A0A087WZJ7_HUMAN Loading...

Zinc finger protein 254

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A087WZJ7, Species HUMAN (Homo sapiens, Human), Gene ZNF254, Length 618 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
1M52.8Low55.3Low131 Ų131107.6 Ų107.665%0.64553%0.525SS*.  0-56.70-69.1-142.5-76.900113.2E3 N4 Y5 I21 L24M1-E3 PolarHBondContact O-N 3.36Å; M1-N4 PolarHBondContact O-N 2.81Å; M1-Y5 PolarHBondContact O-N 2.81Å; M1-I21 HydrophobicContact CE-CG1 4.25Å; M1-I21 HydrophobicContact SD-CG1 4.1Å; M1-L24 HydrophobicContact CG-CD1 3.81Å; M1-L24 HydrophobicContact SD-CB 4.42Å; M1-L24 HydrophobicContact SD-CD1 3.7Å
2L47.7Very low54.7Low123 Ų123104.4 Ų104.464%0.64454%0.54SS*.Hα-helixtrans-61.3-37.9-179.9-84.7156.2000114.3Y5 R6L2-Y5 PolarHBondContact O-N 2.82Å; L2-R6 WeakPolarHBondContact O-CG 3.43Å; L2-R6 PolarHBondContact O-N 3.1Å
3E53.9Low54.4Low120 Ų120103.2 Ų103.256%0.56153%0.533SS*.Hα-helixtrans-64.8-42.2176.6-156.865.3-157.800112M1 R6 N7M1-E3 PolarHBondContact O-N 3.36Å; E3-R6 PolarHBondContact O-N 2.9Å; E3-N7 WeakPolarHBondContact O-CB 3.38Å; E3-N7 VanDerWaalsContact O-CG 3.26Å; E3-N7 PolarHBondContact O-N 3.4Å; E3-N7 PolarHBondContact O-ND2 3.35Å
4N54.7Low54.4Low77 Ų77103.5 Ų103.541%0.41256%0.559SS.*Hα-helixtrans-68.1-37.1177-73.7-4.7000112M1 N7 L8M1-N4 PolarHBondContact O-N 2.81Å; N4-N7 PolarHBondContact O-N 3.1Å; N4-L8 WeakPolarHBondContact O-CB 3.44Å; N4-L8 VanDerWaalsContact O-CG 3.28Å; N4-L8 WeakPolarHBondContact O-CG 3.41Å; N4-L8 PolarHBondContact O-N 3.4Å
5Y58.3Low54.8Low79 Ų7998.3 Ų98.331%0.3153%0.532SS..Hα-helixtrans-64.4-41.9173.4-175.8-92.2000111.6M1 L2 L8 A9 V15 K17 L20M1-Y5 PolarHBondContact O-N 2.81Å; L2-Y5 PolarHBondContact O-N 2.82Å; Y5-L8 PolarHBondContact O-N 3.01Å; Y5-A9 VanDerWaalsContact O-CB 3.31Å; Y5-A9 WeakPolarHBondContact O-CB 3.49Å; Y5-A9 PolarHBondContact O-N 3.32Å; Y5-V15 WeakPolarHBondContact CE2-O 3.37Å; Y5-K17 HydrophobicContact CD2-CG 4.04Å; Y5-K17 HydrophobicContact CE2-CG 3.59Å; Y5-L20 HydrophobicContact CD2-CD2 3.98Å; Y5-L20 HydrophobicContact CG-CD2 4.47Å
6R55.1Low55.4Low171 Ų17195.5 Ų95.565%0.64552%0.522SS*.Hα-helixtrans-62.5-41.5174.5-79.3-179.1173.8-178.7-1.9112L2 E3 F10L2-R6 WeakPolarHBondContact O-CG 3.43Å; L2-R6 PolarHBondContact O-N 3.1Å; E3-R6 PolarHBondContact O-N 2.9Å; R6-F10 VanDerWaalsContact O-CB 3.29Å; R6-F10 WeakPolarHBondContact O-CB 3.38Å; R6-F10 PolarHBondContact O-N 2.87Å
7N55.3Low55.7Low83 Ų8396.9 Ų96.944%0.44452%0.522SS..Hα-helixtrans-68-37.4177.5-70.5-28.6000112.8E3 N4 F10 L11E3-N7 WeakPolarHBondContact O-CB 3.38Å; E3-N7 VanDerWaalsContact O-CG 3.26Å; E3-N7 PolarHBondContact O-N 3.4Å; E3-N7 PolarHBondContact O-ND2 3.35Å; N4-N7 PolarHBondContact O-N 3.1Å; N7-F10 PolarHBondContact O-N 3.07Å; N7-L11 WeakPolarHBondContact O-CG 3.34Å; N7-L11 PolarHBondContact O-N 2.91Å; N7-L11 VanDerWaalsContact O-N 3.14Å
8L57Low56.3Low31 Ų3196.2 Ų96.216%0.16252%0.523CS..Hα-helixtrans-71.9-38.4176.4-71.2167.7000112.4N4 Y5 F10 L11 G12 I13 L20 P30N4-L8 WeakPolarHBondContact O-CB 3.44Å; N4-L8 VanDerWaalsContact O-CG 3.28Å; N4-L8 WeakPolarHBondContact O-CG 3.41Å; N4-L8 PolarHBondContact O-N 3.4Å; Y5-L8 PolarHBondContact O-N 3.01Å; L8-F10 VanDerWaalsContact C-N 3.32Å; L8-L11 PolarHBondContact O-N 3.45Å; L8-G12 PolarHBondContact O-N 3.31Å; L8-I13 HydrophobicContact CD2-CD1 4.33Å; L8-I13 PolarHBondContact O-N 2.96Å; L8-I13 VanDerWaalsContact O-N 3.13Å; L8-L20 HydrophobicContact CD1-CD1 3.56Å; L8-P30 HydrophobicContact CD1-CB 4.32Å
9A56.6Low56.4Low57 Ų5795.5 Ų95.547%0.47152%0.519SS..Hα-helixtrans-64.4-37.1171.400000111.7Y5 L11 G12Y5-A9 VanDerWaalsContact O-CB 3.31Å; Y5-A9 WeakPolarHBondContact O-CB 3.49Å; Y5-A9 PolarHBondContact O-N 3.32Å; A9-L11 PolarHBondContact O-N 2.66Å; A9-G12 PolarHBondContact O-N 3.44Å
10F56.9Low56.8Low183 Ų18391.3 Ų91.380%0.80350%0.496SS*.Hα-helixtrans-65.8-26.7174.6-166.2-93.4000112.9R6 N7 L8 G12R6-F10 VanDerWaalsContact O-CB 3.29Å; R6-F10 WeakPolarHBondContact O-CB 3.38Å; R6-F10 PolarHBondContact O-N 2.87Å; N7-F10 PolarHBondContact O-N 3.07Å; L8-F10 VanDerWaalsContact C-N 3.32Å; F10-G12 VanDerWaalsContact C-N 3.29Å
11L60.3Low57.1Low129 Ų12990 Ų9068%0.67549%0.488SS*.THydrogen-bonded Turntrans-864.1173.7-67.9170.8000113.5N7 L8 A9 I13N7-L11 WeakPolarHBondContact O-CG 3.34Å; N7-L11 PolarHBondContact O-N 2.91Å; N7-L11 VanDerWaalsContact O-N 3.14Å; L8-L11 PolarHBondContact O-N 3.45Å; A9-L11 PolarHBondContact O-N 2.66Å; L11-I13 VanDerWaalsContact C-N 3.32Å; L11-I13 HydrophobicContact CB-CD1 4.5Å; L11-I13 HydrophobicContact CB-CG1 4.41Å; L11-I13 PolarHBondContact O-N 3.34Å
12G47.3Very low57.6Low69 Ų6986.9 Ų86.971%0.71148%0.477SS*.THydrogen-bonded Turntrans74.718.2177.500000114.4L8 A9 F10L8-G12 PolarHBondContact O-N 3.31Å; A9-G12 PolarHBondContact O-N 3.44Å; F10-G12 VanDerWaalsContact C-N 3.29Å
13I51.8Low58.1Low88 Ų8882.5 Ų82.545%0.45146%0.456SS..  trans-97105.8178.3-50.6177.6000107.9L8 L11 V15L8-I13 HydrophobicContact CD2-CD1 4.33Å; L8-I13 PolarHBondContact O-N 2.96Å; L8-I13 VanDerWaalsContact O-N 3.13Å; L11-I13 VanDerWaalsContact C-N 3.32Å; L11-I13 HydrophobicContact CB-CD1 4.5Å; L11-I13 HydrophobicContact CB-CG1 4.41Å; L11-I13 PolarHBondContact O-N 3.34Å; I13-V15 HydrophobicContact CG2-CG2 3.73Å; I13-V15 PolarHBondContact O-N 3.03Å
14A54.3Low58.3Low108 Ų10879.5 Ų79.589%0.89344%0.443SS*.  trans-79.7105.117400000109.7
15V60.1Low58.6Low26 Ų2683.1 Ų83.116%0.15846%0.458CS..  trans-116.9136.1171.4-172.40000108.1Y5 I13 D19 L20 M33Y5-V15 WeakPolarHBondContact CE2-O 3.37Å; I13-V15 HydrophobicContact CG2-CG2 3.73Å; I13-V15 PolarHBondContact O-N 3.03Å; V15-D19 HydrophobicContact CG1-CB 4.25Å; V15-L20 HydrophobicContact CG1-CB 4.5Å; V15-M33 HydrophobicContact CG1-CE 4.06Å; V15-M33 HydrophobicContact CG1-SD 3.71Å; V15-M33 HydrophobicContact CG2-SD 4.3Å
16S64.6Low58.7Low53 Ų5384.7 Ų84.737%0.37147%0.468SS..  trans-66.1141.2177.593.30000110.3P18 D19 L20S16-P18 VanDerWaalsContact C-CD 3.47Å; S16-P18 WeakPolarHBondContact OG-CD 3.45Å; S16-D19 WeakPolarHBondContact CB-OD2 3.39Å; S16-D19 PolarHBondContact O-N 2.87Å; S16-D19 PolarHBondContact OG-N 3.07Å; S16-D19 PolarHBondContact OG-OD2 3.27Å; S16-L20 PolarHBondContact O-N 3.17Å; S16-L20 VanDerWaalsContact O-N 3.15Å
17K60.3Low58.6Low119 Ų11979.8 Ų79.852%0.51747%0.471SS..Hα-helixtrans-55.2-41.7179.4-85.2-177.8177.6175.70113.5Y5 D19 L20 I21Y5-K17 HydrophobicContact CD2-CG 4.04Å; Y5-K17 HydrophobicContact CE2-CG 3.59Å; K17-D19 VanDerWaalsContact C-N 3.34Å; K17-D19 PolarHBondContact O-N 2.85Å; K17-L20 PolarHBondContact O-N 3.1Å; K17-I21 WeakPolarHBondContact O-CG1 3.4Å; K17-I21 PolarHBondContact O-N 3Å
18P66.6Low58.5Low84 Ų8481.9 Ų81.955%0.54548%0.476SS..Hα-helixtrans-61.1-40176.4-23.433.3000113.3S16 I21 T22S16-P18 VanDerWaalsContact C-CD 3.47Å; S16-P18 WeakPolarHBondContact OG-CD 3.45Å; P18-I21 PolarHBondContact O-N 3.25Å; P18-T22 PolarHBondContact O-N 3.49Å; P18-T22 PolarHBondContact O-OG1 3.17Å
19D58.9Low58Low83 Ų8385.9 Ų85.944%0.44449%0.494SS..Hα-helixtrans-69.7-38.1-179.2-62.8-36.7000111.8V15 S16 K17 I21 T22 C23 M33V15-D19 HydrophobicContact CG1-CB 4.25Å; S16-D19 WeakPolarHBondContact CB-OD2 3.39Å; S16-D19 PolarHBondContact O-N 2.87Å; S16-D19 PolarHBondContact OG-N 3.07Å; S16-D19 PolarHBondContact OG-OD2 3.27Å; K17-D19 VanDerWaalsContact C-N 3.34Å; K17-D19 PolarHBondContact O-N 2.85Å; D19-I21 VanDerWaalsContact C-N 3.35Å; D19-I21 PolarHBondContact O-N 3.33Å; D19-T22 PolarHBondContact O-N 3.17Å; D19-C23 PolarHBondContact O-N 3.4Å; D19-C23 PolarHBondContact O-SG 3.28Å; D19-C23 VanDerWaalsContact O-SG 3.39Å; D19-M33 HydrophobicContact CB-CE 4.1Å
20L63.1Low57.3Low11 Ų1185 Ų856%0.05848%0.484CS..Hα-helixtrans-64.7-39.4176.6-165.184.8000111.8Y5 L8 V15 S16 K17 C23 L24Y5-L20 HydrophobicContact CD2-CD2 3.98Å; Y5-L20 HydrophobicContact CG-CD2 4.47Å; L8-L20 HydrophobicContact CD1-CD1 3.56Å; V15-L20 HydrophobicContact CG1-CB 4.5Å; S16-L20 PolarHBondContact O-N 3.17Å; S16-L20 VanDerWaalsContact O-N 3.15Å; K17-L20 PolarHBondContact O-N 3.1Å; L20-C23 PolarHBondContact O-N 3.4Å; L20-L24 HydrophobicContact CD2-CD1 4.19Å; L20-L24 HydrophobicContact CG-CD1 4.08Å; L20-L24 WeakPolarHBondContact O-CB 3.26Å; L20-L24 WeakPolarHBondContact O-CD1 3.3Å; L20-L24 VanDerWaalsContact O-CG 3.22Å; L20-L24 WeakPolarHBondContact O-CG 3.26Å; L20-L24 PolarHBondContact O-N 3.46Å
21I62.5Low57Low64 Ų6484.9 Ų84.933%0.32848%0.478SS..Hα-helixtrans-65.8-46.6177.8-67.2166.7000109.6M1 K17 P18 D19 C23 L24 E25M1-I21 HydrophobicContact CE-CG1 4.25Å; M1-I21 HydrophobicContact SD-CG1 4.1Å; K17-I21 WeakPolarHBondContact O-CG1 3.4Å; K17-I21 PolarHBondContact O-N 3Å; P18-I21 PolarHBondContact O-N 3.25Å; D19-I21 VanDerWaalsContact C-N 3.35Å; D19-I21 PolarHBondContact O-N 3.33Å; I21-C23 VanDerWaalsContact C-N 3.32Å; I21-C23 PolarHBondContact O-N 3.43Å; I21-L24 PolarHBondContact O-N 2.97Å; I21-L24 VanDerWaalsContact O-N 3.16Å; I21-E25 HydrophobicContact CG2-CG 4.38Å; I21-E25 WeakPolarHBondContact O-CG 3.39Å; I21-E25 PolarHBondContact O-N 3.42Å
22T64.1Low56.2Low67 Ų6785.2 Ų85.241%0.41148%0.481SS..Hα-helixtrans-60.6-39.3177.8-48.50000112P18 D19 Q26P18-T22 PolarHBondContact O-N 3.49Å; P18-T22 PolarHBondContact O-OG1 3.17Å; D19-T22 PolarHBondContact O-N 3.17Å; T22-Q26 WeakPolarHBondContact O-CB 3.07Å; T22-Q26 VanDerWaalsContact O-CG 3.27Å; T22-Q26 WeakPolarHBondContact O-CG 3.32Å; T22-Q26 PolarHBondContact O-N 3.31Å; T22-Q26 VanDerWaalsContact O-N 3.15Å
23C59.1Low56.3Low31 Ų3186 Ų8621%0.20947%0.467CS..Hα-helixtrans-68.6-36.4176.2-74.10000113.6D19 L20 I21 G27 K28D19-C23 PolarHBondContact O-N 3.4Å; D19-C23 PolarHBondContact O-SG 3.28Å; D19-C23 VanDerWaalsContact O-SG 3.39Å; L20-C23 PolarHBondContact O-N 3.4Å; I21-C23 VanDerWaalsContact C-N 3.32Å; I21-C23 PolarHBondContact O-N 3.43Å; C23-G27 PolarHBondContact O-N 3.2Å; C23-K28 PolarHBondContact O-N 3.25Å; C23-K28 VanDerWaalsContact O-N 3.17Å
24L57.2Low55.8Low56 Ų5691.6 Ų91.629%0.29349%0.488SS..Hα-helixtrans-74.2-36.6178.9-71.2169.7000112M1 L20 I21 Q26 G27M1-L24 HydrophobicContact CG-CD1 3.81Å; M1-L24 HydrophobicContact SD-CB 4.42Å; M1-L24 HydrophobicContact SD-CD1 3.7Å; L20-L24 HydrophobicContact CD2-CD1 4.19Å; L20-L24 HydrophobicContact CG-CD1 4.08Å; L20-L24 WeakPolarHBondContact O-CB 3.26Å; L20-L24 WeakPolarHBondContact O-CD1 3.3Å; L20-L24 VanDerWaalsContact O-CG 3.22Å; L20-L24 WeakPolarHBondContact O-CG 3.26Å; L20-L24 PolarHBondContact O-N 3.46Å; I21-L24 PolarHBondContact O-N 2.97Å; I21-L24 VanDerWaalsContact O-N 3.16Å; L24-Q26 VanDerWaalsContact C-N 3.3Å; L24-G27 PolarHBondContact O-N 3.31Å
25E61.2Low54.7Low153 Ų15398.2 Ų98.272%0.71549%0.49SS*.Hα-helixtrans-67.1-31.6173.2-73177.3173.400112.1I21 G27I21-E25 HydrophobicContact CG2-CG 4.38Å; I21-E25 WeakPolarHBondContact O-CG 3.39Å; I21-E25 PolarHBondContact O-N 3.42Å; E25-G27 VanDerWaalsContact C-N 3.27Å; E25-G27 PolarHBondContact O-N 3.43Å
26Q61.2Low53.3Low112 Ų112105.8 Ų105.852%0.52352%0.523SS..THydrogen-bonded Turntrans-81.22.9173.7-69.6-179.713.800114.3T22 L24 K28T22-Q26 WeakPolarHBondContact O-CB 3.07Å; T22-Q26 VanDerWaalsContact O-CG 3.27Å; T22-Q26 WeakPolarHBondContact O-CG 3.32Å; T22-Q26 PolarHBondContact O-N 3.31Å; T22-Q26 VanDerWaalsContact O-N 3.15Å; L24-Q26 VanDerWaalsContact C-N 3.3Å; Q26-K28 HydrophobicContact CB-CD 4.46Å; Q26-K28 PolarHBondContact O-N 3.15Å
27G51.3Low51.8Low69 Ų69112.2 Ų112.271%0.71155%0.547SS*.THydrogen-bonded Turntrans65.219.2177.400000115.1C23 L24 E25C23-G27 PolarHBondContact O-N 3.2Å; L24-G27 PolarHBondContact O-N 3.31Å; E25-G27 VanDerWaalsContact C-N 3.27Å; E25-G27 PolarHBondContact O-N 3.43Å
28K53.1Low50.4Low126 Ų126115.1 Ų115.155%0.54857%0.565SS.*  trans-90135.9-179.4-70.7173.2-176.8159.10110.7C23 Q26C23-K28 PolarHBondContact O-N 3.25Å; C23-K28 VanDerWaalsContact O-N 3.17Å; Q26-K28 HydrophobicContact CB-CD 4.46Å; Q26-K28 PolarHBondContact O-N 3.15Å
29E46.9Very low48.6Very low116 Ų116117.2 Ų117.254%0.54258%0.576SS.*  trans-68.7135.7-179.7-62.1-176143.200112W31E29-W31 HydrophobicContact CB-CD2 3.97Å; E29-W31 HydrophobicContact CB-CG 4.48Å; E29-W31 HydrophobicContact CB-CH2 4.13Å; E29-W31 HydrophobicContact CB-CZ2 3.52Å; E29-W31 HydrophobicContact CG-CH2 4.33Å; E29-W31 HydrophobicContact CG-CZ2 3.7Å; E29-W31 PolarHBondContact O-N 3.15Å; E29-W31 WeakPolarHBondContact OE1-CZ2 3.41Å; E29-W31 WeakPolarHBondContact OE2-CZ2 3.39Å; E29-W31 PolarHBondContact OE2-NE1 2.71Å
30P43Very low47Very low39 Ų39120.6 Ų120.625%0.25359%0.594SS.*G310 helixtrans-63.8-14.3-166.7-24.333.4000116.7L8 N32L8-P30 HydrophobicContact CD1-CB 4.32Å; P30-N32 VanDerWaalsContact C-N 3.31Å; P30-N32 PolarHBondContact O-N 2.92Å
31W51.1Low45.5Very low179 Ų179129.3 Ų129.368%0.67863%0.634SS**G310 helixtrans-80.7-3.5-174.133.686.8000115E29E29-W31 HydrophobicContact CB-CD2 3.97Å; E29-W31 HydrophobicContact CB-CG 4.48Å; E29-W31 HydrophobicContact CB-CH2 4.13Å; E29-W31 HydrophobicContact CB-CZ2 3.52Å; E29-W31 HydrophobicContact CG-CH2 4.33Å; E29-W31 HydrophobicContact CG-CZ2 3.7Å; E29-W31 PolarHBondContact O-N 3.15Å; E29-W31 WeakPolarHBondContact OE1-CZ2 3.41Å; E29-W31 WeakPolarHBondContact OE2-CZ2 3.39Å; E29-W31 PolarHBondContact OE2-NE1 2.71Å
32N42.8Very low43.8Very low137 Ų137131.9 Ų131.973%0.73366%0.655SS**G310 helixtrans-92.38.8-178.9-81.8-32.8000115.3P30P30-N32 VanDerWaalsContact C-N 3.31Å; P30-N32 PolarHBondContact O-N 2.92Å
33M49Very low42.2Very low86 Ų86135 Ų13542%0.42468%0.676SS.*PPolyproline II helixtrans-81.3123177-70.2-174.4116.200111.9V15 D19V15-M33 HydrophobicContact CG1-CE 4.06Å; V15-M33 HydrophobicContact CG1-SD 3.71Å; V15-M33 HydrophobicContact CG2-SD 4.3Å; D19-M33 HydrophobicContact CB-CE 4.1Å
34K42.1Very low40.7Very low205 Ų205136.9 Ų136.989%0.89170%0.701SS**PPolyproline II helixtrans-67.4139.4174.5-79.7-178.9177.9176.80110.9
35R31.4Very low39.1Very low246 Ų246143.3 Ų143.393%0.92873%0.732SS**PPolyproline II helixtrans-76.5121.9-173.9-153.3-171.9-55-153.73.1111
36H30.5Very low37.4Very low186 Ų186140.9 Ų140.986%0.86173%0.731SS**  trans-104.9147.7162.7-90.8-76000110.5
37E32Very low35.8Very low187 Ų187141.1 Ų141.187%0.87474%0.742SS**  trans-78.3146-167.3-73-178.9139.400116
38M31Very low34.8Very low180 Ų180144.8 Ų144.889%0.88774%0.74SS**  trans55.4129.4151.2-72.5-170.8149.500122.8
39V28.3Very low33.8Very low128 Ų128148.9 Ų148.978%0.77676%0.759SS**  179.5134.3108.3157.60000112.5
40D27.1Very low33Very low154 Ų154147.8 Ų147.882%0.82477%0.769SS**  trans33.8125.7156.1-56-26.5000125.6
41E30Very low32.5Very low195 Ų195154.6 Ų154.691%0.91180%0.798SS**PPolyproline II helixtrans-89.6146.4167.5-90.9-174.715200113
42P27.1Very low31.5Very low118 Ų118153.6 Ų153.677%0.76681%0.806SS**PPolyproline II helixtrans-86163.817334.6-31.2000113.4
43P31Very low30.9Very low132 Ų132153.4 Ų153.486%0.85780%0.804SS**PPolyproline II helixtrans-89.6138.8-161.133.1-33000115.4
44G27.6Very low29.7Very low71 Ų71161.2 Ų161.273%0.73283%0.829SS**  87100.1129.500000119.7
45M24.5Very low29Very low190 Ų190157.4 Ų157.494%0.93683%0.825SS**  trans-146.6116.4137.5-89.5-64.2166.600108.5
46C24Very low28.9Very low103 Ų103153.4 Ų153.470%0.69682%0.817SS**  trans-101114.1179.4-171.50000109.7
47P27.5Very low28.9Very low117 Ų117152.9 Ų152.976%0.7682%0.815SS**  trans-90.5101.116215.41.7000108.5F49P47-F49 PolarHBondContact O-N 3.21Å
48H31.6Very low28.9Very low145 Ų145147.4 Ų147.467%0.67181%0.809SS**  trans-66.780.1160.2-86.5-67.6000109.4
49F31.4Very low28.8Very low212 Ų212147 Ų14793%0.9381%0.807SS**  trans-175.578.7156.8-107-74.6000109.2P47P47-F49 PolarHBondContact O-N 3.21Å
50A30.1Very low28.9Very low93 Ų93149.2 Ų149.277%0.76981%0.809SS**  trans-160.272.7168.100000111.8
51Q31.8Very low29Very low182 Ų182149.6 Ų149.685%0.8581%0.811SS**SBendtrans-15896.6152.5-109.7163.230.300107
52D31.2Very low29.1Very low159 Ų159145.5 Ų145.585%0.8580%0.804SS**  trans160.259148.6-78.7-15000110
53L29.8Very low29.2Very low132 Ų132149 Ų14969%0.69181%0.807SS**  trans-141.174.6166.5-78.9175.4000109.7
54W24.4Very low29.3Very low250 Ų250151.5 Ų151.595%0.94781%0.808SS**  trans-122.9114.5151.7-85.660.3000107.1E56W54-E56 PolarHBondContact O-N 2.76Å
55P26.7Very low29.5Very low125 Ų125158.3 Ų158.381%0.81282%0.817SS**  trans-70.8108.8169-12.127.2000109Q57P55-Q57 PolarHBondContact O-N 3.26Å; P55-Q57 VanDerWaalsContact O-N 3.15Å
56E30Very low29.8Very low163 Ų163153.5 Ų153.576%0.76281%0.808SS**  trans-68.898.7157.6-81.8-176.315100108.1W54W54-E56 PolarHBondContact O-N 2.76Å
57Q29.4Very low30.2Very low174 Ų174156.1 Ų156.181%0.81381%0.813SS**  trans-168.6117.8139.4-143.293.82500110.8P55P55-Q57 PolarHBondContact O-N 3.26Å; P55-Q57 VanDerWaalsContact O-N 3.15Å
58G33.1Very low30.2Very low73 Ų73158.4 Ų158.475%0.75382%0.818SS**SBendtrans103.958.8148.800000118.3
59M27.4Very low30Very low171 Ų171163.1 Ų163.184%0.84283%0.83SS**  trans-151.630.2155.3-85.1-142.9-65.400113.6
60E31.4Very low29.9Very low174 Ų174163 Ų16381%0.81382%0.823SS**SBendtrans-93.3-7.2176.1-14974.5-150.800113.5
61D30Very low29.8Very low162 Ų162168.8 Ų168.887%0.86683%0.827SS**SBendtrans-100.417.3-172.4-102.67.9000115
62S31.4Very low29.5Very low110 Ų110163.3 Ų163.377%0.76982%0.819SS**SBendtrans-1385.8-179.7-630000116.3
63F28.2Very low29.2Very low190 Ų190165.2 Ų165.283%0.83382%0.82SS**SBendtrans-110.19.2174.2-97-81.6000114.6
64Q35Very low29Very low186 Ų186170 Ų17087%0.86983%0.831SS**SBendtrans-96.313177.2-82.1-120.1-38.900115.2
65K31.4Very low28.9Very low213 Ų213161.2 Ų161.293%0.92682%0.818SS**SBendtrans-117.610.3-179-99.4-176.7178.9178.90117.1
66A29.2Very low29Very low90 Ų90164.2 Ų164.274%0.74482%0.82SS**SBendtrans-123.2-6.8-176.300000116.8
67I33Very low28.7Very low158 Ų158164.1 Ų164.181%0.8182%0.82SS**SBendtrans-140.589.8176.4-53.9179.4000109.5
68L26.9Very low28.5Very low164 Ų164162.9 Ų162.986%0.85982%0.819SS**  trans174.571.7145.9-93.2160.2000108.8
69R28.5Very low28.1Very low245 Ų245167.4 Ų167.493%0.92583%0.825SS**  trans-110.2127.7151.4-133.5-176.8-163.6-146.95.2105.3
70R29.9Very low28Very low208 Ų208167.9 Ų167.979%0.78583%0.825SS**SBendtrans79.1109.3-165.7-57.2-180-167.4174.94.4111.5
71Y27.9Very low27.7Very low215 Ų215166.9 Ų166.984%0.84382%0.824SS**  -154.7134.750.4-96.6-88.3000109
72G24.1Very low27.3Very low67 Ų67170.1 Ų170.169%0.69182%0.824SS**  trans-97.7161.3170.800000111
73K25.5Very low27.2Very low199 Ų199175 Ų17587%0.86583%0.832SS**  trans77.4105.7163.5-56.8-177.9177.1-176.40115.6
74Y25.5Very low27Very low234 Ų234169.5 Ų169.592%0.91883%0.829SS**  -161.9131.399.9-102.2-83.9000108.4
75G23.2Very low26.6Very low65 Ų65166.8 Ų166.867%0.6783%0.829SS**  trans-88.6151.2171.700000110.7
76H27.2Very low26.2Very low188 Ų188165.9 Ų165.987%0.8783%0.825SS**  trans-154141.5141.5-120.8-81.4000110.3
77E25.3Very low26.2Very low160 Ų160166.7 Ų166.775%0.74883%0.825SS**  trans-77.3161-168.3-60.7168.5140.600113.6
78N24.5Very low25.7Very low148 Ų148164.8 Ų164.879%0.79182%0.821SS**  trans40.2106142.3-71.1-43.5000119.2
79L25.6Very low25.6Very low168 Ų168164.5 Ų164.588%0.8882%0.82SS**  trans-141.4100144.1-103.6150.5000108.5
80Q25.4Very low25.4Very low182 Ų182161.5 Ų161.585%0.8582%0.816SS**  trans-68.4137.1154.9-75.8-159-0.200108.1
81L24.3Very low25Very low152 Ų152161.3 Ų161.380%0.79682%0.817SS**  trans-170.5113.3141.1-100.1160.1000111.7
82R21.8Very low24.9Very low231 Ų231157.3 Ų157.387%0.87280%0.804SS**  trans57.6123.6130.2-145.8172.8-165.2-1573.5121.3
83K28.7Very low24.8Very low212 Ų212161 Ų16192%0.92281%0.813SS**  trans-26.8133.1158.2-69.1172.7175.3174.70115.4
84G23.1Very low24.8Very low75 Ų75157.6 Ų157.677%0.77380%0.804SS**  trans-170107162.100000112.2
85C26.9Very low24.6Very low129 Ų129155.1 Ų155.187%0.87280%0.798SS**  trans-66.4128.4171.8-176.20000110.4
86K24.1Very low24.6Very low194 Ų194161.3 Ų161.384%0.84381%0.81SS**  trans-143.9119.4157.5-70.9-168.4179.8173.40111.3
87S27.8Very low24.4Very low106 Ų106155.6 Ų155.674%0.74180%0.802SS**  trans-49.1132.4157.349.80000110.8
88V24Very low24.3Very low119 Ų119159.5 Ų159.572%0.72181%0.811SS**  trans-117.8101.5164.7179.30000107.3E90V88-E90 HydrophobicContact CG1-CG 4.12Å
89D24.9Very low24.3Very low158 Ų158160.3 Ų160.385%0.84582%0.816SS**  trans-76.9125.3153.6-80.4-50.9000107.2
90E23.2Very low24.2Very low181 Ų181155.9 Ų155.985%0.84681%0.81SS**  trans-127103.9161.2-93-174.4163.400110V88V88-E90 HydrophobicContact CG1-CG 4.12Å
91Y22Very low24.2Very low204 Ų204155.2 Ų155.280%0.881%0.811SS**  trans-79.7142.9147.1-112.3-101.6000105.3
92K25.6Very low24.1Very low131 Ų131155.5 Ų155.557%0.5781%0.814SS**  cis175.7143.339-161.1173.6-150.3179.30108.3
93V23.3Very low24.4Very low145 Ų145151.9 Ų151.988%0.87981%0.807SS**  trans-134.1136.7145.4175.90000109.1
94N23.5Very low24.2Very low127 Ų127148 Ų14868%0.67981%0.805SS**  trans-49.6146.1-174.1-79.9-32.5000115.6
95K22.6Very low24.2Very low183 Ų183154.1 Ų154.180%0.79681%0.811SS**  96.4112.354.7-161.6-170.9-176-1710110.7
96E22.5Very low24.1Very low195 Ų195154.3 Ų154.391%0.91181%0.808SS**  trans133.9124.5162.4-78.3172.2-169.400109
97G23Very low24Very low68 Ų68151.8 Ų151.870%0.70181%0.809SS**  cis-164.2-170.45.200000113.2
98Y23.3Very low23.8Very low242 Ų242151.4 Ų151.495%0.94981%0.812SS**  trans88.5109.6173.1-69.6-79.9000120.9
99N24Very low23.8Very low165 Ų165154.6 Ų154.688%0.88282%0.82SS**  trans-82.9151.2155.2-75.6-50000109.9
100G24.9Very low23.8Very low74 Ų74152.4 Ų152.476%0.76382%0.816SS**  trans116.1122171.800000109.9
101L25.4Very low23.9Very low168 Ų168153.4 Ų153.488%0.8882%0.818SS**  cis-152.7144.224.7-96.8149.2000108.7
102N22Very low23.9Very low159 Ų159149.7 Ų149.785%0.8582%0.816SS**  trans-139.589.6159.3-145.512.8000106.5
103Q27.7Very low23.8Very low155 Ų155153 Ų15372%0.72483%0.831SS**  trans-163.9111.6156.4-108.8164.81400108.6
104C24.7Very low23.9Very low130 Ų130154.6 Ų154.688%0.87883%0.829SS**PPolyproline II helixtrans-65.8136.5165.5-670000109.5
105F23.1Very low23.8Very low204 Ų204154.4 Ų154.490%0.89584%0.836SS**PPolyproline II helixtrans-89.5132.6159.7-101.5-90.8000109.2
106T24.2Very low23.7Very low133 Ų133153 Ų15382%0.81684%0.837SS**PPolyproline II helixtrans-91139.3149.940.80000108.7
107T22.3Very low23.8Very low140 Ų140151.9 Ų151.986%0.85983%0.829SS**PPolyproline II helixtrans-64.2130.5-175.6-41.10000113.7
108A23.7Very low23.8Very low99 Ų99157.3 Ų157.382%0.81883%0.83SS**  trans-162.3125.4140.800000108.9
109Q24.6Very low23.8Very low186 Ų186151.7 Ų151.787%0.86982%0.815SS**  trans-67.8141-175.3-67.7166.5-29.700112.4
110S23.7Very low23.7Very low111 Ų111152.5 Ų152.578%0.77681%0.811SS**  -179.7125.712135.20000113.5
111K26.6Very low23.6Very low203 Ų203154.4 Ų154.488%0.88381%0.808SS**  trans67.993.8145.8-62.9-179179.8179.80120.2
112V21.9Very low23.4Very low125 Ų125154 Ų15476%0.75880%0.799SS**  -0.3125.7129.6-179.10000116.6
113F23.9Very low23.5Very low202 Ų202154.1 Ų154.189%0.88679%0.789SS**  -160136.2124-111.5-79.8000111.2
114Q23.4Very low23.3Very low178 Ų178153 Ų15383%0.83278%0.782SS**  trans-66.8148177.3-65.9168.8-34.600111.9
115C21.5Very low23.1Very low123 Ų123154.9 Ų154.983%0.83178%0.775SS**  -172.6117.6115.7-146.50000110.4
116D21.7Very low23.1Very low153 Ų153151.7 Ų151.782%0.81877%0.767SS**  trans-85134.3163-158.89.5000107
117K24.1Very low23Very low171 Ų171152.3 Ų152.374%0.74377%0.765SS**  trans-176.3115.1151.5-105.4-179-178.8178.90114
118Y23.2Very low23.1Very low183 Ų183149.9 Ų149.972%0.71875%0.754SS**  94.5116.7129.5-82.3-50.4000123.6
119L22.9Very low23Very low123 Ų123152.4 Ų152.464%0.64475%0.753SS**  trans64.6112.5133-79.4151000118
120K22.4Very low23.1Very low182 Ų182155 Ų15579%0.79176%0.755SS**  46.6125.683.4-84.7178.3174.6173.60112
121V23.1Very low23.7Very low115 Ų115154.7 Ų154.770%0.69775%0.751SS**  175.7125.4105.8156.20000109.9
122F21.7Very low23.6Very low158 Ų158155.2 Ų155.269%0.69375%0.753SS**  trans42.3151135.6-68.2-129.3000120.1
123Y23.1Very low23.8Very low163 Ų163156.6 Ų156.664%0.63975%0.754SS**  cis-163.7140.35.3-127.7-143.1000104.7
124K22.9Very low23.8Very low132 Ų132158.7 Ų158.757%0.57476%0.756SS**  80.6117.185.2-156178.9-173.7-1760114.6
125F21.6Very low23.9Very low169 Ų169158.4 Ų158.474%0.74176%0.755SS**  trans73.8142.3144.3-86.8-125.9000117.2
126L23.5Very low23.9Very low136 Ų136158.4 Ų158.471%0.71275%0.751SS**  cis-146.5138.45.1-86.7145.4000105.8
127N22.4Very low24Very low146 Ų146159.7 Ų159.778%0.78175%0.752SS**  61.5126.784.9-129.717.7000116.4
128S23Very low24.1Very low89 Ų89160.8 Ų160.862%0.62276%0.757SS**  trans95112.4151.1-58.10000120.9
129N22.9Very low24.2Very low152 Ų152162.3 Ų162.381%0.81377%0.767SS**  trans78.2104.4131.4-65.2-24000121.1
130R25.1Very low24.1Very low242 Ų242160.8 Ų160.891%0.91377%0.767SS**  45.2153.5119.8-92.8-153179.2176.61.3121.2
131P36.8Very low24.1Very low104 Ų104160.7 Ų160.768%0.67577%0.767SS**  trans-104.5162.3-134.340.1-34.2000113.3
132K24Very low24.1Very low213 Ų213164.4 Ų164.493%0.92677%0.773SS**  trans-165.6152.9143.7-108163.5-172.5-176.60112.7
133I27Very low24.1Very low154 Ų154161.5 Ų161.579%0.7977%0.772SS**  trans-85.6141.3-164.3-67.1153.9000111.6
134R24.2Very low24.2Very low246 Ų246164 Ų16493%0.92879%0.786SS**  trans-169.9129.7134.1-108.8175.9178.1-176.1-1.3111.7
135H24.1Very low24.4Very low172 Ų172166 Ų16680%0.79680%0.795SS**  trans-63.6160159.9-65.7-79.6000109
136T23.2Very low24.6Very low123 Ų123168.8 Ų168.876%0.75580%0.8SS**  cis-150.2168.934.438.10000105.9
137E23.9Very low24.7Very low181 Ų181167.1 Ų167.185%0.84680%0.795SS**  cis-176.7166.145.7-146161.9-140.100109.7
138K26.2Very low25.1Very low193 Ų193168.5 Ų168.584%0.83979%0.794SS**  trans-70.2151.8-168.3-66.5160.3170.6169.10114.5
139K23.6Very low25.3Very low216 Ų216169.7 Ų169.794%0.93979%0.793SS**  -152.1142.3128.6-107.4170.6-169.61790111.5
140S21.6Very low25.3Very low90 Ų90171.3 Ų171.363%0.62979%0.793SS**  trans-112.4176.5-166.948.30000112.2
141F22.2Very low25.2Very low181 Ų181163.5 Ų163.579%0.79478%0.775SS**  trans98.4139168.2-61.3-74.7000115
142K24Very low24.6Very low192 Ų192166.6 Ų166.684%0.83578%0.782SS**  cis-153.6145.410.5-141.3160.7-167.1-1790110.3
143C20.7Very low24.6Very low97 Ų97164.1 Ų164.166%0.65578%0.778SS**  trans-83.2149177.2178.10000111.5K145C143-K145 PolarHBondContact SG-N 2.82Å; C143-K145 VanDerWaalsContact SG-N 3.4Å
144K25.4Very low24.5Very low215 Ų215161.9 Ų161.994%0.93578%0.776SS**  trans-112.3107.2145.3-95.2-177.9175.3178.20108.5
145K26.2Very low24.7Very low175 Ų175159.2 Ų159.276%0.76177%0.774SS**  trans-68.2159.5160.7-71.3168.8165.4166.80108C143C143-K145 PolarHBondContact SG-N 2.82Å; C143-K145 VanDerWaalsContact SG-N 3.4Å
146R27.3Very low24.9Very low228 Ų228160.4 Ų160.486%0.8678%0.777SS**  -176.4157.857.5-93.4-165.1158.4157.6-4.9105.7
147V25.7Very low25.2Very low100 Ų100160.6 Ų160.661%0.60678%0.778SS**  cis-173.11265.5133.40000104.4
148K29.2Very low25.5Very low176 Ų176160.8 Ų160.877%0.76578%0.779SS**  78.314385.6-114.3-178.4160.7-164.20110.3
149L27.9Very low25.5Very low113 Ų113160.8 Ų160.859%0.59278%0.781SS**  cis-163.4154.926-115.6126.2000105.3
150F22.6Very low25.7Very low187 Ų187159.9 Ų159.982%0.8278%0.778SS**SBend-157.5126.171.4-143.7-98.4000112.8
151C23.4Very low25.8Very low78 Ų78161 Ų16153%0.52779%0.785SS.*  trans53.1114.6156.3-71.40000120
152M23.6Very low26.3Very low169 Ų169158.5 Ų158.583%0.83378%0.779SS**  cis54.474.828.8-69.8-66.6-7700115.5
153L25.4Very low26.6Very low161 Ų161161 Ų16184%0.84379%0.785SS**  trans-151101.4139.4-90.7120.3000104.7
154S24.2Very low27Very low106 Ų106163.6 Ų163.674%0.74179%0.787SS**  178.730.79557.70000113.6K156S154-K156 VanDerWaalsContact C-N 3.29Å; S154-K156 PolarHBondContact O-N 3.02Å
155H29.5Very low27.4Very low190 Ų190163.9 Ų163.988%0.8878%0.782SS**  trans-8172.2170.2-102.1-99.3000111.4
156K27.8Very low28Very low198 Ų198164.1 Ų164.186%0.86179%0.786SS**  trans-159.134.6165.2-135.4-178-178-176.70117.9S154S154-K156 VanDerWaalsContact C-N 3.29Å; S154-K156 PolarHBondContact O-N 3.02Å
157T28.5Very low28.8Very low127 Ų127160.9 Ų160.978%0.77978%0.778SS**SBendtrans-148.677.8165.849.80000110.5
158Q29.6Very low29.9Very low184 Ų184159.2 Ų159.286%0.8677%0.771SS**SBendtrans-167.914.4155.8-113.9165.722.700119.4
159H27.3Very low30.8Very low193 Ų193155.3 Ų155.389%0.89475%0.752SS**SBendtrans-153.484.1169.7-105.8-78.1000113.9
160K27.2Very low31.7Very low198 Ų198156.6 Ų156.686%0.86175%0.753SS**SBendtrans-179.1141.8131-103.8175.4179.2-177.90111.8
161S24.8Very low33.1Very low112 Ų112147.8 Ų147.878%0.78371%0.714SS**  trans74.8125.3-168.779.90000111.5
162I31.3Very low34.5Very low129 Ų129153.4 Ų153.466%0.66273%0.73SS**  cis-155.5125.443.6-72.6170.2000109.4H164I162-H164 HydrophobicContact CG2-CB 3.35Å; I162-H164 VanDerWaalsContact CG2-CD2 3.43Å; I162-H164 WeakPolarHBondContact CG2-CD2 3.49Å; I162-H164 VanDerWaalsContact CG2-N 3.33Å; I162-H164 PolarHBondContact O-N 3.5Å
163Y30.6Very low35.9Very low245 Ų245151.5 Ų151.596%0.96172%0.719SS**  trans-77.398.4150.6-148.5-92.9000105.1
164H29.4Very low37.5Very low151 Ų151145.6 Ų145.670%0.69969%0.69SS**  trans-137.8113.9163.3-102.9-72.9000107.1I162I162-H164 HydrophobicContact CG2-CB 3.35Å; I162-H164 VanDerWaalsContact CG2-CD2 3.43Å; I162-H164 WeakPolarHBondContact CG2-CD2 3.49Å; I162-H164 VanDerWaalsContact CG2-N 3.33Å; I162-H164 PolarHBondContact O-N 3.5Å
165R33.3Very low39Very low222 Ų222142.9 Ų142.984%0.83868%0.68SS**  trans39.898.1134.7-149.3173.7-171.3177.82.3114.1K167R165-K167 PolarHBondContact O-N 3.17Å
166E39Very low40.3Very low179 Ų179139.7 Ų139.784%0.83666%0.663SS**  trans-46.998.1168.7-69.3177.6150.700110.2S168E166-S168 PolarHBondContact O-N 2.82Å; E166-S168 VanDerWaalsContact O-N 3.1Å
167K43.8Very low41.1Very low161 Ų161133.7 Ų133.770%0.764%0.643SS**  trans-76.494.8165.9-86.2-175.5176.8178.60106.7R165 Y169R165-K167 PolarHBondContact O-N 3.17Å; K167-Y169 WeakPolarHBondContact O-CD2 3.28Å; K167-Y169 WeakPolarHBondContact O-CE2 3.23Å
168S48.8Very low42.6Very low65 Ų65129.6 Ų129.646%0.45562%0.615SS.*  trans-71.2123.8166.964.50000109.3E166E166-S168 PolarHBondContact O-N 2.82Å; E166-S168 VanDerWaalsContact O-N 3.1Å
169Y48.8Very low43.3Very low93 Ų93126.4 Ų126.437%0.36560%0.603SS.*EExtended strand (participates in β ladder)trans-92.7112.7175-58-90.4000109.5K167 T177 F178K167-Y169 WeakPolarHBondContact O-CD2 3.28Å; K167-Y169 WeakPolarHBondContact O-CE2 3.23Å; Y169-T177 CarbonylContact O-C 3.55Å; Y169-T177 WeakPolarHBondContact O-CA 3.33Å; Y169-F178 PolarHBondContact N-O 3.03Å; Y169-F178 PolarHBondContact O-N 3.39Å
170K46.9Very low44.3Very low141 Ų141126.3 Ų126.361%0.61360%0.595SS**EExtended strand (participates in β ladder)trans-85.7130.3175-79.8-173.9177-179.40111.2K172 K176 T177K170-K172 PolarHBondContact O-N 2.7Å; K170-K176 WeakPolarHBondContact CA-O 3.46Å; K170-T177 HydrophobicContact CD-CG2 3.97Å; K170-T177 VanDerWaalsContact CE-CG2 3.44Å; K170-T177 HydrophobicContact CG-CG2 3.24Å
171C51.6Low45.2Very low2 Ų2119.9 Ų119.91%0.01458%0.575CS.*  trans-68.8120.7164.9-173.70000109.2E173 C174 G175 K176 F178 L184C171-E173 PolarHBondContact O-N 3.24Å; C171-C174 VanDerWaalsContact CB-SG 3.55Å; C171-C174 VanDerWaalsContact SG-SG 3.66Å; C171-G175 WeakPolarHBondContact O-CA 3.41Å; C171-G175 PolarHBondContact O-N 3.44Å; C171-K176 PolarHBondContact N-O 3.2Å; C171-F178 HydrophobicContact CB-CE2 4.45Å; C171-L184 HydrophobicContact CB-CD1 3.67Å
172K52.9Low46.4Very low196 Ų196117.1 Ų117.185%0.85256%0.556SS**THydrogen-bonded Turntrans-67.5-21.3-179.8-71.7-172.5176.6-175.40113.7K170K170-K172 PolarHBondContact O-N 2.7Å
173E52.8Low47.3Very low129 Ų129114.2 Ų114.260%0.60354%0.544SS*.THydrogen-bonded Turntrans-91-28.7-177.5-70.9168.1-167.900113.8C171C171-E173 PolarHBondContact O-N 3.24Å
174C59.1Low48.3Very low36 Ų36103.4 Ų103.424%0.24350%0.503CS..THydrogen-bonded Turntrans-127.81.6-176.875.70000114.9C171 K176 H187C171-C174 VanDerWaalsContact CB-SG 3.55Å; C171-C174 VanDerWaalsContact SG-SG 3.66Å; C174-K176 PolarHBondContact O-N 3.24Å; C174-K176 VanDerWaalsContact O-N 3.1Å; C174-H187 PolarHBondContact SG-CE1 3.41Å
175G55.9Low49.4Very low50 Ų5099.6 Ų99.652%0.51549%0.491SS..  trans73.3-5.4175.100000116.7C171C171-G175 WeakPolarHBondContact O-CA 3.41Å; C171-G175 PolarHBondContact O-N 3.44Å
176K55.9Low50.3Low122 Ų12293.3 Ų93.353%0.5347%0.474SS..  trans-73.7135.1-176.7-65.9179.1-176.3171.90112.8K170 C171 C174 F178K170-K176 WeakPolarHBondContact CA-O 3.46Å; C171-K176 PolarHBondContact N-O 3.2Å; C174-K176 PolarHBondContact O-N 3.24Å; C174-K176 VanDerWaalsContact O-N 3.1Å; K176-F178 HydrophobicContact CB-CE2 3.77Å; K176-F178 HydrophobicContact CB-CZ 3.95Å; K176-F178 WeakPolarHBondContact O-CE2 3.31Å
177T44.6Very low51.1Low73 Ų7386.3 Ų86.345%0.44844%0.441SS..EExtended strand (participates in β ladder)trans-90.8131.1175.828.50000112.2Y169 K170Y169-T177 CarbonylContact O-C 3.55Å; Y169-T177 WeakPolarHBondContact O-CA 3.33Å; K170-T177 HydrophobicContact CD-CG2 3.97Å; K170-T177 VanDerWaalsContact CE-CG2 3.44Å; K170-T177 HydrophobicContact CG-CG2 3.24Å
178F60.6Low51.4Low41 Ų4183.9 Ų83.918%0.1843%0.427CS..EExtended strand (participates in β ladder)trans-120142.4175-61-86.6000110.7Y169 C171 K176 L184 H187Y169-F178 PolarHBondContact N-O 3.03Å; Y169-F178 PolarHBondContact O-N 3.39Å; C171-F178 HydrophobicContact CB-CE2 4.45Å; K176-F178 HydrophobicContact CB-CE2 3.77Å; K176-F178 HydrophobicContact CB-CZ 3.95Å; K176-F178 WeakPolarHBondContact O-CE2 3.31Å; F178-L184 HydrophobicContact CB-CB 4.3Å; F178-L184 HydrophobicContact CD2-CB 4.2Å; F178-L184 HydrophobicContact CD2-CD1 3.6Å; F178-L184 HydrophobicContact CE2-CD1 3.97Å; F178-L184 HydrophobicContact CG-CB 4.4Å; F178-H187 HydrophobicContact CE1-CB 4.21Å; F178-H187 HydrophobicContact CE2-CB 4.15Å; F178-H187 AromaticContact CE2-CG 3.85Å; F178-H187 HydrophobicContact CZ-CB 3.8Å; F178-H187 AromaticContact CZ-CD2 3.3Å; F178-H187 WeakPolarHBondContact CZ-CD2 3.3Å; F178-H187 AromaticContact CZ-CG 3.47Å; F178-H187 VanDerWaalsContact CZ-CG 3.47Å; F178-H187 AromaticContact CZ-NE2 3.95Å
179N44.6Very low51.7Low116 Ų11686.5 Ų86.562%0.6243%0.43SS*.SBendtrans-83.1-17.8-175.5-66.4-5.7000112.7
180W49.1Very low51.9Low191 Ų19188.7 Ų88.772%0.72345%0.447SS*.SBendtrans-127.2142.8176.1-92.835.3000111.2S182 T183 L184W180-S182 VanDerWaalsContact C-N 3.33Å; W180-S182 PolarHBondContact O-N 2.83Å; W180-T183 WeakPolarHBondContact CB-OG1 3.43Å; W180-T183 PolarHBondContact O-N 3.34Å; W180-T183 PolarHBondContact O-OG1 2.82Å; W180-L184 PolarHBondContact O-N 3.41Å
181S45.9Very low51.8Low63 Ų6388.5 Ų88.544%0.44144%0.443SS..Hα-helixtrans-64.6-36.7179.158.90000112.1T183 L184 T185S181-T183 VanDerWaalsContact C-N 3.29Å; S181-T183 PolarHBondContact O-N 3.09Å; S181-L184 WeakPolarHBondContact O-CB 3.46Å; S181-L184 PolarHBondContact O-N 3.28Å; S181-L184 VanDerWaalsContact O-N 3.07Å; S181-T185 PolarHBondContact O-N 3.1Å; S181-T185 PolarHBondContact O-OG1 3.01Å
182S49.1Very low51.2Low55 Ų5592.9 Ų92.939%0.38547%0.47SS..Hα-helixtrans-61.2-35.1177.256.40000113.1W180 T185 N186W180-S182 VanDerWaalsContact C-N 3.33Å; W180-S182 PolarHBondContact O-N 2.83Å; S182-T185 PolarHBondContact O-N 2.89Å; S182-N186 PolarHBondContact O-N 3.05Å
183T51.7Low50.4Low67 Ų6791 Ų9141%0.41147%0.465SS..Hα-helixtrans-71.2-34.6172.929.90000113.1W180 S181 H187W180-T183 WeakPolarHBondContact CB-OG1 3.43Å; W180-T183 PolarHBondContact O-N 3.34Å; W180-T183 PolarHBondContact O-OG1 2.82Å; S181-T183 VanDerWaalsContact C-N 3.29Å; S181-T183 PolarHBondContact O-N 3.09Å; T183-H187 WeakPolarHBondContact O-CB 3.39Å; T183-H187 PolarHBondContact O-N 3.07Å
184L50.2Low49.3Very low18 Ų1893.9 Ų93.99%0.09448%0.478CS..Hα-helixtrans-67.8-39.8170.8178.873000111.1C171 F178 W180 S181 N186 H187 R188C171-L184 HydrophobicContact CB-CD1 3.67Å; F178-L184 HydrophobicContact CB-CB 4.3Å; F178-L184 HydrophobicContact CD2-CB 4.2Å; F178-L184 HydrophobicContact CD2-CD1 3.6Å; F178-L184 HydrophobicContact CE2-CD1 3.97Å; F178-L184 HydrophobicContact CG-CB 4.4Å; W180-L184 PolarHBondContact O-N 3.41Å; S181-L184 WeakPolarHBondContact O-CB 3.46Å; S181-L184 PolarHBondContact O-N 3.28Å; S181-L184 VanDerWaalsContact O-N 3.07Å; L184-N186 VanDerWaalsContact C-N 3.33Å; L184-N186 PolarHBondContact O-N 2.84Å; L184-H187 PolarHBondContact O-N 3.48Å; L184-R188 PolarHBondContact O-N 3.07Å
185T52.8Low47.9Very low71 Ų71101.7 Ų101.744%0.43651%0.508SS..Hα-helixtrans-63.3-40.2177.7-450000111.2S181 S182 K189S181-T185 PolarHBondContact O-N 3.1Å; S181-T185 PolarHBondContact O-OG1 3.01Å; S182-T185 PolarHBondContact O-N 2.89Å; T185-K189 VanDerWaalsContact O-CG 3.26Å; T185-K189 WeakPolarHBondContact O-CG 3.43Å; T185-K189 PolarHBondContact O-N 3.37Å; T185-K189 VanDerWaalsContact O-N 3.07Å
186N52.6Low46.8Very low90 Ų90103.8 Ų103.848%0.48151%0.512SS..Hα-helixtrans-70.5-37.1174.2-73.1-12.5000112.5S182 L184 K189 I190S182-N186 PolarHBondContact O-N 3.05Å; L184-N186 VanDerWaalsContact C-N 3.33Å; L184-N186 PolarHBondContact O-N 2.84Å; N186-K189 PolarHBondContact O-N 3.11Å; N186-I190 WeakPolarHBondContact O-CD1 3Å; N186-I190 VanDerWaalsContact O-CG1 3.26Å; N186-I190 WeakPolarHBondContact O-CG1 3.45Å; N186-I190 PolarHBondContact O-N 3.37Å; N186-I190 VanDerWaalsContact O-N 3.17Å
187H54.8Low45.2Very low32 Ų32107.3 Ų107.315%0.14852%0.524CS..Hα-helixtrans-65.4-40.1173.8177.7-74.9000112.3C174 F178 T183 L184 I190 Y191C174-H187 PolarHBondContact SG-CE1 3.41Å; F178-H187 HydrophobicContact CE1-CB 4.21Å; F178-H187 HydrophobicContact CE2-CB 4.15Å; F178-H187 AromaticContact CE2-CG 3.85Å; F178-H187 HydrophobicContact CZ-CB 3.8Å; F178-H187 AromaticContact CZ-CD2 3.3Å; F178-H187 WeakPolarHBondContact CZ-CD2 3.3Å; F178-H187 AromaticContact CZ-CG 3.47Å; F178-H187 VanDerWaalsContact CZ-CG 3.47Å; F178-H187 AromaticContact CZ-NE2 3.95Å; T183-H187 WeakPolarHBondContact O-CB 3.39Å; T183-H187 PolarHBondContact O-N 3.07Å; L184-H187 PolarHBondContact O-N 3.48Å; H187-I190 PolarHBondContact O-N 2.94Å; H187-Y191 AromaticContact CE1-CD2 3.94Å; H187-Y191 PolarHBondContact O-N 3.39Å
188R50.3Low44.2Very low110 Ų110112.9 Ų112.942%0.41554%0.542SS..Hα-helixtrans-63.5-42.5174-80.5-176.3175-179.1-2.8111.8L184 I190 Y191 T192L184-R188 PolarHBondContact O-N 3.07Å; R188-I190 PolarHBondContact O-N 3.28Å; R188-Y191 PolarHBondContact O-N 3.41Å; R188-Y191 VanDerWaalsContact O-N 3.1Å; R188-T192 PolarHBondContact O-N 3.39Å; R188-T192 PolarHBondContact O-OG1 3.3Å
189K56Low42.7Very low120 Ų120116.9 Ų116.952%0.52257%0.573SS.*Hα-helixtrans-59.6-31.4175.5-75.5175.2177-171.40113.6T185 N186T185-K189 VanDerWaalsContact O-CG 3.26Å; T185-K189 WeakPolarHBondContact O-CG 3.43Å; T185-K189 PolarHBondContact O-N 3.37Å; T185-K189 VanDerWaalsContact O-N 3.07Å; N186-K189 PolarHBondContact O-N 3.11Å
190I52.6Low41.8Very low139 Ų139120.3 Ų120.371%0.71359%0.586SS**Hα-helixtrans-81.5-25.6177.8-64.3163000111.9N186 H187 R188N186-I190 WeakPolarHBondContact O-CD1 3Å; N186-I190 VanDerWaalsContact O-CG1 3.26Å; N186-I190 WeakPolarHBondContact O-CG1 3.45Å; N186-I190 PolarHBondContact O-N 3.37Å; N186-I190 VanDerWaalsContact O-N 3.17Å; H187-I190 PolarHBondContact O-N 2.94Å; R188-I190 PolarHBondContact O-N 3.28Å
191Y44.8Very low40.9Very low137 Ų137118.8 Ų118.854%0.53759%0.587SS.*Hα-helixtrans-89.4-14.5-177.1-137.9-93.7000113.5H187 R188H187-Y191 AromaticContact CE1-CD2 3.94Å; H187-Y191 PolarHBondContact O-N 3.39Å; R188-Y191 PolarHBondContact O-N 3.41Å; R188-Y191 VanDerWaalsContact O-N 3.1Å
192T38.2Very low40Very low94 Ų94124.8 Ų124.858%0.57760%0.601SS**SBendtrans-110.913.7-177.756.50000114.7R188R188-T192 PolarHBondContact O-N 3.39Å; R188-T192 PolarHBondContact O-OG1 3.3Å
193E36.3Very low38.9Very low158 Ų158128.9 Ų128.974%0.73862%0.618SS**  trans-112.780.3173.8-75.5-178.3-173.800110.7K195E193-K195 PolarHBondContact O-N 3.1Å
194E29.6Very low37.8Very low189 Ų189136.1 Ų136.188%0.88364%0.644SS**  trans-62.2117.7147.2-72-175.5155.400107.3
195K30.6Very low36.7Very low200 Ų200140.7 Ų140.787%0.8768%0.677SS**  trans-57.4131.8164.1-81.5-178.4176.3-179.70107.1E193E193-K195 PolarHBondContact O-N 3.1Å
196P32Very low36Very low93 Ų93142.6 Ų142.660%0.60469%0.691SS**  -151.9161.884.635.4-14.3000116.8
197Y24.1Very low35Very low197 Ų197148.2 Ų148.277%0.77371%0.711SS**  trans103.2131.1150.5-63.5-68.5000121.8
198K23.2Very low34.1Very low190 Ų190153.2 Ų153.283%0.82674%0.735SS**  trans36.8126.4132.8-69.3176174.5-1750118.9
199C27.7Very low33.2Very low125 Ų125155.2 Ų155.285%0.84575%0.753SS**  trans-64.6130.7162.9-175.30000111
200E26.3Very low32.4Very low188 Ų188153.5 Ų153.588%0.87976%0.756SS**  trans-152.5111.4152.2-107.8172.6-153.100109.5
201E31.1Very low31.7Very low159 Ų159150 Ų15074%0.74374%0.742SS**  trans46.1123.2139.8-78.4-166.5162.900124.7
202Y26.7Very low31.5Very low188 Ų188148.2 Ų148.274%0.73774%0.74SS**  trans68108.1146.8-78.9-80.9000121.7
203N25.5Very low32.1Very low141 Ų141147.1 Ų147.175%0.75473%0.734SS**  159.4105.9100.7-87.4-47.2000114
204K28.2Very low32.6Very low220 Ų220142.6 Ų142.696%0.95772%0.717SS**  trans-175.5119.6140.8-101.2163.5-169.4178.40110.6
205S27.1Very low33.4Very low113 Ų113138.8 Ų138.879%0.7970%0.699SS**  trans-100.2-179.8177.556.90000111.2
206P37.8Very low34.2Very low112 Ų112134.4 Ų134.473%0.72768%0.682SS**  -131.9115.1-59.533.8-17.1000110.7
207K32Very low35.1Very low207 Ų207131.5 Ų131.590%0.966%0.661SS**SBendtrans-138.9111.5156.6-73.4-170.1-179.7175.60109
208Q37.2Very low36.3Very low137 Ų137125.3 Ų125.364%0.6464%0.64SS**  trans89.868.4179.2-49.6-171.4-12.800116.1S210 T211Q208-S210 PolarHBondContact O-N 2.92Å; Q208-T211 HydrophobicContact CB-CG2 4.33Å; Q208-T211 WeakPolarHBondContact CB-OG1 3.46Å; Q208-T211 PolarHBondContact O-N 3.19Å; Q208-T211 PolarHBondContact O-OG1 2.86Å; Q208-T211 PolarHBondContact OE1-OG1 3.16Å
209L30.6Very low37.5Very low153 Ų153123.1 Ų123.180%0.80163%0.633SS**Hα-helixtrans-65.5-16.8168.2-165.566.7000113T213L209-T213 PolarHBondContact O-OG1 3.32Å
210S39.9Very low38.7Very low84 Ų84120.3 Ų120.359%0.58762%0.619SS**Hα-helixtrans-82.7-24.2177.657.90000114.3Q208 T214Q208-S210 PolarHBondContact O-N 2.92Å; S210-T214 PolarHBondContact O-OG1 3.13Å
211T37.4Very low39.8Very low66 Ų66114 Ų11441%0.40560%0.604SS.*Hα-helixtrans-87.8-25.4179.2460000112.8Q208 T214 H215Q208-T211 HydrophobicContact CB-CG2 4.33Å; Q208-T211 WeakPolarHBondContact CB-OG1 3.46Å; Q208-T211 PolarHBondContact O-N 3.19Å; Q208-T211 PolarHBondContact O-OG1 2.86Å; Q208-T211 PolarHBondContact OE1-OG1 3.16Å; T211-T214 WeakPolarHBondContact CA-OG1 3.46Å; T211-T214 PolarHBondContact O-OG1 3.29Å; T211-H215 VanDerWaalsContact O-CB 3.32Å; T211-H215 WeakPolarHBondContact O-CB 3.4Å; T211-H215 PolarHBondContact O-N 2.96Å; T211-H215 VanDerWaalsContact O-N 3.15Å
212L40Very low40.9Very low98 Ų98112.1 Ų112.151%0.51360%0.595SS.*Hα-helixtrans-73.5-47.1178-153.383.1000111.3T214 H215 E216L212-T214 VanDerWaalsContact C-N 3.33Å; L212-T214 PolarHBondContact O-N 3Å; L212-H215 PolarHBondContact O-N 3.22Å; L212-H215 VanDerWaalsContact O-N 3.1Å; L212-E216 WeakPolarHBondContact O-CG 3.19Å; L212-E216 PolarHBondContact O-N 3.11Å
213T51Low42.3Very low71 Ų71109.5 Ų109.544%0.43659%0.588SS.*Hα-helixtrans-59.3-42.5175.719.70000111.8L209 H215 I217L209-T213 PolarHBondContact O-OG1 3.32Å; T213-H215 PolarHBondContact O-N 2.91Å; T213-I217 WeakPolarHBondContact O-CB 3.06Å; T213-I217 WeakPolarHBondContact O-CD1 3.1Å; T213-I217 WeakPolarHBondContact O-CG1 3.35Å; T213-I217 PolarHBondContact O-N 3.42Å; T213-I217 VanDerWaalsContact O-N 3.1Å
214T46.2Very low43.9Very low63 Ų63107.4 Ų107.439%0.38758%0.576SS.*Hα-helixtrans-70-29.5177.145.50000113.3S210 T211 L212 I218S210-T214 PolarHBondContact O-OG1 3.13Å; T211-T214 WeakPolarHBondContact CA-OG1 3.46Å; T211-T214 PolarHBondContact O-OG1 3.29Å; L212-T214 VanDerWaalsContact C-N 3.33Å; L212-T214 PolarHBondContact O-N 3Å; T214-I218 WeakPolarHBondContact O-CD1 3.41Å; T214-I218 WeakPolarHBondContact O-CG1 3.1Å; T214-I218 PolarHBondContact O-N 3.32Å
215H47.7Very low45.5Very low109 Ų109101.5 Ų101.551%0.50555%0.549SS..Hα-helixtrans-75.1-41.8176.2-174.3-83.8000112T211 L212 T213 I218 H219T211-H215 VanDerWaalsContact O-CB 3.32Å; T211-H215 WeakPolarHBondContact O-CB 3.4Å; T211-H215 PolarHBondContact O-N 2.96Å; T211-H215 VanDerWaalsContact O-N 3.15Å; L212-H215 PolarHBondContact O-N 3.22Å; L212-H215 VanDerWaalsContact O-N 3.1Å; T213-H215 PolarHBondContact O-N 2.91Å; H215-I218 PolarHBondContact O-N 2.89Å; H215-H219 AromaticContact CE1-CD2 3.25Å; H215-H219 PolarHBondContact CE1-CD2 2.85Å; H215-H219 AromaticContact CE1-NE2 3.31Å; H215-H219 PolarHBondContact CE1-NE2 2.97Å; H215-H219 VanDerWaalsContact CE1-NE2 3.31Å; H215-H219 AromaticContact ND1-CD2 3.57Å; H215-H219 AromaticContact NE2-CD2 3.8Å; H215-H219 AromaticContact NE2-NE2 3.57Å; H215-H219 PolarHBondContact O-CD2 2.73Å; H215-H219 PolarHBondContact O-N 3.12Å
216E46.3Very low46.9Very low108 Ų108103.1 Ų103.151%0.50554%0.541SS..Hα-helixtrans-64.9-40177.1-70.9168.2167.500112L212 I218 H219 A220L212-E216 WeakPolarHBondContact O-CG 3.19Å; L212-E216 PolarHBondContact O-N 3.11Å; E216-I218 VanDerWaalsContact C-N 3.31Å; E216-I218 PolarHBondContact O-N 3.22Å; E216-H219 PolarHBondContact O-N 3.48Å; E216-A220 WeakPolarHBondContact O-CB 3.37Å; E216-A220 PolarHBondContact O-N 3.45Å
217I52.4Low48.2Very low32 Ų3297.9 Ų97.916%0.16451%0.507CS..Hα-helixtrans-64.4-33.4174.9-68.4163.6000112.2T213 G221 E222 L224T213-I217 WeakPolarHBondContact O-CB 3.06Å; T213-I217 WeakPolarHBondContact O-CD1 3.1Å; T213-I217 WeakPolarHBondContact O-CG1 3.35Å; T213-I217 PolarHBondContact O-N 3.42Å; T213-I217 VanDerWaalsContact O-N 3.1Å; I217-G221 PolarHBondContact O-N 2.86Å; I217-E222 WeakPolarHBondContact CG2-O 2.89Å; I217-L224 HydrophobicContact CD1-CD1 3.58Å; I217-L224 HydrophobicContact CG1-CD1 3.85Å; I217-L224 HydrophobicContact CG2-CD1 3.91Å
218I48.7Very low49.7Very low67 Ų6796.9 Ų96.934%0.34451%0.506SS..Hα-helixtrans-72.9-36.1178.3-68.8162.7000111.3T214 H215 E216T214-I218 WeakPolarHBondContact O-CD1 3.41Å; T214-I218 WeakPolarHBondContact O-CG1 3.1Å; T214-I218 PolarHBondContact O-N 3.32Å; H215-I218 PolarHBondContact O-N 2.89Å; E216-I218 VanDerWaalsContact C-N 3.31Å; E216-I218 PolarHBondContact O-N 3.22Å
219H48.7Very low50.7Low144 Ų14497 Ų9767%0.66751%0.507SS*.Hα-helixtrans-78.5-29.2177.7-84.9-80000113.3H215 E216H215-H219 AromaticContact CE1-CD2 3.25Å; H215-H219 PolarHBondContact CE1-CD2 2.85Å; H215-H219 AromaticContact CE1-NE2 3.31Å; H215-H219 PolarHBondContact CE1-NE2 2.97Å; H215-H219 VanDerWaalsContact CE1-NE2 3.31Å; H215-H219 AromaticContact ND1-CD2 3.57Å; H215-H219 AromaticContact NE2-CD2 3.8Å; H215-H219 AromaticContact NE2-NE2 3.57Å; H215-H219 PolarHBondContact O-CD2 2.73Å; H215-H219 PolarHBondContact O-N 3.12Å; E216-H219 PolarHBondContact O-N 3.48Å
220A51.2Low52.2Low67 Ų6792.5 Ų92.555%0.55449%0.487SS*.Hα-helixtrans-80.7-13.2176.700000114.1E216 E222E216-A220 WeakPolarHBondContact O-CB 3.37Å; E216-A220 PolarHBondContact O-N 3.45Å; A220-E222 HydrophobicContact CB-CG 4.2Å; A220-E222 PolarHBondContact O-N 3.39Å
221G50.8Low53.3Low56 Ų5691 Ų9158%0.57749%0.485SS*.THydrogen-bonded Turntrans71.38.5179.900000114.7I217 K223I217-G221 PolarHBondContact O-N 2.86Å; G221-K223 PolarHBondContact O-N 3.3Å
222E53.8Low54.3Low118 Ų11893 Ų9355%0.55149%0.49SS*.  trans-73.1118.9-178.6-67.5-169160.500111.3I217 A220 L224I217-E222 WeakPolarHBondContact CG2-O 2.89Å; A220-E222 HydrophobicContact CB-CG 4.2Å; A220-E222 PolarHBondContact O-N 3.39Å; E222-L224 PolarHBondContact O-N 3.44Å
223K56.3Low55.3Low134 Ų13489.4 Ų89.458%0.58348%0.475SS*.  trans-95.384.3179.3-65.3172.3169-169.70109.9G221 A233 F234G221-K223 PolarHBondContact O-N 3.3Å; K223-A233 HydrophobicContact CB-CB 3.43Å; K223-A233 VanDerWaalsContact CB-CB 3.43Å; K223-A233 HydrophobicContact CD-CB 3.98Å; K223-A233 VanDerWaalsContact CD-O 3.31Å; K223-A233 WeakPolarHBondContact CD-O 3.37Å; K223-A233 HydrophobicContact CG-CB 4.31Å; K223-F234 CarbonylContact C-O 3.21Å
224L58.2Low56.3Low97 Ų9787.8 Ų87.851%0.50846%0.462SS..  trans-73.9-26.8-173.9-77.1150.8000114.6I217 E222 F234I217-L224 HydrophobicContact CD1-CD1 3.58Å; I217-L224 HydrophobicContact CG1-CD1 3.85Å; I217-L224 HydrophobicContact CG2-CD1 3.91Å; E222-L224 PolarHBondContact O-N 3.44Å; L224-F234 PolarHBondContact N-O 3.26Å
225Y61.7Low56.7Low96 Ų9687.7 Ų87.738%0.37646%0.458SS..EExtended strand (participates in β ladder)trans-104.396.6-171.6-59.8-76.9000111.1A233 F234 R236 S237Y225-A233 CarbonylContact O-C 3.38Å; Y225-A233 WeakPolarHBondContact O-CA 3.2Å; Y225-F234 PolarHBondContact N-O 3.41Å; Y225-F234 WeakPolarHBondContact O-CD2 3.4Å; Y225-F234 PolarHBondContact O-N 3.47Å; Y225-R236 VanDerWaalsContact CD2-C 3.45Å; Y225-S237 VanDerWaalsContact CD2-N 3.34Å
226K56.4Low57.5Low146 Ų14688 Ų8864%0.63546%0.455SS*.EExtended strand (participates in β ladder)trans-90137.5-179.4-62.7-177.8-178.7175.80111.6E232 A233K226-E232 CarbonylContact C-O 3.56Å; K226-E232 WeakPolarHBondContact CA-O 3.31Å; K226-A233 HydrophobicContact CG-CB 3.76Å
227C66.7Low58.1Low2 Ų285.8 Ų85.81%0.01445%0.452CS..  trans-80.8119.6168.7-178.50000109E229 C230 G231 E232 F234 L240 H247C227-E229 VanDerWaalsContact C-N 3.25Å; C227-E229 PolarHBondContact O-N 2.94Å; C227-C230 VanDerWaalsContact CB-SG 3.53Å; C227-C230 PolarHBondContact SG-SG 2.81Å; C227-G231 WeakPolarHBondContact O-CA 3.27Å; C227-G231 PolarHBondContact O-N 3.26Å; C227-E232 PolarHBondContact N-O 3.44Å; C227-F234 HydrophobicContact CB-CE2 4.4Å; C227-L240 HydrophobicContact CB-CD1 3.61Å; C227-H247 VanDerWaalsContact SG-CD2 3.56Å; C227-H247 PolarHBondContact SG-NE2 3.09Å
228E62.2Low58.6Low187 Ų18787.4 Ų87.487%0.87447%0.466SS*.THydrogen-bonded Turntrans-69.7-22.5-178.7-65.6178.5164.900113
229E57.8Low59.3Low140 Ų14087.1 Ų87.165%0.65447%0.465SS*.THydrogen-bonded Turntrans-84.4-27.6-178.5-67.9175.4147.200113.8C227 H247C227-E229 VanDerWaalsContact C-N 3.25Å; C227-E229 PolarHBondContact O-N 2.94Å; E229-H247 WeakPolarHBondContact OE2-CB 3.38Å; E229-H247 IonicContact OE2-CD2 3.07Å; E229-H247 PolarHBondContact OE2-CD2 3.32Å; E229-H247 IonicContact OE2-CG 3.37Å
230C63.8Low60.2Low57 Ų5781.1 Ų81.139%0.38544%0.438SS..THydrogen-bonded Turntrans-131.8-1.9-177.5710000114.8C227 E232 H243 H247C227-C230 VanDerWaalsContact CB-SG 3.53Å; C227-C230 PolarHBondContact SG-SG 2.81Å; C230-E232 PolarHBondContact O-N 2.95Å; C230-H243 PolarHBondContact SG-NE2 3.27Å; C230-H247 PolarHBondContact SG-NE2 3.35Å
231G61.3Low60.8Low54 Ų5482.1 Ų82.156%0.55744%0.437SS*.  trans73.4-1.8-179.600000115.4C227 A233C227-G231 WeakPolarHBondContact O-CA 3.27Å; C227-G231 PolarHBondContact O-N 3.26Å; G231-A233 PolarHBondContact O-N 3.11Å
232E59.3Low61.3Low106 Ų10682.5 Ų82.550%0.49543%0.428SS..  trans-69.9131.5-177.9-71.6-147.4143.100112.2K226 C227 C230 F234 H243K226-E232 CarbonylContact C-O 3.56Å; K226-E232 WeakPolarHBondContact CA-O 3.31Å; C227-E232 PolarHBondContact N-O 3.44Å; C230-E232 PolarHBondContact O-N 2.95Å; E232-F234 HydrophobicContact CB-CE2 3.82Å; E232-F234 HydrophobicContact CB-CZ 3.83Å; E232-F234 VanDerWaalsContact O-CE2 3.32Å; E232-F234 WeakPolarHBondContact O-CE2 3.44Å; E232-H243 IonicContact OE2-CE1 3Å; E232-H243 PolarHBondContact OE2-CE1 2.86Å; E232-H243 IonicContact OE2-ND1 3.13Å
233A60.8Low62Low24 Ų2477.9 Ų77.920%0.19841%0.407CS..EExtended strand (participates in β ladder)trans-106132.3-175.200000111.4K223 Y225 K226 G231K223-A233 HydrophobicContact CB-CB 3.43Å; K223-A233 VanDerWaalsContact CB-CB 3.43Å; K223-A233 HydrophobicContact CD-CB 3.98Å; K223-A233 VanDerWaalsContact CD-O 3.31Å; K223-A233 WeakPolarHBondContact CD-O 3.37Å; K223-A233 HydrophobicContact CG-CB 4.31Å; Y225-A233 CarbonylContact O-C 3.38Å; Y225-A233 WeakPolarHBondContact O-CA 3.2Å; K226-A233 HydrophobicContact CG-CB 3.76Å; G231-A233 PolarHBondContact O-N 3.11Å
234F71.6Confident62.4Low37 Ų3776.2 Ų76.216%0.16240%0.399CS..EExtended strand (participates in β ladder)trans-117.8149.5-176.1-58.7-85.2000111K223 L224 Y225 C227 E232 N239 L240 H243K223-F234 CarbonylContact C-O 3.21Å; L224-F234 PolarHBondContact N-O 3.26Å; Y225-F234 PolarHBondContact N-O 3.41Å; Y225-F234 WeakPolarHBondContact O-CD2 3.4Å; Y225-F234 PolarHBondContact O-N 3.47Å; C227-F234 HydrophobicContact CB-CE2 4.4Å; E232-F234 HydrophobicContact CB-CE2 3.82Å; E232-F234 HydrophobicContact CB-CZ 3.83Å; E232-F234 VanDerWaalsContact O-CE2 3.32Å; E232-F234 WeakPolarHBondContact O-CE2 3.44Å; F234-N239 HydrophobicContact CB-CB 4.12Å; F234-N239 HydrophobicContact CD1-CB 3.94Å; F234-N239 HydrophobicContact CG-CB 4.27Å; F234-L240 HydrophobicContact CB-CB 4.27Å; F234-L240 HydrophobicContact CD2-CB 3.85Å; F234-L240 HydrophobicContact CD2-CD1 3.71Å; F234-L240 HydrophobicContact CD2-CG 4.38Å; F234-L240 HydrophobicContact CE2-CD1 3.92Å; F234-L240 HydrophobicContact CG-CB 4.25Å; F234-H243 HydrophobicContact CE1-CB 4.12Å; F234-H243 HydrophobicContact CE2-CB 3.86Å; F234-H243 AromaticContact CE2-CD2 3.84Å; F234-H243 AromaticContact CE2-CG 3.65Å; F234-H243 HydrophobicContact CZ-CB 3.58Å; F234-H243 AromaticContact CZ-CD2 3.9Å; F234-H243 AromaticContact CZ-CE1 3.82Å; F234-H243 AromaticContact CZ-CG 3.31Å; F234-H243 AromaticContact CZ-ND1 3.3Å; F234-H243 VanDerWaalsContact CZ-ND1 3.3Å; F234-H243 WeakPolarHBondContact CZ-ND1 3.42Å
235N55.9Low62.7Low60 Ų6073.4 Ų73.432%0.32139%0.385SS..SBendtrans-84.1-11.6178.359.83.6000113.6N239N235-N239 PolarHBondContact OD1-ND2 3.2Å; N235-N239 VanDerWaalsContact OD1-ND2 3.11Å
236R63.7Low62.7Low116 Ų11672.7 Ų72.744%0.43839%0.386SS..SBendtrans-137.3139.1178.5-65.9-178.6177.3-178.5-3.2109.7Y225 S238 N239 L240Y225-R236 VanDerWaalsContact CD2-C 3.45Å; R236-S238 VanDerWaalsContact C-N 3.26Å; R236-S238 PolarHBondContact O-N 3.06Å; R236-N239 HydrophobicContact CB-CB 4.42Å; R236-N239 WeakPolarHBondContact O-CB 3.42Å; R236-N239 PolarHBondContact O-N 3.36Å; R236-N239 VanDerWaalsContact O-N 3.09Å; R236-L240 PolarHBondContact O-N 3.36Å
237S58.2Low62.7Low62 Ų6269.3 Ų69.343%0.43437%0.373SS..Hα-helixtrans-59.3-37.6175.957.90000111.8Y225 N239 L240 T241Y225-S237 VanDerWaalsContact CD2-N 3.34Å; S237-N239 VanDerWaalsContact C-N 3.28Å; S237-N239 PolarHBondContact O-N 3.25Å; S237-L240 PolarHBondContact O-N 3.25Å; S237-T241 PolarHBondContact O-N 3.16Å; S237-T241 PolarHBondContact O-OG1 3.3Å
238S63.1Low62.4Low65 Ų6573.2 Ų73.246%0.45540%0.397SS..Hα-helixtrans-59.4-35.817555.60000113.3R236 T241 T242R236-S238 VanDerWaalsContact C-N 3.26Å; R236-S238 PolarHBondContact O-N 3.06Å; S238-T241 PolarHBondContact O-N 3.06Å; S238-T242 WeakPolarHBondContact O-CG2 3.32Å; S238-T242 PolarHBondContact O-N 3.19Å; S238-T242 PolarHBondContact O-OG1 3.49Å
239N64.8Low62.2Low61 Ų6166.4 Ų66.433%0.32638%0.377SS..Hα-helixtrans-70.6-41.7176.6-68.2-14.7000111F234 N235 R236 S237 T242 H243F234-N239 HydrophobicContact CB-CB 4.12Å; F234-N239 HydrophobicContact CD1-CB 3.94Å; F234-N239 HydrophobicContact CG-CB 4.27Å; N235-N239 PolarHBondContact OD1-ND2 3.2Å; N235-N239 VanDerWaalsContact OD1-ND2 3.11Å; R236-N239 HydrophobicContact CB-CB 4.42Å; R236-N239 WeakPolarHBondContact O-CB 3.42Å; R236-N239 PolarHBondContact O-N 3.36Å; R236-N239 VanDerWaalsContact O-N 3.09Å; S237-N239 VanDerWaalsContact C-N 3.28Å; S237-N239 PolarHBondContact O-N 3.25Å; N239-T242 WeakPolarHBondContact CA-OG1 3.44Å; N239-T242 PolarHBondContact O-N 2.8Å; N239-T242 PolarHBondContact O-OG1 2.77Å; N239-H243 WeakPolarHBondContact O-CB 3.48Å; N239-H243 PolarHBondContact O-N 3.19Å
240L67.2Low62.3Low18 Ų1865.5 Ų65.59%0.09437%0.373CS..Hα-helixtrans-62-43.1172.2175.863.3000111.2C227 F234 R236 S237 T242 H243 K244C227-L240 HydrophobicContact CB-CD1 3.61Å; F234-L240 HydrophobicContact CB-CB 4.27Å; F234-L240 HydrophobicContact CD2-CB 3.85Å; F234-L240 HydrophobicContact CD2-CD1 3.71Å; F234-L240 HydrophobicContact CD2-CG 4.38Å; F234-L240 HydrophobicContact CE2-CD1 3.92Å; F234-L240 HydrophobicContact CG-CB 4.25Å; R236-L240 PolarHBondContact O-N 3.36Å; S237-L240 PolarHBondContact O-N 3.25Å; L240-T242 PolarHBondContact O-N 3.06Å; L240-H243 WeakPolarHBondContact O-CB 3.44Å; L240-H243 PolarHBondContact O-N 3.06Å; L240-H243 VanDerWaalsContact O-N 3.14Å; L240-K244 HydrophobicContact CD1-CG 4.3Å; L240-K244 WeakPolarHBondContact O-CG 3.23Å; L240-K244 PolarHBondContact O-N 2.95Å
241T63.5Low62.6Low89 Ų8968.2 Ų68.255%0.54638%0.378SS..Hα-helixtrans-60.6-44.4175.9-52.70000111.2S237 S238 H243 K244 I245S237-T241 PolarHBondContact O-N 3.16Å; S237-T241 PolarHBondContact O-OG1 3.3Å; S238-T241 PolarHBondContact O-N 3.06Å; T241-H243 VanDerWaalsContact C-N 3.3Å; T241-H243 PolarHBondContact O-N 3.19Å; T241-K244 PolarHBondContact O-N 3.47Å; T241-I245 WeakPolarHBondContact O-CG1 3.43Å
242T61.7Low63.1Low64 Ų6469.1 Ų69.139%0.39337%0.374SS..Hα-helixtrans-66.8-29.9174.756.40000113.6S238 N239 L240S238-T242 WeakPolarHBondContact O-CG2 3.32Å; S238-T242 PolarHBondContact O-N 3.19Å; S238-T242 PolarHBondContact O-OG1 3.49Å; N239-T242 WeakPolarHBondContact CA-OG1 3.44Å; N239-T242 PolarHBondContact O-N 2.8Å; N239-T242 PolarHBondContact O-OG1 2.77Å; L240-T242 PolarHBondContact O-N 3.06Å
243H67.4Low63.6Low21 Ų2168.8 Ų68.810%0.09737%0.369CS..Hα-helixtrans-73.2-38.7176.1177.392.3000111.7C230 E232 F234 N239 L240 T241 I245 I246 H247C230-H243 PolarHBondContact SG-NE2 3.27Å; E232-H243 IonicContact OE2-CE1 3Å; E232-H243 PolarHBondContact OE2-CE1 2.86Å; E232-H243 IonicContact OE2-ND1 3.13Å; F234-H243 HydrophobicContact CE1-CB 4.12Å; F234-H243 HydrophobicContact CE2-CB 3.86Å; F234-H243 AromaticContact CE2-CD2 3.84Å; F234-H243 AromaticContact CE2-CG 3.65Å; F234-H243 HydrophobicContact CZ-CB 3.58Å; F234-H243 AromaticContact CZ-CD2 3.9Å; F234-H243 AromaticContact CZ-CE1 3.82Å; F234-H243 AromaticContact CZ-CG 3.31Å; F234-H243 AromaticContact CZ-ND1 3.3Å; F234-H243 VanDerWaalsContact CZ-ND1 3.3Å; F234-H243 WeakPolarHBondContact CZ-ND1 3.42Å; N239-H243 WeakPolarHBondContact O-CB 3.48Å; N239-H243 PolarHBondContact O-N 3.19Å; L240-H243 WeakPolarHBondContact O-CB 3.44Å; L240-H243 PolarHBondContact O-N 3.06Å; L240-H243 VanDerWaalsContact O-N 3.14Å; T241-H243 VanDerWaalsContact C-N 3.3Å; T241-H243 PolarHBondContact O-N 3.19Å; H243-I245 PolarHBondContact O-N 3.34Å; H243-I246 WeakPolarHBondContact O-CB 3.27Å; H243-I246 WeakPolarHBondContact O-CG1 3.44Å; H243-I246 PolarHBondContact O-N 3.44Å; H243-H247 AromaticContact CD2-NE2 3.68Å; H243-H247 AromaticContact NE2-CD2 4Å; H243-H247 AromaticContact NE2-CE1 3.93Å; H243-H247 AromaticContact NE2-NE2 3.17Å; H243-H247 PolarHBondContact NE2-NE2 2.78Å; H243-H247 VanDerWaalsContact NE2-NE2 3.17Å
244K64.4Low63.8Low98 Ų9874.2 Ų74.243%0.42639%0.388SS..Hα-helixtrans-58.8-28175.8-75.2-174.7176.4-166.40112.9L240 T241 I246 H247 T248L240-K244 HydrophobicContact CD1-CG 4.3Å; L240-K244 WeakPolarHBondContact O-CG 3.23Å; L240-K244 PolarHBondContact O-N 2.95Å; T241-K244 PolarHBondContact O-N 3.47Å; K244-I246 PolarHBondContact O-N 2.98Å; K244-H247 PolarHBondContact O-N 2.84Å; K244-H247 VanDerWaalsContact O-N 3.09Å; K244-T248 PolarHBondContact O-N 3.17Å; K244-T248 VanDerWaalsContact O-N 3.12Å
245I65.3Low63.9Low39 Ų3972.5 Ų72.520%0.238%0.381CS..Hα-helixtrans-61.9-24.6173.5-55173.2000111.8T241 H243 T248 G249 E250 I263T241-I245 WeakPolarHBondContact O-CG1 3.43Å; H243-I245 PolarHBondContact O-N 3.34Å; I245-T248 WeakPolarHBondContact CA-OG1 3.36Å; I245-T248 PolarHBondContact O-OG1 3.26Å; I245-G249 PolarHBondContact O-N 2.98Å; I245-G249 VanDerWaalsContact O-N 3.12Å; I245-E250 HydrophobicContact CG2-CB 4.18Å; I245-E250 VanDerWaalsContact CG2-O 3.24Å; I245-E250 WeakPolarHBondContact CG2-O 3.46Å; I245-I263 HydrophobicContact CB-CG2 4.38Å; I245-I263 HydrophobicContact CG2-CG2 3.78Å
246I60.6Low64.6Low80 Ų8077.9 Ų77.941%0.4140%0.404SS..Hα-helixtrans-69.9-37.3176.3-55.9173.1000110.8H243 K244 W264H243-I246 WeakPolarHBondContact O-CB 3.27Å; H243-I246 WeakPolarHBondContact O-CG1 3.44Å; H243-I246 PolarHBondContact O-N 3.44Å; K244-I246 PolarHBondContact O-N 2.98Å; I246-W264 HydrophobicContact CD1-CZ2 4.48Å
247H56.8Low64.6Low75 Ų7578.8 Ų78.835%0.34741%0.413SS..Hα-helixtrans-77.9-39.4178.9-61.8-49.4000112.4C227 E229 C230 H243 K244 G249C227-H247 VanDerWaalsContact SG-CD2 3.56Å; C227-H247 PolarHBondContact SG-NE2 3.09Å; E229-H247 WeakPolarHBondContact OE2-CB 3.38Å; E229-H247 IonicContact OE2-CD2 3.07Å; E229-H247 PolarHBondContact OE2-CD2 3.32Å; E229-H247 IonicContact OE2-CG 3.37Å; C230-H247 PolarHBondContact SG-NE2 3.35Å; H243-H247 AromaticContact CD2-NE2 3.68Å; H243-H247 AromaticContact NE2-CD2 4Å; H243-H247 AromaticContact NE2-CE1 3.93Å; H243-H247 AromaticContact NE2-NE2 3.17Å; H243-H247 PolarHBondContact NE2-NE2 2.78Å; H243-H247 VanDerWaalsContact NE2-NE2 3.17Å; K244-H247 PolarHBondContact O-N 2.84Å; K244-H247 VanDerWaalsContact O-N 3.09Å; H247-G249 PolarHBondContact O-N 3.29Å
248T60.2Low65.1Low84 Ų8477.7 Ų77.752%0.51541%0.405SS..Hα-helixtrans-72.7-16.9176.663.30000113K244 I245 E250K244-T248 PolarHBondContact O-N 3.17Å; K244-T248 VanDerWaalsContact O-N 3.12Å; I245-T248 WeakPolarHBondContact CA-OG1 3.36Å; I245-T248 PolarHBondContact O-OG1 3.26Å; T248-E250 PolarHBondContact O-N 2.77Å; T248-E250 VanDerWaalsContact O-N 3.12Å
249G58.2Low65.3Low44 Ų4477.5 Ų77.545%0.45441%0.413SS..  trans67.48.6-179.800000113.9I245 H247 K251I245-G249 PolarHBondContact O-N 2.98Å; I245-G249 VanDerWaalsContact O-N 3.12Å; H247-G249 PolarHBondContact O-N 3.29Å; G249-K251 PolarHBondContact O-N 2.69Å
250E61.5Low65.2Low122 Ų12280.4 Ų80.457%0.5742%0.423SS*.  trans-62.6134.1178-71.2-175.9173.500109.9I245 T248 P252I245-E250 HydrophobicContact CG2-CB 4.18Å; I245-E250 VanDerWaalsContact CG2-O 3.24Å; I245-E250 WeakPolarHBondContact CG2-O 3.46Å; T248-E250 PolarHBondContact O-N 2.77Å; T248-E250 VanDerWaalsContact O-N 3.12Å; E250-P252 WeakPolarHBondContact O-CD 3.27Å
251K69.1Low65.4Low113 Ų11381 Ų8149%0.49143%0.43SS..  trans-122.179.6-179.7-72166.5177.9178.10108.9G249 Y253 A261 F262 I263G249-K251 PolarHBondContact O-N 2.69Å; K251-Y253 PolarHBondContact O-N 3.49Å; K251-A261 HydrophobicContact CB-CB 3.39Å; K251-A261 HydrophobicContact CD-CB 4.01Å; K251-A261 WeakPolarHBondContact CD-O 3.38Å; K251-A261 HydrophobicContact CG-CB 4.3Å; K251-F262 CarbonylContact C-O 3.58Å; K251-F262 VanDerWaalsContact C-O 3.3Å; K251-F262 WeakPolarHBondContact CA-O 3.48Å; K251-I263 HydrophobicContact CG-CG1 3.91Å
252P71.9Confident65.8Low73 Ų7378.8 Ų78.847%0.47441%0.413SS..  trans-64.6-24.9-171.1-21.834.1000113.2E250 K254E250-P252 WeakPolarHBondContact O-CD 3.27Å; P252-K254 PolarHBondContact O-N 2.86Å
253Y68.8Low66Low99 Ų9977.8 Ų77.839%0.38841%0.405SS..EExtended strand (participates in β ladder)trans-100.494.7-171.3-58.2-78.7000110.8K251 A261 F262 I263 W264K251-Y253 PolarHBondContact O-N 3.49Å; Y253-A261 CarbonylContact O-C 3.55Å; Y253-A261 WeakPolarHBondContact O-CA 3.45Å; Y253-F262 WeakPolarHBondContact CB-O 3.29Å; Y253-F262 PolarHBondContact N-O 3.09Å; Y253-F262 PolarHBondContact O-N 3.31Å; Y253-I263 VanDerWaalsContact CD2-O 3.32Å; Y253-I263 WeakPolarHBondContact CD2-O 3.48Å; Y253-I263 WeakPolarHBondContact CE2-O 3.47Å; Y253-W264 VanDerWaalsContact CD2-C 3.44Å
254K65.4Low66.2Low138 Ų13882.7 Ų82.760%0.642%0.423SS*.EExtended strand (participates in β ladder)trans-89.2141.7178.4-65.1-178.8-177.8175.80112.1P252 A261 L268P252-K254 PolarHBondContact O-N 2.86Å; K254-A261 HydrophobicContact CG-CB 3.84Å; K254-L268 WeakPolarHBondContact O-CD2 3.35Å
255C74.5Confident66.2Low2 Ų280.9 Ų80.91%0.01442%0.423CS..  trans-88.5110.6171.3-176.70000109.6E257 C258 G259 K260 F262 L268 H275C255-E257 PolarHBondContact O-N 3.27Å; C255-C258 PolarHBondContact O-N 3.42Å; C255-C258 VanDerWaalsContact SG-SG 3.61Å; C255-G259 VanDerWaalsContact O-CA 3.3Å; C255-G259 WeakPolarHBondContact O-CA 3.41Å; C255-G259 PolarHBondContact O-N 2.8Å; C255-K260 WeakPolarHBondContact CB-O 3.32Å; C255-K260 PolarHBondContact N-O 3.08Å; C255-F262 HydrophobicContact CB-CE2 4.3Å; C255-L268 HydrophobicContact CB-CD1 3.52Å; C255-H275 VanDerWaalsContact SG-CD2 3.59Å; C255-H275 PolarHBondContact SG-NE2 3.04Å
256E69.8Low66.4Low172 Ų17282.6 Ų82.680%0.80444%0.438SS*.THydrogen-bonded Turntrans-58.6-27.5178.6-59.9-56.3143.100113.7
257E65.5Low66.7Low136 Ų13680.8 Ų80.864%0.63643%0.431SS*.THydrogen-bonded Turntrans-83.3-20.1-177.1-68.1175.4157.800114.1C255 H275C255-E257 PolarHBondContact O-N 3.27Å; E257-H275 WeakPolarHBondContact OE2-CB 3.23Å; E257-H275 IonicContact OE2-CD2 2.95Å; E257-H275 PolarHBondContact OE2-CD2 3.33Å; E257-H275 IonicContact OE2-CG 3.66Å
258C67.2Low67.4Low38 Ų3878 Ų7826%0.25742%0.418SS..THydrogen-bonded Turntrans-143.15.4-176.375.90000115.2C255 K260 H271 H275C255-C258 PolarHBondContact O-N 3.42Å; C255-C258 VanDerWaalsContact SG-SG 3.61Å; C258-K260 PolarHBondContact O-N 2.76Å; C258-K260 VanDerWaalsContact O-N 3.08Å; C258-H271 PolarHBondContact SG-NE2 3.17Å; C258-H275 PolarHBondContact SG-NE2 3.37Å; C258-H275 VanDerWaalsContact SG-NE2 3.36Å
259G67.1Low67.8Low62 Ų6278 Ų7864%0.63942%0.419SS*.  trans68.4-0.4179.900000115.5C255 A261C255-G259 VanDerWaalsContact O-CA 3.3Å; C255-G259 WeakPolarHBondContact O-CA 3.41Å; C255-G259 PolarHBondContact O-N 2.8Å; G259-A261 PolarHBondContact O-N 3.04Å
260K63.8Low68.1Low122 Ų12280 Ų8053%0.5342%0.416SS..  trans-72.1128.6-178.1-71.5-176.7179.3-178.60111.3C255 C258 F262C255-K260 WeakPolarHBondContact CB-O 3.32Å; C255-K260 PolarHBondContact N-O 3.08Å; C258-K260 PolarHBondContact O-N 2.76Å; C258-K260 VanDerWaalsContact O-N 3.08Å; K260-F262 HydrophobicContact CB-CE2 3.79Å; K260-F262 HydrophobicContact CB-CZ 3.94Å; K260-F262 WeakPolarHBondContact O-CD2 3.35Å; K260-F262 VanDerWaalsContact O-CE2 3.29Å; K260-F262 WeakPolarHBondContact O-CE2 3.44Å
261A70Confident68.7Low30 Ų3075 Ų7525%0.24839%0.393CS..EExtended strand (participates in β ladder)trans-100.2140.2-179.600000111.2K251 Y253 K254 G259K251-A261 HydrophobicContact CB-CB 3.39Å; K251-A261 HydrophobicContact CD-CB 4.01Å; K251-A261 WeakPolarHBondContact CD-O 3.38Å; K251-A261 HydrophobicContact CG-CB 4.3Å; Y253-A261 CarbonylContact O-C 3.55Å; Y253-A261 WeakPolarHBondContact O-CA 3.45Å; K254-A261 HydrophobicContact CG-CB 3.84Å; G259-A261 PolarHBondContact O-N 3.04Å
262F73.6Confident68.6Low42 Ų4274.4 Ų74.418%0.18439%0.39CS..EExtended strand (participates in β ladder)trans-126.5149.6-177.1-60.3-89.3000110.5K251 Y253 C255 K260 L268 H271K251-F262 CarbonylContact C-O 3.58Å; K251-F262 VanDerWaalsContact C-O 3.3Å; K251-F262 WeakPolarHBondContact CA-O 3.48Å; Y253-F262 WeakPolarHBondContact CB-O 3.29Å; Y253-F262 PolarHBondContact N-O 3.09Å; Y253-F262 PolarHBondContact O-N 3.31Å; C255-F262 HydrophobicContact CB-CE2 4.3Å; K260-F262 HydrophobicContact CB-CE2 3.79Å; K260-F262 HydrophobicContact CB-CZ 3.94Å; K260-F262 WeakPolarHBondContact O-CD2 3.35Å; K260-F262 VanDerWaalsContact O-CE2 3.29Å; K260-F262 WeakPolarHBondContact O-CE2 3.44Å; F262-L268 HydrophobicContact CB-CB 4.23Å; F262-L268 HydrophobicContact CD2-CB 3.9Å; F262-L268 HydrophobicContact CD2-CD1 3.68Å; F262-L268 HydrophobicContact CD2-CG 4.38Å; F262-L268 HydrophobicContact CE2-CD1 3.88Å; F262-L268 HydrophobicContact CG-CB 4.21Å; F262-H271 HydrophobicContact CE1-CB 3.95Å; F262-H271 HydrophobicContact CE2-CB 3.85Å; F262-H271 AromaticContact CE2-CD2 3.54Å; F262-H271 AromaticContact CE2-CG 3.59Å; F262-H271 HydrophobicContact CZ-CB 3.46Å; F262-H271 VanDerWaalsContact CZ-CB 3.46Å; F262-H271 AromaticContact CZ-CD2 3.56Å; F262-H271 AromaticContact CZ-CE1 4Å; F262-H271 AromaticContact CZ-CG 3.17Å; F262-H271 AromaticContact CZ-ND1 3.48Å; F262-H271 WeakPolarHBondContact CZ-ND1 3.34Å
263I65.4Low68.5Low43 Ų4376.1 Ų76.122%0.22139%0.39CS..SBendtrans-74.5-31.1178.4-60175.9000110.5I245 K251 Y253I245-I263 HydrophobicContact CB-CG2 4.38Å; I245-I263 HydrophobicContact CG2-CG2 3.78Å; K251-I263 HydrophobicContact CG-CG1 3.91Å; Y253-I263 VanDerWaalsContact CD2-O 3.32Å; Y253-I263 WeakPolarHBondContact CD2-O 3.48Å; Y253-I263 WeakPolarHBondContact CE2-O 3.47Å
264W71.6Confident68.2Low124 Ų12474.9 Ų74.947%0.4739%0.389SS..SBendtrans-124.2144.6-177.6-57.4-46000112.7I246 Y253 S266 T267 L268I246-W264 HydrophobicContact CD1-CZ2 4.48Å; Y253-W264 VanDerWaalsContact CD2-C 3.44Å; W264-S266 VanDerWaalsContact C-N 3.28Å; W264-S266 PolarHBondContact O-N 3.35Å; W264-T267 HydrophobicContact CB-CG2 4.47Å; W264-T267 HydrophobicContact CE3-CG2 3.94Å; W264-T267 PolarHBondContact O-N 3.08Å; W264-T267 PolarHBondContact O-OG1 3.28Å; W264-L268 PolarHBondContact O-N 3.44Å
265S64.9Low68.1Low61 Ų6171.1 Ų71.143%0.42737%0.374SS..Hα-helixtrans-64.2-32175.860.30000112.8L268 T269S265-L268 PolarHBondContact O-N 2.84Å; S265-T269 WeakPolarHBondContact O-CB 3.49Å; S265-T269 PolarHBondContact O-N 3.32Å; S265-T269 PolarHBondContact O-OG1 3.48Å
266S68.1Low67.4Low75 Ų7574.8 Ų74.852%0.52440%0.396SS..Hα-helixtrans-62.8-41.4175.954.40000112.1W264 T269 E270W264-S266 VanDerWaalsContact C-N 3.28Å; W264-S266 PolarHBondContact O-N 3.35Å; S266-T269 PolarHBondContact O-N 2.82Å; S266-E270 PolarHBondContact O-N 2.79Å
267T67Low66.7Low42 Ų4277.6 Ų77.626%0.25840%0.4SS..Hα-helixtrans-74.9-34178.3570000112.2W264 T269 E270 H271W264-T267 HydrophobicContact CB-CG2 4.47Å; W264-T267 HydrophobicContact CE3-CG2 3.94Å; W264-T267 PolarHBondContact O-N 3.08Å; W264-T267 PolarHBondContact O-OG1 3.28Å; T267-T269 VanDerWaalsContact C-N 3.35Å; T267-E270 PolarHBondContact O-N 3.21Å; T267-H271 VanDerWaalsContact O-CB 3.27Å; T267-H271 WeakPolarHBondContact O-CB 3.31Å; T267-H271 PolarHBondContact O-N 2.88Å
268L71.5Confident66.4Low16 Ų1678.7 Ų78.78%0.08440%0.402CS..Hα-helixtrans-62.4-42.2167.7174.162.4000111.4K254 C255 F262 W264 S265 E270 H271 K272K254-L268 WeakPolarHBondContact O-CD2 3.35Å; C255-L268 HydrophobicContact CB-CD1 3.52Å; F262-L268 HydrophobicContact CB-CB 4.23Å; F262-L268 HydrophobicContact CD2-CB 3.9Å; F262-L268 HydrophobicContact CD2-CD1 3.68Å; F262-L268 HydrophobicContact CD2-CG 4.38Å; F262-L268 HydrophobicContact CE2-CD1 3.88Å; F262-L268 HydrophobicContact CG-CB 4.21Å; W264-L268 PolarHBondContact O-N 3.44Å; S265-L268 PolarHBondContact O-N 2.84Å; L268-E270 VanDerWaalsContact C-N 3.34Å; L268-E270 PolarHBondContact O-N 2.79Å; L268-H271 WeakPolarHBondContact O-CB 3.3Å; L268-H271 PolarHBondContact O-N 3.46Å; L268-K272 HydrophobicContact CD1-CG 4.34Å; L268-K272 WeakPolarHBondContact O-CG 3.33Å; L268-K272 PolarHBondContact O-N 3.39Å
269T68.2Low66.4Low85 Ų8582.2 Ų82.252%0.52141%0.413SS..Hα-helixtrans-64.8-39.2178.9-56.80000111.5S265 S266 T267S265-T269 WeakPolarHBondContact O-CB 3.49Å; S265-T269 PolarHBondContact O-N 3.32Å; S265-T269 PolarHBondContact O-OG1 3.48Å; S266-T269 PolarHBondContact O-N 2.82Å; T267-T269 VanDerWaalsContact C-N 3.35Å
270E65.6Low66.7Low85 Ų8583.5 Ų83.540%0.39741%0.41SS..Hα-helixtrans-66.8-42.4171.6-176.4170.7-156.500112S266 T267 L268 K272 K273 W292S266-E270 PolarHBondContact O-N 2.79Å; T267-E270 PolarHBondContact O-N 3.21Å; L268-E270 VanDerWaalsContact C-N 3.34Å; L268-E270 PolarHBondContact O-N 2.79Å; E270-K272 VanDerWaalsContact C-N 3.34Å; E270-K272 PolarHBondContact O-N 2.85Å; E270-K273 VanDerWaalsContact O-CB 3.27Å; E270-K273 WeakPolarHBondContact O-CB 3.38Å; E270-K273 PolarHBondContact O-N 3.42Å; E270-K273 VanDerWaalsContact O-N 3.11Å; E270-W292 HydrophobicContact CG-CZ2 3.92Å; E270-W292 VanDerWaalsContact OE1-CE2 3.29Å; E270-W292 WeakPolarHBondContact OE1-CZ2 3.46Å; E270-W292 PolarHBondContact OE1-NE1 2.95Å
271H72.8Confident67.1Low18 Ų1882.4 Ų82.48%0.08340%0.403CS..Hα-helixtrans-60.3-40.4176.4177.272.7000112.7C258 F262 T267 L268 K273 I274 H275C258-H271 PolarHBondContact SG-NE2 3.17Å; F262-H271 HydrophobicContact CE1-CB 3.95Å; F262-H271 HydrophobicContact CE2-CB 3.85Å; F262-H271 AromaticContact CE2-CD2 3.54Å; F262-H271 AromaticContact CE2-CG 3.59Å; F262-H271 HydrophobicContact CZ-CB 3.46Å; F262-H271 VanDerWaalsContact CZ-CB 3.46Å; F262-H271 AromaticContact CZ-CD2 3.56Å; F262-H271 AromaticContact CZ-CE1 4Å; F262-H271 AromaticContact CZ-CG 3.17Å; F262-H271 AromaticContact CZ-ND1 3.48Å; F262-H271 WeakPolarHBondContact CZ-ND1 3.34Å; T267-H271 VanDerWaalsContact O-CB 3.27Å; T267-H271 WeakPolarHBondContact O-CB 3.31Å; T267-H271 PolarHBondContact O-N 2.88Å; L268-H271 WeakPolarHBondContact O-CB 3.3Å; L268-H271 PolarHBondContact O-N 3.46Å; H271-K273 PolarHBondContact O-N 3.14Å; H271-K273 VanDerWaalsContact O-N 3.12Å; H271-I274 WeakPolarHBondContact O-CB 3.44Å; H271-I274 VanDerWaalsContact O-CG1 3.31Å; H271-I274 WeakPolarHBondContact O-CG1 3.49Å; H271-I274 PolarHBondContact O-N 2.89Å; H271-H275 AromaticContact CD2-NE2 3.78Å; H271-H275 AromaticContact NE2-CE1 3.82Å; H271-H275 AromaticContact NE2-NE2 3.16Å; H271-H275 PolarHBondContact NE2-NE2 2.94Å; H271-H275 VanDerWaalsContact NE2-NE2 3.16Å
272K67.6Low67.1Low99 Ų9987.4 Ų87.443%0.4342%0.42SS..Hα-helixtrans-57.5-26.1176.2-76.7-179.4177.6-173.10112.7L268 E270 I274 H275 T276L268-K272 HydrophobicContact CD1-CG 4.34Å; L268-K272 WeakPolarHBondContact O-CG 3.33Å; L268-K272 PolarHBondContact O-N 3.39Å; E270-K272 VanDerWaalsContact C-N 3.34Å; E270-K272 PolarHBondContact O-N 2.85Å; K272-I274 PolarHBondContact O-N 2.93Å; K272-H275 PolarHBondContact O-N 3.17Å; K272-H275 VanDerWaalsContact O-N 3.13Å; K272-T276 WeakPolarHBondContact O-CG2 3.3Å; K272-T276 PolarHBondContact O-N 3.15Å
273K69.4Low67.4Low109 Ų10985.5 Ų85.547%0.47441%0.411SS..Hα-helixtrans-62.8-24.8174.2-60.2178-179.1174.20112.6E270 H271 H275 T276 I291E270-K273 VanDerWaalsContact O-CB 3.27Å; E270-K273 WeakPolarHBondContact O-CB 3.38Å; E270-K273 PolarHBondContact O-N 3.42Å; E270-K273 VanDerWaalsContact O-N 3.11Å; H271-K273 PolarHBondContact O-N 3.14Å; H271-K273 VanDerWaalsContact O-N 3.12Å; K273-H275 VanDerWaalsContact C-N 3.35Å; K273-T276 PolarHBondContact O-OG1 3.47Å; K273-I291 HydrophobicContact CB-CG2 4.2Å
274I63.1Low67.8Low73 Ų7391.4 Ų91.437%0.37444%0.438SS..Hα-helixtrans-67-37.6176.3-55.7176.2000111.1H271 K272 I291H271-I274 WeakPolarHBondContact O-CB 3.44Å; H271-I274 VanDerWaalsContact O-CG1 3.31Å; H271-I274 WeakPolarHBondContact O-CG1 3.49Å; H271-I274 PolarHBondContact O-N 2.89Å; K272-I274 PolarHBondContact O-N 2.93Å; I274-I291 HydrophobicContact CB-CD1 4.34Å; I274-I291 HydrophobicContact CG1-CD1 4.1Å; I274-I291 HydrophobicContact CG2-CD1 4.3Å
275H62.8Low67.7Low59 Ų5991.5 Ų91.527%0.27344%0.443SS..Hα-helixtrans-78.4-31.6-178.5-60.5-45.8000113.1C255 E257 C258 H271 K272 K273 R277C255-H275 VanDerWaalsContact SG-CD2 3.59Å; C255-H275 PolarHBondContact SG-NE2 3.04Å; E257-H275 WeakPolarHBondContact OE2-CB 3.23Å; E257-H275 IonicContact OE2-CD2 2.95Å; E257-H275 PolarHBondContact OE2-CD2 3.33Å; E257-H275 IonicContact OE2-CG 3.66Å; C258-H275 PolarHBondContact SG-NE2 3.37Å; C258-H275 VanDerWaalsContact SG-NE2 3.36Å; H271-H275 AromaticContact CD2-NE2 3.78Å; H271-H275 AromaticContact NE2-CE1 3.82Å; H271-H275 AromaticContact NE2-NE2 3.16Å; H271-H275 PolarHBondContact NE2-NE2 2.94Å; H271-H275 VanDerWaalsContact NE2-NE2 3.16Å; K272-H275 PolarHBondContact O-N 3.17Å; K272-H275 VanDerWaalsContact O-N 3.13Å; K273-H275 VanDerWaalsContact C-N 3.35Å; H275-R277 PolarHBondContact O-N 2.78Å
276T59.7Low68Low79 Ų7989.9 Ų89.949%0.48543%0.432SS..THydrogen-bonded Turntrans-64.70.2-178.460.80000115.3K272 K273 K278K272-T276 WeakPolarHBondContact O-CG2 3.3Å; K272-T276 PolarHBondContact O-N 3.15Å; K273-T276 PolarHBondContact O-OG1 3.47Å; T276-K278 PolarHBondContact O-N 3.22Å
277R55.2Low68.2Low232 Ų23289.2 Ų89.288%0.87544%0.437SS*.  trans50.3-2.3-177.3-76.7-173.5176.2177.11116.3H275 K279H275-R277 PolarHBondContact O-N 2.78Å; R277-K279 PolarHBondContact O-N 2.82Å; R277-K279 VanDerWaalsContact O-N 3.15Å
278K58.8Low68.4Low159 Ų15992.8 Ų92.869%0.69145%0.449SS*.  trans-72107.1173.7-70.9-178.7-178.8-179.50107.5T276 P280T276-K278 PolarHBondContact O-N 3.22Å; K278-P280 VanDerWaalsContact O-CD 3.28Å; K278-P280 WeakPolarHBondContact O-CD 3.39Å
279K69.2Low68.6Low111 Ų11193.4 Ų93.448%0.48346%0.457SS..  trans-10385.6169.4-69.5174.3169.4-1690107.3R277 Y281 A289 F290 I291R277-K279 PolarHBondContact O-N 2.82Å; R277-K279 VanDerWaalsContact O-N 3.15Å; K279-Y281 PolarHBondContact O-N 3.39Å; K279-A289 HydrophobicContact CB-CB 3.47Å; K279-A289 VanDerWaalsContact CB-CB 3.47Å; K279-A289 HydrophobicContact CD-CB 3.9Å; K279-A289 WeakPolarHBondContact CD-O 3.36Å; K279-A289 HydrophobicContact CG-CB 4.33Å; K279-F290 CarbonylContact C-O 3.58Å; K279-F290 VanDerWaalsContact C-O 3.27Å; K279-F290 WeakPolarHBondContact CA-O 3.48Å; K279-I291 HydrophobicContact CG-CG1 4.04Å
280P72.6Confident69Low89 Ų8991.4 Ų91.458%0.57844%0.441SS*.  trans-69.6-23.2-166.7-14.831.3000112.2K278 F290K278-P280 VanDerWaalsContact O-CD 3.28Å; K278-P280 WeakPolarHBondContact O-CD 3.39Å; P280-F290 WeakPolarHBondContact CD-O 3.42Å
281Y72Confident69.3Low100 Ų10089.2 Ų89.239%0.39243%0.431SS..EExtended strand (participates in β ladder)trans-102.598.2-170.6-56.8-76000109.9K279 A289 F290 I291 W292K279-Y281 PolarHBondContact O-N 3.39Å; Y281-A289 CarbonylContact O-C 3.55Å; Y281-A289 WeakPolarHBondContact O-CA 3.38Å; Y281-F290 PolarHBondContact N-O 3.43Å; Y281-F290 PolarHBondContact O-N 3Å; Y281-I291 VanDerWaalsContact CD2-O 3.3Å; Y281-I291 WeakPolarHBondContact CD2-O 3.32Å; Y281-I291 VanDerWaalsContact CE2-O 3.31Å; Y281-I291 WeakPolarHBondContact CE2-O 3.46Å; Y281-W292 VanDerWaalsContact CD2-C 3.46Å
282K69.6Low69.5Low135 Ų13592.8 Ų92.859%0.58744%0.444SS*.EExtended strand (participates in β ladder)trans-93.8142.5177.6-66.5-177.6-179.7177.80111.3A289 L296K282-A289 HydrophobicContact CG-CB 3.87Å; K282-L296 WeakPolarHBondContact O-CD2 3.38Å
283C80.6Confident69.8Low1 Ų190.9 Ų90.91%0.00744%0.443CS..  trans-87.8116.5169.3179.70000108.9E285 G287 K288 F290 L296 H303C283-E285 VanDerWaalsContact C-N 3.31Å; C283-E285 PolarHBondContact O-N 2.91Å; C283-G287 VanDerWaalsContact O-CA 3.23Å; C283-G287 WeakPolarHBondContact O-CA 3.43Å; C283-G287 PolarHBondContact O-N 3.36Å; C283-K288 WeakPolarHBondContact CB-O 3.24Å; C283-K288 PolarHBondContact N-O 3.39Å; C283-F290 HydrophobicContact CB-CE2 4.33Å; C283-L296 HydrophobicContact CB-CD1 3.52Å; C283-H303 PolarHBondContact SG-NE2 3.42Å; C283-H303 VanDerWaalsContact SG-NE2 3.39Å
284E73Confident70.1Confident167 Ų16789.5 Ų89.578%0.7845%0.447SS*.THydrogen-bonded Turntrans-65.2-32.3-179.5-59.6-55.3142.100112.6
285E70.5Confident70.7Confident126 Ų12687.1 Ų87.159%0.58944%0.436SS*.THydrogen-bonded Turntrans-75.3-27.2-178.4-72.3170.8144.300114.3C283 H303C283-E285 VanDerWaalsContact C-N 3.31Å; C283-E285 PolarHBondContact O-N 2.91Å; E285-H303 WeakPolarHBondContact OE2-CB 3.24Å; E285-H303 IonicContact OE2-CD2 3.03Å; E285-H303 PolarHBondContact OE2-CD2 3.02Å; E285-H303 IonicContact OE2-CG 3.21Å
286C71.6Confident71.5Confident28 Ų2885.2 Ų85.219%0.18943%0.428CS..THydrogen-bonded Turntrans-133.1-0.1-173.881.80000114.9K288 H299C286-K288 PolarHBondContact O-N 3.41Å; C286-K288 VanDerWaalsContact SG-CB 3.56Å; C286-K288 VanDerWaalsContact SG-CG 3.57Å; C286-K288 PolarHBondContact SG-N 3Å; C286-H299 PolarHBondContact SG-NE2 3.39Å
287G71.1Confident72.3Confident61 Ų6185.1 Ų85.163%0.62943%0.427SS*.  trans69.33.2179.900000115.2C283C283-G287 VanDerWaalsContact O-CA 3.23Å; C283-G287 WeakPolarHBondContact O-CA 3.43Å; C283-G287 PolarHBondContact O-N 3.36Å
288K72.3Confident73.4Confident117 Ų11779.8 Ų79.851%0.50941%0.407SS..  trans-73.6131.4-179.9-71.4-179.2180178.90110.7C283 C286 F290C283-K288 WeakPolarHBondContact CB-O 3.24Å; C283-K288 PolarHBondContact N-O 3.39Å; C286-K288 PolarHBondContact O-N 3.41Å; C286-K288 VanDerWaalsContact SG-CB 3.56Å; C286-K288 VanDerWaalsContact SG-CG 3.57Å; C286-K288 PolarHBondContact SG-N 3Å; K288-F290 HydrophobicContact CB-CE2 3.84Å; K288-F290 HydrophobicContact CB-CZ 3.96Å; K288-F290 WeakPolarHBondContact O-CE2 3.48Å
289A74.1Confident74.3Confident29 Ų2973.1 Ų73.124%0.2438%0.379CS..EExtended strand (participates in β ladder)trans-103.7141.1179.700000111.4K279 Y281 K282K279-A289 HydrophobicContact CB-CB 3.47Å; K279-A289 VanDerWaalsContact CB-CB 3.47Å; K279-A289 HydrophobicContact CD-CB 3.9Å; K279-A289 WeakPolarHBondContact CD-O 3.36Å; K279-A289 HydrophobicContact CG-CB 4.33Å; Y281-A289 CarbonylContact O-C 3.55Å; Y281-A289 WeakPolarHBondContact O-CA 3.38Å; K282-A289 HydrophobicContact CG-CB 3.87Å
290F76.7Confident74.6Confident43 Ų4372.3 Ų72.319%0.18938%0.375CS..EExtended strand (participates in β ladder)trans-126.7152.8-176.5-59.5-88.2000110.9K279 P280 Y281 C283 K288 T295 L296 H299K279-F290 CarbonylContact C-O 3.58Å; K279-F290 VanDerWaalsContact C-O 3.27Å; K279-F290 WeakPolarHBondContact CA-O 3.48Å; P280-F290 WeakPolarHBondContact CD-O 3.42Å; Y281-F290 PolarHBondContact N-O 3.43Å; Y281-F290 PolarHBondContact O-N 3Å; C283-F290 HydrophobicContact CB-CE2 4.33Å; K288-F290 HydrophobicContact CB-CE2 3.84Å; K288-F290 HydrophobicContact CB-CZ 3.96Å; K288-F290 WeakPolarHBondContact O-CE2 3.48Å; F290-T295 WeakPolarHBondContact CB-OG1 3.16Å; F290-L296 HydrophobicContact CB-CB 4.28Å; F290-L296 HydrophobicContact CD2-CB 3.87Å; F290-L296 HydrophobicContact CD2-CD1 3.68Å; F290-L296 HydrophobicContact CD2-CG 4.37Å; F290-L296 HydrophobicContact CE2-CD1 3.84Å; F290-L296 HydrophobicContact CG-CB 4.24Å; F290-H299 HydrophobicContact CE1-CB 4.03Å; F290-H299 HydrophobicContact CE2-CB 3.88Å; F290-H299 AromaticContact CE2-CD2 3.43Å; F290-H299 VanDerWaalsContact CE2-CD2 3.43Å; F290-H299 WeakPolarHBondContact CE2-CD2 3.47Å; F290-H299 AromaticContact CE2-CG 3.68Å; F290-H299 HydrophobicContact CZ-CB 3.47Å; F290-H299 VanDerWaalsContact CZ-CB 3.47Å; F290-H299 AromaticContact CZ-CD2 3.42Å; F290-H299 VanDerWaalsContact CZ-CD2 3.42Å; F290-H299 WeakPolarHBondContact CZ-CD2 2.93Å; F290-H299 AromaticContact CZ-CG 3.23Å; F290-H299 AromaticContact CZ-ND1 3.81Å
291I73.3Confident75.1Confident38 Ų3870.7 Ų70.720%0.19536%0.357CS..SBendtrans-78.8-33.4179.3-60.8167.7000110.5K273 I274 K279 Y281K273-I291 HydrophobicContact CB-CG2 4.2Å; I274-I291 HydrophobicContact CB-CD1 4.34Å; I274-I291 HydrophobicContact CG1-CD1 4.1Å; I274-I291 HydrophobicContact CG2-CD1 4.3Å; K279-I291 HydrophobicContact CG-CG1 4.04Å; Y281-I291 VanDerWaalsContact CD2-O 3.3Å; Y281-I291 WeakPolarHBondContact CD2-O 3.32Å; Y281-I291 VanDerWaalsContact CE2-O 3.31Å; Y281-I291 WeakPolarHBondContact CE2-O 3.46Å
292W76.9Confident74.9Confident93 Ų9372.8 Ų72.835%0.35237%0.372SS..SBendtrans-120.7143.3-178.5-58.3-65.5000112.5E270 Y281 S294 T295 L296E270-W292 HydrophobicContact CG-CZ2 3.92Å; E270-W292 VanDerWaalsContact OE1-CE2 3.29Å; E270-W292 WeakPolarHBondContact OE1-CZ2 3.46Å; E270-W292 PolarHBondContact OE1-NE1 2.95Å; Y281-W292 VanDerWaalsContact CD2-C 3.46Å; W292-S294 VanDerWaalsContact C-N 3.33Å; W292-S294 PolarHBondContact O-N 2.86Å; W292-T295 HydrophobicContact CB-CG2 4.39Å; W292-T295 HydrophobicContact CE3-CG2 3.9Å; W292-T295 PolarHBondContact O-N 3.15Å; W292-T295 PolarHBondContact O-OG1 3.26Å; W292-L296 PolarHBondContact O-N 3.22Å
293S73.3Confident75.1Confident60 Ų6069.9 Ų69.942%0.4236%0.361SS..Hα-helixtrans-60.4-40.4175.756.60000112.1T295 L296 T297S293-T295 VanDerWaalsContact C-N 3.27Å; S293-T295 PolarHBondContact O-N 3.12Å; S293-L296 WeakPolarHBondContact O-CB 3.44Å; S293-L296 PolarHBondContact O-N 2.8Å; S293-L296 VanDerWaalsContact O-N 3.09Å; S293-T297 PolarHBondContact O-N 3.15Å; S293-T297 PolarHBondContact O-OG1 2.96Å; S293-T297 VanDerWaalsContact O-OG1 3.07Å
294S76.1Confident74.7Confident80 Ų8073.4 Ų73.456%0.55938%0.382SS*.Hα-helixtrans-56.9-38.9176.6590000112.8W292 R298W292-S294 VanDerWaalsContact C-N 3.33Å; W292-S294 PolarHBondContact O-N 2.86Å; S294-R298 WeakPolarHBondContact O-CB 3.5Å; S294-R298 PolarHBondContact O-N 3.35Å
295T75.6Confident74.6Confident23 Ų2367.7 Ų67.714%0.14137%0.368CS..Hα-helixtrans-73.3-34176.757.60000113F290 W292 S293 H299F290-T295 WeakPolarHBondContact CB-OG1 3.16Å; W292-T295 HydrophobicContact CB-CG2 4.39Å; W292-T295 HydrophobicContact CE3-CG2 3.9Å; W292-T295 PolarHBondContact O-N 3.15Å; W292-T295 PolarHBondContact O-OG1 3.26Å; S293-T295 VanDerWaalsContact C-N 3.27Å; S293-T295 PolarHBondContact O-N 3.12Å; T295-H299 VanDerWaalsContact O-CB 3.32Å; T295-H299 WeakPolarHBondContact O-CB 3.46Å; T295-H299 PolarHBondContact O-N 3.4Å
296L78.8Confident74.8Confident18 Ų1866.8 Ų66.89%0.09436%0.364CS..Hα-helixtrans-66.3-45.7170.9172.763.4000110.9K282 C283 F290 W292 S293 R298 H299 K300K282-L296 WeakPolarHBondContact O-CD2 3.38Å; C283-L296 HydrophobicContact CB-CD1 3.52Å; F290-L296 HydrophobicContact CB-CB 4.28Å; F290-L296 HydrophobicContact CD2-CB 3.87Å; F290-L296 HydrophobicContact CD2-CD1 3.68Å; F290-L296 HydrophobicContact CD2-CG 4.37Å; F290-L296 HydrophobicContact CE2-CD1 3.84Å; F290-L296 HydrophobicContact CG-CB 4.24Å; W292-L296 PolarHBondContact O-N 3.22Å; S293-L296 WeakPolarHBondContact O-CB 3.44Å; S293-L296 PolarHBondContact O-N 2.8Å; S293-L296 VanDerWaalsContact O-N 3.09Å; L296-R298 VanDerWaalsContact C-N 3.32Å; L296-R298 PolarHBondContact O-N 3.47Å; L296-H299 CarbonylContact O-C 3.27Å; L296-H299 WeakPolarHBondContact O-CA 3.3Å; L296-H299 WeakPolarHBondContact O-CB 3.45Å; L296-H299 PolarHBondContact O-N 3.21Å; L296-K300 HydrophobicContact CD1-CG 4.22Å; L296-K300 HydrophobicContact CG-CG 4.49Å; L296-K300 WeakPolarHBondContact O-CG 3.44Å; L296-K300 PolarHBondContact O-N 3.49Å
297T76.9Confident75.2Confident77 Ų7771.3 Ų71.347%0.47238%0.381SS..Hα-helixtrans-59.2-44.2177.3-55.90000111S293 H299 K300 R301S293-T297 PolarHBondContact O-N 3.15Å; S293-T297 PolarHBondContact O-OG1 2.96Å; S293-T297 VanDerWaalsContact O-OG1 3.07Å; T297-H299 VanDerWaalsContact C-N 3.31Å; T297-H299 PolarHBondContact O-N 3.49Å; T297-K300 PolarHBondContact O-N 3.19Å; T297-R301 PolarHBondContact O-N 3.17Å
298R78.3Confident75.8Confident121 Ų12171.7 Ų71.746%0.45737%0.372SS..Hα-helixtrans-63.1-37.2173.5-175.7174.667.2-172.5-4.6112.6S294 L296 Q320S294-R298 WeakPolarHBondContact O-CB 3.5Å; S294-R298 PolarHBondContact O-N 3.35Å; L296-R298 VanDerWaalsContact C-N 3.32Å; L296-R298 PolarHBondContact O-N 3.47Å; R298-Q320 HydrophobicContact CG-CG 4.28Å
299H78.8Confident76.2Confident19 Ų1970 Ų709%0.08836%0.363CS..Hα-helixtrans-68.4-39.6176.5175.763.4000112.4C286 F290 T295 L296 T297 R301 M302 H303C286-H299 PolarHBondContact SG-NE2 3.39Å; F290-H299 HydrophobicContact CE1-CB 4.03Å; F290-H299 HydrophobicContact CE2-CB 3.88Å; F290-H299 AromaticContact CE2-CD2 3.43Å; F290-H299 VanDerWaalsContact CE2-CD2 3.43Å; F290-H299 WeakPolarHBondContact CE2-CD2 3.47Å; F290-H299 AromaticContact CE2-CG 3.68Å; F290-H299 HydrophobicContact CZ-CB 3.47Å; F290-H299 VanDerWaalsContact CZ-CB 3.47Å; F290-H299 AromaticContact CZ-CD2 3.42Å; F290-H299 VanDerWaalsContact CZ-CD2 3.42Å; F290-H299 WeakPolarHBondContact CZ-CD2 2.93Å; F290-H299 AromaticContact CZ-CG 3.23Å; F290-H299 AromaticContact CZ-ND1 3.81Å; T295-H299 VanDerWaalsContact O-CB 3.32Å; T295-H299 WeakPolarHBondContact O-CB 3.46Å; T295-H299 PolarHBondContact O-N 3.4Å; L296-H299 CarbonylContact O-C 3.27Å; L296-H299 WeakPolarHBondContact O-CA 3.3Å; L296-H299 WeakPolarHBondContact O-CB 3.45Å; L296-H299 PolarHBondContact O-N 3.21Å; T297-H299 VanDerWaalsContact C-N 3.31Å; T297-H299 PolarHBondContact O-N 3.49Å; H299-R301 PolarHBondContact O-N 3.39Å; H299-M302 VanDerWaalsContact O-CB 3.23Å; H299-M302 WeakPolarHBondContact O-CB 3.4Å; H299-M302 WeakPolarHBondContact O-CG 3.37Å; H299-M302 PolarHBondContact O-N 2.58Å; H299-H303 AromaticContact CD2-NE2 3.89Å; H299-H303 AromaticContact CE1-NE2 3.78Å; H299-H303 AromaticContact NE2-CE1 3.92Å; H299-H303 AromaticContact NE2-NE2 3.2Å; H299-H303 PolarHBondContact NE2-NE2 2.76Å; H299-H303 VanDerWaalsContact NE2-NE2 3.2Å
300K75.3Confident76.3Confident93 Ų9375 Ų7540%0.40438%0.379SS..Hα-helixtrans-58.6-32.1176.8-75.2-174.1174.2-168.50112.7L296 T297 M302 H303 T304L296-K300 HydrophobicContact CD1-CG 4.22Å; L296-K300 HydrophobicContact CG-CG 4.49Å; L296-K300 WeakPolarHBondContact O-CG 3.44Å; L296-K300 PolarHBondContact O-N 3.49Å; T297-K300 PolarHBondContact O-N 3.19Å; K300-M302 PolarHBondContact O-N 3.41Å; K300-M302 VanDerWaalsContact O-N 3.07Å; K300-H303 PolarHBondContact O-N 3Å; K300-T304 PolarHBondContact O-N 3.13Å; K300-T304 VanDerWaalsContact O-N 3.11Å; K300-T304 PolarHBondContact O-OG1 3.12Å
301R81.6Confident76.6Confident56 Ų5673 Ų7321%0.21137%0.371CS..THydrogen-bonded Turntrans-59.7-18.2172.8-63-180-176.7171.90.4114.1T297 H299 G305 E306 S319T297-R301 PolarHBondContact O-N 3.17Å; H299-R301 PolarHBondContact O-N 3.39Å; R301-G305 PolarHBondContact O-N 2.8Å; R301-E306 HydrophobicContact CB-CB 4.37Å; R301-E306 HydrophobicContact CG-CB 4.2Å; R301-E306 PolarHBondContact O-N 3.41Å; R301-S319 PolarHBondContact NH1-O 2.82Å
302M69.2Low76.9Confident143 Ų14379.2 Ų79.270%0.70440%0.399SS*.THydrogen-bonded Turntrans-76-28173.7-60.3-177.661.900112.7H299 K300H299-M302 VanDerWaalsContact O-CB 3.23Å; H299-M302 WeakPolarHBondContact O-CB 3.4Å; H299-M302 WeakPolarHBondContact O-CG 3.37Å; H299-M302 PolarHBondContact O-N 2.58Å; K300-M302 PolarHBondContact O-N 3.41Å; K300-M302 VanDerWaalsContact O-N 3.07Å
303H72.4Confident76.8Confident75 Ų7580.8 Ų80.835%0.34741%0.41SS..THydrogen-bonded Turntrans-88.2-42.7179.1-57.2-53.1000111.2C283 E285 H299 K300 G305C283-H303 PolarHBondContact SG-NE2 3.42Å; C283-H303 VanDerWaalsContact SG-NE2 3.39Å; E285-H303 WeakPolarHBondContact OE2-CB 3.24Å; E285-H303 IonicContact OE2-CD2 3.03Å; E285-H303 PolarHBondContact OE2-CD2 3.02Å; E285-H303 IonicContact OE2-CG 3.21Å; H299-H303 AromaticContact CD2-NE2 3.89Å; H299-H303 AromaticContact CE1-NE2 3.78Å; H299-H303 AromaticContact NE2-CE1 3.92Å; H299-H303 AromaticContact NE2-NE2 3.2Å; H299-H303 PolarHBondContact NE2-NE2 2.76Å; H299-H303 VanDerWaalsContact NE2-NE2 3.2Å; K300-H303 PolarHBondContact O-N 3Å; H303-G305 PolarHBondContact O-N 3.32Å
304T72.9Confident77Confident74 Ų7480.3 Ų80.345%0.45441%0.407SS..SBendtrans-76.8-11.7179.3620000113.4K300 E306K300-T304 PolarHBondContact O-N 3.13Å; K300-T304 VanDerWaalsContact O-N 3.11Å; K300-T304 PolarHBondContact O-OG1 3.12Å; T304-E306 PolarHBondContact O-N 3.06Å; T304-E306 VanDerWaalsContact O-N 3.16Å; T304-E306 WeakPolarHBondContact OG1-CG 3.49Å
305G71.9Confident77Confident48 Ų4879.4 Ų79.450%0.49541%0.41SS..  trans67.77.6-175.300000114.1R301 H303 K307R301-G305 PolarHBondContact O-N 2.8Å; H303-G305 PolarHBondContact O-N 3.32Å; G305-K307 PolarHBondContact O-N 3.35Å
306E74.4Confident77.1Confident107 Ų10784.3 Ų84.350%0.543%0.429SS..  trans-58.7122.9-179.4-80.1176.1-159.900111.4R301 T304 P308R301-E306 HydrophobicContact CB-CB 4.37Å; R301-E306 HydrophobicContact CG-CB 4.2Å; R301-E306 PolarHBondContact O-N 3.41Å; T304-E306 PolarHBondContact O-N 3.06Å; T304-E306 VanDerWaalsContact O-N 3.16Å; T304-E306 WeakPolarHBondContact OG1-CG 3.49Å; E306-P308 WeakPolarHBondContact O-CD 3.48Å
307K80Confident77.2Confident122 Ų12285 Ų8553%0.5344%0.437SS..  trans-123.977177.2-72.6165.3174.5-177.60109.6G305 Y309 A317 F318G305-K307 PolarHBondContact O-N 3.35Å; K307-Y309 PolarHBondContact O-N 3.12Å; K307-A317 HydrophobicContact CB-CB 3.49Å; K307-A317 VanDerWaalsContact CB-CB 3.49Å; K307-A317 HydrophobicContact CD-CB 4.14Å; K307-A317 WeakPolarHBondContact CD-O 2.96Å; K307-A317 HydrophobicContact CG-CB 4.39Å; K307-F318 CarbonylContact C-O 3.56Å; K307-F318 VanDerWaalsContact CA-O 3.27Å; K307-F318 WeakPolarHBondContact CA-O 3.42Å
308P82.6Confident77.4Confident70 Ų7083.3 Ų83.346%0.45542%0.423SS..  trans-66.2-20.6-172.3-21.434.5000114E306E306-P308 WeakPolarHBondContact O-CD 3.48Å
309Y80.7Confident77.5Confident80 Ų8079.4 Ų79.431%0.31441%0.414SS..EExtended strand (participates in β ladder)trans-102.795.7-172.5-55.4-76.5000109.9K307 A317 F318 S321K307-Y309 PolarHBondContact O-N 3.12Å; Y309-A317 CarbonylContact O-C 3.58Å; Y309-A317 WeakPolarHBondContact O-CA 3.31Å; Y309-F318 PolarHBondContact N-O 3.26Å; Y309-F318 PolarHBondContact O-N 3.21Å; Y309-S321 VanDerWaalsContact CD2-N 3.31Å; Y309-S321 VanDerWaalsContact CE2-N 3.34Å
310K77.3Confident77.5Confident135 Ų13581.4 Ų81.459%0.58742%0.424SS*.EExtended strand (participates in β ladder)trans-88.9144.6178.3-65.1-178.3-178.7177.60111.2A317 L324K310-A317 HydrophobicContact CG-CB 3.85Å; K310-L324 WeakPolarHBondContact O-CD2 3.45Å
311C82.6Confident77.7Confident2 Ų279.9 Ų79.91%0.01443%0.425CS..  trans-91.1116.5170.4-179.70000108.7E313 C314 G315 K316 F318 L324 H331C311-E313 VanDerWaalsContact C-N 3.25Å; C311-E313 PolarHBondContact O-N 3.42Å; C311-C314 VanDerWaalsContact SG-SG 3.67Å; C311-G315 VanDerWaalsContact O-CA 3.23Å; C311-G315 WeakPolarHBondContact O-CA 3.49Å; C311-G315 PolarHBondContact O-N 3.35Å; C311-K316 WeakPolarHBondContact CB-O 3.14Å; C311-K316 PolarHBondContact N-O 3.4Å; C311-F318 HydrophobicContact CB-CE2 4.34Å; C311-L324 HydrophobicContact CB-CD1 3.59Å; C311-H331 VanDerWaalsContact SG-CD2 3.51Å; C311-H331 PolarHBondContact SG-NE2 3.24Å
312E78.9Confident77.4Confident168 Ų16880.3 Ų80.379%0.78544%0.436SS*.THydrogen-bonded Turntrans-64.7-28.5-179.4-56.8-51.913800112.8
313E76.1Confident77.7Confident125 Ų12575.9 Ų75.958%0.58442%0.417SS*.THydrogen-bonded Turntrans-79.4-25.7-176.6-67.8168.8157.600114.1C311 H331C311-E313 VanDerWaalsContact C-N 3.25Å; C311-E313 PolarHBondContact O-N 3.42Å; E313-H331 WeakPolarHBondContact OE2-CB 3.27Å; E313-H331 IonicContact OE2-CD2 2.93Å; E313-H331 PolarHBondContact OE2-CD2 2.78Å; E313-H331 IonicContact OE2-CG 3.03Å
314C76.5Confident78.1Confident51 Ų5173.1 Ų73.135%0.34541%0.405SS..THydrogen-bonded Turntrans-137.56.1-176.475.70000114.8C311 K316 H327 H331C311-C314 VanDerWaalsContact SG-SG 3.67Å; C314-K316 PolarHBondContact O-N 3.01Å; C314-K316 VanDerWaalsContact SG-CB 3.57Å; C314-H327 PolarHBondContact SG-NE2 3.36Å; C314-H331 VanDerWaalsContact CB-CE1 3.42Å; C314-H331 WeakPolarHBondContact CB-CE1 3.45Å; C314-H331 VanDerWaalsContact SG-CE1 3.52Å; C314-H331 PolarHBondContact SG-NE2 2.88Å
315G76.9Confident78.2Confident60 Ų6073.9 Ų73.962%0.61941%0.41SS*.  trans67.2-0.1-178.900000115.3C311 A317C311-G315 VanDerWaalsContact O-CA 3.23Å; C311-G315 WeakPolarHBondContact O-CA 3.49Å; C311-G315 PolarHBondContact O-N 3.35Å; G315-A317 PolarHBondContact O-N 3.15Å
316K76.2Confident78.2Confident127 Ų12774 Ų7455%0.55240%0.401SS*.  trans-70.8129.2-177.8-73.4-179.1179.4174.60111.2C311 C314 F318C311-K316 WeakPolarHBondContact CB-O 3.14Å; C311-K316 PolarHBondContact N-O 3.4Å; C314-K316 PolarHBondContact O-N 3.01Å; C314-K316 VanDerWaalsContact SG-CB 3.57Å; K316-F318 HydrophobicContact CB-CE2 3.91Å; K316-F318 HydrophobicContact CB-CZ 3.99Å; K316-F318 WeakPolarHBondContact O-CE2 3.33Å
317A81.5Confident78.2Confident32 Ų3269.8 Ų69.826%0.26438%0.381SS..EExtended strand (participates in β ladder)trans-102.7141.3-17900000112.2K307 Y309 K310 G315K307-A317 HydrophobicContact CB-CB 3.49Å; K307-A317 VanDerWaalsContact CB-CB 3.49Å; K307-A317 HydrophobicContact CD-CB 4.14Å; K307-A317 WeakPolarHBondContact CD-O 2.96Å; K307-A317 HydrophobicContact CG-CB 4.39Å; Y309-A317 CarbonylContact O-C 3.58Å; Y309-A317 WeakPolarHBondContact O-CA 3.31Å; K310-A317 HydrophobicContact CG-CB 3.85Å; G315-A317 PolarHBondContact O-N 3.15Å
318F81.7Confident77.9Confident42 Ų4268.7 Ų68.718%0.18438%0.377CS..EExtended strand (participates in β ladder)trans-127.1150-177.3-58.5-87.7000111.6K307 Y309 C311 K316 L324 H327K307-F318 CarbonylContact C-O 3.56Å; K307-F318 VanDerWaalsContact CA-O 3.27Å; K307-F318 WeakPolarHBondContact CA-O 3.42Å; Y309-F318 PolarHBondContact N-O 3.26Å; Y309-F318 PolarHBondContact O-N 3.21Å; C311-F318 HydrophobicContact CB-CE2 4.34Å; K316-F318 HydrophobicContact CB-CE2 3.91Å; K316-F318 HydrophobicContact CB-CZ 3.99Å; K316-F318 WeakPolarHBondContact O-CE2 3.33Å; F318-L324 HydrophobicContact CB-CB 4.35Å; F318-L324 HydrophobicContact CD2-CB 3.93Å; F318-L324 HydrophobicContact CD2-CD1 3.71Å; F318-L324 HydrophobicContact CD2-CG 4.42Å; F318-L324 HydrophobicContact CE2-CD1 3.9Å; F318-L324 HydrophobicContact CG-CB 4.32Å; F318-H327 HydrophobicContact CE1-CB 4.08Å; F318-H327 HydrophobicContact CE2-CB 3.82Å; F318-H327 AromaticContact CE2-CD2 3.4Å; F318-H327 WeakPolarHBondContact CE2-CD2 3.37Å; F318-H327 AromaticContact CE2-CG 3.54Å; F318-H327 HydrophobicContact CZ-CB 3.51Å; F318-H327 AromaticContact CZ-CD2 3.46Å; F318-H327 VanDerWaalsContact CZ-CD2 3.46Å; F318-H327 WeakPolarHBondContact CZ-CD2 3.26Å; F318-H327 AromaticContact CZ-CE1 3.93Å; F318-H327 AromaticContact CZ-CG 3.17Å; F318-H327 AromaticContact CZ-ND1 3.5Å; F318-H327 WeakPolarHBondContact CZ-ND1 3.3Å; F318-H327 AromaticContact CZ-NE2 3.9Å
319S79.4Confident77.3Confident38 Ų3866.5 Ų66.527%0.26636%0.361SS..SBendtrans-81.7-15.5179.157.90000113.5R301R301-S319 PolarHBondContact NH1-O 2.82Å
320Q80.1Confident76.6Confident61 Ų6166.5 Ų66.529%0.28537%0.366SS..SBendtrans-132.4141.4-179.7-55.7-178.524.700111.7R298 S322 T323 L324R298-Q320 HydrophobicContact CG-CG 4.28Å; Q320-S322 PolarHBondContact O-N 3.23Å; Q320-T323 HydrophobicContact CB-CG2 4.35Å; Q320-T323 PolarHBondContact O-N 3.34Å; Q320-T323 PolarHBondContact O-OG1 3.07Å; Q320-L324 PolarHBondContact O-N 3.41Å
321S78.9Confident76.2Confident62 Ų6263.5 Ų63.543%0.43435%0.353SS..Hα-helixtrans-63.1-40.9177.154.10000111.9Y309 T323 L324 T325Y309-S321 VanDerWaalsContact CD2-N 3.31Å; Y309-S321 VanDerWaalsContact CE2-N 3.34Å; S321-T323 VanDerWaalsContact C-N 3.29Å; S321-T323 PolarHBondContact O-N 3.09Å; S321-L324 WeakPolarHBondContact O-CB 3.43Å; S321-L324 PolarHBondContact O-N 3.12Å; S321-L324 VanDerWaalsContact O-N 3.09Å; S321-T325 PolarHBondContact O-N 3.08Å; S321-T325 PolarHBondContact O-OG1 3.16Å; S321-T325 VanDerWaalsContact O-OG1 3.08Å
322S76.1Confident75.3Confident64 Ų6467 Ų6745%0.44838%0.375SS..Hα-helixtrans-56.5-41.2176.9550000112.7Q320 T325 T326Q320-S322 PolarHBondContact O-N 3.23Å; S322-T325 PolarHBondContact O-N 3.49Å; S322-T326 WeakPolarHBondContact O-CG2 3.46Å; S322-T326 PolarHBondContact O-N 3.11Å; S322-T326 PolarHBondContact O-OG1 3.4Å
323T75.6Confident74.4Confident50 Ų5061.6 Ų61.631%0.30736%0.364SS..Hα-helixtrans-68.7-37.417751.80000112.3Q320 S321 T326 H327Q320-T323 HydrophobicContact CB-CG2 4.35Å; Q320-T323 PolarHBondContact O-N 3.34Å; Q320-T323 PolarHBondContact O-OG1 3.07Å; S321-T323 VanDerWaalsContact C-N 3.29Å; S321-T323 PolarHBondContact O-N 3.09Å; T323-T326 WeakPolarHBondContact CA-OG1 3.45Å; T323-T326 PolarHBondContact O-N 2.87Å; T323-T326 PolarHBondContact O-OG1 3.34Å; T323-H327 VanDerWaalsContact O-CB 3.3Å; T323-H327 WeakPolarHBondContact O-CB 3.23Å; T323-H327 PolarHBondContact O-N 2.89Å
324L79.2Confident73.7Confident18 Ų1860.1 Ų60.19%0.09436%0.357CS..Hα-helixtrans-63.9-44.6172.1173.664.4000110.9K310 C311 F318 Q320 S321 T326 H327 K328K310-L324 WeakPolarHBondContact O-CD2 3.45Å; C311-L324 HydrophobicContact CB-CD1 3.59Å; F318-L324 HydrophobicContact CB-CB 4.35Å; F318-L324 HydrophobicContact CD2-CB 3.93Å; F318-L324 HydrophobicContact CD2-CD1 3.71Å; F318-L324 HydrophobicContact CD2-CG 4.42Å; F318-L324 HydrophobicContact CE2-CD1 3.9Å; F318-L324 HydrophobicContact CG-CB 4.32Å; Q320-L324 PolarHBondContact O-N 3.41Å; S321-L324 WeakPolarHBondContact O-CB 3.43Å; S321-L324 PolarHBondContact O-N 3.12Å; S321-L324 VanDerWaalsContact O-N 3.09Å; L324-T326 VanDerWaalsContact C-N 3.32Å; L324-T326 PolarHBondContact O-N 2.85Å; L324-H327 CarbonylContact O-C 3.51Å; L324-H327 WeakPolarHBondContact O-CA 3.45Å; L324-H327 WeakPolarHBondContact O-CB 2.98Å; L324-H327 PolarHBondContact O-N 3.1Å; L324-K328 HydrophobicContact CD1-CG 4.26Å; L324-K328 WeakPolarHBondContact O-CG 3.3Å; L324-K328 PolarHBondContact O-N 3.31Å
325T76.3Confident73.1Confident90 Ų9062.9 Ų62.955%0.55236%0.364SS*.Hα-helixtrans-58.1-44.9176.3-53.30000111.1S321 S322 H327 K328 I329S321-T325 PolarHBondContact O-N 3.08Å; S321-T325 PolarHBondContact O-OG1 3.16Å; S321-T325 VanDerWaalsContact O-OG1 3.08Å; S322-T325 PolarHBondContact O-N 3.49Å; T325-H327 VanDerWaalsContact C-N 3.27Å; T325-H327 PolarHBondContact O-N 2.88Å; T325-K328 PolarHBondContact O-N 3.47Å; T325-I329 WeakPolarHBondContact O-CG1 3.46Å
326T71Confident72.5Confident50 Ų5067.8 Ų67.831%0.30736%0.363SS..Hα-helixtrans-68.2-26.2174.859.10000113.6S322 T323 L324 I329 Q348S322-T326 WeakPolarHBondContact O-CG2 3.46Å; S322-T326 PolarHBondContact O-N 3.11Å; S322-T326 PolarHBondContact O-OG1 3.4Å; T323-T326 WeakPolarHBondContact CA-OG1 3.45Å; T323-T326 PolarHBondContact O-N 2.87Å; T323-T326 PolarHBondContact O-OG1 3.34Å; L324-T326 VanDerWaalsContact C-N 3.32Å; L324-T326 PolarHBondContact O-N 2.85Å; T326-I329 WeakPolarHBondContact O-CB 3.41Å; T326-Q348 HydrophobicContact CG2-CG 4.49Å
327H75.9Confident72Confident18 Ų1865.9 Ų65.98%0.08335%0.353CS..Hα-helixtrans-75.9-37.9177.1176.171.4000112.2C314 F318 T323 L324 T325 I329 I330 H331C314-H327 PolarHBondContact SG-NE2 3.36Å; F318-H327 HydrophobicContact CE1-CB 4.08Å; F318-H327 HydrophobicContact CE2-CB 3.82Å; F318-H327 AromaticContact CE2-CD2 3.4Å; F318-H327 WeakPolarHBondContact CE2-CD2 3.37Å; F318-H327 AromaticContact CE2-CG 3.54Å; F318-H327 HydrophobicContact CZ-CB 3.51Å; F318-H327 AromaticContact CZ-CD2 3.46Å; F318-H327 VanDerWaalsContact CZ-CD2 3.46Å; F318-H327 WeakPolarHBondContact CZ-CD2 3.26Å; F318-H327 AromaticContact CZ-CE1 3.93Å; F318-H327 AromaticContact CZ-CG 3.17Å; F318-H327 AromaticContact CZ-ND1 3.5Å; F318-H327 WeakPolarHBondContact CZ-ND1 3.3Å; F318-H327 AromaticContact CZ-NE2 3.9Å; T323-H327 VanDerWaalsContact O-CB 3.3Å; T323-H327 WeakPolarHBondContact O-CB 3.23Å; T323-H327 PolarHBondContact O-N 2.89Å; L324-H327 CarbonylContact O-C 3.51Å; L324-H327 WeakPolarHBondContact O-CA 3.45Å; L324-H327 WeakPolarHBondContact O-CB 2.98Å; L324-H327 PolarHBondContact O-N 3.1Å; T325-H327 VanDerWaalsContact C-N 3.27Å; T325-H327 PolarHBondContact O-N 2.88Å; H327-I329 PolarHBondContact O-N 3.05Å; H327-I330 WeakPolarHBondContact O-CB 3.35Å; H327-I330 VanDerWaalsContact O-CG1 3.24Å; H327-I330 WeakPolarHBondContact O-CG1 3.49Å; H327-I330 PolarHBondContact O-N 3.37Å; H327-H331 AromaticContact CD2-NE2 3.77Å; H327-H331 AromaticContact CE1-NE2 3.9Å; H327-H331 AromaticContact NE2-CE1 3.83Å; H327-H331 AromaticContact NE2-NE2 3.15Å; H327-H331 PolarHBondContact NE2-NE2 3.15Å; H327-H331 VanDerWaalsContact NE2-NE2 3.15Å
328K71.8Confident71.2Confident99 Ų9971.1 Ų71.143%0.4337%0.37SS..Hα-helixtrans-58.1-29.4175.5-72.4-174.3175.1-167.10112.5L324 T325 I330 H331 T332L324-K328 HydrophobicContact CD1-CG 4.26Å; L324-K328 WeakPolarHBondContact O-CG 3.3Å; L324-K328 PolarHBondContact O-N 3.31Å; T325-K328 PolarHBondContact O-N 3.47Å; K328-I330 PolarHBondContact O-N 3.47Å; K328-I330 VanDerWaalsContact O-N 3.15Å; K328-H331 PolarHBondContact O-N 3.4Å; K328-H331 VanDerWaalsContact O-N 3.1Å; K328-T332 PolarHBondContact O-N 3.19Å
329I71.6Confident70.9Confident25 Ų2569.2 Ų69.213%0.12836%0.362CS..Hα-helixtrans-61.7-20.8173.4-56.7173.2000112.5T325 T326 H327 T332 G333 E334T325-I329 WeakPolarHBondContact O-CG1 3.46Å; T326-I329 WeakPolarHBondContact O-CB 3.41Å; H327-I329 PolarHBondContact O-N 3.05Å; I329-T332 PolarHBondContact O-OG1 3.06Å; I329-G333 PolarHBondContact O-N 3.48Å; I329-E334 WeakPolarHBondContact CG2-O 3.48Å
330I66.2Low70.4Confident80 Ų8075.1 Ų75.141%0.4139%0.39SS..Hα-helixtrans-72.6-37.3176.5-53.5-172.9000111H327 K328 K347H327-I330 WeakPolarHBondContact O-CB 3.35Å; H327-I330 VanDerWaalsContact O-CG1 3.24Å; H327-I330 WeakPolarHBondContact O-CG1 3.49Å; H327-I330 PolarHBondContact O-N 3.37Å; K328-I330 PolarHBondContact O-N 3.47Å; K328-I330 VanDerWaalsContact O-N 3.15Å; I330-K347 HydrophobicContact CG1-CD 4.08Å
331H67.4Low70Confident71 Ų7178.3 Ų78.333%0.32941%0.405SS..Hα-helixtrans-78.6-38-177.5-60.5-49.4000112C311 E313 C314 H327 K328 G333C311-H331 VanDerWaalsContact SG-CD2 3.51Å; C311-H331 PolarHBondContact SG-NE2 3.24Å; E313-H331 WeakPolarHBondContact OE2-CB 3.27Å; E313-H331 IonicContact OE2-CD2 2.93Å; E313-H331 PolarHBondContact OE2-CD2 2.78Å; E313-H331 IonicContact OE2-CG 3.03Å; C314-H331 VanDerWaalsContact CB-CE1 3.42Å; C314-H331 WeakPolarHBondContact CB-CE1 3.45Å; C314-H331 VanDerWaalsContact SG-CE1 3.52Å; C314-H331 PolarHBondContact SG-NE2 2.88Å; H327-H331 AromaticContact CD2-NE2 3.77Å; H327-H331 AromaticContact CE1-NE2 3.9Å; H327-H331 AromaticContact NE2-CE1 3.83Å; H327-H331 AromaticContact NE2-NE2 3.15Å; H327-H331 PolarHBondContact NE2-NE2 3.15Å; H327-H331 VanDerWaalsContact NE2-NE2 3.15Å; K328-H331 PolarHBondContact O-N 3.4Å; K328-H331 VanDerWaalsContact O-N 3.1Å; H331-G333 PolarHBondContact O-N 2.85Å
332T64.8Low69.8Low75 Ų7577.9 Ų77.946%0.4640%0.401SS..SBendtrans-71.7-11.7174.662.70000113.1K328 I329 E334K328-T332 PolarHBondContact O-N 3.19Å; I329-T332 PolarHBondContact O-OG1 3.06Å; T332-E334 PolarHBondContact O-N 3.1Å
333G60.2Low69.3Low55 Ų5577.6 Ų77.657%0.56741%0.408SS*.  trans64.7-1.9-17600000114.5I329 H331 K335I329-G333 PolarHBondContact O-N 3.48Å; H331-G333 PolarHBondContact O-N 2.85Å; G333-K335 PolarHBondContact O-N 3.42Å
334E61.4Low69.1Low94 Ų9481.3 Ų81.344%0.43942%0.42SS..  trans-70.591.9-174.9-71.5-171.5163.600111.3I329 T332 R336I329-E334 WeakPolarHBondContact CG2-O 3.48Å; T332-E334 PolarHBondContact O-N 3.1Å; E334-R336 HydrophobicContact CB-CG 4.17Å; E334-R336 PolarHBondContact O-N 3.26Å; E334-R336 IonicContact OE2-CZ 3.78Å; E334-R336 IonicContact OE2-NE 3.16Å; E334-R336 PolarHBondContact OE2-NE 3.2Å; E334-R336 IonicContact OE2-NH2 2.95Å; E334-R336 PolarHBondContact OE2-NH2 3.4Å
335K62.1Low68.7Low110 Ų11081.6 Ų81.648%0.47843%0.425SS..  trans-78.279.7165.8-63171.6177179.80109.1G333 Y337 A345G333-K335 PolarHBondContact O-N 3.42Å; K335-Y337 PolarHBondContact O-N 2.91Å; K335-A345 HydrophobicContact CB-CB 3.29Å; K335-A345 HydrophobicContact CD-CB 3.58Å; K335-A345 WeakPolarHBondContact CD-O 3.24Å; K335-A345 HydrophobicContact CG-CB 4.07Å
336R64.8Low68.6Low162 Ų16279.3 Ų79.361%0.61141%0.408SS*.  trans-57.8-29.2-174.8-64.4-176.9178.6-175.7-3.7113.9E334E334-R336 HydrophobicContact CB-CG 4.17Å; E334-R336 PolarHBondContact O-N 3.26Å; E334-R336 IonicContact OE2-CZ 3.78Å; E334-R336 IonicContact OE2-NE 3.16Å; E334-R336 PolarHBondContact OE2-NE 3.2Å; E334-R336 IonicContact OE2-NH2 2.95Å; E334-R336 PolarHBondContact OE2-NH2 3.4Å
337Y65.7Low68.4Low88 Ų8881.2 Ų81.235%0.34541%0.412SS..EExtended strand (participates in β ladder)trans-104.187.5-174.9-59.2-69.9000110.3K335 F346 L349K335-Y337 PolarHBondContact O-N 2.91Å; Y337-F346 PolarHBondContact N-O 3.49Å; Y337-F346 PolarHBondContact O-N 3.13Å; Y337-L349 HydrophobicContact CD1-CB 4.06Å; Y337-L349 HydrophobicContact CD1-CD1 3.7Å; Y337-L349 HydrophobicContact CD1-CG 4.45Å; Y337-L349 HydrophobicContact CD2-CB 4.45Å; Y337-L349 HydrophobicContact CE1-CB 3.83Å; Y337-L349 HydrophobicContact CE1-CD1 3.9Å; Y337-L349 HydrophobicContact CE1-CG 4.3Å; Y337-L349 HydrophobicContact CE2-CB 4.22Å; Y337-L349 HydrophobicContact CG-CB 4.35Å; Y337-L349 HydrophobicContact CG-CD1 4.46Å
338K65.5Low68.2Low142 Ų14284.2 Ų84.262%0.61743%0.426SS*.EExtended strand (participates in β ladder)trans-85.6135.8176.9-61-173.9178.2175.70110.9A345K338-A345 HydrophobicContact CB-CB 4.42Å; K338-A345 HydrophobicContact CG-CB 3.74Å
339C74.8Confident68.2Low1 Ų184 Ų841%0.00743%0.429CS..  trans-80.3120.1165.9177.80000108.4E341 G343 K344 F346 L352 H359C339-E341 VanDerWaalsContact C-N 3.3Å; C339-E341 PolarHBondContact O-N 3.07Å; C339-G343 VanDerWaalsContact O-CA 3.23Å; C339-G343 WeakPolarHBondContact O-CA 3.34Å; C339-G343 PolarHBondContact O-N 3.16Å; C339-K344 VanDerWaalsContact CB-O 3.25Å; C339-K344 WeakPolarHBondContact CB-O 3.16Å; C339-K344 PolarHBondContact N-O 3.15Å; C339-F346 HydrophobicContact CB-CE2 4.26Å; C339-L352 HydrophobicContact CB-CD1 3.64Å; C339-H359 VanDerWaalsContact SG-CD2 3.51Å; C339-H359 PolarHBondContact SG-NE2 3.07Å
340L69.4Low68.2Low163 Ų16386.2 Ų86.285%0.85345%0.447SS*.THydrogen-bonded Turntrans-71.4-25.1-178.9-61.8174.5000112.5
341E72.4Confident68.6Low128 Ų12884.4 Ų84.460%0.59844%0.439SS*.THydrogen-bonded Turntrans-81-27.9-176.7-66.7166160.500113.9C339 H359C339-E341 VanDerWaalsContact C-N 3.3Å; C339-E341 PolarHBondContact O-N 3.07Å; E341-H359 WeakPolarHBondContact OE2-CB 3.44Å; E341-H359 IonicContact OE2-CD2 3Å; E341-H359 PolarHBondContact OE2-CD2 3.41Å; E341-H359 IonicContact OE2-CG 2.85Å
342C73.3Confident69Low52 Ų5281.5 Ų81.535%0.35143%0.426SS..THydrogen-bonded Turntrans-134.77.4-17871.90000114.5K344 H355 H359C342-K344 PolarHBondContact O-N 3.45Å; C342-K344 VanDerWaalsContact SG-CB 3.59Å; C342-H355 PolarHBondContact SG-NE2 3.28Å; C342-H359 VanDerWaalsContact CB-CE1 3.45Å; C342-H359 WeakPolarHBondContact CB-CE1 3.37Å; C342-H359 PolarHBondContact SG-CE1 3.44Å; C342-H359 PolarHBondContact SG-NE2 3.21Å
343G66.6Low69.5Low59 Ų5981.6 Ų81.661%0.60843%0.427SS*.  trans67-3-179.200000115.3C339 A345C339-G343 VanDerWaalsContact O-CA 3.23Å; C339-G343 WeakPolarHBondContact O-CA 3.34Å; C339-G343 PolarHBondContact O-N 3.16Å; G343-A345 PolarHBondContact O-N 3.31Å
344K69.9Low70Confident127 Ų12780.7 Ų80.755%0.55241%0.41SS*.  trans-68.2130.2-179.3-72-179.8-179.61730110.7C339 C342 F346C339-K344 VanDerWaalsContact CB-O 3.25Å; C339-K344 WeakPolarHBondContact CB-O 3.16Å; C339-K344 PolarHBondContact N-O 3.15Å; C342-K344 PolarHBondContact O-N 3.45Å; C342-K344 VanDerWaalsContact SG-CB 3.59Å; K344-F346 HydrophobicContact CB-CE2 3.86Å; K344-F346 HydrophobicContact CB-CZ 4Å; K344-F346 WeakPolarHBondContact O-CD2 3.19Å; K344-F346 VanDerWaalsContact O-CE2 3.29Å; K344-F346 WeakPolarHBondContact O-CE2 3.49Å
345A71.4Confident70.7Confident24 Ų2477 Ų7720%0.19839%0.393CS..EExtended strand (participates in β ladder)trans-113.1139.4-174.700000111.5K335 K338 G343K335-A345 HydrophobicContact CB-CB 3.29Å; K335-A345 HydrophobicContact CD-CB 3.58Å; K335-A345 WeakPolarHBondContact CD-O 3.24Å; K335-A345 HydrophobicContact CG-CB 4.07Å; K338-A345 HydrophobicContact CB-CB 4.42Å; K338-A345 HydrophobicContact CG-CB 3.74Å; G343-A345 PolarHBondContact O-N 3.31Å
346F74.1Confident71.2Confident42 Ų4276.3 Ų76.318%0.18439%0.39CS..EExtended strand (participates in β ladder)trans-123153.4-169.2-61.9-90000111.7Y337 C339 K344 L352 H355Y337-F346 PolarHBondContact N-O 3.49Å; Y337-F346 PolarHBondContact O-N 3.13Å; C339-F346 HydrophobicContact CB-CE2 4.26Å; K344-F346 HydrophobicContact CB-CE2 3.86Å; K344-F346 HydrophobicContact CB-CZ 4Å; K344-F346 WeakPolarHBondContact O-CD2 3.19Å; K344-F346 VanDerWaalsContact O-CE2 3.29Å; K344-F346 WeakPolarHBondContact O-CE2 3.49Å; F346-L352 HydrophobicContact CB-CB 4.2Å; F346-L352 HydrophobicContact CD2-CB 3.94Å; F346-L352 HydrophobicContact CD2-CD1 3.61Å; F346-L352 HydrophobicContact CD2-CG 4.37Å; F346-L352 HydrophobicContact CE2-CD1 3.85Å; F346-L352 HydrophobicContact CG-CB 4.18Å; F346-H355 HydrophobicContact CE1-CB 3.93Å; F346-H355 HydrophobicContact CE2-CB 3.94Å; F346-H355 AromaticContact CE2-CD2 3.27Å; F346-H355 WeakPolarHBondContact CE2-CD2 3.43Å; F346-H355 AromaticContact CE2-CG 3.58Å; F346-H355 AromaticContact CE2-NE2 3.87Å; F346-H355 HydrophobicContact CZ-CB 3.48Å; F346-H355 VanDerWaalsContact CZ-CB 3.48Å; F346-H355 AromaticContact CZ-CD2 3.31Å; F346-H355 WeakPolarHBondContact CZ-CD2 3.48Å; F346-H355 AromaticContact CZ-CE1 3.94Å; F346-H355 AromaticContact CZ-CG 3.13Å; F346-H355 AromaticContact CZ-ND1 3.57Å; F346-H355 AromaticContact CZ-NE2 3.78Å
347K68.1Low71.5Confident91 Ų9170.2 Ų70.240%0.39637%0.369SS..SBendtrans-83.7-18.8179.6-61.9178.4178.7176.30113I330I330-K347 HydrophobicContact CG1-CD 4.08Å
348Q71.6Confident71.7Confident81 Ų8170.7 Ų70.738%0.37938%0.376SS..SBendtrans-137.2141.6-178-66.8-179.3-10.600111.1T326 S350 T351 L352T326-Q348 HydrophobicContact CG2-CG 4.49Å; Q348-S350 VanDerWaalsContact C-N 3.34Å; Q348-S350 PolarHBondContact O-N 3.03Å; Q348-T351 HydrophobicContact CB-CG2 4.25Å; Q348-T351 PolarHBondContact O-N 3.26Å; Q348-T351 PolarHBondContact O-OG1 2.91Å; Q348-L352 PolarHBondContact O-N 3.19Å
349L71.7Confident71.8Confident95 Ų9567.3 Ų67.350%0.49736%0.363SS..Hα-helixtrans-59.5-42.9177.2-176.661.5000112Y337 T351 L352 T353Y337-L349 HydrophobicContact CD1-CB 4.06Å; Y337-L349 HydrophobicContact CD1-CD1 3.7Å; Y337-L349 HydrophobicContact CD1-CG 4.45Å; Y337-L349 HydrophobicContact CD2-CB 4.45Å; Y337-L349 HydrophobicContact CE1-CB 3.83Å; Y337-L349 HydrophobicContact CE1-CD1 3.9Å; Y337-L349 HydrophobicContact CE1-CG 4.3Å; Y337-L349 HydrophobicContact CE2-CB 4.22Å; Y337-L349 HydrophobicContact CG-CB 4.35Å; Y337-L349 HydrophobicContact CG-CD1 4.46Å; L349-T351 VanDerWaalsContact C-N 3.26Å; L349-T351 PolarHBondContact O-N 3.23Å; L349-L352 HydrophobicContact CD1-CD2 4.47Å; L349-L352 WeakPolarHBondContact O-CB 3.45Å; L349-L352 PolarHBondContact O-N 3.39Å; L349-L352 VanDerWaalsContact O-N 3.08Å; L349-T353 PolarHBondContact O-N 3.47Å; L349-T353 PolarHBondContact O-OG1 3.5Å
350S71.9Confident71.5Confident71 Ų7171.3 Ų71.350%0.49739%0.387SS..Hα-helixtrans-55.6-39.6177.156.30000112.9Q348 T353 T354Q348-S350 VanDerWaalsContact C-N 3.34Å; Q348-S350 PolarHBondContact O-N 3.03Å; S350-T353 PolarHBondContact O-N 3.19Å; S350-T354 WeakPolarHBondContact O-CG2 3.49Å; S350-T354 PolarHBondContact O-N 3.26Å
351T73.9Confident71.1Confident41 Ų4166.1 Ų66.125%0.25237%0.373SS..Hα-helixtrans-70.7-39.1177.658.60000112.3Q348 L349 T354 H355Q348-T351 HydrophobicContact CB-CG2 4.25Å; Q348-T351 PolarHBondContact O-N 3.26Å; Q348-T351 PolarHBondContact O-OG1 2.91Å; L349-T351 VanDerWaalsContact C-N 3.26Å; L349-T351 PolarHBondContact O-N 3.23Å; T351-T354 PolarHBondContact O-N 3.04Å; T351-T354 PolarHBondContact O-OG1 3.16Å; T351-H355 WeakPolarHBondContact O-CB 3.32Å; T351-H355 PolarHBondContact O-N 2.96Å
352L76Confident70.6Confident10 Ų1065.6 Ų65.65%0.05237%0.371CS..Hα-helixtrans-62.5-44.3172.1173.764.4000110.8C339 F346 Q348 L349 T354 H355 K356C339-L352 HydrophobicContact CB-CD1 3.64Å; F346-L352 HydrophobicContact CB-CB 4.2Å; F346-L352 HydrophobicContact CD2-CB 3.94Å; F346-L352 HydrophobicContact CD2-CD1 3.61Å; F346-L352 HydrophobicContact CD2-CG 4.37Å; F346-L352 HydrophobicContact CE2-CD1 3.85Å; F346-L352 HydrophobicContact CG-CB 4.18Å; Q348-L352 PolarHBondContact O-N 3.19Å; L349-L352 HydrophobicContact CD1-CD2 4.47Å; L349-L352 WeakPolarHBondContact O-CB 3.45Å; L349-L352 PolarHBondContact O-N 3.39Å; L349-L352 VanDerWaalsContact O-N 3.08Å; L352-T354 PolarHBondContact O-N 3.5Å; L352-H355 CarbonylContact O-C 3.2Å; L352-H355 WeakPolarHBondContact O-CA 3.22Å; L352-H355 WeakPolarHBondContact O-CB 3.44Å; L352-H355 PolarHBondContact O-N 3.44Å; L352-K356 HydrophobicContact CD1-CG 4.21Å; L352-K356 HydrophobicContact CG-CG 4.45Å; L352-K356 WeakPolarHBondContact O-CG 3.41Å; L352-K356 PolarHBondContact O-N 3.36Å
353T74.1Confident70.2Confident78 Ų7869.1 Ų69.148%0.47938%0.38SS..Hα-helixtrans-58.9-46.3176.5-51.50000111L349 S350 H355 K356 I357L349-T353 PolarHBondContact O-N 3.47Å; L349-T353 PolarHBondContact O-OG1 3.5Å; S350-T353 PolarHBondContact O-N 3.19Å; T353-H355 PolarHBondContact O-N 3.08Å; T353-K356 PolarHBondContact O-N 3.12Å; T353-I357 WeakPolarHBondContact O-CG1 3.28Å
354T71.5Confident70.2Confident36 Ų3670.9 Ų70.922%0.22138%0.375CS..Hα-helixtrans-66.2-26.1175.462.10000113.7S350 T351 L352 R376S350-T354 WeakPolarHBondContact O-CG2 3.49Å; S350-T354 PolarHBondContact O-N 3.26Å; T351-T354 PolarHBondContact O-N 3.04Å; T351-T354 PolarHBondContact O-OG1 3.16Å; L352-T354 PolarHBondContact O-N 3.5Å; T354-R376 PolarHBondContact OG1-NH2 2.97Å; T354-R376 VanDerWaalsContact OG1-NH2 3.12Å
355H77.1Confident70.3Confident15 Ų1569.3 Ų69.37%0.06937%0.366CS..Hα-helixtrans-78.1-38.2177.8171.770.6000112.1C342 F346 T351 L352 T353 I357 I358 H359C342-H355 PolarHBondContact SG-NE2 3.28Å; F346-H355 HydrophobicContact CE1-CB 3.93Å; F346-H355 HydrophobicContact CE2-CB 3.94Å; F346-H355 AromaticContact CE2-CD2 3.27Å; F346-H355 WeakPolarHBondContact CE2-CD2 3.43Å; F346-H355 AromaticContact CE2-CG 3.58Å; F346-H355 AromaticContact CE2-NE2 3.87Å; F346-H355 HydrophobicContact CZ-CB 3.48Å; F346-H355 VanDerWaalsContact CZ-CB 3.48Å; F346-H355 AromaticContact CZ-CD2 3.31Å; F346-H355 WeakPolarHBondContact CZ-CD2 3.48Å; F346-H355 AromaticContact CZ-CE1 3.94Å; F346-H355 AromaticContact CZ-CG 3.13Å; F346-H355 AromaticContact CZ-ND1 3.57Å; F346-H355 AromaticContact CZ-NE2 3.78Å; T351-H355 WeakPolarHBondContact O-CB 3.32Å; T351-H355 PolarHBondContact O-N 2.96Å; L352-H355 CarbonylContact O-C 3.2Å; L352-H355 WeakPolarHBondContact O-CA 3.22Å; L352-H355 WeakPolarHBondContact O-CB 3.44Å; L352-H355 PolarHBondContact O-N 3.44Å; T353-H355 PolarHBondContact O-N 3.08Å; H355-I357 PolarHBondContact O-N 2.91Å; H355-I358 WeakPolarHBondContact O-CB 3.45Å; H355-I358 WeakPolarHBondContact O-CG1 3.35Å; H355-I358 PolarHBondContact O-N 3.12Å; H355-H359 AromaticContact CD2-NE2 3.74Å; H355-H359 AromaticContact CE1-NE2 3.55Å; H355-H359 AromaticContact NE2-CD2 3.93Å; H355-H359 AromaticContact NE2-CE1 3.85Å; H355-H359 AromaticContact NE2-NE2 3.01Å; H355-H359 PolarHBondContact NE2-NE2 3.07Å
356K71Confident70.5Confident97 Ų9774.6 Ų74.642%0.42239%0.385SS..Hα-helixtrans-57.9-32.1175.6-74.8-173.4173.5-167.40112.5L352 T353 I358 H359 V360L352-K356 HydrophobicContact CD1-CG 4.21Å; L352-K356 HydrophobicContact CG-CG 4.45Å; L352-K356 WeakPolarHBondContact O-CG 3.41Å; L352-K356 PolarHBondContact O-N 3.36Å; T353-K356 PolarHBondContact O-N 3.12Å; K356-I358 PolarHBondContact O-N 3.01Å; K356-I358 VanDerWaalsContact O-N 3.11Å; K356-H359 PolarHBondContact O-N 3.11Å; K356-V360 PolarHBondContact O-N 3.21Å
357I71.9Confident70.9Confident34 Ų3472.7 Ų72.717%0.17438%0.377CS..Hα-helixtrans-58.3-25.5173.7-59.2168.5000112.1T353 H355 G361 E362 L364 N375T353-I357 WeakPolarHBondContact O-CG1 3.28Å; H355-I357 PolarHBondContact O-N 2.91Å; I357-G361 PolarHBondContact O-N 3.41Å; I357-E362 WeakPolarHBondContact CG2-O 3.36Å; I357-L364 HydrophobicContact CD1-CD1 3.94Å; I357-L364 HydrophobicContact CG1-CD1 4.34Å; I357-L364 HydrophobicContact CG2-CD1 4.28Å; I357-L364 HydrophobicContact CG2-CG 4.46Å; I357-N375 HydrophobicContact CG2-CB 4.16Å
358I69.4Low71.4Confident97 Ų9776.4 Ų76.450%0.49740%0.395SS..Hα-helixtrans-70.9-37177.8-56.5175000111.2H355 K356 G361H355-I358 WeakPolarHBondContact O-CB 3.45Å; H355-I358 WeakPolarHBondContact O-CG1 3.35Å; H355-I358 PolarHBondContact O-N 3.12Å; K356-I358 PolarHBondContact O-N 3.01Å; K356-I358 VanDerWaalsContact O-N 3.11Å; I358-G361 PolarHBondContact O-N 2.67Å
359H68.1Low71.8Confident71 Ų7178.5 Ų78.533%0.32941%0.405SS..Hα-helixtrans-75.8-36.4-178.9-62.7-52.3000112.5C339 E341 C342 H355 K356 G361C339-H359 VanDerWaalsContact SG-CD2 3.51Å; C339-H359 PolarHBondContact SG-NE2 3.07Å; E341-H359 WeakPolarHBondContact OE2-CB 3.44Å; E341-H359 IonicContact OE2-CD2 3Å; E341-H359 PolarHBondContact OE2-CD2 3.41Å; E341-H359 IonicContact OE2-CG 2.85Å; C342-H359 VanDerWaalsContact CB-CE1 3.45Å; C342-H359 WeakPolarHBondContact CB-CE1 3.37Å; C342-H359 PolarHBondContact SG-CE1 3.44Å; C342-H359 PolarHBondContact SG-NE2 3.21Å; H355-H359 AromaticContact CD2-NE2 3.74Å; H355-H359 AromaticContact CE1-NE2 3.55Å; H355-H359 AromaticContact NE2-CD2 3.93Å; H355-H359 AromaticContact NE2-CE1 3.85Å; H355-H359 AromaticContact NE2-NE2 3.01Å; H355-H359 PolarHBondContact NE2-NE2 3.07Å; K356-H359 PolarHBondContact O-N 3.11Å; H359-G361 PolarHBondContact O-N 3.24Å
360V67.4Low72.2Confident86 Ų8676.5 Ų76.552%0.52140%0.398SS..Hα-helixtrans-68.5-18.8175.8-174.80000111.3K356 E362K356-V360 PolarHBondContact O-N 3.21Å; V360-E362 HydrophobicContact CB-CB 4.49Å; V360-E362 HydrophobicContact CG1-CB 3.93Å; V360-E362 HydrophobicContact CG1-CG 3.72Å; V360-E362 PolarHBondContact O-N 3.2Å
361G62.4Low72.5Confident54 Ų5475.9 Ų75.956%0.55740%0.403SS*.  trans67.8-4.9-177.500000114.1I357 I358 H359 K363I357-G361 PolarHBondContact O-N 3.41Å; I358-G361 PolarHBondContact O-N 2.67Å; H359-G361 PolarHBondContact O-N 3.24Å; G361-K363 PolarHBondContact O-N 3.42Å
362E61Low72.6Confident117 Ų11780.1 Ų80.155%0.54742%0.418SS..  trans-65.799.2175.4-84.7-178-173.800110.6I357 V360 L364I357-E362 WeakPolarHBondContact CG2-O 3.36Å; V360-E362 HydrophobicContact CB-CB 4.49Å; V360-E362 HydrophobicContact CG1-CB 3.93Å; V360-E362 HydrophobicContact CG1-CG 3.72Å; V360-E362 PolarHBondContact O-N 3.2Å; E362-L364 VanDerWaalsContact C-N 3.26Å; E362-L364 HydrophobicContact CB-CD2 4.3Å; E362-L364 PolarHBondContact O-N 3.08Å
363K64.6Low72.6Confident125 Ų12580.2 Ų80.254%0.54342%0.421SS..  trans-7683.5165.5-72.3164167.5178.50109G361 Y365 G373G361-K363 PolarHBondContact O-N 3.42Å; K363-Y365 PolarHBondContact O-N 3.2Å; K363-Y365 VanDerWaalsContact O-N 3.13Å; K363-G373 VanDerWaalsContact CD-O 3.26Å; K363-G373 WeakPolarHBondContact CD-O 3.48Å; K363-G373 VanDerWaalsContact CE-O 3.32Å; K363-G373 WeakPolarHBondContact CE-O 3.47Å; K363-G373 WeakPolarHBondContact CG-O 3.46Å
364L67.4Low72.8Confident96 Ų9678.5 Ų78.550%0.50341%0.407SS..  trans-57.5-25.6-177.2-64.6172.8000113.8I357 E362I357-L364 HydrophobicContact CD1-CD1 3.94Å; I357-L364 HydrophobicContact CG1-CD1 4.34Å; I357-L364 HydrophobicContact CG2-CD1 4.28Å; I357-L364 HydrophobicContact CG2-CG 4.46Å; E362-L364 VanDerWaalsContact C-N 3.26Å; E362-L364 HydrophobicContact CB-CD2 4.3Å; E362-L364 PolarHBondContact O-N 3.08Å
365Y71.9Confident72.8Confident94 Ų9479.4 Ų79.437%0.36941%0.411SS..EExtended strand (participates in β ladder)trans-116.393.5-176.7-58.1-79.1000110.1K363 G373 F374K363-Y365 PolarHBondContact O-N 3.2Å; K363-Y365 VanDerWaalsContact O-N 3.13Å; Y365-G373 CarbonylContact O-C 3.3Å; Y365-G373 WeakPolarHBondContact O-CA 3.5Å; Y365-F374 PolarHBondContact N-O 3.42Å; Y365-F374 VanDerWaalsContact N-O 3.13Å; Y365-F374 PolarHBondContact O-N 2.77Å
366K75.8Confident72.7Confident136 Ų13683.9 Ų83.959%0.59143%0.427SS*.EExtended strand (participates in β ladder)trans-89.1142.5178.9-63-179.2-176175.40111.5L380K366-L380 WeakPolarHBondContact O-CD2 3.34Å
367C82.2Confident72.9Confident2 Ų282.1 Ų82.11%0.01443%0.427CS..  trans-83.9118167.6-171.40000108.5E369 G371 K372 F374 L380 H387C367-E369 PolarHBondContact O-N 3.37Å; C367-G371 WeakPolarHBondContact O-CA 3.45Å; C367-G371 PolarHBondContact O-N 3.19Å; C367-K372 WeakPolarHBondContact CB-O 3.39Å; C367-K372 PolarHBondContact N-O 3.15Å; C367-F374 HydrophobicContact CB-CE2 4.36Å; C367-L380 HydrophobicContact CB-CD1 3.69Å; C367-H387 PolarHBondContact SG-NE2 2.93Å
368E79.1Confident73Confident168 Ų16883.5 Ų83.579%0.78544%0.44SS*.THydrogen-bonded Turntrans-63.4-28178.4-60.8-56.2138.500112.3
369E79.7Confident73.5Confident126 Ų12681.8 Ų81.859%0.58943%0.432SS*.THydrogen-bonded Turntrans-82.9-25.7-174.8-64.7-178.1-133.700114.5C367 H387C367-E369 PolarHBondContact O-N 3.37Å; E369-H387 WeakPolarHBondContact OE2-CB 3.43Å; E369-H387 IonicContact OE2-CG 3.22Å; E369-H387 IonicContact OE2-ND1 3.15Å; E369-H387 PolarHBondContact OE2-ND1 3.43Å
370C80.4Confident74.1Confident53 Ų5379.4 Ų79.436%0.35842%0.421SS..THydrogen-bonded Turntrans-135.47.1179.667.60000114.9K372 H383 H387C370-K372 PolarHBondContact O-N 2.95Å; C370-H383 PolarHBondContact SG-NE2 3.37Å; C370-H387 PolarHBondContact SG-NE2 3.16Å
371G77.4Confident74.5Confident57 Ų5779.9 Ų79.959%0.58842%0.424SS*.  trans65.8-0.9-178.800000115C367 G373C367-G371 WeakPolarHBondContact O-CA 3.45Å; C367-G371 PolarHBondContact O-N 3.19Å; G371-G373 PolarHBondContact O-N 2.92Å
372K76.8Confident75.2Confident130 Ų13080.3 Ų80.357%0.56542%0.416SS*.  trans-68.2123.9179.9-75.4-178.8-179.9171.60110.1C367 C370 F374C367-K372 WeakPolarHBondContact CB-O 3.39Å; C367-K372 PolarHBondContact N-O 3.15Å; C370-K372 PolarHBondContact O-N 2.95Å; K372-F374 HydrophobicContact CB-CE2 4.04Å; K372-F374 HydrophobicContact CB-CZ 4.18Å; K372-F374 WeakPolarHBondContact O-CD2 3.42Å; K372-F374 VanDerWaalsContact O-CE2 3.26Å; K372-F374 WeakPolarHBondContact O-CE2 3.45Å
373G76.6Confident76.2Confident12 Ų1275.7 Ų75.712%0.12439%0.394CS..EExtended strand (participates in β ladder)trans-101.9145.817800000114.1K363 Y365 G371K363-G373 VanDerWaalsContact CD-O 3.26Å; K363-G373 WeakPolarHBondContact CD-O 3.48Å; K363-G373 VanDerWaalsContact CE-O 3.32Å; K363-G373 WeakPolarHBondContact CE-O 3.47Å; K363-G373 WeakPolarHBondContact CG-O 3.46Å; Y365-G373 CarbonylContact O-C 3.3Å; Y365-G373 WeakPolarHBondContact O-CA 3.5Å; G371-G373 PolarHBondContact O-N 2.92Å
374F77.4Confident77Confident43 Ų4374.3 Ų74.319%0.18939%0.389CS..EExtended strand (participates in β ladder)trans-125152.8-174.7-59-90000110.9Y365 C367 K372 N379 L380 H383Y365-F374 PolarHBondContact N-O 3.42Å; Y365-F374 VanDerWaalsContact N-O 3.13Å; Y365-F374 PolarHBondContact O-N 2.77Å; C367-F374 HydrophobicContact CB-CE2 4.36Å; K372-F374 HydrophobicContact CB-CE2 4.04Å; K372-F374 HydrophobicContact CB-CZ 4.18Å; K372-F374 WeakPolarHBondContact O-CD2 3.42Å; K372-F374 VanDerWaalsContact O-CE2 3.26Å; K372-F374 WeakPolarHBondContact O-CE2 3.45Å; F374-N379 HydrophobicContact CB-CB 4.32Å; F374-N379 HydrophobicContact CD1-CB 3.96Å; F374-N379 HydrophobicContact CG-CB 4.4Å; F374-L380 HydrophobicContact CB-CB 4.38Å; F374-L380 HydrophobicContact CD2-CB 3.93Å; F374-L380 HydrophobicContact CD2-CD1 3.74Å; F374-L380 HydrophobicContact CD2-CG 4.44Å; F374-L380 HydrophobicContact CE2-CD1 3.89Å; F374-L380 HydrophobicContact CG-CB 4.31Å; F374-H383 HydrophobicContact CE1-CB 3.98Å; F374-H383 HydrophobicContact CE2-CB 3.9Å; F374-H383 AromaticContact CE2-CD2 3.34Å; F374-H383 WeakPolarHBondContact CE2-CD2 3.31Å; F374-H383 AromaticContact CE2-CG 3.62Å; F374-H383 AromaticContact CE2-NE2 3.98Å; F374-H383 HydrophobicContact CZ-CB 3.45Å; F374-H383 VanDerWaalsContact CZ-CB 3.45Å; F374-H383 AromaticContact CZ-CD2 3.39Å; F374-H383 WeakPolarHBondContact CZ-CD2 3.29Å; F374-H383 AromaticContact CZ-CG 3.19Å; F374-H383 AromaticContact CZ-ND1 3.66Å; F374-H383 AromaticContact CZ-NE2 3.89Å
375N71.9Confident77.5Confident54 Ų5471.8 Ų71.829%0.28938%0.375SS..SBendtrans-88-7.5177.960.85.1000113.8I357I357-N375 HydrophobicContact CG2-CB 4.16Å
376R73.4Confident77.9Confident109 Ų10970 Ų7041%0.41137%0.371SS..SBendtrans-139.8136.6179.6-67.3-177.9178.7-179.8-1.4110.1T354 S378 N379 L380T354-R376 PolarHBondContact OG1-NH2 2.97Å; T354-R376 VanDerWaalsContact OG1-NH2 3.12Å; R376-S378 VanDerWaalsContact C-N 3.28Å; R376-S378 PolarHBondContact O-N 3.06Å; R376-N379 HydrophobicContact CB-CB 4.43Å; R376-N379 WeakPolarHBondContact O-CB 3.47Å; R376-N379 PolarHBondContact O-N 3.48Å; R376-N379 VanDerWaalsContact O-N 3.1Å; R376-L380 PolarHBondContact O-N 3.29Å
377S75.3Confident78Confident61 Ų6166.6 Ų66.643%0.42736%0.358SS..Hα-helixtrans-58-40.5176.257.20000112.2N379 L380 T381S377-N379 PolarHBondContact O-N 2.92Å; S377-L380 WeakPolarHBondContact O-CB 3.37Å; S377-L380 PolarHBondContact O-N 3.26Å; S377-L380 VanDerWaalsContact O-N 3.11Å; S377-T381 PolarHBondContact O-N 2.94Å; S377-T381 PolarHBondContact O-OG1 3.4Å; S377-T381 VanDerWaalsContact O-OG1 3.07Å
378S75.8Confident77.7Confident63 Ų6370.3 Ų70.344%0.44138%0.38SS..Hα-helixtrans-57-35.117761.20000113.2R376 T382R376-S378 VanDerWaalsContact C-N 3.28Å; R376-S378 PolarHBondContact O-N 3.06Å; S378-T382 WeakPolarHBondContact O-CG2 3.24Å; S378-T382 PolarHBondContact O-N 3.37Å; S378-T382 VanDerWaalsContact O-N 3.08Å; S378-T382 PolarHBondContact O-OG1 3.41Å
379N78.8Confident77.4Confident61 Ų6164.4 Ų64.433%0.32636%0.364SS..Hα-helixtrans-77-34.8-179.9-65.7-4.1000111.3F374 R376 S377 T382 H383F374-N379 HydrophobicContact CB-CB 4.32Å; F374-N379 HydrophobicContact CD1-CB 3.96Å; F374-N379 HydrophobicContact CG-CB 4.4Å; R376-N379 HydrophobicContact CB-CB 4.43Å; R376-N379 WeakPolarHBondContact O-CB 3.47Å; R376-N379 PolarHBondContact O-N 3.48Å; R376-N379 VanDerWaalsContact O-N 3.1Å; S377-N379 PolarHBondContact O-N 2.92Å; N379-T382 WeakPolarHBondContact CA-OG1 3.5Å; N379-T382 PolarHBondContact O-OG1 3.41Å; N379-H383 WeakPolarHBondContact O-CB 3.45Å; N379-H383 PolarHBondContact O-N 3.31Å
380L80.3Confident77.3Confident21 Ų2164.2 Ų64.211%0.1136%0.363CS..Hα-helixtrans-64.3-44.3170.617563.1000110.4K366 C367 F374 R376 S377 T382 H383 K384K366-L380 WeakPolarHBondContact O-CD2 3.34Å; C367-L380 HydrophobicContact CB-CD1 3.69Å; F374-L380 HydrophobicContact CB-CB 4.38Å; F374-L380 HydrophobicContact CD2-CB 3.93Å; F374-L380 HydrophobicContact CD2-CD1 3.74Å; F374-L380 HydrophobicContact CD2-CG 4.44Å; F374-L380 HydrophobicContact CE2-CD1 3.89Å; F374-L380 HydrophobicContact CG-CB 4.31Å; R376-L380 PolarHBondContact O-N 3.29Å; S377-L380 WeakPolarHBondContact O-CB 3.37Å; S377-L380 PolarHBondContact O-N 3.26Å; S377-L380 VanDerWaalsContact O-N 3.11Å; L380-T382 PolarHBondContact O-N 2.93Å; L380-H383 WeakPolarHBondContact O-CB 3.28Å; L380-H383 PolarHBondContact O-N 2.91Å; L380-H383 VanDerWaalsContact O-N 3.16Å; L380-K384 HydrophobicContact CD1-CG 4.42Å; L380-K384 WeakPolarHBondContact O-CG 3.45Å; L380-K384 PolarHBondContact O-N 3.07Å
381T77Confident77.3Confident95 Ų9567 Ų6758%0.58337%0.369SS*.Hα-helixtrans-59.7-44.6177.6-52.30000111.8S377 H383 K384S377-T381 PolarHBondContact O-N 2.94Å; S377-T381 PolarHBondContact O-OG1 3.4Å; S377-T381 VanDerWaalsContact O-OG1 3.07Å; T381-H383 VanDerWaalsContact C-N 3.32Å; T381-H383 PolarHBondContact O-N 3.4Å; T381-K384 PolarHBondContact O-N 2.93Å
382T77.8Confident77.5Confident64 Ų6468 Ų6839%0.39337%0.365SS..Hα-helixtrans-69.8-30.3176.4550000112.9S378 N379 L380 I385S378-T382 WeakPolarHBondContact O-CG2 3.24Å; S378-T382 PolarHBondContact O-N 3.37Å; S378-T382 VanDerWaalsContact O-N 3.08Å; S378-T382 PolarHBondContact O-OG1 3.41Å; N379-T382 WeakPolarHBondContact CA-OG1 3.5Å; N379-T382 PolarHBondContact O-OG1 3.41Å; L380-T382 PolarHBondContact O-N 2.93Å; T382-I385 WeakPolarHBondContact O-CB 3.26Å; T382-I385 PolarHBondContact O-N 3.24Å
383H81.4Confident77.8Confident19 Ų1966.4 Ų66.49%0.08836%0.356CS..Hα-helixtrans-68.6-38.2175171.966.8000112.7C370 F374 N379 L380 T381 I385 I386 H387C370-H383 PolarHBondContact SG-NE2 3.37Å; F374-H383 HydrophobicContact CE1-CB 3.98Å; F374-H383 HydrophobicContact CE2-CB 3.9Å; F374-H383 AromaticContact CE2-CD2 3.34Å; F374-H383 WeakPolarHBondContact CE2-CD2 3.31Å; F374-H383 AromaticContact CE2-CG 3.62Å; F374-H383 AromaticContact CE2-NE2 3.98Å; F374-H383 HydrophobicContact CZ-CB 3.45Å; F374-H383 VanDerWaalsContact CZ-CB 3.45Å; F374-H383 AromaticContact CZ-CD2 3.39Å; F374-H383 WeakPolarHBondContact CZ-CD2 3.29Å; F374-H383 AromaticContact CZ-CG 3.19Å; F374-H383 AromaticContact CZ-ND1 3.66Å; F374-H383 AromaticContact CZ-NE2 3.89Å; N379-H383 WeakPolarHBondContact O-CB 3.45Å; N379-H383 PolarHBondContact O-N 3.31Å; L380-H383 WeakPolarHBondContact O-CB 3.28Å; L380-H383 PolarHBondContact O-N 2.91Å; L380-H383 VanDerWaalsContact O-N 3.16Å; T381-H383 VanDerWaalsContact C-N 3.32Å; T381-H383 PolarHBondContact O-N 3.4Å; H383-I385 PolarHBondContact O-N 3.36Å; H383-I385 VanDerWaalsContact O-N 3.12Å; H383-I386 VanDerWaalsContact O-CB 3.26Å; H383-I386 WeakPolarHBondContact O-CB 3.02Å; H383-I386 WeakPolarHBondContact O-CG1 3.49Å; H383-I386 PolarHBondContact O-N 3.26Å; H383-H387 AromaticContact CE1-NE2 3.7Å; H383-H387 AromaticContact NE2-CD2 3.83Å; H383-H387 AromaticContact NE2-NE2 3.26Å; H383-H387 PolarHBondContact NE2-NE2 3.02Å
384K80.1Confident78.1Confident97 Ų9772.2 Ų72.242%0.42238%0.378SS..Hα-helixtrans-57-27176.8-75.3-173.4175.8-164.40113.2L380 T381 I386 H387 T388L380-K384 HydrophobicContact CD1-CG 4.42Å; L380-K384 WeakPolarHBondContact O-CG 3.45Å; L380-K384 PolarHBondContact O-N 3.07Å; T381-K384 PolarHBondContact O-N 2.93Å; K384-I386 PolarHBondContact O-N 3.47Å; K384-H387 WeakPolarHBondContact O-CB 3.08Å; K384-H387 PolarHBondContact O-N 3.14Å; K384-T388 PolarHBondContact O-N 3.29Å
385I79.5Confident78.6Confident43 Ų4370.2 Ų70.222%0.22137%0.369CS..Hα-helixtrans-63.1-26.4175.7-47176.1000111.7T382 H383 H387 T388 G389 E390 I403T382-I385 WeakPolarHBondContact O-CB 3.26Å; T382-I385 PolarHBondContact O-N 3.24Å; H383-I385 PolarHBondContact O-N 3.36Å; H383-I385 VanDerWaalsContact O-N 3.12Å; I385-H387 VanDerWaalsContact C-N 3.28Å; I385-H387 PolarHBondContact O-N 3.31Å; I385-T388 PolarHBondContact O-OG1 3.13Å; I385-G389 PolarHBondContact O-N 2.77Å; I385-E390 HydrophobicContact CG2-CB 4.16Å; I385-E390 WeakPolarHBondContact CG2-O 3.4Å; I385-I403 HydrophobicContact CB-CG2 4.06Å; I385-I403 HydrophobicContact CG2-CG2 3.71Å
386I78.7Confident79.3Confident56 Ų5675.6 Ų75.629%0.28739%0.393SS..Hα-helixtrans-67.1-35.2175.9-58.6174.5000110.6H383 K384 I403 W404H383-I386 VanDerWaalsContact O-CB 3.26Å; H383-I386 WeakPolarHBondContact O-CB 3.02Å; H383-I386 WeakPolarHBondContact O-CG1 3.49Å; H383-I386 PolarHBondContact O-N 3.26Å; K384-I386 PolarHBondContact O-N 3.47Å; I386-I403 HydrophobicContact CG1-CD1 4.39Å; I386-W404 HydrophobicContact CD1-CZ2 4.47Å
387H77.9Confident79.8Confident65 Ų6576.3 Ų76.330%0.30140%0.401SS..Hα-helixtrans-76.5-41.6-179.4-73.6-65.8000113C367 E369 C370 H383 K384 I385 G389C367-H387 PolarHBondContact SG-NE2 2.93Å; E369-H387 WeakPolarHBondContact OE2-CB 3.43Å; E369-H387 IonicContact OE2-CG 3.22Å; E369-H387 IonicContact OE2-ND1 3.15Å; E369-H387 PolarHBondContact OE2-ND1 3.43Å; C370-H387 PolarHBondContact SG-NE2 3.16Å; H383-H387 AromaticContact CE1-NE2 3.7Å; H383-H387 AromaticContact NE2-CD2 3.83Å; H383-H387 AromaticContact NE2-NE2 3.26Å; H383-H387 PolarHBondContact NE2-NE2 3.02Å; K384-H387 WeakPolarHBondContact O-CB 3.08Å; K384-H387 PolarHBondContact O-N 3.14Å; I385-H387 VanDerWaalsContact C-N 3.28Å; I385-H387 PolarHBondContact O-N 3.31Å; H387-G389 PolarHBondContact O-N 3.44Å
388T76.6Confident80.2Confident80 Ų8075.9 Ų75.949%0.49140%0.398SS..Hα-helixtrans-69.9-15177.261.90000112.6K384 I385 E390K384-T388 PolarHBondContact O-N 3.29Å; I385-T388 PolarHBondContact O-OG1 3.13Å; T388-E390 PolarHBondContact O-N 3.1Å
389G73.8Confident80.5Confident43 Ų4375.8 Ų75.844%0.44341%0.406SS..  trans66.43.8-176.500000113.5I385 H387 K391I385-G389 PolarHBondContact O-N 2.77Å; H387-G389 PolarHBondContact O-N 3.44Å; G389-K391 PolarHBondContact O-N 3.13Å
390E75.9Confident80.7Confident122 Ų12279 Ų7957%0.5742%0.417SS*.  trans-60.5129178.8-73.3-176.5174.600109.4I385 T388 P392I385-E390 HydrophobicContact CG2-CB 4.16Å; I385-E390 WeakPolarHBondContact CG2-O 3.4Å; T388-E390 PolarHBondContact O-N 3.1Å; E390-P392 WeakPolarHBondContact O-CD 3.39Å
391K81.5Confident80.9Confident113 Ų11379.4 Ų79.449%0.49142%0.423SS..  trans-120.679.3177.4-72.4166.3178178.80108.6G389 Y393 A401 F402 I403G389-K391 PolarHBondContact O-N 3.13Å; K391-Y393 PolarHBondContact O-N 3.35Å; K391-Y393 VanDerWaalsContact O-N 3.13Å; K391-A401 HydrophobicContact CB-CB 3.42Å; K391-A401 VanDerWaalsContact CB-CB 3.42Å; K391-A401 HydrophobicContact CD-CB 4.04Å; K391-A401 WeakPolarHBondContact CD-O 3.21Å; K391-A401 HydrophobicContact CG-CB 4.32Å; K391-F402 CarbonylContact C-O 3.57Å; K391-F402 VanDerWaalsContact C-O 3.26Å; K391-F402 WeakPolarHBondContact CA-O 3.34Å; K391-I403 HydrophobicContact CG-CG1 3.93Å
392P80.5Confident81.2Confident77 Ų7776.9 Ų76.950%0.540%0.404SS..  trans-65.2-20.4-171.6-20.633.3000113.3E390E390-P392 WeakPolarHBondContact O-CD 3.39Å
393Y82.8Confident81.2Confident96 Ų9675.7 Ų75.738%0.37640%0.395SS..EExtended strand (participates in β ladder)trans-104.294.3-171-56.7-79.2000110.5K391 A401 F402 I403K391-Y393 PolarHBondContact O-N 3.35Å; K391-Y393 VanDerWaalsContact O-N 3.13Å; Y393-A401 CarbonylContact O-C 3.6Å; Y393-A401 WeakPolarHBondContact O-CA 3.5Å; Y393-F402 WeakPolarHBondContact CB-O 3.48Å; Y393-F402 PolarHBondContact N-O 3.27Å; Y393-F402 PolarHBondContact O-N 2.84Å; Y393-I403 VanDerWaalsContact CD2-O 3.3Å; Y393-I403 WeakPolarHBondContact CD2-O 3.33Å; Y393-I403 VanDerWaalsContact CE2-O 3.23Å; Y393-I403 WeakPolarHBondContact CE2-O 3.41Å
394K83.8Confident81.1Confident134 Ų13480.4 Ų80.458%0.58341%0.412SS*.EExtended strand (participates in β ladder)trans-88.9143.8178.5-65.3-176.5180179.40112A401 L408K394-A401 HydrophobicContact CG-CB 3.82Å; K394-L408 WeakPolarHBondContact O-CD2 3.27Å
395C88.5Confident81.1Confident1 Ų178.8 Ų78.81%0.00741%0.413CS..  trans-92115.3170.5178.80000109.1E397 C398 G399 K400 F402 L408 H415C395-E397 VanDerWaalsContact C-N 3.26Å; C395-E397 PolarHBondContact O-N 3.04Å; C395-C398 PolarHBondContact O-N 3.31Å; C395-G399 VanDerWaalsContact O-CA 3.24Å; C395-G399 WeakPolarHBondContact O-CA 3.26Å; C395-G399 PolarHBondContact O-N 2.9Å; C395-K400 VanDerWaalsContact CB-O 3.31Å; C395-K400 WeakPolarHBondContact CB-O 3.49Å; C395-K400 PolarHBondContact N-O 2.96Å; C395-F402 HydrophobicContact CB-CE2 4.3Å; C395-L408 HydrophobicContact CB-CD1 3.57Å; C395-H415 PolarHBondContact SG-NE2 2.86Å; C395-H415 VanDerWaalsContact SG-NE2 3.4Å
396E85.8Confident81.2Confident167 Ų16779.7 Ų79.778%0.7842%0.423SS*.THydrogen-bonded Turntrans-63.3-29.9-179.6-57.4-53.3138.700113.2
397E83.9Confident81.4Confident125 Ų12579.1 Ų79.158%0.58442%0.422SS*.THydrogen-bonded Turntrans-77.4-26.5-175.9-68.5167.6152.600113.9C395 H415C395-E397 VanDerWaalsContact C-N 3.26Å; C395-E397 PolarHBondContact O-N 3.04Å; E397-H415 WeakPolarHBondContact OE2-CB 3.5Å; E397-H415 IonicContact OE2-CD2 3.09Å; E397-H415 PolarHBondContact OE2-CD2 3.44Å; E397-H415 IonicContact OE2-CG 3.63Å
398C84Confident81.7Confident52 Ų5277 Ų7735%0.35141%0.413SS..THydrogen-bonded Turntrans-137.26.4-176.371.90000114.7C395 K400 H411 H415C395-C398 PolarHBondContact O-N 3.31Å; C398-K400 PolarHBondContact O-N 3.38Å; C398-H411 PolarHBondContact SG-NE2 3.02Å; C398-H415 PolarHBondContact SG-NE2 2.81Å; C398-H415 VanDerWaalsContact SG-NE2 3.35Å
399G82.1Confident82.1Confident60 Ų6077.4 Ų77.462%0.61942%0.416SS*.  trans68.5-4-179.400000115.5C395 A401C395-G399 VanDerWaalsContact O-CA 3.24Å; C395-G399 WeakPolarHBondContact O-CA 3.26Å; C395-G399 PolarHBondContact O-N 2.9Å; G399-A401 PolarHBondContact O-N 3.37Å
400K82.2Confident82.5Confident130 Ų13081.4 Ų81.457%0.56542%0.421SS*.  trans-67.9130.4-177.7-72.4-177.9179.9177.30111.3C395 C398 F402C395-K400 VanDerWaalsContact CB-O 3.31Å; C395-K400 WeakPolarHBondContact CB-O 3.49Å; C395-K400 PolarHBondContact N-O 2.96Å; C398-K400 PolarHBondContact O-N 3.38Å; K400-F402 HydrophobicContact CB-CE2 3.98Å; K400-F402 HydrophobicContact CB-CZ 4.04Å; K400-F402 WeakPolarHBondContact O-CE2 3.4Å
401A84.7Confident83Confident28 Ų2876.5 Ų76.523%0.23140%0.398CS..EExtended strand (participates in β ladder)trans-103.7143.6-179.600000111.7K391 Y393 K394 G399K391-A401 HydrophobicContact CB-CB 3.42Å; K391-A401 VanDerWaalsContact CB-CB 3.42Å; K391-A401 HydrophobicContact CD-CB 4.04Å; K391-A401 WeakPolarHBondContact CD-O 3.21Å; K391-A401 HydrophobicContact CG-CB 4.32Å; Y393-A401 CarbonylContact O-C 3.6Å; Y393-A401 WeakPolarHBondContact O-CA 3.5Å; K394-A401 HydrophobicContact CG-CB 3.82Å; G399-A401 PolarHBondContact O-N 3.37Å
402F83.1Confident83Confident42 Ų4275.9 Ų75.918%0.18440%0.395CS..EExtended strand (participates in β ladder)trans-128.5151.2-178.1-57.9-87.4000111.3K391 Y393 C395 K400 L408 H411K391-F402 CarbonylContact C-O 3.57Å; K391-F402 VanDerWaalsContact C-O 3.26Å; K391-F402 WeakPolarHBondContact CA-O 3.34Å; Y393-F402 WeakPolarHBondContact CB-O 3.48Å; Y393-F402 PolarHBondContact N-O 3.27Å; Y393-F402 PolarHBondContact O-N 2.84Å; C395-F402 HydrophobicContact CB-CE2 4.3Å; K400-F402 HydrophobicContact CB-CE2 3.98Å; K400-F402 HydrophobicContact CB-CZ 4.04Å; K400-F402 WeakPolarHBondContact O-CE2 3.4Å; F402-L408 HydrophobicContact CB-CB 4.38Å; F402-L408 HydrophobicContact CD2-CB 3.9Å; F402-L408 HydrophobicContact CD2-CD1 3.75Å; F402-L408 HydrophobicContact CD2-CG 4.43Å; F402-L408 HydrophobicContact CE2-CD1 3.9Å; F402-L408 HydrophobicContact CG-CB 4.34Å; F402-H411 HydrophobicContact CE1-CB 4.09Å; F402-H411 HydrophobicContact CE2-CB 3.88Å; F402-H411 AromaticContact CE2-CD2 3.45Å; F402-H411 VanDerWaalsContact CE2-CD2 3.45Å; F402-H411 WeakPolarHBondContact CE2-CD2 3.41Å; F402-H411 AromaticContact CE2-CG 3.61Å; F402-H411 HydrophobicContact CZ-CB 3.52Å; F402-H411 AromaticContact CZ-CD2 3.5Å; F402-H411 AromaticContact CZ-CG 3.22Å; F402-H411 AromaticContact CZ-ND1 3.59Å; F402-H411 AromaticContact CZ-NE2 3.98Å
403I78.4Confident83.1Confident39 Ų3976.2 Ų76.220%0.239%0.387CS..SBendtrans-74.2-29.5177.8-60.8177.7000111.3I385 I386 K391 Y393I385-I403 HydrophobicContact CB-CG2 4.06Å; I385-I403 HydrophobicContact CG2-CG2 3.71Å; I386-I403 HydrophobicContact CG1-CD1 4.39Å; K391-I403 HydrophobicContact CG-CG1 3.93Å; Y393-I403 VanDerWaalsContact CD2-O 3.3Å; Y393-I403 WeakPolarHBondContact CD2-O 3.33Å; Y393-I403 VanDerWaalsContact CE2-O 3.23Å; Y393-I403 WeakPolarHBondContact CE2-O 3.41Å
404W80.3Confident83.1Confident119 Ų11975.1 Ų75.145%0.45139%0.386SS..SBendtrans-124.2144.4-176.7-58.3-43.2000112.1I386 S406 T407 L408I386-W404 HydrophobicContact CD1-CZ2 4.47Å; W404-S406 VanDerWaalsContact C-N 3.29Å; W404-S406 PolarHBondContact O-N 3.12Å; W404-T407 HydrophobicContact CB-CG2 4.49Å; W404-T407 HydrophobicContact CE3-CG2 3.93Å; W404-T407 PolarHBondContact O-N 2.68Å; W404-T407 PolarHBondContact O-OG1 3.43Å; W404-L408 PolarHBondContact O-N 3.14Å
405S80.1Confident82.9Confident62 Ų6271.7 Ų71.743%0.43437%0.372SS..Hα-helixtrans-62.4-37.7175.157.20000112.1T407 L408 T409S405-T407 VanDerWaalsContact C-N 3.3Å; S405-T407 PolarHBondContact O-N 3.36Å; S405-L408 WeakPolarHBondContact O-CB 3.29Å; S405-L408 PolarHBondContact O-N 2.88Å; S405-T409 PolarHBondContact O-N 2.81Å; S405-T409 PolarHBondContact O-OG1 3.18Å; S405-T409 VanDerWaalsContact O-OG1 3.05Å
406S80.1Confident82.4Confident63 Ų6375 Ų7544%0.44139%0.392SS..Hα-helixtrans-64-33.5-179.762.10000112.9W404 K410W404-S406 VanDerWaalsContact C-N 3.29Å; W404-S406 PolarHBondContact O-N 3.12Å; S406-K410 WeakPolarHBondContact O-CG 3.31Å; S406-K410 PolarHBondContact O-N 2.8Å; S406-K410 VanDerWaalsContact O-N 3.1Å
407T82.9Confident81.8Confident43 Ų4377 Ų7726%0.26439%0.393SS..Hα-helixtrans-75.6-37.1175.450.30000111.3W404 S405 K410 H411W404-T407 HydrophobicContact CB-CG2 4.49Å; W404-T407 HydrophobicContact CE3-CG2 3.93Å; W404-T407 PolarHBondContact O-N 2.68Å; W404-T407 PolarHBondContact O-OG1 3.43Å; S405-T407 VanDerWaalsContact C-N 3.3Å; S405-T407 PolarHBondContact O-N 3.36Å; T407-K410 PolarHBondContact O-N 3.01Å; T407-H411 VanDerWaalsContact O-CB 3.3Å; T407-H411 WeakPolarHBondContact O-CB 3.4Å; T407-H411 PolarHBondContact O-N 3.4Å
408L85.7Confident81.5Confident21 Ų2176.6 Ų76.611%0.1139%0.391CS..Hα-helixtrans-59.4-46.6169.417463.1000111.5K394 C395 F402 W404 S405 K410 H411 K412K394-L408 WeakPolarHBondContact O-CD2 3.27Å; C395-L408 HydrophobicContact CB-CD1 3.57Å; F402-L408 HydrophobicContact CB-CB 4.38Å; F402-L408 HydrophobicContact CD2-CB 3.9Å; F402-L408 HydrophobicContact CD2-CD1 3.75Å; F402-L408 HydrophobicContact CD2-CG 4.43Å; F402-L408 HydrophobicContact CE2-CD1 3.9Å; F402-L408 HydrophobicContact CG-CB 4.34Å; W404-L408 PolarHBondContact O-N 3.14Å; S405-L408 WeakPolarHBondContact O-CB 3.29Å; S405-L408 PolarHBondContact O-N 2.88Å; L408-K410 VanDerWaalsContact C-N 3.33Å; L408-K410 PolarHBondContact O-N 2.84Å; L408-H411 WeakPolarHBondContact O-CB 3.49Å; L408-H411 PolarHBondContact O-N 2.99Å; L408-H411 VanDerWaalsContact O-N 3.11Å; L408-K412 HydrophobicContact CD1-CG 4.31Å; L408-K412 WeakPolarHBondContact O-CG 3.33Å; L408-K412 PolarHBondContact O-N 2.88Å
409T83Confident81.4Confident89 Ų8979.4 Ų79.455%0.54640%0.397SS..Hα-helixtrans-60.3-42.2177.4-54.10000111.9S405 H411 K412S405-T409 PolarHBondContact O-N 2.81Å; S405-T409 PolarHBondContact O-OG1 3.18Å; S405-T409 VanDerWaalsContact O-OG1 3.05Å; T409-H411 VanDerWaalsContact C-N 3.33Å; T409-K412 PolarHBondContact O-N 2.96Å
410K83.7Confident81.5Confident127 Ų12780.1 Ų80.155%0.55239%0.391SS*.Hα-helixtrans-64.4-38.8174.2-73.9176.2-178.3-178.30112S406 T407 L408 R413S406-K410 WeakPolarHBondContact O-CG 3.31Å; S406-K410 PolarHBondContact O-N 2.8Å; S406-K410 VanDerWaalsContact O-N 3.1Å; T407-K410 PolarHBondContact O-N 3.01Å; L408-K410 VanDerWaalsContact C-N 3.33Å; L408-K410 PolarHBondContact O-N 2.84Å; K410-R413 WeakPolarHBondContact O-CB 3.44Å; K410-R413 PolarHBondContact O-N 3.42Å
411H85.4Confident81.8Confident19 Ų1977.6 Ų77.69%0.08838%0.378CS..Hα-helixtrans-66.1-40.8178.2172.371.4000112.4C398 F402 T407 L408 T409 R413 I414 H415C398-H411 PolarHBondContact SG-NE2 3.02Å; F402-H411 HydrophobicContact CE1-CB 4.09Å; F402-H411 HydrophobicContact CE2-CB 3.88Å; F402-H411 AromaticContact CE2-CD2 3.45Å; F402-H411 VanDerWaalsContact CE2-CD2 3.45Å; F402-H411 WeakPolarHBondContact CE2-CD2 3.41Å; F402-H411 AromaticContact CE2-CG 3.61Å; F402-H411 HydrophobicContact CZ-CB 3.52Å; F402-H411 AromaticContact CZ-CD2 3.5Å; F402-H411 AromaticContact CZ-CG 3.22Å; F402-H411 AromaticContact CZ-ND1 3.59Å; F402-H411 AromaticContact CZ-NE2 3.98Å; T407-H411 VanDerWaalsContact O-CB 3.3Å; T407-H411 WeakPolarHBondContact O-CB 3.4Å; T407-H411 PolarHBondContact O-N 3.4Å; L408-H411 WeakPolarHBondContact O-CB 3.49Å; L408-H411 PolarHBondContact O-N 2.99Å; L408-H411 VanDerWaalsContact O-N 3.11Å; T409-H411 VanDerWaalsContact C-N 3.33Å; H411-R413 PolarHBondContact O-N 3.2Å; H411-R413 VanDerWaalsContact O-N 3.07Å; H411-I414 VanDerWaalsContact O-CB 3.26Å; H411-I414 WeakPolarHBondContact O-CB 3.49Å; H411-I414 WeakPolarHBondContact O-CG1 3.46Å; H411-I414 PolarHBondContact O-N 3.32Å; H411-H415 AromaticContact CD2-NE2 3.77Å; H411-H415 AromaticContact CE1-NE2 3.65Å; H411-H415 AromaticContact NE2-CD2 3.88Å; H411-H415 AromaticContact NE2-CE1 3.88Å; H411-H415 AromaticContact NE2-NE2 3.01Å; H411-H415 PolarHBondContact NE2-NE2 3.5Å
412K82.9Confident81.9Confident99 Ų9982.8 Ų82.843%0.4340%0.396SS..Hα-helixtrans-55.4-27.8177.2-75.2-171.5174.9-1660113.1L408 T409 I414 H415 T416L408-K412 HydrophobicContact CD1-CG 4.31Å; L408-K412 WeakPolarHBondContact O-CG 3.33Å; L408-K412 PolarHBondContact O-N 2.88Å; T409-K412 PolarHBondContact O-N 2.96Å; K412-I414 PolarHBondContact O-N 2.82Å; K412-I414 VanDerWaalsContact O-N 3.16Å; K412-H415 PolarHBondContact O-N 2.95Å; K412-H415 VanDerWaalsContact O-N 3.08Å; K412-T416 PolarHBondContact O-N 2.82Å
413R82.3Confident82.3Confident85 Ų8580.8 Ų80.832%0.32139%0.387SS..Hα-helixtrans-62-20.8174.5-61.3-175.2178.1-167.5-3.2114.1K410 H411 T416 R417 I431K410-R413 WeakPolarHBondContact O-CB 3.44Å; K410-R413 PolarHBondContact O-N 3.42Å; H411-R413 PolarHBondContact O-N 3.2Å; H411-R413 VanDerWaalsContact O-N 3.07Å; R413-T416 WeakPolarHBondContact CA-OG1 3.42Å; R413-T416 PolarHBondContact O-OG1 3.09Å; R413-R417 PolarHBondContact O-N 3.19Å; R413-I431 HydrophobicContact CB-CG2 3.81Å
414I81.7Confident82.8Confident73 Ų7386.8 Ų86.837%0.37441%0.414SS..Hα-helixtrans-71.3-37.9176.3-58.5173.9000110H411 K412 W432H411-I414 VanDerWaalsContact O-CB 3.26Å; H411-I414 WeakPolarHBondContact O-CB 3.49Å; H411-I414 WeakPolarHBondContact O-CG1 3.46Å; H411-I414 PolarHBondContact O-N 3.32Å; K412-I414 PolarHBondContact O-N 2.82Å; K412-I414 VanDerWaalsContact O-N 3.16Å; I414-W432 HydrophobicContact CD1-CZ2 4.43Å
415H80.4Confident83.2Confident62 Ų6286.8 Ų86.829%0.28742%0.419SS..Hα-helixtrans-77.2-39.5-178.8-59.9-51.2000112.3C395 E397 C398 H411 K412 R417C395-H415 PolarHBondContact SG-NE2 2.86Å; C395-H415 VanDerWaalsContact SG-NE2 3.4Å; E397-H415 WeakPolarHBondContact OE2-CB 3.5Å; E397-H415 IonicContact OE2-CD2 3.09Å; E397-H415 PolarHBondContact OE2-CD2 3.44Å; E397-H415 IonicContact OE2-CG 3.63Å; C398-H415 PolarHBondContact SG-NE2 2.81Å; C398-H415 VanDerWaalsContact SG-NE2 3.35Å; H411-H415 AromaticContact CD2-NE2 3.77Å; H411-H415 AromaticContact CE1-NE2 3.65Å; H411-H415 AromaticContact NE2-CD2 3.88Å; H411-H415 AromaticContact NE2-CE1 3.88Å; H411-H415 AromaticContact NE2-NE2 3.01Å; H411-H415 PolarHBondContact NE2-NE2 3.5Å; K412-H415 PolarHBondContact O-N 2.95Å; K412-H415 VanDerWaalsContact O-N 3.08Å; H415-R417 PolarHBondContact O-N 3.33Å; H415-R417 VanDerWaalsContact O-N 3.15Å
416T77.4Confident83.5Confident70 Ų7086.3 Ų86.343%0.42942%0.416SS..SBendtrans-68.8-11.7176.463.50000113.1K412 R413 E418K412-T416 PolarHBondContact O-N 2.82Å; R413-T416 WeakPolarHBondContact CA-OG1 3.42Å; R413-T416 PolarHBondContact O-OG1 3.09Å; T416-E418 PolarHBondContact O-N 2.79Å; T416-E418 WeakPolarHBondContact OG1-CG 3.19Å
417R74.6Confident83.8Confident209 Ų20986 Ų8679%0.78942%0.423SS*.  trans51.617.6-173.2-62.5-176.5174.5-175.2-1.8113.7R413 H415 K419R413-R417 PolarHBondContact O-N 3.19Å; H415-R417 PolarHBondContact O-N 3.33Å; H415-R417 VanDerWaalsContact O-N 3.15Å; R417-K419 PolarHBondContact O-N 2.98Å
418E76.3Confident84Confident116 Ų11689.7 Ų89.754%0.54244%0.435SS..  trans-65.4123.2176.1-73.5179.7168.900108.5T416 P420T416-E418 PolarHBondContact O-N 2.79Å; T416-E418 WeakPolarHBondContact OG1-CG 3.19Å; E418-P420 VanDerWaalsContact C-CD 3.49Å; E418-P420 WeakPolarHBondContact O-CD 3.2Å
419K82.5Confident84.2Confident111 Ų11190 Ų9048%0.48344%0.441SS..  trans-118.377.1177.1-71.7170.3169.5-166.20108.9R417 Y421 A429 F430 I431R417-K419 PolarHBondContact O-N 2.98Å; K419-Y421 PolarHBondContact O-N 2.96Å; K419-A429 HydrophobicContact CB-CB 3.52Å; K419-A429 HydrophobicContact CD-CB 4.12Å; K419-A429 WeakPolarHBondContact CD-O 3.32Å; K419-A429 HydrophobicContact CG-CB 4.41Å; K419-F430 CarbonylContact C-O 3.56Å; K419-F430 VanDerWaalsContact C-O 3.29Å; K419-F430 VanDerWaalsContact CA-O 3.28Å; K419-F430 WeakPolarHBondContact CA-O 3.5Å; K419-I431 HydrophobicContact CG-CG1 3.8Å
420P84.2Confident84.3Confident75 Ų7587.3 Ų87.349%0.48742%0.421SS..  trans-67-19.6-172.7-18.532.5000113.1E418E418-P420 VanDerWaalsContact C-CD 3.49Å; E418-P420 WeakPolarHBondContact O-CD 3.2Å
421Y87.4Confident84.4Confident77 Ų7783 Ų8330%0.30240%0.404SS..EExtended strand (participates in β ladder)trans-102.894.9-170.6-56-75.8000110.2K419 A429 F430 I431K419-Y421 PolarHBondContact O-N 2.96Å; Y421-A429 CarbonylContact O-C 3.53Å; Y421-A429 WeakPolarHBondContact O-CA 3.36Å; Y421-F430 WeakPolarHBondContact CB-O 3.49Å; Y421-F430 PolarHBondContact N-O 3.2Å; Y421-F430 VanDerWaalsContact N-O 3.15Å; Y421-F430 PolarHBondContact O-N 3.49Å; Y421-I431 WeakPolarHBondContact CD2-O 3.44Å; Y421-I431 VanDerWaalsContact CE2-O 3.24Å; Y421-I431 WeakPolarHBondContact CE2-O 3.19Å
422K88.1Confident84.4Confident137 Ų13787.4 Ų87.460%0.59642%0.42SS*.EExtended strand (participates in β ladder)trans-89.4143177.9-64.7-175.2179.9-179.10111.6A429 L436K422-A429 HydrophobicContact CG-CB 3.87Å; K422-L436 WeakPolarHBondContact O-CD2 3.19Å
423C91.4Very high84.5Confident1 Ų185.7 Ų85.71%0.00742%0.42CS..  trans-89.5118169.1177.50000108.7E425 G427 K428 F430 L436C423-E425 VanDerWaalsContact C-N 3.28Å; C423-E425 PolarHBondContact O-N 3.39Å; C423-G427 WeakPolarHBondContact O-CA 3.25Å; C423-G427 PolarHBondContact O-N 3.06Å; C423-K428 WeakPolarHBondContact CB-O 3.45Å; C423-K428 PolarHBondContact N-O 3.05Å; C423-F430 HydrophobicContact CB-CE2 4.31Å; C423-L436 HydrophobicContact CB-CD1 3.61Å
424E89.3Confident84.7Confident165 Ų16585.5 Ų85.577%0.77143%0.432SS*.THydrogen-bonded Turntrans-66.6-28.8180-57.2-53.313900112.8
425E87.3Confident85Confident118 Ų11883.1 Ų83.155%0.55142%0.421SS*.THydrogen-bonded Turntrans-77.4-28.8-176.1-67.6164.4161.600113.8C423 H443C423-E425 VanDerWaalsContact C-N 3.28Å; C423-E425 PolarHBondContact O-N 3.39Å; E425-H443 WeakPolarHBondContact OE2-CB 3.35Å; E425-H443 IonicContact OE2-CD2 3.12Å; E425-H443 PolarHBondContact OE2-CD2 3.41Å; E425-H443 IonicContact OE2-CG 3.37Å; E425-H443 IonicContact OE2-NE2 3.06Å
426C87.9Confident85.4Confident53 Ų5381.1 Ų81.136%0.35841%0.412SS..THydrogen-bonded Turntrans-134.86.4-177.372.30000114.7K428 H439 H443C426-K428 PolarHBondContact O-N 3.4Å; C426-H439 PolarHBondContact SG-NE2 3.36Å; C426-H443 PolarHBondContact SG-NE2 3.04Å; C426-H443 VanDerWaalsContact SG-NE2 3.42Å
427G85.5Confident85.9Confident57 Ų5781.8 Ų81.859%0.58842%0.416SS*.  trans68.7-4.7-179.500000115.6C423 A429C423-G427 WeakPolarHBondContact O-CA 3.25Å; C423-G427 PolarHBondContact O-N 3.06Å; G427-A429 PolarHBondContact O-N 3.24Å
428K87.4Confident86.5Confident120 Ų12077 Ų7752%0.52240%0.398SS..  trans-66.7131.5-177.8-72.8-176.9179.4178.80111.5C423 C426 F430C423-K428 WeakPolarHBondContact CB-O 3.45Å; C423-K428 PolarHBondContact N-O 3.05Å; C426-K428 PolarHBondContact O-N 3.4Å; K428-F430 HydrophobicContact CB-CE2 3.97Å; K428-F430 HydrophobicContact CB-CZ 4.07Å; K428-F430 WeakPolarHBondContact O-CE2 3.45Å
429A88.8Confident87.1Confident28 Ų2872.5 Ų72.523%0.23138%0.377CS..EExtended strand (participates in β ladder)trans-104.9141.9-179.400000111.8K419 Y421 K422 G427K419-A429 HydrophobicContact CB-CB 3.52Å; K419-A429 HydrophobicContact CD-CB 4.12Å; K419-A429 WeakPolarHBondContact CD-O 3.32Å; K419-A429 HydrophobicContact CG-CB 4.41Å; Y421-A429 CarbonylContact O-C 3.53Å; Y421-A429 WeakPolarHBondContact O-CA 3.36Å; K422-A429 HydrophobicContact CG-CB 3.87Å; G427-A429 PolarHBondContact O-N 3.24Å
430F86.5Confident87.4Confident32 Ų3271.6 Ų71.614%0.1437%0.373CS..EExtended strand (participates in β ladder)trans-126.5151.9-177.2-58.6-87.5000111.4K419 Y421 C423 K428 L436 H439K419-F430 CarbonylContact C-O 3.56Å; K419-F430 VanDerWaalsContact C-O 3.29Å; K419-F430 VanDerWaalsContact CA-O 3.28Å; K419-F430 WeakPolarHBondContact CA-O 3.5Å; Y421-F430 WeakPolarHBondContact CB-O 3.49Å; Y421-F430 PolarHBondContact N-O 3.2Å; Y421-F430 VanDerWaalsContact N-O 3.15Å; Y421-F430 PolarHBondContact O-N 3.49Å; C423-F430 HydrophobicContact CB-CE2 4.31Å; K428-F430 HydrophobicContact CB-CE2 3.97Å; K428-F430 HydrophobicContact CB-CZ 4.07Å; K428-F430 WeakPolarHBondContact O-CE2 3.45Å; F430-L436 HydrophobicContact CB-CB 4.41Å; F430-L436 HydrophobicContact CD2-CB 3.98Å; F430-L436 HydrophobicContact CD2-CD1 3.79Å; F430-L436 HydrophobicContact CD2-CG 4.49Å; F430-L436 HydrophobicContact CE2-CD1 3.97Å; F430-L436 HydrophobicContact CG-CB 4.39Å; F430-H439 HydrophobicContact CE1-CB 4.1Å; F430-H439 HydrophobicContact CE2-CB 3.89Å; F430-H439 AromaticContact CE2-CD2 3.41Å; F430-H439 VanDerWaalsContact CE2-CD2 3.41Å; F430-H439 WeakPolarHBondContact CE2-CD2 3.26Å; F430-H439 AromaticContact CE2-CG 3.62Å; F430-H439 HydrophobicContact CZ-CB 3.52Å; F430-H439 AromaticContact CZ-CD2 3.49Å; F430-H439 VanDerWaalsContact CZ-CD2 3.49Å; F430-H439 WeakPolarHBondContact CZ-CD2 3.32Å; F430-H439 AromaticContact CZ-CG 3.24Å; F430-H439 AromaticContact CZ-ND1 3.68Å
431I84.3Confident87.6Confident35 Ų3570.9 Ų70.918%0.17936%0.361CS..SBendtrans-77.2-29.1179-56.7178000111R413 K419 Y421R413-I431 HydrophobicContact CB-CG2 3.81Å; K419-I431 HydrophobicContact CG-CG1 3.8Å; Y421-I431 WeakPolarHBondContact CD2-O 3.44Å; Y421-I431 VanDerWaalsContact CE2-O 3.24Å; Y421-I431 WeakPolarHBondContact CE2-O 3.19Å
432W85.6Confident87.5Confident113 Ų11373.5 Ų73.543%0.42838%0.377SS..SBendtrans-122.8146.7-178-55-44.3000112.6I414 T435 L436I414-W432 HydrophobicContact CD1-CZ2 4.43Å; W432-T435 HydrophobicContact CB-CG2 4.5Å; W432-T435 HydrophobicContact CE3-CG2 3.92Å; W432-T435 PolarHBondContact O-N 2.91Å; W432-T435 PolarHBondContact O-OG1 3.31Å; W432-L436 PolarHBondContact O-N 3.05Å
433S86.4Confident87.4Confident63 Ų6370.8 Ų70.844%0.44137%0.366SS..Hα-helixtrans-65.9-38.5176.656.20000112.1T435 L436 T437S433-T435 VanDerWaalsContact C-N 3.3Å; S433-T435 PolarHBondContact O-N 3.11Å; S433-L436 WeakPolarHBondContact O-CB 3.48Å; S433-L436 PolarHBondContact O-N 2.85Å; S433-L436 VanDerWaalsContact O-N 3.12Å; S433-T437 PolarHBondContact O-N 3.16Å; S433-T437 PolarHBondContact O-OG1 3.15Å
434S85.9Confident87.1Confident80 Ų8074.3 Ų74.356%0.55939%0.388SS*.Hα-helixtrans-60.1-39.2177.754.10000112.4T437 R438S434-T437 PolarHBondContact O-N 3.22Å; S434-R438 WeakPolarHBondContact O-CB 3.48Å; S434-R438 PolarHBondContact O-N 3.2Å
435T86.8Confident86.9Confident23 Ų2368.7 Ų68.714%0.14138%0.375CS..Hα-helixtrans-68-37.8175.545.10000111.9W432 S433 R438 H439W432-T435 HydrophobicContact CB-CG2 4.5Å; W432-T435 HydrophobicContact CE3-CG2 3.92Å; W432-T435 PolarHBondContact O-N 2.91Å; W432-T435 PolarHBondContact O-OG1 3.31Å; S433-T435 VanDerWaalsContact C-N 3.3Å; S433-T435 PolarHBondContact O-N 3.11Å; T435-R438 PolarHBondContact O-N 3.13Å; T435-H439 VanDerWaalsContact O-CB 3.28Å; T435-H439 WeakPolarHBondContact O-CB 3.43Å; T435-H439 PolarHBondContact O-N 3.23Å
436L89.8Confident86.9Confident20 Ų2068.4 Ų68.411%0.10537%0.373CS..Hα-helixtrans-64.3-47.5173.2172.963.5000111.2K422 C423 F430 W432 S433 R438 H439 K440K422-L436 WeakPolarHBondContact O-CD2 3.19Å; C423-L436 HydrophobicContact CB-CD1 3.61Å; F430-L436 HydrophobicContact CB-CB 4.41Å; F430-L436 HydrophobicContact CD2-CB 3.98Å; F430-L436 HydrophobicContact CD2-CD1 3.79Å; F430-L436 HydrophobicContact CD2-CG 4.49Å; F430-L436 HydrophobicContact CE2-CD1 3.97Å; F430-L436 HydrophobicContact CG-CB 4.39Å; W432-L436 PolarHBondContact O-N 3.05Å; S433-L436 WeakPolarHBondContact O-CB 3.48Å; S433-L436 PolarHBondContact O-N 2.85Å; S433-L436 VanDerWaalsContact O-N 3.12Å; L436-R438 VanDerWaalsContact C-N 3.28Å; L436-R438 PolarHBondContact O-N 3.01Å; L436-H439 WeakPolarHBondContact O-CB 3.42Å; L436-H439 PolarHBondContact O-N 3.27Å; L436-H439 VanDerWaalsContact O-N 3.1Å; L436-K440 HydrophobicContact CD1-CG 4.27Å; L436-K440 WeakPolarHBondContact O-CG 3.4Å; L436-K440 PolarHBondContact O-N 3.46Å
437T87.3Confident87Confident84 Ų8471.9 Ų71.952%0.51538%0.382SS..Hα-helixtrans-58-43.2177.5-56.90000111.4S433 S434 K440S433-T437 PolarHBondContact O-N 3.16Å; S433-T437 PolarHBondContact O-OG1 3.15Å; S434-T437 PolarHBondContact O-N 3.22Å; T437-K440 PolarHBondContact O-N 3.4Å
438R88.1Confident87.2Confident109 Ų10972.7 Ų72.741%0.41138%0.377SS..Hα-helixtrans-65.2-39.2175.7-174.8173.472-174-3.4112.3S434 T435 L436 R441 Q460S434-R438 WeakPolarHBondContact O-CB 3.48Å; S434-R438 PolarHBondContact O-N 3.2Å; T435-R438 PolarHBondContact O-N 3.13Å; L436-R438 VanDerWaalsContact C-N 3.28Å; L436-R438 PolarHBondContact O-N 3.01Å; R438-R441 WeakPolarHBondContact O-CB 3.41Å; R438-R441 PolarHBondContact O-N 2.78Å; R438-Q460 VanDerWaalsContact CD-NE2 3.34Å; R438-Q460 HydrophobicContact CG-CG 4.25Å
439H89.4Confident87.3Confident21 Ų2170.7 Ų70.710%0.09737%0.367CS..Hα-helixtrans-65.2-40.6176.5171.468.3000112.2C426 F430 T435 L436 R441 M442 H443C426-H439 PolarHBondContact SG-NE2 3.36Å; F430-H439 HydrophobicContact CE1-CB 4.1Å; F430-H439 HydrophobicContact CE2-CB 3.89Å; F430-H439 AromaticContact CE2-CD2 3.41Å; F430-H439 VanDerWaalsContact CE2-CD2 3.41Å; F430-H439 WeakPolarHBondContact CE2-CD2 3.26Å; F430-H439 AromaticContact CE2-CG 3.62Å; F430-H439 HydrophobicContact CZ-CB 3.52Å; F430-H439 AromaticContact CZ-CD2 3.49Å; F430-H439 VanDerWaalsContact CZ-CD2 3.49Å; F430-H439 WeakPolarHBondContact CZ-CD2 3.32Å; F430-H439 AromaticContact CZ-CG 3.24Å; F430-H439 AromaticContact CZ-ND1 3.68Å; T435-H439 VanDerWaalsContact O-CB 3.28Å; T435-H439 WeakPolarHBondContact O-CB 3.43Å; T435-H439 PolarHBondContact O-N 3.23Å; L436-H439 WeakPolarHBondContact O-CB 3.42Å; L436-H439 PolarHBondContact O-N 3.27Å; L436-H439 VanDerWaalsContact O-N 3.1Å; H439-R441 PolarHBondContact O-N 3.46Å; H439-R441 VanDerWaalsContact O-N 3.14Å; H439-M442 VanDerWaalsContact O-CB 3.23Å; H439-M442 WeakPolarHBondContact O-CB 3.38Å; H439-M442 WeakPolarHBondContact O-CG 3.25Å; H439-M442 PolarHBondContact O-N 3Å; H439-H443 AromaticContact CD2-NE2 3.85Å; H439-H443 AromaticContact CE1-NE2 3.56Å; H439-H443 AromaticContact NE2-CD2 3.86Å; H439-H443 AromaticContact NE2-CE1 3.97Å; H439-H443 AromaticContact NE2-NE2 3.04Å; H439-H443 PolarHBondContact NE2-NE2 2.88Å
440K87.4Confident87.4Confident93 Ų9374.6 Ų74.640%0.40438%0.379SS..Hα-helixtrans-56.2-30.9176.9-74.8-172.2174.5-163.70113.1L436 T437 M442 H443 T444L436-K440 HydrophobicContact CD1-CG 4.27Å; L436-K440 WeakPolarHBondContact O-CG 3.4Å; L436-K440 PolarHBondContact O-N 3.46Å; T437-K440 PolarHBondContact O-N 3.4Å; K440-M442 PolarHBondContact O-N 3.11Å; K440-M442 VanDerWaalsContact O-N 3.12Å; K440-H443 PolarHBondContact O-N 2.88Å; K440-T444 PolarHBondContact O-N 2.86Å; K440-T444 VanDerWaalsContact O-N 3.15Å; K440-T444 PolarHBondContact O-OG1 3.1Å
441R89.6Confident87.6Confident60 Ų6073.1 Ų73.123%0.22637%0.372CS..Hα-helixtrans-61-20174-61.6-178.3179.9172-1.2113.9R438 H439 G445 E446 S459R438-R441 WeakPolarHBondContact O-CB 3.41Å; R438-R441 PolarHBondContact O-N 2.78Å; H439-R441 PolarHBondContact O-N 3.46Å; H439-R441 VanDerWaalsContact O-N 3.14Å; R441-G445 WeakPolarHBondContact O-CA 3.28Å; R441-G445 PolarHBondContact O-N 2.96Å; R441-G445 VanDerWaalsContact O-N 3.08Å; R441-E446 HydrophobicContact CB-CB 4.44Å; R441-E446 HydrophobicContact CG-CB 4.35Å; R441-E446 PolarHBondContact O-N 2.94Å; R441-S459 PolarHBondContact NH1-O 3.04Å
442M85.4Confident87.9Confident132 Ų13278.8 Ų78.865%0.6540%0.398SS*.Hα-helixtrans-73.6-30.5174.8-61-178.761.900112.4H439 K440H439-M442 VanDerWaalsContact O-CB 3.23Å; H439-M442 WeakPolarHBondContact O-CB 3.38Å; H439-M442 WeakPolarHBondContact O-CG 3.25Å; H439-M442 PolarHBondContact O-N 3Å; K440-M442 PolarHBondContact O-N 3.11Å; K440-M442 VanDerWaalsContact O-N 3.12Å
443H86.1Confident88Confident79 Ų7979.2 Ų79.237%0.36641%0.405SS..Hα-helixtrans-83.7-43.5179-60.7-56000111E425 C426 H439 K440 G445E425-H443 WeakPolarHBondContact OE2-CB 3.35Å; E425-H443 IonicContact OE2-CD2 3.12Å; E425-H443 PolarHBondContact OE2-CD2 3.41Å; E425-H443 IonicContact OE2-CG 3.37Å; E425-H443 IonicContact OE2-NE2 3.06Å; C426-H443 PolarHBondContact SG-NE2 3.04Å; C426-H443 VanDerWaalsContact SG-NE2 3.42Å; H439-H443 AromaticContact CD2-NE2 3.85Å; H439-H443 AromaticContact CE1-NE2 3.56Å; H439-H443 AromaticContact NE2-CD2 3.86Å; H439-H443 AromaticContact NE2-CE1 3.97Å; H439-H443 AromaticContact NE2-NE2 3.04Å; H439-H443 PolarHBondContact NE2-NE2 2.88Å; K440-H443 PolarHBondContact O-N 2.88Å; H443-G445 VanDerWaalsContact C-N 3.26Å; H443-G445 PolarHBondContact O-N 3.14Å
444T85.4Confident88.1Confident76 Ų7678.7 Ų78.747%0.46640%0.4SS..Hα-helixtrans-75.6-16.117862.40000113.3K440 E446K440-T444 PolarHBondContact O-N 2.86Å; K440-T444 VanDerWaalsContact O-N 3.15Å; K440-T444 PolarHBondContact O-OG1 3.1Å; T444-E446 PolarHBondContact O-N 3.1Å; T444-E446 WeakPolarHBondContact OG1-CG 3.23Å; T444-E446 PolarHBondContact OG1-N 2.9Å
445G84.9Confident88.2Confident47 Ų4776.7 Ų76.749%0.48539%0.393SS..  trans70.66.8-174.500000114.1R441 H443 K447R441-G445 WeakPolarHBondContact O-CA 3.28Å; R441-G445 PolarHBondContact O-N 2.96Å; R441-G445 VanDerWaalsContact O-N 3.08Å; H443-G445 VanDerWaalsContact C-N 3.26Å; H443-G445 PolarHBondContact O-N 3.14Å; G445-K447 PolarHBondContact O-N 2.69Å
446E86.8Confident88.3Confident112 Ų11281.7 Ų81.752%0.52341%0.412SS..  trans-58.6123.2-179.7-79.1-178.7-175.400111.8R441 T444R441-E446 HydrophobicContact CB-CB 4.44Å; R441-E446 HydrophobicContact CG-CB 4.35Å; R441-E446 PolarHBondContact O-N 2.94Å; T444-E446 PolarHBondContact O-N 3.1Å; T444-E446 WeakPolarHBondContact OG1-CG 3.23Å; T444-E446 PolarHBondContact OG1-N 2.9Å
447K89.4Confident88.3Confident126 Ų12682.8 Ų82.855%0.54842%0.422SS..  trans-126.778.5178.4-72.9165.2171.4-176.70110.2G445 Y449 S457 F458G445-K447 PolarHBondContact O-N 2.69Å; K447-Y449 PolarHBondContact O-N 3.28Å; K447-Y449 VanDerWaalsContact O-N 3.17Å; K447-S457 WeakPolarHBondContact CD-O 3.45Å; K447-F458 CarbonylContact C-O 3.57Å; K447-F458 VanDerWaalsContact CA-O 3.25Å; K447-F458 WeakPolarHBondContact CA-O 2.98Å
448P89.3Confident88.4Confident74 Ų7481 Ų8148%0.48141%0.407SS..  trans-67-17.6-172.7-20.933.7000114.3
449Y90.9Very high88.4Confident77 Ų7777.5 Ų77.530%0.30240%0.4SS..EExtended strand (participates in β ladder)trans-104.795.9-171-55.4-76.6000110.1K447 S457 F458K447-Y449 PolarHBondContact O-N 3.28Å; K447-Y449 VanDerWaalsContact O-N 3.17Å; Y449-S457 CarbonylContact O-C 3.6Å; Y449-S457 WeakPolarHBondContact O-CA 3.44Å; Y449-F458 WeakPolarHBondContact CD2-O 3.46Å; Y449-F458 PolarHBondContact N-O 3.11Å; Y449-F458 VanDerWaalsContact N-O 3.07Å; Y449-F458 PolarHBondContact O-N 3.23Å
450K90.1Very high88.3Confident111 Ų11179.2 Ų79.248%0.48341%0.407SS..EExtended strand (participates in β ladder)trans-87.6140.1178.5-167.4179.4177-167.20111.4L464K450-L464 WeakPolarHBondContact O-CD2 3.32Å
451C91.9Very high88.3Confident1 Ų177.6 Ų77.61%0.00741%0.408CS..  trans-86.4121166.1179.90000108.8E453 C454 G455 K456 F458 L464C451-E453 VanDerWaalsContact C-N 3.3Å; C451-E453 PolarHBondContact O-N 3.19Å; C451-C454 VanDerWaalsContact SG-SG 3.65Å; C451-G455 CarbonylContact O-C 3.4Å; C451-G455 WeakPolarHBondContact O-CA 3.23Å; C451-G455 PolarHBondContact O-N 3.39Å; C451-K456 WeakPolarHBondContact CB-O 3.43Å; C451-K456 PolarHBondContact N-O 3.12Å; C451-F458 HydrophobicContact CB-CE2 4.29Å; C451-L464 HydrophobicContact CB-CD1 3.64Å
452E90Very high88.1Confident153 Ų15377.9 Ų77.972%0.71542%0.419SS*.THydrogen-bonded Turntrans-70-27.7179.7-59.5-51.2139.200112.7
453E88.3Confident88.2Confident123 Ų12373.9 Ų73.958%0.57540%0.402SS*.THydrogen-bonded Turntrans-79.2-31.7-175-65.5173.1-140.300113.8C451 H471C451-E453 VanDerWaalsContact C-N 3.3Å; C451-E453 PolarHBondContact O-N 3.19Å; E453-H471 WeakPolarHBondContact OE2-CB 3.42Å; E453-H471 IonicContact OE2-CD2 3.12Å; E453-H471 IonicContact OE2-CG 3.14Å; E453-H471 IonicContact OE2-ND1 3.09Å
454C88.5Confident88.3Confident51 Ų5171.1 Ų71.135%0.34539%0.39SS..THydrogen-bonded Turntrans-127.96.117968.60000114.8C451 K456 H467 H471C451-C454 VanDerWaalsContact SG-SG 3.65Å; C454-K456 PolarHBondContact O-N 3.4Å; C454-H467 PolarHBondContact SG-NE2 2.87Å; C454-H471 PolarHBondContact SG-NE2 3.29Å; C454-H471 VanDerWaalsContact SG-NE2 3.37Å
455G87.1Confident88.3Confident39 Ų3972 Ų7240%0.40240%0.395SS..  trans68.4-0.7-179.800000115.4C451C451-G455 CarbonylContact O-C 3.4Å; C451-G455 WeakPolarHBondContact O-CA 3.23Å; C451-G455 PolarHBondContact O-N 3.39Å
456K89.2Confident88.3Confident127 Ų12772.8 Ų72.855%0.55239%0.391SS*.  trans-71.4130.4-177.6-71.4179.9-178.4172.60111.3C451 C454 F458C451-K456 WeakPolarHBondContact CB-O 3.43Å; C451-K456 PolarHBondContact N-O 3.12Å; C454-K456 PolarHBondContact O-N 3.4Å; K456-F458 HydrophobicContact CB-CE2 4Å; K456-F458 HydrophobicContact CB-CZ 4.05Å; K456-F458 WeakPolarHBondContact O-CE2 3.41Å
457S90.3Very high88.3Confident44 Ų4468.4 Ų68.431%0.30837%0.37SS..EExtended strand (participates in β ladder)trans-103.3144.6178.1-52.80000112.8K447 Y449K447-S457 WeakPolarHBondContact CD-O 3.45Å; Y449-S457 CarbonylContact O-C 3.6Å; Y449-S457 WeakPolarHBondContact O-CA 3.44Å
458F88.6Confident88.1Confident45 Ų4567.1 Ų67.120%0.19737%0.365CS..EExtended strand (participates in β ladder)trans-127151.8-177.4-57-87.4000111.4K447 Y449 C451 K456 T463 L464 H467K447-F458 CarbonylContact C-O 3.57Å; K447-F458 VanDerWaalsContact CA-O 3.25Å; K447-F458 WeakPolarHBondContact CA-O 2.98Å; Y449-F458 WeakPolarHBondContact CD2-O 3.46Å; Y449-F458 PolarHBondContact N-O 3.11Å; Y449-F458 VanDerWaalsContact N-O 3.07Å; Y449-F458 PolarHBondContact O-N 3.23Å; C451-F458 HydrophobicContact CB-CE2 4.29Å; K456-F458 HydrophobicContact CB-CE2 4Å; K456-F458 HydrophobicContact CB-CZ 4.05Å; K456-F458 WeakPolarHBondContact O-CE2 3.41Å; F458-T463 WeakPolarHBondContact CB-OG1 3.49Å; F458-L464 HydrophobicContact CD2-CB 3.99Å; F458-L464 HydrophobicContact CD2-CD1 3.84Å; F458-L464 HydrophobicContact CE2-CD1 3.98Å; F458-L464 HydrophobicContact CG-CB 4.46Å; F458-H467 HydrophobicContact CE1-CB 4.25Å; F458-H467 HydrophobicContact CE2-CB 4Å; F458-H467 AromaticContact CE2-CD2 3.37Å; F458-H467 WeakPolarHBondContact CE2-CD2 3.4Å; F458-H467 AromaticContact CE2-CG 3.69Å; F458-H467 AromaticContact CE2-NE2 3.99Å; F458-H467 HydrophobicContact CZ-CB 3.67Å; F458-H467 AromaticContact CZ-CD2 3.38Å; F458-H467 WeakPolarHBondContact CZ-CD2 3.43Å; F458-H467 AromaticContact CZ-CG 3.28Å; F458-H467 AromaticContact CZ-ND1 3.7Å; F458-H467 AromaticContact CZ-NE2 3.79Å
459S87.2Confident87.9Confident37 Ų3764.9 Ų64.926%0.25935%0.349SS..SBendtrans-82.2-13178.957.30000113.7R441R441-S459 PolarHBondContact NH1-O 3.04Å
460Q88.2Confident87.6Confident56 Ų5665.7 Ų65.726%0.26236%0.357SS..SBendtrans-132.1147.2-179.2-55.5-177.518.800110.8R438 T463 L464R438-Q460 VanDerWaalsContact CD-NE2 3.34Å; R438-Q460 HydrophobicContact CG-CG 4.25Å; Q460-T463 HydrophobicContact CB-CG2 4.24Å; Q460-T463 PolarHBondContact O-OG1 2.92Å; Q460-L464 PolarHBondContact O-N 3.28Å
461S88Confident87.3Confident60 Ų6063.7 Ų63.742%0.4235%0.349SS..Hα-helixtrans-71.2-39.1177.2530000111.9T463 L464 T465S461-T463 VanDerWaalsContact C-N 3.28Å; S461-T463 PolarHBondContact O-N 3.28Å; S461-L464 WeakPolarHBondContact O-CB 3.46Å; S461-L464 PolarHBondContact O-N 3.46Å; S461-L464 VanDerWaalsContact O-N 3.15Å; S461-T465 PolarHBondContact O-N 3.18Å; S461-T465 PolarHBondContact O-OG1 3.27Å
462S85.4Confident86.8Confident65 Ų6567.4 Ų67.446%0.45537%0.372SS..Hα-helixtrans-58-40.917852.40000112.1T465 T466S462-T465 PolarHBondContact O-N 2.95Å; S462-T466 WeakPolarHBondContact O-CG2 3.48Å; S462-T466 PolarHBondContact O-N 3.45Å; S462-T466 PolarHBondContact O-OG1 3.12Å
463T86.1Confident86.3Confident49 Ų4962.5 Ų62.530%0.30136%0.363SS..Hα-helixtrans-68.2-39.2177.654.70000111.6F458 Q460 S461 T466 H467F458-T463 WeakPolarHBondContact CB-OG1 3.49Å; Q460-T463 HydrophobicContact CB-CG2 4.24Å; Q460-T463 PolarHBondContact O-OG1 2.92Å; S461-T463 VanDerWaalsContact C-N 3.28Å; S461-T463 PolarHBondContact O-N 3.28Å; T463-T466 WeakPolarHBondContact CA-OG1 3.27Å; T463-T466 PolarHBondContact O-N 2.82Å; T463-T466 PolarHBondContact O-OG1 2.82Å; T463-H467 VanDerWaalsContact O-CB 3.23Å; T463-H467 WeakPolarHBondContact O-CB 3.49Å; T463-H467 PolarHBondContact O-N 3.46Å
464L89.3Confident85.9Confident21 Ų2162.4 Ų62.411%0.1136%0.362CS..Hα-helixtrans-60-46.3170.8173.863.7000111.4K450 C451 F458 Q460 S461 T466 H467 K468K450-L464 WeakPolarHBondContact O-CD2 3.32Å; C451-L464 HydrophobicContact CB-CD1 3.64Å; F458-L464 HydrophobicContact CD2-CB 3.99Å; F458-L464 HydrophobicContact CD2-CD1 3.84Å; F458-L464 HydrophobicContact CE2-CD1 3.98Å; F458-L464 HydrophobicContact CG-CB 4.46Å; Q460-L464 PolarHBondContact O-N 3.28Å; S461-L464 WeakPolarHBondContact O-CB 3.46Å; S461-L464 PolarHBondContact O-N 3.46Å; S461-L464 VanDerWaalsContact O-N 3.15Å; L464-T466 PolarHBondContact O-N 3.39Å; L464-H467 WeakPolarHBondContact O-CB 3.43Å; L464-H467 PolarHBondContact O-N 3.36Å; L464-H467 VanDerWaalsContact O-N 3.09Å; L464-K468 HydrophobicContact CD1-CG 4.47Å; L464-K468 WeakPolarHBondContact O-CG 3.29Å; L464-K468 PolarHBondContact O-N 3.16Å
465T85.3Confident85.7Confident94 Ų9465.8 Ų65.858%0.57737%0.371SS*.Hα-helixtrans-58.9-46.5177.2-56.70000111.3S461 S462 H467 K468S461-T465 PolarHBondContact O-N 3.18Å; S461-T465 PolarHBondContact O-OG1 3.27Å; S462-T465 PolarHBondContact O-N 2.95Å; T465-H467 VanDerWaalsContact C-N 3.25Å; T465-H467 PolarHBondContact O-N 3.03Å; T465-K468 PolarHBondContact O-N 3.02Å
466T84.1Confident85.6Confident63 Ų6367.5 Ų67.539%0.38738%0.375SS..Hα-helixtrans-67.7-26.4176.358.10000113.4S462 T463 L464 I469S462-T466 WeakPolarHBondContact O-CG2 3.48Å; S462-T466 PolarHBondContact O-N 3.45Å; S462-T466 PolarHBondContact O-OG1 3.12Å; T463-T466 WeakPolarHBondContact CA-OG1 3.27Å; T463-T466 PolarHBondContact O-N 2.82Å; T463-T466 PolarHBondContact O-OG1 2.82Å; L464-T466 PolarHBondContact O-N 3.39Å; T466-I469 WeakPolarHBondContact O-CB 3.5Å
467H86.9Confident85.4Confident20 Ų2065.6 Ų65.69%0.09337%0.365CS..Hα-helixtrans-72.8-38.3176.6174.164.6000111.5C454 F458 T463 L464 T465 I469 I470 H471C454-H467 PolarHBondContact SG-NE2 2.87Å; F458-H467 HydrophobicContact CE1-CB 4.25Å; F458-H467 HydrophobicContact CE2-CB 4Å; F458-H467 AromaticContact CE2-CD2 3.37Å; F458-H467 WeakPolarHBondContact CE2-CD2 3.4Å; F458-H467 AromaticContact CE2-CG 3.69Å; F458-H467 AromaticContact CE2-NE2 3.99Å; F458-H467 HydrophobicContact CZ-CB 3.67Å; F458-H467 AromaticContact CZ-CD2 3.38Å; F458-H467 WeakPolarHBondContact CZ-CD2 3.43Å; F458-H467 AromaticContact CZ-CG 3.28Å; F458-H467 AromaticContact CZ-ND1 3.7Å; F458-H467 AromaticContact CZ-NE2 3.79Å; T463-H467 VanDerWaalsContact O-CB 3.23Å; T463-H467 WeakPolarHBondContact O-CB 3.49Å; T463-H467 PolarHBondContact O-N 3.46Å; L464-H467 WeakPolarHBondContact O-CB 3.43Å; L464-H467 PolarHBondContact O-N 3.36Å; L464-H467 VanDerWaalsContact O-N 3.09Å; T465-H467 VanDerWaalsContact C-N 3.25Å; T465-H467 PolarHBondContact O-N 3.03Å; H467-I469 PolarHBondContact O-N 3.36Å; H467-I469 VanDerWaalsContact O-N 3.16Å; H467-I470 VanDerWaalsContact O-CB 3.26Å; H467-I470 WeakPolarHBondContact O-CB 3.28Å; H467-I470 WeakPolarHBondContact O-CG1 3.48Å; H467-I470 PolarHBondContact O-N 3.44Å; H467-H471 AromaticContact CD2-NE2 4Å; H467-H471 AromaticContact CE1-NE2 3.82Å; H467-H471 AromaticContact NE2-NE2 3.3Å; H467-H471 PolarHBondContact NE2-NE2 3.29Å
468K85.4Confident85.3Confident99 Ų9970.1 Ų70.143%0.4338%0.379SS..Hα-helixtrans-56.4-30.4176.2-72.9-174.1175-165.10113.1L464 T465 I470 H471 T472L464-K468 HydrophobicContact CD1-CG 4.47Å; L464-K468 WeakPolarHBondContact O-CG 3.29Å; L464-K468 PolarHBondContact O-N 3.16Å; T465-K468 PolarHBondContact O-N 3.02Å; K468-I470 PolarHBondContact O-N 3.21Å; K468-I470 VanDerWaalsContact O-N 3.17Å; K468-H471 WeakPolarHBondContact O-CB 2.97Å; K468-H471 PolarHBondContact O-N 3.49Å; K468-T472 PolarHBondContact O-N 3.24Å; K468-T472 VanDerWaalsContact O-N 3.16Å
469I85.9Confident85.3Confident28 Ų2868 Ų6814%0.14437%0.37CS..Hα-helixtrans-57.7-29.9174.7-56.9175.8000111.9T466 H467 H471 T472 G473 E474 N487T466-I469 WeakPolarHBondContact O-CB 3.5Å; H467-I469 PolarHBondContact O-N 3.36Å; H467-I469 VanDerWaalsContact O-N 3.16Å; I469-H471 VanDerWaalsContact C-N 3.29Å; I469-H471 PolarHBondContact O-N 3.02Å; I469-T472 PolarHBondContact O-OG1 3.35Å; I469-G473 PolarHBondContact O-N 3.05Å; I469-G473 VanDerWaalsContact O-N 3.1Å; I469-E474 HydrophobicContact CG2-CB 4.44Å; I469-E474 WeakPolarHBondContact CG2-O 3.45Å; I469-N487 HydrophobicContact CG2-CB 4.1Å
470I83.8Confident85.3Confident93 Ų9374.3 Ų74.348%0.47740%0.395SS..Hα-helixtrans-67.3-34.6178-57.3176.9000110.8H467 K468 W488H467-I470 VanDerWaalsContact O-CB 3.26Å; H467-I470 WeakPolarHBondContact O-CB 3.28Å; H467-I470 WeakPolarHBondContact O-CG1 3.48Å; H467-I470 PolarHBondContact O-N 3.44Å; K468-I470 PolarHBondContact O-N 3.21Å; K468-I470 VanDerWaalsContact O-N 3.17Å; I470-W488 HydrophobicContact CD1-CZ2 4.35Å
471H83.9Confident85.2Confident70 Ų7077.1 Ų77.132%0.32441%0.409SS..Hα-helixtrans-79-41.6-179.8-66.6-66000112.8E453 C454 H467 K468 I469 G473E453-H471 WeakPolarHBondContact OE2-CB 3.42Å; E453-H471 IonicContact OE2-CD2 3.12Å; E453-H471 IonicContact OE2-CG 3.14Å; E453-H471 IonicContact OE2-ND1 3.09Å; C454-H471 PolarHBondContact SG-NE2 3.29Å; C454-H471 VanDerWaalsContact SG-NE2 3.37Å; H467-H471 AromaticContact CD2-NE2 4Å; H467-H471 AromaticContact CE1-NE2 3.82Å; H467-H471 AromaticContact NE2-NE2 3.3Å; H467-H471 PolarHBondContact NE2-NE2 3.29Å; K468-H471 WeakPolarHBondContact O-CB 2.97Å; K468-H471 PolarHBondContact O-N 3.49Å; I469-H471 VanDerWaalsContact C-N 3.29Å; I469-H471 PolarHBondContact O-N 3.02Å; H471-G473 PolarHBondContact O-N 2.9Å
472T81.8Confident85.1Confident78 Ų7876.8 Ų76.848%0.47941%0.406SS..Hα-helixtrans-70.4-17.917762.10000112.2K468 I469 E474K468-T472 PolarHBondContact O-N 3.24Å; K468-T472 VanDerWaalsContact O-N 3.16Å; I469-T472 PolarHBondContact O-OG1 3.35Å; T472-E474 PolarHBondContact O-N 3.12Å; T472-E474 VanDerWaalsContact O-N 3.1Å; T472-E474 WeakPolarHBondContact OG1-CB 3.42Å; T472-E474 WeakPolarHBondContact OG1-CG 3.39Å; T472-E474 PolarHBondContact OG1-N 3.38Å
473G79.7Confident85.1Confident51 Ų5176.5 Ų76.553%0.52641%0.412SS..  trans67.44.8-174.900000113.3I469 H471I469-G473 PolarHBondContact O-N 3.05Å; I469-G473 VanDerWaalsContact O-N 3.1Å; H471-G473 PolarHBondContact O-N 2.9Å
474E80.2Confident85.1Confident121 Ų12180.4 Ų80.457%0.56543%0.425SS*.  trans-61.1139.3179.5-73-179.3170.100110.1I469 T472 P476I469-E474 HydrophobicContact CG2-CB 4.44Å; I469-E474 WeakPolarHBondContact CG2-O 3.45Å; T472-E474 PolarHBondContact O-N 3.12Å; T472-E474 VanDerWaalsContact O-N 3.1Å; T472-E474 WeakPolarHBondContact OG1-CB 3.42Å; T472-E474 WeakPolarHBondContact OG1-CG 3.39Å; T472-E474 PolarHBondContact OG1-N 3.38Å; E474-P476 WeakPolarHBondContact O-CD 2.83Å
475K84.3Confident85Confident122 Ų12280.8 Ų80.853%0.5343%0.431SS..  trans-124.378.3176.1-70.7170.1174.7-177.20108.6Y477 A485 F486K475-Y477 PolarHBondContact O-N 3.08Å; K475-Y477 VanDerWaalsContact O-N 3.13Å; K475-A485 HydrophobicContact CB-CB 3.41Å; K475-A485 VanDerWaalsContact CB-CB 3.41Å; K475-A485 HydrophobicContact CD-CB 4.01Å; K475-A485 WeakPolarHBondContact CD-O 3.36Å; K475-A485 HydrophobicContact CG-CB 4.33Å; K475-F486 CarbonylContact C-O 3.26Å; K475-F486 VanDerWaalsContact C-O 3.25Å; K475-F486 VanDerWaalsContact CA-O 3.27Å; K475-F486 WeakPolarHBondContact CA-O 3.27Å
476P83.7Confident84.9Confident74 Ų7478.3 Ų78.348%0.48141%0.413SS..  trans-63.8-22-172-21.533.6000113E474E474-P476 WeakPolarHBondContact O-CD 2.83Å
477Y86.1Confident84.9Confident87 Ų8777.3 Ų77.334%0.34141%0.405SS..EExtended strand (participates in β ladder)trans-101.492.4-170.8-55.8-78.5000110.4K475 A485 F486 N487K475-Y477 PolarHBondContact O-N 3.08Å; K475-Y477 VanDerWaalsContact O-N 3.13Å; Y477-A485 CarbonylContact O-C 3.54Å; Y477-A485 WeakPolarHBondContact O-CA 3.36Å; Y477-F486 WeakPolarHBondContact CB-O 3.47Å; Y477-F486 PolarHBondContact N-O 2.99Å; Y477-F486 VanDerWaalsContact N-O 3.13Å; Y477-F486 PolarHBondContact O-N 3.4Å; Y477-N487 WeakPolarHBondContact CE2-O 3.18Å
478K86.8Confident84.7Confident140 Ų14081.3 Ų81.361%0.60942%0.42SS*.EExtended strand (participates in β ladder)trans-87.5142.1177.1-65.2-176.9-178.6178.40111.6A485 L492K478-A485 HydrophobicContact CG-CB 3.85Å; K478-L492 WeakPolarHBondContact O-CD2 3.4Å
479C89.8Confident84.7Confident1 Ų178.5 Ų78.51%0.00741%0.412CS..  trans-88.9116.1169.6-178.90000108.9E481 C482 G483 K484 F486 L492 H499C479-E481 PolarHBondContact O-N 3.15Å; C479-C482 PolarHBondContact O-N 3.41Å; C479-C482 VanDerWaalsContact SG-SG 3.66Å; C479-G483 WeakPolarHBondContact O-CA 3.47Å; C479-G483 PolarHBondContact O-N 3.43Å; C479-K484 WeakPolarHBondContact CB-O 3.48Å; C479-K484 PolarHBondContact N-O 3.08Å; C479-F486 HydrophobicContact CB-CE2 4.31Å; C479-L492 HydrophobicContact CB-CD1 3.59Å; C479-H499 PolarHBondContact SG-NE2 2.86Å
480E87.3Confident84.6Confident168 Ų16880.1 Ų80.179%0.78543%0.426SS*.THydrogen-bonded Turntrans-62.1-30.9179.4-58.5-53.1137.900112.8
481E85.9Confident84.6Confident116 Ų11677.6 Ų77.654%0.54242%0.415SS..THydrogen-bonded Turntrans-78.1-26.3-175-66.9166.2-129.200113.9C479 H499C479-E481 PolarHBondContact O-N 3.15Å; E481-H499 WeakPolarHBondContact OE2-CB 3.43Å; E481-H499 IonicContact OE2-CD2 3.36Å; E481-H499 PolarHBondContact OE2-CD2 3.16Å; E481-H499 IonicContact OE2-CG 2.97Å
482C86.1Confident84.7Confident53 Ų5375.2 Ų75.236%0.35840%0.404SS..THydrogen-bonded Turntrans-136.55.7-176.774.80000114.6C479 K484 H495C479-C482 PolarHBondContact O-N 3.41Å; C479-C482 VanDerWaalsContact SG-SG 3.66Å; C482-K484 PolarHBondContact O-N 3.01Å; C482-K484 VanDerWaalsContact SG-CB 3.59Å; C482-H495 PolarHBondContact SG-NE2 3.45Å
483G84.8Confident84.9Confident58 Ų5875.8 Ų75.860%0.59841%0.408SS*.  trans67.5-4.3-178.300000115.4C479 A485C479-G483 WeakPolarHBondContact O-CA 3.47Å; C479-G483 PolarHBondContact O-N 3.43Å; G483-A485 PolarHBondContact O-N 2.85Å
484K85.8Confident85.1Confident131 Ų13179 Ų7957%0.5741%0.408SS*.  trans-67.8127.6-177.2-72.5-178.8-179.9174.80111C479 C482 F486C479-K484 WeakPolarHBondContact CB-O 3.48Å; C479-K484 PolarHBondContact N-O 3.08Å; C482-K484 PolarHBondContact O-N 3.01Å; C482-K484 VanDerWaalsContact SG-CB 3.59Å; K484-F486 HydrophobicContact CB-CE2 3.93Å; K484-F486 HydrophobicContact CB-CZ 4.05Å; K484-F486 WeakPolarHBondContact O-CE2 3.42Å
485A87.1Confident85.3Confident29 Ų2974.2 Ų74.224%0.2439%0.385CS..EExtended strand (participates in β ladder)trans-98.2142.6178.900000111.6K475 Y477 K478 G483K475-A485 HydrophobicContact CB-CB 3.41Å; K475-A485 VanDerWaalsContact CB-CB 3.41Å; K475-A485 HydrophobicContact CD-CB 4.01Å; K475-A485 WeakPolarHBondContact CD-O 3.36Å; K475-A485 HydrophobicContact CG-CB 4.33Å; Y477-A485 CarbonylContact O-C 3.54Å; Y477-A485 WeakPolarHBondContact O-CA 3.36Å; K478-A485 HydrophobicContact CG-CB 3.85Å; G483-A485 PolarHBondContact O-N 2.85Å
486F84.7Confident85.3Confident42 Ų4272.9 Ų72.918%0.18438%0.379CS..EExtended strand (participates in β ladder)trans-126.6152.6-179.6-58.6-88.6000110.8K475 Y477 C479 K484 L492 H495K475-F486 CarbonylContact C-O 3.26Å; K475-F486 VanDerWaalsContact C-O 3.25Å; K475-F486 VanDerWaalsContact CA-O 3.27Å; K475-F486 WeakPolarHBondContact CA-O 3.27Å; Y477-F486 WeakPolarHBondContact CB-O 3.47Å; Y477-F486 PolarHBondContact N-O 2.99Å; Y477-F486 VanDerWaalsContact N-O 3.13Å; Y477-F486 PolarHBondContact O-N 3.4Å; C479-F486 HydrophobicContact CB-CE2 4.31Å; K484-F486 HydrophobicContact CB-CE2 3.93Å; K484-F486 HydrophobicContact CB-CZ 4.05Å; K484-F486 WeakPolarHBondContact O-CE2 3.42Å; F486-L492 HydrophobicContact CB-CB 4.46Å; F486-L492 HydrophobicContact CD2-CB 4.03Å; F486-L492 HydrophobicContact CD2-CD1 3.82Å; F486-L492 HydrophobicContact CE2-CD1 4Å; F486-L492 HydrophobicContact CG-CB 4.43Å; F486-H495 HydrophobicContact CE1-CB 4.15Å; F486-H495 HydrophobicContact CE2-CB 3.9Å; F486-H495 AromaticContact CE2-CD2 3.47Å; F486-H495 VanDerWaalsContact CE2-CD2 3.47Å; F486-H495 WeakPolarHBondContact CE2-CD2 3.34Å; F486-H495 AromaticContact CE2-CG 3.62Å; F486-H495 HydrophobicContact CZ-CB 3.57Å; F486-H495 AromaticContact CZ-CD2 3.53Å; F486-H495 AromaticContact CZ-CG 3.24Å; F486-H495 AromaticContact CZ-ND1 3.59Å; F486-H495 AromaticContact CZ-NE2 3.99Å
487N83.6Confident85.3Confident43 Ų4370.9 Ų70.923%0.2337%0.365CS..SBendtrans-79.8-19.417758.9-10000113.2I469 Y477I469-N487 HydrophobicContact CG2-CB 4.1Å; Y477-N487 WeakPolarHBondContact CE2-O 3.18Å
488W82.6Confident85.1Confident104 Ų10471 Ų7139%0.39437%0.37SS..SBendtrans-131.8144.7-177.9-56.5-47.5000111.7I470 S490 T491 L492I470-W488 HydrophobicContact CD1-CZ2 4.35Å; W488-S490 VanDerWaalsContact C-N 3.33Å; W488-S490 PolarHBondContact O-N 3.1Å; W488-T491 HydrophobicContact CB-CG2 4.48Å; W488-T491 HydrophobicContact CE3-CG2 3.81Å; W488-T491 PolarHBondContact O-N 2.86Å; W488-T491 PolarHBondContact O-OG1 2.9Å; W488-L492 PolarHBondContact O-N 3.05Å
489S84.1Confident84.8Confident39 Ų3967.3 Ų67.327%0.27336%0.355SS..Hα-helixtrans-64-39.1176.258.30000112.2T491 L492 T493S489-T491 VanDerWaalsContact C-N 3.29Å; S489-T491 PolarHBondContact O-N 3.33Å; S489-L492 WeakPolarHBondContact O-CB 3.44Å; S489-L492 PolarHBondContact O-N 2.86Å; S489-L492 VanDerWaalsContact O-N 3.15Å; S489-T493 PolarHBondContact O-N 3.41Å; S489-T493 PolarHBondContact O-OG1 3.15Å; S489-T493 VanDerWaalsContact O-OG1 3.12Å
490S83.9Confident84Confident62 Ų6270.4 Ų70.443%0.43437%0.374SS..Hα-helixtrans-64.5-31.1-179.365.40000113.2W488 K494W488-S490 VanDerWaalsContact C-N 3.33Å; W488-S490 PolarHBondContact O-N 3.1Å; S490-K494 WeakPolarHBondContact O-CG 3.43Å; S490-K494 PolarHBondContact O-N 2.88Å; S490-K494 VanDerWaalsContact O-N 3.15Å
491T84.6Confident83.1Confident40 Ų4070.3 Ų70.325%0.24537%0.373CS..Hα-helixtrans-75.7-36.9174.449.40000111.2W488 S489 K494 H495W488-T491 HydrophobicContact CB-CG2 4.48Å; W488-T491 HydrophobicContact CE3-CG2 3.81Å; W488-T491 PolarHBondContact O-N 2.86Å; W488-T491 PolarHBondContact O-OG1 2.9Å; S489-T491 VanDerWaalsContact C-N 3.29Å; S489-T491 PolarHBondContact O-N 3.33Å; T491-K494 PolarHBondContact O-N 3.15Å; T491-H495 VanDerWaalsContact O-CB 3.27Å; T491-H495 WeakPolarHBondContact O-CB 3.43Å; T491-H495 PolarHBondContact O-N 3.33Å
492L86.9Confident82.7Confident20 Ų2070.6 Ų70.611%0.10538%0.375CS..Hα-helixtrans-60.4-46.5169.7175.263.1000111.5K478 C479 F486 W488 S489 K494 H495 K496K478-L492 WeakPolarHBondContact O-CD2 3.4Å; C479-L492 HydrophobicContact CB-CD1 3.59Å; F486-L492 HydrophobicContact CB-CB 4.46Å; F486-L492 HydrophobicContact CD2-CB 4.03Å; F486-L492 HydrophobicContact CD2-CD1 3.82Å; F486-L492 HydrophobicContact CE2-CD1 4Å; F486-L492 HydrophobicContact CG-CB 4.43Å; W488-L492 PolarHBondContact O-N 3.05Å; S489-L492 WeakPolarHBondContact O-CB 3.44Å; S489-L492 PolarHBondContact O-N 2.86Å; S489-L492 VanDerWaalsContact O-N 3.15Å; L492-K494 VanDerWaalsContact C-N 3.35Å; L492-K494 PolarHBondContact O-N 3.29Å; L492-H495 CarbonylContact O-C 3.25Å; L492-H495 WeakPolarHBondContact O-CA 3.48Å; L492-H495 WeakPolarHBondContact O-CB 3.43Å; L492-H495 PolarHBondContact O-N 2.81Å; L492-K496 HydrophobicContact CD1-CG 4.37Å; L492-K496 WeakPolarHBondContact O-CG 3.46Å; L492-K496 PolarHBondContact O-N 3.4Å
493T84.9Confident82.4Confident91 Ų9173.2 Ų73.256%0.55838%0.38SS*.Hα-helixtrans-58.9-45.6177.4-52.90000111.5S489 H495 K496S489-T493 PolarHBondContact O-N 3.41Å; S489-T493 PolarHBondContact O-OG1 3.15Å; S489-T493 VanDerWaalsContact O-OG1 3.12Å; T493-H495 VanDerWaalsContact C-N 3.26Å; T493-H495 PolarHBondContact O-N 3.41Å; T493-K496 PolarHBondContact O-N 3.46Å
494K83.7Confident82.3Confident119 Ų11974 Ų7452%0.51737%0.374SS..Hα-helixtrans-64.3-32.8175.3-71.5172.1-175.2175.30112.4S490 T491 L492S490-K494 WeakPolarHBondContact O-CG 3.43Å; S490-K494 PolarHBondContact O-N 2.88Å; S490-K494 VanDerWaalsContact O-N 3.15Å; T491-K494 PolarHBondContact O-N 3.15Å; L492-K494 VanDerWaalsContact C-N 3.35Å; L492-K494 PolarHBondContact O-N 3.29Å
495H85.6Confident82.3Confident20 Ų2071.9 Ų71.99%0.09336%0.364CS..Hα-helixtrans-69.6-39.9177175.768.5000112C482 F486 T491 L492 T493 I497 I498 H499C482-H495 PolarHBondContact SG-NE2 3.45Å; F486-H495 HydrophobicContact CE1-CB 4.15Å; F486-H495 HydrophobicContact CE2-CB 3.9Å; F486-H495 AromaticContact CE2-CD2 3.47Å; F486-H495 VanDerWaalsContact CE2-CD2 3.47Å; F486-H495 WeakPolarHBondContact CE2-CD2 3.34Å; F486-H495 AromaticContact CE2-CG 3.62Å; F486-H495 HydrophobicContact CZ-CB 3.57Å; F486-H495 AromaticContact CZ-CD2 3.53Å; F486-H495 AromaticContact CZ-CG 3.24Å; F486-H495 AromaticContact CZ-ND1 3.59Å; F486-H495 AromaticContact CZ-NE2 3.99Å; T491-H495 VanDerWaalsContact O-CB 3.27Å; T491-H495 WeakPolarHBondContact O-CB 3.43Å; T491-H495 PolarHBondContact O-N 3.33Å; L492-H495 CarbonylContact O-C 3.25Å; L492-H495 WeakPolarHBondContact O-CA 3.48Å; L492-H495 WeakPolarHBondContact O-CB 3.43Å; L492-H495 PolarHBondContact O-N 2.81Å; T493-H495 VanDerWaalsContact C-N 3.26Å; T493-H495 PolarHBondContact O-N 3.41Å; H495-I497 PolarHBondContact O-N 2.84Å; H495-I498 WeakPolarHBondContact O-CB 3.25Å; H495-I498 WeakPolarHBondContact O-CG1 3.48Å; H495-I498 PolarHBondContact O-N 3.29Å; H495-H499 AromaticContact CD2-NE2 3.89Å; H495-H499 AromaticContact NE2-CE1 3.77Å; H495-H499 AromaticContact NE2-NE2 3.26Å; H495-H499 PolarHBondContact NE2-NE2 3.35Å
496K83.9Confident82.2Confident93 Ų9377.8 Ų77.840%0.40438%0.384SS..Hα-helixtrans-57.1-32.1177.9-72.3-172.9175.4-164.60113.2L492 T493 I498 H499 T500L492-K496 HydrophobicContact CD1-CG 4.37Å; L492-K496 WeakPolarHBondContact O-CG 3.46Å; L492-K496 PolarHBondContact O-N 3.4Å; T493-K496 PolarHBondContact O-N 3.46Å; K496-I498 PolarHBondContact O-N 2.95Å; K496-I498 VanDerWaalsContact O-N 3.1Å; K496-H499 PolarHBondContact O-N 3.31Å; K496-T500 PolarHBondContact O-N 3.15Å
497I83.6Confident82.5Confident33 Ų3375.9 Ų75.917%0.16938%0.375CS..Hα-helixtrans-60.5-21.6174.3-54.3170.9000112.1H495 H499 E502 K515H495-I497 PolarHBondContact O-N 2.84Å; I497-H499 VanDerWaalsContact C-N 3.3Å; I497-E502 WeakPolarHBondContact CG2-O 3.38Å; I497-K515 HydrophobicContact CG2-CB 4.06Å; I497-K515 HydrophobicContact CG2-CG 4.42Å
498I81.2Confident82.6Confident88 Ų8882.5 Ų82.545%0.45141%0.405SS..Hα-helixtrans-66.8-38.5175.7-60.1179.2000110.4H495 K496 K515H495-I498 WeakPolarHBondContact O-CB 3.25Å; H495-I498 WeakPolarHBondContact O-CG1 3.48Å; H495-I498 PolarHBondContact O-N 3.29Å; K496-I498 PolarHBondContact O-N 2.95Å; K496-I498 VanDerWaalsContact O-N 3.1Å; I498-K515 PolarHBondContact O-NZ 2.83Å
499H80.5Confident82.7Confident63 Ų6384.8 Ų84.829%0.29242%0.418SS..Hα-helixtrans-81.9-33-176.2-56-47.5000113.2C479 E481 H495 K496 I497 E501C479-H499 PolarHBondContact SG-NE2 2.86Å; E481-H499 WeakPolarHBondContact OE2-CB 3.43Å; E481-H499 IonicContact OE2-CD2 3.36Å; E481-H499 PolarHBondContact OE2-CD2 3.16Å; E481-H499 IonicContact OE2-CG 2.97Å; H495-H499 AromaticContact CD2-NE2 3.89Å; H495-H499 AromaticContact NE2-CE1 3.77Å; H495-H499 AromaticContact NE2-NE2 3.26Å; H495-H499 PolarHBondContact NE2-NE2 3.35Å; K496-H499 PolarHBondContact O-N 3.31Å; I497-H499 VanDerWaalsContact C-N 3.3Å; H499-E501 PolarHBondContact O-N 2.8Å; H499-E501 VanDerWaalsContact O-N 3.1Å
500T73.8Confident82.8Confident67 Ų6785.3 Ų85.341%0.41142%0.421SS..THydrogen-bonded Turntrans-75.12.5-175.7580000114.6K496 E502K496-T500 PolarHBondContact O-N 3.15Å; T500-E502 WeakPolarHBondContact O-CG 3.22Å; T500-E502 PolarHBondContact O-N 3.43Å
501E68.2Low82.8Confident165 Ų16585.1 Ų85.177%0.77143%0.429SS*.  trans49.8-7.8-168.4-65.4-156.515500116.6H499 K503H499-E501 PolarHBondContact O-N 2.8Å; H499-E501 VanDerWaalsContact O-N 3.1Å; E501-K503 PolarHBondContact O-N 3.1Å
502E76.8Confident82.9Confident122 Ų12289.4 Ų89.457%0.5744%0.444SS*.  trans-58.8132.1179.4-70.4-178165.500109.8I497 T500 P504I497-E502 WeakPolarHBondContact CG2-O 3.38Å; T500-E502 WeakPolarHBondContact O-CG 3.22Å; T500-E502 PolarHBondContact O-N 3.43Å; E502-P504 WeakPolarHBondContact O-CD 3.21Å
503K80.8Confident82.9Confident109 Ų10989.9 Ų89.947%0.47445%0.451SS..  trans-119.179.8172.7-68.6170.8-176.4173.40107.5E501 Y505 A513 F514 K515E501-K503 PolarHBondContact O-N 3.1Å; K503-Y505 PolarHBondContact O-N 3.22Å; K503-Y505 VanDerWaalsContact O-N 3.09Å; K503-A513 HydrophobicContact CB-CB 3.39Å; K503-A513 HydrophobicContact CD-CB 3.93Å; K503-A513 HydrophobicContact CG-CB 4.28Å; K503-F514 CarbonylContact C-O 3.27Å; K503-F514 WeakPolarHBondContact CA-O 3.47Å; K503-K515 HydrophobicContact CG-CG 3.99Å
504P82.3Confident82.9Confident73 Ų7387.4 Ų87.447%0.47443%0.432SS..  trans-62.8-22.8-171.2-21.132.7000112.8E502 K506E502-P504 WeakPolarHBondContact O-CD 3.21Å; P504-K506 PolarHBondContact O-N 3.24Å
505Y84.8Confident82.9Confident88 Ų8885 Ų8535%0.34542%0.422SS..EExtended strand (participates in β ladder)trans-101.790.9-171.1-55-75.4000110.7K503 A513 F514K503-Y505 PolarHBondContact O-N 3.22Å; K503-Y505 VanDerWaalsContact O-N 3.09Å; Y505-A513 CarbonylContact O-C 3.55Å; Y505-A513 WeakPolarHBondContact O-CA 3.27Å; Y505-F514 WeakPolarHBondContact CB-O 3.46Å; Y505-F514 WeakPolarHBondContact CD2-O 3.35Å; Y505-F514 PolarHBondContact N-O 3.07Å; Y505-F514 PolarHBondContact O-N 3.25Å
506K86.3Confident82.7Confident152 Ų15288 Ų8866%0.66144%0.436SS*.EExtended strand (participates in β ladder)trans-88.5139.9178.3-66.3-177.9174.7176.80112.1P504 A513P504-K506 PolarHBondContact O-N 3.24Å; K506-A513 HydrophobicContact CG-CB 3.79Å
507C90.1Very high82.8Confident2 Ų286.4 Ų86.41%0.01444%0.437CS..  trans-87.5117.4170.2-174.40000109.9K509 C510 G511 K512 F514 L520C507-K509 VanDerWaalsContact C-N 3.29Å; C507-K509 PolarHBondContact O-N 3.28Å; C507-C510 VanDerWaalsContact SG-SG 3.67Å; C507-G511 VanDerWaalsContact O-CA 3.25Å; C507-G511 WeakPolarHBondContact O-CA 3.35Å; C507-G511 PolarHBondContact O-N 3.11Å; C507-K512 WeakPolarHBondContact CB-O 3.45Å; C507-K512 PolarHBondContact N-O 3.31Å; C507-F514 HydrophobicContact CB-CE2 4.32Å; C507-L520 HydrophobicContact CB-CD1 3.65Å
508E86.9Confident82.9Confident182 Ų18287.6 Ų87.685%0.8545%0.448SS*.THydrogen-bonded Turntrans-62.7-33.1179.4-68.5166.3-173.700113
509K83.6Confident83Confident152 Ų15286.6 Ų86.666%0.66144%0.443SS*.THydrogen-bonded Turntrans-74.5-30.4-176.5-72.3-169.8174.2-170.80114.6C507 H527C507-K509 VanDerWaalsContact C-N 3.29Å; C507-K509 PolarHBondContact O-N 3.28Å; K509-H527 HydrophobicContact CD-CB 3.74Å
510C86.9Confident83.4Confident51 Ų5184.4 Ų84.435%0.34543%0.433SS..THydrogen-bonded Turntrans-134.97.1-173.170.50000114.1C507 K512 H523 H527C507-C510 VanDerWaalsContact SG-SG 3.67Å; C510-K512 PolarHBondContact O-N 2.81Å; C510-H523 PolarHBondContact SG-NE2 3.26Å; C510-H527 PolarHBondContact SG-NE2 3.46Å; C510-H527 VanDerWaalsContact SG-NE2 3.39Å
511G83.9Confident84Confident58 Ų5884.9 Ų84.960%0.59844%0.436SS*.  trans68.4-9.3-179.200000115.7C507 A513C507-G511 VanDerWaalsContact O-CA 3.25Å; C507-G511 WeakPolarHBondContact O-CA 3.35Å; C507-G511 PolarHBondContact O-N 3.11Å; G511-A513 PolarHBondContact O-N 3.47Å
512K86.4Confident84.8Confident130 Ų13079 Ų7957%0.56541%0.409SS*.  trans-65.1128-176.4-70-175.5179179.10111.2C507 C510 F514C507-K512 WeakPolarHBondContact CB-O 3.45Å; C507-K512 PolarHBondContact N-O 3.31Å; C510-K512 PolarHBondContact O-N 2.81Å; K512-F514 HydrophobicContact CB-CE2 4.03Å; K512-F514 HydrophobicContact CB-CZ 3.96Å; K512-F514 WeakPolarHBondContact O-CE2 3.49Å
513A87.1Confident85.3Confident29 Ų2974.1 Ų74.124%0.2439%0.387CS..EExtended strand (participates in β ladder)trans-101.5144.6179.900000111.6K503 Y505 K506 G511K503-A513 HydrophobicContact CB-CB 3.39Å; K503-A513 HydrophobicContact CD-CB 3.93Å; K503-A513 HydrophobicContact CG-CB 4.28Å; Y505-A513 CarbonylContact O-C 3.55Å; Y505-A513 WeakPolarHBondContact O-CA 3.27Å; K506-A513 HydrophobicContact CG-CB 3.79Å; G511-A513 PolarHBondContact O-N 3.47Å
514F84.7Confident85.6Confident39 Ų3973.4 Ų73.417%0.17138%0.384CS..EExtended strand (participates in β ladder)trans-128.8151.6-177.9-57.1-83.1000111.3K503 Y505 C507 K512 Q516 I519 L520 H523K503-F514 CarbonylContact C-O 3.27Å; K503-F514 WeakPolarHBondContact CA-O 3.47Å; Y505-F514 WeakPolarHBondContact CB-O 3.46Å; Y505-F514 WeakPolarHBondContact CD2-O 3.35Å; Y505-F514 PolarHBondContact N-O 3.07Å; Y505-F514 PolarHBondContact O-N 3.25Å; C507-F514 HydrophobicContact CB-CE2 4.32Å; K512-F514 HydrophobicContact CB-CE2 4.03Å; K512-F514 HydrophobicContact CB-CZ 3.96Å; K512-F514 WeakPolarHBondContact O-CE2 3.49Å; F514-Q516 VanDerWaalsContact C-N 3.33Å; F514-I519 HydrophobicContact CB-CB 4.44Å; F514-I519 HydrophobicContact CB-CG2 4.36Å; F514-I519 HydrophobicContact CD1-CB 4.39Å; F514-I519 HydrophobicContact CD1-CG2 3.46Å; F514-I519 VanDerWaalsContact CD1-CG2 3.46Å; F514-I519 HydrophobicContact CE1-CG2 4.02Å; F514-I519 HydrophobicContact CG-CG2 4.07Å; F514-L520 HydrophobicContact CB-CB 4.49Å; F514-L520 HydrophobicContact CD2-CB 3.95Å; F514-L520 HydrophobicContact CD2-CD1 3.79Å; F514-L520 HydrophobicContact CD2-CG 4.48Å; F514-L520 HydrophobicContact CE2-CD1 3.95Å; F514-L520 HydrophobicContact CG-CB 4.48Å; F514-H523 HydrophobicContact CE1-CB 4.25Å; F514-H523 HydrophobicContact CE2-CB 3.82Å; F514-H523 AromaticContact CE2-CD2 3.49Å; F514-H523 VanDerWaalsContact CE2-CD2 3.49Å; F514-H523 WeakPolarHBondContact CE2-CD2 3.23Å; F514-H523 AromaticContact CE2-CG 3.59Å; F514-H523 HydrophobicContact CZ-CB 3.58Å; F514-H523 AromaticContact CZ-CD2 3.55Å; F514-H523 AromaticContact CZ-CG 3.25Å; F514-H523 AromaticContact CZ-ND1 3.61Å
515K82.8Confident85.8Confident70 Ų7072.2 Ų72.230%0.30437%0.37SS..SBendtrans-78.8-14.3177.3-61.9-168.1175.7-169.30113.4I497 I498 K503I497-K515 HydrophobicContact CG2-CB 4.06Å; I497-K515 HydrophobicContact CG2-CG 4.42Å; I498-K515 PolarHBondContact O-NZ 2.83Å; K503-K515 HydrophobicContact CG-CG 3.99Å
516Q82.9Confident85.9Confident82 Ų8272.7 Ų72.738%0.38338%0.377SS..SBendtrans-138.9142-177.9-66.4-176.70.900111.9F514 S518 I519 L520F514-Q516 VanDerWaalsContact C-N 3.33Å; Q516-S518 PolarHBondContact O-N 2.77Å; Q516-I519 HydrophobicContact CB-CG1 4.04Å; Q516-I519 PolarHBondContact O-N 3.13Å; Q516-L520 PolarHBondContact O-N 2.96Å
517S84.9Confident85.8Confident60 Ų6068.8 Ų68.842%0.4236%0.361SS..Hα-helixtrans-62.1-40.5178.859.50000113I519 L520 T521S517-I519 VanDerWaalsContact C-N 3.25Å; S517-I519 PolarHBondContact O-N 3.33Å; S517-L520 WeakPolarHBondContact O-CB 3.47Å; S517-L520 PolarHBondContact O-N 3.37Å; S517-L520 VanDerWaalsContact O-N 3.11Å; S517-T521 PolarHBondContact O-N 3.09Å; S517-T521 PolarHBondContact O-OG1 3.44Å
518S85.1Confident85.5Confident58 Ų5872.1 Ų72.141%0.40638%0.382SS..Hα-helixtrans-60.4-35.1178.659.20000112.6Q516 N522Q516-S518 PolarHBondContact O-N 2.77Å; S518-N522 WeakPolarHBondContact O-CB 3.05Å; S518-N522 PolarHBondContact O-N 3.39Å; S518-N522 PolarHBondContact O-ND2 3.13Å; S518-N522 VanDerWaalsContact O-ND2 3.16Å
519I84.6Confident85.3Confident67 Ų6766 Ų6634%0.34437%0.367SS..Hα-helixtrans-71.9-41.2176.4-56.6-60.2000110.3F514 Q516 S517 N522 H523F514-I519 HydrophobicContact CB-CB 4.44Å; F514-I519 HydrophobicContact CB-CG2 4.36Å; F514-I519 HydrophobicContact CD1-CB 4.39Å; F514-I519 HydrophobicContact CD1-CG2 3.46Å; F514-I519 VanDerWaalsContact CD1-CG2 3.46Å; F514-I519 HydrophobicContact CE1-CG2 4.02Å; F514-I519 HydrophobicContact CG-CG2 4.07Å; Q516-I519 HydrophobicContact CB-CG1 4.04Å; Q516-I519 PolarHBondContact O-N 3.13Å; S517-I519 VanDerWaalsContact C-N 3.25Å; S517-I519 PolarHBondContact O-N 3.33Å; I519-N522 PolarHBondContact O-N 2.89Å; I519-H523 VanDerWaalsContact O-CB 3.29Å; I519-H523 WeakPolarHBondContact O-CB 3.48Å; I519-H523 PolarHBondContact O-N 3.47Å
520L87.6Confident85.4Confident17 Ų1763.9 Ų63.99%0.08936%0.359CS..Hα-helixtrans-59.8-45.5172.5173.963.3000111.2C507 F514 Q516 S517 N522 H523 K524C507-L520 HydrophobicContact CB-CD1 3.65Å; F514-L520 HydrophobicContact CB-CB 4.49Å; F514-L520 HydrophobicContact CD2-CB 3.95Å; F514-L520 HydrophobicContact CD2-CD1 3.79Å; F514-L520 HydrophobicContact CD2-CG 4.48Å; F514-L520 HydrophobicContact CE2-CD1 3.95Å; F514-L520 HydrophobicContact CG-CB 4.48Å; Q516-L520 PolarHBondContact O-N 2.96Å; S517-L520 WeakPolarHBondContact O-CB 3.47Å; S517-L520 PolarHBondContact O-N 3.37Å; S517-L520 VanDerWaalsContact O-N 3.11Å; L520-N522 PolarHBondContact O-N 2.79Å; L520-H523 CarbonylContact O-C 3.55Å; L520-H523 WeakPolarHBondContact O-CB 3.38Å; L520-H523 PolarHBondContact O-N 3.33Å; L520-H523 VanDerWaalsContact O-N 3.12Å; L520-K524 HydrophobicContact CD1-CG 4.25Å; L520-K524 WeakPolarHBondContact O-CG 3.38Å; L520-K524 PolarHBondContact O-N 3.08Å
521T86.5Confident85.3Confident77 Ų7767.3 Ų67.347%0.47237%0.369SS..Hα-helixtrans-59.9-46.2177.2-56.80000111.5S517 H523 K524 R525S517-T521 PolarHBondContact O-N 3.09Å; S517-T521 PolarHBondContact O-OG1 3.44Å; T521-H523 VanDerWaalsContact C-N 3.28Å; T521-H523 PolarHBondContact O-N 3.25Å; T521-K524 PolarHBondContact O-N 3.11Å; T521-R525 PolarHBondContact O-N 2.86Å
522N85.8Confident85.5Confident40 Ų4068.1 Ų68.121%0.21436%0.363CS..Hα-helixtrans-64.9-32.5175.4-74.4-35000112.7S518 I519 L520S518-N522 WeakPolarHBondContact O-CB 3.05Å; S518-N522 PolarHBondContact O-N 3.39Å; S518-N522 PolarHBondContact O-ND2 3.13Å; S518-N522 VanDerWaalsContact O-ND2 3.16Å; I519-N522 PolarHBondContact O-N 2.89Å; L520-N522 PolarHBondContact O-N 2.79Å
523H87.7Confident85.5Confident21 Ų2165.3 Ų65.310%0.09735%0.35CS..Hα-helixtrans-70-40.6174.8176.271.4000111.7C510 F514 I519 L520 T521 R525 I526 H527C510-H523 PolarHBondContact SG-NE2 3.26Å; F514-H523 HydrophobicContact CE1-CB 4.25Å; F514-H523 HydrophobicContact CE2-CB 3.82Å; F514-H523 AromaticContact CE2-CD2 3.49Å; F514-H523 VanDerWaalsContact CE2-CD2 3.49Å; F514-H523 WeakPolarHBondContact CE2-CD2 3.23Å; F514-H523 AromaticContact CE2-CG 3.59Å; F514-H523 HydrophobicContact CZ-CB 3.58Å; F514-H523 AromaticContact CZ-CD2 3.55Å; F514-H523 AromaticContact CZ-CG 3.25Å; F514-H523 AromaticContact CZ-ND1 3.61Å; I519-H523 VanDerWaalsContact O-CB 3.29Å; I519-H523 WeakPolarHBondContact O-CB 3.48Å; I519-H523 PolarHBondContact O-N 3.47Å; L520-H523 CarbonylContact O-C 3.55Å; L520-H523 WeakPolarHBondContact O-CB 3.38Å; L520-H523 PolarHBondContact O-N 3.33Å; L520-H523 VanDerWaalsContact O-N 3.12Å; T521-H523 VanDerWaalsContact C-N 3.28Å; T521-H523 PolarHBondContact O-N 3.25Å; H523-R525 PolarHBondContact O-N 3.5Å; H523-I526 VanDerWaalsContact O-CB 3.27Å; H523-I526 WeakPolarHBondContact O-CB 3.37Å; H523-I526 WeakPolarHBondContact O-CG1 3.37Å; H523-I526 PolarHBondContact O-N 2.82Å; H523-H527 AromaticContact CD2-NE2 3.74Å; H523-H527 AromaticContact CE1-NE2 3.77Å; H523-H527 AromaticContact NE2-CD2 3.88Å; H523-H527 AromaticContact NE2-CE1 3.88Å; H523-H527 AromaticContact NE2-NE2 3.04Å; H523-H527 PolarHBondContact NE2-NE2 3.5Å
524K86.6Confident85.6Confident94 Ų9469.1 Ų69.141%0.40936%0.361SS..Hα-helixtrans-56.5-32.6175.9-75.4-175.7176.7-169.90112.1L520 T521 I526 H527 T528L520-K524 HydrophobicContact CD1-CG 4.25Å; L520-K524 WeakPolarHBondContact O-CG 3.38Å; L520-K524 PolarHBondContact O-N 3.08Å; T521-K524 PolarHBondContact O-N 3.11Å; K524-I526 PolarHBondContact O-N 2.85Å; K524-H527 WeakPolarHBondContact O-CB 3.47Å; K524-H527 PolarHBondContact O-N 2.77Å; K524-T528 PolarHBondContact O-N 3.17Å; K524-T528 PolarHBondContact O-OG1 3.46Å
525R87.3Confident85.8Confident48 Ų4867.3 Ų67.318%0.18135%0.353CS..Hα-helixtrans-62.4-22.5174.5-65.2179.7-179.3176.2-1.1114.5T521 H523 H527 T528 G529 E530 N543T521-R525 PolarHBondContact O-N 2.86Å; H523-R525 PolarHBondContact O-N 3.5Å; R525-H527 VanDerWaalsContact C-N 3.35Å; R525-T528 WeakPolarHBondContact CA-OG1 3.4Å; R525-G529 WeakPolarHBondContact O-CA 3.36Å; R525-G529 PolarHBondContact O-N 3.15Å; R525-E530 HydrophobicContact CB-CB 4.48Å; R525-E530 HydrophobicContact CG-CB 4.36Å; R525-E530 PolarHBondContact O-N 2.99Å; R525-N543 HydrophobicContact CB-CB 4.48Å; R525-N543 PolarHBondContact NH1-O 2.82Å
526I85.5Confident86.1Confident97 Ų9771.1 Ų71.150%0.49737%0.372SS..Hα-helixtrans-69.9-38.6174.4-56.5174.7000109.8H523 K524H523-I526 VanDerWaalsContact O-CB 3.27Å; H523-I526 WeakPolarHBondContact O-CB 3.37Å; H523-I526 WeakPolarHBondContact O-CG1 3.37Å; H523-I526 PolarHBondContact O-N 2.82Å; K524-I526 PolarHBondContact O-N 2.85Å
527H85.1Confident86.2Confident70 Ų7073.9 Ų73.932%0.32439%0.385SS..Hα-helixtrans-75.3-30179.1-61.3-55.4000113.4K509 C510 H523 K524 R525K509-H527 HydrophobicContact CD-CB 3.74Å; C510-H527 PolarHBondContact SG-NE2 3.46Å; C510-H527 VanDerWaalsContact SG-NE2 3.39Å; H523-H527 AromaticContact CD2-NE2 3.74Å; H523-H527 AromaticContact CE1-NE2 3.77Å; H523-H527 AromaticContact NE2-CD2 3.88Å; H523-H527 AromaticContact NE2-CE1 3.88Å; H523-H527 AromaticContact NE2-NE2 3.04Å; H523-H527 PolarHBondContact NE2-NE2 3.5Å; K524-H527 WeakPolarHBondContact O-CB 3.47Å; K524-H527 PolarHBondContact O-N 2.77Å; R525-H527 VanDerWaalsContact C-N 3.35Å
528T84Confident86.3Confident73 Ų7373.4 Ų73.445%0.44838%0.381SS..Hα-helixtrans-90.9-12.2178.858.40000112.9K524 R525 E530K524-T528 PolarHBondContact O-N 3.17Å; K524-T528 PolarHBondContact O-OG1 3.46Å; R525-T528 WeakPolarHBondContact CA-OG1 3.4Å; T528-E530 PolarHBondContact O-N 3.32Å; T528-E530 WeakPolarHBondContact OG1-CG 3.31Å
529G82.6Confident86.3Confident52 Ų5272.7 Ų72.754%0.53638%0.382SS..  trans69.44.3-173.600000114.1R525 K531R525-G529 WeakPolarHBondContact O-CA 3.36Å; R525-G529 PolarHBondContact O-N 3.15Å; G529-K531 PolarHBondContact O-N 3.47Å
530E84.7Confident86.4Confident108 Ų10875.4 Ų75.451%0.50539%0.392SS..  trans-60.9122.2-178.5-77175.5-167.700111.4R525 T528 P532R525-E530 HydrophobicContact CB-CB 4.48Å; R525-E530 HydrophobicContact CG-CB 4.36Å; R525-E530 PolarHBondContact O-N 2.99Å; T528-E530 PolarHBondContact O-N 3.32Å; T528-E530 WeakPolarHBondContact OG1-CG 3.31Å; E530-P532 WeakPolarHBondContact O-CD 3.35Å
531K86Confident86.5Confident124 Ų12476.7 Ų76.754%0.53940%0.402SS..  trans-123.677.6175.6-70.1169.7172.2-176.90110G529 Y533 S541 F542 N543G529-K531 PolarHBondContact O-N 3.47Å; K531-Y533 PolarHBondContact O-N 3.07Å; K531-Y533 VanDerWaalsContact O-N 3.1Å; K531-S541 WeakPolarHBondContact CD-O 3.23Å; K531-F542 CarbonylContact C-O 3.55Å; K531-F542 VanDerWaalsContact C-O 3.27Å; K531-F542 VanDerWaalsContact CA-O 3.28Å; K531-F542 WeakPolarHBondContact CA-O 3.49Å; K531-N543 HydrophobicContact CG-CB 4.41Å
532P87.1Confident86.5Confident74 Ų7475 Ų7548%0.48139%0.388SS..  trans-65.9-15.7-171.8-21.434000114.5E530E530-P532 WeakPolarHBondContact O-CD 3.35Å
533Y88.1Confident86.4Confident72 Ų7275.4 Ų75.428%0.28239%0.39SS..EExtended strand (participates in β ladder)trans-105.692.6-174.3-52.5-76.3000109.9K531 S541 F542 F548K531-Y533 PolarHBondContact O-N 3.07Å; K531-Y533 VanDerWaalsContact O-N 3.1Å; Y533-S541 CarbonylContact O-C 3.53Å; Y533-S541 WeakPolarHBondContact O-CA 3.32Å; Y533-F542 WeakPolarHBondContact CD2-O 3.23Å; Y533-F542 PolarHBondContact N-O 3.44Å; Y533-F542 PolarHBondContact O-N 2.96Å; Y533-F548 HydrophobicContact CD1-CD1 4.44Å; Y533-F548 HydrophobicContact CG-CB 4.36Å
534K87.4Confident86.3Confident108 Ų10879.3 Ų79.347%0.4740%0.404SS..EExtended strand (participates in β ladder)trans-91137176.3-170.7-178.5177.7-155.90110.7E536 F548K534-E536 IonicContact NZ-OE2 3.22Å; K534-F548 VanDerWaalsContact O-CE2 3.23Å; K534-F548 WeakPolarHBondContact O-CE2 3.42Å; K534-F548 VanDerWaalsContact O-CZ 3.23Å; K534-F548 WeakPolarHBondContact O-CZ 3.31Å
535C90.4Very high86.3Confident1 Ų177.5 Ų77.51%0.00740%0.403CS..  trans-88.1118.3168.7-179.30000109.1E537 G539 K540 F548 H555C535-E537 VanDerWaalsContact C-N 3.33Å; C535-G539 CarbonylContact O-C 3.55Å; C535-G539 WeakPolarHBondContact O-CA 3.38Å; C535-G539 PolarHBondContact O-N 3.31Å; C535-K540 VanDerWaalsContact CB-O 3.32Å; C535-K540 WeakPolarHBondContact CB-O 3.39Å; C535-K540 PolarHBondContact N-O 3.43Å; C535-F548 HydrophobicContact CB-CE2 3.87Å; C535-H555 PolarHBondContact SG-NE2 3.43Å
536E87.9Confident86.2Confident150 Ų15078.7 Ų78.770%0.70142%0.419SS*.THydrogen-bonded Turntrans-71.3-30.1177.6-58.6-50.7139.900112K534 C538K534-E536 IonicContact NZ-OE2 3.22Å; E536-C538 PolarHBondContact O-N 3.36Å
537E85.8Confident86.3Confident140 Ų14076.5 Ų76.565%0.65441%0.41SS*.THydrogen-bonded Turntrans-71.4-27.9-178.4-67.1166-178.600113.8C535 H555C535-E537 VanDerWaalsContact C-N 3.33Å; E537-H555 WeakPolarHBondContact OE2-CB 3.44Å; E537-H555 IonicContact OE2-CD2 2.9Å; E537-H555 PolarHBondContact OE2-CD2 2.98Å; E537-H555 IonicContact OE2-CG 3.02Å; E537-H555 IonicContact OE2-NE2 3.95Å
538C87.4Confident86.4Confident51 Ų5174.4 Ų74.435%0.34540%0.4SS..THydrogen-bonded Turntrans-137.89.4-178.773.60000114.8E536 K540 H551 H555E536-C538 PolarHBondContact O-N 3.36Å; C538-K540 PolarHBondContact O-N 2.94Å; C538-H551 PolarHBondContact SG-CE1 3.14Å; C538-H551 PolarHBondContact SG-NE2 3.16Å; C538-H555 VanDerWaalsContact SG-CE1 3.59Å; C538-H555 PolarHBondContact SG-NE2 3.48Å; C538-H555 VanDerWaalsContact SG-NE2 3.38Å
539G84.7Confident86.4Confident42 Ų4274.7 Ų74.743%0.43340%0.402SS..  trans68.5-5.3179.500000116.1C535 S541C535-G539 CarbonylContact O-C 3.55Å; C535-G539 WeakPolarHBondContact O-CA 3.38Å; C535-G539 PolarHBondContact O-N 3.31Å; G539-S541 PolarHBondContact O-N 3.45Å
540K87.4Confident86.5Confident125 Ų12578.1 Ų78.154%0.54340%0.402SS..  trans-70.1129.4-176.2-69.1179.6-177.41750111.7C535 C538 F542C535-K540 VanDerWaalsContact CB-O 3.32Å; C535-K540 WeakPolarHBondContact CB-O 3.39Å; C535-K540 PolarHBondContact N-O 3.43Å; C538-K540 PolarHBondContact O-N 2.94Å; K540-F542 HydrophobicContact CB-CE2 3.88Å; K540-F542 HydrophobicContact CB-CZ 3.96Å; K540-F542 WeakPolarHBondContact O-CE2 3.11Å
541S88.3Confident86.6Confident43 Ų4373.8 Ų73.830%0.30138%0.382SS..EExtended strand (participates in β ladder)trans-107.4141.5177.8-52.40000112.6K531 Y533 G539K531-S541 WeakPolarHBondContact CD-O 3.23Å; Y533-S541 CarbonylContact O-C 3.53Å; Y533-S541 WeakPolarHBondContact O-CA 3.32Å; G539-S541 PolarHBondContact O-N 3.45Å
542F86.9Confident86.5Confident43 Ų4372.8 Ų72.819%0.18938%0.377CS..EExtended strand (participates in β ladder)trans-124.9148.9-176.1-55.7-93.5000111.2K531 Y533 K540 F548 H551K531-F542 CarbonylContact C-O 3.55Å; K531-F542 VanDerWaalsContact C-O 3.27Å; K531-F542 VanDerWaalsContact CA-O 3.28Å; K531-F542 WeakPolarHBondContact CA-O 3.49Å; Y533-F542 WeakPolarHBondContact CD2-O 3.23Å; Y533-F542 PolarHBondContact N-O 3.44Å; Y533-F542 PolarHBondContact O-N 2.96Å; K540-F542 HydrophobicContact CB-CE2 3.88Å; K540-F542 HydrophobicContact CB-CZ 3.96Å; K540-F542 WeakPolarHBondContact O-CE2 3.11Å; F542-F548 HydrophobicContact CB-CB 4.15Å; F542-F548 HydrophobicContact CD2-CB 4.03Å; F542-F548 AromaticContact CD2-CD2 3.71Å; F542-F548 HydrophobicContact CD2-CD2 3.71Å; F542-F548 HydrophobicContact CD2-CG 4.36Å; F542-F548 HydrophobicContact CE2-CD2 4.08Å; F542-F548 HydrophobicContact CG-CB 4.21Å; F542-H551 HydrophobicContact CE1-CB 4.04Å; F542-H551 HydrophobicContact CE2-CB 3.97Å; F542-H551 AromaticContact CE2-CD2 3.31Å; F542-H551 WeakPolarHBondContact CE2-CD2 3.21Å; F542-H551 AromaticContact CE2-CG 3.64Å; F542-H551 AromaticContact CE2-NE2 3.93Å; F542-H551 HydrophobicContact CZ-CB 3.52Å; F542-H551 AromaticContact CZ-CD2 3.4Å; F542-H551 VanDerWaalsContact CZ-CD2 3.4Å; F542-H551 WeakPolarHBondContact CZ-CD2 3.38Å; F542-H551 AromaticContact CZ-CG 3.24Å; F542-H551 AromaticContact CZ-ND1 3.74Å; F542-H551 AromaticContact CZ-NE2 3.92Å
543N84.6Confident86.4Confident48 Ų4871.3 Ų71.326%0.25737%0.367SS..SBendtrans-86.2-15.3178.559.916.2000113.6R525 K531R525-N543 HydrophobicContact CB-CB 4.48Å; R525-N543 PolarHBondContact NH1-O 2.82Å; K531-N543 HydrophobicContact CG-CB 4.41Å
544R85.3Confident86.2Confident103 Ų10371.3 Ų71.339%0.38937%0.371SS..SBendtrans-125.9140179.9-67.5172.7-176.3-170.71110.9S546 T547 F548R544-S546 PolarHBondContact O-N 3Å; R544-T547 HydrophobicContact CB-CG2 4.39Å; R544-T547 PolarHBondContact O-N 2.92Å; R544-T547 PolarHBondContact O-OG1 3.34Å; R544-F548 PolarHBondContact O-N 2.89Å
545S86.1Confident86Confident55 Ų5569.6 Ų69.639%0.38537%0.365SS..Hα-helixtrans-63.9-41176.7172.80000111.6T547 F548 T549S545-T547 VanDerWaalsContact C-N 3.33Å; S545-T547 PolarHBondContact O-N 3.45Å; S545-F548 WeakPolarHBondContact O-CA 3.48Å; S545-F548 WeakPolarHBondContact O-CB 3.44Å; S545-F548 PolarHBondContact O-N 3.1Å; S545-F548 VanDerWaalsContact O-N 3.08Å; S545-T549 PolarHBondContact O-N 3.11Å; S545-T549 PolarHBondContact O-OG1 2.96Å; S545-T549 VanDerWaalsContact O-OG1 3.11Å
546S85.9Confident85.5Confident73 Ų7373.7 Ų73.751%0.5139%0.39SS..Hα-helixtrans-63.2-36-17956.40000113.6R544 K550R544-S546 PolarHBondContact O-N 3Å; S546-K550 WeakPolarHBondContact O-CG 3.42Å; S546-K550 PolarHBondContact O-N 3.08Å; S546-K550 VanDerWaalsContact O-N 3.14Å
547T85.9Confident84.9Confident52 Ų5268.9 Ų68.932%0.31938%0.38SS..Hα-helixtrans-70.9-36174.249.10000111.6R544 S545 K550 H551R544-T547 HydrophobicContact CB-CG2 4.39Å; R544-T547 PolarHBondContact O-N 2.92Å; R544-T547 PolarHBondContact O-OG1 3.34Å; S545-T547 VanDerWaalsContact C-N 3.33Å; S545-T547 PolarHBondContact O-N 3.45Å; T547-K550 PolarHBondContact O-N 3.1Å; T547-H551 WeakPolarHBondContact O-CB 3.17Å; T547-H551 PolarHBondContact O-N 3.35Å
548F87.5Confident84.6Confident26 Ų2666.3 Ų66.311%0.11437%0.374CS..Hα-helixtrans-65.7-45.6174.9173.2-118.8000112.3Y533 K534 C535 F542 R544 S545 K550 H551 K552Y533-F548 HydrophobicContact CD1-CD1 4.44Å; Y533-F548 HydrophobicContact CG-CB 4.36Å; K534-F548 VanDerWaalsContact O-CE2 3.23Å; K534-F548 WeakPolarHBondContact O-CE2 3.42Å; K534-F548 VanDerWaalsContact O-CZ 3.23Å; K534-F548 WeakPolarHBondContact O-CZ 3.31Å; C535-F548 HydrophobicContact CB-CE2 3.87Å; F542-F548 HydrophobicContact CB-CB 4.15Å; F542-F548 HydrophobicContact CD2-CB 4.03Å; F542-F548 AromaticContact CD2-CD2 3.71Å; F542-F548 HydrophobicContact CD2-CD2 3.71Å; F542-F548 HydrophobicContact CD2-CG 4.36Å; F542-F548 HydrophobicContact CE2-CD2 4.08Å; F542-F548 HydrophobicContact CG-CB 4.21Å; R544-F548 PolarHBondContact O-N 2.89Å; S545-F548 WeakPolarHBondContact O-CA 3.48Å; S545-F548 WeakPolarHBondContact O-CB 3.44Å; S545-F548 PolarHBondContact O-N 3.1Å; S545-F548 VanDerWaalsContact O-N 3.08Å; F548-K550 VanDerWaalsContact C-N 3.34Å; F548-K550 PolarHBondContact O-N 3.47Å; F548-H551 WeakPolarHBondContact O-CB 3.45Å; F548-H551 PolarHBondContact O-N 2.98Å; F548-H551 VanDerWaalsContact O-N 3.11Å; F548-K552 HydrophobicContact CE1-CD 4.12Å; F548-K552 HydrophobicContact CE2-CG 4.3Å; F548-K552 HydrophobicContact CZ-CD 4.11Å; F548-K552 HydrophobicContact CZ-CG 4.36Å; F548-K552 PolarHBondContact O-N 3.3Å
549T85.3Confident84.5Confident79 Ų7968.5 Ų68.549%0.48538%0.377SS..Hα-helixtrans-60.2-44175.3-52.40000111.3S545 H551 K552 V553S545-T549 PolarHBondContact O-N 3.11Å; S545-T549 PolarHBondContact O-OG1 2.96Å; S545-T549 VanDerWaalsContact O-OG1 3.11Å; T549-H551 VanDerWaalsContact C-N 3.26Å; T549-H551 PolarHBondContact O-N 2.92Å; T549-K552 PolarHBondContact O-N 3.37Å; T549-V553 PolarHBondContact O-N 3.43Å
550K84.4Confident84.4Confident124 Ų12470 Ų7054%0.53938%0.38SS..Hα-helixtrans-61.6-35.7174.9-75.4179-178.8-173.10112.8S546 T547 F548S546-K550 WeakPolarHBondContact O-CG 3.42Å; S546-K550 PolarHBondContact O-N 3.08Å; S546-K550 VanDerWaalsContact O-N 3.14Å; T547-K550 PolarHBondContact O-N 3.1Å; F548-K550 VanDerWaalsContact C-N 3.34Å; F548-K550 PolarHBondContact O-N 3.47Å
551H86.6Confident84.3Confident17 Ų1768.6 Ų68.68%0.07937%0.372CS..Hα-helixtrans-69.3-40.8176.9169.667.2000112C538 F542 T547 F548 T549 V553 I554 H555C538-H551 PolarHBondContact SG-CE1 3.14Å; C538-H551 PolarHBondContact SG-NE2 3.16Å; F542-H551 HydrophobicContact CE1-CB 4.04Å; F542-H551 HydrophobicContact CE2-CB 3.97Å; F542-H551 AromaticContact CE2-CD2 3.31Å; F542-H551 WeakPolarHBondContact CE2-CD2 3.21Å; F542-H551 AromaticContact CE2-CG 3.64Å; F542-H551 AromaticContact CE2-NE2 3.93Å; F542-H551 HydrophobicContact CZ-CB 3.52Å; F542-H551 AromaticContact CZ-CD2 3.4Å; F542-H551 VanDerWaalsContact CZ-CD2 3.4Å; F542-H551 WeakPolarHBondContact CZ-CD2 3.38Å; F542-H551 AromaticContact CZ-CG 3.24Å; F542-H551 AromaticContact CZ-ND1 3.74Å; F542-H551 AromaticContact CZ-NE2 3.92Å; T547-H551 WeakPolarHBondContact O-CB 3.17Å; T547-H551 PolarHBondContact O-N 3.35Å; F548-H551 WeakPolarHBondContact O-CB 3.45Å; F548-H551 PolarHBondContact O-N 2.98Å; F548-H551 VanDerWaalsContact O-N 3.11Å; T549-H551 VanDerWaalsContact C-N 3.26Å; T549-H551 PolarHBondContact O-N 2.92Å; H551-V553 PolarHBondContact O-N 3.17Å; H551-I554 VanDerWaalsContact O-CB 3.23Å; H551-I554 WeakPolarHBondContact O-CB 3.37Å; H551-I554 WeakPolarHBondContact O-CG1 3.41Å; H551-I554 PolarHBondContact O-N 3.16Å; H551-H555 AromaticContact CD2-NE2 3.85Å; H551-H555 AromaticContact CE1-CE1 3.8Å; H551-H555 AromaticContact CE1-NE2 3.32Å; H551-H555 PolarHBondContact CE1-NE2 3.43Å; H551-H555 VanDerWaalsContact CE1-NE2 3.32Å; H551-H555 AromaticContact NE2-CD2 3.86Å; H551-H555 AromaticContact NE2-CE1 3.88Å; H551-H555 AromaticContact NE2-NE2 3Å; H551-H555 PolarHBondContact NE2-NE2 2.79Å
552K83.9Confident84.2Confident102 Ų10273 Ų7344%0.44339%0.385SS..Hα-helixtrans-55.5-35.8175.7-79.6-171.7160.3-176.60113.3F548 T549 I554 H555 T556F548-K552 HydrophobicContact CE1-CD 4.12Å; F548-K552 HydrophobicContact CE2-CG 4.3Å; F548-K552 HydrophobicContact CZ-CD 4.11Å; F548-K552 HydrophobicContact CZ-CG 4.36Å; F548-K552 PolarHBondContact O-N 3.3Å; T549-K552 PolarHBondContact O-N 3.37Å; K552-I554 PolarHBondContact O-N 3.27Å; K552-H555 PolarHBondContact O-N 3.21Å; K552-H555 VanDerWaalsContact O-N 3.12Å; K552-T556 PolarHBondContact O-N 3.05Å
553V84.4Confident84.3Confident44 Ų4471 Ų7127%0.26738%0.377SS..Hα-helixtrans-60.4-27.8177.3-178.10000112T549 H551 H555 T556 F571T549-V553 PolarHBondContact O-N 3.43Å; H551-V553 PolarHBondContact O-N 3.17Å; V553-H555 VanDerWaalsContact C-N 3.35Å; V553-H555 PolarHBondContact O-N 3.37Å; V553-T556 PolarHBondContact O-N 2.87Å; V553-T556 PolarHBondContact O-OG1 3Å; V553-F571 HydrophobicContact CG1-CD1 4.3Å
554I83.8Confident84.4Confident71 Ų7176.7 Ų76.736%0.36440%0.402SS..Hα-helixtrans-65.3-41.4178-55.7173.5000110.5H551 K552 T556 G557 W572H551-I554 VanDerWaalsContact O-CB 3.23Å; H551-I554 WeakPolarHBondContact O-CB 3.37Å; H551-I554 WeakPolarHBondContact O-CG1 3.41Å; H551-I554 PolarHBondContact O-N 3.16Å; K552-I554 PolarHBondContact O-N 3.27Å; I554-T556 VanDerWaalsContact C-N 3.32Å; I554-T556 PolarHBondContact O-N 2.92Å; I554-G557 PolarHBondContact O-N 2.95Å; I554-G557 VanDerWaalsContact O-N 3.16Å; I554-W572 HydrophobicContact CD1-CZ2 4.38Å
555H82.9Confident84.3Confident72 Ų7277.4 Ų77.433%0.33341%0.41SS..Hα-helixtrans-70-30.6179.8-61-50.3000112.9C535 E537 C538 H551 K552 V553 G557C535-H555 PolarHBondContact SG-NE2 3.43Å; E537-H555 WeakPolarHBondContact OE2-CB 3.44Å; E537-H555 IonicContact OE2-CD2 2.9Å; E537-H555 PolarHBondContact OE2-CD2 2.98Å; E537-H555 IonicContact OE2-CG 3.02Å; E537-H555 IonicContact OE2-NE2 3.95Å; C538-H555 VanDerWaalsContact SG-CE1 3.59Å; C538-H555 PolarHBondContact SG-NE2 3.48Å; C538-H555 VanDerWaalsContact SG-NE2 3.38Å; H551-H555 AromaticContact CD2-NE2 3.85Å; H551-H555 AromaticContact CE1-CE1 3.8Å; H551-H555 AromaticContact CE1-NE2 3.32Å; H551-H555 PolarHBondContact CE1-NE2 3.43Å; H551-H555 VanDerWaalsContact CE1-NE2 3.32Å; H551-H555 AromaticContact NE2-CD2 3.86Å; H551-H555 AromaticContact NE2-CE1 3.88Å; H551-H555 AromaticContact NE2-NE2 3Å; H551-H555 PolarHBondContact NE2-NE2 2.79Å; K552-H555 PolarHBondContact O-N 3.21Å; K552-H555 VanDerWaalsContact O-N 3.12Å; V553-H555 VanDerWaalsContact C-N 3.35Å; V553-H555 PolarHBondContact O-N 3.37Å; H555-G557 PolarHBondContact O-N 3.11Å
556T80.1Confident84.3Confident88 Ų8877.1 Ų77.154%0.5441%0.407SS..THydrogen-bonded Turntrans-67.1-16174.1660000113.1K552 V553 I554 V558K552-T556 PolarHBondContact O-N 3.05Å; V553-T556 PolarHBondContact O-N 2.87Å; V553-T556 PolarHBondContact O-OG1 3Å; I554-T556 VanDerWaalsContact C-N 3.32Å; I554-T556 PolarHBondContact O-N 2.92Å; T556-V558 PolarHBondContact O-N 3.32Å
557G76.8Confident84.1Confident48 Ų4876.4 Ų76.450%0.49541%0.411SS..  trans66.1-11.5-176.400000114.9I554 H555 K559I554-G557 PolarHBondContact O-N 2.95Å; I554-G557 VanDerWaalsContact O-N 3.16Å; H555-G557 PolarHBondContact O-N 3.11Å; G557-K559 PolarHBondContact O-N 3.38Å
558V79.1Confident84.1Confident86 Ų8680 Ų8052%0.52142%0.422SS..  trans-67.8120.7179.7-175.60000109.1T556 P560 F571T556-V558 PolarHBondContact O-N 3.32Å; V558-P560 HydrophobicContact CG1-CG 4.25Å; V558-P560 VanDerWaalsContact O-CD 3.28Å; V558-P560 WeakPolarHBondContact O-CD 3.46Å; V558-F571 WeakPolarHBondContact O-CD1 3.37Å
559K84.9Confident84Confident97 Ų9780.3 Ų80.342%0.42243%0.43SS..  trans-103.190.2172.5-67.5-178.3-174.2175.40108.7G557 Y561 A569 F570 F571G557-K559 PolarHBondContact O-N 3.38Å; K559-Y561 PolarHBondContact O-N 3.27Å; K559-A569 HydrophobicContact CB-CB 3.58Å; K559-A569 HydrophobicContact CD-CB 4.04Å; K559-A569 WeakPolarHBondContact CD-O 3.49Å; K559-A569 HydrophobicContact CG-CB 4.48Å; K559-F570 CarbonylContact C-O 3.56Å; K559-F570 WeakPolarHBondContact CA-O 3.33Å; K559-F571 HydrophobicContact CD-CE2 4.2Å; K559-F571 HydrophobicContact CD-CZ 4.26Å; K559-F571 VanDerWaalsContact CE-CE2 3.44Å; K559-F571 HydrophobicContact CG-CD1 3.84Å; K559-F571 HydrophobicContact CG-CD2 4.14Å; K559-F571 HydrophobicContact CG-CE1 3.65Å; K559-F571 HydrophobicContact CG-CE2 3.96Å; K559-F571 HydrophobicContact CG-CG 4.09Å; K559-F571 HydrophobicContact CG-CZ 3.72Å
560P82.2Confident84Confident74 Ų7478.3 Ų78.348%0.48142%0.415SS..  trans-71.5-19.7-167.5-14.230.3000113V558V558-P560 HydrophobicContact CG1-CG 4.25Å; V558-P560 VanDerWaalsContact O-CD 3.28Å; V558-P560 WeakPolarHBondContact O-CD 3.46Å
561Y85Confident83.9Confident96 Ų9675.2 Ų75.238%0.37640%0.401SS..EExtended strand (participates in β ladder)trans-104.198-170.7-57.4-76.4000110.1K559 A569 F570 F571 W572K559-Y561 PolarHBondContact O-N 3.27Å; Y561-A569 CarbonylContact O-C 3.52Å; Y561-A569 WeakPolarHBondContact O-CA 3.26Å; Y561-F570 PolarHBondContact N-O 3.13Å; Y561-F570 PolarHBondContact O-N 2.97Å; Y561-F571 WeakPolarHBondContact CE2-O 3.41Å; Y561-W572 VanDerWaalsContact CD2-C 3.43Å
562K86Confident83.8Confident134 Ų13479.4 Ų79.458%0.58342%0.416SS*.EExtended strand (participates in β ladder)trans-93.2144.6177.5-63-175.9-179.4-179.80111.2A569 L576K562-A569 HydrophobicContact CG-CB 3.96Å; K562-L576 WeakPolarHBondContact O-CD2 3.19Å
563C88.8Confident83.8Confident2 Ų277.4 Ų77.41%0.01442%0.416CS..  trans-88.6118.4169.5-179.90000108.6E565 G567 K568 F570 L576 H583C563-E565 VanDerWaalsContact C-N 3.27Å; C563-E565 PolarHBondContact O-N 2.95Å; C563-G567 WeakPolarHBondContact O-CA 3.43Å; C563-G567 PolarHBondContact O-N 3.09Å; C563-K568 WeakPolarHBondContact CB-O 3.5Å; C563-K568 PolarHBondContact N-O 3.16Å; C563-F570 HydrophobicContact CB-CE2 4.42Å; C563-L576 HydrophobicContact CB-CD1 3.6Å; C563-H583 PolarHBondContact SG-NE2 3.5Å
564E86.6Confident83.8Confident168 Ų16878.4 Ų78.479%0.78542%0.424SS*.THydrogen-bonded Turntrans-66.4-30179.3-56.6-53.4140.600112.5
565E83.5Confident83.9Confident117 Ų11777.3 Ų77.355%0.54742%0.421SS..THydrogen-bonded Turntrans-77.4-30-176.1-69.4161.2-16000113.4C563 H583C563-E565 VanDerWaalsContact C-N 3.27Å; C563-E565 PolarHBondContact O-N 2.95Å; E565-H583 WeakPolarHBondContact OE2-CB 3.36Å; E565-H583 IonicContact OE2-CD2 3.98Å; E565-H583 PolarHBondContact OE2-CD2 3.19Å; E565-H583 IonicContact OE2-CG 3.92Å
566C86Confident84Confident49 Ų4974.9 Ų74.933%0.33141%0.41SS..THydrogen-bonded Turntrans-137.511.7-176.482.40000114.6K568 H579 H583C566-K568 PolarHBondContact O-N 3.49Å; C566-K568 VanDerWaalsContact SG-CG 3.6Å; C566-H579 PolarHBondContact SG-NE2 3.22Å; C566-H583 PolarHBondContact SG-NE2 3.12Å; C566-H583 VanDerWaalsContact SG-NE2 3.37Å
567G82.3Confident84.3Confident58 Ų5874.3 Ų74.360%0.59841%0.407SS*.  trans67.2-4.2177.600000116.4C563 A569C563-G567 WeakPolarHBondContact O-CA 3.43Å; C563-G567 PolarHBondContact O-N 3.09Å; G567-A569 PolarHBondContact O-N 3.03Å
568K85.8Confident84.6Confident127 Ų12776.8 Ų76.855%0.55240%0.404SS*.  trans-68.4128.1-175.4-73.2178.8-176.7174.20111C563 C566 F570C563-K568 WeakPolarHBondContact CB-O 3.5Å; C563-K568 PolarHBondContact N-O 3.16Å; C566-K568 PolarHBondContact O-N 3.49Å; C566-K568 VanDerWaalsContact SG-CG 3.6Å; K568-F570 HydrophobicContact CB-CE2 3.89Å; K568-F570 HydrophobicContact CB-CZ 3.93Å; K568-F570 VanDerWaalsContact O-CE2 3.32Å; K568-F570 WeakPolarHBondContact O-CE2 3.32Å
569A86.3Confident84.9Confident33 Ų3373.6 Ų73.627%0.27338%0.383SS..EExtended strand (participates in β ladder)trans-99.6144.4179.300000112.2K559 Y561 K562 G567K559-A569 HydrophobicContact CB-CB 3.58Å; K559-A569 HydrophobicContact CD-CB 4.04Å; K559-A569 WeakPolarHBondContact CD-O 3.49Å; K559-A569 HydrophobicContact CG-CB 4.48Å; Y561-A569 CarbonylContact O-C 3.52Å; Y561-A569 WeakPolarHBondContact O-CA 3.26Å; K562-A569 HydrophobicContact CG-CB 3.96Å; G567-A569 PolarHBondContact O-N 3.03Å
570F85.2Confident84.8Confident38 Ų3873 Ų7317%0.16738%0.381CS..EExtended strand (participates in β ladder)trans-132.3152.4-178-57-86.4000111.6K559 Y561 C563 K568 T575 L576 H579K559-F570 CarbonylContact C-O 3.56Å; K559-F570 WeakPolarHBondContact CA-O 3.33Å; Y561-F570 PolarHBondContact N-O 3.13Å; Y561-F570 PolarHBondContact O-N 2.97Å; C563-F570 HydrophobicContact CB-CE2 4.42Å; K568-F570 HydrophobicContact CB-CE2 3.89Å; K568-F570 HydrophobicContact CB-CZ 3.93Å; K568-F570 VanDerWaalsContact O-CE2 3.32Å; K568-F570 WeakPolarHBondContact O-CE2 3.32Å; F570-T575 HydrophobicContact CD1-CG2 3.55Å; F570-T575 HydrophobicContact CE1-CG2 4.11Å; F570-T575 HydrophobicContact CG-CG2 4.29Å; F570-L576 HydrophobicContact CD2-CB 3.95Å; F570-L576 HydrophobicContact CD2-CD1 3.83Å; F570-L576 HydrophobicContact CD2-CG 4.49Å; F570-L576 HydrophobicContact CE2-CD1 3.93Å; F570-L576 HydrophobicContact CG-CB 4.44Å; F570-H579 HydrophobicContact CE1-CB 4.18Å; F570-H579 HydrophobicContact CE2-CB 3.94Å; F570-H579 AromaticContact CE2-CD2 3.36Å; F570-H579 WeakPolarHBondContact CE2-CD2 3.27Å; F570-H579 AromaticContact CE2-CG 3.67Å; F570-H579 HydrophobicContact CZ-CB 3.57Å; F570-H579 AromaticContact CZ-CD2 3.43Å; F570-H579 VanDerWaalsContact CZ-CD2 3.43Å; F570-H579 WeakPolarHBondContact CZ-CD2 3.12Å; F570-H579 AromaticContact CZ-CG 3.28Å; F570-H579 AromaticContact CZ-ND1 3.8Å; F570-H579 AromaticContact CZ-NE2 3.96Å
571F81.8Confident84.9Confident58 Ų5871.9 Ų71.925%0.25437%0.367SS..SBendtrans-75.5-23.7176.5-69-73.5000113.7V553 V558 K559 Y561V553-F571 HydrophobicContact CG1-CD1 4.3Å; V558-F571 WeakPolarHBondContact O-CD1 3.37Å; K559-F571 HydrophobicContact CD-CE2 4.2Å; K559-F571 HydrophobicContact CD-CZ 4.26Å; K559-F571 VanDerWaalsContact CE-CE2 3.44Å; K559-F571 HydrophobicContact CG-CD1 3.84Å; K559-F571 HydrophobicContact CG-CD2 4.14Å; K559-F571 HydrophobicContact CG-CE1 3.65Å; K559-F571 HydrophobicContact CG-CE2 3.96Å; K559-F571 HydrophobicContact CG-CG 4.09Å; K559-F571 HydrophobicContact CG-CZ 3.72Å; Y561-F571 WeakPolarHBondContact CE2-O 3.41Å
572W84.1Confident84.8Confident105 Ų10571.6 Ų71.640%0.39837%0.371SS..SBendtrans-133.7140.4-176.3-52.2-47.2000112.1I554 Y561 S574 T575 L576I554-W572 HydrophobicContact CD1-CZ2 4.38Å; Y561-W572 VanDerWaalsContact CD2-C 3.43Å; W572-S574 VanDerWaalsContact C-N 3.29Å; W572-S574 PolarHBondContact O-N 2.83Å; W572-T575 WeakPolarHBondContact O-CB 3.23Å; W572-T575 PolarHBondContact O-N 2.85Å; W572-L576 PolarHBondContact O-N 2.95Å
573S84.7Confident84.5Confident61 Ų6169 Ų6943%0.42736%0.361SS..Hα-helixtrans-57.3-39.9177.359.70000112.7T575 L576 T577S573-T575 PolarHBondContact O-N 3.41Å; S573-L576 WeakPolarHBondContact O-CB 3.43Å; S573-L576 PolarHBondContact O-N 3.45Å; S573-L576 VanDerWaalsContact O-N 3.14Å; S573-T577 PolarHBondContact O-N 3.32Å; S573-T577 PolarHBondContact O-OG1 3.01Å
574S84.9Confident84Confident64 Ų6472.5 Ų72.545%0.44838%0.382SS..Hα-helixtrans-60.3-31.7177.755.90000113.4W572 K578W572-S574 VanDerWaalsContact C-N 3.29Å; W572-S574 PolarHBondContact O-N 2.83Å; S574-K578 WeakPolarHBondContact O-CG 3.33Å; S574-K578 PolarHBondContact O-N 3.49Å; S574-K578 VanDerWaalsContact O-N 3.14Å
575T84.1Confident83.5Confident49 Ų4967.1 Ų67.130%0.30137%0.372SS..Hα-helixtrans-76.2-40.6177.9-50.70000110.2F570 W572 S573 K578 H579F570-T575 HydrophobicContact CD1-CG2 3.55Å; F570-T575 HydrophobicContact CE1-CG2 4.11Å; F570-T575 HydrophobicContact CG-CG2 4.29Å; W572-T575 WeakPolarHBondContact O-CB 3.23Å; W572-T575 PolarHBondContact O-N 2.85Å; S573-T575 PolarHBondContact O-N 3.41Å; T575-K578 PolarHBondContact O-N 3.31Å; T575-H579 WeakPolarHBondContact O-CB 3.13Å; T575-H579 PolarHBondContact O-N 3.25Å
576L86.6Confident83.1Confident20 Ų2067 Ų6711%0.10537%0.371CS..Hα-helixtrans-59.5-46.4171.1174.762.8000111.3K562 C563 F570 W572 S573 K578 H579 K580K562-L576 WeakPolarHBondContact O-CD2 3.19Å; C563-L576 HydrophobicContact CB-CD1 3.6Å; F570-L576 HydrophobicContact CD2-CB 3.95Å; F570-L576 HydrophobicContact CD2-CD1 3.83Å; F570-L576 HydrophobicContact CD2-CG 4.49Å; F570-L576 HydrophobicContact CE2-CD1 3.93Å; F570-L576 HydrophobicContact CG-CB 4.44Å; W572-L576 PolarHBondContact O-N 2.95Å; S573-L576 WeakPolarHBondContact O-CB 3.43Å; S573-L576 PolarHBondContact O-N 3.45Å; S573-L576 VanDerWaalsContact O-N 3.14Å; L576-K578 VanDerWaalsContact C-N 3.33Å; L576-K578 PolarHBondContact O-N 2.99Å; L576-H579 CarbonylContact O-C 3.58Å; L576-H579 WeakPolarHBondContact O-CA 3.48Å; L576-H579 WeakPolarHBondContact O-CB 3.18Å; L576-H579 PolarHBondContact O-N 2.94Å; L576-K580 HydrophobicContact CD1-CG 4.25Å; L576-K580 WeakPolarHBondContact O-CG 3.4Å; L576-K580 PolarHBondContact O-N 3.44Å
577T85.1Confident82.7Confident77 Ų7769.3 Ų69.347%0.47238%0.377SS..Hα-helixtrans-58.9-43.1176.9-52.20000111.9S573 H579 K580S573-T577 PolarHBondContact O-N 3.32Å; S573-T577 PolarHBondContact O-OG1 3.01Å; T577-H579 VanDerWaalsContact C-N 3.3Å; T577-H579 PolarHBondContact O-N 2.8Å; T577-K580 PolarHBondContact O-N 3.31Å
578K84Confident82.5Confident100 Ų10069.9 Ų69.944%0.43537%0.37SS..Hα-helixtrans-65.9-34.5174.9-73.6175.4-176.4-178.50112.4S574 T575 L576S574-K578 WeakPolarHBondContact O-CG 3.33Å; S574-K578 PolarHBondContact O-N 3.49Å; S574-K578 VanDerWaalsContact O-N 3.14Å; T575-K578 PolarHBondContact O-N 3.31Å; L576-K578 VanDerWaalsContact C-N 3.33Å; L576-K578 PolarHBondContact O-N 2.99Å
579H85.1Confident82Confident18 Ų1867.3 Ų67.38%0.08336%0.358CS..Hα-helixtrans-70-40.9177.2170.964.3000112C566 F570 T575 L576 T577 R581 I582 H583C566-H579 PolarHBondContact SG-NE2 3.22Å; F570-H579 HydrophobicContact CE1-CB 4.18Å; F570-H579 HydrophobicContact CE2-CB 3.94Å; F570-H579 AromaticContact CE2-CD2 3.36Å; F570-H579 WeakPolarHBondContact CE2-CD2 3.27Å; F570-H579 AromaticContact CE2-CG 3.67Å; F570-H579 HydrophobicContact CZ-CB 3.57Å; F570-H579 AromaticContact CZ-CD2 3.43Å; F570-H579 VanDerWaalsContact CZ-CD2 3.43Å; F570-H579 WeakPolarHBondContact CZ-CD2 3.12Å; F570-H579 AromaticContact CZ-CG 3.28Å; F570-H579 AromaticContact CZ-ND1 3.8Å; F570-H579 AromaticContact CZ-NE2 3.96Å; T575-H579 WeakPolarHBondContact O-CB 3.13Å; T575-H579 PolarHBondContact O-N 3.25Å; L576-H579 CarbonylContact O-C 3.58Å; L576-H579 WeakPolarHBondContact O-CA 3.48Å; L576-H579 WeakPolarHBondContact O-CB 3.18Å; L576-H579 PolarHBondContact O-N 2.94Å; T577-H579 VanDerWaalsContact C-N 3.3Å; T577-H579 PolarHBondContact O-N 2.8Å; H579-R581 PolarHBondContact O-N 3.3Å; H579-I582 VanDerWaalsContact O-CB 3.22Å; H579-I582 WeakPolarHBondContact O-CB 3.21Å; H579-I582 WeakPolarHBondContact O-CG1 3.43Å; H579-I582 PolarHBondContact O-N 2.98Å; H579-H583 AromaticContact CE1-NE2 3.6Å; H579-H583 AromaticContact NE2-NE2 3.22Å; H579-H583 PolarHBondContact NE2-NE2 3.16Å
580K83.4Confident81.6Confident85 Ų8573 Ų7337%0.3738%0.376SS..Hα-helixtrans-56.8-30.8175.8-73.7-169.3173.7-159.70113.3L576 T577 I582 H583 T584L576-K580 HydrophobicContact CD1-CG 4.25Å; L576-K580 WeakPolarHBondContact O-CG 3.4Å; L576-K580 PolarHBondContact O-N 3.44Å; T577-K580 PolarHBondContact O-N 3.31Å; K580-I582 PolarHBondContact O-N 3.16Å; K580-I582 VanDerWaalsContact O-N 3.15Å; K580-H583 PolarHBondContact O-N 3.47Å; K580-T584 PolarHBondContact O-N 3.48Å; K580-T584 VanDerWaalsContact O-N 3.09Å; K580-T584 PolarHBondContact O-OG1 2.71Å
581R83.8Confident81.3Confident51 Ų5172 Ų7219%0.19237%0.372CS..Hα-helixtrans-62.6-18.7174.3-63177-173.6-173.3-5.5114.3H579 T584 G585 E586 Y589H579-R581 PolarHBondContact O-N 3.3Å; R581-T584 WeakPolarHBondContact CA-OG1 3.33Å; R581-G585 PolarHBondContact O-N 3.39Å; R581-G585 VanDerWaalsContact O-N 3.16Å; R581-E586 HydrophobicContact CB-CB 4.44Å; R581-E586 HydrophobicContact CG-CB 4.38Å; R581-E586 PolarHBondContact O-N 3.37Å; R581-Y589 VanDerWaalsContact NH1-CE2 3.28Å
582I81.8Confident80.8Confident89 Ų8978.4 Ų78.446%0.45640%0.402SS..Hα-helixtrans-73.8-37.8175.3-57.9173.7000109.5H579 K580H579-I582 VanDerWaalsContact O-CB 3.22Å; H579-I582 WeakPolarHBondContact O-CB 3.21Å; H579-I582 WeakPolarHBondContact O-CG1 3.43Å; H579-I582 PolarHBondContact O-N 2.98Å; K580-I582 PolarHBondContact O-N 3.16Å; K580-I582 VanDerWaalsContact O-N 3.15Å
583H80.4Confident80Confident80 Ų8080.6 Ų80.637%0.3742%0.415SS..Hα-helixtrans-76.6-38.4178.6-58.8-51.6000112.1C563 E565 C566 H579 K580 G585C563-H583 PolarHBondContact SG-NE2 3.5Å; E565-H583 WeakPolarHBondContact OE2-CB 3.36Å; E565-H583 IonicContact OE2-CD2 3.98Å; E565-H583 PolarHBondContact OE2-CD2 3.19Å; E565-H583 IonicContact OE2-CG 3.92Å; C566-H583 PolarHBondContact SG-NE2 3.12Å; C566-H583 VanDerWaalsContact SG-NE2 3.37Å; H579-H583 AromaticContact CE1-NE2 3.6Å; H579-H583 AromaticContact NE2-NE2 3.22Å; H579-H583 PolarHBondContact NE2-NE2 3.16Å; K580-H583 PolarHBondContact O-N 3.47Å; H583-G585 VanDerWaalsContact C-N 3.33Å
584T78.8Confident79.3Confident76 Ų7682.4 Ų82.447%0.46642%0.415SS..SBendtrans-82.7-7.8178.864.20000114.3K580 R581 E586K580-T584 PolarHBondContact O-N 3.48Å; K580-T584 VanDerWaalsContact O-N 3.09Å; K580-T584 PolarHBondContact O-OG1 2.71Å; R581-T584 WeakPolarHBondContact CA-OG1 3.33Å; T584-E586 PolarHBondContact O-N 3.21Å; T584-E586 VanDerWaalsContact O-N 3.14Å; T584-E586 WeakPolarHBondContact OG1-CG 3.26Å
585G74.9Confident78.6Confident55 Ų5582.6 Ų82.657%0.56743%0.427SS*.  trans66.18.2-175.500000114.9R581 H583 Q587R581-G585 PolarHBondContact O-N 3.39Å; R581-G585 VanDerWaalsContact O-N 3.16Å; H583-G585 VanDerWaalsContact C-N 3.33Å; G585-Q587 PolarHBondContact O-N 2.9Å
586E76.7Confident78.2Confident113 Ų11385.1 Ų85.153%0.52843%0.434SS..  trans-64.4121.8-175.9-78.4-179.4-179.700112.7R581 T584 P588R581-E586 HydrophobicContact CB-CB 4.44Å; R581-E586 HydrophobicContact CG-CB 4.38Å; R581-E586 PolarHBondContact O-N 3.37Å; T584-E586 PolarHBondContact O-N 3.21Å; T584-E586 VanDerWaalsContact O-N 3.14Å; T584-E586 WeakPolarHBondContact OG1-CG 3.26Å; E586-P588 VanDerWaalsContact C-CD 3.41Å; E586-P588 WeakPolarHBondContact O-CD 2.87Å
587Q77.8Confident77.7Confident98 Ų9885.5 Ų85.546%0.45844%0.44SS..  trans-115.276.7174.8-63.1-170.5-19.900111.8G585 Y589 A597 F598G585-Q587 PolarHBondContact O-N 2.9Å; Q587-Y589 VanDerWaalsContact C-N 3.26Å; Q587-Y589 PolarHBondContact O-N 2.93Å; Q587-A597 HydrophobicContact CB-CB 3.76Å; Q587-A597 VanDerWaalsContact OE1-C 3.29Å; Q587-A597 PolarHBondContact OE1-O 3.14Å; Q587-F598 CarbonylContact C-O 3.29Å; Q587-F598 WeakPolarHBondContact CA-O 3.5Å
588P77.3Confident77.3Confident70 Ų7083.5 Ų83.546%0.45543%0.425SS..  trans-74.6-11.9-174.427.7-33.6000114E586E586-P588 VanDerWaalsContact C-CD 3.41Å; E586-P588 WeakPolarHBondContact O-CD 2.87Å
589Y75.4Confident76.9Confident73 Ų7380.9 Ų80.929%0.28642%0.415SS..EExtended strand (participates in β ladder)trans-102.994.7-178.7-56-72.6000110R581 Q587 F598 S601R581-Y589 VanDerWaalsContact NH1-CE2 3.28Å; Q587-Y589 VanDerWaalsContact C-N 3.26Å; Q587-Y589 PolarHBondContact O-N 2.93Å; Y589-F598 PolarHBondContact N-O 3.33Å; Y589-F598 PolarHBondContact O-N 3.38Å; Y589-S601 VanDerWaalsContact CD2-N 3.32Å
590K77.2Confident76.3Confident152 Ų15285.1 Ų85.166%0.66143%0.431SS*.EExtended strand (participates in β ladder)trans-94.5140178.1-60.7-172.8178.9-178.20111.1A597K590-A597 HydrophobicContact CG-CB 3.98Å
591W78.5Confident75.9Confident19 Ų1983.8 Ų83.87%0.07243%0.432CS..  trans-93.697.7164.7-165.5-10.8000109K593 F594 G595 K596 L604 D607 K608 H611W591-K593 PolarHBondContact O-N 3.14Å; W591-K593 VanDerWaalsContact O-N 3.16Å; W591-F594 HydrophobicContact CD2-CB 4.41Å; W591-F594 AromaticContact CD2-CD2 3.94Å; W591-F594 HydrophobicContact CD2-CD2 3.94Å; W591-F594 AromaticContact CE2-CD2 3.51Å; W591-F594 HydrophobicContact CE3-CD2 4.28Å; W591-F594 AromaticContact CH2-CD2 3.8Å; W591-F594 HydrophobicContact CH2-CD2 3.8Å; W591-F594 AromaticContact CH2-CE2 4Å; W591-F594 HydrophobicContact CH2-CE2 4Å; W591-F594 AromaticContact CZ2-CD2 3.44Å; W591-F594 HydrophobicContact CZ2-CD2 3.44Å; W591-F594 VanDerWaalsContact CZ2-CD2 3.44Å; W591-F594 AromaticContact CZ2-CE2 3.61Å; W591-F594 HydrophobicContact CZ2-CE2 3.61Å; W591-F594 HydrophobicContact CZ3-CD2 4.21Å; W591-F594 AromaticContact NE1-CD2 3.94Å; W591-F594 PolarHBondContact O-N 3.39Å; W591-F594 VanDerWaalsContact O-N 3.14Å; W591-G595 PolarHBondContact O-N 2.77Å; W591-K596 PolarHBondContact N-O 3.24Å; W591-L604 HydrophobicContact CB-CD1 3.6Å; W591-L604 HydrophobicContact CD2-CD1 4.32Å; W591-L604 HydrophobicContact CE3-CD1 4.38Å; W591-L604 HydrophobicContact CG-CD1 4.02Å; W591-D607 VanDerWaalsContact CE3-OD2 3.28Å; W591-D607 HydrophobicContact CZ3-CB 4.34Å; W591-D607 WeakPolarHBondContact CZ3-OD2 2.93Å; W591-K608 HydrophobicContact CD2-CG 4.06Å; W591-K608 HydrophobicContact CE3-CG 4.16Å; W591-K608 HydrophobicContact CH2-CG 4.02Å; W591-K608 HydrophobicContact CZ2-CG 3.9Å; W591-K608 HydrophobicContact CZ3-CG 4.14Å; W591-H611 HydrophobicContact CH2-CB 3.58Å; W591-H611 AromaticContact CH2-CD2 3.48Å; W591-H611 VanDerWaalsContact CH2-CD2 3.48Å; W591-H611 WeakPolarHBondContact CH2-CD2 3.39Å; W591-H611 AromaticContact CH2-CG 3.6Å; W591-H611 AromaticContact CZ2-CD2 3.78Å; W591-H611 HydrophobicContact CZ3-CB 4.25Å
592E72.2Confident75.7Confident192 Ų19284 Ų8490%0.89744%0.442SS*.THydrogen-bonded Turntrans-55-36-176.6-69.5175.3169.900113.7F594E592-F594 VanDerWaalsContact C-N 3.34Å; E592-F594 PolarHBondContact O-N 3.15Å
593K67.3Low75.5Confident151 Ų15183.7 Ų83.766%0.65744%0.438SS*.THydrogen-bonded Turntrans-68.7-25.5-178.6-162.7177.9178.9-174.30114.5W591W591-K593 PolarHBondContact O-N 3.14Å; W591-K593 VanDerWaalsContact O-N 3.16Å
594F69.3Low75.5Confident98 Ų9880.8 Ų80.843%0.4343%0.425SS..THydrogen-bonded Turntrans-131.37.5-174-71.5-79.8000114W591 E592 K596 H611W591-F594 HydrophobicContact CD2-CB 4.41Å; W591-F594 AromaticContact CD2-CD2 3.94Å; W591-F594 HydrophobicContact CD2-CD2 3.94Å; W591-F594 AromaticContact CE2-CD2 3.51Å; W591-F594 HydrophobicContact CE3-CD2 4.28Å; W591-F594 AromaticContact CH2-CD2 3.8Å; W591-F594 HydrophobicContact CH2-CD2 3.8Å; W591-F594 AromaticContact CH2-CE2 4Å; W591-F594 HydrophobicContact CH2-CE2 4Å; W591-F594 AromaticContact CZ2-CD2 3.44Å; W591-F594 HydrophobicContact CZ2-CD2 3.44Å; W591-F594 VanDerWaalsContact CZ2-CD2 3.44Å; W591-F594 AromaticContact CZ2-CE2 3.61Å; W591-F594 HydrophobicContact CZ2-CE2 3.61Å; W591-F594 HydrophobicContact CZ3-CD2 4.21Å; W591-F594 AromaticContact NE1-CD2 3.94Å; W591-F594 PolarHBondContact O-N 3.39Å; W591-F594 VanDerWaalsContact O-N 3.14Å; E592-F594 VanDerWaalsContact C-N 3.34Å; E592-F594 PolarHBondContact O-N 3.15Å; F594-K596 PolarHBondContact O-N 3.22Å; F594-H611 AromaticContact CE2-CD2 3.85Å; F594-H611 AromaticContact CE2-CE1 3.71Å; F594-H611 AromaticContact CE2-NE2 3.19Å; F594-H611 WeakPolarHBondContact CE2-NE2 3.22Å; F594-H611 AromaticContact CZ-CE1 3.33Å; F594-H611 WeakPolarHBondContact CZ-CE1 3.36Å; F594-H611 AromaticContact CZ-NE2 3.18Å; F594-H611 WeakPolarHBondContact CZ-NE2 3.48Å
595G70Confident75.5Confident69 Ų6980.9 Ų80.971%0.71143%0.425SS*.  trans66.6-4.2178.100000116W591W591-G595 PolarHBondContact O-N 2.77Å
596K77.3Confident75.8Confident102 Ų10282 Ų8244%0.44342%0.422SS..  trans-69.6134.3179.6-67.3-175.3-174.6175.10111.3W591 F594 F598 D607W591-K596 PolarHBondContact N-O 3.24Å; F594-K596 PolarHBondContact O-N 3.22Å; K596-F598 HydrophobicContact CB-CE2 3.76Å; K596-F598 HydrophobicContact CB-CZ 4.01Å; K596-F598 HydrophobicContact CD-CZ 4.08Å; K596-D607 WeakPolarHBondContact CD-OD2 3.48Å; K596-D607 IonicContact NZ-OD1 3.08Å; K596-D607 PolarHBondContact NZ-OD1 2.83Å; K596-D607 IonicContact NZ-OD2 3.13Å; K596-D607 PolarHBondContact NZ-OD2 3.31Å; K596-D607 VanDerWaalsContact NZ-OD2 3.15Å
597A76.1Confident76Confident27 Ų2778.3 Ų78.322%0.22341%0.405CS..EExtended strand (participates in β ladder)trans-118.6141.2177.300000110.8Q587 K590Q587-A597 HydrophobicContact CB-CB 3.76Å; Q587-A597 VanDerWaalsContact OE1-C 3.29Å; Q587-A597 PolarHBondContact OE1-O 3.14Å; K590-A597 HydrophobicContact CG-CB 3.98Å
598F75.9Confident76.1Confident35 Ų3577.4 Ų77.415%0.15440%0.4CS..EExtended strand (participates in β ladder)trans-129.4143.7-174.4-59.5-88.5000111.2Q587 Y589 K596 R600 H603 L604 D607Q587-F598 CarbonylContact C-O 3.29Å; Q587-F598 WeakPolarHBondContact CA-O 3.5Å; Y589-F598 PolarHBondContact N-O 3.33Å; Y589-F598 PolarHBondContact O-N 3.38Å; K596-F598 HydrophobicContact CB-CE2 3.76Å; K596-F598 HydrophobicContact CB-CZ 4.01Å; K596-F598 HydrophobicContact CD-CZ 4.08Å; F598-R600 VanDerWaalsContact C-N 3.32Å; F598-H603 HydrophobicContact CB-CB 4.45Å; F598-H603 HydrophobicContact CD1-CB 3.72Å; F598-H603 HydrophobicContact CE1-CB 4.32Å; F598-H603 HydrophobicContact CG-CB 4.3Å; F598-L604 HydrophobicContact CD2-CB 3.82Å; F598-L604 HydrophobicContact CD2-CD1 3.81Å; F598-L604 HydrophobicContact CD2-CG 4.4Å; F598-L604 HydrophobicContact CE2-CB 4.33Å; F598-L604 HydrophobicContact CE2-CD1 3.75Å; F598-L604 HydrophobicContact CG-CB 4.31Å; F598-D607 HydrophobicContact CE1-CB 4.37Å; F598-D607 HydrophobicContact CE2-CB 4.42Å; F598-D607 HydrophobicContact CZ-CB 3.76Å; F598-D607 WeakPolarHBondContact CZ-OD2 3.45Å
599N74.9Confident76.3Confident45 Ų4578.2 Ų78.224%0.24140%0.399CS..SBendtrans-76.2-20.1173.56313.7000113
600R73.2Confident76.6Confident108 Ų10877.2 Ų77.241%0.40840%0.401SS..SBendtrans-127.6133.5-179.1-70.2178.9-177.9-170.22.7111.5F598 S602 H603 L604F598-R600 VanDerWaalsContact C-N 3.32Å; R600-S602 PolarHBondContact O-N 3.03Å; R600-H603 PolarHBondContact O-N 2.84Å; R600-L604 PolarHBondContact O-N 3.26Å
601S76.1Confident76.7Confident56 Ų5671.8 Ų71.839%0.39238%0.378SS..Hα-helixtrans-63.3-30.6176.459.90000113Y589 H603 L604 T605Y589-S601 VanDerWaalsContact CD2-N 3.32Å; S601-H603 VanDerWaalsContact C-N 3.31Å; S601-H603 PolarHBondContact O-N 3.14Å; S601-L604 PolarHBondContact O-N 3.23Å; S601-T605 PolarHBondContact O-N 3.07Å; S601-T605 PolarHBondContact O-OG1 2.85Å
602S78.2Confident76.5Confident57 Ų5778 Ų7840%0.39940%0.401SS..Hα-helixtrans-61.3-39.9177.1530000111.8R600 T605 T606R600-S602 PolarHBondContact O-N 3.03Å; S602-T605 VanDerWaalsContact CA-OG1 3.26Å; S602-T605 WeakPolarHBondContact CA-OG1 3.34Å; S602-T605 PolarHBondContact O-N 3.32Å; S602-T605 PolarHBondContact O-OG1 3.01Å; S602-T606 PolarHBondContact O-N 3.28Å; S602-T606 PolarHBondContact O-OG1 2.88Å
603H78.8Confident76.8Confident82 Ų8276.6 Ų76.638%0.3839%0.388SS..Hα-helixtrans-67.6-40.8178.3-62174.9000111.2F598 R600 S601 T605 T606 D607F598-H603 HydrophobicContact CB-CB 4.45Å; F598-H603 HydrophobicContact CD1-CB 3.72Å; F598-H603 HydrophobicContact CE1-CB 4.32Å; F598-H603 HydrophobicContact CG-CB 4.3Å; R600-H603 PolarHBondContact O-N 2.84Å; S601-H603 VanDerWaalsContact C-N 3.31Å; S601-H603 PolarHBondContact O-N 3.14Å; H603-T605 PolarHBondContact O-N 3.19Å; H603-T606 PolarHBondContact O-N 3.17Å; H603-D607 WeakPolarHBondContact O-CB 3.49Å; H603-D607 PolarHBondContact O-N 3.49Å
604L79.2Confident77.3Confident19 Ų1975 Ų7510%0.09938%0.383CS..Hα-helixtrans-59.8-43.1172.7176.763.7000112.2W591 F598 R600 S601 K608W591-L604 HydrophobicContact CB-CD1 3.6Å; W591-L604 HydrophobicContact CD2-CD1 4.32Å; W591-L604 HydrophobicContact CE3-CD1 4.38Å; W591-L604 HydrophobicContact CG-CD1 4.02Å; F598-L604 HydrophobicContact CD2-CB 3.82Å; F598-L604 HydrophobicContact CD2-CD1 3.81Å; F598-L604 HydrophobicContact CD2-CG 4.4Å; F598-L604 HydrophobicContact CE2-CB 4.33Å; F598-L604 HydrophobicContact CE2-CD1 3.75Å; F598-L604 HydrophobicContact CG-CB 4.31Å; R600-L604 PolarHBondContact O-N 3.26Å; S601-L604 PolarHBondContact O-N 3.23Å; L604-K608 HydrophobicContact CD1-CD 4.36Å; L604-K608 HydrophobicContact CD1-CG 4.37Å; L604-K608 HydrophobicContact CG-CD 4.36Å; L604-K608 WeakPolarHBondContact O-CB 3.44Å; L604-K608 VanDerWaalsContact O-CG 3.27Å; L604-K608 WeakPolarHBondContact O-CG 3.48Å; L604-K608 PolarHBondContact O-N 3.06Å
605T78.9Confident77.5Confident77 Ų7773.8 Ų73.847%0.47238%0.38SS..Hα-helixtrans-65.7-40.1175.4290000112.5S601 S602 H603 K608 I609S601-T605 PolarHBondContact O-N 3.07Å; S601-T605 PolarHBondContact O-OG1 2.85Å; S602-T605 VanDerWaalsContact CA-OG1 3.26Å; S602-T605 WeakPolarHBondContact CA-OG1 3.34Å; S602-T605 PolarHBondContact O-N 3.32Å; S602-T605 PolarHBondContact O-OG1 3.01Å; H603-T605 PolarHBondContact O-N 3.19Å; T605-K608 PolarHBondContact O-N 3.28Å; T605-I609 WeakPolarHBondContact O-CB 3.35Å; T605-I609 WeakPolarHBondContact O-CD1 3.16Å; T605-I609 WeakPolarHBondContact O-CG1 3.28Å; T605-I609 PolarHBondContact O-N 3.47Å
606T81Confident77.5Confident80 Ų8077.1 Ų77.149%0.49138%0.381SS..Hα-helixtrans-64.7-46.4176.8-53.80000111S602 H603 K608 I609 T610S602-T606 PolarHBondContact O-N 3.28Å; S602-T606 PolarHBondContact O-OG1 2.88Å; H603-T606 PolarHBondContact O-N 3.17Å; T606-K608 VanDerWaalsContact C-N 3.31Å; T606-K608 PolarHBondContact O-N 2.92Å; T606-I609 PolarHBondContact O-N 2.83Å; T606-I609 VanDerWaalsContact O-N 3.08Å; T606-T610 HydrophobicContact CG2-CG2 4.38Å; T606-T610 WeakPolarHBondContact O-CG2 3.33Å; T606-T610 PolarHBondContact O-N 3.39Å; T606-T610 PolarHBondContact O-OG1 2.77Å; T606-T610 VanDerWaalsContact O-OG1 3.13Å
607D80.5Confident76.7Confident34 Ų3480.3 Ų80.318%0.18240%0.397CS..Hα-helixtrans-62.6-37.4177.9-161.867.7000111.5W591 K596 F598 H603 T610 H611W591-D607 VanDerWaalsContact CE3-OD2 3.28Å; W591-D607 HydrophobicContact CZ3-CB 4.34Å; W591-D607 WeakPolarHBondContact CZ3-OD2 2.93Å; K596-D607 WeakPolarHBondContact CD-OD2 3.48Å; K596-D607 IonicContact NZ-OD1 3.08Å; K596-D607 PolarHBondContact NZ-OD1 2.83Å; K596-D607 IonicContact NZ-OD2 3.13Å; K596-D607 PolarHBondContact NZ-OD2 3.31Å; K596-D607 VanDerWaalsContact NZ-OD2 3.15Å; F598-D607 HydrophobicContact CE1-CB 4.37Å; F598-D607 HydrophobicContact CE2-CB 4.42Å; F598-D607 HydrophobicContact CZ-CB 3.76Å; F598-D607 WeakPolarHBondContact CZ-OD2 3.45Å; H603-D607 WeakPolarHBondContact O-CB 3.49Å; H603-D607 PolarHBondContact O-N 3.49Å; D607-T610 WeakPolarHBondContact CA-OG1 3.39Å; D607-T610 PolarHBondContact O-OG1 3.24Å; D607-H611 WeakPolarHBondContact O-CB 3.48Å; D607-H611 PolarHBondContact O-N 3.14Å
608K81.6Confident75.4Confident79 Ų7987.7 Ų87.734%0.34344%0.439SS..Hα-helixtrans-64.7-43171-76.8-180178.2-173.60112.2W591 L604 T605 T606 W612W591-K608 HydrophobicContact CD2-CG 4.06Å; W591-K608 HydrophobicContact CE3-CG 4.16Å; W591-K608 HydrophobicContact CH2-CG 4.02Å; W591-K608 HydrophobicContact CZ2-CG 3.9Å; W591-K608 HydrophobicContact CZ3-CG 4.14Å; L604-K608 HydrophobicContact CD1-CD 4.36Å; L604-K608 HydrophobicContact CD1-CG 4.37Å; L604-K608 HydrophobicContact CG-CD 4.36Å; L604-K608 WeakPolarHBondContact O-CB 3.44Å; L604-K608 VanDerWaalsContact O-CG 3.27Å; L604-K608 WeakPolarHBondContact O-CG 3.48Å; L604-K608 PolarHBondContact O-N 3.06Å; T605-K608 PolarHBondContact O-N 3.28Å; T606-K608 VanDerWaalsContact C-N 3.31Å; T606-K608 PolarHBondContact O-N 2.92Å; K608-W612 WeakPolarHBondContact O-CB 3.46Å; K608-W612 PolarHBondContact O-N 3.09Å
609I81.9Confident75.4Confident87 Ų8790.4 Ų90.445%0.44645%0.454SS..Hα-helixtrans-68-42.7-179.7-70.6163.2000110.9T605 T606 W612 R613T605-I609 WeakPolarHBondContact O-CB 3.35Å; T605-I609 WeakPolarHBondContact O-CD1 3.16Å; T605-I609 WeakPolarHBondContact O-CG1 3.28Å; T605-I609 PolarHBondContact O-N 3.47Å; T606-I609 PolarHBondContact O-N 2.83Å; T606-I609 VanDerWaalsContact O-N 3.08Å; I609-W612 PolarHBondContact O-N 3.45Å; I609-R613 VanDerWaalsContact O-CG 3.31Å; I609-R613 WeakPolarHBondContact O-CG 3.43Å; I609-R613 PolarHBondContact O-N 3.37Å
610T80.1Confident75.4Confident52 Ų5292.7 Ų92.732%0.31947%0.465SS..Hα-helixtrans-63.7-45.5177.250.60000110.5T606 D607 W612 R613 E614T606-T610 HydrophobicContact CG2-CG2 4.38Å; T606-T610 WeakPolarHBondContact O-CG2 3.33Å; T606-T610 PolarHBondContact O-N 3.39Å; T606-T610 PolarHBondContact O-OG1 2.77Å; T606-T610 VanDerWaalsContact O-OG1 3.13Å; D607-T610 WeakPolarHBondContact CA-OG1 3.39Å; D607-T610 PolarHBondContact O-OG1 3.24Å; T610-W612 PolarHBondContact O-N 3.22Å; T610-R613 WeakPolarHBondContact O-CB 3.41Å; T610-R613 PolarHBondContact O-N 3.49Å; T610-R613 VanDerWaalsContact O-N 3.11Å; T610-E614 WeakPolarHBondContact O-CG 3.36Å; T610-E614 PolarHBondContact O-N 3Å
611H80.6Confident75.5Confident38 Ų3891.9 Ų91.918%0.17647%0.468CS..Hα-helixtrans-62.6-41.2176.3-177.868000113.4W591 F594 D607 R613 E614 I615W591-H611 HydrophobicContact CH2-CB 3.58Å; W591-H611 AromaticContact CH2-CD2 3.48Å; W591-H611 VanDerWaalsContact CH2-CD2 3.48Å; W591-H611 WeakPolarHBondContact CH2-CD2 3.39Å; W591-H611 AromaticContact CH2-CG 3.6Å; W591-H611 AromaticContact CZ2-CD2 3.78Å; W591-H611 HydrophobicContact CZ3-CB 4.25Å; F594-H611 AromaticContact CE2-CD2 3.85Å; F594-H611 AromaticContact CE2-CE1 3.71Å; F594-H611 AromaticContact CE2-NE2 3.19Å; F594-H611 WeakPolarHBondContact CE2-NE2 3.22Å; F594-H611 AromaticContact CZ-CE1 3.33Å; F594-H611 WeakPolarHBondContact CZ-CE1 3.36Å; F594-H611 AromaticContact CZ-NE2 3.18Å; F594-H611 WeakPolarHBondContact CZ-NE2 3.48Å; D607-H611 WeakPolarHBondContact O-CB 3.48Å; D607-H611 PolarHBondContact O-N 3.14Å; H611-R613 VanDerWaalsContact C-N 3.29Å; H611-R613 PolarHBondContact O-N 3.32Å; H611-E614 PolarHBondContact O-N 3.16Å; H611-I615 WeakPolarHBondContact NE2-CD1 3.38Å; H611-I615 WeakPolarHBondContact O-CG1 3.32Å; H611-I615 PolarHBondContact O-N 3.15Å
612W74.1Confident75.5Confident149 Ų14994 Ų9456%0.56447%0.473SS*.Hα-helixtrans-66-32.1174.1-85.8113.1000112.6K608 I609 T610 L616K608-W612 WeakPolarHBondContact O-CB 3.46Å; K608-W612 PolarHBondContact O-N 3.09Å; I609-W612 PolarHBondContact O-N 3.45Å; T610-W612 PolarHBondContact O-N 3.22Å; W612-L616 WeakPolarHBondContact O-CB 3.38Å; W612-L616 WeakPolarHBondContact O-CD1 2.92Å; W612-L616 VanDerWaalsContact O-CG 3.22Å; W612-L616 WeakPolarHBondContact O-CG 3.42Å; W612-L616 PolarHBondContact O-N 3.1Å
613R78.8Confident75.3Confident163 Ų16396.3 Ų96.362%0.61548%0.477SS*.Hα-helixtrans-69.2-39.4173.1-75.9174177.7179.7-2.3112.1I609 T610 H611 L616 Q617I609-R613 VanDerWaalsContact O-CG 3.31Å; I609-R613 WeakPolarHBondContact O-CG 3.43Å; I609-R613 PolarHBondContact O-N 3.37Å; T610-R613 WeakPolarHBondContact O-CB 3.41Å; T610-R613 PolarHBondContact O-N 3.49Å; T610-R613 VanDerWaalsContact O-N 3.11Å; H611-R613 VanDerWaalsContact C-N 3.29Å; H611-R613 PolarHBondContact O-N 3.32Å; R613-L616 PolarHBondContact O-N 3.42Å; R613-Q617 WeakPolarHBondContact O-CB 3.17Å; R613-Q617 WeakPolarHBondContact O-CG 3.4Å; R613-Q617 PolarHBondContact O-N 2.82Å; R613-Q617 VanDerWaalsContact O-N 3.15Å
614E76.3Confident75.1Confident118 Ų11897.3 Ų97.355%0.55148%0.484SS*.Hα-helixtrans-65.1-41.7175-72.3164.9-174.900111.4T610 H611 L616 Q617 V618T610-E614 WeakPolarHBondContact O-CG 3.36Å; T610-E614 PolarHBondContact O-N 3Å; H611-E614 PolarHBondContact O-N 3.16Å; E614-L616 VanDerWaalsContact C-N 3.34Å; E614-L616 PolarHBondContact O-N 3.04Å; E614-Q617 PolarHBondContact O-N 2.94Å; E614-V618 PolarHBondContact O-N 2.83Å
615I74Confident74.8Confident72 Ų72102.9 Ų102.937%0.36951%0.511SS..Hα-helixtrans-65.3-35.3174.8-71.4172000112.3H611 Q617H611-I615 WeakPolarHBondContact NE2-CD1 3.38Å; H611-I615 WeakPolarHBondContact O-CG1 3.32Å; H611-I615 PolarHBondContact O-N 3.15Å; I615-Q617 VanDerWaalsContact C-N 3.3Å
616L70.4Confident74.5Confident139 Ų139104.8 Ų104.873%0.72851%0.514SS*.THydrogen-bonded Turntrans-82-7.1179.8-72.3168.4000113.5W612 R613 E614W612-L616 WeakPolarHBondContact O-CB 3.38Å; W612-L616 WeakPolarHBondContact O-CD1 2.92Å; W612-L616 VanDerWaalsContact O-CG 3.22Å; W612-L616 WeakPolarHBondContact O-CG 3.42Å; W612-L616 PolarHBondContact O-N 3.1Å; R613-L616 PolarHBondContact O-N 3.42Å; E614-L616 VanDerWaalsContact C-N 3.34Å; E614-L616 PolarHBondContact O-N 3.04Å
617Q60.1Low73.9Confident169 Ų169106.9 Ų106.979%0.7952%0.516SS*.THydrogen-bonded Turntrans-99.6-5.9175.9-82-177.6-32.400113.5R613 E614 I615R613-Q617 WeakPolarHBondContact O-CB 3.17Å; R613-Q617 WeakPolarHBondContact O-CG 3.4Å; R613-Q617 PolarHBondContact O-N 2.82Å; R613-Q617 VanDerWaalsContact O-N 3.15Å; E614-Q617 PolarHBondContact O-N 2.94Å; I615-Q617 VanDerWaalsContact C-N 3.3Å
618V49Very low73.3Confident183 Ų183113.5 Ų113.5100%1.10955%0.546SS*.  trans-103.50169.2-179.50000108.1E614E614-V618 PolarHBondContact O-N 2.83Å

Retrieved 618 of 618 residues in 219.9 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).