixtrans-91.7141.8176.3-174-68.8000110.8I45 V176 E180 W181 R214I45-N178 PolarHBondContact O-ND2 2.95Å; I45-N178 VanDerWaalsContact O-ND2 3.15Å; V176-N178 PolarHBondContact O-N 3.42Å; N178-E180 VanDerWaalsContact C-N 3.28Å; N178-E180 PolarHBondContact O-N 2.95Å; N178-E180 PolarHBondContact OD1-N 2.76Å; N178-W181 HydrophobicContact CB-CB 4.42Å; N178-W181 PolarHBondContact OD1-N 2.88Å; N178-W181 VanDerWaalsContact OD1-N 3.07Å; N178-R214 PolarHBondContact O-NE 2.84Å
179V89.6Confident92.3Very high137 Ų13761.7 Ų61.783%0.8335%0.346SS*.SBendtrans-70.6-24.9-176-179.20000112.5R214V179-R214 WeakPolarHBondContact O-CD 3.41Å
180E89.6Confident92.5Very high58 Ų5861.6 Ų61.627%0.27134%0.338SS..SBendtrans-105.2-34.9-178.3-164.1-166.4148.400112.4N178 R213 R214 Y218N178-E180 VanDerWaalsContact C-N 3.28Å; N178-E180 PolarHBondContact O-N 2.95Å; N178-E180 PolarHBondContact OD1-N 2.76Å; E180-R213 HydrophobicContact CG-CG 4.41Å; E180-R213 IonicContact OE1-CZ 3.83Å; E180-R213 IonicContact OE1-NH1 3.52Å; E180-R213 PolarHBondContact OE1-NH1 3.01Å; E180-R214 WeakPolarHBondContact O-CB 3.5Å; E180-R214 WeakPolarHBondContact O-CG 3.36Å; E180-R214 PolarHBondContact O-N 3.33Å; E180-Y218 HydrophobicContact CG-CE2 4.47Å; E180-Y218 PolarHBondContact OE1-OH 3.41Å
181W92.8Very high92.6Very high5 Ų563.4 Ų63.42%0.01935%0.348CS..EExtended strand (participates in β ladder)trans-115.4122.9-172.5-66.198.1000113.3I45 M48 Q145 N178 L211 R213I45-W181 HydrophobicContact CD1-CB 4.37Å; M48-W181 HydrophobicContact CB-CZ2 4.39Å; M48-W181 HydrophobicContact CE-CZ2 4.49Å; M48-W181 HydrophobicContact CG-CZ2 3.97Å; Q145-W181 HydrophobicContact CB-CH2 4.49Å; Q145-W181 HydrophobicContact CB-CZ3 4.36Å; Q145-W181 HydrophobicContact CG-CH2 3.58Å; Q145-W181 HydrophobicContact CG-CZ3 3.79Å; N178-W181 HydrophobicContact CB-CB 4.42Å; N178-W181 PolarHBondContact OD1-N 2.88Å; N178-W181 VanDerWaalsContact OD1-N 3.07Å; W181-L211 HydrophobicContact CD2-CB 4.48Å; W181-L211 HydrophobicContact CE3-CB 3.69Å; W181-L211 HydrophobicContact CE3-CD1 4.47Å; W181-L211 HydrophobicContact CZ3-CB 4.12Å; W181-R213 HydrophobicContact CE3-CB 4.17Å; W181-R213 HydrophobicContact CH2-CB 4.13Å; W181-R213 HydrophobicContact CH2-CG 4.38Å; W181-R213 VanDerWaalsContact CZ2-CZ 3.42Å; W181-R213 HydrophobicContact CZ3-CB 3.79Å; W181-R213 HydrophobicContact CZ3-CG 4.39Å
182E93.7Very high92.8Very high64 Ų6466.7 Ų66.730%0.29936%0.364SS..EExtended strand (participates in β ladder)trans-86.6123.2168.7-178.1-179.5-164.400109.4L184 L211 K212E182-L184 HydrophobicContact CG-CD2 4.32Å; E182-L211 CarbonylContact O-C 3.54Å; E182-L211 WeakPolarHBondContact O-CA 3.44Å; E182-K212 HydrophobicContact CB-CB 4.33Å; E182-K212 PolarHBondContact N-O 3.13Å; E182-K212 PolarHBondContact O-N 3.26Å; E182-K212 WeakPolarHBondContact OE2-CD 3.34Å; E182-K212 WeakPolarHBondContact OE2-CE 3.47Å; E182-K212 IonicContact OE2-NZ 3.24Å; E182-K212 PolarHBondContact OE2-NZ 3.48Å
183V94.8Very high92.8Very high34 Ų3466.4 Ų66.421%0.20637%0.365CS..EExtended strand (participates in β ladder)trans-86.8115.1177.6179.70000109.6L42 I45 L172 L175 L209 L211L42-V183 HydrophobicContact CD2-CG1 4.41Å; L42-V183 HydrophobicContact CD2-CG2 4.46Å; I45-V183 HydrophobicContact CD1-CG2 3.62Å; L172-V183 HydrophobicContact CD2-CG1 4.48Å; L175-V183 HydrophobicContact CD1-CG2 4.42Å; L175-V183 HydrophobicContact CD2-CB 3.86Å; L175-V183 HydrophobicContact CD2-CG1 4.19Å; L175-V183 HydrophobicContact CD2-CG2 3.94Å; V183-L209 HydrophobicContact CG1-CD1 3.85Å; V183-L211 HydrophobicContact CG2-CD2 3.92Å
184L93.5Very high93Very high106 Ų10669 Ų6956%0.55536%0.363SS*.EExtended strand (participates in β ladder)trans-87.1-15.5177.8-58.7179.8000113E182 K210 K212E182-L184 HydrophobicContact CG-CD2 4.32Å; L184-K210 HydrophobicContact CB-CB 4.03Å; L184-K210 PolarHBondContact N-O 3.47Å; L184-K212 HydrophobicContact CD1-CB 4.08Å; L184-K212 HydrophobicContact CD2-CB 4.44Å; L184-K212 HydrophobicContact CD2-CD 4.48Å; L184-K212 HydrophobicContact CG-CB 4.22Å
185G94.1Very high93Very high14 Ų1467.8 Ų67.814%0.14435%0.351CS..EExtended strand (participates in β ladder)trans141.5166.2176.900000113.4K210G185-K210 WeakPolarHBondContact O-CB 3.21Å; G185-K210 PolarHBondContact O-N 3.25Å
186M95.6Very high92.7Very high2 Ų270.2 Ų70.21%0.0139%0.387CS..  trans-136.570.7-176.6-175.1170.9174.700111.3V40 L42 L59 F149 S169 A170 Y207 T208 L209V40-M186 HydrophobicContact CG1-CE 4.15Å; L42-M186 HydrophobicContact CB-SD 4.18Å; L42-M186 HydrophobicContact CD2-SD 4.39Å; L59-M186 HydrophobicContact CD2-CE 4.47Å; F149-M186 HydrophobicContact CD2-CE 3.75Å; F149-M186 HydrophobicContact CE2-CE 4.22Å; F149-M186 HydrophobicContact CG-CE 4.42Å; S169-M186 WeakPolarHBondContact CA-O 3.41Å; A170-M186 HydrophobicContact CB-CB 3.92Å; A170-M186 HydrophobicContact CB-CE 4.39Å; A170-M186 HydrophobicContact CB-CG 3.71Å; A170-M186 HydrophobicContact CB-SD 3.78Å; A170-M186 PolarHBondContact N-O 3.43Å; M186-Y207 VanDerWaalsContact CE-CB 3.45Å; M186-Y207 HydrophobicContact CE-CD1 4.33Å; M186-Y207 HydrophobicContact CE-CG 4.05Å; M186-T208 WeakPolarHBondContact CA-O 3.31Å; M186-L209 HydrophobicContact CB-CD1 3.95Å; M186-L209 HydrophobicContact CG-CB 4.29Å; M186-L209 HydrophobicContact CG-CD1 4.25Å; M186-L209 HydrophobicContact SD-CB 4.33Å; M186-L209 HydrophobicContact SD-CD1 4.04Å
187P96.6Very high92.3Very high52 Ų5271.6 Ų71.634%0.33840%0.399SS..BIsolated β-bridgetrans-58.6142.317523.9-36.3000112.7Y207 T208P187-Y207 WeakPolarHBondContact O-CA 3.42Å; P187-T208 VanDerWaalsContact CD-O 3.27Å; P187-T208 WeakPolarHBondContact CD-O 3.49Å; P187-T208 PolarHBondContact O-N 2.91Å
188A96.3Very high92Very high14 Ų1466.6 Ų66.612%0.11638%0.381CS..EExtended strand (participates in β ladder)trans-102.1134.917600000109.8E168 V205 Y207E168-A188 PolarHBondContact O-N 3.05Å; A188-V205 HydrophobicContact CB-CG1 4.45Å; A188-Y207 HydrophobicContact CB-CD1 3.59Å; A188-Y207 HydrophobicContact CB-CE1 3.4Å; A188-Y207 VanDerWaalsContact CB-CE1 3.4Å; A188-Y207 HydrophobicContact CB-CG 4.35Å
189K95.4Very high91.8Very high134 Ų13468.9 Ų68.958%0.58341%0.405SS*.EExtended strand (participates in β ladder)trans-135.9122174.3-174.2-174.6174.2-156.10110.3N191 T206K189-N191 WeakPolarHBondContact CD-OD1 3.48Å; K189-N191 VanDerWaalsContact CE-OD1 3.3Å; K189-N191 WeakPolarHBondContact CE-OD1 3.15Å; K189-N191 PolarHBondContact NZ-OD1 2.82Å; K189-T206 PolarHBondContact N-O 3.06Å; K189-T206 PolarHBondContact O-N 3.44Å
190K94.6Very high91.8Very high56 Ų5665.5 Ų65.524%0.24338%0.382CS..EExtended strand (participates in β ladder)trans-70.6130.9165-178173.2179.5162.10109.9D162 I163 D204D162-K190 WeakPolarHBondContact OD1-CE 3.32Å; D162-K190 IonicContact OD1-NZ 3.77Å; D162-K190 PolarHBondContact OD1-NZ 2.77Å; D162-K190 IonicContact OD2-NZ 3.75Å; D162-K190 PolarHBondContact OD2-NZ 3.24Å; I163-K190 WeakPolarHBondContact O-CD 3.38Å; I163-K190 WeakPolarHBondContact O-CE 3.2Å; I163-K190 PolarHBondContact O-NZ 3.42Å; K190-D204 CarbonylContact C-O 3.46Å; K190-D204 VanDerWaalsContact CA-O 3.28Å; K190-D204 WeakPolarHBondContact CA-O 3.03Å
191N93.9Very high91.9Very high41 Ų4165 Ų6522%0.21938%0.384CS..EExtended strand (participates in β ladder)trans-121.4169.6164.7-30.7-86.6000109.6K189 V193 P203 D204 T206K189-N191 WeakPolarHBondContact CD-OD1 3.48Å; K189-N191 VanDerWaalsContact CE-OD1 3.3Å; K189-N191 WeakPolarHBondContact CE-OD1 3.15Å; K189-N191 PolarHBondContact NZ-OD1 2.82Å; N191-V193 HydrophobicContact CB-CG2 4.38Å; N191-P203 WeakPolarHBondContact O-CA 3.36Å; N191-D204 VanDerWaalsContact CB-OD1 3.3Å; N191-D204 WeakPolarHBondContact CB-OD1 3.23Å; N191-D204 PolarHBondContact N-O 2.95Å; N191-D204 PolarHBondContact ND2-OD2 3.27Å; N191-D204 PolarHBondContact O-N 3.07Å; N191-T206 PolarHBondContact ND2-OG1 3.28Å
192I93.5Very high92Very high121 Ų12166.5 Ų66.562%0.62139%0.39SS*.EExtended strand (participates in β ladder)trans-132.3109.8176.7-61.2177.4000104.7P201I192-P201 HydrophobicContact CG2-CB 3.61Å; I192-P201 HydrophobicContact CG2-CG 4.4Å
193V90.6Very high92Very high52 Ų5263.9 Ų63.932%0.31538%0.378SS..EExtended strand (participates in β ladder)trans-116.3128.1-171.3179.40000109.3N191 Y195 Y202 D204N191-V193 HydrophobicContact CB-CG2 4.38Å; V193-Y195 HydrophobicContact CB-CE2 4.33Å; V193-Y195 HydrophobicContact CG1-CD1 4.18Å; V193-Y195 HydrophobicContact CG1-CD2 4.5Å; V193-Y195 HydrophobicContact CG1-CE1 3.88Å; V193-Y195 HydrophobicContact CG1-CE2 4.22Å; V193-Y195 HydrophobicContact CG1-CG 4.47Å; V193-Y202 PolarHBondContact N-O 3.1Å; V193-Y202 PolarHBondContact O-N 3.05Å; V193-D204 WeakPolarHBondContact CG2-OD1 3.41Å
194Q91.8Very high92Very high136 Ų13662.4 Ų62.464%0.63637%0.369SS*.EExtended strand (participates in β ladder)trans-92.9113.9169.3-166.8179.51800108.2A199Q194-A199 PolarHBondContact NE2-O 3.04Å
195Y87.6Confident92.1Very high79 Ų7957.4 Ų57.431%0.3134%0.343SS..  trans-84.2142.6179.4-68.5-74.4000111Y98 V193 C197 C198 Y202Y98-Y195 WeakPolarHBondContact CD2-OH 3.37Å; Y98-Y195 HydrophobicContact CE2-CE2 4.35Å; Y98-Y195 WeakPolarHBondContact CE2-OH 3.38Å; V193-Y195 HydrophobicContact CB-CE2 4.33Å; V193-Y195 HydrophobicContact CG1-CD1 4.18Å; V193-Y195 HydrophobicContact CG1-CD2 4.5Å; V193-Y195 HydrophobicContact CG1-CE1 3.88Å; V193-Y195 HydrophobicContact CG1-CE2 4.22Å; V193-Y195 HydrophobicContact CG1-CG 4.47Å; Y195-C197 PolarHBondContact O-N 3.02Å; Y195-C198 PolarHBondContact O-N 3.3Å; Y195-Y202 HydrophobicContact CD2-CD2 4.01Å; Y195-Y202 HydrophobicContact CD2-CG 4.13Å; Y195-Y202 HydrophobicContact CE2-CG 4.29Å
196G87.3Confident92.2Very high98 Ų9857.3 Ų57.3100%1.0134%0.34SS*.THydrogen-bonded Turntrans-62.8-9.5-177.500000115.8
197C85.2Confident92.2Very high112 Ų11257.4 Ų57.476%0.75734%0.34SS*.THydrogen-bonded Turntrans-86.7-18.3173.751.50000114.3Y195Y195-C197 PolarHBondContact O-N 3.02Å
198C85.3Confident92.2Very high47 Ų4756.1 Ų56.132%0.31833%0.331SS..  trans-133.1144.8-168.3-65.30000111.8Y195 Y202Y195-C198 PolarHBondContact O-N 3.3Å; C198-Y202 HydrophobicContact CB-CE2 3.77Å
199A85.4Confident92.2Very high85 Ų8555.4 Ų55.470%0.70233%0.326SS*.SBendtrans-74.8-33.2176.500000112.5Q194Q194-A199 PolarHBondContact NE2-O 3.04Å
200D90.1Very high92.2Very high65 Ų6553.1 Ų53.135%0.34832%0.316SS..SBendtrans-84150.2-177.8-62.2-56.8000112.9N157 Y202N157-D200 HydrophobicContact CB-CB 3.89Å; N157-D200 VanDerWaalsContact ND2-CG 3.28Å; N157-D200 PolarHBondContact ND2-OD2 3.49Å; D200-Y202 WeakPolarHBondContact O-CD2 3.45Å
201P92.9Very high92.2Very high49 Ų4950.6 Ų50.632%0.31831%0.305SS..EExtended strand (participates in β ladder)trans-75.8146.217031.9-34.1000112.2G158 I192G158-P201 PolarHBondContact N-O 3.02Å; I192-P201 HydrophobicContact CG2-CB 3.61Å; I192-P201 HydrophobicContact CG2-CG 4.4Å
202Y93.3Very high92.2Very high36 Ų3653.3 Ų53.314%0.14132%0.315CS..EExtended strand (participates in β ladder)trans-112.5127175-75.4-103.9000109.4Y156 N157 V193 Y195 C198 D200Y156-Y202 WeakPolarHBondContact O-CD1 3.38Å; Y156-Y202 VanDerWaalsContact O-CE1 3.3Å; Y156-Y202 WeakPolarHBondContact O-CE1 3.4Å; N157-Y202 HydrophobicContact CB-CE1 4.25Å; N157-Y202 HydrophobicContact CB-CE2 4.24Å; V193-Y202 PolarHBondContact N-O 3.1Å; V193-Y202 PolarHBondContact O-N 3.05Å; Y195-Y202 HydrophobicContact CD2-CD2 4.01Å; Y195-Y202 HydrophobicContact CD2-CG 4.13Å; Y195-Y202 HydrophobicContact CE2-CG 4.29Å; C198-Y202 HydrophobicContact CB-CE2 3.77Å; D200-Y202 WeakPolarHBondContact O-CD2 3.45Å
203P94.5Very high92.1Very high8 Ų848 Ų485%0.05229%0.287CS..EExtended strand (participates in β ladder)trans-84.4132.5175.433.7-32.6000110.5I163 N191I163-P203 HydrophobicContact CG2-CB 3.93Å; I163-P203 HydrophobicContact CG2-CG 4.2Å; I163-P203 VanDerWaalsContact CG2-O 3.3Å; I163-P203 WeakPolarHBondContact CG2-O 3.47Å; N191-P203 WeakPolarHBondContact O-CA 3.36Å
204D94.8Very high92.2Very high4 Ų449.9 Ų49.92%0.02129%0.288CS..EExtended strand (participates in β ladder)trans-125.9155.1176.373.8-77.2000111.1Y98 T150 Y151 K190 N191 V193 T206Y98-D204 HydrophobicContact CE2-CB 4.23Å; T150-D204 HydrophobicContact CG2-CB 4.04Å; Y151-D204 CarbonylContact O-C 3.6Å; Y151-D204 WeakPolarHBondContact O-CA 3.37Å; K190-D204 CarbonylContact C-O 3.46Å; K190-D204 VanDerWaalsContact CA-O 3.28Å; K190-D204 WeakPolarHBondContact CA-O 3.03Å; N191-D204 VanDerWaalsContact CB-OD1 3.3Å; N191-D204 WeakPolarHBondContact CB-OD1 3.23Å; N191-D204 PolarHBondContact N-O 2.95Å; N191-D204 PolarHBondContact ND2-OD2 3.27Å; N191-D204 PolarHBondContact O-N 3.07Å; V193-D204 WeakPolarHBondContact CG2-OD1 3.41Å; D204-T206 PolarHBondContact OD2-OG1 3.49Å
205V95.7Very high92Very high0 Ų044 Ų440%026%0.262CS..EExtended strand (participates in β ladder)trans-115.5113166.9-177.30000108.8L38 Y151 I163 N165 A188 Y207L38-V205 HydrophobicContact CD2-CB 4.37Å; Y151-V205 PolarHBondContact N-O 3.29Å; Y151-V205 PolarHBondContact O-N 2.84Å; I163-V205 HydrophobicContact CB-CG2 4.43Å; I163-V205 HydrophobicContact CD1-CB 4.43Å; I163-V205 HydrophobicContact CD1-CG2 3.98Å; I163-V205 HydrophobicContact CG1-CG2 3.83Å; I163-V205 HydrophobicContact CG2-CG2 3.94Å; N165-V205 HydrophobicContact CB-CG1 4.34Å; A188-V205 HydrophobicContact CB-CG1 4.45Å; V205-Y207 HydrophobicContact CB-CE2 4.36Å; V205-Y207 HydrophobicContact CG1-CD2 4.06Å; V205-Y207 HydrophobicContact CG1-CE2 3.53Å
206T96Very high92Very high13 Ų1343.7 Ų43.78%0.0827%0.272CS..EExtended strand (participates in β ladder)trans-95.1116174.2-650000110.1R148 F149 T150 K189 N191 D204R148-T206 HydrophobicContact CB-CG2 3.99Å; R148-T206 HydrophobicContact CG-CG2 4Å; F149-T206 WeakPolarHBondContact O-CA 3.44Å; T150-T206 PolarHBondContact OG1-OG1 2.86Å; K189-T206 PolarHBondContact N-O 3.06Å; K189-T206 PolarHBondContact O-N 3.44Å; N191-T206 PolarHBondContact ND2-OG1 3.28Å; D204-T206 PolarHBondContact OD2-OG1 3.49Å
207Y96.1Very high92.1Very high3 Ų345.2 Ų45.21%0.01225%0.251CS..EExtended strand (participates in β ladder)trans-90.9126.9166.3-65.5-97.4000109.4L38 V40 R148 F149 Y151 A170 M186 P187 A188 V205L38-Y207 HydrophobicContact CD2-CE2 3.85Å; L38-Y207 HydrophobicContact CG-CE2 4.46Å; L38-Y207 PolarHBondContact O-OH 3.42Å; V40-Y207 HydrophobicContact CB-CD1 4.34Å; V40-Y207 HydrophobicContact CB-CE1 3.9Å; V40-Y207 HydrophobicContact CB-CE2 4.1Å; V40-Y207 HydrophobicContact CG2-CD2 4.09Å; V40-Y207 HydrophobicContact CG2-CE1 4.23Å; V40-Y207 HydrophobicContact CG2-CE2 3.51Å; R148-Y207 CarbonylContact C-O 3.54Å; R148-Y207 WeakPolarHBondContact CA-O 3.18Å; F149-Y207 PolarHBondContact N-O 3.49Å; F149-Y207 PolarHBondContact O-N 2.82Å; Y151-Y207 HydrophobicContact CD2-CD2 4.02Å; Y151-Y207 HydrophobicContact CD2-CE2 4.23Å; Y151-Y207 HydrophobicContact CE2-CD2 4.35Å; A170-Y207 HydrophobicContact CB-CD1 3.9Å; A170-Y207 HydrophobicContact CB-CE1 4.14Å; M186-Y207 VanDerWaalsContact CE-CB 3.45Å; M186-Y207 HydrophobicContact CE-CD1 4.33Å; M186-Y207 HydrophobicContact CE-CG 4.05Å; P187-Y207 WeakPolarHBondContact O-CA 3.42Å; A188-Y207 HydrophobicContact CB-CD1 3.59Å; A188-Y207 HydrophobicContact CB-CE1 3.4Å; A188-Y207 VanDerWaalsContact CB-CE1 3.4Å; A188-Y207 HydrophobicContact CB-CG 4.35Å; V205-Y207 HydrophobicContact CB-CE2 4.36Å; V205-Y207 HydrophobicContact CG1-CD2 4.06Å; V205-Y207 HydrophobicContact CG1-CE2 3.53Å
208T96.1Very high92.2Very high25 Ų2541.4 Ų41.415%0.15322%0.221CC..EExtended strand (participates in β ladder)trans-10899.4-179.5-55.60000110.4Q146 C147 R148 M186 P187 K210Q146-T208 HydrophobicContact CB-CG2 4.42Å; C147-T208 CarbonylContact O-C 3.54Å; C147-T208 WeakPolarHBondContact O-CA 3.45Å; R148-T208 HydrophobicContact CG-CG2 4.39Å; M186-T208 WeakPolarHBondContact CA-O 3.31Å; P187-T208 VanDerWaalsContact CD-O 3.27Å; P187-T208 WeakPolarHBondContact CD-O 3.49Å; P187-T208 PolarHBondContact O-N 2.91Å; T208-K210 PolarHBondContact O-N 3.21Å
209L95.8Very high92.3Very high0 Ų040.4 Ų40.40%021%0.214CC..EExtended strand (participates in β ladder)trans-74.5119.3176.1-176.761.9000110.3L42 I45 L55 Q146 C147 F149 V183 M186 L211L42-L209 HydrophobicContact CD2-CD1 3.67Å; L42-L209 HydrophobicContact CD2-CD2 4.35Å; I45-L209 HydrophobicContact CD1-CD2 4.32Å; I45-L209 HydrophobicContact CG1-CD2 4.44Å; L55-L209 HydrophobicContact CD2-CD2 3.82Å; Q146-L209 WeakPolarHBondContact CA-O 3.46Å; C147-L209 PolarHBondContact N-O 3.43Å; C147-L209 PolarHBondContact O-N 3.16Å; F149-L209 HydrophobicContact CE2-CB 4.15Å; F149-L209 HydrophobicContact CE2-CD2 4.21Å; V183-L209 HydrophobicContact CG1-CD1 3.85Å; M186-L209 HydrophobicContact CB-CD1 3.95Å; M186-L209 HydrophobicContact CG-CB 4.29Å; M186-L209 HydrophobicContact CG-CD1 4.25Å; M186-L209 HydrophobicContact SD-CB 4.33Å; M186-L209 HydrophobicContact SD-CD1 4.04Å; L209-L211 HydrophobicContact CD1-CD2 4.1Å; L209-L211 HydrophobicContact CD2-CD1 4.17Å; L209-L211 HydrophobicContact CD2-CD2 3.86Å; L209-L211 HydrophobicContact CD2-CG 4.17Å; L209-L211 HydrophobicContact CG-CD1 4.44Å; L209-L211 HydrophobicContact CG-CD2 3.72Å; L209-L211 HydrophobicContact CG-CG 3.96Å
210K95.4Very high92.5Very high86 Ų8642.8 Ų42.837%0.37421%0.208SC..EExtended strand (participates in β ladder)trans-99.6119.7177.3-61.4178.9-179.7176.70109.7Q146 L184 G185 T208Q146-K210 HydrophobicContact CG-CG 4.39Å; L184-K210 HydrophobicContact CB-CB 4.03Å; L184-K210 PolarHBondContact N-O 3.47Å; G185-K210 WeakPolarHBondContact O-CB 3.21Å; G185-K210 PolarHBondContact O-N 3.25Å; T208-K210 PolarHBondContact O-N 3.21Å
211L94.7Very high92.3Very high3 Ų343.6 Ų43.62%0.01621%0.213CC..EExtended strand (participates in β ladder)trans-120.6149.9-175.7-58.5177.3000110.8I45 M48 G144 Q145 W181 E182 V183 L209I45-L211 HydrophobicContact CD1-CD1 4.42Å; I45-L211 HydrophobicContact CD1-CD2 3.44Å; I45-L211 VanDerWaalsContact CD1-CD2 3.44Å; M48-L211 HydrophobicContact CE-CD1 3.37Å; G144-L211 CarbonylContact C-O 3.56Å; G144-L211 WeakPolarHBondContact CA-O 3.24Å; Q145-L211 HydrophobicContact CB-CB 4.41Å; Q145-L211 PolarHBondContact N-O 2.92Å; Q145-L211 PolarHBondContact O-N 2.75Å; W181-L211 HydrophobicContact CD2-CB 4.48Å; W181-L211 HydrophobicContact CE3-CB 3.69Å; W181-L211 HydrophobicContact CE3-CD1 4.47Å; W181-L211 HydrophobicContact CZ3-CB 4.12Å; E182-L211 CarbonylContact O-C 3.54Å; E182-L211 WeakPolarHBondContact O-CA 3.44Å; V183-L211 HydrophobicContact CG2-CD2 3.92Å; L209-L211 HydrophobicContact CD1-CD2 4.1Å; L209-L211 HydrophobicContact CD2-CD1 4.17Å; L209-L211 HydrophobicContact CD2-CD2 3.86Å; L209-L211 HydrophobicContact CD2-CG 4.17Å; L209-L211 HydrophobicContact CG-CD1 4.44Å; L209-L211 HydrophobicContact CG-CD2 3.72Å; L209-L211 HydrophobicContact CG-CG 3.96Å
212K93.6Very high92Very high97 Ų9742 Ų4242%0.42220%0.202SC..EExtended strand (participates in β ladder)trans-134.5130.3173.7171.6176.2161.6-126.60109.3E182 L184E182-K212 HydrophobicContact CB-CB 4.33Å; E182-K212 PolarHBondContact N-O 3.13Å; E182-K212 PolarHBondContact O-N 3.26Å; E182-K212 WeakPolarHBondContact OE2-CD 3.34Å; E182-K212 WeakPolarHBondContact OE2-CE 3.47Å; E182-K212 IonicContact OE2-NZ 3.24Å; E182-K212 PolarHBondContact OE2-NZ 3.48Å; L184-K212 HydrophobicContact CD1-CB 4.08Å; L184-K212 HydrophobicContact CD2-CB 4.44Å; L184-K212 HydrophobicContact CD2-CD 4.48Å; L184-K212 HydrophobicContact CG-CB 4.22Å
213R92.3Very high91.6Very high9 Ų940.7 Ų40.73%0.03420%0.197CC..EExtended strand (participates in β ladder)trans-76.2138.2-177-162.5-175.4-59.3-97.61.5111.4E50 D143 E180 W181 A215 Y218E50-R213 IonicContact OE1-CZ 3.27Å; E50-R213 IonicContact OE1-NH1 2.93Å; E50-R213 PolarHBondContact OE1-NH1 3.25Å; E50-R213 IonicContact OE1-NH2 2.74Å; E50-R213 PolarHBondContact OE1-NH2 3Å; D143-R213 PolarHBondContact O-N 3Å; D143-R213 IonicContact OD1-CZ 2.71Å; D143-R213 IonicContact OD1-NE 2.8Å; D143-R213 PolarHBondContact OD1-NE 2.93Å; D143-R213 IonicContact OD1-NH2 3.71Å; D143-R213 IonicContact OD2-CZ 3.6Å; D143-R213 IonicContact OD2-NE 2.73Å; D143-R213 PolarHBondContact OD2-NE 3.29Å; D143-R213 IonicContact OD2-NH2 3.36Å; D143-R213 PolarHBondContact OD2-NH2 2.83Å; E180-R213 HydrophobicContact CG-CG 4.41Å; E180-R213 IonicContact OE1-CZ 3.83Å; E180-R213 IonicContact OE1-NH1 3.52Å; E180-R213 PolarHBondContact OE1-NH1 3.01Å; W181-R213 HydrophobicContact CE3-CB 4.17Å; W181-R213 HydrophobicContact CH2-CB 4.13Å; W181-R213 HydrophobicContact CH2-CG 4.38Å; W181-R213 VanDerWaalsContact CZ2-CZ 3.42Å; W181-R213 HydrophobicContact CZ3-CB 3.79Å; W181-R213 HydrophobicContact CZ3-CG 4.39Å; R213-A215 PolarHBondContact O-N 3.3Å; R213-Y218 HydrophobicContact CG-CE2 4.31Å; R213-Y218 PolarHBondContact NH1-OH 3.39Å
214R91.6Very high91.2Very high93 Ų9343.7 Ų43.735%0.35121%0.212SC..  trans-82.785.2169-62.8-176.2-174-87.416.8108.9E177 N178 V179 E180 S216E177-R214 IonicContact OE2-NH2 2.83Å; E177-R214 PolarHBondContact OE2-NH2 3.14Å; N178-R214 PolarHBondContact O-NE 2.84Å; V179-R214 WeakPolarHBondContact O-CD 3.41Å; E180-R214 WeakPolarHBondContact O-CB 3.5Å; E180-R214 WeakPolarHBondContact O-CG 3.36Å; E180-R214 PolarHBondContact O-N 3.33Å; R214-S216 PolarHBondContact O-N 3.41Å
215A88.9Confident91Very high11 Ų1145.4 Ų45.49%0.09122%0.223CC..THydrogen-bonded Turntrans-58.8-14.8-17200000116.8P141 F142 R213 F217 Y218 V219P141-A215 HydrophobicContact CB-CB 4.24Å; P141-A215 HydrophobicContact CG-CB 4.16Å; P141-A215 VanDerWaalsContact O-CB 3.29Å; P141-A215 WeakPolarHBondContact O-CB 3.5Å; F142-A215 HydrophobicContact CD1-CB 3.55Å; F142-A215 HydrophobicContact CE1-CB 3.4Å; F142-A215 HydrophobicContact CE2-CB 4.42Å; F142-A215 HydrophobicContact CG-CB 4.16Å; F142-A215 HydrophobicContact CZ-CB 3.87Å; R213-A215 PolarHBondContact O-N 3.3Å; A215-F217 PolarHBondContact O-N 3.36Å; A215-Y218 PolarHBondContact O-N 3.43Å; A215-Y218 VanDerWaalsContact O-N 3.13Å; A215-V219 HydrophobicContact CB-CG2 4.49Å; A215-V219 WeakPolarHBondContact O-CG2 3.18Å; A215-V219 PolarHBondContact O-N 3.29Å
216S87.6Confident90.6Very high74 Ų7445.4 Ų45.452%0.51722%0.223SC..Hα-helixtrans-55.6-44.7-168.551.60000113.9R214 Y218 V219 F220R214-S216 PolarHBondContact O-N 3.41Å; S216-Y218 VanDerWaalsContact C-N 3.34Å; S216-Y218 PolarHBondContact O-N 3.44Å; S216-V219 PolarHBondContact O-N 3.01Å; S216-F220 WeakPolarHBondContact O-CD2 3.46Å; S216-F220 PolarHBondContact O-N 3Å
217F88.8Confident90.2Very high130 Ų13045.7 Ų45.757%0.5723%0.225SC*.Hα-helixtrans-56.2-47.4177.8176.6-94.5000112A215 F220 N221A215-F217 PolarHBondContact O-N 3.36Å; F217-F220 PolarHBondContact O-N 3.01Å; F217-N221 VanDerWaalsContact CD2-ND2 3.27Å; F217-N221 WeakPolarHBondContact CD2-ND2 3.11Å; F217-N221 WeakPolarHBondContact CE2-ND2 3.46Å; F217-N221 WeakPolarHBondContact CZ-ND2 3.5Å; F217-N221 WeakPolarHBondContact O-CB 3.18Å; F217-N221 PolarHBondContact O-N 3.14Å; F217-N221 PolarHBondContact O-ND2 3.36Å
218Y88Confident89.9Confident32 Ų3250.8 Ų50.813%0.12525%0.25CC..Hα-helixtrans-69.7-34.3179.9-56.2-83.9000112.3F140 P141 E180 R213 A215 S216 L222 L223F140-Y218 HydrophobicContact CE1-CD1 4.24Å; F140-Y218 HydrophobicContact CE2-CD1 4.48Å; F140-Y218 HydrophobicContact CE2-CE1 4.28Å; F140-Y218 AromaticContact CZ-CD1 3.59Å; F140-Y218 HydrophobicContact CZ-CD1 3.59Å; F140-Y218 AromaticContact CZ-CE1 3.7Å; F140-Y218 HydrophobicContact CZ-CE1 3.7Å; F140-Y218 HydrophobicContact CZ-CG 4.13Å; P141-Y218 HydrophobicContact CB-CD2 3.95Å; P141-Y218 HydrophobicContact CB-CG 3.87Å; E180-Y218 HydrophobicContact CG-CE2 4.47Å; E180-Y218 PolarHBondContact OE1-OH 3.41Å; R213-Y218 HydrophobicContact CG-CE2 4.31Å; R213-Y218 PolarHBondContact NH1-OH 3.39Å; A215-Y218 PolarHBondContact O-N 3.43Å; A215-Y218 VanDerWaalsContact O-N 3.13Å; S216-Y218 VanDerWaalsContact C-N 3.34Å; S216-Y218 PolarHBondContact O-N 3.44Å; Y218-L222 HydrophobicContact CD1-CD1 3.81Å; Y218-L222 WeakPolarHBondContact O-CA 3.36Å; Y218-L222 WeakPolarHBondContact O-CB 3.35Å; Y218-L222 PolarHBondContact O-N 3.35Å; Y218-L223 PolarHBondContact O-N 3.46Å; Y218-L223 VanDerWaalsContact O-N 3.14Å
219V87.6Confident89.6Confident26 Ų2650.7 Ų50.716%0.15825%0.248CC..Iπ-helixtrans-62.5-48.1174.4173.60000111.1F142 A215 S216 L223 I224F142-V219 HydrophobicContact CE1-CG2 4.36Å; F142-V219 HydrophobicContact CE2-CG2 4.26Å; F142-V219 HydrophobicContact CZ-CG2 3.55Å; A215-V219 HydrophobicContact CB-CG2 4.49Å; A215-V219 WeakPolarHBondContact O-CG2 3.18Å; A215-V219 PolarHBondContact O-N 3.29Å; S216-V219 PolarHBondContact O-N 3.01Å; V219-L223 PolarHBondContact O-N 3.46Å; V219-I224 HydrophobicContact CG1-CD1 4.48Å; V219-I224 PolarHBondContact O-N 2.59Å
220F88Confident89.2Confident135 Ų13550.9 Ų50.959%0.59225%0.249SC*.Iπ-helixtrans-72.1-39.1-179.2-72.1-67.1000113.5S216 F217 I224 P225S216-F220 WeakPolarHBondContact O-CD2 3.46Å; S216-F220 PolarHBondContact O-N 3Å; F217-F220 PolarHBondContact O-N 3.01Å; F220-I224 HydrophobicContact CD1-CD1 3.67Å; F220-I224 HydrophobicContact CE1-CD1 4.01Å; F220-P225 WeakPolarHBondContact O-CD 3.33Å
221N86.9Confident88.9Confident82 Ų8249.2 Ų49.244%0.43924%0.242SC..Iπ-helixtrans-96.8-21.2-171-65.7-34.1000115.1F217F217-N221 VanDerWaalsContact CD2-ND2 3.27Å; F217-N221 WeakPolarHBondContact CD2-ND2 3.11Å; F217-N221 WeakPolarHBondContact CE2-ND2 3.46Å; F217-N221 WeakPolarHBondContact CZ-ND2 3.5Å; F217-N221 WeakPolarHBondContact O-CB 3.18Å; F217-N221 PolarHBondContact O-N 3.14Å; F217-N221 PolarHBondContact O-ND2 3.36Å
222L85.6Confident88.6Confident16 Ų1652.7 Ų52.78%0.08426%0.26CS..Iπ-helixtrans-114-51.2178-56.9175.5000112.1Y218 C226 L263 V264 I267Y218-L222 HydrophobicContact CD1-CD1 3.81Å; Y218-L222 WeakPolarHBondContact O-CA 3.36Å; Y218-L222 WeakPolarHBondContact O-CB 3.35Å; Y218-L222 PolarHBondContact O-N 3.35Å; L222-C226 WeakPolarHBondContact O-CB 3.35Å; L222-C226 PolarHBondContact O-N 3.37Å; L222-L263 HydrophobicContact CD2-CD2 3.98Å; L222-V264 HydrophobicContact CD1-CG2 4.06Å; L222-V264 HydrophobicContact CD2-CG2 4.06Å; L222-I267 HydrophobicContact CD1-CD1 4.18Å
223L85.5Confident88.3Confident7 Ų748.7 Ų48.74%0.03725%0.246CC..Iπ-helixtrans-73.9-50.6-169.6-164.1153000112.1Y218 V219 C226 V227 I502 M503Y218-L223 PolarHBondContact O-N 3.46Å; Y218-L223 VanDerWaalsContact O-N 3.14Å; V219-L223 PolarHBondContact O-N 3.46Å; L223-C226 PolarHBondContact O-N 2.74Å; L223-V227 HydrophobicContact CD2-CG2 3.82Å; L223-V227 WeakPolarHBondContact O-CG2 3.27Å; L223-V227 PolarHBondContact O-N 3.1Å; L223-I502 HydrophobicContact CD1-CG2 4.41Å; L223-M503 HydrophobicContact CD1-SD 4.43Å; L223-M503 HydrophobicContact CD2-SD 3.54Å; L223-M503 VanDerWaalsContact CD2-SD 3.54Å
224I87.3Confident88Confident72 Ų7248.5 Ų48.537%0.36925%0.245SC..Hα-helixtrans-59.2-49-179.8-73.8172.7000112.2V219 F220 C226 V227 M228V219-I224 HydrophobicContact CG1-CD1 4.48Å; V219-I224 PolarHBondContact O-N 2.59Å; F220-I224 HydrophobicContact CD1-CD1 3.67Å; F220-I224 HydrophobicContact CE1-CD1 4.01Å; I224-C226 VanDerWaalsContact C-N 3.34Å; I224-C226 PolarHBondContact O-N 3.36Å; I224-V227 PolarHBondContact O-N 3.4Å; I224-M228 HydrophobicContact CG2-CG 4.43Å; I224-M228 WeakPolarHBondContact O-CG 3.46Å; I224-M228 PolarHBondContact O-N 3.08Å
225P89.6Confident87.8Confident39 Ų3948.7 Ų48.725%0.25325%0.253SS..Hα-helixtrans-58.6-41.7175.7-27.536.8000113.1F220 V227 M228 I229 F260F220-P225 WeakPolarHBondContact O-CD 3.33Å; P225-V227 PolarHBondContact O-N 3.43Å; P225-M228 PolarHBondContact O-N 3.21Å; P225-I229 WeakPolarHBondContact O-CB 3.39Å; P225-I229 VanDerWaalsContact O-CG1 3.27Å; P225-I229 WeakPolarHBondContact O-CG1 3.5Å; P225-I229 PolarHBondContact O-N 2.92Å; P225-F260 HydrophobicContact CB-CE1 4.21Å; P225-F260 HydrophobicContact CB-CZ 3.99Å
226C87.2Confident87.6Confident0 Ų048.4 Ų48.40%025%0.251CS..Hα-helixtrans-64.4-40.2177.8-174.90000112.7L222 L223 I224 I229 S230 L257 Y280 Y281L222-C226 WeakPolarHBondContact O-CB 3.35Å; L222-C226 PolarHBondContact O-N 3.37Å; L223-C226 PolarHBondContact O-N 2.74Å; I224-C226 VanDerWaalsContact C-N 3.34Å; I224-C226 PolarHBondContact O-N 3.36Å; C226-I229 PolarHBondContact O-N 3.17Å; C226-S230 WeakPolarHBondContact O-CB 3.1Å; C226-S230 PolarHBondContact O-N 3.25Å; C226-S230 PolarHBondContact O-OG 3.14Å; C226-L257 VanDerWaalsContact SG-CD1 3.56Å; C226-Y280 HydrophobicContact CB-CE1 4.16Å; C226-Y280 WeakPolarHBondContact SG-CE1 3.43Å; C226-Y281 HydrophobicContact CB-CE1 4.07Å; C226-Y281 WeakPolarHBondContact SG-CE1 3.36Å
227V87.7Confident87.6Confident20 Ų2045.2 Ų45.212%0.12123%0.228CC..Hα-helixtrans-64.6-45.3174.9171.20000110.4L223 I224 P225 I229 S230 F231 Y280L223-V227 HydrophobicContact CD2-CG2 3.82Å; L223-V227 WeakPolarHBondContact O-CG2 3.27Å; L223-V227 PolarHBondContact O-N 3.1Å; I224-V227 PolarHBondContact O-N 3.4Å; P225-V227 PolarHBondContact O-N 3.43Å; V227-I229 PolarHBondContact O-N 3.05Å; V227-S230 WeakPolarHBondContact O-CB 3.37Å; V227-S230 PolarHBondContact O-N 3.32Å; V227-F231 HydrophobicContact CG1-CD2 3.87Å; V227-F231 HydrophobicContact CG1-CE2 3.55Å; V227-F231 WeakPolarHBondContact O-CD2 3.22Å; V227-F231 PolarHBondContact O-N 3.32Å; V227-F231 VanDerWaalsContact O-N 3.1Å; V227-Y280 WeakPolarHBondContact CG2-OH 3.49Å
228M89.1Confident87.4Confident110 Ų11046.1 Ų46.154%0.54223%0.229SC..Hα-helixtrans-59.1-46.6175.8-67.8-63.2101.300112.2I224 P225 S230 F231 L232I224-M228 HydrophobicContact CG2-CG 4.43Å; I224-M228 WeakPolarHBondContact O-CG 3.46Å; I224-M228 PolarHBondContact O-N 3.08Å; P225-M228 PolarHBondContact O-N 3.21Å; M228-S230 VanDerWaalsContact C-N 3.31Å; M228-S230 PolarHBondContact O-N 2.96Å; M228-F231 HydrophobicContact CE-CD2 4.41Å; M228-F231 PolarHBondContact O-N 2.99Å; M228-L232 PolarHBondContact O-N 3.24Å
229I90Very high87.4Confident23 Ų2347.4 Ų47.412%0.11824%0.237CC..Hα-helixtrans-62.7-38.7176.8-68.6165.2000111.1P225 C226 V227 F231 L232 V253 A256 F260P225-I229 WeakPolarHBondContact O-CB 3.39Å; P225-I229 VanDerWaalsContact O-CG1 3.27Å; P225-I229 WeakPolarHBondContact O-CG1 3.5Å; P225-I229 PolarHBondContact O-N 2.92Å; C226-I229 PolarHBondContact O-N 3.17Å; V227-I229 PolarHBondContact O-N 3.05Å; I229-F231 VanDerWaalsContact C-N 3.28Å; I229-F231 PolarHBondContact O-N 3.39Å; I229-L232 WeakPolarHBondContact O-CB 3.49Å; I229-L232 PolarHBondContact O-N 3.26Å; I229-V253 HydrophobicContact CG2-CG1 3.97Å; I229-A256 HydrophobicContact CD1-CB 4.43Å; I229-F260 HydrophobicContact CD1-CD2 3.75Å; I229-F260 HydrophobicContact CD1-CE2 3.45Å; I229-F260 VanDerWaalsContact CD1-CE2 3.45Å; I229-F260 HydrophobicContact CD1-CZ 4.42Å
230S88Confident87.2Confident3 Ų349.6 Ų49.62%0.02125%0.252CS..Hα-helixtrans-62.3-34.3176.3-59.20000112.3C226 V227 M228 L232 A233 P234 Y280C226-S230 WeakPolarHBondContact O-CB 3.1Å; C226-S230 PolarHBondContact O-N 3.25Å; C226-S230 PolarHBondContact O-OG 3.14Å; V227-S230 WeakPolarHBondContact O-CB 3.37Å; V227-S230 PolarHBondContact O-N 3.32Å; M228-S230 VanDerWaalsContact C-N 3.31Å; M228-S230 PolarHBondContact O-N 2.96Å; S230-L232 VanDerWaalsContact C-N 3.33Å; S230-A233 PolarHBondContact O-N 3.06Å; S230-P234 WeakPolarHBondContact O-CD 3.24Å; S230-Y280 PolarHBondContact OG-OH 3.4Å
231F89.1Confident86.8Confident51 Ų5143.5 Ų43.522%0.22423%0.227CC..Hα-helixtrans-74-16.9173.8-77.2-65.9000114.2V227 M228 I229 A233 P234 F492 V495V227-F231 HydrophobicContact CG1-CD2 3.87Å; V227-F231 HydrophobicContact CG1-CE2 3.55Å; V227-F231 WeakPolarHBondContact O-CD2 3.22Å; V227-F231 PolarHBondContact O-N 3.32Å; V227-F231 VanDerWaalsContact O-N 3.1Å; M228-F231 HydrophobicContact CE-CD2 4.41Å; M228-F231 PolarHBondContact O-N 2.99Å; I229-F231 VanDerWaalsContact C-N 3.28Å; I229-F231 PolarHBondContact O-N 3.39Å; F231-A233 VanDerWaalsContact C-N 3.32Å; F231-P234 WeakPolarHBondContact O-CD 3.2Å; F231-F492 HydrophobicContact CD1-CD2 4.48Å; F231-F492 HydrophobicContact CD1-CE2 4.19Å; F231-F492 HydrophobicContact CE1-CE2 4.18Å; F231-V495 HydrophobicContact CD1-CG1 3.77Å; F231-V495 HydrophobicContact CE1-CG1 3.73Å; F231-V495 HydrophobicContact CE2-CG1 4.48Å; F231-V495 HydrophobicContact CG-CG1 4.17Å; F231-V495 HydrophobicContact CZ-CG1 4.1Å
232L89Confident86.5Confident76 Ų7644.4 Ų44.440%0.39823%0.231SC..Hα-helixtrans-71-26.7171.4-61.5177.4000112.5M228 I229 S230 L235 G236 V253M228-L232 PolarHBondContact O-N 3.24Å; I229-L232 WeakPolarHBondContact O-CB 3.49Å; I229-L232 PolarHBondContact O-N 3.26Å; S230-L232 VanDerWaalsContact C-N 3.33Å; L232-L235 HydrophobicContact CD2-CD1 4.17Å; L232-L235 WeakPolarHBondContact O-CB 3.46Å; L232-L235 PolarHBondContact O-N 2.8Å; L232-G236 PolarHBondContact O-N 2.74Å; L232-V253 HydrophobicContact CB-CG2 3.89Å; L232-V253 HydrophobicContact CD1-CG2 4.32Å
233A85.7Confident86.3Confident14 Ų1446.9 Ų46.912%0.11625%0.25CS..Hα-helixtrans-66.3-45.7-178.300000113.6S230 F231 L235 G236 V253 I288S230-A233 PolarHBondContact O-N 3.06Å; F231-A233 VanDerWaalsContact C-N 3.32Å; A233-L235 VanDerWaalsContact C-N 3.3Å; A233-L235 PolarHBondContact O-N 3.33Å; A233-G236 PolarHBondContact O-N 3.37Å; A233-V253 HydrophobicContact CB-CG1 4.35Å; A233-I288 HydrophobicContact CB-CD1 4.45Å; A233-I288 HydrophobicContact CB-CG1 3.9Å
234P87.3Confident86Confident4 Ų448.7 Ų48.73%0.02627%0.271CS..Hα-helixtrans-60.3-34.6169.7-25.934.3000114S230 F231 G236 F237 F491 F492 V495S230-P234 WeakPolarHBondContact O-CD 3.24Å; F231-P234 WeakPolarHBondContact O-CD 3.2Å; P234-G236 PolarHBondContact O-N 3.08Å; P234-F237 PolarHBondContact O-N 3.39Å; P234-F491 HydrophobicContact CG-CB 4.26Å; P234-F492 HydrophobicContact CB-CB 4.11Å; P234-F492 HydrophobicContact CB-CD2 4.43Å; P234-F492 HydrophobicContact CG-CB 4.38Å; P234-V495 HydrophobicContact CG-CG2 4.02Å
235L86.1Confident85.9Confident97 Ų9750.7 Ų50.751%0.50828%0.279SS..Hα-helixtrans-64-25177.7-70.4172000112.6L232 A233 F237 Y238L232-L235 HydrophobicContact CD2-CD1 4.17Å; L232-L235 WeakPolarHBondContact O-CB 3.46Å; L232-L235 PolarHBondContact O-N 2.8Å; A233-L235 VanDerWaalsContact C-N 3.3Å; A233-L235 PolarHBondContact O-N 3.33Å; L235-F237 PolarHBondContact O-N 2.92Å; L235-Y238 VanDerWaalsContact O-CB 3.29Å; L235-Y238 WeakPolarHBondContact O-CB 3.46Å; L235-Y238 PolarHBondContact O-N 3.31Å
236G85.8Confident85.8Confident6 Ų648.9 Ų48.96%0.06227%0.267CS..THydrogen-bonded Turntrans-60.1-26.5170.800000114.5L232 A233 P234 Y238 K246L232-G236 PolarHBondContact O-N 2.74Å; A233-G236 PolarHBondContact O-N 3.37Å; P234-G236 PolarHBondContact O-N 3.08Å; G236-Y238 VanDerWaalsContact C-N 3.33Å; G236-K246 VanDerWaalsContact O-CE 3.26Å; G236-K246 WeakPolarHBondContact O-CE 3.42Å; G236-K246 WeakPolarHBondContact O-CG 3.28Å
237F87.3Confident85.9Confident6 Ų651 Ų513%0.02628%0.279CS..THydrogen-bonded Turntrans-81.3-11.2172.6-64.4-79.7000113.5P234 L235 S291 T295 I298 F487 M488 F491P234-F237 PolarHBondContact O-N 3.39Å; L235-F237 PolarHBondContact O-N 2.92Å; F237-S291 WeakPolarHBondContact CE2-OG 3.35Å; F237-S291 WeakPolarHBondContact CZ-OG 3.39Å; F237-T295 HydrophobicContact CD1-CG2 3.82Å; F237-T295 HydrophobicContact CE1-CG2 3.41Å; F237-T295 VanDerWaalsContact CE1-CG2 3.41Å; F237-T295 HydrophobicContact CE2-CG2 4.49Å; F237-T295 HydrophobicContact CG-CG2 4.5Å; F237-T295 HydrophobicContact CZ-CG2 3.79Å; F237-I298 HydrophobicContact CD1-CD1 4.32Å; F237-I298 HydrophobicContact CE1-CD1 4.05Å; F237-F487 HydrophobicContact CD1-CB 3.99Å; F237-F487 HydrophobicContact CE1-CB 3.73Å; F237-F487 HydrophobicContact CE2-CB 4.46Å; F237-F487 HydrophobicContact CG-CB 4.48Å; F237-F487 HydrophobicContact CZ-CB 3.99Å; F237-M488 HydrophobicContact CB-CB 3.67Å; F237-M488 HydrophobicContact CB-CG 4.19Å; F237-M488 HydrophobicContact CG-CB 4.44Å; F237-F491 HydrophobicContact CD2-CD2 4.32Å; F237-F491 HydrophobicContact CE2-CB 4.45Å; F237-F491 AromaticContact CE2-CD2 3.38Å; F237-F491 HydrophobicContact CE2-CD2 3.38Å; F237-F491 AromaticContact CE2-CE2 3.88Å; F237-F491 HydrophobicContact CE2-CE2 3.88Å; F237-F491 HydrophobicContact CE2-CG 4.12Å; F237-F491 AromaticContact CZ-CD2 3.69Å; F237-F491 HydrophobicContact CZ-CD2 3.69Å; F237-F491 AromaticContact CZ-CE2 3.7Å; F237-F491 HydrophobicContact CZ-CE2 3.7Å
238Y85.4Confident86Confident149 Ų14952.7 Ų52.758%0.58429%0.292SS*.THydrogen-bonded Turntrans-81.7-27.6174-164.8-83.4000112L235 G236 M488L235-Y238 VanDerWaalsContact O-CB 3.29Å; L235-Y238 WeakPolarHBondContact O-CB 3.46Å; L235-Y238 PolarHBondContact O-N 3.31Å; G236-Y238 VanDerWaalsContact C-N 3.33Å; Y238-M488 HydrophobicContact CD2-SD 4.1Å
239L86.4Confident86Confident59 Ų5950 Ų5031%0.30928%0.279SS..SBendtrans-66.5130.6-179.5-12575.2000111.3E245L239-E245 HydrophobicContact CD2-CB 4.33Å
240P84.8Confident86Confident73 Ų7349.5 Ų49.547%0.47428%0.281SS..  trans-65139.2176.626.6-33.4000111.1D242 S243P240-D242 PolarHBondContact O-N 3Å; P240-S243 PolarHBondContact O-N 3.47Å; P240-S243 VanDerWaalsContact O-N 3.16Å
241A80.1Confident86.1Confident6 Ų653.4 Ų53.45%0.0530%0.304CS..G310 helixtrans-64.1-22.5-178.900000113.6S243 M299 H302A241-S243 PolarHBondContact O-N 3.32Å; A241-M299 HydrophobicContact CB-CE 4.23Å; A241-M299 HydrophobicContact CB-SD 3.88Å; A241-M299 WeakPolarHBondContact O-CE 3.34Å; A241-H302 HydrophobicContact CB-CB 4.23Å
242D79.8Confident86.3Confident101 Ų10154.5 Ų54.554%0.5432%0.315SS..G310 helixtrans-67.8-13.9176.6-52.6-72.8000113P240 H302 K477P240-D242 PolarHBondContact O-N 3Å; D242-H302 IonicContact OD1-CE1 2.64Å; D242-H302 PolarHBondContact OD1-CE1 2.78Å; D242-H302 VanDerWaalsContact OD1-CE1 3.27Å; D242-H302 IonicContact OD1-NE2 3.33Å; D242-K477 IonicContact OD1-NZ 2.64Å; D242-K477 PolarHBondContact OD1-NZ 2.7Å
243S80.9Confident86.4Confident69 Ų6951.2 Ų51.248%0.48330%0.298SS..G310 helixtrans-83.1-11.7-179.2-64.40000115.7P240 A241 E245P240-S243 PolarHBondContact O-N 3.47Å; P240-S243 VanDerWaalsContact O-N 3.16Å; A241-S243 PolarHBondContact O-N 3.32Å; S243-E245 PolarHBondContact O-N 3.06Å
244G79.6Confident86.6Confident45 Ų4552.4 Ų52.446%0.46430%0.302SS..SBendtrans72-43.5-178.300000115.8K246G244-K246 PolarHBondContact O-N 3.1Å
245E85.6Confident86.8Confident114 Ų11457.5 Ų57.553%0.53333%0.329SS..Hα-helixtrans-62.4-8.1-175.2-66.6-52.2136.700115.6L239 S243 V247 S248 L249L239-E245 HydrophobicContact CD2-CB 4.33Å; S243-E245 PolarHBondContact O-N 3.06Å; E245-V247 VanDerWaalsContact C-N 3.31Å; E245-V247 PolarHBondContact O-N 3.03Å; E245-S248 WeakPolarHBondContact O-CB 3.42Å; E245-S248 PolarHBondContact O-N 3.39Å; E245-S248 WeakPolarHBondContact OE2-CB 3.3Å; E245-S248 PolarHBondContact OE2-OG 3.1Å; E245-S248 VanDerWaalsContact OE2-OG 3.1Å; E245-L249 PolarHBondContact O-N 2.84Å
246K87.1Confident87.1Confident1 Ų154.6 Ų54.60%0.00432%0.319CS..Hα-helixtrans-56.8-40-179.8-174.8174.7-179-169.70113.7G236 G244 M299 D484G236-K246 VanDerWaalsContact O-CE 3.26Å; G236-K246 WeakPolarHBondContact O-CE 3.42Å; G236-K246 WeakPolarHBondContact O-CG 3.28Å; G244-K246 PolarHBondContact O-N 3.1Å; K246-M299 HydrophobicContact CB-CE 4.23Å; K246-D484 IonicContact NZ-OD1 2.76Å; K246-D484 PolarHBondContact NZ-OD1 3.12Å; K246-D484 IonicContact NZ-OD2 3.47Å; K246-D484 PolarHBondContact NZ-OD2 2.99Å
247V88.5Confident87.3Confident44 Ų4454.3 Ų54.327%0.26732%0.316SS..Hα-helixtrans-78.5-37.9178-177.80000110.6E245 L249 G250 V251 I296 M299E245-V247 VanDerWaalsContact C-N 3.31Å; E245-V247 PolarHBondContact O-N 3.03Å; V247-L249 PolarHBondContact O-N 2.94Å; V247-G250 PolarHBondContact O-N 3.33Å; V247-G250 VanDerWaalsContact O-N 3.13Å; V247-V251 HydrophobicContact CG1-CG2 4.42Å; V247-V251 WeakPolarHBondContact O-CG2 3.47Å; V247-V251 PolarHBondContact O-N 3.03Å; V247-I296 HydrophobicContact CG1-CD1 4.38Å; V247-I296 HydrophobicContact CG1-CG1 4.05Å; V247-I296 HydrophobicContact CG2-CG1 4.25Å; V247-M299 HydrophobicContact CG2-CG 4.25Å
248S90Very high87.4Confident55 Ų5555.6 Ų55.639%0.38532%0.324SS..Hα-helixtrans-56.3-47.9175.4-177.20000111.9E245 G250 V251 T252E245-S248 WeakPolarHBondContact O-CB 3.42Å; E245-S248 PolarHBondContact O-N 3.39Å; E245-S248 WeakPolarHBondContact OE2-CB 3.3Å; E245-S248 PolarHBondContact OE2-OG 3.1Å; E245-S248 VanDerWaalsContact OE2-OG 3.1Å; S248-G250 VanDerWaalsContact C-N 3.33Å; S248-G250 PolarHBondContact O-N 2.82Å; S248-V251 PolarHBondContact O-N 3.18Å; S248-T252 WeakPolarHBondContact O-CB 3.43Å; S248-T252 WeakPolarHBondContact O-CG2 3.5Å; S248-T252 PolarHBondContact O-N 3.49Å; S248-T252 PolarHBondContact O-OG1 2.9Å
249L90.5Very high87.6Confident53 Ų5352.6 Ų52.628%0.27732%0.321SS..Hα-helixtrans-58.8-42174.2-178.564.4000112.3E245 V247 T252 V253E245-L249 PolarHBondContact O-N 2.84Å; V247-L249 PolarHBondContact O-N 2.94Å; L249-T252 WeakPolarHBondContact CA-OG1 3.18Å; L249-T252 PolarHBondContact O-OG1 3.18Å; L249-V253 HydrophobicContact CD1-CG2 4.26Å; L249-V253 WeakPolarHBondContact O-CB 3.29Å; L249-V253 VanDerWaalsContact O-CG2 3.24Å; L249-V253 WeakPolarHBondContact O-CG2 3.3Å; L249-V253 PolarHBondContact O-N 2.87Å
250G88.8Confident87.7Confident14 Ų1452.4 Ų52.414%0.14432%0.318CS..Hα-helixtrans-64.2-43.8178.500000113.4V247 S248 L254 T292V247-G250 PolarHBondContact O-N 3.33Å; V247-G250 VanDerWaalsContact O-N 3.13Å; S248-G250 VanDerWaalsContact C-N 3.33Å; S248-G250 PolarHBondContact O-N 2.82Å; G250-L254 PolarHBondContact O-N 2.86Å; G250-L254 VanDerWaalsContact O-N 3.1Å; G250-T292 WeakPolarHBondContact O-CG2 3.48Å
251V90.9Very high87.7Confident85 Ų8551.7 Ų51.752%0.51531%0.308SS..Hα-helixtrans-69.9-40.7179174.90000111.5V247 S248 L254 L255V247-V251 HydrophobicContact CG1-CG2 4.42Å; V247-V251 WeakPolarHBondContact O-CG2 3.47Å; V247-V251 PolarHBondContact O-N 3.03Å; S248-V251 PolarHBondContact O-N 3.18Å; V251-L254 PolarHBondContact O-N 3.23Å; V251-L255 WeakPolarHBondContact O-CB 3.45Å; V251-L255 PolarHBondContact O-N 3.49Å
252T92.2Very high88.1Confident74 Ų7456.9 Ų56.945%0.45434%0.335SS..Hα-helixtrans-66.7-39.3177.748.20000112.3S248 L249 L255 A256S248-T252 WeakPolarHBondContact O-CB 3.43Å; S248-T252 WeakPolarHBondContact O-CG2 3.5Å; S248-T252 PolarHBondContact O-N 3.49Å; S248-T252 PolarHBondContact O-OG1 2.9Å; L249-T252 WeakPolarHBondContact CA-OG1 3.18Å; L249-T252 PolarHBondContact O-OG1 3.18Å; T252-L255 PolarHBondContact O-N 3.39Å; T252-A256 WeakPolarHBondContact O-CB 3.47Å; T252-A256 PolarHBondContact O-N 3.27Å
253V91.5Very high88.4Confident7 Ų756 Ų564%0.04233%0.329CS..Hα-helixtrans-62.9-41.6172.5164.90000111.8I229 L232 A233 L249 L257 I288I229-V253 HydrophobicContact CG2-CG1 3.97Å; L232-V253 HydrophobicContact CB-CG2 3.89Å; L232-V253 HydrophobicContact CD1-CG2 4.32Å; A233-V253 HydrophobicContact CB-CG1 4.35Å; L249-V253 HydrophobicContact CD1-CG2 4.26Å; L249-V253 WeakPolarHBondContact O-CB 3.29Å; L249-V253 VanDerWaalsContact O-CG2 3.24Å; L249-V253 WeakPolarHBondContact O-CG2 3.3Å; L249-V253 PolarHBondContact O-N 2.87Å; V253-L257 PolarHBondContact O-N 3.28Å; V253-I288 HydrophobicContact CG1-CD1 3.93Å; V253-I288 HydrophobicContact CG1-CG2 4.15Å
254L90.3Very high88.6Confident38 Ų3852.9 Ų52.920%0.19931%0.308CS..Hα-helixtrans-63-46.4174.8-178.264.4000111.6G250 V251 L257 T258 M285 I288G250-L254 PolarHBondContact O-N 2.86Å; G250-L254 VanDerWaalsContact O-N 3.1Å; V251-L254 PolarHBondContact O-N 3.23Å; L254-L257 PolarHBondContact O-N 3.25Å; L254-T258 WeakPolarHBondContact O-CG2 3.44Å; L254-T258 PolarHBondContact O-N 2.95Å; L254-T258 PolarHBondContact O-OG1 3.49Å; L254-M285 HydrophobicContact CD1-CE 4.48Å; L254-M285 HydrophobicContact CD1-CG 3.92Å; L254-I288 HydrophobicContact CB-CG2 3.99Å; L254-I288 HydrophobicContact CD1-CB 4.48Å; L254-I288 HydrophobicContact CD1-CG2 4.11Å
255L92.1Very high88.7Confident111 Ų11153.9 Ų53.958%0.58131%0.311SS*.Hα-helixtrans-60.5-47.7177.8-177.665.5000111.4V251 T252 L257 T258 V259V251-L255 WeakPolarHBondContact O-CB 3.45Å; V251-L255 PolarHBondContact O-N 3.49Å; T252-L255 PolarHBondContact O-N 3.39Å; L255-L257 VanDerWaalsContact C-N 3.32Å; L255-L257 PolarHBondContact O-N 2.96Å; L255-T258 WeakPolarHBondContact CA-OG1 3.34Å; L255-T258 PolarHBondContact O-N 3.47Å; L255-T258 VanDerWaalsContact O-N 3.13Å; L255-T258 PolarHBondContact O-OG1 3.26Å; L255-V259 PolarHBondContact O-N 3.32Å
256A92Very high88.7Confident36 Ų3655.3 Ų55.330%0.29832%0.318SS..Hα-helixtrans-56.8-45.7177.100000111.6I229 T252 T258 V259 F260I229-A256 HydrophobicContact CD1-CB 4.43Å; T252-A256 WeakPolarHBondContact O-CB 3.47Å; T252-A256 PolarHBondContact O-N 3.27Å; A256-T258 PolarHBondContact O-N 2.91Å; A256-V259 PolarHBondContact O-N 3.1Å; A256-F260 WeakPolarHBondContact O-CD2 3.49Å; A256-F260 PolarHBondContact O-N 2.96Å; A256-F260 VanDerWaalsContact O-N 3.13Å
257L88.7Confident88.4Confident0 Ų058.4 Ų58.40%033%0.334CS..Hα-helixtrans-62.1-41.1176.7-172.269.3000112.2C226 V253 L254 L255 V259 F260 Q261 Y281 T284 M285 I288C226-L257 VanDerWaalsContact SG-CD1 3.56Å; V253-L257 PolarHBondContact O-N 3.28Å; L254-L257 PolarHBondContact O-N 3.25Å; L255-L257 VanDerWaalsContact C-N 3.32Å; L255-L257 PolarHBondContact O-N 2.96Å; L257-V259 VanDerWaalsContact C-N 3.32Å; L257-V259 PolarHBondContact O-N 2.85Å; L257-F260 PolarHBondContact O-N 3.26Å; L257-Q261 PolarHBondContact O-N 3.35Å; L257-Y281 HydrophobicContact CD1-CD1 3.71Å; L257-Y281 HydrophobicContact CD1-CE1 3.83Å; L257-Y281 HydrophobicContact CG-CD1 4.35Å; L257-T284 WeakPolarHBondContact CD2-OG1 3.28Å; L257-M285 HydrophobicContact CD2-CB 3.99Å; L257-I288 HydrophobicContact CD2-CD1 3.69Å
258T90Very high88.1Confident34 Ų3457.4 Ų57.421%0.20933%0.326CS..Hα-helixtrans-64-34.717756.20000113.1L254 L255 A256 Q261 L262 M285L254-T258 WeakPolarHBondContact O-CG2 3.44Å; L254-T258 PolarHBondContact O-N 2.95Å; L254-T258 PolarHBondContact O-OG1 3.49Å; L255-T258 WeakPolarHBondContact CA-OG1 3.34Å; L255-T258 PolarHBondContact O-N 3.47Å; L255-T258 VanDerWaalsContact O-N 3.13Å; L255-T258 PolarHBondContact O-OG1 3.26Å; A256-T258 PolarHBondContact O-N 2.91Å; T258-Q261 PolarHBondContact O-N 3.43Å; T258-L262 WeakPolarHBondContact O-CG 3.32Å; T258-L262 PolarHBondContact O-N 3.1Å; T258-M285 HydrophobicContact CG2-CE 3.51Å; T258-M285 HydrophobicContact CG2-SD 4.05Å
259V91Very high87.7Confident86 Ų8655.3 Ų55.352%0.52131%0.312SS..Hα-helixtrans-66.1-44.9174.6173.50000111L255 A256 L257 Q261 L262 L263L255-V259 PolarHBondContact O-N 3.32Å; A256-V259 PolarHBondContact O-N 3.1Å; L257-V259 VanDerWaalsContact C-N 3.32Å; L257-V259 PolarHBondContact O-N 2.85Å; V259-Q261 VanDerWaalsContact C-N 3.31Å; V259-Q261 PolarHBondContact O-N 3.35Å; V259-L262 PolarHBondContact O-N 3.3Å; V259-L263 PolarHBondContact O-N 2.99Å
260F87.4Confident87.1Confident55 Ų5558.2 Ų58.224%0.24133%0.334CS..Hα-helixtrans-61.6-38.6173.6-82.9-74.4000112.4P225 I229 A256 L257 V264 Y281P225-F260 HydrophobicContact CB-CE1 4.21Å; P225-F260 HydrophobicContact CB-CZ 3.99Å; I229-F260 HydrophobicContact CD1-CD2 3.75Å; I229-F260 HydrophobicContact CD1-CE2 3.45Å; I229-F260 VanDerWaalsContact CD1-CE2 3.45Å; I229-F260 HydrophobicContact CD1-CZ 4.42Å; A256-F260 WeakPolarHBondContact O-CD2 3.49Å; A256-F260 PolarHBondContact O-N 2.96Å; A256-F260 VanDerWaalsContact O-N 3.13Å; L257-F260 PolarHBondContact O-N 3.26Å; F260-V264 WeakPolarHBondContact O-CB 3.29Å; F260-V264 VanDerWaalsContact O-CG2 3.22Å; F260-V264 WeakPolarHBondContact O-CG2 3.02Å; F260-V264 PolarHBondContact O-N 2.95Å; F260-V264 VanDerWaalsContact O-N 3.1Å; F260-Y281 HydrophobicContact CB-CE1 4.11Å
261Q85.4Confident86.3Confident58 Ų5859.6 Ų59.627%0.27134%0.341SS..Hα-helixtrans-65.3-39175.7-177.1-178.1-17.600112.5L257 T258 V259 V264 A265 Y281 M285L257-Q261 PolarHBondContact O-N 3.35Å; T258-Q261 PolarHBondContact O-N 3.43Å; V259-Q261 VanDerWaalsContact C-N 3.31Å; V259-Q261 PolarHBondContact O-N 3.35Å; Q261-V264 PolarHBondContact O-N 2.91Å; Q261-A265 PolarHBondContact O-N 3.26Å; Q261-Y281 HydrophobicContact CB-CD1 4.26Å; Q261-Y281 HydrophobicContact CB-CG 4.38Å; Q261-Y281 HydrophobicContact CG-CG 4.48Å; Q261-M285 PolarHBondContact OE1-SD 2.95Å
262L87.3Confident85.3Confident115 Ų11563.2 Ų63.260%0.60235%0.353SS*.Hα-helixtrans-65.7-46176.7-74170.6000111.7T258 V259 V264 A265 E266T258-L262 WeakPolarHBondContact O-CG 3.32Å; T258-L262 PolarHBondContact O-N 3.1Å; V259-L262 PolarHBondContact O-N 3.3Å; L262-V264 PolarHBondContact O-N 3.42Å; L262-A265 WeakPolarHBondContact O-CB 3.33Å; L262-A265 PolarHBondContact O-N 3.04Å; L262-E266 PolarHBondContact O-N 3.13Å; L262-E266 VanDerWaalsContact O-N 3.09Å
263L87.1Confident84.5Confident82 Ų8263.6 Ų63.643%0.42935%0.352SS..Hα-helixtrans-54-42173.2-178.271.9000111.7L222 V259 A265 E266L222-L263 HydrophobicContact CD2-CD2 3.98Å; V259-L263 PolarHBondContact O-N 2.99Å; L263-A265 VanDerWaalsContact C-N 3.34Å; L263-E266 PolarHBondContact O-N 3.05Å
264V84.8Confident83.9Confident4 Ų466.7 Ų66.72%0.02437%0.371CS..Hα-helixtrans-71.5-26.2178.4168.60000112.6L222 F260 Q261 L262 I267 M268 I277 Y281L222-V264 HydrophobicContact CD1-CG2 4.06Å; L222-V264 HydrophobicContact CD2-CG2 4.06Å; F260-V264 WeakPolarHBondContact O-CB 3.29Å; F260-V264 VanDerWaalsContact O-CG2 3.22Å; F260-V264 WeakPolarHBondContact O-CG2 3.02Å; F260-V264 PolarHBondContact O-N 2.95Å; F260-V264 VanDerWaalsContact O-N 3.1Å; Q261-V264 PolarHBondContact O-N 2.91Å; L262-V264 PolarHBondContact O-N 3.42Å; V264-I267 VanDerWaalsContact O-CG1 3.28Å; V264-I267 WeakPolarHBondContact O-CG1 3.04Å; V264-M268 HydrophobicContact CG1-CE 3.3Å; V264-M268 WeakPolarHBondContact O-CE 3.39Å; V264-I277 HydrophobicContact CG1-CG2 4.28Å; V264-Y281 HydrophobicContact CB-CE2 4.17Å; V264-Y281 HydrophobicContact CG1-CD2 4.19Å; V264-Y281 HydrophobicContact CG1-CE2 3.92Å; V264-Y281 HydrophobicContact CG2-CE2 3.82Å
265A81.7Confident83.6Confident65 Ų6565.9 Ų65.954%0.53737%0.367SS..Hα-helixtrans-79.1-26.417500000113.3Q261 L262 L263Q261-A265 PolarHBondContact O-N 3.26Å; L262-A265 WeakPolarHBondContact O-CB 3.33Å; L262-A265 PolarHBondContact O-N 3.04Å; L263-A265 VanDerWaalsContact C-N 3.34Å
266E84.7Confident83.2Confident145 Ų14562.9 Ų62.968%0.67835%0.352SS*.Hα-helixtrans-73.4-32.2177.4-70.7-175.1162.100113L262 L263L262-E266 PolarHBondContact O-N 3.13Å; L262-E266 VanDerWaalsContact O-N 3.09Å; L263-E266 PolarHBondContact O-N 3.05Å
267I81.3Confident82.8Confident65 Ų6561.7 Ų61.733%0.33334%0.34SS..SBendtrans-83-11.3-178.161.1170.7000114.7F140 L222 V264F140-I267 HydrophobicContact CE1-CD1 4.5Å; F140-I267 HydrophobicContact CZ-CD1 4.09Å; L222-I267 HydrophobicContact CD1-CD1 4.18Å; V264-I267 VanDerWaalsContact O-CG1 3.28Å; V264-I267 WeakPolarHBondContact O-CG1 3.04Å
268M82.1Confident82.6Confident23 Ų2362.3 Ų62.311%0.11335%0.347CS..SBendtrans-112.8144.9-174.7-83.4-175.2-72.400113.1V137 F140 V264 P275 I277V137-M268 HydrophobicContact CB-SD 4.45Å; F140-M268 HydrophobicContact CB-SD 4.48Å; F140-M268 HydrophobicContact CD1-SD 4.2Å; F140-M268 HydrophobicContact CG-SD 4.2Å; V264-M268 HydrophobicContact CG1-CE 3.3Å; V264-M268 WeakPolarHBondContact O-CE 3.39Å; M268-P275 HydrophobicContact CE-CG 4.25Å; M268-P275 HydrophobicContact SD-CB 3.98Å; M268-P275 HydrophobicContact SD-CG 3.54Å; M268-P275 VanDerWaalsContact SD-CG 3.54Å; M268-I277 HydrophobicContact CE-CG2 3.9Å; M268-I277 HydrophobicContact SD-CG2 4.38Å
269P82.4Confident82.3Confident11 Ų1166.1 Ų66.17%0.07136%0.361CS..  trans-64.2153172.421.3-30000113E50 Q53 V137 S271E50-P269 HydrophobicContact CB-CG 4.25Å; E50-P269 WeakPolarHBondContact O-CB 3.17Å; E50-P269 VanDerWaalsContact O-CG 3.24Å; E50-P269 WeakPolarHBondContact O-CG 3.35Å; Q53-P269 HydrophobicContact CG-CB 4.49Å; V137-P269 HydrophobicContact CG1-CG 4Å; P269-S271 PolarHBondContact O-N 3.45Å; P269-S271 VanDerWaalsContact O-N 3.08Å
270P77.6Confident82.1Confident115 Ų11562.5 Ų62.575%0.74734%0.338SS*.  trans-61.8111.315828.9-32.3000108.7
271S72.6Confident82.1Confident43 Ų4359.9 Ų59.930%0.30133%0.326SS..  trans-119.9150.7-178.9-175.70000111.3P269 N273P269-S271 PolarHBondContact O-N 3.45Å; P269-S271 VanDerWaalsContact O-N 3.08Å; S271-N273 PolarHBondContact O-N 3.38Å; S271-N273 PolarHBondContact OG-N 2.91Å
272E68.4Low82.1Confident161 Ų16161.5 Ų61.575%0.75234%0.336SS*.SBendtrans-62-29.8171.8-61.9167.6132.400111.3K134K134-E272 IonicContact NZ-OE2 2.73Å; K134-E272 PolarHBondContact NZ-OE2 3.13Å
273N75.6Confident82.2Confident82 Ų8257.6 Ų57.644%0.43932%0.32SS..SBendtrans-101.2122.8180-70.9-33.2000111S138 S271 P275S138-N273 PolarHBondContact OG-ND2 3.44Å; S271-N273 PolarHBondContact O-N 3.38Å; S271-N273 PolarHBondContact OG-N 2.91Å; N273-P275 WeakPolarHBondContact O-CD 3.44Å
274V78.8Confident82.2Confident72 Ų7254 Ų5444%0.43630%0.301SS..PPolyproline II helixtrans-68.3122.3172-173.90000109.7K279V274-K279 HydrophobicContact CB-CG 4.39Å; V274-K279 HydrophobicContact CG1-CG 3.94Å; V274-K279 VanDerWaalsContact O-CE 3.3Å; V274-K279 WeakPolarHBondContact O-CE 3.43Å; V274-K279 PolarHBondContact O-NZ 3.28Å
275P84.8Confident82.4Confident20 Ų2056.7 Ų56.713%0.1331%0.314CS..PPolyproline II helixtrans-55.5150.9178.8-26.133.7000113.2V137 M268 N273 I277 G278 K279V137-P275 HydrophobicContact CB-CG 4.17Å; V137-P275 HydrophobicContact CG2-CG 3.83Å; V137-P275 WeakPolarHBondContact O-CB 3.38Å; M268-P275 HydrophobicContact CE-CG 4.25Å; M268-P275 HydrophobicContact SD-CB 3.98Å; M268-P275 HydrophobicContact SD-CG 3.54Å; M268-P275 VanDerWaalsContact SD-CG 3.54Å; N273-P275 WeakPolarHBondContact O-CD 3.44Å; P275-I277 VanDerWaalsContact C-N 3.27Å; P275-I277 HydrophobicContact CB-CG2 3.99Å; P275-I277 PolarHBondContact O-N 2.86Å; P275-G278 PolarHBondContact O-N 3.01Å; P275-K279 PolarHBondContact O-N 3.19Å
276L82.9Confident82.8Confident49 Ų4957.7 Ų57.726%0.25731%0.314SS..Hα-helixtrans-56.2-42.5173.1-173.667.5000111.7S138 G278 K279 Y280 K505S138-L276 WeakPolarHBondContact O-CB 3.25Å; S138-L276 PolarHBondContact O-N 2.71Å; L276-G278 VanDerWaalsContact C-N 3.33Å; L276-G278 PolarHBondContact O-N 2.99Å; L276-K279 PolarHBondContact O-N 2.96Å; L276-Y280 PolarHBondContact O-N 3.09Å; L276-Y280 VanDerWaalsContact O-N 3.08Å; L276-K505 HydrophobicContact CD2-CB 3.99Å
277I83.7Confident83Confident10 Ų1051.5 Ų51.55%0.05129%0.285CS..Hα-helixtrans-63.6-37.3175.4-161.773000112.1F140 V264 M268 P275 Y280 Y281F140-I277 HydrophobicContact CD1-CG2 3.85Å; V264-I277 HydrophobicContact CG1-CG2 4.28Å; M268-I277 HydrophobicContact CE-CG2 3.9Å; M268-I277 HydrophobicContact SD-CG2 4.38Å; P275-I277 VanDerWaalsContact C-N 3.27Å; P275-I277 HydrophobicContact CB-CG2 3.99Å; P275-I277 PolarHBondContact O-N 2.86Å; I277-Y280 HydrophobicContact CD1-CD1 4.13Å; I277-Y280 WeakPolarHBondContact O-CB 3.5Å; I277-Y280 PolarHBondContact O-N 3.13Å; I277-Y281 HydrophobicContact CD1-CE2 4.24Å; I277-Y281 HydrophobicContact CG1-CD2 3.99Å; I277-Y281 HydrophobicContact CG1-CE2 3.61Å; I277-Y281 WeakPolarHBondContact O-CD2 3.38Å; I277-Y281 PolarHBondContact O-N 2.98Å
278G84.2Confident83.4Confident14 Ų1448.5 Ų48.514%0.14427%0.27CS..Hα-helixtrans-66.7-41.6176.800000112.2P275 L276 Y280 Y281 I282P275-G278 PolarHBondContact O-N 3.01Å; L276-G278 VanDerWaalsContact C-N 3.33Å; L276-G278 PolarHBondContact O-N 2.99Å; G278-Y280 VanDerWaalsContact C-N 3.27Å; G278-Y280 PolarHBondContact O-N 3.02Å; G278-Y281 PolarHBondContact O-N 2.84Å; G278-I282 VanDerWaalsContact O-CG1 3.31Å; G278-I282 WeakPolarHBondContact O-CG1 3.27Å; G278-I282 PolarHBondContact O-N 2.85Å
279K85.2Confident83.8Confident114 Ų11450.4 Ų50.450%0.49628%0.283SS..Hα-helixtrans-59.1-39.1172.3-71.2163175.8140.10111.6V274 P275 L276 A283V274-K279 HydrophobicContact CB-CG 4.39Å; V274-K279 HydrophobicContact CG1-CG 3.94Å; V274-K279 VanDerWaalsContact O-CE 3.3Å; V274-K279 WeakPolarHBondContact O-CE 3.43Å; V274-K279 PolarHBondContact O-NZ 3.28Å; P275-K279 PolarHBondContact O-N 3.19Å; L276-K279 PolarHBondContact O-N 2.96Å; K279-A283 WeakPolarHBondContact O-CB 3.2Å; K279-A283 PolarHBondContact O-N 2.79Å
280Y85.9Confident84.2Confident9 Ų952.2 Ų52.24%0.03530%0.299CS..Hα-helixtrans-63.5-52.5173.8168.5-130.8000112.5C226 V227 S230 L276 I277 G278 I282 A283 T284 I502C226-Y280 HydrophobicContact CB-CE1 4.16Å; C226-Y280 WeakPolarHBondContact SG-CE1 3.43Å; V227-Y280 WeakPolarHBondContact CG2-OH 3.49Å; S230-Y280 PolarHBondContact OG-OH 3.4Å; L276-Y280 PolarHBondContact O-N 3.09Å; L276-Y280 VanDerWaalsContact O-N 3.08Å; I277-Y280 HydrophobicContact CD1-CD1 4.13Å; I277-Y280 WeakPolarHBondContact O-CB 3.5Å; I277-Y280 PolarHBondContact O-N 3.13Å; G278-Y280 VanDerWaalsContact C-N 3.27Å; G278-Y280 PolarHBondContact O-N 3.02Å; Y280-I282 VanDerWaalsContact C-N 3.28Å; Y280-I282 PolarHBondContact O-N 2.85Å; Y280-A283 CarbonylContact O-C 3.59Å; Y280-A283 PolarHBondContact O-N 2.93Å; Y280-T284 HydrophobicContact CD2-CG2 3.59Å; Y280-T284 HydrophobicContact CE2-CG2 3.16Å; Y280-T284 PolarHBondContact O-N 3.06Å; Y280-T284 PolarHBondContact O-OG1 3.45Å; Y280-T284 VanDerWaalsContact O-OG1 3.1Å; Y280-I502 HydrophobicContact CD1-CD1 4.13Å; Y280-I502 HydrophobicContact CD2-CD1 3Å; Y280-I502 HydrophobicContact CD2-CG1 4.44Å; Y280-I502 HydrophobicContact CE2-CD1 3.47Å; Y280-I502 VanDerWaalsContact CE2-CD1 3.47Å; Y280-I502 HydrophobicContact CG-CD1 3.35Å
281Y87.1Confident84.8Confident1 Ų147 Ų470%0.00427%0.265CS..Hα-helixtrans-57.2-40.3178.8-80.1-68.7000112.4C226 L257 F260 Q261 V264 I277 G278 T284 M285C226-Y281 HydrophobicContact CB-CE1 4.07Å; C226-Y281 WeakPolarHBondContact SG-CE1 3.36Å; L257-Y281 HydrophobicContact CD1-CD1 3.71Å; L257-Y281 HydrophobicContact CD1-CE1 3.83Å; L257-Y281 HydrophobicContact CG-CD1 4.35Å; F260-Y281 HydrophobicContact CB-CE1 4.11Å; Q261-Y281 HydrophobicContact CB-CD1 4.26Å; Q261-Y281 HydrophobicContact CB-CG 4.38Å; Q261-Y281 HydrophobicContact CG-CG 4.48Å; V264-Y281 HydrophobicContact CB-CE2 4.17Å; V264-Y281 HydrophobicContact CG1-CD2 4.19Å; V264-Y281 HydrophobicContact CG1-CE2 3.92Å; V264-Y281 HydrophobicContact CG2-CE2 3.82Å; I277-Y281 HydrophobicContact CD1-CE2 4.24Å; I277-Y281 HydrophobicContact CG1-CD2 3.99Å; I277-Y281 HydrophobicContact CG1-CE2 3.61Å; I277-Y281 WeakPolarHBondContact O-CD2 3.38Å; I277-Y281 PolarHBondContact O-N 2.98Å; G278-Y281 PolarHBondContact O-N 2.84Å; Y281-T284 WeakPolarHBondContact CA-OG1 3.45Å; Y281-T284 PolarHBondContact O-N 3.24Å; Y281-T284 PolarHBondContact O-OG1 3.23Å; Y281-M285 WeakPolarHBondContact O-CB 3.49Å; Y281-M285 PolarHBondContact O-N 2.94Å
282I86.7Confident85.7Confident91 Ų9145.7 Ų45.747%0.46726%0.255SS..Hα-helixtrans-65.7-41.3175.9-65.9164.3000111.1G278 Y280 T286G278-I282 VanDerWaalsContact O-CG1 3.31Å; G278-I282 WeakPolarHBondContact O-CG1 3.27Å; G278-I282 PolarHBondContact O-N 2.85Å; Y280-I282 VanDerWaalsContact C-N 3.28Å; Y280-I282 PolarHBondContact O-N 2.85Å; I282-T286 WeakPolarHBondContact O-CB 3.43Å; I282-T286 WeakPolarHBondContact O-CG2 3.17Å; I282-T286 PolarHBondContact O-N 3Å; I282-T286 PolarHBondContact O-OG1 2.78Å
283A88.1Confident86.8Confident34 Ų3440.8 Ų40.828%0.28124%0.242SC..Hα-helixtrans-68-38.6177.400000112.9K279 Y280 T286 M287K279-A283 WeakPolarHBondContact O-CB 3.2Å; K279-A283 PolarHBondContact O-N 2.79Å; Y280-A283 CarbonylContact O-C 3.59Å; Y280-A283 PolarHBondContact O-N 2.93Å; A283-T286 PolarHBondContact O-OG1 2.66Å; A283-T286 VanDerWaalsContact O-OG1 3.09Å; A283-M287 WeakPolarHBondContact O-CB 3.35Å; A283-M287 PolarHBondContact O-N 3.49Å
284T87.8Confident87.4Confident5 Ų539.1 Ų39.13%0.03123%0.233CC..Hα-helixtrans-73.5-40175.347.40000111.9L257 Y280 Y281 T286 M287 I288L257-T284 WeakPolarHBondContact CD2-OG1 3.28Å; Y280-T284 HydrophobicContact CD2-CG2 3.59Å; Y280-T284 HydrophobicContact CE2-CG2 3.16Å; Y280-T284 PolarHBondContact O-N 3.06Å; Y280-T284 PolarHBondContact O-OG1 3.45Å; Y280-T284 VanDerWaalsContact O-OG1 3.1Å; Y281-T284 WeakPolarHBondContact CA-OG1 3.45Å; Y281-T284 PolarHBondContact O-N 3.24Å; Y281-T284 PolarHBondContact O-OG1 3.23Å; T284-T286 PolarHBondContact O-N 2.83Å; T284-M287 WeakPolarHBondContact O-CB 3.07Å; T284-M287 PolarHBondContact O-N 2.67Å; T284-I288 WeakPolarHBondContact O-CB 3.43Å; T284-I288 VanDerWaalsContact O-CG1 3.22Å; T284-I288 WeakPolarHBondContact O-CG1 3.39Å; T284-I288 PolarHBondContact O-N 3.14Å
285M89.1Confident87.9Confident61 Ų6135.9 Ų35.930%0.321%0.214SC..Hα-helixtrans-62.5-45176.9-173.7-179179.700111.7L254 L257 T258 Q261 Y281 I288 T289L254-M285 HydrophobicContact CD1-CE 4.48Å; L254-M285 HydrophobicContact CD1-CG 3.92Å; L257-M285 HydrophobicContact CD2-CB 3.99Å; T258-M285 HydrophobicContact CG2-CE 3.51Å; T258-M285 HydrophobicContact CG2-SD 4.05Å; Q261-M285 PolarHBondContact OE1-SD 2.95Å; Y281-M285 WeakPolarHBondContact O-CB 3.49Å; Y281-M285 PolarHBondContact O-N 2.94Å; M285-I288 PolarHBondContact O-N 3.02Å; M285-T289 WeakPolarHBondContact O-CB 3.35Å; M285-T289 PolarHBondContact O-N 2.89Å; M285-T289 PolarHBondContact O-OG1 3.05Å
286T89.5Confident88.1Confident86 Ų8639.4 Ų39.453%0.52823%0.23SC..Hα-helixtrans-65-40.3175.249.60000112I282 A283 T284 T289 A290I282-T286 WeakPolarHBondContact O-CB 3.43Å; I282-T286 WeakPolarHBondContact O-CG2 3.17Å; I282-T286 PolarHBondContact O-N 3Å; I282-T286 PolarHBondContact O-OG1 2.78Å; A283-T286 PolarHBondContact O-OG1 2.66Å; A283-T286 VanDerWaalsContact O-OG1 3.09Å; T284-T286 PolarHBondContact O-N 2.83Å; T286-T289 PolarHBondContact O-N 3.32Å; T286-A290 WeakPolarHBondContact O-CB 3.4Å; T286-A290 PolarHBondContact O-N 2.03Å
287M88.9Confident88.4Confident15 Ų1542.5 Ų42.57%0.07424%0.242CC..Hα-helixtrans-60.3-46.4173.5175.3178.8-29.500113A283 T284 A290 S291 F491 M494 V495 M498A283-M287 WeakPolarHBondContact O-CB 3.35Å; A283-M287 PolarHBondContact O-N 3.49Å; T284-M287 WeakPolarHBondContact O-CB 3.07Å; T284-M287 PolarHBondContact O-N 2.67Å; M287-A290 PolarHBondContact O-N 2.84Å; M287-S291 WeakPolarHBondContact O-CB 3.27Å; M287-S291 PolarHBondContact O-N 3.2Å; M287-F491 HydrophobicContact CG-CD1 3.75Å; M287-F491 HydrophobicContact CG-CE1 3.87Å; M287-F491 HydrophobicContact SD-CD1 4.33Å; M287-M494 HydrophobicContact CB-CE 4.24Å; M287-M494 HydrophobicContact CE-CE 3.83Å; M287-M494 HydrophobicContact CE-CG 3.88Å; M287-M494 HydrophobicContact CE-SD 4.44Å; M287-M494 HydrophobicContact CG-CE 3.51Å; M287-M494 HydrophobicContact SD-CE 3.65Å; M287-M494 HydrophobicContact SD-CG 4.34Å; M287-V495 HydrophobicContact SD-CG2 3.4Å; M287-V495 WeakPolarHBondContact SD-CG2 3.39Å; M287-M498 HydrophobicContact CE-CG 4.07Å
288I89.9Confident88.6Confident3 Ų342 Ų422%0.01524%0.239CC..Hα-helixtrans-69-39.4-179.7-67.2171.4000110.1A233 V253 L254 L257 T284 M285 A290 S291 T292A233-I288 HydrophobicContact CB-CD1 4.45Å; A233-I288 HydrophobicContact CB-CG1 3.9Å; V253-I288 HydrophobicContact CG1-CD1 3.93Å; V253-I288 HydrophobicContact CG1-CG2 4.15Å; L254-I288 HydrophobicContact CB-CG2 3.99Å; L254-I288 HydrophobicContact CD1-CB 4.48Å; L254-I288 HydrophobicContact CD1-CG2 4.11Å; L257-I288 HydrophobicContact CD2-CD1 3.69Å; T284-I288 WeakPolarHBondContact O-CB 3.43Å; T284-I288 VanDerWaalsContact O-CG1 3.22Å; T284-I288 WeakPolarHBondContact O-CG1 3.39Å; T284-I288 PolarHBondContact O-N 3.14Å; M285-I288 PolarHBondContact O-N 3.02Å; I288-A290 VanDerWaalsContact C-N 3.35Å; I288-A290 PolarHBondContact O-N 2.91Å; I288-S291 WeakPolarHBondContact O-CB 3.3Å; I288-S291 PolarHBondContact O-N 3.24Å; I288-T292 HydrophobicContact CG2-CG2 4.48Å; I288-T292 WeakPolarHBondContact O-CG2 3.48Å; I288-T292 PolarHBondContact O-N 3.44Å; I288-T292 PolarHBondContact O-OG1 3.13Å
289T90.9Very high88.7Confident63 Ų6342.6 Ų42.639%0.38724%0.238SC..Hα-helixtrans-63-39.8174.3-530000112M285 T286 T292 A293M285-T289 WeakPolarHBondContact O-CB 3.35Å; M285-T289 PolarHBondContact O-N 2.89Å; M285-T289 PolarHBondContact O-OG1 3.05Å; T286-T289 PolarHBondContact O-N 3.32Å; T289-T292 PolarHBondContact O-OG1 2.91Å; T289-T292 VanDerWaalsContact O-OG1 3.09Å; T289-A293 WeakPolarHBondContact O-CB 3.33Å; T289-A293 PolarHBondContact O-N 3.21Å
290A91Very high88.7Confident48 Ų4842.6 Ų42.640%0.39724%0.244SC..Hα-helixtrans-66.8-39.9173.600000111.9T286 M287 I288 L294T286-A290 WeakPolarHBondContact O-CB 3.4Å; T286-A290 PolarHBondContact O-N 2.03Å; M287-A290 PolarHBondContact O-N 2.84Å; I288-A290 VanDerWaalsContact C-N 3.35Å; I288-A290 PolarHBondContact O-N 2.91Å; A290-L294 WeakPolarHBondContact O-CB 3.39Å; A290-L294 VanDerWaalsContact O-CG 3.29Å; A290-L294 WeakPolarHBondContact O-CG 3.3Å; A290-L294 PolarHBondContact O-N 3.4Å
291S90.6Very high88.6Confident6 Ų643.2 Ų43.24%0.04225%0.248CC..Hα-helixtrans-59.3-49.3173.9171.80000111.8F237 M287 I288 L294 T295F237-S291 WeakPolarHBondContact CE2-OG 3.35Å; F237-S291 WeakPolarHBondContact CZ-OG 3.39Å; M287-S291 WeakPolarHBondContact O-CB 3.27Å; M287-S291 PolarHBondContact O-N 3.2Å; I288-S291 WeakPolarHBondContact O-CB 3.3Å; I288-S291 PolarHBondContact O-N 3.24Å; S291-L294 CarbonylContact O-C 3.6Å; S291-L294 PolarHBondContact O-N 2.97Å; S291-T295 PolarHBondContact O-N 3.27Å
292T90Very high88.4Confident16 Ų1643.7 Ų43.710%0.09825%0.25CC..Hα-helixtrans-68.3-36.9-18056.70000113G250 I288 T289 L294 T295 I296G250-T292 WeakPolarHBondContact O-CG2 3.48Å; I288-T292 HydrophobicContact CG2-CG2 4.48Å; I288-T292 WeakPolarHBondContact O-CG2 3.48Å; I288-T292 PolarHBondContact O-N 3.44Å; I288-T292 PolarHBondContact O-OG1 3.13Å; T289-T292 PolarHBondContact O-OG1 2.91Å; T289-T292 VanDerWaalsContact O-OG1 3.09Å; T292-L294 VanDerWaalsContact C-N 3.29Å; T292-L294 PolarHBondContact O-N 2.89Å; T292-T295 WeakPolarHBondContact CA-OG1 3.38Å; T292-T295 PolarHBondContact O-N 3.44Å; T292-T295 PolarHBondContact O-OG1 2.83Å; T292-I296 VanDerWaalsContact O-CG1 3.3Å; T292-I296 WeakPolarHBondContact O-CG1 3.34Å; T292-I296 PolarHBondContact O-N 2.72Å
293A91.5Very high88.2Confident58 Ų5844.6 Ų44.648%0.47925%0.252SS..Hα-helixtrans-60.2-40.417100000111.8T289 F297T289-A293 WeakPolarHBondContact O-CB 3.33Å; T289-A293 PolarHBondContact O-N 3.21Å; A293-F297 PolarHBondContact O-N 2.9Å
294L89.4Confident87.5Confident47 Ų4744.7 Ų44.725%0.24625%0.25CS..Hα-helixtrans-70.6-37.8176-73168.3000112.8A290 S291 T292 I296 F297 I298 F487 F491A290-L294 WeakPolarHBondContact O-CB 3.39Å; A290-L294 VanDerWaalsContact O-CG 3.29Å; A290-L294 WeakPolarHBondContact O-CG 3.3Å; A290-L294 PolarHBondContact O-N 3.4Å; S291-L294 CarbonylContact O-C 3.6Å; S291-L294 PolarHBondContact O-N 2.97Å; T292-L294 VanDerWaalsContact C-N 3.29Å; T292-L294 PolarHBondContact O-N 2.89Å; L294-I296 VanDerWaalsContact C-N 3.34Å; L294-I296 PolarHBondContact O-N 2.84Å; L294-F297 PolarHBondContact O-N 2.9Å; L294-I298 WeakPolarHBondContact O-CD1 3.42Å; L294-I298 VanDerWaalsContact O-CG1 3.22Å; L294-I298 WeakPolarHBondContact O-CG1 3.4Å; L294-I298 PolarHBondContact O-N 2.85Å; L294-F487 HydrophobicContact CD1-CD1 3.94Å; L294-F487 HydrophobicContact CD1-CE1 3.9Å; L294-F487 HydrophobicContact CD1-CZ 4.43Å; L294-F487 HydrophobicContact CD2-CE1 4.28Å; L294-F487 HydrophobicContact CD2-CE2 4.43Å; L294-F487 HydrophobicContact CD2-CZ 4.02Å; L294-F491 HydrophobicContact CD1-CE2 3.73Å; L294-F491 HydrophobicContact CD1-CZ 3.83Å
295T88.7Confident86.4Confident4 Ų446.4 Ų46.43%0.02527%0.269CS..Hα-helixtrans-65.9-36.6175.2600000112.1F237 S291 T292 I298 M299F237-T295 HydrophobicContact CD1-CG2 3.82Å; F237-T295 HydrophobicContact CE1-CG2 3.41Å; F237-T295 VanDerWaalsContact CE1-CG2 3.41Å; F237-T295 HydrophobicContact CE2-CG2 4.49Å; F237-T295 HydrophobicContact CG-CG2 4.5Å; F237-T295 HydrophobicContact CZ-CG2 3.79Å; S291-T295 PolarHBondContact O-N 3.27Å; T292-T295 WeakPolarHBondContact CA-OG1 3.38Å; T292-T295 PolarHBondContact O-N 3.44Å; T292-T295 PolarHBondContact O-OG1 2.83Å; T295-I298 PolarHBondContact O-N 2.76Å; T295-M299 WeakPolarHBondContact O-CB 3.46Å; T295-M299 PolarHBondContact O-N 2.89Å
296I89.4Confident84.9Confident93 Ų9348.4 Ų48.448%0.47729%0.286SS..Hα-helixtrans-63.3-43.9172.2-67.3165000110.8V247 T292 L294 M299 N300V247-I296 HydrophobicContact CG1-CD1 4.38Å; V247-I296 HydrophobicContact CG1-CG1 4.05Å; V247-I296 HydrophobicContact CG2-CG1 4.25Å; T292-I296 VanDerWaalsContact O-CG1 3.3Å; T292-I296 WeakPolarHBondContact O-CG1 3.34Å; T292-I296 PolarHBondContact O-N 2.72Å; L294-I296 VanDerWaalsContact C-N 3.34Å; L294-I296 PolarHBondContact O-N 2.84Å; I296-M299 WeakPolarHBondContact O-CB 3.39Å; I296-M299 PolarHBondContact O-N 2.87Å; I296-N300 PolarHBondContact O-N 3.4Å
297F88.8Confident83.5Confident115 Ų11551.8 Ų51.850%0.50430%0.301SS..Hα-helixtrans-61.9-43.8175.6177.4-106.4000112.5A293 L294 M299 N300 I301A293-F297 PolarHBondContact O-N 2.9Å; L294-F297 PolarHBondContact O-N 2.9Å; F297-M299 VanDerWaalsContact C-N 3.34Å; F297-N300 WeakPolarHBondContact O-CB 3.45Å; F297-N300 PolarHBondContact O-N 2.84Å; F297-I301 HydrophobicContact CD1-CD1 3.98Å; F297-I301 HydrophobicContact CE1-CD1 3.44Å; F297-I301 VanDerWaalsContact CE1-CD1 3.44Å; F297-I301 HydrophobicContact CE2-CD1 4.3Å; F297-I301 HydrophobicContact CZ-CD1 3.64Å; F297-I301 WeakPolarHBondContact O-CG1 3.28Å; F297-I301 PolarHBondContact O-N 2.91Å; F297-I301 VanDerWaalsContact O-N 3.09Å
298I87.5Confident82.2Confident0 Ų052 Ų520%031%0.305CS..Hα-helixtrans-67.4-35.7176.8-62.6160.4000111F237 L294 T295 I301 H302 A480 L483 D484 F487F237-I298 HydrophobicContact CD1-CD1 4.32Å; F237-I298 HydrophobicContact CE1-CD1 4.05Å; L294-I298 WeakPolarHBondContact O-CD1 3.42Å; L294-I298 VanDerWaalsContact O-CG1 3.22Å; L294-I298 WeakPolarHBondContact O-CG1 3.4Å; L294-I298 PolarHBondContact O-N 2.85Å; T295-I298 PolarHBondContact O-N 2.76Å; I298-I301 PolarHBondContact O-N 2.65Å; I298-H302 WeakPolarHBondContact O-CB 3.42Å; I298-H302 PolarHBondContact O-N 2.88Å; I298-A480 HydrophobicContact CG2-CB 3.96Å; I298-L483 HydrophobicContact CD1-CB 4.41Å; I298-L483 HydrophobicContact CG1-CB 4.34Å; I298-D484 VanDerWaalsContact CD1-OD1 3.3Å; I298-D484 WeakPolarHBondContact CD1-OD1 3.46Å; I298-F487 HydrophobicContact CD1-CD2 3.65Å; I298-F487 HydrophobicContact CD1-CE2 4.13Å
299M86.1Confident81.1Confident25 Ų2560.3 Ų60.312%0.12334%0.341CS..Hα-helixtrans-61.6-41.5173-94.5-67.2-155.100112.7A241 K246 V247 T295 I296 F297 H302 H303A241-M299 HydrophobicContact CB-CE 4.23Å; A241-M299 HydrophobicContact CB-SD 3.88Å; A241-M299 WeakPolarHBondContact O-CE 3.34Å; K246-M299 HydrophobicContact CB-CE 4.23Å; V247-M299 HydrophobicContact CG2-CG 4.25Å; T295-M299 WeakPolarHBondContact O-CB 3.46Å; T295-M299 PolarHBondContact O-N 2.89Å; I296-M299 WeakPolarHBondContact O-CB 3.39Å; I296-M299 PolarHBondContact O-N 2.87Å; F297-M299 VanDerWaalsContact C-N 3.34Å; M299-H302 PolarHBondContact O-N 2.83Å; M299-H303 PolarHBondContact O-N 2.99Å; M299-H303 PolarHBondContact O-ND1 3.24Å; M299-H303 VanDerWaalsContact SD-CE1 3.54Å
300N86.6Confident80Confident115 Ų11561.4 Ų61.462%0.61535%0.349SS*.Hα-helixtrans-62.3-43.2174.4-170.8-5000111I296 F297 H302 H303 C304I296-N300 PolarHBondContact O-N 3.4Å; F297-N300 WeakPolarHBondContact O-CB 3.45Å; F297-N300 PolarHBondContact O-N 2.84Å; N300-H302 PolarHBondContact O-N 2.88Å; N300-H303 CarbonylContact O-C 3.51Å; N300-H303 PolarHBondContact O-N 2.81Å; N300-C304 PolarHBondContact O-N 2.73Å
301I82.4Confident79.2Confident22 Ų2259.8 Ų59.811%0.11333%0.334CS..Hα-helixtrans-63.4-41.5173.6-67.9174.3000111.9F297 I298 H303 C304 W476 V479 A480 L483F297-I301 HydrophobicContact CD1-CD1 3.98Å; F297-I301 HydrophobicContact CE1-CD1 3.44Å; F297-I301 VanDerWaalsContact CE1-CD1 3.44Å; F297-I301 HydrophobicContact CE2-CD1 4.3Å; F297-I301 HydrophobicContact CZ-CD1 3.64Å; F297-I301 WeakPolarHBondContact O-CG1 3.28Å; F297-I301 PolarHBondContact O-N 2.91Å; F297-I301 VanDerWaalsContact O-N 3.09Å; I298-I301 PolarHBondContact O-N 2.65Å; I301-H303 VanDerWaalsContact C-N 3.34Å; I301-H303 PolarHBondContact O-N 2.98Å; I301-C304 PolarHBondContact O-N 2.81Å; I301-C304 PolarHBondContact O-SG 2.93Å; I301-W476 HydrophobicContact CG2-CE3 3.63Å; I301-W476 HydrophobicContact CG2-CZ3 4.03Å; I301-V479 HydrophobicContact CG2-CG1 4.45Å; I301-A480 HydrophobicContact CG2-CB 4.28Å; I301-L483 HydrophobicContact CD1-CD1 4.1Å
302H83.3Confident78.6Confident10 Ų1061.7 Ų61.75%0.04635%0.346CS..Hα-helixtrans-65.7-36.3-179.3-176.3-95.6000112.8A241 D242 I298 M299 N300 K477 A480A241-H302 HydrophobicContact CB-CB 4.23Å; D242-H302 IonicContact OD1-CE1 2.64Å; D242-H302 PolarHBondContact OD1-CE1 2.78Å; D242-H302 VanDerWaalsContact OD1-CE1 3.27Å; D242-H302 IonicContact OD1-NE2 3.33Å; I298-H302 WeakPolarHBondContact O-CB 3.42Å; I298-H302 PolarHBondContact O-N 2.88Å; M299-H302 PolarHBondContact O-N 2.83Å; N300-H302 PolarHBondContact O-N 2.88Å; H302-K477 VanDerWaalsContact CE1-CE 3.42Å; H302-K477 WeakPolarHBondContact CE1-CE 3.26Å; H302-K477 PolarHBondContact CE1-NZ 3.39Å; H302-K477 WeakPolarHBondContact NE2-CD 3.35Å; H302-K477 WeakPolarHBondContact NE2-CE 3.34Å; H302-A480 HydrophobicContact CB-CB 4.05Å
303H81.9Confident77.9Confident111 Ų11170.2 Ų70.251%0.51438%0.382SS..THydrogen-bonded Turntrans-100.834.3179.2-63.8102.5000113.1M299 N300 I301 G305M299-H303 PolarHBondContact O-N 2.99Å; M299-H303 PolarHBondContact O-ND1 3.24Å; M299-H303 VanDerWaalsContact SD-CE1 3.54Å; N300-H303 CarbonylContact O-C 3.51Å; N300-H303 PolarHBondContact O-N 2.81Å; I301-H303 VanDerWaalsContact C-N 3.34Å; I301-H303 PolarHBondContact O-N 2.98Å; H303-G305 PolarHBondContact O-N 3.02Å
304C75.4Confident77.4Confident36 Ų3675.6 Ų75.624%0.24339%0.39CS..  trans-55.2120.3168.7-82.50000110.9N300 I301 A308 W476N300-C304 PolarHBondContact O-N 2.73Å; I301-C304 PolarHBondContact O-N 2.81Å; I301-C304 PolarHBondContact O-SG 2.93Å; C304-A308 HydrophobicContact CB-CB 3.89Å; C304-W476 HydrophobicContact CB-CG 4.42Å
305G63.8Low76.6Confident40 Ų4073.6 Ų73.641%0.41238%0.38SS..  trans-66.6176.3-175.400000114.9H303 D307 A308H303-G305 PolarHBondContact O-N 3.02Å; G305-D307 VanDerWaalsContact C-N 3.25Å; G305-D307 PolarHBondContact O-N 2.75Å; G305-D307 VanDerWaalsContact O-N 3.17Å; G305-A308 WeakPolarHBondContact O-CB 3.4Å; G305-A308 PolarHBondContact O-N 3.4Å
306P56.7Low76Confident103 Ų10377.6 Ų77.667%0.66940%0.397SS*.THydrogen-bonded Turntrans-58.8-31.3-173.521.6-32.5000114.2A308P306-A308 PolarHBondContact O-N 3.01Å
307D60Low75.3Confident158 Ų15880.1 Ų80.185%0.84541%0.405SS*.THydrogen-bonded Turntrans-79.312.1175.9-62.6-52.4000114.4G305 K309G305-D307 VanDerWaalsContact C-N 3.25Å; G305-D307 PolarHBondContact O-N 2.75Å; G305-D307 VanDerWaalsContact O-N 3.17Å; D307-K309 PolarHBondContact O-N 3.29Å
308A61.9Low74.8Confident18 Ų1878.1 Ų78.115%0.14940%0.402CS..PPolyproline II helixtrans-57.6122.4-176.900000112.3C304 G305 P306C304-A308 HydrophobicContact CB-CB 3.89Å; G305-A308 WeakPolarHBondContact O-CB 3.4Å; G305-A308 PolarHBondContact O-N 3.4Å; P306-A308 PolarHBondContact O-N 3.01Å
309K67.2Low74.2Confident178 Ų17878.8 Ų78.877%0.77441%0.405SS*.PPolyproline II helixtrans-56.5144170.9-68-179.5-178.4176.10109.5D307 W476D307-K309 PolarHBondContact O-N 3.29Å; K309-W476 PolarHBondContact O-NE1 2.96Å
310P68.6Low73.4Confident86 Ų8679.8 Ų79.856%0.55841%0.411SS*.PPolyproline II helixtrans-58.8144.9178.125.6-34.8000110.7
311V73Confident72.5Confident14 Ų1480.6 Ų80.69%0.08541%0.411CS..PPolyproline II helixtrans-50.6124.8-179.2-178.50000109.7K313 A315 K316 E475 W476 V479V311-K313 PolarHBondContact O-N 3.07Å; V311-A315 HydrophobicContact CG1-CB 4.06Å; V311-K316 HydrophobicContact CG1-CB 4.48Å; V311-E475 HydrophobicContact CG2-CB 3.92Å; V311-W476 HydrophobicContact CG2-CD2 3.74Å; V311-W476 HydrophobicContact CG2-CE3 4.25Å; V311-W476 HydrophobicContact CG2-CG 3.95Å; V311-W476 HydrophobicContact CG2-CZ2 4.27Å; V311-V479 HydrophobicContact CG1-CG2 4.19Å
312P78.4Confident72.2Confident46 Ų4688.3 Ų88.330%0.29944%0.44SS..PPolyproline II helixtrans-55.3139.3-179.2-27.634.8000112.2W314 A315 K316P312-W314 VanDerWaalsContact CB-CD1 3.5Å; P312-W314 HydrophobicContact CB-CG 4.22Å; P312-W314 VanDerWaalsContact CB-NE1 3.31Å; P312-W314 PolarHBondContact O-N 3.42Å; P312-W314 VanDerWaalsContact O-N 3.1Å; P312-A315 HydrophobicContact CB-CB 4.22Å; P312-A315 WeakPolarHBondContact O-CB 3.37Å; P312-A315 PolarHBondContact O-N 3.16Å; P312-K316 PolarHBondContact O-N 3.04Å
313K75Confident71.6Confident195 Ų19589.1 Ų89.185%0.84844%0.444SS*.Hα-helixtrans-55.8-32.6-178.5-65.8-176.1-179.5179.70112.9V311 K317V311-K313 PolarHBondContact O-N 3.07Å; K313-K317 PolarHBondContact O-N 3.15Å
314W81Confident71Confident172 Ų17284.4 Ų84.465%0.65242%0.424SS*.Hα-helixtrans-67.2-44.9174.171.4-100.9000111.9P312 K316 K317 V318P312-W314 VanDerWaalsContact CB-CD1 3.5Å; P312-W314 HydrophobicContact CB-CG 4.22Å; P312-W314 VanDerWaalsContact CB-NE1 3.31Å; P312-W314 PolarHBondContact O-N 3.42Å; P312-W314 VanDerWaalsContact O-N 3.1Å; W314-K316 VanDerWaalsContact C-N 3.31Å; W314-K316 PolarHBondContact O-N 2.63Å; W314-K317 PolarHBondContact O-N 2.9Å; W314-K317 VanDerWaalsContact O-N 3.1Å; W314-V318 WeakPolarHBondContact O-CG2 3.44Å; W314-V318 PolarHBondContact O-N 2.86Å
315A73.3Confident70.7Confident4 Ų492.1 Ų92.13%0.03345%0.448CS..Hα-helixtrans-65.1-37.2-179.800000111.2V311 P312 K317 I319V311-A315 HydrophobicContact CG1-CB 4.06Å; P312-A315 HydrophobicContact CB-CB 4.22Å; P312-A315 WeakPolarHBondContact O-CB 3.37Å; P312-A315 PolarHBondContact O-N 3.16Å; A315-K317 VanDerWaalsContact C-N 3.31Å; A315-K317 PolarHBondContact O-N 3.44Å; A315-I319 HydrophobicContact CB-CD1 4.2Å; A315-I319 VanDerWaalsContact O-CB 3.32Å; A315-I319 WeakPolarHBondContact O-CB 3.33Å; A315-I319 PolarHBondContact O-N 2.96Å
316K74.9Confident71Confident88 Ų8896.5 Ų96.538%0.38346%0.46SS..Hα-helixtrans-63.5-33.6173.6-160.4161.2-166.91620112.8V311 P312 W314 L320 E475V311-K316 HydrophobicContact CG1-CB 4.48Å; P312-K316 PolarHBondContact O-N 3.04Å; W314-K316 VanDerWaalsContact C-N 3.31Å; W314-K316 PolarHBondContact O-N 2.63Å; K316-L320 HydrophobicContact CG-CD1 4.02Å; K316-L320 WeakPolarHBondContact O-CB 3.31Å; K316-E475 IonicContact NZ-OE1 3.64Å; K316-E475 PolarHBondContact NZ-OE1 2.77Å; K316-E475 IonicContact NZ-OE2 3.62Å; K316-E475 PolarHBondContact NZ-OE2 2.78Å
317K75.6Confident71.3Confident147 Ų14792 Ų9264%0.63943%0.431SS*.Hα-helixtrans-81.1-41.7177-159.3172.1-172.8177.60112.7K313 W314 A315 Q321 Y322K313-K317 PolarHBondContact O-N 3.15Å; W314-K317 PolarHBondContact O-N 2.9Å; W314-K317 VanDerWaalsContact O-N 3.1Å; A315-K317 VanDerWaalsContact C-N 3.31Å; A315-K317 PolarHBondContact O-N 3.44Å; K317-Q321 WeakPolarHBondContact O-CB 3.28Å; K317-Y322 PolarHBondContact O-N 2.75Å
318V77.4Confident71.2Confident72 Ų7293 Ų9344%0.43643%0.428SS..Iπ-helixtrans-75.1-54.1-178.4175.60000111.4W314 Y322 M323W314-V318 WeakPolarHBondContact O-CG2 3.44Å; W314-V318 PolarHBondContact O-N 2.86Å; V318-Y322 WeakPolarHBondContact O-CA 3.4Å; V318-Y322 WeakPolarHBondContact O-CB 3.44Å; V318-Y322 PolarHBondContact O-N 2.92Å; V318-Y322 VanDerWaalsContact O-N 3.11Å; V318-M323 PolarHBondContact O-N 2.87Å
319I76.1Confident71Confident14 Ų1494.4 Ų94.47%0.07243%0.434CS..Iπ-helixtrans-78.8-57.2-171.2-52.5174000110.4A315 Q321 M323 A324 V479 V482 L483A315-I319 HydrophobicContact CB-CD1 4.2Å; A315-I319 VanDerWaalsContact O-CB 3.32Å; A315-I319 WeakPolarHBondContact O-CB 3.33Å; A315-I319 PolarHBondContact O-N 2.96Å; I319-Q321 VanDerWaalsContact C-N 3.34Å; I319-Q321 PolarHBondContact O-N 2.88Å; I319-M323 HydrophobicContact CB-SD 4.27Å; I319-M323 HydrophobicContact CG1-SD 3.99Å; I319-M323 HydrophobicContact CG2-SD 4.23Å; I319-M323 WeakPolarHBondContact O-CB 3.44Å; I319-M323 PolarHBondContact O-N 3.23Å; I319-A324 PolarHBondContact O-N 3.37Å; I319-V479 HydrophobicContact CD1-CG1 3.74Å; I319-V479 HydrophobicContact CG2-CG1 4.28Å; I319-V482 HydrophobicContact CG2-CB 3.96Å; I319-V482 HydrophobicContact CG2-CG1 3.72Å; I319-L483 HydrophobicContact CD1-CD1 4.35Å; I319-L483 HydrophobicContact CD1-CD2 4.11Å; I319-L483 HydrophobicContact CD1-CG 4.38Å; I319-L483 HydrophobicContact CG1-CD2 4.4Å; I319-L483 HydrophobicContact CG2-CD2 4.17Å; I319-L483 HydrophobicContact CG2-CG 4.18Å
320L68.8Low70Confident47 Ų4794.9 Ų94.925%0.24643%0.432CS..Iπ-helixtrans-75.2-18-174.6-73.2159.7000114.2K316 A324 K478 V479 V482K316-L320 HydrophobicContact CG-CD1 4.02Å; K316-L320 WeakPolarHBondContact O-CB 3.31Å; L320-A324 WeakPolarHBondContact O-CB 3.49Å; L320-K478 HydrophobicContact CD2-CB 4.07Å; L320-V479 HydrophobicContact CD1-CG2 3.86Å; L320-V479 HydrophobicContact CG-CG2 4.12Å; L320-V482 HydrophobicContact CD2-CG2 4.42Å
321Q68.8Low69Low131 Ų13196.2 Ų96.261%0.61243%0.431SS*.Iπ-helixtrans-110.6-39.2-178.2-130.9177.39.200113.8K317 I319K317-Q321 WeakPolarHBondContact O-CB 3.28Å; I319-Q321 VanDerWaalsContact C-N 3.34Å; I319-Q321 PolarHBondContact O-N 2.88Å
322Y74.2Confident67.3Low185 Ų185102.6 Ų102.673%0.72547%0.47SS*.Iπ-helixtrans-92.7-53.2-179.2-142.9-93.3000111.6K317 V318 R325 M326K317-Y322 PolarHBondContact O-N 2.75Å; V318-Y322 WeakPolarHBondContact O-CA 3.4Å; V318-Y322 WeakPolarHBondContact O-CB 3.44Å; V318-Y322 PolarHBondContact O-N 2.92Å; V318-Y322 VanDerWaalsContact O-N 3.11Å; Y322-R325 PolarHBondContact O-N 3.18Å; Y322-M326 PolarHBondContact O-N 2.71Å; Y322-M326 VanDerWaalsContact O-N 3.15Å
323M71.8Confident65.3Low26 Ų26102.8 Ų102.813%0.12848%0.48CS..Iπ-helixtrans-71.4-41.1-177.1-59.6175.16500112.8V318 I319 R325 M326 C327 V482 L483 F486V318-M323 PolarHBondContact O-N 2.87Å; I319-M323 HydrophobicContact CB-SD 4.27Å; I319-M323 HydrophobicContact CG1-SD 3.99Å; I319-M323 HydrophobicContact CG2-SD 4.23Å; I319-M323 WeakPolarHBondContact O-CB 3.44Å; I319-M323 PolarHBondContact O-N 3.23Å; M323-R325 PolarHBondContact O-N 3.33Å; M323-M326 PolarHBondContact O-N 3.46Å; M323-M326 VanDerWaalsContact O-N 3.09Å; M323-C327 PolarHBondContact O-N 2.93Å; M323-C327 PolarHBondContact O-SG 3.28Å; M323-V482 HydrophobicContact CB-CG1 3.95Å; M323-L483 HydrophobicContact CE-CD2 3.82Å; M323-L483 HydrophobicContact SD-CD2 4.23Å; M323-F486 HydrophobicContact CE-CB 3.5Å; M323-F486 HydrophobicContact CE-CD1 3.4Å; M323-F486 HydrophobicContact CE-CD2 3.7Å; M323-F486 HydrophobicContact CE-CE1 3.99Å; M323-F486 HydrophobicContact CE-CE2 4.25Å; M323-F486 HydrophobicContact CE-CG 3.23Å; M323-F486 HydrophobicContact CE-CZ 4.38Å
324A68.9Low63.3Low12 Ų12102 Ų10210%0.09948%0.479CS..Hα-helixtrans-57-39.4176.600000112.4I319 L320 F328 V329 V482I319-A324 PolarHBondContact O-N 3.37Å; L320-A324 WeakPolarHBondContact O-CB 3.49Å; A324-F328 PolarHBondContact O-N 3.41Å; A324-V329 PolarHBondContact O-N 3.47Å; A324-V482 HydrophobicContact CB-CG1 4.11Å; A324-V482 HydrophobicContact CB-CG2 4.12Å
325R69.4Low60.8Low199 Ų19999.6 Ų99.675%0.75148%0.48SS*.Hα-helixtrans-71.1-34176.5-168.6172-176.1155.81.7112.9Y322 M323Y322-R325 PolarHBondContact O-N 3.18Å; M323-R325 PolarHBondContact O-N 3.33Å
326M70.3Confident58.9Low132 Ų132106 Ų10665%0.6552%0.522SS*.Hα-helixtrans-71.4-35.8175.2-174.3178.817700112.6Y322 M323 F486Y322-M326 PolarHBondContact O-N 2.71Å; Y322-M326 VanDerWaalsContact O-N 3.15Å; M323-M326 PolarHBondContact O-N 3.46Å; M323-M326 VanDerWaalsContact O-N 3.09Å; M326-F486 HydrophobicContact SD-CE2 4.32Å
327C62Low56.9Low9 Ų9110.1 Ų110.16%0.06155%0.545CS..THydrogen-bonded Turntrans-94.310.3-175.2-61.60000114.5M323 V329 R485 F486M323-C327 PolarHBondContact O-N 2.93Å; M323-C327 PolarHBondContact O-SG 3.28Å; C327-V329 HydrophobicContact CB-CG2 4.08Å; C327-V329 PolarHBondContact O-N 3.48Å; C327-V329 VanDerWaalsContact O-N 3.12Å; C327-R485 HydrophobicContact CB-CB 4.45Å; C327-R485 HydrophobicContact CB-CG 4.44Å; C327-F486 WeakPolarHBondContact SG-CA 3.5Å
328F59.6Low54.6Low179 Ų179107.1 Ų107.179%0.78554%0.543SS*.THydrogen-bonded Turntrans49.532.8-173.3-71-86.2000113.9A324 Y330A324-F328 PolarHBondContact O-N 3.41Å; F328-Y330 PolarHBondContact O-N 3.43Å
329V56.3Low52.5Low47 Ų47108.8 Ų108.829%0.28556%0.564SS.*  trans-83.169.8169.2-172.50000107.7A324 C327 V482 R485A324-V329 PolarHBondContact O-N 3.47Å; C327-V329 HydrophobicContact CB-CG2 4.08Å; C327-V329 PolarHBondContact O-N 3.48Å; C327-V329 VanDerWaalsContact O-N 3.12Å; V329-V482 HydrophobicContact CB-CG2 4.49Å; V329-V482 HydrophobicContact CG1-CG2 4.19Å; V329-R485 HydrophobicContact CG2-CB 3.74Å; V329-R485 HydrophobicContact CG2-CG 3.72Å
330Y46.4Very low50.1Low187 Ų187117.2 Ų117.273%0.73360%0.603SS**  trans-67.7140.1157.7-100-94.1000108.4F328 V332F328-Y330 PolarHBondContact O-N 3.43Å; Y330-V332 PolarHBondContact O-N 2.87Å
331E46.9Very low48.2Very low114 Ų114120.5 Ų120.553%0.53363%0.63SS.*  trans-71.277.8169.8-60-163134.700109.4G333 K478E331-G333 PolarHBondContact O-N 2.78Å; E331-K478 WeakPolarHBondContact OE1-CD 3.34Å; E331-K478 WeakPolarHBondContact OE1-CE 3.47Å; E331-K478 IonicContact OE1-NZ 2.65Å; E331-K478 PolarHBondContact OE1-NZ 3.2Å; E331-K478 IonicContact OE2-NZ 2.71Å; E331-K478 PolarHBondContact OE2-NZ 3.48Å
332V37.4Very low46.2Very low149 Ų149123.4 Ų123.490%0.90364%0.643SS**  trans-72.974.6157.6-175.10000106.3Y330Y330-V332 PolarHBondContact O-N 2.87Å
333G36.7Very low43.8Very low49 Ų49125.7 Ų125.751%0.50565%0.651SS.*  trans165.833.2-161.900000113.9E331E331-G333 PolarHBondContact O-N 2.78Å
334E32.7Very low41.5Very low178 Ų178133.4 Ų133.483%0.83269%0.687SS**SBendtrans-59.6134142.3-75.4-168.1131.600107.3C336E334-C336 PolarHBondContact O-N 3.33Å
335N30.1Very low39.4Very low123 Ų123141.7 Ų141.766%0.65872%0.723SS**  trans-63.6129.7-171.8-55.2-54.8000110.4M337N335-M337 PolarHBondContact O-N 3.07Å
336C32.8Very low37.4Very low138 Ų138138 Ų13893%0.93273%0.725SS**THydrogen-bonded Turntrans-66.218.7168.7-55.20000114.1E334E334-C336 PolarHBondContact O-N 3.33Å
337M32.3Very low35.4Very low175 Ų175136.1 Ų136.186%0.86273%0.73SS**THydrogen-bonded Turntrans-143.519.4-169-78.6-111.366.100113.6N335N335-M337 PolarHBondContact O-N 3.07Å
338S28.6Very low33.6Very low84 Ų84144.1 Ų144.159%0.58777%0.772SS**  trans-14167.7173.860.30000113.1E340S338-E340 PolarHBondContact O-N 2.87Å
339A31.8Very low32.1Very low107 Ų107142 Ų14288%0.88477%0.773SS**  trans-88.885.216100000109.4
340E27.4Very low30.5Very low190 Ų190144.1 Ų144.189%0.88879%0.79SS**  trans-153.4119.1154.1-126.3167.6-173.200110.4S338 E342S338-E340 PolarHBondContact O-N 2.87Å; E340-E342 PolarHBondContact O-N 3.15Å
341S27Very low29.4Very low117 Ų117142 Ų14282%0.81879%0.792SS**  trans-81.1100.8177179.60000108.6R343S341-R343 PolarHBondContact O-N 2.71Å
342E26.7Very low28.4Very low191 Ų191143 Ų14389%0.89381%0.805SS**  trans-66.698.2175-161.1168.6-147.200109.2E340 Q344E340-E342 PolarHBondContact O-N 3.15Å; E342-Q344 PolarHBondContact O-N 2.92Å
343R23.8Very low27.8Very low234 Ų234140.8 Ų140.888%0.88380%0.796SS**PPolyproline II helixtrans-69.8124-177.2-161.7-179.9-164.7176.84.5109S341 E345S341-R343 PolarHBondContact O-N 2.71Å; R343-E345 PolarHBondContact O-N 3.1Å
344Q24.8Very low27.2Very low188 Ų188144.7 Ų144.788%0.87982%0.815SS**PPolyproline II helixtrans-59.9121.7-178-71172.3-86.200112.3E342E342-Q344 PolarHBondContact O-N 2.92Å
345E24.2Very low26.8Very low185 Ų185142.7 Ų142.786%0.86482%0.815SS**PPolyproline II helixtrans-71.2130.7154.4-73.7-172.4124.600109.5R343R343-E345 PolarHBondContact O-N 3.1Å
346P27.8Very low26.7Very low122 Ų122145.2 Ų145.279%0.79283%0.825SS**PPolyproline II helixtrans-77.7141.8171.631.1-32.3000111.2
347A27.6Very low26.3Very low92 Ų92146.6 Ų146.676%0.7682%0.823SS**PPolyproline II helixtrans-69.1145.5-173.500000114.2V349A347-V349 PolarHBondContact O-N 3.01Å
348L25.2Very low26.1Very low178 Ų178141.5 Ų141.593%0.93282%0.816SS**PPolyproline II helixtrans-63.2118.8168.1-173.476.7000110.5
349V27.3Very low25.9Very low133 Ų133146.4 Ų146.481%0.80683%0.829SS**  trans-112.1135.3169.6179.10000109.2A347A347-V349 PolarHBondContact O-N 3.01Å
350S23.6Very low25.6Very low92 Ų92147.7 Ų147.764%0.64383%0.826SS**  trans-89.6143.6-174.2-179.30000112.9
351N23.7Very low25.6Very low144 Ų144144.1 Ų144.177%0.7782%0.82SS**  trans63.5124.8168.8-59.8-23.9000116.4
352T25.4Very low25.9Very low133 Ų133144.7 Ų144.782%0.81682%0.821SS**  -158.3166.666.4-51.10000111.4
353S23.8Very low25.7Very low103 Ų103139.2 Ų139.272%0.7282%0.816SS**  trans-49145.5-173.257.60000118.7
354C23.7Very low25.7Very low132 Ų132140 Ų14089%0.89282%0.819SS**  trans-156.5163.3131-103.60000112.7
355T24.8Very low25.7Very low136 Ų136139.1 Ų139.183%0.83482%0.815SS**  trans-86.6165.1-158.842.80000116.3
356M27.6Very low25.8Very low175 Ų175137.3 Ų137.386%0.86281%0.811SS**  trans-51.1138.6163.9-77.4-171.9173.700112.4
357N26.1Very low25.7Very low167 Ų167138.4 Ų138.489%0.89381%0.811SS**  -174146.8121.5-88.6-21.7000108.3
358G27.1Very low25.4Very low69 Ų69139.5 Ų139.571%0.71181%0.811SS**  trans-116.7153.7-176.600000113.1
359Q24.6Very low25.4Very low187 Ų187137.7 Ų137.787%0.87480%0.801SS**  trans-168.7123.2153.6-111.2163.6-47.500113.1
360V24.6Very low25.2Very low134 Ų134138.8 Ų138.881%0.81280%0.801SS**  trans57.4121.8130.8179.30000120.9
361C27.8Very low25.1Very low114 Ų114143.9 Ų143.977%0.7781%0.811SS**  trans-75.6166.7165-42.50000112
362P34.6Very low25Very low129 Ų129142.8 Ų142.884%0.83882%0.815SS**  -157.3149.980.738.5-17.9000119.4
363G22.4Very low24.9Very low76 Ų76140.1 Ų140.178%0.78481%0.814SS**  72.6126.2127.500000123.3
364R24.2Very low24.8Very low251 Ų251143.3 Ų143.395%0.94782%0.817SS**  -169.6157.2111.3-123.5175.6173145.6-1.8113.2
365E24.6Very low24.8Very low170 Ų170144 Ų14479%0.79481%0.807SS**  trans-101.7-171.1-174.2-66.2167.1111.200112.9
366D25.4Very low24.7Very low147 Ų147144.4 Ų144.479%0.78681%0.81SS**  trans80.4141.8163.9-44.3-34000117
367D24.9Very low24.4Very low145 Ų145141 Ų14178%0.77581%0.81SS**  cis-152.8170.11.8-155-8000111.5
368C21.7Very low24.3Very low115 Ų115137 Ų13778%0.77781%0.808SS**  trans-130.7124.7-178.3-164.50000111.9
369I25.1Very low24.1Very low140 Ų140138.8 Ų138.872%0.71881%0.809SS**  trans-128.2123.7-178.6-64.4-175.6000112.9
370I23.2Very low24Very low155 Ų155135.7 Ų135.780%0.79580%0.803SS**  trans-97.5145.1165.9-64.8171.7000108.9
371K22.7Very low24Very low199 Ų199135.5 Ų135.587%0.86580%0.796SS**  trans-138.4133.5157.1-81.8-167.9173.9-179.30111.9
372S20.6Very low23.8Very low121 Ų121134.8 Ų134.885%0.84679%0.788SS**  trans-106.5166.316560.70000110.3
373G23Very low23.3Very low77 Ų77136.4 Ų136.479%0.79479%0.785SS**  trans176.182.718000000115.4
374Q22.8Very low23.3Very low170 Ų170139 Ų13979%0.79478%0.777SS**  trans-47.4166.2156.8-99.5168.5-59.200113.9
375E22.5Very low23.3Very low146 Ų146135.8 Ų135.868%0.68277%0.765SS**  cis-171.9164.5-7.4-147165-120.900108.1
376T22.6Very low23.2Very low146 Ų146136.4 Ų136.490%0.89677%0.767SS**  179.5152129.421.70000111.8
377A22.9Very low23.1Very low104 Ų104136.8 Ų136.886%0.8676%0.764SS**  trans-121.6167.8-161.900000114.7
378G22.3Very low23Very low83 Ų83137.3 Ų137.386%0.85676%0.764SS**  trans-140124.7160.800000108.8
379S22.9Very low23Very low105 Ų105137.5 Ų137.573%0.73476%0.757SS**  trans-107.7167.7-165.855.90000113.9
380V23.4Very low22.8Very low123 Ų123138.7 Ų138.775%0.74576%0.76SS**  trans174.6101.2134.3149.80000106.1
381I24.5Very low22.7Very low130 Ų130138.2 Ų138.267%0.66776%0.758SS**  78.2124.281-76.3168.2000110.3
382T23.9Very low22.8Very low98 Ų98136.7 Ų136.760%0.60176%0.758SS**  cis-162.51439.417.90000109
383E23.2Very low23Very low163 Ų163135.9 Ų135.976%0.76275%0.752SS**  64.1143.683.2-62.1-179.3170.100114.3
384E23.2Very low23.4Very low132 Ų132138 Ų13862%0.61775%0.752SS**  cis-154151.4-2-117.7-168.9139.400107.6
385R23.6Very low23.5Very low183 Ų183137.9 Ų137.969%0.69176%0.756SS**  68.9137.1100.7-139.2170.8173.1171.5-3.7114.3
386E23.8Very low23.6Very low183 Ų183134.3 Ų134.386%0.85576%0.758SS**  -162.9-176.568-99.7-175.4164.500115.9
387E22.1Very low23.7Very low155 Ų155132.7 Ų132.772%0.72475%0.753SS**  trans-96.5153.8-165.4-79175.2108.800116.2
388M22.4Very low23.8Very low155 Ų155133.8 Ų133.876%0.76475%0.748SS**  trans67.4161.2138.3-142.7159.370.300123.1
389D21.7Very low23.8Very low120 Ų120134.9 Ų134.964%0.64274%0.743SS**  trans73.598.4164-65.9-33000123.8
390Q22.1Very low23.9Very low165 Ų165141.5 Ų141.577%0.77175%0.752SS**  45.5125.6104-145.3-178.9104.100120
391I21.7Very low23.8Very low145 Ų145143.1 Ų143.174%0.74476%0.756SS**  160.6140.1127.6-84.9162.2000116.2
392L22.9Very low24.4Very low166 Ų166141.6 Ų141.687%0.86976%0.755SS**  trans71.1114.4158.4-110.453.3000124.3
393S25.1Very low24.4Very low104 Ų104142.4 Ų142.473%0.72776%0.76SS**  trans-81.3170.5145.9-41.90000111.4
394P32.7Very low24.4Very low121 Ų121141.1 Ų141.179%0.78676%0.758SS**  -153.3-17190.944.6-26.8000112.6
395L24.7Very low24.3Very low169 Ų169142.1 Ų142.189%0.88576%0.763SS**  cis-146.8138.1-10.6-156.769.3000107.2
396G23.4Very low24.3Very low70 Ų70140.1 Ų140.172%0.72277%0.766SS**  98.5147.4103.100000113.3
397S25.5Very low24.3Very low113 Ų113136.3 Ų136.379%0.7976%0.759SS**  cis-159.3159.1-11.853.30000106.6
398V24.9Very low24.3Very low126 Ų126134.9 Ų134.976%0.76476%0.761SS**  -173.7111.373.4167.30000105.4
399S22.8Very low24.3Very low107 Ų107139 Ų13975%0.74877%0.768SS**  79.8102.182.7-164.40000117.3
400R25.1Very low24.3Very low244 Ų244143.7 Ų143.792%0.92178%0.777SS**  -169.8148.8110.1-102.9177.4174.7176.8-1.4112.3
401N21.1Very low24.4Very low156 Ų156142 Ų14283%0.83477%0.774SS**  trans-154.1-176.6-173.8-132.41.6000106.5
402P36.6Very low24.7Very low99 Ų99138.7 Ų138.764%0.64378%0.775SS**  cis-124-173.3-14.125.90.4000110.6
403T23.7Very low24.9Very low115 Ų115138.2 Ų138.271%0.70677%0.771SS**  -170.9145.653.239.90000114.4
404N22.6Very low24.7Very low135 Ų135142.6 Ų142.672%0.72278%0.778SS**  trans72106137.1-676.5000123.8
405H21.7Very low24.4Very low154 Ų154142.8 Ų142.871%0.71377%0.772SS**  85.1135.9120-91.2-82.5000123
406N23Very low24.3Very low140 Ų140142.5 Ų142.575%0.74977%0.771SS**  trans71.8151.9152-63.4-4000116.9
407S24.1Very low24.3Very low103 Ų103144.4 Ų144.472%0.7277%0.772SS**  cis-165.9168-1644.80000109.6
408T21.7Very low24.2Very low125 Ų125142.3 Ų142.377%0.76777%0.768SS**  trans-60.7135175.244.80000115
409W23Very low24.1Very low241 Ų241145.6 Ų145.691%0.91378%0.775SS**  trans32.9117.8143.5-7188.7000120.8
410R21.1Very low24.2Very low219 Ų219146.2 Ų146.283%0.82678%0.78SS**  -162.5145.7129.1-116.6-175.1-174.3-130-1.4114.6
411N24.6Very low24.2Very low131 Ų131138 Ų13870%0.70177%0.771SS**  trans49.5112.4153.9-61.92.4000119.1
412G28.4Very low24.4Very low74 Ų74138.6 Ų138.676%0.76377%0.774SS**  trans-80.2154.317200000114
413I26.8Very low24.3Very low156 Ų156139.3 Ų139.380%0.878%0.778SS**  -165.1126.1124-88.2149.5000105.5
414F20.9Very low24.5Very low197 Ų197141.1 Ų141.186%0.86479%0.789SS**  trans-155.2145.7137.3-147.1-109.4000110.3
415L26.2Very low24.7Very low125 Ų125144.3 Ų144.365%0.65479%0.791SS**  trans-77.3159172.8-71.377.3000109.4
416D22.4Very low24.9Very low163 Ų163143.2 Ų143.287%0.87280%0.799SS**  trans-139.6153.3134.7-153.10.5000111
417C23.8Very low25Very low109 Ų109146.2 Ų146.274%0.73680%0.8SS**  trans-107.7154.5-171.5-73.90000111.6
418G23.3Very low25.2Very low69 Ų69151 Ų15171%0.71181%0.808SS**  trans174.392167.200000114.7
419E23.4Very low25.4Very low196 Ų196148.8 Ų148.892%0.91681%0.81SS**  trans45.5138148.3-64-173.8134.300120.3
420S25Very low25.5Very low120 Ų120141 Ų14184%0.83980%0.804SS**  cis-167.9166.311.8440000110.3
421G24.4Very low25.9Very low72 Ų72137.7 Ų137.774%0.74281%0.809SS**  trans122.773.8156.100000120.1
422D26.2Very low26Very low168 Ų168135.7 Ų135.790%0.89881%0.805SS**  trans54.1156.1145.7-81.5-23.5000124.3
423P34Very low26Very low113 Ų113138.8 Ų138.873%0.73480%0.804SS**  trans-108.3150.3-153.739.2-33.1000115.9
424V28.6Very low26.2Very low153 Ų153138 Ų13893%0.92781%0.806SS**  trans-115.3131.8164.3-178.70000111.9
425R25.3Very low26.6Very low202 Ų202136.1 Ų136.176%0.76280%0.8SS**  trans-89.5131.7-165.1179.8-165.9-143.9163.38112.4
426C26.9Very low26.8Very low132 Ų132140.6 Ų140.689%0.89281%0.808SS**  trans-123111.9157.1-85.90000111.9
427R24.7Very low27.4Very low203 Ų203141.5 Ų141.577%0.76680%0.804SS**  trans-63.7158.4157.4-83.4171.4161.1170.3-7.4108.5
428K28.3Very low27.6Very low202 Ų202143.4 Ų143.488%0.87881%0.807SS**  cis-151.9144.331-123.4161.3179-175.40106.4
429G25.7Very low28.2Very low79 Ų79147 Ų14781%0.81481%0.81SS**  72.2121.991.200000111.9
430G26.1Very low28.5Very low77 Ų77149.1 Ų149.179%0.79481%0.809SS**  cis137114.411.200000108.8
431V29Very low29.1Very low151 Ų151151.6 Ų151.692%0.91581%0.812SS**  trans-136.4138.7168.5178.70000106.8
432S27.3Very low29.3Very low88 Ų88153.4 Ų153.462%0.61581%0.813SS**  trans-106.6173.8-169.948.60000112.8
433D27.1Very low29.8Very low140 Ų140150.3 Ų150.375%0.74980%0.804SS**  trans100.4113.2143.5-63.6-43.3000121.5
434V30.7Very low29.7Very low139 Ų139151 Ų15184%0.84280%0.802SS**  trans108.6129.8134.81710000119.2
435E30Very low30.2Very low157 Ų157150.6 Ų150.673%0.73480%0.8SS**  trans-58.8166.5174.1-53.6171.3104.300111.8
436R29.8Very low31.1Very low219 Ų219150.1 Ų150.183%0.82680%0.799SS**  cis-174.5164.348.7-159.3176.9-173.6117-6.3110.6
437K34.9Very low32.2Very low182 Ų182147.7 Ų147.779%0.79178%0.782SS**  trans-56.2149172-68.8178.4163.4-174.10113.8
438D28.5Very low33.4Very low149 Ų149144.9 Ų144.980%0.79778%0.782SS**  -176163.6100.7-94.9-18.4000113.6
439D36.6Very low34.7Very low144 Ų144139.1 Ų139.177%0.7776%0.761SS**  trans-64.1142.1-170-71.2-56.6000116.1
440R28.5Very low36.4Very low241 Ų241137.8 Ų137.891%0.90975%0.748SS**  -163.3130.9127.6-118.9159.7-77.8-150-0.6113.9S442R440-S442 PolarHBondContact O-N 2.89Å
441I39.3Very low38.5Very low173 Ų173137.6 Ų137.689%0.88773%0.733SS**  trans-68.5125.9169.6-63.5168.1000108.7
442S28.6Very low40.6Very low109 Ų109135.4 Ų135.476%0.76272%0.715SS**  trans-137.8122.1155.7-168.10000108.9R440 N444R440-S442 PolarHBondContact O-N 2.89Å; S442-N444 PolarHBondContact O-N 3.24Å
443S35.7Very low43Very low104 Ų104136.4 Ų136.473%0.72771%0.713SS**  trans-69.8112.7178.651.20000110.4
444N31.3Very low45.4Very low128 Ų128135.2 Ų135.268%0.68470%0.703SS**  trans-142.8111.3153.6-102.4-22.8000108.8S442 Y446S442-N444 PolarHBondContact O-N 3.24Å; N444-Y446 HydrophobicContact CB-CD2 4.06Å; N444-Y446 HydrophobicContact CB-CE2 4.14Å; N444-Y446 PolarHBondContact O-N 2.99Å
445T40.3Very low47.9Very low144 Ų144133 Ų13388%0.88369%0.686SS**  trans-73.376.3173.7-49.80000109.3
446Y43.7Very low50.6Low191 Ų191130.5 Ų130.575%0.74968%0.676SS**  trans-79.8123152.5-75.7-84.8000106.9N444 N448N444-Y446 HydrophobicContact CB-CD2 4.06Å; N444-Y446 HydrophobicContact CB-CE2 4.14Å; N444-Y446 PolarHBondContact O-N 2.99Å; Y446-N448 PolarHBondContact O-N 2.97Å
447P49.1Very low53.3Low82 Ų82125.9 Ų125.953%0.53266%0.664SS.*  trans-60138.6168.229.3-34.7000107.8D449P447-D449 VanDerWaalsContact CG-OD2 3.25Å; P447-D449 WeakPolarHBondContact CG-OD2 3.45Å; P447-D449 PolarHBondContact O-N 3.21Å
448N51.6Low55.8Low144 Ų144124.3 Ų124.377%0.7765%0.654SS**  trans-79.858-176.6-1577.8000109.6Y446 G450 P451Y446-N448 PolarHBondContact O-N 2.97Å; N448-G450 VanDerWaalsContact C-N 3.33Å; N448-G450 PolarHBondContact O-N 3.16Å; N448-P451 VanDerWaalsContact O-CD 3.3Å; N448-P451 WeakPolarHBondContact O-CD 3.36Å; N448-P451 WeakPolarHBondContact O-CG 3.32Å
449D54.7Low58.6Low80 Ų80122.5 Ų122.543%0.42864%0.644SS.*  trans-78-17.2-169-75.6-17.3000112.7P447 L452 L453P447-D449 VanDerWaalsContact CG-OD2 3.25Å; P447-D449 WeakPolarHBondContact CG-OD2 3.45Å; P447-D449 PolarHBondContact O-N 3.21Å; D449-L452 PolarHBondContact O-N 2.86Å; D449-L453 VanDerWaalsContact O-CB 3.3Å; D449-L453 WeakPolarHBondContact O-CB 3.43Å; D449-L453 PolarHBondContact O-N 2.61Å
450G61.6Low61Low52 Ų52117.5 Ų117.554%0.53662%0.622SS.*Hα-helixtrans-44-56.6177.400000114.6N448 L452 H454N448-G450 VanDerWaalsContact C-N 3.33Å; N448-G450 PolarHBondContact O-N 3.16Å; G450-L452 PolarHBondContact O-N 2.77Å; G450-H454 VanDerWaalsContact O-CB 3.22Å; G450-H454 WeakPolarHBondContact O-CB 3.23Å; G450-H454 PolarHBondContact O-N 2.9Å
451P69.5Low63.8Low73 Ų73110.4 Ų110.447%0.47460%0.603SS.*Hα-helixtrans-65.3-31.5176.124.3-35.5000114.2N448 N455N448-P451 VanDerWaalsContact O-CD 3.3Å; N448-P451 WeakPolarHBondContact O-CD 3.36Å; N448-P451 WeakPolarHBondContact O-CG 3.32Å; P451-N455 WeakPolarHBondContact O-CB 3.48Å; P451-N455 PolarHBondContact O-N 3.05Å; P451-N455 PolarHBondContact O-ND2 3.28Å; P451-N455 PolarHBondContact O-OD1 2.63Å
452L73.7Confident65.9Low104 Ų104104.9 Ų104.955%0.54558%0.579SS.*Hα-helixtrans-76.7-40.1-178.6-167.1136.5000111.3D449 G450 N455 I456D449-L452 PolarHBondContact O-N 2.86Å; G450-L452 PolarHBondContact O-N 2.77Å; L452-N455 PolarHBondContact O-N 2.78Å; L452-I456 HydrophobicContact CD2-CD1 3.69Å; L452-I456 WeakPolarHBondContact O-CG1 3.21Å; L452-I456 PolarHBondContact O-N 2.87Å
453L77.2Confident68.6Low110 Ų110106.8 Ų106.858%0.57657%0.57SS**Hα-helixtrans-68.6-39.7174.7-152148.6000110.6D449 N455 I456 E457D449-L453 VanDerWaalsContact O-CB 3.3Å; D449-L453 WeakPolarHBondContact O-CB 3.43Å; D449-L453 PolarHBondContact O-N 2.61Å; L453-N455 PolarHBondContact O-N 2.97Å; L453-I456 PolarHBondContact O-N 3.46Å; L453-E457 WeakPolarHBondContact O-CB 3.49Å; L453-E457 PolarHBondContact O-N 3.48Å
454H78.3Confident71Confident115 Ų115109.3 Ų109.353%0.53256%0.564SS.*Hα-helixtrans-60.6-41169.1178.7-85.3000112.6G450 E457 Y458G450-H454 VanDerWaalsContact O-CB 3.22Å; G450-H454 WeakPolarHBondContact O-CB 3.23Å; G450-H454 PolarHBondContact O-N 2.9Å; H454-E457 PolarHBondContact O-N 2.71Å; H454-Y458 VanDerWaalsContact O-CB 3.26Å; H454-Y458 WeakPolarHBondContact O-CB 3.45Å; H454-Y458 PolarHBondContact O-N 3.4Å
455N83.4Confident73.4Confident91 Ų91107.9 Ų107.949%0.48756%0.556SS.*Hα-helixtrans-67.3-40.2176.3-72.8-17.4000112.2P451 L452 L453 Y458 I459P451-N455 WeakPolarHBondContact O-CB 3.48Å; P451-N455 PolarHBondContact O-N 3.05Å; P451-N455 PolarHBondContact O-ND2 3.28Å; P451-N455 PolarHBondContact O-OD1 2.63Å; L452-N455 PolarHBondContact O-N 2.78Å; L453-N455 PolarHBondContact O-N 2.97Å; N455-Y458 PolarHBondContact O-N 2.78Å; N455-I459 WeakPolarHBondContact O-CB 3.48Å; N455-I459 WeakPolarHBondContact O-CD1 3.35Å; N455-I459 WeakPolarHBondContact O-CG1 3.46Å; N455-I459 PolarHBondContact O-N 3.34Å
456I87.4Confident75.3Confident105 Ų105107.1 Ų107.154%0.53854%0.542SS..Hα-helixtrans-65-43.2174.2-69.4168.6000110.6L452 L453 I459 A460L452-I456 HydrophobicContact CD2-CD1 3.69Å; L452-I456 WeakPolarHBondContact O-CG1 3.21Å; L452-I456 PolarHBondContact O-N 2.87Å; L453-I456 PolarHBondContact O-N 3.46Å; I456-I459 PolarHBondContact O-N 3.4Å; I456-A460 VanDerWaalsContact O-CB 3.29Å; I456-A460 WeakPolarHBondContact O-CB 3.35Å; I456-A460 PolarHBondContact O-N 3.04Å
457E85.3Confident77.1Confident122 Ų122106.2 Ų106.257%0.5754%0.538SS*.Hα-helixtrans-63.5-43.3176.4-174.8169.1-15800111.5L453 H454 A460 N461L453-E457 WeakPolarHBondContact O-CB 3.49Å; L453-E457 PolarHBondContact O-N 3.48Å; H454-E457 PolarHBondContact O-N 2.71Å; E457-A460 PolarHBondContact O-N 3.38Å; E457-N461 WeakPolarHBondContact O-CB 2.9Å; E457-N461 PolarHBondContact O-N 3.02Å
458Y87.6Confident78.5Confident149 Ų149104.1 Ų104.158%0.58453%0.527SS*.Hα-helixtrans-60.2-47.5174.1-178.7-96.8000112.1H454 N455 A460 N461 C462H454-Y458 VanDerWaalsContact O-CB 3.26Å; H454-Y458 WeakPolarHBondContact O-CB 3.45Å; H454-Y458 PolarHBondContact O-N 3.4Å; N455-Y458 PolarHBondContact O-N 2.78Å; Y458-A460 PolarHBondContact O-N 3.23Å; Y458-N461 PolarHBondContact O-N 3.37Å; Y458-C462 WeakPolarHBondContact O-CB 3.17Å; Y458-C462 PolarHBondContact O-N 2.81Å
459I87.8Confident79.6Confident111 Ų11198.7 Ų98.757%0.56950%0.499SS*.Hα-helixtrans-61.5-44176.2-69.5163.8000110.6N455 I456 N461 C462 Y463N455-I459 WeakPolarHBondContact O-CB 3.48Å; N455-I459 WeakPolarHBondContact O-CD1 3.35Å; N455-I459 WeakPolarHBondContact O-CG1 3.46Å; N455-I459 PolarHBondContact O-N 3.34Å; I456-I459 PolarHBondContact O-N 3.4Å; I459-N461 VanDerWaalsContact C-N 3.34Å; I459-N461 PolarHBondContact O-N 2.87Å; I459-C462 PolarHBondContact O-N 2.98Å; I459-Y463 VanDerWaalsContact O-CB 3.31Å; I459-Y463 WeakPolarHBondContact O-CB 3.21Å; I459-Y463 PolarHBondContact O-N 2.88Å
460A86.6Confident80.7Confident39 Ų39101.3 Ų101.332%0.32251%0.509SS..Hα-helixtrans-64.3-37.2177.900000112.4I456 E457 Y458 R464I456-A460 VanDerWaalsContact O-CB 3.29Å; I456-A460 WeakPolarHBondContact O-CB 3.35Å; I456-A460 PolarHBondContact O-N 3.04Å; E457-A460 PolarHBondContact O-N 3.38Å; Y458-A460 PolarHBondContact O-N 3.23Å; A460-R464 WeakPolarHBondContact O-CG 3.31Å; A460-R464 PolarHBondContact O-N 2.87Å
461N86.8Confident81.4Confident93 Ų93106.1 Ų106.150%0.49752%0.515SS..Hα-helixtrans-74-42.5177.9-131.219.6000111.9E457 Y458 I459 Y463 R464 D465E457-N461 WeakPolarHBondContact O-CB 2.9Å; E457-N461 PolarHBondContact O-N 3.02Å; Y458-N461 PolarHBondContact O-N 3.37Å; I459-N461 VanDerWaalsContact C-N 3.34Å; I459-N461 PolarHBondContact O-N 2.87Å; N461-Y463 VanDerWaalsContact C-N 3.32Å; N461-Y463 PolarHBondContact O-N 3.47Å; N461-R464 PolarHBondContact O-N 2.85Å; N461-R464 PolarHBondContact OD1-NH1 3.05Å; N461-D465 PolarHBondContact O-N 2.92Å
462C84.9Confident81.8Confident57 Ų57107.7 Ų107.739%0.38551%0.512SS..Hα-helixtrans-56.5-45.1169.5-870000111.5Y458 I459 D465 Q466Y458-C462 WeakPolarHBondContact O-CB 3.17Å; Y458-C462 PolarHBondContact O-N 2.81Å; I459-C462 PolarHBondContact O-N 2.98Å; C462-D465 PolarHBondContact O-N 3.44Å; C462-Q466 VanDerWaalsContact O-CB 3.25Å; C462-Q466 WeakPolarHBondContact O-CB 3.17Å; C462-Q466 PolarHBondContact O-N 2.93Å
463Y85.1Confident81.9Confident148 Ų148104.8 Ų104.858%0.5850%0.498SS*.Hα-helixtrans-65.3-39177.9-169.9-97.3000112.3I459 N461 R467I459-Y463 VanDerWaalsContact O-CB 3.31Å; I459-Y463 WeakPolarHBondContact O-CB 3.21Å; I459-Y463 PolarHBondContact O-N 2.88Å; N461-Y463 VanDerWaalsContact C-N 3.32Å; N461-Y463 PolarHBondContact O-N 3.47Å; Y463-R467 VanDerWaalsContact O-CB 3.28Å; Y463-R467 WeakPolarHBondContact O-CB 3.26Å; Y463-R467 PolarHBondContact O-N 2.86Å
464R84.6Confident81.9Confident157 Ų157101 Ų10159%0.59249%0.486SS*.Hα-helixtrans-62.1-45.3172.1-80.5-170.8-145.9117-0.2112.3A460 N461 R467 A468A460-R464 WeakPolarHBondContact O-CG 3.31Å; A460-R464 PolarHBondContact O-N 2.87Å; N461-R464 PolarHBondContact O-N 2.85Å; N461-R464 PolarHBondContact OD1-NH1 3.05Å; R464-R467 PolarHBondContact O-N 2.97Å; R464-A468 WeakPolarHBondContact O-CB 3.43Å; R464-A468 PolarHBondContact O-N 2.87Å
465D82.1Confident82Confident99 Ų9998.1 Ų98.153%0.52947%0.473SS..Hα-helixtrans-70.2-38.4-178.4-165.355000111.7N461 C462 R467 A468 T469N461-D465 PolarHBondContact O-N 2.92Å; C462-D465 PolarHBondContact O-N 3.44Å; D465-R467 PolarHBondContact O-N 3.39Å; D465-A468 PolarHBondContact O-N 2.92Å; D465-T469 WeakPolarHBondContact O-CG2 3.5Å; D465-T469 PolarHBondContact O-N 2.92Å; D465-T469 PolarHBondContact O-OG1 2.87Å
466Q80.3Confident81.9Confident127 Ų12795.7 Ų95.759%0.59346%0.457SS*.Hα-helixtrans-61.1-41.8170.6-166.3175.912.200111.7C462 T469 Q470C462-Q466 VanDerWaalsContact O-CB 3.25Å; C462-Q466 WeakPolarHBondContact O-CB 3.17Å; C462-Q466 PolarHBondContact O-N 2.93Å; Q466-T469 WeakPolarHBondContact CA-OG1 3.44Å; Q466-T469 PolarHBondContact O-OG1 2.73Å; Q466-Q470 WeakPolarHBondContact O-CB 3.21Å; Q466-Q470 PolarHBondContact O-N 3.36Å
467R81.9Confident81.7Confident173 Ų17394.1 Ų94.165%0.65345%0.446SS*.Hα-helixtrans-68.7-33.3174.9-160.7174.6-171.8-164.12.7112Y463 R464 D465 K471Y463-R467 VanDerWaalsContact O-CB 3.28Å; Y463-R467 WeakPolarHBondContact O-CB 3.26Å; Y463-R467 PolarHBondContact O-N 2.86Å; R464-R467 PolarHBondContact O-N 2.97Å; D465-R467 PolarHBondContact O-N 3.39Å; R467-K471 WeakPolarHBondContact O-CB 3.47Å; R467-K471 PolarHBondContact O-N 3.41Å
468A77.5Confident81.6Confident37 Ų3792.9 Ų92.931%0.30644%0.438SS..Hα-helixtrans-71.5-43.8176.500000112.4R464 D465 K471 R472R464-A468 WeakPolarHBondContact O-CB 3.43Å; R464-A468 PolarHBondContact O-N 2.87Å; D465-A468 PolarHBondContact O-N 2.92Å; A468-K471 PolarHBondContact O-N 3.23Å; A468-R472 WeakPolarHBondContact O-CG 3.24Å; A468-R472 PolarHBondContact O-N 2.93Å
469T76.2Confident81.4Confident31 Ų3185.9 Ų85.919%0.1941%0.411CS..Hα-helixtrans-65.8-42.7173.849.80000111.2D465 Q466 K471 R472 T473D465-T469 WeakPolarHBondContact O-CG2 3.5Å; D465-T469 PolarHBondContact O-N 2.92Å; D465-T469 PolarHBondContact O-OG1 2.87Å; Q466-T469 WeakPolarHBondContact CA-OG1 3.44Å; Q466-T469 PolarHBondContact O-OG1 2.73Å; T469-K471 VanDerWaalsContact C-N 3.31Å; T469-K471 PolarHBondContact O-N 2.86Å; T469-R472 PolarHBondContact O-N 3.07Å; T469-R472 VanDerWaalsContact O-N 3.14Å; T469-T473 PolarHBondContact O-N 2.9Å; T469-T473 PolarHBondContact O-OG1 2.76Å; T469-T473 VanDerWaalsContact O-OG1 3.12Å
470Q76.1Confident81.2Confident134 Ų13480.6 Ų80.663%0.62638%0.384SS*.Hα-helixtrans-60.5-36.8173-169.6178.38.400112.7Q466 T473 G474Q466-Q470 WeakPolarHBondContact O-CB 3.21Å; Q466-Q470 PolarHBondContact O-N 3.36Å; Q470-T473 WeakPolarHBondContact CA-OG1 3.27Å; Q470-T473 PolarHBondContact O-OG1 2.73Å; Q470-T473 VanDerWaalsContact O-OG1 3.13Å; Q470-G474 PolarHBondContact O-N 3.37Å
471K77Confident81.1Confident154 Ų15485 Ų8567%0.6740%0.396SS*.Hα-helixtrans-67.6-40.1173.8-168.3170.7-175.9172.40111.9R467 A468 T469 G474 E475R467-K471 WeakPolarHBondContact O-CB 3.47Å; R467-K471 PolarHBondContact O-N 3.41Å; A468-K471 PolarHBondContact O-N 3.23Å; T469-K471 VanDerWaalsContact C-N 3.31Å; T469-K471 PolarHBondContact O-N 2.86Å; K471-G474 PolarHBondContact O-N 2.87Å; K471-E475 PolarHBondContact O-N 2.71Å
472R77.3Confident81Confident106 Ų10680.8 Ų80.840%0.437%0.374SS..Hα-helixtrans-66-46.9176.4-70.4175.4-167.1168.59.6112.2A468 T469 G474 E475 W476A468-R472 WeakPolarHBondContact O-CG 3.24Å; A468-R472 PolarHBondContact O-N 2.93Å; T469-R472 PolarHBondContact O-N 3.07Å; T469-R472 VanDerWaalsContact O-N 3.14Å; R472-G474 VanDerWaalsContact C-N 3.3Å; R472-G474 PolarHBondContact O-N 2.88Å; R472-E475 PolarHBondContact O-N 3.27Å; R472-W476 PolarHBondContact O-N 3.1Å; R472-W476 VanDerWaalsContact O-N 3.1Å
473T76.4Confident81.1Confident43 Ų4378.8 Ų78.826%0.26436%0.359SS..Hα-helixtrans-65.1-36.1176.253.30000111.2T469 Q470 E475 W476 K477T469-T473 PolarHBondContact O-N 2.9Å; T469-T473 PolarHBondContact O-OG1 2.76Å; T469-T473 VanDerWaalsContact O-OG1 3.12Å; Q470-T473 WeakPolarHBondContact CA-OG1 3.27Å; Q470-T473 PolarHBondContact O-OG1 2.73Å; Q470-T473 VanDerWaalsContact O-OG1 3.13Å; T473-E475 PolarHBondContact O-N 2.88Å; T473-W476 PolarHBondContact O-N 3.35Å; T473-K477 WeakPolarHBondContact O-CG 3.46Å; T473-K477 PolarHBondContact O-N 2.83Å
474G77.8Confident81.2Confident30 Ų3072.4 Ų72.431%0.30934%0.335SS..Hα-helixtrans-57.1-44.7169.700000113.8Q470 K471 R472 K477 K478Q470-G474 PolarHBondContact O-N 3.37Å; K471-G474 PolarHBondContact O-N 2.87Å; R472-G474 VanDerWaalsContact C-N 3.3Å; R472-G474 PolarHBondContact O-N 2.88Å; G474-K477 PolarHBondContact O-N 2.94Å; G474-K478 WeakPolarHBondContact O-CG 3.4Å; G474-K478 PolarHBondContact O-N 3.4Å
475E80.1Confident81.3Confident55 Ų5569 Ų6926%0.25732%0.323SS..Hα-helixtrans-64.3-40.9174.8-69.3-164.617200112.4V311 K316 K471 R472 T473 K478 V479V311-E475 HydrophobicContact CG2-CB 3.92Å; K316-E475 IonicContact NZ-OE1 3.64Å; K316-E475 PolarHBondContact NZ-OE1 2.77Å; K316-E475 IonicContact NZ-OE2 3.62Å; K316-E475 PolarHBondContact NZ-OE2 2.78Å; K471-E475 PolarHBondContact O-N 2.71Å; R472-E475 PolarHBondContact O-N 3.27Å; T473-E475 PolarHBondContact O-N 2.88Å; E475-K478 PolarHBondContact O-N 2.87Å; E475-V479 WeakPolarHBondContact O-CG2 3.48Å; E475-V479 PolarHBondContact O-N 2.8Å
476W81.8Confident81.6Confident40 Ų4066.6 Ų66.615%0.15231%0.307CS..Hα-helixtrans-64.2-39.4174.5-79114.8000112.7I301 C304 K309 V311 R472 T473 K478 V479 A480I301-W476 HydrophobicContact CG2-CE3 3.63Å; I301-W476 HydrophobicContact CG2-CZ3 4.03Å; C304-W476 HydrophobicContact CB-CG 4.42Å; K309-W476 PolarHBondContact O-NE1 2.96Å; V311-W476 HydrophobicContact CG2-CD2 3.74Å; V311-W476 HydrophobicContact CG2-CE3 4.25Å; V311-W476 HydrophobicContact CG2-CG 3.95Å; V311-W476 HydrophobicContact CG2-CZ2 4.27Å; R472-W476 PolarHBondContact O-N 3.1Å; R472-W476 VanDerWaalsContact O-N 3.1Å; T473-W476 PolarHBondContact O-N 3.35Å; W476-K478 PolarHBondContact O-N 3.44Å; W476-V479 HydrophobicContact CE3-CG1 4.36Å; W476-V479 WeakPolarHBondContact O-CB 3.47Å; W476-V479 PolarHBondContact O-N 3.19Å; W476-A480 PolarHBondContact O-N 2.92Å
477K83.4Confident82Confident72 Ų7262.4 Ų62.431%0.31329%0.287SS..Hα-helixtrans-62.9-38.5172.4-72.9-160.7171.6-158.60112.3D242 H302 T473 G474 A480 K481D242-K477 IonicContact OD1-NZ 2.64Å; D242-K477 PolarHBondContact OD1-NZ 2.7Å; H302-K477 VanDerWaalsContact CE1-CE 3.42Å; H302-K477 WeakPolarHBondContact CE1-CE 3.26Å; H302-K477 PolarHBondContact CE1-NZ 3.39Å; H302-K477 WeakPolarHBondContact NE2-CD 3.35Å; H302-K477 WeakPolarHBondContact NE2-CE 3.34Å; T473-K477 WeakPolarHBondContact O-CG 3.46Å; T473-K477 PolarHBondContact O-N 2.83Å; G474-K477 PolarHBondContact O-N 2.94Å; K477-A480 PolarHBondContact O-N 2.99Å; K477-K481 WeakPolarHBondContact O-CG 3.37Å; K477-K481 PolarHBondContact O-N 3.45Å
478K81.5Confident82.4Confident95 Ų9555.4 Ų55.441%0.41326%0.262SS..Hα-helixtrans-63.2-44.8172.7-71.2-174.4176.9-160.60111.5L320 E331 G474 E475 W476 A480 K481 V482L320-K478 HydrophobicContact CD2-CB 4.07Å; E331-K478 WeakPolarHBondContact OE1-CD 3.34Å; E331-K478 WeakPolarHBondContact OE1-CE 3.47Å; E331-K478 IonicContact OE1-NZ 2.65Å; E331-K478 PolarHBondContact OE1-NZ 3.2Å; E331-K478 IonicContact OE2-NZ 2.71Å; E331-K478 PolarHBondContact OE2-NZ 3.48Å; G474-K478 WeakPolarHBondContact O-CG 3.4Å; G474-K478 PolarHBondContact O-N 3.4Å; E475-K478 PolarHBondContact O-N 2.87Å; W476-K478 PolarHBondContact O-N 3.44Å; K478-A480 PolarHBondContact O-N 2.71Å; K478-K481 PolarHBondContact O-N 2.98Å; K478-V482 WeakPolarHBondContact O-CG2 3.32Å; K478-V482 PolarHBondContact O-N 3.3Å; K478-V482 VanDerWaalsContact O-N 3.09Å
479V83.4Confident83Confident2 Ų259.5 Ų59.51%0.01227%0.27CS..Hα-helixtrans-57.7-47.6174.8166.50000111.4I301 V311 I319 L320 E475 W476 K481 V482 L483I301-V479 HydrophobicContact CG2-CG1 4.45Å; V311-V479 HydrophobicContact CG1-CG2 4.19Å; I319-V479 HydrophobicContact CD1-CG1 3.74Å; I319-V479 HydrophobicContact CG2-CG1 4.28Å; L320-V479 HydrophobicContact CD1-CG2 3.86Å; L320-V479 HydrophobicContact CG-CG2 4.12Å; E475-V479 WeakPolarHBondContact O-CG2 3.48Å; E475-V479 PolarHBondContact O-N 2.8Å; W476-V479 HydrophobicContact CE3-CG1 4.36Å; W476-V479 WeakPolarHBondContact O-CB 3.47Å; W476-V479 PolarHBondContact O-N 3.19Å; V479-K481 PolarHBondContact O-N 2.93Å; V479-V482 PolarHBondContact O-N 3.4Å; V479-L483 HydrophobicContact CG1-CD1 4.1Å; V479-L483 WeakPolarHBondContact O-CG 3.35Å; V479-L483 PolarHBondContact O-N 2.71Å
480A84.6Confident83.6Confident1 Ų162.8 Ų62.81%0.00828%0.284CS..Hα-helixtrans-59-45.6177.400000112.5I298 I301 H302 W476 K477 K478 V482 L483 D484I298-A480 HydrophobicContact CG2-CB 3.96Å; I301-A480 HydrophobicContact CG2-CB 4.28Å; H302-A480 HydrophobicContact CB-CB 4.05Å; W476-A480 PolarHBondContact O-N 2.92Å; K477-A480 PolarHBondContact O-N 2.99Å; K478-A480 PolarHBondContact O-N 2.71Å; A480-V482 PolarHBondContact O-N 2.85Å; A480-L483 PolarHBondContact O-N 3.02Å; A480-D484 PolarHBondContact O-N 3.34Å
481K84.7Confident84.3Confident130 Ų13057.2 Ų57.257%0.56526%0.258SS*.Hα-helixtrans-62-38.4177.4-73.5179.4179.2-173.60113.4K477 K478 V479 R485K477-K481 WeakPolarHBondContact O-CG 3.37Å; K477-K481 PolarHBondContact O-N 3.45Å; K478-K481 PolarHBondContact O-N 2.98Å; V479-K481 PolarHBondContact O-N 2.93Å; K481-R485 PolarHBondContact O-N 3.12Å; K481-R485 VanDerWaalsContact O-N 3.11Å
482V85.1Confident85Confident6 Ų654 Ų544%0.03624%0.244CC..Hα-helixtrans-69.7-41176.4174.60000111.2I319 L320 M323 A324 V329 K478 V479 A480 R485 F486I319-V482 HydrophobicContact CG2-CB 3.96Å; I319-V482 HydrophobicContact CG2-CG1 3.72Å; L320-V482 HydrophobicContact CD2-CG2 4.42Å; M323-V482 HydrophobicContact CB-CG1 3.95Å; A324-V482 HydrophobicContact CB-CG1 4.11Å; A324-V482 HydrophobicContact CB-CG2 4.12Å; V329-V482 HydrophobicContact CB-CG2 4.49Å; V329-V482 HydrophobicContact CG1-CG2 4.19Å; K478-V482 WeakPolarHBondContact O-CG2 3.32Å; K478-V482 PolarHBondContact O-N 3.3Å; K478-V482 VanDerWaalsContact O-N 3.09Å; V479-V482 PolarHBondContact O-N 3.4Å; A480-V482 PolarHBondContact O-N 2.85Å; V482-R485 PolarHBondContact O-N 2.84Å; V482-F486 PolarHBondContact O-N 3.28Å
483L85.4Confident85.6Confident15 Ų1552.8 Ų52.88%0.07925%0.245CC..Hα-helixtrans-61.1-46.5174-70.6174.7000111.4I298 I301 I319 M323 V479 A480 R485 F486 F487I298-L483 HydrophobicContact CD1-CB 4.41Å; I298-L483 HydrophobicContact CG1-CB 4.34Å; I301-L483 HydrophobicContact CD1-CD1 4.1Å; I319-L483 HydrophobicContact CD1-CD1 4.35Å; I319-L483 HydrophobicContact CD1-CD2 4.11Å; I319-L483 HydrophobicContact CD1-CG 4.38Å; I319-L483 HydrophobicContact CG1-CD2 4.4Å; I319-L483 HydrophobicContact CG2-CD2 4.17Å; I319-L483 HydrophobicContact CG2-CG 4.18Å; M323-L483 HydrophobicContact CE-CD2 3.82Å; M323-L483 HydrophobicContact SD-CD2 4.23Å; V479-L483 HydrophobicContact CG1-CD1 4.1Å; V479-L483 WeakPolarHBondContact O-CG 3.35Å; V479-L483 PolarHBondContact O-N 2.71Å; A480-L483 PolarHBondContact O-N 3.02Å; L483-R485 PolarHBondContact O-N 2.81Å; L483-F486 PolarHBondContact O-N 2.63Å; L483-F487 HydrophobicContact CB-CD2 4.29Å; L483-F487 HydrophobicContact CB-CE2 4.18Å; L483-F487 HydrophobicContact CD2-CE2 4.18Å; L483-F487 WeakPolarHBondContact O-CD2 3.47Å; L483-F487 PolarHBondContact O-N 2.9Å
484D88.2Confident86.3Confident13 Ų1353.8 Ų53.87%0.0725%0.247CC..Hα-helixtrans-54.7-49.5175.4-89.9-24.4000112K246 I298 A480 F486 F487 M488K246-D484 IonicContact NZ-OD1 2.76Å; K246-D484 PolarHBondContact NZ-OD1 3.12Å; K246-D484 IonicContact NZ-OD2 3.47Å; K246-D484 PolarHBondContact NZ-OD2 2.99Å; I298-D484 VanDerWaalsContact CD1-OD1 3.3Å; I298-D484 WeakPolarHBondContact CD1-OD1 3.46Å; A480-D484 PolarHBondContact O-N 3.34Å; D484-F486 VanDerWaalsContact C-N 3.3Å; D484-F486 PolarHBondContact O-N 3.31Å; D484-F487 PolarHBondContact O-N 3.12Å; D484-M488 VanDerWaalsContact O-CB 3.24Å; D484-M488 WeakPolarHBondContact O-CB 3.26Å; D484-M488 PolarHBondContact O-N 3.49Å
485R86.9Confident86.9Confident87 Ų8752.6 Ų52.633%0.32823%0.234SC..Hα-helixtrans-65.2-33.8-179.5-151.567.2164.4-176.4-3.2112.8C327 V329 K481 V482 L483 M488 W489C327-R485 HydrophobicContact CB-CB 4.45Å; C327-R485 HydrophobicContact CB-CG 4.44Å; V329-R485 HydrophobicContact CG2-CB 3.74Å; V329-R485 HydrophobicContact CG2-CG 3.72Å; K481-R485 PolarHBondContact O-N 3.12Å; K481-R485 VanDerWaalsContact O-N 3.11Å; V482-R485 PolarHBondContact O-N 2.84Å; L483-R485 PolarHBondContact O-N 2.81Å; R485-M488 HydrophobicContact CG-CE 4.5Å; R485-W489 VanDerWaalsContact O-CD1 3.31Å; R485-W489 PolarHBondContact O-N 3.45Å
486F88.4Confident87.3Confident47 Ų4754.5 Ų54.521%0.20624%0.242CC..Hα-helixtrans-67-52.3174.3173.6-98.6000112.2M323 M326 C327 V482 L483 D484 M488 W489 M490M323-F486 HydrophobicContact CE-CB 3.5Å; M323-F486 HydrophobicContact CE-CD1 3.4Å; M323-F486 HydrophobicContact CE-CD2 3.7Å; M323-F486 HydrophobicContact CE-CE1 3.99Å; M323-F486 HydrophobicContact CE-CE2 4.25Å; M323-F486 HydrophobicContact CE-CG 3.23Å; M323-F486 HydrophobicContact CE-CZ 4.38Å; M326-F486 HydrophobicContact SD-CE2 4.32Å; C327-F486 WeakPolarHBondContact SG-CA 3.5Å; V482-F486 PolarHBondContact O-N 3.28Å; L483-F486 PolarHBondContact O-N 2.63Å; D484-F486 VanDerWaalsContact C-N 3.3Å; D484-F486 PolarHBondContact O-N 3.31Å; F486-M488 VanDerWaalsContact C-N 3.31Å; F486-M488 PolarHBondContact O-N 3.01Å; F486-W489 PolarHBondContact O-N 2.92Å; F486-M490 HydrophobicContact CE1-CG 4.09Å; F486-M490 HydrophobicContact CE2-CG 4.42Å; F486-M490 HydrophobicContact CZ-CG 3.94Å; F486-M490 PolarHBondContact O-N 2.91Å
487F88.8Confident87.7Confident39 Ų3958.4 Ų58.417%0.17126%0.26CS..Hα-helixtrans-64.3-37.8179.7-70.3-61.4000111.4F237 L294 I298 L483 D484 W489 M490 F491F237-F487 HydrophobicContact CD1-CB 3.99Å; F237-F487 HydrophobicContact CE1-CB 3.73Å; F237-F487 HydrophobicContact CE2-CB 4.46Å; F237-F487 HydrophobicContact CG-CB 4.48Å; F237-F487 HydrophobicContact CZ-CB 3.99Å; L294-F487 HydrophobicContact CD1-CD1 3.94Å; L294-F487 HydrophobicContact CD1-CE1 3.9Å; L294-F487 HydrophobicContact CD1-CZ 4.43Å; L294-F487 HydrophobicContact CD2-CE1 4.28Å; L294-F487 HydrophobicContact CD2-CE2 4.43Å; L294-F487 HydrophobicContact CD2-CZ 4.02Å; I298-F487 HydrophobicContact CD1-CD2 3.65Å; I298-F487 HydrophobicContact CD1-CE2 4.13Å; L483-F487 HydrophobicContact CB-CD2 4.29Å; L483-F487 HydrophobicContact CB-CE2 4.18Å; L483-F487 HydrophobicContact CD2-CE2 4.18Å; L483-F487 WeakPolarHBondContact O-CD2 3.47Å; L483-F487 PolarHBondContact O-N 2.9Å; D484-F487 PolarHBondContact O-N 3.12Å; F487-W489 PolarHBondContact O-N 3.2Å; F487-M490 PolarHBondContact O-N 3.08Å; F487-F491 HydrophobicContact CB-CD2 4.18Å; F487-F491 HydrophobicContact CB-CE2 4.31Å; F487-F491 HydrophobicContact CD1-CE2 4.36Å; F487-F491 WeakPolarHBondContact O-CB 3.08Å; F487-F491 VanDerWaalsContact O-CD2 3.23Å; F487-F491 WeakPolarHBondContact O-CD2 3.48Å; F487-F491 PolarHBondContact O-N 3.3Å
488M89.9Confident87.9Confident26 Ų2658.5 Ų58.513%0.12826%0.262CS..Hα-helixtrans-50.9-53.4171-172.4-159.475.900111.8F237 Y238 D484 R485 F486 F492F237-M488 HydrophobicContact CB-CB 3.67Å; F237-M488 HydrophobicContact CB-CG 4.19Å; F237-M488 HydrophobicContact CG-CB 4.44Å; Y238-M488 HydrophobicContact CD2-SD 4.1Å; D484-M488 VanDerWaalsContact O-CB 3.24Å; D484-M488 WeakPolarHBondContact O-CB 3.26Å; D484-M488 PolarHBondContact O-N 3.49Å; R485-M488 HydrophobicContact CG-CE 4.5Å; F486-M488 VanDerWaalsContact C-N 3.31Å; F486-M488 PolarHBondContact O-N 3.01Å; M488-F492 WeakPolarHBondContact O-CB 3.45Å; M488-F492 PolarHBondContact O-N 3.33Å
489W89.1Confident88.1Confident124 Ų12454.6 Ų54.647%0.4725%0.247SC..Hα-helixtrans-66.3-42.4179.2-85.3109.7000112.5R485 F486 F487 F492 I493R485-W489 VanDerWaalsContact O-CD1 3.31Å; R485-W489 PolarHBondContact O-N 3.45Å; F486-W489 PolarHBondContact O-N 2.92Å; F487-W489 PolarHBondContact O-N 3.2Å; W489-F492 PolarHBondContact O-N 3.49Å; W489-I493 HydrophobicContact CE3-CD1 4.28Å; W489-I493 HydrophobicContact CE3-CG1 4.43Å; W489-I493 WeakPolarHBondContact O-CB 2.92Å; W489-I493 WeakPolarHBondContact O-CD1 3.5Å; W489-I493 WeakPolarHBondContact O-CG1 3.08Å; W489-I493 PolarHBondContact O-N 3.12Å
490M89.8Confident88.3Confident100 Ų10058.7 Ų58.749%0.49327%0.268SS..Hα-helixtrans-57.2-52.2175.9-104.9-70.2-65.700112F486 F487 M494F486-M490 HydrophobicContact CE1-CG 4.09Å; F486-M490 HydrophobicContact CE2-CG 4.42Å; F486-M490 HydrophobicContact CZ-CG 3.94Å; F486-M490 PolarHBondContact O-N 2.91Å; F487-M490 PolarHBondContact O-N 3.08Å; M490-M494 WeakPolarHBondContact O-CB 3.47Å; M490-M494 PolarHBondContact O-N 3.44Å
491F90.9Very high88.2Confident17 Ų1763.8 Ų63.88%0.07530%0.295CS..Hα-helixtrans-69.2-38.3179.1-78.2-71000112.1P234 F237 M287 L294 F487 M494 V495P234-F491 HydrophobicContact CG-CB 4.26Å; F237-F491 HydrophobicContact CD2-CD2 4.32Å; F237-F491 HydrophobicContact CE2-CB 4.45Å; F237-F491 AromaticContact CE2-CD2 3.38Å; F237-F491 HydrophobicContact CE2-CD2 3.38Å; F237-F491 AromaticContact CE2-CE2 3.88Å; F237-F491 HydrophobicContact CE2-CE2 3.88Å; F237-F491 HydrophobicContact CE2-CG 4.12Å; F237-F491 AromaticContact CZ-CD2 3.69Å; F237-F491 HydrophobicContact CZ-CD2 3.69Å; F237-F491 AromaticContact CZ-CE2 3.7Å; F237-F491 HydrophobicContact CZ-CE2 3.7Å; M287-F491 HydrophobicContact CG-CD1 3.75Å; M287-F491 HydrophobicContact CG-CE1 3.87Å; M287-F491 HydrophobicContact SD-CD1 4.33Å; L294-F491 HydrophobicContact CD1-CE2 3.73Å; L294-F491 HydrophobicContact CD1-CZ 3.83Å; F487-F491 HydrophobicContact CB-CD2 4.18Å; F487-F491 HydrophobicContact CB-CE2 4.31Å; F487-F491 HydrophobicContact CD1-CE2 4.36Å; F487-F491 WeakPolarHBondContact O-CB 3.08Å; F487-F491 VanDerWaalsContact O-CD2 3.23Å; F487-F491 WeakPolarHBondContact O-CD2 3.48Å; F487-F491 PolarHBondContact O-N 3.3Å; F491-M494 HydrophobicContact CD1-CE 3.71Å; F491-M494 HydrophobicContact CE1-CE 3.77Å; F491-M494 PolarHBondContact O-N 3.29Å; F491-V495 WeakPolarHBondContact O-CB 3.45Å; F491-V495 VanDerWaalsContact O-CG2 3.29Å; F491-V495 WeakPolarHBondContact O-CG2 3.45Å; F491-V495 PolarHBondContact O-N 2.8Å
492F90.9Very high88Confident87 Ų8758.8 Ų58.838%0.38227%0.274SS..Hα-helixtrans-60.9-48.1175.9-177.5-92.9000111.8F231 P234 M488 W489 M494 V495 F496F231-F492 HydrophobicContact CD1-CD2 4.48Å; F231-F492 HydrophobicContact CD1-CE2 4.19Å; F231-F492 HydrophobicContact CE1-CE2 4.18Å; P234-F492 HydrophobicContact CB-CB 4.11Å; P234-F492 HydrophobicContact CB-CD2 4.43Å; P234-F492 HydrophobicContact CG-CB 4.38Å; M488-F492 WeakPolarHBondContact O-CB 3.45Å; M488-F492 PolarHBondContact O-N 3.33Å; W489-F492 PolarHBondContact O-N 3.49Å; F492-M494 VanDerWaalsContact C-N 3.32Å; F492-M494 PolarHBondContact O-N 3.38Å; F492-V495 PolarHBondContact O-N 2.94Å; F492-F496 VanDerWaalsContact O-CB 3.23Å; F492-F496 WeakPolarHBondContact O-CB 3.31Å; F492-F496 PolarHBondContact O-N 3Å
493I90.8Very high87.6Confident80 Ų8062.6 Ų62.641%0.4129%0.292SS..Hα-helixtrans-61-42.7176.3-70.2168000110.4W489 F496 F497W489-I493 HydrophobicContact CE3-CD1 4.28Å; W489-I493 HydrophobicContact CE3-CG1 4.43Å; W489-I493 WeakPolarHBondContact O-CB 2.92Å; W489-I493 WeakPolarHBondContact O-CD1 3.5Å; W489-I493 WeakPolarHBondContact O-CG1 3.08Å; W489-I493 PolarHBondContact O-N 3.12Å; I493-F496 PolarHBondContact O-N 3.27Å; I493-F497 HydrophobicContact CG2-CD2 3.57Å; I493-F497 HydrophobicContact CG2-CE2 3.59Å; I493-F497 VanDerWaalsContact O-CD2 3.29Å; I493-F497 WeakPolarHBondContact O-CD2 3.17Å; I493-F497 PolarHBondContact O-N 2.99Å
494M90.2Very high87.2Confident63 Ų6364.6 Ų64.631%0.3132%0.317SS..Hα-helixtrans-66.9-44.2179.1-168.3164.271.100112.9M287 M490 F491 F492 F496 M498M287-M494 HydrophobicContact CB-CE 4.24Å; M287-M494 HydrophobicContact CE-CE 3.83Å; M287-M494 HydrophobicContact CE-CG 3.88Å; M287-M494 HydrophobicContact CE-SD 4.44Å; M287-M494 HydrophobicContact CG-CE 3.51Å; M287-M494 HydrophobicContact SD-CE 3.65Å; M287-M494 HydrophobicContact SD-CG 4.34Å; M490-M494 WeakPolarHBondContact O-CB 3.47Å; M490-M494 PolarHBondContact O-N 3.44Å; F491-M494 HydrophobicContact CD1-CE 3.71Å; F491-M494 HydrophobicContact CE1-CE 3.77Å; F491-M494 PolarHBondContact O-N 3.29Å; F492-M494 VanDerWaalsContact C-N 3.32Å; F492-M494 PolarHBondContact O-N 3.38Å; M494-F496 VanDerWaalsContact C-N 3.35Å; M494-M498 WeakPolarHBondContact O-CB 3.28Å; M494-M498 WeakPolarHBondContact O-CG 3.33Å; M494-M498 PolarHBondContact O-N 3.12Å
495V90.3Very high86.4Confident5 Ų570.7 Ų70.73%0.0334%0.342CS..Hα-helixtrans-61.2-44.2173.9171.20000110.6F231 P234 M287 F491 F492 M498 S499F231-V495 HydrophobicContact CD1-CG1 3.77Å; F231-V495 HydrophobicContact CE1-CG1 3.73Å; F231-V495 HydrophobicContact CE2-CG1 4.48Å; F231-V495 HydrophobicContact CG-CG1 4.17Å; F231-V495 HydrophobicContact CZ-CG1 4.1Å; P234-V495 HydrophobicContact CG-CG2 4.02Å; M287-V495 HydrophobicContact SD-CG2 3.4Å; M287-V495 WeakPolarHBondContact SD-CG2 3.39Å; F491-V495 WeakPolarHBondContact O-CB 3.45Å; F491-V495 VanDerWaalsContact O-CG2 3.29Å; F491-V495 WeakPolarHBondContact O-CG2 3.45Å; F491-V495 PolarHBondContact O-N 2.8Å; F492-V495 PolarHBondContact O-N 2.94Å; V495-M498 PolarHBondContact O-N 3.28Å; V495-S499 WeakPolarHBondContact O-CB 3.15Å; V495-S499 PolarHBondContact O-N 2.88Å; V495-S499 PolarHBondContact O-OG 3.33Å
496F89.4Confident85.2Confident96 Ų9667.2 Ų67.242%0.42133%0.332SS..Hα-helixtrans-62.5-50.3-179.6-178.9-104.6000111.8F492 I493 M494 S499 L500F492-F496 VanDerWaalsContact O-CB 3.23Å; F492-F496 WeakPolarHBondContact O-CB 3.31Å; F492-F496 PolarHBondContact O-N 3Å; I493-F496 PolarHBondContact O-N 3.27Å; M494-F496 VanDerWaalsContact C-N 3.35Å; F496-S499 PolarHBondContact O-N 3.36Å; F496-L500 HydrophobicContact CD1-CD1 3.86Å; F496-L500 HydrophobicContact CE1-CD1 3.37Å; F496-L500 HydrophobicContact CE1-CG 4.35Å; F496-L500 HydrophobicContact CE2-CD1 4.28Å; F496-L500 HydrophobicContact CZ-CD1 3.61Å; F496-L500 HydrophobicContact CZ-CG 4.3Å; F496-L500 WeakPolarHBondContact O-CB 3.39Å; F496-L500 WeakPolarHBondContact O-CG 3.32Å; F496-L500 PolarHBondContact O-N 2.87Å
497F89.5Confident83.6Confident122 Ų12273.2 Ų73.254%0.53537%0.373SS..Hα-helixtrans-64.9-39.5176.4-80.9-60.3000112.8I493 L500 L501I493-F497 HydrophobicContact CG2-CD2 3.57Å; I493-F497 HydrophobicContact CG2-CE2 3.59Å; I493-F497 VanDerWaalsContact O-CD2 3.29Å; I493-F497 WeakPolarHBondContact O-CD2 3.17Å; I493-F497 PolarHBondContact O-N 2.99Å; F497-L500 PolarHBondContact O-N 3.19Å; F497-L501 WeakPolarHBondContact O-CB 3.37Å; F497-L501 VanDerWaalsContact O-CG 3.25Å; F497-L501 WeakPolarHBondContact O-CG 3.46Å; F497-L501 PolarHBondContact O-N 3.33Å
498M87.4Confident83.3Confident74 Ų7475 Ų7537%0.36538%0.383SS..Hα-helixtrans-62.6-46.4175.7-73.3-67177.600111.5M287 M494 V495 L500 L501 I502M287-M498 HydrophobicContact CE-CG 4.07Å; M494-M498 WeakPolarHBondContact O-CB 3.28Å; M494-M498 WeakPolarHBondContact O-CG 3.33Å; M494-M498 PolarHBondContact O-N 3.12Å; V495-M498 PolarHBondContact O-N 3.28Å; M498-L500 VanDerWaalsContact C-N 3.35Å; M498-L500 PolarHBondContact O-N 3.28Å; M498-L501 PolarHBondContact O-N 3.28Å; M498-I502 VanDerWaalsContact O-CD1 3.28Å; M498-I502 WeakPolarHBondContact O-CD1 3.16Å; M498-I502 VanDerWaalsContact O-CG1 3.32Å; M498-I502 WeakPolarHBondContact O-CG1 3.44Å; M498-I502 PolarHBondContact O-N 3.49Å; M498-I502 VanDerWaalsContact O-N 3.14Å
499S86.5Confident83Confident12 Ų1277.5 Ų77.58%0.08440%0.396CS..Hα-helixtrans-61.4-42177.5-55.20000111.8V495 F496 I502 M503V495-S499 WeakPolarHBondContact O-CB 3.15Å; V495-S499 PolarHBondContact O-N 2.88Å; V495-S499 PolarHBondContact O-OG 3.33Å; F496-S499 PolarHBondContact O-N 3.36Å; S499-I502 PolarHBondContact O-N 2.71Å; S499-M503 WeakPolarHBondContact O-CG 3.33Å; S499-M503 PolarHBondContact O-N 2.98Å
500L86.4Confident82.7Confident88 Ų8874.9 Ų74.946%0.46139%0.392SS..Hα-helixtrans-64.3-44.1174.9-78.7178.7000112.9F496 F497 M498 I502 M503 G504F496-L500 HydrophobicContact CD1-CD1 3.86Å; F496-L500 HydrophobicContact CE1-CD1 3.37Å; F496-L500 HydrophobicContact CE1-CG 4.35Å; F496-L500 HydrophobicContact CE2-CD1 4.28Å; F496-L500 HydrophobicContact CZ-CD1 3.61Å; F496-L500 HydrophobicContact CZ-CG 4.3Å; F496-L500 WeakPolarHBondContact O-CB 3.39Å; F496-L500 WeakPolarHBondContact O-CG 3.32Å; F496-L500 PolarHBondContact O-N 2.87Å; F497-L500 PolarHBondContact O-N 3.19Å; M498-L500 VanDerWaalsContact C-N 3.35Å; M498-L500 PolarHBondContact O-N 3.28Å; L500-I502 PolarHBondContact O-N 2.94Å; L500-M503 PolarHBondContact O-N 2.84Å; L500-G504 PolarHBondContact O-N 2.77Å
501L83.9Confident82.2Confident109 Ų10973.5 Ų73.557%0.57139%0.386SS*.Hα-helixtrans-61.8-30.7178.9-77.1169.2000112.3F497 M498 K505F497-L501 WeakPolarHBondContact O-CB 3.37Å; F497-L501 VanDerWaalsContact O-CG 3.25Å; F497-L501 WeakPolarHBondContact O-CG 3.46Å; F497-L501 PolarHBondContact O-N 3.33Å; M498-L501 PolarHBondContact O-N 3.28Å; L501-K505 WeakPolarHBondContact O-CB 3.42Å; L501-K505 WeakPolarHBondContact O-CG 3.45Å; L501-K505 PolarHBondContact O-N 3.08Å
502I80.1Confident81.7Confident25 Ų2577 Ų7713%0.12841%0.406CS..Hα-helixtrans-80.8-48178.9-66.5157.9000110.6L223 Y280 M498 S499 L500 G504 K505 A506L223-I502 HydrophobicContact CD1-CG2 4.41Å; Y280-I502 HydrophobicContact CD1-CD1 4.13Å; Y280-I502 HydrophobicContact CD2-CD1 3Å; Y280-I502 HydrophobicContact CD2-CG1 4.44Å; Y280-I502 HydrophobicContact CE2-CD1 3.47Å; Y280-I502 VanDerWaalsContact CE2-CD1 3.47Å; Y280-I502 HydrophobicContact CG-CD1 3.35Å; M498-I502 VanDerWaalsContact O-CD1 3.28Å; M498-I502 WeakPolarHBondContact O-CD1 3.16Å; M498-I502 VanDerWaalsContact O-CG1 3.32Å; M498-I502 WeakPolarHBondContact O-CG1 3.44Å; M498-I502 PolarHBondContact O-N 3.49Å; M498-I502 VanDerWaalsContact O-N 3.14Å; S499-I502 PolarHBondContact O-N 2.71Å; L500-I502 PolarHBondContact O-N 2.94Å; I502-G504 VanDerWaalsContact C-N 3.28Å; I502-G504 PolarHBondContact O-N 3.14Å; I502-K505 CarbonylContact O-C 3.6Å; I502-K505 PolarHBondContact O-N 2.92Å; I502-A506 VanDerWaalsContact O-CB 3.32Å; I502-A506 WeakPolarHBondContact O-CB 3.44Å; I502-A506 PolarHBondContact O-N 3.42Å
503M76.7Confident81.1Confident85 Ų8576.3 Ų76.342%0.41941%0.407SS..Hα-helixtrans-60.5-38175.7-69.8-64.7-69.100111.8L223 S499 L500 K505 A506 V507L223-M503 HydrophobicContact CD1-SD 4.43Å; L223-M503 HydrophobicContact CD2-SD 3.54Å; L223-M503 VanDerWaalsContact CD2-SD 3.54Å; S499-M503 WeakPolarHBondContact O-CG 3.33Å; S499-M503 PolarHBondContact O-N 2.98Å; L500-M503 PolarHBondContact O-N 2.84Å; M503-K505 VanDerWaalsContact C-N 3.27Å; M503-K505 PolarHBondContact O-N 3.35Å; M503-A506 WeakPolarHBondContact O-CB 3.4Å; M503-A506 PolarHBondContact O-N 2.85Å; M503-V507 PolarHBondContact O-N 2.92Å
504G76.9Confident80.4Confident58 Ų5876.1 Ų76.160%0.59841%0.407SS*.Hα-helixtrans-79.4217400000115.5L500 I502L500-G504 PolarHBondContact O-N 2.77Å; I502-G504 VanDerWaalsContact C-N 3.28Å; I502-G504 PolarHBondContact O-N 3.14Å
505K71.3Confident79.6Confident140 Ų14077.1 Ų77.161%0.60942%0.415SS*.Hα-helixtrans-107.7-9.7166.5-75.5-89-176.9167.50112.3L276 L501 I502 M503L276-K505 HydrophobicContact CD2-CB 3.99Å; L501-K505 WeakPolarHBondContact O-CB 3.42Å; L501-K505 WeakPolarHBondContact O-CG 3.45Å; L501-K505 PolarHBondContact O-N 3.08Å; I502-K505 CarbonylContact O-C 3.6Å; I502-K505 PolarHBondContact O-N 2.92Å; M503-K505 VanDerWaalsContact C-N 3.27Å; M503-K505 PolarHBondContact O-N 3.35Å
506A61.3Low78.7Confident14 Ų1483.1 Ų83.112%0.11645%0.447CS..Hα-helixtrans-97.1-25.9-178.800000112.5F142 I502 M503F142-A506 WeakPolarHBondContact CD1-O 3.34Å; F142-A506 HydrophobicContact CD2-CB 3.81Å; F142-A506 HydrophobicContact CE1-CB 4.39Å; F142-A506 WeakPolarHBondContact CE1-O 3.22Å; F142-A506 HydrophobicContact CE2-CB 3.29Å; F142-A506 WeakPolarHBondContact CG-O 3.43Å; F142-A506 HydrophobicContact CZ-CB 3.62Å; I502-A506 VanDerWaalsContact O-CB 3.32Å; I502-A506 WeakPolarHBondContact O-CB 3.44Å; I502-A506 PolarHBondContact O-N 3.42Å; M503-A506 WeakPolarHBondContact O-CB 3.4Å; M503-A506 PolarHBondContact O-N 2.85Å
507V55.6Low77.8Confident174 Ų17481.9 Ų81.9100%1.05545%0.449SS*.  trans-96.50168.4-176.10000109.4M503M503-V507 PolarHBondContact O-N 2.92Å

Retrieved 507 of 507 residues in 83.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).