A0A087XBR0_POEFO Loading...

ATP-dependent RNA helicase TDRD9

AlphaFold DB , UniProt , Accession A0A087XBR0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,267 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1P32Very low55.5Low185 Ų18594.6 Ų94.6100%1.20159%0.585SS**  095.9020.92.6000110.7
2C35Very low58Low93 Ų9386.8 Ų86.863%0.62854%0.536SS*.  trans-91.9130.4168.4-74.30000108.1
3S39Very low60Low89 Ų8983 Ų8362%0.62251%0.513SS*.  trans-39.7142.7174.451.70000113.8F5S3-F5 PolarHBondContact O-N 3.46Å
4S46.2Very low61.7Low124 Ų12490.1 Ų90.187%0.86753%0.533SS*.  trans-42.4109.4174.850.40000112.2
5F53.2Low63.1Low61 Ų6185.7 Ų85.727%0.26851%0.506SS..PPolyproline II helixtrans-76.6120.5176.5169-106.1000109.6S3 C7 Q80S3-F5 PolarHBondContact O-N 3.46Å; F5-C7 HydrophobicContact CE1-CB 4.1Å; F5-Q80 WeakPolarHBondContact CD2-O 3.25Å; F5-Q80 HydrophobicContact CE2-CB 3.98Å; F5-Q80 WeakPolarHBondContact CE2-O 3.27Å; F5-Q80 HydrophobicContact CZ-CB 4.47Å
6E55.5Low64.6Low186 Ų18684.8 Ų84.887%0.86949%0.494SS*.PPolyproline II helixtrans-79.9116.2167.8-81.8-177.4162.600109.4
7C58.3Low66Low46 Ų4689.7 Ų89.731%0.31151%0.511SS..PPolyproline II helixtrans-71.9131.7-179.1-173.30000110.5F5 T13 Q42F5-C7 HydrophobicContact CE1-CB 4.1Å; C7-T13 HydrophobicContact CB-CG2 4.29Å; C7-Q42 PolarHBondContact SG-OE1 2.82Å
8P63.7Low67.3Low43 Ų4391.3 Ų91.328%0.27951%0.514SS..PPolyproline II helixtrans-57.3142.6173.6-11.318.2000111.5L10 T13P8-L10 VanDerWaalsContact C-N 3.33Å; P8-L10 HydrophobicContact CB-CD1 4.35Å; P8-L10 HydrophobicContact CB-CG 4.3Å; P8-L10 PolarHBondContact O-N 3.45Å; P8-T13 PolarHBondContact O-OG1 2.79Å
9S69.1Low68.5Low128 Ų12886.5 Ų86.590%0.89549%0.487SS*.  trans-71.688174.3-173.60000110.1
10L77.3Confident69.7Low49 Ų4983 Ų8326%0.25747%0.466SS..  trans-114.4156.4175.4-70.7170.5000109.5P8 I12 T13 Q42P8-L10 VanDerWaalsContact C-N 3.33Å; P8-L10 HydrophobicContact CB-CD1 4.35Å; P8-L10 HydrophobicContact CB-CG 4.3Å; P8-L10 PolarHBondContact O-N 3.45Å; L10-I12 VanDerWaalsContact C-N 3.27Å; L10-I12 PolarHBondContact O-N 3.09Å; L10-T13 PolarHBondContact N-OG1 3.09Å; L10-T13 VanDerWaalsContact O-CB 3.26Å; L10-T13 WeakPolarHBondContact O-CB 3.48Å; L10-T13 PolarHBondContact O-N 3.16Å; L10-T13 PolarHBondContact O-OG1 3.31Å; L10-Q42 HydrophobicContact CD1-CG 3.64Å
11P81.1Confident70.7Confident37 Ų3782.5 Ų82.524%0.2447%0.468CS..G310 helixtrans-45.8-48.6178-35.340.4000114.3T13 K14 V193 E194P11-T13 PolarHBondContact O-N 3.42Å; P11-T13 VanDerWaalsContact O-N 3.16Å; P11-K14 PolarHBondContact O-N 3.43Å; P11-V193 HydrophobicContact CB-CG1 4.24Å; P11-E194 WeakPolarHBondContact CB-O 3.31Å
12I85.3Confident73.5Confident0 Ų076.1 Ų76.10%042%0.422CS..G310 helixtrans-66-17.8-178.3-159.6166.6000114.4L10 K14 D15 L19 S37 K39 Q42 L43 F46 V193L10-I12 VanDerWaalsContact C-N 3.27Å; L10-I12 PolarHBondContact O-N 3.09Å; I12-K14 VanDerWaalsContact C-N 3.27Å; I12-K14 PolarHBondContact O-N 3.45Å; I12-D15 PolarHBondContact O-N 3.31Å; I12-L19 HydrophobicContact CD1-CD1 4.17Å; I12-L19 HydrophobicContact CG1-CD1 3.7Å; I12-S37 VanDerWaalsContact CB-O 3.31Å; I12-S37 WeakPolarHBondContact CB-O 3.43Å; I12-S37 VanDerWaalsContact CG2-O 3.27Å; I12-S37 WeakPolarHBondContact CG2-O 3.43Å; I12-S37 PolarHBondContact N-O 2.84Å; I12-S37 VanDerWaalsContact N-O 3.16Å; I12-K39 HydrophobicContact CD1-CB 4.35Å; I12-K39 HydrophobicContact CD1-CG 4.01Å; I12-Q42 HydrophobicContact CG2-CB 3.84Å; I12-Q42 HydrophobicContact CG2-CG 4.17Å; I12-L43 HydrophobicContact CD1-CB 4Å; I12-F46 HydrophobicContact CG2-CE2 4.25Å; I12-V193 HydrophobicContact CB-CG1 3.92Å; I12-V193 HydrophobicContact CD1-CG2 4.2Å; I12-V193 HydrophobicContact CG1-CG1 4.18Å; I12-V193 HydrophobicContact CG1-CG2 4.11Å
13T84.8Confident76.2Confident38 Ų3871.9 Ų71.923%0.23339%0.393CS..G310 helixtrans-67.6-29.9-177.5-52.10000111.6C7 P8 L10 P11 D15 K16 F46C7-T13 HydrophobicContact CB-CG2 4.29Å; P8-T13 PolarHBondContact O-OG1 2.79Å; L10-T13 PolarHBondContact N-OG1 3.09Å; L10-T13 VanDerWaalsContact O-CB 3.26Å; L10-T13 WeakPolarHBondContact O-CB 3.48Å; L10-T13 PolarHBondContact O-N 3.16Å; L10-T13 PolarHBondContact O-OG1 3.31Å; P11-T13 PolarHBondContact O-N 3.42Å; P11-T13 VanDerWaalsContact O-N 3.16Å; T13-D15 VanDerWaalsContact C-N 3.27Å; T13-D15 PolarHBondContact O-N 2.76Å; T13-K16 WeakPolarHBondContact O-CB 3.46Å; T13-K16 PolarHBondContact O-N 2.92Å; T13-F46 HydrophobicContact CG2-CZ 4.48Å
14K83.9Confident78.7Confident183 Ų18370.6 Ų70.680%0.79638%0.377SS*.THydrogen-bonded Turntrans-66.4-31.3176.7-63.6-178.5-178.5179.20112.6P11 I12 K16P11-K14 PolarHBondContact O-N 3.43Å; I12-K14 VanDerWaalsContact C-N 3.27Å; I12-K14 PolarHBondContact O-N 3.45Å; K14-K16 VanDerWaalsContact C-N 3.35Å
15D82.2Confident80.8Confident23 Ų2369 Ų6912%0.12337%0.366CS..THydrogen-bonded Turntrans-91.85.9-174.7-63.8-36.4000113I12 T13 E17 Q18 L19 Y191I12-D15 PolarHBondContact O-N 3.31Å; T13-D15 VanDerWaalsContact C-N 3.27Å; T13-D15 PolarHBondContact O-N 2.76Å; D15-E17 PolarHBondContact O-N 3.33Å; D15-Q18 PolarHBondContact O-N 3.37Å; D15-L19 HydrophobicContact CB-CD1 3.6Å; D15-L19 HydrophobicContact CB-CG 4.32Å; D15-L19 WeakPolarHBondContact O-CB 3.27Å; D15-L19 PolarHBondContact O-N 2.95Å; D15-Y191 HydrophobicContact CB-CE1 3.96Å; D15-Y191 WeakPolarHBondContact CB-OH 3.36Å; D15-Y191 VanDerWaalsContact CG-OH 3.3Å; D15-Y191 PolarHBondContact OD1-OH 2.82Å
16K87.1Confident82.6Confident72 Ų7267.5 Ų67.531%0.31336%0.361SS..Hα-helixtrans-51-56.6-168.5178-177.7175-169.60113.4T13 K14 I20 F46T13-K16 WeakPolarHBondContact O-CB 3.46Å; T13-K16 PolarHBondContact O-N 2.92Å; K14-K16 VanDerWaalsContact C-N 3.35Å; K16-I20 HydrophobicContact CG-CD1 3.95Å; K16-I20 WeakPolarHBondContact O-CD1 3.42Å; K16-I20 VanDerWaalsContact O-CG1 3.27Å; K16-I20 WeakPolarHBondContact O-CG1 3.28Å; K16-I20 PolarHBondContact O-N 3.26Å; K16-I20 VanDerWaalsContact O-N 3.12Å; K16-F46 HydrophobicContact CB-CD2 4.19Å; K16-F46 HydrophobicContact CB-CE2 4.08Å; K16-F46 HydrophobicContact CB-CZ 4.42Å; K16-F46 HydrophobicContact CD-CD1 3.97Å; K16-F46 HydrophobicContact CD-CE1 4.12Å; K16-F46 HydrophobicContact CD-CG 4.22Å; K16-F46 HydrophobicContact CD-CZ 4.48Å; K16-F46 HydrophobicContact CG-CB 4.3Å; K16-F46 HydrophobicContact CG-CD1 4.12Å; K16-F46 HydrophobicContact CG-CD2 3.88Å; K16-F46 HydrophobicContact CG-CE1 4.4Å; K16-F46 HydrophobicContact CG-CE2 4.16Å; K16-F46 HydrophobicContact CG-CG 3.86Å; K16-F46 HydrophobicContact CG-CZ 4.41Å
17E88.5Confident84.3Confident168 Ų16861.1 Ų61.179%0.78534%0.336SS*.Hα-helixtrans-67.5-40.4-175.1-66.7-172.117600112.1D15 I20 S21D15-E17 PolarHBondContact O-N 3.33Å; E17-I20 PolarHBondContact O-N 3.47Å; E17-S21 WeakPolarHBondContact O-CB 3.3Å; E17-S21 PolarHBondContact O-N 2.91Å
18Q89.3Confident86Confident119 Ų11959.4 Ų59.456%0.55632%0.324SS*.Hα-helixtrans-64.4-46.6178.8-169.9175.9-3.800111.2D15 I20 S21 F22 Y191D15-Q18 PolarHBondContact O-N 3.37Å; Q18-I20 PolarHBondContact O-N 3.39Å; Q18-S21 PolarHBondContact O-N 2.8Å; Q18-F22 VanDerWaalsContact O-CB 3.3Å; Q18-F22 WeakPolarHBondContact O-CB 3.11Å; Q18-F22 PolarHBondContact O-N 3.48Å; Q18-Y191 HydrophobicContact CG-CE2 3.93Å; Q18-Y191 PolarHBondContact OE1-OH 3.18Å
19L90.3Very high87.5Confident0 Ų057.4 Ų57.40%031%0.311CS..Hα-helixtrans-60.4-44.3176.7-92155.1000112.4I12 D15 F22 I23 V31 L43 Y191I12-L19 HydrophobicContact CD1-CD1 4.17Å; I12-L19 HydrophobicContact CG1-CD1 3.7Å; D15-L19 HydrophobicContact CB-CD1 3.6Å; D15-L19 HydrophobicContact CB-CG 4.32Å; D15-L19 WeakPolarHBondContact O-CB 3.27Å; D15-L19 PolarHBondContact O-N 2.95Å; L19-F22 PolarHBondContact O-N 3.47Å; L19-I23 VanDerWaalsContact O-CG1 3.29Å; L19-I23 WeakPolarHBondContact O-CG1 3.49Å; L19-I23 PolarHBondContact O-N 3.4Å; L19-V31 HydrophobicContact CD2-CG1 4.36Å; L19-V31 HydrophobicContact CD2-CG2 3.91Å; L19-L43 HydrophobicContact CB-CD1 4.25Å; L19-L43 HydrophobicContact CD1-CD1 4.39Å; L19-L43 HydrophobicContact CD2-CD1 4.3Å; L19-Y191 HydrophobicContact CD1-CD1 4.26Å; L19-Y191 HydrophobicContact CD1-CE1 3.97Å; L19-Y191 HydrophobicContact CD2-CD1 3.74Å; L19-Y191 HydrophobicContact CD2-CE1 4.18Å; L19-Y191 HydrophobicContact CD2-CG 3.94Å; L19-Y191 HydrophobicContact CG-CD1 3.91Å; L19-Y191 HydrophobicContact CG-CE1 3.8Å; L19-Y191 HydrophobicContact CG-CE2 4.49Å; L19-Y191 HydrophobicContact CG-CG 4.32Å
20I91.8Very high88.7Confident16 Ų1651.3 Ų51.38%0.08227%0.269CS..Hα-helixtrans-61.1-51.1177.8-68.6164.8000110.2K16 E17 Q18 F22 I23 E24 F46 H50K16-I20 HydrophobicContact CG-CD1 3.95Å; K16-I20 WeakPolarHBondContact O-CD1 3.42Å; K16-I20 VanDerWaalsContact O-CG1 3.27Å; K16-I20 WeakPolarHBondContact O-CG1 3.28Å; K16-I20 PolarHBondContact O-N 3.26Å; K16-I20 VanDerWaalsContact O-N 3.12Å; E17-I20 PolarHBondContact O-N 3.47Å; Q18-I20 PolarHBondContact O-N 3.39Å; I20-F22 PolarHBondContact O-N 2.62Å; I20-I23 PolarHBondContact O-N 2.93Å; I20-E24 HydrophobicContact CG2-CG 4.42Å; I20-E24 WeakPolarHBondContact O-CG 3.28Å; I20-E24 PolarHBondContact O-N 3.2Å; I20-F46 HydrophobicContact CD1-CB 4.19Å; I20-F46 HydrophobicContact CG1-CB 4.36Å; I20-H50 HydrophobicContact CD1-CB 4.25Å; I20-H50 HydrophobicContact CG2-CB 4.28Å
21S91.5Very high89.5Confident72 Ų7249 Ų4950%0.50326%0.256SS..Hα-helixtrans-56.5-38.7177.9-179.20000112E17 Q18 E24 S25E17-S21 WeakPolarHBondContact O-CB 3.3Å; E17-S21 PolarHBondContact O-N 2.91Å; Q18-S21 PolarHBondContact O-N 2.8Å; S21-E24 PolarHBondContact O-N 2.83Å; S21-S25 WeakPolarHBondContact O-CB 3.31Å; S21-S25 PolarHBondContact O-N 2.88Å; S21-S25 VanDerWaalsContact O-N 3.11Å; S21-S25 PolarHBondContact O-OG 3.2Å
22F90Very high89.9Confident52 Ų5249.7 Ų49.723%0.22825%0.254CS..Hα-helixtrans-69.1-40.7180-153-108.7000113.1Q18 L19 I20 S25 N26 V29 Y189Q18-F22 VanDerWaalsContact O-CB 3.3Å; Q18-F22 WeakPolarHBondContact O-CB 3.11Å; Q18-F22 PolarHBondContact O-N 3.48Å; L19-F22 PolarHBondContact O-N 3.47Å; I20-F22 PolarHBondContact O-N 2.62Å; F22-S25 PolarHBondContact O-N 3.22Å; F22-N26 PolarHBondContact O-N 3.06Å; F22-N26 PolarHBondContact O-ND2 2.65Å; F22-V29 HydrophobicContact CD1-CG1 3.85Å; F22-V29 HydrophobicContact CD1-CG2 4.01Å; F22-V29 HydrophobicContact CE1-CG1 4.21Å; F22-V29 HydrophobicContact CE1-CG2 4.47Å; F22-Y189 HydrophobicContact CE1-CD1 4.46Å; F22-Y189 AromaticContact CE1-CG 3.91Å; F22-Y189 HydrophobicContact CE1-CG 3.91Å; F22-Y189 HydrophobicContact CE2-CD1 4.43Å; F22-Y189 HydrophobicContact CE2-CG 4.48Å; F22-Y189 AromaticContact CZ-CD1 3.64Å; F22-Y189 HydrophobicContact CZ-CD1 3.64Å; F22-Y189 HydrophobicContact CZ-CD2 4.27Å; F22-Y189 HydrophobicContact CZ-CE1 4.49Å; F22-Y189 AromaticContact CZ-CG 3.5Å; F22-Y189 HydrophobicContact CZ-CG 3.5Å; F22-Y189 VanDerWaalsContact CZ-CG 3.5Å
23I93.3Very high89.9Confident3 Ų350 Ų502%0.01526%0.257CS..Hα-helixtrans-69.8-37.5176.2-66.5167.1000111L19 I20 S25 N26 V29 L43 I47 K160 I162L19-I23 VanDerWaalsContact O-CG1 3.29Å; L19-I23 WeakPolarHBondContact O-CG1 3.49Å; L19-I23 PolarHBondContact O-N 3.4Å; I20-I23 PolarHBondContact O-N 2.93Å; I23-S25 VanDerWaalsContact C-N 3.29Å; I23-S25 PolarHBondContact O-N 3.11Å; I23-N26 PolarHBondContact O-N 2.95Å; I23-V29 HydrophobicContact CG1-CB 4.28Å; I23-V29 HydrophobicContact CG1-CG1 4.37Å; I23-V29 HydrophobicContact CG1-CG2 4.12Å; I23-L43 HydrophobicContact CD1-CD1 4.07Å; I23-L43 HydrophobicContact CD1-CD2 4.45Å; I23-I47 HydrophobicContact CD1-CD1 3.9Å; I23-I47 HydrophobicContact CG2-CD1 4.02Å; I23-K160 WeakPolarHBondContact O-CE 3.27Å; I23-K160 PolarHBondContact O-NZ 3.4Å; I23-K160 VanDerWaalsContact O-NZ 3.15Å; I23-I162 HydrophobicContact CD1-CG1 4.17Å; I23-I162 HydrophobicContact CG1-CG1 4.36Å; I23-I162 HydrophobicContact CG2-CD1 4.22Å; I23-I162 HydrophobicContact CG2-CG1 4.25Å
24E91.2Very high89.5Confident63 Ų6349.7 Ų49.729%0.29426%0.259SS..Hα-helixtrans-61.8-38.9174.7-73.8-65.4108.300111.9I20 S21 Y51 K160I20-E24 HydrophobicContact CG2-CG 4.42Å; I20-E24 WeakPolarHBondContact O-CG 3.28Å; I20-E24 PolarHBondContact O-N 3.2Å; S21-E24 PolarHBondContact O-N 2.83Å; E24-Y51 VanDerWaalsContact OE1-CE2 3.23Å; E24-Y51 WeakPolarHBondContact OE1-CE2 3.2Å; E24-Y51 VanDerWaalsContact OE1-CZ 3.25Å; E24-Y51 PolarHBondContact OE1-OH 3.41Å; E24-Y51 PolarHBondContact OE2-OH 3.41Å; E24-K160 PolarHBondContact O-NZ 3.03Å
25S90.4Very high89Confident91 Ų9142.4 Ų42.464%0.63623%0.23SC*.Hα-helixtrans-78.9-18.7-175.8-57.10000114.3S21 F22 I23S21-S25 WeakPolarHBondContact O-CB 3.31Å; S21-S25 PolarHBondContact O-N 2.88Å; S21-S25 VanDerWaalsContact O-N 3.11Å; S21-S25 PolarHBondContact O-OG 3.2Å; F22-S25 PolarHBondContact O-N 3.22Å; I23-S25 VanDerWaalsContact C-N 3.29Å; I23-S25 PolarHBondContact O-N 3.11Å
26N90.7Very high88.6Confident29 Ų2943.9 Ų43.916%0.15525%0.25CS..  trans-124.8147.5-171.7-66.8-72.6000112.2F22 I23 V29 K160 Y189F22-N26 PolarHBondContact O-N 3.06Å; F22-N26 PolarHBondContact O-ND2 2.65Å; I23-N26 PolarHBondContact O-N 2.95Å; N26-V29 HydrophobicContact CB-CG2 3.73Å; N26-K160 WeakPolarHBondContact O-CD 3.26Å; N26-K160 PolarHBondContact O-NZ 3.46Å; N26-Y189 WeakPolarHBondContact OD1-CD2 3.46Å; N26-Y189 WeakPolarHBondContact OD1-CE2 3.23Å
27S90.4Very high88.2Confident52 Ų5240.6 Ų40.636%0.36424%0.237SC..SBendtrans-77.4-34.7175.9-110000111.8I161S27-I161 PolarHBondContact O-N 2.83Å
28V94.6Very high87.8Confident9 Ų933.1 Ų33.16%0.05521%0.205CC..EExtended strand (participates in β ladder)trans-130.2129.5178.7-171.50000109.5L152 I161 F177 A188V28-L152 HydrophobicContact CG2-CD2 3.7Å; V28-I161 VanDerWaalsContact CA-O 3.3Å; V28-I161 WeakPolarHBondContact CA-O 3.38Å; V28-I161 HydrophobicContact CG1-CB 4.4Å; V28-I161 HydrophobicContact CG1-CG2 4.35Å; V28-I161 HydrophobicContact CG2-CB 4.29Å; V28-F177 HydrophobicContact CB-CB 4.38Å; V28-F177 HydrophobicContact CG1-CB 3.93Å; V28-F177 HydrophobicContact CG1-CD1 4.12Å; V28-F177 HydrophobicContact CG1-CG 3.95Å; V28-F177 HydrophobicContact CG2-CB 4.4Å; V28-F177 HydrophobicContact CG2-CD1 3.98Å; V28-F177 HydrophobicContact CG2-CG 4.48Å; V28-A188 HydrophobicContact CB-CB 4.25Å; V28-A188 HydrophobicContact CG1-CB 4.19Å
29V95Very high87.8Confident1 Ų128 Ų281%0.00618%0.18CC..EExtended strand (participates in β ladder)trans-129.8136.4175.3177.60000109.7F22 I23 N26 V31 I161 I162 L163F22-V29 HydrophobicContact CD1-CG1 3.85Å; F22-V29 HydrophobicContact CD1-CG2 4.01Å; F22-V29 HydrophobicContact CE1-CG1 4.21Å; F22-V29 HydrophobicContact CE1-CG2 4.47Å; I23-V29 HydrophobicContact CG1-CB 4.28Å; I23-V29 HydrophobicContact CG1-CG1 4.37Å; I23-V29 HydrophobicContact CG1-CG2 4.12Å; N26-V29 HydrophobicContact CB-CG2 3.73Å; V29-V31 HydrophobicContact CG1-CG2 4.08Å; V29-I161 PolarHBondContact N-O 3.14Å; V29-I162 CarbonylContact O-C 3.56Å; V29-I162 WeakPolarHBondContact O-CA 3.12Å; V29-L163 PolarHBondContact O-N 2.87Å
30I94.9Very high87.7Confident0 Ų029 Ų290%019%0.187CC..EExtended strand (participates in β ladder)trans-105.8120173.9-59.2163.7000108.2L163 C170 F173 A174 A188 Y189 V190 Y191I30-L163 CarbonylContact C-O 3.59Å; I30-L163 WeakPolarHBondContact CA-O 3.43Å; I30-L163 HydrophobicContact CG1-CB 4.09Å; I30-L163 HydrophobicContact CG1-CD1 4.08Å; I30-L163 HydrophobicContact CG1-CG 4.39Å; I30-C170 HydrophobicContact CG2-CB 4.05Å; I30-F173 HydrophobicContact CD1-CB 3.79Å; I30-A174 HydrophobicContact CD1-CB 3.69Å; I30-A174 VanDerWaalsContact CD1-N 3.27Å; I30-A188 HydrophobicContact CD1-CB 4.33Å; I30-Y189 PolarHBondContact N-O 3.38Å; I30-V190 HydrophobicContact CB-CG2 4.17Å; I30-V190 HydrophobicContact CD1-CG2 4.14Å; I30-V190 HydrophobicContact CG2-CG1 4.4Å; I30-V190 HydrophobicContact CG2-CG2 4.44Å; I30-V190 CarbonylContact O-C 3.49Å; I30-V190 WeakPolarHBondContact O-CA 3.38Å; I30-Y191 PolarHBondContact O-N 3.01Å
31V92.9Very high87.6Confident0 Ų029.4 Ų29.40%019%0.19CC..EExtended strand (participates in β ladder)trans-104.9111.5178.1-175.40000109.3L19 V29 K39 L43 I162 L163 M164 S165 V193L19-V31 HydrophobicContact CD2-CG1 4.36Å; L19-V31 HydrophobicContact CD2-CG2 3.91Å; V29-V31 HydrophobicContact CG1-CG2 4.08Å; V31-K39 HydrophobicContact CG1-CD 4.03Å; V31-K39 HydrophobicContact CG1-CG 4.07Å; V31-L43 HydrophobicContact CB-CD2 4.44Å; V31-L43 HydrophobicContact CG1-CD2 4.4Å; V31-L43 HydrophobicContact CG2-CD2 3.88Å; V31-I162 HydrophobicContact CG2-CG2 3.94Å; V31-L163 PolarHBondContact N-O 3.35Å; V31-M164 HydrophobicContact CB-CG 4.42Å; V31-M164 WeakPolarHBondContact O-CA 3.32Å; V31-S165 PolarHBondContact O-N 3.32Å; V31-V193 HydrophobicContact CG1-CG2 3.72Å
32R89.7Confident87.6Confident52 Ų5226 Ų2620%0.19617%0.166CC..EExtended strand (participates in β ladder)trans-97.6134.4177.1-175.3179.1174.8-133.5-15.5109.8S165 T167 V190 Y191 E192 V193R32-S165 WeakPolarHBondContact CA-O 3.31Å; R32-T167 PolarHBondContact NE-O 2.94Å; R32-V190 HydrophobicContact CB-CG1 4.26Å; R32-Y191 PolarHBondContact N-O 3.18Å; R32-E192 IonicContact CZ-OE1 2.76Å; R32-E192 VanDerWaalsContact CZ-OE1 3.28Å; R32-E192 IonicContact NH1-OE1 2.65Å; R32-E192 PolarHBondContact NH1-OE1 2.89Å; R32-E192 IonicContact NH1-OE2 2.62Å; R32-E192 PolarHBondContact NH1-OE2 2.92Å; R32-E192 VanDerWaalsContact NH1-OE2 3.11Å; R32-E192 IonicContact NH2-OE1 2.8Å; R32-V193 PolarHBondContact O-N 3.29Å
33G84.6Confident87.7Confident6 Ų623.5 Ų23.56%0.06216%0.155CC..  trans-175.5153.5169.600000112.4K39 S165 A166G33-K39 VanDerWaalsContact O-CE 3.26Å; G33-K39 WeakPolarHBondContact O-CE 3.48Å; G33-K39 PolarHBondContact O-NZ 3.12Å; G33-S165 PolarHBondContact N-O 2.82Å; G33-A166 WeakPolarHBondContact O-CA 3.47Å
34A76.7Confident87.8Confident33 Ų3323.3 Ų23.327%0.27315%0.154SC..  trans-60.3161.6-177.900000113.2G36 S37 K39A34-G36 PolarHBondContact O-N 3.34Å; A34-S37 VanDerWaalsContact O-CB 3.32Å; A34-S37 WeakPolarHBondContact O-CB 3.39Å; A34-S37 PolarHBondContact O-N 3.4Å; A34-S37 VanDerWaalsContact O-N 3.17Å; A34-S37 PolarHBondContact O-OG 3.46Å; A34-K39 PolarHBondContact O-NZ 3.14Å
35T74.6Confident87.9Confident29 Ų2920.3 Ų20.318%0.17814%0.14CC..THydrogen-bonded Turntrans-59.7132.2171.257.30000110A166T35-A166 HydrophobicContact CG2-CB 4.2Å
36G72.4Confident88.1Confident54 Ų5416.2 Ų16.256%0.55711%0.111SC*.THydrogen-bonded Turntrans93.3-4.5-175.400000114.9A34 G38A34-G36 PolarHBondContact O-N 3.34Å; G36-G38 PolarHBondContact O-N 3.23Å
37S78.8Confident88.2Confident3 Ų315 Ų152%0.02110%0.104CC..SBendtrans-68.9-14.2178.567.70000115.1I12 A34 K39I12-S37 VanDerWaalsContact CB-O 3.31Å; I12-S37 WeakPolarHBondContact CB-O 3.43Å; I12-S37 VanDerWaalsContact CG2-O 3.27Å; I12-S37 WeakPolarHBondContact CG2-O 3.43Å; I12-S37 PolarHBondContact N-O 2.84Å; I12-S37 VanDerWaalsContact N-O 3.16Å; A34-S37 VanDerWaalsContact O-CB 3.32Å; A34-S37 WeakPolarHBondContact O-CB 3.39Å; A34-S37 PolarHBondContact O-N 3.4Å; A34-S37 VanDerWaalsContact O-N 3.17Å; A34-S37 PolarHBondContact O-OG 3.46Å; S37-K39 WeakPolarHBondContact OG-CG 3.49Å; S37-K39 PolarHBondContact OG-NZ 2.89Å
38G81.7Confident88.4Confident11 Ų1113 Ų1311%0.1139%0.09CC..SBendtrans95.32.6178.700000115.9G36 T40 T41 Q42G36-G38 PolarHBondContact O-N 3.23Å; G38-T40 PolarHBondContact O-N 2.78Å; G38-T41 PolarHBondContact O-N 3.48Å; G38-T41 PolarHBondContact O-OG1 2.85Å; G38-Q42 WeakPolarHBondContact O-CB 3.33Å; G38-Q42 PolarHBondContact O-N 3.38Å
39K88.1Confident88.2Confident11 Ų1113.9 Ų13.95%0.0489%0.094CC..Hα-helixtrans-45.9-58.8180-67.5176.3-46.7-63.20113.3I12 V31 G33 A34 S37 T41 L43 M164I12-K39 HydrophobicContact CD1-CB 4.35Å; I12-K39 HydrophobicContact CD1-CG 4.01Å; V31-K39 HydrophobicContact CG1-CD 4.03Å; V31-K39 HydrophobicContact CG1-CG 4.07Å; G33-K39 VanDerWaalsContact O-CE 3.26Å; G33-K39 WeakPolarHBondContact O-CE 3.48Å; G33-K39 PolarHBondContact O-NZ 3.12Å; A34-K39 PolarHBondContact O-NZ 3.14Å; S37-K39 WeakPolarHBondContact OG-CG 3.49Å; S37-K39 PolarHBondContact OG-NZ 2.89Å; K39-T41 VanDerWaalsContact C-N 3.33Å; K39-T41 PolarHBondContact O-N 3.04Å; K39-L43 VanDerWaalsContact O-CB 3.25Å; K39-L43 WeakPolarHBondContact O-CB 3.07Å; K39-L43 PolarHBondContact O-N 2.97Å; K39-M164 HydrophobicContact CB-SD 3.95Å
40T89.2Confident88Confident22 Ų2215.6 Ų15.614%0.13510%0.102CC..Hα-helixtrans-65.1-33.5-173.6-45.80000113.7G38 Q64 I73 Y107 D132G38-T40 PolarHBondContact O-N 2.78Å; T40-Q64 VanDerWaalsContact CG2-NE2 3.28Å; T40-I73 HydrophobicContact CG2-CD1 3.64Å; T40-I73 HydrophobicContact CG2-CG2 4.28Å; T40-Y107 PolarHBondContact O-OH 3.21Å; T40-D132 VanDerWaalsContact CB-OD2 3.27Å; T40-D132 WeakPolarHBondContact CB-OD2 3.3Å; T40-D132 WeakPolarHBondContact CG2-OD2 3.43Å; T40-D132 PolarHBondContact OG1-OD2 3.37Å
41T89.6Confident87.8Confident24 Ų2417.2 Ų17.215%0.14711%0.108CC..Hα-helixtrans-96.8-41.6-173.1560000112.9G38 K39 Q45 I73 V77G38-T41 PolarHBondContact O-N 3.48Å; G38-T41 PolarHBondContact O-OG1 2.85Å; K39-T41 VanDerWaalsContact C-N 3.33Å; K39-T41 PolarHBondContact O-N 3.04Å; T41-Q45 WeakPolarHBondContact O-CG 3.29Å; T41-Q45 PolarHBondContact O-NE2 3.09Å; T41-I73 HydrophobicContact CG2-CG2 4.22Å; T41-V77 HydrophobicContact CG2-CG2 4.31Å
42Q90.8Very high87.6Confident0 Ų023 Ų230%014%0.139CC..Hα-helixtrans-92.5-40.2-170.7-56.3-50.3-64.300112.9C7 L10 I12 G38 Q45 F46C7-Q42 PolarHBondContact SG-OE1 2.82Å; L10-Q42 HydrophobicContact CD1-CG 3.64Å; I12-Q42 HydrophobicContact CG2-CB 3.84Å; I12-Q42 HydrophobicContact CG2-CG 4.17Å; G38-Q42 WeakPolarHBondContact O-CB 3.33Å; G38-Q42 PolarHBondContact O-N 3.38Å; Q42-Q45 WeakPolarHBondContact O-CA 3.13Å; Q42-Q45 WeakPolarHBondContact O-CB 3.44Å; Q42-Q45 PolarHBondContact O-N 3.14Å; Q42-F46 HydrophobicContact CB-CE1 4.04Å; Q42-F46 HydrophobicContact CB-CE2 4Å; Q42-F46 HydrophobicContact CB-CZ 3.66Å; Q42-F46 WeakPolarHBondContact O-CD1 3.37Å; Q42-F46 WeakPolarHBondContact O-CG 3.41Å; Q42-F46 PolarHBondContact O-N 3.11Å
43L92.7Very high87.6Confident0 Ų027.4 Ų27.40%016%0.162CC..Hα-helixtrans-60.4-43.7-174.3-173.860.9000113.5I12 L19 I23 V31 K39 Q45 F46 I47 F130 I162 M164I12-L43 HydrophobicContact CD1-CB 4Å; L19-L43 HydrophobicContact CB-CD1 4.25Å; L19-L43 HydrophobicContact CD1-CD1 4.39Å; L19-L43 HydrophobicContact CD2-CD1 4.3Å; I23-L43 HydrophobicContact CD1-CD1 4.07Å; I23-L43 HydrophobicContact CD1-CD2 4.45Å; V31-L43 HydrophobicContact CB-CD2 4.44Å; V31-L43 HydrophobicContact CG1-CD2 4.4Å; V31-L43 HydrophobicContact CG2-CD2 3.88Å; K39-L43 VanDerWaalsContact O-CB 3.25Å; K39-L43 WeakPolarHBondContact O-CB 3.07Å; K39-L43 PolarHBondContact O-N 2.97Å; L43-Q45 VanDerWaalsContact C-N 3.26Å; L43-Q45 PolarHBondContact O-N 3.06Å; L43-F46 HydrophobicContact CD1-CD2 4.36Å; L43-F46 PolarHBondContact O-N 3.14Å; L43-I47 PolarHBondContact O-N 3.47Å; L43-F130 HydrophobicContact CB-CE1 4.38Å; L43-F130 HydrophobicContact CD2-CE1 3.77Å; L43-F130 HydrophobicContact CG-CE1 3.79Å; L43-F130 HydrophobicContact CG-CZ 4.27Å; L43-I162 HydrophobicContact CD2-CG2 4.17Å; L43-M164 HydrophobicContact CD2-SD 4.38Å
44P95.2Very high87.6Confident0 Ų032.5 Ų32.50%018%0.183CC..Hα-helixtrans-62.2-33.4174.2-2334.8000113L48 I60 V62 L105 F130P44-L48 WeakPolarHBondContact O-CB 3.5Å; P44-L48 PolarHBondContact O-N 2.82Å; P44-I60 HydrophobicContact CB-CG2 4.31Å; P44-I60 WeakPolarHBondContact O-CD1 3.44Å; P44-V62 HydrophobicContact CB-CG2 3.92Å; P44-V62 HydrophobicContact CG-CG2 3.62Å; P44-L105 HydrophobicContact CB-CD1 3.68Å; P44-L105 HydrophobicContact CB-CD2 4.17Å; P44-F130 HydrophobicContact CB-CE2 4.4Å; P44-F130 HydrophobicContact CB-CZ 4.41Å; P44-F130 HydrophobicContact CG-CD1 4.42Å; P44-F130 HydrophobicContact CG-CE1 4.26Å; P44-F130 HydrophobicContact CG-CE2 4.48Å; P44-F130 HydrophobicContact CG-CZ 4.26Å
45Q93.4Very high88Confident0 Ų037.6 Ų37.60%021%0.21CC..Hα-helixtrans-69.6-40.3177-63.6-173.979.500111.4T41 Q42 L43 I47 L48 D49 V77 R81 L105T41-Q45 WeakPolarHBondContact O-CG 3.29Å; T41-Q45 PolarHBondContact O-NE2 3.09Å; Q42-Q45 WeakPolarHBondContact O-CA 3.13Å; Q42-Q45 WeakPolarHBondContact O-CB 3.44Å; Q42-Q45 PolarHBondContact O-N 3.14Å; L43-Q45 VanDerWaalsContact C-N 3.26Å; L43-Q45 PolarHBondContact O-N 3.06Å; Q45-I47 VanDerWaalsContact C-N 3.32Å; Q45-I47 PolarHBondContact O-N 2.91Å; Q45-L48 PolarHBondContact O-N 2.81Å; Q45-D49 WeakPolarHBondContact O-CB 3.31Å; Q45-D49 VanDerWaalsContact O-CG 3.25Å; Q45-D49 PolarHBondContact O-N 2.89Å; Q45-V77 HydrophobicContact CG-CG1 3.96Å; Q45-R81 VanDerWaalsContact OE1-CD 3.3Å; Q45-L105 HydrophobicContact CG-CD2 4.41Å
46F93.4Very high88.5Confident4 Ų438.4 Ų38.42%0.01822%0.22CC..Hα-helixtrans-58.4-43.2176.8-63.1-17.7000112.3I12 T13 K16 I20 Q42 L43 H50I12-F46 HydrophobicContact CG2-CE2 4.25Å; T13-F46 HydrophobicContact CG2-CZ 4.48Å; K16-F46 HydrophobicContact CB-CD2 4.19Å; K16-F46 HydrophobicContact CB-CE2 4.08Å; K16-F46 HydrophobicContact CB-CZ 4.42Å; K16-F46 HydrophobicContact CD-CD1 3.97Å; K16-F46 HydrophobicContact CD-CE1 4.12Å; K16-F46 HydrophobicContact CD-CG 4.22Å; K16-F46 HydrophobicContact CD-CZ 4.48Å; K16-F46 HydrophobicContact CG-CB 4.3Å; K16-F46 HydrophobicContact CG-CD1 4.12Å; K16-F46 HydrophobicContact CG-CD2 3.88Å; K16-F46 HydrophobicContact CG-CE1 4.4Å; K16-F46 HydrophobicContact CG-CE2 4.16Å; K16-F46 HydrophobicContact CG-CG 3.86Å; K16-F46 HydrophobicContact CG-CZ 4.41Å; I20-F46 HydrophobicContact CD1-CB 4.19Å; I20-F46 HydrophobicContact CG1-CB 4.36Å; Q42-F46 HydrophobicContact CB-CE1 4.04Å; Q42-F46 HydrophobicContact CB-CE2 4Å; Q42-F46 HydrophobicContact CB-CZ 3.66Å; Q42-F46 WeakPolarHBondContact O-CD1 3.37Å; Q42-F46 WeakPolarHBondContact O-CG 3.41Å; Q42-F46 PolarHBondContact O-N 3.11Å; L43-F46 HydrophobicContact CD1-CD2 4.36Å; L43-F46 PolarHBondContact O-N 3.14Å; F46-H50 WeakPolarHBondContact O-CB 3.34Å; F46-H50 PolarHBondContact O-N 2.97Å
47I94.1Very high89Confident4 Ų441.3 Ų41.32%0.02123%0.232CC..Hα-helixtrans-67.2-45.5175.4-60.4-170.1000111I23 L43 Q45 D49 H50 Y51 I60 F130 I162I23-I47 HydrophobicContact CD1-CD1 3.9Å; I23-I47 HydrophobicContact CG2-CD1 4.02Å; L43-I47 PolarHBondContact O-N 3.47Å; Q45-I47 VanDerWaalsContact C-N 3.32Å; Q45-I47 PolarHBondContact O-N 2.91Å; I47-D49 VanDerWaalsContact C-N 3.29Å; I47-D49 PolarHBondContact O-N 3.24Å; I47-H50 PolarHBondContact O-N 3.1Å; I47-Y51 HydrophobicContact CG2-CD2 3.84Å; I47-Y51 HydrophobicContact CG2-CE2 4Å; I47-Y51 WeakPolarHBondContact O-CD2 3.37Å; I47-Y51 PolarHBondContact O-N 3.03Å; I47-I60 HydrophobicContact CB-CD1 4.04Å; I47-I60 HydrophobicContact CG2-CD1 3.93Å; I47-F130 HydrophobicContact CD1-CE2 3.99Å; I47-F130 HydrophobicContact CD1-CZ 3.46Å; I47-F130 VanDerWaalsContact CD1-CZ 3.46Å; I47-F130 HydrophobicContact CG1-CZ 4.36Å; I47-I162 HydrophobicContact CD1-CD1 4.49Å
48L93.2Very high89.7Confident11 Ų1141.7 Ų41.76%0.05824%0.235CC..Hα-helixtrans-57.9-44.8179.7-175.165.3000111.5P44 Q45 N52 I60 L88 R104 L105P44-L48 WeakPolarHBondContact O-CB 3.5Å; P44-L48 PolarHBondContact O-N 2.82Å; Q45-L48 PolarHBondContact O-N 2.81Å; L48-N52 VanDerWaalsContact O-CB 3.26Å; L48-N52 WeakPolarHBondContact O-CB 3.42Å; L48-N52 PolarHBondContact O-N 3.28Å; L48-I60 HydrophobicContact CB-CD1 3.94Å; L48-I60 HydrophobicContact CD1-CD1 4.46Å; L48-L88 HydrophobicContact CD2-CD1 4.24Å; L48-L88 HydrophobicContact CD2-CD2 4.18Å; L48-L88 HydrophobicContact CD2-CG 4.2Å; L48-R104 HydrophobicContact CD1-CB 3.86Å; L48-L105 HydrophobicContact CD2-CB 4.23Å
49D91.5Very high90.3Very high27 Ų2742.8 Ų42.814%0.14424%0.238CC..Hα-helixtrans-66.2-44.6179-68.3-28.1000111.2Q45 I47 Y51 N52 E53 R81Q45-D49 WeakPolarHBondContact O-CB 3.31Å; Q45-D49 VanDerWaalsContact O-CG 3.25Å; Q45-D49 PolarHBondContact O-N 2.89Å; I47-D49 VanDerWaalsContact C-N 3.29Å; I47-D49 PolarHBondContact O-N 3.24Å; D49-Y51 PolarHBondContact O-N 2.72Å; D49-N52 PolarHBondContact O-N 3.46Å; D49-E53 WeakPolarHBondContact O-CG 3.2Å; D49-E53 PolarHBondContact O-N 2.84Å; D49-R81 IonicContact OD1-CZ 3.66Å; D49-R81 VanDerWaalsContact OD1-CZ 3.31Å; D49-R81 IonicContact OD1-NH1 3.95Å; D49-R81 PolarHBondContact OD1-NH1 3.23Å; D49-R81 VanDerWaalsContact OD1-NH1 3.1Å; D49-R81 IonicContact OD1-NH2 3.39Å; D49-R81 PolarHBondContact OD1-NH2 3.05Å; D49-R81 IonicContact OD2-NH1 3.31Å; D49-R81 PolarHBondContact OD2-NH1 2.89Å; D49-R81 VanDerWaalsContact OD2-NH1 3.11Å; D49-R81 IonicContact OD2-NH2 3.47Å
50H91.3Very high90.7Very high36 Ų3642.3 Ų42.317%0.16724%0.235CC..Hα-helixtrans-58.4-44.6177.7-176.770.6000113.3I20 F46 I47 K54I20-H50 HydrophobicContact CD1-CB 4.25Å; I20-H50 HydrophobicContact CG2-CB 4.28Å; F46-H50 WeakPolarHBondContact O-CB 3.34Å; F46-H50 PolarHBondContact O-N 2.97Å; I47-H50 PolarHBondContact O-N 3.1Å; H50-K54 VanDerWaalsContact CE1-CE 3.45Å; H50-K54 WeakPolarHBondContact CE1-CE 3.41Å; H50-K54 PolarHBondContact CE1-NZ 3.33Å; H50-K54 WeakPolarHBondContact NE2-CE 3.28Å; H50-K54 PolarHBondContact NE2-NZ 3.38Å; H50-K54 PolarHBondContact O-N 3.32Å
51Y90.2Very high91.1Very high34 Ų3441.2 Ų41.213%0.13323%0.229CC..Hα-helixtrans-73.6-32.2178.9-86-103.9000112.5E24 I47 D49 K54 T55 A56 C58 H128E24-Y51 VanDerWaalsContact OE1-CE2 3.23Å; E24-Y51 WeakPolarHBondContact OE1-CE2 3.2Å; E24-Y51 VanDerWaalsContact OE1-CZ 3.25Å; E24-Y51 PolarHBondContact OE1-OH 3.41Å; E24-Y51 PolarHBondContact OE2-OH 3.41Å; I47-Y51 HydrophobicContact CG2-CD2 3.84Å; I47-Y51 HydrophobicContact CG2-CE2 4Å; I47-Y51 WeakPolarHBondContact O-CD2 3.37Å; I47-Y51 PolarHBondContact O-N 3.03Å; D49-Y51 PolarHBondContact O-N 2.72Å; Y51-K54 CarbonylContact O-C 3.59Å; Y51-K54 PolarHBondContact O-N 3.24Å; Y51-T55 PolarHBondContact O-N 3.15Å; Y51-T55 VanDerWaalsContact O-N 3.12Å; Y51-A56 HydrophobicContact CD1-CB 3.71Å; Y51-A56 HydrophobicContact CE1-CB 4.34Å; Y51-A56 PolarHBondContact O-N 3.39Å; Y51-C58 HydrophobicContact CD1-CB 4.07Å; Y51-C58 HydrophobicContact CG-CB 3.91Å; Y51-H128 AromaticContact CE2-CE1 3.6Å; Y51-H128 AromaticContact CE2-NE2 3.81Å; Y51-H128 AromaticContact CZ-CE1 3.61Å
52N88.4Confident91.5Very high123 Ų12340.1 Ų40.166%0.65822%0.222SC*.Hα-helixtrans-67.6-39.6174.5-173.167.9000111.6L48 D49 K54 T55L48-N52 VanDerWaalsContact O-CB 3.26Å; L48-N52 WeakPolarHBondContact O-CB 3.42Å; L48-N52 PolarHBondContact O-N 3.28Å; D49-N52 PolarHBondContact O-N 3.46Å; N52-K54 VanDerWaalsContact C-N 3.3Å; N52-K54 PolarHBondContact O-N 3.46Å; N52-T55 PolarHBondContact O-N 3.42Å
53E88.6Confident91.8Very high143 Ų14340.1 Ų40.167%0.66822%0.222SC*.Hα-helixtrans-61.6-36.9172-73.8169.1-170.500112.1D49 T55D49-E53 WeakPolarHBondContact O-CG 3.2Å; D49-E53 PolarHBondContact O-N 2.84Å; E53-T55 VanDerWaalsContact C-N 3.31Å; E53-T55 PolarHBondContact O-N 3.18Å
54K86.6Confident91.8Very high114 Ų11440.4 Ų40.450%0.49622%0.223SC..THydrogen-bonded Turntrans-81.6-0.1176-73.9-179.6169.5175.30114.5H50 Y51 N52 A56H50-K54 VanDerWaalsContact CE1-CE 3.45Å; H50-K54 WeakPolarHBondContact CE1-CE 3.41Å; H50-K54 PolarHBondContact CE1-NZ 3.33Å; H50-K54 WeakPolarHBondContact NE2-CE 3.28Å; H50-K54 PolarHBondContact NE2-NZ 3.38Å; H50-K54 PolarHBondContact O-N 3.32Å; Y51-K54 CarbonylContact O-C 3.59Å; Y51-K54 PolarHBondContact O-N 3.24Å; N52-K54 VanDerWaalsContact C-N 3.3Å; N52-K54 PolarHBondContact O-N 3.46Å; K54-A56 HydrophobicContact CB-CB 4.44Å; K54-A56 PolarHBondContact O-N 2.79Å
55T84.1Confident91.3Very high139 Ų13941.8 Ų41.885%0.85323%0.233SC*.THydrogen-bonded Turntrans52.231-17359.30000114.3Y51 N52 E53Y51-T55 PolarHBondContact O-N 3.15Å; Y51-T55 VanDerWaalsContact O-N 3.12Å; N52-T55 PolarHBondContact O-N 3.42Å; E53-T55 VanDerWaalsContact C-N 3.31Å; E53-T55 PolarHBondContact O-N 3.18Å
56A84.3Confident90.7Very high47 Ų4744.8 Ų44.839%0.38824%0.244SC..  trans-97.7150.4179.800000111.2Y51 K54 C58Y51-A56 HydrophobicContact CD1-CB 3.71Å; Y51-A56 HydrophobicContact CE1-CB 4.34Å; Y51-A56 PolarHBondContact O-N 3.39Å; K54-A56 HydrophobicContact CB-CB 4.44Å; K54-A56 PolarHBondContact O-N 2.79Å; A56-C58 PolarHBondContact O-N 3.05Å
57S84.5Confident90.2Very high115 Ų11549.1 Ų49.180%0.80426%0.263SS*.  trans-68.5129.2177.157.10000110.7
58C91.9Very high89.6Confident11 Ų1150.8 Ų50.87%0.07427%0.271CS..  trans-138.5126.7179.7-170.80000110.3Y51 A56 I60 R104Y51-C58 HydrophobicContact CD1-CB 4.07Å; Y51-C58 HydrophobicContact CG-CB 3.91Å; A56-C58 PolarHBondContact O-N 3.05Å; C58-I60 VanDerWaalsContact SG-CG1 3.51Å; C58-R104 WeakPolarHBondContact O-CD 3.49Å
59N95Very high89Confident34 Ų3450.4 Ų50.418%0.18227%0.27CS..  trans-134.2113174.5-167.824000108.9E125 S127 H128N59-E125 PolarHBondContact ND2-O 2.98Å; N59-S127 PolarHBondContact N-OG 3.02Å; N59-S127 PolarHBondContact O-N 3.24Å; N59-S127 PolarHBondContact O-OG 3.22Å; N59-H128 PolarHBondContact O-N 2.97Å
60I97.6Very high88.9Confident0 Ų049.1 Ų49.10%026%0.263CS..EExtended strand (participates in β ladder)trans-112.2129.3-170-53-179000109.2P44 I47 L48 C58 V62 R104 L105 I106 H128 F130P44-I60 HydrophobicContact CB-CG2 4.31Å; P44-I60 WeakPolarHBondContact O-CD1 3.44Å; I47-I60 HydrophobicContact CB-CD1 4.04Å; I47-I60 HydrophobicContact CG2-CD1 3.93Å; L48-I60 HydrophobicContact CB-CD1 3.94Å; L48-I60 HydrophobicContact CD1-CD1 4.46Å; C58-I60 VanDerWaalsContact SG-CG1 3.51Å; I60-V62 HydrophobicContact CG2-CG2 4.19Å; I60-R104 PolarHBondContact N-O 3.35Å; I60-L105 HydrophobicContact CB-CD1 3.91Å; I60-L105 HydrophobicContact CG2-CD1 3.71Å; I60-L105 WeakPolarHBondContact O-CA 3.5Å; I60-I106 PolarHBondContact O-N 3.41Å; I60-H128 WeakPolarHBondContact CA-O 3.45Å; I60-H128 HydrophobicContact CG1-CB 4.24Å; I60-H128 HydrophobicContact CG2-CB 4.31Å; I60-F130 HydrophobicContact CG2-CD2 3.63Å; I60-F130 HydrophobicContact CG2-CE2 3.55Å
61V97.7Very high88.7Confident0 Ų048 Ų480%026%0.259CS..EExtended strand (participates in β ladder)trans-113.7135.8167.260.10000110.6I106 M108 L113 Y126 H128 I129 F130V61-I106 WeakPolarHBondContact CA-O 2.95Å; V61-I106 HydrophobicContact CB-CG2 4.09Å; V61-I106 HydrophobicContact CG2-CG2 4.18Å; V61-M108 HydrophobicContact CB-CE 4.4Å; V61-M108 HydrophobicContact CG2-CE 3.45Å; V61-M108 VanDerWaalsContact CG2-CE 3.45Å; V61-M108 HydrophobicContact CG2-CG 3.59Å; V61-M108 HydrophobicContact CG2-SD 3.54Å; V61-M108 VanDerWaalsContact CG2-SD 3.54Å; V61-L113 HydrophobicContact CG1-CD1 4.29Å; V61-L113 HydrophobicContact CG1-CD2 4.19Å; V61-L113 HydrophobicContact CG2-CD1 4.24Å; V61-L113 HydrophobicContact CG2-CD2 4.24Å; V61-Y126 HydrophobicContact CB-CD1 3.65Å; V61-Y126 HydrophobicContact CB-CD2 4.43Å; V61-Y126 HydrophobicContact CB-CE1 3.74Å; V61-Y126 HydrophobicContact CB-CG 4.03Å; V61-Y126 HydrophobicContact CG1-CD1 3.68Å; V61-Y126 HydrophobicContact CG1-CD2 3.76Å; V61-Y126 HydrophobicContact CG1-CE1 4.11Å; V61-Y126 HydrophobicContact CG1-CE2 4.19Å; V61-Y126 HydrophobicContact CG1-CG 3.49Å; V61-Y126 VanDerWaalsContact CG1-CG 3.49Å; V61-Y126 HydrophobicContact CG2-CE1 4.45Å; V61-H128 PolarHBondContact N-O 2.64Å; V61-I129 HydrophobicContact CG1-CB 4.09Å; V61-I129 HydrophobicContact CG1-CG1 3.74Å; V61-I129 HydrophobicContact CG1-CG2 4.05Å; V61-F130 PolarHBondContact O-N 2.87Å
62V97.7Very high88.3Confident0 Ų048.9 Ų48.90%027%0.27CS..EExtended strand (participates in β ladder)trans-121.5118174-172.40000109.1P44 I60 L105 I106 Y107 M108 F130 M164P44-V62 HydrophobicContact CB-CG2 3.92Å; P44-V62 HydrophobicContact CG-CG2 3.62Å; I60-V62 HydrophobicContact CG2-CG2 4.19Å; V62-L105 HydrophobicContact CG2-CD1 3.82Å; V62-I106 PolarHBondContact N-O 3.48Å; V62-Y107 HydrophobicContact CB-CD1 3.6Å; V62-Y107 HydrophobicContact CB-CE1 3.68Å; V62-Y107 HydrophobicContact CB-CG 4.38Å; V62-Y107 HydrophobicContact CG1-CD1 3.82Å; V62-Y107 HydrophobicContact CG1-CE1 3.72Å; V62-Y107 HydrophobicContact CG2-CD1 4.27Å; V62-Y107 HydrophobicContact CG2-CE1 3.91Å; V62-Y107 CarbonylContact O-C 3.57Å; V62-Y107 VanDerWaalsContact O-CA 3.3Å; V62-Y107 WeakPolarHBondContact O-CA 3.34Å; V62-M108 PolarHBondContact O-N 3.48Å; V62-F130 HydrophobicContact CB-CB 4.12Å; V62-F130 HydrophobicContact CG1-CB 3.9Å; V62-F130 HydrophobicContact CG2-CB 3.96Å; V62-F130 HydrophobicContact CG2-CD2 4.13Å; V62-F130 HydrophobicContact CG2-CG 4.15Å; V62-M164 HydrophobicContact CG1-CE 4.16Å
63T96.3Very high88.3Confident0 Ų044.3 Ų44.30%025%0.245CC..EExtended strand (participates in β ladder)trans-81.3150.1175.661.70000111.4M108 L113 F130 V131 D132 L144T63-M108 CarbonylContact C-O 3.47Å; T63-M108 WeakPolarHBondContact CA-O 3.41Å; T63-L113 HydrophobicContact CG2-CB 3.96Å; T63-L113 HydrophobicContact CG2-CD2 3.33Å; T63-L113 HydrophobicContact CG2-CG 4.28Å; T63-F130 PolarHBondContact N-O 3.19Å; T63-F130 PolarHBondContact OG1-O 3.31Å; T63-F130 VanDerWaalsContact OG1-O 3.08Å; T63-V131 VanDerWaalsContact OG1-CA 3.31Å; T63-V131 WeakPolarHBondContact OG1-CA 3.46Å; T63-D132 VanDerWaalsContact O-CB 3.26Å; T63-D132 WeakPolarHBondContact O-CB 3.26Å; T63-L144 HydrophobicContact CG2-CD2 4.06Å
64Q92.1Very high88.5Confident6 Ų637.5 Ų37.53%0.02821%0.213CC..EExtended strand (participates in β ladder)trans-135.2141.7171.8-71.6-66.9-56.100108.6T40 R66 A70 I73 M108 T109 T110 D132T40-Q64 VanDerWaalsContact CG2-NE2 3.28Å; Q64-R66 PolarHBondContact O-N 2.77Å; Q64-A70 HydrophobicContact CB-CB 4.08Å; Q64-A70 HydrophobicContact CG-CB 4.31Å; Q64-I73 HydrophobicContact CG-CD1 4.09Å; Q64-M108 PolarHBondContact N-O 3.46Å; Q64-T109 VanDerWaalsContact O-CA 3.27Å; Q64-T109 WeakPolarHBondContact O-CA 3.47Å; Q64-T110 PolarHBondContact O-N 3.19Å; Q64-D132 VanDerWaalsContact NE2-CB 3.31Å; Q64-D132 PolarHBondContact NE2-OD2 3.17Å
65P84.4Confident88.7Confident30 Ų3037.8 Ų37.820%0.19521%0.211CC..SBendtrans-66-24.5-179.623.7-32.6000112.8E133 E136P65-E133 HydrophobicContact CG-CB 4.1Å; P65-E133 HydrophobicContact CG-CG 4.23Å; P65-E136 WeakPolarHBondContact CB-OE2 3.41Å; P65-E136 WeakPolarHBondContact CG-OE2 3.13Å
66R82.4Confident88.8Confident62 Ų6238.5 Ų38.523%0.23420%0.198CC..SBendtrans-130.7146.3-172.6-51.4-166.7-156.6-1659.9113.3Q64 I68 G69 A70 N328 S333Q64-R66 PolarHBondContact O-N 2.77Å; R66-I68 VanDerWaalsContact C-N 3.31Å; R66-I68 HydrophobicContact CB-CG2 4.37Å; R66-I68 PolarHBondContact O-N 2.83Å; R66-G69 PolarHBondContact O-N 3.05Å; R66-A70 PolarHBondContact O-N 3.36Å; R66-A70 VanDerWaalsContact O-N 3.17Å; R66-N328 PolarHBondContact NH2-O 2.97Å; R66-N328 VanDerWaalsContact NH2-O 3.16Å; R66-S333 WeakPolarHBondContact CD-OG 3.42Å; R66-S333 VanDerWaalsContact CG-OG 3.23Å; R66-S333 WeakPolarHBondContact CG-OG 3.4Å; R66-S333 PolarHBondContact NE-OG 2.84Å
67K83.3Confident89.1Confident95 Ų9536.3 Ų36.341%0.41318%0.18SC..Hα-helixtrans-55.3-43.2178.2-61-166.6-176.8-170.20112.7G69 A70 T71 V93 A94 T109K67-G69 VanDerWaalsContact C-N 3.29Å; K67-G69 PolarHBondContact O-N 3.09Å; K67-A70 PolarHBondContact O-N 3.07Å; K67-T71 WeakPolarHBondContact O-CB 3.48Å; K67-T71 VanDerWaalsContact O-CG2 3.28Å; K67-T71 WeakPolarHBondContact O-CG2 3.46Å; K67-T71 PolarHBondContact O-N 2.86Å; K67-T71 PolarHBondContact O-OG1 2.81Å; K67-V93 HydrophobicContact CB-CB 4.31Å; K67-V93 HydrophobicContact CB-CG1 4.28Å; K67-V93 HydrophobicContact CD-CB 4.3Å; K67-V93 HydrophobicContact CD-CG2 4.32Å; K67-V93 HydrophobicContact CG-CB 4.05Å; K67-V93 HydrophobicContact CG-CG1 4.44Å; K67-V93 HydrophobicContact CG-CG2 4.49Å; K67-A94 PolarHBondContact NZ-O 3.26Å; K67-T109 HydrophobicContact CB-CG2 4.5Å; K67-T109 HydrophobicContact CG-CG2 4.03Å
68I79.6Confident89.5Confident40 Ų4031 Ų3121%0.20514%0.143CC..Hα-helixtrans-64.3-34.9179.3-165.4165.4000111.9R66 T71 S72 F313 V334R66-I68 VanDerWaalsContact C-N 3.31Å; R66-I68 HydrophobicContact CB-CG2 4.37Å; R66-I68 PolarHBondContact O-N 2.83Å; I68-T71 WeakPolarHBondContact CA-OG1 3.07Å; I68-T71 PolarHBondContact O-OG1 3.32Å; I68-S72 WeakPolarHBondContact O-CB 3.14Å; I68-S72 PolarHBondContact O-N 3.46Å; I68-S72 PolarHBondContact O-OG 2.78Å; I68-F313 HydrophobicContact CD1-CE2 4.45Å; I68-F313 HydrophobicContact CD1-CZ 4.44Å; I68-V334 HydrophobicContact CD1-CG2 4.32Å; I68-V334 HydrophobicContact CG2-CG2 4.25Å
69G82.4Confident89.3Confident2 Ų233.8 Ų33.82%0.02117%0.167CC..Hα-helixtrans-62.9-57.1174.600000111R66 K67 T71 S72 I73R66-G69 PolarHBondContact O-N 3.05Å; K67-G69 VanDerWaalsContact C-N 3.29Å; K67-G69 PolarHBondContact O-N 3.09Å; G69-T71 VanDerWaalsContact C-N 3.34Å; G69-T71 PolarHBondContact O-N 2.88Å; G69-S72 PolarHBondContact O-N 2.86Å; G69-S72 PolarHBondContact O-OG 2.96Å; G69-I73 VanDerWaalsContact O-CB 3.32Å; G69-I73 WeakPolarHBondContact O-CB 3.5Å; G69-I73 WeakPolarHBondContact O-CD1 3.47Å; G69-I73 VanDerWaalsContact O-CG1 3.24Å; G69-I73 WeakPolarHBondContact O-CG1 3.36Å; G69-I73 PolarHBondContact O-N 2.85Å
70A88.8Confident88.9Confident0 Ų034 Ų340%017%0.167CC..Hα-helixtrans-55.8-46-179.900000112.9Q64 R66 K67 A74 V93Q64-A70 HydrophobicContact CB-CB 4.08Å; Q64-A70 HydrophobicContact CG-CB 4.31Å; R66-A70 PolarHBondContact O-N 3.36Å; R66-A70 VanDerWaalsContact O-N 3.17Å; K67-A70 PolarHBondContact O-N 3.07Å; A70-A74 VanDerWaalsContact O-CB 3.27Å; A70-A74 WeakPolarHBondContact O-CB 3.31Å; A70-A74 PolarHBondContact O-N 3.22Å; A70-A74 VanDerWaalsContact O-N 3.14Å; A70-V93 HydrophobicContact CB-CG1 3.75Å
71T86.4Confident88.5Confident13 Ų1335.8 Ų35.88%0.0817%0.174CC..Hα-helixtrans-70.2-45.3-177.754.40000112.8K67 I68 G69 R75 Y91 V93K67-T71 WeakPolarHBondContact O-CB 3.48Å; K67-T71 VanDerWaalsContact O-CG2 3.28Å; K67-T71 WeakPolarHBondContact O-CG2 3.46Å; K67-T71 PolarHBondContact O-N 2.86Å; K67-T71 PolarHBondContact O-OG1 2.81Å; I68-T71 WeakPolarHBondContact CA-OG1 3.07Å; I68-T71 PolarHBondContact O-OG1 3.32Å; G69-T71 VanDerWaalsContact C-N 3.34Å; G69-T71 PolarHBondContact O-N 2.88Å; T71-R75 WeakPolarHBondContact O-CG 3.1Å; T71-R75 PolarHBondContact O-N 3.27Å; T71-R75 VanDerWaalsContact O-N 3.13Å; T71-Y91 HydrophobicContact CG2-CD2 3.71Å; T71-Y91 HydrophobicContact CG2-CE1 4.35Å; T71-Y91 HydrophobicContact CG2-CE2 3.54Å; T71-Y91 HydrophobicContact CG2-CG 4.21Å; T71-V93 HydrophobicContact CG2-CG1 4.16Å; T71-V93 HydrophobicContact CG2-CG2 4.26Å
72S83.2Confident88.1Confident53 Ų5344.3 Ų44.337%0.37121%0.211SC..Hα-helixtrans-68.8-42.1-178.761.60000112.1I68 G69 R75 W76I68-S72 WeakPolarHBondContact O-CB 3.14Å; I68-S72 PolarHBondContact O-N 3.46Å; I68-S72 PolarHBondContact O-OG 2.78Å; G69-S72 PolarHBondContact O-N 2.86Å; G69-S72 PolarHBondContact O-OG 2.96Å; S72-R75 PolarHBondContact O-N 2.81Å; S72-W76 WeakPolarHBondContact O-CB 3.23Å; S72-W76 PolarHBondContact O-N 2.76Å
73I88.6Confident87.7Confident26 Ų2645.4 Ų45.413%0.13322%0.218CC..Hα-helixtrans-65.5-45.3178.6-67.3161.8000110.6T40 T41 Q64 G69 R75 W76 V77 Y107T40-I73 HydrophobicContact CG2-CD1 3.64Å; T40-I73 HydrophobicContact CG2-CG2 4.28Å; T41-I73 HydrophobicContact CG2-CG2 4.22Å; Q64-I73 HydrophobicContact CG-CD1 4.09Å; G69-I73 VanDerWaalsContact O-CB 3.32Å; G69-I73 WeakPolarHBondContact O-CB 3.5Å; G69-I73 WeakPolarHBondContact O-CD1 3.47Å; G69-I73 VanDerWaalsContact O-CG1 3.24Å; G69-I73 WeakPolarHBondContact O-CG1 3.36Å; G69-I73 PolarHBondContact O-N 2.85Å; I73-R75 VanDerWaalsContact C-N 3.35Å; I73-R75 PolarHBondContact O-N 3.34Å; I73-W76 WeakPolarHBondContact O-CB 3.36Å; I73-W76 PolarHBondContact O-N 3.5Å; I73-V77 HydrophobicContact CG2-CG2 4.24Å; I73-V77 WeakPolarHBondContact O-CG2 3.47Å; I73-V77 PolarHBondContact O-N 3.25Å; I73-Y107 HydrophobicContact CB-CD1 4.38Å; I73-Y107 HydrophobicContact CB-CE1 4.45Å; I73-Y107 HydrophobicContact CG2-CD1 3.73Å; I73-Y107 HydrophobicContact CG2-CE1 3.35Å; I73-Y107 HydrophobicContact CG2-CE2 4.2Å; I73-Y107 HydrophobicContact CG2-CG 4.3Å
74A92.1Very high87.6Confident0 Ų052 Ų520%025%0.252CS..Hα-helixtrans-60.9-42.9177.500000112.3A70 V77 A78 L85 Y91 Y107A70-A74 VanDerWaalsContact O-CB 3.27Å; A70-A74 WeakPolarHBondContact O-CB 3.31Å; A70-A74 PolarHBondContact O-N 3.22Å; A70-A74 VanDerWaalsContact O-N 3.14Å; A74-V77 PolarHBondContact O-N 3.2Å; A74-A78 VanDerWaalsContact O-CB 3.26Å; A74-A78 WeakPolarHBondContact O-CB 3.19Å; A74-A78 PolarHBondContact O-N 3.4Å; A74-L85 HydrophobicContact CB-CD1 4.11Å; A74-Y91 HydrophobicContact CB-CD1 3.82Å; A74-Y91 HydrophobicContact CB-CG 4.29Å; A74-Y107 HydrophobicContact CB-CD2 3.8Å; A74-Y107 HydrophobicContact CB-CG 4.3Å
75R90.3Very high87.6Confident121 Ų12154 Ų5446%0.45726%0.263SS..Hα-helixtrans-60.8-44.7174.2-75.6178.7-169.8128.46.4111.7T71 S72 I73 A78 A79 L85 Y91T71-R75 WeakPolarHBondContact O-CG 3.1Å; T71-R75 PolarHBondContact O-N 3.27Å; T71-R75 VanDerWaalsContact O-N 3.13Å; S72-R75 PolarHBondContact O-N 2.81Å; I73-R75 VanDerWaalsContact C-N 3.35Å; I73-R75 PolarHBondContact O-N 3.34Å; R75-A78 PolarHBondContact O-N 3.19Å; R75-A79 WeakPolarHBondContact O-CB 3.4Å; R75-A79 PolarHBondContact O-N 2.82Å; R75-L85 HydrophobicContact CG-CD1 4.48Å; R75-L85 HydrophobicContact CG-CD2 3.55Å; R75-Y91 PolarHBondContact NH2-OH 3.21Å
76W86.9Confident87.9Confident154 Ų15453 Ų5358%0.58326%0.258SS*.Hα-helixtrans-61.5-49178.5-179.3-93.5000111.9S72 I73 A79 Q80S72-W76 WeakPolarHBondContact O-CB 3.23Å; S72-W76 PolarHBondContact O-N 2.76Å; I73-W76 WeakPolarHBondContact O-CB 3.36Å; I73-W76 PolarHBondContact O-N 3.5Å; W76-A79 PolarHBondContact O-N 2.9Å; W76-Q80 WeakPolarHBondContact O-CG 3.2Å; W76-Q80 PolarHBondContact O-N 2.63Å
77V90.9Very high88.4Confident0 Ų052.1 Ų52.10%026%0.261CS..Hα-helixtrans-67.2-38.3179.9174.60000111.5T41 Q45 I73 A74 Q80 R81 V89 L105 Y107T41-V77 HydrophobicContact CG2-CG2 4.31Å; Q45-V77 HydrophobicContact CG-CG1 3.96Å; I73-V77 HydrophobicContact CG2-CG2 4.24Å; I73-V77 WeakPolarHBondContact O-CG2 3.47Å; I73-V77 PolarHBondContact O-N 3.25Å; A74-V77 PolarHBondContact O-N 3.2Å; V77-Q80 PolarHBondContact O-N 3Å; V77-R81 WeakPolarHBondContact O-CG 3.3Å; V77-R81 PolarHBondContact O-N 2.99Å; V77-V89 HydrophobicContact CB-CG1 4.26Å; V77-V89 HydrophobicContact CG1-CG1 4.04Å; V77-V89 HydrophobicContact CG1-CG2 4.15Å; V77-L105 HydrophobicContact CG1-CD2 4.2Å; V77-Y107 HydrophobicContact CB-CE2 4.44Å; V77-Y107 HydrophobicContact CG2-CE2 4.37Å
78A91.3Very high88.9Confident3 Ų349.9 Ų49.93%0.02525%0.254CS..Hα-helixtrans-62.3-43.3173.700000111.9A74 R75 R81 K82 C83 L85 V89A74-A78 VanDerWaalsContact O-CB 3.26Å; A74-A78 WeakPolarHBondContact O-CB 3.19Å; A74-A78 PolarHBondContact O-N 3.4Å; R75-A78 PolarHBondContact O-N 3.19Å; A78-R81 CarbonylContact O-C 3.55Å; A78-R81 PolarHBondContact O-N 3.07Å; A78-K82 PolarHBondContact O-N 3.45Å; A78-C83 PolarHBondContact O-N 3.46Å; A78-L85 HydrophobicContact CB-CB 4.33Å; A78-L85 HydrophobicContact CB-CD1 3.92Å; A78-V89 HydrophobicContact CB-CB 4.32Å
79A89Confident89.7Confident71 Ų7148 Ų4859%0.58724%0.244SC*.Hα-helixtrans-63.4-43.6175.100000112R75 W76 R81 K82R75-A79 WeakPolarHBondContact O-CB 3.4Å; R75-A79 PolarHBondContact O-N 2.82Å; W76-A79 PolarHBondContact O-N 2.9Å; A79-R81 VanDerWaalsContact C-N 3.31Å; A79-R81 PolarHBondContact O-N 2.71Å; A79-K82 PolarHBondContact O-N 3.36Å; A79-K82 VanDerWaalsContact O-N 3.09Å
80Q86.4Confident90.4Very high39 Ų3947.9 Ų47.918%0.18224%0.243CC..Hα-helixtrans-56.9-44.1174.6-79.1-170-26.600111.9F5 W76 V77 K82F5-Q80 WeakPolarHBondContact CD2-O 3.25Å; F5-Q80 HydrophobicContact CE2-CB 3.98Å; F5-Q80 WeakPolarHBondContact CE2-O 3.27Å; F5-Q80 HydrophobicContact CZ-CB 4.47Å; W76-Q80 WeakPolarHBondContact O-CG 3.2Å; W76-Q80 PolarHBondContact O-N 2.63Å; V77-Q80 PolarHBondContact O-N 3Å; Q80-K82 PolarHBondContact O-N 3.35Å
81R88.2Confident90.7Very high36 Ų3648 Ų4814%0.13624%0.243CC..THydrogen-bonded Turntrans-82.22.3179.2-63.3-167.275.695.3-3.7114.2Q45 D49 V77 A78 A79 C83Q45-R81 VanDerWaalsContact OE1-CD 3.3Å; D49-R81 IonicContact OD1-CZ 3.66Å; D49-R81 VanDerWaalsContact OD1-CZ 3.31Å; D49-R81 IonicContact OD1-NH1 3.95Å; D49-R81 PolarHBondContact OD1-NH1 3.23Å; D49-R81 VanDerWaalsContact OD1-NH1 3.1Å; D49-R81 IonicContact OD1-NH2 3.39Å; D49-R81 PolarHBondContact OD1-NH2 3.05Å; D49-R81 IonicContact OD2-NH1 3.31Å; D49-R81 PolarHBondContact OD2-NH1 2.89Å; D49-R81 VanDerWaalsContact OD2-NH1 3.11Å; D49-R81 IonicContact OD2-NH2 3.47Å; V77-R81 WeakPolarHBondContact O-CG 3.3Å; V77-R81 PolarHBondContact O-N 2.99Å; A78-R81 CarbonylContact O-C 3.55Å; A78-R81 PolarHBondContact O-N 3.07Å; A79-R81 VanDerWaalsContact C-N 3.31Å; A79-R81 PolarHBondContact O-N 2.71Å; R81-C83 PolarHBondContact O-N 2.86Å
82K90.4Very high91.1Very high179 Ų17949 Ų4978%0.77825%0.247SC*.THydrogen-bonded Turntrans50.937.8-175.3-58177.61801750112.3A78 A79 Q80A78-K82 PolarHBondContact O-N 3.45Å; A79-K82 PolarHBondContact O-N 3.36Å; A79-K82 VanDerWaalsContact O-N 3.09Å; Q80-K82 PolarHBondContact O-N 3.35Å
83C90Very high91.4Very high23 Ų2346.9 Ų46.916%0.15523%0.232CC..  trans-111.6155.4178.372.40000111.5A78 R81 L85A78-C83 PolarHBondContact O-N 3.46Å; R81-C83 PolarHBondContact O-N 2.86Å; C83-L85 PolarHBondContact O-N 3.29Å
84I92.8Very high91.2Very high139 Ų13947.6 Ų47.671%0.71324%0.242SC*.  trans-71.9127.8175.9-60.3169.7000107.8G86 S87I84-G86 PolarHBondContact O-N 3.38Å; I84-S87 VanDerWaalsContact O-CB 3.28Å; I84-S87 WeakPolarHBondContact O-CB 3.47Å; I84-S87 PolarHBondContact O-N 3.36Å; I84-S87 PolarHBondContact O-OG 3.11Å
85L92.3Very high90.5Very high49 Ų4950.4 Ų50.426%0.25726%0.256SS..THydrogen-bonded Turntrans-56.6131.4176-174.366.5000110.8A74 R75 A78 C83 Y91A74-L85 HydrophobicContact CB-CD1 4.11Å; R75-L85 HydrophobicContact CG-CD1 4.48Å; R75-L85 HydrophobicContact CG-CD2 3.55Å; A78-L85 HydrophobicContact CB-CB 4.33Å; A78-L85 HydrophobicContact CB-CD1 3.92Å; C83-L85 PolarHBondContact O-N 3.29Å; L85-Y91 HydrophobicContact CD1-CD1 4.26Å; L85-Y91 HydrophobicContact CD2-CD1 4.26Å; L85-Y91 HydrophobicContact CD2-CE1 3.68Å; L85-Y91 HydrophobicContact CG-CE1 4.34Å
86G91.3Very high90.2Very high9 Ų948.3 Ų48.39%0.09325%0.252CS..THydrogen-bonded Turntrans90.7-6.6-173.800000114.7I84 V89 M98 T100 T103I84-G86 PolarHBondContact O-N 3.38Å; G86-V89 PolarHBondContact N-O 3.36Å; G86-M98 WeakPolarHBondContact CA-O 3.47Å; G86-T100 WeakPolarHBondContact O-CG2 3.2Å; G86-T100 PolarHBondContact O-N 3.16Å; G86-T100 PolarHBondContact O-OG1 3.39Å; G86-T103 PolarHBondContact O-OG1 3.14Å
87S92.6Very high90.4Very high42 Ų4246.8 Ų46.829%0.29425%0.249SC..SBendtrans-80.2-109.2167.3690000110.1I84 T103I84-S87 VanDerWaalsContact O-CB 3.28Å; I84-S87 WeakPolarHBondContact O-CB 3.47Å; I84-S87 PolarHBondContact O-N 3.36Å; I84-S87 PolarHBondContact O-OG 3.11Å; S87-T103 WeakPolarHBondContact O-CA 3.47Å; S87-T103 WeakPolarHBondContact O-CB 3.35Å; S87-T103 PolarHBondContact O-N 2.82Å; S87-T103 PolarHBondContact O-OG1 3.4Å
88L93.6Very high90.5Very high49 Ų4950.8 Ų50.826%0.25727%0.269SS..SBendtrans-63.6-40.9178.2-178.666.5000112.7L48 R104 L105L48-L88 HydrophobicContact CD2-CD1 4.24Å; L48-L88 HydrophobicContact CD2-CD2 4.18Å; L48-L88 HydrophobicContact CD2-CG 4.2Å; L88-R104 HydrophobicContact CD1-CB 4.09Å; L88-R104 HydrophobicContact CD1-CG 4.18Å; L88-R104 PolarHBondContact O-N 2.93Å; L88-L105 PolarHBondContact O-N 2.96Å; L88-L105 VanDerWaalsContact O-N 3.12Å
89V96.4Very high90.5Very high0 Ų051.5 Ų51.50%028%0.275CS..EExtended strand (participates in β ladder)trans-116131.4-177.9-177.10000108.9V77 A78 G86 L105 Y107V77-V89 HydrophobicContact CB-CG1 4.26Å; V77-V89 HydrophobicContact CG1-CG1 4.04Å; V77-V89 HydrophobicContact CG1-CG2 4.15Å; A78-V89 HydrophobicContact CB-CB 4.32Å; G86-V89 PolarHBondContact N-O 3.36Å; V89-L105 WeakPolarHBondContact CA-O 3.26Å; V89-L105 HydrophobicContact CG1-CD2 4.46Å; V89-L105 HydrophobicContact CG1-CG 4.49Å; V89-L105 HydrophobicContact CG2-CB 4.43Å; V89-L105 HydrophobicContact CG2-CD2 4.28Å; V89-Y107 HydrophobicContact CG1-CD2 4.46Å; V89-Y107 HydrophobicContact CG1-CE2 4.21Å
90G96.8Very high90.6Very high0 Ų051.7 Ų51.70%027%0.269CS..EExtended strand (participates in β ladder)trans-146.8-178.1-178.800000113.2M98 L105 I106 Y107G90-M98 CarbonylContact C-O 3.55Å; G90-M98 WeakPolarHBondContact CA-O 3.47Å; G90-L105 PolarHBondContact N-O 2.99Å; G90-I106 WeakPolarHBondContact O-CA 3.37Å; G90-Y107 PolarHBondContact O-N 3.14Å
91Y96.1Very high90.7Very high3 Ų358.5 Ų58.51%0.01230%0.301CS..EExtended strand (participates in β ladder)trans-139159.3169.965.8-94.1000113T71 A74 R75 L85 V93 E96 M98 Y107T71-Y91 HydrophobicContact CG2-CD2 3.71Å; T71-Y91 HydrophobicContact CG2-CE1 4.35Å; T71-Y91 HydrophobicContact CG2-CE2 3.54Å; T71-Y91 HydrophobicContact CG2-CG 4.21Å; A74-Y91 HydrophobicContact CB-CD1 3.82Å; A74-Y91 HydrophobicContact CB-CG 4.29Å; R75-Y91 PolarHBondContact NH2-OH 3.21Å; L85-Y91 HydrophobicContact CD1-CD1 4.26Å; L85-Y91 HydrophobicContact CD2-CD1 4.26Å; L85-Y91 HydrophobicContact CD2-CE1 3.68Å; L85-Y91 HydrophobicContact CG-CE1 4.34Å; Y91-V93 HydrophobicContact CD2-CG1 4.35Å; Y91-V93 HydrophobicContact CD2-CG2 4.41Å; Y91-V93 HydrophobicContact CE2-CG2 4.42Å; Y91-E96 HydrophobicContact CE2-CG 3.85Å; Y91-E96 VanDerWaalsContact OH-CD 3.27Å; Y91-E96 PolarHBondContact OH-OE1 3.33Å; Y91-M98 HydrophobicContact CD1-CB 4Å; Y91-M98 HydrophobicContact CD2-CB 4.46Å; Y91-M98 HydrophobicContact CE1-CB 3.66Å; Y91-M98 HydrophobicContact CE1-CG 3.73Å; Y91-M98 HydrophobicContact CE2-CB 4.12Å; Y91-M98 HydrophobicContact CE2-CG 3.95Å; Y91-M98 HydrophobicContact CG-CB 4.4Å; Y91-M98 PolarHBondContact N-O 3.07Å; Y91-M98 CarbonylContact O-C 3.55Å; Y91-M98 PolarHBondContact O-N 2.87Å; Y91-M98 WeakPolarHBondContact OH-CG 3.19Å; Y91-Y107 CarbonylContact C-O 3.55Å; Y91-Y107 WeakPolarHBondContact CA-O 3.48Å; Y91-Y107 WeakPolarHBondContact CB-O 3.24Å
92Q94.4Very high90.8Very high34 Ų3463.7 Ų63.716%0.15933%0.326CS..EExtended strand (participates in β ladder)trans-138.3117.2169.8-171.2178.7-14.800110.4K97 I106 Y107 M108 T109 V112 K116Q92-K97 HydrophobicContact CB-CG 4.43Å; Q92-K97 HydrophobicContact CG-CB 4.21Å; Q92-K97 HydrophobicContact CG-CG 4.1Å; Q92-I106 HydrophobicContact CB-CD1 3.92Å; Q92-I106 HydrophobicContact CB-CG1 4.48Å; Q92-Y107 PolarHBondContact N-O 2.96Å; Q92-M108 HydrophobicContact CB-CB 4.22Å; Q92-M108 WeakPolarHBondContact O-CA 3.38Å; Q92-M108 WeakPolarHBondContact O-CB 3.44Å; Q92-T109 PolarHBondContact O-N 3.12Å; Q92-V112 HydrophobicContact CB-CG1 4.48Å; Q92-V112 HydrophobicContact CG-CG1 3.9Å; Q92-K116 VanDerWaalsContact OE1-CE 3.28Å
93V90.1Very high91Very high7 Ų755.7 Ų55.74%0.04229%0.292CS..EExtended strand (participates in β ladder)trans-125.4168.6173.7-58.40000108.9K67 A70 T71 Y91 L95 E96 T109K67-V93 HydrophobicContact CB-CB 4.31Å; K67-V93 HydrophobicContact CB-CG1 4.28Å; K67-V93 HydrophobicContact CD-CB 4.3Å; K67-V93 HydrophobicContact CD-CG2 4.32Å; K67-V93 HydrophobicContact CG-CB 4.05Å; K67-V93 HydrophobicContact CG-CG1 4.44Å; K67-V93 HydrophobicContact CG-CG2 4.49Å; A70-V93 HydrophobicContact CB-CG1 3.75Å; T71-V93 HydrophobicContact CG2-CG1 4.16Å; T71-V93 HydrophobicContact CG2-CG2 4.26Å; Y91-V93 HydrophobicContact CD2-CG1 4.35Å; Y91-V93 HydrophobicContact CD2-CG2 4.41Å; Y91-V93 HydrophobicContact CE2-CG2 4.42Å; V93-L95 PolarHBondContact O-N 3.16Å; V93-E96 HydrophobicContact CG2-CB 3.83Å; V93-E96 PolarHBondContact N-O 3.48Å; V93-E96 CarbonylContact O-C 3.56Å; V93-E96 PolarHBondContact O-N 3Å; V93-E96 VanDerWaalsContact O-N 3.1Å; V93-T109 HydrophobicContact CB-CG2 4.38Å; V93-T109 HydrophobicContact CG1-CG2 4.02Å
94A82.9Confident91.2Very high42 Ų4260.1 Ų60.135%0.34731%0.306SS..THydrogen-bonded Turntrans-58.6130.1177.300000110.7K67 E96K67-A94 PolarHBondContact NZ-O 3.26Å; A94-E96 VanDerWaalsContact C-N 3.27Å; A94-E96 PolarHBondContact O-N 2.87Å
95L78.3Confident91.4Very high58 Ų5853.5 Ų53.530%0.30427%0.272SS..THydrogen-bonded Turntrans73.4-6.5-175.2-53.4173.3000117V93 L587 D590V93-L95 PolarHBondContact O-N 3.16Å; L95-L587 HydrophobicContact CD1-CB 3.81Å; L95-L587 HydrophobicContact CD1-CD1 4.39Å; L95-L587 HydrophobicContact CD2-CB 4.03Å; L95-L587 HydrophobicContact CD2-CD1 3.73Å; L95-L587 HydrophobicContact CD2-CG 4.45Å; L95-D590 HydrophobicContact CD2-CB 3.77Å
96E83.7Confident91.6Very high77 Ų7751.8 Ų51.836%0.3626%0.262SS..EExtended strand (participates in β ladder)trans-141.3120.7-173.9-168.9-173.817900111.5Y91 V93 A94Y91-E96 HydrophobicContact CE2-CG 3.85Å; Y91-E96 VanDerWaalsContact OH-CD 3.27Å; Y91-E96 PolarHBondContact OH-OE1 3.33Å; V93-E96 HydrophobicContact CG2-CB 3.83Å; V93-E96 PolarHBondContact N-O 3.48Å; V93-E96 CarbonylContact O-C 3.56Å; V93-E96 PolarHBondContact O-N 3Å; V93-E96 VanDerWaalsContact O-N 3.1Å; A94-E96 VanDerWaalsContact C-N 3.27Å; A94-E96 PolarHBondContact O-N 2.87Å
97K90.7Very high91.9Very high122 Ų12251.3 Ų51.353%0.5326%0.258SS..EExtended strand (participates in β ladder)trans-125.2112.7176.8-178-174.5175.7-173.20109.9Q92 A99Q92-K97 HydrophobicContact CB-CG 4.43Å; Q92-K97 HydrophobicContact CG-CB 4.21Å; Q92-K97 HydrophobicContact CG-CG 4.1Å; K97-A99 HydrophobicContact CG-CB 4.29Å
98M92.5Very high92.1Very high85 Ų8549.3 Ų49.342%0.41924%0.244SC..EExtended strand (participates in β ladder)trans-110.672.4171.2-70.2-69.6103.800109G86 G90 Y91G86-M98 WeakPolarHBondContact CA-O 3.47Å; G90-M98 CarbonylContact C-O 3.55Å; G90-M98 WeakPolarHBondContact CA-O 3.47Å; Y91-M98 HydrophobicContact CD1-CB 4Å; Y91-M98 HydrophobicContact CD2-CB 4.46Å; Y91-M98 HydrophobicContact CE1-CB 3.66Å; Y91-M98 HydrophobicContact CE1-CG 3.73Å; Y91-M98 HydrophobicContact CE2-CB 4.12Å; Y91-M98 HydrophobicContact CE2-CG 3.95Å; Y91-M98 HydrophobicContact CG-CB 4.4Å; Y91-M98 PolarHBondContact N-O 3.07Å; Y91-M98 CarbonylContact O-C 3.55Å; Y91-M98 PolarHBondContact O-N 2.87Å; Y91-M98 WeakPolarHBondContact OH-CG 3.19Å
99A92.1Very high92.1Very high18 Ų1847.7 Ų47.715%0.14924%0.236CC..  trans-155.3148.1179.600000111K97 T103 I106K97-A99 HydrophobicContact CG-CB 4.29Å; A99-T103 HydrophobicContact CB-CG2 4.19Å; A99-I106 HydrophobicContact CB-CD1 3.66Å
100T92.1Very high92Very high75 Ų7547.9 Ų47.946%0.4624%0.237SC..  trans-121.1177.3177.859.90000110.4G86 H102 T103G86-T100 WeakPolarHBondContact O-CG2 3.2Å; G86-T100 PolarHBondContact O-N 3.16Å; G86-T100 PolarHBondContact O-OG1 3.39Å; T100-H102 PolarHBondContact O-N 3.43Å; T100-H102 PolarHBondContact OG1-N 3.48Å; T100-T103 PolarHBondContact N-OG1 3.4Å; T100-T103 WeakPolarHBondContact O-CB 3.47Å; T100-T103 PolarHBondContact O-N 2.86Å; T100-T103 VanDerWaalsContact O-N 3.07Å; T100-T103 PolarHBondContact O-OG1 3.25Å
101E87.7Confident91.7Very high182 Ų18248.4 Ų48.485%0.8524%0.243SC*.THydrogen-bonded Turntrans-63.3-18.5173.7-62-176.1172.700113
102H89.5Confident91.6Very high144 Ų14449 Ų4967%0.66725%0.247SC*.THydrogen-bonded Turntrans-84.5-8.9175.7-57-52.8000113.5T100 R104T100-H102 PolarHBondContact O-N 3.43Å; T100-H102 PolarHBondContact OG1-N 3.48Å; H102-R104 PolarHBondContact O-N 3.03Å
103T94.2Very high91.6Very high11 Ų1147.4 Ų47.47%0.06724%0.239CC..  trans-70.1122.1178.5-55.30000110.5G86 S87 A99 T100 L105 I106G86-T103 PolarHBondContact O-OG1 3.14Å; S87-T103 WeakPolarHBondContact O-CA 3.47Å; S87-T103 WeakPolarHBondContact O-CB 3.35Å; S87-T103 PolarHBondContact O-N 2.82Å; S87-T103 PolarHBondContact O-OG1 3.4Å; A99-T103 HydrophobicContact CB-CG2 4.19Å; T100-T103 PolarHBondContact N-OG1 3.4Å; T100-T103 WeakPolarHBondContact O-CB 3.47Å; T100-T103 PolarHBondContact O-N 2.86Å; T100-T103 VanDerWaalsContact O-N 3.07Å; T100-T103 PolarHBondContact O-OG1 3.25Å; T103-L105 WeakPolarHBondContact CG2-O 3.41Å; T103-I106 HydrophobicContact CG2-CB 4.18Å
104R94.9Very high91.8Very high117 Ų11747.1 Ų47.144%0.44224%0.237SC..  trans-110.6-18.3179.3-58.3-54.9-173.3-178.4-1.3113.1L48 C58 I60 L88 H102L48-R104 HydrophobicContact CD1-CB 3.86Å; C58-R104 WeakPolarHBondContact O-CD 3.49Å; I60-R104 PolarHBondContact N-O 3.35Å; L88-R104 HydrophobicContact CD1-CB 4.09Å; L88-R104 HydrophobicContact CD1-CG 4.18Å; L88-R104 PolarHBondContact O-N 2.93Å; H102-R104 PolarHBondContact O-N 3.03Å
105L97Very high92.2Very high0 Ų047.5 Ų47.50%023%0.232CC..EExtended strand (participates in β ladder)trans-124.8112.2172.2173.359000109.1P44 Q45 L48 I60 V62 V77 L88 V89 G90 T103 Y107P44-L105 HydrophobicContact CB-CD1 3.68Å; P44-L105 HydrophobicContact CB-CD2 4.17Å; Q45-L105 HydrophobicContact CG-CD2 4.41Å; L48-L105 HydrophobicContact CD2-CB 4.23Å; I60-L105 HydrophobicContact CB-CD1 3.91Å; I60-L105 HydrophobicContact CG2-CD1 3.71Å; I60-L105 WeakPolarHBondContact O-CA 3.5Å; V62-L105 HydrophobicContact CG2-CD1 3.82Å; V77-L105 HydrophobicContact CG1-CD2 4.2Å; L88-L105 PolarHBondContact O-N 2.96Å; L88-L105 VanDerWaalsContact O-N 3.12Å; V89-L105 WeakPolarHBondContact CA-O 3.26Å; V89-L105 HydrophobicContact CG1-CD2 4.46Å; V89-L105 HydrophobicContact CG1-CG 4.49Å; V89-L105 HydrophobicContact CG2-CB 4.43Å; V89-L105 HydrophobicContact CG2-CD2 4.28Å; G90-L105 PolarHBondContact N-O 2.99Å; T103-L105 WeakPolarHBondContact CG2-O 3.41Å; L105-Y107 HydrophobicContact CD1-CE2 4.22Å; L105-Y107 HydrophobicContact CD2-CE2 4Å; L105-Y107 HydrophobicContact CG-CE2 3.91Å
106I97.3Very high92.8Very high12 Ų1247 Ų476%0.06223%0.227CC..EExtended strand (participates in β ladder)trans-121.1126.4-178.8-168.6166.3000111.5I60 V61 V62 G90 Q92 A99 T103 M108 Y126I60-I106 PolarHBondContact O-N 3.41Å; V61-I106 WeakPolarHBondContact CA-O 2.95Å; V61-I106 HydrophobicContact CB-CG2 4.09Å; V61-I106 HydrophobicContact CG2-CG2 4.18Å; V62-I106 PolarHBondContact N-O 3.48Å; G90-I106 WeakPolarHBondContact O-CA 3.37Å; Q92-I106 HydrophobicContact CB-CD1 3.92Å; Q92-I106 HydrophobicContact CB-CG1 4.48Å; A99-I106 HydrophobicContact CB-CD1 3.66Å; T103-I106 HydrophobicContact CG2-CB 4.18Å; I106-M108 HydrophobicContact CB-CE 4.43Å; I106-M108 HydrophobicContact CD1-CE 3.98Å; I106-M108 HydrophobicContact CG1-CE 4.04Å; I106-M108 HydrophobicContact CG2-CE 3.61Å; I106-Y126 HydrophobicContact CG2-CE1 4.2Å
107Y96.9Very high93.4Very high0 Ų043.4 Ų43.40%021%0.21CC..EExtended strand (participates in β ladder)trans-92.1130.1170.5-66.7-92.7000109.5T40 V62 I73 A74 V77 V89 G90 Y91 Q92 L105T40-Y107 PolarHBondContact O-OH 3.21Å; V62-Y107 HydrophobicContact CB-CD1 3.6Å; V62-Y107 HydrophobicContact CB-CE1 3.68Å; V62-Y107 HydrophobicContact CB-CG 4.38Å; V62-Y107 HydrophobicContact CG1-CD1 3.82Å; V62-Y107 HydrophobicContact CG1-CE1 3.72Å; V62-Y107 HydrophobicContact CG2-CD1 4.27Å; V62-Y107 HydrophobicContact CG2-CE1 3.91Å; V62-Y107 CarbonylContact O-C 3.57Å; V62-Y107 VanDerWaalsContact O-CA 3.3Å; V62-Y107 WeakPolarHBondContact O-CA 3.34Å; I73-Y107 HydrophobicContact CB-CD1 4.38Å; I73-Y107 HydrophobicContact CB-CE1 4.45Å; I73-Y107 HydrophobicContact CG2-CD1 3.73Å; I73-Y107 HydrophobicContact CG2-CE1 3.35Å; I73-Y107 HydrophobicContact CG2-CE2 4.2Å; I73-Y107 HydrophobicContact CG2-CG 4.3Å; A74-Y107 HydrophobicContact CB-CD2 3.8Å; A74-Y107 HydrophobicContact CB-CG 4.3Å; V77-Y107 HydrophobicContact CB-CE2 4.44Å; V77-Y107 HydrophobicContact CG2-CE2 4.37Å; V89-Y107 HydrophobicContact CG1-CD2 4.46Å; V89-Y107 HydrophobicContact CG1-CE2 4.21Å; G90-Y107 PolarHBondContact O-N 3.14Å; Y91-Y107 CarbonylContact C-O 3.55Å; Y91-Y107 WeakPolarHBondContact CA-O 3.48Å; Y91-Y107 WeakPolarHBondContact CB-O 3.24Å; Q92-Y107 PolarHBondContact N-O 2.96Å; L105-Y107 HydrophobicContact CD1-CE2 4.22Å; L105-Y107 HydrophobicContact CD2-CE2 4Å; L105-Y107 HydrophobicContact CG-CE2 3.91Å
108M96Very high93.4Very high0 Ų037.7 Ų37.70%019%0.186CC..EExtended strand (participates in β ladder)trans-142162.1179.164.2-177.766.700113.2V61 V62 T63 Q64 Q92 I106 V112 L113V61-M108 HydrophobicContact CB-CE 4.4Å; V61-M108 HydrophobicContact CG2-CE 3.45Å; V61-M108 VanDerWaalsContact CG2-CE 3.45Å; V61-M108 HydrophobicContact CG2-CG 3.59Å; V61-M108 HydrophobicContact CG2-SD 3.54Å; V61-M108 VanDerWaalsContact CG2-SD 3.54Å; V62-M108 PolarHBondContact O-N 3.48Å; T63-M108 CarbonylContact C-O 3.47Å; T63-M108 WeakPolarHBondContact CA-O 3.41Å; Q64-M108 PolarHBondContact N-O 3.46Å; Q92-M108 HydrophobicContact CB-CB 4.22Å; Q92-M108 WeakPolarHBondContact O-CA 3.38Å; Q92-M108 WeakPolarHBondContact O-CB 3.44Å; I106-M108 HydrophobicContact CB-CE 4.43Å; I106-M108 HydrophobicContact CD1-CE 3.98Å; I106-M108 HydrophobicContact CG1-CE 4.04Å; I106-M108 HydrophobicContact CG2-CE 3.61Å; M108-V112 HydrophobicContact CB-CG1 4.38Å; M108-V112 HydrophobicContact SD-CG1 4.12Å; M108-L113 HydrophobicContact CG-CB 4.13Å; M108-L113 HydrophobicContact SD-CB 3.62Å; M108-L113 HydrophobicContact SD-CD1 3.95Å; M108-L113 HydrophobicContact SD-CG 4.31Å
109T94.3Very high93.3Very high15 Ų1537.7 Ų37.79%0.09219%0.187CC..EExtended strand (participates in β ladder)trans-72.1147.5172.343.10000111.5Q64 K67 Q92 V93 G111 V112 L113Q64-T109 VanDerWaalsContact O-CA 3.27Å; Q64-T109 WeakPolarHBondContact O-CA 3.47Å; K67-T109 HydrophobicContact CB-CG2 4.5Å; K67-T109 HydrophobicContact CG-CG2 4.03Å; Q92-T109 PolarHBondContact O-N 3.12Å; V93-T109 HydrophobicContact CB-CG2 4.38Å; V93-T109 HydrophobicContact CG1-CG2 4.02Å; T109-G111 VanDerWaalsContact C-N 3.33Å; T109-G111 PolarHBondContact O-N 2.86Å; T109-V112 WeakPolarHBondContact O-CB 3.48Å; T109-V112 PolarHBondContact O-N 2.87Å; T109-V112 WeakPolarHBondContact OG1-CG2 3.35Å; T109-L113 PolarHBondContact O-N 2.96Å
110T94.1Very high93.4Very high4 Ų439.7 Ų39.73%0.02520%0.203CC..Hα-helixtrans-47.6-51.1178-52.60000112.6Q64 V112 L113 L114 E140 M141 L144Q64-T110 PolarHBondContact O-N 3.19Å; T110-V112 VanDerWaalsContact C-N 3.3Å; T110-V112 PolarHBondContact O-N 3.42Å; T110-L113 PolarHBondContact O-N 3.05Å; T110-L114 WeakPolarHBondContact O-CB 3.41Å; T110-L114 PolarHBondContact O-N 3.46Å; T110-E140 HydrophobicContact CG2-CB 4.17Å; T110-M141 HydrophobicContact CG2-CB 4.14Å; T110-L144 HydrophobicContact CG2-CB 4.25Å; T110-L144 HydrophobicContact CG2-CD2 3.79Å
111G91.4Very high93.5Very high11 Ų1140 Ų4011%0.11320%0.198CC..Hα-helixtrans-59.9-31.4178.400000115.3T109 Q115 E140T109-G111 VanDerWaalsContact C-N 3.33Å; T109-G111 PolarHBondContact O-N 2.86Å; G111-Q115 WeakPolarHBondContact O-CB 3.47Å; G111-Q115 PolarHBondContact O-N 3.05Å; G111-E140 VanDerWaalsContact CA-OE2 3.24Å; G111-E140 WeakPolarHBondContact CA-OE2 3.04Å; G111-E140 PolarHBondContact N-OE2 2.97Å
112V92.5Very high93.8Very high16 Ų1632.4 Ų32.410%0.09717%0.166CC..Hα-helixtrans-70.9-45.2177.7168.60000110.6Q92 M108 T109 T110 K116Q92-V112 HydrophobicContact CB-CG1 4.48Å; Q92-V112 HydrophobicContact CG-CG1 3.9Å; M108-V112 HydrophobicContact CB-CG1 4.38Å; M108-V112 HydrophobicContact SD-CG1 4.12Å; T109-V112 WeakPolarHBondContact O-CB 3.48Å; T109-V112 PolarHBondContact O-N 2.87Å; T109-V112 WeakPolarHBondContact OG1-CG2 3.35Å; T110-V112 VanDerWaalsContact C-N 3.3Å; T110-V112 PolarHBondContact O-N 3.42Å; V112-K116 PolarHBondContact O-N 3.33Å
113L95.6Very high94.1Very high0 Ų025.5 Ų25.50%013%0.134CC..Hα-helixtrans-63.5-47.2175.9-17858.3000110.2V61 T63 M108 T109 T110 Q115 K116 L117 Y126 I129 L144V61-L113 HydrophobicContact CG1-CD1 4.29Å; V61-L113 HydrophobicContact CG1-CD2 4.19Å; V61-L113 HydrophobicContact CG2-CD1 4.24Å; V61-L113 HydrophobicContact CG2-CD2 4.24Å; T63-L113 HydrophobicContact CG2-CB 3.96Å; T63-L113 HydrophobicContact CG2-CD2 3.33Å; T63-L113 HydrophobicContact CG2-CG 4.28Å; M108-L113 HydrophobicContact CG-CB 4.13Å; M108-L113 HydrophobicContact SD-CB 3.62Å; M108-L113 HydrophobicContact SD-CD1 3.95Å; M108-L113 HydrophobicContact SD-CG 4.31Å; T109-L113 PolarHBondContact O-N 2.96Å; T110-L113 PolarHBondContact O-N 3.05Å; L113-Q115 VanDerWaalsContact C-N 3.32Å; L113-Q115 PolarHBondContact O-N 3.19Å; L113-K116 WeakPolarHBondContact O-CB 3.47Å; L113-K116 PolarHBondContact O-N 3.23Å; L113-K116 VanDerWaalsContact O-N 3.12Å; L113-L117 HydrophobicContact CD1-CD1 4.05Å; L113-L117 HydrophobicContact CD1-CD2 4.19Å; L113-L117 HydrophobicContact CD1-CG 3.91Å; L113-L117 HydrophobicContact CD2-CD1 4.33Å; L113-L117 HydrophobicContact CG-CD1 3.86Å; L113-L117 HydrophobicContact CG-CG 4.11Å; L113-L117 WeakPolarHBondContact O-CG 3.33Å; L113-L117 PolarHBondContact O-N 3.22Å; L113-Y126 HydrophobicContact CD1-CD2 4.17Å; L113-Y126 HydrophobicContact CD1-CE2 3.6Å; L113-I129 HydrophobicContact CD2-CG2 3.88Å; L113-L144 HydrophobicContact CD2-CD1 4.3Å; L113-L144 HydrophobicContact CD2-CD2 4.24Å; L113-L144 HydrophobicContact CG-CD1 4.32Å
114L94.2Very high94.1Very high0 Ų029.7 Ų29.70%016%0.159CC..Hα-helixtrans-55.1-47.4179.3174.962.6000111.8T110 K116 L117 V118 E140 F143 L144 V147 K419T110-L114 WeakPolarHBondContact O-CB 3.41Å; T110-L114 PolarHBondContact O-N 3.46Å; L114-K116 VanDerWaalsContact C-N 3.34Å; L114-K116 PolarHBondContact O-N 3Å; L114-L117 PolarHBondContact O-N 2.93Å; L114-V118 HydrophobicContact CD1-CG2 3.92Å; L114-V118 HydrophobicContact CG-CG2 4.44Å; L114-V118 WeakPolarHBondContact O-CB 3.38Å; L114-V118 VanDerWaalsContact O-CG2 3.3Å; L114-V118 WeakPolarHBondContact O-CG2 3.42Å; L114-V118 PolarHBondContact O-N 3.43Å; L114-E140 HydrophobicContact CD2-CB 4.29Å; L114-F143 HydrophobicContact CD1-CD1 3.57Å; L114-F143 HydrophobicContact CD1-CE1 3.93Å; L114-F143 HydrophobicContact CD2-CD1 3.78Å; L114-F143 HydrophobicContact CG-CD1 4.2Å; L114-L144 HydrophobicContact CB-CD1 4.41Å; L114-L144 HydrophobicContact CD1-CB 4.43Å; L114-L144 HydrophobicContact CD1-CD1 4.46Å; L114-V147 HydrophobicContact CD1-CG2 4.04Å; L114-K419 HydrophobicContact CD2-CD 4.08Å; L114-K419 HydrophobicContact CG-CD 4.42Å
115Q90.7Very high94Very high50 Ų5028.6 Ų28.623%0.23416%0.159CC..Hα-helixtrans-59.7-43.7177.7-173.9175.822.500111.9G111 L113 L119 H481G111-Q115 WeakPolarHBondContact O-CB 3.47Å; G111-Q115 PolarHBondContact O-N 3.05Å; L113-Q115 VanDerWaalsContact C-N 3.32Å; L113-Q115 PolarHBondContact O-N 3.19Å; Q115-L119 HydrophobicContact CG-CD1 4.22Å; Q115-L119 WeakPolarHBondContact O-CG 3.3Å; Q115-L119 PolarHBondContact O-N 3.22Å; Q115-H481 PolarHBondContact NE2-O 2.91Å
116K92.4Very high93.9Very high48 Ų4828.9 Ų28.921%0.20916%0.16CC..Hα-helixtrans-61.2-47.2176.6-73.8-175.9173.2-166.50112.1Q92 V112 L113 L114 L119 A120 E125 Y126Q92-K116 VanDerWaalsContact OE1-CE 3.28Å; V112-K116 PolarHBondContact O-N 3.33Å; L113-K116 WeakPolarHBondContact O-CB 3.47Å; L113-K116 PolarHBondContact O-N 3.23Å; L113-K116 VanDerWaalsContact O-N 3.12Å; L114-K116 VanDerWaalsContact C-N 3.34Å; L114-K116 PolarHBondContact O-N 3Å; K116-L119 PolarHBondContact O-N 3.12Å; K116-A120 VanDerWaalsContact O-CB 3.26Å; K116-A120 WeakPolarHBondContact O-CB 3.45Å; K116-A120 PolarHBondContact O-N 3.17Å; K116-E125 IonicContact NZ-OE1 2.92Å; K116-E125 PolarHBondContact NZ-OE1 3.22Å; K116-Y126 PolarHBondContact NZ-OH 3.12Å
117L94.8Very high93.8Very high1 Ų129.8 Ų29.81%0.00517%0.168CC..Hα-helixtrans-68.9-37.5-176.4-63.7-177.5000112.4L113 L114 L119 K121 S122 L123 L144 V147 L148L113-L117 HydrophobicContact CD1-CD1 4.05Å; L113-L117 HydrophobicContact CD1-CD2 4.19Å; L113-L117 HydrophobicContact CD1-CG 3.91Å; L113-L117 HydrophobicContact CD2-CD1 4.33Å; L113-L117 HydrophobicContact CG-CD1 3.86Å; L113-L117 HydrophobicContact CG-CG 4.11Å; L113-L117 WeakPolarHBondContact O-CG 3.33Å; L113-L117 PolarHBondContact O-N 3.22Å; L114-L117 PolarHBondContact O-N 2.93Å; L117-L119 VanDerWaalsContact C-N 3.33Å; L117-K121 WeakPolarHBondContact O-CA 3.41Å; L117-K121 PolarHBondContact O-N 3.49Å; L117-S122 WeakPolarHBondContact CD2-O 3.46Å; L117-L123 HydrophobicContact CD1-CD2 3.73Å; L117-L123 HydrophobicContact CD2-CD2 3.82Å; L117-L123 HydrophobicContact CG-CD2 4.28Å; L117-L144 HydrophobicContact CD1-CD1 3.77Å; L117-V147 HydrophobicContact CB-CG1 4.24Å; L117-L148 HydrophobicContact CD1-CD2 3.76Å
118V92.1Very high93.9Very high3 Ų329.8 Ų29.82%0.01817%0.168CC..Hα-helixtrans-63-41175.2168.60000111.1L114 K121 F143 K419 L422 L423L114-V118 HydrophobicContact CD1-CG2 3.92Å; L114-V118 HydrophobicContact CG-CG2 4.44Å; L114-V118 WeakPolarHBondContact O-CB 3.38Å; L114-V118 VanDerWaalsContact O-CG2 3.3Å; L114-V118 WeakPolarHBondContact O-CG2 3.42Å; L114-V118 PolarHBondContact O-N 3.43Å; V118-K121 WeakPolarHBondContact O-CG 3.47Å; V118-F143 HydrophobicContact CG2-CE1 4.34Å; V118-K419 HydrophobicContact CG1-CB 4.41Å; V118-K419 WeakPolarHBondContact CG1-O 3.38Å; V118-K419 HydrophobicContact CG2-CB 4.43Å; V118-L422 HydrophobicContact CG1-CB 3.75Å; V118-L422 HydrophobicContact CG1-CD1 4.39Å; V118-L423 HydrophobicContact CG1-CB 4.46Å
119L89.9Confident93.9Very high85 Ų8529.8 Ų29.845%0.44517%0.168SC..Hα-helixtrans-72.6-43.9177.6-68.2173.3000112.6Q115 K116 L117 K121 L422 H481Q115-L119 HydrophobicContact CG-CD1 4.22Å; Q115-L119 WeakPolarHBondContact O-CG 3.3Å; Q115-L119 PolarHBondContact O-N 3.22Å; K116-L119 PolarHBondContact O-N 3.12Å; L117-L119 VanDerWaalsContact C-N 3.33Å; L119-K121 VanDerWaalsContact C-N 3.34Å; L119-L422 HydrophobicContact CD2-CD1 4.48Å; L119-H481 WeakPolarHBondContact CD2-NE2 3.4Å
120A92.8Very high94.1Very high59 Ų5929.1 Ų29.149%0.48816%0.163SC..Hα-helixtrans-74.4-24.1-178.400000113.3K116 S122K116-A120 VanDerWaalsContact O-CB 3.26Å; K116-A120 WeakPolarHBondContact O-CB 3.45Å; K116-A120 PolarHBondContact O-N 3.17Å; A120-S122 PolarHBondContact O-N 3.36Å; A120-S122 VanDerWaalsContact O-N 3.08Å
121K94.4Very high94.2Very high81 Ų8128.9 Ų28.935%0.35216%0.162SC..  trans50.830.2-173.9-54.5-172.6-178.5-160.60113.3L117 V118 L119 L151 N155 L422 L423 D424L117-K121 WeakPolarHBondContact O-CA 3.41Å; L117-K121 PolarHBondContact O-N 3.49Å; V118-K121 WeakPolarHBondContact O-CG 3.47Å; L119-K121 VanDerWaalsContact C-N 3.34Å; K121-L151 WeakPolarHBondContact O-CD2 3.46Å; K121-N155 PolarHBondContact O-ND2 3.2Å; K121-L422 WeakPolarHBondContact CE-O 3.08Å; K121-L422 PolarHBondContact NZ-O 3.45Å; K121-L423 WeakPolarHBondContact CE-O 3.45Å; K121-L423 PolarHBondContact NZ-O 3.17Å; K121-L423 VanDerWaalsContact NZ-O 3.11Å; K121-D424 VanDerWaalsContact NZ-CB 3.28Å
122S94.7Very high94.3Very high23 Ų2328.5 Ų28.516%0.16116%0.157CC..  trans-155.8150.3-177.2-178.40000110.2L117 A120 T124L117-S122 WeakPolarHBondContact CD2-O 3.46Å; A120-S122 PolarHBondContact O-N 3.36Å; A120-S122 VanDerWaalsContact O-N 3.08Å; S122-T124 WeakPolarHBondContact OG-CB 3.31Å; S122-T124 WeakPolarHBondContact OG-CG2 3.27Å; S122-T124 PolarHBondContact OG-N 3.16Å; S122-T124 PolarHBondContact OG-OG1 3.23Å
123L95.6Very high94.1Very high0 Ų028.9 Ų28.90%016%0.158CC..SBendtrans-94.9-5.3173.1-48.4-178.9000112.7L117 E125 Y126 I129 L148 L151 L152 S156 V159L117-L123 HydrophobicContact CD1-CD2 3.73Å; L117-L123 HydrophobicContact CD2-CD2 3.82Å; L117-L123 HydrophobicContact CG-CD2 4.28Å; L123-E125 PolarHBondContact O-N 3.07Å; L123-Y126 PolarHBondContact O-N 3.37Å; L123-Y126 VanDerWaalsContact O-O 3.14Å; L123-I129 HydrophobicContact CB-CD1 4.07Å; L123-I129 HydrophobicContact CD1-CD1 4.44Å; L123-I129 HydrophobicContact CD2-CD1 4.16Å; L123-I129 HydrophobicContact CG-CD1 4.45Å; L123-L148 HydrophobicContact CD1-CD2 4.13Å; L123-L148 HydrophobicContact CD2-CD2 3.69Å; L123-L151 HydrophobicContact CD1-CB 4.03Å; L123-L151 HydrophobicContact CD2-CB 3.88Å; L123-L151 HydrophobicContact CD2-CD1 3.6Å; L123-L151 HydrophobicContact CD2-CG 4.39Å; L123-L151 HydrophobicContact CG-CB 3.69Å; L123-L151 HydrophobicContact CG-CD1 4.21Å; L123-L152 HydrophobicContact CD1-CB 4.37Å; L123-S156 PolarHBondContact N-OG 3.25Å; L123-V159 HydrophobicContact CB-CB 4.25Å; L123-V159 HydrophobicContact CB-CG1 4.18Å; L123-V159 HydrophobicContact CB-CG2 3.88Å
124T93.9Very high93.8Very high99 Ų9928.9 Ų28.961%0.60716%0.158SC*.THydrogen-bonded Turntrans-67.2-9.7-166.256.60000115.6S122 Y126S122-T124 WeakPolarHBondContact OG-CB 3.31Å; S122-T124 WeakPolarHBondContact OG-CG2 3.27Å; S122-T124 PolarHBondContact OG-N 3.16Å; S122-T124 PolarHBondContact OG-OG1 3.23Å; T124-Y126 PolarHBondContact O-N 3.03Å
125E93.2Very high93.3Very high93 Ų9330 Ų3044%0.43516%0.163SC..THydrogen-bonded Turntrans-60.4-31.1169-174.1-176153.300111N59 K116 L123N59-E125 PolarHBondContact ND2-O 2.98Å; K116-E125 IonicContact NZ-OE1 2.92Å; K116-E125 PolarHBondContact NZ-OE1 3.22Å; L123-E125 PolarHBondContact O-N 3.07Å
126Y95.6Very high92.8Very high6 Ų629.5 Ų29.52%0.02416%0.161CC..  trans-117.4139.9-176.1-54.2-71.8000111V61 I106 L113 K116 L123 T124 V159V61-Y126 HydrophobicContact CB-CD1 3.65Å; V61-Y126 HydrophobicContact CB-CD2 4.43Å; V61-Y126 HydrophobicContact CB-CE1 3.74Å; V61-Y126 HydrophobicContact CB-CG 4.03Å; V61-Y126 HydrophobicContact CG1-CD1 3.68Å; V61-Y126 HydrophobicContact CG1-CD2 3.76Å; V61-Y126 HydrophobicContact CG1-CE1 4.11Å; V61-Y126 HydrophobicContact CG1-CE2 4.19Å; V61-Y126 HydrophobicContact CG1-CG 3.49Å; V61-Y126 VanDerWaalsContact CG1-CG 3.49Å; V61-Y126 HydrophobicContact CG2-CE1 4.45Å; I106-Y126 HydrophobicContact CG2-CE1 4.2Å; L113-Y126 HydrophobicContact CD1-CD2 4.17Å; L113-Y126 HydrophobicContact CD1-CE2 3.6Å; K116-Y126 PolarHBondContact NZ-OH 3.12Å; L123-Y126 PolarHBondContact O-N 3.37Å; L123-Y126 VanDerWaalsContact O-O 3.14Å; T124-Y126 PolarHBondContact O-N 3.03Å; Y126-V159 WeakPolarHBondContact O-CG2 3.38Å
127S95.4Very high92.5Very high31 Ų3128.6 Ų28.622%0.21716%0.156CC..SBendtrans-83.1-34.5170.663.10000111.7N59 K160N59-S127 PolarHBondContact N-OG 3.02Å; N59-S127 PolarHBondContact O-N 3.24Å; N59-S127 PolarHBondContact O-OG 3.22Å; S127-K160 PolarHBondContact O-N 3.32Å
128H97.4Very high92.2Very high1 Ų129.6 Ų29.61%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-131.4128.8178.7-58.972.6000110.6Y51 N59 I60 V61 F130 K160 I162Y51-H128 AromaticContact CE2-CE1 3.6Å; Y51-H128 AromaticContact CE2-NE2 3.81Å; Y51-H128 AromaticContact CZ-CE1 3.61Å; N59-H128 PolarHBondContact O-N 2.97Å; I60-H128 WeakPolarHBondContact CA-O 3.45Å; I60-H128 HydrophobicContact CG1-CB 4.24Å; I60-H128 HydrophobicContact CG2-CB 4.31Å; V61-H128 PolarHBondContact N-O 2.64Å; H128-F130 HydrophobicContact CB-CD2 4.44Å; H128-F130 HydrophobicContact CB-CE2 4.02Å; H128-K160 WeakPolarHBondContact CA-O 3.48Å; H128-I162 HydrophobicContact CB-CD1 4.29Å
129I97.9Very high92Very high0 Ų031 Ų310%017%0.17CC..EExtended strand (participates in β ladder)trans-116.2115.4176.4-58.7179.8000108.8V61 L113 L123 V131 L148 V159 K160 I161 I162V61-I129 HydrophobicContact CG1-CB 4.09Å; V61-I129 HydrophobicContact CG1-CG1 3.74Å; V61-I129 HydrophobicContact CG1-CG2 4.05Å; L113-I129 HydrophobicContact CD2-CG2 3.88Å; L123-I129 HydrophobicContact CB-CD1 4.07Å; L123-I129 HydrophobicContact CD1-CD1 4.44Å; L123-I129 HydrophobicContact CD2-CD1 4.16Å; L123-I129 HydrophobicContact CG-CD1 4.45Å; I129-V131 HydrophobicContact CG2-CG2 4.44Å; I129-L148 HydrophobicContact CD1-CD2 3.69Å; I129-L148 HydrophobicContact CG2-CD1 4.22Å; I129-L148 HydrophobicContact CG2-CD2 4.08Å; I129-V159 HydrophobicContact CD1-CG1 4Å; I129-V159 HydrophobicContact CG1-CG1 4.03Å; I129-K160 PolarHBondContact N-O 2.89Å; I129-I161 WeakPolarHBondContact O-CA 3.18Å; I129-I162 PolarHBondContact O-N 3.22Å
130F97.6Very high92Very high0 Ų030.5 Ų30.50%017%0.165CC..EExtended strand (participates in β ladder)trans-98.3124.6173.9-71-104.3000110.5L43 P44 I47 I60 V61 V62 T63 H128 I162 M164L43-F130 HydrophobicContact CB-CE1 4.38Å; L43-F130 HydrophobicContact CD2-CE1 3.77Å; L43-F130 HydrophobicContact CG-CE1 3.79Å; L43-F130 HydrophobicContact CG-CZ 4.27Å; P44-F130 HydrophobicContact CB-CE2 4.4Å; P44-F130 HydrophobicContact CB-CZ 4.41Å; P44-F130 HydrophobicContact CG-CD1 4.42Å; P44-F130 HydrophobicContact CG-CE1 4.26Å; P44-F130 HydrophobicContact CG-CE2 4.48Å; P44-F130 HydrophobicContact CG-CZ 4.26Å; I47-F130 HydrophobicContact CD1-CE2 3.99Å; I47-F130 HydrophobicContact CD1-CZ 3.46Å; I47-F130 VanDerWaalsContact CD1-CZ 3.46Å; I47-F130 HydrophobicContact CG1-CZ 4.36Å; I60-F130 HydrophobicContact CG2-CD2 3.63Å; I60-F130 HydrophobicContact CG2-CE2 3.55Å; V61-F130 PolarHBondContact O-N 2.87Å; V62-F130 HydrophobicContact CB-CB 4.12Å; V62-F130 HydrophobicContact CG1-CB 3.9Å; V62-F130 HydrophobicContact CG2-CB 3.96Å; V62-F130 HydrophobicContact CG2-CD2 4.13Å; V62-F130 HydrophobicContact CG2-CG 4.15Å; T63-F130 PolarHBondContact N-O 3.19Å; T63-F130 PolarHBondContact OG1-O 3.31Å; T63-F130 VanDerWaalsContact OG1-O 3.08Å; H128-F130 HydrophobicContact CB-CD2 4.44Å; H128-F130 HydrophobicContact CB-CE2 4.02Å; F130-I162 CarbonylContact C-O 3.59Å; F130-I162 VanDerWaalsContact CA-O 3.3Å; F130-I162 WeakPolarHBondContact CA-O 3.28Å; F130-I162 HydrophobicContact CD1-CB 3.6Å; F130-I162 HydrophobicContact CD1-CD1 4.48Å; F130-I162 HydrophobicContact CD1-CG1 4.32Å; F130-I162 HydrophobicContact CD1-CG2 3.68Å; F130-I162 HydrophobicContact CD2-CD1 4.22Å; F130-I162 HydrophobicContact CE1-CB 3.74Å; F130-I162 HydrophobicContact CE1-CD1 4.2Å; F130-I162 HydrophobicContact CE1-CG1 4.02Å; F130-I162 HydrophobicContact CE1-CG2 3.67Å; F130-I162 HydrophobicContact CE2-CD1 3.93Å; F130-I162 HydrophobicContact CG-CB 4.11Å; F130-I162 HydrophobicContact CG-CD1 4.5Å; F130-I162 HydrophobicContact CZ-CB 4.37Å; F130-I162 HydrophobicContact CZ-CD1 3.95Å; F130-I162 HydrophobicContact CZ-CG1 4.2Å; F130-M164 HydrophobicContact CB-CE 4.04Å; F130-M164 HydrophobicContact CD1-CE 3.85Å; F130-M164 HydrophobicContact CD1-SD 3.89Å; F130-M164 HydrophobicContact CE1-SD 4.44Å; F130-M164 HydrophobicContact CG-CE 4.41Å
131V96.1Very high92Very high0 Ų027.8 Ų27.80%014%0.142CC..EExtended strand (participates in β ladder)trans-105.1104.1170.2-163.80000108.6T63 I129 V134 M141 L144 L145 L148 I162 L163 M164T63-V131 VanDerWaalsContact OG1-CA 3.31Å; T63-V131 WeakPolarHBondContact OG1-CA 3.46Å; I129-V131 HydrophobicContact CG2-CG2 4.44Å; V131-V134 HydrophobicContact CB-CG1 3.9Å; V131-V134 HydrophobicContact CG1-CG1 3.65Å; V131-V134 WeakPolarHBondContact O-CG1 3.39Å; V131-M141 HydrophobicContact CG1-CG 4.34Å; V131-L144 HydrophobicContact CG1-CD2 4.49Å; V131-L144 HydrophobicContact CG2-CD2 4.5Å; V131-L145 HydrophobicContact CB-CD2 4.44Å; V131-L145 HydrophobicContact CG1-CD2 4.21Å; V131-L145 HydrophobicContact CG2-CD2 4.27Å; V131-L148 HydrophobicContact CG2-CD1 3.57Å; V131-I162 PolarHBondContact N-O 3.01Å; V131-L163 HydrophobicContact CB-CD2 3.71Å; V131-L163 HydrophobicContact CG2-CD2 3.77Å; V131-L163 CarbonylContact O-C 3.51Å; V131-M164 PolarHBondContact O-N 3.06Å
132D92.7Very high91.9Very high2 Ų223.9 Ų23.91%0.01113%0.126CC..  trans-91.3156.5-179.2-157.613.6000112.2T40 T63 Q64 V134 M164T40-D132 VanDerWaalsContact CB-OD2 3.27Å; T40-D132 WeakPolarHBondContact CB-OD2 3.3Å; T40-D132 WeakPolarHBondContact CG2-OD2 3.43Å; T40-D132 PolarHBondContact OG1-OD2 3.37Å; T63-D132 VanDerWaalsContact O-CB 3.26Å; T63-D132 WeakPolarHBondContact O-CB 3.26Å; Q64-D132 VanDerWaalsContact NE2-CB 3.31Å; Q64-D132 PolarHBondContact NE2-OD2 3.17Å; D132-V134 VanDerWaalsContact C-N 3.28Å; D132-V134 PolarHBondContact O-N 3.22Å; D132-M164 HydrophobicContact CB-CE 3.58Å; D132-M164 VanDerWaalsContact OD1-CB 3.27Å; D132-M164 WeakPolarHBondContact OD1-CB 3.27Å
133E88.2Confident91.9Very high25 Ų2522.9 Ų22.912%0.11712%0.118CC..  trans54.340.7178.3-50.2-67-167.600113.1P65 H135 E136 M141 M164P65-E133 HydrophobicContact CG-CB 4.1Å; P65-E133 HydrophobicContact CG-CG 4.23Å; E133-H135 PolarHBondContact O-N 3.2Å; E133-H135 IonicContact OE2-CE1 3.09Å; E133-H135 PolarHBondContact OE2-CE1 2.99Å; E133-H135 IonicContact OE2-ND1 3.1Å; E133-H135 IonicContact OE2-NE2 3.54Å; E133-E136 HydrophobicContact CB-CG 4.34Å; E133-E136 PolarHBondContact O-N 2.62Å; E133-M141 WeakPolarHBondContact O-CE 3.41Å; E133-M164 PolarHBondContact N-O 3.15Å; E133-M164 VanDerWaalsContact N-O 3.14Å
134V89.9Confident91.9Very high0 Ų022.9 Ų22.90%012%0.118CC..G310 helixtrans-59.5-14.8-173.9-64.20000114.7V131 D132 R137 M141 L163 M164 F173V131-V134 HydrophobicContact CB-CG1 3.9Å; V131-V134 HydrophobicContact CG1-CG1 3.65Å; V131-V134 WeakPolarHBondContact O-CG1 3.39Å; D132-V134 VanDerWaalsContact C-N 3.28Å; D132-V134 PolarHBondContact O-N 3.22Å; V134-R137 WeakPolarHBondContact O-CD 3.26Å; V134-M141 WeakPolarHBondContact CA-SD 3.31Å; V134-M141 HydrophobicContact CB-SD 4.23Å; V134-M141 VanDerWaalsContact O-SD 3.37Å; V134-L163 HydrophobicContact CG1-CB 4.18Å; V134-L163 HydrophobicContact CG1-CD2 4.3Å; V134-M164 PolarHBondContact N-O 3.14Å; V134-M164 VanDerWaalsContact N-O 3.15Å; V134-F173 HydrophobicContact CB-CE1 3.91Å; V134-F173 HydrophobicContact CB-CZ 3.94Å; V134-F173 HydrophobicContact CG2-CD1 4.39Å; V134-F173 HydrophobicContact CG2-CD2 4.27Å; V134-F173 HydrophobicContact CG2-CE1 4.03Å; V134-F173 HydrophobicContact CG2-CE2 3.9Å; V134-F173 HydrophobicContact CG2-CG 4.5Å; V134-F173 HydrophobicContact CG2-CZ 3.77Å; V134-F173 VanDerWaalsContact O-CZ 3.23Å; V134-F173 WeakPolarHBondContact O-CZ 3.26Å
135H84.7Confident92Very high22 Ų2218.1 Ų18.110%0.1029%0.089CC..G310 helixtrans-83.1-6.3179.359.8-92.4000114.3E133 S165 A166 T167 Q374E133-H135 PolarHBondContact O-N 3.2Å; E133-H135 IonicContact OE2-CE1 3.09Å; E133-H135 PolarHBondContact OE2-CE1 2.99Å; E133-H135 IonicContact OE2-ND1 3.1Å; E133-H135 IonicContact OE2-NE2 3.54Å; H135-S165 PolarHBondContact ND1-OG 3.29Å; H135-A166 PolarHBondContact CE1-N 3.12Å; H135-A166 PolarHBondContact ND1-N 3.46Å; H135-T167 HydrophobicContact CB-CG2 3.83Å; H135-T167 WeakPolarHBondContact CB-OG1 3.46Å; H135-Q374 PolarHBondContact CD2-NE2 2.97Å; H135-Q374 PolarHBondContact NE2-NE2 2.72Å
136E80Confident92.1Very high40 Ų4013.7 Ų13.719%0.1877%0.068CC..G310 helixtrans-70.8-21.4172-65.9-171.4-178.300112.2P65 E133 S138 M141 S332P65-E136 WeakPolarHBondContact CB-OE2 3.41Å; P65-E136 WeakPolarHBondContact CG-OE2 3.13Å; E133-E136 HydrophobicContact CB-CG 4.34Å; E133-E136 PolarHBondContact O-N 2.62Å; E136-S138 VanDerWaalsContact C-N 3.3Å; E136-S138 PolarHBondContact O-N 3.08Å; E136-M141 HydrophobicContact CB-CE 3.79Å; E136-S332 WeakPolarHBondContact OE1-CB 3.25Å; E136-S332 PolarHBondContact OE1-OG 2.74Å
137R86.6Confident92.1Very high29 Ų2913.4 Ų13.411%0.1097%0.067CC..  trans51.442.3172.1-58.3-64.1-70.1-92.82.2114.6V134 D142 E172 P406 E407 S437V134-R137 WeakPolarHBondContact O-CD 3.26Å; R137-D142 IonicContact CZ-OD2 3.27Å; R137-D142 IonicContact NE-OD1 2.71Å; R137-D142 PolarHBondContact NE-OD1 2.7Å; R137-D142 IonicContact NE-OD2 2.9Å; R137-D142 PolarHBondContact NE-OD2 3.2Å; R137-D142 IonicContact NH2-OD2 3.64Å; R137-E172 IonicContact CZ-OE1 3.53Å; R137-E172 IonicContact CZ-OE2 3.83Å; R137-E172 IonicContact NH1-OE1 3.55Å; R137-E172 PolarHBondContact NH1-OE1 3.14Å; R137-E172 IonicContact NH1-OE2 3.69Å; R137-E172 PolarHBondContact NH1-OE2 3.13Å; R137-E172 IonicContact NH2-OE1 2.82Å; R137-E172 PolarHBondContact NH2-OE1 3.4Å; R137-E172 IonicContact NH2-OE2 3.11Å; R137-P406 HydrophobicContact CB-CB 4.2Å; R137-P406 HydrophobicContact CB-CG 4.49Å; R137-E407 PolarHBondContact O-N 3.17Å; R137-E407 VanDerWaalsContact O-N 3.15Å; R137-S437 PolarHBondContact NH2-OG 3.44Å
138S87Confident92.1Very high22 Ų2212 Ų1215%0.1546%0.057CC..  trans-73.7157.4173.468.60000112E136 E140 M141 D142 E407E136-S138 VanDerWaalsContact C-N 3.3Å; E136-S138 PolarHBondContact O-N 3.08Å; S138-E140 PolarHBondContact O-N 3.3Å; S138-M141 PolarHBondContact O-N 3Å; S138-M141 VanDerWaalsContact O-N 3.14Å; S138-M141 WeakPolarHBondContact OG-CB 3.18Å; S138-D142 PolarHBondContact O-N 3.29Å; S138-E407 VanDerWaalsContact CA-OE2 3.31Å; S138-E407 WeakPolarHBondContact CA-OE2 3.36Å; S138-E407 WeakPolarHBondContact CB-OE2 3.38Å
139E88.1Confident91.9Very high33 Ų3314.8 Ų14.815%0.1547%0.068CC..Hα-helixtrans-56.8-47.9-178.9-176.7-168.7-16500112M141 F143 E407 M408 I416E139-M141 VanDerWaalsContact C-N 3.26Å; E139-M141 PolarHBondContact O-N 3.2Å; E139-F143 WeakPolarHBondContact O-CB 3.24Å; E139-F143 PolarHBondContact O-N 2.68Å; E139-E407 HydrophobicContact CB-CB 4.3Å; E139-E407 PolarHBondContact N-OE2 3.46Å; E139-M408 HydrophobicContact CG-CE 3.96Å; E139-M408 HydrophobicContact CG-SD 4.22Å; E139-M408 WeakPolarHBondContact O-CE 3.41Å; E139-I416 HydrophobicContact CG-CD1 4.15Å; E139-I416 HydrophobicContact CG-CG1 3.62Å; E139-I416 WeakPolarHBondContact OE1-CG1 3.49Å
140E90.7Very high91.7Very high75 Ų7518.1 Ų18.135%0.358%0.082SC..Hα-helixtrans-63.3-33.2179.3-64.1-162.5130.900112.9T110 G111 L114 S138 L144 K419T110-E140 HydrophobicContact CG2-CB 4.17Å; G111-E140 VanDerWaalsContact CA-OE2 3.24Å; G111-E140 WeakPolarHBondContact CA-OE2 3.04Å; G111-E140 PolarHBondContact N-OE2 2.97Å; L114-E140 HydrophobicContact CD2-CB 4.29Å; S138-E140 PolarHBondContact O-N 3.3Å; E140-L144 VanDerWaalsContact O-CB 3.29Å; E140-L144 WeakPolarHBondContact O-CB 3.12Å; E140-L144 PolarHBondContact O-N 2.74Å; E140-K419 IonicContact OE1-NZ 3.82Å
141M92.3Very high91.5Very high1 Ų118.2 Ų18.21%0.0058%0.083CC..Hα-helixtrans-75-48.6-178.1-172.5-157-48.100111.3T110 V131 E133 V134 E136 S138 E139 F143 L144 L145T110-M141 HydrophobicContact CG2-CB 4.14Å; V131-M141 HydrophobicContact CG1-CG 4.34Å; E133-M141 WeakPolarHBondContact O-CE 3.41Å; V134-M141 WeakPolarHBondContact CA-SD 3.31Å; V134-M141 HydrophobicContact CB-SD 4.23Å; V134-M141 VanDerWaalsContact O-SD 3.37Å; E136-M141 HydrophobicContact CB-CE 3.79Å; S138-M141 PolarHBondContact O-N 3Å; S138-M141 VanDerWaalsContact O-N 3.14Å; S138-M141 WeakPolarHBondContact OG-CB 3.18Å; E139-M141 VanDerWaalsContact C-N 3.26Å; E139-M141 PolarHBondContact O-N 3.2Å; M141-F143 PolarHBondContact O-N 3.05Å; M141-L144 WeakPolarHBondContact O-CB 3.34Å; M141-L144 PolarHBondContact O-N 3.18Å; M141-L144 VanDerWaalsContact O-N 3.09Å; M141-L145 WeakPolarHBondContact O-CG 3.19Å; M141-L145 PolarHBondContact O-N 3.04Å
142D93.3Very high91.4Very high0 Ų018.7 Ų18.70%09%0.085CC..Hα-helixtrans-61.2-37.1176.8-8323000110.3R137 S138 L145 L146 M408R137-D142 IonicContact CZ-OD2 3.27Å; R137-D142 IonicContact NE-OD1 2.71Å; R137-D142 PolarHBondContact NE-OD1 2.7Å; R137-D142 IonicContact NE-OD2 2.9Å; R137-D142 PolarHBondContact NE-OD2 3.2Å; R137-D142 IonicContact NH2-OD2 3.64Å; S138-D142 PolarHBondContact O-N 3.29Å; D142-L145 PolarHBondContact O-N 3.35Å; D142-L146 PolarHBondContact O-N 3.47Å; D142-L146 VanDerWaalsContact O-N 3.1Å; D142-M408 HydrophobicContact CB-CB 4.5Å; D142-M408 HydrophobicContact CB-CE 4.03Å
143F94Very high91.3Very high1 Ų122.3 Ų22.30%0.00410%0.102CC..Hα-helixtrans-68-40.5172.8-166.8-122.5000113.1L114 V118 E139 M141 L145 L146 V147 M408 I416 K419 V420 L432L114-F143 HydrophobicContact CD1-CD1 3.57Å; L114-F143 HydrophobicContact CD1-CE1 3.93Å; L114-F143 HydrophobicContact CD2-CD1 3.78Å; L114-F143 HydrophobicContact CG-CD1 4.2Å; V118-F143 HydrophobicContact CG2-CE1 4.34Å; E139-F143 WeakPolarHBondContact O-CB 3.24Å; E139-F143 PolarHBondContact O-N 2.68Å; M141-F143 PolarHBondContact O-N 3.05Å; F143-L145 VanDerWaalsContact C-N 3.32Å; F143-L145 PolarHBondContact O-N 3.17Å; F143-L146 HydrophobicContact CD2-CD2 3.76Å; F143-L146 HydrophobicContact CE2-CD2 3.56Å; F143-L146 WeakPolarHBondContact O-CB 3.19Å; F143-L146 PolarHBondContact O-N 2.88Å; F143-V147 HydrophobicContact CD1-CG2 4.32Å; F143-V147 HydrophobicContact CE1-CG2 3.99Å; F143-V147 HydrophobicContact CE2-CG2 4.4Å; F143-V147 HydrophobicContact CZ-CG2 4.03Å; F143-V147 WeakPolarHBondContact O-CG2 3.46Å; F143-V147 PolarHBondContact O-N 2.74Å; F143-M408 HydrophobicContact CB-CE 3.89Å; F143-I416 HydrophobicContact CB-CD1 3.93Å; F143-I416 HydrophobicContact CD1-CD1 3.76Å; F143-I416 HydrophobicContact CD1-CG2 4.23Å; F143-I416 HydrophobicContact CD2-CG2 3.74Å; F143-I416 HydrophobicContact CE1-CG2 4.42Å; F143-I416 HydrophobicContact CE2-CG2 3.96Å; F143-I416 HydrophobicContact CG-CD1 3.93Å; F143-I416 HydrophobicContact CG-CG2 3.91Å; F143-I416 HydrophobicContact CZ-CG2 4.3Å; F143-K419 HydrophobicContact CE1-CB 3.78Å; F143-K419 HydrophobicContact CE1-CD 4.47Å; F143-K419 HydrophobicContact CZ-CB 4.37Å; F143-V420 HydrophobicContact CE2-CG2 3.38Å; F143-V420 HydrophobicContact CZ-CB 4.43Å; F143-V420 HydrophobicContact CZ-CG2 3.45Å; F143-V420 VanDerWaalsContact CZ-CG2 3.45Å; F143-L432 HydrophobicContact CD2-CD2 4.34Å; F143-L432 HydrophobicContact CE2-CD2 4.29Å
144L95.6Very high91.3Very high0 Ų024 Ų240%012%0.116CC..Hα-helixtrans-58.8-44.2172.8175.865.5000111T63 T110 L113 L114 L117 V131 E140 M141 L146 V147 L148T63-L144 HydrophobicContact CG2-CD2 4.06Å; T110-L144 HydrophobicContact CG2-CB 4.25Å; T110-L144 HydrophobicContact CG2-CD2 3.79Å; L113-L144 HydrophobicContact CD2-CD1 4.3Å; L113-L144 HydrophobicContact CD2-CD2 4.24Å; L113-L144 HydrophobicContact CG-CD1 4.32Å; L114-L144 HydrophobicContact CB-CD1 4.41Å; L114-L144 HydrophobicContact CD1-CB 4.43Å; L114-L144 HydrophobicContact CD1-CD1 4.46Å; L117-L144 HydrophobicContact CD1-CD1 3.77Å; V131-L144 HydrophobicContact CG1-CD2 4.49Å; V131-L144 HydrophobicContact CG2-CD2 4.5Å; E140-L144 VanDerWaalsContact O-CB 3.29Å; E140-L144 WeakPolarHBondContact O-CB 3.12Å; E140-L144 PolarHBondContact O-N 2.74Å; M141-L144 WeakPolarHBondContact O-CB 3.34Å; M141-L144 PolarHBondContact O-N 3.18Å; M141-L144 VanDerWaalsContact O-N 3.09Å; L144-L146 VanDerWaalsContact C-N 3.3Å; L144-L146 PolarHBondContact O-N 3.44Å; L144-V147 PolarHBondContact O-N 3.47Å; L144-L148 HydrophobicContact CD1-CD1 4.23Å; L144-L148 HydrophobicContact CD1-CD2 4.39Å; L144-L148 HydrophobicContact CD1-CG 3.99Å; L144-L148 HydrophobicContact CG-CD1 3.95Å; L144-L148 HydrophobicContact CG-CG 4.16Å; L144-L148 WeakPolarHBondContact O-CB 3.3Å; L144-L148 VanDerWaalsContact O-CG 3.22Å; L144-L148 WeakPolarHBondContact O-CG 3.32Å; L144-L148 PolarHBondContact O-N 2.95Å
145L95.7Very high91.4Very high0 Ų028 Ų280%014%0.138CC..Hα-helixtrans-60.6-39.6177.5-67177.7000111.9V131 M141 D142 F143 R149 L163 F173 Y176 F177 L436V131-L145 HydrophobicContact CB-CD2 4.44Å; V131-L145 HydrophobicContact CG1-CD2 4.21Å; V131-L145 HydrophobicContact CG2-CD2 4.27Å; M141-L145 WeakPolarHBondContact O-CG 3.19Å; M141-L145 PolarHBondContact O-N 3.04Å; D142-L145 PolarHBondContact O-N 3.35Å; F143-L145 VanDerWaalsContact C-N 3.32Å; F143-L145 PolarHBondContact O-N 3.17Å; L145-R149 WeakPolarHBondContact O-CB 3.45Å; L145-R149 PolarHBondContact O-N 3.03Å; L145-L163 HydrophobicContact CD2-CD1 4.43Å; L145-L163 HydrophobicContact CD2-CD2 3.63Å; L145-F173 HydrophobicContact CD1-CD1 4.11Å; L145-F173 HydrophobicContact CD1-CE1 3.91Å; L145-Y176 HydrophobicContact CB-CE1 4.39Å; L145-F177 HydrophobicContact CB-CE2 4.44Å; L145-F177 HydrophobicContact CB-CZ 4.28Å; L145-F177 HydrophobicContact CD2-CE2 4.07Å; L145-F177 HydrophobicContact CD2-CZ 4.08Å; L145-L436 HydrophobicContact CD1-CD2 4.21Å
146L95.1Very high91.8Very high0 Ų027.1 Ų27.10%013%0.134CC..Hα-helixtrans-61.3-50.9171.9176.2111.2000112D142 F143 L144 L148 R149 K150 Y176 L431 A435D142-L146 PolarHBondContact O-N 3.47Å; D142-L146 VanDerWaalsContact O-N 3.1Å; F143-L146 HydrophobicContact CD2-CD2 3.76Å; F143-L146 HydrophobicContact CE2-CD2 3.56Å; F143-L146 WeakPolarHBondContact O-CB 3.19Å; F143-L146 PolarHBondContact O-N 2.88Å; L144-L146 VanDerWaalsContact C-N 3.3Å; L144-L146 PolarHBondContact O-N 3.44Å; L146-L148 PolarHBondContact O-N 3.08Å; L146-R149 PolarHBondContact O-N 3.02Å; L146-K150 WeakPolarHBondContact O-CG 3.33Å; L146-K150 PolarHBondContact O-N 2.91Å; L146-Y176 WeakPolarHBondContact CA-OH 3.45Å; L146-L431 WeakPolarHBondContact CD1-O 3.34Å; L146-L431 HydrophobicContact CD2-CD1 4.2Å; L146-L431 HydrophobicContact CD2-CD2 4.28Å; L146-L431 HydrophobicContact CD2-CG 3.97Å; L146-A435 VanDerWaalsContact CD1-CA 3.48Å; L146-A435 HydrophobicContact CD1-CB 3.94Å
147V95.1Very high92.2Very high0 Ų033.8 Ų33.80%016%0.157CC..Hα-helixtrans-59.3-46.7179.3171.90000110.9L114 L117 F143 L144 R149 K150 L151 L423L114-V147 HydrophobicContact CD1-CG2 4.04Å; L117-V147 HydrophobicContact CB-CG1 4.24Å; F143-V147 HydrophobicContact CD1-CG2 4.32Å; F143-V147 HydrophobicContact CE1-CG2 3.99Å; F143-V147 HydrophobicContact CE2-CG2 4.4Å; F143-V147 HydrophobicContact CZ-CG2 4.03Å; F143-V147 WeakPolarHBondContact O-CG2 3.46Å; F143-V147 PolarHBondContact O-N 2.74Å; L144-V147 PolarHBondContact O-N 3.47Å; V147-R149 PolarHBondContact O-N 3.31Å; V147-K150 PolarHBondContact O-N 2.86Å; V147-L151 HydrophobicContact CG1-CD1 3.64Å; V147-L151 HydrophobicContact CG1-CG 4.28Å; V147-L151 WeakPolarHBondContact O-CB 3.39Å; V147-L151 WeakPolarHBondContact O-CG 3.32Å; V147-L151 PolarHBondContact O-N 3.31Å; V147-L423 HydrophobicContact CG1-CD1 4.49Å; V147-L423 HydrophobicContact CG2-CD2 4.02Å
148L95.9Very high92.4Very high0 Ų040.9 Ų40.90%019%0.191CC..Hα-helixtrans-58-48.8176.5-72.2177.8000111.4L117 L123 I129 V131 L144 L146 K150 L152 I161L117-L148 HydrophobicContact CD1-CD2 3.76Å; L123-L148 HydrophobicContact CD1-CD2 4.13Å; L123-L148 HydrophobicContact CD2-CD2 3.69Å; I129-L148 HydrophobicContact CD1-CD2 3.69Å; I129-L148 HydrophobicContact CG2-CD1 4.22Å; I129-L148 HydrophobicContact CG2-CD2 4.08Å; V131-L148 HydrophobicContact CG2-CD1 3.57Å; L144-L148 HydrophobicContact CD1-CD1 4.23Å; L144-L148 HydrophobicContact CD1-CD2 4.39Å; L144-L148 HydrophobicContact CD1-CG 3.99Å; L144-L148 HydrophobicContact CG-CD1 3.95Å; L144-L148 HydrophobicContact CG-CG 4.16Å; L144-L148 WeakPolarHBondContact O-CB 3.3Å; L144-L148 VanDerWaalsContact O-CG 3.22Å; L144-L148 WeakPolarHBondContact O-CG 3.32Å; L144-L148 PolarHBondContact O-N 2.95Å; L146-L148 PolarHBondContact O-N 3.08Å; L148-K150 PolarHBondContact O-N 3.44Å; L148-L152 WeakPolarHBondContact O-CB 3.45Å; L148-L152 PolarHBondContact O-N 3.15Å; L148-I161 HydrophobicContact CB-CD1 3.99Å
149R94.2Very high92.8Very high60 Ų6040.1 Ų40.123%0.22619%0.186CC..Hα-helixtrans-59.1-47.2178.1-175.8-179.9175.1-166.55.6111.3L145 L146 V147 H153 Y176 F177L145-R149 WeakPolarHBondContact O-CB 3.45Å; L145-R149 PolarHBondContact O-N 3.03Å; L146-R149 PolarHBondContact O-N 3.02Å; V147-R149 PolarHBondContact O-N 3.31Å; R149-H153 PolarHBondContact O-N 3.34Å; R149-H153 PolarHBondContact O-ND1 2.98Å; R149-Y176 HydrophobicContact CB-CE1 4.31Å; R149-Y176 PolarHBondContact NE-O 3.37Å; R149-Y176 VanDerWaalsContact NH1-CD2 3.29Å; R149-Y176 PolarHBondContact NH1-O 3.01Å; R149-Y176 PolarHBondContact NH2-O 3.17Å; R149-F177 HydrophobicContact CB-CD1 4.3Å; R149-F177 HydrophobicContact CB-CE1 3.73Å; R149-F177 HydrophobicContact CB-CZ 4.28Å; R149-F177 HydrophobicContact CG-CD1 4.37Å; R149-F177 HydrophobicContact CG-CE1 4.29Å
150K92.9Very high93.1Very high71 Ų7140.2 Ų40.231%0.30919%0.186SC..Hα-helixtrans-65.7-47.8-178-69.9-75.7178.7167.10111.9L146 V147 L148 H153 S154 M425 L431 T434L146-K150 WeakPolarHBondContact O-CG 3.33Å; L146-K150 PolarHBondContact O-N 2.91Å; V147-K150 PolarHBondContact O-N 2.86Å; L148-K150 PolarHBondContact O-N 3.44Å; K150-H153 PolarHBondContact O-N 3.29Å; K150-S154 WeakPolarHBondContact O-CB 3.38Å; K150-S154 PolarHBondContact O-N 2.95Å; K150-S154 PolarHBondContact O-OG 3.09Å; K150-M425 HydrophobicContact CB-CE 4.36Å; K150-M425 HydrophobicContact CB-SD 4.03Å; K150-L431 HydrophobicContact CD-CD1 4.15Å; K150-L431 HydrophobicContact CG-CD1 4.14Å; K150-T434 WeakPolarHBondContact CE-OG1 3.38Å; K150-T434 PolarHBondContact NZ-OG1 2.93Å
151L94.1Very high93.4Very high1 Ų136.7 Ų36.71%0.00517%0.17CC..Hα-helixtrans-68.5-35.2-179.2-67.9176.6000112.8K121 L123 V147 H153 S154 N155 S156 M425K121-L151 WeakPolarHBondContact O-CD2 3.46Å; L123-L151 HydrophobicContact CD1-CB 4.03Å; L123-L151 HydrophobicContact CD2-CB 3.88Å; L123-L151 HydrophobicContact CD2-CD1 3.6Å; L123-L151 HydrophobicContact CD2-CG 4.39Å; L123-L151 HydrophobicContact CG-CB 3.69Å; L123-L151 HydrophobicContact CG-CD1 4.21Å; V147-L151 HydrophobicContact CG1-CD1 3.64Å; V147-L151 HydrophobicContact CG1-CG 4.28Å; V147-L151 WeakPolarHBondContact O-CB 3.39Å; V147-L151 WeakPolarHBondContact O-CG 3.32Å; V147-L151 PolarHBondContact O-N 3.31Å; L151-H153 VanDerWaalsContact C-N 3.33Å; L151-H153 PolarHBondContact O-N 2.89Å; L151-S154 WeakPolarHBondContact CA-OG 3.42Å; L151-S154 PolarHBondContact O-N 3.49Å; L151-S154 PolarHBondContact O-OG 3.4Å; L151-N155 PolarHBondContact O-N 2.97Å; L151-N155 VanDerWaalsContact O-N 3.07Å; L151-N155 PolarHBondContact O-OD1 3.43Å; L151-S156 WeakPolarHBondContact O-CB 3.26Å; L151-S156 PolarHBondContact O-N 3.33Å; L151-M425 HydrophobicContact CD2-CE 3.63Å; L151-M425 HydrophobicContact CD2-SD 4.28Å; L151-M425 HydrophobicContact CG-CE 4.45Å
152L93.6Very high93.6Very high10 Ų1036.7 Ų36.75%0.05217%0.169CC..Hα-helixtrans-59.7-44.1174.6-174.177.3000111.5V28 L123 L148 R157 V159 I161V28-L152 HydrophobicContact CG2-CD2 3.7Å; L123-L152 HydrophobicContact CD1-CB 4.37Å; L148-L152 WeakPolarHBondContact O-CB 3.45Å; L148-L152 PolarHBondContact O-N 3.15Å; L152-R157 WeakPolarHBondContact O-CA 3.29Å; L152-R157 WeakPolarHBondContact O-CG 3.48Å; L152-R157 PolarHBondContact O-N 2.81Å; L152-V159 VanDerWaalsContact CD1-O 3.29Å; L152-V159 WeakPolarHBondContact CD1-O 3.27Å; L152-I161 HydrophobicContact CB-CD1 4.23Å; L152-I161 HydrophobicContact CD1-CD1 4.07Å; L152-I161 HydrophobicContact CD2-CD1 4Å; L152-I161 HydrophobicContact CG-CD1 4.32Å
153H89.5Confident93.8Very high79 Ų7936.7 Ų36.737%0.36617%0.169SC..Hα-helixtrans-76.4-29.3-179.2-70.790.1000113R149 K150 L151R149-H153 PolarHBondContact O-N 3.34Å; R149-H153 PolarHBondContact O-ND1 2.98Å; K150-H153 PolarHBondContact O-N 3.29Å; L151-H153 VanDerWaalsContact C-N 3.33Å; L151-H153 PolarHBondContact O-N 2.89Å
154S88.6Confident93.7Very high60 Ų6036.6 Ų36.642%0.4217%0.169SC..Hα-helixtrans-83.8-67.4-176.966.50000112.9K150 L151K150-S154 WeakPolarHBondContact O-CB 3.38Å; K150-S154 PolarHBondContact O-N 2.95Å; K150-S154 PolarHBondContact O-OG 3.09Å; L151-S154 WeakPolarHBondContact CA-OG 3.42Å; L151-S154 PolarHBondContact O-N 3.49Å; L151-S154 PolarHBondContact O-OG 3.4Å
155N92.1Very high93.3Very high85 Ų8536.6 Ų36.646%0.45517%0.169SC..THydrogen-bonded Turntrans-129.5-6.9-16566.818.9000114.9K121 L151K121-N155 PolarHBondContact O-ND2 3.2Å; L151-N155 PolarHBondContact O-N 2.97Å; L151-N155 VanDerWaalsContact O-N 3.07Å; L151-N155 PolarHBondContact O-OD1 3.43Å
156S93.5Very high92.5Very high3 Ų337.8 Ų37.82%0.02118%0.179CC..  trans-123.438.4-171-60.90000113.9L123 L151 H158 V159L123-S156 PolarHBondContact N-OG 3.25Å; L151-S156 WeakPolarHBondContact O-CB 3.26Å; L151-S156 PolarHBondContact O-N 3.33Å; S156-H158 PolarHBondContact O-N 2.79Å; S156-V159 PolarHBondContact O-N 3.11Å; S156-V159 VanDerWaalsContact O-N 3.13Å
157R89Confident91.4Very high179 Ų17938.8 Ų38.868%0.67519%0.185SC*.THydrogen-bonded Turntrans-58.7-21-170.6-64.8-178.5-178.7178.21.5116L152L152-R157 WeakPolarHBondContact O-CA 3.29Å; L152-R157 WeakPolarHBondContact O-CG 3.48Å; L152-R157 PolarHBondContact O-N 2.81Å
158H90Very high89.7Confident178 Ų17844.6 Ų44.682%0.82422%0.215SC*.THydrogen-bonded Turntrans-89.9-10.1-177.3-59.2-63.1000113.9S156S156-H158 PolarHBondContact O-N 2.79Å
159V95.1Very high88.5Confident7 Ų746.7 Ų46.74%0.04223%0.226CC..  trans-76.1136.4-179.6179.80000110L123 Y126 I129 L152 S156L123-V159 HydrophobicContact CB-CB 4.25Å; L123-V159 HydrophobicContact CB-CG1 4.18Å; L123-V159 HydrophobicContact CB-CG2 3.88Å; Y126-V159 WeakPolarHBondContact O-CG2 3.38Å; I129-V159 HydrophobicContact CD1-CG1 4Å; I129-V159 HydrophobicContact CG1-CG1 4.03Å; L152-V159 VanDerWaalsContact CD1-O 3.29Å; L152-V159 WeakPolarHBondContact CD1-O 3.27Å; S156-V159 PolarHBondContact O-N 3.11Å; S156-V159 VanDerWaalsContact O-N 3.13Å
160K95.5Very high88Confident35 Ų3544.1 Ų44.115%0.15222%0.217CC..EExtended strand (participates in β ladder)trans-92.1128.2178-58.4-61.3-167.7163.80110.3I23 E24 N26 S127 H128 I129 I162I23-K160 WeakPolarHBondContact O-CE 3.27Å; I23-K160 PolarHBondContact O-NZ 3.4Å; I23-K160 VanDerWaalsContact O-NZ 3.15Å; E24-K160 PolarHBondContact O-NZ 3.03Å; N26-K160 WeakPolarHBondContact O-CD 3.26Å; N26-K160 PolarHBondContact O-NZ 3.46Å; S127-K160 PolarHBondContact O-N 3.32Å; H128-K160 WeakPolarHBondContact CA-O 3.48Å; I129-K160 PolarHBondContact N-O 2.89Å; K160-I162 HydrophobicContact CB-CD1 4.23Å
161I96.7Very high87.8Confident1 Ų149.1 Ų49.11%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-110.7127.5176.9-61.5171.6000109.5S27 V28 V29 I129 L148 L152 L163S27-I161 PolarHBondContact O-N 2.83Å; V28-I161 VanDerWaalsContact CA-O 3.3Å; V28-I161 WeakPolarHBondContact CA-O 3.38Å; V28-I161 HydrophobicContact CG1-CB 4.4Å; V28-I161 HydrophobicContact CG1-CG2 4.35Å; V28-I161 HydrophobicContact CG2-CB 4.29Å; V29-I161 PolarHBondContact N-O 3.14Å; I129-I161 WeakPolarHBondContact O-CA 3.18Å; L148-I161 HydrophobicContact CB-CD1 3.99Å; L152-I161 HydrophobicContact CB-CD1 4.23Å; L152-I161 HydrophobicContact CD1-CD1 4.07Å; L152-I161 HydrophobicContact CD2-CD1 4Å; L152-I161 HydrophobicContact CG-CD1 4.32Å; I161-L163 HydrophobicContact CG2-CD2 3.82Å; I161-L163 HydrophobicContact CG2-CG 4.39Å
162I97Very high87.5Confident0 Ų051.6 Ų51.60%025%0.246CC..EExtended strand (participates in β ladder)trans-122.3114.4179.3-56.590.4000108.8I23 V29 V31 L43 I47 H128 I129 F130 V131 K160 M164I23-I162 HydrophobicContact CD1-CG1 4.17Å; I23-I162 HydrophobicContact CG1-CG1 4.36Å; I23-I162 HydrophobicContact CG2-CD1 4.22Å; I23-I162 HydrophobicContact CG2-CG1 4.25Å; V29-I162 CarbonylContact O-C 3.56Å; V29-I162 WeakPolarHBondContact O-CA 3.12Å; V31-I162 HydrophobicContact CG2-CG2 3.94Å; L43-I162 HydrophobicContact CD2-CG2 4.17Å; I47-I162 HydrophobicContact CD1-CD1 4.49Å; H128-I162 HydrophobicContact CB-CD1 4.29Å; I129-I162 PolarHBondContact O-N 3.22Å; F130-I162 CarbonylContact C-O 3.59Å; F130-I162 VanDerWaalsContact CA-O 3.3Å; F130-I162 WeakPolarHBondContact CA-O 3.28Å; F130-I162 HydrophobicContact CD1-CB 3.6Å; F130-I162 HydrophobicContact CD1-CD1 4.48Å; F130-I162 HydrophobicContact CD1-CG1 4.32Å; F130-I162 HydrophobicContact CD1-CG2 3.68Å; F130-I162 HydrophobicContact CD2-CD1 4.22Å; F130-I162 HydrophobicContact CE1-CB 3.74Å; F130-I162 HydrophobicContact CE1-CD1 4.2Å; F130-I162 HydrophobicContact CE1-CG1 4.02Å; F130-I162 HydrophobicContact CE1-CG2 3.67Å; F130-I162 HydrophobicContact CE2-CD1 3.93Å; F130-I162 HydrophobicContact CG-CB 4.11Å; F130-I162 HydrophobicContact CG-CD1 4.5Å; F130-I162 HydrophobicContact CZ-CB 4.37Å; F130-I162 HydrophobicContact CZ-CD1 3.95Å; F130-I162 HydrophobicContact CZ-CG1 4.2Å; V131-I162 PolarHBondContact N-O 3.01Å; K160-I162 HydrophobicContact CB-CD1 4.23Å; I162-M164 HydrophobicContact CG2-CG 4.28Å
163L95.8Very high87.4Confident0 Ų051.3 Ų51.30%024%0.244CC..EExtended strand (participates in β ladder)trans-96.4129176.6-52.7-175.5000109.2V29 I30 V31 V131 V134 L145 I161 F173 F177V29-L163 PolarHBondContact O-N 2.87Å; I30-L163 CarbonylContact C-O 3.59Å; I30-L163 WeakPolarHBondContact CA-O 3.43Å; I30-L163 HydrophobicContact CG1-CB 4.09Å; I30-L163 HydrophobicContact CG1-CD1 4.08Å; I30-L163 HydrophobicContact CG1-CG 4.39Å; V31-L163 PolarHBondContact N-O 3.35Å; V131-L163 HydrophobicContact CB-CD2 3.71Å; V131-L163 HydrophobicContact CG2-CD2 3.77Å; V131-L163 CarbonylContact O-C 3.51Å; V134-L163 HydrophobicContact CG1-CB 4.18Å; V134-L163 HydrophobicContact CG1-CD2 4.3Å; L145-L163 HydrophobicContact CD2-CD1 4.43Å; L145-L163 HydrophobicContact CD2-CD2 3.63Å; I161-L163 HydrophobicContact CG2-CD2 3.82Å; I161-L163 HydrophobicContact CG2-CG 4.39Å; L163-F173 HydrophobicContact CD1-CB 4.18Å; L163-F177 HydrophobicContact CD1-CD2 3.71Å; L163-F177 HydrophobicContact CD1-CE2 3.58Å; L163-F177 HydrophobicContact CD1-CZ 4.45Å
164M92.6Very high87.6Confident0 Ų047.8 Ų47.80%023%0.228CC..EExtended strand (participates in β ladder)trans-115.6128.3-179.2-60.6-176.3-6700110.6V31 K39 L43 V62 F130 V131 D132 E133 V134 I162V31-M164 HydrophobicContact CB-CG 4.42Å; V31-M164 WeakPolarHBondContact O-CA 3.32Å; K39-M164 HydrophobicContact CB-SD 3.95Å; L43-M164 HydrophobicContact CD2-SD 4.38Å; V62-M164 HydrophobicContact CG1-CE 4.16Å; F130-M164 HydrophobicContact CB-CE 4.04Å; F130-M164 HydrophobicContact CD1-CE 3.85Å; F130-M164 HydrophobicContact CD1-SD 3.89Å; F130-M164 HydrophobicContact CE1-SD 4.44Å; F130-M164 HydrophobicContact CG-CE 4.41Å; V131-M164 PolarHBondContact O-N 3.06Å; D132-M164 HydrophobicContact CB-CE 3.58Å; D132-M164 VanDerWaalsContact OD1-CB 3.27Å; D132-M164 WeakPolarHBondContact OD1-CB 3.27Å; E133-M164 PolarHBondContact N-O 3.15Å; E133-M164 VanDerWaalsContact N-O 3.14Å; V134-M164 PolarHBondContact N-O 3.14Å; V134-M164 VanDerWaalsContact N-O 3.15Å; I162-M164 HydrophobicContact CG2-CG 4.28Å
165S88.1Confident87.8Confident0 Ų049.6 Ų49.60%023%0.23CC..EExtended strand (participates in β ladder)trans-136.3146.6-179.2-172.30000112.5V31 R32 G33 H135 T167V31-S165 PolarHBondContact O-N 3.32Å; R32-S165 WeakPolarHBondContact CA-O 3.31Å; G33-S165 PolarHBondContact N-O 2.82Å; H135-S165 PolarHBondContact ND1-OG 3.29Å; S165-T167 PolarHBondContact OG-N 3.25Å; S165-T167 PolarHBondContact OG-OG1 3.05Å
166A78.7Confident87.8Confident25 Ų2546.5 Ų46.521%0.20721%0.212CC..SBendtrans-94.8-9.2173.200000114G33 T35 H135G33-A166 WeakPolarHBondContact O-CA 3.47Å; T35-A166 HydrophobicContact CG2-CB 4.2Å; H135-A166 PolarHBondContact CE1-N 3.12Å; H135-A166 PolarHBondContact ND1-N 3.46Å
167T71.8Confident87.8Confident20 Ų2046.5 Ų46.512%0.12321%0.212CC..SBendtrans-107.1173.3-168.764.80000112.9R32 H135 S165 T370R32-T167 PolarHBondContact NE-O 2.94Å; H135-T167 HydrophobicContact CB-CG2 3.83Å; H135-T167 WeakPolarHBondContact CB-OG1 3.46Å; S165-T167 PolarHBondContact OG-N 3.25Å; S165-T167 PolarHBondContact OG-OG1 3.05Å; T167-T370 HydrophobicContact CG2-CG2 3.57Å
168I59.3Low87.8Confident122 Ų12238.3 Ų38.363%0.62618%0.182SC*.SBendtrans-82.3-18.3-175.9-157.6150.5000113.9C170I168-C170 VanDerWaalsContact C-N 3.29Å; I168-C170 PolarHBondContact O-N 3.41Å
169N70.1Confident87.5Confident45 Ų4532 Ų3224%0.24116%0.157CC..  trans-87.758.4-175.2-168.210.9000112.5R171 E172 F173 Y403N169-R171 VanDerWaalsContact C-N 3.32Å; N169-E172 PolarHBondContact ND2-OE2 2.86Å; N169-F173 WeakPolarHBondContact O-CD2 3.44Å; N169-Y403 HydrophobicContact CB-CE1 4.07Å
170C84.5Confident86.8Confident5 Ų536 Ų363%0.03418%0.182CC..  trans-81.8-12.4174.6-70.10000113.2I30 I168 F173 A174 V190I30-C170 HydrophobicContact CG2-CB 4.05Å; I168-C170 VanDerWaalsContact C-N 3.29Å; I168-C170 PolarHBondContact O-N 3.41Å; C170-F173 PolarHBondContact O-N 2.9Å; C170-A174 PolarHBondContact O-N 3.03Å; C170-A174 VanDerWaalsContact O-N 3.09Å; C170-V190 HydrophobicContact CB-CG1 3.88Å; C170-V190 HydrophobicContact CB-CG2 4.14Å
171R87.5Confident86Confident177 Ų17737.6 Ų37.667%0.66819%0.192SC*.Hα-helixtrans-66-42.3-175.1-176175.3176172.20112.4N169 F173 A174 E175N169-R171 VanDerWaalsContact C-N 3.32Å; R171-F173 VanDerWaalsContact C-N 3.32Å; R171-F173 PolarHBondContact O-N 3.17Å; R171-A174 WeakPolarHBondContact O-CB 3.34Å; R171-A174 PolarHBondContact O-N 2.73Å; R171-A174 VanDerWaalsContact O-N 3.12Å; R171-E175 HydrophobicContact CG-CG 4.37Å; R171-E175 WeakPolarHBondContact CG-OE1 3.24Å; R171-E175 IonicContact CZ-OE1 3.86Å; R171-E175 IonicContact NE-OE1 2.69Å; R171-E175 PolarHBondContact NE-OE1 3.44Å; R171-E175 IonicContact NH2-OE1 3.16Å; R171-E175 PolarHBondContact NH2-OE1 2.88Å; R171-E175 WeakPolarHBondContact O-CG 3.25Å; R171-E175 PolarHBondContact O-N 3.18Å
172E89.3Confident85Confident53 Ų5349.7 Ų49.725%0.24824%0.238CC..Hα-helixtrans-58.1-45178.5-164.9-169.9160.200111.4R137 N169 Y176 L436R137-E172 IonicContact CZ-OE1 3.53Å; R137-E172 IonicContact CZ-OE2 3.83Å; R137-E172 IonicContact NH1-OE1 3.55Å; R137-E172 PolarHBondContact NH1-OE1 3.14Å; R137-E172 IonicContact NH1-OE2 3.69Å; R137-E172 PolarHBondContact NH1-OE2 3.13Å; R137-E172 IonicContact NH2-OE1 2.82Å; R137-E172 PolarHBondContact NH2-OE1 3.4Å; R137-E172 IonicContact NH2-OE2 3.11Å; N169-E172 PolarHBondContact ND2-OE2 2.86Å; E172-Y176 VanDerWaalsContact O-CB 3.31Å; E172-Y176 WeakPolarHBondContact O-CB 3.37Å; E172-Y176 PolarHBondContact O-N 2.62Å; E172-L436 HydrophobicContact CG-CD1 3.99Å
173F91.9Very high84Confident3 Ų353.6 Ų53.61%0.01328%0.278CS..Hα-helixtrans-66.1-38.7175.6-58.6-77.7000112.4I30 V134 L145 L163 N169 C170 R171 Y176 F177 L436I30-F173 HydrophobicContact CD1-CB 3.79Å; V134-F173 HydrophobicContact CB-CE1 3.91Å; V134-F173 HydrophobicContact CB-CZ 3.94Å; V134-F173 HydrophobicContact CG2-CD1 4.39Å; V134-F173 HydrophobicContact CG2-CD2 4.27Å; V134-F173 HydrophobicContact CG2-CE1 4.03Å; V134-F173 HydrophobicContact CG2-CE2 3.9Å; V134-F173 HydrophobicContact CG2-CG 4.5Å; V134-F173 HydrophobicContact CG2-CZ 3.77Å; V134-F173 VanDerWaalsContact O-CZ 3.23Å; V134-F173 WeakPolarHBondContact O-CZ 3.26Å; L145-F173 HydrophobicContact CD1-CD1 4.11Å; L145-F173 HydrophobicContact CD1-CE1 3.91Å; L163-F173 HydrophobicContact CD1-CB 4.18Å; N169-F173 WeakPolarHBondContact O-CD2 3.44Å; C170-F173 PolarHBondContact O-N 2.9Å; R171-F173 VanDerWaalsContact C-N 3.32Å; R171-F173 PolarHBondContact O-N 3.17Å; F173-Y176 PolarHBondContact O-N 2.89Å; F173-F177 PolarHBondContact O-N 3.01Å; F173-F177 VanDerWaalsContact O-N 3.07Å; F173-L436 HydrophobicContact CD1-CD2 3.75Å; F173-L436 HydrophobicContact CE1-CD2 3.43Å; F173-L436 VanDerWaalsContact CE1-CD2 3.43Å; F173-L436 HydrophobicContact CZ-CD2 4.27Å
174A92.2Very high83.2Confident5 Ų561.4 Ų61.44%0.04131%0.312CS..Hα-helixtrans-63.3-45.317900000111.6I30 C170 R171 A178 P187 A188 V190I30-A174 HydrophobicContact CD1-CB 3.69Å; I30-A174 VanDerWaalsContact CD1-N 3.27Å; C170-A174 PolarHBondContact O-N 3.03Å; C170-A174 VanDerWaalsContact O-N 3.09Å; R171-A174 WeakPolarHBondContact O-CB 3.34Å; R171-A174 PolarHBondContact O-N 2.73Å; R171-A174 VanDerWaalsContact O-N 3.12Å; A174-A178 PolarHBondContact O-N 3.19Å; A174-P187 HydrophobicContact CB-CB 4.15Å; A174-P187 CarbonylContact O-C 3.57Å; A174-P187 WeakPolarHBondContact O-CA 3.06Å; A174-A188 VanDerWaalsContact CB-O 3.31Å; A174-A188 WeakPolarHBondContact CB-O 3.46Å; A174-A188 PolarHBondContact O-N 2.99Å; A174-V190 HydrophobicContact CB-CG2 3.94Å
175E92.7Very high82.8Confident99 Ų9966.9 Ų66.946%0.46334%0.339SS..Hα-helixtrans-67-38.2176.2-70173.7178.400111.5R171 F177 A178R171-E175 HydrophobicContact CG-CG 4.37Å; R171-E175 WeakPolarHBondContact CG-OE1 3.24Å; R171-E175 IonicContact CZ-OE1 3.86Å; R171-E175 IonicContact NE-OE1 2.69Å; R171-E175 PolarHBondContact NE-OE1 3.44Å; R171-E175 IonicContact NH2-OE1 3.16Å; R171-E175 PolarHBondContact NH2-OE1 2.88Å; R171-E175 WeakPolarHBondContact O-CG 3.25Å; R171-E175 PolarHBondContact O-N 3.18Å; E175-F177 PolarHBondContact O-N 3.14Å; E175-A178 WeakPolarHBondContact O-CB 3.4Å; E175-A178 PolarHBondContact O-N 2.76Å
176Y92.8Very high82.7Confident20 Ų2068.8 Ų68.88%0.07835%0.352CS..Hα-helixtrans-64.6-39.7178.6-176.4-107.4000113.6L145 L146 R149 E172 F173 A178 T434 L436L145-Y176 HydrophobicContact CB-CE1 4.39Å; L146-Y176 WeakPolarHBondContact CA-OH 3.45Å; R149-Y176 HydrophobicContact CB-CE1 4.31Å; R149-Y176 PolarHBondContact NE-O 3.37Å; R149-Y176 VanDerWaalsContact NH1-CD2 3.29Å; R149-Y176 PolarHBondContact NH1-O 3.01Å; R149-Y176 PolarHBondContact NH2-O 3.17Å; E172-Y176 VanDerWaalsContact O-CB 3.31Å; E172-Y176 WeakPolarHBondContact O-CB 3.37Å; E172-Y176 PolarHBondContact O-N 2.62Å; F173-Y176 PolarHBondContact O-N 2.89Å; Y176-A178 VanDerWaalsContact C-N 3.28Å; Y176-A178 PolarHBondContact O-N 3.22Å; Y176-T434 WeakPolarHBondContact CE2-O 3.38Å; Y176-T434 PolarHBondContact OH-O 3.43Å; Y176-T434 VanDerWaalsContact OH-O 3.08Å; Y176-L436 HydrophobicContact CD1-CD1 4.09Å; Y176-L436 HydrophobicContact CD2-CB 4.26Å; Y176-L436 HydrophobicContact CD2-CD1 3.77Å; Y176-L436 HydrophobicContact CE2-CB 4.15Å; Y176-L436 HydrophobicContact CE2-CD1 4.49Å; Y176-L436 HydrophobicContact CG-CB 4.49Å; Y176-L436 HydrophobicContact CG-CD1 3.53Å
177F92.9Very high83.3Confident2 Ų271.2 Ų71.21%0.00937%0.366CS..THydrogen-bonded Turntrans-90.719175.3-76.1-84.9000113.4V28 L145 R149 L163 F173 E175 T179 A188V28-F177 HydrophobicContact CB-CB 4.38Å; V28-F177 HydrophobicContact CG1-CB 3.93Å; V28-F177 HydrophobicContact CG1-CD1 4.12Å; V28-F177 HydrophobicContact CG1-CG 3.95Å; V28-F177 HydrophobicContact CG2-CB 4.4Å; V28-F177 HydrophobicContact CG2-CD1 3.98Å; V28-F177 HydrophobicContact CG2-CG 4.48Å; L145-F177 HydrophobicContact CB-CE2 4.44Å; L145-F177 HydrophobicContact CB-CZ 4.28Å; L145-F177 HydrophobicContact CD2-CE2 4.07Å; L145-F177 HydrophobicContact CD2-CZ 4.08Å; R149-F177 HydrophobicContact CB-CD1 4.3Å; R149-F177 HydrophobicContact CB-CE1 3.73Å; R149-F177 HydrophobicContact CB-CZ 4.28Å; R149-F177 HydrophobicContact CG-CD1 4.37Å; R149-F177 HydrophobicContact CG-CE1 4.29Å; L163-F177 HydrophobicContact CD1-CD2 3.71Å; L163-F177 HydrophobicContact CD1-CE2 3.58Å; L163-F177 HydrophobicContact CD1-CZ 4.45Å; F173-F177 PolarHBondContact O-N 3.01Å; F173-F177 VanDerWaalsContact O-N 3.07Å; E175-F177 PolarHBondContact O-N 3.14Å; F177-T179 PolarHBondContact O-N 3.16Å; F177-A188 HydrophobicContact CB-CB 3.95Å
178A89.9Confident84.1Confident7 Ų770.7 Ų70.76%0.05836%0.364CS..  trans-58.9137.6178.100000111.8A174 E175 Y176 M185 S186A174-A178 PolarHBondContact O-N 3.19Å; E175-A178 WeakPolarHBondContact O-CB 3.4Å; E175-A178 PolarHBondContact O-N 2.76Å; Y176-A178 VanDerWaalsContact C-N 3.28Å; Y176-A178 PolarHBondContact O-N 3.22Å; A178-M185 HydrophobicContact CB-CB 4.2Å; A178-M185 HydrophobicContact CB-CE 4.11Å; A178-M185 WeakPolarHBondContact O-CE 3.35Å; A178-S186 CarbonylContact C-O 3.5Å; A178-S186 WeakPolarHBondContact CA-O 3.48Å; A178-S186 WeakPolarHBondContact CB-O 3.35Å
179T84Confident85.6Confident46 Ų4670.9 Ų70.928%0.28236%0.357SS..EExtended strand (participates in β ladder)trans-108.6143.6179.255.40000110.6F177 I181 S186F177-T179 PolarHBondContact O-N 3.16Å; T179-I181 PolarHBondContact O-N 3.47Å; T179-S186 PolarHBondContact N-O 3.43Å; T179-S186 PolarHBondContact O-N 2.89Å
180P79.8Confident86.6Confident90 Ų9071.7 Ų71.758%0.58436%0.364SS*.EExtended strand (participates in β ladder)trans-75.1113.8177.428.3-31.6000110.3M185P180-M185 HydrophobicContact CB-SD 4.06Å
181I78.1Confident86.9Confident70 Ų7072.6 Ų72.636%0.35937%0.367SS..EExtended strand (participates in β ladder)trans-119.3117.8174.4-54.2-179.6000107.7T179 G183 K184T179-I181 PolarHBondContact O-N 3.47Å; I181-G183 PolarHBondContact O-N 2.95Å; I181-K184 PolarHBondContact N-O 3.19Å; I181-K184 PolarHBondContact O-N 2.83Å; I181-K184 VanDerWaalsContact O-O 3.05Å
182W75.8Confident86.9Confident255 Ų25569.5 Ų69.597%0.96636%0.36SS*.THydrogen-bonded Turntrans49.840.2-178.5-54.6-38.7000114.6K184W182-K184 VanDerWaalsContact C-N 3.27Å; W182-K184 PolarHBondContact O-N 2.83Å
183G76.1Confident86.7Confident81 Ų8167.4 Ų67.484%0.83535%0.35SS*.THydrogen-bonded Turntrans782.5179.100000115.3I181I181-G183 PolarHBondContact O-N 2.95Å
184K79.4Confident85.7Confident165 Ų16574.8 Ų74.872%0.71739%0.385SS*.EExtended strand (participates in β ladder)trans-112.1141.8170-72.7-176.6178.2178.60110.6I181 W182 S186I181-K184 PolarHBondContact N-O 3.19Å; I181-K184 PolarHBondContact O-N 2.83Å; I181-K184 VanDerWaalsContact O-O 3.05Å; W182-K184 VanDerWaalsContact C-N 3.27Å; W182-K184 PolarHBondContact O-N 2.83Å; K184-S186 PolarHBondContact O-N 3.22Å
185M83.9Confident84.3Confident115 Ų11576.3 Ų76.357%0.56740%0.401SS*.EExtended strand (participates in β ladder)trans-78.5113.2174-68.5-68.6-88.100108.9A178 P180A178-M185 HydrophobicContact CB-CB 4.2Å; A178-M185 HydrophobicContact CB-CE 4.11Å; A178-M185 WeakPolarHBondContact O-CE 3.35Å; P180-M185 HydrophobicContact CB-SD 4.06Å
186S86.5Confident82.6Confident40 Ų4076.2 Ų76.228%0.2842%0.417SS..EExtended strand (participates in β ladder)trans-97.2125.7175.9-68.40000109.4A178 T179 K184A178-S186 CarbonylContact C-O 3.5Å; A178-S186 WeakPolarHBondContact CA-O 3.48Å; A178-S186 WeakPolarHBondContact CB-O 3.35Å; T179-S186 PolarHBondContact N-O 3.43Å; T179-S186 PolarHBondContact O-N 2.89Å; K184-S186 PolarHBondContact O-N 3.22Å
187P90.2Very high81.3Confident75 Ų7578.2 Ų78.249%0.48743%0.433SS..PPolyproline II helixtrans-64.6151.2-17927.4-34000111.4A174A174-P187 HydrophobicContact CB-CB 4.15Å; A174-P187 CarbonylContact O-C 3.57Å; A174-P187 WeakPolarHBondContact O-CA 3.06Å
188A90.4Very high80.3Confident10 Ų1083.6 Ų83.68%0.08346%0.456CS..PPolyproline II helixtrans-62.7144.7173.600000110.5V28 I30 A174 F177V28-A188 HydrophobicContact CB-CB 4.25Å; V28-A188 HydrophobicContact CG1-CB 4.19Å; I30-A188 HydrophobicContact CD1-CB 4.33Å; A174-A188 VanDerWaalsContact CB-O 3.31Å; A174-A188 WeakPolarHBondContact CB-O 3.46Å; A174-A188 PolarHBondContact O-N 2.99Å; F177-A188 HydrophobicContact CB-CB 3.95Å
189Y89.9Confident80Confident126 Ų12688.1 Ų88.149%0.49448%0.483SS..EExtended strand (participates in β ladder)trans-72.5139.1-174.4-69.9-85.5000112.4F22 N26 I30F22-Y189 HydrophobicContact CE1-CD1 4.46Å; F22-Y189 AromaticContact CE1-CG 3.91Å; F22-Y189 HydrophobicContact CE1-CG 3.91Å; F22-Y189 HydrophobicContact CE2-CD1 4.43Å; F22-Y189 HydrophobicContact CE2-CG 4.48Å; F22-Y189 AromaticContact CZ-CD1 3.64Å; F22-Y189 HydrophobicContact CZ-CD1 3.64Å; F22-Y189 HydrophobicContact CZ-CD2 4.27Å; F22-Y189 HydrophobicContact CZ-CE1 4.49Å; F22-Y189 AromaticContact CZ-CG 3.5Å; F22-Y189 HydrophobicContact CZ-CG 3.5Å; F22-Y189 VanDerWaalsContact CZ-CG 3.5Å; N26-Y189 WeakPolarHBondContact OD1-CD2 3.46Å; N26-Y189 WeakPolarHBondContact OD1-CE2 3.23Å; I30-Y189 PolarHBondContact N-O 3.38Å
190V91Very high80.1Confident62 Ų6287.6 Ų87.638%0.37648%0.479SS..EExtended strand (participates in β ladder)trans-107.5118.9174.7-174.90000109I30 R32 C170 A174I30-V190 HydrophobicContact CB-CG2 4.17Å; I30-V190 HydrophobicContact CD1-CG2 4.14Å; I30-V190 HydrophobicContact CG2-CG1 4.4Å; I30-V190 HydrophobicContact CG2-CG2 4.44Å; I30-V190 CarbonylContact O-C 3.49Å; I30-V190 WeakPolarHBondContact O-CA 3.38Å; R32-V190 HydrophobicContact CB-CG1 4.26Å; C170-V190 HydrophobicContact CB-CG1 3.88Å; C170-V190 HydrophobicContact CB-CG2 4.14Å; A174-V190 HydrophobicContact CB-CG2 3.94Å
191Y89.8Confident80.8Confident23 Ų2387 Ų879%0.0947%0.468CS..EExtended strand (participates in β ladder)trans-100.6124.2172.6-167.1-82.6000109.5D15 Q18 L19 I30 R32 V193D15-Y191 HydrophobicContact CB-CE1 3.96Å; D15-Y191 WeakPolarHBondContact CB-OH 3.36Å; D15-Y191 VanDerWaalsContact CG-OH 3.3Å; D15-Y191 PolarHBondContact OD1-OH 2.82Å; Q18-Y191 HydrophobicContact CG-CE2 3.93Å; Q18-Y191 PolarHBondContact OE1-OH 3.18Å; L19-Y191 HydrophobicContact CD1-CD1 4.26Å; L19-Y191 HydrophobicContact CD1-CE1 3.97Å; L19-Y191 HydrophobicContact CD2-CD1 3.74Å; L19-Y191 HydrophobicContact CD2-CE1 4.18Å; L19-Y191 HydrophobicContact CD2-CG 3.94Å; L19-Y191 HydrophobicContact CG-CD1 3.91Å; L19-Y191 HydrophobicContact CG-CE1 3.8Å; L19-Y191 HydrophobicContact CG-CE2 4.49Å; L19-Y191 HydrophobicContact CG-CG 4.32Å; I30-Y191 PolarHBondContact O-N 3.01Å; R32-Y191 PolarHBondContact N-O 3.18Å; Y191-V193 HydrophobicContact CD1-CG2 4.22Å; Y191-V193 HydrophobicContact CE1-CG2 4.4Å
192E88.6Confident81.5Confident113 Ų11386.4 Ų86.453%0.52846%0.464SS..EExtended strand (participates in β ladder)trans-100.5118.6177.9-171.7158.3-164.400109.9R32R32-E192 IonicContact CZ-OE1 2.76Å; R32-E192 VanDerWaalsContact CZ-OE1 3.28Å; R32-E192 IonicContact NH1-OE1 2.65Å; R32-E192 PolarHBondContact NH1-OE1 2.89Å; R32-E192 IonicContact NH1-OE2 2.62Å; R32-E192 PolarHBondContact NH1-OE2 2.92Å; R32-E192 VanDerWaalsContact NH1-OE2 3.11Å; R32-E192 IonicContact NH2-OE1 2.8Å
193V84.5Confident82.3Confident8 Ų876.9 Ų76.95%0.04843%0.429CS..PPolyproline II helixtrans-80.9120.1178.1178.70000109.2P11 I12 V31 R32 Y191P11-V193 HydrophobicContact CB-CG1 4.24Å; I12-V193 HydrophobicContact CB-CG1 3.92Å; I12-V193 HydrophobicContact CD1-CG2 4.2Å; I12-V193 HydrophobicContact CG1-CG1 4.18Å; I12-V193 HydrophobicContact CG1-CG2 4.11Å; V31-V193 HydrophobicContact CG1-CG2 3.72Å; R32-V193 PolarHBondContact O-N 3.29Å; Y191-V193 HydrophobicContact CD1-CG2 4.22Å; Y191-V193 HydrophobicContact CE1-CG2 4.4Å
194E71.2Confident83.1Confident159 Ų15973.6 Ų73.674%0.74339%0.392SS*.PPolyproline II helixtrans-77125.3179.4-67.4-168.9170.400111.8P11P11-E194 WeakPolarHBondContact CB-O 3.31Å
195G63.3Low83.5Confident36 Ų3666.4 Ų66.437%0.37136%0.361SS..  trans160.2108.6173.300000111.6
196A56.3Low83.8Confident98 Ų9864 Ų6481%0.8135%0.35SS*.PPolyproline II helixtrans-78.4136.3178.200000110.4
197P64.8Low83.8Confident61 Ų6165.6 Ų65.640%0.39636%0.356SS..PPolyproline II helixtrans-57.9164.3161.426.3-31.9000110.1G380P197-G380 WeakPolarHBondContact CB-O 3.29Å
198F73.4Confident83.5Confident115 Ų11562.3 Ų62.350%0.50433%0.334SS..SBendtrans-53.5149.6172-70-89000110.2I200 G380 S383F198-I200 WeakPolarHBondContact O-CG1 3.45Å; F198-I200 PolarHBondContact O-N 2.8Å; F198-G380 PolarHBondContact N-O 2.98Å; F198-S383 VanDerWaalsContact CB-C 3.49Å; F198-S383 WeakPolarHBondContact CB-O 3.38Å
199T82.9Confident82.7Confident103 Ų10367.9 Ų67.963%0.63236%0.358SS*.PPolyproline II helixtrans-57.8134.5-177.948.40000111K384 G385T199-K384 WeakPolarHBondContact O-CA 3.39Å; T199-G385 PolarHBondContact O-N 2.84Å
200I87.2Confident81.7Confident35 Ų3571.7 Ų71.718%0.17938%0.378CS..EExtended strand (participates in β ladder)trans-118.3120.4178.6-50.4175.9000108F198 K376 A379 G385 C387F198-I200 WeakPolarHBondContact O-CG1 3.45Å; F198-I200 PolarHBondContact O-N 2.8Å; I200-K376 HydrophobicContact CB-CG 4.37Å; I200-K376 HydrophobicContact CD1-CG 4.11Å; I200-K376 WeakPolarHBondContact CD1-O 3.32Å; I200-K376 HydrophobicContact CG2-CD 4.27Å; I200-K376 HydrophobicContact CG2-CG 3.72Å; I200-A379 HydrophobicContact CG2-CB 4.39Å; I200-G385 WeakPolarHBondContact CA-O 3.35Å; I200-C387 HydrophobicContact CG2-CB 4.12Å
201E92.7Very high80.5Confident77 Ų7773 Ų7336%0.3638%0.382SS..EExtended strand (participates in β ladder)trans-86.1136.6173.4-71.3180-169.700110.5F203 K384 G385 F386 C387E201-F203 HydrophobicContact CB-CE2 3.74Å; E201-F203 HydrophobicContact CB-CZ 4.19Å; E201-K384 WeakPolarHBondContact OE1-CE 3.4Å; E201-K384 IonicContact OE1-NZ 3.31Å; E201-K384 PolarHBondContact OE1-NZ 3.13Å; E201-G385 PolarHBondContact N-O 2.85Å; E201-F386 HydrophobicContact CB-CD1 3.98Å; E201-F386 HydrophobicContact CB-CE1 4.34Å; E201-F386 WeakPolarHBondContact OE2-CE1 2.99Å; E201-C387 PolarHBondContact O-N 2.76Å
202E92.9Very high79.5Confident58 Ų5873.6 Ų73.627%0.27138%0.384SS..EExtended strand (participates in β ladder)trans-111.3127.7-177.9-64.3-174.1-133.400110.4Y204 K376 C387 R389E202-Y204 HydrophobicContact CB-CE2 4.41Å; E202-Y204 PolarHBondContact OE2-OH 3.01Å; E202-K376 HydrophobicContact CG-CD 3.59Å; E202-K376 WeakPolarHBondContact OE1-CD 3.42Å; E202-K376 WeakPolarHBondContact OE1-CE 3.16Å; E202-K376 IonicContact OE1-NZ 3.34Å; E202-K376 PolarHBondContact OE1-NZ 2.91Å; E202-C387 WeakPolarHBondContact CA-O 3.42Å; E202-R389 IonicContact OE2-CZ 3.34Å; E202-R389 IonicContact OE2-NE 3.28Å; E202-R389 PolarHBondContact OE2-NE 3.21Å; E202-R389 VanDerWaalsContact OE2-NE 3.1Å; E202-R389 IonicContact OE2-NH2 3.67Å; E202-R389 PolarHBondContact OE2-NH2 3.26Å; E202-R389 VanDerWaalsContact OE2-NH2 3.09Å
203F93.8Very high78.2Confident55 Ų5574 Ų7424%0.24140%0.396CS..EExtended strand (participates in β ladder)trans-120.1139.6175.3-60.2-88.6000109.6E201 D207 L208 F386 C387 Y388 R389E201-F203 HydrophobicContact CB-CE2 3.74Å; E201-F203 HydrophobicContact CB-CZ 4.19Å; F203-D207 HydrophobicContact CB-CB 4.34Å; F203-D207 HydrophobicContact CD1-CB 4.12Å; F203-L208 HydrophobicContact CB-CD2 4.37Å; F203-F386 AromaticContact CE2-CD1 3.99Å; F203-F386 HydrophobicContact CE2-CD1 3.99Å; F203-C387 PolarHBondContact N-O 2.98Å; F203-Y388 HydrophobicContact CB-CD1 3.78Å; F203-Y388 HydrophobicContact CB-CE1 4.09Å; F203-Y388 HydrophobicContact CD2-CD1 4.11Å; F203-Y388 AromaticContact CD2-CE1 3.73Å; F203-Y388 HydrophobicContact CD2-CE1 3.73Å; F203-Y388 HydrophobicContact CE2-CE1 4.43Å; F203-Y388 HydrophobicContact CG-CD1 4.16Å; F203-Y388 AromaticContact CG-CE1 3.95Å; F203-Y388 HydrophobicContact CG-CE1 3.95Å; F203-R389 PolarHBondContact O-N 3.05Å
204Y92.4Very high77.4Confident12 Ų1281.3 Ų81.35%0.04742%0.424CS..  trans-107.6169.2175.6-66.5-93.9000110E202 D206 D207 L208 R389 R393 W396E202-Y204 HydrophobicContact CB-CE2 4.41Å; E202-Y204 PolarHBondContact OE2-OH 3.01Å; Y204-D206 PolarHBondContact O-N 2.92Å; Y204-D206 VanDerWaalsContact O-N 3.11Å; Y204-D207 PolarHBondContact N-OD2 3.12Å; Y204-D207 WeakPolarHBondContact O-CB 3.46Å; Y204-D207 PolarHBondContact O-N 3Å; Y204-L208 WeakPolarHBondContact O-CG 3.46Å; Y204-R389 CarbonylContact C-O 3.53Å; Y204-R389 WeakPolarHBondContact CA-O 3.22Å; Y204-R389 HydrophobicContact CD1-CB 4.23Å; Y204-R389 HydrophobicContact CE1-CB 4.41Å; Y204-R389 VanDerWaalsContact CE1-CD 3.44Å; Y204-R393 HydrophobicContact CD1-CB 4.37Å; Y204-R393 HydrophobicContact CD2-CG 4.46Å; Y204-R393 HydrophobicContact CG-CB 4.15Å; Y204-W396 HydrophobicContact CD1-CB 4.18Å; Y204-W396 HydrophobicContact CD1-CG 4.49Å; Y204-W396 HydrophobicContact CE1-CB 3.67Å; Y204-W396 AromaticContact CE1-CD1 3.83Å; Y204-W396 HydrophobicContact CE1-CD2 4.01Å; Y204-W396 AromaticContact CE1-CG 3.53Å; Y204-W396 HydrophobicContact CE1-CG 3.53Å; Y204-W396 PolarHBondContact OH-NE1 2.9Å
205L88.6Confident77.1Confident13 Ų1384.4 Ų84.47%0.06843%0.429CS..G310 helixtrans-54.1-34.6-180-172.364.4000112.6D207 L208 I216 L233 R389 V391 T392L205-D207 VanDerWaalsContact C-N 3.29Å; L205-D207 PolarHBondContact O-N 3.22Å; L205-L208 PolarHBondContact O-N 3.44Å; L205-I216 HydrophobicContact CD1-CD1 4.34Å; L205-I216 HydrophobicContact CD2-CG2 4.22Å; L205-L233 HydrophobicContact CD1-CD2 3.52Å; L205-R389 PolarHBondContact N-O 2.96Å; L205-V391 WeakPolarHBondContact CB-O 3.34Å; L205-V391 PolarHBondContact N-O 3.03Å; L205-T392 HydrophobicContact CB-CG2 4.37Å; L205-T392 HydrophobicContact CD2-CG2 4.18Å
206D88.3Confident77.4Confident65 Ų6584.1 Ų84.135%0.34842%0.419SS..G310 helixtrans-64.2-32.6178-52.4-52.2000112.6Y204 L208 T392 R393Y204-D206 PolarHBondContact O-N 2.92Å; Y204-D206 VanDerWaalsContact O-N 3.11Å; D206-L208 VanDerWaalsContact C-N 3.27Å; D206-L208 PolarHBondContact O-N 2.71Å; D206-T392 WeakPolarHBondContact OD1-CB 3.29Å; D206-T392 VanDerWaalsContact OD1-CG2 3.27Å; D206-T392 WeakPolarHBondContact OD1-CG2 3.33Å; D206-T392 VanDerWaalsContact OD2-CA 3.27Å; D206-T392 WeakPolarHBondContact OD2-CA 3.33Å; D206-T392 VanDerWaalsContact OD2-CB 3.25Å; D206-T392 WeakPolarHBondContact OD2-CB 3.14Å; D206-R393 PolarHBondContact OD2-N 3.5Å
207D87.8Confident78Confident74 Ų7487.5 Ų87.540%0.39642%0.418SS..G310 helixtrans-75.6-19.4179.8-56.2-51.3000111.9F203 Y204 L205F203-D207 HydrophobicContact CB-CB 4.34Å; F203-D207 HydrophobicContact CD1-CB 4.12Å; Y204-D207 PolarHBondContact N-OD2 3.12Å; Y204-D207 WeakPolarHBondContact O-CB 3.46Å; Y204-D207 PolarHBondContact O-N 3Å; L205-D207 VanDerWaalsContact C-N 3.29Å; L205-D207 PolarHBondContact O-N 3.22Å
208L84.4Confident78.2Confident5 Ų588.7 Ų88.73%0.02643%0.426CS..G310 helixtrans-93.2-4.3-173.1-57.3178.4000114.3F203 Y204 L205 D206 K210 L211 Y212 L233 L237 Y388 L390F203-L208 HydrophobicContact CB-CD2 4.37Å; Y204-L208 WeakPolarHBondContact O-CG 3.46Å; L205-L208 PolarHBondContact O-N 3.44Å; D206-L208 VanDerWaalsContact C-N 3.27Å; D206-L208 PolarHBondContact O-N 2.71Å; L208-K210 PolarHBondContact O-N 3.39Å; L208-L211 HydrophobicContact CD2-CD1 4.03Å; L208-L211 PolarHBondContact O-N 3.19Å; L208-Y212 PolarHBondContact O-N 2.82Å; L208-L233 HydrophobicContact CD1-CD2 4.31Å; L208-L237 HydrophobicContact CD1-CD1 4.02Å; L208-L237 HydrophobicContact CD1-CD2 4.4Å; L208-L237 HydrophobicContact CD2-CD2 3.92Å; L208-Y388 HydrophobicContact CD1-CD1 4.42Å; L208-Y388 HydrophobicContact CD2-CD1 3.8Å; L208-Y388 HydrophobicContact CD2-CE1 4.04Å; L208-L390 HydrophobicContact CD1-CD2 4.09Å
209Q72.5Confident78Confident128 Ų12884.3 Ų84.360%0.59841%0.408SS*.THydrogen-bonded Turntrans-58-24.8-179.5-67.3-1785.700113.4Y212Q209-Y212 VanDerWaalsContact O-O 3.13Å
210K68.7Low77.6Confident206 Ų20684.7 Ų84.790%0.89640%0.403SS*.THydrogen-bonded Turntrans-75-22.9176.9-64.3179.8-177.4174.20113.7L208L208-K210 PolarHBondContact O-N 3.39Å
211L67.1Low77Confident88 Ų8885 Ų8546%0.46141%0.407SS..THydrogen-bonded Turntrans-92.5-18.5-177.3-70.3167.7000112.5L208 L237L208-L211 HydrophobicContact CD2-CD1 4.03Å; L208-L211 PolarHBondContact O-N 3.19Å; L211-L237 HydrophobicContact CD1-CD2 3.99Å
212Y69Low76.2Confident37 Ų3787.8 Ų87.815%0.14543%0.425CS..  trans-136.5112.5-178.3-159.4-103000110.5L208 Q209 Y214 I216 D232 L233L208-Y212 PolarHBondContact O-N 2.82Å; Q209-Y212 VanDerWaalsContact O-O 3.13Å; Y212-Y214 HydrophobicContact CD1-CD2 4.48Å; Y212-Y214 AromaticContact CE1-CD2 3.9Å; Y212-Y214 HydrophobicContact CE1-CD2 3.9Å; Y212-Y214 HydrophobicContact CE1-CG 4.31Å; Y212-Y214 PolarHBondContact O-N 3.45Å; Y212-I216 HydrophobicContact CD1-CD1 4.38Å; Y212-D232 HydrophobicContact CE2-CB 4.36Å; Y212-D232 WeakPolarHBondContact OH-CB 3.31Å; Y212-L233 HydrophobicContact CD2-CD1 4.42Å; Y212-L233 HydrophobicContact CG-CD1 4.05Å
213P61Low75.3Confident120 Ų12089.4 Ų89.478%0.77944%0.435SS*.  trans-72.5-11.1-168.826-33.2000114.7
214Y66.2Low74.8Confident163 Ų16389.1 Ų89.164%0.63944%0.436SS*.SBendtrans-92.1132178.5-62.9-79000111.3Y212 I216Y212-Y214 HydrophobicContact CD1-CD2 4.48Å; Y212-Y214 AromaticContact CE1-CD2 3.9Å; Y212-Y214 HydrophobicContact CE1-CD2 3.9Å; Y212-Y214 HydrophobicContact CE1-CG 4.31Å; Y212-Y214 PolarHBondContact O-N 3.45Å; Y214-I216 PolarHBondContact O-N 3.19Å
215R65.9Low74.2Confident223 Ų22394.7 Ų94.784%0.84247%0.466SS*.PPolyproline II helixtrans-66.6116.3176-152.2179.4-163.3-174.83.7109.6
216I70.3Confident74.1Confident31 Ų3194.7 Ų94.716%0.15947%0.466CS..PPolyproline II helixtrans-89.5124.6168.3-62.1171.2000106.2L205 Y212 Y214 M230 L233L205-I216 HydrophobicContact CD1-CD1 4.34Å; L205-I216 HydrophobicContact CD2-CG2 4.22Å; Y212-I216 HydrophobicContact CD1-CD1 4.38Å; Y214-I216 PolarHBondContact O-N 3.19Å; I216-M230 HydrophobicContact CG2-CG 4.35Å; I216-L233 HydrophobicContact CD1-CB 3.97Å; I216-L233 HydrophobicContact CD1-CD2 3.68Å; I216-L233 HydrophobicContact CD1-CG 4.31Å
217E69.1Low74Confident169 Ų16993.6 Ų93.679%0.7946%0.463SS*.PPolyproline II helixtrans-65.8141.5175-71178.7-177.800109.6
218P67.3Low73.8Confident86 Ų8694.7 Ų94.756%0.55847%0.474SS*.PPolyproline II helixtrans-60.5139.1177.425.8-32.5000109.6H220 T392P218-H220 PolarHBondContact O-N 2.88Å; P218-T392 HydrophobicContact CB-CG2 3.92Å
219P70.8Confident73.9Confident22 Ų22100 Ų10014%0.14350%0.497CS..PPolyproline II helixtrans-59.9139.517723.3-30.8000110.5W366 V391 F395P219-W366 HydrophobicContact CB-CH2 3.75Å; P219-W366 HydrophobicContact CB-CZ2 4.07Å; P219-W366 HydrophobicContact CG-CH2 4.14Å; P219-V391 HydrophobicContact CG-CG1 4.25Å; P219-F395 HydrophobicContact CG-CD2 4.39Å; P219-F395 HydrophobicContact CG-CE2 4.5Å; P219-F395 HydrophobicContact CG-CG 4.41Å; P219-F395 VanDerWaalsContact O-CD2 3.31Å; P219-F395 WeakPolarHBondContact O-CD2 3.4Å; P219-F395 WeakPolarHBondContact O-CE2 3.42Å
220H74.1Confident74.6Confident112 Ų11294.8 Ų94.852%0.51947%0.473SS..PPolyproline II helixtrans-86.2145.3172.1-168.7-89.4000109.4P218 D222 D223P218-H220 PolarHBondContact O-N 2.88Å; H220-D222 IonicContact CE1-OD2 3Å; H220-D222 PolarHBondContact CE1-OD2 2.75Å; H220-D222 PolarHBondContact ND1-N 2.82Å; H220-D222 IonicContact ND1-OD2 3.62Å; H220-D222 PolarHBondContact O-N 2.85Å; H220-D222 VanDerWaalsContact O-N 3.14Å; H220-D223 HydrophobicContact CB-CB 4.02Å; H220-D223 PolarHBondContact O-N 3.39Å
221P74.3Confident75.6Confident41 Ų4186 Ų8627%0.26643%0.434SS..THydrogen-bonded Turntrans-52.5-38.9-179.2-29.536.1000114W366 F395 E399P221-W366 PolarHBondContact O-NE1 3.47Å; P221-F395 HydrophobicContact CG-CE2 3.99Å; P221-E399 HydrophobicContact CG-CG 3.99Å; P221-E399 VanDerWaalsContact CG-OE2 3.28Å; P221-E399 WeakPolarHBondContact CG-OE2 3.36Å
222D74.9Confident76.6Confident136 Ų13685 Ų8573%0.72743%0.43SS*.THydrogen-bonded Turntrans-84.5-13.7179.4-57.4-46.6000114.5H220 L224H220-D222 IonicContact CE1-OD2 3Å; H220-D222 PolarHBondContact CE1-OD2 2.75Å; H220-D222 PolarHBondContact ND1-N 2.82Å; H220-D222 IonicContact ND1-OD2 3.62Å; H220-D222 PolarHBondContact O-N 2.85Å; H220-D222 VanDerWaalsContact O-N 3.14Å; D222-L224 PolarHBondContact O-N 3.26Å
223D75.9Confident77.6Confident92 Ų9283.4 Ų83.449%0.49242%0.424SS..  trans-92.792.3178.9-169.96.6000110.5H220 L225H220-D223 HydrophobicContact CB-CB 4.02Å; H220-D223 PolarHBondContact O-N 3.39Å; D223-L225 VanDerWaalsContact C-N 3.31Å; D223-L225 PolarHBondContact O-N 3.24Å; D223-L225 PolarHBondContact OD1-N 2.97Å
224L81.9Confident79Confident48 Ų4877.7 Ų77.725%0.25139%0.386SS..  trans-89.911-174.6-67.1161.6000113D222 L347 L364 W366D222-L224 PolarHBondContact O-N 3.26Å; L224-L347 HydrophobicContact CD2-CD2 3.77Å; L224-L364 HydrophobicContact CB-CB 4.47Å; L224-L364 HydrophobicContact CB-CD2 3.99Å; L224-L364 HydrophobicContact CB-CG 4.02Å; L224-L364 WeakPolarHBondContact CD1-O 3.4Å; L224-L364 WeakPolarHBondContact O-CD2 3.2Å; L224-W366 HydrophobicContact CD2-CD2 4.28Å; L224-W366 HydrophobicContact CD2-CG 4.19Å; L224-W366 HydrophobicContact CD2-CZ2 4.42Å
225L81.2Confident80.1Confident129 Ų12970.7 Ų70.768%0.67536%0.36SS*.  trans-90.9142.3-176.7-158.296.4000112.5D223 S227D223-L225 VanDerWaalsContact C-N 3.31Å; D223-L225 PolarHBondContact O-N 3.24Å; D223-L225 PolarHBondContact OD1-N 2.97Å; L225-S227 PolarHBondContact O-N 2.8Å
226I84.9Confident81.1Confident14 Ų1461.7 Ų61.77%0.07233%0.331CS..  trans-82.3110.5168.3-55.7176.5000108.8M230 Y231 L274 P275 E279 F345 L347I226-M230 HydrophobicContact CG2-CB 3.96Å; I226-Y231 HydrophobicContact CB-CE2 3.83Å; I226-Y231 HydrophobicContact CD1-CE1 4.43Å; I226-Y231 HydrophobicContact CG2-CD1 4.22Å; I226-Y231 HydrophobicContact CG2-CD2 3.79Å; I226-Y231 HydrophobicContact CG2-CE1 3.87Å; I226-Y231 HydrophobicContact CG2-CE2 3.42Å; I226-Y231 VanDerWaalsContact CG2-CE2 3.42Å; I226-Y231 HydrophobicContact CG2-CG 4.19Å; I226-Y231 VanDerWaalsContact CG2-CZ 3.46Å; I226-L274 HydrophobicContact CD1-CD2 3.79Å; I226-P275 HydrophobicContact CD1-CG 4.23Å; I226-E279 HydrophobicContact CD1-CB 4.25Å; I226-E279 HydrophobicContact CD1-CG 4.15Å; I226-F345 HydrophobicContact CD1-CB 4.38Å; I226-F345 HydrophobicContact CD1-CD1 3.69Å; I226-F345 HydrophobicContact CD1-CE1 4.11Å; I226-F345 HydrophobicContact CD1-CG 4.03Å; I226-F345 HydrophobicContact CG1-CD1 3.92Å; I226-F345 HydrophobicContact CG1-CE1 4.38Å; I226-F345 HydrophobicContact CG2-CD1 3.79Å; I226-F345 HydrophobicContact CG2-CE1 3.41Å; I226-F345 VanDerWaalsContact CG2-CE1 3.41Å; I226-F345 HydrophobicContact CG2-CZ 4.37Å; I226-L347 HydrophobicContact CD1-CD1 4.42Å; I226-L347 HydrophobicContact CG1-CD1 3.86Å
227S85.8Confident82.1Confident41 Ų4160.3 Ų60.329%0.28732%0.324SS..  trans-68.1151177.273.70000112L225 K229 M230 Y231L225-S227 PolarHBondContact O-N 2.8Å; S227-K229 PolarHBondContact O-N 2.94Å; S227-K229 VanDerWaalsContact O-N 3.14Å; S227-M230 WeakPolarHBondContact O-CB 3.22Å; S227-M230 PolarHBondContact O-N 3.05Å; S227-M230 WeakPolarHBondContact OG-CG 3.38Å; S227-M230 PolarHBondContact OG-N 3.45Å; S227-Y231 PolarHBondContact O-N 3.23Å
228P85.6Confident83Confident98 Ų9852.3 Ų52.364%0.63629%0.287SS*.Hα-helixtrans-50.6-38.5174.7-29.636.3000113.7M230 Y231 D232P228-M230 VanDerWaalsContact C-N 3.3Å; P228-M230 PolarHBondContact O-N 2.93Å; P228-Y231 WeakPolarHBondContact O-CB 3.37Å; P228-Y231 PolarHBondContact O-N 2.92Å; P228-D232 PolarHBondContact O-N 3.44Å; P228-D232 VanDerWaalsContact O-N 3.12Å
229K86.1Confident83.9Confident116 Ų11651 Ų5150%0.50427%0.273SS..Hα-helixtrans-63.4-32.4178.3-62.4-179.6-178.6175.50113S227 D232 L233S227-K229 PolarHBondContact O-N 2.94Å; S227-K229 VanDerWaalsContact O-N 3.14Å; K229-D232 PolarHBondContact O-N 3.35Å; K229-L233 PolarHBondContact O-N 2.91Å
230M87.4Confident84.6Confident19 Ų1950.7 Ų50.79%0.09427%0.272CS..Hα-helixtrans-72-34.5176.7-69174.984.900112I216 I226 S227 P228 L233 A234 F345 L390I216-M230 HydrophobicContact CG2-CG 4.35Å; I226-M230 HydrophobicContact CG2-CB 3.96Å; S227-M230 WeakPolarHBondContact O-CB 3.22Å; S227-M230 PolarHBondContact O-N 3.05Å; S227-M230 WeakPolarHBondContact OG-CG 3.38Å; S227-M230 PolarHBondContact OG-N 3.45Å; P228-M230 VanDerWaalsContact C-N 3.3Å; P228-M230 PolarHBondContact O-N 2.93Å; M230-L233 PolarHBondContact O-N 3.05Å; M230-A234 PolarHBondContact O-N 3.39Å; M230-F345 HydrophobicContact CB-CE1 4Å; M230-F345 HydrophobicContact CE-CD1 4.19Å; M230-L390 HydrophobicContact CE-CB 3.92Å; M230-L390 WeakPolarHBondContact CE-O 3.3Å
231Y89.9Confident85.2Confident21 Ų2145.4 Ų45.48%0.08225%0.247CC..Hα-helixtrans-63-44.5170.5-68.8-69.4000110.8I226 S227 P228 L233 A234 I235 L274 E279 C282 M283I226-Y231 HydrophobicContact CB-CE2 3.83Å; I226-Y231 HydrophobicContact CD1-CE1 4.43Å; I226-Y231 HydrophobicContact CG2-CD1 4.22Å; I226-Y231 HydrophobicContact CG2-CD2 3.79Å; I226-Y231 HydrophobicContact CG2-CE1 3.87Å; I226-Y231 HydrophobicContact CG2-CE2 3.42Å; I226-Y231 VanDerWaalsContact CG2-CE2 3.42Å; I226-Y231 HydrophobicContact CG2-CG 4.19Å; I226-Y231 VanDerWaalsContact CG2-CZ 3.46Å; S227-Y231 PolarHBondContact O-N 3.23Å; P228-Y231 WeakPolarHBondContact O-CB 3.37Å; P228-Y231 PolarHBondContact O-N 2.92Å; Y231-L233 VanDerWaalsContact C-N 3.34Å; Y231-L233 PolarHBondContact O-N 3.36Å; Y231-A234 PolarHBondContact O-N 2.84Å; Y231-I235 VanDerWaalsContact O-CG1 3.26Å; Y231-I235 WeakPolarHBondContact O-CG1 3.49Å; Y231-I235 PolarHBondContact O-N 3.26Å; Y231-L274 HydrophobicContact CE1-CD2 4.22Å; Y231-E279 WeakPolarHBondContact OH-CB 3.37Å; Y231-C282 HydrophobicContact CE1-CB 4.41Å; Y231-C282 HydrophobicContact CE2-CB 4.44Å; Y231-M283 HydrophobicContact CD1-CB 4.16Å; Y231-M283 HydrophobicContact CD1-SD 3.82Å; Y231-M283 HydrophobicContact CE1-CB 4.15Å
232D88.1Confident85.3Confident68 Ų6845.5 Ų45.536%0.36425%0.246SC..Hα-helixtrans-60.6-42.2177.1-66.8-30.6000111.9Y212 P228 K229 I235 S236Y212-D232 HydrophobicContact CE2-CB 4.36Å; Y212-D232 WeakPolarHBondContact OH-CB 3.31Å; P228-D232 PolarHBondContact O-N 3.44Å; P228-D232 VanDerWaalsContact O-N 3.12Å; K229-D232 PolarHBondContact O-N 3.35Å; D232-I235 WeakPolarHBondContact O-CB 3.25Å; D232-I235 PolarHBondContact O-N 3.04Å; D232-S236 PolarHBondContact O-N 3.32Å; D232-S236 PolarHBondContact O-OG 3.17Å
233L89Confident85.2Confident3 Ų345.3 Ų45.32%0.01624%0.24CC..Hα-helixtrans-59.6-47174176.165.7000112.1L205 L208 Y212 I216 K229 M230 Y231 I235 S236 L237 L390L205-L233 HydrophobicContact CD1-CD2 3.52Å; L208-L233 HydrophobicContact CD1-CD2 4.31Å; Y212-L233 HydrophobicContact CD2-CD1 4.42Å; Y212-L233 HydrophobicContact CG-CD1 4.05Å; I216-L233 HydrophobicContact CD1-CB 3.97Å; I216-L233 HydrophobicContact CD1-CD2 3.68Å; I216-L233 HydrophobicContact CD1-CG 4.31Å; K229-L233 PolarHBondContact O-N 2.91Å; M230-L233 PolarHBondContact O-N 3.05Å; Y231-L233 VanDerWaalsContact C-N 3.34Å; Y231-L233 PolarHBondContact O-N 3.36Å; L233-I235 PolarHBondContact O-N 2.95Å; L233-S236 PolarHBondContact O-N 3.46Å; L233-L237 PolarHBondContact O-N 3.37Å; L233-L390 HydrophobicContact CD2-CD2 3.95Å
234A90.7Very high85.1Confident0 Ų044.4 Ų44.40%023%0.234CC..Hα-helixtrans-60.7-35.9178.300000111.7M230 Y231 L237 I238 M283 I343 F345 L390M230-A234 PolarHBondContact O-N 3.39Å; Y231-A234 PolarHBondContact O-N 2.84Å; A234-L237 PolarHBondContact O-N 3.27Å; A234-I238 VanDerWaalsContact O-CG1 3.3Å; A234-I238 WeakPolarHBondContact O-CG1 3.34Å; A234-I238 PolarHBondContact O-N 3.2Å; A234-I238 VanDerWaalsContact O-N 3.12Å; A234-M283 HydrophobicContact CB-CE 3.81Å; A234-I343 HydrophobicContact CB-CG2 4.36Å; A234-F345 HydrophobicContact CB-CE2 4.32Å; A234-F345 HydrophobicContact CB-CZ 3.95Å; A234-L390 HydrophobicContact CB-CD1 4.44Å
235I89.1Confident84.8Confident15 Ų1543 Ų438%0.07723%0.226CC..Hα-helixtrans-67.4-46.4174.7-67.2166.2000111Y231 D232 L233 L237 I238 Q239 M283 S286 L287 L290Y231-I235 VanDerWaalsContact O-CG1 3.26Å; Y231-I235 WeakPolarHBondContact O-CG1 3.49Å; Y231-I235 PolarHBondContact O-N 3.26Å; D232-I235 WeakPolarHBondContact O-CB 3.25Å; D232-I235 PolarHBondContact O-N 3.04Å; L233-I235 PolarHBondContact O-N 2.95Å; I235-L237 VanDerWaalsContact C-N 3.27Å; I235-L237 PolarHBondContact O-N 3.48Å; I235-I238 PolarHBondContact O-N 2.94Å; I235-I238 VanDerWaalsContact O-N 3.17Å; I235-Q239 WeakPolarHBondContact O-CG 3.42Å; I235-Q239 PolarHBondContact O-N 3.46Å; I235-M283 HydrophobicContact CG1-CE 3.9Å; I235-M283 HydrophobicContact CG1-SD 4.31Å; I235-S286 VanDerWaalsContact CD1-CB 3.48Å; I235-L287 HydrophobicContact CG1-CD2 4.07Å; I235-L290 HydrophobicContact CG2-CD1 3.45Å; I235-L290 VanDerWaalsContact CG2-CD1 3.45Å; I235-L290 HydrophobicContact CG2-CG 4.37Å
236S87.8Confident83.9Confident35 Ų3538.9 Ų38.925%0.24522%0.215CC..Hα-helixtrans-58.7-38.6175.6-63.60000112.2D232 L233 Q239 S240D232-S236 PolarHBondContact O-N 3.32Å; D232-S236 PolarHBondContact O-OG 3.17Å; L233-S236 PolarHBondContact O-N 3.46Å; S236-Q239 PolarHBondContact O-N 3.31Å; S236-S240 PolarHBondContact O-N 2.93Å
237L89.6Confident82.4Confident2 Ų244.7 Ų44.71%0.0124%0.239CC..Hα-helixtrans-59.9-51.9172.9-76172.3000111.6L208 L211 L233 A234 I235 Q239 S240 F241 I343 Y388 L390L208-L237 HydrophobicContact CD1-CD1 4.02Å; L208-L237 HydrophobicContact CD1-CD2 4.4Å; L208-L237 HydrophobicContact CD2-CD2 3.92Å; L211-L237 HydrophobicContact CD1-CD2 3.99Å; L233-L237 PolarHBondContact O-N 3.37Å; A234-L237 PolarHBondContact O-N 3.27Å; I235-L237 VanDerWaalsContact C-N 3.27Å; I235-L237 PolarHBondContact O-N 3.48Å; L237-Q239 PolarHBondContact O-N 3.46Å; L237-S240 PolarHBondContact O-N 3.47Å; L237-S240 VanDerWaalsContact O-N 3.07Å; L237-S240 PolarHBondContact O-OG 3.18Å; L237-F241 HydrophobicContact CB-CE1 4.21Å; L237-F241 HydrophobicContact CB-CZ 3.95Å; L237-F241 HydrophobicContact CD2-CE1 4.38Å; L237-F241 WeakPolarHBondContact O-CD1 3.34Å; L237-F241 WeakPolarHBondContact O-CE1 3.3Å; L237-F241 VanDerWaalsContact O-CG 3.26Å; L237-F241 WeakPolarHBondContact O-CG 3.31Å; L237-F241 PolarHBondContact O-N 2.97Å; L237-F241 VanDerWaalsContact O-N 3.12Å; L237-I343 HydrophobicContact CB-CD1 4.18Å; L237-I343 HydrophobicContact CD1-CD1 4.39Å; L237-Y388 HydrophobicContact CD1-CD1 4.31Å; L237-Y388 HydrophobicContact CD1-CG 4.3Å; L237-Y388 HydrophobicContact CD2-CD1 3.99Å; L237-Y388 HydrophobicContact CD2-CE1 4.04Å; L237-L390 HydrophobicContact CD1-CD2 4.26Å
238I89.5Confident80.8Confident0 Ų047.9 Ų47.90%025%0.253CS..Hα-helixtrans-56.4-38.1179.6-68.8164.8000111.4A234 I235 V270 V272 M283 L287 L295 V323 I343A234-I238 VanDerWaalsContact O-CG1 3.3Å; A234-I238 WeakPolarHBondContact O-CG1 3.34Å; A234-I238 PolarHBondContact O-N 3.2Å; A234-I238 VanDerWaalsContact O-N 3.12Å; I235-I238 PolarHBondContact O-N 2.94Å; I235-I238 VanDerWaalsContact O-N 3.17Å; I238-V270 HydrophobicContact CG1-CG1 4.22Å; I238-V272 HydrophobicContact CD1-CG2 4.48Å; I238-M283 HydrophobicContact CD1-CE 3.74Å; I238-L287 HydrophobicContact CD1-CD2 4.01Å; I238-L295 HydrophobicContact CG2-CD2 4.3Å; I238-V323 HydrophobicContact CD1-CG1 4.19Å; I238-V323 HydrophobicContact CG2-CG2 4.21Å; I238-I343 HydrophobicContact CD1-CD1 4.31Å; I238-I343 HydrophobicContact CG1-CD1 3.85Å
239Q85.8Confident79Confident58 Ų5851 Ų5127%0.27126%0.257SS..Hα-helixtrans-67.1-47.2176.1-69.1177.1-28.900111.9I235 S236 L237 F241 N242 L290I235-Q239 WeakPolarHBondContact O-CG 3.42Å; I235-Q239 PolarHBondContact O-N 3.46Å; S236-Q239 PolarHBondContact O-N 3.31Å; L237-Q239 PolarHBondContact O-N 3.46Å; Q239-F241 PolarHBondContact O-N 3.35Å; Q239-N242 PolarHBondContact O-N 2.92Å; Q239-L290 HydrophobicContact CG-CD1 4.14Å; Q239-L290 VanDerWaalsContact NE2-CD1 3.34Å
240S84.6Confident77.1Confident17 Ų1756 Ų5612%0.11927%0.273CS..Hα-helixtrans-61.7-28.5-178.775.90000113.4S236 L237 N242 E243 M244S236-S240 PolarHBondContact O-N 2.93Å; L237-S240 PolarHBondContact O-N 3.47Å; L237-S240 VanDerWaalsContact O-N 3.07Å; L237-S240 PolarHBondContact O-OG 3.18Å; S240-N242 PolarHBondContact O-N 3.02Å; S240-E243 PolarHBondContact O-N 2.87Å; S240-M244 PolarHBondContact O-N 2.92Å
241F87.2Confident75.1Confident0 Ų061.7 Ų61.70%030%0.304CS..Hα-helixtrans-61.7-29.8179.6-60.6-18.3000112.8L237 Q239 M244 E245 V270 R321 Y341 I343 Y388L237-F241 HydrophobicContact CB-CE1 4.21Å; L237-F241 HydrophobicContact CB-CZ 3.95Å; L237-F241 HydrophobicContact CD2-CE1 4.38Å; L237-F241 WeakPolarHBondContact O-CD1 3.34Å; L237-F241 WeakPolarHBondContact O-CE1 3.3Å; L237-F241 VanDerWaalsContact O-CG 3.26Å; L237-F241 WeakPolarHBondContact O-CG 3.31Å; L237-F241 PolarHBondContact O-N 2.97Å; L237-F241 VanDerWaalsContact O-N 3.12Å; Q239-F241 PolarHBondContact O-N 3.35Å; F241-M244 HydrophobicContact CD1-CE 3.37Å; F241-M244 HydrophobicContact CE1-CE 3.87Å; F241-E245 WeakPolarHBondContact O-CG 3.23Å; F241-E245 PolarHBondContact O-N 3.34Å; F241-V270 HydrophobicContact CD2-CG2 3.77Å; F241-V270 HydrophobicContact CE2-CG1 4.12Å; F241-V270 HydrophobicContact CE2-CG2 4.11Å; F241-R321 PolarHBondContact O-NH2 3.42Å; F241-Y341 HydrophobicContact CB-CE1 4.43Å; F241-Y341 HydrophobicContact CB-CE2 4.35Å; F241-Y341 AromaticContact CD1-CD1 3.98Å; F241-Y341 HydrophobicContact CD1-CD1 3.98Å; F241-Y341 HydrophobicContact CD1-CE1 4.06Å; F241-Y341 AromaticContact CD2-CD1 3.94Å; F241-Y341 HydrophobicContact CD2-CD1 3.94Å; F241-Y341 HydrophobicContact CD2-CD2 4.03Å; F241-Y341 HydrophobicContact CD2-CE1 4.48Å; F241-Y341 AromaticContact CD2-CG 3.7Å; F241-Y341 HydrophobicContact CD2-CG 3.7Å; F241-Y341 AromaticContact CE1-CD1 3.98Å; F241-Y341 HydrophobicContact CE1-CD1 3.98Å; F241-Y341 HydrophobicContact CE1-CE1 4.42Å; F241-Y341 AromaticContact CE2-CD1 3.95Å; F241-Y341 HydrophobicContact CE2-CD1 3.95Å; F241-Y341 AromaticContact CE2-CG 3.77Å; F241-Y341 HydrophobicContact CE2-CG 3.77Å; F241-Y341 AromaticContact CG-CD1 3.96Å; F241-Y341 HydrophobicContact CG-CD1 3.96Å; F241-Y341 HydrophobicContact CG-CD2 4.39Å; F241-Y341 HydrophobicContact CG-CE1 4.08Å; F241-Y341 HydrophobicContact CG-CE2 4.5Å; F241-Y341 HydrophobicContact CG-CG 4.13Å; F241-Y341 AromaticContact CZ-CD1 3.97Å; F241-Y341 HydrophobicContact CZ-CD1 3.97Å; F241-Y341 HydrophobicContact CZ-CG 4.23Å; F241-I343 HydrophobicContact CE2-CD1 4.18Å; F241-I343 HydrophobicContact CZ-CD1 4.37Å; F241-I343 HydrophobicContact CZ-CG1 4.49Å; F241-Y388 HydrophobicContact CE1-CD2 4.24Å; F241-Y388 HydrophobicContact CE1-CE1 4.36Å; F241-Y388 AromaticContact CE1-CE2 3.5Å; F241-Y388 HydrophobicContact CE1-CE2 3.5Å; F241-Y388 VanDerWaalsContact CE1-CE2 3.5Å; F241-Y388 AromaticContact CE1-CZ 3.57Å; F241-Y388 AromaticContact CZ-CD2 3.77Å; F241-Y388 HydrophobicContact CZ-CD2 3.77Å; F241-Y388 AromaticContact CZ-CE2 3.44Å; F241-Y388 HydrophobicContact CZ-CE2 3.44Å; F241-Y388 VanDerWaalsContact CZ-CE2 3.44Å; F241-Y388 AromaticContact CZ-CZ 3.98Å
242N77.4Confident73Confident44 Ų4465.4 Ų65.424%0.23533%0.328CS..Hα-helixtrans-68.9-36.7175.1-65.2-41.7000112Q239 S240 G246 R267 R321Q239-N242 PolarHBondContact O-N 2.92Å; S240-N242 PolarHBondContact O-N 3.02Å; N242-G246 PolarHBondContact O-N 2.93Å; N242-R267 PolarHBondContact OD1-NH1 2.87Å; N242-R321 PolarHBondContact OD1-NE 3.33Å; N242-R321 PolarHBondContact OD1-NH2 2.85Å
243E72.8Confident70.8Confident132 Ų13266.8 Ų66.862%0.61734%0.341SS*.Hα-helixtrans-74.6-39178.5-62.3-178.8-175.700111.9S240 G246 K247S240-E243 PolarHBondContact O-N 2.87Å; E243-G246 PolarHBondContact O-N 2.86Å; E243-K247 WeakPolarHBondContact O-CG 3.44Å; E243-K247 PolarHBondContact O-N 3.04Å; E243-K247 VanDerWaalsContact O-N 3.15Å
244M73.4Confident68.6Low72 Ų7272.5 Ų72.536%0.35538%0.381SS..Hα-helixtrans-62.6-45.9177.2-73.8-164.6-74.200111.4S240 F241 G246 K247 D248S240-M244 PolarHBondContact O-N 2.92Å; F241-M244 HydrophobicContact CD1-CE 3.37Å; F241-M244 HydrophobicContact CE1-CE 3.87Å; M244-G246 VanDerWaalsContact C-N 3.31Å; M244-G246 PolarHBondContact O-N 3.3Å; M244-K247 PolarHBondContact O-N 2.9Å; M244-D248 PolarHBondContact O-N 3.19Å
245E74.4Confident66.1Low19 Ų1977.6 Ų77.69%0.08942%0.416CS..Hα-helixtrans-66.3-33.6176-70.2-174.8161.700112.2F241 K247 F249 R321 K340 Y341F241-E245 WeakPolarHBondContact O-CG 3.23Å; F241-E245 PolarHBondContact O-N 3.34Å; E245-K247 VanDerWaalsContact C-N 3.31Å; E245-K247 PolarHBondContact O-N 3.09Å; E245-F249 WeakPolarHBondContact O-CD2 3.4Å; E245-R321 IonicContact OE1-NH2 3.53Å; E245-R321 IonicContact OE2-CZ 3.05Å; E245-R321 IonicContact OE2-NH2 3.86Å; E245-R321 PolarHBondContact OE2-NH2 3.33Å; E245-K340 WeakPolarHBondContact OE1-CD 3.42Å; E245-K340 IonicContact OE1-NZ 3.42Å; E245-K340 PolarHBondContact OE1-NZ 3.32Å; E245-Y341 WeakPolarHBondContact CG-OH 3.29Å; E245-Y341 VanDerWaalsContact OE1-CE2 3.24Å; E245-Y341 WeakPolarHBondContact OE1-CE2 3.07Å; E245-Y341 PolarHBondContact OE1-OH 2.69Å
246G62.3Low63.7Low42 Ų4286.1 Ų86.143%0.43345%0.453SS..Hα-helixtrans-67.1-24.7175.800000114.9N242 E243 M244N242-G246 PolarHBondContact O-N 2.93Å; E243-G246 PolarHBondContact O-N 2.86Å; M244-G246 VanDerWaalsContact C-N 3.31Å; M244-G246 PolarHBondContact O-N 3.3Å
247K53.5Low61.4Low137 Ų13790.7 Ų90.760%0.59648%0.479SS*.Hα-helixtrans-81.9-36.2178.8-75176.1-177.4172.80112.9E243 M244 E245 F249 R250E243-K247 WeakPolarHBondContact O-CG 3.44Å; E243-K247 PolarHBondContact O-N 3.04Å; E243-K247 VanDerWaalsContact O-N 3.15Å; M244-K247 PolarHBondContact O-N 2.9Å; E245-K247 VanDerWaalsContact C-N 3.31Å; E245-K247 PolarHBondContact O-N 3.09Å; K247-F249 VanDerWaalsContact C-N 3.26Å; K247-F249 PolarHBondContact O-N 3.45Å; K247-R250 PolarHBondContact O-N 3.34Å
248D52.1Low59.1Low107 Ų10799.6 Ų99.657%0.57252%0.521SS*.Hα-helixtrans-62.8-31.2178.7-77-21.6000112.6M244 R250M244-D248 PolarHBondContact O-N 3.19Å; D248-R250 PolarHBondContact O-N 3.24Å
249F47.8Very low56.7Low163 Ų163109.3 Ų109.372%0.71557%0.566SS**G310 helixtrans-73.5-19.3177.2-72.9-73.5000114.7E245 K247E245-F249 WeakPolarHBondContact O-CD2 3.4Å; K247-F249 VanDerWaalsContact C-N 3.26Å; K247-F249 PolarHBondContact O-N 3.45Å
250R46.2Very low54.2Low223 Ų223110 Ų11084%0.84259%0.588SS**G310 helixtrans-82.1-15.3177.5-75.8-172.3-179.6-169.20.2113.6K247 D248K247-R250 PolarHBondContact O-N 3.34Å; D248-R250 PolarHBondContact O-N 3.24Å
251N45.4Very low52Low138 Ų138113.1 Ų113.174%0.73862%0.623SS**G310 helixtrans-98.57.4-175.6-71.8-18.3000113.8P253N251-P253 WeakPolarHBondContact O-CD 3.39Å
252V46.5Very low49.4Very low99 Ų99119.6 Ų119.660%0.666%0.663SS**SBendtrans-84.3119.1172.9-175.70000108.8S254V252-S254 PolarHBondContact O-N 3.1Å
253P41.4Very low47.5Very low97 Ų97122.5 Ų122.563%0.6368%0.684SS**  trans-63.2135.5178.623.2-30.4000110.7N251 S255N251-P253 WeakPolarHBondContact O-CD 3.39Å; P253-S255 PolarHBondContact O-N 3.41Å
254S42.2Very low46.1Very low123 Ų123123.6 Ų123.686%0.8669%0.693SS**SBendtrans-63.616.1-169.3-30.30000116.5V252V252-S254 PolarHBondContact O-N 3.1Å
255S39.3Very low44.9Very low106 Ų106122.4 Ų122.474%0.74169%0.692SS**SBendtrans-107.815.1-169.767.30000115P253P253-S255 PolarHBondContact O-N 3.41Å
256K37.7Very low44.2Very low195 Ų195130.5 Ų130.585%0.84873%0.73SS**SBendtrans-137.144.5173.2-75.5-166.1174.9-175.70112.9
257V41.2Very low44.8Very low130 Ų130132.4 Ų132.479%0.78872%0.724SS**  trans-124.364.4171.6-168.20000109
258E40.4Very low46.2Very low189 Ų189126.4 Ų126.488%0.88370%0.701SS**SBendtrans-133.9131.2155.5-76.6-167.7158.500108.8
259E39.7Very low48.1Very low205 Ų205121.3 Ų121.396%0.95867%0.674SS**SBendtrans67.388.3171.2-60.6-170.6159.300118.4
260G33.2Very low50.3Low71 Ų71113.5 Ų113.573%0.73264%0.64SS**  trans140.986.9163.100000112.2T262G260-T262 PolarHBondContact O-N 2.83Å; G260-T262 VanDerWaalsContact O-N 3.12Å
261G37.3Very low52.5Low83 Ų83103.1 Ų103.186%0.85660%0.601SS**  trans-56.8115.2-176.200000113.4
262T32.4Very low54.9Low136 Ų13696.5 Ų96.583%0.83457%0.565SS**  trans-103.9111.9152.125.80000107.4G260G260-T262 PolarHBondContact O-N 2.83Å; G260-T262 VanDerWaalsContact O-N 3.12Å
263P38.6Very low57.3Low106 Ų10691.9 Ų91.969%0.68854%0.537SS*.  trans-71.4154.4-176.728.8-31.9000110.6S265P263-S265 PolarHBondContact O-N 3.39Å
264L43.5Very low59.8Low154 Ų15487.4 Ų87.481%0.80651%0.508SS*.SBendtrans-56.531172.9-76.2124.1000115.6W319L264-W319 HydrophobicContact CB-CH2 3.7Å; L264-W319 HydrophobicContact CB-CZ3 4.16Å
265S47.6Very low62.1Low47 Ų4782 Ų8233%0.32947%0.47SS..  trans-106.5-13.1-150.4-161.80000117.8P263P263-S265 PolarHBondContact O-N 3.39Å
266E59.2Low64.4Low189 Ų18977.2 Ų77.288%0.88344%0.437SS*.  trans-118.897.4-172.9-70.7-174169.200112.9
267R75.8Confident66.6Low83 Ų8370.2 Ų70.231%0.31341%0.409SS..PPolyproline II helixtrans-77.5137.6167.9-67.1-177.2177.4-160.7-0.6109.3N242N242-R267 PolarHBondContact OD1-NH1 2.87Å
268G83.9Confident68.6Low10 Ų1069.7 Ų69.710%0.10340%0.397CS..PPolyproline II helixtrans-66.2137178.100000112.7R321G268-R321 PolarHBondContact O-NH1 3.38Å
269S90.9Very high71.1Confident0 Ų061.5 Ų61.50%036%0.359CS..EExtended strand (participates in β ladder)trans-79.2149.8-178.5-62.40000112.1K322 D338 K340 Y341S269-K322 WeakPolarHBondContact OG-CB 3.31Å; S269-D338 VanDerWaalsContact CB-O 3.25Å; S269-D338 WeakPolarHBondContact CB-O 3.43Å; S269-D338 WeakPolarHBondContact CB-OD2 3.16Å; S269-D338 PolarHBondContact N-O 2.99Å; S269-D338 PolarHBondContact OG-OD2 2.74Å; S269-K340 PolarHBondContact O-N 3.15Å; S269-Y341 PolarHBondContact O-N 2.72Å; S269-Y341 VanDerWaalsContact O-N 3.16Å
270V93.2Very high73.5Confident0 Ų051.8 Ų51.80%031%0.313CS..EExtended strand (participates in β ladder)trans-107.7129.7-180-1720000109.8I238 F241 V272 R321 K322 V323 I324 Y341 I343I238-V270 HydrophobicContact CG1-CG1 4.22Å; F241-V270 HydrophobicContact CD2-CG2 3.77Å; F241-V270 HydrophobicContact CE2-CG1 4.12Å; F241-V270 HydrophobicContact CE2-CG2 4.11Å; V270-V272 HydrophobicContact CG1-CG2 4.11Å; V270-R321 HydrophobicContact CG2-CG 4.28Å; V270-K322 PolarHBondContact N-O 3.11Å; V270-V323 HydrophobicContact CB-CG2 4.44Å; V270-V323 CarbonylContact O-C 3.51Å; V270-V323 WeakPolarHBondContact O-CA 3.26Å; V270-I324 PolarHBondContact O-N 3.13Å; V270-Y341 CarbonylContact C-O 3.57Å; V270-Y341 WeakPolarHBondContact CA-O 3.29Å; V270-Y341 HydrophobicContact CG2-CD2 4.22Å; V270-I343 HydrophobicContact CG1-CD1 4.09Å; V270-I343 HydrophobicContact CG1-CG1 4.32Å
271L94.3Very high75.9Confident4 Ų454.6 Ų54.62%0.02130%0.302CS..EExtended strand (participates in β ladder)trans-113.5121.1173.5178.661.1000109.7F273 I324 A330 V339 Y341 V342 I343 R378L271-F273 HydrophobicContact CD2-CE2 3.63Å; L271-F273 HydrophobicContact CD2-CZ 3.74Å; L271-F273 HydrophobicContact CG-CD2 4.39Å; L271-F273 HydrophobicContact CG-CE2 3.88Å; L271-F273 HydrophobicContact CG-CZ 4.25Å; L271-I324 HydrophobicContact CD1-CB 3.82Å; L271-I324 HydrophobicContact CD1-CG2 3.7Å; L271-A330 HydrophobicContact CD1-CB 3.99Å; L271-A330 HydrophobicContact CD2-CB 4.04Å; L271-V339 HydrophobicContact CB-CG1 3.77Å; L271-V339 HydrophobicContact CB-CG2 4.31Å; L271-V339 HydrophobicContact CD2-CG1 4.47Å; L271-Y341 PolarHBondContact N-O 3.1Å; L271-V342 HydrophobicContact CB-CG2 4.35Å; L271-V342 CarbonylContact O-C 3.39Å; L271-V342 VanDerWaalsContact O-CA 3.31Å; L271-V342 WeakPolarHBondContact O-CA 3.41Å; L271-I343 PolarHBondContact O-N 2.77Å; L271-R378 HydrophobicContact CD2-CB 3.99Å; L271-R378 HydrophobicContact CD2-CG 4.22Å
272V95.8Very high78.3Confident0 Ų052 Ų520%027%0.271CS..EExtended strand (participates in β ladder)trans-110.9122.1-179.3-170.80000109.2I238 V270 L274 V323 I324 L325 S326 I343 F345I238-V272 HydrophobicContact CD1-CG2 4.48Å; V270-V272 HydrophobicContact CG1-CG2 4.11Å; V272-L274 HydrophobicContact CG1-CD1 4.37Å; V272-L274 HydrophobicContact CG1-CG 4.14Å; V272-V323 HydrophobicContact CG2-CG1 4.3Å; V272-I324 PolarHBondContact N-O 2.83Å; V272-L325 HydrophobicContact CB-CD2 3.8Å; V272-L325 HydrophobicContact CG1-CD2 4.41Å; V272-L325 HydrophobicContact CG2-CD2 3.83Å; V272-S326 PolarHBondContact O-N 2.85Å; V272-I343 CarbonylContact C-O 3.44Å; V272-I343 WeakPolarHBondContact CA-O 3.43Å; V272-I343 HydrophobicContact CG1-CB 4.25Å; V272-I343 HydrophobicContact CG1-CG2 4.35Å; V272-I343 HydrophobicContact CG2-CB 4.31Å; V272-I343 HydrophobicContact CG2-CD1 4.36Å; V272-F345 HydrophobicContact CG1-CD2 4.3Å; V272-F345 HydrophobicContact CG1-CE2 3.85Å
273F95.6Very high81.1Confident2 Ų245.6 Ų45.61%0.00923%0.231CC..EExtended strand (participates in β ladder)trans-91.9115.5175.8-76.8-82.3000111.3L271 S326 T327 A330 E331 V342 I343 F345 R375L271-F273 HydrophobicContact CD2-CE2 3.63Å; L271-F273 HydrophobicContact CD2-CZ 3.74Å; L271-F273 HydrophobicContact CG-CD2 4.39Å; L271-F273 HydrophobicContact CG-CE2 3.88Å; L271-F273 HydrophobicContact CG-CZ 4.25Å; F273-S326 CarbonylContact C-O 3.59Å; F273-S326 WeakPolarHBondContact CA-O 3.31Å; F273-T327 WeakPolarHBondContact CD1-O 3.41Å; F273-T327 WeakPolarHBondContact CE1-O 3.38Å; F273-A330 HydrophobicContact CE1-CB 3.98Å; F273-A330 HydrophobicContact CZ-CB 4.01Å; F273-E331 HydrophobicContact CE1-CB 4.33Å; F273-V342 HydrophobicContact CD2-CG1 3.99Å; F273-V342 HydrophobicContact CE2-CG1 4.06Å; F273-I343 PolarHBondContact N-O 3.45Å; F273-F345 WeakPolarHBondContact O-CD2 3.43Å; F273-R375 HydrophobicContact CD1-CG 3.95Å; F273-R375 HydrophobicContact CD2-CB 3.77Å; F273-R375 HydrophobicContact CD2-CG 3.79Å; F273-R375 HydrophobicContact CE1-CG 3.77Å; F273-R375 HydrophobicContact CE2-CB 3.46Å; F273-R375 VanDerWaalsContact CE2-CB 3.46Å; F273-R375 HydrophobicContact CE2-CG 3.61Å; F273-R375 HydrophobicContact CG-CB 4.42Å; F273-R375 HydrophobicContact CG-CG 3.96Å; F273-R375 HydrophobicContact CZ-CB 3.89Å; F273-R375 HydrophobicContact CZ-CG 3.6Å
274L94.5Very high83.5Confident3 Ų343.6 Ų43.62%0.01621%0.212CC..  trans-121.4150.6178.5-67.9164.6000109.6I226 Y231 V272 G276 E279 I280 M283 L325 S326 T327 F345I226-L274 HydrophobicContact CD1-CD2 3.79Å; Y231-L274 HydrophobicContact CE1-CD2 4.22Å; V272-L274 HydrophobicContact CG1-CD1 4.37Å; V272-L274 HydrophobicContact CG1-CG 4.14Å; L274-G276 PolarHBondContact O-N 3.4Å; L274-E279 HydrophobicContact CB-CB 4.29Å; L274-E279 HydrophobicContact CD2-CB 4.33Å; L274-I280 HydrophobicContact CB-CG1 4.04Å; L274-I280 HydrophobicContact CD1-CB 4.45Å; L274-I280 HydrophobicContact CD1-CG1 3.93Å; L274-M283 HydrophobicContact CD1-CB 3.77Å; L274-M283 HydrophobicContact CD1-CG 4.18Å; L274-L325 HydrophobicContact CD1-CB 4.38Å; L274-S326 PolarHBondContact N-O 3.39Å; L274-T327 WeakPolarHBondContact O-CA 3.24Å; L274-T327 WeakPolarHBondContact O-CG2 3.46Å; L274-F345 HydrophobicContact CD2-CD2 3.72Å; L274-F345 HydrophobicContact CD2-CE2 3.68Å; L274-F345 HydrophobicContact CD2-CG 4.28Å; L274-F345 HydrophobicContact CD2-CZ 4.2Å
275P90.5Very high85.6Confident9 Ų942.5 Ų42.56%0.05820%0.203CC..SBendtrans-76-21.6-171.727-34000114.7I226 E279 L347 R349 L364I226-P275 HydrophobicContact CD1-CG 4.23Å; P275-E279 HydrophobicContact CG-CB 4.27Å; P275-E279 HydrophobicContact CG-CG 3.77Å; P275-L347 HydrophobicContact CB-CB 3.99Å; P275-L347 HydrophobicContact CG-CB 4.15Å; P275-L347 HydrophobicContact CG-CD1 4.49Å; P275-R349 HydrophobicContact CB-CG 4.35Å; P275-R349 WeakPolarHBondContact O-CD 3.35Å; P275-R349 WeakPolarHBondContact O-CG 3.28Å; P275-L364 HydrophobicContact CB-CD1 3.26Å; P275-L364 HydrophobicContact CG-CD1 3.77Å
276G88.1Confident87.4Confident5 Ų541.3 Ų41.35%0.05220%0.195CC..SBendtrans-164.3179-175.400000114.9L274 H278 E279 I280L274-G276 PolarHBondContact O-N 3.4Å; G276-H278 VanDerWaalsContact C-N 3.32Å; G276-H278 PolarHBondContact O-N 3.01Å; G276-E279 WeakPolarHBondContact CA-OE2 3.48Å; G276-E279 PolarHBondContact N-OE2 2.57Å; G276-E279 VanDerWaalsContact N-OE2 3.17Å; G276-E279 PolarHBondContact O-N 2.89Å; G276-I280 VanDerWaalsContact O-CG1 3.3Å; G276-I280 WeakPolarHBondContact O-CG1 3.35Å; G276-I280 PolarHBondContact O-N 3.38Å
277I83.2Confident88.7Confident49 Ų4932.6 Ų32.625%0.25116%0.155SC..Hα-helixtrans-68-30.6-176.8-168.458.6000113.1I280 R281 H301I277-I280 HydrophobicContact CD1-CB 4.49Å; I277-I280 HydrophobicContact CD1-CG2 4.44Å; I277-R281 WeakPolarHBondContact O-CG 2.87Å; I277-R281 PolarHBondContact O-N 3.15Å; I277-H301 HydrophobicContact CD1-CB 3.96Å
278H84Confident89.1Confident119 Ų11931.8 Ų31.855%0.55117%0.165SC*.Hα-helixtrans-64.8-49177.4177.366.2000109.8G276 I280 R281 C282G276-H278 VanDerWaalsContact C-N 3.32Å; G276-H278 PolarHBondContact O-N 3.01Å; H278-I280 VanDerWaalsContact C-N 3.33Å; H278-I280 PolarHBondContact O-N 3.14Å; H278-R281 WeakPolarHBondContact O-CB 3.45Å; H278-R281 PolarHBondContact O-N 3.25Å; H278-R281 VanDerWaalsContact O-N 3.1Å; H278-C282 PolarHBondContact O-N 2.83Å; H278-C282 PolarHBondContact O-SG 2.83Å; H278-C282 VanDerWaalsContact O-SG 3.34Å
279E91.4Very high88.9Confident17 Ų1739.3 Ų39.38%0.07920%0.195CC..Hα-helixtrans-67-35.7-179.9-58.580.3-174.600111.4I226 Y231 L274 P275 G276 C282 M283 R349I226-E279 HydrophobicContact CD1-CB 4.25Å; I226-E279 HydrophobicContact CD1-CG 4.15Å; Y231-E279 WeakPolarHBondContact OH-CB 3.37Å; L274-E279 HydrophobicContact CB-CB 4.29Å; L274-E279 HydrophobicContact CD2-CB 4.33Å; P275-E279 HydrophobicContact CG-CB 4.27Å; P275-E279 HydrophobicContact CG-CG 3.77Å; G276-E279 WeakPolarHBondContact CA-OE2 3.48Å; G276-E279 PolarHBondContact N-OE2 2.57Å; G276-E279 VanDerWaalsContact N-OE2 3.17Å; G276-E279 PolarHBondContact O-N 2.89Å; E279-C282 PolarHBondContact O-N 2.86Å; E279-M283 WeakPolarHBondContact O-CB 3.44Å; E279-M283 PolarHBondContact O-N 3.47Å; E279-R349 IonicContact OE1-NH2 2.87Å; E279-R349 PolarHBondContact OE1-NH2 2.86Å
280I89.8Confident88.1Confident0 Ų041 Ų410%020%0.204CC..Hα-helixtrans-58.1-47.1169.9-72.8168.7000110.9L274 G276 I277 H278 M283 Q284 P299 H301 L325 T327L274-I280 HydrophobicContact CB-CG1 4.04Å; L274-I280 HydrophobicContact CD1-CB 4.45Å; L274-I280 HydrophobicContact CD1-CG1 3.93Å; G276-I280 VanDerWaalsContact O-CG1 3.3Å; G276-I280 WeakPolarHBondContact O-CG1 3.35Å; G276-I280 PolarHBondContact O-N 3.38Å; I277-I280 HydrophobicContact CD1-CB 4.49Å; I277-I280 HydrophobicContact CD1-CG2 4.44Å; H278-I280 VanDerWaalsContact C-N 3.33Å; H278-I280 PolarHBondContact O-N 3.14Å; I280-M283 PolarHBondContact O-N 3.42Å; I280-Q284 WeakPolarHBondContact O-CB 3.43Å; I280-Q284 PolarHBondContact O-N 2.91Å; I280-P299 HydrophobicContact CG2-CB 3.87Å; I280-H301 HydrophobicContact CD1-CB 3.91Å; I280-L325 HydrophobicContact CG1-CB 4.36Å; I280-L325 HydrophobicContact CG2-CB 4.06Å; I280-L325 HydrophobicContact CG2-CD1 4.38Å; I280-T327 HydrophobicContact CD1-CG2 4.08Å
281R85.2Confident86.5Confident131 Ų13145 Ų4549%0.49424%0.237SC..Hα-helixtrans-64.3-44.7178.6-73.6176.9-177.6-179.21.6112I277 H278 M283 Q284 E285I277-R281 WeakPolarHBondContact O-CG 2.87Å; I277-R281 PolarHBondContact O-N 3.15Å; H278-R281 WeakPolarHBondContact O-CB 3.45Å; H278-R281 PolarHBondContact O-N 3.25Å; H278-R281 VanDerWaalsContact O-N 3.1Å; R281-M283 VanDerWaalsContact C-N 3.31Å; R281-M283 PolarHBondContact O-N 3.16Å; R281-Q284 WeakPolarHBondContact O-CB 3.02Å; R281-Q284 PolarHBondContact O-N 2.75Å; R281-Q284 VanDerWaalsContact O-N 3.11Å; R281-E285 WeakPolarHBondContact O-CG 3.23Å; R281-E285 PolarHBondContact O-N 2.81Å
282C87.6Confident84.9Confident29 Ų2953 Ų5320%0.19628%0.28CS..Hα-helixtrans-58.5-42.4176.7-66.20000112.1Y231 H278 E279 S286Y231-C282 HydrophobicContact CE1-CB 4.41Å; Y231-C282 HydrophobicContact CE2-CB 4.44Å; H278-C282 PolarHBondContact O-N 2.83Å; H278-C282 PolarHBondContact O-SG 2.83Å; H278-C282 VanDerWaalsContact O-SG 3.34Å; E279-C282 PolarHBondContact O-N 2.86Å; C282-S286 WeakPolarHBondContact O-CB 2.95Å; C282-S286 PolarHBondContact O-N 3.42Å; C282-S286 PolarHBondContact O-OG 2.87Å
283M91.3Very high83.5Confident0 Ų056.3 Ų56.30%030%0.295CS..Hα-helixtrans-67.2-39.7175.1-173.562.6178.800111.7Y231 A234 I235 I238 L274 E279 I280 R281 S286 L287 L325Y231-M283 HydrophobicContact CD1-CB 4.16Å; Y231-M283 HydrophobicContact CD1-SD 3.82Å; Y231-M283 HydrophobicContact CE1-CB 4.15Å; A234-M283 HydrophobicContact CB-CE 3.81Å; I235-M283 HydrophobicContact CG1-CE 3.9Å; I235-M283 HydrophobicContact CG1-SD 4.31Å; I238-M283 HydrophobicContact CD1-CE 3.74Å; L274-M283 HydrophobicContact CD1-CB 3.77Å; L274-M283 HydrophobicContact CD1-CG 4.18Å; E279-M283 WeakPolarHBondContact O-CB 3.44Å; E279-M283 PolarHBondContact O-N 3.47Å; I280-M283 PolarHBondContact O-N 3.42Å; R281-M283 VanDerWaalsContact C-N 3.31Å; R281-M283 PolarHBondContact O-N 3.16Å; M283-S286 PolarHBondContact O-N 3.26Å; M283-L287 HydrophobicContact CE-CD1 4.09Å; M283-L287 HydrophobicContact CE-CD2 4.23Å; M283-L287 HydrophobicContact CE-CG 4.09Å; M283-L287 HydrophobicContact CG-CD1 4.09Å; M283-L287 HydrophobicContact CG-CG 4.48Å; M283-L287 WeakPolarHBondContact O-CB 3.47Å; M283-L287 VanDerWaalsContact O-CG 3.31Å; M283-L287 WeakPolarHBondContact O-CG 3.36Å; M283-L287 PolarHBondContact O-N 3.35Å; M283-L325 HydrophobicContact CB-CD1 4.1Å; M283-L325 HydrophobicContact CG-CD1 4.03Å; M283-L325 HydrophobicContact CG-CD2 3.8Å
284Q88.9Confident82.8Confident64 Ų6462.5 Ų62.530%0.29932%0.319SS..Hα-helixtrans-60.9-47.2175.3-119.6173.1-33.900112.3I280 R281 S286 L287 A288 V297 L325I280-Q284 WeakPolarHBondContact O-CB 3.43Å; I280-Q284 PolarHBondContact O-N 2.91Å; R281-Q284 WeakPolarHBondContact O-CB 3.02Å; R281-Q284 PolarHBondContact O-N 2.75Å; R281-Q284 VanDerWaalsContact O-N 3.11Å; Q284-S286 VanDerWaalsContact C-N 3.3Å; Q284-S286 PolarHBondContact O-N 3.36Å; Q284-L287 PolarHBondContact O-N 3.33Å; Q284-A288 WeakPolarHBondContact O-CB 3.27Å; Q284-A288 PolarHBondContact O-N 3.27Å; Q284-V297 HydrophobicContact CG-CG1 3.83Å; Q284-L325 HydrophobicContact CB-CD1 4.22Å; Q284-L325 HydrophobicContact CG-CD1 3.83Å
285E86.1Confident82.4Confident131 Ų13163.6 Ų63.661%0.61232%0.324SS*.Hα-helixtrans-62.3-39.4176.6-73.4172.2-17100111.3R281 A288R281-E285 WeakPolarHBondContact O-CG 3.23Å; R281-E285 PolarHBondContact O-N 2.81Å; E285-A288 PolarHBondContact O-N 2.61Å
286S86.2Confident82.3Confident23 Ų2364.9 Ų64.916%0.16133%0.33CS..Hα-helixtrans-70.3-38.3178-54.90000111.9I235 C282 M283 Q284 K289I235-S286 VanDerWaalsContact CD1-CB 3.48Å; C282-S286 WeakPolarHBondContact O-CB 2.95Å; C282-S286 PolarHBondContact O-N 3.42Å; C282-S286 PolarHBondContact O-OG 2.87Å; M283-S286 PolarHBondContact O-N 3.26Å; Q284-S286 VanDerWaalsContact C-N 3.3Å; Q284-S286 PolarHBondContact O-N 3.36Å; S286-K289 WeakPolarHBondContact O-CB 3.25Å; S286-K289 PolarHBondContact O-N 3.35Å
287L87.4Confident82.3Confident6 Ų666.9 Ų66.93%0.03134%0.341CS..Hα-helixtrans-69.3-31.1172.5-74.4170.5000112.9I235 I238 M283 Q284 K289 L290 V297 V323 L325I235-L287 HydrophobicContact CG1-CD2 4.07Å; I238-L287 HydrophobicContact CD1-CD2 4.01Å; M283-L287 HydrophobicContact CE-CD1 4.09Å; M283-L287 HydrophobicContact CE-CD2 4.23Å; M283-L287 HydrophobicContact CE-CG 4.09Å; M283-L287 HydrophobicContact CG-CD1 4.09Å; M283-L287 HydrophobicContact CG-CG 4.48Å; M283-L287 WeakPolarHBondContact O-CB 3.47Å; M283-L287 VanDerWaalsContact O-CG 3.31Å; M283-L287 WeakPolarHBondContact O-CG 3.36Å; M283-L287 PolarHBondContact O-N 3.35Å; Q284-L287 PolarHBondContact O-N 3.33Å; L287-K289 PolarHBondContact O-N 3.01Å; L287-L290 WeakPolarHBondContact O-CB 3.43Å; L287-L290 PolarHBondContact O-N 2.94Å; L287-V297 HydrophobicContact CB-CG2 4.4Å; L287-V297 HydrophobicContact CD1-CG1 4.13Å; L287-V297 HydrophobicContact CD1-CG2 4.09Å; L287-V323 HydrophobicContact CD1-CG1 4.12Å; L287-L325 HydrophobicContact CD1-CD1 4.28Å; L287-L325 HydrophobicContact CD1-CD2 4.15Å
288A83.8Confident82.5Confident65 Ų6566.9 Ų66.954%0.53734%0.338SS..Hα-helixtrans-62.8-25.717800000112.6Q284 E285 L290 A291Q284-A288 WeakPolarHBondContact O-CB 3.27Å; Q284-A288 PolarHBondContact O-N 3.27Å; E285-A288 PolarHBondContact O-N 2.61Å; A288-L290 PolarHBondContact O-N 3.39Å; A288-L290 VanDerWaalsContact O-N 3.13Å; A288-A291 PolarHBondContact O-N 3.24Å
289K79.6Confident82.6Confident169 Ų16962.4 Ų62.474%0.73532%0.319SS*.THydrogen-bonded Turntrans-61.4-17.3171.7-59.9174.8-175170.90112.7S286 L287S286-K289 WeakPolarHBondContact O-CB 3.25Å; S286-K289 PolarHBondContact O-N 3.35Å; L287-K289 PolarHBondContact O-N 3.01Å
290L73.7Confident82.3Confident34 Ų3461.8 Ų61.818%0.17832%0.317CS..THydrogen-bonded Turntrans-97.328.8177.2-58.6-179.5000113.5I235 Q239 L287 A288 N292 Q293 L295I235-L290 HydrophobicContact CG2-CD1 3.45Å; I235-L290 VanDerWaalsContact CG2-CD1 3.45Å; I235-L290 HydrophobicContact CG2-CG 4.37Å; Q239-L290 HydrophobicContact CG-CD1 4.14Å; Q239-L290 VanDerWaalsContact NE2-CD1 3.34Å; L287-L290 WeakPolarHBondContact O-CB 3.43Å; L287-L290 PolarHBondContact O-N 2.94Å; A288-L290 PolarHBondContact O-N 3.39Å; A288-L290 VanDerWaalsContact O-N 3.13Å; L290-N292 PolarHBondContact O-N 3.01Å; L290-Q293 HydrophobicContact CB-CG 4.47Å; L290-Q293 WeakPolarHBondContact O-CB 3.33Å; L290-Q293 PolarHBondContact O-N 3.05Å; L290-L295 HydrophobicContact CB-CD1 4.41Å; L290-L295 HydrophobicContact CD1-CD1 4.41Å
291A60.2Low81.9Confident85 Ų8563.2 Ų63.270%0.70232%0.323SS*.THydrogen-bonded Turntrans-51-23.7-176.300000115.4A288 Q293A288-A291 PolarHBondContact O-N 3.24Å; A291-Q293 VanDerWaalsContact C-N 3.3Å; A291-Q293 PolarHBondContact O-N 3.17Å
292N60.9Low81.2Confident172 Ų17259.9 Ų59.992%0.9232%0.32SS*.THydrogen-bonded Turntrans-80-6.3177.2-67.2-13.5000114.2L290L290-N292 PolarHBondContact O-N 3.01Å
293Q66.1Low80.1Confident69 Ų6961.3 Ų61.332%0.32233%0.33SS..SBendtrans-97.2139.5176.9-61.7-166.7-500110.1L290 A291 L295L290-Q293 HydrophobicContact CB-CG 4.47Å; L290-Q293 WeakPolarHBondContact O-CB 3.33Å; L290-Q293 PolarHBondContact O-N 3.05Å; A291-Q293 VanDerWaalsContact C-N 3.3Å; A291-Q293 PolarHBondContact O-N 3.17Å; Q293-L295 HydrophobicContact CB-CD1 4.21Å; Q293-L295 HydrophobicContact CB-CG 4.09Å; Q293-L295 PolarHBondContact O-N 3.45Å
294R81.4Confident79Confident132 Ų13262 Ų6250%0.49833%0.334SS..  trans-68.770.2-179.5-60.3-179.6-176.8176.4-0.8111.3W319 Y320 R321R294-W319 WeakPolarHBondContact CB-O 3.13Å; R294-W319 WeakPolarHBondContact CD-O 3.41Å; R294-Y320 HydrophobicContact CB-CD1 3.91Å; R294-Y320 HydrophobicContact CB-CD2 4.07Å; R294-Y320 HydrophobicContact CB-CE1 4.04Å; R294-Y320 HydrophobicContact CB-CE2 4.19Å; R294-Y320 HydrophobicContact CB-CG 3.92Å; R294-Y320 HydrophobicContact CG-CE2 4.24Å; R294-Y320 CarbonylContact O-C 3.52Å; R294-Y320 VanDerWaalsContact O-CA 3.25Å; R294-Y320 WeakPolarHBondContact O-CA 3.44Å; R294-R321 PolarHBondContact O-N 3.46Å
295L85.5Confident77.5Confident26 Ų2660.6 Ų60.614%0.13633%0.33CS..EExtended strand (participates in β ladder)trans-114.6137.6-178.6-61.4177.2000110.9I238 L290 Q293 R321 V323I238-L295 HydrophobicContact CG2-CD2 4.3Å; L290-L295 HydrophobicContact CB-CD1 4.41Å; L290-L295 HydrophobicContact CD1-CD1 4.41Å; Q293-L295 HydrophobicContact CB-CD1 4.21Å; Q293-L295 HydrophobicContact CB-CG 4.09Å; Q293-L295 PolarHBondContact O-N 3.45Å; L295-R321 WeakPolarHBondContact CA-O 3.09Å; L295-R321 HydrophobicContact CD2-CB 4.01Å; L295-R321 HydrophobicContact CD2-CG 4.43Å; L295-V323 HydrophobicContact CD2-CG2 4.3Å
296Q87.4Confident76.3Confident37 Ų3757.3 Ų57.317%0.17332%0.317CS..EExtended strand (participates in β ladder)trans-116.1110.9169.3-70.9-176.4-56.200109.2Y298 Y320 R321 K322 V323Q296-Y298 HydrophobicContact CB-CE2 3.69Å; Q296-Y320 HydrophobicContact CG-CD1 3.75Å; Q296-Y320 HydrophobicContact CG-CG 4.11Å; Q296-R321 PolarHBondContact N-O 3.47Å; Q296-K322 CarbonylContact O-C 3.46Å; Q296-K322 WeakPolarHBondContact O-CA 3.06Å; Q296-V323 PolarHBondContact O-N 3.46Å
297V88.6Confident75.1Confident46 Ų4662.7 Ų62.728%0.27934%0.339SS..EExtended strand (participates in β ladder)trans-101.9122.1-174-173.80000110.5Q284 L287 V323 L325Q284-V297 HydrophobicContact CG-CG1 3.83Å; L287-V297 HydrophobicContact CB-CG2 4.4Å; L287-V297 HydrophobicContact CD1-CG1 4.13Å; L287-V297 HydrophobicContact CD1-CG2 4.09Å; V297-V323 CarbonylContact C-O 3.55Å; V297-V323 WeakPolarHBondContact CA-O 3.43Å; V297-V323 HydrophobicContact CG2-CB 4.39Å; V297-L325 HydrophobicContact CG1-CD1 3.73Å; V297-L325 HydrophobicContact CG1-CG 3.96Å
298Y88.1Confident74.1Confident49 Ų4967.3 Ų67.319%0.19236%0.361CS..EExtended strand (participates in β ladder)trans-118117.5179.8-62.7-87000111Q296 V312 K322 V323 I324 L325Q296-Y298 HydrophobicContact CB-CE2 3.69Å; Y298-V312 HydrophobicContact CG-CG2 4.48Å; Y298-K322 HydrophobicContact CD2-CG 3.9Å; Y298-K322 HydrophobicContact CE2-CG 3.93Å; Y298-V323 PolarHBondContact N-O 2.83Å; Y298-I324 WeakPolarHBondContact O-CA 3.39Å; Y298-L325 PolarHBondContact O-N 2.81Å
299P86.3Confident73.3Confident25 Ų2565.1 Ų65.116%0.16234%0.339CS..EExtended strand (participates in β ladder)trans-78.2130.2171.931.5-32.4000110.5I280 V304I280-P299 HydrophobicContact CG2-CB 3.87Å; P299-V304 HydrophobicContact CB-CG2 4.34Å; P299-V304 HydrophobicContact CG-CG2 4.48Å
300L84.6Confident73Confident4 Ų460.6 Ų60.62%0.02132%0.323CS..EExtended strand (participates in β ladder)trans-121.592.7177.2-169.363.2000109.6Q309 V312 I324 L325 S326 T327 I329 A330 V334L300-Q309 HydrophobicContact CD1-CB 3.98Å; L300-Q309 HydrophobicContact CD1-CG 3.87Å; L300-V312 HydrophobicContact CB-CG2 4.49Å; L300-V312 HydrophobicContact CD1-CG2 4.1Å; L300-I324 HydrophobicContact CB-CG2 4.1Å; L300-I324 HydrophobicContact CD2-CG2 4.3Å; L300-L325 PolarHBondContact N-O 2.56Å; L300-S326 WeakPolarHBondContact O-CA 3.33Å; L300-T327 PolarHBondContact O-N 3.36Å; L300-I329 HydrophobicContact CB-CG2 4.46Å; L300-I329 HydrophobicContact CD2-CG2 4Å; L300-I329 HydrophobicContact CG-CG2 3.69Å; L300-I329 WeakPolarHBondContact O-CG2 3.34Å; L300-A330 HydrophobicContact CD2-CB 4.12Å; L300-V334 HydrophobicContact CD2-CG1 4.31Å
301H82.1Confident72.9Confident31 Ų3159.5 Ų59.514%0.14432%0.32CS..  trans-139.1152.5178.6179.2-105.7000109.7I277 I280 S303 V304 Q309I277-H301 HydrophobicContact CD1-CB 3.96Å; I280-H301 HydrophobicContact CD1-CB 3.91Å; H301-S303 PolarHBondContact CE1-OG 3.37Å; H301-S303 WeakPolarHBondContact ND1-CB 3.34Å; H301-S303 PolarHBondContact ND1-N 3.4Å; H301-S303 VanDerWaalsContact ND1-N 3.13Å; H301-S303 PolarHBondContact ND1-OG 3.25Å; H301-S303 PolarHBondContact O-N 3.08Å; H301-V304 HydrophobicContact CB-CG2 4Å; H301-V304 VanDerWaalsContact O-CB 3.31Å; H301-V304 WeakPolarHBondContact O-CB 3.44Å; H301-V304 PolarHBondContact O-N 2.89Å; H301-Q309 PolarHBondContact O-NE2 3.03Å
302S69.8Low73.7Confident60 Ų6055.5 Ų55.542%0.4229%0.287SS..THydrogen-bonded Turntrans-55.7-33-177.774.20000112.4V304 K514S302-V304 VanDerWaalsContact C-N 3.32Å; S302-K514 PolarHBondContact O-NZ 3.24Å; S302-K514 PolarHBondContact OG-NZ 3.06Å
303S64.4Low74.6Confident59 Ų5951.2 Ų51.241%0.41326%0.26SS..THydrogen-bonded Turntrans-77.4-11.5-179.275.30000114.8H301 K514H301-S303 PolarHBondContact CE1-OG 3.37Å; H301-S303 WeakPolarHBondContact ND1-CB 3.34Å; H301-S303 PolarHBondContact ND1-N 3.4Å; H301-S303 VanDerWaalsContact ND1-N 3.13Å; H301-S303 PolarHBondContact ND1-OG 3.25Å; H301-S303 PolarHBondContact O-N 3.08Å; S303-K514 VanDerWaalsContact N-NZ 3.19Å
304V67.4Low75.2Confident14 Ų1453.3 Ų53.39%0.08527%0.273CS..SBendtrans-75.7149.1177.3173.50000108.7P299 H301 S302 E308 Q309P299-V304 HydrophobicContact CB-CG2 4.34Å; P299-V304 HydrophobicContact CG-CG2 4.48Å; H301-V304 HydrophobicContact CB-CG2 4Å; H301-V304 VanDerWaalsContact O-CB 3.31Å; H301-V304 WeakPolarHBondContact O-CB 3.44Å; H301-V304 PolarHBondContact O-N 2.89Å; S302-V304 VanDerWaalsContact C-N 3.32Å; V304-E308 HydrophobicContact CG1-CB 3.35Å; V304-E308 HydrophobicContact CG1-CG 4.24Å; V304-E308 VanDerWaalsContact CG1-OE2 3.24Å; V304-E308 WeakPolarHBondContact CG1-OE2 3.47Å; V304-Q309 HydrophobicContact CB-CG 4.34Å; V304-Q309 HydrophobicContact CG1-CG 4.18Å; V304-Q309 PolarHBondContact O-NE2 3Å
305T58.1Low75Confident35 Ų3552 Ų5222%0.21528%0.284CS..  trans-66.4153.3-177.666.70000111.2E307 E308 Q309T305-E307 PolarHBondContact O-N 3.48Å; T305-E308 WeakPolarHBondContact CB-OE2 3.49Å; T305-E308 WeakPolarHBondContact CG2-OE2 3.3Å; T305-E308 PolarHBondContact N-OE2 2.95Å; T305-E308 PolarHBondContact O-N 3.28Å; T305-E308 WeakPolarHBondContact OG1-CB 3.48Å; T305-E308 WeakPolarHBondContact OG1-CG 3.44Å; T305-E308 PolarHBondContact OG1-N 3.42Å; T305-E308 PolarHBondContact OG1-OE2 3.1Å; T305-Q309 WeakPolarHBondContact O-CG 3.18Å; T305-Q309 PolarHBondContact O-N 3.43Å
306L60.5Low74.7Confident62 Ų6252.4 Ų52.433%0.32529%0.289SS..Hα-helixtrans-63.1-29.3-179.7-173.668.9000112.2Q309 N310L306-Q309 PolarHBondContact O-N 3.02Å; L306-N310 VanDerWaalsContact O-CB 3.3Å; L306-N310 WeakPolarHBondContact O-CB 3.46Å; L306-N310 PolarHBondContact O-N 2.87Å; L306-N310 PolarHBondContact O-ND2 3.44Å; L306-N310 PolarHBondContact O-OD1 3.46Å
307E61.3Low74.5Confident136 Ų13654.1 Ų54.164%0.63630%0.301SS*.Hα-helixtrans-66.5-45.9175.8-72.4165.3-15600111.4T305 N310 G311T305-E307 PolarHBondContact O-N 3.48Å; E307-N310 PolarHBondContact O-N 3.44Å; E307-G311 PolarHBondContact O-N 2.76Å
308E65.4Low73.9Confident104 Ų10455.4 Ų55.449%0.48631%0.31SS..Hα-helixtrans-63.3-40.6174.1-71.4164.1146.700111.7V304 T305 N310 G311V304-E308 HydrophobicContact CG1-CB 3.35Å; V304-E308 HydrophobicContact CG1-CG 4.24Å; V304-E308 VanDerWaalsContact CG1-OE2 3.24Å; V304-E308 WeakPolarHBondContact CG1-OE2 3.47Å; T305-E308 WeakPolarHBondContact CB-OE2 3.49Å; T305-E308 WeakPolarHBondContact CG2-OE2 3.3Å; T305-E308 PolarHBondContact N-OE2 2.95Å; T305-E308 PolarHBondContact O-N 3.28Å; T305-E308 WeakPolarHBondContact OG1-CB 3.48Å; T305-E308 WeakPolarHBondContact OG1-CG 3.44Å; T305-E308 PolarHBondContact OG1-N 3.42Å; T305-E308 PolarHBondContact OG1-OE2 3.1Å; E308-N310 VanDerWaalsContact C-N 3.34Å; E308-G311 PolarHBondContact O-N 3.34Å
309Q68.9Low73.3Confident19 Ų1958.8 Ų58.89%0.08932%0.323CS..Hα-helixtrans-63.5-39.9174-66.4-179.128.200111.7L300 H301 V304 T305 L306 G311 V312L300-Q309 HydrophobicContact CD1-CB 3.98Å; L300-Q309 HydrophobicContact CD1-CG 3.87Å; H301-Q309 PolarHBondContact O-NE2 3.03Å; V304-Q309 HydrophobicContact CB-CG 4.34Å; V304-Q309 HydrophobicContact CG1-CG 4.18Å; V304-Q309 PolarHBondContact O-NE2 3Å; T305-Q309 WeakPolarHBondContact O-CG 3.18Å; T305-Q309 PolarHBondContact O-N 3.43Å; L306-Q309 PolarHBondContact O-N 3.02Å; Q309-G311 PolarHBondContact O-N 3.33Å; Q309-V312 VanDerWaalsContact O-CB 3.28Å; Q309-V312 WeakPolarHBondContact O-CB 3.34Å; Q309-V312 WeakPolarHBondContact O-CG2 3.36Å; Q309-V312 PolarHBondContact O-N 3.01Å; Q309-V312 VanDerWaalsContact O-N 3.15Å
310N71.4Confident73.2Confident74 Ų7462.1 Ų62.140%0.39633%0.333SS..Hα-helixtrans-66-28.3177.6-75.2-14.2000112.4L306 E307 E308 V312 F313L306-N310 VanDerWaalsContact O-CB 3.3Å; L306-N310 WeakPolarHBondContact O-CB 3.46Å; L306-N310 PolarHBondContact O-N 2.87Å; L306-N310 PolarHBondContact O-ND2 3.44Å; L306-N310 PolarHBondContact O-OD1 3.46Å; E307-N310 PolarHBondContact O-N 3.44Å; E308-N310 VanDerWaalsContact C-N 3.34Å; N310-V312 PolarHBondContact O-N 2.77Å; N310-V312 VanDerWaalsContact O-N 3.14Å; N310-F313 PolarHBondContact O-N 2.9Å
311G71.8Confident73.3Confident11 Ų1161.9 Ų61.911%0.11333%0.332CS..Hα-helixtrans-56.2-26.217300000113.5E307 E308 Q309 F313 L314E307-G311 PolarHBondContact O-N 2.76Å; E308-G311 PolarHBondContact O-N 3.34Å; Q309-G311 PolarHBondContact O-N 3.33Å; G311-F313 PolarHBondContact O-N 3.38Å; G311-L314 WeakPolarHBondContact O-CB 3.4Å; G311-L314 PolarHBondContact O-N 2.91Å
312V78.7Confident73.7Confident0 Ų060.4 Ų60.40%033%0.325CS..THydrogen-bonded Turntrans-66.6-20.9176.6-1780000112.6Y298 L300 Q309 N310 K322 I324 V336Y298-V312 HydrophobicContact CG-CG2 4.48Å; L300-V312 HydrophobicContact CB-CG2 4.49Å; L300-V312 HydrophobicContact CD1-CG2 4.1Å; Q309-V312 VanDerWaalsContact O-CB 3.28Å; Q309-V312 WeakPolarHBondContact O-CB 3.34Å; Q309-V312 WeakPolarHBondContact O-CG2 3.36Å; Q309-V312 PolarHBondContact O-N 3.01Å; Q309-V312 VanDerWaalsContact O-N 3.15Å; N310-V312 PolarHBondContact O-N 2.77Å; N310-V312 VanDerWaalsContact O-N 3.14Å; V312-K322 WeakPolarHBondContact O-CE 3.37Å; V312-K322 PolarHBondContact O-NZ 3.11Å; V312-I324 HydrophobicContact CG1-CD1 3.7Å; V312-I324 HydrophobicContact CG1-CG1 3.99Å; V312-I324 HydrophobicContact CG1-CG2 3.94Å; V312-I324 HydrophobicContact CG2-CG2 4.5Å; V312-V336 HydrophobicContact CG1-CG2 3.64Å
313F78.6Confident74.7Confident83 Ų8357.6 Ų57.636%0.36431%0.305SS..THydrogen-bonded Turntrans-89.9-9.8177.3-57.8-74.8000113.5I68 N310 G311 V334I68-F313 HydrophobicContact CD1-CE2 4.45Å; I68-F313 HydrophobicContact CD1-CZ 4.44Å; N310-F313 PolarHBondContact O-N 2.9Å; G311-F313 PolarHBondContact O-N 3.38Å; F313-V334 HydrophobicContact CE1-CG1 3.75Å; F313-V334 HydrophobicContact CZ-CG1 3.58Å
314L79.8Confident76.1Confident112 Ų11254.8 Ų54.859%0.58629%0.285SS*.SBendtrans-72.6145.7177-58.5176.3000110.1G311 K322G311-L314 WeakPolarHBondContact O-CB 3.4Å; G311-L314 PolarHBondContact O-N 2.91Å; L314-K322 PolarHBondContact O-NZ 2.85Å
315S76.1Confident77.3Confident106 Ų10654.1 Ų54.174%0.74128%0.281SS*.PPolyproline II helixtrans-63.9139.8171-57.80000109.8
316P79.7Confident78.9Confident34 Ų3452.4 Ų52.422%0.22127%0.271CS..PPolyproline II helixtrans-61.8154.2175.723.8-30.4000111.5K322P316-K322 HydrophobicContact CB-CB 4.15Å; P316-K322 HydrophobicContact CG-CB 4.47Å
317V82.1Confident80.4Confident73 Ų7350 Ų5044%0.44226%0.259SS..PPolyproline II helixtrans-60.4136.6169.7173.40000108W319 Y320V317-W319 PolarHBondContact O-N 3.39Å; V317-Y320 HydrophobicContact CB-CD2 4.23Å; V317-Y320 HydrophobicContact CG1-CD2 4.03Å; V317-Y320 HydrophobicContact CG1-CE2 4.47Å; V317-Y320 WeakPolarHBondContact O-CB 3.19Å; V317-Y320 PolarHBondContact O-N 2.84Å
318P76.2Confident81.5Confident72 Ų7246.8 Ų46.847%0.46825%0.246SC..THydrogen-bonded Turntrans-48.9138.2178.6-29.335.2000111.5Y320P318-Y320 PolarHBondContact O-N 2.9Å
319W75.2Confident82.2Confident121 Ų12142.7 Ų42.746%0.45823%0.227SC..THydrogen-bonded Turntrans72-6.4-176.4-44.198.7000117.3L264 R294 V317L264-W319 HydrophobicContact CB-CH2 3.7Å; L264-W319 HydrophobicContact CB-CZ3 4.16Å; R294-W319 WeakPolarHBondContact CB-O 3.13Å; R294-W319 WeakPolarHBondContact CD-O 3.41Å; V317-W319 PolarHBondContact O-N 3.39Å
320Y84.8Confident82.9Confident94 Ų9441.9 Ų41.937%0.36922%0.224SC..PPolyproline II helixtrans-91.9144.4171.7-78.5-110.1000111.1R294 Q296 V317 P318R294-Y320 HydrophobicContact CB-CD1 3.91Å; R294-Y320 HydrophobicContact CB-CD2 4.07Å; R294-Y320 HydrophobicContact CB-CE1 4.04Å; R294-Y320 HydrophobicContact CB-CE2 4.19Å; R294-Y320 HydrophobicContact CB-CG 3.92Å; R294-Y320 HydrophobicContact CG-CE2 4.24Å; R294-Y320 CarbonylContact O-C 3.52Å; R294-Y320 VanDerWaalsContact O-CA 3.25Å; R294-Y320 WeakPolarHBondContact O-CA 3.44Å; Q296-Y320 HydrophobicContact CG-CD1 3.75Å; Q296-Y320 HydrophobicContact CG-CG 4.11Å; V317-Y320 HydrophobicContact CB-CD2 4.23Å; V317-Y320 HydrophobicContact CG1-CD2 4.03Å; V317-Y320 HydrophobicContact CG1-CE2 4.47Å; V317-Y320 WeakPolarHBondContact O-CB 3.19Å; V317-Y320 PolarHBondContact O-N 2.84Å; P318-Y320 PolarHBondContact O-N 2.9Å
321R86.9Confident83.3Confident0 Ų038.9 Ų38.90%021%0.208CC..EExtended strand (participates in β ladder)trans-94.8126.9170.1175176.7-71-99.2-3.2109.3F241 N242 E245 G268 V270 R294 L295 Q296 Y341F241-R321 PolarHBondContact O-NH2 3.42Å; N242-R321 PolarHBondContact OD1-NE 3.33Å; N242-R321 PolarHBondContact OD1-NH2 2.85Å; E245-R321 IonicContact OE1-NH2 3.53Å; E245-R321 IonicContact OE2-CZ 3.05Å; E245-R321 IonicContact OE2-NH2 3.86Å; E245-R321 PolarHBondContact OE2-NH2 3.33Å; G268-R321 PolarHBondContact O-NH1 3.38Å; V270-R321 HydrophobicContact CG2-CG 4.28Å; R294-R321 PolarHBondContact O-N 3.46Å; L295-R321 WeakPolarHBondContact CA-O 3.09Å; L295-R321 HydrophobicContact CD2-CB 4.01Å; L295-R321 HydrophobicContact CD2-CG 4.43Å; Q296-R321 PolarHBondContact N-O 3.47Å; R321-Y341 VanDerWaalsContact NH1-CD2 3.29Å
322K90.1Very high83Confident0 Ų038.7 Ų38.70%020%0.204CC..EExtended strand (participates in β ladder)trans-79.8129.8174.5-171178.3178.9179.70110.3S269 V270 Q296 Y298 V312 L314 P316 I324 D338S269-K322 WeakPolarHBondContact OG-CB 3.31Å; V270-K322 PolarHBondContact N-O 3.11Å; Q296-K322 CarbonylContact O-C 3.46Å; Q296-K322 WeakPolarHBondContact O-CA 3.06Å; Y298-K322 HydrophobicContact CD2-CG 3.9Å; Y298-K322 HydrophobicContact CE2-CG 3.93Å; V312-K322 WeakPolarHBondContact O-CE 3.37Å; V312-K322 PolarHBondContact O-NZ 3.11Å; L314-K322 PolarHBondContact O-NZ 2.85Å; P316-K322 HydrophobicContact CB-CB 4.15Å; P316-K322 HydrophobicContact CG-CB 4.47Å; K322-I324 HydrophobicContact CD-CD1 4.46Å; K322-I324 HydrophobicContact CG-CG1 4.17Å; K322-D338 WeakPolarHBondContact CD-OD2 3.38Å; K322-D338 IonicContact NZ-OD1 3.96Å; K322-D338 PolarHBondContact NZ-OD1 3.25Å; K322-D338 IonicContact NZ-OD2 3.79Å; K322-D338 PolarHBondContact NZ-OD2 2.97Å
323V92.1Very high82Confident0 Ų039.3 Ų39.30%021%0.209CC..EExtended strand (participates in β ladder)trans-124118.2176.2-177.40000108I238 V270 V272 L287 L295 Q296 V297 Y298 L325I238-V323 HydrophobicContact CD1-CG1 4.19Å; I238-V323 HydrophobicContact CG2-CG2 4.21Å; V270-V323 HydrophobicContact CB-CG2 4.44Å; V270-V323 CarbonylContact O-C 3.51Å; V270-V323 WeakPolarHBondContact O-CA 3.26Å; V272-V323 HydrophobicContact CG2-CG1 4.3Å; L287-V323 HydrophobicContact CD1-CG1 4.12Å; L295-V323 HydrophobicContact CD2-CG2 4.3Å; Q296-V323 PolarHBondContact O-N 3.46Å; V297-V323 CarbonylContact C-O 3.55Å; V297-V323 WeakPolarHBondContact CA-O 3.43Å; V297-V323 HydrophobicContact CG2-CB 4.39Å; Y298-V323 PolarHBondContact N-O 2.83Å; V323-L325 HydrophobicContact CG1-CD2 3.93Å
324I92.4Very high81.4Confident0 Ų035.6 Ų35.60%019%0.193CC..EExtended strand (participates in β ladder)trans-107.7118.6-177-54.3162.4000107.4V270 L271 V272 Y298 L300 V312 K322 V336 V339V270-I324 PolarHBondContact O-N 3.13Å; L271-I324 HydrophobicContact CD1-CB 3.82Å; L271-I324 HydrophobicContact CD1-CG2 3.7Å; V272-I324 PolarHBondContact N-O 2.83Å; Y298-I324 WeakPolarHBondContact O-CA 3.39Å; L300-I324 HydrophobicContact CB-CG2 4.1Å; L300-I324 HydrophobicContact CD2-CG2 4.3Å; V312-I324 HydrophobicContact CG1-CD1 3.7Å; V312-I324 HydrophobicContact CG1-CG1 3.99Å; V312-I324 HydrophobicContact CG1-CG2 3.94Å; V312-I324 HydrophobicContact CG2-CG2 4.5Å; K322-I324 HydrophobicContact CD-CD1 4.46Å; K322-I324 HydrophobicContact CG-CG1 4.17Å; I324-V336 HydrophobicContact CD1-CB 4.35Å; I324-V336 HydrophobicContact CD1-CG1 3.8Å; I324-V336 HydrophobicContact CD1-CG2 4.22Å; I324-V339 HydrophobicContact CD1-CG2 4.37Å
325L93.4Very high80.8Confident0 Ų033.8 Ų33.80%019%0.187CC..EExtended strand (participates in β ladder)trans-100.9106.6178-54.6-176.8000108.5V272 L274 I280 M283 Q284 L287 V297 Y298 L300 V323V272-L325 HydrophobicContact CB-CD2 3.8Å; V272-L325 HydrophobicContact CG1-CD2 4.41Å; V272-L325 HydrophobicContact CG2-CD2 3.83Å; L274-L325 HydrophobicContact CD1-CB 4.38Å; I280-L325 HydrophobicContact CG1-CB 4.36Å; I280-L325 HydrophobicContact CG2-CB 4.06Å; I280-L325 HydrophobicContact CG2-CD1 4.38Å; M283-L325 HydrophobicContact CB-CD1 4.1Å; M283-L325 HydrophobicContact CG-CD1 4.03Å; M283-L325 HydrophobicContact CG-CD2 3.8Å; Q284-L325 HydrophobicContact CB-CD1 4.22Å; Q284-L325 HydrophobicContact CG-CD1 3.83Å; L287-L325 HydrophobicContact CD1-CD1 4.28Å; L287-L325 HydrophobicContact CD1-CD2 4.15Å; V297-L325 HydrophobicContact CG1-CD1 3.73Å; V297-L325 HydrophobicContact CG1-CG 3.96Å; Y298-L325 PolarHBondContact O-N 2.81Å; L300-L325 PolarHBondContact N-O 2.56Å; V323-L325 HydrophobicContact CG1-CD2 3.93Å
326S92.1Very high80.7Confident0 Ų029.2 Ų29.20%015%0.154CC..EExtended strand (participates in β ladder)trans-126.3151.8-168.1-175.50000113.5V272 F273 L274 L300 I329 A330V272-S326 PolarHBondContact O-N 2.85Å; F273-S326 CarbonylContact C-O 3.59Å; F273-S326 WeakPolarHBondContact CA-O 3.31Å; L274-S326 PolarHBondContact N-O 3.39Å; L300-S326 WeakPolarHBondContact O-CA 3.33Å; S326-I329 VanDerWaalsContact OG-CG2 3.23Å; S326-I329 WeakPolarHBondContact OG-CG2 3.43Å; S326-A330 WeakPolarHBondContact OG-CB 3.46Å; S326-A330 PolarHBondContact OG-N 3.13Å
327T90.8Very high80.2Confident10 Ų1031.2 Ų31.26%0.06117%0.167CC..SBendtrans-84.3-164.7159.550.30000111F273 L274 I280 L300 I329 A330F273-T327 WeakPolarHBondContact CD1-O 3.41Å; F273-T327 WeakPolarHBondContact CE1-O 3.38Å; L274-T327 WeakPolarHBondContact O-CA 3.24Å; L274-T327 WeakPolarHBondContact O-CG2 3.46Å; I280-T327 HydrophobicContact CD1-CG2 4.08Å; L300-T327 PolarHBondContact O-N 3.36Å; T327-I329 PolarHBondContact O-N 3.23Å; T327-A330 PolarHBondContact O-N 3.31Å
328N85.3Confident80.3Confident69 Ų6929.7 Ų29.737%0.36916%0.157SC..G310 helixtrans-59.10.717168.3-14.2000114.4R66 A330 E331R66-N328 PolarHBondContact NH2-O 2.97Å; R66-N328 VanDerWaalsContact NH2-O 3.16Å; N328-A330 VanDerWaalsContact C-N 3.34Å; N328-E331 VanDerWaalsContact O-CB 3.28Å; N328-E331 WeakPolarHBondContact O-CB 3.49Å; N328-E331 PolarHBondContact O-N 2.93Å
329I80.6Confident80.9Confident19 Ų1926.4 Ų26.410%0.09714%0.135CC..G310 helixtrans-64.1-33.6172.5-169.9164000113.9L300 S326 T327 E331 V334L300-I329 HydrophobicContact CB-CG2 4.46Å; L300-I329 HydrophobicContact CD2-CG2 4Å; L300-I329 HydrophobicContact CG-CG2 3.69Å; L300-I329 WeakPolarHBondContact O-CG2 3.34Å; S326-I329 VanDerWaalsContact OG-CG2 3.23Å; S326-I329 WeakPolarHBondContact OG-CG2 3.43Å; T327-I329 PolarHBondContact O-N 3.23Å; I329-E331 VanDerWaalsContact C-N 3.3Å; I329-V334 HydrophobicContact CG1-CG2 4.3Å
330A83.4Confident81.6Confident2 Ų222.6 Ų22.62%0.01712%0.122CC..G310 helixtrans-83.5-4.4175.100000113.7L271 F273 L300 S326 T327 N328 R378L271-A330 HydrophobicContact CD1-CB 3.99Å; L271-A330 HydrophobicContact CD2-CB 4.04Å; F273-A330 HydrophobicContact CE1-CB 3.98Å; F273-A330 HydrophobicContact CZ-CB 4.01Å; L300-A330 HydrophobicContact CD2-CB 4.12Å; S326-A330 WeakPolarHBondContact OG-CB 3.46Å; S326-A330 PolarHBondContact OG-N 3.13Å; T327-A330 PolarHBondContact O-N 3.31Å; N328-A330 VanDerWaalsContact C-N 3.34Å; A330-R378 WeakPolarHBondContact O-CD 3.47Å; A330-R378 PolarHBondContact O-NE 3.07Å
331E80.1Confident82Confident11 Ų1118.4 Ų18.45%0.05111%0.105CC..THydrogen-bonded Turntrans-70.4-38.2-173.1-172.7175141.400113.1F273 N328 I329 N371 Q374 R375 R378F273-E331 HydrophobicContact CE1-CB 4.33Å; N328-E331 VanDerWaalsContact O-CB 3.28Å; N328-E331 WeakPolarHBondContact O-CB 3.49Å; N328-E331 PolarHBondContact O-N 2.93Å; I329-E331 VanDerWaalsContact C-N 3.3Å; E331-N371 WeakPolarHBondContact OE1-CA 3.45Å; E331-N371 WeakPolarHBondContact OE1-CB 3.48Å; E331-N371 PolarHBondContact OE1-ND2 3.34Å; E331-Q374 HydrophobicContact CG-CB 3.8Å; E331-R375 HydrophobicContact CG-CG 4.13Å; E331-R375 IonicContact OE2-NE 3.39Å; E331-R375 PolarHBondContact OE2-NE 2.8Å; E331-R375 IonicContact OE2-NH2 4Å; E331-R378 VanDerWaalsContact C-CZ 3.47Å; E331-R378 VanDerWaalsContact C-NH2 3.31Å; E331-R378 PolarHBondContact O-NE 3.21Å; E331-R378 PolarHBondContact O-NH2 2.87Å
332S65.6Low82.4Confident7 Ų718.4 Ų18.45%0.04911%0.105CC..SBendtrans-128.8-63.1-170.1-47.90000111.2E136 Q374 R378E136-S332 WeakPolarHBondContact OE1-CB 3.25Å; E136-S332 PolarHBondContact OE1-OG 2.74Å; S332-Q374 PolarHBondContact OG-OE1 2.9Å; S332-Q374 VanDerWaalsContact OG-OE1 3.13Å; S332-R378 PolarHBondContact O-NH1 2.86Å; S332-R378 VanDerWaalsContact O-NH1 3.08Å; S332-R378 PolarHBondContact O-NH2 2.95Å
333S57.6Low82.6Confident13 Ų1318.4 Ų18.49%0.09111%0.105CC..SBendtrans-92.5-3.5-161.7-380000116.6R66R66-S333 WeakPolarHBondContact CD-OG 3.42Å; R66-S333 VanDerWaalsContact CG-OG 3.23Å; R66-S333 WeakPolarHBondContact CG-OG 3.4Å; R66-S333 PolarHBondContact NE-OG 2.84Å
334V65.3Low82.8Confident4 Ų418.4 Ų18.42%0.02411%0.105CC..  trans-118.9118.5175.9174.20000109.1I68 L300 F313 I329 V336 R378I68-V334 HydrophobicContact CD1-CG2 4.32Å; I68-V334 HydrophobicContact CG2-CG2 4.25Å; L300-V334 HydrophobicContact CD2-CG1 4.31Å; F313-V334 HydrophobicContact CE1-CG1 3.75Å; F313-V334 HydrophobicContact CZ-CG1 3.58Å; I329-V334 HydrophobicContact CG1-CG2 4.3Å; V334-V336 HydrophobicContact CG1-CG2 4.06Å; V334-R378 PolarHBondContact O-NH1 3.38Å
335T66.8Low82.9Confident75 Ų7518.5 Ų18.546%0.4611%0.106SC..  trans-109.3100.5-17858.30000109.7
336V75.1Confident82.9Confident9 Ų918.5 Ų18.56%0.05511%0.106CC..  trans-91117.6174.3-175.80000107.6V312 I324 V334 D338 V339V312-V336 HydrophobicContact CG1-CG2 3.64Å; I324-V336 HydrophobicContact CD1-CB 4.35Å; I324-V336 HydrophobicContact CD1-CG1 3.8Å; I324-V336 HydrophobicContact CD1-CG2 4.22Å; V334-V336 HydrophobicContact CG1-CG2 4.06Å; V336-D338 WeakPolarHBondContact CG1-OD1 3.39Å; V336-D338 PolarHBondContact O-N 3.48Å; V336-V339 HydrophobicContact CB-CG2 3.81Å; V336-V339 HydrophobicContact CG1-CG2 3.87Å
337P69.3Low82.9Confident76 Ų7618.8 Ų18.849%0.49411%0.107SC..THydrogen-bonded Turntrans-72.2-27.9-167.627.1-33.8000113.5V382P337-V382 WeakPolarHBondContact O-CG1 3.38Å; P337-V382 WeakPolarHBondContact O-CG2 3.39Å
338D82.9Confident82.8Confident42 Ų4218.6 Ų18.623%0.22511%0.107CC..THydrogen-bonded Turntrans-94.411.4-169.358.7-46.6000115S269 K322 V336 K340S269-D338 VanDerWaalsContact CB-O 3.25Å; S269-D338 WeakPolarHBondContact CB-O 3.43Å; S269-D338 WeakPolarHBondContact CB-OD2 3.16Å; S269-D338 PolarHBondContact N-O 2.99Å; S269-D338 PolarHBondContact OG-OD2 2.74Å; K322-D338 WeakPolarHBondContact CD-OD2 3.38Å; K322-D338 IonicContact NZ-OD1 3.96Å; K322-D338 PolarHBondContact NZ-OD1 3.25Å; K322-D338 IonicContact NZ-OD2 3.79Å; K322-D338 PolarHBondContact NZ-OD2 2.97Å; V336-D338 WeakPolarHBondContact CG1-OD1 3.39Å; V336-D338 PolarHBondContact O-N 3.48Å; D338-K340 PolarHBondContact O-N 3.36Å
339V88.4Confident82.8Confident2 Ų219.1 Ų19.11%0.01210%0.103CC..EExtended strand (participates in β ladder)trans-75.3122.6-178.9179.30000111L271 I324 V336 V342L271-V339 HydrophobicContact CB-CG1 3.77Å; L271-V339 HydrophobicContact CB-CG2 4.31Å; L271-V339 HydrophobicContact CD2-CG1 4.47Å; I324-V339 HydrophobicContact CD1-CG2 4.37Å; V336-V339 HydrophobicContact CB-CG2 3.81Å; V336-V339 HydrophobicContact CG1-CG2 3.87Å; V339-V342 HydrophobicContact CG1-CG2 4.09Å
340K90.3Very high82.8Confident42 Ų4220.4 Ų20.418%0.18311%0.109CC..EExtended strand (participates in β ladder)trans-115.1-30.6176.6-174.1175.1173.5-1720113.1E245 S269 D338 G385 F386E245-K340 WeakPolarHBondContact OE1-CD 3.42Å; E245-K340 IonicContact OE1-NZ 3.42Å; E245-K340 PolarHBondContact OE1-NZ 3.32Å; S269-K340 PolarHBondContact O-N 3.15Å; D338-K340 PolarHBondContact O-N 3.36Å; K340-G385 WeakPolarHBondContact O-CA 3.47Å; K340-F386 PolarHBondContact O-N 2.77Å
341Y93.3Very high82.5Confident5 Ų523.9 Ų23.92%0.0213%0.127CC..EExtended strand (participates in β ladder)trans-119.2130-178.6-54.1-84.6000110.4F241 E245 S269 V270 L271 R321 F386 Y388F241-Y341 HydrophobicContact CB-CE1 4.43Å; F241-Y341 HydrophobicContact CB-CE2 4.35Å; F241-Y341 AromaticContact CD1-CD1 3.98Å; F241-Y341 HydrophobicContact CD1-CD1 3.98Å; F241-Y341 HydrophobicContact CD1-CE1 4.06Å; F241-Y341 AromaticContact CD2-CD1 3.94Å; F241-Y341 HydrophobicContact CD2-CD1 3.94Å; F241-Y341 HydrophobicContact CD2-CD2 4.03Å; F241-Y341 HydrophobicContact CD2-CE1 4.48Å; F241-Y341 AromaticContact CD2-CG 3.7Å; F241-Y341 HydrophobicContact CD2-CG 3.7Å; F241-Y341 AromaticContact CE1-CD1 3.98Å; F241-Y341 HydrophobicContact CE1-CD1 3.98Å; F241-Y341 HydrophobicContact CE1-CE1 4.42Å; F241-Y341 AromaticContact CE2-CD1 3.95Å; F241-Y341 HydrophobicContact CE2-CD1 3.95Å; F241-Y341 AromaticContact CE2-CG 3.77Å; F241-Y341 HydrophobicContact CE2-CG 3.77Å; F241-Y341 AromaticContact CG-CD1 3.96Å; F241-Y341 HydrophobicContact CG-CD1 3.96Å; F241-Y341 HydrophobicContact CG-CD2 4.39Å; F241-Y341 HydrophobicContact CG-CE1 4.08Å; F241-Y341 HydrophobicContact CG-CE2 4.5Å; F241-Y341 HydrophobicContact CG-CG 4.13Å; F241-Y341 AromaticContact CZ-CD1 3.97Å; F241-Y341 HydrophobicContact CZ-CD1 3.97Å; F241-Y341 HydrophobicContact CZ-CG 4.23Å; E245-Y341 WeakPolarHBondContact CG-OH 3.29Å; E245-Y341 VanDerWaalsContact OE1-CE2 3.24Å; E245-Y341 WeakPolarHBondContact OE1-CE2 3.07Å; E245-Y341 PolarHBondContact OE1-OH 2.69Å; S269-Y341 PolarHBondContact O-N 2.72Å; S269-Y341 VanDerWaalsContact O-N 3.16Å; V270-Y341 CarbonylContact C-O 3.57Å; V270-Y341 WeakPolarHBondContact CA-O 3.29Å; V270-Y341 HydrophobicContact CG2-CD2 4.22Å; L271-Y341 PolarHBondContact N-O 3.1Å; R321-Y341 VanDerWaalsContact NH1-CD2 3.29Å; Y341-F386 WeakPolarHBondContact CA-O 3.24Å; Y341-F386 HydrophobicContact CD1-CB 3.95Å; Y341-F386 AromaticContact CD1-CD2 3.95Å; Y341-F386 HydrophobicContact CD1-CD2 3.95Å; Y341-F386 HydrophobicContact CD1-CG 4.28Å; Y341-F386 HydrophobicContact CE1-CB 4.35Å; Y341-F386 AromaticContact CE1-CD2 3.55Å; Y341-F386 HydrophobicContact CE1-CD2 3.55Å; Y341-F386 HydrophobicContact CE1-CE2 4.18Å; Y341-F386 HydrophobicContact CE1-CG 4.17Å; Y341-Y388 HydrophobicContact CD1-CE2 4.17Å
342V94.7Very high82.4Confident0 Ų024.9 Ų24.90%013%0.134CC..EExtended strand (participates in β ladder)trans-115.6128172.1169.90000109.1L271 F273 V339 R378 A379 F386 C387 Y388L271-V342 HydrophobicContact CB-CG2 4.35Å; L271-V342 CarbonylContact O-C 3.39Å; L271-V342 VanDerWaalsContact O-CA 3.31Å; L271-V342 WeakPolarHBondContact O-CA 3.41Å; F273-V342 HydrophobicContact CD2-CG1 3.99Å; F273-V342 HydrophobicContact CE2-CG1 4.06Å; V339-V342 HydrophobicContact CG1-CG2 4.09Å; V342-R378 HydrophobicContact CG2-CB 4.2Å; V342-A379 HydrophobicContact CG2-CB 3.87Å; V342-F386 PolarHBondContact N-O 2.86Å; V342-C387 CarbonylContact O-C 3.47Å; V342-C387 WeakPolarHBondContact O-CA 3.49Å; V342-Y388 PolarHBondContact O-N 3.03Å
343I96.1Very high82.9Confident0 Ų025.5 Ų25.50%014%0.138CC..EExtended strand (participates in β ladder)trans-111.2117.9170.2-58.1177.3000107.3A234 L237 I238 F241 V270 L271 V272 F273 F345 L390A234-I343 HydrophobicContact CB-CG2 4.36Å; L237-I343 HydrophobicContact CB-CD1 4.18Å; L237-I343 HydrophobicContact CD1-CD1 4.39Å; I238-I343 HydrophobicContact CD1-CD1 4.31Å; I238-I343 HydrophobicContact CG1-CD1 3.85Å; F241-I343 HydrophobicContact CE2-CD1 4.18Å; F241-I343 HydrophobicContact CZ-CD1 4.37Å; F241-I343 HydrophobicContact CZ-CG1 4.49Å; V270-I343 HydrophobicContact CG1-CD1 4.09Å; V270-I343 HydrophobicContact CG1-CG1 4.32Å; L271-I343 PolarHBondContact O-N 2.77Å; V272-I343 CarbonylContact C-O 3.44Å; V272-I343 WeakPolarHBondContact CA-O 3.43Å; V272-I343 HydrophobicContact CG1-CB 4.25Å; V272-I343 HydrophobicContact CG1-CG2 4.35Å; V272-I343 HydrophobicContact CG2-CB 4.31Å; V272-I343 HydrophobicContact CG2-CD1 4.36Å; F273-I343 PolarHBondContact N-O 3.45Å; I343-F345 HydrophobicContact CG2-CE2 4.23Å; I343-L390 HydrophobicContact CG2-CD1 3.93Å; I343-L390 HydrophobicContact CG2-CG 4.22Å
344D95.5Very high83.9Confident0 Ų025.9 Ų25.90%014%0.139CC..EExtended strand (participates in β ladder)trans-119113.9-174.9-168.66.3000111.3C346 C372 R375 Y388 R389 L390D344-C346 PolarHBondContact O-N 2.76Å; D344-C346 WeakPolarHBondContact OD1-CA 3.42Å; D344-C346 PolarHBondContact OD1-N 3.28Å; D344-C372 WeakPolarHBondContact OD2-CB 3.44Å; D344-C372 PolarHBondContact OD2-SG 3.14Å; D344-R375 IonicContact OD1-CZ 3.69Å; D344-R375 IonicContact OD1-NH1 2.83Å; D344-R375 PolarHBondContact OD1-NH1 3.46Å; D344-R375 VanDerWaalsContact OD2-CD 3.24Å; D344-R375 WeakPolarHBondContact OD2-CD 3.45Å; D344-R375 IonicContact OD2-NH1 2.72Å; D344-Y388 PolarHBondContact N-O 2.75Å; D344-R389 WeakPolarHBondContact O-CA 3.27Å; D344-L390 PolarHBondContact O-N 3.25Å
345F93.9Very high84.3Confident2 Ų234.3 Ų34.31%0.00918%0.175CC..  trans-74.9-5172.5-74.7-100.3000112.7I226 M230 A234 V272 F273 L274 I343 L347 L390I226-F345 HydrophobicContact CD1-CB 4.38Å; I226-F345 HydrophobicContact CD1-CD1 3.69Å; I226-F345 HydrophobicContact CD1-CE1 4.11Å; I226-F345 HydrophobicContact CD1-CG 4.03Å; I226-F345 HydrophobicContact CG1-CD1 3.92Å; I226-F345 HydrophobicContact CG1-CE1 4.38Å; I226-F345 HydrophobicContact CG2-CD1 3.79Å; I226-F345 HydrophobicContact CG2-CE1 3.41Å; I226-F345 VanDerWaalsContact CG2-CE1 3.41Å; I226-F345 HydrophobicContact CG2-CZ 4.37Å; M230-F345 HydrophobicContact CB-CE1 4Å; M230-F345 HydrophobicContact CE-CD1 4.19Å; A234-F345 HydrophobicContact CB-CE2 4.32Å; A234-F345 HydrophobicContact CB-CZ 3.95Å; V272-F345 HydrophobicContact CG1-CD2 4.3Å; V272-F345 HydrophobicContact CG1-CE2 3.85Å; F273-F345 WeakPolarHBondContact O-CD2 3.43Å; L274-F345 HydrophobicContact CD2-CD2 3.72Å; L274-F345 HydrophobicContact CD2-CE2 3.68Å; L274-F345 HydrophobicContact CD2-CG 4.28Å; L274-F345 HydrophobicContact CD2-CZ 4.2Å; I343-F345 HydrophobicContact CG2-CE2 4.23Å; F345-L347 PolarHBondContact O-N 3.16Å; F345-L347 VanDerWaalsContact O-N 3.11Å; F345-L390 HydrophobicContact CD1-CD1 3.71Å; F345-L390 HydrophobicContact CD2-CD1 3.93Å; F345-L390 HydrophobicContact CE1-CD1 3.44Å; F345-L390 VanDerWaalsContact CE1-CD1 3.44Å; F345-L390 HydrophobicContact CE2-CD1 3.68Å; F345-L390 HydrophobicContact CG-CD1 3.96Å; F345-L390 HydrophobicContact CZ-CD1 3.43Å; F345-L390 VanDerWaalsContact CZ-CD1 3.43Å
346C93.7Very high84.6Confident0 Ų034.7 Ų34.70%017%0.174CC..  trans59.918.8179.2-55.90000114.4D344 W366 A367 V391 I400D344-C346 PolarHBondContact O-N 2.76Å; D344-C346 WeakPolarHBondContact OD1-CA 3.42Å; D344-C346 PolarHBondContact OD1-N 3.28Å; C346-W366 HydrophobicContact CB-CE3 4.24Å; C346-W366 HydrophobicContact CB-CZ3 4.34Å; C346-A367 PolarHBondContact O-N 2.91Å; C346-V391 HydrophobicContact CB-CG1 4.03Å; C346-I400 HydrophobicContact CB-CD1 4.49Å
347L92.3Very high84.6Confident7 Ų734.6 Ų34.64%0.03717%0.174CC..EExtended strand (participates in β ladder)trans-105.5153.5175.8-66.6169.2000111.2L224 I226 P275 F345 L364 T365 W366 R375L224-L347 HydrophobicContact CD2-CD2 3.77Å; I226-L347 HydrophobicContact CD1-CD1 4.42Å; I226-L347 HydrophobicContact CG1-CD1 3.86Å; P275-L347 HydrophobicContact CB-CB 3.99Å; P275-L347 HydrophobicContact CG-CB 4.15Å; P275-L347 HydrophobicContact CG-CD1 4.49Å; F345-L347 PolarHBondContact O-N 3.16Å; F345-L347 VanDerWaalsContact O-N 3.11Å; L347-L364 HydrophobicContact CB-CD1 4.21Å; L347-T365 WeakPolarHBondContact CA-O 3.42Å; L347-W366 HydrophobicContact CD2-CD2 3.94Å; L347-W366 HydrophobicContact CD2-CE3 3.71Å; L347-W366 HydrophobicContact CD2-CH2 4.13Å; L347-W366 HydrophobicContact CD2-CZ2 4.34Å; L347-W366 HydrophobicContact CD2-CZ3 3.81Å; L347-W366 HydrophobicContact CG-CE3 4.33Å; L347-W366 HydrophobicContact CG-CZ3 4.16Å; L347-R375 PolarHBondContact O-NH1 3.28Å; L347-R375 VanDerWaalsContact O-NH1 3.14Å; L347-R375 PolarHBondContact O-NH2 2.83Å
348A89Confident84.9Confident6 Ų632 Ų325%0.0516%0.156CC..EExtended strand (participates in β ladder)trans-149.3159.8173.100000110.4L364 T365 A367A348-L364 WeakPolarHBondContact O-CD1 3.44Å; A348-T365 PolarHBondContact N-O 3.16Å; A348-T365 PolarHBondContact O-N 3.08Å; A348-T365 VanDerWaalsContact O-O 3.05Å; A348-A367 HydrophobicContact CB-CB 4.06Å
349R85.9Confident84.9Confident80 Ų8031.4 Ų31.430%0.30215%0.151SC..EExtended strand (participates in β ladder)trans-107.2130.3171.5-75.4-178.9-178.8-97.50.5109.5P275 E279 L362 R363 L364P275-R349 HydrophobicContact CB-CG 4.35Å; P275-R349 WeakPolarHBondContact O-CD 3.35Å; P275-R349 WeakPolarHBondContact O-CG 3.28Å; E279-R349 IonicContact OE1-NH2 2.87Å; E279-R349 PolarHBondContact OE1-NH2 2.86Å; R349-L362 HydrophobicContact CB-CD1 3.99Å; R349-L362 HydrophobicContact CB-CD2 4.14Å; R349-L362 HydrophobicContact CB-CG 3.89Å; R349-L362 HydrophobicContact CG-CG 4.44Å; R349-R363 CarbonylContact C-O 3.6Å; R349-R363 VanDerWaalsContact CA-O 3.26Å; R349-R363 WeakPolarHBondContact CA-O 3.41Å; R349-L364 HydrophobicContact CG-CD1 3.91Å
350H78.9Confident84.7Confident45 Ų4535.1 Ų35.121%0.20817%0.168CC..EExtended strand (participates in β ladder)trans-122.3146.9176.5-61.7-56.4000111.5R363 T365 M404H350-R363 PolarHBondContact N-O 3.39Å; H350-R363 PolarHBondContact O-N 2.7Å; H350-T365 PolarHBondContact CD2-OG1 2.95Å; H350-M404 PolarHBondContact CE1-SD 3.38Å; H350-M404 PolarHBondContact NE2-SD 3.21Å; H350-M404 VanDerWaalsContact NE2-SD 3.4Å
351L77.8Confident84.3Confident75 Ų7533.3 Ų33.339%0.39316%0.16SC..EExtended strand (participates in β ladder)trans-77.3127.1173-165.769.6000108.5Q360L351-Q360 HydrophobicContact CD1-CB 3.92Å; L351-Q360 HydrophobicContact CD1-CG 4.41Å; L351-Q360 HydrophobicContact CD2-CG 4.46Å; L351-Q360 HydrophobicContact CG-CB 4.48Å
352V77.6Confident83.6Confident33 Ų3337.4 Ų37.420%0.218%0.182CC..EExtended strand (participates in β ladder)trans-131.4135.4178.2-177.80000108S361 R363V352-S361 PolarHBondContact N-O 2.51Å; V352-S361 PolarHBondContact O-N 2.73Å; V352-R363 HydrophobicContact CB-CG 4.3Å; V352-R363 HydrophobicContact CG2-CB 4.27Å; V352-R363 HydrophobicContact CG2-CG 4.28Å
353C76.5Confident83Confident20 Ų2041.2 Ų41.214%0.13520%0.196CC..EExtended strand (participates in β ladder)trans-90.3134.7174.3-56.70000110.3K355 L410 P412C353-K355 PolarHBondContact O-N 2.88Å; C353-L410 PolarHBondContact SG-O 3.2Å; C353-P412 WeakPolarHBondContact SG-CD 2.88Å; C353-P412 VanDerWaalsContact SG-CG 3.55Å
354D78.1Confident82.6Confident20 Ų2042.5 Ų42.511%0.10720%0.203CC..  trans-65.5128.8171.3-168.548.9000109.5D356 T357 N358 Y359 R1056 I1089D354-D356 PolarHBondContact O-N 2.68Å; D354-T357 PolarHBondContact OD2-OG1 3.02Å; D354-N358 WeakPolarHBondContact O-CA 3.42Å; D354-N358 PolarHBondContact O-N 2.63Å; D354-Y359 PolarHBondContact N-O 2.91Å; D354-R1056 IonicContact OD2-CZ 2.81Å; D354-R1056 IonicContact OD2-NH1 3.87Å; D354-R1056 PolarHBondContact OD2-NH1 3.47Å; D354-R1056 IonicContact OD2-NH2 3.95Å; D354-R1056 PolarHBondContact OD2-NH2 2.81Å; D354-I1089 HydrophobicContact CB-CD1 3.74Å
355K73.5Confident82.2Confident181 Ų18144.6 Ų44.679%0.78722%0.216SC*.THydrogen-bonded Turntrans-66.7-27.3-174.6-68.1-173.7178.1-176.50112.8C353 R446C353-K355 PolarHBondContact O-N 2.88Å; K355-R446 PolarHBondContact O-NH1 3.42Å
356D74.8Confident82.1Confident84 Ų8446.1 Ų46.145%0.44922%0.222SC..THydrogen-bonded Turntrans-86.1-37.8-173.6-64.6-30.6000113.3D354 K1052D354-D356 PolarHBondContact O-N 2.68Å; D356-K1052 HydrophobicContact CB-CD 4.29Å; D356-K1052 WeakPolarHBondContact O-CD 3.41Å; D356-K1052 PolarHBondContact O-NZ 2.86Å
357T75.1Confident81.9Confident7 Ų746.1 Ų46.14%0.04322%0.222CC..THydrogen-bonded Turntrans-118.6-4.6-17574.20000114.1D354 Y359 K1052 T1053D354-T357 PolarHBondContact OD2-OG1 3.02Å; T357-Y359 VanDerWaalsContact O-CD1 3.23Å; T357-Y359 WeakPolarHBondContact O-CD1 3.35Å; T357-Y359 PolarHBondContact O-N 3.44Å; T357-Y359 WeakPolarHBondContact OG1-CD2 3.48Å; T357-Y359 VanDerWaalsContact OG1-CG 3.26Å; T357-Y359 PolarHBondContact OG1-N 2.87Å; T357-K1052 HydrophobicContact CG2-CB 4.31Å; T357-T1053 HydrophobicContact CG2-CG2 3.79Å
358N75.3Confident81.8Confident21 Ų2145.9 Ų45.911%0.11222%0.221CC..  trans5612.2-173.7-156.127.7000115.1D354 E450D354-N358 WeakPolarHBondContact O-CA 3.42Å; D354-N358 PolarHBondContact O-N 2.63Å; N358-E450 PolarHBondContact ND2-OE1 3.08Å; N358-E450 PolarHBondContact ND2-OE2 2.83Å
359Y82.8Confident81.9Confident30 Ų3047.2 Ų47.212%0.11823%0.225CC..  trans-72.6143.5176.4-63-13.7000110.1D354 T357 T1053 V1087 I1089 I1096D354-Y359 PolarHBondContact N-O 2.91Å; T357-Y359 VanDerWaalsContact O-CD1 3.23Å; T357-Y359 WeakPolarHBondContact O-CD1 3.35Å; T357-Y359 PolarHBondContact O-N 3.44Å; T357-Y359 WeakPolarHBondContact OG1-CD2 3.48Å; T357-Y359 VanDerWaalsContact OG1-CG 3.26Å; T357-Y359 PolarHBondContact OG1-N 2.87Å; Y359-T1053 HydrophobicContact CE2-CG2 3.94Å; Y359-V1087 HydrophobicContact CD1-CG1 4.33Å; Y359-V1087 HydrophobicContact CD2-CG1 3.63Å; Y359-V1087 HydrophobicContact CE1-CB 4.46Å; Y359-V1087 HydrophobicContact CE1-CG1 4.18Å; Y359-V1087 HydrophobicContact CE2-CG1 3.46Å; Y359-V1087 VanDerWaalsContact CE2-CG1 3.46Å; Y359-V1087 HydrophobicContact CG-CG1 4.07Å; Y359-I1089 VanDerWaalsContact CB-CD1 3.46Å; Y359-I1089 HydrophobicContact CD2-CD1 3.72Å; Y359-I1089 HydrophobicContact CD2-CG1 3.67Å; Y359-I1089 HydrophobicContact CG-CD1 4.05Å; Y359-I1089 HydrophobicContact CG-CG1 4.18Å; Y359-I1096 HydrophobicContact CE2-CD1 4.41Å
360Q82.8Confident81.9Confident79 Ų7944.4 Ų44.437%0.36922%0.217SC..EExtended strand (participates in β ladder)trans-80.8140.8-177.3-66.3-179.7-13.300111.7L351 P412 A1088 I1089L351-Q360 HydrophobicContact CD1-CB 3.92Å; L351-Q360 HydrophobicContact CD1-CG 4.41Å; L351-Q360 HydrophobicContact CD2-CG 4.46Å; L351-Q360 HydrophobicContact CG-CB 4.48Å; Q360-P412 HydrophobicContact CG-CG 4.36Å; Q360-A1088 WeakPolarHBondContact O-CA 3.41Å; Q360-I1089 PolarHBondContact O-N 3.01Å
361S82.1Confident82.3Confident4 Ų442.9 Ų42.93%0.02821%0.211CC..EExtended strand (participates in β ladder)trans-133.8134.5173.3-171.10000110.2V352 R363 I1089 N1090V352-S361 PolarHBondContact N-O 2.51Å; V352-S361 PolarHBondContact O-N 2.73Å; S361-R363 PolarHBondContact O-N 3.48Å; S361-I1089 VanDerWaalsContact CB-O 3.25Å; S361-I1089 WeakPolarHBondContact CB-O 3.46Å; S361-I1089 PolarHBondContact OG-O 3.49Å; S361-N1090 PolarHBondContact OG-O 2.98Å
362L80.3Confident82.9Confident91 Ų9139.3 Ų39.348%0.47619%0.192SC..EExtended strand (participates in β ladder)trans-91.196.8173.9-171.471.6000109.2R349R349-L362 HydrophobicContact CB-CD1 3.99Å; R349-L362 HydrophobicContact CB-CD2 4.14Å; R349-L362 HydrophobicContact CB-CG 3.89Å; R349-L362 HydrophobicContact CG-CG 4.44Å
363R81.7Confident83.4Confident80 Ų8040.8 Ų40.830%0.30220%0.199SC..EExtended strand (participates in β ladder)trans-92.1139.2-175.9-61.7-168.3177.9179.11.9111.3R349 H350 V352 S361 T1091R349-R363 CarbonylContact C-O 3.6Å; R349-R363 VanDerWaalsContact CA-O 3.26Å; R349-R363 WeakPolarHBondContact CA-O 3.41Å; H350-R363 PolarHBondContact N-O 3.39Å; H350-R363 PolarHBondContact O-N 2.7Å; V352-R363 HydrophobicContact CB-CG 4.3Å; V352-R363 HydrophobicContact CG2-CB 4.27Å; V352-R363 HydrophobicContact CG2-CG 4.28Å; S361-R363 PolarHBondContact O-N 3.48Å; R363-T1091 HydrophobicContact CG-CG2 4.32Å
364L86.6Confident83.8Confident28 Ų2840.5 Ų40.515%0.14720%0.196CC..EExtended strand (participates in β ladder)trans-77.7135.9169.9-171.557.2000107.9L224 P275 L347 A348 R349L224-L364 HydrophobicContact CB-CB 4.47Å; L224-L364 HydrophobicContact CB-CD2 3.99Å; L224-L364 HydrophobicContact CB-CG 4.02Å; L224-L364 WeakPolarHBondContact CD1-O 3.4Å; L224-L364 WeakPolarHBondContact O-CD2 3.2Å; P275-L364 HydrophobicContact CB-CD1 3.26Å; P275-L364 HydrophobicContact CG-CD1 3.77Å; L347-L364 HydrophobicContact CB-CD1 4.21Å; A348-L364 WeakPolarHBondContact O-CD1 3.44Å; R349-L364 HydrophobicContact CG-CD1 3.91Å
365T87.9Confident84.3Confident43 Ų4339.8 Ų39.826%0.26419%0.191SC..EExtended strand (participates in β ladder)trans-147167.8177.766.30000110L347 A348 H350L347-T365 WeakPolarHBondContact CA-O 3.42Å; A348-T365 PolarHBondContact N-O 3.16Å; A348-T365 PolarHBondContact O-N 3.08Å; A348-T365 VanDerWaalsContact O-O 3.05Å; H350-T365 PolarHBondContact CD2-OG1 2.95Å
366W90.9Very high85.1Confident34 Ų3433.3 Ų33.313%0.12916%0.163CC..EExtended strand (participates in β ladder)trans-66.5134.8164.7-62.7104.5000110.4P219 P221 L224 C346 L347 V391 F395 I400P219-W366 HydrophobicContact CB-CH2 3.75Å; P219-W366 HydrophobicContact CB-CZ2 4.07Å; P219-W366 HydrophobicContact CG-CH2 4.14Å; P221-W366 PolarHBondContact O-NE1 3.47Å; L224-W366 HydrophobicContact CD2-CD2 4.28Å; L224-W366 HydrophobicContact CD2-CG 4.19Å; L224-W366 HydrophobicContact CD2-CZ2 4.42Å; C346-W366 HydrophobicContact CB-CE3 4.24Å; C346-W366 HydrophobicContact CB-CZ3 4.34Å; L347-W366 HydrophobicContact CD2-CD2 3.94Å; L347-W366 HydrophobicContact CD2-CE3 3.71Å; L347-W366 HydrophobicContact CD2-CH2 4.13Å; L347-W366 HydrophobicContact CD2-CZ2 4.34Å; L347-W366 HydrophobicContact CD2-CZ3 3.81Å; L347-W366 HydrophobicContact CG-CE3 4.33Å; L347-W366 HydrophobicContact CG-CZ3 4.16Å; W366-V391 HydrophobicContact CH2-CG1 4.35Å; W366-V391 HydrophobicContact CZ3-CG1 3.77Å; W366-F395 AromaticContact CD2-CE1 3.85Å; W366-F395 HydrophobicContact CD2-CE1 3.85Å; W366-F395 HydrophobicContact CD2-CZ 4.03Å; W366-F395 AromaticContact CE2-CE1 3.78Å; W366-F395 AromaticContact CE2-CZ 3.49Å; W366-F395 VanDerWaalsContact CE2-CZ 3.49Å; W366-F395 AromaticContact CE3-CE1 3.92Å; W366-F395 HydrophobicContact CE3-CE1 3.92Å; W366-F395 HydrophobicContact CE3-CZ 4.47Å; W366-F395 AromaticContact CH2-CE1 3.92Å; W366-F395 HydrophobicContact CH2-CE1 3.92Å; W366-F395 HydrophobicContact CH2-CZ 4.01Å; W366-F395 AromaticContact CZ2-CE1 3.83Å; W366-F395 HydrophobicContact CZ2-CE1 3.83Å; W366-F395 HydrophobicContact CZ2-CE2 4.49Å; W366-F395 AromaticContact CZ2-CZ 3.49Å; W366-F395 HydrophobicContact CZ2-CZ 3.49Å; W366-F395 VanDerWaalsContact CZ2-CZ 3.49Å; W366-F395 AromaticContact CZ3-CE1 3.96Å; W366-F395 HydrophobicContact CZ3-CE1 3.96Å; W366-F395 HydrophobicContact CZ3-CZ 4.47Å; W366-F395 AromaticContact NE1-CZ 3.82Å; W366-I400 HydrophobicContact CB-CD1 3.9Å; W366-I400 HydrophobicContact CD2-CD1 4Å; W366-I400 HydrophobicContact CE3-CD1 3.7Å; W366-I400 HydrophobicContact CG-CD1 4.08Å
367A91.1Very high85.5Confident0 Ų029.8 Ų29.80%015%0.147CC..PPolyproline II helixtrans-72.9146.9172.200000109.6C346 A348 N371 I400C346-A367 PolarHBondContact O-N 2.91Å; A348-A367 HydrophobicContact CB-CB 4.06Å; A367-N371 HydrophobicContact CB-CB 4.29Å; A367-I400 WeakPolarHBondContact O-CG2 3.23Å
368S90.3Very high86Confident3 Ų329.9 Ų29.92%0.02115%0.146CC..PPolyproline II helixtrans-69.1158.6178.9740000112.2T370 N371 C372 P401S368-T370 PolarHBondContact O-N 3.47Å; S368-N371 WeakPolarHBondContact CB-OD1 3.42Å; S368-N371 PolarHBondContact N-OD1 3.07Å; S368-N371 WeakPolarHBondContact O-CB 3.39Å; S368-N371 PolarHBondContact O-N 3.08Å; S368-N371 VanDerWaalsContact OG-CG 3.27Å; S368-N371 PolarHBondContact OG-N 3.4Å; S368-N371 PolarHBondContact OG-OD1 2.97Å; S368-C372 PolarHBondContact O-N 3.1Å; S368-P401 CarbonylContact C-O 3.59Å; S368-P401 WeakPolarHBondContact CA-O 3.33Å; S368-P401 WeakPolarHBondContact CB-O 3.24Å
369K90.8Very high86.6Confident33 Ų3328.9 Ų28.914%0.14314%0.141CC..Hα-helixtrans-56.5-37.7174.4-61.7-164.5-162.51380111.3N371 C372 N373 W396 I400 P401 E402K369-N371 PolarHBondContact O-N 3.22Å; K369-C372 PolarHBondContact O-N 3.02Å; K369-N373 VanDerWaalsContact O-CB 3.28Å; K369-N373 WeakPolarHBondContact O-CB 3.23Å; K369-N373 PolarHBondContact O-N 3.43Å; K369-N373 PolarHBondContact O-ND2 3.18Å; K369-N373 VanDerWaalsContact O-ND2 3.14Å; K369-W396 VanDerWaalsContact CA-CH2 3.49Å; K369-W396 HydrophobicContact CB-CH2 3.6Å; K369-W396 HydrophobicContact CB-CZ2 3.81Å; K369-W396 HydrophobicContact CB-CZ3 4.41Å; K369-W396 HydrophobicContact CD-CH2 4.21Å; K369-W396 HydrophobicContact CD-CZ2 3.74Å; K369-W396 WeakPolarHBondContact CE-O 3.35Å; K369-W396 HydrophobicContact CG-CH2 3.6Å; K369-W396 HydrophobicContact CG-CZ2 3.67Å; K369-W396 HydrophobicContact CG-CZ3 4.05Å; K369-I400 VanDerWaalsContact CE-O 3.3Å; K369-I400 WeakPolarHBondContact CE-O 3.4Å; K369-I400 HydrophobicContact CG-CB 4.24Å; K369-I400 HydrophobicContact CG-CG2 3.57Å; K369-P401 PolarHBondContact N-O 3.03Å; K369-E402 VanDerWaalsContact CD-OE2 3.28Å; K369-E402 WeakPolarHBondContact CD-OE2 3.33Å; K369-E402 WeakPolarHBondContact CE-OE2 3.23Å; K369-E402 IonicContact NZ-OE2 3.48Å; K369-E402 PolarHBondContact NZ-OE2 3.22Å
370T85.3Confident86.3Confident22 Ų2227.4 Ų27.414%0.13514%0.135CC..Hα-helixtrans-58.3-45.2174.9-61.60000111.9T167 S368 N373 Q374 E402 Y403T167-T370 HydrophobicContact CG2-CG2 3.57Å; S368-T370 PolarHBondContact O-N 3.47Å; T370-N373 PolarHBondContact O-N 3.35Å; T370-Q374 WeakPolarHBondContact O-CG 3.37Å; T370-Q374 PolarHBondContact O-N 2.9Å; T370-E402 PolarHBondContact N-O 3.4Å; T370-E402 PolarHBondContact OG1-O 3.29Å; T370-Y403 VanDerWaalsContact OG1-CD1 3.29Å; T370-Y403 WeakPolarHBondContact OG1-CD1 3.37Å
371N87.4Confident85.8Confident13 Ų1326.7 Ų26.77%0.0713%0.129CC..Hα-helixtrans-64.8-49.7176.6-60.3121.1000111.6E331 A367 S368 K369 N373 Q374 R375 M404E331-N371 WeakPolarHBondContact OE1-CA 3.45Å; E331-N371 WeakPolarHBondContact OE1-CB 3.48Å; E331-N371 PolarHBondContact OE1-ND2 3.34Å; A367-N371 HydrophobicContact CB-CB 4.29Å; S368-N371 WeakPolarHBondContact CB-OD1 3.42Å; S368-N371 PolarHBondContact N-OD1 3.07Å; S368-N371 WeakPolarHBondContact O-CB 3.39Å; S368-N371 PolarHBondContact O-N 3.08Å; S368-N371 VanDerWaalsContact OG-CG 3.27Å; S368-N371 PolarHBondContact OG-N 3.4Å; S368-N371 PolarHBondContact OG-OD1 2.97Å; K369-N371 PolarHBondContact O-N 3.22Å; N371-N373 PolarHBondContact O-N 3.09Å; N371-Q374 WeakPolarHBondContact O-CA 3.42Å; N371-Q374 WeakPolarHBondContact O-CB 2.93Å; N371-Q374 PolarHBondContact O-N 2.64Å; N371-R375 WeakPolarHBondContact O-CG 3.4Å; N371-R375 PolarHBondContact O-N 3.35Å; N371-M404 WeakPolarHBondContact OD1-CG 3.41Å; N371-M404 PolarHBondContact OD1-SD 3.17Å
372C90.8Very high85.3Confident0 Ų030.2 Ų30.20%015%0.15CC..Hα-helixtrans-63.8-30.4-179.5-64.40000112.7D344 S368 K369 R375 K376 W396D344-C372 WeakPolarHBondContact OD2-CB 3.44Å; D344-C372 PolarHBondContact OD2-SG 3.14Å; S368-C372 PolarHBondContact O-N 3.1Å; K369-C372 PolarHBondContact O-N 3.02Å; C372-R375 WeakPolarHBondContact O-CB 3.29Å; C372-R375 PolarHBondContact O-N 3.11Å; C372-K376 WeakPolarHBondContact O-CB 3.36Å; C372-K376 PolarHBondContact O-N 2.97Å; C372-W396 HydrophobicContact CB-CH2 3.86Å; C372-W396 HydrophobicContact CB-CZ3 3.85Å
373N87.5Confident85.2Confident63 Ų6327.9 Ų27.934%0.33714%0.141SC..Hα-helixtrans-68.3-33.2172.5-73.2-24.8000112.5K369 T370 N371 K376 G377 R389K369-N373 VanDerWaalsContact O-CB 3.28Å; K369-N373 WeakPolarHBondContact O-CB 3.23Å; K369-N373 PolarHBondContact O-N 3.43Å; K369-N373 PolarHBondContact O-ND2 3.18Å; K369-N373 VanDerWaalsContact O-ND2 3.14Å; T370-N373 PolarHBondContact O-N 3.35Å; N371-N373 PolarHBondContact O-N 3.09Å; N373-K376 WeakPolarHBondContact O-CB 3.48Å; N373-G377 PolarHBondContact O-N 3.22Å; N373-R389 PolarHBondContact OD1-NH2 2.94Å
374Q85Confident85.3Confident15 Ų1528.4 Ų28.47%0.0715%0.146CC..Hα-helixtrans-68.2-41.5170.3-67.2176.843.700111.8H135 E331 S332 T370 N371 K376 G377H135-Q374 PolarHBondContact CD2-NE2 2.97Å; H135-Q374 PolarHBondContact NE2-NE2 2.72Å; E331-Q374 HydrophobicContact CG-CB 3.8Å; S332-Q374 PolarHBondContact OG-OE1 2.9Å; S332-Q374 VanDerWaalsContact OG-OE1 3.13Å; T370-Q374 WeakPolarHBondContact O-CG 3.37Å; T370-Q374 PolarHBondContact O-N 2.9Å; N371-Q374 WeakPolarHBondContact O-CA 3.42Å; N371-Q374 WeakPolarHBondContact O-CB 2.93Å; N371-Q374 PolarHBondContact O-N 2.64Å; Q374-K376 VanDerWaalsContact C-N 3.35Å; Q374-K376 PolarHBondContact O-N 3.46Å; Q374-G377 PolarHBondContact O-N 2.82Å; Q374-G377 VanDerWaalsContact O-N 3.16Å
375R89.5Confident85.5Confident4 Ų427 Ų272%0.01514%0.139CC..Hα-helixtrans-57.4-47.5173.4-63.7177.3-173.9-173.12.9110.9F273 E331 D344 L347 N371 C372 G377 R378F273-R375 HydrophobicContact CD1-CG 3.95Å; F273-R375 HydrophobicContact CD2-CB 3.77Å; F273-R375 HydrophobicContact CD2-CG 3.79Å; F273-R375 HydrophobicContact CE1-CG 3.77Å; F273-R375 HydrophobicContact CE2-CB 3.46Å; F273-R375 VanDerWaalsContact CE2-CB 3.46Å; F273-R375 HydrophobicContact CE2-CG 3.61Å; F273-R375 HydrophobicContact CG-CB 4.42Å; F273-R375 HydrophobicContact CG-CG 3.96Å; F273-R375 HydrophobicContact CZ-CB 3.89Å; F273-R375 HydrophobicContact CZ-CG 3.6Å; E331-R375 HydrophobicContact CG-CG 4.13Å; E331-R375 IonicContact OE2-NE 3.39Å; E331-R375 PolarHBondContact OE2-NE 2.8Å; E331-R375 IonicContact OE2-NH2 4Å; D344-R375 IonicContact OD1-CZ 3.69Å; D344-R375 IonicContact OD1-NH1 2.83Å; D344-R375 PolarHBondContact OD1-NH1 3.46Å; D344-R375 VanDerWaalsContact OD2-CD 3.24Å; D344-R375 WeakPolarHBondContact OD2-CD 3.45Å; D344-R375 IonicContact OD2-NH1 2.72Å; L347-R375 PolarHBondContact O-NH1 3.28Å; L347-R375 VanDerWaalsContact O-NH1 3.14Å; L347-R375 PolarHBondContact O-NH2 2.83Å; N371-R375 WeakPolarHBondContact O-CG 3.4Å; N371-R375 PolarHBondContact O-N 3.35Å; C372-R375 WeakPolarHBondContact O-CB 3.29Å; C372-R375 PolarHBondContact O-N 3.11Å; R375-G377 VanDerWaalsContact C-N 3.33Å; R375-G377 PolarHBondContact O-N 3.36Å; R375-R378 VanDerWaalsContact O-CB 3.3Å; R375-R378 WeakPolarHBondContact O-CB 3.43Å; R375-R378 WeakPolarHBondContact O-CG 3.39Å; R375-R378 PolarHBondContact O-N 3.3Å; R375-R378 VanDerWaalsContact O-N 3.14Å
376K89.2Confident85.7Confident46 Ų4626.5 Ų26.520%0.213%0.133CC..Hα-helixtrans-53.2-48.9172.8177-175.568.3167.10111.7I200 E202 C372 N373 Q374 R378 A379 C387I200-K376 HydrophobicContact CB-CG 4.37Å; I200-K376 HydrophobicContact CD1-CG 4.11Å; I200-K376 WeakPolarHBondContact CD1-O 3.32Å; I200-K376 HydrophobicContact CG2-CD 4.27Å; I200-K376 HydrophobicContact CG2-CG 3.72Å; E202-K376 HydrophobicContact CG-CD 3.59Å; E202-K376 WeakPolarHBondContact OE1-CD 3.42Å; E202-K376 WeakPolarHBondContact OE1-CE 3.16Å; E202-K376 IonicContact OE1-NZ 3.34Å; E202-K376 PolarHBondContact OE1-NZ 2.91Å; C372-K376 WeakPolarHBondContact O-CB 3.36Å; C372-K376 PolarHBondContact O-N 2.97Å; N373-K376 WeakPolarHBondContact O-CB 3.48Å; Q374-K376 VanDerWaalsContact C-N 3.35Å; Q374-K376 PolarHBondContact O-N 3.46Å; K376-R378 PolarHBondContact O-N 3.46Å; K376-A379 PolarHBondContact O-N 2.8Å; K376-C387 HydrophobicContact CB-CB 4.24Å; K376-C387 HydrophobicContact CG-CB 3.82Å
377G83.8Confident85.9Confident10 Ų1024.9 Ų24.910%0.10313%0.127CC..THydrogen-bonded Turntrans-57.2-13.4-179.500000115.1N373 Q374 R375 A379N373-G377 PolarHBondContact O-N 3.22Å; Q374-G377 PolarHBondContact O-N 2.82Å; Q374-G377 VanDerWaalsContact O-N 3.16Å; R375-G377 VanDerWaalsContact C-N 3.33Å; R375-G377 PolarHBondContact O-N 3.36Å; G377-A379 VanDerWaalsContact C-N 3.32Å
378R85.4Confident86.1Confident8 Ų825.3 Ų25.33%0.0313%0.128CC..THydrogen-bonded Turntrans-71.6-22.5174.5-57.1-65.8159.1170.6-21.4113.5L271 A330 E331 S332 V334 V342 R375 K376L271-R378 HydrophobicContact CD2-CB 3.99Å; L271-R378 HydrophobicContact CD2-CG 4.22Å; A330-R378 WeakPolarHBondContact O-CD 3.47Å; A330-R378 PolarHBondContact O-NE 3.07Å; E331-R378 VanDerWaalsContact C-CZ 3.47Å; E331-R378 VanDerWaalsContact C-NH2 3.31Å; E331-R378 PolarHBondContact O-NE 3.21Å; E331-R378 PolarHBondContact O-NH2 2.87Å; S332-R378 PolarHBondContact O-NH1 2.86Å; S332-R378 VanDerWaalsContact O-NH1 3.08Å; S332-R378 PolarHBondContact O-NH2 2.95Å; V334-R378 PolarHBondContact O-NH1 3.38Å; V342-R378 HydrophobicContact CG2-CB 4.2Å; R375-R378 VanDerWaalsContact O-CB 3.3Å; R375-R378 WeakPolarHBondContact O-CB 3.43Å; R375-R378 WeakPolarHBondContact O-CG 3.39Å; R375-R378 PolarHBondContact O-N 3.3Å; R375-R378 VanDerWaalsContact O-N 3.14Å; K376-R378 PolarHBondContact O-N 3.46Å
379A87.3Confident86.3Confident0 Ų025.1 Ų25.10%013%0.127CC..SBendtrans-84.4-20.3-179.800000114.9I200 V342 K376 G377 G385I200-A379 HydrophobicContact CG2-CB 4.39Å; V342-A379 HydrophobicContact CG2-CB 3.87Å; K376-A379 PolarHBondContact O-N 2.8Å; G377-A379 VanDerWaalsContact C-N 3.32Å; A379-G385 VanDerWaalsContact O-CA 3.27Å; A379-G385 WeakPolarHBondContact O-CA 3.46Å
380G76.3Confident86.3Confident0 Ų023.6 Ų23.60%012%0.121CC..SBendtrans-102.425.1-169.500000115.6P197 F198P197-G380 WeakPolarHBondContact CB-O 3.29Å; F198-G380 PolarHBondContact N-O 2.98Å
381R72.9Confident86.6Confident64 Ų6422.6 Ų22.624%0.24211%0.114CC..SBendtrans-87.5-40.8-170.5-70.5178.2172.2-133.80114.4
382V70.5Confident86.8Confident78 Ų7822.7 Ų22.747%0.47312%0.116SC..SBendtrans-116.4-22-173.9-680000113.4P337P337-V382 WeakPolarHBondContact O-CG1 3.38Å; P337-V382 WeakPolarHBondContact O-CG2 3.39Å
383S79.2Confident86.8Confident41 Ų4129.1 Ų29.129%0.28714%0.14SC..SBendtrans-158.6178.1-17967.10000110.5F198 G385F198-S383 VanDerWaalsContact CB-C 3.49Å; F198-S383 WeakPolarHBondContact CB-O 3.38Å; S383-G385 PolarHBondContact O-N 3.09Å
384K84Confident87Confident91 Ų9129 Ų2940%0.39615%0.147SC..  trans-54.3123170.6-176.3-177.2178.4-175.80109.8T199 E201 F386T199-K384 WeakPolarHBondContact O-CA 3.39Å; E201-K384 WeakPolarHBondContact OE1-CE 3.4Å; E201-K384 IonicContact OE1-NZ 3.31Å; E201-K384 PolarHBondContact OE1-NZ 3.13Å; K384-F386 HydrophobicContact CD-CZ 4.39Å
385G89.9Confident87.3Confident0 Ų028.9 Ų28.90%015%0.147CC..EExtended strand (participates in β ladder)trans-108164.7-174.400000113.4T199 I200 E201 K340 A379 S383T199-G385 PolarHBondContact O-N 2.84Å; I200-G385 WeakPolarHBondContact CA-O 3.35Å; E201-G385 PolarHBondContact N-O 2.85Å; K340-G385 WeakPolarHBondContact O-CA 3.47Å; A379-G385 VanDerWaalsContact O-CA 3.27Å; A379-G385 WeakPolarHBondContact O-CA 3.46Å; S383-G385 PolarHBondContact O-N 3.09Å
386F92.5Very high87.4Confident31 Ų3130 Ų3014%0.13615%0.151CC..EExtended strand (participates in β ladder)trans-134.2133.8177.2-57.3-88.1000110.7E201 F203 K340 Y341 V342 K384 Y388E201-F386 HydrophobicContact CB-CD1 3.98Å; E201-F386 HydrophobicContact CB-CE1 4.34Å; E201-F386 WeakPolarHBondContact OE2-CE1 2.99Å; F203-F386 AromaticContact CE2-CD1 3.99Å; F203-F386 HydrophobicContact CE2-CD1 3.99Å; K340-F386 PolarHBondContact O-N 2.77Å; Y341-F386 WeakPolarHBondContact CA-O 3.24Å; Y341-F386 HydrophobicContact CD1-CB 3.95Å; Y341-F386 AromaticContact CD1-CD2 3.95Å; Y341-F386 HydrophobicContact CD1-CD2 3.95Å; Y341-F386 HydrophobicContact CD1-CG 4.28Å; Y341-F386 HydrophobicContact CE1-CB 4.35Å; Y341-F386 AromaticContact CE1-CD2 3.55Å; Y341-F386 HydrophobicContact CE1-CD2 3.55Å; Y341-F386 HydrophobicContact CE1-CE2 4.18Å; Y341-F386 HydrophobicContact CE1-CG 4.17Å; V342-F386 PolarHBondContact N-O 2.86Å; K384-F386 HydrophobicContact CD-CZ 4.39Å; F386-Y388 HydrophobicContact CB-CE2 3.69Å
387C94.6Very high87.5Confident0 Ų031.9 Ų31.90%017%0.166CC..EExtended strand (participates in β ladder)trans-123.6123.3178.1-1760000110.6I200 E201 E202 F203 V342 K376I200-C387 HydrophobicContact CG2-CB 4.12Å; E201-C387 PolarHBondContact O-N 2.76Å; E202-C387 WeakPolarHBondContact CA-O 3.42Å; F203-C387 PolarHBondContact N-O 2.98Å; V342-C387 CarbonylContact O-C 3.47Å; V342-C387 WeakPolarHBondContact O-CA 3.49Å; K376-C387 HydrophobicContact CB-CB 4.24Å; K376-C387 HydrophobicContact CG-CB 3.82Å
388Y95.2Very high87.8Confident9 Ų937 Ų374%0.03519%0.192CC..EExtended strand (participates in β ladder)trans-111.3110-178.6-62-90.6000109.1F203 L208 L237 F241 Y341 V342 D344 F386F203-Y388 HydrophobicContact CB-CD1 3.78Å; F203-Y388 HydrophobicContact CB-CE1 4.09Å; F203-Y388 HydrophobicContact CD2-CD1 4.11Å; F203-Y388 AromaticContact CD2-CE1 3.73Å; F203-Y388 HydrophobicContact CD2-CE1 3.73Å; F203-Y388 HydrophobicContact CE2-CE1 4.43Å; F203-Y388 HydrophobicContact CG-CD1 4.16Å; F203-Y388 AromaticContact CG-CE1 3.95Å; F203-Y388 HydrophobicContact CG-CE1 3.95Å; L208-Y388 HydrophobicContact CD1-CD1 4.42Å; L208-Y388 HydrophobicContact CD2-CD1 3.8Å; L208-Y388 HydrophobicContact CD2-CE1 4.04Å; L237-Y388 HydrophobicContact CD1-CD1 4.31Å; L237-Y388 HydrophobicContact CD1-CG 4.3Å; L237-Y388 HydrophobicContact CD2-CD1 3.99Å; L237-Y388 HydrophobicContact CD2-CE1 4.04Å; F241-Y388 HydrophobicContact CE1-CD2 4.24Å; F241-Y388 HydrophobicContact CE1-CE1 4.36Å; F241-Y388 AromaticContact CE1-CE2 3.5Å; F241-Y388 HydrophobicContact CE1-CE2 3.5Å; F241-Y388 VanDerWaalsContact CE1-CE2 3.5Å; F241-Y388 AromaticContact CE1-CZ 3.57Å; F241-Y388 AromaticContact CZ-CD2 3.77Å; F241-Y388 HydrophobicContact CZ-CD2 3.77Å; F241-Y388 AromaticContact CZ-CE2 3.44Å; F241-Y388 HydrophobicContact CZ-CE2 3.44Å; F241-Y388 VanDerWaalsContact CZ-CE2 3.44Å; F241-Y388 AromaticContact CZ-CZ 3.98Å; Y341-Y388 HydrophobicContact CD1-CE2 4.17Å; V342-Y388 PolarHBondContact O-N 3.03Å; D344-Y388 PolarHBondContact N-O 2.75Å; F386-Y388 HydrophobicContact CB-CE2 3.69Å
389R94.6Very high88.1Confident0 Ų041.1 Ų41.10%021%0.211CC..EExtended strand (participates in β ladder)trans-96.5120.8178.5-63.1169-177.2-90.812.4108.9E202 F203 Y204 L205 D344 N373 V391 W396E202-R389 IonicContact OE2-CZ 3.34Å; E202-R389 IonicContact OE2-NE 3.28Å; E202-R389 PolarHBondContact OE2-NE 3.21Å; E202-R389 VanDerWaalsContact OE2-NE 3.1Å; E202-R389 IonicContact OE2-NH2 3.67Å; E202-R389 PolarHBondContact OE2-NH2 3.26Å; E202-R389 VanDerWaalsContact OE2-NH2 3.09Å; F203-R389 PolarHBondContact O-N 3.05Å; Y204-R389 CarbonylContact C-O 3.53Å; Y204-R389 WeakPolarHBondContact CA-O 3.22Å; Y204-R389 HydrophobicContact CD1-CB 4.23Å; Y204-R389 HydrophobicContact CE1-CB 4.41Å; Y204-R389 VanDerWaalsContact CE1-CD 3.44Å; L205-R389 PolarHBondContact N-O 2.96Å; D344-R389 WeakPolarHBondContact O-CA 3.27Å; N373-R389 PolarHBondContact OD1-NH2 2.94Å; R389-V391 HydrophobicContact CB-CG2 4.25Å; R389-V391 PolarHBondContact O-N 2.83Å; R389-W396 VanDerWaalsContact CZ-CH2 3.49Å
390L92.1Very high88.3Confident1 Ų141.4 Ų41.41%0.00521%0.213CC..SBendtrans-84.744-177.3-55.8-175.1000112.4L208 M230 L233 A234 L237 I343 D344 F345L208-L390 HydrophobicContact CD1-CD2 4.09Å; M230-L390 HydrophobicContact CE-CB 3.92Å; M230-L390 WeakPolarHBondContact CE-O 3.3Å; L233-L390 HydrophobicContact CD2-CD2 3.95Å; A234-L390 HydrophobicContact CB-CD1 4.44Å; L237-L390 HydrophobicContact CD1-CD2 4.26Å; I343-L390 HydrophobicContact CG2-CD1 3.93Å; I343-L390 HydrophobicContact CG2-CG 4.22Å; D344-L390 PolarHBondContact O-N 3.25Å; F345-L390 HydrophobicContact CD1-CD1 3.71Å; F345-L390 HydrophobicContact CD2-CD1 3.93Å; F345-L390 HydrophobicContact CE1-CD1 3.44Å; F345-L390 VanDerWaalsContact CE1-CD1 3.44Å; F345-L390 HydrophobicContact CE2-CD1 3.68Å; F345-L390 HydrophobicContact CG-CD1 3.96Å; F345-L390 HydrophobicContact CZ-CD1 3.43Å; F345-L390 VanDerWaalsContact CZ-CD1 3.43Å
391V91.4Very high89Confident0 Ų044.2 Ų44.20%023%0.231CC..SBendtrans-135.8155.3173.6-63.60000109L205 P219 C346 W366 R389 F395 W396L205-V391 WeakPolarHBondContact CB-O 3.34Å; L205-V391 PolarHBondContact N-O 3.03Å; P219-V391 HydrophobicContact CG-CG1 4.25Å; C346-V391 HydrophobicContact CB-CG1 4.03Å; W366-V391 HydrophobicContact CH2-CG1 4.35Å; W366-V391 HydrophobicContact CZ3-CG1 3.77Å; R389-V391 HydrophobicContact CB-CG2 4.25Å; R389-V391 PolarHBondContact O-N 2.83Å; V391-F395 HydrophobicContact CB-CD1 4.03Å; V391-F395 HydrophobicContact CG1-CD1 4.05Å; V391-F395 HydrophobicContact CG1-CE1 4.38Å; V391-W396 HydrophobicContact CG2-CB 4.33Å
392T90.8Very high89.6Confident16 Ų1645.1 Ų45.110%0.09824%0.238CC..  trans-72.7157.5175.3660000110.7L205 D206 P218 A394 F395 W396L205-T392 HydrophobicContact CB-CG2 4.37Å; L205-T392 HydrophobicContact CD2-CG2 4.18Å; D206-T392 WeakPolarHBondContact OD1-CB 3.29Å; D206-T392 VanDerWaalsContact OD1-CG2 3.27Å; D206-T392 WeakPolarHBondContact OD1-CG2 3.33Å; D206-T392 VanDerWaalsContact OD2-CA 3.27Å; D206-T392 WeakPolarHBondContact OD2-CA 3.33Å; D206-T392 VanDerWaalsContact OD2-CB 3.25Å; D206-T392 WeakPolarHBondContact OD2-CB 3.14Å; P218-T392 HydrophobicContact CB-CG2 3.92Å; T392-A394 VanDerWaalsContact C-N 3.27Å; T392-A394 PolarHBondContact O-N 3.23Å; T392-F395 PolarHBondContact O-N 3.08Å; T392-F395 VanDerWaalsContact OG1-CB 3.26Å; T392-F395 WeakPolarHBondContact OG1-CB 3.38Å; T392-F395 PolarHBondContact OG1-N 3.31Å; T392-W396 PolarHBondContact O-N 2.87Å
393R91.7Very high90.3Very high135 Ų13546.4 Ų46.451%0.50924%0.235SC..Hα-helixtrans-64.7-35.7178.7-166.7-179.6-85.9-1063.4111.2Y204 D206 W396 T397Y204-R393 HydrophobicContact CD1-CB 4.37Å; Y204-R393 HydrophobicContact CD2-CG 4.46Å; Y204-R393 HydrophobicContact CG-CB 4.15Å; D206-R393 PolarHBondContact OD2-N 3.5Å; R393-W396 PolarHBondContact O-N 3.01Å; R393-T397 PolarHBondContact O-N 3.21Å; R393-T397 VanDerWaalsContact O-N 3.09Å; R393-T397 PolarHBondContact O-OG1 3.23Å
394A90.9Very high90.4Very high60 Ų6048 Ų4850%0.49624%0.239SC..Hα-helixtrans-63-45173.900000112.1T392 T397 N398T392-A394 VanDerWaalsContact C-N 3.27Å; T392-A394 PolarHBondContact O-N 3.23Å; A394-T397 PolarHBondContact O-N 2.82Å; A394-N398 PolarHBondContact O-N 3.22Å; A394-N398 VanDerWaalsContact O-N 3.09Å; A394-N398 PolarHBondContact O-ND2 2.98Å
395F91Very high90.4Very high13 Ų1348.7 Ų48.76%0.05725%0.245CC..Hα-helixtrans-63.5-42.3176.7-169-88.8000111.6P219 P221 W366 V391 T392 T397 N398 E399 I400P219-F395 HydrophobicContact CG-CD2 4.39Å; P219-F395 HydrophobicContact CG-CE2 4.5Å; P219-F395 HydrophobicContact CG-CG 4.41Å; P219-F395 VanDerWaalsContact O-CD2 3.31Å; P219-F395 WeakPolarHBondContact O-CD2 3.4Å; P219-F395 WeakPolarHBondContact O-CE2 3.42Å; P221-F395 HydrophobicContact CG-CE2 3.99Å; W366-F395 AromaticContact CD2-CE1 3.85Å; W366-F395 HydrophobicContact CD2-CE1 3.85Å; W366-F395 HydrophobicContact CD2-CZ 4.03Å; W366-F395 AromaticContact CE2-CE1 3.78Å; W366-F395 AromaticContact CE2-CZ 3.49Å; W366-F395 VanDerWaalsContact CE2-CZ 3.49Å; W366-F395 AromaticContact CE3-CE1 3.92Å; W366-F395 HydrophobicContact CE3-CE1 3.92Å; W366-F395 HydrophobicContact CE3-CZ 4.47Å; W366-F395 AromaticContact CH2-CE1 3.92Å; W366-F395 HydrophobicContact CH2-CE1 3.92Å; W366-F395 HydrophobicContact CH2-CZ 4.01Å; W366-F395 AromaticContact CZ2-CE1 3.83Å; W366-F395 HydrophobicContact CZ2-CE1 3.83Å; W366-F395 HydrophobicContact CZ2-CE2 4.49Å; W366-F395 AromaticContact CZ2-CZ 3.49Å; W366-F395 HydrophobicContact CZ2-CZ 3.49Å; W366-F395 VanDerWaalsContact CZ2-CZ 3.49Å; W366-F395 AromaticContact CZ3-CE1 3.96Å; W366-F395 HydrophobicContact CZ3-CE1 3.96Å; W366-F395 HydrophobicContact CZ3-CZ 4.47Å; W366-F395 AromaticContact NE1-CZ 3.82Å; V391-F395 HydrophobicContact CB-CD1 4.03Å; V391-F395 HydrophobicContact CG1-CD1 4.05Å; V391-F395 HydrophobicContact CG1-CE1 4.38Å; T392-F395 PolarHBondContact O-N 3.08Å; T392-F395 VanDerWaalsContact OG1-CB 3.26Å; T392-F395 WeakPolarHBondContact OG1-CB 3.38Å; T392-F395 PolarHBondContact OG1-N 3.31Å; F395-T397 VanDerWaalsContact C-N 3.33Å; F395-T397 PolarHBondContact O-N 2.87Å; F395-N398 PolarHBondContact O-N 3.04Å; F395-E399 HydrophobicContact CD1-CB 4.16Å; F395-E399 HydrophobicContact CD2-CB 3.93Å; F395-E399 HydrophobicContact CD2-CG 3.67Å; F395-E399 HydrophobicContact CE1-CB 4.01Å; F395-E399 HydrophobicContact CE2-CB 3.77Å; F395-E399 HydrophobicContact CE2-CG 3.75Å; F395-E399 HydrophobicContact CG-CB 4.11Å; F395-E399 HydrophobicContact CG-CG 4.17Å; F395-E399 HydrophobicContact CZ-CB 3.8Å; F395-E399 HydrophobicContact CZ-CG 4.31Å; F395-E399 WeakPolarHBondContact O-CB 3.26Å; F395-E399 PolarHBondContact O-N 3.12Å; F395-I400 HydrophobicContact CD1-CD1 4.04Å; F395-I400 HydrophobicContact CD1-CG1 4.06Å; F395-I400 HydrophobicContact CE1-CD1 3.66Å; F395-I400 HydrophobicContact CE1-CG1 4.14Å; F395-I400 PolarHBondContact O-N 3.33Å
396W92.2Very high90.2Very high26 Ų2649.3 Ų49.310%0.09825%0.25CC..Hα-helixtrans-58.5-41.7175.4173.5-99.6000113Y204 K369 C372 R389 V391 T392 R393 I400Y204-W396 HydrophobicContact CD1-CB 4.18Å; Y204-W396 HydrophobicContact CD1-CG 4.49Å; Y204-W396 HydrophobicContact CE1-CB 3.67Å; Y204-W396 AromaticContact CE1-CD1 3.83Å; Y204-W396 HydrophobicContact CE1-CD2 4.01Å; Y204-W396 AromaticContact CE1-CG 3.53Å; Y204-W396 HydrophobicContact CE1-CG 3.53Å; Y204-W396 PolarHBondContact OH-NE1 2.9Å; K369-W396 VanDerWaalsContact CA-CH2 3.49Å; K369-W396 HydrophobicContact CB-CH2 3.6Å; K369-W396 HydrophobicContact CB-CZ2 3.81Å; K369-W396 HydrophobicContact CB-CZ3 4.41Å; K369-W396 HydrophobicContact CD-CH2 4.21Å; K369-W396 HydrophobicContact CD-CZ2 3.74Å; K369-W396 WeakPolarHBondContact CE-O 3.35Å; K369-W396 HydrophobicContact CG-CH2 3.6Å; K369-W396 HydrophobicContact CG-CZ2 3.67Å; K369-W396 HydrophobicContact CG-CZ3 4.05Å; C372-W396 HydrophobicContact CB-CH2 3.86Å; C372-W396 HydrophobicContact CB-CZ3 3.85Å; R389-W396 VanDerWaalsContact CZ-CH2 3.49Å; V391-W396 HydrophobicContact CG2-CB 4.33Å; T392-W396 PolarHBondContact O-N 2.87Å; R393-W396 PolarHBondContact O-N 3.01Å; W396-I400 HydrophobicContact CE3-CB 4.2Å; W396-I400 HydrophobicContact CE3-CG1 3.97Å; W396-I400 HydrophobicContact CE3-CG2 4.11Å; W396-I400 HydrophobicContact CZ3-CG2 3.91Å
397T92Very high89.8Confident86 Ų8652.7 Ų52.753%0.52827%0.266SS..Hα-helixtrans-72.3-41.8-179.1-60.70000112.5R393 A394 F395R393-T397 PolarHBondContact O-N 3.21Å; R393-T397 VanDerWaalsContact O-N 3.09Å; R393-T397 PolarHBondContact O-OG1 3.23Å; A394-T397 PolarHBondContact O-N 2.82Å; F395-T397 VanDerWaalsContact C-N 3.33Å; F395-T397 PolarHBondContact O-N 2.87Å
398N90.4Very high89.4Confident119 Ų11952.8 Ų52.864%0.63627%0.266SS*.Hα-helixtrans-99.5-33.4-166.3-61.2-22.1000114.3A394 F395A394-N398 PolarHBondContact O-N 3.22Å; A394-N398 VanDerWaalsContact O-N 3.09Å; A394-N398 PolarHBondContact O-ND2 2.98Å; F395-N398 PolarHBondContact O-N 3.04Å
399E90.8Very high89Confident94 Ų9455.5 Ų55.544%0.43928%0.28SS..THydrogen-bonded Turntrans-109.5-31.1-167.6-54.9-60.3150.500113.2P221 F395 P401P221-E399 HydrophobicContact CG-CG 3.99Å; P221-E399 VanDerWaalsContact CG-OE2 3.28Å; P221-E399 WeakPolarHBondContact CG-OE2 3.36Å; F395-E399 HydrophobicContact CD1-CB 4.16Å; F395-E399 HydrophobicContact CD2-CB 3.93Å; F395-E399 HydrophobicContact CD2-CG 3.67Å; F395-E399 HydrophobicContact CE1-CB 4.01Å; F395-E399 HydrophobicContact CE2-CB 3.77Å; F395-E399 HydrophobicContact CE2-CG 3.75Å; F395-E399 HydrophobicContact CG-CB 4.11Å; F395-E399 HydrophobicContact CG-CG 4.17Å; F395-E399 HydrophobicContact CZ-CB 3.8Å; F395-E399 HydrophobicContact CZ-CG 4.31Å; F395-E399 WeakPolarHBondContact O-CB 3.26Å; F395-E399 PolarHBondContact O-N 3.12Å; E399-P401 WeakPolarHBondContact O-CD 3.32Å
400I90.8Very high88.3Confident6 Ų658.3 Ų58.33%0.03129%0.294CS..SBendtrans-74.9123.3-179.4-60.9-66.8000110.4C346 W366 A367 K369 F395 W396C346-I400 HydrophobicContact CB-CD1 4.49Å; W366-I400 HydrophobicContact CB-CD1 3.9Å; W366-I400 HydrophobicContact CD2-CD1 4Å; W366-I400 HydrophobicContact CE3-CD1 3.7Å; W366-I400 HydrophobicContact CG-CD1 4.08Å; A367-I400 WeakPolarHBondContact O-CG2 3.23Å; K369-I400 VanDerWaalsContact CE-O 3.3Å; K369-I400 WeakPolarHBondContact CE-O 3.4Å; K369-I400 HydrophobicContact CG-CB 4.24Å; K369-I400 HydrophobicContact CG-CG2 3.57Å; F395-I400 HydrophobicContact CD1-CD1 4.04Å; F395-I400 HydrophobicContact CD1-CG1 4.06Å; F395-I400 HydrophobicContact CE1-CD1 3.66Å; F395-I400 HydrophobicContact CE1-CG1 4.14Å; F395-I400 PolarHBondContact O-N 3.33Å; W396-I400 HydrophobicContact CE3-CB 4.2Å; W396-I400 HydrophobicContact CE3-CG1 3.97Å; W396-I400 HydrophobicContact CE3-CG2 4.11Å; W396-I400 HydrophobicContact CZ3-CG2 3.91Å
401P90.5Very high87.4Confident59 Ų5959.4 Ų59.438%0.38330%0.303SS..  trans-68.5145.4-178.827-33.5000111.7S368 K369 E399S368-P401 CarbonylContact C-O 3.59Å; S368-P401 WeakPolarHBondContact CA-O 3.33Å; S368-P401 WeakPolarHBondContact CB-O 3.24Å; K369-P401 PolarHBondContact N-O 3.03Å; E399-P401 WeakPolarHBondContact O-CD 3.32Å
402E87Confident86.8Confident82 Ų8260.9 Ų60.938%0.38331%0.313SS..SBendtrans-67.8-42.2-177.7-16264.1-14300112.4K369 T370K369-E402 VanDerWaalsContact CD-OE2 3.28Å; K369-E402 WeakPolarHBondContact CD-OE2 3.33Å; K369-E402 WeakPolarHBondContact CE-OE2 3.23Å; K369-E402 IonicContact NZ-OE2 3.48Å; K369-E402 PolarHBondContact NZ-OE2 3.22Å; T370-E402 PolarHBondContact N-O 3.4Å; T370-E402 PolarHBondContact OG1-O 3.29Å
403Y83.8Confident86.6Confident105 Ų10560.2 Ų60.241%0.41231%0.309SS..SBendtrans-132.2157.2-176.3-53.9-70.1000110.9N169 T370N169-Y403 HydrophobicContact CB-CE1 4.07Å; T370-Y403 VanDerWaalsContact OG1-CD1 3.29Å; T370-Y403 WeakPolarHBondContact OG1-CD1 3.37Å
404M81.4Confident86.5Confident75 Ų7554.8 Ų54.837%0.36929%0.292SS..PPolyproline II helixtrans-82151168.3-67.3-156.5-66.700110.9H350 N371H350-M404 PolarHBondContact CE1-SD 3.38Å; H350-M404 PolarHBondContact NE2-SD 3.21Å; H350-M404 VanDerWaalsContact NE2-SD 3.4Å; N371-M404 WeakPolarHBondContact OD1-CG 3.41Å; N371-M404 PolarHBondContact OD1-SD 3.17Å
405I84.2Confident86.4Confident105 Ų10554.9 Ų54.954%0.53829%0.286SS..PPolyproline II helixtrans-68.6128.1166.5-57.8172.4000107.5Q409 L410I405-Q409 HydrophobicContact CG2-CB 4.09Å; I405-L410 HydrophobicContact CB-CD1 4.01Å; I405-L410 HydrophobicContact CB-CG 4.41Å; I405-L410 HydrophobicContact CG2-CD1 4.03Å; I405-L410 HydrophobicContact CG2-CD2 4.05Å; I405-L410 HydrophobicContact CG2-CG 3.86Å
406P86.6Confident86.3Confident14 Ų1454.4 Ų54.49%0.09128%0.284CS..PPolyproline II helixtrans-57.3143.2178.8-26.836.2000112.9R137 M408 Q409R137-P406 HydrophobicContact CB-CB 4.2Å; R137-P406 HydrophobicContact CB-CG 4.49Å; P406-M408 PolarHBondContact O-N 3.47Å; P406-Q409 PolarHBondContact O-N 3.31Å
407E84.8Confident86.3Confident102 Ų10253.1 Ų53.148%0.47728%0.279SS..G310 helixtrans-61.5-30.5-177.8-71-176.216800112.6R137 S138 E139 Q409 L410 A411R137-E407 PolarHBondContact O-N 3.17Å; R137-E407 VanDerWaalsContact O-N 3.15Å; S138-E407 VanDerWaalsContact CA-OE2 3.31Å; S138-E407 WeakPolarHBondContact CA-OE2 3.36Å; S138-E407 WeakPolarHBondContact CB-OE2 3.38Å; E139-E407 HydrophobicContact CB-CB 4.3Å; E139-E407 PolarHBondContact N-OE2 3.46Å; E407-Q409 PolarHBondContact O-N 3.05Å; E407-L410 PolarHBondContact O-N 3.17Å; E407-A411 VanDerWaalsContact O-CB 3.31Å; E407-A411 WeakPolarHBondContact O-CB 3.48Å; E407-A411 PolarHBondContact O-N 3.06Å
408M86.3Confident86.3Confident1 Ų149.1 Ų49.11%0.00525%0.254CS..G310 helixtrans-53.2-24.9174-174.764.567.800113.4E139 D142 F143 P406 L413 S437E139-M408 HydrophobicContact CG-CE 3.96Å; E139-M408 HydrophobicContact CG-SD 4.22Å; E139-M408 WeakPolarHBondContact O-CE 3.41Å; D142-M408 HydrophobicContact CB-CB 4.5Å; D142-M408 HydrophobicContact CB-CE 4.03Å; F143-M408 HydrophobicContact CB-CE 3.89Å; P406-M408 PolarHBondContact O-N 3.47Å; M408-L413 HydrophobicContact SD-CD2 3.85Å; M408-S437 WeakPolarHBondContact CG-O 3.43Å
409Q86.2Confident86.3Confident67 Ų6744.7 Ų44.731%0.31323%0.229SC..G310 helixtrans-96.5-8.8179.6-62.5-173.5-37.800113.8I405 P406 E407 P438I405-Q409 HydrophobicContact CG2-CB 4.09Å; P406-Q409 PolarHBondContact O-N 3.31Å; E407-Q409 PolarHBondContact O-N 3.05Å; Q409-P438 PolarHBondContact NE2-O 2.7Å
410L79.9Confident86.3Confident58 Ų5840.2 Ų40.230%0.30421%0.209SC..THydrogen-bonded Turntrans-120.1-26.8-172.6-62.5179.7000113.7C353 I405 E407C353-L410 PolarHBondContact SG-O 3.2Å; I405-L410 HydrophobicContact CB-CD1 4.01Å; I405-L410 HydrophobicContact CB-CG 4.41Å; I405-L410 HydrophobicContact CG2-CD1 4.03Å; I405-L410 HydrophobicContact CG2-CD2 4.05Å; I405-L410 HydrophobicContact CG2-CG 3.86Å; E407-L410 PolarHBondContact O-N 3.17Å
411A73.5Confident86.3Confident24 Ų2441.7 Ų41.720%0.19822%0.215CC..SBendtrans-88.3156-174.400000112.5E407 L413E407-A411 VanDerWaalsContact O-CB 3.31Å; E407-A411 WeakPolarHBondContact O-CB 3.48Å; E407-A411 PolarHBondContact O-N 3.06Å; A411-L413 PolarHBondContact O-N 2.87Å
412P77.9Confident86.3Confident31 Ų3140.2 Ų40.220%0.20120%0.204CC..  trans-67.3129.8171.2-13.929.6000110.7C353 Q360 S414C353-P412 WeakPolarHBondContact SG-CD 2.88Å; C353-P412 VanDerWaalsContact SG-CG 3.55Å; Q360-P412 HydrophobicContact CG-CG 4.36Å; P412-S414 VanDerWaalsContact C-N 3.31Å; P412-S414 PolarHBondContact O-N 2.77Å
413L86.2Confident86.4Confident3 Ų336.4 Ų36.42%0.01619%0.186CC..  trans-87.15.2-170.6-60.3170.9000113.9M408 A411 T415 I416 L417 P439 D443 I444 T447M408-L413 HydrophobicContact SD-CD2 3.85Å; A411-L413 PolarHBondContact O-N 2.87Å; L413-T415 PolarHBondContact O-N 2.9Å; L413-I416 PolarHBondContact O-N 3.22Å; L413-I416 VanDerWaalsContact O-N 3.11Å; L413-L417 WeakPolarHBondContact O-CB 3.28Å; L413-L417 PolarHBondContact O-N 3.46Å; L413-P439 HydrophobicContact CD1-CB 3.53Å; L413-P439 HydrophobicContact CD1-CG 3.78Å; L413-P439 HydrophobicContact CD2-CB 4.38Å; L413-D443 HydrophobicContact CD1-CB 4.44Å; L413-I444 HydrophobicContact CD1-CG1 4.09Å; L413-T447 HydrophobicContact CB-CG2 4.15Å
414S89.4Confident86.5Confident21 Ų2137.2 Ų37.215%0.14720%0.197CC..Hα-helixtrans-58.9-44.5-165.5-40.10000112.7P412 L417 L418 T447P412-S414 VanDerWaalsContact C-N 3.31Å; P412-S414 PolarHBondContact O-N 2.77Å; S414-L417 PolarHBondContact O-N 3.4Å; S414-L418 PolarHBondContact O-N 3.13Å; S414-T447 VanDerWaalsContact CA-CG2 3.41Å
415T89Confident86.6Confident62 Ų6236.7 Ų36.738%0.3820%0.195SC..Hα-helixtrans-68.1-40.5177.3-59.50000112L413 L418 K419L413-T415 PolarHBondContact O-N 2.9Å; T415-L418 PolarHBondContact O-N 2.8Å; T415-K419 WeakPolarHBondContact O-CG 3.41Å; T415-K419 PolarHBondContact O-N 3.1Å
416I89.4Confident86.5Confident2 Ų234.3 Ų34.31%0.0120%0.196CC..Hα-helixtrans-66.2-40.8176.9-67.3-60.3000110.8E139 F143 L413 L418 K419 V420 L432E139-I416 HydrophobicContact CG-CD1 4.15Å; E139-I416 HydrophobicContact CG-CG1 3.62Å; E139-I416 WeakPolarHBondContact OE1-CG1 3.49Å; F143-I416 HydrophobicContact CB-CD1 3.93Å; F143-I416 HydrophobicContact CD1-CD1 3.76Å; F143-I416 HydrophobicContact CD1-CG2 4.23Å; F143-I416 HydrophobicContact CD2-CG2 3.74Å; F143-I416 HydrophobicContact CE1-CG2 4.42Å; F143-I416 HydrophobicContact CE2-CG2 3.96Å; F143-I416 HydrophobicContact CG-CD1 3.93Å; F143-I416 HydrophobicContact CG-CG2 3.91Å; F143-I416 HydrophobicContact CZ-CG2 4.3Å; L413-I416 PolarHBondContact O-N 3.22Å; L413-I416 VanDerWaalsContact O-N 3.11Å; I416-L418 VanDerWaalsContact C-N 3.31Å; I416-L418 PolarHBondContact O-N 2.66Å; I416-K419 HydrophobicContact CD1-CD 4.44Å; I416-K419 CarbonylContact O-C 3.54Å; I416-K419 WeakPolarHBondContact O-CA 3.43Å; I416-K419 WeakPolarHBondContact O-CB 3.06Å; I416-K419 PolarHBondContact O-N 2.99Å; I416-K419 VanDerWaalsContact O-N 3.07Å; I416-V420 HydrophobicContact CG2-CG2 4.23Å; I416-V420 WeakPolarHBondContact O-CG2 3.34Å; I416-V420 PolarHBondContact O-N 2.66Å; I416-L432 HydrophobicContact CG2-CD2 4.22Å
417L91.8Very high86.4Confident0 Ų036.7 Ų36.70%021%0.208CC..Hα-helixtrans-63-38.3-180-155.282.5000112L413 S414 V420 K421 P428 L432 I444 T447 V448 L451 L457L413-L417 WeakPolarHBondContact O-CB 3.28Å; L413-L417 PolarHBondContact O-N 3.46Å; S414-L417 PolarHBondContact O-N 3.4Å; L417-V420 WeakPolarHBondContact O-CB 3.35Å; L417-V420 PolarHBondContact O-N 3.31Å; L417-K421 WeakPolarHBondContact O-CG 3.11Å; L417-K421 PolarHBondContact O-N 3.29Å; L417-P428 HydrophobicContact CD1-CB 3.65Å; L417-P428 HydrophobicContact CD1-CG 4.34Å; L417-P428 HydrophobicContact CG-CB 4.49Å; L417-L432 HydrophobicContact CD1-CD1 4.05Å; L417-I444 HydrophobicContact CD1-CG2 4.09Å; L417-T447 HydrophobicContact CB-CG2 4.3Å; L417-T447 HydrophobicContact CD2-CG2 4.25Å; L417-V448 HydrophobicContact CD2-CB 4.38Å; L417-V448 HydrophobicContact CD2-CG2 3.54Å; L417-L451 HydrophobicContact CB-CD1 3.89Å; L417-L451 HydrophobicContact CD2-CD1 3.57Å; L417-L451 HydrophobicContact CG-CD1 4.29Å; L417-L457 HydrophobicContact CD2-CD1 4.33Å
418L92.1Very high86.5Confident1 Ų131.9 Ų31.91%0.00519%0.186CC..Hα-helixtrans-64.5-40.1172.3-69.9179.5000112.3S414 T415 I416 K421 L422 L451 A456 L472 L479 A480 L486S414-L418 PolarHBondContact O-N 3.13Å; T415-L418 PolarHBondContact O-N 2.8Å; I416-L418 VanDerWaalsContact C-N 3.31Å; I416-L418 PolarHBondContact O-N 2.66Å; L418-K421 PolarHBondContact O-N 2.67Å; L418-L422 PolarHBondContact O-N 3.11Å; L418-L451 HydrophobicContact CD1-CD2 4.14Å; L418-L451 HydrophobicContact CD2-CD1 4.3Å; L418-L451 HydrophobicContact CD2-CD2 4.17Å; L418-L451 HydrophobicContact CG-CD1 4.28Å; L418-L451 HydrophobicContact CG-CD2 4.05Å; L418-A456 HydrophobicContact CD2-CB 4.13Å; L418-L472 HydrophobicContact CD2-CD1 3.67Å; L418-L479 HydrophobicContact CD1-CB 4.04Å; L418-A480 HydrophobicContact CB-CB 4.07Å; L418-L486 HydrophobicContact CD1-CD1 4Å; L418-L486 HydrophobicContact CD1-CD2 3.57Å; L418-L486 HydrophobicContact CD1-CG 4.45Å
419K90.5Very high86.6Confident26 Ų2635.6 Ų35.611%0.11320%0.2CC..Hα-helixtrans-65.5-37.3173.9-68.3176.2-176.71730111.9L114 V118 E140 F143 T415 I416 L422 L423L114-K419 HydrophobicContact CD2-CD 4.08Å; L114-K419 HydrophobicContact CG-CD 4.42Å; V118-K419 HydrophobicContact CG1-CB 4.41Å; V118-K419 WeakPolarHBondContact CG1-O 3.38Å; V118-K419 HydrophobicContact CG2-CB 4.43Å; E140-K419 IonicContact OE1-NZ 3.82Å; F143-K419 HydrophobicContact CE1-CB 3.78Å; F143-K419 HydrophobicContact CE1-CD 4.47Å; F143-K419 HydrophobicContact CZ-CB 4.37Å; T415-K419 WeakPolarHBondContact O-CG 3.41Å; T415-K419 PolarHBondContact O-N 3.1Å; I416-K419 HydrophobicContact CD1-CD 4.44Å; I416-K419 CarbonylContact O-C 3.54Å; I416-K419 WeakPolarHBondContact O-CA 3.43Å; I416-K419 WeakPolarHBondContact O-CB 3.06Å; I416-K419 PolarHBondContact O-N 2.99Å; I416-K419 VanDerWaalsContact O-N 3.07Å; K419-L422 PolarHBondContact O-N 2.91Å; K419-L423 WeakPolarHBondContact O-CB 3.45Å; K419-L423 PolarHBondContact O-N 2.92Å
420V91.6Very high86.6Confident1 Ų135.5 Ų35.51%0.00621%0.206CC..Hα-helixtrans-59.4-47.7172.7165.20000110.6F143 I416 L417 L422 L423 D424 P428 L431 L432F143-V420 HydrophobicContact CE2-CG2 3.38Å; F143-V420 HydrophobicContact CZ-CB 4.43Å; F143-V420 HydrophobicContact CZ-CG2 3.45Å; F143-V420 VanDerWaalsContact CZ-CG2 3.45Å; I416-V420 HydrophobicContact CG2-CG2 4.23Å; I416-V420 WeakPolarHBondContact O-CG2 3.34Å; I416-V420 PolarHBondContact O-N 2.66Å; L417-V420 WeakPolarHBondContact O-CB 3.35Å; L417-V420 PolarHBondContact O-N 3.31Å; V420-L422 VanDerWaalsContact C-N 3.35Å; V420-L422 PolarHBondContact O-N 3.05Å; V420-L423 WeakPolarHBondContact O-CB 3.43Å; V420-L423 PolarHBondContact O-N 2.82Å; V420-D424 PolarHBondContact O-N 3.02Å; V420-P428 HydrophobicContact CG1-CB 3.83Å; V420-P428 HydrophobicContact CG1-CG 4.03Å; V420-L431 HydrophobicContact CB-CD2 4.46Å; V420-L431 HydrophobicContact CG1-CD2 3.77Å; V420-L431 HydrophobicContact CG2-CD2 4.22Å; V420-L432 HydrophobicContact CG2-CD2 4.04Å; V420-L432 HydrophobicContact CG2-CG 4.35Å
421K90.2Very high87.1Confident37 Ų3732.9 Ų32.916%0.16119%0.193CC..Hα-helixtrans-63.8-37.7177.2-69.9-69-167.4170.40112.4L417 L418 D424 P428 L457 D469 G470 L472L417-K421 WeakPolarHBondContact O-CG 3.11Å; L417-K421 PolarHBondContact O-N 3.29Å; L418-K421 PolarHBondContact O-N 2.67Å; K421-D424 PolarHBondContact O-N 3.06Å; K421-P428 HydrophobicContact CD-CG 4.12Å; K421-L457 HydrophobicContact CG-CD2 4.29Å; K421-D469 VanDerWaalsContact CE-O 3.28Å; K421-D469 WeakPolarHBondContact CE-O 3.48Å; K421-D469 PolarHBondContact NZ-O 3.27Å; K421-D469 IonicContact NZ-OD1 3.4Å; K421-D469 PolarHBondContact NZ-OD1 3.02Å; K421-D469 IonicContact NZ-OD2 2.78Å; K421-D469 PolarHBondContact NZ-OD2 2.78Å; K421-G470 WeakPolarHBondContact CE-O 3.2Å; K421-G470 PolarHBondContact NZ-O 2.77Å; K421-L472 HydrophobicContact CB-CD1 4.4Å
422L89.9Confident88Confident28 Ų2831.7 Ų31.715%0.14718%0.183CC..Hα-helixtrans-64.9-40.2172.9-78.6-176000112.7V118 L119 K121 L418 K419 V420 D424 L472 A480V118-L422 HydrophobicContact CG1-CB 3.75Å; V118-L422 HydrophobicContact CG1-CD1 4.39Å; L119-L422 HydrophobicContact CD2-CD1 4.48Å; K121-L422 WeakPolarHBondContact CE-O 3.08Å; K121-L422 PolarHBondContact NZ-O 3.45Å; L418-L422 PolarHBondContact O-N 3.11Å; K419-L422 PolarHBondContact O-N 2.91Å; V420-L422 VanDerWaalsContact C-N 3.35Å; V420-L422 PolarHBondContact O-N 3.05Å; L422-D424 PolarHBondContact O-N 2.91Å; L422-L472 HydrophobicContact CD2-CD2 3.68Å; L422-L472 HydrophobicContact CG-CD2 4.28Å; L422-A480 HydrophobicContact CD1-CB 3.37Å; L422-A480 HydrophobicContact CD2-CB 4.46Å; L422-A480 HydrophobicContact CG-CB 3.86Å
423L89.1Confident88.6Confident2 Ų233.5 Ų33.51%0.0120%0.196CC..Hα-helixtrans-61.5-35.8179.4-173.268.3000111.4V118 K121 V147 K419 V420 M425 L431V118-L423 HydrophobicContact CG1-CB 4.46Å; K121-L423 WeakPolarHBondContact CE-O 3.45Å; K121-L423 PolarHBondContact NZ-O 3.17Å; K121-L423 VanDerWaalsContact NZ-O 3.11Å; V147-L423 HydrophobicContact CG1-CD1 4.49Å; V147-L423 HydrophobicContact CG2-CD2 4.02Å; K419-L423 WeakPolarHBondContact O-CB 3.45Å; K419-L423 PolarHBondContact O-N 2.92Å; V420-L423 WeakPolarHBondContact O-CB 3.43Å; V420-L423 PolarHBondContact O-N 2.82Å; L423-M425 HydrophobicContact CD1-SD 4.13Å; L423-M425 HydrophobicContact CD2-CB 4.3Å; L423-M425 HydrophobicContact CD2-CG 4.17Å; L423-M425 HydrophobicContact CD2-SD 3.73Å; L423-M425 HydrophobicContact CG-CB 4.29Å; L423-M425 HydrophobicContact CG-CG 3.84Å; L423-M425 HydrophobicContact CG-SD 3.77Å; L423-L431 HydrophobicContact CD2-CD2 4.2Å
424D86.3Confident88.8Confident122 Ų12235.5 Ų35.565%0.65221%0.209SC*.THydrogen-bonded Turntrans57.654.3174.3-166.526.8000112.7K121 V420 K421 L422K121-D424 VanDerWaalsContact NZ-CB 3.28Å; V420-D424 PolarHBondContact O-N 3.02Å; K421-D424 PolarHBondContact O-N 3.06Å; L422-D424 PolarHBondContact O-N 2.91Å
425M84.6Confident88.9Confident63 Ų6334.9 Ų34.931%0.3121%0.205SC..SBendtrans-116.938.3-177.4-77.1-172.7130.500112.4K150 L151 L423K150-M425 HydrophobicContact CB-CE 4.36Å; K150-M425 HydrophobicContact CB-SD 4.03Å; L151-M425 HydrophobicContact CD2-CE 3.63Å; L151-M425 HydrophobicContact CD2-SD 4.28Å; L151-M425 HydrophobicContact CG-CE 4.45Å; L423-M425 HydrophobicContact CD1-SD 4.13Å; L423-M425 HydrophobicContact CD2-CB 4.3Å; L423-M425 HydrophobicContact CD2-CG 4.17Å; L423-M425 HydrophobicContact CD2-SD 3.73Å; L423-M425 HydrophobicContact CG-CB 4.29Å; L423-M425 HydrophobicContact CG-CG 3.84Å; L423-M425 HydrophobicContact CG-SD 3.77Å
426G81Confident89Confident56 Ų5632.9 Ų32.958%0.57719%0.192SC*.SBendtrans100.8-172.1-177.400000113.2
427D83.9Confident89.1Confident64 Ų6433.4 Ų33.434%0.34220%0.196SC..  trans-68.7143.1-176.974.4-87.6000111.5R429 S430 L431D427-R429 VanDerWaalsContact C-N 3.27Å; D427-R429 PolarHBondContact O-N 3.18Å; D427-R429 WeakPolarHBondContact OD2-CB 3.48Å; D427-R429 PolarHBondContact OD2-N 2.73Å; D427-S430 PolarHBondContact O-N 3.48Å; D427-S430 WeakPolarHBondContact OD1-CB 3.3Å; D427-S430 PolarHBondContact OD1-OG 3.03Å; D427-S430 WeakPolarHBondContact OD2-CB 3.38Å; D427-S430 PolarHBondContact OD2-N 2.97Å; D427-S430 PolarHBondContact OD2-OG 2.93Å; D427-L431 WeakPolarHBondContact O-CB 3.07Å; D427-L431 PolarHBondContact O-N 3.27Å
428P87.4Confident89Confident1 Ų136.1 Ų36.11%0.00621%0.213CC..Hα-helixtrans-60.3-33.5-176.4-2431.9000114.1L417 V420 K421 L432 D469L417-P428 HydrophobicContact CD1-CB 3.65Å; L417-P428 HydrophobicContact CD1-CG 4.34Å; L417-P428 HydrophobicContact CG-CB 4.49Å; V420-P428 HydrophobicContact CG1-CB 3.83Å; V420-P428 HydrophobicContact CG1-CG 4.03Å; K421-P428 HydrophobicContact CD-CG 4.12Å; P428-L432 VanDerWaalsContact O-CB 3.29Å; P428-L432 WeakPolarHBondContact O-CB 3.44Å; P428-L432 VanDerWaalsContact O-CG 3.31Å; P428-L432 WeakPolarHBondContact O-CG 3.42Å; P428-L432 PolarHBondContact O-N 3.04Å; P428-D469 WeakPolarHBondContact CD-OD2 3.34Å; P428-D469 HydrophobicContact CG-CB 4.38Å
429R87.9Confident88.9Confident78 Ų7836.5 Ų36.529%0.29422%0.216SC..Hα-helixtrans-65.9-52-178.8-63.4-178.9-174.9164.86.5109.7D427 L431 S433 I444 E468D427-R429 VanDerWaalsContact C-N 3.27Å; D427-R429 PolarHBondContact O-N 3.18Å; D427-R429 WeakPolarHBondContact OD2-CB 3.48Å; D427-R429 PolarHBondContact OD2-N 2.73Å; R429-L431 VanDerWaalsContact C-N 3.35Å; R429-L431 PolarHBondContact O-N 2.86Å; R429-S433 VanDerWaalsContact O-CB 3.31Å; R429-S433 WeakPolarHBondContact O-CB 3.5Å; R429-S433 PolarHBondContact O-N 3.13Å; R429-I444 HydrophobicContact CG-CG2 4.15Å; R429-E468 IonicContact CZ-OE2 3.85Å; R429-E468 VanDerWaalsContact CZ-OE2 3.31Å; R429-E468 IonicContact NH1-OE2 3.69Å; R429-E468 PolarHBondContact NH1-OE2 3.01Å; R429-E468 IonicContact NH2-OE2 3Å; R429-E468 PolarHBondContact NH2-OE2 2.98Å
430S87.8Confident88.7Confident65 Ų6539.6 Ų39.646%0.45523%0.234SC..Hα-helixtrans-62.6-41.5176.8-61.10000111.6D427 S433D427-S430 PolarHBondContact O-N 3.48Å; D427-S430 WeakPolarHBondContact OD1-CB 3.3Å; D427-S430 PolarHBondContact OD1-OG 3.03Å; D427-S430 WeakPolarHBondContact OD2-CB 3.38Å; D427-S430 PolarHBondContact OD2-N 2.97Å; D427-S430 PolarHBondContact OD2-OG 2.93Å; S430-S433 PolarHBondContact O-OG 2.86Å
431L89.9Confident88.5Confident3 Ų344.8 Ų44.82%0.01626%0.261CS..Hα-helixtrans-65.3-52.7-179.9-174.965.4000111.6L146 K150 V420 L423 D427 R429 S433 T434L146-L431 WeakPolarHBondContact CD1-O 3.34Å; L146-L431 HydrophobicContact CD2-CD1 4.2Å; L146-L431 HydrophobicContact CD2-CD2 4.28Å; L146-L431 HydrophobicContact CD2-CG 3.97Å; K150-L431 HydrophobicContact CD-CD1 4.15Å; K150-L431 HydrophobicContact CG-CD1 4.14Å; V420-L431 HydrophobicContact CB-CD2 4.46Å; V420-L431 HydrophobicContact CG1-CD2 3.77Å; V420-L431 HydrophobicContact CG2-CD2 4.22Å; L423-L431 HydrophobicContact CD2-CD2 4.2Å; D427-L431 WeakPolarHBondContact O-CB 3.07Å; D427-L431 PolarHBondContact O-N 3.27Å; R429-L431 VanDerWaalsContact C-N 3.35Å; R429-L431 PolarHBondContact O-N 2.86Å; L431-S433 VanDerWaalsContact C-N 3.27Å; L431-S433 PolarHBondContact O-N 2.67Å; L431-T434 PolarHBondContact O-N 3.01Å; L431-T434 PolarHBondContact O-OG1 3Å
432L91Very high88.2Confident0 Ų046.8 Ų46.80%028%0.28CS..Hα-helixtrans-67.3-26.7-178.7-68174.2000112.6F143 I416 L417 V420 P428 T434 A435 P439 I444F143-L432 HydrophobicContact CD2-CD2 4.34Å; F143-L432 HydrophobicContact CE2-CD2 4.29Å; I416-L432 HydrophobicContact CG2-CD2 4.22Å; L417-L432 HydrophobicContact CD1-CD1 4.05Å; V420-L432 HydrophobicContact CG2-CD2 4.04Å; V420-L432 HydrophobicContact CG2-CG 4.35Å; P428-L432 VanDerWaalsContact O-CB 3.29Å; P428-L432 WeakPolarHBondContact O-CB 3.44Å; P428-L432 VanDerWaalsContact O-CG 3.31Å; P428-L432 WeakPolarHBondContact O-CG 3.42Å; P428-L432 PolarHBondContact O-N 3.04Å; L432-T434 PolarHBondContact O-N 3.11Å; L432-T434 VanDerWaalsContact O-N 3.17Å; L432-A435 WeakPolarHBondContact O-CB 3.43Å; L432-A435 PolarHBondContact O-N 2.51Å; L432-P439 HydrophobicContact CB-CG 4.18Å; L432-P439 HydrophobicContact CD1-CG 4.35Å; L432-I444 HydrophobicContact CB-CD1 4.08Å; L432-I444 HydrophobicContact CD1-CD1 4.03Å; L432-I444 HydrophobicContact CD1-CG1 4.14Å
433S90.8Very high88Confident68 Ų6847 Ų4748%0.47628%0.281SS..Hα-helixtrans-60.8-22.6171.878.20000113.3R429 S430 L431R429-S433 VanDerWaalsContact O-CB 3.31Å; R429-S433 WeakPolarHBondContact O-CB 3.5Å; R429-S433 PolarHBondContact O-N 3.13Å; S430-S433 PolarHBondContact O-OG 2.86Å; L431-S433 VanDerWaalsContact C-N 3.27Å; L431-S433 PolarHBondContact O-N 2.67Å
434T91.3Very high87.9Confident45 Ų4547 Ų4728%0.27628%0.281SS..THydrogen-bonded Turntrans-91.85.6177.365.40000114K150 Y176 L431 L432K150-T434 WeakPolarHBondContact CE-OG1 3.38Å; K150-T434 PolarHBondContact NZ-OG1 2.93Å; Y176-T434 WeakPolarHBondContact CE2-O 3.38Å; Y176-T434 PolarHBondContact OH-O 3.43Å; Y176-T434 VanDerWaalsContact OH-O 3.08Å; L431-T434 PolarHBondContact O-N 3.01Å; L431-T434 PolarHBondContact O-OG1 3Å; L432-T434 PolarHBondContact O-N 3.11Å; L432-T434 VanDerWaalsContact O-N 3.17Å
435A92.2Very high88Confident9 Ų943.7 Ų43.77%0.07427%0.265CS..SBendtrans-67.1163.2174.200000111.8L146 L432 S437L146-A435 VanDerWaalsContact CD1-CA 3.48Å; L146-A435 HydrophobicContact CD1-CB 3.94Å; L432-A435 WeakPolarHBondContact O-CB 3.43Å; L432-A435 PolarHBondContact O-N 2.51Å; A435-S437 VanDerWaalsContact C-N 3.32Å; A435-S437 PolarHBondContact O-N 3.11Å
436L91.2Very high88.1Confident19 Ų1942.6 Ų42.610%0.09926%0.258CS..SBendtrans-59-45179-17766.6000111.5L145 E172 F173 Y176L145-L436 HydrophobicContact CD1-CD2 4.21Å; E172-L436 HydrophobicContact CG-CD1 3.99Å; F173-L436 HydrophobicContact CD1-CD2 3.75Å; F173-L436 HydrophobicContact CE1-CD2 3.43Å; F173-L436 VanDerWaalsContact CE1-CD2 3.43Å; F173-L436 HydrophobicContact CZ-CD2 4.27Å; Y176-L436 HydrophobicContact CD1-CD1 4.09Å; Y176-L436 HydrophobicContact CD2-CB 4.26Å; Y176-L436 HydrophobicContact CD2-CD1 3.77Å; Y176-L436 HydrophobicContact CE2-CB 4.15Å; Y176-L436 HydrophobicContact CE2-CD1 4.49Å; Y176-L436 HydrophobicContact CG-CB 4.49Å; Y176-L436 HydrophobicContact CG-CD1 3.53Å
437S89.7Confident88.5Confident14 Ų1440 Ų4010%0.09823%0.231CC..SBendtrans-127.9100.6167.9-67.90000108.7R137 M408 A435R137-S437 PolarHBondContact NH2-OG 3.44Å; M408-S437 WeakPolarHBondContact CG-O 3.43Å; A435-S437 VanDerWaalsContact C-N 3.32Å; A435-S437 PolarHBondContact O-N 3.11Å
438P91.1Very high88.8Confident56 Ų5637.2 Ų37.236%0.36422%0.216SC..PPolyproline II helixtrans-67142.1-175.726.5-33.4000111Q409Q409-P438 PolarHBondContact NE2-O 2.7Å
439P89.4Confident88.9Confident10 Ų1039.1 Ų39.17%0.06523%0.225CC..PPolyproline II helixtrans-70.1163.4170.626.2-29.5000111.6L413 L432 I444L413-P439 HydrophobicContact CD1-CB 3.53Å; L413-P439 HydrophobicContact CD1-CG 3.78Å; L413-P439 HydrophobicContact CD2-CB 4.38Å; L432-P439 HydrophobicContact CB-CG 4.18Å; L432-P439 HydrophobicContact CD1-CG 4.35Å; P439-I444 HydrophobicContact CB-CG1 4.48Å; P439-I444 HydrophobicContact CG-CD1 4.03Å; P439-I444 HydrophobicContact CG-CG1 4.01Å
440N86.9Confident89Confident90 Ų9037 Ų3748%0.48122%0.219SC..PPolyproline II helixtrans-67.1141.8175.4-53.8-59.9000110.6S442 D443 I444N440-S442 VanDerWaalsContact C-N 3.27Å; N440-S442 PolarHBondContact O-N 3.37Å; N440-D443 HydrophobicContact CB-CB 4.46Å; N440-D443 WeakPolarHBondContact CB-OD2 3.34Å; N440-D443 PolarHBondContact ND2-OD2 2.89Å; N440-D443 PolarHBondContact O-N 2.95Å; N440-D443 VanDerWaalsContact O-N 3.08Å; N440-I444 PolarHBondContact O-N 2.85Å
441L86.1Confident89.2Confident111 Ų11134 Ų3458%0.58120%0.198SC*.Hα-helixtrans-59.7-38.1178.8-67.2173.6000112.4D443 I444 V445L441-D443 VanDerWaalsContact C-N 3.28Å; L441-D443 PolarHBondContact O-N 2.84Å; L441-I444 HydrophobicContact CD2-CD1 4.37Å; L441-I444 PolarHBondContact O-N 3.35Å; L441-V445 WeakPolarHBondContact O-CG2 3.42Å; L441-V445 PolarHBondContact O-N 3.1Å
442S84.6Confident89.2Confident79 Ų7935 Ų3555%0.55220%0.203SC*.Hα-helixtrans-60.8-37.5176.354.30000112.5N440 V445 R446N440-S442 VanDerWaalsContact C-N 3.27Å; N440-S442 PolarHBondContact O-N 3.37Å; S442-V445 PolarHBondContact O-N 2.95Å; S442-R446 WeakPolarHBondContact O-CB 3.33Å; S442-R446 PolarHBondContact O-N 3.31Å
443D85.1Confident89.3Confident33 Ų3335.6 Ų35.618%0.17621%0.206CC..Hα-helixtrans-70-40.7179.3-62.5-35.5000110.4L413 N440 L441 R446 T447L413-D443 HydrophobicContact CD1-CB 4.44Å; N440-D443 HydrophobicContact CB-CB 4.46Å; N440-D443 WeakPolarHBondContact CB-OD2 3.34Å; N440-D443 PolarHBondContact ND2-OD2 2.89Å; N440-D443 PolarHBondContact O-N 2.95Å; N440-D443 VanDerWaalsContact O-N 3.08Å; L441-D443 VanDerWaalsContact C-N 3.28Å; L441-D443 PolarHBondContact O-N 2.84Å; D443-R446 PolarHBondContact O-N 3.38Å; D443-R446 IonicContact OD1-CZ 2.82Å; D443-R446 IonicContact OD1-NH2 2.78Å; D443-R446 PolarHBondContact OD1-NH2 3.23Å; D443-T447 WeakPolarHBondContact O-CB 3.03Å; D443-T447 PolarHBondContact O-N 3.22Å; D443-T447 PolarHBondContact O-OG1 3.08Å; D443-T447 VanDerWaalsContact O-OG1 3.05Å
444I87.9Confident89.3Confident2 Ų233.5 Ų33.51%0.0119%0.189CC..Hα-helixtrans-60-48.1173.6-57.2173000110.6L413 L417 R429 L432 P439 N440 L441 T447 V448L413-I444 HydrophobicContact CD1-CG1 4.09Å; L417-I444 HydrophobicContact CD1-CG2 4.09Å; R429-I444 HydrophobicContact CG-CG2 4.15Å; L432-I444 HydrophobicContact CB-CD1 4.08Å; L432-I444 HydrophobicContact CD1-CD1 4.03Å; L432-I444 HydrophobicContact CD1-CG1 4.14Å; P439-I444 HydrophobicContact CB-CG1 4.48Å; P439-I444 HydrophobicContact CG-CD1 4.03Å; P439-I444 HydrophobicContact CG-CG1 4.01Å; N440-I444 PolarHBondContact O-N 2.85Å; L441-I444 HydrophobicContact CD2-CD1 4.37Å; L441-I444 PolarHBondContact O-N 3.35Å; I444-T447 PolarHBondContact O-N 3.33Å; I444-V448 WeakPolarHBondContact O-CG2 3.48Å; I444-V448 PolarHBondContact O-N 2.96Å
445V87.4Confident89.2Confident51 Ų5131.6 Ų31.631%0.30918%0.178SC..Hα-helixtrans-61.9-47.5-179.8174.10000110.8L441 S442 T447 V448 L449L441-V445 WeakPolarHBondContact O-CG2 3.42Å; L441-V445 PolarHBondContact O-N 3.1Å; S442-V445 PolarHBondContact O-N 2.95Å; V445-T447 VanDerWaalsContact C-N 3.34Å; V445-T447 PolarHBondContact O-N 3.46Å; V445-V448 WeakPolarHBondContact O-CB 3.3Å; V445-V448 PolarHBondContact O-N 2.93Å; V445-L449 HydrophobicContact CG1-CD1 4.48Å; V445-L449 WeakPolarHBondContact O-CG 3.41Å; V445-L449 PolarHBondContact O-N 3.11Å; V445-L449 VanDerWaalsContact O-N 3.1Å
446R86.7Confident89.2Confident41 Ų4131.2 Ų31.216%0.15518%0.175CC..Hα-helixtrans-58.3-46.3176.4-177177.761-148.3-12.7111.4K355 S442 D443 V448 L449 E450 L1151K355-R446 PolarHBondContact O-NH1 3.42Å; S442-R446 WeakPolarHBondContact O-CB 3.33Å; S442-R446 PolarHBondContact O-N 3.31Å; D443-R446 PolarHBondContact O-N 3.38Å; D443-R446 IonicContact OD1-CZ 2.82Å; D443-R446 IonicContact OD1-NH2 2.78Å; D443-R446 PolarHBondContact OD1-NH2 3.23Å; R446-V448 VanDerWaalsContact C-N 3.33Å; R446-V448 PolarHBondContact O-N 3.33Å; R446-L449 WeakPolarHBondContact O-CB 3.39Å; R446-L449 PolarHBondContact O-N 3.44Å; R446-L449 VanDerWaalsContact O-N 3.08Å; R446-E450 WeakPolarHBondContact O-CG 3.49Å; R446-E450 PolarHBondContact O-N 3.5Å; R446-L1151 HydrophobicContact CG-CD1 4.34Å
447T89.4Confident89.2Confident2 Ų230.5 Ų30.51%0.01217%0.171CC..Hα-helixtrans-63.7-35.1178.2-660000113.1L413 S414 L417 D443 I444 V445 L449 E450 L451L413-T447 HydrophobicContact CB-CG2 4.15Å; S414-T447 VanDerWaalsContact CA-CG2 3.41Å; L417-T447 HydrophobicContact CB-CG2 4.3Å; L417-T447 HydrophobicContact CD2-CG2 4.25Å; D443-T447 WeakPolarHBondContact O-CB 3.03Å; D443-T447 PolarHBondContact O-N 3.22Å; D443-T447 PolarHBondContact O-OG1 3.08Å; D443-T447 VanDerWaalsContact O-OG1 3.05Å; I444-T447 PolarHBondContact O-N 3.33Å; V445-T447 VanDerWaalsContact C-N 3.34Å; V445-T447 PolarHBondContact O-N 3.46Å; T447-L449 VanDerWaalsContact C-N 3.33Å; T447-E450 PolarHBondContact O-N 2.85Å; T447-L451 HydrophobicContact CG2-CD1 4.15Å; T447-L451 WeakPolarHBondContact O-CB 3.47Å; T447-L451 WeakPolarHBondContact O-CG 3.47Å; T447-L451 PolarHBondContact O-N 2.93Å
448V90.4Very high88.9Confident5 Ų531 Ų313%0.0317%0.174CC..Hα-helixtrans-58.8-48.1170.6168.70000110L417 I444 V445 R446 L451 I452 L457L417-V448 HydrophobicContact CD2-CB 4.38Å; L417-V448 HydrophobicContact CD2-CG2 3.54Å; I444-V448 WeakPolarHBondContact O-CG2 3.48Å; I444-V448 PolarHBondContact O-N 2.96Å; V445-V448 WeakPolarHBondContact O-CB 3.3Å; V445-V448 PolarHBondContact O-N 2.93Å; R446-V448 VanDerWaalsContact C-N 3.33Å; R446-V448 PolarHBondContact O-N 3.33Å; V448-L451 PolarHBondContact O-N 2.82Å; V448-I452 HydrophobicContact CG1-CD1 3.86Å; V448-I452 HydrophobicContact CG1-CG1 4.48Å; V448-I452 WeakPolarHBondContact O-CG1 3.12Å; V448-I452 PolarHBondContact O-N 2.98Å; V448-L457 HydrophobicContact CG1-CD1 4.37Å
449L90Very high87.9Confident40 Ų4030.9 Ų30.921%0.20918%0.178CC..Hα-helixtrans-62.7-43.6-180-63.2175.7000111.7V445 R446 T447 L451 I452 E453 L1140 I1150 L1151V445-L449 HydrophobicContact CG1-CD1 4.48Å; V445-L449 WeakPolarHBondContact O-CG 3.41Å; V445-L449 PolarHBondContact O-N 3.11Å; V445-L449 VanDerWaalsContact O-N 3.1Å; R446-L449 WeakPolarHBondContact O-CB 3.39Å; R446-L449 PolarHBondContact O-N 3.44Å; R446-L449 VanDerWaalsContact O-N 3.08Å; T447-L449 VanDerWaalsContact C-N 3.33Å; L449-L451 VanDerWaalsContact C-N 3.3Å; L449-L451 PolarHBondContact O-N 3.23Å; L449-I452 HydrophobicContact CD2-CD1 4.5Å; L449-I452 WeakPolarHBondContact O-CB 3.48Å; L449-I452 PolarHBondContact O-N 3.2Å; L449-I452 VanDerWaalsContact O-N 3.1Å; L449-E453 PolarHBondContact O-N 2.95Å; L449-L1140 HydrophobicContact CB-CD1 4.04Å; L449-L1140 WeakPolarHBondContact O-CD1 3.47Å; L449-I1150 HydrophobicContact CD1-CG2 3.99Å; L449-I1150 HydrophobicContact CD2-CG2 3.66Å; L449-I1150 HydrophobicContact CG-CG2 4.37Å; L449-L1151 HydrophobicContact CB-CD1 4.46Å
450E90.4Very high86.6Confident34 Ų3438.3 Ų38.316%0.15921%0.21CC..Hα-helixtrans-58.5-40.8174.5-70170.4168.200112.1N358 R446 T447 I452 E453 M454 L1151N358-E450 PolarHBondContact ND2-OE1 3.08Å; N358-E450 PolarHBondContact ND2-OE2 2.83Å; R446-E450 WeakPolarHBondContact O-CG 3.49Å; R446-E450 PolarHBondContact O-N 3.5Å; T447-E450 PolarHBondContact O-N 2.85Å; E450-I452 VanDerWaalsContact C-N 3.34Å; E450-E453 PolarHBondContact O-N 3.43Å; E450-M454 WeakPolarHBondContact O-CB 3.33Å; E450-M454 PolarHBondContact O-N 2.96Å; E450-L1151 HydrophobicContact CG-CD2 4.38Å
451L92.3Very high84.8Confident2 Ų236.4 Ų36.41%0.0120%0.204CC..Hα-helixtrans-71.9-28.1176.9-73.3169.5000112.8L417 L418 T447 V448 L449 G455 A456 L457 L486L417-L451 HydrophobicContact CB-CD1 3.89Å; L417-L451 HydrophobicContact CD2-CD1 3.57Å; L417-L451 HydrophobicContact CG-CD1 4.29Å; L418-L451 HydrophobicContact CD1-CD2 4.14Å; L418-L451 HydrophobicContact CD2-CD1 4.3Å; L418-L451 HydrophobicContact CD2-CD2 4.17Å; L418-L451 HydrophobicContact CG-CD1 4.28Å; L418-L451 HydrophobicContact CG-CD2 4.05Å; T447-L451 HydrophobicContact CG2-CD1 4.15Å; T447-L451 WeakPolarHBondContact O-CB 3.47Å; T447-L451 WeakPolarHBondContact O-CG 3.47Å; T447-L451 PolarHBondContact O-N 2.93Å; V448-L451 PolarHBondContact O-N 2.82Å; L449-L451 VanDerWaalsContact C-N 3.3Å; L449-L451 PolarHBondContact O-N 3.23Å; L451-G455 PolarHBondContact O-N 3.18Å; L451-A456 HydrophobicContact CB-CB 4.37Å; L451-A456 HydrophobicContact CD2-CB 3.93Å; L451-A456 WeakPolarHBondContact O-CA 3.5Å; L451-A456 PolarHBondContact O-N 2.9Å; L451-L457 HydrophobicContact CB-CB 4.48Å; L451-L457 HydrophobicContact CB-CD1 3.7Å; L451-L457 HydrophobicContact CB-CG 3.86Å; L451-L457 HydrophobicContact CD1-CD1 4.1Å; L451-L457 PolarHBondContact O-N 2.91Å; L451-L457 VanDerWaalsContact O-N 3.08Å; L451-L486 HydrophobicContact CD2-CD1 3.72Å
452I90.3Very high82.7Confident25 Ų2539.8 Ų39.813%0.12822%0.222CC..Hα-helixtrans-69.6-44.7169.7-68.3168.9000110.1V448 L449 E450 M454 G455 L457 A459 L1140V448-I452 HydrophobicContact CG1-CD1 3.86Å; V448-I452 HydrophobicContact CG1-CG1 4.48Å; V448-I452 WeakPolarHBondContact O-CG1 3.12Å; V448-I452 PolarHBondContact O-N 2.98Å; L449-I452 HydrophobicContact CD2-CD1 4.5Å; L449-I452 WeakPolarHBondContact O-CB 3.48Å; L449-I452 PolarHBondContact O-N 3.2Å; L449-I452 VanDerWaalsContact O-N 3.1Å; E450-I452 VanDerWaalsContact C-N 3.34Å; I452-M454 VanDerWaalsContact C-N 3.32Å; I452-M454 PolarHBondContact O-N 3.35Å; I452-G455 WeakPolarHBondContact O-CA 3.43Å; I452-G455 PolarHBondContact O-N 3.3Å; I452-L457 HydrophobicContact CG1-CB 3.79Å; I452-A459 HydrophobicContact CG2-CB 3.56Å; I452-L1140 HydrophobicContact CG2-CD2 4.06Å
453E91.1Very high80.7Confident12 Ų1238 Ų386%0.05622%0.217CC..Hα-helixtrans-61.8-40.8176.7-178.4174.2-124.400111.9L449 E450 G455 Y630 P1120 L1140 N1154L449-E453 PolarHBondContact O-N 2.95Å; E450-E453 PolarHBondContact O-N 3.43Å; E453-G455 PolarHBondContact O-N 3.12Å; E453-Y630 HydrophobicContact CG-CD1 4.46Å; E453-Y630 HydrophobicContact CG-CE1 4.14Å; E453-P1120 HydrophobicContact CB-CG 4.39Å; E453-P1120 HydrophobicContact CG-CG 3.87Å; E453-P1120 WeakPolarHBondContact O-CG 3.35Å; E453-L1140 HydrophobicContact CB-CD1 4.09Å; E453-L1140 HydrophobicContact CB-CD2 3.78Å; E453-L1140 HydrophobicContact CB-CG 3.89Å; E453-L1140 HydrophobicContact CG-CD2 4.38Å; E453-L1140 HydrophobicContact CG-CG 4.36Å; E453-N1154 WeakPolarHBondContact OE1-CB 3.28Å; E453-N1154 PolarHBondContact OE2-ND2 3.41Å
454M91.3Very high78.5Confident23 Ų2346.8 Ų46.811%0.11325%0.253CS..Hα-helixtrans-63.7-26.2173.5179.8172.1-8700112.4E450 I452 L479 L486 N487 K490E450-M454 WeakPolarHBondContact O-CB 3.33Å; E450-M454 PolarHBondContact O-N 2.96Å; I452-M454 VanDerWaalsContact C-N 3.32Å; I452-M454 PolarHBondContact O-N 3.35Å; M454-L479 HydrophobicContact CG-CD1 4.47Å; M454-L479 HydrophobicContact SD-CD1 3.75Å; M454-L486 HydrophobicContact CE-CB 3.67Å; M454-L486 HydrophobicContact SD-CB 3.59Å; M454-L486 VanDerWaalsContact SD-CB 3.59Å; M454-L486 HydrophobicContact SD-CD1 4.34Å; M454-N487 HydrophobicContact CE-CB 4.46Å; M454-N487 WeakPolarHBondContact CE-OD1 3.44Å; M454-K490 HydrophobicContact CG-CD 4.07Å; M454-K490 PolarHBondContact O-NZ 3.48Å
455G90.3Very high76.5Confident6 Ų654.4 Ų54.46%0.06229%0.294CS..THydrogen-bonded Turntrans86.812.7-174.200000114.3L451 I452 E453 L457 T473 L1256L451-G455 PolarHBondContact O-N 3.18Å; I452-G455 WeakPolarHBondContact O-CA 3.43Å; I452-G455 PolarHBondContact O-N 3.3Å; E453-G455 PolarHBondContact O-N 3.12Å; G455-L457 VanDerWaalsContact C-N 3.35Å; G455-T473 WeakPolarHBondContact O-CG2 3.03Å; G455-T473 PolarHBondContact O-OG1 3.21Å; G455-L1256 WeakPolarHBondContact O-CD1 3.33Å
456A92Very high74.9Confident0 Ų055.9 Ų55.90%030%0.297CS..SBendtrans-75-27.117500000112.2L418 L451 T473 G476 L479L418-A456 HydrophobicContact CD2-CB 4.13Å; L451-A456 HydrophobicContact CB-CB 4.37Å; L451-A456 HydrophobicContact CD2-CB 3.93Å; L451-A456 WeakPolarHBondContact O-CA 3.5Å; L451-A456 PolarHBondContact O-N 2.9Å; A456-T473 PolarHBondContact O-N 2.94Å; A456-T473 VanDerWaalsContact O-N 3.11Å; A456-T473 PolarHBondContact O-OG1 3.47Å; A456-T473 VanDerWaalsContact O-OG1 3.06Å; A456-G476 WeakPolarHBondContact O-CA 3.45Å; A456-L479 HydrophobicContact CB-CD1 3.93Å
457L90.1Very high73.4Confident4 Ų457.6 Ų57.62%0.02132%0.316CS..BIsolated β-bridgetrans-120.4148.9173-60.9177.7000110.6L417 K421 V448 L451 I452 G455 E471 L472L417-L457 HydrophobicContact CD2-CD1 4.33Å; K421-L457 HydrophobicContact CG-CD2 4.29Å; V448-L457 HydrophobicContact CG1-CD1 4.37Å; L451-L457 HydrophobicContact CB-CB 4.48Å; L451-L457 HydrophobicContact CB-CD1 3.7Å; L451-L457 HydrophobicContact CB-CG 3.86Å; L451-L457 HydrophobicContact CD1-CD1 4.1Å; L451-L457 PolarHBondContact O-N 2.91Å; L451-L457 VanDerWaalsContact O-N 3.08Å; I452-L457 HydrophobicContact CG1-CB 3.79Å; G455-L457 VanDerWaalsContact C-N 3.35Å; L457-E471 CarbonylContact C-O 3.55Å; L457-E471 VanDerWaalsContact CA-O 3.31Å; L457-E471 WeakPolarHBondContact CA-O 3.21Å; L457-L472 HydrophobicContact CD2-CD1 4.11Å
458S85.1Confident72.3Confident24 Ų2464.5 Ų64.517%0.16835%0.348CS..  trans-79.9138176.9-178.50000111.9G470 E471S458-G470 WeakPolarHBondContact O-CA 3.37Å; S458-E471 PolarHBondContact N-O 3.41Å
459A69.8Low71.5Confident54 Ų5465 Ų6545%0.44635%0.35SS..  trans-81.2-17.2-178.200000115.1I452I452-A459 HydrophobicContact CG2-CB 3.56Å
460K61.9Low71.1Confident167 Ų16763.7 Ų63.773%0.72635%0.347SS*.  trans-140.9153.9-170.7-81.6-171.1179.2176.50116.6
461S47.9Very low70.7Confident50 Ų5066.5 Ų66.535%0.3536%0.36SS..  trans-134.5128.4-172.1150.30000107G463 Q466S461-G463 PolarHBondContact OG-O 3.37Å; S461-Q466 VanDerWaalsContact CB-CB 3.49Å; S461-Q466 WeakPolarHBondContact OG-CB 3.46Å; S461-Q466 WeakPolarHBondContact OG-CG 3.31Å; S461-Q466 PolarHBondContact OG-OE1 3.05Å
462D42.4Very low70.5Confident181 Ų18167.9 Ų67.997%0.96837%0.367SS*.  trans-115.558170.6-107.7-7.8000110.1
463G42.2Very low70.4Confident43 Ų4367 Ų6744%0.44336%0.363SS..SBendtrans-169.9143.5178.800000114.8S461 N465S461-G463 PolarHBondContact OG-O 3.37Å; G463-N465 PolarHBondContact O-N 3.05Å
464K40.3Very low70.3Confident216 Ų21666.5 Ų66.594%0.93936%0.36SS*.SBendtrans-53.45.1-170.2-78179.2172.5177.50118.6
465N45.2Very low70.3Confident163 Ų16365.6 Ų65.687%0.87236%0.356SS*.SBendtrans-14766.2-178.3-78.5-20.8000112.2G463G463-N465 PolarHBondContact O-N 3.05Å
466Q54.5Low70.3Confident81 Ų8165.3 Ų65.338%0.37935%0.353SS..  trans-125.8141.8177.9-65.4-167.9-109.400113.9S461S461-Q466 VanDerWaalsContact CB-CB 3.49Å; S461-Q466 WeakPolarHBondContact OG-CB 3.46Å; S461-Q466 WeakPolarHBondContact OG-CG 3.31Å; S461-Q466 PolarHBondContact OG-OE1 3.05Å
467S54.8Low70.2Confident77 Ų7769.1 Ų69.154%0.53837%0.367SS..  trans-77.4138.9-179.649.70000110.7D469S467-D469 WeakPolarHBondContact CB-OD1 3.49Å; S467-D469 PolarHBondContact O-N 3.28Å; S467-D469 PolarHBondContact OG-OD1 2.83Å
468E66.1Low70.3Confident148 Ų14868.9 Ų68.969%0.69237%0.366SS*.THydrogen-bonded Turntrans-63.56.8177.4-60.2-180156.600114.3R429R429-E468 IonicContact CZ-OE2 3.85Å; R429-E468 VanDerWaalsContact CZ-OE2 3.31Å; R429-E468 IonicContact NH1-OE2 3.69Å; R429-E468 PolarHBondContact NH1-OE2 3.01Å; R429-E468 IonicContact NH2-OE2 3Å; R429-E468 PolarHBondContact NH2-OE2 2.98Å
469D73.9Confident70.7Confident15 Ų1568 Ų688%0.0836%0.359CS..THydrogen-bonded Turntrans-107.5-0-164.871.1-12.3000114.1K421 P428 S467K421-D469 VanDerWaalsContact CE-O 3.28Å; K421-D469 WeakPolarHBondContact CE-O 3.48Å; K421-D469 PolarHBondContact NZ-O 3.27Å; K421-D469 IonicContact NZ-OD1 3.4Å; K421-D469 PolarHBondContact NZ-OD1 3.02Å; K421-D469 IonicContact NZ-OD2 2.78Å; K421-D469 PolarHBondContact NZ-OD2 2.78Å; P428-D469 WeakPolarHBondContact CD-OD2 3.34Å; P428-D469 HydrophobicContact CG-CB 4.38Å; S467-D469 WeakPolarHBondContact CB-OD1 3.49Å; S467-D469 PolarHBondContact O-N 3.28Å; S467-D469 PolarHBondContact OG-OD1 2.83Å
470G80.4Confident71.7Confident13 Ų1366.1 Ų66.113%0.13434%0.344CS..  trans69.8153.7175.100000116.2K421 S458K421-G470 WeakPolarHBondContact CE-O 3.2Å; K421-G470 PolarHBondContact NZ-O 2.77Å; S458-G470 WeakPolarHBondContact O-CA 3.37Å
471E83.8Confident72.9Confident93 Ų9360.1 Ų60.144%0.43532%0.319SS..PPolyproline II helixtrans-94.5148.6173.4-70.7-174.3-177.700111.9L457 S458 T473L457-E471 CarbonylContact C-O 3.55Å; L457-E471 VanDerWaalsContact CA-O 3.31Å; L457-E471 WeakPolarHBondContact CA-O 3.21Å; S458-E471 PolarHBondContact N-O 3.41Å; E471-T473 PolarHBondContact O-N 2.83Å
472L87.3Confident75Confident31 Ų3158.3 Ų58.316%0.16231%0.305CS..BIsolated β-bridgetrans-71.2118.6-178.9-167.867.9000111.9L418 K421 L422 L457 R477L418-L472 HydrophobicContact CD2-CD1 3.67Å; K421-L472 HydrophobicContact CB-CD1 4.4Å; L422-L472 HydrophobicContact CD2-CD2 3.68Å; L422-L472 HydrophobicContact CG-CD2 4.28Å; L457-L472 HydrophobicContact CD2-CD1 4.11Å; L472-R477 HydrophobicContact CD2-CB 4.46Å; L472-R477 HydrophobicContact CD2-CG 3.42Å; L472-R477 VanDerWaalsContact CD2-CG 3.42Å; L472-R477 HydrophobicContact CG-CG 3.78Å; L472-R477 PolarHBondContact O-NH1 2.98Å; L472-R477 VanDerWaalsContact O-NH1 3.09Å
473T88.4Confident77.2Confident5 Ų552.3 Ų52.33%0.03128%0.276CS..PPolyproline II helixtrans-78.6173.6179.668.30000112G455 A456 E471 L475 G476 R477G455-T473 WeakPolarHBondContact O-CG2 3.03Å; G455-T473 PolarHBondContact O-OG1 3.21Å; A456-T473 PolarHBondContact O-N 2.94Å; A456-T473 VanDerWaalsContact O-N 3.11Å; A456-T473 PolarHBondContact O-OG1 3.47Å; A456-T473 VanDerWaalsContact O-OG1 3.06Å; E471-T473 PolarHBondContact O-N 2.83Å; T473-L475 VanDerWaalsContact C-N 3.31Å; T473-L475 PolarHBondContact OG1-N 3.41Å; T473-G476 PolarHBondContact O-N 2.9Å; T473-G476 PolarHBondContact OG1-N 3.39Å; T473-R477 PolarHBondContact O-N 2.89Å
474F88.2Confident79.5Confident2 Ų251.2 Ų51.21%0.00926%0.261CS..Hα-helixtrans-56.8-47.6170177.7-105.8000110.9G476 R477 V478 F598 L1183 N1185 L1191F474-G476 PolarHBondContact O-N 3.05Å; F474-R477 PolarHBondContact O-N 3.41Å; F474-V478 HydrophobicContact CD1-CG2 4.36Å; F474-V478 HydrophobicContact CE1-CG2 3.96Å; F474-V478 HydrophobicContact CE2-CG2 4.31Å; F474-V478 HydrophobicContact CZ-CG2 3.93Å; F474-V478 WeakPolarHBondContact O-CG2 3.45Å; F474-V478 PolarHBondContact O-N 3.12Å; F474-F598 HydrophobicContact CE2-CD1 4.24Å; F474-F598 HydrophobicContact CZ-CB 4.22Å; F474-L1183 WeakPolarHBondContact CB-O 3.1Å; F474-L1183 HydrophobicContact CD1-CB 4.44Å; F474-L1183 HydrophobicContact CD1-CD2 3.99Å; F474-L1183 HydrophobicContact CE1-CD2 3.94Å; F474-N1185 VanDerWaalsContact CB-OD1 3.32Å; F474-N1185 WeakPolarHBondContact CB-OD1 3.39Å; F474-N1185 PolarHBondContact N-OD1 2.94Å; F474-L1191 HydrophobicContact CE2-CD1 4.34Å; F474-L1191 HydrophobicContact CE2-CG 4.23Å
475L91.4Very high81.9Confident4 Ų444.8 Ų44.82%0.02124%0.236CC..Hα-helixtrans-54.6-53.1174.8174.960.7000110T473 R477 V478 L479 K490 V493 L1256T473-L475 VanDerWaalsContact C-N 3.31Å; T473-L475 PolarHBondContact OG1-N 3.41Å; L475-R477 VanDerWaalsContact C-N 3.27Å; L475-R477 PolarHBondContact O-N 3.03Å; L475-V478 PolarHBondContact O-N 2.79Å; L475-L479 HydrophobicContact CD1-CD1 4.13Å; L475-L479 HydrophobicContact CD1-CD2 3.99Å; L475-L479 HydrophobicContact CD1-CG 3.89Å; L475-L479 HydrophobicContact CG-CD1 3.99Å; L475-L479 HydrophobicContact CG-CG 4.16Å; L475-L479 VanDerWaalsContact O-CG 3.27Å; L475-L479 WeakPolarHBondContact O-CG 3.48Å; L475-L479 PolarHBondContact O-N 3.18Å; L475-K490 HydrophobicContact CD1-CB 4.38Å; L475-K490 HydrophobicContact CD1-CG 4.44Å; L475-K490 HydrophobicContact CD2-CD 4.45Å; L475-K490 HydrophobicContact CD2-CG 4.2Å; L475-V493 HydrophobicContact CD1-CB 3.94Å; L475-V493 HydrophobicContact CD1-CG1 4.13Å; L475-V493 HydrophobicContact CD1-CG2 3.78Å; L475-L1256 HydrophobicContact CB-CD1 4.33Å; L475-L1256 HydrophobicContact CD2-CD1 3.52Å
476G91.8Very high84.2Confident0 Ų037.5 Ų37.50%020%0.198CC..Hα-helixtrans-56.5-38.317900000113.8A456 T473 F474 A480A456-G476 WeakPolarHBondContact O-CA 3.45Å; T473-G476 PolarHBondContact O-N 2.9Å; T473-G476 PolarHBondContact OG1-N 3.39Å; F474-G476 PolarHBondContact O-N 3.05Å; G476-A480 WeakPolarHBondContact O-CB 3.28Å; G476-A480 PolarHBondContact O-N 2.67Å
477R89.6Confident86.1Confident80 Ų8035.2 Ų35.230%0.30219%0.188SC..Hα-helixtrans-64.7-45.8173.9-76.4-166.2-63.3-86.17.9112.2L472 T473 F474 L475 A480 H481 N1185L472-R477 HydrophobicContact CD2-CB 4.46Å; L472-R477 HydrophobicContact CD2-CG 3.42Å; L472-R477 VanDerWaalsContact CD2-CG 3.42Å; L472-R477 HydrophobicContact CG-CG 3.78Å; L472-R477 PolarHBondContact O-NH1 2.98Å; L472-R477 VanDerWaalsContact O-NH1 3.09Å; T473-R477 PolarHBondContact O-N 2.89Å; F474-R477 PolarHBondContact O-N 3.41Å; L475-R477 VanDerWaalsContact C-N 3.27Å; L475-R477 PolarHBondContact O-N 3.03Å; R477-A480 PolarHBondContact O-N 2.96Å; R477-H481 PolarHBondContact O-N 3.26Å; R477-H481 PolarHBondContact O-ND1 3.44Å; R477-N1185 PolarHBondContact NH1-ND2 3.18Å; R477-N1185 PolarHBondContact NH2-ND2 2.84Å; R477-N1185 PolarHBondContact NH2-OD1 3Å
478V91.9Very high88.1Confident0 Ų032 Ų320%017%0.165CC..Hα-helixtrans-59.9-51.5176.1175.20000110F474 L475 A480 H481 L482 V493 F598 M600F474-V478 HydrophobicContact CD1-CG2 4.36Å; F474-V478 HydrophobicContact CE1-CG2 3.96Å; F474-V478 HydrophobicContact CE2-CG2 4.31Å; F474-V478 HydrophobicContact CZ-CG2 3.93Å; F474-V478 WeakPolarHBondContact O-CG2 3.45Å; F474-V478 PolarHBondContact O-N 3.12Å; L475-V478 PolarHBondContact O-N 2.79Å; V478-A480 VanDerWaalsContact C-N 3.27Å; V478-A480 PolarHBondContact O-N 3.04Å; V478-H481 PolarHBondContact O-N 2.96Å; V478-L482 HydrophobicContact CG1-CD1 3.81Å; V478-L482 HydrophobicContact CG1-CG 4.23Å; V478-L482 WeakPolarHBondContact O-CG 3.49Å; V478-L482 PolarHBondContact O-N 3.43Å; V478-V493 HydrophobicContact CB-CG2 4.15Å; V478-V493 HydrophobicContact CG1-CG2 3.71Å; V478-F598 HydrophobicContact CG2-CB 4.45Å; V478-F598 HydrophobicContact CG2-CD1 3.83Å; V478-F598 HydrophobicContact CG2-CD2 4.16Å; V478-F598 HydrophobicContact CG2-CE1 4.05Å; V478-F598 HydrophobicContact CG2-CE2 4.35Å; V478-F598 HydrophobicContact CG2-CG 3.89Å; V478-F598 HydrophobicContact CG2-CZ 4.3Å; V478-M600 HydrophobicContact CG1-CE 3.9Å; V478-M600 HydrophobicContact CG2-CE 3.98Å
479L93.9Very high89.5Confident4 Ų425 Ų252%0.02113%0.132CC..Hα-helixtrans-54.1-43.5-179.1-64.9-176000112.2L418 M454 A456 L475 H481 L482 L486 G489 K490L418-L479 HydrophobicContact CD1-CB 4.04Å; M454-L479 HydrophobicContact CG-CD1 4.47Å; M454-L479 HydrophobicContact SD-CD1 3.75Å; A456-L479 HydrophobicContact CB-CD1 3.93Å; L475-L479 HydrophobicContact CD1-CD1 4.13Å; L475-L479 HydrophobicContact CD1-CD2 3.99Å; L475-L479 HydrophobicContact CD1-CG 3.89Å; L475-L479 HydrophobicContact CG-CD1 3.99Å; L475-L479 HydrophobicContact CG-CG 4.16Å; L475-L479 VanDerWaalsContact O-CG 3.27Å; L475-L479 WeakPolarHBondContact O-CG 3.48Å; L475-L479 PolarHBondContact O-N 3.18Å; L479-H481 PolarHBondContact O-N 3.14Å; L479-L482 PolarHBondContact O-N 2.98Å; L479-L486 HydrophobicContact CB-CD2 4.17Å; L479-L486 HydrophobicContact CD1-CB 4.44Å; L479-L486 WeakPolarHBondContact CD2-O 3.02Å; L479-G489 VanDerWaalsContact CD2-CA 3.42Å; L479-K490 VanDerWaalsContact CD2-N 3.27Å
480A90.1Very high90.6Very high16 Ų1624.5 Ų24.513%0.13213%0.129CC..Hα-helixtrans-67-18.4-17900000114.2L418 L422 G476 R477 V478L418-A480 HydrophobicContact CB-CB 4.07Å; L422-A480 HydrophobicContact CD1-CB 3.37Å; L422-A480 HydrophobicContact CD2-CB 4.46Å; L422-A480 HydrophobicContact CG-CB 3.86Å; G476-A480 WeakPolarHBondContact O-CB 3.28Å; G476-A480 PolarHBondContact O-N 2.67Å; R477-A480 PolarHBondContact O-N 2.96Å; V478-A480 VanDerWaalsContact C-N 3.27Å; V478-A480 PolarHBondContact O-N 3.04Å
481H87.7Confident91.4Very high41 Ų4123.9 Ų23.919%0.1912%0.123CC..Hα-helixtrans-93.8-18.1177.3-72.475.8000113.7Q115 L119 R477 V478 L479 R594 F598Q115-H481 PolarHBondContact NE2-O 2.91Å; L119-H481 WeakPolarHBondContact CD2-NE2 3.4Å; R477-H481 PolarHBondContact O-N 3.26Å; R477-H481 PolarHBondContact O-ND1 3.44Å; V478-H481 PolarHBondContact O-N 2.96Å; L479-H481 PolarHBondContact O-N 3.14Å; H481-R594 PolarHBondContact O-NH1 2.93Å; H481-F598 HydrophobicContact CB-CE2 4.21Å; H481-F598 HydrophobicContact CB-CZ 4.07Å; H481-F598 AromaticContact CG-CZ 3.88Å; H481-F598 AromaticContact ND1-CZ 3.94Å
482L90.8Very high92.1Very high12 Ų1219.5 Ų19.56%0.06310%0.102CC..SBendtrans-88.6135.6-176.2-61.7178.2000111.4V478 L479 V484 I492 L591 R594 V595V478-L482 HydrophobicContact CG1-CD1 3.81Å; V478-L482 HydrophobicContact CG1-CG 4.23Å; V478-L482 WeakPolarHBondContact O-CG 3.49Å; V478-L482 PolarHBondContact O-N 3.43Å; L479-L482 PolarHBondContact O-N 2.98Å; L482-V484 HydrophobicContact CB-CG2 3.96Å; L482-V484 PolarHBondContact O-N 3.21Å; L482-V484 VanDerWaalsContact O-N 3.09Å; L482-I492 HydrophobicContact CD1-CD1 4.04Å; L482-L591 HydrophobicContact CD2-CD2 4.15Å; L482-R594 HydrophobicContact CD2-CB 4.01Å; L482-V595 HydrophobicContact CD2-CG1 3.91Å
483P88.4Confident92.4Very high55 Ų5518.1 Ų18.136%0.35710%0.095SC..SBendtrans-85.644.917937.2-38000112.3L587 L591P483-L587 HydrophobicContact CG-CD1 4.31Å; P483-L591 HydrophobicContact CG-CD2 4.2Å
484V91.3Very high92.8Very high19 Ų1918 Ų1812%0.1159%0.094CC..SBendtrans-134.7166.5-177-57.40000110.5L482 L488 S512 L591L482-V484 HydrophobicContact CB-CG2 3.96Å; L482-V484 PolarHBondContact O-N 3.21Å; L482-V484 VanDerWaalsContact O-N 3.09Å; V484-L488 HydrophobicContact CB-CB 4.3Å; V484-L488 HydrophobicContact CG2-CB 4.15Å; V484-S512 WeakPolarHBondContact CB-OG 3.38Å; V484-S512 WeakPolarHBondContact CG1-OG 3.45Å; V484-L591 HydrophobicContact CG1-CD1 4.05Å; V484-L591 HydrophobicContact CG1-CD2 3.84Å
485D90.7Very high93.1Very high81 Ų8117.9 Ų17.943%0.4339%0.094SC..  trans-56.2146.8171-178.1-99.8000111.5N487 L488 G489D485-N487 VanDerWaalsContact C-N 3.28Å; D485-N487 PolarHBondContact O-N 2.9Å; D485-N487 WeakPolarHBondContact OD1-CB 3.27Å; D485-N487 PolarHBondContact OD1-N 2.98Å; D485-N487 PolarHBondContact OD1-ND2 3.2Å; D485-L488 HydrophobicContact CB-CD1 4.15Å; D485-L488 HydrophobicContact CB-CG 4.24Å; D485-L488 WeakPolarHBondContact O-CB 3.2Å; D485-L488 PolarHBondContact O-N 2.99Å; D485-G489 PolarHBondContact O-N 3.27Å
486L93.5Very high93.2Very high11 Ų1117.9 Ų17.96%0.0589%0.094CC..Hα-helixtrans-60.9-35.1-174-57.4-175.7000112.8L418 L451 M454 L479 G489 K490L418-L486 HydrophobicContact CD1-CD1 4Å; L418-L486 HydrophobicContact CD1-CD2 3.57Å; L418-L486 HydrophobicContact CD1-CG 4.45Å; L451-L486 HydrophobicContact CD2-CD1 3.72Å; M454-L486 HydrophobicContact CE-CB 3.67Å; M454-L486 HydrophobicContact SD-CB 3.59Å; M454-L486 VanDerWaalsContact SD-CB 3.59Å; M454-L486 HydrophobicContact SD-CD1 4.34Å; L479-L486 HydrophobicContact CB-CD2 4.17Å; L479-L486 HydrophobicContact CD1-CB 4.44Å; L479-L486 WeakPolarHBondContact CD2-O 3.02Å; L486-G489 PolarHBondContact O-N 3.06Å; L486-K490 PolarHBondContact O-N 3.24Å
487N94.8Very high93.3Very high33 Ų3317.9 Ų17.918%0.1769%0.094CC..Hα-helixtrans-68.9-37.9176.4-63.2-62.2000111.7M454 D485 G489 K490 M491 A628 F629M454-N487 HydrophobicContact CE-CB 4.46Å; M454-N487 WeakPolarHBondContact CE-OD1 3.44Å; D485-N487 VanDerWaalsContact C-N 3.28Å; D485-N487 PolarHBondContact O-N 2.9Å; D485-N487 WeakPolarHBondContact OD1-CB 3.27Å; D485-N487 PolarHBondContact OD1-N 2.98Å; D485-N487 PolarHBondContact OD1-ND2 3.2Å; N487-G489 VanDerWaalsContact C-N 3.34Å; N487-K490 PolarHBondContact O-N 2.86Å; N487-M491 PolarHBondContact O-N 3.36Å; N487-A628 PolarHBondContact OD1-O 3.05Å; N487-F629 HydrophobicContact CB-CD1 3.64Å; N487-F629 HydrophobicContact CB-CE1 3.61Å
488L96.4Very high93.5Very high10 Ų1014 Ų145%0.0528%0.079CC..Hα-helixtrans-66.7-37.8174.3-63.4176.3000111.2V484 D485 M491 I492 A508 H511 S512 F629V484-L488 HydrophobicContact CB-CB 4.3Å; V484-L488 HydrophobicContact CG2-CB 4.15Å; D485-L488 HydrophobicContact CB-CD1 4.15Å; D485-L488 HydrophobicContact CB-CG 4.24Å; D485-L488 WeakPolarHBondContact O-CB 3.2Å; D485-L488 PolarHBondContact O-N 2.99Å; L488-M491 HydrophobicContact CD2-CE 3.77Å; L488-M491 WeakPolarHBondContact O-CB 3.19Å; L488-M491 PolarHBondContact O-N 3.28Å; L488-I492 WeakPolarHBondContact O-CG1 3.33Å; L488-I492 PolarHBondContact O-N 2.91Å; L488-I492 VanDerWaalsContact O-N 3.07Å; L488-A508 HydrophobicContact CB-CB 4.13Å; L488-H511 HydrophobicContact CD1-CB 3.98Å; L488-H511 HydrophobicContact CD2-CB 4.11Å; L488-S512 WeakPolarHBondContact CD1-OG 3.29Å; L488-F629 HydrophobicContact CD2-CE1 4.43Å; L488-F629 HydrophobicContact CD2-CZ 3.79Å
489G96.2Very high93.4Very high1 Ų115.2 Ų15.21%0.019%0.091CC..Hα-helixtrans-62.5-41.2171.600000112.2L479 D485 L486 N487 M491 I492 V493L479-G489 VanDerWaalsContact CD2-CA 3.42Å; D485-G489 PolarHBondContact O-N 3.27Å; L486-G489 PolarHBondContact O-N 3.06Å; N487-G489 VanDerWaalsContact C-N 3.34Å; G489-M491 VanDerWaalsContact C-N 3.33Å; G489-M491 PolarHBondContact O-N 3.4Å; G489-I492 WeakPolarHBondContact O-CB 3.31Å; G489-I492 PolarHBondContact O-N 3.13Å; G489-V493 PolarHBondContact O-N 3.48Å
490K96Very high93.4Very high4 Ų415 Ų152%0.0179%0.09CC..Hα-helixtrans-63.9-40.1175.6-177.5178176-178.50111M454 L475 L479 L486 N487 I492 V493 L494 G627M454-K490 HydrophobicContact CG-CD 4.07Å; M454-K490 PolarHBondContact O-NZ 3.48Å; L475-K490 HydrophobicContact CD1-CB 4.38Å; L475-K490 HydrophobicContact CD1-CG 4.44Å; L475-K490 HydrophobicContact CD2-CD 4.45Å; L475-K490 HydrophobicContact CD2-CG 4.2Å; L479-K490 VanDerWaalsContact CD2-N 3.27Å; L486-K490 PolarHBondContact O-N 3.24Å; N487-K490 PolarHBondContact O-N 2.86Å; K490-I492 VanDerWaalsContact C-N 3.34Å; K490-I492 PolarHBondContact O-N 3.43Å; K490-V493 PolarHBondContact O-N 2.9Å; K490-L494 HydrophobicContact CG-CD1 4.22Å; K490-L494 HydrophobicContact CG-CG 4.45Å; K490-L494 WeakPolarHBondContact O-CG 3.48Å; K490-L494 PolarHBondContact O-N 3.21Å; K490-G627 WeakPolarHBondContact CE-O 3.31Å; K490-G627 PolarHBondContact NZ-O 2.98Å
491M97.3Very high93.6Very high0 Ų014.7 Ų14.70%09%0.086CC..Hα-helixtrans-59.6-41.4174-170.6-177.656.300112.4N487 L488 G489 V493 L494 G495 C504 I507 A508 V624 I625 A628 F629N487-M491 PolarHBondContact O-N 3.36Å; L488-M491 HydrophobicContact CD2-CE 3.77Å; L488-M491 WeakPolarHBondContact O-CB 3.19Å; L488-M491 PolarHBondContact O-N 3.28Å; G489-M491 VanDerWaalsContact C-N 3.33Å; G489-M491 PolarHBondContact O-N 3.4Å; M491-V493 VanDerWaalsContact C-N 3.35Å; M491-L494 PolarHBondContact O-N 3.36Å; M491-G495 PolarHBondContact O-N 3.32Å; M491-C504 WeakPolarHBondContact CE-O 3.35Å; M491-C504 HydrophobicContact CG-CB 4.24Å; M491-I507 HydrophobicContact CE-CB 3.7Å; M491-I507 HydrophobicContact CE-CG2 3.54Å; M491-I507 HydrophobicContact SD-CB 4.25Å; M491-I507 HydrophobicContact SD-CD1 4.48Å; M491-I507 HydrophobicContact SD-CG2 3.84Å; M491-A508 HydrophobicContact CE-CB 4.02Å; M491-V624 HydrophobicContact CG-CG1 4.15Å; M491-I625 HydrophobicContact SD-CG1 4.25Å; M491-A628 HydrophobicContact CB-CB 3.49Å; M491-A628 VanDerWaalsContact CB-CB 3.49Å; M491-A628 HydrophobicContact CG-CB 3.99Å; M491-F629 HydrophobicContact SD-CE2 4.37Å
492I97.4Very high94Very high0 Ų014.5 Ų14.50%09%0.086CC..Hα-helixtrans-60.7-45.6175.5-69.8166.6000110.6L482 L488 G489 K490 G495 H496 L501 L505 A508 L591 V595L482-I492 HydrophobicContact CD1-CD1 4.04Å; L488-I492 WeakPolarHBondContact O-CG1 3.33Å; L488-I492 PolarHBondContact O-N 2.91Å; L488-I492 VanDerWaalsContact O-N 3.07Å; G489-I492 WeakPolarHBondContact O-CB 3.31Å; G489-I492 PolarHBondContact O-N 3.13Å; K490-I492 VanDerWaalsContact C-N 3.34Å; K490-I492 PolarHBondContact O-N 3.43Å; I492-G495 PolarHBondContact O-N 3.29Å; I492-H496 PolarHBondContact O-N 3.3Å; I492-L501 HydrophobicContact CG2-CD1 3.73Å; I492-L501 WeakPolarHBondContact O-CD1 3.32Å; I492-L505 HydrophobicContact CD1-CD2 4.09Å; I492-L505 HydrophobicContact CG1-CD2 4.2Å; I492-L505 HydrophobicContact CG2-CD2 4.05Å; I492-A508 HydrophobicContact CD1-CB 3.61Å; I492-A508 HydrophobicContact CG1-CB 3.85Å; I492-L591 HydrophobicContact CD1-CD1 4.39Å; I492-V595 HydrophobicContact CG2-CG1 3.75Å
493V95.4Very high94.2Very high2 Ų214.8 Ų14.81%0.0129%0.087CC..Hα-helixtrans-65.7-45.7179.8176.40000111.4L475 V478 G489 K490 M491 G495 H496 V497 L1183L475-V493 HydrophobicContact CD1-CB 3.94Å; L475-V493 HydrophobicContact CD1-CG1 4.13Å; L475-V493 HydrophobicContact CD1-CG2 3.78Å; V478-V493 HydrophobicContact CB-CG2 4.15Å; V478-V493 HydrophobicContact CG1-CG2 3.71Å; G489-V493 PolarHBondContact O-N 3.48Å; K490-V493 PolarHBondContact O-N 2.9Å; M491-V493 VanDerWaalsContact C-N 3.35Å; V493-G495 VanDerWaalsContact C-N 3.28Å; V493-G495 PolarHBondContact O-N 2.94Å; V493-H496 WeakPolarHBondContact O-CB 3.26Å; V493-H496 PolarHBondContact O-N 2.99Å; V493-H496 VanDerWaalsContact O-N 3.15Å; V493-V497 WeakPolarHBondContact O-CG2 3.44Å; V493-V497 PolarHBondContact O-N 2.8Å; V493-V497 VanDerWaalsContact O-N 3.07Å; V493-L1183 HydrophobicContact CG1-CD1 3.85Å; V493-L1183 HydrophobicContact CG1-CD2 3.46Å; V493-L1183 VanDerWaalsContact CG1-CD2 3.46Å; V493-L1183 HydrophobicContact CG1-CG 4.33Å
494L95.6Very high94.6Very high2 Ų212.1 Ų12.11%0.017%0.07CC..Hα-helixtrans-63.4-36.4173.9-68.8178.1000111.5K490 M491 H496 V497 F498 V624 A628 F1118K490-L494 HydrophobicContact CG-CD1 4.22Å; K490-L494 HydrophobicContact CG-CG 4.45Å; K490-L494 WeakPolarHBondContact O-CG 3.48Å; K490-L494 PolarHBondContact O-N 3.21Å; M491-L494 PolarHBondContact O-N 3.36Å; L494-H496 VanDerWaalsContact C-N 3.28Å; L494-H496 PolarHBondContact O-N 3.37Å; L494-V497 PolarHBondContact O-N 3.04Å; L494-V497 VanDerWaalsContact O-N 3.09Å; L494-F498 HydrophobicContact CD2-CE2 4.48Å; L494-F498 WeakPolarHBondContact O-CD2 3.42Å; L494-F498 PolarHBondContact O-N 2.88Å; L494-V624 HydrophobicContact CB-CG1 3.83Å; L494-A628 HydrophobicContact CD1-CB 4.32Å; L494-F1118 HydrophobicContact CD1-CE1 4.39Å
495G95Very high94.9Very high0 Ų011.2 Ų11.20%07%0.065CC..Hα-helixtrans-60-37.7173.200000112.6M491 I492 V493 G499 C500 L501 C504M491-G495 PolarHBondContact O-N 3.32Å; I492-G495 PolarHBondContact O-N 3.29Å; V493-G495 VanDerWaalsContact C-N 3.28Å; V493-G495 PolarHBondContact O-N 2.94Å; G495-G499 CarbonylContact O-C 3.48Å; G495-G499 WeakPolarHBondContact O-CA 3.48Å; G495-G499 PolarHBondContact O-N 2.95Å; G495-C500 CarbonylContact O-C 3.54Å; G495-C500 PolarHBondContact O-N 3.48Å; G495-L501 PolarHBondContact O-N 3.26Å; G495-L501 VanDerWaalsContact O-N 3.13Å; G495-C504 VanDerWaalsContact CA-SG 3.59Å
496H94Very high95.2Very high4 Ų47.5 Ų7.52%0.0195%0.045CC..Hα-helixtrans-65-45170.4177.970.5000112I492 V493 L494 F498 G499 L501 M600 L1182 Q1202I492-H496 PolarHBondContact O-N 3.3Å; V493-H496 WeakPolarHBondContact O-CB 3.26Å; V493-H496 PolarHBondContact O-N 2.99Å; V493-H496 VanDerWaalsContact O-N 3.15Å; L494-H496 VanDerWaalsContact C-N 3.28Å; L494-H496 PolarHBondContact O-N 3.37Å; H496-F498 VanDerWaalsContact C-N 3.35Å; H496-F498 PolarHBondContact O-N 3.29Å; H496-G499 PolarHBondContact O-N 3.4Å; H496-L501 HydrophobicContact CB-CD1 4.27Å; H496-L501 HydrophobicContact CB-CD2 4.49Å; H496-M600 HydrophobicContact CB-CG 4.15Å; H496-M600 HydrophobicContact CB-SD 3.81Å; H496-L1182 VanDerWaalsContact CD2-CD2 3.48Å; H496-L1182 WeakPolarHBondContact CD2-CD2 3.47Å; H496-L1182 WeakPolarHBondContact NE2-CD2 3.43Å; H496-Q1202 PolarHBondContact CE1-NE2 3.44Å; H496-Q1202 WeakPolarHBondContact O-CG 3.46Å; H496-Q1202 PolarHBondContact O-NE2 3.22Å
497V93Very high95.4Very high0 Ų07 Ų70%04%0.042CC..Hα-helixtrans-60.7-42.4-179.7173.60000112.5V493 L494 I1179 L1182 L1183 C1205V493-V497 WeakPolarHBondContact O-CG2 3.44Å; V493-V497 PolarHBondContact O-N 2.8Å; V493-V497 VanDerWaalsContact O-N 3.07Å; L494-V497 PolarHBondContact O-N 3.04Å; L494-V497 VanDerWaalsContact O-N 3.09Å; V497-I1179 HydrophobicContact CG1-CB 4.33Å; V497-I1179 HydrophobicContact CG1-CG1 3.94Å; V497-I1179 HydrophobicContact CG1-CG2 4.2Å; V497-L1182 HydrophobicContact CG1-CD1 4.38Å; V497-L1182 HydrophobicContact CG2-CB 4.3Å; V497-L1182 HydrophobicContact CG2-CD2 4.32Å; V497-L1183 HydrophobicContact CG2-CD1 3.81Å; V497-L1183 HydrophobicContact CG2-CD2 3.79Å; V497-L1183 HydrophobicContact CG2-CG 3.8Å; V497-C1205 HydrophobicContact CG1-CB 4.34Å
498F93.5Very high95.5Very high0 Ų05.4 Ų5.40%03%0.034CC..Hα-helixtrans-93.6-0.8-177.7-68.2-76.1000113.9L494 H496 I620 V624 L1175 I1179 C1205 R1206 L1209L494-F498 HydrophobicContact CD2-CE2 4.48Å; L494-F498 WeakPolarHBondContact O-CD2 3.42Å; L494-F498 PolarHBondContact O-N 2.88Å; H496-F498 VanDerWaalsContact C-N 3.35Å; H496-F498 PolarHBondContact O-N 3.29Å; F498-I620 HydrophobicContact CB-CG2 3.64Å; F498-I620 HydrophobicContact CG-CG2 4.34Å; F498-V624 HydrophobicContact CB-CG2 3.85Å; F498-V624 HydrophobicContact CD2-CG2 3.48Å; F498-V624 VanDerWaalsContact CD2-CG2 3.48Å; F498-V624 HydrophobicContact CE2-CG2 4.3Å; F498-V624 HydrophobicContact CG-CG2 3.9Å; F498-L1175 HydrophobicContact CE1-CD1 4.37Å; F498-I1179 HydrophobicContact CE2-CD1 4.47Å; F498-I1179 HydrophobicContact CZ-CD1 3.96Å; F498-I1179 HydrophobicContact CZ-CG1 4.28Å; F498-C1205 HydrophobicContact CD1-CB 4.18Å; F498-C1205 HydrophobicContact CE1-CB 4.23Å; F498-R1206 WeakPolarHBondContact O-CD 3.42Å; F498-R1206 WeakPolarHBondContact O-CG 3.4Å; F498-R1206 PolarHBondContact O-NH1 3.34Å; F498-L1209 HydrophobicContact CD1-CD1 3.9Å; F498-L1209 HydrophobicContact CE1-CB 4.32Å; F498-L1209 HydrophobicContact CE1-CD1 3.49Å; F498-L1209 VanDerWaalsContact CE1-CD1 3.49Å; F498-L1209 HydrophobicContact CZ-CD1 4.09Å
499G90.9Very high95.4Very high24 Ų244.9 Ų4.925%0.2473%0.031CC..THydrogen-bonded Turntrans72.232.8179.500000115.4G495 H496 Q617G495-G499 CarbonylContact O-C 3.48Å; G495-G499 WeakPolarHBondContact O-CA 3.48Å; G495-G499 PolarHBondContact O-N 2.95Å; H496-G499 PolarHBondContact O-N 3.4Å; G499-Q617 PolarHBondContact O-NE2 3.38Å
500C93.6Very high95.4Very high0 Ų05 Ų50%03%0.031CC..  trans-118.536.4169.5630000111.8G495 D502 E503 C504 Q617 L621G495-C500 CarbonylContact O-C 3.54Å; G495-C500 PolarHBondContact O-N 3.48Å; C500-D502 VanDerWaalsContact C-N 3.35Å; C500-D502 PolarHBondContact O-N 3.38Å; C500-E503 WeakPolarHBondContact CA-OE2 3.46Å; C500-E503 PolarHBondContact O-N 3.33Å; C500-C504 PolarHBondContact O-N 3.09Å; C500-C504 VanDerWaalsContact O-N 3.11Å; C500-C504 PolarHBondContact O-SG 3.14Å; C500-Q617 VanDerWaalsContact CA-NE2 3.33Å; C500-L621 HydrophobicContact CB-CD1 4.4Å
501L94.7Very high95.2Very high10 Ų106.2 Ų6.25%0.0524%0.037CC..Hα-helixtrans-61.1-40.8-175.5179.659.6000112.3I492 G495 H496 C504 L505 M600 V602I492-L501 HydrophobicContact CG2-CD1 3.73Å; I492-L501 WeakPolarHBondContact O-CD1 3.32Å; G495-L501 PolarHBondContact O-N 3.26Å; G495-L501 VanDerWaalsContact O-N 3.13Å; H496-L501 HydrophobicContact CB-CD1 4.27Å; H496-L501 HydrophobicContact CB-CD2 4.49Å; L501-C504 PolarHBondContact O-N 2.98Å; L501-L505 HydrophobicContact CD1-CD1 4.18Å; L501-L505 HydrophobicContact CD1-CG 4.05Å; L501-L505 HydrophobicContact CG-CD1 3.96Å; L501-L505 HydrophobicContact CG-CG 4.31Å; L501-L505 WeakPolarHBondContact O-CB 3.34Å; L501-L505 VanDerWaalsContact O-CG 3.27Å; L501-L505 WeakPolarHBondContact O-CG 3.24Å; L501-L505 PolarHBondContact O-N 3.07Å; L501-M600 HydrophobicContact CD2-CB 4.08Å; L501-V602 HydrophobicContact CD2-CG2 4.24Å; L501-V602 HydrophobicContact CG-CG2 4.26Å
502D94.5Very high94.9Very high36 Ų368.2 Ų8.219%0.1935%0.051CC..Hα-helixtrans-59.8-50.5179.9-176.551.8000111.6C500 C504 L505 I506 R550 Y588 V602C500-D502 VanDerWaalsContact C-N 3.35Å; C500-D502 PolarHBondContact O-N 3.38Å; D502-C504 VanDerWaalsContact C-N 3.33Å; D502-C504 PolarHBondContact O-N 3.25Å; D502-L505 PolarHBondContact O-N 3.15Å; D502-I506 WeakPolarHBondContact O-CG1 3.35Å; D502-I506 PolarHBondContact O-N 3.07Å; D502-I506 VanDerWaalsContact O-N 3.11Å; D502-R550 IonicContact OD2-CZ 3.9Å; D502-R550 IonicContact OD2-NE 3.34Å; D502-R550 IonicContact OD2-NH2 3.54Å; D502-R550 PolarHBondContact OD2-NH2 3.15Å; D502-Y588 WeakPolarHBondContact OD1-CE2 3.41Å; D502-Y588 PolarHBondContact OD1-OH 3.2Å; D502-V602 HydrophobicContact CB-CG1 3.91Å
503E95.4Very high94.4Very high18 Ų1810.6 Ų10.68%0.0846%0.064CC..Hα-helixtrans-60.6-43.1176.8-65.186.9175.300111.7C500 L505 I506 I507 V546 R550 L621C500-E503 WeakPolarHBondContact CA-OE2 3.46Å; C500-E503 PolarHBondContact O-N 3.33Å; E503-L505 PolarHBondContact O-N 3.36Å; E503-I506 PolarHBondContact O-N 3.23Å; E503-I507 WeakPolarHBondContact O-CD1 3.37Å; E503-I507 VanDerWaalsContact O-CG1 3.23Å; E503-I507 WeakPolarHBondContact O-CG1 3.49Å; E503-I507 PolarHBondContact O-N 3.4Å; E503-V546 HydrophobicContact CB-CG1 4.39Å; E503-V546 HydrophobicContact CB-CG2 4.31Å; E503-V546 HydrophobicContact CG-CG1 3.96Å; E503-R550 IonicContact OE1-CZ 3.47Å; E503-R550 IonicContact OE1-NH1 2.77Å; E503-R550 PolarHBondContact OE1-NH1 3.08Å; E503-R550 IonicContact OE1-NH2 3.34Å; E503-R550 PolarHBondContact OE1-NH2 2.87Å; E503-R550 IonicContact OE2-NH2 2.87Å; E503-L621 HydrophobicContact CB-CD1 4.04Å; E503-L621 HydrophobicContact CB-CD2 3.61Å; E503-L621 HydrophobicContact CB-CG 4.49Å; E503-L621 HydrophobicContact CG-CD2 3.87Å
504C97.5Very high93.8Very high0 Ų014.3 Ų14.30%08%0.08CC..Hα-helixtrans-66.4-36.6-179.1-64.90000112.2M491 G495 C500 L501 D502 I507 A508M491-C504 WeakPolarHBondContact CE-O 3.35Å; M491-C504 HydrophobicContact CG-CB 4.24Å; G495-C504 VanDerWaalsContact CA-SG 3.59Å; C500-C504 PolarHBondContact O-N 3.09Å; C500-C504 VanDerWaalsContact O-N 3.11Å; C500-C504 PolarHBondContact O-SG 3.14Å; L501-C504 PolarHBondContact O-N 2.98Å; D502-C504 VanDerWaalsContact C-N 3.33Å; D502-C504 PolarHBondContact O-N 3.25Å; C504-I507 PolarHBondContact O-N 3.39Å; C504-A508 VanDerWaalsContact O-CB 3.23Å; C504-A508 WeakPolarHBondContact O-CB 3.48Å; C504-A508 PolarHBondContact O-N 3.33Å
505L97.3Very high93.4Very high0 Ų017.4 Ų17.40%010%0.101CC..Hα-helixtrans-64.1-42173.4-72.9169.1000111.4I492 L501 D502 E503 A508 A509 Y588 L591 K592 V595 V602I492-L505 HydrophobicContact CD1-CD2 4.09Å; I492-L505 HydrophobicContact CG1-CD2 4.2Å; I492-L505 HydrophobicContact CG2-CD2 4.05Å; L501-L505 HydrophobicContact CD1-CD1 4.18Å; L501-L505 HydrophobicContact CD1-CG 4.05Å; L501-L505 HydrophobicContact CG-CD1 3.96Å; L501-L505 HydrophobicContact CG-CG 4.31Å; L501-L505 WeakPolarHBondContact O-CB 3.34Å; L501-L505 VanDerWaalsContact O-CG 3.27Å; L501-L505 WeakPolarHBondContact O-CG 3.24Å; L501-L505 PolarHBondContact O-N 3.07Å; D502-L505 PolarHBondContact O-N 3.15Å; E503-L505 PolarHBondContact O-N 3.36Å; L505-A508 PolarHBondContact O-N 3.02Å; L505-A509 VanDerWaalsContact O-CB 3.28Å; L505-A509 WeakPolarHBondContact O-CB 3.42Å; L505-A509 PolarHBondContact O-N 3.3Å; L505-Y588 HydrophobicContact CB-CD2 3.72Å; L505-Y588 HydrophobicContact CB-CE2 3.76Å; L505-Y588 HydrophobicContact CD1-CE2 4.39Å; L505-L591 HydrophobicContact CD2-CB 3.68Å; L505-K592 HydrophobicContact CD1-CB 4.23Å; L505-V595 HydrophobicContact CD2-CG1 4.36Å; L505-V595 HydrophobicContact CD2-CG2 4.35Å; L505-V602 HydrophobicContact CD1-CG2 3.53Å
506I97.2Very high93.2Very high2 Ų217.4 Ų17.41%0.0110%0.101CC..Hα-helixtrans-62.8-47.2176.2-65163.9000110.5D502 E503 A509 S510 V545 V546 F549 R550 Y588D502-I506 WeakPolarHBondContact O-CG1 3.35Å; D502-I506 PolarHBondContact O-N 3.07Å; D502-I506 VanDerWaalsContact O-N 3.11Å; E503-I506 PolarHBondContact O-N 3.23Å; I506-A509 PolarHBondContact O-N 3.35Å; I506-S510 WeakPolarHBondContact O-CB 3.4Å; I506-S510 PolarHBondContact O-N 2.91Å; I506-V545 HydrophobicContact CG2-CG1 4.44Å; I506-V546 HydrophobicContact CB-CG2 4.44Å; I506-V546 HydrophobicContact CG2-CG2 4.23Å; I506-F549 HydrophobicContact CB-CD1 4.44Å; I506-F549 HydrophobicContact CD1-CD1 3.72Å; I506-F549 HydrophobicContact CD1-CE1 4.17Å; I506-F549 HydrophobicContact CG1-CD1 3.72Å; I506-F549 HydrophobicContact CG1-CE1 3.93Å; I506-F549 HydrophobicContact CG1-CG 4.47Å; I506-F549 HydrophobicContact CG2-CB 3.67Å; I506-F549 HydrophobicContact CG2-CD1 3.83Å; I506-F549 HydrophobicContact CG2-CD2 4.48Å; I506-F549 HydrophobicContact CG2-CG 3.74Å; I506-R550 HydrophobicContact CD1-CG 4.2Å; I506-Y588 HydrophobicContact CG1-CD2 3.73Å; I506-Y588 HydrophobicContact CG1-CE2 3.73Å
507I97.3Very high93Very high0 Ų017.8 Ų17.80%010%0.103CC..Hα-helixtrans-62.4-47.9179.3-63.9161.7000109.9M491 E503 C504 A509 S510 H511 V546 L621 I625M491-I507 HydrophobicContact CE-CB 3.7Å; M491-I507 HydrophobicContact CE-CG2 3.54Å; M491-I507 HydrophobicContact SD-CB 4.25Å; M491-I507 HydrophobicContact SD-CD1 4.48Å; M491-I507 HydrophobicContact SD-CG2 3.84Å; E503-I507 WeakPolarHBondContact O-CD1 3.37Å; E503-I507 VanDerWaalsContact O-CG1 3.23Å; E503-I507 WeakPolarHBondContact O-CG1 3.49Å; E503-I507 PolarHBondContact O-N 3.4Å; C504-I507 PolarHBondContact O-N 3.39Å; I507-A509 PolarHBondContact O-N 2.97Å; I507-S510 PolarHBondContact O-N 2.93Å; I507-H511 WeakPolarHBondContact CG2-CD2 3.34Å; I507-H511 WeakPolarHBondContact O-CB 3.37Å; I507-H511 PolarHBondContact O-N 3.21Å; I507-V546 HydrophobicContact CD1-CG2 3.78Å; I507-V546 HydrophobicContact CG1-CG2 3.38Å; I507-L621 HydrophobicContact CD1-CD1 4.02Å; I507-L621 HydrophobicContact CD1-CD2 4.24Å; I507-L621 HydrophobicContact CD1-CG 4.45Å; I507-I625 HydrophobicContact CD1-CD1 4.31Å
508A96.9Very high92.2Very high0 Ų018.6 Ų18.60%011%0.11CC..Hα-helixtrans-61.2-43.2179.300000112.2L488 M491 I492 C504 L505 S512 L591L488-A508 HydrophobicContact CB-CB 4.13Å; M491-A508 HydrophobicContact CE-CB 4.02Å; I492-A508 HydrophobicContact CD1-CB 3.61Å; I492-A508 HydrophobicContact CG1-CB 3.85Å; C504-A508 VanDerWaalsContact O-CB 3.23Å; C504-A508 WeakPolarHBondContact O-CB 3.48Å; C504-A508 PolarHBondContact O-N 3.33Å; L505-A508 PolarHBondContact O-N 3.02Å; A508-S512 VanDerWaalsContact O-CB 3.25Å; A508-S512 WeakPolarHBondContact O-CB 3.45Å; A508-S512 PolarHBondContact O-N 3.25Å; A508-S512 VanDerWaalsContact O-N 3.1Å; A508-S512 PolarHBondContact O-OG 3.18Å; A508-L591 HydrophobicContact CB-CD1 4.25Å
509A95.8Very high91.2Very high0 Ų020.6 Ų20.60%012%0.12CC..Hα-helixtrans-64.2-42.5176.500000112.1L505 I506 I507 V584 L587 L591L505-A509 VanDerWaalsContact O-CB 3.28Å; L505-A509 WeakPolarHBondContact O-CB 3.42Å; L505-A509 PolarHBondContact O-N 3.3Å; I506-A509 PolarHBondContact O-N 3.35Å; I507-A509 PolarHBondContact O-N 2.97Å; A509-V584 HydrophobicContact CB-CG1 3.97Å; A509-L587 HydrophobicContact CB-CB 4.09Å; A509-L587 HydrophobicContact CB-CD2 4.12Å; A509-L587 HydrophobicContact CB-CG 3.89Å; A509-L587 WeakPolarHBondContact O-CD2 3.5Å; A509-L591 HydrophobicContact CB-CD1 4.13Å
510S94.9Very high90.1Very high2 Ų222.1 Ų22.11%0.01413%0.125CC..Hα-helixtrans-69-46.2-179.3-176.70000112.8I506 I507 S512 L513 F516 V545I506-S510 WeakPolarHBondContact O-CB 3.4Å; I506-S510 PolarHBondContact O-N 2.91Å; I507-S510 PolarHBondContact O-N 2.93Å; S510-S512 VanDerWaalsContact C-N 3.34Å; S510-L513 CarbonylContact O-C 3.59Å; S510-L513 PolarHBondContact O-N 2.84Å; S510-L513 VanDerWaalsContact O-O 3.06Å; S510-F516 WeakPolarHBondContact OG-CE1 3.46Å; S510-V545 WeakPolarHBondContact OG-CG1 3.22Å
511H92.9Very high88.7Confident30 Ų3025.4 Ų25.414%0.13915%0.153CC..Hα-helixtrans-75.8-21.8-176.8-69.1-30.7000113.2L488 I507 L513 S542 D1100L488-H511 HydrophobicContact CD1-CB 3.98Å; L488-H511 HydrophobicContact CD2-CB 4.11Å; I507-H511 WeakPolarHBondContact CG2-CD2 3.34Å; I507-H511 WeakPolarHBondContact O-CB 3.37Å; I507-H511 PolarHBondContact O-N 3.21Å; H511-L513 PolarHBondContact O-N 3.48Å; H511-S542 PolarHBondContact NE2-OG 3.25Å; H511-D1100 IonicContact CE1-OD1 3.89Å; H511-D1100 PolarHBondContact CE1-OD1 2.95Å; H511-D1100 IonicContact ND1-OD1 3.05Å; H511-D1100 IonicContact ND1-OD2 2.65Å
512S90.4Very high87.4Confident43 Ų4334.1 Ų34.130%0.30120%0.195SC..THydrogen-bonded Turntrans-73.5-16.9171.2-59.80000113.1V484 L488 A508 S510V484-S512 WeakPolarHBondContact CB-OG 3.38Å; V484-S512 WeakPolarHBondContact CG1-OG 3.45Å; L488-S512 WeakPolarHBondContact CD1-OG 3.29Å; A508-S512 VanDerWaalsContact O-CB 3.25Å; A508-S512 WeakPolarHBondContact O-CB 3.45Å; A508-S512 PolarHBondContact O-N 3.25Å; A508-S512 VanDerWaalsContact O-N 3.1Å; A508-S512 PolarHBondContact O-OG 3.18Å; S510-S512 VanDerWaalsContact C-N 3.34Å
513L87.1Confident86.6Confident49 Ų4937.5 Ų37.526%0.25721%0.21SC..SBendtrans-114.5178.7-179.8-63.6177.8000110.4S510 H511 E583 V584 L587S510-L513 CarbonylContact O-C 3.59Å; S510-L513 PolarHBondContact O-N 2.84Å; S510-L513 VanDerWaalsContact O-O 3.06Å; H511-L513 PolarHBondContact O-N 3.48Å; L513-E583 HydrophobicContact CD1-CB 4.03Å; L513-V584 HydrophobicContact CB-CG2 4.38Å; L513-V584 HydrophobicContact CD1-CG2 3.94Å; L513-L587 HydrophobicContact CD1-CB 4.21Å; L513-L587 HydrophobicContact CD1-CD2 3.91Å; L513-L587 HydrophobicContact CD2-CD2 4.39Å; L513-L587 HydrophobicContact CG-CD2 3.84Å
514K82.5Confident85.7Confident81 Ų8139 Ų3935%0.35222%0.217SC..  trans-74.7135.5173.8-65.6-172.3179.2-169.20109.4S302 S303 F516S302-K514 PolarHBondContact O-NZ 3.24Å; S302-K514 PolarHBondContact OG-NZ 3.06Å; S303-K514 VanDerWaalsContact N-NZ 3.19Å; K514-F516 PolarHBondContact O-N 3.32Å
515S86.3Confident85.1Confident66 Ų6639.4 Ų39.446%0.46222%0.219SC..  trans-44.8127.9175.1166.60000111.6F517S515-F517 VanDerWaalsContact C-N 3.28Å; S515-F517 PolarHBondContact OG-N 2.89Å
516F90.9Very high84.5Confident0 Ų041.3 Ų41.30%024%0.235CC..  trans-78.1-10.7174.755.3-105.6000113S510 K514 A518 V545 A548 I576 Q577 R580 I581 V584S510-F516 WeakPolarHBondContact OG-CE1 3.46Å; K514-F516 PolarHBondContact O-N 3.32Å; F516-A518 PolarHBondContact O-N 3.08Å; F516-V545 HydrophobicContact CE1-CG1 3.98Å; F516-V545 HydrophobicContact CZ-CB 4.29Å; F516-V545 HydrophobicContact CZ-CG1 3.99Å; F516-V545 HydrophobicContact CZ-CG2 4.3Å; F516-A548 HydrophobicContact CE2-CB 3.78Å; F516-A548 HydrophobicContact CZ-CB 4.14Å; F516-I576 HydrophobicContact CB-CG2 4.42Å; F516-I576 HydrophobicContact CD2-CG1 4.13Å; F516-I576 HydrophobicContact CD2-CG2 3.95Å; F516-I576 HydrophobicContact CE2-CG1 4.5Å; F516-I576 CarbonylContact O-C 3.56Å; F516-I576 WeakPolarHBondContact O-CA 3.4Å; F516-Q577 PolarHBondContact O-N 3.35Å; F516-R580 HydrophobicContact CB-CB 3.63Å; F516-I581 HydrophobicContact CB-CB 4.14Å; F516-I581 HydrophobicContact CD1-CG1 4.46Å; F516-I581 HydrophobicContact CD2-CD1 4.42Å; F516-I581 HydrophobicContact CE2-CD1 4.47Å; F516-I581 HydrophobicContact CG-CB 4.21Å; F516-I581 HydrophobicContact CG-CG1 4.44Å; F516-V584 HydrophobicContact CD1-CG2 4.07Å
517F89.8Confident83.9Confident13 Ų1341.2 Ų41.26%0.05724%0.235CC..BIsolated β-bridgetrans-67.4119.9170.1-69.8-75.8000110.4S515 K531 F534 A544 V545 A548 F575 I576S515-F517 VanDerWaalsContact C-N 3.28Å; S515-F517 PolarHBondContact OG-N 2.89Å; F517-K531 HydrophobicContact CD1-CB 4.13Å; F517-K531 HydrophobicContact CD1-CG 4.14Å; F517-K531 HydrophobicContact CD2-CD 4.19Å; F517-K531 HydrophobicContact CD2-CG 4.16Å; F517-K531 HydrophobicContact CE1-CB 4.15Å; F517-K531 HydrophobicContact CE1-CG 4.04Å; F517-K531 HydrophobicContact CE2-CD 4.46Å; F517-K531 HydrophobicContact CE2-CG 4.05Å; F517-K531 HydrophobicContact CG-CD 4.31Å; F517-K531 HydrophobicContact CG-CG 4.2Å; F517-K531 HydrophobicContact CZ-CG 3.99Å; F517-F534 AromaticContact CE1-CD2 3.81Å; F517-F534 HydrophobicContact CE1-CD2 3.81Å; F517-F534 HydrophobicContact CE1-CE2 4.41Å; F517-F534 HydrophobicContact CZ-CB 4.48Å; F517-F534 HydrophobicContact CZ-CD2 4.33Å; F517-A544 HydrophobicContact CZ-CB 4.46Å; F517-V545 HydrophobicContact CE2-CG2 3.96Å; F517-A548 HydrophobicContact CE1-CB 4.23Å; F517-A548 HydrophobicContact CZ-CB 3.76Å; F517-F575 CarbonylContact C-O 3.57Å; F517-I576 HydrophobicContact CD1-CG1 4.32Å; F517-I576 HydrophobicContact CE1-CG1 4.44Å
518A76.9Confident83.5Confident17 Ų1741.2 Ų41.214%0.1424%0.235CC..  trans-83.8123.3172.800000109.8F516 P520 F575 Q577F516-A518 PolarHBondContact O-N 3.08Å; A518-P520 WeakPolarHBondContact O-CD 3.4Å; A518-F575 WeakPolarHBondContact CB-O 3.19Å; A518-F575 PolarHBondContact N-O 3.14Å; A518-Q577 HydrophobicContact CB-CG 3.86Å
519I72Confident83.1Confident42 Ų4245.6 Ų45.622%0.21525%0.251CS..  trans-121.980.4170.5-53.8178.8000107.9Q524 N1063I519-Q524 HydrophobicContact CG2-CB 4.05Å; I519-Q524 HydrophobicContact CG2-CG 4.07Å; I519-N1063 HydrophobicContact CD1-CB 3.95Å
520P68.7Low82.8Confident55 Ų5546.2 Ų46.236%0.35726%0.256SS..  trans-59.4144.3177.5-20.232.1000110.9A518 M522 Q523 Q524A518-P520 WeakPolarHBondContact O-CD 3.4Å; P520-M522 PolarHBondContact O-N 3.45Å; P520-M522 VanDerWaalsContact O-N 3.15Å; P520-Q523 HydrophobicContact CB-CB 4.37Å; P520-Q523 CarbonylContact O-C 3.58Å; P520-Q523 PolarHBondContact O-N 3.15Å; P520-Q524 WeakPolarHBondContact O-CG 3.06Å; P520-Q524 PolarHBondContact O-N 3.03Å
521A63.7Low82.6Confident70 Ų7047 Ų4758%0.57926%0.259SS*.THydrogen-bonded Turntrans-58.6-32.3-175.300000113.6Q524A521-Q524 WeakPolarHBondContact O-CG 3.46Å
522M67.8Low82.4Confident192 Ų19246.8 Ų46.895%0.94626%0.259SS*.THydrogen-bonded Turntrans-84-14.2177.6-66.8-175.6171.700114P520P520-M522 PolarHBondContact O-N 3.45Å; P520-M522 VanDerWaalsContact O-N 3.15Å
523Q77.1Confident82.4Confident107 Ų10748.1 Ų48.150%0.527%0.272SS..  trans-127.934.8-173.1-65.8179.4-10.800111.7P520 L525 A526 G527 F575P520-Q523 HydrophobicContact CB-CB 4.37Å; P520-Q523 CarbonylContact O-C 3.58Å; P520-Q523 PolarHBondContact O-N 3.15Å; Q523-L525 VanDerWaalsContact C-N 3.33Å; Q523-L525 PolarHBondContact O-N 3.22Å; Q523-A526 HydrophobicContact CB-CB 4.47Å; Q523-A526 PolarHBondContact O-N 3.42Å; Q523-G527 PolarHBondContact O-N 2.99Å; Q523-F575 HydrophobicContact CB-CE1 4.11Å
524Q77.5Confident82.7Confident50 Ų5046.9 Ų46.923%0.23427%0.265CS..Hα-helixtrans-60.2-40.6-172.2-66.1-176.62.400113.4I519 P520 A521 H528 K719I519-Q524 HydrophobicContact CG2-CB 4.05Å; I519-Q524 HydrophobicContact CG2-CG 4.07Å; P520-Q524 WeakPolarHBondContact O-CG 3.06Å; P520-Q524 PolarHBondContact O-N 3.03Å; A521-Q524 WeakPolarHBondContact O-CG 3.46Å; Q524-H528 PolarHBondContact O-N 3.48Å; Q524-H528 VanDerWaalsContact O-N 3.1Å; Q524-K719 HydrophobicContact CB-CD 4.37Å
525L84.4Confident82.9Confident9 Ų943.4 Ų43.45%0.04725%0.251CS..Hα-helixtrans-68.4-39.8178.9-66172000111.9Q523 H528 R529 L679 L712 M716 F721Q523-L525 VanDerWaalsContact C-N 3.33Å; Q523-L525 PolarHBondContact O-N 3.22Å; L525-H528 PolarHBondContact O-N 2.84Å; L525-R529 WeakPolarHBondContact O-CB 3.42Å; L525-R529 PolarHBondContact O-N 2.84Å; L525-L679 HydrophobicContact CD1-CB 3.88Å; L525-L679 HydrophobicContact CD1-CD1 4.28Å; L525-L712 WeakPolarHBondContact CD2-O 3.36Å; L525-L712 WeakPolarHBondContact O-CD2 3.31Å; L525-M716 HydrophobicContact CD1-CG 3.92Å; L525-M716 HydrophobicContact CD1-SD 4.33Å; L525-M716 HydrophobicContact CD2-CG 3.89Å; L525-F721 HydrophobicContact CG-CZ 4.42Å
526A84.9Confident82.8Confident39 Ų3948.3 Ų48.332%0.32226%0.259SS..Hα-helixtrans-67.8-41.6179.400000111.8Q523 H528 R529 S530 F575Q523-A526 HydrophobicContact CB-CB 4.47Å; Q523-A526 PolarHBondContact O-N 3.42Å; A526-H528 VanDerWaalsContact C-N 3.35Å; A526-H528 PolarHBondContact O-N 3.36Å; A526-R529 PolarHBondContact O-N 3.35Å; A526-S530 PolarHBondContact O-N 2.95Å; A526-F575 HydrophobicContact CB-CE1 3.91Å; A526-F575 HydrophobicContact CB-CE2 3.89Å; A526-F575 HydrophobicContact CB-CZ 3.35Å
527G85Confident82.3Confident1 Ų150.5 Ų50.51%0.0128%0.281CS..Hα-helixtrans-62.2-40.117300000112.7Q523 S530 K531Q523-G527 PolarHBondContact O-N 2.99Å; G527-S530 PolarHBondContact O-N 3.26Å; G527-K531 PolarHBondContact O-N 3.34Å; G527-K531 VanDerWaalsContact O-N 3.13Å
528H87.3Confident82.1Confident0 Ų050 Ų500%028%0.28CS..Hα-helixtrans-68.8-41.2176.4-163.6-86.6000112.7Q524 L525 A526 S530 K531 L532 L712 Q715 S1064 I1065Q524-H528 PolarHBondContact O-N 3.48Å; Q524-H528 VanDerWaalsContact O-N 3.1Å; L525-H528 PolarHBondContact O-N 2.84Å; A526-H528 VanDerWaalsContact C-N 3.35Å; A526-H528 PolarHBondContact O-N 3.36Å; H528-S530 VanDerWaalsContact C-N 3.28Å; H528-S530 PolarHBondContact O-N 2.87Å; H528-K531 PolarHBondContact O-N 2.78Å; H528-K531 VanDerWaalsContact O-N 3.12Å; H528-L532 VanDerWaalsContact CE1-CG 3.49Å; H528-L532 WeakPolarHBondContact CE1-CG 3.45Å; H528-L532 VanDerWaalsContact ND1-CD1 3.31Å; H528-L532 WeakPolarHBondContact ND1-CD1 3.39Å; H528-L532 PolarHBondContact O-N 3.44Å; H528-L712 HydrophobicContact CB-CD2 4.1Å; H528-Q715 PolarHBondContact CD2-NE2 3.26Å; H528-Q715 PolarHBondContact CD2-OE1 3.2Å; H528-Q715 VanDerWaalsContact CE1-CD 3.48Å; H528-Q715 PolarHBondContact CE1-NE2 3.26Å; H528-Q715 PolarHBondContact CE1-OE1 3.32Å; H528-Q715 PolarHBondContact ND1-NE2 2.89Å; H528-Q715 PolarHBondContact ND1-OE1 2.85Å; H528-Q715 PolarHBondContact NE2-NE2 2.92Å; H528-S1064 PolarHBondContact NE2-O 2.98Å; H528-I1065 WeakPolarHBondContact NE2-CA 3.23Å
529R88.9Confident82.7Confident91 Ų9151.2 Ų51.234%0.34329%0.286SS..Hα-helixtrans-55.2-44.5173.1-177.4178.4-125.4144.93.4111.6L525 A526 L532 A533 L679 C680 E709 L712L525-R529 WeakPolarHBondContact O-CB 3.42Å; L525-R529 PolarHBondContact O-N 2.84Å; A526-R529 PolarHBondContact O-N 3.35Å; R529-L532 PolarHBondContact O-N 3.37Å; R529-A533 PolarHBondContact O-N 2.93Å; R529-L679 PolarHBondContact NH1-O 2.83Å; R529-C680 VanDerWaalsContact CZ-O 3.26Å; R529-C680 PolarHBondContact NH1-O 3.47Å; R529-C680 PolarHBondContact NH2-O 3.37Å; R529-E709 IonicContact NH2-OE1 3.58Å; R529-E709 PolarHBondContact NH2-OE1 2.67Å; R529-L712 HydrophobicContact CB-CD1 3.86Å; R529-L712 HydrophobicContact CB-CD2 4.14Å; R529-L712 HydrophobicContact CG-CD1 4.05Å
530S90.2Very high83.7Confident14 Ų1449.2 Ų49.210%0.09828%0.276CS..Hα-helixtrans-62.4-45.8177.1-174.70000111.6A526 G527 H528 L532 A533 F534 N574A526-S530 PolarHBondContact O-N 2.95Å; G527-S530 PolarHBondContact O-N 3.26Å; H528-S530 VanDerWaalsContact C-N 3.28Å; H528-S530 PolarHBondContact O-N 2.87Å; S530-L532 PolarHBondContact O-N 3.11Å; S530-A533 WeakPolarHBondContact O-CB 3.18Å; S530-A533 PolarHBondContact O-N 3.03Å; S530-A533 VanDerWaalsContact O-N 3.16Å; S530-F534 WeakPolarHBondContact O-CD2 3.17Å; S530-F534 PolarHBondContact O-N 3.41Å; S530-F534 VanDerWaalsContact O-N 3.15Å; S530-N574 PolarHBondContact OG-O 3.17Å
531K90.9Very high84.9Confident18 Ų1846.7 Ų46.78%0.07826%0.259CS..Hα-helixtrans-60.7-42.2176-165.8-179.9177.7-169.10112.5F517 G527 H528 F534 S535 D541 A544 N1063 I1065F517-K531 HydrophobicContact CD1-CB 4.13Å; F517-K531 HydrophobicContact CD1-CG 4.14Å; F517-K531 HydrophobicContact CD2-CD 4.19Å; F517-K531 HydrophobicContact CD2-CG 4.16Å; F517-K531 HydrophobicContact CE1-CB 4.15Å; F517-K531 HydrophobicContact CE1-CG 4.04Å; F517-K531 HydrophobicContact CE2-CD 4.46Å; F517-K531 HydrophobicContact CE2-CG 4.05Å; F517-K531 HydrophobicContact CG-CD 4.31Å; F517-K531 HydrophobicContact CG-CG 4.2Å; F517-K531 HydrophobicContact CZ-CG 3.99Å; G527-K531 PolarHBondContact O-N 3.34Å; G527-K531 VanDerWaalsContact O-N 3.13Å; H528-K531 PolarHBondContact O-N 2.78Å; H528-K531 VanDerWaalsContact O-N 3.12Å; K531-F534 PolarHBondContact O-N 2.86Å; K531-S535 PolarHBondContact O-N 2.97Å; K531-D541 VanDerWaalsContact CE-OD1 3.26Å; K531-D541 WeakPolarHBondContact CE-OD1 3.35Å; K531-D541 IonicContact NZ-OD1 2.66Å; K531-D541 PolarHBondContact NZ-OD1 3.06Å; K531-A544 HydrophobicContact CG-CB 4.32Å; K531-N1063 PolarHBondContact NZ-O 2.97Å; K531-I1065 HydrophobicContact CB-CG2 4.28Å; K531-I1065 HydrophobicContact CD-CG2 3.79Å; K531-I1065 HydrophobicContact CG-CG2 3.69Å
532L88.9Confident86.4Confident25 Ų2543.4 Ų43.413%0.13123%0.232CC..Hα-helixtrans-61.2-41.3173.7-78171.2000111.9H528 R529 S530 F534 S535 T711 L712 I1065H528-L532 VanDerWaalsContact CE1-CG 3.49Å; H528-L532 WeakPolarHBondContact CE1-CG 3.45Å; H528-L532 VanDerWaalsContact ND1-CD1 3.31Å; H528-L532 WeakPolarHBondContact ND1-CD1 3.39Å; H528-L532 PolarHBondContact O-N 3.44Å; R529-L532 PolarHBondContact O-N 3.37Å; S530-L532 PolarHBondContact O-N 3.11Å; L532-F534 VanDerWaalsContact C-N 3.3Å; L532-F534 PolarHBondContact O-N 2.87Å; L532-S535 VanDerWaalsContact O-CB 3.28Å; L532-S535 WeakPolarHBondContact O-CB 3.47Å; L532-S535 PolarHBondContact O-N 3.09Å; L532-S535 PolarHBondContact O-OG 3.29Å; L532-T711 HydrophobicContact CD1-CG2 4.06Å; L532-L712 HydrophobicContact CD1-CD2 4.3Å; L532-L712 HydrophobicContact CD1-CG 4.36Å; L532-I1065 HydrophobicContact CD2-CB 3.86Å; L532-I1065 HydrophobicContact CD2-CG2 4.1Å; L532-I1065 HydrophobicContact CG-CG2 4.45Å
533A89.2Confident87.6Confident71 Ų7135 Ų3559%0.58719%0.19SC*.Hα-helixtrans-60.8-39.9177.300000112R529 S530 S535 R536R529-A533 PolarHBondContact O-N 2.93Å; S530-A533 WeakPolarHBondContact O-CB 3.18Å; S530-A533 PolarHBondContact O-N 3.03Å; S530-A533 VanDerWaalsContact O-N 3.16Å; A533-S535 PolarHBondContact O-N 3.36Å; A533-R536 PolarHBondContact O-N 2.69Å
534F92.8Very high88.4Confident23 Ų2329.9 Ų29.910%0.10117%0.167CC..Hα-helixtrans-69.5-18.9174.9-74.3-68.6000113.9F517 S530 K531 L532 R536 A544 N547 A548 A551 W570 N574 I576F517-F534 AromaticContact CE1-CD2 3.81Å; F517-F534 HydrophobicContact CE1-CD2 3.81Å; F517-F534 HydrophobicContact CE1-CE2 4.41Å; F517-F534 HydrophobicContact CZ-CB 4.48Å; F517-F534 HydrophobicContact CZ-CD2 4.33Å; S530-F534 WeakPolarHBondContact O-CD2 3.17Å; S530-F534 PolarHBondContact O-N 3.41Å; S530-F534 VanDerWaalsContact O-N 3.15Å; K531-F534 PolarHBondContact O-N 2.86Å; L532-F534 VanDerWaalsContact C-N 3.3Å; L532-F534 PolarHBondContact O-N 2.87Å; F534-R536 PolarHBondContact O-N 3.03Å; F534-A544 HydrophobicContact CB-CB 4.32Å; F534-N547 WeakPolarHBondContact O-CB 3.48Å; F534-N547 PolarHBondContact O-ND2 3.21Å; F534-A548 HydrophobicContact CB-CB 4.32Å; F534-A548 HydrophobicContact CD1-CB 3.79Å; F534-A548 HydrophobicContact CD2-CB 4.1Å; F534-A548 HydrophobicContact CE1-CB 4.07Å; F534-A548 HydrophobicContact CE2-CB 4.36Å; F534-A548 HydrophobicContact CG-CB 3.81Å; F534-A548 HydrophobicContact CZ-CB 4.35Å; F534-A551 HydrophobicContact CE1-CB 4.13Å; F534-W570 HydrophobicContact CZ-CZ2 4.48Å; F534-N574 HydrophobicContact CE2-CB 4.03Å; F534-N574 HydrophobicContact CZ-CB 4.03Å; F534-N574 WeakPolarHBondContact CZ-OD1 3.42Å; F534-I576 HydrophobicContact CE2-CD1 3.98Å; F534-I576 HydrophobicContact CZ-CD1 4.11Å
535S88.3Confident89.3Confident8 Ų827.8 Ų27.86%0.05616%0.157CC..Hα-helixtrans-69.6-19.617682.50000113.6K531 L532 A533 G537 T538K531-S535 PolarHBondContact O-N 2.97Å; L532-S535 VanDerWaalsContact O-CB 3.28Å; L532-S535 WeakPolarHBondContact O-CB 3.47Å; L532-S535 PolarHBondContact O-N 3.09Å; L532-S535 PolarHBondContact O-OG 3.29Å; A533-S535 PolarHBondContact O-N 3.36Å; S535-G537 VanDerWaalsContact C-N 3.27Å; S535-G537 PolarHBondContact O-N 3.33Å; S535-T538 WeakPolarHBondContact CB-O 3.47Å; S535-T538 WeakPolarHBondContact O-CB 3.31Å; S535-T538 PolarHBondContact O-N 3.46Å; S535-T538 PolarHBondContact O-OG1 3.06Å
536R84.1Confident89.8Confident170 Ų17027.4 Ų27.464%0.64216%0.155SC*.THydrogen-bonded Turntrans48.745.3-178.8-61.8-176.3175.1-176.5-1.2113.1A533 F534 T538A533-R536 PolarHBondContact O-N 2.69Å; F534-R536 PolarHBondContact O-N 3.03Å; R536-T538 PolarHBondContact O-N 3.31Å
537G79.1Confident90.3Very high45 Ų4526.4 Ų26.446%0.46415%0.145SC..THydrogen-bonded Turntrans76.13.7179.800000114.7S535S535-G537 VanDerWaalsContact C-N 3.27Å; S535-G537 PolarHBondContact O-N 3.33Å
538T86.1Confident90.8Very high4 Ų426.4 Ų26.43%0.02514%0.144CC..  trans-96.6120.6176-42.50000109.9S535 R536 S540 M543 K618S535-T538 WeakPolarHBondContact CB-O 3.47Å; S535-T538 WeakPolarHBondContact O-CB 3.31Å; S535-T538 PolarHBondContact O-N 3.46Å; S535-T538 PolarHBondContact O-OG1 3.06Å; R536-T538 PolarHBondContact O-N 3.31Å; T538-S540 PolarHBondContact O-N 3.47Å; T538-M543 HydrophobicContact CG2-CB 4.49Å; T538-M543 HydrophobicContact CG2-CG 3.99Å; T538-K618 HydrophobicContact CG2-CD 4.34Å; T538-K618 VanDerWaalsContact CG2-CE 3.49Å; T538-K618 WeakPolarHBondContact OG1-CE 3.48Å; T538-K618 PolarHBondContact OG1-NZ 2.8Å
539P89.1Confident91.2Very high42 Ų4226.5 Ų26.527%0.27315%0.145SC..  trans-74.360178.231.2-36.7000112.8N1066 I1103P539-N1066 VanDerWaalsContact CB-OD1 3.3Å; P539-N1066 WeakPolarHBondContact CB-OD1 3.47Å; P539-N1066 PolarHBondContact O-ND2 3.49Å; P539-N1066 PolarHBondContact O-OD1 2.92Å; P539-I1103 HydrophobicContact CB-CB 4.08Å; P539-I1103 HydrophobicContact CB-CD1 3.98Å; P539-I1103 HydrophobicContact CB-CG1 4.25Å; P539-I1103 HydrophobicContact CG-CB 3.86Å; P539-I1103 HydrophobicContact CG-CD1 4.47Å; P539-I1103 HydrophobicContact CG-CG2 4.48Å; P539-I1103 PolarHBondContact O-N 3.03Å
540S92.9Very high91.4Very high0 Ų026.3 Ų26.30%014%0.144CC..BIsolated β-bridgetrans-135.3125.5175170.50000113T538 S542 M543 A544 I1065 S1102T538-S540 PolarHBondContact O-N 3.47Å; S540-S542 VanDerWaalsContact C-N 3.3Å; S540-S542 PolarHBondContact O-N 2.74Å; S540-S542 PolarHBondContact OG-N 3.24Å; S540-M543 PolarHBondContact O-N 3.44Å; S540-M543 PolarHBondContact OG-N 3.19Å; S540-A544 PolarHBondContact O-N 3.25Å; S540-I1065 VanDerWaalsContact C-CD1 3.45Å; S540-I1065 WeakPolarHBondContact O-CD1 3.12Å; S540-S1102 WeakPolarHBondContact CB-OG 3.21Å; S540-S1102 PolarHBondContact OG-OG 2.89Å
541D94.3Very high91.6Very high2 Ų227.3 Ų27.31%0.01115%0.153CC..Hα-helixtrans-60.9-40.4172.7-74.5-56.4000111.2K531 M543 A544 V545 S1064 I1065 T1101K531-D541 VanDerWaalsContact CE-OD1 3.26Å; K531-D541 WeakPolarHBondContact CE-OD1 3.35Å; K531-D541 IonicContact NZ-OD1 2.66Å; K531-D541 PolarHBondContact NZ-OD1 3.06Å; D541-M543 VanDerWaalsContact C-N 3.35Å; D541-M543 PolarHBondContact O-N 2.93Å; D541-A544 PolarHBondContact O-N 3.22Å; D541-V545 WeakPolarHBondContact O-CG2 3.41Å; D541-V545 PolarHBondContact O-N 2.96Å; D541-V545 VanDerWaalsContact O-N 3.1Å; D541-S1064 WeakPolarHBondContact OD1-CA 3.45Å; D541-S1064 PolarHBondContact OD1-OG 3.26Å; D541-S1064 WeakPolarHBondContact OD2-CB 3.24Å; D541-S1064 PolarHBondContact OD2-OG 3.08Å; D541-I1065 PolarHBondContact OD1-N 2.74Å; D541-T1101 PolarHBondContact N-O 3.01Å; D541-T1101 PolarHBondContact OD2-N 3.3Å; D541-T1101 VanDerWaalsContact OD2-N 3.08Å; D541-T1101 PolarHBondContact OD2-OG1 3.43Å; D541-T1101 VanDerWaalsContact OD2-OG1 3.11Å
542S94.7Very high91.8Very high1 Ų126.5 Ų26.51%0.00715%0.15CC..Hα-helixtrans-62.5-39.5177.8-59.20000112.1H511 S540 V545 V546H511-S542 PolarHBondContact NE2-OG 3.25Å; S540-S542 VanDerWaalsContact C-N 3.3Å; S540-S542 PolarHBondContact O-N 2.74Å; S540-S542 PolarHBondContact OG-N 3.24Å; S542-V545 WeakPolarHBondContact O-CB 3.37Å; S542-V545 PolarHBondContact O-N 3.49Å; S542-V546 WeakPolarHBondContact O-CG2 3.47Å; S542-V546 PolarHBondContact O-N 3.36Å
543M93.6Very high92Very high14 Ų1429.6 Ų29.67%0.06916%0.16CC..Hα-helixtrans-66.3-40.4175.9-67.1-59.5-62.700112.4T538 S540 D541 V545 V546 N547 K618 L621T538-M543 HydrophobicContact CG2-CB 4.49Å; T538-M543 HydrophobicContact CG2-CG 3.99Å; S540-M543 PolarHBondContact O-N 3.44Å; S540-M543 PolarHBondContact OG-N 3.19Å; D541-M543 VanDerWaalsContact C-N 3.35Å; D541-M543 PolarHBondContact O-N 2.93Å; M543-V545 VanDerWaalsContact C-N 3.29Å; M543-V545 PolarHBondContact O-N 3.24Å; M543-V546 PolarHBondContact O-N 3.2Å; M543-N547 WeakPolarHBondContact O-CB 3.02Å; M543-N547 VanDerWaalsContact O-CG 3.3Å; M543-N547 PolarHBondContact O-N 3.34Å; M543-N547 PolarHBondContact O-ND2 3.06Å; M543-K618 HydrophobicContact CE-CB 4.3Å; M543-K618 HydrophobicContact CE-CG 4.03Å; M543-L621 HydrophobicContact CE-CD2 4.44Å; M543-L621 HydrophobicContact SD-CD2 3.53Å; M543-L621 VanDerWaalsContact SD-CD2 3.53Å; M543-L621 HydrophobicContact SD-CG 4.26Å
544A94.7Very high92.1Very high0 Ų028.2 Ų28.20%015%0.149CC..Hα-helixtrans-61.3-40.5175.900000111.6F517 K531 F534 S540 D541 A548F517-A544 HydrophobicContact CZ-CB 4.46Å; K531-A544 HydrophobicContact CG-CB 4.32Å; F534-A544 HydrophobicContact CB-CB 4.32Å; S540-A544 PolarHBondContact O-N 3.25Å; D541-A544 PolarHBondContact O-N 3.22Å; A544-A548 VanDerWaalsContact O-CB 3.29Å; A544-A548 WeakPolarHBondContact O-CB 3.34Å; A544-A548 PolarHBondContact O-N 2.99Å
545V95.2Very high92Very high6 Ų627.5 Ų27.54%0.03615%0.147CC..Hα-helixtrans-61.9-49.9174.9162.80000111.8I506 S510 F516 F517 D541 S542 M543 N547 A548 F549I506-V545 HydrophobicContact CG2-CG1 4.44Å; S510-V545 WeakPolarHBondContact OG-CG1 3.22Å; F516-V545 HydrophobicContact CE1-CG1 3.98Å; F516-V545 HydrophobicContact CZ-CB 4.29Å; F516-V545 HydrophobicContact CZ-CG1 3.99Å; F516-V545 HydrophobicContact CZ-CG2 4.3Å; F517-V545 HydrophobicContact CE2-CG2 3.96Å; D541-V545 WeakPolarHBondContact O-CG2 3.41Å; D541-V545 PolarHBondContact O-N 2.96Å; D541-V545 VanDerWaalsContact O-N 3.1Å; S542-V545 WeakPolarHBondContact O-CB 3.37Å; S542-V545 PolarHBondContact O-N 3.49Å; M543-V545 VanDerWaalsContact C-N 3.29Å; M543-V545 PolarHBondContact O-N 3.24Å; V545-N547 PolarHBondContact O-N 2.89Å; V545-A548 PolarHBondContact O-N 3.46Å; V545-F549 WeakPolarHBondContact O-CB 3.32Å; V545-F549 PolarHBondContact O-N 2.87Å
546V95.4Very high92.1Very high1 Ų131.5 Ų31.51%0.00616%0.164CC..Hα-helixtrans-59-47.8179.8170.60000110.9E503 I506 I507 S542 M543 A548 F549 R550E503-V546 HydrophobicContact CB-CG1 4.39Å; E503-V546 HydrophobicContact CB-CG2 4.31Å; E503-V546 HydrophobicContact CG-CG1 3.96Å; I506-V546 HydrophobicContact CB-CG2 4.44Å; I506-V546 HydrophobicContact CG2-CG2 4.23Å; I507-V546 HydrophobicContact CD1-CG2 3.78Å; I507-V546 HydrophobicContact CG1-CG2 3.38Å; S542-V546 WeakPolarHBondContact O-CG2 3.47Å; S542-V546 PolarHBondContact O-N 3.36Å; M543-V546 PolarHBondContact O-N 3.2Å; V546-A548 PolarHBondContact O-N 2.92Å; V546-F549 PolarHBondContact O-N 2.99Å; V546-R550 HydrophobicContact CG1-CG 4.4Å; V546-R550 WeakPolarHBondContact O-CB 3.26Å; V546-R550 WeakPolarHBondContact O-CG 3.2Å; V546-R550 PolarHBondContact O-N 2.79Å
547N95.1Very high92.3Very high19 Ų1931 Ų3110%0.10217%0.166CC..Hα-helixtrans-65.3-40.7-178.7-71.6-27.6000112.3F534 M543 V545 A551F534-N547 WeakPolarHBondContact O-CB 3.48Å; F534-N547 PolarHBondContact O-ND2 3.21Å; M543-N547 WeakPolarHBondContact O-CB 3.02Å; M543-N547 VanDerWaalsContact O-CG 3.3Å; M543-N547 PolarHBondContact O-N 3.34Å; M543-N547 PolarHBondContact O-ND2 3.06Å; V545-N547 PolarHBondContact O-N 2.89Å; N547-A551 VanDerWaalsContact O-CB 3.31Å; N547-A551 WeakPolarHBondContact O-CB 3.46Å; N547-A551 PolarHBondContact O-N 3.28Å
548A95.7Very high92.7Very high0 Ų036.4 Ų36.40%018%0.177CC..Hα-helixtrans-65.6-44.9176.300000112F516 F517 F534 A544 V545 V546 A551 W552 I576F516-A548 HydrophobicContact CE2-CB 3.78Å; F516-A548 HydrophobicContact CZ-CB 4.14Å; F517-A548 HydrophobicContact CE1-CB 4.23Å; F517-A548 HydrophobicContact CZ-CB 3.76Å; F534-A548 HydrophobicContact CB-CB 4.32Å; F534-A548 HydrophobicContact CD1-CB 3.79Å; F534-A548 HydrophobicContact CD2-CB 4.1Å; F534-A548 HydrophobicContact CE1-CB 4.07Å; F534-A548 HydrophobicContact CE2-CB 4.36Å; F534-A548 HydrophobicContact CG-CB 3.81Å; F534-A548 HydrophobicContact CZ-CB 4.35Å; A544-A548 VanDerWaalsContact O-CB 3.29Å; A544-A548 WeakPolarHBondContact O-CB 3.34Å; A544-A548 PolarHBondContact O-N 2.99Å; V545-A548 PolarHBondContact O-N 3.46Å; V546-A548 PolarHBondContact O-N 2.92Å; A548-A551 PolarHBondContact O-N 2.97Å; A548-W552 PolarHBondContact O-N 3.26Å; A548-W552 VanDerWaalsContact O-N 3.08Å; A548-I576 HydrophobicContact CB-CD1 4.09Å
549F96.2Very high92.8Very high3 Ų337 Ų371%0.01318%0.184CC..Hα-helixtrans-62.5-47.4176.9-175.4-90.5000111.6I506 V545 V546 A551 W552 Y553 I581 V584 A585 Y588I506-F549 HydrophobicContact CB-CD1 4.44Å; I506-F549 HydrophobicContact CD1-CD1 3.72Å; I506-F549 HydrophobicContact CD1-CE1 4.17Å; I506-F549 HydrophobicContact CG1-CD1 3.72Å; I506-F549 HydrophobicContact CG1-CE1 3.93Å; I506-F549 HydrophobicContact CG1-CG 4.47Å; I506-F549 HydrophobicContact CG2-CB 3.67Å; I506-F549 HydrophobicContact CG2-CD1 3.83Å; I506-F549 HydrophobicContact CG2-CD2 4.48Å; I506-F549 HydrophobicContact CG2-CG 3.74Å; V545-F549 WeakPolarHBondContact O-CB 3.32Å; V545-F549 PolarHBondContact O-N 2.87Å; V546-F549 PolarHBondContact O-N 2.99Å; F549-A551 VanDerWaalsContact C-N 3.33Å; F549-A551 PolarHBondContact O-N 2.93Å; F549-W552 HydrophobicContact CE2-CE3 4.44Å; F549-W552 HydrophobicContact CE2-CZ3 4.29Å; F549-W552 PolarHBondContact O-N 3.09Å; F549-Y553 HydrophobicContact CE1-CD2 4.24Å; F549-Y553 HydrophobicContact CE1-CG 4.16Å; F549-Y553 HydrophobicContact CZ-CD2 4.2Å; F549-Y553 VanDerWaalsContact O-CB 3.24Å; F549-Y553 WeakPolarHBondContact O-CB 3.29Å; F549-Y553 PolarHBondContact O-N 3.38Å; F549-I581 HydrophobicContact CD2-CD1 4.5Å; F549-I581 HydrophobicContact CD2-CG1 3.98Å; F549-I581 HydrophobicContact CE2-CG1 4.5Å; F549-V584 HydrophobicContact CD2-CG1 3.94Å; F549-V584 HydrophobicContact CE2-CG1 3.92Å; F549-A585 HydrophobicContact CE2-CB 3.85Å; F549-A585 HydrophobicContact CZ-CB 3.97Å; F549-Y588 HydrophobicContact CZ-CD1 4.46Å; F549-Y588 HydrophobicContact CZ-CG 4.37Å
550R93.9Very high92.6Very high87 Ų8740.9 Ų40.933%0.32820%0.199SC..Hα-helixtrans-60.6-40.7176.8-76.8-179.8166.8173.6-8.9112.3D502 E503 I506 V546 Y553 A554D502-R550 IonicContact OD2-CZ 3.9Å; D502-R550 IonicContact OD2-NE 3.34Å; D502-R550 IonicContact OD2-NH2 3.54Å; D502-R550 PolarHBondContact OD2-NH2 3.15Å; E503-R550 IonicContact OE1-CZ 3.47Å; E503-R550 IonicContact OE1-NH1 2.77Å; E503-R550 PolarHBondContact OE1-NH1 3.08Å; E503-R550 IonicContact OE1-NH2 3.34Å; E503-R550 PolarHBondContact OE1-NH2 2.87Å; E503-R550 IonicContact OE2-NH2 2.87Å; I506-R550 HydrophobicContact CD1-CG 4.2Å; V546-R550 HydrophobicContact CG1-CG 4.4Å; V546-R550 WeakPolarHBondContact O-CB 3.26Å; V546-R550 WeakPolarHBondContact O-CG 3.2Å; V546-R550 PolarHBondContact O-N 2.79Å; R550-Y553 PolarHBondContact O-N 2.92Å; R550-A554 WeakPolarHBondContact O-CB 3.46Å; R550-A554 PolarHBondContact O-N 3.24Å
551A94.3Very high92.4Very high35 Ų3541.4 Ų41.429%0.28920%0.202SC..Hα-helixtrans-60.8-48176.600000111.6F534 N547 A548 F549 A555 W570F534-A551 HydrophobicContact CE1-CB 4.13Å; N547-A551 VanDerWaalsContact O-CB 3.31Å; N547-A551 WeakPolarHBondContact O-CB 3.46Å; N547-A551 PolarHBondContact O-N 3.28Å; A548-A551 PolarHBondContact O-N 2.97Å; F549-A551 VanDerWaalsContact C-N 3.33Å; F549-A551 PolarHBondContact O-N 2.93Å; A551-A555 VanDerWaalsContact O-CB 3.32Å; A551-A555 WeakPolarHBondContact O-CB 3.46Å; A551-A555 PolarHBondContact O-N 3.06Å; A551-A555 VanDerWaalsContact O-N 3.1Å; A551-W570 HydrophobicContact CB-CZ2 4.24Å
552W95.3Very high91.8Very high1 Ų151 Ų510%0.00424%0.238CC..Hα-helixtrans-64.7-47.9176.6176.679.7000112.3A548 F549 A554 A555 K556 E567 W570 I581 R582 A585A548-W552 PolarHBondContact O-N 3.26Å; A548-W552 VanDerWaalsContact O-N 3.08Å; F549-W552 HydrophobicContact CE2-CE3 4.44Å; F549-W552 HydrophobicContact CE2-CZ3 4.29Å; F549-W552 PolarHBondContact O-N 3.09Å; W552-A554 PolarHBondContact O-N 3.32Å; W552-A555 PolarHBondContact O-N 3.41Å; W552-K556 HydrophobicContact CH2-CD 4.08Å; W552-K556 HydrophobicContact CZ2-CD 4.01Å; W552-K556 WeakPolarHBondContact O-CB 3.39Å; W552-K556 PolarHBondContact O-N 3.33Å; W552-E567 VanDerWaalsContact CZ2-OE1 3.26Å; W552-E567 WeakPolarHBondContact CZ2-OE1 3.4Å; W552-E567 PolarHBondContact NE1-OE1 3.36Å; W552-W570 HydrophobicContact CB-CH2 3.56Å; W552-W570 HydrophobicContact CB-CZ2 4.14Å; W552-W570 HydrophobicContact CB-CZ3 3.8Å; W552-W570 AromaticContact CD1-CE3 3.79Å; W552-W570 AromaticContact CD1-CZ3 3.67Å; W552-W570 HydrophobicContact CG-CH2 4.32Å; W552-W570 HydrophobicContact CG-CZ3 4.06Å; W552-I581 HydrophobicContact CB-CD1 3.57Å; W552-I581 HydrophobicContact CD2-CD1 3.83Å; W552-I581 HydrophobicContact CD2-CG1 4Å; W552-I581 HydrophobicContact CD2-CG2 4.09Å; W552-I581 HydrophobicContact CE3-CD1 4.06Å; W552-I581 HydrophobicContact CE3-CG1 3.91Å; W552-I581 HydrophobicContact CG-CD1 3.64Å; W552-I581 HydrophobicContact CG-CG1 4.33Å; W552-I581 HydrophobicContact CG-CG2 4.42Å; W552-I581 HydrophobicContact CZ2-CG2 4.12Å; W552-I581 HydrophobicContact CZ3-CG1 4.39Å; W552-R582 HydrophobicContact CH2-CG 4.02Å; W552-R582 HydrophobicContact CZ2-CG 3.77Å; W552-A585 HydrophobicContact CH2-CB 4.01Å; W552-A585 HydrophobicContact CZ3-CB 3.77Å
553Y92.3Very high91.4Very high89 Ų8957 Ų5735%0.34927%0.265SS..Hα-helixtrans-64.3-42.5-176.8-163.7-108.8000111.6F549 R550 K556 K557 E589F549-Y553 HydrophobicContact CE1-CD2 4.24Å; F549-Y553 HydrophobicContact CE1-CG 4.16Å; F549-Y553 HydrophobicContact CZ-CD2 4.2Å; F549-Y553 VanDerWaalsContact O-CB 3.24Å; F549-Y553 WeakPolarHBondContact O-CB 3.29Å; F549-Y553 PolarHBondContact O-N 3.38Å; R550-Y553 PolarHBondContact O-N 2.92Å; Y553-K556 PolarHBondContact O-N 3.25Å; Y553-K557 PolarHBondContact O-N 2.98Å; Y553-E589 PolarHBondContact OH-OE1 2.9Å
554A90.9Very high91Very high42 Ų4260.7 Ų60.735%0.34729%0.29SS..Hα-helixtrans-66-41.7175.400000112.3R550 W552 K556 K557 K558R550-A554 WeakPolarHBondContact O-CB 3.46Å; R550-A554 PolarHBondContact O-N 3.24Å; W552-A554 PolarHBondContact O-N 3.32Å; A554-K556 VanDerWaalsContact C-N 3.29Å; A554-K556 PolarHBondContact O-N 2.67Å; A554-K557 PolarHBondContact O-N 3.31Å; A554-K558 WeakPolarHBondContact O-CB 3.41Å; A554-K558 VanDerWaalsContact O-CG 3.32Å; A554-K558 WeakPolarHBondContact O-CG 3.45Å; A554-K558 PolarHBondContact O-N 3.33Å
555A91.1Very high90.7Very high9 Ų969.1 Ų69.17%0.07433%0.327CS..Hα-helixtrans-63-37176.100000111.7A551 W552 G559 Q560 L561A551-A555 VanDerWaalsContact O-CB 3.32Å; A551-A555 WeakPolarHBondContact O-CB 3.46Å; A551-A555 PolarHBondContact O-N 3.06Å; A551-A555 VanDerWaalsContact O-N 3.1Å; W552-A555 PolarHBondContact O-N 3.41Å; A555-G559 PolarHBondContact O-N 3.44Å; A555-Q560 WeakPolarHBondContact O-CB 3.37Å; A555-Q560 PolarHBondContact O-N 3.18Å; A555-L561 HydrophobicContact CB-CD1 3.67Å; A555-L561 HydrophobicContact CB-CG 3.83Å
556K90.3Very high90.4Very high92 Ų9272 Ų7240%0.434%0.342SS..Hα-helixtrans-66.4-46.5173.2-163.6177.5-175.3177.40112W552 Y553 A554 K558 G559W552-K556 HydrophobicContact CH2-CD 4.08Å; W552-K556 HydrophobicContact CZ2-CD 4.01Å; W552-K556 WeakPolarHBondContact O-CB 3.39Å; W552-K556 PolarHBondContact O-N 3.33Å; Y553-K556 PolarHBondContact O-N 3.25Å; A554-K556 VanDerWaalsContact C-N 3.29Å; A554-K556 PolarHBondContact O-N 2.67Å; K556-K558 VanDerWaalsContact C-N 3.33Å; K556-K558 PolarHBondContact O-N 3.44Å; K556-G559 PolarHBondContact O-N 3.22Å
557K87.8Confident90.2Very high160 Ų16072.4 Ų72.470%0.69634%0.344SS*.Hα-helixtrans-61-39176.7-168.7177.5-179.2-179.50112Y553 A554 G559Y553-K557 PolarHBondContact O-N 2.98Å; A554-K557 PolarHBondContact O-N 3.31Å; K557-G559 PolarHBondContact O-N 3.19Å
558K88.3Confident89.8Confident157 Ų15775.8 Ų75.868%0.68336%0.362SS*.THydrogen-bonded Turntrans-70.8-7.3174.6-72.5176.9179.5-177.80114A554 K556 Q560A554-K558 WeakPolarHBondContact O-CB 3.41Å; A554-K558 VanDerWaalsContact O-CG 3.32Å; A554-K558 WeakPolarHBondContact O-CG 3.45Å; A554-K558 PolarHBondContact O-N 3.33Å; K556-K558 VanDerWaalsContact C-N 3.33Å; K556-K558 PolarHBondContact O-N 3.44Å; K558-Q560 VanDerWaalsContact C-N 3.32Å; K558-Q560 HydrophobicContact CB-CG 4.2Å; K558-Q560 PolarHBondContact O-N 3.02Å
559G86.9Confident89.6Confident18 Ų1878.1 Ų78.119%0.18638%0.378CS..THydrogen-bonded Turntrans78.79.1-179.600000115.1A555 K556 K557 L561 R562A555-G559 PolarHBondContact O-N 3.44Å; K556-G559 PolarHBondContact O-N 3.22Å; K557-G559 PolarHBondContact O-N 3.19Å; G559-L561 VanDerWaalsContact C-N 3.34Å; G559-R562 WeakPolarHBondContact O-CG 3.09Å
560Q86.3Confident89.4Confident123 Ų12379.8 Ų79.858%0.57538%0.384SS*.THydrogen-bonded Turntrans-72.7-27179.6-64.5173-25.700112.4A555 K558A555-Q560 WeakPolarHBondContact O-CB 3.37Å; A555-Q560 PolarHBondContact O-N 3.18Å; K558-Q560 VanDerWaalsContact C-N 3.32Å; K558-Q560 HydrophobicContact CB-CG 4.2Å; K558-Q560 PolarHBondContact O-N 3.02Å
561L88.8Confident89.2Confident11 Ų1175.8 Ų75.86%0.05837%0.37CS..THydrogen-bonded Turntrans-110.736.4-179.6-54.5-179.2000112.1A555 G559 E567 W570A555-L561 HydrophobicContact CB-CD1 3.67Å; A555-L561 HydrophobicContact CB-CG 3.83Å; G559-L561 VanDerWaalsContact C-N 3.34Å; L561-E567 HydrophobicContact CB-CB 4.25Å; L561-E567 HydrophobicContact CB-CG 4.37Å; L561-W570 HydrophobicContact CD1-CD2 4.33Å; L561-W570 HydrophobicContact CD1-CG 4.22Å; L561-W570 HydrophobicContact CD2-CB 3.81Å; L561-W570 HydrophobicContact CD2-CG 4.07Å
562R82.3Confident88.9Confident204 Ų20481.4 Ų81.477%0.7739%0.387SS*.  trans-70.7-40.9-180-79.4177-177.6-175.84.4112.4G559G559-R562 WeakPolarHBondContact O-CG 3.09Å
563H85.6Confident88.6Confident127 Ų12788 Ų8859%0.58842%0.418SS*.SBendtrans-83.2135.1178.8-67.2-67.5000110.4K565 D566 E567H563-K565 PolarHBondContact O-N 3.22Å; H563-D566 WeakPolarHBondContact CB-OD2 3.45Å; H563-D566 IonicContact CD2-OD2 2.69Å; H563-D566 PolarHBondContact O-N 3.02Å; H563-E567 PolarHBondContact O-N 3.36Å
564P85.9Confident88.6Confident91 Ų9185.5 Ų85.559%0.59141%0.411SS*.Hα-helixtrans-56-25.9178.5-27.934.8000114.4L568P564-L568 VanDerWaalsContact O-CB 3.29Å; P564-L568 WeakPolarHBondContact O-CB 3.27Å; P564-L568 PolarHBondContact O-N 3.43Å
565K88.1Confident88.5Confident176 Ų17685.4 Ų85.477%0.76540%0.403SS*.Hα-helixtrans-69.1-44.2176.5-70.3-174.3178.1-179.70112.2H563 L568 S569H563-K565 PolarHBondContact O-N 3.22Å; K565-L568 PolarHBondContact O-N 2.88Å; K565-S569 PolarHBondContact O-N 3.1Å; K565-S569 PolarHBondContact O-OG 2.89Å
566D88.7Confident88.5Confident68 Ų6885.3 Ų85.336%0.36440%0.401SS..Hα-helixtrans-69.4-37.5-179.1-54.1-24.9000110.8H563 S569 W570H563-D566 WeakPolarHBondContact CB-OD2 3.45Å; H563-D566 IonicContact CD2-OD2 2.69Å; H563-D566 PolarHBondContact O-N 3.02Å; D566-S569 WeakPolarHBondContact CA-OG 3.38Å; D566-S569 PolarHBondContact O-N 3.23Å; D566-S569 PolarHBondContact O-OG 2.87Å; D566-W570 WeakPolarHBondContact O-CB 3.2Å; D566-W570 PolarHBondContact O-N 3.02Å
567E90.3Very high88.4Confident8 Ų884.2 Ų84.24%0.03740%0.397CS..Hα-helixtrans-64.9-41172.7-163.5-179.1172.800111.3W552 L561 H563 W570 G571 I578 R582W552-E567 VanDerWaalsContact CZ2-OE1 3.26Å; W552-E567 WeakPolarHBondContact CZ2-OE1 3.4Å; W552-E567 PolarHBondContact NE1-OE1 3.36Å; L561-E567 HydrophobicContact CB-CB 4.25Å; L561-E567 HydrophobicContact CB-CG 4.37Å; H563-E567 PolarHBondContact O-N 3.36Å; E567-W570 PolarHBondContact O-N 3.23Å; E567-G571 PolarHBondContact O-N 3.28Å; E567-I578 HydrophobicContact CG-CD1 4.05Å; E567-I578 HydrophobicContact CG-CG1 4.34Å; E567-I578 HydrophobicContact CG-CG2 3.8Å; E567-I578 VanDerWaalsContact O-CD1 3.23Å; E567-I578 WeakPolarHBondContact O-CD1 3.44Å; E567-I578 WeakPolarHBondContact O-CG1 3.49Å; E567-I578 WeakPolarHBondContact OE1-CG2 3.21Å; E567-R582 VanDerWaalsContact CD-NH2 3.29Å; E567-R582 IonicContact OE1-CZ 3.76Å; E567-R582 IonicContact OE1-NE 3.21Å; E567-R582 PolarHBondContact OE1-NE 3.19Å; E567-R582 IonicContact OE1-NH2 3.18Å; E567-R582 PolarHBondContact OE1-NH2 3.45Å; E567-R582 IonicContact OE2-CZ 3.11Å; E567-R582 IonicContact OE2-NE 2.73Å; E567-R582 IonicContact OE2-NH2 2.71Å; E567-R582 PolarHBondContact OE2-NH2 3.25Å
568L88.1Confident88.5Confident91 Ų9177.3 Ų77.348%0.47637%0.368SS..Hα-helixtrans-68.3-38.3177-168.772.5000112.5P564 K565 G571 K572P564-L568 VanDerWaalsContact O-CB 3.29Å; P564-L568 WeakPolarHBondContact O-CB 3.27Å; P564-L568 PolarHBondContact O-N 3.43Å; K565-L568 PolarHBondContact O-N 2.88Å; L568-G571 PolarHBondContact O-N 3.42Å; L568-K572 WeakPolarHBondContact O-CG 3.27Å; L568-K572 PolarHBondContact O-N 3.42Å
569S89.5Confident88.2Confident48 Ų4873.2 Ų73.234%0.33635%0.35SS..Hα-helixtrans-65.9-44.6174.7580000111K565 D566 G571 K572 E573K565-S569 PolarHBondContact O-N 3.1Å; K565-S569 PolarHBondContact O-OG 2.89Å; D566-S569 WeakPolarHBondContact CA-OG 3.38Å; D566-S569 PolarHBondContact O-N 3.23Å; D566-S569 PolarHBondContact O-OG 2.87Å; S569-G571 VanDerWaalsContact C-N 3.29Å; S569-G571 PolarHBondContact O-N 2.88Å; S569-K572 PolarHBondContact O-N 3.34Å; S569-K572 VanDerWaalsContact O-N 3.08Å; S569-E573 WeakPolarHBondContact O-CG 3.33Å; S569-E573 PolarHBondContact O-N 3.42Å
570W92.9Very high88.2Confident39 Ų3973.8 Ų73.815%0.14835%0.347CS..Hα-helixtrans-56.9-43.8174.3-174.691.5000111.8F534 A551 W552 L561 D566 E567 K572 E573 N574 I576 I578F534-W570 HydrophobicContact CZ-CZ2 4.48Å; A551-W570 HydrophobicContact CB-CZ2 4.24Å; W552-W570 HydrophobicContact CB-CH2 3.56Å; W552-W570 HydrophobicContact CB-CZ2 4.14Å; W552-W570 HydrophobicContact CB-CZ3 3.8Å; W552-W570 AromaticContact CD1-CE3 3.79Å; W552-W570 AromaticContact CD1-CZ3 3.67Å; W552-W570 HydrophobicContact CG-CH2 4.32Å; W552-W570 HydrophobicContact CG-CZ3 4.06Å; L561-W570 HydrophobicContact CD1-CD2 4.33Å; L561-W570 HydrophobicContact CD1-CG 4.22Å; L561-W570 HydrophobicContact CD2-CB 3.81Å; L561-W570 HydrophobicContact CD2-CG 4.07Å; D566-W570 WeakPolarHBondContact O-CB 3.2Å; D566-W570 PolarHBondContact O-N 3.02Å; E567-W570 PolarHBondContact O-N 3.23Å; W570-K572 PolarHBondContact O-N 3.35Å; W570-E573 PolarHBondContact O-N 3.07Å; W570-N574 HydrophobicContact CH2-CB 4.47Å; W570-N574 PolarHBondContact NE1-ND2 3.35Å; W570-N574 WeakPolarHBondContact O-CB 3.34Å; W570-N574 PolarHBondContact O-N 2.87Å; W570-N574 PolarHBondContact O-ND2 2.82Å; W570-I576 HydrophobicContact CH2-CD1 3.45Å; W570-I576 VanDerWaalsContact CH2-CD1 3.45Å; W570-I576 HydrophobicContact CZ3-CB 4.14Å; W570-I576 HydrophobicContact CZ3-CD1 3.58Å; W570-I576 HydrophobicContact CZ3-CG1 4.45Å; W570-I576 HydrophobicContact CZ3-CG2 4.12Å; W570-I578 HydrophobicContact CE3-CD1 4.18Å
571G89.7Confident88.4Confident3 Ų367.9 Ų67.93%0.03132%0.319CS..Hα-helixtrans-62.8-40175.500000113.1E567 L568 S569 F575 I576E567-G571 PolarHBondContact O-N 3.28Å; L568-G571 PolarHBondContact O-N 3.42Å; S569-G571 VanDerWaalsContact C-N 3.29Å; S569-G571 PolarHBondContact O-N 2.88Å; G571-F575 CarbonylContact O-C 3.52Å; G571-F575 WeakPolarHBondContact O-CA 3.33Å; G571-F575 PolarHBondContact O-N 2.87Å; G571-I576 CarbonylContact C-O 3.46Å; G571-I576 VanDerWaalsContact CA-O 3.31Å; G571-I576 WeakPolarHBondContact CA-O 3.02Å; G571-I576 PolarHBondContact O-N 2.91Å
572K88.1Confident88.5Confident152 Ų15271.8 Ų71.866%0.66133%0.333SS*.Hα-helixtrans-66.7-44.6176.6-74.7175.5-179.9-179.30112.3L568 S569 W570 N574 F575L568-K572 WeakPolarHBondContact O-CG 3.27Å; L568-K572 PolarHBondContact O-N 3.42Å; S569-K572 PolarHBondContact O-N 3.34Å; S569-K572 VanDerWaalsContact O-N 3.08Å; W570-K572 PolarHBondContact O-N 3.35Å; K572-N574 VanDerWaalsContact C-N 3.31Å; K572-N574 PolarHBondContact O-N 2.92Å; K572-F575 PolarHBondContact O-N 2.91Å
573E89.4Confident88.7Confident140 Ų14064.2 Ų64.265%0.65431%0.307SS*.Hα-helixtrans-63.8-37.1179.6-72.1167.4-165.300112.1S569 W570S569-E573 WeakPolarHBondContact O-CG 3.33Å; S569-E573 PolarHBondContact O-N 3.42Å; W570-E573 PolarHBondContact O-N 3.07Å
574N91Very high89.1Confident37 Ų3758.2 Ų58.220%0.19828%0.279CS..THydrogen-bonded Turntrans-98.19.1-178.1-66-77.1000113.8S530 F534 W570 K572 I576S530-N574 PolarHBondContact OG-O 3.17Å; F534-N574 HydrophobicContact CE2-CB 4.03Å; F534-N574 HydrophobicContact CZ-CB 4.03Å; F534-N574 WeakPolarHBondContact CZ-OD1 3.42Å; W570-N574 HydrophobicContact CH2-CB 4.47Å; W570-N574 PolarHBondContact NE1-ND2 3.35Å; W570-N574 WeakPolarHBondContact O-CB 3.34Å; W570-N574 PolarHBondContact O-N 2.87Å; W570-N574 PolarHBondContact O-ND2 2.82Å; K572-N574 VanDerWaalsContact C-N 3.31Å; K572-N574 PolarHBondContact O-N 2.92Å; N574-I576 HydrophobicContact CB-CD1 3.95Å; N574-I576 HydrophobicContact CB-CG1 4.35Å; N574-I576 WeakPolarHBondContact O-CG1 3.28Å; N574-I576 PolarHBondContact O-N 3.04Å
575F90.4Very high89.5Confident39 Ų3954.5 Ų54.517%0.17126%0.256CS..THydrogen-bonded Turntrans50.744-176.9-65.5-95000112.9F517 A518 Q523 A526 G571 K572F517-F575 CarbonylContact C-O 3.57Å; A518-F575 WeakPolarHBondContact CB-O 3.19Å; A518-F575 PolarHBondContact N-O 3.14Å; Q523-F575 HydrophobicContact CB-CE1 4.11Å; A526-F575 HydrophobicContact CB-CE1 3.91Å; A526-F575 HydrophobicContact CB-CE2 3.89Å; A526-F575 HydrophobicContact CB-CZ 3.35Å; G571-F575 CarbonylContact O-C 3.52Å; G571-F575 WeakPolarHBondContact O-CA 3.33Å; G571-F575 PolarHBondContact O-N 2.87Å; K572-F575 PolarHBondContact O-N 2.91Å
576I90.6Very high89.6Confident8 Ų851.5 Ų51.54%0.04125%0.245CC..BIsolated β-bridgetrans-117.5129.9179.9-70.9165.6000110.3F516 F517 F534 A548 W570 G571 N574 I578 I581F516-I576 HydrophobicContact CB-CG2 4.42Å; F516-I576 HydrophobicContact CD2-CG1 4.13Å; F516-I576 HydrophobicContact CD2-CG2 3.95Å; F516-I576 HydrophobicContact CE2-CG1 4.5Å; F516-I576 CarbonylContact O-C 3.56Å; F516-I576 WeakPolarHBondContact O-CA 3.4Å; F517-I576 HydrophobicContact CD1-CG1 4.32Å; F517-I576 HydrophobicContact CE1-CG1 4.44Å; F534-I576 HydrophobicContact CE2-CD1 3.98Å; F534-I576 HydrophobicContact CZ-CD1 4.11Å; A548-I576 HydrophobicContact CB-CD1 4.09Å; W570-I576 HydrophobicContact CH2-CD1 3.45Å; W570-I576 VanDerWaalsContact CH2-CD1 3.45Å; W570-I576 HydrophobicContact CZ3-CB 4.14Å; W570-I576 HydrophobicContact CZ3-CD1 3.58Å; W570-I576 HydrophobicContact CZ3-CG1 4.45Å; W570-I576 HydrophobicContact CZ3-CG2 4.12Å; G571-I576 CarbonylContact C-O 3.46Å; G571-I576 VanDerWaalsContact CA-O 3.31Å; G571-I576 WeakPolarHBondContact CA-O 3.02Å; G571-I576 PolarHBondContact O-N 2.91Å; N574-I576 HydrophobicContact CB-CD1 3.95Å; N574-I576 HydrophobicContact CB-CG1 4.35Å; N574-I576 WeakPolarHBondContact O-CG1 3.28Å; N574-I576 PolarHBondContact O-N 3.04Å; I576-I578 PolarHBondContact O-N 2.8Å; I576-I581 HydrophobicContact CG2-CB 4.17Å; I576-I581 HydrophobicContact CG2-CD1 4.02Å; I576-I581 HydrophobicContact CG2-CG2 4.18Å
577Q87.9Confident89.8Confident68 Ų6848.6 Ų48.632%0.31823%0.229SC..  trans-77.7106173.6-59.8-171.13.400110.3F516 A518 K579 R580 I581F516-Q577 PolarHBondContact O-N 3.35Å; A518-Q577 HydrophobicContact CB-CG 3.86Å; Q577-K579 VanDerWaalsContact C-N 3.26Å; Q577-K579 PolarHBondContact O-N 2.76Å; Q577-R580 HydrophobicContact CB-CB 4.07Å; Q577-R580 HydrophobicContact CB-CG 3.78Å; Q577-R580 PolarHBondContact O-N 2.89Å; Q577-R580 VanDerWaalsContact OE1-CG 3.31Å; Q577-I581 PolarHBondContact O-N 3.02Å; Q577-I581 VanDerWaalsContact O-N 3.12Å
578I88.8Confident90.1Very high16 Ų1648.7 Ų48.78%0.08223%0.229CC..Hα-helixtrans-56.5-37-176.4-62.9-50.7000113.4E567 W570 I576 R580 I581 R582E567-I578 HydrophobicContact CG-CD1 4.05Å; E567-I578 HydrophobicContact CG-CG1 4.34Å; E567-I578 HydrophobicContact CG-CG2 3.8Å; E567-I578 VanDerWaalsContact O-CD1 3.23Å; E567-I578 WeakPolarHBondContact O-CD1 3.44Å; E567-I578 WeakPolarHBondContact O-CG1 3.49Å; E567-I578 WeakPolarHBondContact OE1-CG2 3.21Å; W570-I578 HydrophobicContact CE3-CD1 4.18Å; I576-I578 PolarHBondContact O-N 2.8Å; I578-R580 VanDerWaalsContact C-N 3.33Å; I578-R580 PolarHBondContact O-N 2.82Å; I578-I581 HydrophobicContact CD1-CG2 4.43Å; I578-I581 VanDerWaalsContact O-CG2 3.3Å; I578-I581 WeakPolarHBondContact O-CG2 3.21Å; I578-R582 VanDerWaalsContact O-CG 3.26Å; I578-R582 WeakPolarHBondContact O-CG 3.15Å; I578-R582 PolarHBondContact O-N 3.36Å
579K82.4Confident90.4Very high70 Ų7048 Ų4830%0.30422%0.223SC..Hα-helixtrans-62.6-41.2176.1-172172.5-172.5151.80112.5Q577 R582 E583Q577-K579 VanDerWaalsContact C-N 3.26Å; Q577-K579 PolarHBondContact O-N 2.76Å; K579-R582 PolarHBondContact O-N 3.24Å; K579-E583 WeakPolarHBondContact O-CG 3.39Å; K579-E583 PolarHBondContact O-N 3.4Å; K579-E583 VanDerWaalsContact O-N 3.07Å
580R86.5Confident90.5Very high30 Ų3047.5 Ų47.511%0.11322%0.217CC..Hα-helixtrans-71.7-43.3-177.6-61.8-59.4-174.6-171.10.9112F516 Q577 I578 R582 E583 V584F516-R580 HydrophobicContact CB-CB 3.63Å; Q577-R580 HydrophobicContact CB-CB 4.07Å; Q577-R580 HydrophobicContact CB-CG 3.78Å; Q577-R580 PolarHBondContact O-N 2.89Å; Q577-R580 VanDerWaalsContact OE1-CG 3.31Å; I578-R580 VanDerWaalsContact C-N 3.33Å; I578-R580 PolarHBondContact O-N 2.82Å; R580-R582 PolarHBondContact O-N 3.28Å; R580-E583 VanDerWaalsContact CD-OE2 3.31Å; R580-E583 WeakPolarHBondContact CD-OE2 3.39Å; R580-E583 IonicContact CZ-OE2 2.82Å; R580-E583 IonicContact NH1-OE1 2.8Å; R580-E583 PolarHBondContact NH1-OE1 3.41Å; R580-E583 IonicContact NH1-OE2 2.85Å; R580-E583 PolarHBondContact NH1-OE2 3.02Å; R580-E583 WeakPolarHBondContact O-CB 3.39Å; R580-E583 PolarHBondContact O-N 3.4Å; R580-E583 VanDerWaalsContact O-N 3.16Å; R580-V584 WeakPolarHBondContact O-CG2 3.33Å; R580-V584 PolarHBondContact O-N 2.84Å
581I92.1Very high90.6Very high0 Ų045.7 Ų45.70%021%0.21CC..Hα-helixtrans-65.4-29.7177.5-163.8165.9000111.8F516 F549 W552 I576 Q577 I578 V584 A585F516-I581 HydrophobicContact CB-CB 4.14Å; F516-I581 HydrophobicContact CD1-CG1 4.46Å; F516-I581 HydrophobicContact CD2-CD1 4.42Å; F516-I581 HydrophobicContact CE2-CD1 4.47Å; F516-I581 HydrophobicContact CG-CB 4.21Å; F516-I581 HydrophobicContact CG-CG1 4.44Å; F549-I581 HydrophobicContact CD2-CD1 4.5Å; F549-I581 HydrophobicContact CD2-CG1 3.98Å; F549-I581 HydrophobicContact CE2-CG1 4.5Å; W552-I581 HydrophobicContact CB-CD1 3.57Å; W552-I581 HydrophobicContact CD2-CD1 3.83Å; W552-I581 HydrophobicContact CD2-CG1 4Å; W552-I581 HydrophobicContact CD2-CG2 4.09Å; W552-I581 HydrophobicContact CE3-CD1 4.06Å; W552-I581 HydrophobicContact CE3-CG1 3.91Å; W552-I581 HydrophobicContact CG-CD1 3.64Å; W552-I581 HydrophobicContact CG-CG1 4.33Å; W552-I581 HydrophobicContact CG-CG2 4.42Å; W552-I581 HydrophobicContact CZ2-CG2 4.12Å; W552-I581 HydrophobicContact CZ3-CG1 4.39Å; I576-I581 HydrophobicContact CG2-CB 4.17Å; I576-I581 HydrophobicContact CG2-CD1 4.02Å; I576-I581 HydrophobicContact CG2-CG2 4.18Å; Q577-I581 PolarHBondContact O-N 3.02Å; Q577-I581 VanDerWaalsContact O-N 3.12Å; I578-I581 HydrophobicContact CD1-CG2 4.43Å; I578-I581 VanDerWaalsContact O-CG2 3.3Å; I578-I581 WeakPolarHBondContact O-CG2 3.21Å; I581-V584 PolarHBondContact O-N 3.47Å; I581-A585 PolarHBondContact O-N 3.35Å
582R89.6Confident90.8Very high93 Ų9347.5 Ų47.535%0.35122%0.217SC..Hα-helixtrans-67.9-44.4169.8-70.8173.4-175.2175.91.2112.6W552 E567 I578 K579 R580 V584 A585 E586W552-R582 HydrophobicContact CH2-CG 4.02Å; W552-R582 HydrophobicContact CZ2-CG 3.77Å; E567-R582 VanDerWaalsContact CD-NH2 3.29Å; E567-R582 IonicContact OE1-CZ 3.76Å; E567-R582 IonicContact OE1-NE 3.21Å; E567-R582 PolarHBondContact OE1-NE 3.19Å; E567-R582 IonicContact OE1-NH2 3.18Å; E567-R582 PolarHBondContact OE1-NH2 3.45Å; E567-R582 IonicContact OE2-CZ 3.11Å; E567-R582 IonicContact OE2-NE 2.73Å; E567-R582 IonicContact OE2-NH2 2.71Å; E567-R582 PolarHBondContact OE2-NH2 3.25Å; I578-R582 VanDerWaalsContact O-CG 3.26Å; I578-R582 WeakPolarHBondContact O-CG 3.15Å; I578-R582 PolarHBondContact O-N 3.36Å; K579-R582 PolarHBondContact O-N 3.24Å; R580-R582 PolarHBondContact O-N 3.28Å; R582-V584 VanDerWaalsContact C-N 3.25Å; R582-V584 PolarHBondContact O-N 3.06Å; R582-A585 WeakPolarHBondContact O-CB 3.5Å; R582-A585 PolarHBondContact O-N 2.58Å; R582-A585 VanDerWaalsContact O-N 3.08Å; R582-E586 WeakPolarHBondContact O-CG 3.46Å; R582-E586 PolarHBondContact O-N 3.45Å
583E87.4Confident91.1Very high45 Ų4547.2 Ų47.221%0.2122%0.216CC..Hα-helixtrans-57.5-40.5172.9-70.4168.7-17600111.1L513 K579 R580 E586 L587L513-E583 HydrophobicContact CD1-CB 4.03Å; K579-E583 WeakPolarHBondContact O-CG 3.39Å; K579-E583 PolarHBondContact O-N 3.4Å; K579-E583 VanDerWaalsContact O-N 3.07Å; R580-E583 VanDerWaalsContact CD-OE2 3.31Å; R580-E583 WeakPolarHBondContact CD-OE2 3.39Å; R580-E583 IonicContact CZ-OE2 2.82Å; R580-E583 IonicContact NH1-OE1 2.8Å; R580-E583 PolarHBondContact NH1-OE1 3.41Å; R580-E583 IonicContact NH1-OE2 2.85Å; R580-E583 PolarHBondContact NH1-OE2 3.02Å; R580-E583 WeakPolarHBondContact O-CB 3.39Å; R580-E583 PolarHBondContact O-N 3.4Å; R580-E583 VanDerWaalsContact O-N 3.16Å; E583-E586 PolarHBondContact O-N 3.34Å; E583-L587 PolarHBondContact O-N 3.25Å
584V93.6Very high91.2Very high0 Ų043.5 Ų43.50%020%0.196CC..Hα-helixtrans-64.3-41.3173.9172.40000111.5A509 L513 F516 F549 R580 I581 R582 L587 Y588A509-V584 HydrophobicContact CB-CG1 3.97Å; L513-V584 HydrophobicContact CB-CG2 4.38Å; L513-V584 HydrophobicContact CD1-CG2 3.94Å; F516-V584 HydrophobicContact CD1-CG2 4.07Å; F549-V584 HydrophobicContact CD2-CG1 3.94Å; F549-V584 HydrophobicContact CE2-CG1 3.92Å; R580-V584 WeakPolarHBondContact O-CG2 3.33Å; R580-V584 PolarHBondContact O-N 2.84Å; I581-V584 PolarHBondContact O-N 3.47Å; R582-V584 VanDerWaalsContact C-N 3.25Å; R582-V584 PolarHBondContact O-N 3.06Å; V584-L587 PolarHBondContact O-N 2.49Å; V584-Y588 VanDerWaalsContact O-CB 3.3Å; V584-Y588 WeakPolarHBondContact O-CB 3.31Å; V584-Y588 PolarHBondContact O-N 3.05Å
585A93.9Very high91.3Very high13 Ų1341.8 Ų41.811%0.10719%0.186CC..Hα-helixtrans-64.2-39.7176.700000112.4F549 W552 I581 R582 Y588 E589F549-A585 HydrophobicContact CE2-CB 3.85Å; F549-A585 HydrophobicContact CZ-CB 3.97Å; W552-A585 HydrophobicContact CH2-CB 4.01Å; W552-A585 HydrophobicContact CZ3-CB 3.77Å; I581-A585 PolarHBondContact O-N 3.35Å; R582-A585 WeakPolarHBondContact O-CB 3.5Å; R582-A585 PolarHBondContact O-N 2.58Å; R582-A585 VanDerWaalsContact O-N 3.08Å; A585-Y588 PolarHBondContact O-N 2.85Å; A585-E589 WeakPolarHBondContact O-CG 3.42Å; A585-E589 PolarHBondContact O-N 2.9Å
586E91.5Very high91.4Very high114 Ų11442 Ų4253%0.53319%0.193SC..Hα-helixtrans-63.5-44.3175.1-71.2168.5-171.800111.6R582 E583 E589 D590R582-E586 WeakPolarHBondContact O-CG 3.46Å; R582-E586 PolarHBondContact O-N 3.45Å; E583-E586 PolarHBondContact O-N 3.34Å; E586-E589 PolarHBondContact O-N 2.93Å; E586-D590 PolarHBondContact O-N 3.28Å
587L92.3Very high91.4Very high6 Ų647.8 Ų47.83%0.03122%0.22CC..Hα-helixtrans-66.7-39.1174.8179.757.2000112.1L95 P483 A509 L513 E583 V584 E589 D590 L591L95-L587 HydrophobicContact CD1-CB 3.81Å; L95-L587 HydrophobicContact CD1-CD1 4.39Å; L95-L587 HydrophobicContact CD2-CB 4.03Å; L95-L587 HydrophobicContact CD2-CD1 3.73Å; L95-L587 HydrophobicContact CD2-CG 4.45Å; P483-L587 HydrophobicContact CG-CD1 4.31Å; A509-L587 HydrophobicContact CB-CB 4.09Å; A509-L587 HydrophobicContact CB-CD2 4.12Å; A509-L587 HydrophobicContact CB-CG 3.89Å; A509-L587 WeakPolarHBondContact O-CD2 3.5Å; L513-L587 HydrophobicContact CD1-CB 4.21Å; L513-L587 HydrophobicContact CD1-CD2 3.91Å; L513-L587 HydrophobicContact CD2-CD2 4.39Å; L513-L587 HydrophobicContact CG-CD2 3.84Å; E583-L587 PolarHBondContact O-N 3.25Å; V584-L587 PolarHBondContact O-N 2.49Å; L587-E589 PolarHBondContact O-N 2.81Å; L587-D590 PolarHBondContact O-N 3.21Å; L587-L591 HydrophobicContact CD1-CD1 4.12Å; L587-L591 HydrophobicContact CD1-CD2 4.27Å; L587-L591 HydrophobicContact CD1-CG 3.86Å; L587-L591 HydrophobicContact CG-CD1 3.99Å; L587-L591 HydrophobicContact CG-CG 4.2Å; L587-L591 WeakPolarHBondContact O-CB 3.45Å; L587-L591 VanDerWaalsContact O-CG 3.23Å; L587-L591 WeakPolarHBondContact O-CG 3.35Å; L587-L591 PolarHBondContact O-N 3.15Å
588Y95.7Very high91.5Very high11 Ų1145.6 Ų45.64%0.04321%0.209CC..Hα-helixtrans-57-47.4174.7164.9-92.9000111.4D502 L505 I506 F549 V584 A585 L591 K592D502-Y588 WeakPolarHBondContact OD1-CE2 3.41Å; D502-Y588 PolarHBondContact OD1-OH 3.2Å; L505-Y588 HydrophobicContact CB-CD2 3.72Å; L505-Y588 HydrophobicContact CB-CE2 3.76Å; L505-Y588 HydrophobicContact CD1-CE2 4.39Å; I506-Y588 HydrophobicContact CG1-CD2 3.73Å; I506-Y588 HydrophobicContact CG1-CE2 3.73Å; F549-Y588 HydrophobicContact CZ-CD1 4.46Å; F549-Y588 HydrophobicContact CZ-CG 4.37Å; V584-Y588 VanDerWaalsContact O-CB 3.3Å; V584-Y588 WeakPolarHBondContact O-CB 3.31Å; V584-Y588 PolarHBondContact O-N 3.05Å; A585-Y588 PolarHBondContact O-N 2.85Å; Y588-L591 PolarHBondContact O-N 2.69Å; Y588-K592 HydrophobicContact CE1-CD 4.41Å; Y588-K592 WeakPolarHBondContact O-CB 3.28Å; Y588-K592 PolarHBondContact O-N 3.35Å
589E94.1Very high91.5Very high76 Ų7646.4 Ų46.436%0.35521%0.214SC..Hα-helixtrans-67.3-38.5177.2-69-61.215900112.5Y553 A585 E586 L587 K592 K593Y553-E589 PolarHBondContact OH-OE1 2.9Å; A585-E589 WeakPolarHBondContact O-CG 3.42Å; A585-E589 PolarHBondContact O-N 2.9Å; E586-E589 PolarHBondContact O-N 2.93Å; L587-E589 PolarHBondContact O-N 2.81Å; E589-K592 PolarHBondContact O-N 3.37Å; E589-K593 WeakPolarHBondContact O-CB 3.36Å; E589-K593 PolarHBondContact O-N 2.85Å
590D92.3Very high91.9Very high38 Ų3843.1 Ų43.120%0.20320%0.2CC..Hα-helixtrans-62.9-43.8174.3-173.560.8000111.5L95 E586 L587 K593 R594L95-D590 HydrophobicContact CD2-CB 3.77Å; E586-D590 PolarHBondContact O-N 3.28Å; L587-D590 PolarHBondContact O-N 3.21Å; D590-K593 PolarHBondContact O-N 3.21Å; D590-R594 VanDerWaalsContact O-CG 3.32Å; D590-R594 WeakPolarHBondContact O-CG 2.91Å; D590-R594 PolarHBondContact O-N 3.39Å; D590-R594 IonicContact OD1-NE 3.18Å; D590-R594 IonicContact OD1-NH2 3.01Å; D590-R594 IonicContact OD2-CZ 3.53Å; D590-R594 IonicContact OD2-NE 2.92Å; D590-R594 PolarHBondContact OD2-NE 3.07Å; D590-R594 IonicContact OD2-NH2 3.1Å; D590-R594 PolarHBondContact OD2-NH2 2.97Å
591L95Very high92.1Very high0 Ų046.6 Ų46.60%022%0.217CC..Hα-helixtrans-64.2-47.2176-68.4174.6000111.2L482 P483 V484 I492 L505 A508 A509 L587 Y588 K593 R594 V595L482-L591 HydrophobicContact CD2-CD2 4.15Å; P483-L591 HydrophobicContact CG-CD2 4.2Å; V484-L591 HydrophobicContact CG1-CD1 4.05Å; V484-L591 HydrophobicContact CG1-CD2 3.84Å; I492-L591 HydrophobicContact CD1-CD1 4.39Å; L505-L591 HydrophobicContact CD2-CB 3.68Å; A508-L591 HydrophobicContact CB-CD1 4.25Å; A509-L591 HydrophobicContact CB-CD1 4.13Å; L587-L591 HydrophobicContact CD1-CD1 4.12Å; L587-L591 HydrophobicContact CD1-CD2 4.27Å; L587-L591 HydrophobicContact CD1-CG 3.86Å; L587-L591 HydrophobicContact CG-CD1 3.99Å; L587-L591 HydrophobicContact CG-CG 4.2Å; L587-L591 WeakPolarHBondContact O-CB 3.45Å; L587-L591 VanDerWaalsContact O-CG 3.23Å; L587-L591 WeakPolarHBondContact O-CG 3.35Å; L587-L591 PolarHBondContact O-N 3.15Å; Y588-L591 PolarHBondContact O-N 2.69Å; L591-K593 PolarHBondContact O-N 2.89Å; L591-R594 PolarHBondContact O-N 3.18Å; L591-V595 WeakPolarHBondContact O-CG1 3.38Å; L591-V595 WeakPolarHBondContact O-CG2 3.41Å; L591-V595 PolarHBondContact O-N 3.37Å
592K94.8Very high91.9Very high41 Ų4147.8 Ų47.818%0.17822%0.224CC..Hα-helixtrans-53.5-41.6174.9-176.3176.9172.4-179.80111.2L505 Y588 E589 V595 S596 V602 E604L505-K592 HydrophobicContact CD1-CB 4.23Å; Y588-K592 HydrophobicContact CE1-CD 4.41Å; Y588-K592 WeakPolarHBondContact O-CB 3.28Å; Y588-K592 PolarHBondContact O-N 3.35Å; E589-K592 PolarHBondContact O-N 3.37Å; K592-V595 WeakPolarHBondContact O-CG2 3.46Å; K592-S596 PolarHBondContact O-N 3.17Å; K592-V602 HydrophobicContact CD-CB 4.47Å; K592-V602 HydrophobicContact CD-CG2 4.22Å; K592-V602 HydrophobicContact CG-CG2 4.15Å; K592-E604 IonicContact NZ-OE1 3.69Å; K592-E604 PolarHBondContact NZ-OE1 3.02Å
593K93Very high91.4Very high146 Ų14649.6 Ų49.664%0.63524%0.24SC*.Hα-helixtrans-70.8-34.7176.4-175.1-179.6178.8-179.40113.8E589 D590 L591 S596E589-K593 WeakPolarHBondContact O-CB 3.36Å; E589-K593 PolarHBondContact O-N 2.85Å; D590-K593 PolarHBondContact O-N 3.21Å; L591-K593 PolarHBondContact O-N 2.89Å; K593-S596 PolarHBondContact O-OG 3.42Å
594R92.1Very high90.1Very high63 Ų6354.3 Ų54.324%0.23826%0.262CS..Hα-helixtrans-72.8-42.8178.4-73.3172.3-172.1-89.9-6.3111.8H481 L482 D590 L591 S596 Q597H481-R594 PolarHBondContact O-NH1 2.93Å; L482-R594 HydrophobicContact CD2-CB 4.01Å; D590-R594 VanDerWaalsContact O-CG 3.32Å; D590-R594 WeakPolarHBondContact O-CG 2.91Å; D590-R594 PolarHBondContact O-N 3.39Å; D590-R594 IonicContact OD1-NE 3.18Å; D590-R594 IonicContact OD1-NH2 3.01Å; D590-R594 IonicContact OD2-CZ 3.53Å; D590-R594 IonicContact OD2-NE 2.92Å; D590-R594 PolarHBondContact OD2-NE 3.07Å; D590-R594 IonicContact OD2-NH2 3.1Å; D590-R594 PolarHBondContact OD2-NH2 2.97Å; L591-R594 PolarHBondContact O-N 3.18Å; R594-S596 VanDerWaalsContact C-N 3.27Å; R594-S596 PolarHBondContact O-N 3.16Å; R594-Q597 WeakPolarHBondContact O-CB 3.37Å; R594-Q597 PolarHBondContact O-N 3.09Å
595V93.8Very high88Confident0 Ų061 Ų610%030%0.298CS..Hα-helixtrans-70-26.4-178.7-590000112.3L482 I492 L505 L591 K592 Q597 F598 M600L482-V595 HydrophobicContact CD2-CG1 3.91Å; I492-V595 HydrophobicContact CG2-CG1 3.75Å; L505-V595 HydrophobicContact CD2-CG1 4.36Å; L505-V595 HydrophobicContact CD2-CG2 4.35Å; L591-V595 WeakPolarHBondContact O-CG1 3.38Å; L591-V595 WeakPolarHBondContact O-CG2 3.41Å; L591-V595 PolarHBondContact O-N 3.37Å; K592-V595 WeakPolarHBondContact O-CG2 3.46Å; V595-Q597 PolarHBondContact O-N 3.07Å; V595-F598 WeakPolarHBondContact O-CA 3.2Å; V595-F598 WeakPolarHBondContact O-CB 3.45Å; V595-F598 PolarHBondContact O-N 3.06Å; V595-M600 CarbonylContact C-O 3.57Å; V595-M600 HydrophobicContact CB-CB 4.08Å; V595-M600 HydrophobicContact CB-CE 4.01Å; V595-M600 HydrophobicContact CG1-CE 4.34Å; V595-M600 HydrophobicContact CG2-CB 4.29Å; V595-M600 WeakPolarHBondContact O-CB 3.18Å; V595-M600 PolarHBondContact O-N 3.01Å
596S91.9Very high85.7Confident44 Ų4464.8 Ų64.831%0.30832%0.324SS..G310 helixtrans-63.9-24.9176.571.50000113.5K592 K593 R594 F598 N599 M600K592-S596 PolarHBondContact O-N 3.17Å; K593-S596 PolarHBondContact O-OG 3.42Å; R594-S596 VanDerWaalsContact C-N 3.27Å; R594-S596 PolarHBondContact O-N 3.16Å; S596-F598 PolarHBondContact O-N 3.19Å; S596-N599 PolarHBondContact O-N 3.44Å; S596-N599 VanDerWaalsContact O-N 3.08Å; S596-M600 WeakPolarHBondContact CA-O 3.3Å; S596-M600 PolarHBondContact N-O 3.11Å
597Q90Very high83.3Confident130 Ų13064.9 Ų64.961%0.60733%0.334SS*.G310 helixtrans-63.7-18.6172-59.2179.5-0.100112.5R594 V595R594-Q597 WeakPolarHBondContact O-CB 3.37Å; R594-Q597 PolarHBondContact O-N 3.09Å; V595-Q597 PolarHBondContact O-N 3.07Å
598F89.8Confident81.1Confident21 Ų2170.1 Ų70.19%0.09237%0.371CS..G310 helixtrans-102.718.9177.3-57.5-80000112.9F474 V478 H481 V595 S596 M600 L1191F474-F598 HydrophobicContact CE2-CD1 4.24Å; F474-F598 HydrophobicContact CZ-CB 4.22Å; V478-F598 HydrophobicContact CG2-CB 4.45Å; V478-F598 HydrophobicContact CG2-CD1 3.83Å; V478-F598 HydrophobicContact CG2-CD2 4.16Å; V478-F598 HydrophobicContact CG2-CE1 4.05Å; V478-F598 HydrophobicContact CG2-CE2 4.35Å; V478-F598 HydrophobicContact CG2-CG 3.89Å; V478-F598 HydrophobicContact CG2-CZ 4.3Å; H481-F598 HydrophobicContact CB-CE2 4.21Å; H481-F598 HydrophobicContact CB-CZ 4.07Å; H481-F598 AromaticContact CG-CZ 3.88Å; H481-F598 AromaticContact ND1-CZ 3.94Å; V595-F598 WeakPolarHBondContact O-CA 3.2Å; V595-F598 WeakPolarHBondContact O-CB 3.45Å; V595-F598 PolarHBondContact O-N 3.06Å; S596-F598 PolarHBondContact O-N 3.19Å; F598-M600 HydrophobicContact CB-CE 3.51Å; F598-M600 HydrophobicContact CB-CG 4.46Å; F598-M600 HydrophobicContact CD2-CE 4.14Å; F598-M600 HydrophobicContact CG-CE 4.09Å; F598-M600 PolarHBondContact O-N 2.93Å; F598-L1191 HydrophobicContact CB-CD2 4.43Å; F598-L1191 HydrophobicContact CD1-CD2 4.45Å
599N89.2Confident79.4Confident34 Ų3473 Ų7318%0.18239%0.391CS..THydrogen-bonded Turntrans60.525.8-175.8-160.428.5000113.6S596 H601 T1190 L1193 I1198S596-N599 PolarHBondContact O-N 3.44Å; S596-N599 VanDerWaalsContact O-N 3.08Å; N599-H601 PolarHBondContact OD1-NE2 3.4Å; N599-T1190 HydrophobicContact CB-CG2 4.26Å; N599-T1190 WeakPolarHBondContact CB-O 3.21Å; N599-T1190 PolarHBondContact ND2-O 3.42Å; N599-L1193 PolarHBondContact ND2-O 3.01Å; N599-I1198 VanDerWaalsContact ND2-CD1 3.33Å; N599-I1198 WeakPolarHBondContact ND2-CD1 3.32Å
600M91.9Very high78.2Confident1 Ų173.9 Ų73.91%0.00540%0.398CS..  trans-99.2109.2173.8-61.5-174.1-89.700109.6V478 H496 L501 V595 S596 F598V478-M600 HydrophobicContact CG1-CE 3.9Å; V478-M600 HydrophobicContact CG2-CE 3.98Å; H496-M600 HydrophobicContact CB-CG 4.15Å; H496-M600 HydrophobicContact CB-SD 3.81Å; L501-M600 HydrophobicContact CD2-CB 4.08Å; V595-M600 CarbonylContact C-O 3.57Å; V595-M600 HydrophobicContact CB-CB 4.08Å; V595-M600 HydrophobicContact CB-CE 4.01Å; V595-M600 HydrophobicContact CG1-CE 4.34Å; V595-M600 HydrophobicContact CG2-CB 4.29Å; V595-M600 WeakPolarHBondContact O-CB 3.18Å; V595-M600 PolarHBondContact O-N 3.01Å; S596-M600 WeakPolarHBondContact CA-O 3.3Å; S596-M600 PolarHBondContact N-O 3.11Å; F598-M600 HydrophobicContact CB-CE 3.51Å; F598-M600 HydrophobicContact CB-CG 4.46Å; F598-M600 HydrophobicContact CD2-CE 4.14Å; F598-M600 HydrophobicContact CG-CE 4.09Å; F598-M600 PolarHBondContact O-N 2.93Å
601H90.3Very high77.2Confident102 Ų10277.4 Ų77.447%0.47242%0.417SS..  trans-116.9141.7-176.3-62.4-78000111.8N599N599-H601 PolarHBondContact OD1-NE2 3.4Å
602V87.2Confident76.2Confident25 Ų2578.5 Ų78.515%0.15242%0.424CS..  trans-81.5123.3169177.60000107.8L501 D502 L505 K592 E604L501-V602 HydrophobicContact CD2-CG2 4.24Å; L501-V602 HydrophobicContact CG-CG2 4.26Å; D502-V602 HydrophobicContact CB-CG1 3.91Å; L505-V602 HydrophobicContact CD1-CG2 3.53Å; K592-V602 HydrophobicContact CD-CB 4.47Å; K592-V602 HydrophobicContact CD-CG2 4.22Å; K592-V602 HydrophobicContact CG-CG2 4.15Å; V602-E604 PolarHBondContact O-N 3.33Å
603L78.8Confident75.5Confident131 Ų13179.3 Ų79.369%0.68644%0.435SS*.  trans-73.9117.8175.7-63.6170.7000109D605L603-D605 PolarHBondContact O-N 3.22Å
604E60.4Low75Confident145 Ų14576 Ų7668%0.67842%0.423SS*.  trans-86.1106.9174-67.2-176-178.400107.6K592 V602K592-E604 IonicContact NZ-OE1 3.69Å; K592-E604 PolarHBondContact NZ-OE1 3.02Å; V602-E604 PolarHBondContact O-N 3.33Å
605D50.3Low74.8Confident140 Ų14074.6 Ų74.675%0.74942%0.42SS*.  trans84.9108.8175.8-55.1-32.8000117.2L603L603-D605 PolarHBondContact O-N 3.22Å
606S45.1Very low74.5Confident93 Ų9377 Ų7765%0.6543%0.429SS*.  trans-97.5147.9149.560.50000109.1
607P40.9Very low74.3Confident116 Ų11677 Ų7775%0.75343%0.425SS*.SBendtrans-54.2159.3172.823.5-32.8000111.2P609P607-P609 WeakPolarHBondContact O-CD 3.36Å
608S47.4Very low74.4Confident116 Ų11672.5 Ų72.581%0.81140%0.403SS*.SBendtrans-37.7110.4-175.554.10000111.6D610S608-D610 PolarHBondContact O-N 2.77Å
609P59.2Low74.5Confident71 Ų7171.8 Ų71.846%0.46140%0.4SS..  trans-70.9121.8-170.826.7-33.2000109P607 I614P607-P609 WeakPolarHBondContact O-CD 3.36Å; P609-I614 HydrophobicContact CB-CD1 4.19Å; P609-I614 HydrophobicContact CB-CG1 3.81Å; P609-I614 HydrophobicContact CG-CD1 4.06Å; P609-I614 HydrophobicContact CG-CG1 4.12Å
610D69.3Low74.7Confident94 Ų9470.2 Ų70.250%0.50339%0.391SS..  trans-56.7148.3166.6178.526000109.6S608 T612 S613 I614S608-D610 PolarHBondContact O-N 2.77Å; D610-T612 PolarHBondContact O-N 2.9Å; D610-T612 VanDerWaalsContact O-N 3.11Å; D610-T612 WeakPolarHBondContact OD2-CB 3.18Å; D610-T612 PolarHBondContact OD2-OG1 3.42Å; D610-S613 PolarHBondContact N-OG 2.82Å; D610-S613 PolarHBondContact O-N 2.92Å; D610-S613 PolarHBondContact O-OG 3.1Å; D610-I614 PolarHBondContact O-N 3.29Å
611N70.7Confident74.9Confident113 Ų11370.3 Ų70.360%0.60439%0.392SS*.Hα-helixtrans-55.1-34178.8-79.1-31.7000111.9S613 I614 N615N611-S613 PolarHBondContact O-N 2.82Å; N611-I614 PolarHBondContact O-N 3.49Å; N611-N615 PolarHBondContact O-N 3.3Å; N611-N615 VanDerWaalsContact O-N 3.08Å; N611-N615 PolarHBondContact O-ND2 2.8Å; N611-N615 VanDerWaalsContact O-ND2 3.08Å
612T74.5Confident75.1Confident23 Ų2365.7 Ų65.714%0.14137%0.371CS..Hα-helixtrans-58.7-43.9175.8-440000112.3D610 R616 L908 S914D610-T612 PolarHBondContact O-N 2.9Å; D610-T612 VanDerWaalsContact O-N 3.11Å; D610-T612 WeakPolarHBondContact OD2-CB 3.18Å; D610-T612 PolarHBondContact OD2-OG1 3.42Å; T612-R616 WeakPolarHBondContact O-CB 3.47Å; T612-R616 PolarHBondContact O-N 2.87Å; T612-R616 VanDerWaalsContact O-N 3.08Å; T612-L908 HydrophobicContact CG2-CB 4.01Å; T612-L908 HydrophobicContact CG2-CD2 4.04Å; T612-L908 HydrophobicContact CG2-CG 4.4Å; T612-S914 PolarHBondContact OG1-OG 2.81Å
613S78.9Confident75.5Confident58 Ų5864.5 Ų64.541%0.40636%0.363SS..Hα-helixtrans-73.2-34.3-178.767.70000111.6D610 N611 R616 Q617D610-S613 PolarHBondContact N-OG 2.82Å; D610-S613 PolarHBondContact O-N 2.92Å; D610-S613 PolarHBondContact O-OG 3.1Å; N611-S613 PolarHBondContact O-N 2.82Å; S613-R616 PolarHBondContact O-N 3.34Å; S613-Q617 VanDerWaalsContact O-CB 3.31Å; S613-Q617 WeakPolarHBondContact O-CB 3.47Å; S613-Q617 PolarHBondContact O-N 2.83Å
614I84Confident76.4Confident77 Ų7758.3 Ų58.340%0.39533%0.331SS..Hα-helixtrans-61.9-47.3174.6-61.2173.1000110.9P609 D610 N611 Q617 K618P609-I614 HydrophobicContact CB-CD1 4.19Å; P609-I614 HydrophobicContact CB-CG1 3.81Å; P609-I614 HydrophobicContact CG-CD1 4.06Å; P609-I614 HydrophobicContact CG-CG1 4.12Å; D610-I614 PolarHBondContact O-N 3.29Å; N611-I614 PolarHBondContact O-N 3.49Å; I614-Q617 PolarHBondContact O-N 2.98Å; I614-K618 WeakPolarHBondContact O-CB 3.46Å; I614-K618 PolarHBondContact O-N 2.87Å
615N86.5Confident78.1Confident32 Ų3251.5 Ų51.517%0.17130%0.299CS..Hα-helixtrans-67.6-41.6-179.3-68.6-39.4000111.7N611 Q617 K618 F619 I907 L908 G909N611-N615 PolarHBondContact O-N 3.3Å; N611-N615 VanDerWaalsContact O-N 3.08Å; N611-N615 PolarHBondContact O-ND2 2.8Å; N611-N615 VanDerWaalsContact O-ND2 3.08Å; N615-Q617 VanDerWaalsContact C-N 3.32Å; N615-Q617 PolarHBondContact O-N 3.02Å; N615-K618 WeakPolarHBondContact O-CB 3.47Å; N615-K618 PolarHBondContact O-N 3.18Å; N615-F619 PolarHBondContact O-N 2.94Å; N615-I907 CarbonylContact C-O 3.57Å; N615-I907 VanDerWaalsContact C-O 3.23Å; N615-L908 WeakPolarHBondContact CB-O 3.23Å; N615-L908 PolarHBondContact ND2-O 3.45Å; N615-G909 VanDerWaalsContact ND2-CA 3.3Å; N615-G909 WeakPolarHBondContact ND2-CA 3.31Å
616R88.5Confident80.3Confident51 Ų5144.8 Ų44.819%0.19226%0.263CS..Hα-helixtrans-58.1-45.6173.4-173.6-173.5177.2-149.98.5111.2T612 S613 K618 F619 I620 I907 L908 R1206 D1207 T1210T612-R616 WeakPolarHBondContact O-CB 3.47Å; T612-R616 PolarHBondContact O-N 2.87Å; T612-R616 VanDerWaalsContact O-N 3.08Å; S613-R616 PolarHBondContact O-N 3.34Å; R616-K618 VanDerWaalsContact C-N 3.35Å; R616-K618 PolarHBondContact O-N 2.72Å; R616-F619 WeakPolarHBondContact O-CB 3.41Å; R616-F619 PolarHBondContact O-N 3.36Å; R616-I620 HydrophobicContact CG-CD1 3.97Å; R616-I620 WeakPolarHBondContact O-CG1 3.43Å; R616-I620 PolarHBondContact O-N 3.38Å; R616-I907 WeakPolarHBondContact CA-O 3.36Å; R616-I907 PolarHBondContact N-O 3.45Å; R616-L908 HydrophobicContact CB-CD2 4.26Å; R616-R1206 PolarHBondContact NH2-O 2.65Å; R616-D1207 IonicContact CZ-OD1 3.29Å; R616-D1207 IonicContact NH1-OD1 3.93Å; R616-D1207 IonicContact NH2-OD1 3.51Å; R616-D1207 PolarHBondContact NH2-OD1 3.39Å; R616-T1210 PolarHBondContact NE-OG1 2.85Å; R616-T1210 PolarHBondContact NH2-OG1 2.89Å
617Q88.4Confident82.7Confident45 Ų4540.4 Ų40.421%0.2123%0.232CC..Hα-helixtrans-63.4-40.5178-171.670.31.800111.9G499 C500 S613 I614 N615 I620 L621G499-Q617 PolarHBondContact O-NE2 3.38Å; C500-Q617 VanDerWaalsContact CA-NE2 3.33Å; S613-Q617 VanDerWaalsContact O-CB 3.31Å; S613-Q617 WeakPolarHBondContact O-CB 3.47Å; S613-Q617 PolarHBondContact O-N 2.83Å; I614-Q617 PolarHBondContact O-N 2.98Å; N615-Q617 VanDerWaalsContact C-N 3.32Å; N615-Q617 PolarHBondContact O-N 3.02Å; Q617-I620 PolarHBondContact O-N 2.83Å; Q617-L621 WeakPolarHBondContact O-CB 3.39Å; Q617-L621 PolarHBondContact O-N 3.19Å
618K90.6Very high85.3Confident35 Ų3534.9 Ų34.915%0.15220%0.197CC..Hα-helixtrans-58.6-45.8173.5165.1-178.4155.2178.50111.3T538 M543 I614 N615 R616 L621 Q622 N910T538-K618 HydrophobicContact CG2-CD 4.34Å; T538-K618 VanDerWaalsContact CG2-CE 3.49Å; T538-K618 WeakPolarHBondContact OG1-CE 3.48Å; T538-K618 PolarHBondContact OG1-NZ 2.8Å; M543-K618 HydrophobicContact CE-CB 4.3Å; M543-K618 HydrophobicContact CE-CG 4.03Å; I614-K618 WeakPolarHBondContact O-CB 3.46Å; I614-K618 PolarHBondContact O-N 2.87Å; N615-K618 WeakPolarHBondContact O-CB 3.47Å; N615-K618 PolarHBondContact O-N 3.18Å; R616-K618 VanDerWaalsContact C-N 3.35Å; R616-K618 PolarHBondContact O-N 2.72Å; K618-L621 PolarHBondContact O-N 3.03Å; K618-Q622 WeakPolarHBondContact O-CG 3.44Å; K618-Q622 PolarHBondContact O-N 2.76Å; K618-Q622 VanDerWaalsContact O-N 3.08Å; K618-N910 PolarHBondContact NZ-OD1 2.78Å
619F92.4Very high87.6Confident5 Ų529.5 Ų29.52%0.02216%0.159CC..Hα-helixtrans-61.1-50.2176.2175.9-110.9000111.7N615 R616 L621 Q622 I623 I907 P1105 I1107 L1110 L1209 F1213N615-F619 PolarHBondContact O-N 2.94Å; R616-F619 WeakPolarHBondContact O-CB 3.41Å; R616-F619 PolarHBondContact O-N 3.36Å; F619-L621 VanDerWaalsContact C-N 3.27Å; F619-L621 PolarHBondContact O-N 2.93Å; F619-Q622 WeakPolarHBondContact O-CB 3.37Å; F619-Q622 PolarHBondContact O-N 2.79Å; F619-I623 HydrophobicContact CD1-CG1 4.42Å; F619-I623 HydrophobicContact CD2-CG1 4.47Å; F619-I623 HydrophobicContact CE1-CG1 4Å; F619-I623 HydrophobicContact CE2-CD1 3.9Å; F619-I623 HydrophobicContact CE2-CG1 4.05Å; F619-I623 HydrophobicContact CZ-CD1 3.81Å; F619-I623 HydrophobicContact CZ-CG1 3.8Å; F619-I623 WeakPolarHBondContact O-CG1 3.24Å; F619-I623 PolarHBondContact O-N 3.27Å; F619-I907 HydrophobicContact CB-CG2 4.17Å; F619-I907 HydrophobicContact CD1-CB 4.37Å; F619-I907 HydrophobicContact CD1-CD1 4.21Å; F619-I907 HydrophobicContact CD1-CG1 3.84Å; F619-I907 HydrophobicContact CD1-CG2 3.7Å; F619-I907 HydrophobicContact CD2-CG1 3.99Å; F619-I907 HydrophobicContact CE1-CD1 3.77Å; F619-I907 HydrophobicContact CE1-CG1 3.86Å; F619-I907 HydrophobicContact CE1-CG2 4.33Å; F619-I907 HydrophobicContact CE2-CD1 4.42Å; F619-I907 HydrophobicContact CE2-CG1 4.03Å; F619-I907 HydrophobicContact CG-CB 4.4Å; F619-I907 HydrophobicContact CG-CG1 3.89Å; F619-I907 HydrophobicContact CG-CG2 4.01Å; F619-I907 HydrophobicContact CZ-CD1 3.9Å; F619-I907 HydrophobicContact CZ-CG1 3.97Å; F619-P1105 HydrophobicContact CD2-CG 4Å; F619-P1105 HydrophobicContact CE2-CG 4.31Å; F619-I1107 HydrophobicContact CE2-CD1 3.95Å; F619-I1107 HydrophobicContact CZ-CD1 4.43Å; F619-L1110 HydrophobicContact CE2-CD1 4.05Å; F619-L1209 HydrophobicContact CD1-CD2 3.91Å; F619-L1209 HydrophobicContact CE1-CD2 3.51Å; F619-F1213 HydrophobicContact CE1-CB 4.27Å; F619-F1213 AromaticContact CE1-CD2 3.97Å; F619-F1213 HydrophobicContact CE1-CD2 3.97Å; F619-F1213 HydrophobicContact CE1-CG 4.07Å; F619-F1213 HydrophobicContact CZ-CB 4.16Å; F619-F1213 AromaticContact CZ-CD1 3.9Å; F619-F1213 HydrophobicContact CZ-CD1 3.9Å; F619-F1213 AromaticContact CZ-CD2 3.93Å; F619-F1213 HydrophobicContact CZ-CD2 3.93Å; F619-F1213 HydrophobicContact CZ-CE1 4.28Å; F619-F1213 HydrophobicContact CZ-CE2 4.31Å; F619-F1213 AromaticContact CZ-CG 3.73Å; F619-F1213 HydrophobicContact CZ-CG 3.73Å; F619-F1213 HydrophobicContact CZ-CZ 4.48Å
620I94.3Very high89.2Confident1 Ų126.5 Ų26.51%0.00514%0.138CC..Hα-helixtrans-54.6-45.9177.6-70.9164.1000110.6F498 R616 Q617 Q622 I623 V624 R1206 L1209F498-I620 HydrophobicContact CB-CG2 3.64Å; F498-I620 HydrophobicContact CG-CG2 4.34Å; R616-I620 HydrophobicContact CG-CD1 3.97Å; R616-I620 WeakPolarHBondContact O-CG1 3.43Å; R616-I620 PolarHBondContact O-N 3.38Å; Q617-I620 PolarHBondContact O-N 2.83Å; I620-Q622 VanDerWaalsContact C-N 3.33Å; I620-Q622 PolarHBondContact O-N 2.98Å; I620-I623 PolarHBondContact O-N 3.33Å; I620-I623 VanDerWaalsContact O-N 3.12Å; I620-V624 HydrophobicContact CG2-CG2 4.38Å; I620-V624 WeakPolarHBondContact O-CG2 3.29Å; I620-V624 PolarHBondContact O-N 3.3Å; I620-R1206 HydrophobicContact CD1-CB 4.35Å; I620-R1206 HydrophobicContact CD1-CG 3.98Å; I620-L1209 HydrophobicContact CG1-CD2 4.18Å
621L94.9Very high90.2Very high3 Ų323 Ų232%0.01612%0.121CC..Hα-helixtrans-62.2-38.5178.5-177.858.3000112.5C500 E503 I507 M543 Q617 K618 F619 I623 V624 I625C500-L621 HydrophobicContact CB-CD1 4.4Å; E503-L621 HydrophobicContact CB-CD1 4.04Å; E503-L621 HydrophobicContact CB-CD2 3.61Å; E503-L621 HydrophobicContact CB-CG 4.49Å; E503-L621 HydrophobicContact CG-CD2 3.87Å; I507-L621 HydrophobicContact CD1-CD1 4.02Å; I507-L621 HydrophobicContact CD1-CD2 4.24Å; I507-L621 HydrophobicContact CD1-CG 4.45Å; M543-L621 HydrophobicContact CE-CD2 4.44Å; M543-L621 HydrophobicContact SD-CD2 3.53Å; M543-L621 VanDerWaalsContact SD-CD2 3.53Å; M543-L621 HydrophobicContact SD-CG 4.26Å; Q617-L621 WeakPolarHBondContact O-CB 3.39Å; Q617-L621 PolarHBondContact O-N 3.19Å; K618-L621 PolarHBondContact O-N 3.03Å; F619-L621 VanDerWaalsContact C-N 3.27Å; F619-L621 PolarHBondContact O-N 2.93Å; L621-I623 VanDerWaalsContact C-N 3.34Å; L621-I623 PolarHBondContact O-N 2.66Å; L621-V624 PolarHBondContact O-N 3.48Å; L621-I625 HydrophobicContact CG-CD1 4.25Å; L621-I625 VanDerWaalsContact O-CG1 3.27Å; L621-I625 WeakPolarHBondContact O-CG1 3.4Å; L621-I625 PolarHBondContact O-N 3.41Å
622Q95Very high91.3Very high6 Ų618.8 Ų18.83%0.02810%0.098CC..Hα-helixtrans-62.7-39.6173.7-71.3177.7-73.900112K618 F619 I620 I625 A626 I1103 L1104 P1105K618-Q622 WeakPolarHBondContact O-CG 3.44Å; K618-Q622 PolarHBondContact O-N 2.76Å; K618-Q622 VanDerWaalsContact O-N 3.08Å; F619-Q622 WeakPolarHBondContact O-CB 3.37Å; F619-Q622 PolarHBondContact O-N 2.79Å; I620-Q622 VanDerWaalsContact C-N 3.33Å; I620-Q622 PolarHBondContact O-N 2.98Å; Q622-I625 PolarHBondContact O-N 3.23Å; Q622-A626 PolarHBondContact O-N 3.37Å; Q622-I1103 PolarHBondContact NE2-O 2.82Å; Q622-I1103 VanDerWaalsContact NE2-O 3.07Å; Q622-L1104 HydrophobicContact CB-CD2 3.81Å; Q622-L1104 WeakPolarHBondContact O-CD2 3.34Å; Q622-P1105 VanDerWaalsContact OE1-CG 3.32Å
623I96.1Very high92.2Very high0 Ų017.8 Ų17.80%09%0.092CC..Hα-helixtrans-68.5-38.7175.4-57-59000111.5F619 I620 L621 A626 G627 V1114 F1118 L1209 F1213F619-I623 HydrophobicContact CD1-CG1 4.42Å; F619-I623 HydrophobicContact CD2-CG1 4.47Å; F619-I623 HydrophobicContact CE1-CG1 4Å; F619-I623 HydrophobicContact CE2-CD1 3.9Å; F619-I623 HydrophobicContact CE2-CG1 4.05Å; F619-I623 HydrophobicContact CZ-CD1 3.81Å; F619-I623 HydrophobicContact CZ-CG1 3.8Å; F619-I623 WeakPolarHBondContact O-CG1 3.24Å; F619-I623 PolarHBondContact O-N 3.27Å; I620-I623 PolarHBondContact O-N 3.33Å; I620-I623 VanDerWaalsContact O-N 3.12Å; L621-I623 VanDerWaalsContact C-N 3.34Å; L621-I623 PolarHBondContact O-N 2.66Å; I623-A626 WeakPolarHBondContact O-CB 3.41Å; I623-A626 PolarHBondContact O-N 3.44Å; I623-G627 PolarHBondContact O-N 2.99Å; I623-V1114 HydrophobicContact CD1-CG2 3.8Å; I623-F1118 HydrophobicContact CG2-CE2 3.73Å; I623-F1118 HydrophobicContact CG2-CZ 3.92Å; I623-L1209 HydrophobicContact CB-CD1 4.21Å; I623-L1209 HydrophobicContact CG2-CD1 3.81Å; I623-F1213 HydrophobicContact CD1-CE1 4.47Å; I623-F1213 HydrophobicContact CD1-CE2 4.39Å; I623-F1213 HydrophobicContact CD1-CZ 3.98Å
624V96.9Very high92.9Very high0 Ų015.1 Ų15.10%07%0.073CC..Hα-helixtrans-62.9-43.6174.6167.80000111.6M491 L494 F498 I620 L621 A626 G627 A628M491-V624 HydrophobicContact CG-CG1 4.15Å; L494-V624 HydrophobicContact CB-CG1 3.83Å; F498-V624 HydrophobicContact CB-CG2 3.85Å; F498-V624 HydrophobicContact CD2-CG2 3.48Å; F498-V624 VanDerWaalsContact CD2-CG2 3.48Å; F498-V624 HydrophobicContact CE2-CG2 4.3Å; F498-V624 HydrophobicContact CG-CG2 3.9Å; I620-V624 HydrophobicContact CG2-CG2 4.38Å; I620-V624 WeakPolarHBondContact O-CG2 3.29Å; I620-V624 PolarHBondContact O-N 3.3Å; L621-V624 PolarHBondContact O-N 3.48Å; V624-A626 VanDerWaalsContact C-N 3.31Å; V624-A626 PolarHBondContact O-N 2.94Å; V624-G627 PolarHBondContact O-N 2.93Å; V624-A628 WeakPolarHBondContact O-CB 3.35Å; V624-A628 PolarHBondContact O-N 3.2Å
625I96.8Very high93.3Very high2 Ų211.5 Ų11.51%0.015%0.054CC..Hα-helixtrans-58-47172.7-70.2165.9000109.5M491 I507 L621 Q622 G627 A628 F629 V1083M491-I625 HydrophobicContact SD-CG1 4.25Å; I507-I625 HydrophobicContact CD1-CD1 4.31Å; L621-I625 HydrophobicContact CG-CD1 4.25Å; L621-I625 VanDerWaalsContact O-CG1 3.27Å; L621-I625 WeakPolarHBondContact O-CG1 3.4Å; L621-I625 PolarHBondContact O-N 3.41Å; Q622-I625 PolarHBondContact O-N 3.23Å; I625-G627 PolarHBondContact O-N 3.4Å; I625-A628 PolarHBondContact O-N 2.88Å; I625-F629 HydrophobicContact CG2-CD2 3.91Å; I625-F629 HydrophobicContact CG2-CE2 4.13Å; I625-F629 WeakPolarHBondContact O-CD2 3.31Å; I625-F629 PolarHBondContact O-N 3Å; I625-V1083 HydrophobicContact CG2-CG1 4.27Å
626A96.5Very high93.5Very high0 Ų011 Ų110%05%0.051CC..Hα-helixtrans-60.3-44.1177.900000112.9Q622 I623 V624 Y630 Y633 M1081 V1083 L1104 V1114Q622-A626 PolarHBondContact O-N 3.37Å; I623-A626 WeakPolarHBondContact O-CB 3.41Å; I623-A626 PolarHBondContact O-N 3.44Å; V624-A626 VanDerWaalsContact C-N 3.31Å; V624-A626 PolarHBondContact O-N 2.94Å; A626-Y630 PolarHBondContact O-N 2.86Å; A626-Y633 HydrophobicContact CB-CE1 4.49Å; A626-Y633 VanDerWaalsContact O-CE1 3.23Å; A626-Y633 WeakPolarHBondContact O-CE1 3.14Å; A626-Y633 PolarHBondContact O-OH 3.3Å; A626-M1081 HydrophobicContact CB-CE 4.48Å; A626-V1083 HydrophobicContact CB-CG2 3.81Å; A626-L1104 HydrophobicContact CB-CD1 3.97Å; A626-L1104 HydrophobicContact CB-CD2 4.42Å; A626-V1114 HydrophobicContact CB-CG1 3.64Å
627G95.1Very high93.5Very high0 Ų013.4 Ų13.40%06%0.064CC..Hα-helixtrans-69.5-31.3178.500000114.5K490 I623 V624 I625 F1118K490-G627 WeakPolarHBondContact CE-O 3.31Å; K490-G627 PolarHBondContact NZ-O 2.98Å; I623-G627 PolarHBondContact O-N 2.99Å; V624-G627 PolarHBondContact O-N 2.93Å; I625-G627 PolarHBondContact O-N 3.4Å; G627-F1118 VanDerWaalsContact CA-CE2 3.46Å
628A95.6Very high93.4Very high0 Ų019.2 Ų19.20%09%0.091CC..Hα-helixtrans-69.4-38.2178.100000112.6N487 M491 L494 V624 I625N487-A628 PolarHBondContact OD1-O 3.05Å; M491-A628 HydrophobicContact CB-CB 3.49Å; M491-A628 VanDerWaalsContact CB-CB 3.49Å; M491-A628 HydrophobicContact CG-CB 3.99Å; L494-A628 HydrophobicContact CD1-CB 4.32Å; V624-A628 WeakPolarHBondContact O-CB 3.35Å; V624-A628 PolarHBondContact O-N 3.2Å; I625-A628 PolarHBondContact O-N 2.88Å
629F95.1Very high93.2Very high4 Ų419.1 Ų19.12%0.0189%0.092CC..THydrogen-bonded Turntrans-101.214.9-176.2-65-71.4000113.7N487 L488 M491 I625 N632 V1083 G1085N487-F629 HydrophobicContact CB-CD1 3.64Å; N487-F629 HydrophobicContact CB-CE1 3.61Å; L488-F629 HydrophobicContact CD2-CE1 4.43Å; L488-F629 HydrophobicContact CD2-CZ 3.79Å; M491-F629 HydrophobicContact SD-CE2 4.37Å; I625-F629 HydrophobicContact CG2-CD2 3.91Å; I625-F629 HydrophobicContact CG2-CE2 4.13Å; I625-F629 WeakPolarHBondContact O-CD2 3.31Å; I625-F629 PolarHBondContact O-N 3Å; F629-N632 HydrophobicContact CB-CB 4.48Å; F629-N632 WeakPolarHBondContact O-CA 3.24Å; F629-N632 VanDerWaalsContact O-CB 3.24Å; F629-N632 WeakPolarHBondContact O-CB 3.49Å; F629-N632 PolarHBondContact O-N 2.87Å; F629-V1083 HydrophobicContact CB-CG1 3.66Å; F629-V1083 HydrophobicContact CD2-CG1 4.21Å; F629-V1083 HydrophobicContact CG-CG1 4.33Å; F629-G1085 VanDerWaalsContact CE1-CA 3.42Å; F629-G1085 VanDerWaalsContact CE1-O 3.29Å; F629-G1085 WeakPolarHBondContact CE1-O 3.43Å
630Y93.1Very high92.9Very high8 Ų823.9 Ų23.93%0.03112%0.118CC..THydrogen-bonded Turntrans-53.5129.9167-179.8-84000109.5E453 A626 Y633 F1118 T1119 G1139E453-Y630 HydrophobicContact CG-CD1 4.46Å; E453-Y630 HydrophobicContact CG-CE1 4.14Å; A626-Y630 PolarHBondContact O-N 2.86Å; Y630-Y633 WeakPolarHBondContact CB-OH 3.47Å; Y630-Y633 HydrophobicContact CD2-CD2 4.49Å; Y630-Y633 AromaticContact CD2-CE2 3.56Å; Y630-Y633 HydrophobicContact CD2-CE2 3.56Å; Y630-Y633 AromaticContact CD2-CZ 3.77Å; Y630-Y633 HydrophobicContact CE2-CE2 4.18Å; Y630-F1118 HydrophobicContact CD2-CB 4.5Å; Y630-T1119 PolarHBondContact OH-OG1 3.39Å; Y630-G1139 PolarHBondContact OH-N 2.64Å
631P90.9Very high92.4Very high21 Ų2125 Ų2514%0.13612%0.123CC..THydrogen-bonded Turncis-103.825.48.639.4-35.5000115.3Y633 N1154 I1156P631-Y633 PolarHBondContact O-N 2.67Å; P631-N1154 HydrophobicContact CG-CB 4Å; P631-I1156 HydrophobicContact CB-CD1 3.81Å; P631-I1156 WeakPolarHBondContact O-CD1 3.24Å
632N92.9Very high92Very high24 Ų2433.3 Ų33.313%0.12815%0.154CC..  trans-7259-176.8-61.4-25.3000113.5F629 F634 A1084 V1087F629-N632 HydrophobicContact CB-CB 4.48Å; F629-N632 WeakPolarHBondContact O-CA 3.24Å; F629-N632 VanDerWaalsContact O-CB 3.24Å; F629-N632 WeakPolarHBondContact O-CB 3.49Å; F629-N632 PolarHBondContact O-N 2.87Å; N632-F634 HydrophobicContact CB-CE2 4.49Å; N632-A1084 WeakPolarHBondContact CB-O 3.26Å; N632-A1084 PolarHBondContact O-N 3.44Å; N632-V1087 HydrophobicContact CB-CG2 3.9Å
633Y93.9Very high91.7Very high2 Ų237.3 Ų37.31%0.00817%0.173CC..EExtended strand (participates in β ladder)trans-106.1137-176.7-58.6-18.3000111.5A626 Y630 P631 M1081 V1083 M1115 I1156A626-Y633 HydrophobicContact CB-CE1 4.49Å; A626-Y633 VanDerWaalsContact O-CE1 3.23Å; A626-Y633 WeakPolarHBondContact O-CE1 3.14Å; A626-Y633 PolarHBondContact O-OH 3.3Å; Y630-Y633 WeakPolarHBondContact CB-OH 3.47Å; Y630-Y633 HydrophobicContact CD2-CD2 4.49Å; Y630-Y633 AromaticContact CD2-CE2 3.56Å; Y630-Y633 HydrophobicContact CD2-CE2 3.56Å; Y630-Y633 AromaticContact CD2-CZ 3.77Å; Y630-Y633 HydrophobicContact CE2-CE2 4.18Å; P631-Y633 PolarHBondContact O-N 2.67Å; Y633-M1081 HydrophobicContact CD1-CE 4.43Å; Y633-M1081 HydrophobicContact CD1-SD 4.28Å; Y633-M1081 HydrophobicContact CD2-CE 4.4Å; Y633-M1081 HydrophobicContact CD2-SD 3.82Å; Y633-M1081 HydrophobicContact CE2-CE 4.45Å; Y633-M1081 HydrophobicContact CE2-SD 4.41Å; Y633-M1081 HydrophobicContact CG-CE 4.39Å; Y633-M1081 HydrophobicContact CG-SD 3.75Å; Y633-V1083 HydrophobicContact CD1-CG1 4.47Å; Y633-V1083 HydrophobicContact CD1-CG2 4.04Å; Y633-V1083 HydrophobicContact CE1-CG1 4.42Å; Y633-V1083 HydrophobicContact CE1-CG2 4.15Å; Y633-M1115 HydrophobicContact CD2-CG 3.84Å; Y633-M1115 HydrophobicContact CE2-CG 3.82Å; Y633-I1156 HydrophobicContact CD2-CD1 4.48Å
634F93.9Very high91.2Very high1 Ų137.4 Ų37.40%0.00417%0.174CC..EExtended strand (participates in β ladder)trans-132.9141.9-179.1-59.1-88.3000109.7N632 F1046 Y1047 V1058 M1082 A1084 V1087 I1096 L1098N632-F634 HydrophobicContact CB-CE2 4.49Å; F634-F1046 HydrophobicContact CB-CB 4.19Å; F634-F1046 HydrophobicContact CB-CD1 4.28Å; F634-Y1047 CarbonylContact C-O 3.58Å; F634-Y1047 WeakPolarHBondContact CA-O 3.49Å; F634-V1058 HydrophobicContact CD1-CG1 4.16Å; F634-V1058 HydrophobicContact CD1-CG2 4.01Å; F634-V1058 HydrophobicContact CE1-CG1 4.47Å; F634-V1058 HydrophobicContact CE1-CG2 4.25Å; F634-M1082 HydrophobicContact CB-CB 4.44Å; F634-M1082 PolarHBondContact N-O 3.26Å; F634-M1082 PolarHBondContact O-N 3.2Å; F634-A1084 HydrophobicContact CD2-CB 4.27Å; F634-A1084 HydrophobicContact CE2-CB 3.89Å; F634-V1087 HydrophobicContact CE2-CG2 4.06Å; F634-V1087 HydrophobicContact CZ-CG1 4.21Å; F634-V1087 HydrophobicContact CZ-CG2 4Å; F634-I1096 HydrophobicContact CE1-CG2 4.27Å; F634-I1096 HydrophobicContact CZ-CG2 4.38Å; F634-L1098 HydrophobicContact CB-CD1 4.38Å; F634-L1098 HydrophobicContact CD1-CD1 4.13Å; F634-L1098 HydrophobicContact CD1-CD2 4.37Å; F634-L1098 HydrophobicContact CD2-CD1 3.66Å; F634-L1098 HydrophobicContact CD2-CD2 4.02Å; F634-L1098 HydrophobicContact CE1-CD1 4.39Å; F634-L1098 HydrophobicContact CE1-CD2 3.79Å; F634-L1098 HydrophobicContact CE2-CD1 3.97Å; F634-L1098 HydrophobicContact CE2-CD2 3.41Å; F634-L1098 VanDerWaalsContact CE2-CD2 3.41Å; F634-L1098 HydrophobicContact CE2-CG 4.34Å; F634-L1098 HydrophobicContact CG-CD1 3.77Å; F634-L1098 HydrophobicContact CG-CD2 4.47Å; F634-L1098 HydrophobicContact CZ-CD1 4.33Å; F634-L1098 HydrophobicContact CZ-CD2 3.28Å; F634-L1098 HydrophobicContact CZ-CG 4.43Å
635F91.8Very high90.6Very high1 Ų137.9 Ų37.90%0.00418%0.177CC..EExtended strand (participates in β ladder)trans-114.4141.5-169.7-62.2-94.6000110.1F1046 Y1047 L1049 R1080 M1081 P1111 M1115 L1158F635-F1046 CarbonylContact O-C 3.53Å; F635-F1046 WeakPolarHBondContact O-CA 3.46Å; F635-Y1047 HydrophobicContact CB-CD1 4.43Å; F635-Y1047 HydrophobicContact CB-CE1 3.88Å; F635-Y1047 HydrophobicContact CB-CE2 4.2Å; F635-Y1047 PolarHBondContact N-O 3.34Å; F635-Y1047 WeakPolarHBondContact O-CD1 3.04Å; F635-Y1047 WeakPolarHBondContact O-CE1 3.26Å; F635-Y1047 PolarHBondContact O-N 3.34Å; F635-L1049 HydrophobicContact CD1-CD1 4.14Å; F635-L1049 HydrophobicContact CD2-CB 4.18Å; F635-L1049 HydrophobicContact CD2-CD1 3.45Å; F635-L1049 VanDerWaalsContact CD2-CD1 3.45Å; F635-L1049 HydrophobicContact CD2-CG 3.47Å; F635-L1049 VanDerWaalsContact CD2-CG 3.47Å; F635-L1049 HydrophobicContact CE1-CD1 3.96Å; F635-L1049 HydrophobicContact CE2-CB 4.01Å; F635-L1049 HydrophobicContact CE2-CD1 3.29Å; F635-L1049 HydrophobicContact CE2-CG 3.65Å; F635-L1049 HydrophobicContact CG-CD1 3.89Å; F635-L1049 HydrophobicContact CG-CG 4.15Å; F635-L1049 HydrophobicContact CZ-CD1 3.55Å; F635-L1049 HydrophobicContact CZ-CG 4.41Å; F635-R1080 WeakPolarHBondContact CA-O 3.28Å; F635-M1081 HydrophobicContact CE1-CG 4.37Å; F635-M1081 HydrophobicContact CE1-SD 4.25Å; F635-M1081 HydrophobicContact CZ-SD 4.19Å; F635-P1111 HydrophobicContact CE1-CB 3.91Å; F635-M1115 HydrophobicContact CZ-SD 4.15Å; F635-L1158 HydrophobicContact CD1-CD1 4.23Å; F635-L1158 HydrophobicContact CE1-CD1 3.48Å; F635-L1158 VanDerWaalsContact CE1-CD1 3.48Å; F635-L1158 HydrophobicContact CZ-CD1 3.78Å
636Q91.3Very high90Very high22 Ų2245 Ų4510%0.10321%0.208CC..EExtended strand (participates in β ladder)trans-70.8133.9-178.8-169.7-175.5-31.200110.5T1044 F1046 Y1047 N1071 R1080Q636-T1044 HydrophobicContact CG-CG2 3.77Å; Q636-T1044 WeakPolarHBondContact CG-OG1 3.31Å; Q636-T1044 PolarHBondContact NE2-OG1 3.29Å; Q636-F1046 HydrophobicContact CB-CD1 4.37Å; Q636-F1046 HydrophobicContact CB-CE1 3.84Å; Q636-F1046 HydrophobicContact CB-CZ 4.07Å; Q636-F1046 HydrophobicContact CG-CE1 4.42Å; Q636-F1046 HydrophobicContact CG-CZ 4.17Å; Q636-Y1047 WeakPolarHBondContact O-CE1 3.39Å; Q636-N1071 VanDerWaalsContact NE2-CB 3.28Å; Q636-N1071 PolarHBondContact NE2-ND2 2.97Å; Q636-R1080 HydrophobicContact CB-CB 3.96Å; Q636-R1080 PolarHBondContact N-O 2.91Å
637Q88.4Confident89.5Confident101 Ų10147.4 Ų47.447%0.47222%0.219SC..PPolyproline II helixtrans-71.9142.5174.2-168.7174.86.400111.3T1044 N1045 Y1047Q637-T1044 PolarHBondContact O-OG1 2.89Å; Q637-N1045 WeakPolarHBondContact CB-O 3.16Å; Q637-N1045 PolarHBondContact N-O 3.32Å; Q637-Y1047 HydrophobicContact CB-CD1 4.38Å
638E85.1Confident88.9Confident167 Ų16747.4 Ų47.478%0.7822%0.219SC*.PPolyproline II helixtrans-67144.1173.5-66.5-174.7176.200111.5
639I86.6Confident88.2Confident34 Ų3450.3 Ų50.317%0.17424%0.235CC..  trans-112.3133.6176.4-60.5-175.6000108.1E641 A644 Y1042 N1071 P1074I639-E641 PolarHBondContact O-N 3.22Å; I639-A644 HydrophobicContact CG2-CB 3.98Å; I639-Y1042 WeakPolarHBondContact CD1-O 3.32Å; I639-N1071 HydrophobicContact CD1-CB 3.68Å; I639-P1074 HydrophobicContact CB-CB 4.37Å
640D86.6Confident87.3Confident104 Ų10451.4 Ų51.456%0.55625%0.247SC*.  trans-69.996.1166.1-176.9-17.4000109.1R642 Q643 A644D640-R642 VanDerWaalsContact C-N 3.27Å; D640-R642 PolarHBondContact O-N 3.45Å; D640-R642 PolarHBondContact OD1-N 3.24Å; D640-R642 VanDerWaalsContact OD1-N 3.08Å; D640-Q643 HydrophobicContact CB-CB 4.05Å; D640-Q643 PolarHBondContact O-N 3.25Å; D640-Q643 PolarHBondContact OD1-N 3.48Å; D640-Q643 VanDerWaalsContact OD1-N 3.15Å; D640-A644 WeakPolarHBondContact O-CB 3.37Å; D640-A644 PolarHBondContact O-N 3.19Å
641E84.7Confident86.8Confident25 Ų2552.1 Ų52.112%0.11725%0.251CS..Hα-helixtrans-55.8-40.6-179-176.6176.8-170.700112.1I639 Q643 A644 C645 N972 V973 P1074I639-E641 PolarHBondContact O-N 3.22Å; E641-Q643 PolarHBondContact O-N 3.33Å; E641-A644 PolarHBondContact O-N 3.01Å; E641-C645 WeakPolarHBondContact O-CB 3.35Å; E641-C645 PolarHBondContact O-N 3.34Å; E641-C645 PolarHBondContact O-SG 2.9Å; E641-N972 WeakPolarHBondContact OE1-CA 3.13Å; E641-N972 VanDerWaalsContact OE1-CB 3.3Å; E641-N972 WeakPolarHBondContact OE1-CB 3.28Å; E641-V973 HydrophobicContact CB-CG2 4.33Å; E641-V973 HydrophobicContact CG-CB 4Å; E641-V973 HydrophobicContact CG-CG2 3.75Å; E641-V973 PolarHBondContact OE1-N 3.33Å; E641-V973 WeakPolarHBondContact OE2-CG2 3.43Å; E641-P1074 HydrophobicContact CB-CB 4.27Å; E641-P1074 HydrophobicContact CB-CG 4.07Å; E641-P1074 HydrophobicContact CG-CG 3.8Å
642R86.6Confident86.5Confident177 Ų17752.6 Ų52.667%0.66825%0.252SS*.Hα-helixtrans-65.3-42.2-178.3-67.3-179.7176.5-177.9-2.2111D640 K646 V973D640-R642 VanDerWaalsContact C-N 3.27Å; D640-R642 PolarHBondContact O-N 3.45Å; D640-R642 PolarHBondContact OD1-N 3.24Å; D640-R642 VanDerWaalsContact OD1-N 3.08Å; R642-K646 VanDerWaalsContact O-CG 3.27Å; R642-K646 WeakPolarHBondContact O-CG 3.33Å; R642-K646 PolarHBondContact O-N 2.74Å; R642-V973 HydrophobicContact CG-CG1 4.18Å; R642-V973 HydrophobicContact CG-CG2 4.27Å
643Q87.6Confident86.2Confident90 Ų9051.9 Ų51.942%0.42125%0.249SC..Hα-helixtrans-67.4-42175.3-177.660.620.800111.1D640 E641 K646 E647D640-Q643 HydrophobicContact CB-CB 4.05Å; D640-Q643 PolarHBondContact O-N 3.25Å; D640-Q643 PolarHBondContact OD1-N 3.48Å; D640-Q643 VanDerWaalsContact OD1-N 3.15Å; E641-Q643 PolarHBondContact O-N 3.33Å; Q643-K646 PolarHBondContact O-N 3.41Å; Q643-E647 PolarHBondContact NE2-OE1 2.87Å; Q643-E647 PolarHBondContact O-N 2.97Å
644A86.3Confident85.9Confident3 Ų354.1 Ų54.13%0.02526%0.257CS..Hα-helixtrans-63.6-43.4179.900000112.8I639 D640 E641 E647 L648 S1041 Y1042I639-A644 HydrophobicContact CG2-CB 3.98Å; D640-A644 WeakPolarHBondContact O-CB 3.37Å; D640-A644 PolarHBondContact O-N 3.19Å; E641-A644 PolarHBondContact O-N 3.01Å; A644-E647 PolarHBondContact O-N 2.92Å; A644-L648 PolarHBondContact O-N 3.45Å; A644-S1041 PolarHBondContact O-OG 2.88Å; A644-Y1042 HydrophobicContact CB-CD2 4.14Å; A644-Y1042 HydrophobicContact CB-CE2 3.96Å
645C84Confident85.6Confident9 Ų954.6 Ų54.66%0.06126%0.26CS..Hα-helixtrans-58.9-46.4173.3-74.30000111.9E641 E647 L648 N649 D974 Y1042E641-C645 WeakPolarHBondContact O-CB 3.35Å; E641-C645 PolarHBondContact O-N 3.34Å; E641-C645 PolarHBondContact O-SG 2.9Å; C645-E647 VanDerWaalsContact C-N 3.33Å; C645-E647 PolarHBondContact O-N 2.87Å; C645-L648 PolarHBondContact O-N 2.92Å; C645-N649 PolarHBondContact O-N 3.44Å; C645-D974 WeakPolarHBondContact CB-OD1 3.38Å; C645-D974 PolarHBondContact SG-OD1 3.07Å; C645-D974 VanDerWaalsContact SG-OD1 3.42Å; C645-D974 PolarHBondContact SG-OD2 3.38Å; C645-D974 VanDerWaalsContact SG-OD2 3.37Å; C645-Y1042 PolarHBondContact SG-OH 3.09Å
646K84.5Confident85.6Confident151 Ų15154.5 Ų54.566%0.65726%0.26SS*.Hα-helixtrans-61-40.6177.4-75.3175-175.81800112.3R642 Q643 N649R642-K646 VanDerWaalsContact O-CG 3.27Å; R642-K646 WeakPolarHBondContact O-CG 3.33Å; R642-K646 PolarHBondContact O-N 2.74Å; Q643-K646 PolarHBondContact O-N 3.41Å; K646-N649 PolarHBondContact O-N 3.02Å
647E85.4Confident85.7Confident51 Ų5153.5 Ų53.524%0.23826%0.255CS..Hα-helixtrans-69.7-40.2179.4-74.8-169.3-161.300113.2Q643 A644 C645 N649 R660 Y694Q643-E647 PolarHBondContact NE2-OE1 2.87Å; Q643-E647 PolarHBondContact O-N 2.97Å; A644-E647 PolarHBondContact O-N 2.92Å; C645-E647 VanDerWaalsContact C-N 3.33Å; C645-E647 PolarHBondContact O-N 2.87Å; E647-N649 PolarHBondContact O-N 2.7Å; E647-R660 IonicContact OE2-NH2 3.31Å; E647-R660 PolarHBondContact OE2-NH2 2.94Å; E647-Y694 PolarHBondContact O-OH 3.05Å
648L83.6Confident85.9Confident1 Ų148.7 Ų48.71%0.00523%0.232CC..Hα-helixtrans-79.9-5.2178.5-153.865.8000112.8A644 C645 G650 F651 P653 Y694 Y1042A644-L648 PolarHBondContact O-N 3.45Å; C645-L648 PolarHBondContact O-N 2.92Å; L648-G650 VanDerWaalsContact C-N 3.27Å; L648-G650 PolarHBondContact O-N 2.9Å; L648-F651 WeakPolarHBondContact CD2-O 3.27Å; L648-F651 HydrophobicContact CG-CB 4.23Å; L648-F651 VanDerWaalsContact O-CD2 3.31Å; L648-F651 WeakPolarHBondContact O-CD2 3.44Å; L648-F651 PolarHBondContact O-N 3.27Å; L648-F651 VanDerWaalsContact O-N 3.1Å; L648-P653 HydrophobicContact CD2-CB 3.69Å; L648-P653 HydrophobicContact CD2-CG 4.3Å; L648-Y694 HydrophobicContact CD1-CD1 4.49Å; L648-Y1042 HydrophobicContact CB-CE2 4.36Å; L648-Y1042 HydrophobicContact CD2-CD2 3.98Å; L648-Y1042 HydrophobicContact CD2-CE2 3.81Å
649N79.9Confident86.3Confident60 Ų6040.7 Ų40.732%0.32120%0.195SC..THydrogen-bonded Turntrans51.442.6172.8-162.98.7000112.8C645 K646 E647 F651 D689 Y694 R751C645-N649 PolarHBondContact O-N 3.44Å; K646-N649 PolarHBondContact O-N 3.02Å; E647-N649 PolarHBondContact O-N 2.7Å; N649-F651 VanDerWaalsContact C-N 3.33Å; N649-F651 PolarHBondContact O-N 2.77Å; N649-D689 PolarHBondContact ND2-OD2 3Å; N649-Y694 HydrophobicContact CB-CE1 4.49Å; N649-Y694 HydrophobicContact CB-CE2 4.32Å; N649-R751 PolarHBondContact ND2-NH2 3.1Å; N649-R751 PolarHBondContact O-NH2 3.15Å
650G76.3Confident86.5Confident27 Ų2743.4 Ų43.428%0.27820%0.203SC..THydrogen-bonded Turntrans71.117.9178.300000115.8L648 Y938L648-G650 VanDerWaalsContact C-N 3.27Å; L648-G650 PolarHBondContact O-N 2.9Å; G650-Y938 WeakPolarHBondContact O-CD1 3.49Å; G650-Y938 WeakPolarHBondContact O-CE1 3.38Å
651F83.3Confident86.7Confident24 Ų2442.6 Ų42.611%0.10520%0.199CC..  trans-85.5156.2166.2-70.5-73.5000111.8L648 N649 P653 T656 S687 Y694 Y938L648-F651 WeakPolarHBondContact CD2-O 3.27Å; L648-F651 HydrophobicContact CG-CB 4.23Å; L648-F651 VanDerWaalsContact O-CD2 3.31Å; L648-F651 WeakPolarHBondContact O-CD2 3.44Å; L648-F651 PolarHBondContact O-N 3.27Å; L648-F651 VanDerWaalsContact O-N 3.1Å; N649-F651 VanDerWaalsContact C-N 3.33Å; N649-F651 PolarHBondContact O-N 2.77Å; F651-P653 WeakPolarHBondContact O-CD 3.38Å; F651-T656 HydrophobicContact CB-CG2 3.87Å; F651-T656 HydrophobicContact CG-CG2 4.18Å; F651-S687 VanDerWaalsContact CZ-OG 3.28Å; F651-S687 WeakPolarHBondContact CZ-OG 3.24Å; F651-Y694 AromaticContact CD2-CD1 3.64Å; F651-Y694 HydrophobicContact CD2-CD1 3.64Å; F651-Y694 AromaticContact CD2-CD2 3.9Å; F651-Y694 HydrophobicContact CD2-CD2 3.9Å; F651-Y694 HydrophobicContact CD2-CE1 4.23Å; F651-Y694 HydrophobicContact CD2-CE2 4.45Å; F651-Y694 AromaticContact CD2-CG 3.45Å; F651-Y694 HydrophobicContact CD2-CG 3.45Å; F651-Y694 VanDerWaalsContact CD2-CG 3.45Å; F651-Y694 HydrophobicContact CE2-CD1 4.09Å; F651-Y694 AromaticContact CE2-CD2 3.46Å; F651-Y694 HydrophobicContact CE2-CD2 3.46Å; F651-Y694 VanDerWaalsContact CE2-CD2 3.46Å; F651-Y694 HydrophobicContact CE2-CE2 4.13Å; F651-Y694 AromaticContact CE2-CG 3.43Å; F651-Y694 HydrophobicContact CE2-CG 3.43Å; F651-Y694 VanDerWaalsContact CE2-CG 3.43Å; F651-Y694 HydrophobicContact CG-CG 4.45Å; F651-Y694 HydrophobicContact CZ-CD2 4.47Å; F651-Y694 HydrophobicContact CZ-CG 4.44Å; F651-Y938 VanDerWaalsContact C-CE1 3.49Å
652N84Confident86.8Confident31 Ų3141.9 Ų41.917%0.16620%0.196CC..  trans-77.2120.3-178.5-172.9-25.6000111.1R654 T655 T656 Y938N652-R654 PolarHBondContact O-N 3.25Å; N652-R654 VanDerWaalsContact O-N 3.12Å; N652-R654 VanDerWaalsContact OD1-CB 3.27Å; N652-R654 WeakPolarHBondContact OD1-CB 3.23Å; N652-R654 WeakPolarHBondContact OD1-CG 3.47Å; N652-R654 PolarHBondContact OD1-N 3.12Å; N652-T655 PolarHBondContact O-N 3.28Å; N652-T655 VanDerWaalsContact O-N 3.17Å; N652-T656 WeakPolarHBondContact O-CB 3.2Å; N652-T656 PolarHBondContact O-N 3.37Å; N652-T656 PolarHBondContact O-OG1 3.42Å; N652-Y938 HydrophobicContact CB-CD1 4.06Å; N652-Y938 HydrophobicContact CB-CD2 3.67Å; N652-Y938 HydrophobicContact CB-CE1 4.21Å; N652-Y938 HydrophobicContact CB-CE2 3.81Å; N652-Y938 HydrophobicContact CB-CG 3.81Å; N652-Y938 WeakPolarHBondContact ND2-CD2 3.44Å
653P87.6Confident86.7Confident9 Ų934 Ų346%0.05817%0.167CC..THydrogen-bonded Turntrans-64-19179.625.3-34000113.8L648 F651 Y1042 L1070L648-P653 HydrophobicContact CD2-CB 3.69Å; L648-P653 HydrophobicContact CD2-CG 4.3Å; F651-P653 WeakPolarHBondContact O-CD 3.38Å; P653-Y1042 HydrophobicContact CB-CD1 4.29Å; P653-Y1042 HydrophobicContact CB-CD2 3.62Å; P653-Y1042 HydrophobicContact CB-CE2 4.01Å; P653-Y1042 HydrophobicContact CB-CG 3.76Å; P653-Y1042 HydrophobicContact CG-CD1 4.22Å; P653-Y1042 HydrophobicContact CG-CD2 4.09Å; P653-Y1042 HydrophobicContact CG-CE1 4.14Å; P653-Y1042 HydrophobicContact CG-CE2 4.04Å; P653-Y1042 HydrophobicContact CG-CG 4.17Å; P653-L1070 WeakPolarHBondContact O-CD1 3.48Å
654R86.7Confident86.5Confident48 Ų4831.3 Ų31.318%0.18116%0.158CC..THydrogen-bonded Turntrans-78.6-19.6179.5-56.5-175-173.3174.94113.1N652 S704 V706 L707 E1072 N1073N652-R654 PolarHBondContact O-N 3.25Å; N652-R654 VanDerWaalsContact O-N 3.12Å; N652-R654 VanDerWaalsContact OD1-CB 3.27Å; N652-R654 WeakPolarHBondContact OD1-CB 3.23Å; N652-R654 WeakPolarHBondContact OD1-CG 3.47Å; N652-R654 PolarHBondContact OD1-N 3.12Å; R654-S704 WeakPolarHBondContact CD-O 3.42Å; R654-S704 PolarHBondContact NH1-O 2.73Å; R654-V706 HydrophobicContact CG-CG2 4.45Å; R654-L707 PolarHBondContact O-N 2.85Å; R654-E1072 HydrophobicContact CG-CG 4.41Å; R654-E1072 IonicContact CZ-OE2 3.47Å; R654-E1072 IonicContact NE-OE2 3.98Å; R654-E1072 PolarHBondContact NE-OE2 2.88Å; R654-E1072 IonicContact NH1-OE2 3.44Å; R654-E1072 IonicContact NH2-OE2 2.9Å; R654-N1073 PolarHBondContact NH2-OD1 2.74Å
655T88.1Confident86.3Confident11 Ų1131.2 Ų31.27%0.06716%0.157CC..THydrogen-bonded Turntrans-125.1-11.5-175.463.90000114N652 E696 F697 L707 V710N652-T655 PolarHBondContact O-N 3.28Å; N652-T655 VanDerWaalsContact O-N 3.17Å; T655-E696 WeakPolarHBondContact O-CA 3.44Å; T655-F697 PolarHBondContact O-N 3.36Å; T655-L707 HydrophobicContact CG2-CD1 3.75Å; T655-L707 HydrophobicContact CG2-CG 4.16Å; T655-V710 VanDerWaalsContact C-CG2 3.46Å
656T91Very high86.2Confident0 Ų031.2 Ų31.20%016%0.157CC..EExtended strand (participates in β ladder)trans-122.1141.7-171-53.30000113.3F651 N652 V695F651-T656 HydrophobicContact CB-CG2 3.87Å; F651-T656 HydrophobicContact CG-CG2 4.18Å; N652-T656 WeakPolarHBondContact O-CB 3.2Å; N652-T656 PolarHBondContact O-N 3.37Å; N652-T656 PolarHBondContact O-OG1 3.42Å; T656-V695 VanDerWaalsContact CA-O 3.32Å; T656-V695 WeakPolarHBondContact CA-O 3.47Å
657V93.8Very high86Confident0 Ų024.1 Ų24.10%013%0.126CC..EExtended strand (participates in β ladder)trans-120.9151.5167.3-63.10000111.4F677 Y694 V695 F697 V710 A713 L714 P1038V657-F677 HydrophobicContact CG2-CE1 4.25Å; V657-F677 HydrophobicContact CG2-CZ 4.41Å; V657-Y694 WeakPolarHBondContact O-CA 3.4Å; V657-V695 HydrophobicContact CG2-CB 3.99Å; V657-V695 PolarHBondContact N-O 3.34Å; V657-V695 PolarHBondContact O-N 2.98Å; V657-F697 HydrophobicContact CG1-CE2 4.5Å; V657-F697 HydrophobicContact CG2-CE2 3.98Å; V657-F697 HydrophobicContact CG2-CZ 4.49Å; V657-V710 HydrophobicContact CG1-CB 4.39Å; V657-V710 HydrophobicContact CG1-CG1 3.81Å; V657-V710 HydrophobicContact CG1-CG2 4.49Å; V657-A713 HydrophobicContact CG1-CB 3.98Å; V657-A713 HydrophobicContact CG2-CB 4.14Å; V657-L714 HydrophobicContact CG1-CD2 4.11Å; V657-L714 HydrophobicContact CG1-CG 4.14Å; V657-P1038 HydrophobicContact CB-CB 4.05Å; V657-P1038 HydrophobicContact CG2-CB 3.96Å
658M93.3Very high85.9Confident0 Ų022.7 Ų22.70%012%0.12CC..EExtended strand (participates in β ladder)trans-106.3137.3179.4178.3-179.944.700111.7R660 A693 Y694 P1038 S1039M658-R660 VanDerWaalsContact CE-NH2 3.26Å; M658-R660 HydrophobicContact CG-CG 4.43Å; M658-R660 HydrophobicContact SD-CG 4.41Å; M658-A693 CarbonylContact C-O 3.29Å; M658-A693 WeakPolarHBondContact CA-O 3.44Å; M658-Y694 HydrophobicContact CB-CD1 4.14Å; M658-Y694 HydrophobicContact CB-CE1 4.16Å; M658-Y694 HydrophobicContact CG-CD1 4.28Å; M658-Y694 HydrophobicContact CG-CE1 3.97Å; M658-Y694 HydrophobicContact SD-CE1 3.95Å; M658-P1038 CarbonylContact O-C 3.23Å; M658-P1038 WeakPolarHBondContact O-CA 3.22Å; M658-S1039 PolarHBondContact N-O 3.34Å; M658-S1039 PolarHBondContact O-N 3.32Å; M658-S1039 PolarHBondContact O-OG 3Å
659V92.8Very high86Confident0 Ų022.9 Ų22.90%012%0.121CC..EExtended strand (participates in β ladder)trans-118.4139172.3-175.60000109.3F677 R692 A693 M723 L1035 P1038V659-F677 HydrophobicContact CG2-CE2 4.09Å; V659-F677 HydrophobicContact CG2-CZ 3.79Å; V659-R692 WeakPolarHBondContact O-CA 3.41Å; V659-A693 PolarHBondContact N-O 3.33Å; V659-A693 PolarHBondContact O-N 3.48Å; V659-M723 HydrophobicContact CG1-CE 4.06Å; V659-M723 HydrophobicContact CG2-CE 4.16Å; V659-L1035 HydrophobicContact CG1-CB 3.93Å; V659-L1035 HydrophobicContact CG1-CD1 4.02Å; V659-L1035 HydrophobicContact CG1-CD2 4.45Å; V659-L1035 HydrophobicContact CG1-CG 4.38Å; V659-P1038 HydrophobicContact CG2-CB 4.39Å
660R91.3Very high86.3Confident90 Ų9020.4 Ų20.434%0.3411%0.107SC..EExtended strand (participates in β ladder)trans-118.5171.9-177.3-62.9179.7177.6170.2-1.2110.8E647 M658 V1036E647-R660 IonicContact OE2-NH2 3.31Å; E647-R660 PolarHBondContact OE2-NH2 2.94Å; M658-R660 VanDerWaalsContact CE-NH2 3.26Å; M658-R660 HydrophobicContact CG-CG 4.43Å; M658-R660 HydrophobicContact SD-CG 4.41Å; R660-V1036 HydrophobicContact CB-CB 4.25Å; R660-V1036 PolarHBondContact N-O 2.92Å; R660-V1036 PolarHBondContact O-N 2.99Å
661N89.6Confident86.7Confident88 Ų8824.3 Ų24.347%0.47112%0.116SC..  trans64.440.8-179.1-161.342.5000113.6S691 N1034 V1036N661-S691 PolarHBondContact N-O 3.28Å; N661-N1034 PolarHBondContact ND2-O 3.02Å; N661-V1036 HydrophobicContact CB-CB 4.34Å; N661-V1036 HydrophobicContact CB-CG2 3.94Å
662L87Confident87Confident9 Ų926 Ų265%0.04712%0.124CC..PPolyproline II helixtrans-77145.1176-73.7127.2000111.9L673 F688 S691 A693 L725 L1035L662-L673 HydrophobicContact CD2-CD1 3.9Å; L662-F688 HydrophobicContact CD2-CE1 4.31Å; L662-S691 PolarHBondContact N-O 2.93Å; L662-A693 HydrophobicContact CD1-CB 3.42Å; L662-A693 VanDerWaalsContact CD1-CB 3.42Å; L662-A693 HydrophobicContact CD2-CB 4.09Å; L662-A693 HydrophobicContact CG-CB 4.41Å; L662-L725 HydrophobicContact CD2-CD1 4.24Å; L662-L1035 HydrophobicContact CD2-CD2 4.33Å; L662-L1035 HydrophobicContact CG-CD2 4.17Å
663P85.4Confident87.2Confident11 Ų1124.5 Ų24.57%0.07112%0.116CC..PPolyproline II helixtrans-67.5162.9175.333.9-41.1000111.3S666 Y669 L725 T727 V1033P663-S666 WeakPolarHBondContact O-CB 3.44Å; P663-S666 PolarHBondContact O-N 3.11Å; P663-Y669 HydrophobicContact CG-CD2 3.82Å; P663-Y669 HydrophobicContact CG-CE2 3.8Å; P663-L725 HydrophobicContact CG-CD1 4.49Å; P663-T727 HydrophobicContact CB-CG2 3.96Å; P663-T727 HydrophobicContact CG-CG2 3.63Å; P663-V1033 HydrophobicContact CB-CG2 4.48Å
664P81.9Confident87.2Confident34 Ų3427.4 Ų27.422%0.22113%0.129CC..THydrogen-bonded Turntrans-53.5148.7166.6-19.930.4000111.6S666 K746 F747P664-S666 VanDerWaalsContact C-N 3.28Å; P664-S666 PolarHBondContact O-N 3.21Å; P664-K746 WeakPolarHBondContact CA-O 3.38Å; P664-K746 HydrophobicContact CB-CG 3.83Å; P664-F747 HydrophobicContact CB-CE1 4.34Å; P664-F747 HydrophobicContact CB-CZ 4.24Å; P664-F747 HydrophobicContact CG-CE1 4.1Å; P664-F747 HydrophobicContact CG-CZ 3.77Å
665Y82.4Confident87.3Confident2 Ų228.9 Ų28.91%0.00815%0.147CC..THydrogen-bonded Turntrans57.138.1-176-49.9-76.3000113.7F667 L668 I733 E734 L742 L745 K746Y665-F667 HydrophobicContact CD1-CE1 4.03Å; Y665-F667 HydrophobicContact CD1-CZ 4.12Å; Y665-F667 PolarHBondContact O-N 2.97Å; Y665-L668 WeakPolarHBondContact O-CB 3.42Å; Y665-L668 WeakPolarHBondContact O-CG 3.32Å; Y665-L668 PolarHBondContact O-N 3.34Å; Y665-L668 VanDerWaalsContact O-N 3.09Å; Y665-I733 HydrophobicContact CD1-CG2 4.45Å; Y665-I733 HydrophobicContact CD2-CB 4.28Å; Y665-I733 HydrophobicContact CD2-CD1 3.71Å; Y665-I733 HydrophobicContact CD2-CG2 3.94Å; Y665-I733 HydrophobicContact CE2-CB 4.42Å; Y665-I733 HydrophobicContact CE2-CG2 4.17Å; Y665-I733 HydrophobicContact CG-CD1 4.25Å; Y665-I733 HydrophobicContact CG-CG2 4.09Å; Y665-E734 PolarHBondContact OH-OE1 3.29Å; Y665-L742 HydrophobicContact CE1-CB 4.03Å; Y665-L742 HydrophobicContact CE1-CD1 4.48Å; Y665-L742 PolarHBondContact OH-O 2.73Å; Y665-L745 HydrophobicContact CE1-CB 4.34Å; Y665-K746 HydrophobicContact CE1-CB 4.07Å; Y665-K746 HydrophobicContact CE1-CG 4.48Å; Y665-K746 HydrophobicContact CE2-CB 4.32Å; Y665-K746 HydrophobicContact CE2-CD 4.33Å; Y665-K746 HydrophobicContact CE2-CG 3.84Å; Y665-K746 PolarHBondContact N-O 3.23Å
666S81.8Confident87.3Confident8 Ų830.6 Ų30.66%0.05616%0.155CC..G310 helixtrans-53.9-30-174.257.80000115P663 P664 L668 Y669 F688P663-S666 WeakPolarHBondContact O-CB 3.44Å; P663-S666 PolarHBondContact O-N 3.11Å; P664-S666 VanDerWaalsContact C-N 3.28Å; P664-S666 PolarHBondContact O-N 3.21Å; S666-L668 PolarHBondContact O-N 2.93Å; S666-L668 VanDerWaalsContact O-N 3.17Å; S666-Y669 PolarHBondContact O-N 3.03Å; S666-F688 WeakPolarHBondContact O-CE1 3.3Å; S666-F688 WeakPolarHBondContact OG-CD1 3.44Å
667F81.7Confident87.3Confident2 Ų230.6 Ų30.61%0.00916%0.155CC..G310 helixtrans-58.7-25.6179.160.5-93.5000113.2Y665 Y669 Y670 F688 L752 I1014Y665-F667 HydrophobicContact CD1-CE1 4.03Å; Y665-F667 HydrophobicContact CD1-CZ 4.12Å; Y665-F667 PolarHBondContact O-N 2.97Å; F667-Y669 PolarHBondContact O-N 3.38Å; F667-Y670 WeakPolarHBondContact O-CD1 3.4Å; F667-F688 HydrophobicContact CB-CD2 4Å; F667-F688 HydrophobicContact CB-CE2 4.18Å; F667-F688 HydrophobicContact CB-CG 4.46Å; F667-L752 HydrophobicContact CB-CD1 4.12Å; F667-L752 HydrophobicContact CD1-CD1 3.56Å; F667-L752 HydrophobicContact CE1-CD1 4.19Å; F667-L752 HydrophobicContact CG-CD1 3.96Å; F667-I1014 HydrophobicContact CD2-CG2 4.07Å; F667-I1014 HydrophobicContact CE2-CB 4.47Å; F667-I1014 HydrophobicContact CE2-CG1 4.01Å; F667-I1014 HydrophobicContact CE2-CG2 3.99Å; F667-I1014 HydrophobicContact CZ-CG1 4.25Å
668L81.9Confident86.9Confident21 Ų2140.1 Ų40.111%0.1119%0.191CC..G310 helixtrans-65.7-22.5176.1-62.9173.8000112.9Y665 S666 I733 L1017 L1018 L1021Y665-L668 WeakPolarHBondContact O-CB 3.42Å; Y665-L668 WeakPolarHBondContact O-CG 3.32Å; Y665-L668 PolarHBondContact O-N 3.34Å; Y665-L668 VanDerWaalsContact O-N 3.09Å; S666-L668 PolarHBondContact O-N 2.93Å; S666-L668 VanDerWaalsContact O-N 3.17Å; L668-I733 HydrophobicContact CD1-CD1 4.07Å; L668-I733 HydrophobicContact CD1-CG1 4.49Å; L668-I733 HydrophobicContact CD1-CG2 4.16Å; L668-L1017 HydrophobicContact CD2-CB 4.16Å; L668-L1018 HydrophobicContact CD2-CD2 3.85Å; L668-L1018 HydrophobicContact CD2-CG 4.31Å; L668-L1021 HydrophobicContact CD1-CD1 3.68Å; L668-L1021 HydrophobicContact CD2-CD1 4.04Å; L668-L1021 HydrophobicContact CG-CD1 4.39Å
669Y85.7Confident86.5Confident6 Ų645.9 Ų45.92%0.02422%0.222CC..G310 helixtrans-103.711.9-172.8-49.9-62000113.4P663 S666 F667 K671 Q672 L673 T727 Y728P663-Y669 HydrophobicContact CG-CD2 3.82Å; P663-Y669 HydrophobicContact CG-CE2 3.8Å; S666-Y669 PolarHBondContact O-N 3.03Å; F667-Y669 PolarHBondContact O-N 3.38Å; Y669-K671 VanDerWaalsContact C-N 3.26Å; Y669-K671 PolarHBondContact O-N 2.94Å; Y669-Q672 WeakPolarHBondContact O-CA 3.42Å; Y669-Q672 WeakPolarHBondContact O-CB 3.25Å; Y669-Q672 PolarHBondContact O-N 2.58Å; Y669-L673 PolarHBondContact O-N 3.49Å; Y669-T727 HydrophobicContact CD2-CG2 4.28Å; Y669-T727 HydrophobicContact CE2-CG2 3.94Å; Y669-Y728 HydrophobicContact CE1-CD2 4.06Å; Y669-Y728 PolarHBondContact OH-N 3.23Å
670Y85.9Confident86.2Confident7 Ų745.9 Ų45.93%0.02722%0.222CC..Hα-helixtrans-56.7-35.2-178.680.7-77.6000113.6F667 Q672 L673 Q674 A754 L1018F667-Y670 WeakPolarHBondContact O-CD1 3.4Å; Y670-Q672 PolarHBondContact O-N 3.08Å; Y670-L673 PolarHBondContact O-N 2.73Å; Y670-Q674 WeakPolarHBondContact O-CB 3.23Å; Y670-Q674 PolarHBondContact O-N 3.03Å; Y670-A754 HydrophobicContact CD2-CB 3.63Å; Y670-A754 HydrophobicContact CE2-CB 4.19Å; Y670-A754 HydrophobicContact CG-CB 3.86Å; Y670-L1018 HydrophobicContact CE1-CD2 4.24Å
671K85.9Confident85.9Confident109 Ų10942.2 Ų42.247%0.47421%0.211SC..Hα-helixtrans-65.7-35.2174.5-65.6-173.4178.8-175.90112.7Y669 S675Y669-K671 VanDerWaalsContact C-N 3.26Å; Y669-K671 PolarHBondContact O-N 2.94Å; K671-S675 PolarHBondContact O-N 2.99Å
672Q88.9Confident85.7Confident60 Ų6042.7 Ų42.728%0.2821%0.211SC..Hα-helixtrans-69.1-43.7174.1-66.3-175.446.300110.5Y669 Y670 Q674 S675 L676 L725 Q726Y669-Q672 WeakPolarHBondContact O-CA 3.42Å; Y669-Q672 WeakPolarHBondContact O-CB 3.25Å; Y669-Q672 PolarHBondContact O-N 2.58Å; Y670-Q672 PolarHBondContact O-N 3.08Å; Q672-Q674 PolarHBondContact O-N 3.46Å; Q672-S675 WeakPolarHBondContact O-CB 3.23Å; Q672-S675 PolarHBondContact O-N 3.39Å; Q672-S675 VanDerWaalsContact O-N 3.13Å; Q672-L676 WeakPolarHBondContact O-CG 3.23Å; Q672-L676 PolarHBondContact O-N 3.27Å; Q672-L725 HydrophobicContact CB-CD2 3.78Å; Q672-Q726 PolarHBondContact NE2-O 3.06Å
673L87.5Confident85.6Confident0 Ų042.5 Ų42.50%021%0.21CC..Hα-helixtrans-59.2-46.7174.2-72.8170.7000111.8L662 Y669 Y670 S675 L676 F677 V686 F688 A693 L725 L1035L662-L673 HydrophobicContact CD2-CD1 3.9Å; Y669-L673 PolarHBondContact O-N 3.49Å; Y670-L673 PolarHBondContact O-N 2.73Å; L673-S675 VanDerWaalsContact C-N 3.26Å; L673-S675 PolarHBondContact O-N 3.2Å; L673-L676 HydrophobicContact CD2-CD1 4.4Å; L673-L676 WeakPolarHBondContact O-CB 3.49Å; L673-L676 PolarHBondContact O-N 3.32Å; L673-L676 VanDerWaalsContact O-N 3.11Å; L673-F677 VanDerWaalsContact O-CD2 3.25Å; L673-F677 WeakPolarHBondContact O-CD2 3.37Å; L673-F677 PolarHBondContact O-N 2.97Å; L673-V686 HydrophobicContact CD1-CG1 4.09Å; L673-F688 HydrophobicContact CD1-CE1 3.59Å; L673-F688 HydrophobicContact CD1-CZ 3.88Å; L673-A693 HydrophobicContact CD1-CB 4.22Å; L673-L725 HydrophobicContact CD2-CD1 4.36Å; L673-L725 HydrophobicContact CD2-CD2 4.15Å; L673-L725 HydrophobicContact CG-CD2 4.29Å; L673-L1035 HydrophobicContact CD2-CD1 3.62Å
674Q88.6Confident85.5Confident69 Ų6945.8 Ų45.832%0.32222%0.223SC..Hα-helixtrans-54.1-44.6173.3176.8-171.29.600111.5Y670 Q672 L676 F677 R678 I756Y670-Q674 WeakPolarHBondContact O-CB 3.23Å; Y670-Q674 PolarHBondContact O-N 3.03Å; Q672-Q674 PolarHBondContact O-N 3.46Å; Q674-L676 VanDerWaalsContact C-N 3.32Å; Q674-L676 PolarHBondContact O-N 3.06Å; Q674-F677 PolarHBondContact O-N 3.06Å; Q674-R678 PolarHBondContact O-N 3.28Å; Q674-I756 HydrophobicContact CB-CD1 3.99Å; Q674-I756 VanDerWaalsContact CD-CG2 3.4Å; Q674-I756 HydrophobicContact CG-CD1 3.85Å; Q674-I756 HydrophobicContact CG-CG2 4.33Å
675S88.3Confident85.7Confident79 Ų7944.8 Ų44.855%0.55222%0.216SC*.Hα-helixtrans-63.7-35.8179.1-171.80000112.8K671 Q672 L673 F677 R678K671-S675 PolarHBondContact O-N 2.99Å; Q672-S675 WeakPolarHBondContact O-CB 3.23Å; Q672-S675 PolarHBondContact O-N 3.39Å; Q672-S675 VanDerWaalsContact O-N 3.13Å; L673-S675 VanDerWaalsContact C-N 3.26Å; L673-S675 PolarHBondContact O-N 3.2Å; S675-F677 VanDerWaalsContact C-N 3.3Å; S675-F677 PolarHBondContact O-N 2.82Å; S675-R678 WeakPolarHBondContact O-CB 3.43Å; S675-R678 PolarHBondContact O-N 2.92Å
676L88.5Confident86Confident48 Ų4844.7 Ų44.725%0.25122%0.216SC..Hα-helixtrans-63.7-35.8176.9-68.9174.1000111.9Q672 L673 Q674 M723 L725 L1035Q672-L676 WeakPolarHBondContact O-CG 3.23Å; Q672-L676 PolarHBondContact O-N 3.27Å; L673-L676 HydrophobicContact CD2-CD1 4.4Å; L673-L676 WeakPolarHBondContact O-CB 3.49Å; L673-L676 PolarHBondContact O-N 3.32Å; L673-L676 VanDerWaalsContact O-N 3.11Å; Q674-L676 VanDerWaalsContact C-N 3.32Å; Q674-L676 PolarHBondContact O-N 3.06Å; L676-M723 HydrophobicContact CD1-CB 4.41Å; L676-M723 HydrophobicContact CD1-CE 4.04Å; L676-L725 HydrophobicContact CD1-CD2 4.08Å; L676-L1035 HydrophobicContact CD1-CD1 4.09Å
677F90.1Very high86.3Confident0 Ų044.3 Ų44.30%021%0.214CC..Hα-helixtrans-91.91.7-179.1-68.9-73.5000114.7V657 V659 L673 Q674 S675 L679 C680 G681 V683 V695 F697 A713 M716 M723 P1038V657-F677 HydrophobicContact CG2-CE1 4.25Å; V657-F677 HydrophobicContact CG2-CZ 4.41Å; V659-F677 HydrophobicContact CG2-CE2 4.09Å; V659-F677 HydrophobicContact CG2-CZ 3.79Å; L673-F677 VanDerWaalsContact O-CD2 3.25Å; L673-F677 WeakPolarHBondContact O-CD2 3.37Å; L673-F677 PolarHBondContact O-N 2.97Å; Q674-F677 PolarHBondContact O-N 3.06Å; S675-F677 VanDerWaalsContact C-N 3.3Å; S675-F677 PolarHBondContact O-N 2.82Å; F677-L679 PolarHBondContact O-N 2.93Å; F677-L679 VanDerWaalsContact O-N 3.14Å; F677-C680 WeakPolarHBondContact O-CA 3.41Å; F677-C680 WeakPolarHBondContact O-CB 3.31Å; F677-C680 PolarHBondContact O-N 3.19Å; F677-G681 PolarHBondContact O-N 3.41Å; F677-V683 HydrophobicContact CB-CG2 3.78Å; F677-V695 HydrophobicContact CD2-CG1 3.92Å; F677-V695 HydrophobicContact CD2-CG2 4.14Å; F677-V695 HydrophobicContact CE2-CB 4.43Å; F677-V695 HydrophobicContact CE2-CG1 4.31Å; F677-V695 HydrophobicContact CE2-CG2 3.8Å; F677-V695 HydrophobicContact CG-CG1 4.23Å; F677-V695 HydrophobicContact CZ-CG2 4.47Å; F677-F697 HydrophobicContact CB-CE1 4.04Å; F677-F697 HydrophobicContact CB-CZ 4.19Å; F677-F697 AromaticContact CD1-CZ 3.92Å; F677-F697 HydrophobicContact CD1-CZ 3.92Å; F677-F697 HydrophobicContact CG-CZ 4.21Å; F677-A713 HydrophobicContact CD1-CB 4.1Å; F677-A713 HydrophobicContact CE1-CB 3.97Å; F677-M716 HydrophobicContact CD1-SD 4.23Å; F677-M716 HydrophobicContact CE1-SD 4.32Å; F677-M723 HydrophobicContact CE2-CE 4.12Å; F677-M723 HydrophobicContact CZ-CE 3.89Å; F677-M723 HydrophobicContact CZ-SD 4.49Å; F677-P1038 HydrophobicContact CE1-CB 4.05Å; F677-P1038 HydrophobicContact CE1-CG 3.98Å; F677-P1038 HydrophobicContact CZ-CB 4.1Å; F677-P1038 HydrophobicContact CZ-CG 4.35Å
678R86.4Confident86.4Confident200 Ų20044.5 Ų44.576%0.75521%0.214SC*.THydrogen-bonded Turntrans-56-33.8-178.3-175.7178.2179.1-179.90.9113.7Q674 S675 C680Q674-R678 PolarHBondContact O-N 3.28Å; S675-R678 WeakPolarHBondContact O-CB 3.43Å; S675-R678 PolarHBondContact O-N 2.92Å; R678-C680 VanDerWaalsContact C-N 3.33Å
679L84Confident86.5Confident121 Ų12145 Ų4563%0.63422%0.217SC*.THydrogen-bonded Turntrans-74.6-25.4177.5-64.5178.2000112.7L525 R529 F677L525-L679 HydrophobicContact CD1-CB 3.88Å; L525-L679 HydrophobicContact CD1-CD1 4.28Å; R529-L679 PolarHBondContact NH1-O 2.83Å; F677-L679 PolarHBondContact O-N 2.93Å; F677-L679 VanDerWaalsContact O-N 3.14Å
680C86.9Confident86.2Confident0 Ų047.4 Ų47.40%023%0.234CC..THydrogen-bonded Turntrans-77.3-44.9177.8-62.80000110.9R529 F677 R678 F697 E709 L712 A713 M716R529-C680 VanDerWaalsContact CZ-O 3.26Å; R529-C680 PolarHBondContact NH1-O 3.47Å; R529-C680 PolarHBondContact NH2-O 3.37Å; F677-C680 WeakPolarHBondContact O-CA 3.41Å; F677-C680 WeakPolarHBondContact O-CB 3.31Å; F677-C680 PolarHBondContact O-N 3.19Å; R678-C680 VanDerWaalsContact C-N 3.33Å; C680-F697 HydrophobicContact CB-CE1 4.12Å; C680-F697 HydrophobicContact CB-CZ 4.23Å; C680-E709 WeakPolarHBondContact O-CG 3.43Å; C680-L712 HydrophobicContact CB-CB 4.26Å; C680-A713 HydrophobicContact CB-CB 4.47Å; C680-A713 VanDerWaalsContact SG-CA 3.6Å; C680-M716 PolarHBondContact SG-SD 3.05Å
681G84.9Confident86.2Confident12 Ų1249.5 Ų49.512%0.12425%0.25CS..  trans167-168.7177.300000113.2F677 V683F677-G681 PolarHBondContact O-N 3.41Å; G681-V683 PolarHBondContact O-N 3.16Å
682Q84.9Confident86.3Confident99 Ų9948.6 Ų48.646%0.46324%0.243SC..  trans-81.6110.1178.7-169.3178.2000110.4H698Q682-H698 HydrophobicContact CB-CB 4.47Å; Q682-H698 PolarHBondContact O-N 3.48Å; Q682-H698 PolarHBondContact O-ND1 3.34Å
683V86.4Confident86.4Confident4 Ų445.7 Ų45.72%0.02423%0.23CC..EExtended strand (participates in β ladder)trans-68.4134.1174.5-171.60000109.7F677 G681 V686 V695 E696 F697 H698 I756F677-V683 HydrophobicContact CB-CG2 3.78Å; G681-V683 PolarHBondContact O-N 3.16Å; V683-V686 HydrophobicContact CG1-CG2 3.94Å; V683-V695 HydrophobicContact CB-CG1 4.47Å; V683-V695 HydrophobicContact CG1-CG1 3.56Å; V683-V695 HydrophobicContact CG2-CG1 4.01Å; V683-E696 WeakPolarHBondContact CG1-O 3.47Å; V683-F697 HydrophobicContact CG2-CD1 4.2Å; V683-F697 HydrophobicContact CG2-CE1 3.91Å; V683-H698 PolarHBondContact O-CE1 3.1Å; V683-H698 PolarHBondContact O-ND1 3.34Å; V683-I756 HydrophobicContact CB-CD1 3.39Å; V683-I756 HydrophobicContact CG1-CD1 3.25Å
684K83.5Confident86.6Confident80 Ų8045.7 Ų45.735%0.34823%0.23SC..EExtended strand (participates in β ladder)trans-89.9-62.3177.8-175.9-170.5159.1-1620110.7E696 H698 I756K684-E696 WeakPolarHBondContact CB-O 3.14Å; K684-E696 HydrophobicContact CD-CG 4.34Å; K684-E696 PolarHBondContact N-O 3Å; K684-E696 IonicContact NZ-OE1 3.1Å; K684-E696 PolarHBondContact NZ-OE1 3.1Å; K684-E696 IonicContact NZ-OE2 2.7Å; K684-E696 PolarHBondContact NZ-OE2 2.88Å; K684-H698 WeakPolarHBondContact CA-CE1 3.5Å; K684-H698 WeakPolarHBondContact CA-ND1 3.45Å; K684-I756 PolarHBondContact O-N 2.86Å
685T86.2Confident86.8Confident13 Ų1342.4 Ų42.48%0.0822%0.215CC..EExtended strand (participates in β ladder)trans-133.7153.3179.266.40000111.2E696 T753 A754T685-E696 PolarHBondContact N-O 3.4Å; T685-E696 PolarHBondContact O-N 3.48Å; T685-E696 WeakPolarHBondContact OG1-CB 3.35Å; T685-E696 PolarHBondContact OG1-OE2 3.48Å; T685-T753 HydrophobicContact CG2-CG2 4.22Å; T685-A754 WeakPolarHBondContact CA-O 3.39Å
686V87.9Confident86.9Confident0 Ų040.2 Ų40.20%020%0.196CC..EExtended strand (participates in β ladder)trans-123.1112.4166.1-175.30000108L673 V683 F688 A693 Y694 V695 A754 I756L673-V686 HydrophobicContact CD1-CG1 4.09Å; V683-V686 HydrophobicContact CG1-CG2 3.94Å; V686-F688 HydrophobicContact CB-CE2 4.22Å; V686-F688 HydrophobicContact CB-CZ 4.3Å; V686-F688 HydrophobicContact CG1-CD2 4.46Å; V686-F688 HydrophobicContact CG1-CE1 3.97Å; V686-F688 HydrophobicContact CG1-CE2 3.71Å; V686-F688 HydrophobicContact CG1-CZ 3.43Å; V686-F688 VanDerWaalsContact CG1-CZ 3.43Å; V686-A693 HydrophobicContact CG1-CB 4.35Å; V686-Y694 CarbonylContact C-O 3.58Å; V686-Y694 WeakPolarHBondContact CA-O 3.18Å; V686-V695 HydrophobicContact CG1-CG2 4.41Å; V686-A754 HydrophobicContact CB-CB 4.48Å; V686-A754 PolarHBondContact N-O 3.07Å; V686-A754 PolarHBondContact O-N 2.9Å; V686-I756 HydrophobicContact CG2-CD1 4.03Å
687S87.3Confident86.9Confident1 Ų138 Ų381%0.00718%0.184CC..EExtended strand (participates in β ladder)trans-102.2134.5178.9-54.50000110.6F651 A693 Y694 L752 T753F651-S687 VanDerWaalsContact CZ-OG 3.28Å; F651-S687 WeakPolarHBondContact CZ-OG 3.24Å; S687-A693 CarbonylContact O-C 3.43Å; S687-A693 VanDerWaalsContact O-CA 3.26Å; S687-A693 WeakPolarHBondContact O-CA 3.36Å; S687-Y694 PolarHBondContact N-O 3.47Å; S687-Y694 PolarHBondContact O-N 2.99Å; S687-L752 CarbonylContact C-O 3.44Å; S687-L752 VanDerWaalsContact CA-O 3.3Å; S687-L752 WeakPolarHBondContact CA-O 3.33Å; S687-T753 PolarHBondContact OG-OG1 3.08Å
688F85.6Confident86.5Confident5 Ų539 Ų392%0.02219%0.189CC..EExtended strand (participates in β ladder)trans-111135.8-178.5-59.3-86.6000110.6L662 S666 F667 L673 V686 A693 L752 A754L662-F688 HydrophobicContact CD2-CE1 4.31Å; S666-F688 WeakPolarHBondContact O-CE1 3.3Å; S666-F688 WeakPolarHBondContact OG-CD1 3.44Å; F667-F688 HydrophobicContact CB-CD2 4Å; F667-F688 HydrophobicContact CB-CE2 4.18Å; F667-F688 HydrophobicContact CB-CG 4.46Å; L673-F688 HydrophobicContact CD1-CE1 3.59Å; L673-F688 HydrophobicContact CD1-CZ 3.88Å; V686-F688 HydrophobicContact CB-CE2 4.22Å; V686-F688 HydrophobicContact CB-CZ 4.3Å; V686-F688 HydrophobicContact CG1-CD2 4.46Å; V686-F688 HydrophobicContact CG1-CE1 3.97Å; V686-F688 HydrophobicContact CG1-CE2 3.71Å; V686-F688 HydrophobicContact CG1-CZ 3.43Å; V686-F688 VanDerWaalsContact CG1-CZ 3.43Å; F688-A693 HydrophobicContact CD1-CB 3.9Å; F688-A693 HydrophobicContact CE1-CB 3.98Å; F688-L752 HydrophobicContact CB-CB 4.29Å; F688-L752 HydrophobicContact CD2-CB 4.49Å; F688-L752 PolarHBondContact N-O 2.88Å; F688-L752 PolarHBondContact O-N 2.97Å; F688-A754 HydrophobicContact CE2-CB 4.39Å
689D82.1Confident85.8Confident31 Ų3134.6 Ų34.617%0.16617%0.172CC..EExtended strand (participates in β ladder)trans-141.5105.7175.9-178.97.4000108.5N649 S691 R692 Y694N649-D689 PolarHBondContact ND2-OD2 3Å; D689-S691 PolarHBondContact O-N 3.32Å; D689-R692 PolarHBondContact N-O 3.43Å; D689-R692 WeakPolarHBondContact O-CA 3.33Å; D689-R692 WeakPolarHBondContact O-CB 3.26Å; D689-R692 PolarHBondContact O-N 2.99Å; D689-Y694 HydrophobicContact CB-CE2 3.9Å
690C80.3Confident84.6Confident58 Ų5832.4 Ų32.439%0.39216%0.164SC..THydrogen-bonded Turntrans51.1-112.3-175.9-56.50000112.3
691S85.4Confident83.3Confident51 Ų5134.6 Ų34.636%0.35718%0.179SC..THydrogen-bonded Turntrans-98.418.917971.20000113.4N661 L662 D689N661-S691 PolarHBondContact N-O 3.28Å; L662-S691 PolarHBondContact N-O 2.93Å; D689-S691 PolarHBondContact O-N 3.32Å
692R89.3Confident81.9Confident89 Ų8941 Ų4134%0.33621%0.21SC..EExtended strand (participates in β ladder)trans-123.1145.9-177.4-55.9176.8-174.8173.41.6110.4V659 D689 Y694V659-R692 WeakPolarHBondContact O-CA 3.41Å; D689-R692 PolarHBondContact N-O 3.43Å; D689-R692 WeakPolarHBondContact O-CA 3.33Å; D689-R692 WeakPolarHBondContact O-CB 3.26Å; D689-R692 PolarHBondContact O-N 2.99Å; R692-Y694 HydrophobicContact CB-CE2 4.32Å
693A90.4Very high80.8Confident0 Ų039.1 Ų39.10%020%0.203CC..EExtended strand (participates in β ladder)trans-129.713817200000109.4M658 V659 L662 L673 V686 S687 F688M658-A693 CarbonylContact C-O 3.29Å; M658-A693 WeakPolarHBondContact CA-O 3.44Å; V659-A693 PolarHBondContact N-O 3.33Å; V659-A693 PolarHBondContact O-N 3.48Å; L662-A693 HydrophobicContact CD1-CB 3.42Å; L662-A693 VanDerWaalsContact CD1-CB 3.42Å; L662-A693 HydrophobicContact CD2-CB 4.09Å; L662-A693 HydrophobicContact CG-CB 4.41Å; L673-A693 HydrophobicContact CD1-CB 4.22Å; V686-A693 HydrophobicContact CG1-CB 4.35Å; S687-A693 CarbonylContact O-C 3.43Å; S687-A693 VanDerWaalsContact O-CA 3.26Å; S687-A693 WeakPolarHBondContact O-CA 3.36Å; F688-A693 HydrophobicContact CD1-CB 3.9Å; F688-A693 HydrophobicContact CE1-CB 3.98Å
694Y91.6Very high79.6Confident0 Ų040.1 Ų40.10%021%0.211CC..EExtended strand (participates in β ladder)trans-112.1116.7178.5-58.8-84.6000107.9E647 L648 N649 F651 V657 M658 V686 S687 D689 R692E647-Y694 PolarHBondContact O-OH 3.05Å; L648-Y694 HydrophobicContact CD1-CD1 4.49Å; N649-Y694 HydrophobicContact CB-CE1 4.49Å; N649-Y694 HydrophobicContact CB-CE2 4.32Å; F651-Y694 AromaticContact CD2-CD1 3.64Å; F651-Y694 HydrophobicContact CD2-CD1 3.64Å; F651-Y694 AromaticContact CD2-CD2 3.9Å; F651-Y694 HydrophobicContact CD2-CD2 3.9Å; F651-Y694 HydrophobicContact CD2-CE1 4.23Å; F651-Y694 HydrophobicContact CD2-CE2 4.45Å; F651-Y694 AromaticContact CD2-CG 3.45Å; F651-Y694 HydrophobicContact CD2-CG 3.45Å; F651-Y694 VanDerWaalsContact CD2-CG 3.45Å; F651-Y694 HydrophobicContact CE2-CD1 4.09Å; F651-Y694 AromaticContact CE2-CD2 3.46Å; F651-Y694 HydrophobicContact CE2-CD2 3.46Å; F651-Y694 VanDerWaalsContact CE2-CD2 3.46Å; F651-Y694 HydrophobicContact CE2-CE2 4.13Å; F651-Y694 AromaticContact CE2-CG 3.43Å; F651-Y694 HydrophobicContact CE2-CG 3.43Å; F651-Y694 VanDerWaalsContact CE2-CG 3.43Å; F651-Y694 HydrophobicContact CG-CG 4.45Å; F651-Y694 HydrophobicContact CZ-CD2 4.47Å; F651-Y694 HydrophobicContact CZ-CG 4.44Å; V657-Y694 WeakPolarHBondContact O-CA 3.4Å; M658-Y694 HydrophobicContact CB-CD1 4.14Å; M658-Y694 HydrophobicContact CB-CE1 4.16Å; M658-Y694 HydrophobicContact CG-CD1 4.28Å; M658-Y694 HydrophobicContact CG-CE1 3.97Å; M658-Y694 HydrophobicContact SD-CE1 3.95Å; V686-Y694 CarbonylContact C-O 3.58Å; V686-Y694 WeakPolarHBondContact CA-O 3.18Å; S687-Y694 PolarHBondContact N-O 3.47Å; S687-Y694 PolarHBondContact O-N 2.99Å; D689-Y694 HydrophobicContact CB-CE2 3.9Å; R692-Y694 HydrophobicContact CB-CE2 4.32Å
695V92.1Very high79.2Confident0 Ų036.8 Ų36.80%020%0.199CC..EExtended strand (participates in β ladder)trans-106.1110.1-175.7-178.80000108T656 V657 F677 V683 V686 F697T656-V695 VanDerWaalsContact CA-O 3.32Å; T656-V695 WeakPolarHBondContact CA-O 3.47Å; V657-V695 HydrophobicContact CG2-CB 3.99Å; V657-V695 PolarHBondContact N-O 3.34Å; V657-V695 PolarHBondContact O-N 2.98Å; F677-V695 HydrophobicContact CD2-CG1 3.92Å; F677-V695 HydrophobicContact CD2-CG2 4.14Å; F677-V695 HydrophobicContact CE2-CB 4.43Å; F677-V695 HydrophobicContact CE2-CG1 4.31Å; F677-V695 HydrophobicContact CE2-CG2 3.8Å; F677-V695 HydrophobicContact CG-CG1 4.23Å; F677-V695 HydrophobicContact CZ-CG2 4.47Å; V683-V695 HydrophobicContact CB-CG1 4.47Å; V683-V695 HydrophobicContact CG1-CG1 3.56Å; V683-V695 HydrophobicContact CG2-CG1 4.01Å; V686-V695 HydrophobicContact CG1-CG2 4.41Å; V695-F697 HydrophobicContact CG1-CE1 4.5Å; V695-F697 HydrophobicContact CG1-CE2 4.42Å; V695-F697 HydrophobicContact CG1-CZ 4.14Å
696E90.3Very high79.1Confident33 Ų3337.7 Ų37.715%0.15421%0.205CC..EExtended strand (participates in β ladder)trans-97.3134.9178.7-167.4-169.6178.300110.1T655 V683 K684 T685T655-E696 WeakPolarHBondContact O-CA 3.44Å; V683-E696 WeakPolarHBondContact CG1-O 3.47Å; K684-E696 WeakPolarHBondContact CB-O 3.14Å; K684-E696 HydrophobicContact CD-CG 4.34Å; K684-E696 PolarHBondContact N-O 3Å; K684-E696 IonicContact NZ-OE1 3.1Å; K684-E696 PolarHBondContact NZ-OE1 3.1Å; K684-E696 IonicContact NZ-OE2 2.7Å; K684-E696 PolarHBondContact NZ-OE2 2.88Å; T685-E696 PolarHBondContact N-O 3.4Å; T685-E696 PolarHBondContact O-N 3.48Å; T685-E696 WeakPolarHBondContact OG1-CB 3.35Å; T685-E696 PolarHBondContact OG1-OE2 3.48Å
697F89.4Confident79Confident1 Ų137.8 Ų37.80%0.00421%0.205CC..EExtended strand (participates in β ladder)trans-99154.5178.2-63.6-82.4000112.5T655 V657 F677 C680 V683 V695 L707 E709 V710 A713T655-F697 PolarHBondContact O-N 3.36Å; V657-F697 HydrophobicContact CG1-CE2 4.5Å; V657-F697 HydrophobicContact CG2-CE2 3.98Å; V657-F697 HydrophobicContact CG2-CZ 4.49Å; F677-F697 HydrophobicContact CB-CE1 4.04Å; F677-F697 HydrophobicContact CB-CZ 4.19Å; F677-F697 AromaticContact CD1-CZ 3.92Å; F677-F697 HydrophobicContact CD1-CZ 3.92Å; F677-F697 HydrophobicContact CG-CZ 4.21Å; C680-F697 HydrophobicContact CB-CE1 4.12Å; C680-F697 HydrophobicContact CB-CZ 4.23Å; V683-F697 HydrophobicContact CG2-CD1 4.2Å; V683-F697 HydrophobicContact CG2-CE1 3.91Å; V695-F697 HydrophobicContact CG1-CE1 4.5Å; V695-F697 HydrophobicContact CG1-CE2 4.42Å; V695-F697 HydrophobicContact CG1-CZ 4.14Å; F697-L707 HydrophobicContact CB-CD1 4.16Å; F697-E709 HydrophobicContact CB-CB 3.88Å; F697-E709 HydrophobicContact CB-CG 4.27Å; F697-E709 HydrophobicContact CD1-CB 3.86Å; F697-E709 HydrophobicContact CD1-CG 4.24Å; F697-E709 HydrophobicContact CD2-CB 4.01Å; F697-E709 HydrophobicContact CE1-CB 4.38Å; F697-E709 HydrophobicContact CG-CB 3.64Å; F697-E709 HydrophobicContact CG-CG 4.31Å; F697-V710 HydrophobicContact CD2-CG2 3.94Å; F697-V710 HydrophobicContact CE2-CG2 4.42Å; F697-A713 HydrophobicContact CE2-CB 4.12Å; F697-A713 HydrophobicContact CZ-CB 4.02Å
698H81.4Confident79Confident22 Ų2240 Ų4010%0.10222%0.22CC..PPolyproline II helixtrans-68135.1170.3-78.287.1000111.1Q682 V683 K684 T700 Q757Q682-H698 HydrophobicContact CB-CB 4.47Å; Q682-H698 PolarHBondContact O-N 3.48Å; Q682-H698 PolarHBondContact O-ND1 3.34Å; V683-H698 PolarHBondContact O-CE1 3.1Å; V683-H698 PolarHBondContact O-ND1 3.34Å; K684-H698 WeakPolarHBondContact CA-CE1 3.5Å; K684-H698 WeakPolarHBondContact CA-ND1 3.45Å; H698-T700 PolarHBondContact O-N 3.43Å; H698-Q757 PolarHBondContact CE1-NE2 3.13Å; H698-Q757 PolarHBondContact NE2-NE2 3.38Å
699R71.6Confident79.2Confident107 Ų10740.3 Ų40.340%0.40422%0.221SC..  trans-74.4110.3168.4-179.3176.2-98.1166.3-6108.4S701 L707R699-S701 WeakPolarHBondContact CG-O 3.47Å; R699-L707 HydrophobicContact CB-CD2 4.36Å; R699-L707 HydrophobicContact CG-CD2 4.2Å
700T59.7Low79.6Confident75 Ų7538.8 Ų38.846%0.4621%0.213SC..  trans-96.1-12.318052.60000113H698H698-T700 PolarHBondContact O-N 3.43Å
701S58.7Low80Confident45 Ų4537.1 Ų37.132%0.31520%0.201SC..SBendtrans-129.7151.5179.860.20000111.3R699 D703R699-S701 WeakPolarHBondContact CG-O 3.47Å; S701-D703 PolarHBondContact O-N 3.31Å; S701-D703 VanDerWaalsContact O-N 3.15Å
702N55.6Low80.2Confident147 Ų14734.7 Ų34.779%0.78618%0.184SC*.SBendtrans-75.89.9175.2-67.4-4.3000113.1
703D61.3Low80.3Confident59 Ų5930.4 Ų30.432%0.31617%0.168SC..  trans-74.9135.5177.6-163.6-15.4000110S701 G705S701-D703 PolarHBondContact O-N 3.31Å; S701-D703 VanDerWaalsContact O-N 3.15Å; D703-G705 VanDerWaalsContact C-N 3.33Å; D703-G705 PolarHBondContact OD1-N 3.45Å
704S61.4Low80.3Confident26 Ų2630.7 Ų30.718%0.18217%0.169CC..  trans-85.3-2.5-177.855.70000113.4R654 K911R654-S704 WeakPolarHBondContact CD-O 3.42Å; R654-S704 PolarHBondContact NH1-O 2.73Å; S704-K911 PolarHBondContact O-NZ 2.8Å; S704-K911 WeakPolarHBondContact OG-CD 3.48Å; S704-K911 WeakPolarHBondContact OG-CE 3.24Å; S704-K911 PolarHBondContact OG-NZ 3.4Å
705G75.3Confident80.1Confident10 Ų1030.8 Ų30.810%0.10317%0.169CC..SBendtrans-77.7-175.2176.600000115.1D703 L707 K911 E1072D703-G705 VanDerWaalsContact C-N 3.33Å; D703-G705 PolarHBondContact OD1-N 3.45Å; G705-L707 PolarHBondContact O-N 2.98Å; G705-K911 VanDerWaalsContact N-NZ 3.11Å; G705-E1072 WeakPolarHBondContact CA-OE1 3.06Å
706V84.3Confident79.8Confident32 Ų3231.3 Ų31.319%0.19417%0.172CC..  trans-58.8132.9171.6-179.80000111.1R654 V710 L1070 E1072R654-V706 HydrophobicContact CG-CG2 4.45Å; V706-V710 HydrophobicContact CG1-CB 3.92Å; V706-V710 HydrophobicContact CG1-CG1 3.92Å; V706-L1070 HydrophobicContact CG1-CD1 3.95Å; V706-L1070 HydrophobicContact CG2-CB 4.12Å; V706-L1070 HydrophobicContact CG2-CD1 4.12Å; V706-E1072 HydrophobicContact CG2-CG 3.57Å; V706-E1072 VanDerWaalsContact CG2-OE1 3.31Å; V706-E1072 WeakPolarHBondContact CG2-OE1 3.2Å; V706-E1072 PolarHBondContact N-OE1 3.43Å
707L86.3Confident79.5Confident2 Ų231.5 Ų31.51%0.0118%0.18CC..  trans-63.1136.5175.7-69.2-176.9000111.6R654 T655 F697 R699 G705 E709 V710 T711R654-L707 PolarHBondContact O-N 2.85Å; T655-L707 HydrophobicContact CG2-CD1 3.75Å; T655-L707 HydrophobicContact CG2-CG 4.16Å; F697-L707 HydrophobicContact CB-CD1 4.16Å; R699-L707 HydrophobicContact CB-CD2 4.36Å; R699-L707 HydrophobicContact CG-CD2 4.2Å; G705-L707 PolarHBondContact O-N 2.98Å; L707-E709 HydrophobicContact CB-CB 4.42Å; L707-E709 PolarHBondContact O-N 3.46Å; L707-E709 VanDerWaalsContact O-N 3.12Å; L707-V710 HydrophobicContact CB-CG2 4.23Å; L707-V710 WeakPolarHBondContact O-CB 3.11Å; L707-V710 PolarHBondContact O-N 2.96Å; L707-T711 PolarHBondContact O-N 2.76Å
708P87.1Confident78.9Confident48 Ų4834.8 Ų34.831%0.31220%0.195SC..Hα-helixtrans-52.1-35172.1-2735000112.7V710 T711 L712P708-V710 VanDerWaalsContact C-N 3.33Å; P708-V710 PolarHBondContact O-N 3.1Å; P708-T711 WeakPolarHBondContact O-CB 3.31Å; P708-T711 PolarHBondContact O-N 2.77Å; P708-L712 WeakPolarHBondContact O-CB 3.45Å; P708-L712 VanDerWaalsContact O-CG 3.26Å; P708-L712 WeakPolarHBondContact O-CG 3.46Å; P708-L712 PolarHBondContact O-N 2.86Å
709E89.8Confident78.6Confident10 Ų1035.2 Ų35.25%0.04720%0.196CC..Hα-helixtrans-56.9-42.1176.3-7164-146.100112.9R529 C680 F697 L707 L712 A713R529-E709 IonicContact NH2-OE1 3.58Å; R529-E709 PolarHBondContact NH2-OE1 2.67Å; C680-E709 WeakPolarHBondContact O-CG 3.43Å; F697-E709 HydrophobicContact CB-CB 3.88Å; F697-E709 HydrophobicContact CB-CG 4.27Å; F697-E709 HydrophobicContact CD1-CB 3.86Å; F697-E709 HydrophobicContact CD1-CG 4.24Å; F697-E709 HydrophobicContact CD2-CB 4.01Å; F697-E709 HydrophobicContact CE1-CB 4.38Å; F697-E709 HydrophobicContact CG-CB 3.64Å; F697-E709 HydrophobicContact CG-CG 4.31Å; L707-E709 HydrophobicContact CB-CB 4.42Å; L707-E709 PolarHBondContact O-N 3.46Å; L707-E709 VanDerWaalsContact O-N 3.12Å; E709-L712 PolarHBondContact O-N 2.86Å; E709-A713 WeakPolarHBondContact O-CB 3.35Å; E709-A713 PolarHBondContact O-N 3.29Å
710V90.6Very high78.6Confident0 Ų034.7 Ų34.70%021%0.209CC..Hα-helixtrans-67.2-44.2177.91700000110.1T655 V657 F697 V706 L707 P708 L712 A713 L714 L1070T655-V710 VanDerWaalsContact C-CG2 3.46Å; V657-V710 HydrophobicContact CG1-CB 4.39Å; V657-V710 HydrophobicContact CG1-CG1 3.81Å; V657-V710 HydrophobicContact CG1-CG2 4.49Å; F697-V710 HydrophobicContact CD2-CG2 3.94Å; F697-V710 HydrophobicContact CE2-CG2 4.42Å; V706-V710 HydrophobicContact CG1-CB 3.92Å; V706-V710 HydrophobicContact CG1-CG1 3.92Å; L707-V710 HydrophobicContact CB-CG2 4.23Å; L707-V710 WeakPolarHBondContact O-CB 3.11Å; L707-V710 PolarHBondContact O-N 2.96Å; P708-V710 VanDerWaalsContact C-N 3.33Å; P708-V710 PolarHBondContact O-N 3.1Å; V710-L712 PolarHBondContact O-N 3.17Å; V710-A713 PolarHBondContact O-N 3.22Å; V710-L714 HydrophobicContact CG1-CD1 4.16Å; V710-L714 WeakPolarHBondContact O-CG 3.39Å; V710-L714 PolarHBondContact O-N 2.79Å; V710-L1070 HydrophobicContact CG1-CD1 3.73Å
711T89.1Confident79.5Confident22 Ų2234.9 Ų34.914%0.13520%0.204CC..Hα-helixtrans-60.5-47176.5-56.90000110.8L532 L707 P708 A713 L714 Q715L532-T711 HydrophobicContact CD1-CG2 4.06Å; L707-T711 PolarHBondContact O-N 2.76Å; P708-T711 WeakPolarHBondContact O-CB 3.31Å; P708-T711 PolarHBondContact O-N 2.77Å; T711-A713 VanDerWaalsContact C-N 3.34Å; T711-A713 PolarHBondContact O-N 3.32Å; T711-L714 PolarHBondContact O-N 3.46Å; T711-Q715 WeakPolarHBondContact O-CG 3.38Å; T711-Q715 PolarHBondContact O-N 3.29Å
712L89.6Confident80.4Confident0 Ų041.2 Ų41.20%023%0.225CC..Hα-helixtrans-61.6-40.5177.3-70.3170.4000112.3L525 H528 R529 L532 C680 P708 E709 V710 Q715 M716L525-L712 WeakPolarHBondContact CD2-O 3.36Å; L525-L712 WeakPolarHBondContact O-CD2 3.31Å; H528-L712 HydrophobicContact CB-CD2 4.1Å; R529-L712 HydrophobicContact CB-CD1 3.86Å; R529-L712 HydrophobicContact CB-CD2 4.14Å; R529-L712 HydrophobicContact CG-CD1 4.05Å; L532-L712 HydrophobicContact CD1-CD2 4.3Å; L532-L712 HydrophobicContact CD1-CG 4.36Å; C680-L712 HydrophobicContact CB-CB 4.26Å; P708-L712 WeakPolarHBondContact O-CB 3.45Å; P708-L712 VanDerWaalsContact O-CG 3.26Å; P708-L712 WeakPolarHBondContact O-CG 3.46Å; P708-L712 PolarHBondContact O-N 2.86Å; E709-L712 PolarHBondContact O-N 2.86Å; V710-L712 PolarHBondContact O-N 3.17Å; L712-Q715 WeakPolarHBondContact O-CB 3.31Å; L712-Q715 PolarHBondContact O-N 3.39Å; L712-M716 PolarHBondContact O-N 3.49Å
713A91.1Very high81.9Confident0 Ų034.5 Ų34.50%019%0.19CC..Hα-helixtrans-60.6-52.9175.600000110.5V657 F677 C680 F697 E709 V710 T711 Q715 M716 P1038V657-A713 HydrophobicContact CG1-CB 3.98Å; V657-A713 HydrophobicContact CG2-CB 4.14Å; F677-A713 HydrophobicContact CD1-CB 4.1Å; F677-A713 HydrophobicContact CE1-CB 3.97Å; C680-A713 HydrophobicContact CB-CB 4.47Å; C680-A713 VanDerWaalsContact SG-CA 3.6Å; F697-A713 HydrophobicContact CE2-CB 4.12Å; F697-A713 HydrophobicContact CZ-CB 4.02Å; E709-A713 WeakPolarHBondContact O-CB 3.35Å; E709-A713 PolarHBondContact O-N 3.29Å; V710-A713 PolarHBondContact O-N 3.22Å; T711-A713 VanDerWaalsContact C-N 3.34Å; T711-A713 PolarHBondContact O-N 3.32Å; A713-Q715 PolarHBondContact O-N 3.19Å; A713-M716 WeakPolarHBondContact O-CB 3.47Å; A713-M716 PolarHBondContact O-N 3.05Å; A713-P1038 VanDerWaalsContact C-CG 3.44Å; A713-P1038 HydrophobicContact CB-CG 4.25Å; A713-P1038 WeakPolarHBondContact O-CG 3.42Å
714L90.5Very high83.2Confident5 Ų535.5 Ų35.53%0.02619%0.192CC..Hα-helixtrans-60.5-31.5179.8-63.9171.7000112.9V657 V710 T711 M716 A717 H718 V1068 L1070V657-L714 HydrophobicContact CG1-CD2 4.11Å; V657-L714 HydrophobicContact CG1-CG 4.14Å; V710-L714 HydrophobicContact CG1-CD1 4.16Å; V710-L714 WeakPolarHBondContact O-CG 3.39Å; V710-L714 PolarHBondContact O-N 2.79Å; T711-L714 PolarHBondContact O-N 3.46Å; L714-M716 VanDerWaalsContact C-N 3.29Å; L714-M716 PolarHBondContact O-N 3.31Å; L714-A717 PolarHBondContact O-N 3.11Å; L714-H718 PolarHBondContact O-N 3.06Å; L714-V1068 HydrophobicContact CB-CB 4.3Å; L714-V1068 HydrophobicContact CB-CG1 3.62Å; L714-V1068 HydrophobicContact CB-CG2 4.39Å; L714-V1068 HydrophobicContact CD1-CG1 3.7Å; L714-V1068 HydrophobicContact CG-CG1 4.27Å; L714-L1070 HydrophobicContact CD1-CD1 4.09Å; L714-L1070 HydrophobicContact CD1-CD2 3.71Å; L714-L1070 HydrophobicContact CD1-CG 4.08Å
715Q86.5Confident84.5Confident2 Ų234.2 Ų34.21%0.00918%0.184CC..Hα-helixtrans-65.5-27.7172.5-75-165.8-2800114.5H528 T711 L712 A713 A717 H718 K719 S1067 V1068H528-Q715 PolarHBondContact CD2-NE2 3.26Å; H528-Q715 PolarHBondContact CD2-OE1 3.2Å; H528-Q715 VanDerWaalsContact CE1-CD 3.48Å; H528-Q715 PolarHBondContact CE1-NE2 3.26Å; H528-Q715 PolarHBondContact CE1-OE1 3.32Å; H528-Q715 PolarHBondContact ND1-NE2 2.89Å; H528-Q715 PolarHBondContact ND1-OE1 2.85Å; H528-Q715 PolarHBondContact NE2-NE2 2.92Å; T711-Q715 WeakPolarHBondContact O-CG 3.38Å; T711-Q715 PolarHBondContact O-N 3.29Å; L712-Q715 WeakPolarHBondContact O-CB 3.31Å; L712-Q715 PolarHBondContact O-N 3.39Å; A713-Q715 PolarHBondContact O-N 3.19Å; Q715-A717 VanDerWaalsContact C-N 3.26Å; Q715-A717 PolarHBondContact O-N 3.45Å; Q715-H718 PolarHBondContact O-N 3.49Å; Q715-K719 WeakPolarHBondContact O-CB 3.42Å; Q715-K719 WeakPolarHBondContact O-CG 3.26Å; Q715-K719 PolarHBondContact O-N 3.03Å; Q715-S1067 PolarHBondContact NE2-OG 3.35Å; Q715-V1068 HydrophobicContact CG-CG2 4.22Å
716M86.8Confident85Confident11 Ų1138.3 Ų38.35%0.05420%0.2CC..Hα-helixtrans-57.2-44.8173.7-64.7176.367.800110.6L525 F677 C680 L712 A713 L714 K719 S720 F721 P1038L525-M716 HydrophobicContact CD1-CG 3.92Å; L525-M716 HydrophobicContact CD1-SD 4.33Å; L525-M716 HydrophobicContact CD2-CG 3.89Å; F677-M716 HydrophobicContact CD1-SD 4.23Å; F677-M716 HydrophobicContact CE1-SD 4.32Å; C680-M716 PolarHBondContact SG-SD 3.05Å; L712-M716 PolarHBondContact O-N 3.49Å; A713-M716 WeakPolarHBondContact O-CB 3.47Å; A713-M716 PolarHBondContact O-N 3.05Å; L714-M716 VanDerWaalsContact C-N 3.29Å; L714-M716 PolarHBondContact O-N 3.31Å; M716-K719 PolarHBondContact O-N 3.43Å; M716-S720 PolarHBondContact O-N 3.43Å; M716-F721 HydrophobicContact CB-CB 4.18Å; M716-F721 HydrophobicContact CB-CD2 4.25Å; M716-F721 HydrophobicContact CB-CG 4.33Å; M716-F721 WeakPolarHBondContact O-CB 3.48Å; M716-F721 WeakPolarHBondContact O-CD2 3.41Å; M716-F721 PolarHBondContact O-N 2.93Å; M716-P1038 HydrophobicContact CB-CG 4.5Å
717A82.6Confident85.1Confident38 Ų3837 Ų3731%0.31419%0.192SC..Hα-helixtrans-64.1-45.1176.400000111.2L714 Q715 K719 S720 P1038L714-A717 PolarHBondContact O-N 3.11Å; Q715-A717 VanDerWaalsContact C-N 3.26Å; Q715-A717 PolarHBondContact O-N 3.45Å; A717-K719 PolarHBondContact O-N 2.95Å; A717-S720 PolarHBondContact O-N 3.13Å; A717-P1038 HydrophobicContact CB-CG 4.47Å; A717-P1038 VanDerWaalsContact CB-O 3.29Å; A717-P1038 WeakPolarHBondContact CB-O 3.44Å
718H78.1Confident85Confident70 Ų7038.9 Ų38.932%0.32420%0.199SC..Hα-helixtrans-65.7-25.8-178.2-158.973.7000113.8L714 Q715 K1062 V1068L714-H718 PolarHBondContact O-N 3.06Å; Q715-H718 PolarHBondContact O-N 3.49Å; H718-K1062 PolarHBondContact O-NZ 2.99Å; H718-V1068 HydrophobicContact CB-CG2 4.23Å
719K74Confident84.7Confident30 Ų3038.3 Ų38.313%0.1320%0.196CC..THydrogen-bonded Turntrans-96.311.1175-59.6-158.8-173-156.80113.8Q524 Q715 M716 A717 F721 K1062 N1063Q524-K719 HydrophobicContact CB-CD 4.37Å; Q715-K719 WeakPolarHBondContact O-CB 3.42Å; Q715-K719 WeakPolarHBondContact O-CG 3.26Å; Q715-K719 PolarHBondContact O-N 3.03Å; M716-K719 PolarHBondContact O-N 3.43Å; A717-K719 PolarHBondContact O-N 2.95Å; K719-F721 VanDerWaalsContact C-N 3.3Å; K719-F721 HydrophobicContact CB-CD2 3.92Å; K719-F721 HydrophobicContact CB-CE2 3.88Å; K719-F721 PolarHBondContact O-N 3.48Å; K719-K1062 VanDerWaalsContact CE-O 3.31Å; K719-K1062 WeakPolarHBondContact CE-O 3.33Å; K719-K1062 PolarHBondContact NZ-O 2.97Å; K719-N1063 PolarHBondContact NZ-OD1 2.8Å
720S73.3Confident84.2Confident96 Ų9639.4 Ų39.467%0.67120%0.204SC*.THydrogen-bonded Turntrans58.737.1175.3-500000113.6M716 A717 K722M716-S720 PolarHBondContact O-N 3.43Å; A717-S720 PolarHBondContact O-N 3.13Å; S720-K722 PolarHBondContact O-N 3.1Å
721F78Confident83.5Confident79 Ų7947 Ų4735%0.34624%0.24SC..  trans-61.9126.4169.8-82.9-99.8000109.5L525 M716 K719 M723L525-F721 HydrophobicContact CG-CZ 4.42Å; M716-F721 HydrophobicContact CB-CB 4.18Å; M716-F721 HydrophobicContact CB-CD2 4.25Å; M716-F721 HydrophobicContact CB-CG 4.33Å; M716-F721 WeakPolarHBondContact O-CB 3.48Å; M716-F721 WeakPolarHBondContact O-CD2 3.41Å; M716-F721 PolarHBondContact O-N 2.93Å; K719-F721 VanDerWaalsContact C-N 3.3Å; K719-F721 HydrophobicContact CB-CD2 3.92Å; K719-F721 HydrophobicContact CB-CE2 3.88Å; K719-F721 PolarHBondContact O-N 3.48Å; F721-M723 PolarHBondContact O-N 3.49Å
722K78.2Confident82.8Confident178 Ų17848.9 Ų48.977%0.77425%0.247SC*.  trans-72.3121.3173.6-68.3-173.9177.6-174.90109.3S720S720-K722 PolarHBondContact O-N 3.1Å
723M86Confident82.2Confident7 Ų748.9 Ų48.93%0.03425%0.247CC..  trans-106.9110172.8-73.9-179.35400109.1V659 L676 F677 F721 L1035 P1038V659-M723 HydrophobicContact CG1-CE 4.06Å; V659-M723 HydrophobicContact CG2-CE 4.16Å; L676-M723 HydrophobicContact CD1-CB 4.41Å; L676-M723 HydrophobicContact CD1-CE 4.04Å; F677-M723 HydrophobicContact CE2-CE 4.12Å; F677-M723 HydrophobicContact CZ-CE 3.89Å; F677-M723 HydrophobicContact CZ-SD 4.49Å; F721-M723 PolarHBondContact O-N 3.49Å; M723-L1035 HydrophobicContact CB-CB 3.92Å; M723-L1035 HydrophobicContact CB-CD1 4.3Å; M723-L1035 HydrophobicContact CB-CG 4.5Å; M723-L1035 HydrophobicContact CE-CB 4.27Å; M723-L1035 HydrophobicContact CE-CD1 3.73Å; M723-L1035 PolarHBondContact O-N 3.16Å; M723-P1038 VanDerWaalsContact SD-CD 3.51Å
724E89Confident81.5Confident79 Ų7952 Ų5237%0.36926%0.262SS..EExtended strand (participates in β ladder)trans-121134.1-177.7-59-172-170.900109.8N1032 V1033 N1034E724-N1032 PolarHBondContact OE2-ND2 3.46Å; E724-V1033 WeakPolarHBondContact CA-O 3.48Å; E724-N1034 WeakPolarHBondContact CG-OD1 3.1Å
725L88Confident80.6Confident0 Ų059.7 Ų59.70%030%0.295CS..EExtended strand (participates in β ladder)trans-105.5137.8168.5-65.3-177.6000110.2L662 P663 Q672 L673 L676 T727 N1032 V1033 L1035L662-L725 HydrophobicContact CD2-CD1 4.24Å; P663-L725 HydrophobicContact CG-CD1 4.49Å; Q672-L725 HydrophobicContact CB-CD2 3.78Å; L673-L725 HydrophobicContact CD2-CD1 4.36Å; L673-L725 HydrophobicContact CD2-CD2 4.15Å; L673-L725 HydrophobicContact CG-CD2 4.29Å; L676-L725 HydrophobicContact CD1-CD2 4.08Å; L725-T727 HydrophobicContact CB-CG2 3.87Å; L725-N1032 WeakPolarHBondContact O-CA 3.46Å; L725-V1033 PolarHBondContact N-O 2.89Å; L725-V1033 PolarHBondContact O-N 2.82Å; L725-L1035 HydrophobicContact CD1-CD1 3.92Å; L725-L1035 HydrophobicContact CD1-CD2 3.77Å; L725-L1035 HydrophobicContact CD1-CG 4.21Å; L725-L1035 HydrophobicContact CD2-CD1 4.08Å; L725-L1035 HydrophobicContact CG-CD1 3.66Å; L725-L1035 HydrophobicContact CG-CD2 4.08Å; L725-L1035 HydrophobicContact CG-CG 3.99Å
726Q87.2Confident79.7Confident95 Ų9561.6 Ų61.644%0.44431%0.308SS..EExtended strand (participates in β ladder)trans-89.7111.9168.3-66.1-171.9-12.600109.2Q672 K1030Q672-Q726 PolarHBondContact NE2-O 3.06Å; Q726-K1030 HydrophobicContact CB-CD 4.18Å
727T85.9Confident78.5Confident6 Ų662.3 Ų62.34%0.03731%0.313CS..EExtended strand (participates in β ladder)trans-118.2155-170.270.90000111.7P663 Y669 L725 K1030 T1031 V1033P663-T727 HydrophobicContact CB-CG2 3.96Å; P663-T727 HydrophobicContact CG-CG2 3.63Å; Y669-T727 HydrophobicContact CD2-CG2 4.28Å; Y669-T727 HydrophobicContact CE2-CG2 3.94Å; L725-T727 HydrophobicContact CB-CG2 3.87Å; T727-K1030 WeakPolarHBondContact O-CA 3.49Å; T727-T1031 PolarHBondContact N-O 3.49Å; T727-T1031 PolarHBondContact O-N 2.98Å; T727-T1031 PolarHBondContact OG1-O 2.98Å; T727-T1031 PolarHBondContact OG1-OG1 3.5Å; T727-T1031 VanDerWaalsContact OG1-OG1 3.06Å; T727-V1033 HydrophobicContact CG2-CB 4.22Å; T727-V1033 HydrophobicContact CG2-CG2 3.89Å
728Y83.6Confident77.4Confident41 Ų4163.5 Ų63.516%0.16133%0.33CS..  trans-93.5140.5174.1-64.9-84000108.8Y669 L1021 C1028 K1030Y669-Y728 HydrophobicContact CE1-CD2 4.06Å; Y669-Y728 PolarHBondContact OH-N 3.23Å; Y728-L1021 HydrophobicContact CD2-CD2 4.29Å; Y728-L1021 HydrophobicContact CE2-CD2 4.26Å; Y728-C1028 HydrophobicContact CD1-CB 4.45Å; Y728-C1028 HydrophobicContact CE1-CB 4.16Å; Y728-K1030 HydrophobicContact CE1-CG 4.33Å; Y728-K1030 WeakPolarHBondContact OH-CE 3.31Å
729P80.6Confident76.3Confident36 Ų3671.7 Ų71.723%0.23436%0.357CS..  trans-53.8139.5170.8-23.932.9000111.4E731 Q732 I733P729-E731 PolarHBondContact O-N 3.22Å; P729-Q732 HydrophobicContact CB-CG 4.33Å; P729-Q732 HydrophobicContact CG-CG 4.45Å; P729-Q732 WeakPolarHBondContact O-CB 3.43Å; P729-Q732 PolarHBondContact O-N 3.09Å; P729-I733 PolarHBondContact O-N 3.38Å
730S79.4Confident75.8Confident32 Ų3279.1 Ų79.122%0.22439%0.385CS..Hα-helixtrans-56.9-35.6-177.2-57.10000112.9Q732 I733 E734S730-Q732 PolarHBondContact O-N 3.37Å; S730-I733 PolarHBondContact O-N 3.19Å; S730-E734 WeakPolarHBondContact O-CG 3.22Å; S730-E734 PolarHBondContact O-N 3.2Å
731E75.8Confident75.1Confident160 Ų16079.3 Ų79.375%0.74839%0.386SS*.Hα-helixtrans-58.6-35.3176.9-64.3163.7-170.400112.4P729 F735P729-E731 PolarHBondContact O-N 3.22Å; E731-F735 WeakPolarHBondContact O-CB 3.25Å; E731-F735 PolarHBondContact O-N 2.79Å
732Q75.6Confident74.5Confident62 Ų6276 Ų7629%0.2937%0.372SS..Hα-helixtrans-76.6-38.8179.4-66.8-178.70.500111.8P729 S730 E734 F735 C736P729-Q732 HydrophobicContact CB-CG 4.33Å; P729-Q732 HydrophobicContact CG-CG 4.45Å; P729-Q732 WeakPolarHBondContact O-CB 3.43Å; P729-Q732 PolarHBondContact O-N 3.09Å; S730-Q732 PolarHBondContact O-N 3.37Å; Q732-E734 VanDerWaalsContact C-N 3.32Å; Q732-F735 WeakPolarHBondContact O-CB 3.19Å; Q732-F735 PolarHBondContact O-N 3.19Å; Q732-C736 PolarHBondContact O-N 3.05Å; Q732-C736 VanDerWaalsContact O-N 3.08Å; Q732-C736 PolarHBondContact O-SG 2.94Å; Q732-C736 VanDerWaalsContact O-SG 3.35Å
733I76.7Confident73.7Confident0 Ų070.9 Ų70.90%036%0.363CS..Hα-helixtrans-62.6-44.1176.2-60.8170000109.7Y665 L668 P729 S730 F735 C736 L1017Y665-I733 HydrophobicContact CD1-CG2 4.45Å; Y665-I733 HydrophobicContact CD2-CB 4.28Å; Y665-I733 HydrophobicContact CD2-CD1 3.71Å; Y665-I733 HydrophobicContact CD2-CG2 3.94Å; Y665-I733 HydrophobicContact CE2-CB 4.42Å; Y665-I733 HydrophobicContact CE2-CG2 4.17Å; Y665-I733 HydrophobicContact CG-CD1 4.25Å; Y665-I733 HydrophobicContact CG-CG2 4.09Å; L668-I733 HydrophobicContact CD1-CD1 4.07Å; L668-I733 HydrophobicContact CD1-CG1 4.49Å; L668-I733 HydrophobicContact CD1-CG2 4.16Å; P729-I733 PolarHBondContact O-N 3.38Å; S730-I733 PolarHBondContact O-N 3.19Å; I733-F735 VanDerWaalsContact C-N 3.33Å; I733-F735 PolarHBondContact O-N 2.87Å; I733-C736 PolarHBondContact O-N 3.01Å; I733-L1017 HydrophobicContact CG2-CD2 4.21Å
734E75.4Confident72.7Confident65 Ų6574.6 Ų74.630%0.30438%0.38SS..Hα-helixtrans-65.5-35.9176.7-68.7172.1-163.900111.5Y665 S730 Q732 T737 K746Y665-E734 PolarHBondContact OH-OE1 3.29Å; S730-E734 WeakPolarHBondContact O-CG 3.22Å; S730-E734 PolarHBondContact O-N 3.2Å; Q732-E734 VanDerWaalsContact C-N 3.32Å; E734-T737 PolarHBondContact O-N 3.21Å; E734-T737 PolarHBondContact O-OG1 3.27Å; E734-K746 IonicContact OE1-NZ 3.34Å; E734-K746 PolarHBondContact OE1-NZ 3.46Å
735F71.8Confident71.7Confident166 Ų16670.9 Ų70.973%0.72836%0.363SS*.Hα-helixtrans-64.8-39.1175.9-172.8-95000113.5E731 Q732 I733 T737 G738E731-F735 WeakPolarHBondContact O-CB 3.25Å; E731-F735 PolarHBondContact O-N 2.79Å; Q732-F735 WeakPolarHBondContact O-CB 3.19Å; Q732-F735 PolarHBondContact O-N 3.19Å; I733-F735 VanDerWaalsContact C-N 3.33Å; I733-F735 PolarHBondContact O-N 2.87Å; F735-T737 PolarHBondContact O-N 2.83Å; F735-T737 VanDerWaalsContact O-N 3.11Å; F735-G738 PolarHBondContact O-N 3.49Å
736C67.6Low70.5Confident43 Ų4373.8 Ų73.829%0.29138%0.375SS..Hα-helixtrans-60.2-21.5178-70.10000113.4Q732 I733 Q1020Q732-C736 PolarHBondContact O-N 3.05Å; Q732-C736 VanDerWaalsContact O-N 3.08Å; Q732-C736 PolarHBondContact O-SG 2.94Å; Q732-C736 VanDerWaalsContact O-SG 3.35Å; I733-C736 PolarHBondContact O-N 3.01Å; C736-Q1020 PolarHBondContact O-OE1 3.03Å
737T62.6Low69.2Low25 Ų2574.2 Ų74.215%0.15338%0.376CS..THydrogen-bonded Turntrans-98.110.4-175.465.20000115.5E734 F735 L742 L1017E734-T737 PolarHBondContact O-N 3.21Å; E734-T737 PolarHBondContact O-OG1 3.27Å; F735-T737 PolarHBondContact O-N 2.83Å; F735-T737 VanDerWaalsContact O-N 3.11Å; T737-L742 HydrophobicContact CG2-CD1 3.62Å; T737-L742 WeakPolarHBondContact OG1-CD1 3.46Å; T737-L1017 HydrophobicContact CG2-CD1 4.31Å; T737-L1017 HydrophobicContact CG2-CD2 3.28Å; T737-L1017 HydrophobicContact CG2-CG 3.84Å
738G59.3Low67.7Low64 Ų6474.4 Ų74.466%0.6638%0.377SS*.THydrogen-bonded Turntrans70.535.9172.800000114.8F735 R740F735-G738 PolarHBondContact O-N 3.49Å; G738-R740 PolarHBondContact O-N 3.06Å
739R55.4Low66.4Low241 Ų24182.4 Ų82.491%0.90941%0.407SS*.THydrogen-bonded Turntrans66.122178.3-57.6-174.3178.5-169.30116.2
740R61.6Low65.6Low187 Ų18783.4 Ų83.471%0.70641%0.407SS*.  trans-72.7137.8164.3-70.4-176.4178.4-177-0.1109.7G738 L742G738-R740 PolarHBondContact O-N 3.06Å; R740-L742 PolarHBondContact O-N 3.27Å
741S59.8Low65.1Low100 Ų10083.3 Ų83.370%0.69940%0.402SS*.  trans-73.6106.7179.8170.90000111
742L65.4Low65.1Low8 Ų875.8 Ų75.84%0.04237%0.366CS..  trans-95.621.4177.7-63.2172.1000113.4Y665 T737 R740 H744 L745 K746 T1013 L1017Y665-L742 HydrophobicContact CE1-CB 4.03Å; Y665-L742 HydrophobicContact CE1-CD1 4.48Å; Y665-L742 PolarHBondContact OH-O 2.73Å; T737-L742 HydrophobicContact CG2-CD1 3.62Å; T737-L742 WeakPolarHBondContact OG1-CD1 3.46Å; R740-L742 PolarHBondContact O-N 3.27Å; L742-H744 PolarHBondContact O-N 2.77Å; L742-L745 HydrophobicContact CD2-CD1 3.98Å; L742-L745 PolarHBondContact O-N 2.9Å; L742-L745 VanDerWaalsContact O-N 3.07Å; L742-K746 PolarHBondContact O-N 3.19Å; L742-K746 VanDerWaalsContact O-N 3.16Å; L742-T1013 HydrophobicContact CD2-CG2 4Å; L742-L1017 HydrophobicContact CD1-CD1 4.38Å
743A61.8Low65.2Low71 Ų7173.7 Ų73.759%0.58736%0.358SS*.Hα-helixtrans-58.7-30.3-176.400000112.6
744H64.6Low65.2Low85 Ų8573.7 Ų73.739%0.39436%0.358SS..Hα-helixtrans-74-24.417866.8-66000114L742 S748 D1010L742-H744 PolarHBondContact O-N 2.77Å; H744-S748 WeakPolarHBondContact O-CA 3.49Å; H744-D1010 IonicContact CD2-OD1 2.88Å; H744-D1010 IonicContact CD2-OD2 3.21Å; H744-D1010 IonicContact CE1-OD1 3.55Å; H744-D1010 IonicContact NE2-OD1 3.66Å; H744-D1010 PolarHBondContact NE2-OD1 2.88Å; H744-D1010 IonicContact NE2-OD2 2.97Å
745L67.7Low65.2Low2 Ų273 Ų731%0.0136%0.356CS..Hα-helixtrans-94.9-14.5178.2-69.2171.4000113.4Y665 L742 F747 S748 I1014Y665-L745 HydrophobicContact CE1-CB 4.34Å; L742-L745 HydrophobicContact CD2-CD1 3.98Å; L742-L745 PolarHBondContact O-N 2.9Å; L742-L745 VanDerWaalsContact O-N 3.07Å; L745-F747 VanDerWaalsContact C-N 3.34Å; L745-F747 PolarHBondContact O-N 2.91Å; L745-S748 PolarHBondContact O-N 3.47Å; L745-I1014 HydrophobicContact CD2-CD1 4.44Å
746K63.6Low65.3Low61 Ų6165.9 Ų65.927%0.26533%0.326SS..Hα-helixtrans-58.3-43.7-177-165.3163.4-171.6157.20112.9P664 Y665 E734 L742P664-K746 WeakPolarHBondContact CA-O 3.38Å; P664-K746 HydrophobicContact CB-CG 3.83Å; Y665-K746 HydrophobicContact CE1-CB 4.07Å; Y665-K746 HydrophobicContact CE1-CG 4.48Å; Y665-K746 HydrophobicContact CE2-CB 4.32Å; Y665-K746 HydrophobicContact CE2-CD 4.33Å; Y665-K746 HydrophobicContact CE2-CG 3.84Å; Y665-K746 PolarHBondContact N-O 3.23Å; E734-K746 IonicContact OE1-NZ 3.34Å; E734-K746 PolarHBondContact OE1-NZ 3.46Å; L742-K746 PolarHBondContact O-N 3.19Å; L742-K746 VanDerWaalsContact O-N 3.16Å
747F59.5Low65.2Low104 Ų10467 Ų6746%0.45633%0.326SS..THydrogen-bonded Turntrans-133.763.3168.3-60.4-74.6000107.2P664 L745 R749P664-F747 HydrophobicContact CB-CE1 4.34Å; P664-F747 HydrophobicContact CB-CZ 4.24Å; P664-F747 HydrophobicContact CG-CE1 4.1Å; P664-F747 HydrophobicContact CG-CZ 3.77Å; L745-F747 VanDerWaalsContact C-N 3.34Å; L745-F747 PolarHBondContact O-N 2.91Å; F747-R749 PolarHBondContact O-N 2.86Å
748S54.3Low65.1Low9 Ų969.1 Ų69.16%0.06334%0.342CS..THydrogen-bonded Turntrans-31.1121.6-173.6179.40000112.4H744 L745 Y750H744-S748 WeakPolarHBondContact O-CA 3.49Å; L745-S748 PolarHBondContact O-N 3.47Å; S748-Y750 WeakPolarHBondContact CB-O 3.41Å; S748-Y750 PolarHBondContact O-N 3.49Å; S748-Y750 PolarHBondContact OG-N 3.49Å; S748-Y750 VanDerWaalsContact OG-N 3.1Å; S748-Y750 PolarHBondContact OG-O 3.33Å
749R55.7Low65.3Low209 Ų20971.7 Ų71.779%0.78934%0.337SS*.SBendtrans-66.1-12.1169.4-75.8-169.2-177.2-173.81.4112.1F747 S766F747-R749 PolarHBondContact O-N 2.86Å; R749-S766 WeakPolarHBondContact O-CB 3.39Å; R749-S766 PolarHBondContact O-OG 3.02Å
750Y63.5Low65.9Low58 Ų5862.8 Ų62.823%0.22731%0.312CS..SBendtrans-103.9150.7-179.4-47.8-69.1000110.7S748 L752 L763S748-Y750 WeakPolarHBondContact CB-O 3.41Å; S748-Y750 PolarHBondContact O-N 3.49Å; S748-Y750 PolarHBondContact OG-N 3.49Å; S748-Y750 VanDerWaalsContact OG-N 3.1Å; S748-Y750 PolarHBondContact OG-O 3.33Å; Y750-L752 PolarHBondContact O-N 3.36Å; Y750-L763 HydrophobicContact CD2-CD2 4.49Å; Y750-L763 HydrophobicContact CG-CD2 4.49Å
751R70.3Confident66.2Low30 Ų3054.6 Ų54.611%0.11328%0.282CS..EExtended strand (participates in β ladder)trans-75.7122.4173.1175.8177.2-84.3-178.9-4.3108.9N649 M764N649-R751 PolarHBondContact ND2-NH2 3.1Å; N649-R751 PolarHBondContact O-NH2 3.15Å; R751-M764 HydrophobicContact CB-CB 4.33Å; R751-M764 PolarHBondContact N-O 3.29Å; R751-M764 PolarHBondContact O-N 2.9Å
752L75.9Confident66.6Low2 Ų251.7 Ų51.71%0.0126%0.262CS..EExtended strand (participates in β ladder)trans-104.5117.7175.8-82.1164.7000109.6F667 S687 F688 Y750 L763 I1014F667-L752 HydrophobicContact CB-CD1 4.12Å; F667-L752 HydrophobicContact CD1-CD1 3.56Å; F667-L752 HydrophobicContact CE1-CD1 4.19Å; F667-L752 HydrophobicContact CG-CD1 3.96Å; S687-L752 CarbonylContact C-O 3.44Å; S687-L752 VanDerWaalsContact CA-O 3.3Å; S687-L752 WeakPolarHBondContact CA-O 3.33Å; F688-L752 HydrophobicContact CB-CB 4.29Å; F688-L752 HydrophobicContact CD2-CB 4.49Å; F688-L752 PolarHBondContact N-O 2.88Å; F688-L752 PolarHBondContact O-N 2.97Å; Y750-L752 PolarHBondContact O-N 3.36Å; L752-L763 HydrophobicContact CD2-CD2 3.29Å; L752-L763 HydrophobicContact CD2-CG 3.59Å; L752-L763 HydrophobicContact CG-CD2 3.77Å; L752-I1014 HydrophobicContact CD1-CD1 4.46Å; L752-I1014 HydrophobicContact CD2-CD1 3.65Å
753T77.8Confident66.4Low18 Ų1851.5 Ų51.511%0.1126%0.261CS..EExtended strand (participates in β ladder)trans-110118.2179.8-56.50000110.2T685 S687 S762T685-T753 HydrophobicContact CG2-CG2 4.22Å; S687-T753 PolarHBondContact OG-OG1 3.08Å; T753-S762 PolarHBondContact N-O 3.09Å; T753-S762 PolarHBondContact O-N 3.41Å; T753-S762 PolarHBondContact O-OG 3.03Å
754A76.6Confident66.1Low0 Ų052.6 Ų52.60%026%0.255CS..EExtended strand (participates in β ladder)trans-91.6113.7171.500000109.8Y670 T685 V686 F688 L761Y670-A754 HydrophobicContact CD2-CB 3.63Å; Y670-A754 HydrophobicContact CE2-CB 4.19Å; Y670-A754 HydrophobicContact CG-CB 3.86Å; T685-A754 WeakPolarHBondContact CA-O 3.39Å; V686-A754 HydrophobicContact CB-CB 4.48Å; V686-A754 PolarHBondContact N-O 3.07Å; V686-A754 PolarHBondContact O-N 2.9Å; F688-A754 HydrophobicContact CE2-CB 4.39Å; A754-L761 HydrophobicContact CB-CD2 3.48Å; A754-L761 VanDerWaalsContact CB-CD2 3.48Å
755D74.4Confident65.3Low50 Ų5050.4 Ų50.427%0.26725%0.246SC..EExtended strand (participates in β ladder)trans-85.7119.6168.8-177.5-59.4000108.7Q757 S758 Q759 S760D755-Q757 PolarHBondContact OD1-N 3.35Å; D755-S758 VanDerWaalsContact CB-OG 3.24Å; D755-S758 WeakPolarHBondContact CB-OG 3.45Å; D755-S758 PolarHBondContact OD1-N 2.87Å; D755-S758 PolarHBondContact OD1-OG 3.29Å; D755-Q759 WeakPolarHBondContact O-CA 3.45Å; D755-Q759 PolarHBondContact O-N 2.9Å; D755-S760 PolarHBondContact N-O 2.88Å; D755-S760 PolarHBondContact O-N 2.88Å
756I75.2Confident64.2Low17 Ų1753.5 Ų53.59%0.08727%0.268CS..THydrogen-bonded Turntrans-75.2-29.5-170.9-74.1175.7000112.3Q674 V683 K684 V686Q674-I756 HydrophobicContact CB-CD1 3.99Å; Q674-I756 VanDerWaalsContact CD-CG2 3.4Å; Q674-I756 HydrophobicContact CG-CD1 3.85Å; Q674-I756 HydrophobicContact CG-CG2 4.33Å; V683-I756 HydrophobicContact CB-CD1 3.39Å; V683-I756 HydrophobicContact CG1-CD1 3.25Å; K684-I756 PolarHBondContact O-N 2.86Å; V686-I756 HydrophobicContact CG2-CD1 4.03Å
757Q63.9Low62.9Low65 Ų6557 Ų5730%0.30429%0.294SS..THydrogen-bonded Turntrans-81.1-47.4-175.6-74.8179.3-11.900111.2H698 D755 Q759 N830H698-Q757 PolarHBondContact CE1-NE2 3.13Å; H698-Q757 PolarHBondContact NE2-NE2 3.38Å; D755-Q757 PolarHBondContact OD1-N 3.35Å; Q757-Q759 PolarHBondContact O-N 3.24Å; Q757-N830 PolarHBondContact NE2-ND2 3.48Å
758S60.3Low61.9Low70 Ų7056.2 Ų56.249%0.4930%0.301SS..THydrogen-bonded Turntrans-75.5-11.7174.659.80000112.9D755 S760D755-S758 VanDerWaalsContact CB-OG 3.24Å; D755-S758 WeakPolarHBondContact CB-OG 3.45Å; D755-S758 PolarHBondContact OD1-N 2.87Å; D755-S758 PolarHBondContact OD1-OG 3.29Å; S758-S760 PolarHBondContact O-N 3.06Å; S758-S760 VanDerWaalsContact O-N 3.11Å; S758-S760 PolarHBondContact OG-N 3.12Å; S758-S760 PolarHBondContact OG-OG 3.35Å
759Q64.4Low61.4Low119 Ų11958 Ų5856%0.55632%0.316SS*.THydrogen-bonded Turntrans50.527.4-168.9-57.9-168.827.300112.9D755 Q757D755-Q759 WeakPolarHBondContact O-CA 3.45Å; D755-Q759 PolarHBondContact O-N 2.9Å; Q757-Q759 PolarHBondContact O-N 3.24Å
760S66.9Low61.2Low54 Ų5453.1 Ų53.138%0.37830%0.3SS..EExtended strand (participates in β ladder)trans-96.2147.1-179.568.80000110.9D755 S758D755-S760 PolarHBondContact N-O 2.88Å; D755-S760 PolarHBondContact O-N 2.88Å; S758-S760 PolarHBondContact O-N 3.06Å; S758-S760 VanDerWaalsContact O-N 3.11Å; S758-S760 PolarHBondContact OG-N 3.12Å; S758-S760 PolarHBondContact OG-OG 3.35Å
761L69.3Low60.9Low14 Ų1451 Ų517%0.07329%0.293CS..EExtended strand (participates in β ladder)trans-107.5131.6169.4-78168.7000108A754 I1014 L1018A754-L761 HydrophobicContact CB-CD2 3.48Å; A754-L761 VanDerWaalsContact CB-CD2 3.48Å; L761-I1014 HydrophobicContact CB-CG2 4.35Å; L761-I1014 HydrophobicContact CD1-CG2 3.27Å; L761-I1014 HydrophobicContact CG-CG2 4.41Å; L761-L1018 HydrophobicContact CD1-CD1 3.48Å; L761-L1018 VanDerWaalsContact CD1-CD1 3.48Å; L761-L1018 HydrophobicContact CD1-CG 4.39Å
762S67.6Low60.5Low39 Ų3952.8 Ų52.827%0.27331%0.305SS..EExtended strand (participates in β ladder)trans-123.7135.7176.958.10000110.6T753T753-S762 PolarHBondContact N-O 3.09Å; T753-S762 PolarHBondContact O-N 3.41Å; T753-S762 PolarHBondContact O-OG 3.03Å
763L60.6Low59.8Low5 Ų554.5 Ų54.53%0.02632%0.316CS..EExtended strand (participates in β ladder)trans-91.1128.5174.5-87.5165.9000110.7Y750 L752 K1007 D1010 E1011 I1014Y750-L763 HydrophobicContact CD2-CD2 4.49Å; Y750-L763 HydrophobicContact CG-CD2 4.49Å; L752-L763 HydrophobicContact CD2-CD2 3.29Å; L752-L763 HydrophobicContact CD2-CG 3.59Å; L752-L763 HydrophobicContact CG-CD2 3.77Å; L763-K1007 HydrophobicContact CB-CD 4.24Å; L763-K1007 HydrophobicContact CB-CG 3.86Å; L763-K1007 HydrophobicContact CD1-CG 4.41Å; L763-K1007 WeakPolarHBondContact O-CE 3.26Å; L763-K1007 PolarHBondContact O-NZ 3.34Å; L763-D1010 HydrophobicContact CD1-CB 3.47Å; L763-D1010 VanDerWaalsContact CD1-CB 3.47Å; L763-E1011 HydrophobicContact CB-CG 4.45Å; L763-E1011 HydrophobicContact CD1-CG 4.01Å; L763-E1011 HydrophobicContact CG-CG 4.33Å; L763-E1011 PolarHBondContact N-OE1 3.32Å; L763-I1014 HydrophobicContact CD1-CD1 4.4Å
764M56.3Low59Low94 Ų9459.3 Ų59.346%0.46334%0.341SS..EExtended strand (participates in β ladder)trans-122.3138.3172.6-76.5-171.4152.300110.7R751R751-M764 HydrophobicContact CB-CB 4.33Å; R751-M764 PolarHBondContact N-O 3.29Å; R751-M764 PolarHBondContact O-N 2.9Å
765D48.7Very low58.5Low39 Ų3968.5 Ų68.521%0.20938%0.376CS..  trans-69.9130.7-178.6-157.7-2.9000110.9V767 C768 A769 W1003D765-V767 PolarHBondContact O-N 3.42Å; D765-C768 HydrophobicContact CB-CB 4.16Å; D765-C768 PolarHBondContact O-N 3.29Å; D765-A769 WeakPolarHBondContact O-CB 3.43Å; D765-A769 PolarHBondContact O-N 3.01Å; D765-W1003 HydrophobicContact CB-CZ2 3.77Å
766S43.3Very low58.4Low66 Ų6667.2 Ų67.246%0.46237%0.369SS..SBendtrans-70.9-18.8-175.558.90000113.6R749R749-S766 WeakPolarHBondContact O-CB 3.39Å; R749-S766 PolarHBondContact O-OG 3.02Å
767V37.4Very low58.5Low134 Ų13467.3 Ų67.381%0.81237%0.37SS*.SBendtrans-100.8-13.9-177.9-175.70000112.3D765D765-V767 PolarHBondContact O-N 3.42Å
768C37.4Very low59Low89 Ų8970 Ų7060%0.60139%0.394SS*.SBendtrans-132.428.4-171.1-1540000114D765D765-C768 HydrophobicContact CB-CB 4.16Å; D765-C768 PolarHBondContact O-N 3.29Å
769A43.4Very low59.9Low47 Ų4771.8 Ų71.839%0.38840%0.398SS..  trans-98.622.6-171.400000116.4D765D765-A769 WeakPolarHBondContact O-CB 3.43Å; D765-A769 PolarHBondContact O-N 3.01Å
770K52.3Low60.9Low105 Ų10570.4 Ų70.446%0.45739%0.387SS..SBendtrans-98.2-37.6175.6-72.5-170.6179.7-178.40114.2
771L58Low61.8Low15 Ų1572.5 Ų72.58%0.07939%0.394CS..  trans-145118.8-171.3-66.5165.8000109.8L776 I936 D981 L982 M985L771-L776 HydrophobicContact CD2-CD2 4.19Å; L771-I936 HydrophobicContact CD2-CB 3.61Å; L771-I936 HydrophobicContact CD2-CD1 3.67Å; L771-I936 HydrophobicContact CD2-CG1 3.79Å; L771-I936 HydrophobicContact CD2-CG2 4.45Å; L771-D981 HydrophobicContact CD1-CB 4.4Å; L771-L982 HydrophobicContact CD1-CB 3.9Å; L771-M985 HydrophobicContact CB-CE 3.33Å; L771-M985 HydrophobicContact CB-SD 4.3Å; L771-M985 HydrophobicContact CD1-CE 3.14Å; L771-M985 HydrophobicContact CG-CE 3.78Å
772D60.2Low62.7Low67 Ų6773.3 Ų73.336%0.35840%0.397SS..  trans-85.4115.8173.8-178.42.2000108.2D774 R775 L776D772-D774 PolarHBondContact O-N 3.32Å; D772-D774 PolarHBondContact OD1-N 3.09Å; D772-R775 HydrophobicContact CB-CB 4.18Å; D772-R775 HydrophobicContact CB-CG 4.02Å; D772-R775 PolarHBondContact O-N 2.98Å; D772-R775 WeakPolarHBondContact OD2-CD 3.14Å; D772-R775 WeakPolarHBondContact OD2-CG 3.27Å; D772-R775 IonicContact OD2-NE 3.92Å; D772-R775 PolarHBondContact OD2-NE 2.86Å; D772-L776 PolarHBondContact O-N 3.2Å
773P62.5Low63.7Low38 Ų3874.3 Ų74.325%0.24740%0.401CS..G310 helixtrans-57.9-31.5-178.127.9-40.2000112.3R775 L776 Y994P773-R775 PolarHBondContact O-N 3.32Å; P773-L776 PolarHBondContact O-N 3.47Å; P773-Y994 HydrophobicContact CB-CE1 4.22Å; P773-Y994 HydrophobicContact CG-CE1 4.5Å; P773-Y994 VanDerWaalsContact CG-OH 3.28Å; P773-Y994 WeakPolarHBondContact CG-OH 3.32Å
774D61.3Low65.1Low119 Ų11974 Ų7464%0.63640%0.4SS*.G310 helixtrans-72.3-12.1-179.7-65.2-28.8000112D772 R1004D772-D774 PolarHBondContact O-N 3.32Å; D772-D774 PolarHBondContact OD1-N 3.09Å; D774-R1004 IonicContact OD2-NH2 3.46Å; D774-R1004 PolarHBondContact OD2-NH2 3.46Å; D774-R1004 VanDerWaalsContact OD2-NH2 3.1Å
775R64.9Low66.6Low192 Ų19271.4 Ų71.473%0.72539%0.388SS*.G310 helixtrans-109.7-0.6180-61.9-177.1-173.4-156.5-7.6113.9D772 P773D772-R775 HydrophobicContact CB-CB 4.18Å; D772-R775 HydrophobicContact CB-CG 4.02Å; D772-R775 PolarHBondContact O-N 2.98Å; D772-R775 WeakPolarHBondContact OD2-CD 3.14Å; D772-R775 WeakPolarHBondContact OD2-CG 3.27Å; D772-R775 IonicContact OD2-NE 3.92Å; D772-R775 PolarHBondContact OD2-NE 2.86Å; P773-R775 PolarHBondContact O-N 3.32Å
776L73.4Confident68.5Low24 Ų2470.6 Ų70.613%0.12638%0.383CS..SBendtrans-80.5143.9178.4-72.4174.9000111.1L771 D772 P773 I936 M985L771-L776 HydrophobicContact CD2-CD2 4.19Å; D772-L776 PolarHBondContact O-N 3.2Å; P773-L776 PolarHBondContact O-N 3.47Å; L776-I936 HydrophobicContact CD2-CD1 3.63Å; L776-M985 HydrophobicContact CD1-CE 4.45Å
777P76.5Confident70.6Confident18 Ų1870 Ų7012%0.11738%0.376CS..  trans-58.6144.3167.9-22.133.4000110.6N779 F782 L933 M941 Y986P777-N779 PolarHBondContact O-N 3.43Å; P777-F782 HydrophobicContact CB-CD1 3.94Å; P777-F782 HydrophobicContact CB-CE1 3.74Å; P777-F782 HydrophobicContact CB-CZ 4.21Å; P777-F782 HydrophobicContact CG-CD1 4.36Å; P777-F782 HydrophobicContact CG-CE1 3.65Å; P777-F782 HydrophobicContact CG-CZ 3.79Å; P777-L933 HydrophobicContact CG-CD2 4.17Å; P777-M941 HydrophobicContact CG-CE 4.07Å; P777-M941 HydrophobicContact CG-SD 4.42Å; P777-Y986 WeakPolarHBondContact O-CE1 3.45Å; P777-Y986 PolarHBondContact O-OH 3.41Å
778P74.4Confident72.9Confident122 Ų12265.8 Ų65.879%0.79235%0.348SS*.SBendtrans-62.1-32.5-178.323.4-32.8000112.8
779N80Confident75.2Confident107 Ų10762.8 Ų62.857%0.57233%0.327SS*.SBendtrans-125.4148.4174.6-68.9-31.5000109.8P777 L781 F782P777-N779 PolarHBondContact O-N 3.43Å; N779-L781 VanDerWaalsContact C-N 3.26Å; N779-L781 WeakPolarHBondContact CB-O 3.34Å; N779-L781 PolarHBondContact O-N 3.26Å; N779-F782 WeakPolarHBondContact O-CD1 3.41Å
780R83.6Confident77.1Confident90 Ų9062.2 Ų62.234%0.3432%0.317SS..SBendtrans-63.5-31.4174-172.8-179.9153.6-156.4-11112.9S932 L933R780-S932 WeakPolarHBondContact O-CA 3.36Å; R780-L933 WeakPolarHBondContact CD-O 3.39Å; R780-L933 HydrophobicContact CG-CB 4.1Å; R780-L933 WeakPolarHBondContact CG-O 3.42Å; R780-L933 PolarHBondContact NE-O 3Å; R780-L933 PolarHBondContact O-N 2.82Å
781L87.1Confident78.6Confident99 Ų9958.9 Ų58.952%0.51830%0.304SS..EExtended strand (participates in β ladder)trans-102.2123174-88.6138.4000110.2N779 I930 V931 L946N779-L781 VanDerWaalsContact C-N 3.26Å; N779-L781 WeakPolarHBondContact CB-O 3.34Å; N779-L781 PolarHBondContact O-N 3.26Å; L781-I930 HydrophobicContact CD2-CG2 3.76Å; L781-V931 WeakPolarHBondContact CA-O 3.43Å; L781-L946 HydrophobicContact CD2-CD1 4.46Å
782F88.4Confident80Confident30 Ų3058.3 Ų58.313%0.13230%0.301CS..EExtended strand (participates in β ladder)trans-152.1166.7178.557.5-81.1000111.3P777 N779 V784 F894 V931 L933 M941P777-F782 HydrophobicContact CB-CD1 3.94Å; P777-F782 HydrophobicContact CB-CE1 3.74Å; P777-F782 HydrophobicContact CB-CZ 4.21Å; P777-F782 HydrophobicContact CG-CD1 4.36Å; P777-F782 HydrophobicContact CG-CE1 3.65Å; P777-F782 HydrophobicContact CG-CZ 3.79Å; N779-F782 WeakPolarHBondContact O-CD1 3.41Å; F782-V784 HydrophobicContact CD2-CG2 3.59Å; F782-V784 HydrophobicContact CE2-CG2 3.36Å; F782-V784 HydrophobicContact CZ-CG2 4.47Å; F782-F894 HydrophobicContact CE2-CE1 4.18Å; F782-F894 HydrophobicContact CE2-CZ 4.22Å; F782-F894 HydrophobicContact CZ-CE1 4.07Å; F782-V931 HydrophobicContact CD1-CG2 4.15Å; F782-V931 HydrophobicContact CD2-CG2 3.69Å; F782-V931 HydrophobicContact CE1-CG2 3.95Å; F782-V931 HydrophobicContact CE2-CG2 3.47Å; F782-V931 VanDerWaalsContact CE2-CG2 3.47Å; F782-V931 HydrophobicContact CG-CG2 4.03Å; F782-V931 HydrophobicContact CZ-CG2 3.61Å; F782-V931 PolarHBondContact N-O 2.77Å; F782-V931 WeakPolarHBondContact O-CG2 3.28Å; F782-V931 PolarHBondContact O-N 3.38Å; F782-L933 HydrophobicContact CE1-CB 4.3Å; F782-M941 HydrophobicContact CZ-SD 4.44Å
783V88.3Confident81.2Confident60 Ų6055.1 Ų55.136%0.36428%0.284SS..EExtended strand (participates in β ladder)trans-99135-178.9-172.30000109.1P799 A800 V929 I930V783-P799 WeakPolarHBondContact O-CA 3.48Å; V783-A800 HydrophobicContact CB-CB 4.27Å; V783-A800 HydrophobicContact CG1-CB 3.93Å; V783-A800 PolarHBondContact O-N 2.77Å; V783-V929 CarbonylContact C-O 3.59Å; V783-V929 WeakPolarHBondContact CA-O 3.44Å; V783-I930 HydrophobicContact CG2-CG1 4.44Å
784V89.3Confident82.5Confident0 Ų054.1 Ų54.10%028%0.276CS..EExtended strand (participates in β ladder)trans-124.6139.3-179.8171.10000110.2F782 F798 F894 V929 V931F782-V784 HydrophobicContact CD2-CG2 3.59Å; F782-V784 HydrophobicContact CE2-CG2 3.36Å; F782-V784 HydrophobicContact CZ-CG2 4.47Å; V784-F798 WeakPolarHBondContact CA-O 3.38Å; V784-F894 HydrophobicContact CG1-CD2 4.44Å; V784-F894 HydrophobicContact CG1-CE2 3.9Å; V784-F894 HydrophobicContact CG1-CZ 4.23Å; V784-F894 HydrophobicContact CG2-CE1 4.32Å; V784-F894 HydrophobicContact CG2-CE2 4.36Å; V784-F894 HydrophobicContact CG2-CZ 3.84Å; V784-V929 PolarHBondContact N-O 2.89Å; V784-V929 WeakPolarHBondContact O-CG2 3.44Å; V784-V929 PolarHBondContact O-N 3.29Å; V784-V931 HydrophobicContact CB-CG1 4.25Å; V784-V931 HydrophobicContact CB-CG2 4.29Å; V784-V931 HydrophobicContact CG2-CG1 4.27Å; V784-V931 HydrophobicContact CG2-CG2 3.49Å; V784-V931 VanDerWaalsContact CG2-CG2 3.49Å
785N88.1Confident83.9Confident39 Ų3948.4 Ų48.421%0.20925%0.246CC..EExtended strand (participates in β ladder)trans-92.8119.5165.4-76.6-18.5000109.1G797 F798 A800 S928N785-G797 WeakPolarHBondContact O-CA 3.37Å; N785-F798 HydrophobicContact CB-CE1 4.08Å; N785-F798 HydrophobicContact CB-CE2 4.27Å; N785-F798 HydrophobicContact CB-CZ 3.94Å; N785-F798 PolarHBondContact N-O 3.49Å; N785-F798 PolarHBondContact O-N 2.69Å; N785-F798 VanDerWaalsContact O-N 3.12Å; N785-A800 HydrophobicContact CB-CB 4.48Å; N785-S928 WeakPolarHBondContact OD1-CB 3.45Å; N785-S928 PolarHBondContact OD1-OG 2.95Å
786I88.1Confident85.1Confident22 Ų2241.3 Ų41.311%0.11322%0.219CC..EExtended strand (participates in β ladder)trans-83.3125.3177.4-62.4178.8000108.7V789 F795 V924 V929 L945I786-V789 HydrophobicContact CG2-CG2 4Å; I786-F795 HydrophobicContact CB-CD2 4.25Å; I786-F795 HydrophobicContact CD1-CD1 4.48Å; I786-F795 HydrophobicContact CD1-CD2 3.7Å; I786-F795 HydrophobicContact CD1-CE1 4.38Å; I786-F795 HydrophobicContact CD1-CE2 3.54Å; I786-F795 HydrophobicContact CD1-CG 4.17Å; I786-F795 HydrophobicContact CD1-CZ 3.91Å; I786-F795 HydrophobicContact CG1-CD2 3.56Å; I786-F795 HydrophobicContact CG1-CE2 3.56Å; I786-F795 HydrophobicContact CG1-CG 4.38Å; I786-F795 HydrophobicContact CG1-CZ 4.41Å; I786-F795 HydrophobicContact CG2-CB 4.01Å; I786-F795 HydrophobicContact CG2-CD2 3.86Å; I786-F795 HydrophobicContact CG2-CG 4.12Å; I786-V924 HydrophobicContact CD1-CB 3.67Å; I786-V924 HydrophobicContact CD1-CG1 3.81Å; I786-V924 HydrophobicContact CD1-CG2 4.3Å; I786-V924 HydrophobicContact CG2-CG2 4.31Å; I786-V929 HydrophobicContact CD1-CG1 4.48Å; I786-V929 HydrophobicContact CD1-CG2 3.6Å; I786-V929 HydrophobicContact CG1-CG2 3.87Å; I786-L945 HydrophobicContact CD1-CD2 4.48Å
787T86.8Confident85.8Confident52 Ų5240.1 Ų40.132%0.31921%0.213SC..EExtended strand (participates in β ladder)trans-108-44.6-175.448.90000112.4W796 F798 F866T787-W796 PolarHBondContact N-O 3.32Å; T787-W796 PolarHBondContact OG1-O 3.04Å; T787-F798 HydrophobicContact CG2-CD1 3.72Å; T787-F798 HydrophobicContact CG2-CE1 3.46Å; T787-F798 VanDerWaalsContact CG2-CE1 3.46Å; T787-F866 WeakPolarHBondContact CB-O 3.39Å; T787-F866 WeakPolarHBondContact CG2-O 3.38Å; T787-F866 PolarHBondContact OG1-O 3.07Å
788E86.7Confident86.4Confident46 Ų4640.1 Ų40.122%0.21521%0.211CC..EExtended strand (participates in β ladder)trans-134.3126.7179.9-173.9170.5155.100111.2F795 W796 N868 T869E788-F795 CarbonylContact O-C 3.6Å; E788-F795 VanDerWaalsContact O-CA 3.24Å; E788-F795 WeakPolarHBondContact O-CA 3.28Å; E788-F795 VanDerWaalsContact O-CB 3.28Å; E788-F795 WeakPolarHBondContact O-CB 3.49Å; E788-W796 HydrophobicContact CB-CB 4.45Å; E788-W796 PolarHBondContact O-N 3.36Å; E788-N868 HydrophobicContact CB-CB 4.45Å; E788-N868 VanDerWaalsContact OE2-C 3.26Å; E788-N868 WeakPolarHBondContact OE2-CA 3.49Å; E788-T869 PolarHBondContact OE1-OG1 3.15Å; E788-T869 WeakPolarHBondContact OE2-CG2 3.28Å; E788-T869 PolarHBondContact OE2-N 3.33Å; E788-T869 PolarHBondContact OE2-OG1 2.96Å
789V86.6Confident86.9Confident26 Ų2635.2 Ų35.216%0.15818%0.179CC..EExtended strand (participates in β ladder)trans-96.5111.6174.9177.90000109.2I786 D791 F795 R917 F920 V921 V924I786-V789 HydrophobicContact CG2-CG2 4Å; V789-D791 WeakPolarHBondContact CG1-O 3.31Å; V789-F795 HydrophobicContact CG2-CB 4.4Å; V789-R917 PolarHBondContact O-NH2 2.92Å; V789-F920 HydrophobicContact CG1-CD1 3.86Å; V789-F920 HydrophobicContact CG1-CE1 3.88Å; V789-F920 HydrophobicContact CG2-CE1 4.26Å; V789-V921 HydrophobicContact CB-CG2 4.17Å; V789-V921 HydrophobicContact CG1-CG2 3.95Å; V789-V921 HydrophobicContact CG2-CG2 4.31Å; V789-V924 HydrophobicContact CG2-CG2 3.81Å
790I82.9Confident87.1Confident36 Ų3631 Ų3119%0.18516%0.159CC..EExtended strand (participates in β ladder)trans-75.3-51.8177-61.5166.9000109.5H794 W796 R917I790-H794 WeakPolarHBondContact CA-O 3.23Å; I790-H794 WeakPolarHBondContact CB-O 3.34Å; I790-H794 WeakPolarHBondContact CD1-NE2 3.42Å; I790-H794 PolarHBondContact N-O 2.81Å; I790-W796 VanDerWaalsContact CD1-NE1 3.34Å; I790-R917 PolarHBondContact O-NH1 3.03Å; I790-R917 PolarHBondContact O-NH2 3.49Å
791D83.5Confident87Confident34 Ų3430 Ų3018%0.18216%0.161CC..EExtended strand (participates in β ladder)trans-151.9177.3-179.9-156.80.5000110.3V789 G793 H794V789-D791 WeakPolarHBondContact CG1-O 3.31Å; D791-G793 PolarHBondContact O-N 3.36Å; D791-H794 HydrophobicContact CB-CB 4.21Å; D791-H794 PolarHBondContact N-O 3.14Å; D791-H794 PolarHBondContact O-N 3.25Å
792V86.4Confident86.7Confident4 Ų433.6 Ų33.62%0.02418%0.175CC..THydrogen-bonded Turntrans-58117.4175.9178.40000109.6H794 M899 W912 A916 R917 F920 L960V792-H794 PolarHBondContact O-N 3.18Å; V792-M899 HydrophobicContact CG1-CE 4.22Å; V792-M899 WeakPolarHBondContact O-CE 3.44Å; V792-W912 HydrophobicContact CB-CB 4.27Å; V792-W912 HydrophobicContact CB-CD2 3.55Å; V792-W912 HydrophobicContact CB-CE3 4.03Å; V792-W912 HydrophobicContact CB-CG 3.64Å; V792-W912 HydrophobicContact CB-CZ2 4.34Å; V792-W912 HydrophobicContact CG1-CD2 3.89Å; V792-W912 HydrophobicContact CG1-CE3 3.9Å; V792-W912 HydrophobicContact CG1-CG 4.49Å; V792-W912 HydrophobicContact CG1-CH2 4.13Å; V792-W912 HydrophobicContact CG1-CZ2 4.12Å; V792-W912 HydrophobicContact CG1-CZ3 4Å; V792-W912 HydrophobicContact CG2-CB 3.74Å; V792-W912 HydrophobicContact CG2-CD2 3.87Å; V792-W912 HydrophobicContact CG2-CE3 4.17Å; V792-W912 HydrophobicContact CG2-CG 3.68Å; V792-A916 HydrophobicContact CG2-CB 4.1Å; V792-R917 HydrophobicContact CG2-CB 4.08Å; V792-F920 HydrophobicContact CG1-CB 4.19Å; V792-F920 HydrophobicContact CG1-CD2 4.39Å; V792-F920 HydrophobicContact CG1-CG 4.29Å; V792-F920 HydrophobicContact CG2-CB 4.43Å; V792-L960 HydrophobicContact CG1-CD1 3.92Å
793G86.9Confident86.3Confident0 Ų035 Ų350%019%0.192CC..THydrogen-bonded Turntrans63.219.3-175.500000115.5D791 Q895 V896D791-G793 PolarHBondContact O-N 3.36Å; G793-Q895 CarbonylContact O-C 3.58Å; G793-Q895 WeakPolarHBondContact O-CA 3.22Å; G793-V896 PolarHBondContact O-N 3.38Å
794H89.7Confident86Confident16 Ų1632.8 Ų32.87%0.07418%0.179CC..EExtended strand (participates in β ladder)trans-126.1115.5168.7-176.7-167.2000109I790 D791 V792 E893 F894I790-H794 WeakPolarHBondContact CA-O 3.23Å; I790-H794 WeakPolarHBondContact CB-O 3.34Å; I790-H794 WeakPolarHBondContact CD1-NE2 3.42Å; I790-H794 PolarHBondContact N-O 2.81Å; D791-H794 HydrophobicContact CB-CB 4.21Å; D791-H794 PolarHBondContact N-O 3.14Å; D791-H794 PolarHBondContact O-N 3.25Å; V792-H794 PolarHBondContact O-N 3.18Å; H794-E893 IonicContact CD2-OE1 3.65Å; H794-E893 IonicContact CE1-OE1 3.36Å; H794-E893 PolarHBondContact CE1-OE1 3.28Å; H794-E893 VanDerWaalsContact CE1-OE1 3.29Å; H794-E893 IonicContact NE2-OE1 3.52Å; H794-E893 PolarHBondContact NE2-OE1 3.4Å; H794-F894 WeakPolarHBondContact CA-O 3.5Å; H794-F894 PolarHBondContact CD2-O 3.27Å
795F90.6Very high85.6Confident0 Ų035.2 Ų35.20%019%0.192CC..EExtended strand (participates in β ladder)trans-153.3160.4-170.358.4-85.6000112I786 E788 V789 F894 V896 F920 V943 L945I786-F795 HydrophobicContact CB-CD2 4.25Å; I786-F795 HydrophobicContact CD1-CD1 4.48Å; I786-F795 HydrophobicContact CD1-CD2 3.7Å; I786-F795 HydrophobicContact CD1-CE1 4.38Å; I786-F795 HydrophobicContact CD1-CE2 3.54Å; I786-F795 HydrophobicContact CD1-CG 4.17Å; I786-F795 HydrophobicContact CD1-CZ 3.91Å; I786-F795 HydrophobicContact CG1-CD2 3.56Å; I786-F795 HydrophobicContact CG1-CE2 3.56Å; I786-F795 HydrophobicContact CG1-CG 4.38Å; I786-F795 HydrophobicContact CG1-CZ 4.41Å; I786-F795 HydrophobicContact CG2-CB 4.01Å; I786-F795 HydrophobicContact CG2-CD2 3.86Å; I786-F795 HydrophobicContact CG2-CG 4.12Å; E788-F795 CarbonylContact O-C 3.6Å; E788-F795 VanDerWaalsContact O-CA 3.24Å; E788-F795 WeakPolarHBondContact O-CA 3.28Å; E788-F795 VanDerWaalsContact O-CB 3.28Å; E788-F795 WeakPolarHBondContact O-CB 3.49Å; V789-F795 HydrophobicContact CG2-CB 4.4Å; F795-F894 HydrophobicContact CD1-CB 4.41Å; F795-F894 HydrophobicContact CD2-CB 3.91Å; F795-F894 HydrophobicContact CD2-CD2 4.19Å; F795-F894 HydrophobicContact CD2-CG 4.41Å; F795-F894 HydrophobicContact CE1-CB 3.95Å; F795-F894 HydrophobicContact CE2-CB 3.42Å; F795-F894 VanDerWaalsContact CE2-CB 3.42Å; F795-F894 AromaticContact CE2-CD2 3.81Å; F795-F894 HydrophobicContact CE2-CD2 3.81Å; F795-F894 AromaticContact CE2-CG 3.77Å; F795-F894 HydrophobicContact CE2-CG 3.77Å; F795-F894 HydrophobicContact CG-CB 4.38Å; F795-F894 HydrophobicContact CZ-CB 3.44Å; F795-F894 VanDerWaalsContact CZ-CB 3.44Å; F795-F894 HydrophobicContact CZ-CG 4.1Å; F795-F894 PolarHBondContact N-O 2.82Å; F795-F894 PolarHBondContact O-N 3.38Å; F795-V896 HydrophobicContact CE1-CG2 4.29Å; F795-F920 HydrophobicContact CD1-CE1 4.33Å; F795-F920 AromaticContact CD1-CZ 3.95Å; F795-F920 HydrophobicContact CD1-CZ 3.95Å; F795-F920 HydrophobicContact CE1-CZ 4.24Å; F795-V943 HydrophobicContact CZ-CG2 4.35Å; F795-L945 HydrophobicContact CD1-CD1 4.41Å; F795-L945 HydrophobicContact CE1-CD1 3.29Å; F795-L945 HydrophobicContact CZ-CD1 3.45Å; F795-L945 VanDerWaalsContact CZ-CD1 3.45Å; F795-L945 HydrophobicContact CZ-CG 4.25Å
796W89.8Confident85.4Confident42 Ų4236.7 Ų36.716%0.15920%0.198CC..EExtended strand (participates in β ladder)trans-96.5144.9166.4-71.694000110.1T787 E788 I790 F862 G867 A891 E893T787-W796 PolarHBondContact N-O 3.32Å; T787-W796 PolarHBondContact OG1-O 3.04Å; E788-W796 HydrophobicContact CB-CB 4.45Å; E788-W796 PolarHBondContact O-N 3.36Å; I790-W796 VanDerWaalsContact CD1-NE1 3.34Å; W796-F862 AromaticContact CD2-CE2 3.93Å; W796-F862 HydrophobicContact CD2-CE2 3.93Å; W796-F862 AromaticContact CD2-CZ 3.58Å; W796-F862 HydrophobicContact CD2-CZ 3.58Å; W796-F862 AromaticContact CE2-CE2 3.71Å; W796-F862 AromaticContact CE2-CZ 3.55Å; W796-F862 AromaticContact CE3-CZ 3.74Å; W796-F862 HydrophobicContact CE3-CZ 3.74Å; W796-F862 HydrophobicContact CG-CE2 4.14Å; W796-F862 HydrophobicContact CG-CZ 4.2Å; W796-F862 HydrophobicContact CH2-CE1 4.47Å; W796-F862 AromaticContact CH2-CZ 3.88Å; W796-F862 HydrophobicContact CH2-CZ 3.88Å; W796-F862 HydrophobicContact CZ2-CE2 4.17Å; W796-F862 AromaticContact CZ2-CZ 3.73Å; W796-F862 HydrophobicContact CZ2-CZ 3.73Å; W796-F862 HydrophobicContact CZ3-CE1 4.5Å; W796-F862 AromaticContact CZ3-CZ 3.87Å; W796-F862 HydrophobicContact CZ3-CZ 3.87Å; W796-F862 AromaticContact NE1-CE2 3.74Å; W796-G867 WeakPolarHBondContact CB-O 3.49Å; W796-A891 HydrophobicContact CE3-CB 4.12Å; W796-A891 HydrophobicContact CZ3-CB 4.48Å; W796-E893 HydrophobicContact CD2-CB 4.22Å; W796-E893 HydrophobicContact CD2-CG 4.38Å; W796-E893 HydrophobicContact CE3-CB 4.04Å; W796-E893 HydrophobicContact CH2-CB 3.66Å; W796-E893 HydrophobicContact CH2-CG 4.24Å; W796-E893 HydrophobicContact CZ2-CB 3.84Å; W796-E893 HydrophobicContact CZ2-CG 3.88Å; W796-E893 HydrophobicContact CZ3-CB 3.78Å
797G89.1Confident85.1Confident0 Ų041.7 Ų41.70%022%0.218CC..EExtended strand (participates in β ladder)trans-160.2175.7172.700000111.5N785 H892N785-G797 WeakPolarHBondContact O-CA 3.37Å; G797-H892 PolarHBondContact N-O 3.02Å; G797-H892 VanDerWaalsContact N-O 3.08Å; G797-H892 PolarHBondContact O-N 3.16Å
798F87.2Confident84.8Confident18 Ų1839.9 Ų39.98%0.07921%0.206CC..EExtended strand (participates in β ladder)trans-136.6153.2174.863.6-88.7000110.4V784 N785 T787 A800 L805 Q808 F866V784-F798 WeakPolarHBondContact CA-O 3.38Å; N785-F798 HydrophobicContact CB-CE1 4.08Å; N785-F798 HydrophobicContact CB-CE2 4.27Å; N785-F798 HydrophobicContact CB-CZ 3.94Å; N785-F798 PolarHBondContact N-O 3.49Å; N785-F798 PolarHBondContact O-N 2.69Å; N785-F798 VanDerWaalsContact O-N 3.12Å; T787-F798 HydrophobicContact CG2-CD1 3.72Å; T787-F798 HydrophobicContact CG2-CE1 3.46Å; T787-F798 VanDerWaalsContact CG2-CE1 3.46Å; F798-A800 PolarHBondContact O-N 3.34Å; F798-L805 HydrophobicContact CE2-CD2 3.93Å; F798-Q808 VanDerWaalsContact CE2-OE1 3.3Å; F798-F866 HydrophobicContact CE1-CD1 4.33Å
799P86.3Confident84.7Confident19 Ų1945.8 Ų45.812%0.12323%0.227CC..EExtended strand (participates in β ladder)trans-59.2132.9178.8-23.434.7000111.9V783 D801V783-P799 WeakPolarHBondContact O-CA 3.48Å; P799-D801 VanDerWaalsContact CB-OD1 3.25Å; P799-D801 WeakPolarHBondContact CB-OD1 3.43Å
800A84Confident84.7Confident19 Ų1951.8 Ų51.816%0.15725%0.247CC..  trans-96.114.1-177.300000113.2V783 N785 F798V783-A800 HydrophobicContact CB-CB 4.27Å; V783-A800 HydrophobicContact CG1-CB 3.93Å; V783-A800 PolarHBondContact O-N 2.77Å; N785-A800 HydrophobicContact CB-CB 4.48Å; F798-A800 PolarHBondContact O-N 3.34Å
801D82.2Confident84.8Confident68 Ų6850.5 Ų50.536%0.36424%0.24SC..SBendtrans-70.2152175.367.2-83.1000111.6P799 A803 S804 L805P799-D801 VanDerWaalsContact CB-OD1 3.25Å; P799-D801 WeakPolarHBondContact CB-OD1 3.43Å; D801-A803 PolarHBondContact O-N 3.13Å; D801-A803 WeakPolarHBondContact OD2-CB 3.11Å; D801-A803 PolarHBondContact OD2-N 2.93Å; D801-S804 PolarHBondContact O-N 3.48Å; D801-S804 VanDerWaalsContact O-N 3.17Å; D801-S804 WeakPolarHBondContact OD1-CB 3.4Å; D801-S804 PolarHBondContact OD1-OG 3.49Å; D801-S804 PolarHBondContact OD2-N 3.12Å; D801-S804 PolarHBondContact OD2-OG 3.06Å; D801-S804 VanDerWaalsContact OD2-OG 3.07Å; D801-L805 PolarHBondContact O-N 2.92Å
802E80.5Confident84.9Confident174 Ų17450 Ų5081%0.81324%0.238SC*.Hα-helixtrans-59.6-33.3-175-170.1171.2-165.900112.5E806E802-E806 VanDerWaalsContact O-CB 3.28Å; E802-E806 WeakPolarHBondContact O-CB 3.5Å; E802-E806 PolarHBondContact O-N 2.93Å
803A79.9Confident84.9Confident59 Ų5951.7 Ų51.749%0.48825%0.253SS..Hα-helixtrans-71.2-40.5178.500000112.2D801 K807D801-A803 PolarHBondContact O-N 3.13Å; D801-A803 WeakPolarHBondContact OD2-CB 3.11Å; D801-A803 PolarHBondContact OD2-N 2.93Å; A803-K807 WeakPolarHBondContact O-CG 3.17Å; A803-K807 PolarHBondContact O-N 3.41Å
804S80.9Confident84.9Confident15 Ų1556.2 Ų56.211%0.10527%0.274CS..Hα-helixtrans-67.4-42.3175.5-63.10000112.1D801 E806 K807 Q808D801-S804 PolarHBondContact O-N 3.48Å; D801-S804 VanDerWaalsContact O-N 3.17Å; D801-S804 WeakPolarHBondContact OD1-CB 3.4Å; D801-S804 PolarHBondContact OD1-OG 3.49Å; D801-S804 PolarHBondContact OD2-N 3.12Å; D801-S804 PolarHBondContact OD2-OG 3.06Å; D801-S804 VanDerWaalsContact OD2-OG 3.07Å; S804-E806 VanDerWaalsContact C-N 3.35Å; S804-E806 PolarHBondContact O-N 3.45Å; S804-K807 WeakPolarHBondContact O-CB 3.24Å; S804-K807 PolarHBondContact O-N 3.04Å; S804-Q808 WeakPolarHBondContact O-CB 3.34Å; S804-Q808 PolarHBondContact O-N 2.95Å
805L82Confident84.8Confident51 Ų5155.6 Ų55.627%0.26727%0.271SS..Hα-helixtrans-62.6-40.7174.7-73170000112F798 D801 Q808 R809F798-L805 HydrophobicContact CE2-CD2 3.93Å; D801-L805 PolarHBondContact O-N 2.92Å; L805-Q808 PolarHBondContact O-N 3.27Å; L805-R809 WeakPolarHBondContact O-CG 3.11Å; L805-R809 PolarHBondContact O-N 2.85Å
806E83.8Confident84.6Confident70 Ų7058 Ų5833%0.32728%0.284SS..Hα-helixtrans-66.7-40.8176.3-179.459.6-163.400111.9E802 S804 Q808 R809 R810E802-E806 VanDerWaalsContact O-CB 3.28Å; E802-E806 WeakPolarHBondContact O-CB 3.5Å; E802-E806 PolarHBondContact O-N 2.93Å; S804-E806 VanDerWaalsContact C-N 3.35Å; S804-E806 PolarHBondContact O-N 3.45Å; E806-Q808 VanDerWaalsContact C-N 3.3Å; E806-Q808 PolarHBondContact O-N 2.91Å; E806-R809 PolarHBondContact O-N 3.09Å; E806-R810 VanDerWaalsContact O-CG 3.31Å; E806-R810 WeakPolarHBondContact O-CG 3.32Å; E806-R810 PolarHBondContact O-N 3.25Å; E806-R810 IonicContact OE1-CZ 2.73Å; E806-R810 IonicContact OE1-NE 3.67Å; E806-R810 PolarHBondContact OE1-NE 2.92Å; E806-R810 IonicContact OE1-NH2 2.77Å; E806-R810 PolarHBondContact OE1-NH2 3.25Å; E806-R810 VanDerWaalsContact OE1-NH2 3.07Å
807K81.4Confident84.4Confident126 Ų12664.3 Ų64.355%0.54831%0.312SS..Hα-helixtrans-57.7-43.9172.1-76.4173.2-174.7173.70111.5A803 S804 R810 L811A803-K807 WeakPolarHBondContact O-CG 3.17Å; A803-K807 PolarHBondContact O-N 3.41Å; S804-K807 WeakPolarHBondContact O-CB 3.24Å; S804-K807 PolarHBondContact O-N 3.04Å; K807-R810 PolarHBondContact O-N 2.95Å; K807-L811 WeakPolarHBondContact O-CB 3.42Å; K807-L811 PolarHBondContact O-N 3.18Å
808Q81.3Confident84Confident14 Ų1467.2 Ų67.27%0.06533%0.332CS..Hα-helixtrans-66.8-42.1179.9-169.9176.115.600112.4F798 S804 L805 E806 L811 T812 F866F798-Q808 VanDerWaalsContact CE2-OE1 3.3Å; S804-Q808 WeakPolarHBondContact O-CB 3.34Å; S804-Q808 PolarHBondContact O-N 2.95Å; L805-Q808 PolarHBondContact O-N 3.27Å; E806-Q808 VanDerWaalsContact C-N 3.3Å; E806-Q808 PolarHBondContact O-N 2.91Å; Q808-L811 PolarHBondContact O-N 3.41Å; Q808-T812 WeakPolarHBondContact O-CB 3.39Å; Q808-T812 PolarHBondContact O-N 3.07Å; Q808-T812 PolarHBondContact O-OG1 3.19Å; Q808-F866 HydrophobicContact CG-CZ 4.11Å
809R83.9Confident83.7Confident171 Ų17173.4 Ų73.465%0.64537%0.371SS*.Hα-helixtrans-60.9-44.7174.2-74.1176-173.51652.5111.7L805 E806 T812 A813L805-R809 WeakPolarHBondContact O-CG 3.11Å; L805-R809 PolarHBondContact O-N 2.85Å; E806-R809 PolarHBondContact O-N 3.09Å; R809-T812 PolarHBondContact O-N 3.32Å; R809-A813 WeakPolarHBondContact O-CB 3.46Å; R809-A813 PolarHBondContact O-N 3.5Å
810R85.8Confident83.7Confident152 Ų15274.4 Ų74.457%0.57438%0.376SS*.Hα-helixtrans-61.6-49176.2-72.5177.7-171.2-174.15111.7E806 K807 T812 A813 E814E806-R810 VanDerWaalsContact O-CG 3.31Å; E806-R810 WeakPolarHBondContact O-CG 3.32Å; E806-R810 PolarHBondContact O-N 3.25Å; E806-R810 IonicContact OE1-CZ 2.73Å; E806-R810 IonicContact OE1-NE 3.67Å; E806-R810 PolarHBondContact OE1-NE 2.92Å; E806-R810 IonicContact OE1-NH2 2.77Å; E806-R810 PolarHBondContact OE1-NH2 3.25Å; E806-R810 VanDerWaalsContact OE1-NH2 3.07Å; K807-R810 PolarHBondContact O-N 2.95Å; R810-T812 VanDerWaalsContact C-N 3.33Å; R810-T812 PolarHBondContact O-N 3.33Å; R810-A813 PolarHBondContact O-N 2.87Å; R810-E814 WeakPolarHBondContact O-CG 3.47Å; R810-E814 PolarHBondContact O-N 3.45Å
811L85.8Confident83.7Confident9 Ų976 Ų765%0.04739%0.385CS..Hα-helixtrans-58.4-45.2177.8176.761.9000111.7K807 Q808 A813 E814 I815 L884K807-L811 WeakPolarHBondContact O-CB 3.42Å; K807-L811 PolarHBondContact O-N 3.18Å; Q808-L811 PolarHBondContact O-N 3.41Å; L811-A813 VanDerWaalsContact C-N 3.33Å; L811-A813 PolarHBondContact O-N 3.11Å; L811-E814 PolarHBondContact O-N 3.48Å; L811-I815 HydrophobicContact CD1-CD1 3.98Å; L811-I815 HydrophobicContact CD1-CG1 4.28Å; L811-I815 HydrophobicContact CG-CD1 3.91Å; L811-I815 VanDerWaalsContact O-CG1 3.27Å; L811-I815 WeakPolarHBondContact O-CG1 3.43Å; L811-I815 PolarHBondContact O-N 3.33Å; L811-L884 HydrophobicContact CD1-CD2 3.87Å
812T85.9Confident84Confident22 Ų2276.7 Ų76.714%0.13539%0.394CS..Hα-helixtrans-62.2-42.9177.6-560000111Q808 R809 R810 N816 L845 Y847Q808-T812 WeakPolarHBondContact O-CB 3.39Å; Q808-T812 PolarHBondContact O-N 3.07Å; Q808-T812 PolarHBondContact O-OG1 3.19Å; R809-T812 PolarHBondContact O-N 3.32Å; R810-T812 VanDerWaalsContact C-N 3.33Å; R810-T812 PolarHBondContact O-N 3.33Å; T812-N816 WeakPolarHBondContact O-CB 3.45Å; T812-N816 PolarHBondContact O-N 2.96Å; T812-N816 VanDerWaalsContact O-N 3.12Å; T812-N816 PolarHBondContact O-ND2 2.77Å; T812-L845 HydrophobicContact CG2-CD1 4.25Å; T812-Y847 HydrophobicContact CG2-CD1 4.2Å; T812-Y847 HydrophobicContact CG2-CE1 3.53Å
813A85.8Confident84.3Confident41 Ų4170 Ų7034%0.33937%0.365SS..Hα-helixtrans-67-35.517700000112.7R809 R810 L811 K817R809-A813 WeakPolarHBondContact O-CB 3.46Å; R809-A813 PolarHBondContact O-N 3.5Å; R810-A813 PolarHBondContact O-N 2.87Å; L811-A813 VanDerWaalsContact C-N 3.33Å; L811-A813 PolarHBondContact O-N 3.11Å; A813-K817 WeakPolarHBondContact O-CB 3.43Å; A813-K817 VanDerWaalsContact O-CD 3.3Å; A813-K817 WeakPolarHBondContact O-CD 3.48Å; A813-K817 WeakPolarHBondContact O-CG 3.4Å; A813-K817 PolarHBondContact O-N 3.45Å
814E87Confident84.3Confident95 Ų9572.8 Ų72.844%0.44438%0.376SS..Hα-helixtrans-66.1-50.2175-76.6178.9-179.300111.3R810 L811 N816 K817 C818R810-E814 WeakPolarHBondContact O-CG 3.47Å; R810-E814 PolarHBondContact O-N 3.45Å; L811-E814 PolarHBondContact O-N 3.48Å; E814-N816 VanDerWaalsContact C-N 3.32Å; E814-N816 PolarHBondContact O-N 2.87Å; E814-K817 PolarHBondContact O-N 3.39Å; E814-C818 PolarHBondContact O-N 2.83Å; E814-C818 PolarHBondContact O-SG 2.97Å; E814-C818 VanDerWaalsContact O-SG 3.32Å
815I87.3Confident84.2Confident2 Ų275.9 Ų75.91%0.0139%0.394CS..Hα-helixtrans-54.9-49.3178.3-69.9164.5000110.9L811 K817 C818 L834 Y846 R848 L884L811-I815 HydrophobicContact CD1-CD1 3.98Å; L811-I815 HydrophobicContact CD1-CG1 4.28Å; L811-I815 HydrophobicContact CG-CD1 3.91Å; L811-I815 VanDerWaalsContact O-CG1 3.27Å; L811-I815 WeakPolarHBondContact O-CG1 3.43Å; L811-I815 PolarHBondContact O-N 3.33Å; I815-K817 VanDerWaalsContact C-N 3.28Å; I815-K817 PolarHBondContact O-N 3.19Å; I815-C818 PolarHBondContact O-N 2.89Å; I815-L834 HydrophobicContact CD1-CD2 4.21Å; I815-L834 HydrophobicContact CG1-CD2 4.34Å; I815-L834 HydrophobicContact CG2-CD1 3.92Å; I815-L834 HydrophobicContact CG2-CD2 3.67Å; I815-L834 HydrophobicContact CG2-CG 4.41Å; I815-Y846 WeakPolarHBondContact CG2-O 3.45Å; I815-R848 HydrophobicContact CD1-CG 3.74Å; I815-L884 HydrophobicContact CG1-CD1 3.82Å; I815-L884 HydrophobicContact CG1-CD2 4.45Å
816N87.1Confident84.2Confident52 Ų5278.1 Ų78.128%0.27841%0.414SS..Hα-helixtrans-80.9-5.3-173.8-69.2-79.5000113.7T812 E814 L845 Y846T812-N816 WeakPolarHBondContact O-CB 3.45Å; T812-N816 PolarHBondContact O-N 2.96Å; T812-N816 VanDerWaalsContact O-N 3.12Å; T812-N816 PolarHBondContact O-ND2 2.77Å; E814-N816 VanDerWaalsContact C-N 3.32Å; E814-N816 PolarHBondContact O-N 2.87Å; N816-L845 HydrophobicContact CB-CD2 4.31Å; N816-Y846 PolarHBondContact ND2-O 3.37Å; N816-Y846 PolarHBondContact OD1-N 3.38Å
817K85.2Confident84.1Confident173 Ų17377 Ų7775%0.75241%0.41SS*.Hα-helixtrans-88.9-20168.5-78170.9-171.5176.40112.9A813 E814 I815A813-K817 WeakPolarHBondContact O-CB 3.43Å; A813-K817 VanDerWaalsContact O-CD 3.3Å; A813-K817 WeakPolarHBondContact O-CD 3.48Å; A813-K817 WeakPolarHBondContact O-CG 3.4Å; A813-K817 PolarHBondContact O-N 3.45Å; E814-K817 PolarHBondContact O-N 3.39Å; I815-K817 VanDerWaalsContact C-N 3.28Å; I815-K817 PolarHBondContact O-N 3.19Å
818C81.1Confident83.9Confident61 Ų6175.9 Ų75.941%0.41240%0.403SS..SBendtrans-75.3149.7-179.8-68.40000112.2E814 I815 L820E814-C818 PolarHBondContact O-N 2.83Å; E814-C818 PolarHBondContact O-SG 2.97Å; E814-C818 VanDerWaalsContact O-SG 3.32Å; I815-C818 PolarHBondContact O-N 2.89Å; C818-L820 HydrophobicContact CB-CD2 4.14Å; C818-L820 PolarHBondContact O-N 3.27Å; C818-L820 VanDerWaalsContact O-N 3.16Å
819T80.9Confident83.5Confident148 Ų14877.4 Ų77.491%0.90841%0.414SS*.  trans-73.7104.3170.6-43.50000109.4
820L84.9Confident82.9Confident41 Ų4171.4 Ų71.422%0.21540%0.395CS..PPolyproline II helixtrans-85.2116.4-173.4-56.4-176.6000112.3C818 L834 Y846 R878C818-L820 HydrophobicContact CB-CD2 4.14Å; C818-L820 PolarHBondContact O-N 3.27Å; C818-L820 VanDerWaalsContact O-N 3.16Å; L820-L834 HydrophobicContact CD1-CD1 4.44Å; L820-L834 HydrophobicContact CD2-CD1 3.49Å; L820-L834 VanDerWaalsContact CD2-CD1 3.49Å; L820-Y846 HydrophobicContact CD1-CD1 3.96Å; L820-Y846 HydrophobicContact CD1-CD2 3.63Å; L820-Y846 HydrophobicContact CD1-CE1 4.47Å; L820-Y846 HydrophobicContact CD1-CE2 4.19Å; L820-Y846 HydrophobicContact CD1-CG 3.5Å; L820-R878 HydrophobicContact CB-CB 4.02Å; L820-R878 HydrophobicContact CB-CG 3.79Å; L820-R878 HydrophobicContact CD1-CG 4.29Å
821S85.8Confident82.8Confident51 Ų5165.2 Ų65.236%0.35737%0.373SS..PPolyproline II helixtrans-82.4143.9173.148.70000111.9R878 E879S821-R878 VanDerWaalsContact C-CD 3.48Å; S821-R878 CarbonylContact O-C 3.52Å; S821-R878 WeakPolarHBondContact O-CA 3.16Å; S821-R878 WeakPolarHBondContact O-CB 3.28Å; S821-R878 WeakPolarHBondContact O-CD 3.45Å; S821-E879 PolarHBondContact O-N 3.2Å; S821-E879 PolarHBondContact OG-OE2 3Å
822P87Confident82.8Confident84 Ų8467.6 Ų67.655%0.54539%0.386SS..BIsolated β-bridgetrans-60148.2167.5-2032.3000111.5T824P822-T824 PolarHBondContact O-N 3.21Å
823V86.6Confident83Confident34 Ų3466.6 Ų66.621%0.20638%0.379CS..PPolyproline II helixtrans-61.4118.5176.2-178.10000110.5L827 L831 C833 L877 E879V823-L827 HydrophobicContact CB-CD2 4.22Å; V823-L827 HydrophobicContact CG1-CD2 3.87Å; V823-L831 HydrophobicContact CG1-CD2 4.01Å; V823-C833 HydrophobicContact CG2-CB 4.38Å; V823-L877 HydrophobicContact CG2-CB 3.84Å; V823-E879 HydrophobicContact CB-CG 4.5Å; V823-E879 HydrophobicContact CG2-CG 4.42Å
824T79.8Confident83.3Confident117 Ų11764.6 Ų64.672%0.71836%0.363SS*.  trans-85.3-20.7-178.856.70000113.8P822 E879P822-T824 PolarHBondContact O-N 3.21Å; T824-E879 WeakPolarHBondContact CB-OE1 3.32Å; T824-E879 VanDerWaalsContact CG2-OE1 3.32Å; T824-E879 WeakPolarHBondContact CG2-OE1 3.44Å; T824-E879 PolarHBondContact N-OE1 3.12Å; T824-E879 VanDerWaalsContact N-OE1 3.07Å; T824-E879 PolarHBondContact OG1-OE1 3.19Å
825V79.7Confident83.6Confident80 Ų8060.1 Ų60.149%0.48534%0.342SS..SBendtrans-87152.5-178.6-1720000110.7L827 Y828V825-L827 PolarHBondContact O-N 3.46Å; V825-Y828 HydrophobicContact CG1-CE1 4.34Å
826S81.3Confident83.7Confident97 Ų9761 Ų6168%0.67835%0.348SS*.PPolyproline II helixtrans-57.5135.8170.451.60000110.8Y828S826-Y828 WeakPolarHBondContact O-CD1 3.42Å
827L83.4Confident83.8Confident46 Ų4661.7 Ų61.724%0.24135%0.347CS..PPolyproline II helixtrans-73.7132.3-178.3-57.8177.4000110.6V823 V825 L831 I851 M854 V859 L877V823-L827 HydrophobicContact CB-CD2 4.22Å; V823-L827 HydrophobicContact CG1-CD2 3.87Å; V825-L827 PolarHBondContact O-N 3.46Å; L827-L831 HydrophobicContact CD2-CD2 3.94Å; L827-I851 HydrophobicContact CB-CD1 4.15Å; L827-I851 HydrophobicContact CD2-CD1 3.92Å; L827-M854 HydrophobicContact CB-CE 3.6Å; L827-M854 HydrophobicContact CB-SD 3.74Å; L827-M854 HydrophobicContact CD1-CE 3.74Å; L827-M854 HydrophobicContact CD1-SD 4.37Å; L827-M854 HydrophobicContact CG-CE 4.32Å; L827-V859 HydrophobicContact CD1-CG2 4.2Å; L827-L877 HydrophobicContact CD1-CD1 4.04Å; L827-L877 HydrophobicContact CD2-CD1 3.91Å
828Y75.8Confident83.5Confident103 Ų10356.4 Ų56.440%0.40433%0.332SS..  trans-143.4155.5176.159.1-92.1000111.1V825 S826 L831V825-Y828 HydrophobicContact CG1-CE1 4.34Å; S826-Y828 WeakPolarHBondContact O-CD1 3.42Å; Y828-L831 HydrophobicContact CD2-CB 4.24Å; Y828-L831 HydrophobicContact CE1-CB 4.32Å; Y828-L831 HydrophobicContact CE1-CD1 3.92Å; Y828-L831 HydrophobicContact CE1-CG 4.48Å; Y828-L831 HydrophobicContact CE2-CB 4.02Å; Y828-L831 HydrophobicContact CE2-CD1 4.47Å; Y828-L831 HydrophobicContact CG-CB 4.48Å; Y828-L831 VanDerWaalsContact O-CB 3.26Å; Y828-L831 WeakPolarHBondContact O-CB 3.27Å; Y828-L831 PolarHBondContact O-N 3.1Å; Y828-L831 WeakPolarHBondContact OH-CD1 3.44Å
829P73.4Confident82.5Confident47 Ų4760.7 Ų60.731%0.30535%0.346SS..THydrogen-bonded Turntrans-54.2138174.9-28.136.7000113.3L831 L852P829-L831 VanDerWaalsContact C-N 3.3Å; P829-L852 WeakPolarHBondContact CB-O 3.42Å
830N71.6Confident81.1Confident45 Ų4558.3 Ų58.324%0.24133%0.332CS..THydrogen-bonded Turntrans71.94.4-174.6-50.8-71000116.4Q757 L832 I851Q757-N830 PolarHBondContact NE2-ND2 3.48Å; N830-L832 PolarHBondContact O-N 3.33Å; N830-I851 WeakPolarHBondContact CA-O 3.34Å; N830-I851 PolarHBondContact N-O 3.34Å
831L83.3Confident79.5Confident21 Ų2165 Ų6511%0.1137%0.368CS..  trans-58.7126.3168.8178.466.5000109.8V823 L827 Y828 P829 K850 I851V823-L831 HydrophobicContact CG1-CD2 4.01Å; L827-L831 HydrophobicContact CD2-CD2 3.94Å; Y828-L831 HydrophobicContact CD2-CB 4.24Å; Y828-L831 HydrophobicContact CE1-CB 4.32Å; Y828-L831 HydrophobicContact CE1-CD1 3.92Å; Y828-L831 HydrophobicContact CE1-CG 4.48Å; Y828-L831 HydrophobicContact CE2-CB 4.02Å; Y828-L831 HydrophobicContact CE2-CD1 4.47Å; Y828-L831 HydrophobicContact CG-CB 4.48Å; Y828-L831 VanDerWaalsContact O-CB 3.26Å; Y828-L831 WeakPolarHBondContact O-CB 3.27Å; Y828-L831 PolarHBondContact O-N 3.1Å; Y828-L831 WeakPolarHBondContact OH-CD1 3.44Å; P829-L831 VanDerWaalsContact C-N 3.3Å; L831-K850 WeakPolarHBondContact O-CA 3.4Å; L831-I851 HydrophobicContact CB-CD1 4.02Å; L831-I851 HydrophobicContact CB-CG1 4.38Å; L831-I851 HydrophobicContact CD2-CD1 4.04Å; L831-I851 HydrophobicContact CG-CD1 4.45Å; L831-I851 PolarHBondContact O-N 3.21Å
832L86.5Confident78.3Confident60 Ų6070 Ų7031%0.31439%0.385SS..EExtended strand (participates in β ladder)trans-81.7127175.1-55.8177.3000109.1N830 A849 K850 L864 L880 L885 F889N830-L832 PolarHBondContact O-N 3.33Å; L832-A849 WeakPolarHBondContact CA-O 3.41Å; L832-K850 HydrophobicContact CD2-CB 3.75Å; L832-L864 HydrophobicContact CD2-CD1 3.83Å; L832-L880 HydrophobicContact CB-CD2 3.94Å; L832-L885 HydrophobicContact CD1-CD1 3.3Å; L832-F889 HydrophobicContact CD1-CZ 4.43Å
833C90.4Very high77.4Confident0 Ų074.8 Ų74.80%040%0.4CS..EExtended strand (participates in β ladder)trans-148.1172.4-175.459.80000110.8V823 A849 R878V823-C833 HydrophobicContact CG2-CB 4.38Å; C833-A849 PolarHBondContact N-O 3.1Å; C833-A849 CarbonylContact O-C 3.59Å; C833-A849 PolarHBondContact O-N 3.03Å; C833-R878 WeakPolarHBondContact CB-O 3.38Å
834L91.6Very high77.1Confident0 Ų076.2 Ų76.20%041%0.412CS..EExtended strand (participates in β ladder)trans-97.7129166.5-69.3174000109I815 L820 Y846 Y847 R848 R878 E879 L880I815-L834 HydrophobicContact CD1-CD2 4.21Å; I815-L834 HydrophobicContact CG1-CD2 4.34Å; I815-L834 HydrophobicContact CG2-CD1 3.92Å; I815-L834 HydrophobicContact CG2-CD2 3.67Å; I815-L834 HydrophobicContact CG2-CG 4.41Å; L820-L834 HydrophobicContact CD1-CD1 4.44Å; L820-L834 HydrophobicContact CD2-CD1 3.49Å; L820-L834 VanDerWaalsContact CD2-CD1 3.49Å; L834-Y846 HydrophobicContact CB-CD1 4.33Å; L834-Y847 CarbonylContact C-O 3.52Å; L834-Y847 VanDerWaalsContact CA-O 3.3Å; L834-Y847 WeakPolarHBondContact CA-O 3.49Å; L834-R848 HydrophobicContact CD2-CG 4.05Å; L834-R878 HydrophobicContact CB-CB 3.92Å; L834-R878 PolarHBondContact N-O 2.87Å; L834-R878 PolarHBondContact O-N 3.12Å; L834-E879 WeakPolarHBondContact CD1-O 3.38Å; L834-L880 HydrophobicContact CD2-CD1 3.74Å; L834-L880 HydrophobicContact CG-CD1 3.97Å
835A91.9Very high77.5Confident0 Ų074 Ų740%040%0.395CS..EExtended strand (participates in β ladder)trans-126.4144.9-178.800000111.2Y846 Y847 A849 V861 F863 V872 L877A835-Y846 WeakPolarHBondContact O-CA 3.3Å; A835-Y847 PolarHBondContact N-O 3.47Å; A835-Y847 PolarHBondContact O-N 3.02Å; A835-A849 HydrophobicContact CB-CB 3.76Å; A835-V861 HydrophobicContact CB-CB 4.44Å; A835-V861 HydrophobicContact CB-CG1 4.37Å; A835-V861 HydrophobicContact CB-CG2 3.97Å; A835-F863 HydrophobicContact CB-CE1 3.95Å; A835-F863 HydrophobicContact CB-CZ 4.33Å; A835-V872 HydrophobicContact CB-CG2 4.46Å; A835-L877 HydrophobicContact CB-CD2 3.85Å
836P90.9Very high78Confident21 Ų2172.3 Ų72.314%0.13638%0.38CS..EExtended strand (participates in β ladder)trans-77.8144.9178.432-35.1000112L845 Y846 V872P836-L845 CarbonylContact C-O 3.57Å; P836-L845 VanDerWaalsContact CA-O 3.28Å; P836-L845 WeakPolarHBondContact CA-O 3.45Å; P836-Y846 HydrophobicContact CB-CE1 4.31Å; P836-Y846 HydrophobicContact CG-CE1 4.48Å; P836-V872 HydrophobicContact CG-CG1 4.44Å
837Y87.8Confident78.4Confident66 Ų6669.3 Ų69.326%0.25935%0.354SS..EExtended strand (participates in β ladder)trans-144.2142.1172.9-171.5-111.3000111E839 L845 Y847 F863 N868 A870Y837-E839 HydrophobicContact CD1-CG 4.37Å; Y837-E839 HydrophobicContact CE1-CG 3.53Å; Y837-L845 PolarHBondContact N-O 3.03Å; Y837-L845 PolarHBondContact O-N 3.34Å; Y837-Y847 HydrophobicContact CD1-CE2 4.5Å; Y837-F863 HydrophobicContact CD2-CD2 4.45Å; Y837-F863 AromaticContact CD2-CE2 3.59Å; Y837-F863 HydrophobicContact CD2-CE2 3.59Å; Y837-F863 AromaticContact CD2-CZ 3.91Å; Y837-F863 HydrophobicContact CD2-CZ 3.91Å; Y837-F863 HydrophobicContact CE2-CE2 4.27Å; Y837-F863 AromaticContact CG-CE2 3.99Å; Y837-F863 HydrophobicContact CG-CE2 3.99Å; Y837-F863 HydrophobicContact CG-CZ 4.02Å; Y837-N868 WeakPolarHBondContact CE2-ND2 3.32Å; Y837-N868 VanDerWaalsContact CZ-ND2 3.26Å; Y837-N868 PolarHBondContact OH-ND2 2.92Å; Y837-A870 HydrophobicContact CD2-CB 4.14Å; Y837-A870 HydrophobicContact CE2-CB 4.29Å
838S79.4Confident78.8Confident63 Ų6367.1 Ų67.144%0.44134%0.343SS..  trans-138126.8176.454.40000111.1
839E59.4Low79.5Confident150 Ų15062.2 Ų62.270%0.70132%0.324SS*.SBendtrans-89.3-29-179-91.6175.2175.100113.3Y837Y837-E839 HydrophobicContact CD1-CG 4.37Å; Y837-E839 HydrophobicContact CE1-CG 3.53Å
840T51.9Low80.2Confident99 Ų9962.6 Ų62.661%0.60732%0.32SS*.SBendtrans-158.989.2-171.843.40000112E842T840-E842 WeakPolarHBondContact O-CG 3.4Å; T840-E842 PolarHBondContact O-N 3.35Å
841N52.6Low80.9Confident182 Ų18260.4 Ų60.497%0.97331%0.309SS*.SBendtrans43.69.9169.4-77.1-6.7000119.4
842E59.1Low80.7Confident155 Ų15561.4 Ų61.472%0.72431%0.314SS*.SBendtrans-93.6170.8177.5-74.9-178.6179.400110.7T840 S844T840-E842 WeakPolarHBondContact O-CG 3.4Å; T840-E842 PolarHBondContact O-N 3.35Å; E842-S844 PolarHBondContact O-N 3.43Å
843E69.7Low80.2Confident184 Ų18462.2 Ų62.286%0.8632%0.316SS*.  trans-58.5127.9176.4-70.2-172.8161.400111.1L845E843-L845 PolarHBondContact O-N 2.82Å; E843-L845 VanDerWaalsContact O-N 3.12Å
844S79.4Confident79.7Confident64 Ų6465.8 Ų65.845%0.44833%0.334SS..  trans-65.3112.1178.4-57.30000110.9E842E842-S844 PolarHBondContact O-N 3.43Å
845L88.4Confident79Confident71 Ų7172.4 Ų72.437%0.37236%0.359SS..EExtended strand (participates in β ladder)trans-81.2155.7171.4-64.3175.8000110.9T812 N816 P836 Y837 E843 Y847T812-L845 HydrophobicContact CG2-CD1 4.25Å; N816-L845 HydrophobicContact CB-CD2 4.31Å; P836-L845 CarbonylContact C-O 3.57Å; P836-L845 VanDerWaalsContact CA-O 3.28Å; P836-L845 WeakPolarHBondContact CA-O 3.45Å; Y837-L845 PolarHBondContact N-O 3.03Å; Y837-L845 PolarHBondContact O-N 3.34Å; E843-L845 PolarHBondContact O-N 2.82Å; E843-L845 VanDerWaalsContact O-N 3.12Å; L845-Y847 HydrophobicContact CB-CE2 3.81Å; L845-Y847 WeakPolarHBondContact O-CD2 3.23Å; L845-Y847 VanDerWaalsContact O-CE2 3.28Å; L845-Y847 WeakPolarHBondContact O-CE2 3.28Å
846Y90Very high78.4Confident44 Ų4475.6 Ų75.617%0.17339%0.392CS..EExtended strand (participates in β ladder)trans-93.6140.6176.7-73.3-96.7000111.9I815 N816 L820 L834 A835 P836 S876 R878I815-Y846 WeakPolarHBondContact CG2-O 3.45Å; N816-Y846 PolarHBondContact ND2-O 3.37Å; N816-Y846 PolarHBondContact OD1-N 3.38Å; L820-Y846 HydrophobicContact CD1-CD1 3.96Å; L820-Y846 HydrophobicContact CD1-CD2 3.63Å; L820-Y846 HydrophobicContact CD1-CE1 4.47Å; L820-Y846 HydrophobicContact CD1-CE2 4.19Å; L820-Y846 HydrophobicContact CD1-CG 3.5Å; L834-Y846 HydrophobicContact CB-CD1 4.33Å; A835-Y846 WeakPolarHBondContact O-CA 3.3Å; P836-Y846 HydrophobicContact CB-CE1 4.31Å; P836-Y846 HydrophobicContact CG-CE1 4.48Å; Y846-S876 WeakPolarHBondContact CE1-O 3.43Å; Y846-R878 HydrophobicContact CD1-CB 4.47Å; Y846-R878 HydrophobicContact CD1-CG 3.94Å; Y846-R878 HydrophobicContact CE1-CB 4.39Å; Y846-R878 HydrophobicContact CE1-CG 3.45Å; Y846-R878 VanDerWaalsContact CE1-CG 3.45Å; Y846-R878 PolarHBondContact OH-NH2 3.29Å
847Y90.8Very high77.9Confident34 Ų3481.1 Ų81.113%0.13342%0.42CS..EExtended strand (participates in β ladder)trans-136.5156.6-178.2-58.3-82.9000111.2T812 L834 A835 Y837 L845 A849 F863 F866T812-Y847 HydrophobicContact CG2-CD1 4.2Å; T812-Y847 HydrophobicContact CG2-CE1 3.53Å; L834-Y847 CarbonylContact C-O 3.52Å; L834-Y847 VanDerWaalsContact CA-O 3.3Å; L834-Y847 WeakPolarHBondContact CA-O 3.49Å; A835-Y847 PolarHBondContact N-O 3.47Å; A835-Y847 PolarHBondContact O-N 3.02Å; Y837-Y847 HydrophobicContact CD1-CE2 4.5Å; L845-Y847 HydrophobicContact CB-CE2 3.81Å; L845-Y847 WeakPolarHBondContact O-CD2 3.23Å; L845-Y847 VanDerWaalsContact O-CE2 3.28Å; L845-Y847 WeakPolarHBondContact O-CE2 3.28Å; Y847-A849 PolarHBondContact O-N 3.36Å; Y847-F863 HydrophobicContact CD2-CE1 4.42Å; Y847-F866 HydrophobicContact CD1-CD2 4.41Å; Y847-F866 AromaticContact CD1-CE2 3.43Å; Y847-F866 HydrophobicContact CD1-CE2 3.43Å; Y847-F866 VanDerWaalsContact CD1-CE2 3.43Å; Y847-F866 AromaticContact CD1-CZ 3.86Å; Y847-F866 HydrophobicContact CD1-CZ 3.86Å; Y847-F866 AromaticContact CE1-CE2 3.77Å; Y847-F866 HydrophobicContact CE1-CE2 3.77Å; Y847-F866 AromaticContact CE1-CZ 3.68Å; Y847-F866 HydrophobicContact CE1-CZ 3.68Å; Y847-F866 HydrophobicContact CG-CE2 4.17Å
848R91.7Very high77.9Confident1 Ų180.9 Ų80.90%0.00443%0.426CS..EExtended strand (participates in β ladder)trans-67.2126175.1-55.3-170.1-66.7177.1-3.4109.9I815 L834 F863 L864 D865 L880 L884 Q887 P888I815-R848 HydrophobicContact CD1-CG 3.74Å; L834-R848 HydrophobicContact CD2-CG 4.05Å; R848-F863 WeakPolarHBondContact O-CA 3.48Å; R848-L864 HydrophobicContact CB-CB 4.43Å; R848-L864 HydrophobicContact CB-CD1 4.21Å; R848-L864 PolarHBondContact O-N 2.91Å; R848-D865 IonicContact CZ-OD1 2.81Å; R848-D865 IonicContact CZ-OD2 3.38Å; R848-D865 IonicContact NE-OD1 3.07Å; R848-D865 IonicContact NE-OD2 3.53Å; R848-D865 PolarHBondContact NE-OD2 3.43Å; R848-D865 IonicContact NH2-OD1 3.79Å; R848-D865 PolarHBondContact NH2-OD1 3.46Å; R848-D865 IonicContact NH2-OD2 2.89Å; R848-D865 PolarHBondContact NH2-OD2 3.04Å; R848-L880 HydrophobicContact CG-CD1 3.88Å; R848-L884 PolarHBondContact NH1-O 3.33Å; R848-Q887 PolarHBondContact NH1-O 3.39Å; R848-P888 PolarHBondContact NH2-O 2.68Å
849A90.4Very high78.3Confident0 Ų077.9 Ų77.90%041%0.405CS..EExtended strand (participates in β ladder)trans-140.9162-177.600000111.6L832 C833 A835 Y847 V861 F862 F863L832-A849 WeakPolarHBondContact CA-O 3.41Å; C833-A849 PolarHBondContact N-O 3.1Å; C833-A849 CarbonylContact O-C 3.59Å; C833-A849 PolarHBondContact O-N 3.03Å; A835-A849 HydrophobicContact CB-CB 3.76Å; Y847-A849 PolarHBondContact O-N 3.36Å; A849-V861 HydrophobicContact CB-CB 4.14Å; A849-F862 CarbonylContact C-O 3.39Å; A849-F862 WeakPolarHBondContact CA-O 3.49Å; A849-F863 HydrophobicContact CB-CD1 3.93Å; A849-F863 HydrophobicContact CB-CE1 4.16Å
850K88.3Confident79.7Confident54 Ų5472.6 Ų72.624%0.23538%0.38CS..EExtended strand (participates in β ladder)trans-120.8142.5167.769.3179.4-179.8-170.30110.2L831 L832 L852 V861 F862 L864L831-K850 WeakPolarHBondContact O-CA 3.4Å; L832-K850 HydrophobicContact CD2-CB 3.75Å; K850-L852 HydrophobicContact CG-CD2 4.45Å; K850-L852 PolarHBondContact O-N 3Å; K850-V861 CarbonylContact O-C 3.59Å; K850-V861 VanDerWaalsContact O-CA 3.31Å; K850-V861 WeakPolarHBondContact O-CA 3.32Å; K850-F862 HydrophobicContact CD-CD1 4.21Å; K850-F862 VanDerWaalsContact CE-CD1 3.45Å; K850-F862 HydrophobicContact CG-CB 3.87Å; K850-F862 HydrophobicContact CG-CD1 4.09Å; K850-F862 HydrophobicContact CG-CG 4.42Å; K850-F862 PolarHBondContact N-O 3.08Å; K850-F862 PolarHBondContact O-N 2.94Å; K850-L864 HydrophobicContact CB-CD2 4.2Å; K850-L864 HydrophobicContact CD-CD2 3.95Å; K850-L864 HydrophobicContact CG-CD2 4.04Å
851I84.4Confident81.5Confident0 Ų067.9 Ų67.90%035%0.351CS..EExtended strand (participates in β ladder)trans-70.8128174.6-62.1-178.7000109.3L827 N830 L831 M854 V859 V861 L877L827-I851 HydrophobicContact CB-CD1 4.15Å; L827-I851 HydrophobicContact CD2-CD1 3.92Å; N830-I851 WeakPolarHBondContact CA-O 3.34Å; N830-I851 PolarHBondContact N-O 3.34Å; L831-I851 HydrophobicContact CB-CD1 4.02Å; L831-I851 HydrophobicContact CB-CG1 4.38Å; L831-I851 HydrophobicContact CD2-CD1 4.04Å; L831-I851 HydrophobicContact CG-CD1 4.45Å; L831-I851 PolarHBondContact O-N 3.21Å; I851-M854 HydrophobicContact CG2-SD 4.02Å; I851-V859 HydrophobicContact CB-CG1 4.11Å; I851-V859 HydrophobicContact CD1-CG1 4.05Å; I851-V859 HydrophobicContact CG1-CG1 3.84Å; I851-V859 HydrophobicContact CG2-CG1 3.39Å; I851-V861 HydrophobicContact CG1-CG1 4.45Å; I851-L877 HydrophobicContact CD1-CD1 3.77Å; I851-L877 HydrophobicContact CG1-CD1 4.26Å
852L79.4Confident83.2Confident42 Ų4259.7 Ų59.722%0.2231%0.307CS..EExtended strand (participates in β ladder)trans-92.5-57.9170.9-64.5-176.7000110.6P829 K850 E860 F862 T869P829-L852 WeakPolarHBondContact CB-O 3.42Å; K850-L852 HydrophobicContact CG-CD2 4.45Å; K850-L852 PolarHBondContact O-N 3Å; L852-E860 HydrophobicContact CB-CG 4.39Å; L852-E860 HydrophobicContact CD1-CG 4.43Å; L852-E860 PolarHBondContact N-O 3.17Å; L852-F862 HydrophobicContact CD1-CB 3.93Å; L852-F862 HydrophobicContact CD2-CB 3.94Å; L852-F862 HydrophobicContact CG-CB 3.85Å; L852-T869 HydrophobicContact CD1-CG2 3.7Å
853H77.4Confident84.7Confident77 Ų7752.4 Ų52.436%0.35627%0.273SS..EExtended strand (participates in β ladder)trans-140.9143.8-174.3-62.5-58000112.1E860H853-E860 HydrophobicContact CB-CB 4.28Å; H853-E860 IonicContact CD2-OE2 2.73Å; H853-E860 PolarHBondContact N-O 3.12Å; H853-E860 PolarHBondContact O-N 3.31Å
854M79.7Confident85.5Confident74 Ų7444.1 Ų44.137%0.36523%0.234SC..EExtended strand (participates in β ladder)trans-95.8121.3173.5-63.5-64.7-62.400109.2L827 I851 V859L827-M854 HydrophobicContact CB-CE 3.6Å; L827-M854 HydrophobicContact CB-SD 3.74Å; L827-M854 HydrophobicContact CD1-CE 3.74Å; L827-M854 HydrophobicContact CD1-SD 4.37Å; L827-M854 HydrophobicContact CG-CE 4.32Å; I851-M854 HydrophobicContact CG2-SD 4.02Å; M854-V859 HydrophobicContact CE-CG2 3.72Å; M854-V859 HydrophobicContact SD-CB 4.23Å; M854-V859 HydrophobicContact SD-CG1 3.67Å; M854-V859 HydrophobicContact SD-CG2 3.6Å
855R77.1Confident85.9Confident139 Ų13941.2 Ų41.253%0.52521%0.214SC..EExtended strand (participates in β ladder)trans-124.183.5177.9-63.6-170.4-166.8-171.29.4110.1N857 T858 E860R855-N857 PolarHBondContact O-N 2.98Å; R855-T858 CarbonylContact C-O 3.6Å; R855-T858 WeakPolarHBondContact CA-O 3.31Å; R855-T858 PolarHBondContact N-O 3.26Å; R855-T858 PolarHBondContact O-N 2.87Å; R855-T858 VanDerWaalsContact O-O 3.07Å; R855-T858 PolarHBondContact O-OG1 2.6Å; R855-E860 IonicContact CZ-OE2 2.82Å; R855-E860 IonicContact NE-OE2 3.65Å; R855-E860 IonicContact NH2-OE1 2.65Å; R855-E860 IonicContact NH2-OE2 3.51Å; R855-E860 PolarHBondContact NH2-OE2 2.92Å
856G78.3Confident85.7Confident68 Ų6839.6 Ų39.670%0.70120%0.204SC*.THydrogen-bonded Turntrans60.5-117.4-17700000111.3
857N81.6Confident85.4Confident136 Ų13637.5 Ų37.573%0.72720%0.196SC*.THydrogen-bonded Turntrans-87-4.4178-71.30.1000113.9R855 S874R855-N857 PolarHBondContact O-N 2.98Å; N857-S874 PolarHBondContact O-N 3.43Å; N857-S874 VanDerWaalsContact O-N 3.1Å; N857-S874 PolarHBondContact O-OG 3.04Å
858T87.1Confident85.2Confident62 Ų6236.6 Ų36.638%0.3819%0.193SC..EExtended strand (participates in β ladder)trans-108.9149177.456.60000110.7R855 V872R855-T858 CarbonylContact C-O 3.6Å; R855-T858 WeakPolarHBondContact CA-O 3.31Å; R855-T858 PolarHBondContact N-O 3.26Å; R855-T858 PolarHBondContact O-N 2.87Å; R855-T858 VanDerWaalsContact O-O 3.07Å; R855-T858 PolarHBondContact O-OG1 2.6Å; T858-V872 CarbonylContact C-O 3.6Å; T858-V872 WeakPolarHBondContact CA-O 3.4Å
859V87.8Confident85.1Confident0 Ų038.8 Ų38.80%021%0.207CC..EExtended strand (participates in β ladder)trans-125.9128.3-179.1-171.20000107.9L827 I851 M854 V861 V872 L877L827-V859 HydrophobicContact CD1-CG2 4.2Å; I851-V859 HydrophobicContact CB-CG1 4.11Å; I851-V859 HydrophobicContact CD1-CG1 4.05Å; I851-V859 HydrophobicContact CG1-CG1 3.84Å; I851-V859 HydrophobicContact CG2-CG1 3.39Å; M854-V859 HydrophobicContact CE-CG2 3.72Å; M854-V859 HydrophobicContact SD-CB 4.23Å; M854-V859 HydrophobicContact SD-CG1 3.67Å; M854-V859 HydrophobicContact SD-CG2 3.6Å; V859-V861 HydrophobicContact CG1-CG1 4.12Å; V859-V872 HydrophobicContact CB-CG2 4.49Å; V859-V872 PolarHBondContact N-O 3Å; V859-V872 WeakPolarHBondContact O-CG2 3.29Å; V859-V872 PolarHBondContact O-N 3.23Å; V859-L877 HydrophobicContact CB-CD1 4.42Å; V859-L877 HydrophobicContact CG1-CD1 4.39Å; V859-L877 HydrophobicContact CG2-CD1 4.26Å
860E89.3Confident85Confident38 Ų3839.9 Ų39.918%0.17822%0.215CC..EExtended strand (participates in β ladder)trans-83120.5171.5-171.1168.3-165.600107.8L852 H853 R855 A870 L871L852-E860 HydrophobicContact CB-CG 4.39Å; L852-E860 HydrophobicContact CD1-CG 4.43Å; L852-E860 PolarHBondContact N-O 3.17Å; H853-E860 HydrophobicContact CB-CB 4.28Å; H853-E860 IonicContact CD2-OE2 2.73Å; H853-E860 PolarHBondContact N-O 3.12Å; H853-E860 PolarHBondContact O-N 3.31Å; R855-E860 IonicContact CZ-OE2 2.82Å; R855-E860 IonicContact NE-OE2 3.65Å; R855-E860 IonicContact NH2-OE1 2.65Å; R855-E860 IonicContact NH2-OE2 3.51Å; R855-E860 PolarHBondContact NH2-OE2 2.92Å; E860-A870 WeakPolarHBondContact CA-O 3.36Å; E860-L871 HydrophobicContact CB-CD2 3.87Å; E860-L871 HydrophobicContact CG-CD2 4.36Å
861V89.1Confident85Confident0 Ų042.3 Ų42.30%023%0.23CC..EExtended strand (participates in β ladder)trans-118149.4-177.7-63.60000110.8A835 A849 K850 I851 V859 F863 T869 A870 V872 L877A835-V861 HydrophobicContact CB-CB 4.44Å; A835-V861 HydrophobicContact CB-CG1 4.37Å; A835-V861 HydrophobicContact CB-CG2 3.97Å; A849-V861 HydrophobicContact CB-CB 4.14Å; K850-V861 CarbonylContact O-C 3.59Å; K850-V861 VanDerWaalsContact O-CA 3.31Å; K850-V861 WeakPolarHBondContact O-CA 3.32Å; I851-V861 HydrophobicContact CG1-CG1 4.45Å; V859-V861 HydrophobicContact CG1-CG1 4.12Å; V861-F863 HydrophobicContact CG2-CE2 4.25Å; V861-F863 HydrophobicContact CG2-CZ 4.03Å; V861-T869 CarbonylContact O-C 3.57Å; V861-T869 VanDerWaalsContact O-CA 3.24Å; V861-T869 WeakPolarHBondContact O-CA 3.33Å; V861-A870 WeakPolarHBondContact CG2-O 3.49Å; V861-A870 PolarHBondContact N-O 3.35Å; V861-A870 PolarHBondContact O-N 3.01Å; V861-V872 HydrophobicContact CB-CG2 4.37Å; V861-V872 HydrophobicContact CG1-CG2 3.62Å; V861-V872 HydrophobicContact CG2-CG1 3.99Å; V861-V872 HydrophobicContact CG2-CG2 3.8Å; V861-L877 HydrophobicContact CG1-CD2 4.1Å
862F88.8Confident85.3Confident11 Ų1142.9 Ų42.95%0.04823%0.234CC..EExtended strand (participates in β ladder)trans-114.1122.2173.7174.9-88.4000109.4W796 A849 K850 L852 L864 G867 T869W796-F862 AromaticContact CD2-CE2 3.93Å; W796-F862 HydrophobicContact CD2-CE2 3.93Å; W796-F862 AromaticContact CD2-CZ 3.58Å; W796-F862 HydrophobicContact CD2-CZ 3.58Å; W796-F862 AromaticContact CE2-CE2 3.71Å; W796-F862 AromaticContact CE2-CZ 3.55Å; W796-F862 AromaticContact CE3-CZ 3.74Å; W796-F862 HydrophobicContact CE3-CZ 3.74Å; W796-F862 HydrophobicContact CG-CE2 4.14Å; W796-F862 HydrophobicContact CG-CZ 4.2Å; W796-F862 HydrophobicContact CH2-CE1 4.47Å; W796-F862 AromaticContact CH2-CZ 3.88Å; W796-F862 HydrophobicContact CH2-CZ 3.88Å; W796-F862 HydrophobicContact CZ2-CE2 4.17Å; W796-F862 AromaticContact CZ2-CZ 3.73Å; W796-F862 HydrophobicContact CZ2-CZ 3.73Å; W796-F862 HydrophobicContact CZ3-CE1 4.5Å; W796-F862 AromaticContact CZ3-CZ 3.87Å; W796-F862 HydrophobicContact CZ3-CZ 3.87Å; W796-F862 AromaticContact NE1-CE2 3.74Å; A849-F862 CarbonylContact C-O 3.39Å; A849-F862 WeakPolarHBondContact CA-O 3.49Å; K850-F862 HydrophobicContact CD-CD1 4.21Å; K850-F862 VanDerWaalsContact CE-CD1 3.45Å; K850-F862 HydrophobicContact CG-CB 3.87Å; K850-F862 HydrophobicContact CG-CD1 4.09Å; K850-F862 HydrophobicContact CG-CG 4.42Å; K850-F862 PolarHBondContact N-O 3.08Å; K850-F862 PolarHBondContact O-N 2.94Å; L852-F862 HydrophobicContact CD1-CB 3.93Å; L852-F862 HydrophobicContact CD2-CB 3.94Å; L852-F862 HydrophobicContact CG-CB 3.85Å; F862-L864 HydrophobicContact CD1-CD2 4.18Å; F862-L864 HydrophobicContact CE1-CD2 4.42Å; F862-L864 PolarHBondContact O-N 3.07Å; F862-G867 WeakPolarHBondContact CE2-O 3.3Å; F862-T869 HydrophobicContact CB-CG2 4.25Å; F862-T869 HydrophobicContact CD2-CG2 3.82Å
863F90.3Very high85.8Confident2 Ų243.3 Ų43.31%0.00924%0.241CC..EExtended strand (participates in β ladder)trans-78.3120.9-179.6-66.5-75.4000110.6A835 Y837 Y847 R848 A849 V861 D865 F866 G867 N868 A870A835-F863 HydrophobicContact CB-CE1 3.95Å; A835-F863 HydrophobicContact CB-CZ 4.33Å; Y837-F863 HydrophobicContact CD2-CD2 4.45Å; Y837-F863 AromaticContact CD2-CE2 3.59Å; Y837-F863 HydrophobicContact CD2-CE2 3.59Å; Y837-F863 AromaticContact CD2-CZ 3.91Å; Y837-F863 HydrophobicContact CD2-CZ 3.91Å; Y837-F863 HydrophobicContact CE2-CE2 4.27Å; Y837-F863 AromaticContact CG-CE2 3.99Å; Y837-F863 HydrophobicContact CG-CE2 3.99Å; Y837-F863 HydrophobicContact CG-CZ 4.02Å; Y847-F863 HydrophobicContact CD2-CE1 4.42Å; R848-F863 WeakPolarHBondContact O-CA 3.48Å; A849-F863 HydrophobicContact CB-CD1 3.93Å; A849-F863 HydrophobicContact CB-CE1 4.16Å; V861-F863 HydrophobicContact CG2-CE2 4.25Å; V861-F863 HydrophobicContact CG2-CZ 4.03Å; F863-D865 VanDerWaalsContact C-N 3.29Å; F863-D865 PolarHBondContact O-N 3.44Å; F863-F866 HydrophobicContact CB-CB 4.25Å; F863-F866 HydrophobicContact CB-CD2 4.43Å; F863-G867 VanDerWaalsContact O-CA 3.32Å; F863-G867 WeakPolarHBondContact O-CA 3.39Å; F863-G867 PolarHBondContact O-N 3.28Å; F863-N868 WeakPolarHBondContact CD2-O 3.17Å; F863-N868 PolarHBondContact N-O 2.7Å; F863-A870 HydrophobicContact CE2-CB 3.69Å; F863-A870 HydrophobicContact CZ-CB 4.32Å
864L87.1Confident86.2Confident9 Ų941.5 Ų41.55%0.04724%0.236CC..THydrogen-bonded Turntrans-73-22.8-169.3-63.5166.2000113.2L832 R848 K850 F862 F889 A891L832-L864 HydrophobicContact CD2-CD1 3.83Å; R848-L864 HydrophobicContact CB-CB 4.43Å; R848-L864 HydrophobicContact CB-CD1 4.21Å; R848-L864 PolarHBondContact O-N 2.91Å; K850-L864 HydrophobicContact CB-CD2 4.2Å; K850-L864 HydrophobicContact CD-CD2 3.95Å; K850-L864 HydrophobicContact CG-CD2 4.04Å; F862-L864 HydrophobicContact CD1-CD2 4.18Å; F862-L864 HydrophobicContact CE1-CD2 4.42Å; F862-L864 PolarHBondContact O-N 3.07Å; L864-F889 HydrophobicContact CB-CB 4.31Å; L864-F889 HydrophobicContact CB-CD1 3.91Å; L864-F889 HydrophobicContact CB-CD2 4.47Å; L864-F889 HydrophobicContact CB-CE1 4.4Å; L864-F889 HydrophobicContact CB-CG 3.98Å; L864-F889 HydrophobicContact CD1-CD1 4.13Å; L864-F889 HydrophobicContact CD1-CE1 3.75Å; L864-F889 HydrophobicContact CD1-CE2 4.26Å; L864-F889 HydrophobicContact CD1-CZ 3.83Å; L864-F889 HydrophobicContact CD2-CD2 4.26Å; L864-F889 HydrophobicContact CD2-CE2 4.3Å; L864-A891 WeakPolarHBondContact O-CB 3.26Å; L864-A891 PolarHBondContact O-N 2.79Å; L864-A891 VanDerWaalsContact O-N 3.17Å
865D87.5Confident86.6Confident4 Ų442.3 Ų42.32%0.02125%0.249CC..THydrogen-bonded Turntrans-99.3-19.6-176.7-64.4-52.1000113.6R848 F863 Q890R848-D865 IonicContact CZ-OD1 2.81Å; R848-D865 IonicContact CZ-OD2 3.38Å; R848-D865 IonicContact NE-OD1 3.07Å; R848-D865 IonicContact NE-OD2 3.53Å; R848-D865 PolarHBondContact NE-OD2 3.43Å; R848-D865 IonicContact NH2-OD1 3.79Å; R848-D865 PolarHBondContact NH2-OD1 3.46Å; R848-D865 IonicContact NH2-OD2 2.89Å; R848-D865 PolarHBondContact NH2-OD2 3.04Å; F863-D865 VanDerWaalsContact C-N 3.29Å; F863-D865 PolarHBondContact O-N 3.44Å; D865-Q890 HydrophobicContact CB-CB 4.28Å; D865-Q890 PolarHBondContact OD1-N 3.23Å
866F84.6Confident87.2Confident37 Ų3736.7 Ų36.716%0.16223%0.232CC..THydrogen-bonded Turntrans-112.8-29.8-176.8-63.4-99.2000111.4T787 F798 Q808 Y847 F863 N868T787-F866 WeakPolarHBondContact CB-O 3.39Å; T787-F866 WeakPolarHBondContact CG2-O 3.38Å; T787-F866 PolarHBondContact OG1-O 3.07Å; F798-F866 HydrophobicContact CE1-CD1 4.33Å; Q808-F866 HydrophobicContact CG-CZ 4.11Å; Y847-F866 HydrophobicContact CD1-CD2 4.41Å; Y847-F866 AromaticContact CD1-CE2 3.43Å; Y847-F866 HydrophobicContact CD1-CE2 3.43Å; Y847-F866 VanDerWaalsContact CD1-CE2 3.43Å; Y847-F866 AromaticContact CD1-CZ 3.86Å; Y847-F866 HydrophobicContact CD1-CZ 3.86Å; Y847-F866 AromaticContact CE1-CE2 3.77Å; Y847-F866 HydrophobicContact CE1-CE2 3.77Å; Y847-F866 AromaticContact CE1-CZ 3.68Å; Y847-F866 HydrophobicContact CE1-CZ 3.68Å; Y847-F866 HydrophobicContact CG-CE2 4.17Å; F863-F866 HydrophobicContact CB-CB 4.25Å; F863-F866 HydrophobicContact CB-CD2 4.43Å; F866-N868 VanDerWaalsContact C-N 3.33Å; F866-N868 WeakPolarHBondContact CB-OD1 3.46Å
867G83.8Confident87.8Confident0 Ų033.6 Ų33.60%020%0.199CC..  trans82.65.5177.500000115W796 F862 F863W796-G867 WeakPolarHBondContact CB-O 3.49Å; F862-G867 WeakPolarHBondContact CE2-O 3.3Å; F863-G867 VanDerWaalsContact O-CA 3.32Å; F863-G867 WeakPolarHBondContact O-CA 3.39Å; F863-G867 PolarHBondContact O-N 3.28Å
868N86.8Confident88.3Confident15 Ų1529.5 Ų29.58%0.0817%0.173CC..  trans-92.8161.5174.565.1-52.9000112.6E788 Y837 F863 F866E788-N868 HydrophobicContact CB-CB 4.45Å; E788-N868 VanDerWaalsContact OE2-C 3.26Å; E788-N868 WeakPolarHBondContact OE2-CA 3.49Å; Y837-N868 WeakPolarHBondContact CE2-ND2 3.32Å; Y837-N868 VanDerWaalsContact CZ-ND2 3.26Å; Y837-N868 PolarHBondContact OH-ND2 2.92Å; F863-N868 WeakPolarHBondContact CD2-O 3.17Å; F863-N868 PolarHBondContact N-O 2.7Å; F866-N868 VanDerWaalsContact C-N 3.33Å; F866-N868 WeakPolarHBondContact CB-OD1 3.46Å
869T88Confident88.4Confident47 Ų4729.6 Ų29.629%0.28817%0.169SC..EExtended strand (participates in β ladder)trans-109.3149.8177.152.70000112.6E788 L852 V861 F862E788-T869 PolarHBondContact OE1-OG1 3.15Å; E788-T869 WeakPolarHBondContact OE2-CG2 3.28Å; E788-T869 PolarHBondContact OE2-N 3.33Å; E788-T869 PolarHBondContact OE2-OG1 2.96Å; L852-T869 HydrophobicContact CD1-CG2 3.7Å; V861-T869 CarbonylContact O-C 3.57Å; V861-T869 VanDerWaalsContact O-CA 3.24Å; V861-T869 WeakPolarHBondContact O-CA 3.33Å; F862-T869 HydrophobicContact CB-CG2 4.25Å; F862-T869 HydrophobicContact CD2-CG2 3.82Å
870A88.8Confident88.3Confident22 Ų2231 Ų3118%0.18218%0.177CC..EExtended strand (participates in β ladder)trans-148.1156.5172.300000112.1Y837 E860 V861 F863Y837-A870 HydrophobicContact CD2-CB 4.14Å; Y837-A870 HydrophobicContact CE2-CB 4.29Å; E860-A870 WeakPolarHBondContact CA-O 3.36Å; V861-A870 WeakPolarHBondContact CG2-O 3.49Å; V861-A870 PolarHBondContact N-O 3.35Å; V861-A870 PolarHBondContact O-N 3.01Å; F863-A870 HydrophobicContact CE2-CB 3.69Å; F863-A870 HydrophobicContact CZ-CB 4.32Å
871L89.3Confident88.1Confident105 Ų10531.5 Ų31.555%0.5518%0.183SC..EExtended strand (participates in β ladder)trans-95.2120.3169.6-76.4165000109.5E860E860-L871 HydrophobicContact CB-CD2 3.87Å; E860-L871 HydrophobicContact CG-CD2 4.36Å
872V90.6Very high87.6Confident13 Ų1335.7 Ų35.78%0.07921%0.213CC..EExtended strand (participates in β ladder)trans-124.5158.3-178.9-61.30000111.3A835 P836 T858 V859 V861 L877A835-V872 HydrophobicContact CB-CG2 4.46Å; P836-V872 HydrophobicContact CG-CG1 4.44Å; T858-V872 CarbonylContact C-O 3.6Å; T858-V872 WeakPolarHBondContact CA-O 3.4Å; V859-V872 HydrophobicContact CB-CG2 4.49Å; V859-V872 PolarHBondContact N-O 3Å; V859-V872 WeakPolarHBondContact O-CG2 3.29Å; V859-V872 PolarHBondContact O-N 3.23Å; V861-V872 HydrophobicContact CB-CG2 4.37Å; V861-V872 HydrophobicContact CG1-CG2 3.62Å; V861-V872 HydrophobicContact CG2-CG1 3.99Å; V861-V872 HydrophobicContact CG2-CG2 3.8Å; V872-L877 HydrophobicContact CG2-CD2 3.74Å
873S88.4Confident87.2Confident51 Ų5141.2 Ų41.236%0.35724%0.243SC..EExtended strand (participates in β ladder)trans-70.9138.4174.8-179.70000110.6S875 S876S873-S875 PolarHBondContact O-N 2.94Å; S873-S875 PolarHBondContact OG-OG 2.86Å; S873-S876 PolarHBondContact N-OG 3.41Å; S873-S876 WeakPolarHBondContact O-CB 3.42Å; S873-S876 PolarHBondContact O-N 3.12Å; S873-S876 PolarHBondContact O-OG 3.39Å
874S87.6Confident86.8Confident38 Ų3841.7 Ų41.727%0.26625%0.245SC..G310 helixtrans-57.1-33.4176.258.20000113N857 S876 L877N857-S874 PolarHBondContact O-N 3.43Å; N857-S874 VanDerWaalsContact O-N 3.1Å; N857-S874 PolarHBondContact O-OG 3.04Å; S874-S876 PolarHBondContact O-N 3.34Å; S874-L877 PolarHBondContact O-N 2.88Å
875S87.4Confident86.4Confident91 Ų9145 Ų4564%0.63626%0.263SS*.G310 helixtrans-71.4-16176.358.50000114.4S873 R878S873-S875 PolarHBondContact O-N 2.94Å; S873-S875 PolarHBondContact OG-OG 2.86Å; S875-R878 PolarHBondContact O-NH1 3.16Å; S875-R878 VanDerWaalsContact O-NH1 3.09Å
876S89.5Confident85.8Confident22 Ų2249.1 Ų49.115%0.15430%0.297CS..G310 helixtrans-88.2-8.6-179.372.20000113.2Y846 S873 S874 R878Y846-S876 WeakPolarHBondContact CE1-O 3.43Å; S873-S876 PolarHBondContact N-OG 3.41Å; S873-S876 WeakPolarHBondContact O-CB 3.42Å; S873-S876 PolarHBondContact O-N 3.12Å; S873-S876 PolarHBondContact O-OG 3.39Å; S874-S876 PolarHBondContact O-N 3.34Å; S876-R878 PolarHBondContact O-NH1 3.39Å
877L90.8Very high85.5Confident2 Ų250.9 Ų50.91%0.0131%0.306CS..  trans-72.6145.9178.5-59.1179.2000111.4V823 L827 A835 I851 V859 V861 V872 S874V823-L877 HydrophobicContact CG2-CB 3.84Å; L827-L877 HydrophobicContact CD1-CD1 4.04Å; L827-L877 HydrophobicContact CD2-CD1 3.91Å; A835-L877 HydrophobicContact CB-CD2 3.85Å; I851-L877 HydrophobicContact CD1-CD1 3.77Å; I851-L877 HydrophobicContact CG1-CD1 4.26Å; V859-L877 HydrophobicContact CB-CD1 4.42Å; V859-L877 HydrophobicContact CG1-CD1 4.39Å; V859-L877 HydrophobicContact CG2-CD1 4.26Å; V861-L877 HydrophobicContact CG1-CD2 4.1Å; V872-L877 HydrophobicContact CG2-CD2 3.74Å; S874-L877 PolarHBondContact O-N 2.88Å
878R91.7Very high85.2Confident51 Ų5155.5 Ų55.519%0.19234%0.336CS..EExtended strand (participates in β ladder)trans-126.3155.4177.4-60.1-69.6-179.2-84.9-3.6111L820 S821 C833 L834 Y846 S875 S876L820-R878 HydrophobicContact CB-CB 4.02Å; L820-R878 HydrophobicContact CB-CG 3.79Å; L820-R878 HydrophobicContact CD1-CG 4.29Å; S821-R878 VanDerWaalsContact C-CD 3.48Å; S821-R878 CarbonylContact O-C 3.52Å; S821-R878 WeakPolarHBondContact O-CA 3.16Å; S821-R878 WeakPolarHBondContact O-CB 3.28Å; S821-R878 WeakPolarHBondContact O-CD 3.45Å; C833-R878 WeakPolarHBondContact CB-O 3.38Å; L834-R878 HydrophobicContact CB-CB 3.92Å; L834-R878 PolarHBondContact N-O 2.87Å; L834-R878 PolarHBondContact O-N 3.12Å; Y846-R878 HydrophobicContact CD1-CB 4.47Å; Y846-R878 HydrophobicContact CD1-CG 3.94Å; Y846-R878 HydrophobicContact CE1-CB 4.39Å; Y846-R878 HydrophobicContact CE1-CG 3.45Å; Y846-R878 VanDerWaalsContact CE1-CG 3.45Å; Y846-R878 PolarHBondContact OH-NH2 3.29Å; S875-R878 PolarHBondContact O-NH1 3.16Å; S875-R878 VanDerWaalsContact O-NH1 3.09Å; S876-R878 PolarHBondContact O-NH1 3.39Å
879E89.1Confident85.2Confident63 Ų6358.6 Ų58.629%0.29435%0.349SS..EExtended strand (participates in β ladder)trans-68.2143.5178-64.4-178.9153.300111.1S821 V823 T824 L834 P881S821-E879 PolarHBondContact O-N 3.2Å; S821-E879 PolarHBondContact OG-OE2 3Å; V823-E879 HydrophobicContact CB-CG 4.5Å; V823-E879 HydrophobicContact CG2-CG 4.42Å; T824-E879 WeakPolarHBondContact CB-OE1 3.32Å; T824-E879 VanDerWaalsContact CG2-OE1 3.32Å; T824-E879 WeakPolarHBondContact CG2-OE1 3.44Å; T824-E879 PolarHBondContact N-OE1 3.12Å; T824-E879 VanDerWaalsContact N-OE1 3.07Å; T824-E879 PolarHBondContact OG1-OE1 3.19Å; L834-E879 WeakPolarHBondContact CD1-O 3.38Å; E879-P881 WeakPolarHBondContact O-CD 3.47Å
880L86.3Confident85Confident30 Ų3058 Ų5816%0.15734%0.342CS..  trans-94.9115.7176-178.265.5000109.8L832 L834 R848 L884 L885L832-L880 HydrophobicContact CB-CD2 3.94Å; L834-L880 HydrophobicContact CD2-CD1 3.74Å; L834-L880 HydrophobicContact CG-CD1 3.97Å; R848-L880 HydrophobicContact CG-CD1 3.88Å; L880-L884 HydrophobicContact CD1-CB 4.11Å; L880-L885 HydrophobicContact CD2-CB 4.37Å; L880-L885 HydrophobicContact CD2-CD1 3.86Å
881P84.8Confident84.9Confident49 Ų4957.5 Ų57.532%0.31834%0.338SS..  trans-61.5147.8177.3-25.235000113.3E879 D883 L884 L885E879-P881 WeakPolarHBondContact O-CD 3.47Å; P881-D883 VanDerWaalsContact C-N 3.29Å; P881-D883 PolarHBondContact O-N 2.83Å; P881-L884 HydrophobicContact CB-CD1 4.37Å; P881-L884 HydrophobicContact CG-CD1 4.05Å; P881-L884 PolarHBondContact O-N 2.9Å; P881-L885 PolarHBondContact O-N 2.97Å; P881-L885 VanDerWaalsContact O-N 3.12Å
882S78.2Confident84.9Confident88 Ų8855.4 Ų55.462%0.61533%0.326SS*.Hα-helixtrans-60.5-34.9-177.951.20000113.8L884 L885 A886S882-L884 VanDerWaalsContact C-N 3.33Å; S882-L884 PolarHBondContact O-N 3.42Å; S882-L885 WeakPolarHBondContact O-CB 3.38Å; S882-L885 PolarHBondContact O-N 2.74Å; S882-A886 PolarHBondContact O-N 3.4Å; S882-A886 VanDerWaalsContact O-N 3.15Å
883D80.8Confident84.8Confident126 Ų12656.7 Ų56.767%0.67433%0.331SS*.Hα-helixtrans-67.6-35.3-179-56.8-20000111.8P881P881-D883 VanDerWaalsContact C-N 3.29Å; P881-D883 PolarHBondContact O-N 2.83Å
884L81.6Confident84.8Confident12 Ų1254.2 Ų54.26%0.06331%0.314CS..Hα-helixtrans-79.8-22.2175.8-65.3173.7000112.5L811 I815 R848 L880 P881 S882L811-L884 HydrophobicContact CD1-CD2 3.87Å; I815-L884 HydrophobicContact CG1-CD1 3.82Å; I815-L884 HydrophobicContact CG1-CD2 4.45Å; R848-L884 PolarHBondContact NH1-O 3.33Å; L880-L884 HydrophobicContact CD1-CB 4.11Å; P881-L884 HydrophobicContact CB-CD1 4.37Å; P881-L884 HydrophobicContact CG-CD1 4.05Å; P881-L884 PolarHBondContact O-N 2.9Å; S882-L884 VanDerWaalsContact C-N 3.33Å; S882-L884 PolarHBondContact O-N 3.42Å
885L78.8Confident85Confident80 Ų8055 Ų5542%0.41931%0.313SS..Hα-helixtrans-73.2-33173.5-177.567.7000111.9L832 L880 P881 S882 Q887 F889L832-L885 HydrophobicContact CD1-CD1 3.3Å; L880-L885 HydrophobicContact CD2-CB 4.37Å; L880-L885 HydrophobicContact CD2-CD1 3.86Å; P881-L885 PolarHBondContact O-N 2.97Å; P881-L885 VanDerWaalsContact O-N 3.12Å; S882-L885 WeakPolarHBondContact O-CB 3.38Å; S882-L885 PolarHBondContact O-N 2.74Å; L885-Q887 PolarHBondContact O-N 3.17Å; L885-F889 HydrophobicContact CD1-CZ 4.49Å
886A75.4Confident85.1Confident89 Ų8950.8 Ų50.874%0.73628%0.284SS*.SBendtrans-68.9-20.3179.800000113.6S882S882-A886 PolarHBondContact O-N 3.4Å; S882-A886 VanDerWaalsContact O-N 3.15Å
887Q78Confident85.2Confident74 Ų7450.4 Ų50.435%0.34628%0.282SS..SBendtrans-77.4137.7177.9-60.9-173.11500111.7R848 L885R848-Q887 PolarHBondContact NH1-O 3.39Å; L885-Q887 PolarHBondContact O-N 3.17Å
888P77.8Confident84.9Confident98 Ų9851.4 Ų51.464%0.63629%0.293SS*.PPolyproline II helixtrans-63.3144.9-17926.8-34.1000112.2R848 Q890R848-P888 PolarHBondContact NH2-O 2.68Å; P888-Q890 PolarHBondContact O-NE2 3.26Å
889F85.9Confident84.8Confident79 Ų7950.1 Ų50.135%0.34629%0.289SS..PPolyproline II helixtrans-73.7140.8174.5-54.4-35.5000110.4L832 L864 L885L832-F889 HydrophobicContact CD1-CZ 4.43Å; L864-F889 HydrophobicContact CB-CB 4.31Å; L864-F889 HydrophobicContact CB-CD1 3.91Å; L864-F889 HydrophobicContact CB-CD2 4.47Å; L864-F889 HydrophobicContact CB-CE1 4.4Å; L864-F889 HydrophobicContact CB-CG 3.98Å; L864-F889 HydrophobicContact CD1-CD1 4.13Å; L864-F889 HydrophobicContact CD1-CE1 3.75Å; L864-F889 HydrophobicContact CD1-CE2 4.26Å; L864-F889 HydrophobicContact CD1-CZ 3.83Å; L864-F889 HydrophobicContact CD2-CD2 4.26Å; L864-F889 HydrophobicContact CD2-CE2 4.3Å; L885-F889 HydrophobicContact CD1-CZ 4.49Å
890Q84.3Confident84.6Confident34 Ų3450.2 Ų50.216%0.15929%0.287CS..  trans-91.7-22.4-172.9-56.7-60.2-59.800114D865 P888 H892D865-Q890 HydrophobicContact CB-CB 4.28Å; D865-Q890 PolarHBondContact OD1-N 3.23Å; P888-Q890 PolarHBondContact O-NE2 3.26Å; Q890-H892 PolarHBondContact O-CD2 3.4Å
891A87.6Confident84.7Confident12 Ų1249.3 Ų49.310%0.09928%0.282CS..  trans-77.3133179.700000111.2W796 L864W796-A891 HydrophobicContact CE3-CB 4.12Å; W796-A891 HydrophobicContact CZ3-CB 4.48Å; L864-A891 WeakPolarHBondContact O-CB 3.26Å; L864-A891 PolarHBondContact O-N 2.79Å; L864-A891 VanDerWaalsContact O-N 3.17Å
892H87.7Confident84.9Confident61 Ų6147.1 Ų47.128%0.28227%0.269SS..EExtended strand (participates in β ladder)trans-117.3143.7176.2-66.8-72.5000110.7G797 Q890 F894 M941G797-H892 PolarHBondContact N-O 3.02Å; G797-H892 VanDerWaalsContact N-O 3.08Å; G797-H892 PolarHBondContact O-N 3.16Å; Q890-H892 PolarHBondContact O-CD2 3.4Å; H892-F894 HydrophobicContact CB-CD2 4.31Å; H892-F894 HydrophobicContact CB-CE1 4.43Å; H892-F894 HydrophobicContact CB-CE2 3.54Å; H892-F894 HydrophobicContact CB-CZ 3.61Å; H892-F894 WeakPolarHBondContact O-CD2 3.2Å; H892-F894 WeakPolarHBondContact O-CE2 3.43Å; H892-M941 HydrophobicContact CB-SD 4.29Å
893E88.5Confident85.3Confident40 Ų4044.3 Ų44.319%0.18725%0.248CC..EExtended strand (participates in β ladder)trans-88124.3174.1-163.9174.8175.300108.5H794 W796 V940 M941H794-E893 IonicContact CD2-OE1 3.65Å; H794-E893 IonicContact CE1-OE1 3.36Å; H794-E893 PolarHBondContact CE1-OE1 3.28Å; H794-E893 VanDerWaalsContact CE1-OE1 3.29Å; H794-E893 IonicContact NE2-OE1 3.52Å; H794-E893 PolarHBondContact NE2-OE1 3.4Å; W796-E893 HydrophobicContact CD2-CB 4.22Å; W796-E893 HydrophobicContact CD2-CG 4.38Å; W796-E893 HydrophobicContact CE3-CB 4.04Å; W796-E893 HydrophobicContact CH2-CB 3.66Å; W796-E893 HydrophobicContact CH2-CG 4.24Å; W796-E893 HydrophobicContact CZ2-CB 3.84Å; W796-E893 HydrophobicContact CZ2-CG 3.88Å; W796-E893 HydrophobicContact CZ3-CB 3.78Å; E893-V940 HydrophobicContact CB-CG1 4.44Å; E893-V940 HydrophobicContact CB-CG2 4.39Å; E893-V940 HydrophobicContact CG-CG1 4.17Å; E893-V940 HydrophobicContact CG-CG2 4.13Å; E893-M941 PolarHBondContact O-N 3.18Å
894F89.8Confident85.6Confident0 Ų040.6 Ų40.60%023%0.227CC..EExtended strand (participates in β ladder)trans-117.7142.8-177.3-64.4-84.4000111.2F782 V784 H794 F795 H892 M941 V943F782-F894 HydrophobicContact CE2-CE1 4.18Å; F782-F894 HydrophobicContact CE2-CZ 4.22Å; F782-F894 HydrophobicContact CZ-CE1 4.07Å; V784-F894 HydrophobicContact CG1-CD2 4.44Å; V784-F894 HydrophobicContact CG1-CE2 3.9Å; V784-F894 HydrophobicContact CG1-CZ 4.23Å; V784-F894 HydrophobicContact CG2-CE1 4.32Å; V784-F894 HydrophobicContact CG2-CE2 4.36Å; V784-F894 HydrophobicContact CG2-CZ 3.84Å; H794-F894 WeakPolarHBondContact CA-O 3.5Å; H794-F894 PolarHBondContact CD2-O 3.27Å; F795-F894 HydrophobicContact CD1-CB 4.41Å; F795-F894 HydrophobicContact CD2-CB 3.91Å; F795-F894 HydrophobicContact CD2-CD2 4.19Å; F795-F894 HydrophobicContact CD2-CG 4.41Å; F795-F894 HydrophobicContact CE1-CB 3.95Å; F795-F894 HydrophobicContact CE2-CB 3.42Å; F795-F894 VanDerWaalsContact CE2-CB 3.42Å; F795-F894 AromaticContact CE2-CD2 3.81Å; F795-F894 HydrophobicContact CE2-CD2 3.81Å; F795-F894 AromaticContact CE2-CG 3.77Å; F795-F894 HydrophobicContact CE2-CG 3.77Å; F795-F894 HydrophobicContact CG-CB 4.38Å; F795-F894 HydrophobicContact CZ-CB 3.44Å; F795-F894 VanDerWaalsContact CZ-CB 3.44Å; F795-F894 HydrophobicContact CZ-CG 4.1Å; F795-F894 PolarHBondContact N-O 2.82Å; F795-F894 PolarHBondContact O-N 3.38Å; H892-F894 HydrophobicContact CB-CD2 4.31Å; H892-F894 HydrophobicContact CB-CE1 4.43Å; H892-F894 HydrophobicContact CB-CE2 3.54Å; H892-F894 HydrophobicContact CB-CZ 3.61Å; H892-F894 WeakPolarHBondContact O-CD2 3.2Å; H892-F894 WeakPolarHBondContact O-CE2 3.43Å; F894-M941 CarbonylContact C-O 3.48Å; F894-M941 WeakPolarHBondContact CA-O 3.49Å; F894-M941 HydrophobicContact CD1-CB 3.7Å; F894-M941 HydrophobicContact CD1-SD 4.38Å; F894-M941 HydrophobicContact CE1-CB 3.93Å; F894-M941 HydrophobicContact CE1-CG 4.39Å; F894-M941 HydrophobicContact CE1-SD 3.64Å; F894-M941 HydrophobicContact CZ-SD 4.13Å; F894-V943 HydrophobicContact CB-CG2 4.35Å; F894-V943 HydrophobicContact CD1-CG1 3.7Å; F894-V943 HydrophobicContact CD1-CG2 4.27Å; F894-V943 HydrophobicContact CE1-CG1 4.21Å
895Q90.3Very high85.9Confident54 Ų5440 Ų4025%0.25222%0.224SC..EExtended strand (participates in β ladder)trans-135.1133170.8-175.5164.823.700110.8G793 A897 V940 M941 R942 V943G793-Q895 CarbonylContact O-C 3.58Å; G793-Q895 WeakPolarHBondContact O-CA 3.22Å; Q895-A897 PolarHBondContact O-N 3.26Å; Q895-V940 HydrophobicContact CB-CG1 3.78Å; Q895-M941 PolarHBondContact N-O 3.46Å; Q895-R942 VanDerWaalsContact CD-CZ 3.45Å; Q895-R942 VanDerWaalsContact CD-NH1 3.32Å; Q895-R942 CarbonylContact O-C 3.33Å; Q895-R942 VanDerWaalsContact O-CA 3.23Å; Q895-R942 WeakPolarHBondContact O-CA 3.39Å; Q895-V943 PolarHBondContact O-N 3.14Å
896V91.1Very high86.3Confident3 Ų337.8 Ų37.82%0.01821%0.212CC..EExtended strand (participates in β ladder)trans-67.3130.3178.2178.80000109.6G793 F795 M899 V943 L945 V957G793-V896 PolarHBondContact O-N 3.38Å; F795-V896 HydrophobicContact CE1-CG2 4.29Å; V896-M899 HydrophobicContact CB-CE 3.85Å; V896-M899 HydrophobicContact CB-CG 4.28Å; V896-M899 HydrophobicContact CB-SD 3.78Å; V896-M899 HydrophobicContact CG1-CE 4.35Å; V896-M899 HydrophobicContact CG1-CG 3.95Å; V896-M899 HydrophobicContact CG1-SD 3.59Å; V896-M899 VanDerWaalsContact CG1-SD 3.59Å; V896-M899 HydrophobicContact CG2-CE 4.48Å; V896-V943 CarbonylContact C-O 3.42Å; V896-V943 VanDerWaalsContact CA-O 3.28Å; V896-V943 WeakPolarHBondContact CA-O 3.35Å; V896-L945 HydrophobicContact CG2-CB 4.35Å; V896-L945 HydrophobicContact CG2-CD1 3.34Å; V896-L945 HydrophobicContact CG2-CG 4.33Å; V896-V957 HydrophobicContact CG1-CG2 3.43Å; V896-V957 VanDerWaalsContact CG1-CG2 3.43Å
897A90Very high86.8Confident14 Ų1433.6 Ų33.612%0.11618%0.177CC..SBendtrans-86.6154.1176.600000111.7Q895 M899 Y934 R942 V943 E971Q895-A897 PolarHBondContact O-N 3.26Å; A897-M899 PolarHBondContact O-N 2.98Å; A897-Y934 HydrophobicContact CB-CD1 4.2Å; A897-Y934 HydrophobicContact CB-CG 4.26Å; A897-R942 HydrophobicContact CB-CB 4.34Å; A897-V943 PolarHBondContact N-O 3.43Å; A897-E971 WeakPolarHBondContact CA-OE1 3.49Å; A897-E971 HydrophobicContact CB-CG 4.47Å
898G85.9Confident87.1Confident23 Ų2331.1 Ų31.124%0.23717%0.166CC..SBendtrans75.517.7168.300000115.5K968 A969 E971G898-K968 WeakPolarHBondContact O-CA 3.44Å; G898-A969 CarbonylContact C-O 3.5Å; G898-A969 VanDerWaalsContact CA-O 3.31Å; G898-A969 WeakPolarHBondContact CA-O 3.34Å; G898-A969 PolarHBondContact O-N 3.49Å; G898-E971 PolarHBondContact N-OE1 2.9Å
899M88.3Confident87.2Confident23 Ų2326.8 Ų26.811%0.11314%0.139CC..EExtended strand (participates in β ladder)trans-129.5145.6-179.974171-158.100112.8V792 V896 A897 W912 V957 L960V792-M899 HydrophobicContact CG1-CE 4.22Å; V792-M899 WeakPolarHBondContact O-CE 3.44Å; V896-M899 HydrophobicContact CB-CE 3.85Å; V896-M899 HydrophobicContact CB-CG 4.28Å; V896-M899 HydrophobicContact CB-SD 3.78Å; V896-M899 HydrophobicContact CG1-CE 4.35Å; V896-M899 HydrophobicContact CG1-CG 3.95Å; V896-M899 HydrophobicContact CG1-SD 3.59Å; V896-M899 VanDerWaalsContact CG1-SD 3.59Å; V896-M899 HydrophobicContact CG2-CE 4.48Å; A897-M899 PolarHBondContact O-N 2.98Å; M899-W912 HydrophobicContact CE-CH2 4.26Å; M899-W912 HydrophobicContact CE-CZ2 3.79Å; M899-W912 HydrophobicContact SD-CH2 4.41Å; M899-W912 HydrophobicContact SD-CZ2 4.47Å; M899-V957 HydrophobicContact CB-CG1 3.99Å; M899-V957 HydrophobicContact CB-CG2 4.15Å; M899-V957 HydrophobicContact SD-CG2 4.39Å; M899-L960 HydrophobicContact SD-CD1 4.39Å
900W86.3Confident86.3Confident66 Ų6626.6 Ų26.625%0.2514%0.141CC..EExtended strand (participates in β ladder)trans-133.9151.5174.1-168-109.4000110.6S902 A966 V967 A969 N1073 F1076W900-S902 PolarHBondContact O-N 2.95Å; W900-A966 CarbonylContact O-C 3.6Å; W900-A966 WeakPolarHBondContact O-CA 3.02Å; W900-A966 WeakPolarHBondContact O-CB 3.3Å; W900-V967 PolarHBondContact N-O 3.05Å; W900-V967 PolarHBondContact O-N 3.31Å; W900-A969 HydrophobicContact CB-CB 3.72Å; W900-N1073 VanDerWaalsContact CH2-ND2 3.32Å; W900-N1073 WeakPolarHBondContact CH2-ND2 3.47Å; W900-F1076 HydrophobicContact CB-CZ 4.17Å; W900-F1076 HydrophobicContact CD2-CE1 4.49Å; W900-F1076 AromaticContact CD2-CE2 3.55Å; W900-F1076 HydrophobicContact CD2-CE2 3.55Å; W900-F1076 AromaticContact CD2-CZ 3.42Å; W900-F1076 HydrophobicContact CD2-CZ 3.42Å; W900-F1076 VanDerWaalsContact CD2-CZ 3.42Å; W900-F1076 AromaticContact CE2-CE2 3.63Å; W900-F1076 AromaticContact CE2-CZ 3.91Å; W900-F1076 AromaticContact CE3-CE2 3.61Å; W900-F1076 HydrophobicContact CE3-CE2 3.61Å; W900-F1076 AromaticContact CE3-CZ 3.59Å; W900-F1076 HydrophobicContact CE3-CZ 3.59Å; W900-F1076 HydrophobicContact CG-CE1 4.39Å; W900-F1076 HydrophobicContact CG-CE2 4.25Å; W900-F1076 AromaticContact CG-CZ 3.69Å; W900-F1076 HydrophobicContact CG-CZ 3.69Å; W900-F1076 AromaticContact CH2-CE2 3.86Å; W900-F1076 HydrophobicContact CH2-CE2 3.86Å; W900-F1076 HydrophobicContact CZ2-CD2 4.46Å; W900-F1076 AromaticContact CZ2-CE2 3.79Å; W900-F1076 HydrophobicContact CZ2-CE2 3.79Å; W900-F1076 HydrophobicContact CZ2-CZ 4.5Å; W900-F1076 AromaticContact CZ3-CE2 3.76Å; W900-F1076 HydrophobicContact CZ3-CE2 3.76Å; W900-F1076 HydrophobicContact CZ3-CZ 4.21Å
901P88.1Confident85.9Confident10 Ų1027.7 Ų27.77%0.06515%0.146CC..EExtended strand (participates in β ladder)trans-61.2136.1173.9-15.225.7000112I906 K911 W912P901-I906 HydrophobicContact CB-CG1 4Å; P901-K911 WeakPolarHBondContact CB-O 3.26Å; P901-W912 HydrophobicContact CB-CD2 4.01Å; P901-W912 HydrophobicContact CB-CE3 3.98Å; P901-W912 HydrophobicContact CB-CH2 4.17Å; P901-W912 HydrophobicContact CB-CZ2 4.19Å; P901-W912 HydrophobicContact CB-CZ3 4.08Å; P901-W912 HydrophobicContact CG-CD2 3.92Å; P901-W912 HydrophobicContact CG-CE3 4.34Å; P901-W912 HydrophobicContact CG-CG 4.47Å; P901-W912 HydrophobicContact CG-CH2 4.15Å; P901-W912 HydrophobicContact CG-CZ2 3.69Å; P901-W912 HydrophobicContact CG-CZ3 4.46Å
902S88.8Confident85.8Confident4 Ų428.7 Ų28.73%0.02815%0.147CC..  trans-65161170.963.60000112.1W900 Q904 S905 I906 G964 H965W900-S902 PolarHBondContact O-N 2.95Å; S902-Q904 PolarHBondContact O-N 3.01Å; S902-Q904 VanDerWaalsContact O-N 3.15Å; S902-S905 WeakPolarHBondContact O-CB 3.3Å; S902-S905 PolarHBondContact O-N 3.36Å; S902-S905 PolarHBondContact OG-N 2.95Å; S902-S905 VanDerWaalsContact OG-N 3.13Å; S902-S905 PolarHBondContact OG-OG 3.36Å; S902-I906 WeakPolarHBondContact O-CG1 3.45Å; S902-I906 PolarHBondContact O-N 2.94Å; S902-G964 VanDerWaalsContact CB-O 3.28Å; S902-G964 WeakPolarHBondContact CB-O 3.26Å; S902-G964 PolarHBondContact OG-O 2.91Å; S902-H965 WeakPolarHBondContact CB-O 3.18Å; S902-H965 PolarHBondContact N-O 2.83Å; S902-H965 PolarHBondContact OG-O 2.89Å
903P86.1Confident85.7Confident28 Ų2826 Ų2618%0.18214%0.135CC..Hα-helixtrans-51.6-36.4169.5-27.535.5000112.8I906 I907 I1107P903-I906 PolarHBondContact O-N 3.14Å; P903-I907 WeakPolarHBondContact O-CB 3.38Å; P903-I907 WeakPolarHBondContact O-CD1 3.46Å; P903-I907 WeakPolarHBondContact O-CG1 3.47Å; P903-I907 PolarHBondContact O-N 3.08Å; P903-I1107 HydrophobicContact CB-CG2 3.97Å; P903-I1107 HydrophobicContact CG-CG2 4.05Å
904Q88Confident85.5Confident49 Ų4926.2 Ų26.223%0.22914%0.141CC..Hα-helixtrans-59.3-48.1174.2-177169.6-15.900112.3S902 I906 I907 L908 I1214S902-Q904 PolarHBondContact O-N 3.01Å; S902-Q904 VanDerWaalsContact O-N 3.15Å; Q904-I906 VanDerWaalsContact C-N 3.33Å; Q904-I907 PolarHBondContact O-N 3.42Å; Q904-L908 HydrophobicContact CG-CD1 3.76Å; Q904-L908 HydrophobicContact CG-CG 4.47Å; Q904-L908 VanDerWaalsContact O-CB 3.28Å; Q904-L908 WeakPolarHBondContact O-CB 3.4Å; Q904-L908 VanDerWaalsContact O-CG 3.29Å; Q904-L908 WeakPolarHBondContact O-CG 3.37Å; Q904-L908 PolarHBondContact O-N 3.24Å; Q904-I1214 HydrophobicContact CB-CD1 4.27Å; Q904-I1214 HydrophobicContact CB-CG1 4.45Å; Q904-I1214 HydrophobicContact CB-CG2 3.66Å; Q904-I1214 HydrophobicContact CG-CD1 4.21Å; Q904-I1214 HydrophobicContact CG-CG2 4.04Å
905S87.3Confident85.3Confident0 Ų033.9 Ų33.90%017%0.17CC..Hα-helixtrans-66.4-35.2179.5-75.40000112.4S902 G909 K911 H965S902-S905 WeakPolarHBondContact O-CB 3.3Å; S902-S905 PolarHBondContact O-N 3.36Å; S902-S905 PolarHBondContact OG-N 2.95Å; S902-S905 VanDerWaalsContact OG-N 3.13Å; S902-S905 PolarHBondContact OG-OG 3.36Å; S905-G909 VanDerWaalsContact O-CA 3.26Å; S905-G909 WeakPolarHBondContact O-CA 3.46Å; S905-G909 PolarHBondContact O-N 2.94Å; S905-K911 CarbonylContact C-O 3.59Å; S905-K911 VanDerWaalsContact C-O 3.29Å; S905-H965 PolarHBondContact OG-O 3.47Å
906I86.8Confident85.1Confident32 Ų3231.3 Ų31.316%0.16416%0.158CC..Hα-helixtrans-70.6-40.8176.3-63.1170.2000111.4P901 S902 P903 Q904 P1105 I1107P901-I906 HydrophobicContact CB-CG1 4Å; S902-I906 WeakPolarHBondContact O-CG1 3.45Å; S902-I906 PolarHBondContact O-N 2.94Å; P903-I906 PolarHBondContact O-N 3.14Å; Q904-I906 VanDerWaalsContact C-N 3.33Å; I906-P1105 HydrophobicContact CG2-CB 3.91Å; I906-I1107 HydrophobicContact CB-CD1 4.46Å; I906-I1107 HydrophobicContact CB-CG1 4.43Å; I906-I1107 HydrophobicContact CD1-CG1 4.15Å; I906-I1107 HydrophobicContact CG2-CD1 4.05Å; I906-I1107 HydrophobicContact CG2-CG1 4.06Å
907I86.7Confident85Confident1 Ų135.7 Ų35.71%0.00517%0.174CC..Hα-helixtrans-73.7-39.6-178.5-69.9164.5000111.3N615 R616 F619 P903 Q904 I1107 F1213 I1214N615-I907 CarbonylContact C-O 3.57Å; N615-I907 VanDerWaalsContact C-O 3.23Å; R616-I907 WeakPolarHBondContact CA-O 3.36Å; R616-I907 PolarHBondContact N-O 3.45Å; F619-I907 HydrophobicContact CB-CG2 4.17Å; F619-I907 HydrophobicContact CD1-CB 4.37Å; F619-I907 HydrophobicContact CD1-CD1 4.21Å; F619-I907 HydrophobicContact CD1-CG1 3.84Å; F619-I907 HydrophobicContact CD1-CG2 3.7Å; F619-I907 HydrophobicContact CD2-CG1 3.99Å; F619-I907 HydrophobicContact CE1-CD1 3.77Å; F619-I907 HydrophobicContact CE1-CG1 3.86Å; F619-I907 HydrophobicContact CE1-CG2 4.33Å; F619-I907 HydrophobicContact CE2-CD1 4.42Å; F619-I907 HydrophobicContact CE2-CG1 4.03Å; F619-I907 HydrophobicContact CG-CB 4.4Å; F619-I907 HydrophobicContact CG-CG1 3.89Å; F619-I907 HydrophobicContact CG-CG2 4.01Å; F619-I907 HydrophobicContact CZ-CD1 3.9Å; F619-I907 HydrophobicContact CZ-CG1 3.97Å; P903-I907 WeakPolarHBondContact O-CB 3.38Å; P903-I907 WeakPolarHBondContact O-CD1 3.46Å; P903-I907 WeakPolarHBondContact O-CG1 3.47Å; P903-I907 PolarHBondContact O-N 3.08Å; Q904-I907 PolarHBondContact O-N 3.42Å; I907-I1107 HydrophobicContact CD1-CD1 4.13Å; I907-I1107 HydrophobicContact CG1-CD1 3.91Å; I907-F1213 HydrophobicContact CD1-CB 3.64Å; I907-I1214 HydrophobicContact CB-CD1 4.38Å; I907-I1214 HydrophobicContact CD1-CD1 4.18Å; I907-I1214 HydrophobicContact CD1-CG1 3.66Å; I907-I1214 HydrophobicContact CG2-CD1 4.35Å
908L84.1Confident84.9Confident23 Ų2339.7 Ų39.712%0.1219%0.193CC..Hα-helixtrans-90.9-6.3-176.6-59.3-178.9000113.2T612 N615 R616 Q904T612-L908 HydrophobicContact CG2-CB 4.01Å; T612-L908 HydrophobicContact CG2-CD2 4.04Å; T612-L908 HydrophobicContact CG2-CG 4.4Å; N615-L908 WeakPolarHBondContact CB-O 3.23Å; N615-L908 PolarHBondContact ND2-O 3.45Å; R616-L908 HydrophobicContact CB-CD2 4.26Å; Q904-L908 HydrophobicContact CG-CD1 3.76Å; Q904-L908 HydrophobicContact CG-CG 4.47Å; Q904-L908 VanDerWaalsContact O-CB 3.28Å; Q904-L908 WeakPolarHBondContact O-CB 3.4Å; Q904-L908 VanDerWaalsContact O-CG 3.29Å; Q904-L908 WeakPolarHBondContact O-CG 3.37Å; Q904-L908 PolarHBondContact O-N 3.24Å
909G78.8Confident85Confident6 Ų639.8 Ų39.86%0.06219%0.191CC..SBendtrans-135.8176.6-173.300000113.6N615 S905 W912N615-G909 VanDerWaalsContact ND2-CA 3.3Å; N615-G909 WeakPolarHBondContact ND2-CA 3.31Å; S905-G909 VanDerWaalsContact O-CA 3.26Å; S905-G909 WeakPolarHBondContact O-CA 3.46Å; S905-G909 PolarHBondContact O-N 2.94Å; G909-W912 WeakPolarHBondContact CA-O 3.33Å
910N67.8Low85.1Confident75 Ų7538.7 Ų38.740%0.40119%0.185SC..SBendtrans-97.229.4169.3-159.240.9000111.5K618K618-N910 PolarHBondContact NZ-OD1 2.78Å
911K75.6Confident85.2Confident58 Ų5837.2 Ų37.225%0.25218%0.183SC..SBendtrans151.4-60175.5-89.6168-168.6-169.20108.1S704 G705 P901 S905S704-K911 PolarHBondContact O-NZ 2.8Å; S704-K911 WeakPolarHBondContact OG-CD 3.48Å; S704-K911 WeakPolarHBondContact OG-CE 3.24Å; S704-K911 PolarHBondContact OG-NZ 3.4Å; G705-K911 VanDerWaalsContact N-NZ 3.11Å; P901-K911 WeakPolarHBondContact CB-O 3.26Å; S905-K911 CarbonylContact C-O 3.59Å; S905-K911 VanDerWaalsContact C-O 3.29Å
912W85.3Confident85.3Confident32 Ų3242 Ų4212%0.12121%0.213CC..SBendtrans-109144.4173.4-65105.2000111.6V792 M899 P901 G909 A916 H965 A966V792-W912 HydrophobicContact CB-CB 4.27Å; V792-W912 HydrophobicContact CB-CD2 3.55Å; V792-W912 HydrophobicContact CB-CE3 4.03Å; V792-W912 HydrophobicContact CB-CG 3.64Å; V792-W912 HydrophobicContact CB-CZ2 4.34Å; V792-W912 HydrophobicContact CG1-CD2 3.89Å; V792-W912 HydrophobicContact CG1-CE3 3.9Å; V792-W912 HydrophobicContact CG1-CG 4.49Å; V792-W912 HydrophobicContact CG1-CH2 4.13Å; V792-W912 HydrophobicContact CG1-CZ2 4.12Å; V792-W912 HydrophobicContact CG1-CZ3 4Å; V792-W912 HydrophobicContact CG2-CB 3.74Å; V792-W912 HydrophobicContact CG2-CD2 3.87Å; V792-W912 HydrophobicContact CG2-CE3 4.17Å; V792-W912 HydrophobicContact CG2-CG 3.68Å; M899-W912 HydrophobicContact CE-CH2 4.26Å; M899-W912 HydrophobicContact CE-CZ2 3.79Å; M899-W912 HydrophobicContact SD-CH2 4.41Å; M899-W912 HydrophobicContact SD-CZ2 4.47Å; P901-W912 HydrophobicContact CB-CD2 4.01Å; P901-W912 HydrophobicContact CB-CE3 3.98Å; P901-W912 HydrophobicContact CB-CH2 4.17Å; P901-W912 HydrophobicContact CB-CZ2 4.19Å; P901-W912 HydrophobicContact CB-CZ3 4.08Å; P901-W912 HydrophobicContact CG-CD2 3.92Å; P901-W912 HydrophobicContact CG-CE3 4.34Å; P901-W912 HydrophobicContact CG-CG 4.47Å; P901-W912 HydrophobicContact CG-CH2 4.15Å; P901-W912 HydrophobicContact CG-CZ2 3.69Å; P901-W912 HydrophobicContact CG-CZ3 4.46Å; G909-W912 WeakPolarHBondContact CA-O 3.33Å; W912-A916 HydrophobicContact CE3-CB 4.07Å; W912-H965 VanDerWaalsContact CZ3-O 3.26Å; W912-H965 WeakPolarHBondContact CZ3-O 3.37Å; W912-A966 HydrophobicContact CH2-CB 3.78Å; W912-A966 HydrophobicContact CZ3-CB 3.88Å
913S85.8Confident85.1Confident4 Ų443.1 Ų43.13%0.02822%0.217CC..  trans-74154.617365.50000111.1R915 A916 R917S913-R915 PolarHBondContact O-N 2.94Å; S913-A916 WeakPolarHBondContact O-CB 3.43Å; S913-A916 PolarHBondContact O-N 3.39Å; S913-A916 VanDerWaalsContact O-N 3.12Å; S913-A916 WeakPolarHBondContact OG-CB 3.29Å; S913-A916 PolarHBondContact OG-N 2.9Å; S913-A916 VanDerWaalsContact OG-N 3.16Å; S913-R917 PolarHBondContact O-N 3.02Å; S913-R917 VanDerWaalsContact O-N 3.07Å
914S84.3Confident85Confident45 Ų4541.8 Ų41.832%0.31521%0.209SC..Hα-helixtrans-54.6-41.8172.946.90000111.5T612 A916 R917 D918T612-S914 PolarHBondContact OG1-OG 2.81Å; S914-A916 PolarHBondContact O-N 3.01Å; S914-R917 WeakPolarHBondContact O-CB 3.38Å; S914-R917 PolarHBondContact O-N 3.17Å; S914-D918 VanDerWaalsContact O-CG 3.24Å; S914-D918 PolarHBondContact O-N 3.46Å
915R85.6Confident84.6Confident162 Ų16245.6 Ų45.661%0.61123%0.225SC*.Hα-helixtrans-59.1-44.1175.4-65.4-176.1-178.6172.20.4112.9S913 R917 D918 C919S913-R915 PolarHBondContact O-N 2.94Å; R915-R917 VanDerWaalsContact C-N 3.32Å; R915-R917 PolarHBondContact O-N 3.33Å; R915-D918 PolarHBondContact O-N 3.06Å; R915-C919 VanDerWaalsContact O-CB 3.23Å; R915-C919 WeakPolarHBondContact O-CB 3.41Å; R915-C919 PolarHBondContact O-N 3.4Å
916A87.6Confident83.8Confident0 Ų053.8 Ų53.80%026%0.263CS..Hα-helixtrans-63.1-40.6176.500000111.6V792 W912 S913 S914 F920 H965V792-A916 HydrophobicContact CG2-CB 4.1Å; W912-A916 HydrophobicContact CE3-CB 4.07Å; S913-A916 WeakPolarHBondContact O-CB 3.43Å; S913-A916 PolarHBondContact O-N 3.39Å; S913-A916 VanDerWaalsContact O-N 3.12Å; S913-A916 WeakPolarHBondContact OG-CB 3.29Å; S913-A916 PolarHBondContact OG-N 2.9Å; S913-A916 VanDerWaalsContact OG-N 3.16Å; S914-A916 PolarHBondContact O-N 3.01Å; A916-F920 WeakPolarHBondContact O-CB 3.43Å; A916-F920 PolarHBondContact O-N 3.22Å; A916-H965 HydrophobicContact CB-CB 3.87Å
917R88.2Confident83.1Confident94 Ų9457.5 Ų57.536%0.35528%0.279SS..Hα-helixtrans-63.4-49.3175-172.5-175179.81025.9111.8V789 I790 V792 S913 S914 R915 C919 F920 V921V789-R917 PolarHBondContact O-NH2 2.92Å; I790-R917 PolarHBondContact O-NH1 3.03Å; I790-R917 PolarHBondContact O-NH2 3.49Å; V792-R917 HydrophobicContact CG2-CB 4.08Å; S913-R917 PolarHBondContact O-N 3.02Å; S913-R917 VanDerWaalsContact O-N 3.07Å; S914-R917 WeakPolarHBondContact O-CB 3.38Å; S914-R917 PolarHBondContact O-N 3.17Å; R915-R917 VanDerWaalsContact C-N 3.32Å; R915-R917 PolarHBondContact O-N 3.33Å; R917-C919 VanDerWaalsContact C-N 3.29Å; R917-C919 PolarHBondContact O-N 3.29Å; R917-F920 PolarHBondContact O-N 2.72Å; R917-V921 HydrophobicContact CG-CG2 4.32Å; R917-V921 WeakPolarHBondContact O-CB 3.34Å; R917-V921 VanDerWaalsContact O-CG2 3.23Å; R917-V921 WeakPolarHBondContact O-CG2 3.46Å; R917-V921 PolarHBondContact O-N 3.42Å
918D88.2Confident82.9Confident98 Ų9861 Ų6152%0.52430%0.304SS..Hα-helixtrans-63.8-38.8-179.4-66.3-22.8000111.1S914 R915 T922S914-D918 VanDerWaalsContact O-CG 3.24Å; S914-D918 PolarHBondContact O-N 3.46Å; R915-D918 PolarHBondContact O-N 3.06Å; D918-T922 VanDerWaalsContact O-CB 3.31Å; D918-T922 WeakPolarHBondContact O-CB 3.32Å; D918-T922 PolarHBondContact O-N 2.78Å; D918-T922 PolarHBondContact O-OG1 3.02Å
919C88.1Confident83.1Confident26 Ų2660 Ų6018%0.17630%0.299CS..Hα-helixtrans-62.7-51.5174.6-163.70000111.1R915 R917 V921 T922 M923 E963R915-C919 VanDerWaalsContact O-CB 3.23Å; R915-C919 WeakPolarHBondContact O-CB 3.41Å; R915-C919 PolarHBondContact O-N 3.4Å; R917-C919 VanDerWaalsContact C-N 3.29Å; R917-C919 PolarHBondContact O-N 3.29Å; C919-V921 PolarHBondContact O-N 2.75Å; C919-T922 PolarHBondContact O-N 3.06Å; C919-M923 WeakPolarHBondContact O-CG 3.44Å; C919-M923 PolarHBondContact O-N 2.76Å; C919-M923 WeakPolarHBondContact SG-CE 3.46Å; C919-E963 PolarHBondContact SG-OE2 2.96Å
920F90.4Very high83.6Confident0 Ų062.3 Ų62.30%031%0.309CS..Hα-helixtrans-58.5-47.3176.7-178.1-98.7000112.1V789 V792 F795 A916 R917 T922 M923 V924 L945 V956 L960V789-F920 HydrophobicContact CG1-CD1 3.86Å; V789-F920 HydrophobicContact CG1-CE1 3.88Å; V789-F920 HydrophobicContact CG2-CE1 4.26Å; V792-F920 HydrophobicContact CG1-CB 4.19Å; V792-F920 HydrophobicContact CG1-CD2 4.39Å; V792-F920 HydrophobicContact CG1-CG 4.29Å; V792-F920 HydrophobicContact CG2-CB 4.43Å; F795-F920 HydrophobicContact CD1-CE1 4.33Å; F795-F920 AromaticContact CD1-CZ 3.95Å; F795-F920 HydrophobicContact CD1-CZ 3.95Å; F795-F920 HydrophobicContact CE1-CZ 4.24Å; A916-F920 WeakPolarHBondContact O-CB 3.43Å; A916-F920 PolarHBondContact O-N 3.22Å; R917-F920 PolarHBondContact O-N 2.72Å; F920-T922 VanDerWaalsContact C-N 3.32Å; F920-T922 PolarHBondContact O-N 2.9Å; F920-M923 WeakPolarHBondContact O-CB 3.47Å; F920-M923 PolarHBondContact O-N 3.07Å; F920-M923 VanDerWaalsContact O-N 3.13Å; F920-V924 HydrophobicContact CD1-CG2 4.27Å; F920-V924 HydrophobicContact CD2-CG1 4.49Å; F920-V924 HydrophobicContact CE1-CG1 4.18Å; F920-V924 HydrophobicContact CE1-CG2 4.02Å; F920-V924 HydrophobicContact CE2-CG1 4.04Å; F920-V924 HydrophobicContact CZ-CG1 3.86Å; F920-V924 WeakPolarHBondContact O-CG2 3.26Å; F920-V924 PolarHBondContact O-N 3.32Å; F920-V924 VanDerWaalsContact O-N 3.12Å; F920-L945 HydrophobicContact CE2-CD1 4.38Å; F920-L945 HydrophobicContact CZ-CD1 4.33Å; F920-V956 HydrophobicContact CD2-CG1 3.89Å; F920-V956 HydrophobicContact CE2-CG1 3.93Å; F920-L960 HydrophobicContact CD2-CD1 4.34Å
921V88.8Confident84.7Confident35 Ų3558.8 Ų58.821%0.21229%0.29CS..Hα-helixtrans-59.4-43.1177.5170.80000110.9V789 R917 C919 M923 V924 K925V789-V921 HydrophobicContact CB-CG2 4.17Å; V789-V921 HydrophobicContact CG1-CG2 3.95Å; V789-V921 HydrophobicContact CG2-CG2 4.31Å; R917-V921 HydrophobicContact CG-CG2 4.32Å; R917-V921 WeakPolarHBondContact O-CB 3.34Å; R917-V921 VanDerWaalsContact O-CG2 3.23Å; R917-V921 WeakPolarHBondContact O-CG2 3.46Å; R917-V921 PolarHBondContact O-N 3.42Å; C919-V921 PolarHBondContact O-N 2.75Å; V921-M923 VanDerWaalsContact C-N 3.26Å; V921-M923 PolarHBondContact O-N 3.01Å; V921-V924 PolarHBondContact O-N 3.01Å; V921-K925 HydrophobicContact CG1-CB 4.3Å; V921-K925 HydrophobicContact CG1-CD 4.19Å; V921-K925 WeakPolarHBondContact O-CB 3.49Å; V921-K925 PolarHBondContact O-N 2.82Å
922T88.2Confident85.4Confident111 Ų11156.4 Ų56.468%0.68128%0.281SS*.Hα-helixtrans-63.7-33.1178.4-57.20000112.1D918 C919 F920D918-T922 VanDerWaalsContact O-CB 3.31Å; D918-T922 WeakPolarHBondContact O-CB 3.32Å; D918-T922 PolarHBondContact O-N 2.78Å; D918-T922 PolarHBondContact O-OG1 3.02Å; C919-T922 PolarHBondContact O-N 3.06Å; F920-T922 VanDerWaalsContact C-N 3.32Å; F920-T922 PolarHBondContact O-N 2.9Å
923M85.6Confident85.6Confident26 Ų2654.9 Ų54.913%0.12828%0.275CS..Hα-helixtrans-71.5-36176.1-67.5-175.2-151.800113.3C919 F920 V921 L947 V956 I959 L960C919-M923 WeakPolarHBondContact O-CG 3.44Å; C919-M923 PolarHBondContact O-N 2.76Å; C919-M923 WeakPolarHBondContact SG-CE 3.46Å; F920-M923 WeakPolarHBondContact O-CB 3.47Å; F920-M923 PolarHBondContact O-N 3.07Å; F920-M923 VanDerWaalsContact O-N 3.13Å; V921-M923 VanDerWaalsContact C-N 3.26Å; V921-M923 PolarHBondContact O-N 3.01Å; M923-L947 HydrophobicContact CB-CD1 4.12Å; M923-L947 HydrophobicContact CG-CD1 4.4Å; M923-L947 HydrophobicContact SD-CD1 4.28Å; M923-V956 HydrophobicContact SD-CG1 4.12Å; M923-I959 HydrophobicContact CE-CB 4.16Å; M923-I959 HydrophobicContact CE-CG2 3.43Å; M923-I959 VanDerWaalsContact CE-CG2 3.43Å; M923-I959 HydrophobicContact SD-CB 4.47Å; M923-I959 HydrophobicContact SD-CD1 4.2Å; M923-I959 HydrophobicContact SD-CG2 4.21Å; M923-L960 HydrophobicContact CE-CD2 4.34Å
924V84.9Confident85.8Confident1 Ų157.4 Ų57.41%0.00629%0.285CS..Hα-helixtrans-102.8-20.4-170-58.50000114.8I786 V789 F920 V921 H926 Q927I786-V924 HydrophobicContact CD1-CB 3.67Å; I786-V924 HydrophobicContact CD1-CG1 3.81Å; I786-V924 HydrophobicContact CD1-CG2 4.3Å; I786-V924 HydrophobicContact CG2-CG2 4.31Å; V789-V924 HydrophobicContact CG2-CG2 3.81Å; F920-V924 HydrophobicContact CD1-CG2 4.27Å; F920-V924 HydrophobicContact CD2-CG1 4.49Å; F920-V924 HydrophobicContact CE1-CG1 4.18Å; F920-V924 HydrophobicContact CE1-CG2 4.02Å; F920-V924 HydrophobicContact CE2-CG1 4.04Å; F920-V924 HydrophobicContact CZ-CG1 3.86Å; F920-V924 WeakPolarHBondContact O-CG2 3.26Å; F920-V924 PolarHBondContact O-N 3.32Å; F920-V924 VanDerWaalsContact O-N 3.12Å; V921-V924 PolarHBondContact O-N 3.01Å; V924-H926 PolarHBondContact O-N 3.47Å; V924-Q927 PolarHBondContact O-N 3.3Å
925K78.4Confident86Confident128 Ų12855.3 Ų55.356%0.55727%0.27SS*.THydrogen-bonded Turntrans-70.9128-172.5-169.3-179.1-180-178.80111.1V921 Q927V921-K925 HydrophobicContact CG1-CB 4.3Å; V921-K925 HydrophobicContact CG1-CD 4.19Å; V921-K925 WeakPolarHBondContact O-CB 3.49Å; V921-K925 PolarHBondContact O-N 2.82Å; K925-Q927 VanDerWaalsContact C-N 3.27Å; K925-Q927 PolarHBondContact O-N 2.85Å
926H70.1Confident85.9Confident173 Ų17349 Ų4980%0.80125%0.248SC*.THydrogen-bonded Turntrans62.721.9-179.2-52.3-60.9000115.6V924V924-H926 PolarHBondContact O-N 3.47Å
927Q73.1Confident85.5Confident110 Ų11049.6 Ų49.651%0.51425%0.251SS..  trans-123.1138.1174.3-62.5-169.40.800111V924 K925V924-Q927 PolarHBondContact O-N 3.3Å; K925-Q927 VanDerWaalsContact C-N 3.27Å; K925-Q927 PolarHBondContact O-N 2.85Å
928S82.3Confident85Confident75 Ų7548.8 Ų48.852%0.52425%0.248SC..EExtended strand (participates in β ladder)trans-75.6124.4166.6-54.30000108.6N785N785-S928 WeakPolarHBondContact OD1-CB 3.45Å; N785-S928 PolarHBondContact OD1-OG 2.95Å
929V87.9Confident84.3Confident1 Ų147.1 Ų47.11%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-111.6145.4-174.2-66.40000110.7V783 V784 I786 V931 L945 L947V783-V929 CarbonylContact C-O 3.59Å; V783-V929 WeakPolarHBondContact CA-O 3.44Å; V784-V929 PolarHBondContact N-O 2.89Å; V784-V929 WeakPolarHBondContact O-CG2 3.44Å; V784-V929 PolarHBondContact O-N 3.29Å; I786-V929 HydrophobicContact CD1-CG1 4.48Å; I786-V929 HydrophobicContact CD1-CG2 3.6Å; I786-V929 HydrophobicContact CG1-CG2 3.87Å; V929-V931 HydrophobicContact CG2-CG1 4.3Å; V929-L945 HydrophobicContact CB-CD2 3.72Å; V929-L945 HydrophobicContact CG1-CD2 4.27Å; V929-L945 HydrophobicContact CG2-CD2 3.57Å; V929-L947 HydrophobicContact CG1-CD2 3.72Å
930I88.9Confident84.1Confident55 Ų5546.8 Ų46.828%0.28225%0.252SS..EExtended strand (participates in β ladder)trans-85.3126175.2-59171000107.2L781 V783 L946L781-I930 HydrophobicContact CD2-CG2 3.76Å; V783-I930 HydrophobicContact CG2-CG1 4.44Å; I930-L946 HydrophobicContact CB-CB 4.19Å; I930-L946 HydrophobicContact CG2-CB 4.5Å; I930-L946 HydrophobicContact CG2-CD1 4.49Å; I930-L946 PolarHBondContact N-O 2.81Å; I930-L946 VanDerWaalsContact N-O 3.16Å; I930-L946 PolarHBondContact O-N 3.19Å
931V90.5Very high84Confident0 Ų047.2 Ų47.20%025%0.254CS..EExtended strand (participates in β ladder)trans-115.6140.9175.7-60.10000110.2L781 F782 V784 V929 V943 E944 L945L781-V931 WeakPolarHBondContact CA-O 3.43Å; F782-V931 HydrophobicContact CD1-CG2 4.15Å; F782-V931 HydrophobicContact CD2-CG2 3.69Å; F782-V931 HydrophobicContact CE1-CG2 3.95Å; F782-V931 HydrophobicContact CE2-CG2 3.47Å; F782-V931 VanDerWaalsContact CE2-CG2 3.47Å; F782-V931 HydrophobicContact CG-CG2 4.03Å; F782-V931 HydrophobicContact CZ-CG2 3.61Å; F782-V931 PolarHBondContact N-O 2.77Å; F782-V931 WeakPolarHBondContact O-CG2 3.28Å; F782-V931 PolarHBondContact O-N 3.38Å; V784-V931 HydrophobicContact CB-CG1 4.25Å; V784-V931 HydrophobicContact CB-CG2 4.29Å; V784-V931 HydrophobicContact CG2-CG1 4.27Å; V784-V931 HydrophobicContact CG2-CG2 3.49Å; V784-V931 VanDerWaalsContact CG2-CG2 3.49Å; V929-V931 HydrophobicContact CG2-CG1 4.3Å; V931-V943 HydrophobicContact CB-CB 4.17Å; V931-V943 HydrophobicContact CB-CG1 4.27Å; V931-V943 HydrophobicContact CB-CG2 4.44Å; V931-V943 HydrophobicContact CG1-CG2 4.34Å; V931-E944 WeakPolarHBondContact CA-O 3.48Å; V931-L945 HydrophobicContact CG1-CD2 4.01Å; V931-L945 HydrophobicContact CG1-CG 4.21Å
932S90.6Very high84Confident8 Ų847.5 Ų47.56%0.05625%0.251CS..EExtended strand (participates in β ladder)trans-114.5116.11721690000108.4R780 Y934 V943 E944R780-S932 WeakPolarHBondContact O-CA 3.36Å; S932-Y934 PolarHBondContact O-N 2.94Å; S932-V943 CarbonylContact O-C 3.55Å; S932-V943 VanDerWaalsContact O-CA 3.24Å; S932-V943 WeakPolarHBondContact O-CA 3.31Å; S932-E944 PolarHBondContact N-O 2.98Å; S932-E944 PolarHBondContact O-N 2.71Å
933L90.4Very high84.2Confident0 Ų042.2 Ų42.20%022%0.219CC..EExtended strand (participates in β ladder)trans-68123.5-179.6-176.563000110.3P777 R780 F782 I936 M941 V943 L982P777-L933 HydrophobicContact CG-CD2 4.17Å; R780-L933 WeakPolarHBondContact CD-O 3.39Å; R780-L933 HydrophobicContact CG-CB 4.1Å; R780-L933 WeakPolarHBondContact CG-O 3.42Å; R780-L933 PolarHBondContact NE-O 3Å; R780-L933 PolarHBondContact O-N 2.82Å; F782-L933 HydrophobicContact CE1-CB 4.3Å; L933-I936 HydrophobicContact CD1-CG1 4.13Å; L933-I936 HydrophobicContact CD2-CD1 4.37Å; L933-I936 HydrophobicContact CD2-CG1 4.44Å; L933-M941 HydrophobicContact CD1-CB 3.88Å; L933-M941 HydrophobicContact CD1-CG 4.1Å; L933-M941 HydrophobicContact CD1-SD 4.47Å; L933-V943 HydrophobicContact CD1-CG1 4.28Å; L933-L982 HydrophobicContact CD2-CD1 3.69Å; L933-L982 HydrophobicContact CG-CD1 3.91Å
934Y89.3Confident84.5Confident58 Ų5845.1 Ų45.123%0.22723%0.232CC..EExtended strand (participates in β ladder)trans-96-60.1175.5-179.9-100.1000110.1A897 S932 R942 E971 H979A897-Y934 HydrophobicContact CB-CD1 4.2Å; A897-Y934 HydrophobicContact CB-CG 4.26Å; S932-Y934 PolarHBondContact O-N 2.94Å; Y934-R942 WeakPolarHBondContact CA-O 3.5Å; Y934-R942 WeakPolarHBondContact CB-O 3.45Å; Y934-R942 HydrophobicContact CD1-CB 4.46Å; Y934-R942 PolarHBondContact N-O 2.94Å; Y934-E971 HydrophobicContact CD1-CG 4.38Å; Y934-E971 HydrophobicContact CE1-CB 4.13Å; Y934-E971 HydrophobicContact CE1-CG 3.76Å; Y934-H979 HydrophobicContact CD1-CB 4.39Å; Y934-H979 AromaticContact CD2-CE1 3.68Å; Y934-H979 AromaticContact CD2-CG 3.97Å; Y934-H979 AromaticContact CD2-ND1 3.58Å; Y934-H979 HydrophobicContact CE1-CB 3.96Å; Y934-H979 HydrophobicContact CE2-CB 4.26Å; Y934-H979 AromaticContact CE2-CD2 3.63Å; Y934-H979 AromaticContact CE2-CE1 3.75Å; Y934-H979 AromaticContact CE2-CG 3.62Å; Y934-H979 AromaticContact CE2-ND1 3.7Å; Y934-H979 AromaticContact CE2-NE2 3.71Å; Y934-H979 AromaticContact CZ-CD2 3.92Å; Y934-H979 AromaticContact CZ-CG 3.75Å; Y934-H979 PolarHBondContact O-ND1 3.41Å
935S88.3Confident84.7Confident0 Ų045.1 Ų45.10%023%0.232CC..EExtended strand (participates in β ladder)trans-149.6167.2-179.171.20000110.8R942 S975S935-R942 PolarHBondContact N-O 3.15Å; S935-R942 WeakPolarHBondContact O-CB 3.48Å; S935-R942 PolarHBondContact O-N 3.38Å; S935-R942 WeakPolarHBondContact OG-CB 3.48Å; S935-R942 WeakPolarHBondContact OG-CG 3.48Å; S935-S975 VanDerWaalsContact CB-O 3.31Å; S935-S975 WeakPolarHBondContact CB-O 3.47Å; S935-S975 PolarHBondContact OG-OG 3.37Å
936I83.8Confident85.2Confident30 Ų3040.3 Ų40.315%0.15421%0.212CC..EExtended strand (participates in β ladder)trans-119.6119.8167.8-51.1-176000107.5L771 L776 L933 V940 M941 S978 L982L771-I936 HydrophobicContact CD2-CB 3.61Å; L771-I936 HydrophobicContact CD2-CD1 3.67Å; L771-I936 HydrophobicContact CD2-CG1 3.79Å; L771-I936 HydrophobicContact CD2-CG2 4.45Å; L776-I936 HydrophobicContact CD2-CD1 3.63Å; L933-I936 HydrophobicContact CD1-CG1 4.13Å; L933-I936 HydrophobicContact CD2-CD1 4.37Å; L933-I936 HydrophobicContact CD2-CG1 4.44Å; I936-V940 WeakPolarHBondContact CA-O 3.32Å; I936-M941 HydrophobicContact CD1-CE 4.38Å; I936-M941 HydrophobicContact CD1-CG 4.35Å; I936-M941 HydrophobicContact CG1-CG 4.31Å; I936-S978 PolarHBondContact N-OG 2.57Å; I936-S978 PolarHBondContact O-OG 3.14Å; I936-L982 HydrophobicContact CG1-CD1 4.41Å
937L79.2Confident86Confident12 Ų1232.7 Ų32.76%0.06318%0.177CC..EExtended strand (participates in β ladder)trans-128.7121.2-176.3-171.667.9000109.9G939 V940 D974L937-G939 PolarHBondContact O-N 3.26Å; L937-G939 VanDerWaalsContact O-N 3.16Å; L937-V940 PolarHBondContact N-O 2.87Å; L937-V940 PolarHBondContact O-N 2.56Å; L937-D974 HydrophobicContact CD1-CB 3.56Å
938Y77.3Confident86.1Confident77 Ų7732.1 Ų32.130%0.30219%0.185SC..THydrogen-bonded Turntrans54.729.2-178.7-40.1-50.5000114.5G650 F651 N652 D974G650-Y938 WeakPolarHBondContact O-CD1 3.49Å; G650-Y938 WeakPolarHBondContact O-CE1 3.38Å; F651-Y938 VanDerWaalsContact C-CE1 3.49Å; N652-Y938 HydrophobicContact CB-CD1 4.06Å; N652-Y938 HydrophobicContact CB-CD2 3.67Å; N652-Y938 HydrophobicContact CB-CE1 4.21Å; N652-Y938 HydrophobicContact CB-CE2 3.81Å; N652-Y938 HydrophobicContact CB-CG 3.81Å; N652-Y938 WeakPolarHBondContact ND2-CD2 3.44Å; Y938-D974 PolarHBondContact OH-OD2 3.18Å
939G74.6Confident85.5Confident64 Ų6437.3 Ų37.366%0.6619%0.193SC*.THydrogen-bonded Turntrans85.81.5-177.300000115.2L937L937-G939 PolarHBondContact O-N 3.26Å; L937-G939 VanDerWaalsContact O-N 3.16Å
940V82.9Confident83.8Confident18 Ų1846.5 Ų46.511%0.10924%0.236CC..EExtended strand (participates in β ladder)trans-100129.2175.2-176.10000109.4E893 Q895 I936 L937 R942E893-V940 HydrophobicContact CB-CG1 4.44Å; E893-V940 HydrophobicContact CB-CG2 4.39Å; E893-V940 HydrophobicContact CG-CG1 4.17Å; E893-V940 HydrophobicContact CG-CG2 4.13Å; Q895-V940 HydrophobicContact CB-CG1 3.78Å; I936-V940 WeakPolarHBondContact CA-O 3.32Å; L937-V940 PolarHBondContact N-O 2.87Å; L937-V940 PolarHBondContact O-N 2.56Å; V940-R942 PolarHBondContact O-N 2.95Å
941M88.8Confident82.4Confident10 Ų1049.9 Ų49.95%0.04927%0.265CS..EExtended strand (participates in β ladder)trans-79.2115.4176-70-174.1178.400110P777 F782 H892 E893 F894 Q895 L933 I936 V943P777-M941 HydrophobicContact CG-CE 4.07Å; P777-M941 HydrophobicContact CG-SD 4.42Å; F782-M941 HydrophobicContact CZ-SD 4.44Å; H892-M941 HydrophobicContact CB-SD 4.29Å; E893-M941 PolarHBondContact O-N 3.18Å; F894-M941 CarbonylContact C-O 3.48Å; F894-M941 WeakPolarHBondContact CA-O 3.49Å; F894-M941 HydrophobicContact CD1-CB 3.7Å; F894-M941 HydrophobicContact CD1-SD 4.38Å; F894-M941 HydrophobicContact CE1-CB 3.93Å; F894-M941 HydrophobicContact CE1-CG 4.39Å; F894-M941 HydrophobicContact CE1-SD 3.64Å; F894-M941 HydrophobicContact CZ-SD 4.13Å; Q895-M941 PolarHBondContact N-O 3.46Å; L933-M941 HydrophobicContact CD1-CB 3.88Å; L933-M941 HydrophobicContact CD1-CG 4.1Å; L933-M941 HydrophobicContact CD1-SD 4.47Å; I936-M941 HydrophobicContact CD1-CE 4.38Å; I936-M941 HydrophobicContact CD1-CG 4.35Å; I936-M941 HydrophobicContact CG1-CG 4.31Å; M941-V943 HydrophobicContact CB-CG1 4.33Å
942R89.4Confident81.4Confident41 Ų4157.7 Ų57.716%0.15530%0.299CS..EExtended strand (participates in β ladder)trans-83.1121.8173.4-64.5-70.9177.71471.2109Q895 A897 Y934 S935 V940Q895-R942 VanDerWaalsContact CD-CZ 3.45Å; Q895-R942 VanDerWaalsContact CD-NH1 3.32Å; Q895-R942 CarbonylContact O-C 3.33Å; Q895-R942 VanDerWaalsContact O-CA 3.23Å; Q895-R942 WeakPolarHBondContact O-CA 3.39Å; A897-R942 HydrophobicContact CB-CB 4.34Å; Y934-R942 WeakPolarHBondContact CA-O 3.5Å; Y934-R942 WeakPolarHBondContact CB-O 3.45Å; Y934-R942 HydrophobicContact CD1-CB 4.46Å; Y934-R942 PolarHBondContact N-O 2.94Å; S935-R942 PolarHBondContact N-O 3.15Å; S935-R942 WeakPolarHBondContact O-CB 3.48Å; S935-R942 PolarHBondContact O-N 3.38Å; S935-R942 WeakPolarHBondContact OG-CB 3.48Å; S935-R942 WeakPolarHBondContact OG-CG 3.48Å; V940-R942 PolarHBondContact O-N 2.95Å
943V91.9Very high80.7Confident0 Ų061.2 Ų61.20%032%0.324CS..EExtended strand (participates in β ladder)trans-132.3151.3-171.3-61.80000112.9F795 F894 Q895 V896 A897 V931 S932 L933 M941F795-V943 HydrophobicContact CZ-CG2 4.35Å; F894-V943 HydrophobicContact CB-CG2 4.35Å; F894-V943 HydrophobicContact CD1-CG1 3.7Å; F894-V943 HydrophobicContact CD1-CG2 4.27Å; F894-V943 HydrophobicContact CE1-CG1 4.21Å; Q895-V943 PolarHBondContact O-N 3.14Å; V896-V943 CarbonylContact C-O 3.42Å; V896-V943 VanDerWaalsContact CA-O 3.28Å; V896-V943 WeakPolarHBondContact CA-O 3.35Å; A897-V943 PolarHBondContact N-O 3.43Å; V931-V943 HydrophobicContact CB-CB 4.17Å; V931-V943 HydrophobicContact CB-CG1 4.27Å; V931-V943 HydrophobicContact CB-CG2 4.44Å; V931-V943 HydrophobicContact CG1-CG2 4.34Å; S932-V943 CarbonylContact O-C 3.55Å; S932-V943 VanDerWaalsContact O-CA 3.24Å; S932-V943 WeakPolarHBondContact O-CA 3.31Å; L933-V943 HydrophobicContact CD1-CG1 4.28Å; M941-V943 HydrophobicContact CB-CG1 4.33Å
944E91.3Very high80.4Confident87 Ų8763.9 Ų63.941%0.40734%0.34SS..EExtended strand (participates in β ladder)trans-91132.8159.7-179.7179.1-161.500108.9V931 S932 L946V931-E944 WeakPolarHBondContact CA-O 3.48Å; S932-E944 PolarHBondContact N-O 2.98Å; S932-E944 PolarHBondContact O-N 2.71Å; E944-L946 HydrophobicContact CG-CD2 4.32Å
945L90.3Very high80.4Confident0 Ų061.7 Ų61.70%033%0.333CS..EExtended strand (participates in β ladder)trans-108.3118.1-172.6-110.4161.3000110.6I786 F795 V896 F920 V929 V931 V956I786-L945 HydrophobicContact CD1-CD2 4.48Å; F795-L945 HydrophobicContact CD1-CD1 4.41Å; F795-L945 HydrophobicContact CE1-CD1 3.29Å; F795-L945 HydrophobicContact CZ-CD1 3.45Å; F795-L945 VanDerWaalsContact CZ-CD1 3.45Å; F795-L945 HydrophobicContact CZ-CG 4.25Å; V896-L945 HydrophobicContact CG2-CB 4.35Å; V896-L945 HydrophobicContact CG2-CD1 3.34Å; V896-L945 HydrophobicContact CG2-CG 4.33Å; F920-L945 HydrophobicContact CE2-CD1 4.38Å; F920-L945 HydrophobicContact CZ-CD1 4.33Å; V929-L945 HydrophobicContact CB-CD2 3.72Å; V929-L945 HydrophobicContact CG1-CD2 4.27Å; V929-L945 HydrophobicContact CG2-CD2 3.57Å; V931-L945 HydrophobicContact CG1-CD2 4.01Å; V931-L945 HydrophobicContact CG1-CG 4.21Å; L945-V956 HydrophobicContact CB-CB 4.15Å; L945-V956 HydrophobicContact CB-CG2 3.94Å; L945-V956 PolarHBondContact O-N 3.24Å
946L89.2Confident80.4Confident28 Ų2861.7 Ų61.715%0.14733%0.333CS..EExtended strand (participates in β ladder)trans-117.6123.1-175.7-59.2173.8000110.5L781 I930 E944L781-L946 HydrophobicContact CD2-CD1 4.46Å; I930-L946 HydrophobicContact CB-CB 4.19Å; I930-L946 HydrophobicContact CG2-CB 4.5Å; I930-L946 HydrophobicContact CG2-CD1 4.49Å; I930-L946 PolarHBondContact N-O 2.81Å; I930-L946 VanDerWaalsContact N-O 3.16Å; I930-L946 PolarHBondContact O-N 3.19Å; E944-L946 HydrophobicContact CG-CD2 4.32Å
947L85.5Confident80.7Confident13 Ų1360.9 Ų60.97%0.06833%0.329CS..EExtended strand (participates in β ladder)trans-93.2132.5174.7-60.4176.4000110.2M923 V929 S953 T954 V956 I959M923-L947 HydrophobicContact CB-CD1 4.12Å; M923-L947 HydrophobicContact CG-CD1 4.4Å; M923-L947 HydrophobicContact SD-CD1 4.28Å; V929-L947 HydrophobicContact CG1-CD2 3.72Å; L947-S953 WeakPolarHBondContact O-CA 3.27Å; L947-T954 PolarHBondContact N-O 3.39Å; L947-T954 PolarHBondContact O-N 3.09Å; L947-V956 HydrophobicContact CD1-CG2 3.88Å; L947-V956 HydrophobicContact CD2-CG2 4.12Å; L947-V956 HydrophobicContact CG-CG2 3.67Å; L947-I959 HydrophobicContact CD1-CD1 4.15Å
948S76.6Confident81.2Confident97 Ų9763 Ų6368%0.67834%0.341SS*.EExtended strand (participates in β ladder)trans-89.8104.3175.2178.70000110.4
949R68.4Low81.7Confident184 Ų18460.7 Ų60.769%0.69433%0.333SS*.EExtended strand (participates in β ladder)trans-119.2125.1171.9-87.2-177.9166.9177.3-2.8110.2S951 K952R949-S951 VanDerWaalsContact C-N 3.31Å; R949-S951 PolarHBondContact O-N 3.29Å; R949-K952 PolarHBondContact N-O 3.41Å; R949-K952 PolarHBondContact O-N 2.95Å
950E53.6Low82.4Confident195 Ų19557.6 Ų57.691%0.91130%0.302SS*.THydrogen-bonded Turntrans29.756.8163.6-60.9-177-178.300115.4
951S57.7Low82.7Confident126 Ų12659 Ų5988%0.88131%0.31SS*.THydrogen-bonded Turntrans84.13.6177.575.80000120.1R949R949-S951 VanDerWaalsContact C-N 3.31Å; R949-S951 PolarHBondContact O-N 3.29Å
952K70.1Confident82.6Confident163 Ų16366.5 Ų66.571%0.70935%0.345SS*.EExtended strand (participates in β ladder)trans-133.8136.7168.1-73.8-175.6179.6179.50112.8R949R949-K952 PolarHBondContact N-O 3.41Å; R949-K952 PolarHBondContact O-N 2.95Å
953S76Confident82.4Confident83 Ų8369.1 Ų69.158%0.5836%0.359SS*.EExtended strand (participates in β ladder)trans-79.6122.2169.154.60000110L947L947-S953 WeakPolarHBondContact O-CA 3.27Å
954T85Confident82.1Confident56 Ų5670.4 Ų70.434%0.34437%0.372SS..EExtended strand (participates in β ladder)trans-110.2134.9176.9-46.90000109.5L947 I959L947-T954 PolarHBondContact N-O 3.39Å; L947-T954 PolarHBondContact O-N 3.09Å; T954-I959 HydrophobicContact CG2-CD1 3.92Å; T954-I959 HydrophobicContact CG2-CG1 3.86Å
955S88.9Confident81.9Confident11 Ų1167.1 Ų67.18%0.07736%0.357CS..EExtended strand (participates in β ladder)trans-75132.7176.8-179.20000110.9V957 D958 I959S955-V957 PolarHBondContact O-N 3.34Å; S955-V957 PolarHBondContact OG-N 2.99Å; S955-D958 WeakPolarHBondContact CB-OD2 3.37Å; S955-D958 PolarHBondContact O-N 3.48Å; S955-I959 PolarHBondContact O-N 3.08Å
956V88.8Confident81.8Confident1 Ų167.2 Ų67.21%0.00636%0.358CS..Hα-helixtrans-61.6-33.5175.5176.40000111.2F920 M923 L945 L947 I959 L960F920-V956 HydrophobicContact CD2-CG1 3.89Å; F920-V956 HydrophobicContact CE2-CG1 3.93Å; M923-V956 HydrophobicContact SD-CG1 4.12Å; L945-V956 HydrophobicContact CB-CB 4.15Å; L945-V956 HydrophobicContact CB-CG2 3.94Å; L945-V956 PolarHBondContact O-N 3.24Å; L947-V956 HydrophobicContact CD1-CG2 3.88Å; L947-V956 HydrophobicContact CD2-CG2 4.12Å; L947-V956 HydrophobicContact CG-CG2 3.67Å; V956-I959 PolarHBondContact O-N 3.32Å; V956-L960 HydrophobicContact CG1-CD1 4.07Å; V956-L960 HydrophobicContact CG1-CG 4.39Å; V956-L960 WeakPolarHBondContact O-CG 3.5Å; V956-L960 PolarHBondContact O-N 2.95Å
957V88.8Confident81.8Confident12 Ų1268.3 Ų68.37%0.07337%0.366CS..Hα-helixtrans-63.9-44.2178.4177.90000110.6V896 M899 S955 I959 L960 V961V896-V957 HydrophobicContact CG1-CG2 3.43Å; V896-V957 VanDerWaalsContact CG1-CG2 3.43Å; M899-V957 HydrophobicContact CB-CG1 3.99Å; M899-V957 HydrophobicContact CB-CG2 4.15Å; M899-V957 HydrophobicContact SD-CG2 4.39Å; S955-V957 PolarHBondContact O-N 3.34Å; S955-V957 PolarHBondContact OG-N 2.99Å; V957-I959 VanDerWaalsContact C-N 3.34Å; V957-I959 PolarHBondContact O-N 2.77Å; V957-L960 PolarHBondContact O-N 3.13Å; V957-V961 HydrophobicContact CG1-CG2 4.24Å; V957-V961 WeakPolarHBondContact O-CB 3.31Å; V957-V961 WeakPolarHBondContact O-CG2 2.93Å; V957-V961 PolarHBondContact O-N 2.77Å
958D89.8Confident81.9Confident58 Ų5873.9 Ų73.931%0.3139%0.389SS..Hα-helixtrans-63-41.6179.8-68.3-35000111.3S955 V961 E962 K968S955-D958 WeakPolarHBondContact CB-OD2 3.37Å; S955-D958 PolarHBondContact O-N 3.48Å; D958-V961 PolarHBondContact O-N 3.4Å; D958-E962 WeakPolarHBondContact O-CB 3.49Å; D958-E962 WeakPolarHBondContact O-CG 3.48Å; D958-E962 PolarHBondContact O-N 3.39Å; D958-K968 WeakPolarHBondContact OD1-CE 3.39Å; D958-K968 IonicContact OD1-NZ 3.25Å; D958-K968 PolarHBondContact OD1-NZ 3.49Å
959I88.7Confident82.3Confident27 Ų2770.5 Ų70.514%0.13837%0.367CS..Hα-helixtrans-62-47.1176.2-57168.2000110.8M923 L947 T954 S955 V956 V957 V961 E962 E963M923-I959 HydrophobicContact CE-CB 4.16Å; M923-I959 HydrophobicContact CE-CG2 3.43Å; M923-I959 VanDerWaalsContact CE-CG2 3.43Å; M923-I959 HydrophobicContact SD-CB 4.47Å; M923-I959 HydrophobicContact SD-CD1 4.2Å; M923-I959 HydrophobicContact SD-CG2 4.21Å; L947-I959 HydrophobicContact CD1-CD1 4.15Å; T954-I959 HydrophobicContact CG2-CD1 3.92Å; T954-I959 HydrophobicContact CG2-CG1 3.86Å; S955-I959 PolarHBondContact O-N 3.08Å; V956-I959 PolarHBondContact O-N 3.32Å; V957-I959 VanDerWaalsContact C-N 3.34Å; V957-I959 PolarHBondContact O-N 2.77Å; I959-V961 VanDerWaalsContact C-N 3.26Å; I959-V961 PolarHBondContact O-N 3.05Å; I959-E962 PolarHBondContact O-N 2.92Å; I959-E963 WeakPolarHBondContact O-CG 3.32Å; I959-E963 PolarHBondContact O-N 3.38Å
960L89.5Confident83Confident0 Ų068.6 Ų68.60%037%0.366CS..Hα-helixtrans-65.2-29.7178.8-71.4174.2000112.7V792 M899 F920 M923 V956 V957 G964 H965 A966V792-L960 HydrophobicContact CG1-CD1 3.92Å; M899-L960 HydrophobicContact SD-CD1 4.39Å; F920-L960 HydrophobicContact CD2-CD1 4.34Å; M923-L960 HydrophobicContact CE-CD2 4.34Å; V956-L960 HydrophobicContact CG1-CD1 4.07Å; V956-L960 HydrophobicContact CG1-CG 4.39Å; V956-L960 WeakPolarHBondContact O-CG 3.5Å; V956-L960 PolarHBondContact O-N 2.95Å; V957-L960 PolarHBondContact O-N 3.13Å; L960-G964 PolarHBondContact O-N 3.44Å; L960-H965 HydrophobicContact CD2-CB 4.15Å; L960-H965 WeakPolarHBondContact O-CA 3.35Å; L960-H965 WeakPolarHBondContact O-CB 3.44Å; L960-H965 PolarHBondContact O-N 3.26Å; L960-A966 HydrophobicContact CB-CB 3.86Å; L960-A966 PolarHBondContact O-N 3.48Å
961V89.1Confident84.6Confident48 Ų4860.4 Ų60.429%0.29133%0.328SS..Hα-helixtrans-74.5-44.1175171.10000110.8V957 D958 I959 E963 G964 A966 K968V957-V961 HydrophobicContact CG1-CG2 4.24Å; V957-V961 WeakPolarHBondContact O-CB 3.31Å; V957-V961 WeakPolarHBondContact O-CG2 2.93Å; V957-V961 PolarHBondContact O-N 2.77Å; D958-V961 PolarHBondContact O-N 3.4Å; I959-V961 VanDerWaalsContact C-N 3.26Å; I959-V961 PolarHBondContact O-N 3.05Å; V961-E963 VanDerWaalsContact C-N 3.31Å; V961-E963 PolarHBondContact O-N 3.08Å; V961-G964 PolarHBondContact O-N 3.3Å; V961-A966 HydrophobicContact CG2-CB 4.18Å; V961-K968 HydrophobicContact CG2-CG 4.14Å
962E86.4Confident85.9Confident167 Ų16755.8 Ų55.878%0.7829%0.293SS*.Hα-helixtrans-61.2-38.2176.4-75.5176.2-174.900112.2D958 I959 G964D958-E962 WeakPolarHBondContact O-CB 3.49Å; D958-E962 WeakPolarHBondContact O-CG 3.48Å; D958-E962 PolarHBondContact O-N 3.39Å; I959-E962 PolarHBondContact O-N 2.92Å; E962-G964 PolarHBondContact O-N 3.3Å
963E85.5Confident86.6Confident96 Ų9649.5 Ų49.545%0.44927%0.269SS..THydrogen-bonded Turntrans-77.7-2.1174.6-68.1-173.3171.100113.8C919 I959 V961 H965C919-E963 PolarHBondContact SG-OE2 2.96Å; I959-E963 WeakPolarHBondContact O-CG 3.32Å; I959-E963 PolarHBondContact O-N 3.38Å; V961-E963 VanDerWaalsContact C-N 3.31Å; V961-E963 PolarHBondContact O-N 3.08Å; E963-H965 VanDerWaalsContact C-N 3.29Å; E963-H965 PolarHBondContact O-N 3.11Å; E963-H965 IonicContact OE2-CD2 3.82Å; E963-H965 IonicContact OE2-NE2 3.68Å
964G84.1Confident86.8Confident27 Ų2746.2 Ų46.228%0.27824%0.244SC..THydrogen-bonded Turntrans73.815.7178.800000114.4S902 L960 V961 E962S902-G964 VanDerWaalsContact CB-O 3.28Å; S902-G964 WeakPolarHBondContact CB-O 3.26Å; S902-G964 PolarHBondContact OG-O 2.91Å; L960-G964 PolarHBondContact O-N 3.44Å; V961-G964 PolarHBondContact O-N 3.3Å; E962-G964 PolarHBondContact O-N 3.3Å
965H87.9Confident86.8Confident17 Ų1743.6 Ų43.68%0.07923%0.228CC..SBendtrans-83.9-33178.4-71.3-36.4000113S902 S905 W912 A916 L960 E963S902-H965 WeakPolarHBondContact CB-O 3.18Å; S902-H965 PolarHBondContact N-O 2.83Å; S902-H965 PolarHBondContact OG-O 2.89Å; S905-H965 PolarHBondContact OG-O 3.47Å; W912-H965 VanDerWaalsContact CZ3-O 3.26Å; W912-H965 WeakPolarHBondContact CZ3-O 3.37Å; A916-H965 HydrophobicContact CB-CB 3.87Å; L960-H965 HydrophobicContact CD2-CB 4.15Å; L960-H965 WeakPolarHBondContact O-CA 3.35Å; L960-H965 WeakPolarHBondContact O-CB 3.44Å; L960-H965 PolarHBondContact O-N 3.26Å; E963-H965 VanDerWaalsContact C-N 3.29Å; E963-H965 PolarHBondContact O-N 3.11Å; E963-H965 IonicContact OE2-CD2 3.82Å; E963-H965 IonicContact OE2-NE2 3.68Å
966A89.1Confident86.8Confident3 Ų346.4 Ų46.43%0.02524%0.24CC..EExtended strand (participates in β ladder)trans-127166.5-17900000112.8W900 W912 L960 V961W900-A966 CarbonylContact O-C 3.6Å; W900-A966 WeakPolarHBondContact O-CA 3.02Å; W900-A966 WeakPolarHBondContact O-CB 3.3Å; W912-A966 HydrophobicContact CH2-CB 3.78Å; W912-A966 HydrophobicContact CZ3-CB 3.88Å; L960-A966 HydrophobicContact CB-CB 3.86Å; L960-A966 PolarHBondContact O-N 3.48Å; V961-A966 HydrophobicContact CG2-CB 4.18Å
967V87.6Confident86.5Confident51 Ų5150 Ų5031%0.30926%0.257SS..EExtended strand (participates in β ladder)trans-127.9144.4168.5-177.30000108W900W900-V967 PolarHBondContact N-O 3.05Å; W900-V967 PolarHBondContact O-N 3.31Å
968K87.6Confident86.3Confident130 Ų13049.6 Ų49.657%0.56526%0.255SS*.EExtended strand (participates in β ladder)trans-66135.5173.8-64.8-170.6177.9-172.20109.8G898 D958 V961G898-K968 WeakPolarHBondContact O-CA 3.44Å; D958-K968 WeakPolarHBondContact OD1-CE 3.39Å; D958-K968 IonicContact OD1-NZ 3.25Å; D958-K968 PolarHBondContact OD1-NZ 3.49Å; V961-K968 HydrophobicContact CG2-CG 4.14Å
969A84.9Confident86.2Confident25 Ų2548.4 Ų48.421%0.20725%0.247CC..  trans-136.8152.1-17600000111.6G898 W900 F1076G898-A969 CarbonylContact C-O 3.5Å; G898-A969 VanDerWaalsContact CA-O 3.31Å; G898-A969 WeakPolarHBondContact CA-O 3.34Å; G898-A969 PolarHBondContact O-N 3.49Å; W900-A969 HydrophobicContact CB-CB 3.72Å; A969-F1076 HydrophobicContact CB-CE1 3.87Å; A969-F1076 HydrophobicContact CB-CZ 4.05Å
970E84.4Confident86.1Confident144 Ų14452.7 Ų52.767%0.67327%0.267SS*.PPolyproline II helixtrans-76.5144.4172-66.2-174.1174.500110.7H1075E970-H1075 PolarHBondContact O-CD2 2.87Å
971E86.7Confident85.7Confident24 Ų2455.2 Ų55.211%0.11228%0.28CS..PPolyproline II helixtrans-77.4153.2173.7-72.7-71.7135.500111A897 G898 Y934 S975 Q976A897-E971 WeakPolarHBondContact CA-OE1 3.49Å; A897-E971 HydrophobicContact CB-CG 4.47Å; G898-E971 PolarHBondContact N-OE1 2.9Å; Y934-E971 HydrophobicContact CD1-CG 4.38Å; Y934-E971 HydrophobicContact CE1-CB 4.13Å; Y934-E971 HydrophobicContact CE1-CG 3.76Å; E971-S975 WeakPolarHBondContact OE2-CB 3.34Å; E971-S975 PolarHBondContact OE2-OG 2.87Å; E971-Q976 HydrophobicContact CB-CG 4.37Å; E971-Q976 PolarHBondContact O-NE2 2.97Å
972N84.3Confident85.5Confident28 Ų2853 Ų5315%0.1527%0.266CS..PPolyproline II helixtrans-67.8163.3178.972.30.4000112.6E641 D974 S975 Q976E641-N972 WeakPolarHBondContact OE1-CA 3.13Å; E641-N972 VanDerWaalsContact OE1-CB 3.3Å; E641-N972 WeakPolarHBondContact OE1-CB 3.28Å; N972-D974 VanDerWaalsContact C-N 3.28Å; N972-D974 PolarHBondContact O-N 3.31Å; N972-S975 PolarHBondContact O-N 3.39Å; N972-S975 VanDerWaalsContact O-N 3.09Å; N972-S975 WeakPolarHBondContact OD1-CA 3.48Å; N972-S975 WeakPolarHBondContact OD1-CB 3.34Å; N972-S975 PolarHBondContact OD1-N 3.04Å; N972-Q976 WeakPolarHBondContact O-CG 3.48Å; N972-Q976 PolarHBondContact O-N 3.27Å
973V85.2Confident85.4Confident32 Ų3248.4 Ų48.419%0.19425%0.247CC..Hα-helixtrans-58.5-38.2-176.3169.70000112.3E641 R642 Q976 Q977E641-V973 HydrophobicContact CB-CG2 4.33Å; E641-V973 HydrophobicContact CG-CB 4Å; E641-V973 HydrophobicContact CG-CG2 3.75Å; E641-V973 PolarHBondContact OE1-N 3.33Å; E641-V973 WeakPolarHBondContact OE2-CG2 3.43Å; R642-V973 HydrophobicContact CG-CG1 4.18Å; R642-V973 HydrophobicContact CG-CG2 4.27Å; V973-Q976 PolarHBondContact O-N 2.93Å; V973-Q977 WeakPolarHBondContact O-CB 3.36Å; V973-Q977 PolarHBondContact O-N 2.77Å
974D81.5Confident85.3Confident14 Ų1447 Ų478%0.07525%0.248CC..Hα-helixtrans-66.1-38.6178.3-76.5-31.3000112.5C645 L937 Y938 N972 S978C645-D974 WeakPolarHBondContact CB-OD1 3.38Å; C645-D974 PolarHBondContact SG-OD1 3.07Å; C645-D974 VanDerWaalsContact SG-OD1 3.42Å; C645-D974 PolarHBondContact SG-OD2 3.38Å; C645-D974 VanDerWaalsContact SG-OD2 3.37Å; L937-D974 HydrophobicContact CD1-CB 3.56Å; Y938-D974 PolarHBondContact OH-OD2 3.18Å; N972-D974 VanDerWaalsContact C-N 3.28Å; N972-D974 PolarHBondContact O-N 3.31Å; D974-S978 VanDerWaalsContact O-CB 3.28Å; D974-S978 WeakPolarHBondContact O-CB 3.46Å; D974-S978 PolarHBondContact O-N 3.42Å
975S85.3Confident85Confident0 Ų047.4 Ų47.40%024%0.243CC..Hα-helixtrans-69.6-41.4176.3-176.70000111S935 E971 N972 S978 H979S935-S975 VanDerWaalsContact CB-O 3.31Å; S935-S975 WeakPolarHBondContact CB-O 3.47Å; S935-S975 PolarHBondContact OG-OG 3.37Å; E971-S975 WeakPolarHBondContact OE2-CB 3.34Å; E971-S975 PolarHBondContact OE2-OG 2.87Å; N972-S975 PolarHBondContact O-N 3.39Å; N972-S975 VanDerWaalsContact O-N 3.09Å; N972-S975 WeakPolarHBondContact OD1-CA 3.48Å; N972-S975 WeakPolarHBondContact OD1-CB 3.34Å; N972-S975 PolarHBondContact OD1-N 3.04Å; S975-S978 PolarHBondContact O-N 3.45Å; S975-H979 WeakPolarHBondContact O-CB 3.16Å; S975-H979 PolarHBondContact O-N 2.88Å
976Q87.1Confident84.7Confident71 Ų7147.6 Ų47.633%0.33224%0.243SC..Hα-helixtrans-61.4-47.6174.2-67.7177.54.900111.7E971 N972 V973 S978 H979 E980E971-Q976 HydrophobicContact CB-CG 4.37Å; E971-Q976 PolarHBondContact O-NE2 2.97Å; N972-Q976 WeakPolarHBondContact O-CG 3.48Å; N972-Q976 PolarHBondContact O-N 3.27Å; V973-Q976 PolarHBondContact O-N 2.93Å; Q976-S978 VanDerWaalsContact C-N 3.35Å; Q976-S978 PolarHBondContact O-N 2.81Å; Q976-H979 WeakPolarHBondContact O-CB 3.31Å; Q976-H979 PolarHBondContact O-N 2.85Å; Q976-E980 PolarHBondContact O-N 3.18Å
977Q84Confident84.3Confident77 Ų7750.9 Ų50.936%0.3626%0.26SS..Hα-helixtrans-62.8-42.7176.7-173.264.962.800111.5V973 H979 E980 D981V973-Q977 WeakPolarHBondContact O-CB 3.36Å; V973-Q977 PolarHBondContact O-N 2.77Å; Q977-H979 VanDerWaalsContact C-N 3.27Å; Q977-H979 PolarHBondContact O-N 2.91Å; Q977-E980 PolarHBondContact O-N 2.77Å; Q977-D981 PolarHBondContact NE2-OD1 2.76Å; Q977-D981 WeakPolarHBondContact O-CB 3.46Å; Q977-D981 PolarHBondContact O-N 3.41Å
978S84.3Confident83.7Confident3 Ų351.1 Ų51.12%0.02126%0.26CS..Hα-helixtrans-61.9-36.3176179.20000111.8I936 D974 S975 Q976 L982I936-S978 PolarHBondContact N-OG 2.57Å; I936-S978 PolarHBondContact O-OG 3.14Å; D974-S978 VanDerWaalsContact O-CB 3.28Å; D974-S978 WeakPolarHBondContact O-CB 3.46Å; D974-S978 PolarHBondContact O-N 3.42Å; S975-S978 PolarHBondContact O-N 3.45Å; Q976-S978 VanDerWaalsContact C-N 3.35Å; Q976-S978 PolarHBondContact O-N 2.81Å; S978-L982 WeakPolarHBondContact O-CB 3.27Å; S978-L982 PolarHBondContact O-N 3.2Å
979H87Confident83.1Confident33 Ų3348.4 Ų48.415%0.15325%0.251CS..Hα-helixtrans-62.9-47173.8-179.559.4000112.1Y934 S975 Q976 Q977 L982 L983Y934-H979 HydrophobicContact CD1-CB 4.39Å; Y934-H979 AromaticContact CD2-CE1 3.68Å; Y934-H979 AromaticContact CD2-CG 3.97Å; Y934-H979 AromaticContact CD2-ND1 3.58Å; Y934-H979 HydrophobicContact CE1-CB 3.96Å; Y934-H979 HydrophobicContact CE2-CB 4.26Å; Y934-H979 AromaticContact CE2-CD2 3.63Å; Y934-H979 AromaticContact CE2-CE1 3.75Å; Y934-H979 AromaticContact CE2-CG 3.62Å; Y934-H979 AromaticContact CE2-ND1 3.7Å; Y934-H979 AromaticContact CE2-NE2 3.71Å; Y934-H979 AromaticContact CZ-CD2 3.92Å; Y934-H979 AromaticContact CZ-CG 3.75Å; Y934-H979 PolarHBondContact O-ND1 3.41Å; S975-H979 WeakPolarHBondContact O-CB 3.16Å; S975-H979 PolarHBondContact O-N 2.88Å; Q976-H979 WeakPolarHBondContact O-CB 3.31Å; Q976-H979 PolarHBondContact O-N 2.85Å; Q977-H979 VanDerWaalsContact C-N 3.27Å; Q977-H979 PolarHBondContact O-N 2.91Å; H979-L982 PolarHBondContact O-N 2.94Å; H979-L983 WeakPolarHBondContact NE2-CD1 3.48Å; H979-L983 WeakPolarHBondContact O-CG 3.24Å; H979-L983 PolarHBondContact O-N 2.95Å
980E86.1Confident82.6Confident117 Ų11753.7 Ų53.755%0.54728%0.276SS..Hα-helixtrans-61.4-46.8176.6-69.2177.6-179.900112Q976 Q977 L982 L983 S984Q976-E980 PolarHBondContact O-N 3.18Å; Q977-E980 PolarHBondContact O-N 2.77Å; E980-L982 VanDerWaalsContact C-N 3.29Å; E980-L982 PolarHBondContact O-N 2.99Å; E980-L983 PolarHBondContact O-N 2.81Å; E980-S984 PolarHBondContact O-N 3.28Å
981D82.3Confident82.1Confident53 Ų5352.9 Ų52.928%0.28327%0.27SS..Hα-helixtrans-59.8-41.6177.7-62.1-16.3000110.6L771 Q977 S984 M985L771-D981 HydrophobicContact CD1-CB 4.4Å; Q977-D981 PolarHBondContact NE2-OD1 2.76Å; Q977-D981 WeakPolarHBondContact O-CB 3.46Å; Q977-D981 PolarHBondContact O-N 3.41Å; D981-S984 PolarHBondContact O-N 3.26Å; D981-M985 PolarHBondContact O-N 3.4Å; D981-M985 VanDerWaalsContact O-N 3.14Å
982L84.3Confident80.9Confident0 Ų054.9 Ų54.90%030%0.297CS..Hα-helixtrans-66.5-44.1178.5-176148.9000112.1L771 L933 I936 S978 H979 E980 S984 M985 Y986L771-L982 HydrophobicContact CD1-CB 3.9Å; L933-L982 HydrophobicContact CD2-CD1 3.69Å; L933-L982 HydrophobicContact CG-CD1 3.91Å; I936-L982 HydrophobicContact CG1-CD1 4.41Å; S978-L982 WeakPolarHBondContact O-CB 3.27Å; S978-L982 PolarHBondContact O-N 3.2Å; H979-L982 PolarHBondContact O-N 2.94Å; E980-L982 VanDerWaalsContact C-N 3.29Å; E980-L982 PolarHBondContact O-N 2.99Å; L982-S984 VanDerWaalsContact C-N 3.34Å; L982-S984 PolarHBondContact O-N 2.82Å; L982-M985 PolarHBondContact O-N 3Å; L982-Y986 HydrophobicContact CD1-CE2 4.27Å; L982-Y986 HydrophobicContact CD2-CD2 3.45Å; L982-Y986 VanDerWaalsContact CD2-CD2 3.45Å; L982-Y986 HydrophobicContact CD2-CE2 3.51Å; L982-Y986 HydrophobicContact CG-CD2 3.84Å; L982-Y986 HydrophobicContact CG-CE2 3.71Å; L982-Y986 WeakPolarHBondContact O-CD2 3.26Å; L982-Y986 PolarHBondContact O-N 3.44Å
983L85.3Confident79.6Confident71 Ų7160.5 Ų60.537%0.37232%0.324SS..Hα-helixtrans-61.3-43.1176.3-73.6177.5000111.7H979 E980 M985 Y986 D987H979-L983 WeakPolarHBondContact NE2-CD1 3.48Å; H979-L983 WeakPolarHBondContact O-CG 3.24Å; H979-L983 PolarHBondContact O-N 2.95Å; E980-L983 PolarHBondContact O-N 2.81Å; L983-M985 VanDerWaalsContact C-N 3.31Å; L983-M985 PolarHBondContact O-N 3.29Å; L983-Y986 PolarHBondContact O-N 3.3Å; L983-D987 WeakPolarHBondContact O-CB 3.4Å; L983-D987 PolarHBondContact O-N 2.97Å
984S81.9Confident78.1Confident67 Ų6762.9 Ų62.947%0.46933%0.33SS..Hα-helixtrans-59.7-42.1176.2-171.10000111.7E980 D981 L982 D987 D988E980-S984 PolarHBondContact O-N 3.28Å; D981-S984 PolarHBondContact O-N 3.26Å; L982-S984 VanDerWaalsContact C-N 3.34Å; L982-S984 PolarHBondContact O-N 2.82Å; S984-D987 PolarHBondContact O-N 3.5Å; S984-D988 PolarHBondContact O-N 3.49Å
985M77.8Confident76.5Confident36 Ų3664.6 Ų64.618%0.17735%0.351CS..Hα-helixtrans-70.6-40.8-180-76.3-171.5-72.500113.7L771 L776 D981 L982 L983 D987 D988 L989L771-M985 HydrophobicContact CB-CE 3.33Å; L771-M985 HydrophobicContact CB-SD 4.3Å; L771-M985 HydrophobicContact CD1-CE 3.14Å; L771-M985 HydrophobicContact CG-CE 3.78Å; L776-M985 HydrophobicContact CD1-CE 4.45Å; D981-M985 PolarHBondContact O-N 3.4Å; D981-M985 VanDerWaalsContact O-N 3.14Å; L982-M985 PolarHBondContact O-N 3Å; L983-M985 VanDerWaalsContact C-N 3.31Å; L983-M985 PolarHBondContact O-N 3.29Å; M985-D987 VanDerWaalsContact C-N 3.3Å; M985-D988 PolarHBondContact O-N 3.34Å; M985-L989 WeakPolarHBondContact O-CB 3.33Å; M985-L989 VanDerWaalsContact O-CG 3.29Å; M985-L989 WeakPolarHBondContact O-CG 3.5Å; M985-L989 PolarHBondContact O-N 3.03Å
986Y82Confident74.6Confident20 Ų2069 Ų698%0.07838%0.38CS..Hα-helixtrans-65.1-36.5175.1-83.1-73.6000111.5P777 L982 L983 L989 D990P777-Y986 WeakPolarHBondContact O-CE1 3.45Å; P777-Y986 PolarHBondContact O-OH 3.41Å; L982-Y986 HydrophobicContact CD1-CE2 4.27Å; L982-Y986 HydrophobicContact CD2-CD2 3.45Å; L982-Y986 VanDerWaalsContact CD2-CD2 3.45Å; L982-Y986 HydrophobicContact CD2-CE2 3.51Å; L982-Y986 HydrophobicContact CG-CD2 3.84Å; L982-Y986 HydrophobicContact CG-CE2 3.71Å; L982-Y986 WeakPolarHBondContact O-CD2 3.26Å; L982-Y986 PolarHBondContact O-N 3.44Å; L983-Y986 PolarHBondContact O-N 3.3Å; Y986-L989 HydrophobicContact CD1-CD1 4.41Å; Y986-L989 PolarHBondContact O-N 3.38Å; Y986-D990 WeakPolarHBondContact O-CB 3.33Å; Y986-D990 VanDerWaalsContact O-CG 3.31Å; Y986-D990 PolarHBondContact O-N 3.15Å
987D80.5Confident72.4Confident72 Ų7268.6 Ų68.639%0.38538%0.384SS..Hα-helixtrans-63.8-41.3173.4-175.256000112.1L983 S984 M985 D990 K991L983-D987 WeakPolarHBondContact O-CB 3.4Å; L983-D987 PolarHBondContact O-N 2.97Å; S984-D987 PolarHBondContact O-N 3.5Å; M985-D987 VanDerWaalsContact C-N 3.3Å; D987-D990 PolarHBondContact O-N 2.89Å; D987-K991 VanDerWaalsContact O-CB 3.3Å; D987-K991 WeakPolarHBondContact O-CB 3.43Å; D987-K991 VanDerWaalsContact O-CG 3.26Å; D987-K991 WeakPolarHBondContact O-CG 3.17Å; D987-K991 PolarHBondContact O-N 3.31Å; D987-K991 WeakPolarHBondContact OD1-CE 2.97Å; D987-K991 IonicContact OD1-NZ 2.84Å; D987-K991 PolarHBondContact OD1-NZ 3.08Å; D987-K991 WeakPolarHBondContact OD2-CE 3.24Å; D987-K991 IonicContact OD2-NZ 3.83Å; D987-K991 PolarHBondContact OD2-NZ 2.97Å
988D76.2Confident70.4Confident56 Ų5670.1 Ų70.130%0.29940%0.404SS..Hα-helixtrans-65.5-37.5174.6-75-25.1000113S984 M985 G992 M993 Y994S984-D988 PolarHBondContact O-N 3.49Å; M985-D988 PolarHBondContact O-N 3.34Å; D988-G992 PolarHBondContact O-N 3.35Å; D988-M993 PolarHBondContact O-N 3.41Å; D988-M993 VanDerWaalsContact O-N 3.08Å; D988-Y994 HydrophobicContact CB-CD2 4.42Å; D988-Y994 PolarHBondContact O-N 3.35Å; D988-Y994 VanDerWaalsContact O-N 3.16Å
989L73.8Confident68.6Low73 Ų7374.6 Ų74.638%0.38243%0.431SS..Hα-helixtrans-67.1-46.5175.6-75.8166.7000111.2M985 Y986 K991 G992 Y994M985-L989 WeakPolarHBondContact O-CB 3.33Å; M985-L989 VanDerWaalsContact O-CG 3.29Å; M985-L989 WeakPolarHBondContact O-CG 3.5Å; M985-L989 PolarHBondContact O-N 3.03Å; Y986-L989 HydrophobicContact CD1-CD1 4.41Å; Y986-L989 PolarHBondContact O-N 3.38Å; L989-K991 VanDerWaalsContact C-N 3.33Å; L989-K991 PolarHBondContact O-N 3.38Å; L989-G992 PolarHBondContact O-N 2.81Å; L989-G992 VanDerWaalsContact O-N 3.16Å; L989-Y994 HydrophobicContact CD2-CD1 3.81Å; L989-Y994 HydrophobicContact CD2-CG 3.92Å; L989-Y994 HydrophobicContact CG-CG 4.41Å
990D75.3Confident66.7Low136 Ų13675.3 Ų75.373%0.72744%0.435SS*.Hα-helixtrans-66-35.1179-76.1-15.8000112Y986 D987 G992Y986-D990 WeakPolarHBondContact O-CB 3.33Å; Y986-D990 VanDerWaalsContact O-CG 3.31Å; Y986-D990 PolarHBondContact O-N 3.15Å; D987-D990 PolarHBondContact O-N 2.89Å; D990-G992 VanDerWaalsContact C-N 3.27Å; D990-G992 PolarHBondContact O-N 3.28Å
991K73.1Confident65.1Low128 Ų12879.5 Ų79.556%0.55745%0.446SS*.THydrogen-bonded Turntrans-79-5.9176-72.2171.2178.31650113.8D987 L989 M993D987-K991 VanDerWaalsContact O-CB 3.3Å; D987-K991 WeakPolarHBondContact O-CB 3.43Å; D987-K991 VanDerWaalsContact O-CG 3.26Å; D987-K991 WeakPolarHBondContact O-CG 3.17Å; D987-K991 PolarHBondContact O-N 3.31Å; D987-K991 WeakPolarHBondContact OD1-CE 2.97Å; D987-K991 IonicContact OD1-NZ 2.84Å; D987-K991 PolarHBondContact OD1-NZ 3.08Å; D987-K991 WeakPolarHBondContact OD2-CE 3.24Å; D987-K991 IonicContact OD2-NZ 3.83Å; D987-K991 PolarHBondContact OD2-NZ 2.97Å; L989-K991 VanDerWaalsContact C-N 3.33Å; L989-K991 PolarHBondContact O-N 3.38Å; K991-M993 HydrophobicContact CB-CB 4.5Å; K991-M993 HydrophobicContact CB-CG 4.17Å; K991-M993 PolarHBondContact O-N 2.74Å; K991-M993 VanDerWaalsContact O-N 3.12Å
992G62.6Low63.7Low65 Ų6579.2 Ų79.267%0.6745%0.449SS*.THydrogen-bonded Turntrans61.815.6-175.200000114D988 L989 D990 Y994D988-G992 PolarHBondContact O-N 3.35Å; L989-G992 PolarHBondContact O-N 2.81Å; L989-G992 VanDerWaalsContact O-N 3.16Å; D990-G992 VanDerWaalsContact C-N 3.27Å; D990-G992 PolarHBondContact O-N 3.28Å; G992-Y994 VanDerWaalsContact C-N 3.29Å
993M55.8Low62.5Low146 Ų14681.7 Ų81.772%0.71946%0.458SS*.  trans-82.5-11.7176.5-72.3-167.665.200112.1D988 K991 G995D988-M993 PolarHBondContact O-N 3.41Å; D988-M993 VanDerWaalsContact O-N 3.08Å; K991-M993 HydrophobicContact CB-CB 4.5Å; K991-M993 HydrophobicContact CB-CG 4.17Å; K991-M993 PolarHBondContact O-N 2.74Å; K991-M993 VanDerWaalsContact O-N 3.12Å; M993-G995 VanDerWaalsContact C-N 3.29Å; M993-G995 PolarHBondContact O-N 2.78Å
994Y53.8Low61.4Low83 Ų8384.1 Ų84.133%0.32546%0.462SS..  trans-71.580.3171.6-162.3-97.1000111.7P773 D988 L989 G992P773-Y994 HydrophobicContact CB-CE1 4.22Å; P773-Y994 HydrophobicContact CG-CE1 4.5Å; P773-Y994 VanDerWaalsContact CG-OH 3.28Å; P773-Y994 WeakPolarHBondContact CG-OH 3.32Å; D988-Y994 HydrophobicContact CB-CD2 4.42Å; D988-Y994 PolarHBondContact O-N 3.35Å; D988-Y994 VanDerWaalsContact O-N 3.16Å; L989-Y994 HydrophobicContact CD2-CD1 3.81Å; L989-Y994 HydrophobicContact CD2-CG 3.92Å; L989-Y994 HydrophobicContact CG-CG 4.41Å; G992-Y994 VanDerWaalsContact C-N 3.29Å
995G47.8Very low60.4Low50 Ų5083.3 Ų83.352%0.51546%0.46SS..  trans-82.8135.6161.700000109.3M993 S997M993-G995 VanDerWaalsContact C-N 3.29Å; M993-G995 PolarHBondContact O-N 2.78Å; G995-S997 VanDerWaalsContact C-N 3.27Å; G995-S997 PolarHBondContact O-N 3.22Å
996P46.3Very low59.8Low92 Ų9288.4 Ų88.460%0.59748%0.477SS*.  trans-58.8101.8164.124.7-29.7000105.8S998P996-S998 PolarHBondContact O-N 3.31Å
997S41Very low59.1Low62 Ų6290 Ų9043%0.43448%0.484SS..  trans-51.4144.6-176.457.80000108G995 V999 N1000G995-S997 VanDerWaalsContact C-N 3.27Å; G995-S997 PolarHBondContact O-N 3.22Å; S997-V999 PolarHBondContact O-N 2.78Å; S997-V999 WeakPolarHBondContact OG-CB 3.38Å; S997-N1000 WeakPolarHBondContact O-CB 3.47Å; S997-N1000 PolarHBondContact O-N 3.47Å
998S42Very low58.5Low109 Ų10993 Ų9376%0.76250%0.496SS*.Hα-helixtrans-51.8-20.4172.351.70000112.4P996 S1002P996-S998 PolarHBondContact O-N 3.31Å; S998-S1002 PolarHBondContact O-N 3.43Å
999V45Very low58.3Low97 Ų9796.3 Ų96.359%0.58851%0.51SS*.Hα-helixtrans-62-39.7170-170.20000112.7S997 S1002 W1003S997-V999 PolarHBondContact O-N 2.78Å; S997-V999 WeakPolarHBondContact OG-CB 3.38Å; V999-S1002 PolarHBondContact O-N 3.03Å; V999-W1003 WeakPolarHBondContact O-CB 3.39Å; V999-W1003 PolarHBondContact O-N 3.5Å
1000N48.8Very low58.2Low48 Ų4893.8 Ų93.826%0.25750%0.496SS..Hα-helixtrans-73.5-35.6-174.5-147.9-3.3000113.1S997 W1003 R1004S997-N1000 WeakPolarHBondContact O-CB 3.47Å; S997-N1000 PolarHBondContact O-N 3.47Å; N1000-W1003 PolarHBondContact O-N 2.93Å; N1000-R1004 WeakPolarHBondContact O-CG 3.36Å; N1000-R1004 PolarHBondContact O-N 3.39Å
1001R50.8Low58.1Low206 Ų20689.6 Ų89.678%0.77747%0.472SS*.Hα-helixtrans-70.2-42.5169.9-84-171.7-160.3170.37.1112.4W1003 R1004 A1005R1001-W1003 PolarHBondContact O-N 3.22Å; R1001-R1004 PolarHBondContact O-N 3.05Å; R1001-A1005 PolarHBondContact O-N 3.46Å
1002S54.5Low58.2Low47 Ų4789.6 Ų89.633%0.32947%0.474SS..Hα-helixtrans-64-30175.1179.80000112S998 V999 R1006S998-S1002 PolarHBondContact O-N 3.43Å; V999-S1002 PolarHBondContact O-N 3.03Å; S1002-R1006 WeakPolarHBondContact O-CB 3.22Å; S1002-R1006 VanDerWaalsContact O-CG 3.26Å; S1002-R1006 WeakPolarHBondContact O-CG 3.36Å; S1002-R1006 PolarHBondContact O-N 2.92Å; S1002-R1006 PolarHBondContact OG-NE 3.5Å
1003W58.5Low58.8Low51 Ų5188 Ų8819%0.19345%0.452CS..Hα-helixtrans-74.4-46.9176.9179.389.1000111.7D765 V999 N1000 R1001 A1005 R1006 K1007D765-W1003 HydrophobicContact CB-CZ2 3.77Å; V999-W1003 WeakPolarHBondContact O-CB 3.39Å; V999-W1003 PolarHBondContact O-N 3.5Å; N1000-W1003 PolarHBondContact O-N 2.93Å; R1001-W1003 PolarHBondContact O-N 3.22Å; W1003-A1005 VanDerWaalsContact C-N 3.34Å; W1003-A1005 PolarHBondContact O-N 2.92Å; W1003-R1006 PolarHBondContact O-N 2.86Å; W1003-K1007 HydrophobicContact CH2-CD 3.56Å; W1003-K1007 HydrophobicContact CZ2-CD 4.02Å; W1003-K1007 HydrophobicContact CZ3-CD 3.87Å; W1003-K1007 VanDerWaalsContact O-CB 3.24Å; W1003-K1007 WeakPolarHBondContact O-CB 3.3Å; W1003-K1007 PolarHBondContact O-N 3.44Å
1004R61.3Low59.8Low123 Ų12381.1 Ų81.146%0.46442%0.418SS..Hα-helixtrans-58.6-42.2176.8-73.4-174.2-173.7-172.7-0.8112.3D774 N1000 R1001 K1007 E1008D774-R1004 IonicContact OD2-NH2 3.46Å; D774-R1004 PolarHBondContact OD2-NH2 3.46Å; D774-R1004 VanDerWaalsContact OD2-NH2 3.1Å; N1000-R1004 WeakPolarHBondContact O-CG 3.36Å; N1000-R1004 PolarHBondContact O-N 3.39Å; R1001-R1004 PolarHBondContact O-N 3.05Å; R1004-K1007 WeakPolarHBondContact O-CB 3.36Å; R1004-K1007 PolarHBondContact O-N 2.97Å; R1004-E1008 PolarHBondContact O-N 3.48Å
1005A62Low60.8Low50 Ų5080.9 Ų80.941%0.41342%0.422SS..Hα-helixtrans-66.2-43.9176.400000113R1001 W1003 K1007 E1008 E1009R1001-A1005 PolarHBondContact O-N 3.46Å; W1003-A1005 VanDerWaalsContact C-N 3.34Å; W1003-A1005 PolarHBondContact O-N 2.92Å; A1005-K1007 VanDerWaalsContact C-N 3.3Å; A1005-K1007 PolarHBondContact O-N 3.44Å; A1005-E1008 PolarHBondContact O-N 2.65Å; A1005-E1009 PolarHBondContact O-N 3.2Å
1006R64.6Low62.1Low142 Ų14282.4 Ų82.454%0.53642%0.418SS..Hα-helixtrans-65.6-34.1175.3-74.3178.7-161.2-170.37.4112.6S1002 W1003 E1009 D1010S1002-R1006 WeakPolarHBondContact O-CB 3.22Å; S1002-R1006 VanDerWaalsContact O-CG 3.26Å; S1002-R1006 WeakPolarHBondContact O-CG 3.36Å; S1002-R1006 PolarHBondContact O-N 2.92Å; S1002-R1006 PolarHBondContact OG-NE 3.5Å; W1003-R1006 PolarHBondContact O-N 2.86Å; R1006-E1009 PolarHBondContact O-N 3.19Å; R1006-D1010 WeakPolarHBondContact O-CB 3.37Å; R1006-D1010 PolarHBondContact O-N 2.86Å
1007K67.3Low63.6Low54 Ų5478 Ų7824%0.23539%0.389CS..Hα-helixtrans-60.6-47.6176.1173.3176.6172.2170.30111.3L763 W1003 R1004 A1005 D1010 E1011L763-K1007 HydrophobicContact CB-CD 4.24Å; L763-K1007 HydrophobicContact CB-CG 3.86Å; L763-K1007 HydrophobicContact CD1-CG 4.41Å; L763-K1007 WeakPolarHBondContact O-CE 3.26Å; L763-K1007 PolarHBondContact O-NZ 3.34Å; W1003-K1007 HydrophobicContact CH2-CD 3.56Å; W1003-K1007 HydrophobicContact CZ2-CD 4.02Å; W1003-K1007 HydrophobicContact CZ3-CD 3.87Å; W1003-K1007 VanDerWaalsContact O-CB 3.24Å; W1003-K1007 WeakPolarHBondContact O-CB 3.3Å; W1003-K1007 PolarHBondContact O-N 3.44Å; R1004-K1007 WeakPolarHBondContact O-CB 3.36Å; R1004-K1007 PolarHBondContact O-N 2.97Å; A1005-K1007 VanDerWaalsContact C-N 3.3Å; A1005-K1007 PolarHBondContact O-N 3.44Å; K1007-D1010 PolarHBondContact O-N 2.93Å; K1007-E1011 WeakPolarHBondContact CE-OE1 3.46Å; K1007-E1011 IonicContact NZ-OE1 3.36Å; K1007-E1011 WeakPolarHBondContact O-CB 3.34Å; K1007-E1011 PolarHBondContact O-N 3.34Å
1008E68.6Low65.2Low134 Ų13476.8 Ų76.863%0.62638%0.377SS*.Hα-helixtrans-62.5-43.6178.2-72.5172-172.300111.4R1004 A1005 E1011 E1012R1004-E1008 PolarHBondContact O-N 3.48Å; A1005-E1008 PolarHBondContact O-N 2.65Å; E1008-E1011 PolarHBondContact O-N 3.5Å; E1008-E1012 WeakPolarHBondContact O-CB 3.47Å; E1008-E1012 PolarHBondContact O-N 2.91Å
1009E70.9Confident66.8Low127 Ų12775.9 Ų75.959%0.59337%0.367SS*.Hα-helixtrans-63.3-42.5176.1-71.7-179.717400113.2A1005 R1006 T1013A1005-E1009 PolarHBondContact O-N 3.2Å; R1006-E1009 PolarHBondContact O-N 3.19Å; E1009-T1013 WeakPolarHBondContact O-CB 3.37Å; E1009-T1013 PolarHBondContact O-N 3.45Å; E1009-T1013 PolarHBondContact O-OG1 2.88Å
1010D73.3Confident68.2Low20 Ų2075 Ų7511%0.10736%0.357CS..Hα-helixtrans-70.6-39178.3-79.9-27.4000111.4H744 L763 R1006 K1007 T1013 I1014H744-D1010 IonicContact CD2-OD1 2.88Å; H744-D1010 IonicContact CD2-OD2 3.21Å; H744-D1010 IonicContact CE1-OD1 3.55Å; H744-D1010 IonicContact NE2-OD1 3.66Å; H744-D1010 PolarHBondContact NE2-OD1 2.88Å; H744-D1010 IonicContact NE2-OD2 2.97Å; L763-D1010 HydrophobicContact CD1-CB 3.47Å; L763-D1010 VanDerWaalsContact CD1-CB 3.47Å; R1006-D1010 WeakPolarHBondContact O-CB 3.37Å; R1006-D1010 PolarHBondContact O-N 2.86Å; K1007-D1010 PolarHBondContact O-N 2.93Å; D1010-T1013 PolarHBondContact O-N 2.9Å; D1010-I1014 WeakPolarHBondContact O-CB 3.48Å; D1010-I1014 WeakPolarHBondContact O-CD1 3.33Å; D1010-I1014 WeakPolarHBondContact O-CG1 3.43Å; D1010-I1014 PolarHBondContact O-N 2.96Å
1011E72.3Confident69.3Low47 Ų4773.9 Ų73.922%0.2235%0.351CS..Hα-helixtrans-61.8-43173.9-87173.5-172.100111.9L763 K1007 E1008 I1014 N1015L763-E1011 HydrophobicContact CB-CG 4.45Å; L763-E1011 HydrophobicContact CD1-CG 4.01Å; L763-E1011 HydrophobicContact CG-CG 4.33Å; L763-E1011 PolarHBondContact N-OE1 3.32Å; K1007-E1011 WeakPolarHBondContact CE-OE1 3.46Å; K1007-E1011 IonicContact NZ-OE1 3.36Å; K1007-E1011 WeakPolarHBondContact O-CB 3.34Å; K1007-E1011 PolarHBondContact O-N 3.34Å; E1008-E1011 PolarHBondContact O-N 3.5Å; E1011-I1014 PolarHBondContact O-N 3.25Å; E1011-N1015 PolarHBondContact O-N 3.13Å; E1011-N1015 PolarHBondContact O-ND2 3.44Å
1012E74.9Confident70.2Confident128 Ų12868.9 Ų68.960%0.59835%0.347SS*.Hα-helixtrans-62.4-44.8174.8-169.4177.6-173.700111.4E1008 I1014 N1015 I1016E1008-E1012 WeakPolarHBondContact O-CB 3.47Å; E1008-E1012 PolarHBondContact O-N 2.91Å; E1012-I1014 VanDerWaalsContact C-N 3.33Å; E1012-I1014 PolarHBondContact O-N 3.06Å; E1012-N1015 PolarHBondContact O-N 2.95Å; E1012-I1016 HydrophobicContact CG-CD1 4.26Å; E1012-I1016 WeakPolarHBondContact O-CG1 3.28Å; E1012-I1016 PolarHBondContact O-N 2.87Å
1013T74.8Confident70.6Confident32 Ų3270.8 Ų70.820%0.19636%0.361CS..Hα-helixtrans-61.1-41.2177.9-59.20000112.1L742 E1009 D1010 I1016 L1017L742-T1013 HydrophobicContact CD2-CG2 4Å; E1009-T1013 WeakPolarHBondContact O-CB 3.37Å; E1009-T1013 PolarHBondContact O-N 3.45Å; E1009-T1013 PolarHBondContact O-OG1 2.88Å; D1010-T1013 PolarHBondContact O-N 2.9Å; T1013-I1016 PolarHBondContact O-N 3.37Å; T1013-L1017 PolarHBondContact O-N 3.47Å; T1013-L1017 VanDerWaalsContact O-N 3.1Å
1014I76.7Confident70.5Confident1 Ų171.7 Ų71.71%0.00537%0.372CS..Hα-helixtrans-64.6-42.6176.6-73.3166.9000111.3F667 L745 L752 L761 L763 D1010 E1011 E1012 I1016 L1017 L1018F667-I1014 HydrophobicContact CD2-CG2 4.07Å; F667-I1014 HydrophobicContact CE2-CB 4.47Å; F667-I1014 HydrophobicContact CE2-CG1 4.01Å; F667-I1014 HydrophobicContact CE2-CG2 3.99Å; F667-I1014 HydrophobicContact CZ-CG1 4.25Å; L745-I1014 HydrophobicContact CD2-CD1 4.44Å; L752-I1014 HydrophobicContact CD1-CD1 4.46Å; L752-I1014 HydrophobicContact CD2-CD1 3.65Å; L761-I1014 HydrophobicContact CB-CG2 4.35Å; L761-I1014 HydrophobicContact CD1-CG2 3.27Å; L761-I1014 HydrophobicContact CG-CG2 4.41Å; L763-I1014 HydrophobicContact CD1-CD1 4.4Å; D1010-I1014 WeakPolarHBondContact O-CB 3.48Å; D1010-I1014 WeakPolarHBondContact O-CD1 3.33Å; D1010-I1014 WeakPolarHBondContact O-CG1 3.43Å; D1010-I1014 PolarHBondContact O-N 2.96Å; E1011-I1014 PolarHBondContact O-N 3.25Å; E1012-I1014 VanDerWaalsContact C-N 3.33Å; E1012-I1014 PolarHBondContact O-N 3.06Å; I1014-I1016 VanDerWaalsContact C-N 3.34Å; I1014-I1016 PolarHBondContact O-N 3.03Å; I1014-L1017 WeakPolarHBondContact O-CB 3.39Å; I1014-L1017 PolarHBondContact O-N 3.41Å; I1014-L1018 PolarHBondContact O-N 3.17Å
1015N75.1Confident69.9Low78 Ų7870.8 Ų70.842%0.41738%0.382SS..Hα-helixtrans-65.2-37.5178-75.6-34.6000112.2E1011 E1012 L1018 T1019E1011-N1015 PolarHBondContact O-N 3.13Å; E1011-N1015 PolarHBondContact O-ND2 3.44Å; E1012-N1015 PolarHBondContact O-N 2.95Å; N1015-L1018 PolarHBondContact O-N 3.04Å; N1015-T1019 WeakPolarHBondContact O-CB 3.34Å; N1015-T1019 PolarHBondContact O-N 2.72Å; N1015-T1019 PolarHBondContact O-OG1 3.05Å
1016I76.4Confident69.4Low82 Ų8279 Ų7942%0.42141%0.409SS..Hα-helixtrans-62.2-46.8174-68.1164.9000110.4E1012 T1013 I1014 L1018 T1019 Q1020E1012-I1016 HydrophobicContact CG-CD1 4.26Å; E1012-I1016 WeakPolarHBondContact O-CG1 3.28Å; E1012-I1016 PolarHBondContact O-N 2.87Å; T1013-I1016 PolarHBondContact O-N 3.37Å; I1014-I1016 VanDerWaalsContact C-N 3.34Å; I1014-I1016 PolarHBondContact O-N 3.03Å; I1016-L1018 PolarHBondContact O-N 3.41Å; I1016-T1019 PolarHBondContact O-N 3.4Å; I1016-Q1020 HydrophobicContact CG2-CG 4.36Å; I1016-Q1020 WeakPolarHBondContact O-CG 3.22Å; I1016-Q1020 PolarHBondContact O-N 3.1Å
1017L76.2Confident68.6Low1 Ų177.5 Ų77.51%0.00542%0.42CS..Hα-helixtrans-58.6-46.8178-85.5170.9000112.6L668 I733 T737 L742 T1013 I1014 T1019 L1021L668-L1017 HydrophobicContact CD2-CB 4.16Å; I733-L1017 HydrophobicContact CG2-CD2 4.21Å; T737-L1017 HydrophobicContact CG2-CD1 4.31Å; T737-L1017 HydrophobicContact CG2-CD2 3.28Å; T737-L1017 HydrophobicContact CG2-CG 3.84Å; L742-L1017 HydrophobicContact CD1-CD1 4.38Å; T1013-L1017 PolarHBondContact O-N 3.47Å; T1013-L1017 VanDerWaalsContact O-N 3.1Å; I1014-L1017 WeakPolarHBondContact O-CB 3.39Å; I1014-L1017 PolarHBondContact O-N 3.41Å; L1017-T1019 VanDerWaalsContact C-N 3.32Å; L1017-T1019 PolarHBondContact O-N 3.11Å; L1017-L1021 WeakPolarHBondContact O-CB 3.33Å; L1017-L1021 WeakPolarHBondContact O-CG 3.17Å; L1017-L1021 PolarHBondContact O-N 3.34Å
1018L76.3Confident68.1Low35 Ų3577.7 Ų77.718%0.18343%0.427CS..Hα-helixtrans-60.4-42.7176.5-76177.5000111.9L668 Y670 L761 I1014 N1015 I1016 S1022L668-L1018 HydrophobicContact CD2-CD2 3.85Å; L668-L1018 HydrophobicContact CD2-CG 4.31Å; Y670-L1018 HydrophobicContact CE1-CD2 4.24Å; L761-L1018 HydrophobicContact CD1-CD1 3.48Å; L761-L1018 VanDerWaalsContact CD1-CD1 3.48Å; L761-L1018 HydrophobicContact CD1-CG 4.39Å; I1014-L1018 PolarHBondContact O-N 3.17Å; N1015-L1018 PolarHBondContact O-N 3.04Å; I1016-L1018 PolarHBondContact O-N 3.41Å; L1018-S1022 VanDerWaalsContact O-CB 3.27Å; L1018-S1022 WeakPolarHBondContact O-CB 3.48Å; L1018-S1022 PolarHBondContact O-N 3.21Å; L1018-S1022 VanDerWaalsContact O-N 3.09Å; L1018-S1022 PolarHBondContact O-OG 3.48Å
1019T75.1Confident68Low90 Ų9075.2 Ų75.255%0.55243%0.425SS*.Hα-helixtrans-67.6-45.6-178.5-520000111.5N1015 I1016 L1017 S1022 S1023N1015-T1019 WeakPolarHBondContact O-CB 3.34Å; N1015-T1019 PolarHBondContact O-N 2.72Å; N1015-T1019 PolarHBondContact O-OG1 3.05Å; I1016-T1019 PolarHBondContact O-N 3.4Å; L1017-T1019 VanDerWaalsContact C-N 3.32Å; L1017-T1019 PolarHBondContact O-N 3.11Å; T1019-S1022 PolarHBondContact O-N 3.02Å; T1019-S1022 PolarHBondContact O-OG 3.39Å; T1019-S1023 PolarHBondContact O-N 2.87Å; T1019-S1023 PolarHBondContact O-OG 3.31Å
1020Q74Confident68.3Low79 Ų7973.9 Ų73.937%0.36942%0.417SS..Hα-helixtrans-66.2-44.3179.8-73.6-175.2-19.200112.7C736 I1016 S1022 S1023 T1024C736-Q1020 PolarHBondContact O-OE1 3.03Å; I1016-Q1020 HydrophobicContact CG2-CG 4.36Å; I1016-Q1020 WeakPolarHBondContact O-CG 3.22Å; I1016-Q1020 PolarHBondContact O-N 3.1Å; Q1020-S1022 VanDerWaalsContact C-N 3.27Å; Q1020-S1022 PolarHBondContact O-N 3.46Å; Q1020-S1023 PolarHBondContact O-N 3.46Å; Q1020-S1023 PolarHBondContact O-OG 2.96Å; Q1020-S1023 VanDerWaalsContact O-OG 3.05Å; Q1020-T1024 PolarHBondContact O-N 3.41Å; Q1020-T1024 PolarHBondContact O-OG1 3.34Å
1021L72.6Confident68.8Low25 Ų2576.2 Ų76.213%0.13143%0.432CS..Hα-helixtrans-69.3-26.7178.9-71.3168.3000112.7L668 Y728 L1017 T1024L668-L1021 HydrophobicContact CD1-CD1 3.68Å; L668-L1021 HydrophobicContact CD2-CD1 4.04Å; L668-L1021 HydrophobicContact CG-CD1 4.39Å; Y728-L1021 HydrophobicContact CD2-CD2 4.29Å; Y728-L1021 HydrophobicContact CE2-CD2 4.26Å; L1017-L1021 WeakPolarHBondContact O-CB 3.33Å; L1017-L1021 WeakPolarHBondContact O-CG 3.17Å; L1017-L1021 PolarHBondContact O-N 3.34Å; L1021-T1024 PolarHBondContact O-OG1 2.89Å
1022S69.2Low69.4Low100 Ų10078.6 Ų78.670%0.69945%0.446SS*.Hα-helixtrans-74.7-22.1174.372.60000114.1L1018 T1019 Q1020L1018-S1022 VanDerWaalsContact O-CB 3.27Å; L1018-S1022 WeakPolarHBondContact O-CB 3.48Å; L1018-S1022 PolarHBondContact O-N 3.21Å; L1018-S1022 VanDerWaalsContact O-N 3.09Å; L1018-S1022 PolarHBondContact O-OG 3.48Å; T1019-S1022 PolarHBondContact O-N 3.02Å; T1019-S1022 PolarHBondContact O-OG 3.39Å; Q1020-S1022 VanDerWaalsContact C-N 3.27Å; Q1020-S1022 PolarHBondContact O-N 3.46Å
1023S63.2Low70Confident88 Ų8874 Ų7462%0.61543%0.427SS*.Hα-helixtrans-102.4-14.1-175.252.50000114.6T1019 Q1020T1019-S1023 PolarHBondContact O-N 2.87Å; T1019-S1023 PolarHBondContact O-OG 3.31Å; Q1020-S1023 PolarHBondContact O-N 3.46Å; Q1020-S1023 PolarHBondContact O-OG 2.96Å; Q1020-S1023 VanDerWaalsContact O-OG 3.05Å
1024T56.9Low70.7Confident69 Ų6977.3 Ų77.342%0.42344%0.443SS..SBendtrans-67134.9178.624.30000114.4Q1020 L1021Q1020-T1024 PolarHBondContact O-N 3.41Å; Q1020-T1024 PolarHBondContact O-OG1 3.34Å; L1021-T1024 PolarHBondContact O-OG1 2.89Å
1025P48Very low71.3Confident104 Ų10478 Ų7868%0.67545%0.447SS*.  trans-66157.8176.8-15.928.5000114S1027P1025-S1027 PolarHBondContact O-N 2.85Å
1026K51.8Low72Confident224 Ų22478.4 Ų78.497%0.97445%0.452SS*.SBendtrans-56.716-173.6-70.9176.2174.5174.40118.2
1027S47.7Very low72.3Confident110 Ų11075.4 Ų75.477%0.76944%0.442SS*.  trans-90.21.2-173.368.10000116.3P1025P1025-S1027 PolarHBondContact O-N 2.85Å
1028C56.7Low73.1Confident57 Ų5775.6 Ų75.639%0.38544%0.443SS..SBendtrans-92.2134.6-178.7-730000113.4Y728 K1030Y728-C1028 HydrophobicContact CD1-CB 4.45Å; Y728-C1028 HydrophobicContact CE1-CB 4.16Å; C1028-K1030 PolarHBondContact O-N 3.27Å
1029S65.4Low73.8Confident83 Ų8375.3 Ų75.358%0.5844%0.444SS*.  trans-71.9108.1174.258.60000111.1
1030K78.3Confident74.5Confident99 Ų9971.4 Ų71.443%0.4342%0.42SS..  trans-85.5146.8175.5-63.7-179.9179.1-175.90110.7Q726 T727 Y728 C1028Q726-K1030 HydrophobicContact CB-CD 4.18Å; T727-K1030 WeakPolarHBondContact O-CA 3.49Å; Y728-K1030 HydrophobicContact CE1-CG 4.33Å; Y728-K1030 WeakPolarHBondContact OH-CE 3.31Å; C1028-K1030 PolarHBondContact O-N 3.27Å
1031T82.5Confident75.2Confident69 Ų6968.7 Ų68.742%0.42341%0.41SS..EExtended strand (participates in β ladder)trans-110.4141.3174.360.30000110.4T727T727-T1031 PolarHBondContact N-O 3.49Å; T727-T1031 PolarHBondContact O-N 2.98Å; T727-T1031 PolarHBondContact OG1-O 2.98Å; T727-T1031 PolarHBondContact OG1-OG1 3.5Å; T727-T1031 VanDerWaalsContact OG1-OG1 3.06Å
1032N85.7Confident76Confident96 Ų9667.7 Ų67.751%0.51340%0.404SS..EExtended strand (participates in β ladder)trans-89.3128.5177.4-69-4.6000109.9E724 L725E724-N1032 PolarHBondContact OE2-ND2 3.46Å; L725-N1032 WeakPolarHBondContact O-CA 3.46Å
1033V87Confident76.9Confident33 Ų3366.4 Ų66.420%0.239%0.387CS..EExtended strand (participates in β ladder)trans-114.9124.6175.1177.90000109P663 E724 L725 T727P663-V1033 HydrophobicContact CB-CG2 4.48Å; E724-V1033 WeakPolarHBondContact CA-O 3.48Å; L725-V1033 PolarHBondContact N-O 2.89Å; L725-V1033 PolarHBondContact O-N 2.82Å; T727-V1033 HydrophobicContact CG2-CB 4.22Å; T727-V1033 HydrophobicContact CG2-CG2 3.89Å
1034N90.1Very high78.1Confident100 Ų10062.6 Ų62.654%0.53536%0.36SS..EExtended strand (participates in β ladder)trans-80.5122.1176.2-68.2-26.5000110.1N661 E724N661-N1034 PolarHBondContact ND2-O 3.02Å; E724-N1034 WeakPolarHBondContact CG-OD1 3.1Å
1035L89.7Confident79.7Confident16 Ų1663.5 Ų63.58%0.08436%0.363CS..  trans-82.5154.9175.9-59.9178.2000111.2V659 L662 L673 L676 M723 L725V659-L1035 HydrophobicContact CG1-CB 3.93Å; V659-L1035 HydrophobicContact CG1-CD1 4.02Å; V659-L1035 HydrophobicContact CG1-CD2 4.45Å; V659-L1035 HydrophobicContact CG1-CG 4.38Å; L662-L1035 HydrophobicContact CD2-CD2 4.33Å; L662-L1035 HydrophobicContact CG-CD2 4.17Å; L673-L1035 HydrophobicContact CD2-CD1 3.62Å; L676-L1035 HydrophobicContact CD1-CD1 4.09Å; M723-L1035 HydrophobicContact CB-CB 3.92Å; M723-L1035 HydrophobicContact CB-CD1 4.3Å; M723-L1035 HydrophobicContact CB-CG 4.5Å; M723-L1035 HydrophobicContact CE-CB 4.27Å; M723-L1035 HydrophobicContact CE-CD1 3.73Å; M723-L1035 PolarHBondContact O-N 3.16Å; L725-L1035 HydrophobicContact CD1-CD1 3.92Å; L725-L1035 HydrophobicContact CD1-CD2 3.77Å; L725-L1035 HydrophobicContact CD1-CG 4.21Å; L725-L1035 HydrophobicContact CD2-CD1 4.08Å; L725-L1035 HydrophobicContact CG-CD1 3.66Å; L725-L1035 HydrophobicContact CG-CD2 4.08Å; L725-L1035 HydrophobicContact CG-CG 3.99Å
1036V88.6Confident81.8Confident86 Ų8659.1 Ų59.152%0.52133%0.333SS..EExtended strand (participates in β ladder)trans-112.1127.7173.6177.70000109.2R660 N661R660-V1036 HydrophobicContact CB-CB 4.25Å; R660-V1036 PolarHBondContact N-O 2.92Å; R660-V1036 PolarHBondContact O-N 2.99Å; N661-V1036 HydrophobicContact CB-CB 4.34Å; N661-V1036 HydrophobicContact CB-CG2 3.94Å
1037G84.3Confident83.6Confident20 Ų2051.8 Ų51.821%0.20630%0.3CS..EExtended strand (participates in β ladder)trans115.6-163.1-174.900000111.6
1038P91.2Very high85.6Confident4 Ų446.8 Ų46.83%0.02627%0.265CS..EExtended strand (participates in β ladder)cis-66.3151.81.530.2-39.3000113.5V657 M658 V659 F677 A713 M716 A717 M723V657-P1038 HydrophobicContact CB-CB 4.05Å; V657-P1038 HydrophobicContact CG2-CB 3.96Å; M658-P1038 CarbonylContact O-C 3.23Å; M658-P1038 WeakPolarHBondContact O-CA 3.22Å; V659-P1038 HydrophobicContact CG2-CB 4.39Å; F677-P1038 HydrophobicContact CE1-CB 4.05Å; F677-P1038 HydrophobicContact CE1-CG 3.98Å; F677-P1038 HydrophobicContact CZ-CB 4.1Å; F677-P1038 HydrophobicContact CZ-CG 4.35Å; A713-P1038 VanDerWaalsContact C-CG 3.44Å; A713-P1038 HydrophobicContact CB-CG 4.25Å; A713-P1038 WeakPolarHBondContact O-CG 3.42Å; M716-P1038 HydrophobicContact CB-CG 4.5Å; A717-P1038 HydrophobicContact CB-CG 4.47Å; A717-P1038 VanDerWaalsContact CB-O 3.29Å; A717-P1038 WeakPolarHBondContact CB-O 3.44Å; M723-P1038 VanDerWaalsContact SD-CD 3.51Å
1039S91.1Very high86.8Confident29 Ų2945 Ų4520%0.20325%0.251CS..EExtended strand (participates in β ladder)trans-143.7159.5-177.458.30000111.3M658M658-S1039 PolarHBondContact N-O 3.34Å; M658-S1039 PolarHBondContact O-N 3.32Å; M658-S1039 PolarHBondContact O-OG 3Å
1040S90.9Very high87.4Confident8 Ų841.3 Ų41.36%0.05623%0.226CC..  trans-137135.1171.4178.70000109.1Y1042 Q1043S1040-Y1042 PolarHBondContact O-N 3.44Å; S1040-Y1042 PolarHBondContact OG-N 3.23Å; S1040-Q1043 VanDerWaalsContact O-CB 3.28Å; S1040-Q1043 WeakPolarHBondContact O-CB 3.42Å; S1040-Q1043 PolarHBondContact O-N 2.89Å
1041S88.1Confident87Confident22 Ų2241.4 Ų41.415%0.15422%0.223CC..THydrogen-bonded Turntrans-69.9-15.7176.449.10000113A644 Q1043A644-S1041 PolarHBondContact O-OG 2.88Å; S1041-Q1043 VanDerWaalsContact C-N 3.27Å
1042Y89.3Confident86.5Confident4 Ų441.2 Ų41.22%0.01622%0.217CC..THydrogen-bonded Turntrans-86.83.9175.1-72.5-100.9000112.8I639 A644 C645 L648 P653 S1040 T1044 L1070 N1071 P1074I639-Y1042 WeakPolarHBondContact CD1-O 3.32Å; A644-Y1042 HydrophobicContact CB-CD2 4.14Å; A644-Y1042 HydrophobicContact CB-CE2 3.96Å; C645-Y1042 PolarHBondContact SG-OH 3.09Å; L648-Y1042 HydrophobicContact CB-CE2 4.36Å; L648-Y1042 HydrophobicContact CD2-CD2 3.98Å; L648-Y1042 HydrophobicContact CD2-CE2 3.81Å; P653-Y1042 HydrophobicContact CB-CD1 4.29Å; P653-Y1042 HydrophobicContact CB-CD2 3.62Å; P653-Y1042 HydrophobicContact CB-CE2 4.01Å; P653-Y1042 HydrophobicContact CB-CG 3.76Å; P653-Y1042 HydrophobicContact CG-CD1 4.22Å; P653-Y1042 HydrophobicContact CG-CD2 4.09Å; P653-Y1042 HydrophobicContact CG-CE1 4.14Å; P653-Y1042 HydrophobicContact CG-CE2 4.04Å; P653-Y1042 HydrophobicContact CG-CG 4.17Å; S1040-Y1042 PolarHBondContact O-N 3.44Å; S1040-Y1042 PolarHBondContact OG-N 3.23Å; Y1042-T1044 PolarHBondContact O-N 2.89Å; Y1042-L1070 CarbonylContact O-C 3.54Å; Y1042-L1070 WeakPolarHBondContact O-CA 3.49Å; Y1042-N1071 VanDerWaalsContact CD1-O 3.31Å; Y1042-N1071 WeakPolarHBondContact CD1-O 3.26Å; Y1042-N1071 PolarHBondContact O-N 2.66Å; Y1042-P1074 HydrophobicContact CD1-CG 4.04Å; Y1042-P1074 HydrophobicContact CE1-CG 3.66Å
1043Q89.2Confident86Confident74 Ų7436.7 Ų36.735%0.34619%0.192SC..BIsolated β-bridgetrans-66.2125.8175.1-176.5178-12.300110.2S1040 S1041 V1068 I1069 L1070S1040-Q1043 VanDerWaalsContact O-CB 3.28Å; S1040-Q1043 WeakPolarHBondContact O-CB 3.42Å; S1040-Q1043 PolarHBondContact O-N 2.89Å; S1041-Q1043 VanDerWaalsContact C-N 3.27Å; Q1043-V1068 HydrophobicContact CG-CG1 4.31Å; Q1043-I1069 WeakPolarHBondContact CA-O 3.48Å; Q1043-L1070 HydrophobicContact CB-CD2 4.07Å
1044T88.4Confident85.5Confident7 Ų740.5 Ų40.54%0.04321%0.208CC..  trans-107148.6-179-165.50000111.6Q636 Q637 Y1042 F1046 I1069Q636-T1044 HydrophobicContact CG-CG2 3.77Å; Q636-T1044 WeakPolarHBondContact CG-OG1 3.31Å; Q636-T1044 PolarHBondContact NE2-OG1 3.29Å; Q637-T1044 PolarHBondContact O-OG1 2.89Å; Y1042-T1044 PolarHBondContact O-N 2.89Å; T1044-F1046 HydrophobicContact CG2-CE2 4.03Å; T1044-I1069 HydrophobicContact CG2-CB 4Å; T1044-I1069 HydrophobicContact CG2-CG2 3.74Å; T1044-I1069 PolarHBondContact N-O 3.44Å
1045N89.6Confident84.8Confident89 Ų8943.4 Ų43.448%0.47621%0.212SC..  trans-106.1171.2167.2-63.1-44.2000110.2Q637Q637-N1045 WeakPolarHBondContact CB-O 3.16Å; Q637-N1045 PolarHBondContact N-O 3.32Å
1046F91.8Very high84.6Confident12 Ų1243.3 Ų43.35%0.05321%0.211CC..EExtended strand (participates in β ladder)trans-119156.5176.1-74.6-99.9000109.9F634 F635 Q636 T1044 V1058 I1060 I1069 M1082 I1103F634-F1046 HydrophobicContact CB-CB 4.19Å; F634-F1046 HydrophobicContact CB-CD1 4.28Å; F635-F1046 CarbonylContact O-C 3.53Å; F635-F1046 WeakPolarHBondContact O-CA 3.46Å; Q636-F1046 HydrophobicContact CB-CD1 4.37Å; Q636-F1046 HydrophobicContact CB-CE1 3.84Å; Q636-F1046 HydrophobicContact CB-CZ 4.07Å; Q636-F1046 HydrophobicContact CG-CE1 4.42Å; Q636-F1046 HydrophobicContact CG-CZ 4.17Å; T1044-F1046 HydrophobicContact CG2-CE2 4.03Å; F1046-V1058 HydrophobicContact CB-CG1 4.49Å; F1046-V1058 VanDerWaalsContact O-CB 3.31Å; F1046-V1058 WeakPolarHBondContact O-CB 3.38Å; F1046-I1060 HydrophobicContact CD2-CD1 4.41Å; F1046-I1069 HydrophobicContact CD2-CD1 4.12Å; F1046-I1069 HydrophobicContact CE2-CD1 3.34Å; F1046-I1069 HydrophobicContact CZ-CD1 4.07Å; F1046-M1082 HydrophobicContact CD1-CB 3.72Å; F1046-M1082 HydrophobicContact CD1-CE 4.31Å; F1046-M1082 HydrophobicContact CD1-SD 4.5Å; F1046-M1082 HydrophobicContact CD2-CE 3.84Å; F1046-M1082 HydrophobicContact CE1-CB 3.52Å; F1046-M1082 HydrophobicContact CE1-CE 4.05Å; F1046-M1082 HydrophobicContact CE2-CE 3.58Å; F1046-M1082 HydrophobicContact CG-CE 4.23Å; F1046-M1082 HydrophobicContact CG-SD 4.45Å; F1046-M1082 HydrophobicContact CZ-CB 4.24Å; F1046-M1082 HydrophobicContact CZ-CE 3.68Å; F1046-I1103 HydrophobicContact CZ-CD1 4.49Å
1047Y91Very high84.5Confident70 Ų7043.2 Ų43.228%0.27521%0.21SC..EExtended strand (participates in β ladder)trans-137.6164.9175.967-84.3000110.9F634 F635 Q636 Q637 L1049F634-Y1047 CarbonylContact C-O 3.58Å; F634-Y1047 WeakPolarHBondContact CA-O 3.49Å; F635-Y1047 HydrophobicContact CB-CD1 4.43Å; F635-Y1047 HydrophobicContact CB-CE1 3.88Å; F635-Y1047 HydrophobicContact CB-CE2 4.2Å; F635-Y1047 PolarHBondContact N-O 3.34Å; F635-Y1047 WeakPolarHBondContact O-CD1 3.04Å; F635-Y1047 WeakPolarHBondContact O-CE1 3.26Å; F635-Y1047 PolarHBondContact O-N 3.34Å; Q636-Y1047 WeakPolarHBondContact O-CE1 3.39Å; Q637-Y1047 HydrophobicContact CB-CD1 4.38Å; Y1047-L1049 HydrophobicContact CD2-CD2 4.42Å; Y1047-L1049 HydrophobicContact CE2-CD2 3.62Å; Y1047-L1049 HydrophobicContact CE2-CG 4.17Å
1048S88.4Confident84.9Confident5 Ų543 Ų434%0.03521%0.205CC..EExtended strand (participates in β ladder)trans-100.6142.5177.2-170.80000110.5S1050 T1053 H1054S1048-S1050 PolarHBondContact OG-N 3.05Å; S1048-T1053 WeakPolarHBondContact CB-OG1 3.48Å; S1048-T1053 PolarHBondContact OG-OG1 2.81Å; S1048-H1054 PolarHBondContact O-ND1 3.35Å
1049L82.3Confident84.9Confident18 Ų1845 Ų459%0.09422%0.219CC..  trans-93.6-4.1173.4-75-179.3000113.4F635 Y1047 I1156 L1158F635-L1049 HydrophobicContact CD1-CD1 4.14Å; F635-L1049 HydrophobicContact CD2-CB 4.18Å; F635-L1049 HydrophobicContact CD2-CD1 3.45Å; F635-L1049 VanDerWaalsContact CD2-CD1 3.45Å; F635-L1049 HydrophobicContact CD2-CG 3.47Å; F635-L1049 VanDerWaalsContact CD2-CG 3.47Å; F635-L1049 HydrophobicContact CE1-CD1 3.96Å; F635-L1049 HydrophobicContact CE2-CB 4.01Å; F635-L1049 HydrophobicContact CE2-CD1 3.29Å; F635-L1049 HydrophobicContact CE2-CG 3.65Å; F635-L1049 HydrophobicContact CG-CD1 3.89Å; F635-L1049 HydrophobicContact CG-CG 4.15Å; F635-L1049 HydrophobicContact CZ-CD1 3.55Å; F635-L1049 HydrophobicContact CZ-CG 4.41Å; Y1047-L1049 HydrophobicContact CD2-CD2 4.42Å; Y1047-L1049 HydrophobicContact CE2-CD2 3.62Å; Y1047-L1049 HydrophobicContact CE2-CG 4.17Å; L1049-I1156 HydrophobicContact CB-CG2 3.76Å; L1049-I1156 HydrophobicContact CD1-CG2 4.28Å; L1049-L1158 HydrophobicContact CD1-CD1 3.46Å; L1049-L1158 VanDerWaalsContact CD1-CD1 3.46Å
1050S78.8Confident84.9Confident7 Ų744.7 Ų44.75%0.04922%0.215CC..BIsolated β-bridgetrans-69.4137.5174.5157.80000110.6S1048 K1052 T1053 H1054 E1153S1048-S1050 PolarHBondContact OG-N 3.05Å; S1050-K1052 VanDerWaalsContact C-N 3.26Å; S1050-K1052 PolarHBondContact O-N 3.1Å; S1050-T1053 VanDerWaalsContact CB-OG1 3.23Å; S1050-T1053 WeakPolarHBondContact CB-OG1 3.32Å; S1050-T1053 PolarHBondContact O-N 3.22Å; S1050-T1053 VanDerWaalsContact O-N 3.09Å; S1050-T1053 PolarHBondContact O-OG1 2.98Å; S1050-T1053 VanDerWaalsContact O-OG1 3.14Å; S1050-T1053 PolarHBondContact OG-OG1 3.15Å; S1050-H1054 PolarHBondContact O-N 2.91Å; S1050-E1153 PolarHBondContact OG-O 2.98Å
1051R70.1Confident84.8Confident100 Ų10047.1 Ų47.138%0.37723%0.225SC..THydrogen-bonded Turntrans-54.9-38.5-176.3-81174.5145.8-174.6-3.8113.6Y1230 G1231R1051-Y1230 PolarHBondContact NH2-O 3.31Å; R1051-G1231 VanDerWaalsContact CZ-CA 3.43Å; R1051-G1231 PolarHBondContact NH1-O 3.37Å; R1051-G1231 PolarHBondContact NH2-O 3.42Å
1052K70.4Confident84.6Confident66 Ų6650.8 Ų50.829%0.28724%0.239SC..THydrogen-bonded Turntrans-85.1-9.9-177.1-66.6-166.1-171.91600113.7D356 T357 S1050 Y1055 E1153D356-K1052 HydrophobicContact CB-CD 4.29Å; D356-K1052 WeakPolarHBondContact O-CD 3.41Å; D356-K1052 PolarHBondContact O-NZ 2.86Å; T357-K1052 HydrophobicContact CG2-CB 4.31Å; S1050-K1052 VanDerWaalsContact C-N 3.26Å; S1050-K1052 PolarHBondContact O-N 3.1Å; K1052-Y1055 WeakPolarHBondContact O-CE1 3.15Å; K1052-Y1055 PolarHBondContact O-OH 3.07Å; K1052-E1153 HydrophobicContact CD-CB 3.99Å; K1052-E1153 IonicContact NZ-OE2 3.48Å; K1052-E1153 PolarHBondContact NZ-OE2 3.25Å
1053T76.3Confident84.3Confident0 Ų053.9 Ų53.90%026%0.255CS..THydrogen-bonded Turntrans-118-10.9-174.953.50000113.4T357 Y359 S1048 S1050 Y1055 R1056 I1096T357-T1053 HydrophobicContact CG2-CG2 3.79Å; Y359-T1053 HydrophobicContact CE2-CG2 3.94Å; S1048-T1053 WeakPolarHBondContact CB-OG1 3.48Å; S1048-T1053 PolarHBondContact OG-OG1 2.81Å; S1050-T1053 VanDerWaalsContact CB-OG1 3.23Å; S1050-T1053 WeakPolarHBondContact CB-OG1 3.32Å; S1050-T1053 PolarHBondContact O-N 3.22Å; S1050-T1053 VanDerWaalsContact O-N 3.09Å; S1050-T1053 PolarHBondContact O-OG1 2.98Å; S1050-T1053 VanDerWaalsContact O-OG1 3.14Å; S1050-T1053 PolarHBondContact OG-OG1 3.15Å; T1053-Y1055 PolarHBondContact O-N 2.89Å; T1053-Y1055 VanDerWaalsContact O-N 3.09Å; T1053-R1056 WeakPolarHBondContact O-CB 3.3Å; T1053-R1056 PolarHBondContact O-N 3.02Å; T1053-I1096 HydrophobicContact CG2-CD1 4.12Å
1054H75.4Confident84.3Confident114 Ų11450.4 Ų50.453%0.52824%0.24SC..THydrogen-bonded Turntrans-55.2-31.4-175.4-170.865.7000114.3S1048 S1050S1048-H1054 PolarHBondContact O-ND1 3.35Å; S1050-H1054 PolarHBondContact O-N 2.91Å
1055Y76.6Confident84.4Confident161 Ų16150.4 Ų50.463%0.63124%0.239SC*.THydrogen-bonded Turntrans-83.4-7.817862.9-92.4000114.2K1052 T1053K1052-Y1055 WeakPolarHBondContact O-CE1 3.15Å; K1052-Y1055 PolarHBondContact O-OH 3.07Å; T1053-Y1055 PolarHBondContact O-N 2.89Å; T1053-Y1055 VanDerWaalsContact O-N 3.09Å
1056R84.5Confident84.4Confident13 Ų1346.4 Ų46.45%0.04922%0.218CC..SBendtrans-88.9135.5-177.2-58.5-178.8-176.7-169.1-7.1109.8D354 T1053 G1093 T1094 I1096D354-R1056 IonicContact OD2-CZ 2.81Å; D354-R1056 IonicContact OD2-NH1 3.87Å; D354-R1056 PolarHBondContact OD2-NH1 3.47Å; D354-R1056 IonicContact OD2-NH2 3.95Å; D354-R1056 PolarHBondContact OD2-NH2 2.81Å; T1053-R1056 WeakPolarHBondContact O-CB 3.3Å; T1053-R1056 PolarHBondContact O-N 3.02Å; R1056-G1093 WeakPolarHBondContact CD-O 3.29Å; R1056-G1093 PolarHBondContact NE-O 3.34Å; R1056-T1094 WeakPolarHBondContact CA-O 3.48Å; R1056-T1094 WeakPolarHBondContact CB-O 3.45Å; R1056-I1096 HydrophobicContact CB-CD1 3.91Å; R1056-I1096 HydrophobicContact CB-CG1 3.99Å
1057T87.4Confident84.3Confident84 Ų8446.4 Ų46.452%0.51522%0.219SC..EExtended strand (participates in β ladder)trans-75.4134.8177.8-51.70000110.4T1094 H1095 I1096T1057-T1094 PolarHBondContact N-O 3.16Å; T1057-T1094 VanDerWaalsContact N-O 3.11Å; T1057-H1095 WeakPolarHBondContact CB-ND1 3.34Å; T1057-H1095 CarbonylContact O-C 3.6Å; T1057-H1095 WeakPolarHBondContact O-CA 3.48Å; T1057-I1096 PolarHBondContact O-N 3.41Å
1058V91.5Very high84.1Confident15 Ų1543.5 Ų43.59%0.09121%0.209CC..EExtended strand (participates in β ladder)trans-94.8135.1178.1-174.90000110.4F634 F1046 I1096 L1098F634-V1058 HydrophobicContact CD1-CG1 4.16Å; F634-V1058 HydrophobicContact CD1-CG2 4.01Å; F634-V1058 HydrophobicContact CE1-CG1 4.47Å; F634-V1058 HydrophobicContact CE1-CG2 4.25Å; F1046-V1058 HydrophobicContact CB-CG1 4.49Å; F1046-V1058 VanDerWaalsContact O-CB 3.31Å; F1046-V1058 WeakPolarHBondContact O-CB 3.38Å; V1058-I1096 HydrophobicContact CG2-CB 4.48Å; V1058-L1098 HydrophobicContact CG1-CD1 3.42Å; V1058-L1098 VanDerWaalsContact CG1-CD1 3.42Å; V1058-L1098 HydrophobicContact CG1-CD2 4.22Å; V1058-L1098 HydrophobicContact CG1-CG 3.64Å
1059S91Very high83.9Confident46 Ų4644 Ų4432%0.32221%0.211SC..EExtended strand (participates in β ladder)trans-131145.4175.963.50000109.7I1096 L1097 L1098S1059-I1096 PolarHBondContact N-O 3.5Å; S1059-I1096 PolarHBondContact OG-O 2.91Å; S1059-L1097 CarbonylContact O-C 3.41Å; S1059-L1097 WeakPolarHBondContact O-CA 3.41Å; S1059-L1098 PolarHBondContact O-N 3.24Å
1060I92.1Very high84.2Confident23 Ų2343.8 Ų43.812%0.11821%0.21CC..EExtended strand (participates in β ladder)trans-107.1140.8-179.5-59.6165.4000108.6F1046 K1062 N1066 I1069 M1082 L1098 T1101F1046-I1060 HydrophobicContact CD2-CD1 4.41Å; I1060-K1062 PolarHBondContact O-N 3.44Å; I1060-N1066 WeakPolarHBondContact CD1-O 3.28Å; I1060-I1069 HydrophobicContact CD1-CD1 3.89Å; I1060-M1082 HydrophobicContact CD1-CE 3.61Å; I1060-M1082 HydrophobicContact CD1-SD 3.92Å; I1060-M1082 HydrophobicContact CG1-SD 4.39Å; I1060-L1098 HydrophobicContact CG1-CB 4.41Å; I1060-L1098 HydrophobicContact CG1-CD1 4.38Å; I1060-T1101 HydrophobicContact CG2-CG2 3.96Å
1061E88.3Confident84.6Confident59 Ų5944.3 Ų44.328%0.27621%0.212SC..  trans-57.8133.4-179.5-173.8176.9-12000112.2N1063 S1064 S1067 L1097 L1098 K1099E1061-N1063 PolarHBondContact O-N 3.06Å; E1061-S1064 WeakPolarHBondContact O-CB 3.39Å; E1061-S1064 PolarHBondContact O-N 3.43Å; E1061-S1067 WeakPolarHBondContact O-CB 3.45Å; E1061-L1097 HydrophobicContact CB-CD1 4.33Å; E1061-L1098 WeakPolarHBondContact CB-O 3.18Å; E1061-L1098 PolarHBondContact N-O 2.96Å; E1061-K1099 HydrophobicContact CB-CG 4.07Å; E1061-K1099 WeakPolarHBondContact OE1-CE 3.24Å; E1061-K1099 IonicContact OE1-NZ 2.71Å; E1061-K1099 PolarHBondContact OE1-NZ 3.1Å
1062K84.2Confident84.9Confident100 Ų10042 Ų4244%0.43521%0.205SC..THydrogen-bonded Turntrans-59-13.7-174.5-56.8-164.7173.8-163.70115.8H718 K719 I1060H718-K1062 PolarHBondContact O-NZ 2.99Å; K719-K1062 VanDerWaalsContact CE-O 3.31Å; K719-K1062 WeakPolarHBondContact CE-O 3.33Å; K719-K1062 PolarHBondContact NZ-O 2.97Å; I1060-K1062 PolarHBondContact O-N 3.44Å
1063N83.4Confident85.3Confident68 Ų6839.6 Ų39.636%0.36420%0.196SC..THydrogen-bonded Turntrans-100.9-5.8178.5-66.3-22.5000112.8I519 K531 K719 E1061I519-N1063 HydrophobicContact CD1-CB 3.95Å; K531-N1063 PolarHBondContact NZ-O 2.97Å; K719-N1063 PolarHBondContact NZ-OD1 2.8Å; E1061-N1063 PolarHBondContact O-N 3.06Å
1064S89.5Confident85.6Confident2 Ų240.5 Ų40.51%0.01420%0.201CC..SBendtrans-66.7146.4170.2178.20000110.4H528 D541 E1061 N1066 S1067 T1101H528-S1064 PolarHBondContact NE2-O 2.98Å; D541-S1064 WeakPolarHBondContact OD1-CA 3.45Å; D541-S1064 PolarHBondContact OD1-OG 3.26Å; D541-S1064 WeakPolarHBondContact OD2-CB 3.24Å; D541-S1064 PolarHBondContact OD2-OG 3.08Å; E1061-S1064 WeakPolarHBondContact O-CB 3.39Å; E1061-S1064 PolarHBondContact O-N 3.43Å; S1064-N1066 PolarHBondContact O-N 3.5Å; S1064-N1066 PolarHBondContact OG-N 3.2Å; S1064-S1067 WeakPolarHBondContact O-CB 3.19Å; S1064-S1067 PolarHBondContact O-N 2.93Å; S1064-S1067 PolarHBondContact O-OG 2.97Å; S1064-T1101 PolarHBondContact OG-OG1 3.1Å
1065I89.3Confident85.9Confident6 Ų636.6 Ų36.63%0.03118%0.183CC..THydrogen-bonded Turntrans-65.4-23.4168.966174000112.5H528 K531 L532 S540 D541H528-I1065 WeakPolarHBondContact NE2-CA 3.23Å; K531-I1065 HydrophobicContact CB-CG2 4.28Å; K531-I1065 HydrophobicContact CD-CG2 3.79Å; K531-I1065 HydrophobicContact CG-CG2 3.69Å; L532-I1065 HydrophobicContact CD2-CB 3.86Å; L532-I1065 HydrophobicContact CD2-CG2 4.1Å; L532-I1065 HydrophobicContact CG-CG2 4.45Å; S540-I1065 VanDerWaalsContact C-CD1 3.45Å; S540-I1065 WeakPolarHBondContact O-CD1 3.12Å; D541-I1065 PolarHBondContact OD1-N 2.74Å
1066N91.2Very high85.9Confident6 Ų630.7 Ų30.73%0.03216%0.161CC..THydrogen-bonded Turntrans-96.414.3-180-62-34.9000112.5P539 I1060 S1064 V1068 I1069 M1082 T1101 I1103P539-N1066 VanDerWaalsContact CB-OD1 3.3Å; P539-N1066 WeakPolarHBondContact CB-OD1 3.47Å; P539-N1066 PolarHBondContact O-ND2 3.49Å; P539-N1066 PolarHBondContact O-OD1 2.92Å; I1060-N1066 WeakPolarHBondContact CD1-O 3.28Å; S1064-N1066 PolarHBondContact O-N 3.5Å; S1064-N1066 PolarHBondContact OG-N 3.2Å; N1066-V1068 PolarHBondContact O-N 3.41Å; N1066-I1069 HydrophobicContact CB-CD1 4.01Å; N1066-I1069 HydrophobicContact CB-CG1 4.18Å; N1066-I1069 VanDerWaalsContact O-CD1 3.27Å; N1066-I1069 WeakPolarHBondContact O-CD1 3.32Å; N1066-I1069 WeakPolarHBondContact O-CG1 3.05Å; N1066-M1082 HydrophobicContact CB-CE 4.28Å; N1066-T1101 WeakPolarHBondContact CB-OG1 3.21Å; N1066-T1101 PolarHBondContact ND2-O 3.42Å; N1066-T1101 PolarHBondContact ND2-OG1 3.18Å; N1066-I1103 HydrophobicContact CB-CD1 4.42Å
1067S88.4Confident85.5Confident11 Ų1138.1 Ų38.18%0.07719%0.194CC..SBendtrans-61.4-25.8178.446.90000113.5Q715 E1061 S1064Q715-S1067 PolarHBondContact NE2-OG 3.35Å; E1061-S1067 WeakPolarHBondContact O-CB 3.45Å; S1064-S1067 WeakPolarHBondContact O-CB 3.19Å; S1064-S1067 PolarHBondContact O-N 2.93Å; S1064-S1067 PolarHBondContact O-OG 2.97Å
1068V86.6Confident85.3Confident10 Ų1035.7 Ų35.76%0.06118%0.176CC..SBendtrans-134.9125.7170.3-1770000107.8L714 Q715 H718 Q1043 N1066L714-V1068 HydrophobicContact CB-CB 4.3Å; L714-V1068 HydrophobicContact CB-CG1 3.62Å; L714-V1068 HydrophobicContact CB-CG2 4.39Å; L714-V1068 HydrophobicContact CD1-CG1 3.7Å; L714-V1068 HydrophobicContact CG-CG1 4.27Å; Q715-V1068 HydrophobicContact CG-CG2 4.22Å; H718-V1068 HydrophobicContact CB-CG2 4.23Å; Q1043-V1068 HydrophobicContact CG-CG1 4.31Å; N1066-V1068 PolarHBondContact O-N 3.41Å
1069I85.4Confident85Confident15 Ų1536.6 Ų36.68%0.07718%0.18CC..  trans-128.4136.9-175.7-59.8154.8000108.3Q1043 T1044 F1046 I1060 N1066 M1082 I1103Q1043-I1069 WeakPolarHBondContact CA-O 3.48Å; T1044-I1069 HydrophobicContact CG2-CB 4Å; T1044-I1069 HydrophobicContact CG2-CG2 3.74Å; T1044-I1069 PolarHBondContact N-O 3.44Å; F1046-I1069 HydrophobicContact CD2-CD1 4.12Å; F1046-I1069 HydrophobicContact CE2-CD1 3.34Å; F1046-I1069 HydrophobicContact CZ-CD1 4.07Å; I1060-I1069 HydrophobicContact CD1-CD1 3.89Å; N1066-I1069 HydrophobicContact CB-CD1 4.01Å; N1066-I1069 HydrophobicContact CB-CG1 4.18Å; N1066-I1069 VanDerWaalsContact O-CD1 3.27Å; N1066-I1069 WeakPolarHBondContact O-CD1 3.32Å; N1066-I1069 WeakPolarHBondContact O-CG1 3.05Å; I1069-M1082 HydrophobicContact CD1-CE 3.37Å; I1069-I1103 HydrophobicContact CD1-CD1 3.53Å; I1069-I1103 HydrophobicContact CD1-CG1 4.5Å; I1069-I1103 HydrophobicContact CG1-CD1 3.87Å; I1069-I1103 HydrophobicContact CG2-CD1 4.06Å
1070L87.6Confident85Confident14 Ų1436.7 Ų36.77%0.07317%0.173CC..BIsolated β-bridgetrans-105.7136170.8-58.3-177.3000109.5P653 V706 V710 L714 Y1042 Q1043 E1072P653-L1070 WeakPolarHBondContact O-CD1 3.48Å; V706-L1070 HydrophobicContact CG1-CD1 3.95Å; V706-L1070 HydrophobicContact CG2-CB 4.12Å; V706-L1070 HydrophobicContact CG2-CD1 4.12Å; V710-L1070 HydrophobicContact CG1-CD1 3.73Å; L714-L1070 HydrophobicContact CD1-CD1 4.09Å; L714-L1070 HydrophobicContact CD1-CD2 3.71Å; L714-L1070 HydrophobicContact CD1-CG 4.08Å; Y1042-L1070 CarbonylContact O-C 3.54Å; Y1042-L1070 WeakPolarHBondContact O-CA 3.49Å; Q1043-L1070 HydrophobicContact CB-CD2 4.07Å; L1070-E1072 PolarHBondContact O-N 3.38Å
1071N86.8Confident85Confident17 Ų1735.7 Ų35.79%0.09117%0.168CC..  trans-77.8105.8163.9-167.7-8.8000108.5Q636 I639 Y1042 N1073 P1074Q636-N1071 VanDerWaalsContact NE2-CB 3.28Å; Q636-N1071 PolarHBondContact NE2-ND2 2.97Å; I639-N1071 HydrophobicContact CD1-CB 3.68Å; Y1042-N1071 VanDerWaalsContact CD1-O 3.31Å; Y1042-N1071 WeakPolarHBondContact CD1-O 3.26Å; Y1042-N1071 PolarHBondContact O-N 2.66Å; N1071-N1073 PolarHBondContact O-N 3.03Å; N1071-N1073 PolarHBondContact OD1-N 3.46Å; N1071-N1073 VanDerWaalsContact OD1-N 3.09Å; N1071-P1074 WeakPolarHBondContact ND2-CA 3.22Å
1072E76Confident85.3Confident51 Ų5132.9 Ų32.924%0.23816%0.155CC..SBendtrans-70.2-22.3178.9-66.3-177.7-162.800113.1R654 G705 V706 L1070R654-E1072 HydrophobicContact CG-CG 4.41Å; R654-E1072 IonicContact CZ-OE2 3.47Å; R654-E1072 IonicContact NE-OE2 3.98Å; R654-E1072 PolarHBondContact NE-OE2 2.88Å; R654-E1072 IonicContact NH1-OE2 3.44Å; R654-E1072 IonicContact NH2-OE2 2.9Å; G705-E1072 WeakPolarHBondContact CA-OE1 3.06Å; V706-E1072 HydrophobicContact CG2-CG 3.57Å; V706-E1072 VanDerWaalsContact CG2-OE1 3.31Å; V706-E1072 WeakPolarHBondContact CG2-OE1 3.2Å; V706-E1072 PolarHBondContact N-OE1 3.43Å; L1070-E1072 PolarHBondContact O-N 3.38Å
1073N80.4Confident85.9Confident17 Ų1728.1 Ų28.19%0.09113%0.134CC..  trans-141.766.1-168.9-49.4-60.1000110.9R654 W900 N1071 H1075 F1076R654-N1073 PolarHBondContact NH2-OD1 2.74Å; W900-N1073 VanDerWaalsContact CH2-ND2 3.32Å; W900-N1073 WeakPolarHBondContact CH2-ND2 3.47Å; N1071-N1073 PolarHBondContact O-N 3.03Å; N1071-N1073 PolarHBondContact OD1-N 3.46Å; N1071-N1073 VanDerWaalsContact OD1-N 3.09Å; N1073-H1075 PolarHBondContact O-N 2.69Å; N1073-F1076 HydrophobicContact CB-CD2 3.4Å; N1073-F1076 HydrophobicContact CB-CE2 3.77Å; N1073-F1076 HydrophobicContact CB-CG 4.49Å; N1073-F1076 PolarHBondContact O-N 3.08Å; N1073-F1076 VanDerWaalsContact O-N 3.14Å
1074P82.6Confident86.4Confident18 Ų1824.9 Ų24.912%0.11712%0.117CC..THydrogen-bonded Turntrans-66-15.8-177.829.4-37.2000114.6I639 E641 Y1042 N1071 F1076I639-P1074 HydrophobicContact CB-CB 4.37Å; E641-P1074 HydrophobicContact CB-CB 4.27Å; E641-P1074 HydrophobicContact CB-CG 4.07Å; E641-P1074 HydrophobicContact CG-CG 3.8Å; Y1042-P1074 HydrophobicContact CD1-CG 4.04Å; Y1042-P1074 HydrophobicContact CE1-CG 3.66Å; N1071-P1074 WeakPolarHBondContact ND2-CA 3.22Å; P1074-F1076 PolarHBondContact O-N 2.88Å
1075H80.3Confident86.5Confident32 Ų3225.2 Ų25.215%0.14812%0.12CC..THydrogen-bonded Turntrans-65.9-26.1173.656.8-85000112.4E970 N1073 K1077E970-H1075 PolarHBondContact O-CD2 2.87Å; N1073-H1075 PolarHBondContact O-N 2.69Å; H1075-K1077 PolarHBondContact O-N 2.8Å
1076F78.6Confident86.6Confident37 Ų3728.5 Ų28.516%0.16214%0.137CC..  trans-76.4115171.7-66.7-54.4000110.3W900 A969 N1073 P1074 H1078W900-F1076 HydrophobicContact CB-CZ 4.17Å; W900-F1076 HydrophobicContact CD2-CE1 4.49Å; W900-F1076 AromaticContact CD2-CE2 3.55Å; W900-F1076 HydrophobicContact CD2-CE2 3.55Å; W900-F1076 AromaticContact CD2-CZ 3.42Å; W900-F1076 HydrophobicContact CD2-CZ 3.42Å; W900-F1076 VanDerWaalsContact CD2-CZ 3.42Å; W900-F1076 AromaticContact CE2-CE2 3.63Å; W900-F1076 AromaticContact CE2-CZ 3.91Å; W900-F1076 AromaticContact CE3-CE2 3.61Å; W900-F1076 HydrophobicContact CE3-CE2 3.61Å; W900-F1076 AromaticContact CE3-CZ 3.59Å; W900-F1076 HydrophobicContact CE3-CZ 3.59Å; W900-F1076 HydrophobicContact CG-CE1 4.39Å; W900-F1076 HydrophobicContact CG-CE2 4.25Å; W900-F1076 AromaticContact CG-CZ 3.69Å; W900-F1076 HydrophobicContact CG-CZ 3.69Å; W900-F1076 AromaticContact CH2-CE2 3.86Å; W900-F1076 HydrophobicContact CH2-CE2 3.86Å; W900-F1076 HydrophobicContact CZ2-CD2 4.46Å; W900-F1076 AromaticContact CZ2-CE2 3.79Å; W900-F1076 HydrophobicContact CZ2-CE2 3.79Å; W900-F1076 HydrophobicContact CZ2-CZ 4.5Å; W900-F1076 AromaticContact CZ3-CE2 3.76Å; W900-F1076 HydrophobicContact CZ3-CE2 3.76Å; W900-F1076 HydrophobicContact CZ3-CZ 4.21Å; A969-F1076 HydrophobicContact CB-CE1 3.87Å; A969-F1076 HydrophobicContact CB-CZ 4.05Å; N1073-F1076 HydrophobicContact CB-CD2 3.4Å; N1073-F1076 HydrophobicContact CB-CE2 3.77Å; N1073-F1076 HydrophobicContact CB-CG 4.49Å; N1073-F1076 PolarHBondContact O-N 3.08Å; N1073-F1076 VanDerWaalsContact O-N 3.14Å; P1074-F1076 PolarHBondContact O-N 2.88Å; F1076-H1078 VanDerWaalsContact CB-CE1 3.4Å; F1076-H1078 WeakPolarHBondContact CB-CE1 3.43Å; F1076-H1078 AromaticContact CG-CE1 3.74Å
1077K75.9Confident86.5Confident169 Ų16928.9 Ų28.974%0.73514%0.139SC*.  trans-90.13-177.1-58.9-172-178178.70114.1H1075H1075-K1077 PolarHBondContact O-N 2.8Å
1078H82.4Confident86.5Confident33 Ų3329.3 Ų29.315%0.15314%0.144CC..SBendtrans-70.9153175.660.2-108000110.7F1076 D1106 D1161F1076-H1078 VanDerWaalsContact CB-CE1 3.4Å; F1076-H1078 WeakPolarHBondContact CB-CE1 3.43Å; F1076-H1078 AromaticContact CG-CE1 3.74Å; H1078-D1106 IonicContact CD2-OD1 3.62Å; H1078-D1106 PolarHBondContact CD2-OD1 3.44Å; H1078-D1106 IonicContact CE1-OD1 2.69Å; H1078-D1106 IonicContact CE1-OD2 3.84Å; H1078-D1106 IonicContact NE2-OD1 2.8Å; H1078-D1106 PolarHBondContact NE2-OD1 2.7Å; H1078-D1106 IonicContact NE2-OD2 2.69Å; H1078-D1106 PolarHBondContact NE2-OD2 3.43Å; H1078-D1106 VanDerWaalsContact NE2-OD2 3.16Å; H1078-D1161 WeakPolarHBondContact CA-OD2 3.48Å; H1078-D1161 HydrophobicContact CB-CB 4.41Å; H1078-D1161 VanDerWaalsContact CB-OD2 3.24Å; H1078-D1161 WeakPolarHBondContact CB-OD2 3.21Å
1079Q85.6Confident86.5Confident35 Ų3529.2 Ų29.216%0.16414%0.143CC..  trans-79.3133.2-173.7-69.6176.9000110.9P1111 A1159 D1161Q1079-P1111 HydrophobicContact CB-CG 4.11Å; Q1079-P1111 WeakPolarHBondContact O-CG 3.29Å; Q1079-A1159 PolarHBondContact NE2-O 3.31Å; Q1079-D1161 PolarHBondContact N-OD2 3.32Å
1080R89.8Confident86.4Confident48 Ų4830.8 Ų30.818%0.18115%0.151CC..  trans-106.4135.7174.7-159.5-177.1-174.5-176.80.8111.5F635 Q636 I1103F635-R1080 WeakPolarHBondContact CA-O 3.28Å; Q636-R1080 HydrophobicContact CB-CB 3.96Å; Q636-R1080 PolarHBondContact N-O 2.91Å; R1080-I1103 HydrophobicContact CG-CG2 4.35Å; R1080-I1103 VanDerWaalsContact NE-CG2 3.3Å
1081M92.7Very high85.8Confident2 Ų234.2 Ų34.21%0.0117%0.173CC..EExtended strand (participates in β ladder)trans-112.5136.8-174.4-168.2166.777.700112.8A626 Y633 F635 V1083 L1104 P1111 V1114A626-M1081 HydrophobicContact CB-CE 4.48Å; Y633-M1081 HydrophobicContact CD1-CE 4.43Å; Y633-M1081 HydrophobicContact CD1-SD 4.28Å; Y633-M1081 HydrophobicContact CD2-CE 4.4Å; Y633-M1081 HydrophobicContact CD2-SD 3.82Å; Y633-M1081 HydrophobicContact CE2-CE 4.45Å; Y633-M1081 HydrophobicContact CE2-SD 4.41Å; Y633-M1081 HydrophobicContact CG-CE 4.39Å; Y633-M1081 HydrophobicContact CG-SD 3.75Å; F635-M1081 HydrophobicContact CE1-CG 4.37Å; F635-M1081 HydrophobicContact CE1-SD 4.25Å; F635-M1081 HydrophobicContact CZ-SD 4.19Å; M1081-V1083 HydrophobicContact CE-CG2 4.42Å; M1081-L1104 HydrophobicContact CB-CD1 4.43Å; M1081-L1104 HydrophobicContact CE-CD1 3.22Å; M1081-L1104 HydrophobicContact CE-CG 4.43Å; M1081-L1104 PolarHBondContact O-N 3.12Å; M1081-P1111 HydrophobicContact CB-CB 4.29Å; M1081-P1111 HydrophobicContact CB-CG 4.12Å; M1081-P1111 HydrophobicContact SD-CB 4.17Å; M1081-V1114 HydrophobicContact CE-CB 3.89Å; M1081-V1114 HydrophobicContact CE-CG1 3.62Å; M1081-V1114 HydrophobicContact CE-CG2 4.37Å
1082M95.3Very high85.3Confident0 Ų036.8 Ų36.80%019%0.193CC..EExtended strand (participates in β ladder)trans-113.3141.6167.4176.9-176.2-68.200109.9F634 F1046 I1060 N1066 I1069 L1098 T1101 I1103F634-M1082 HydrophobicContact CB-CB 4.44Å; F634-M1082 PolarHBondContact N-O 3.26Å; F634-M1082 PolarHBondContact O-N 3.2Å; F1046-M1082 HydrophobicContact CD1-CB 3.72Å; F1046-M1082 HydrophobicContact CD1-CE 4.31Å; F1046-M1082 HydrophobicContact CD1-SD 4.5Å; F1046-M1082 HydrophobicContact CD2-CE 3.84Å; F1046-M1082 HydrophobicContact CE1-CB 3.52Å; F1046-M1082 HydrophobicContact CE1-CE 4.05Å; F1046-M1082 HydrophobicContact CE2-CE 3.58Å; F1046-M1082 HydrophobicContact CG-CE 4.23Å; F1046-M1082 HydrophobicContact CG-SD 4.45Å; F1046-M1082 HydrophobicContact CZ-CB 4.24Å; F1046-M1082 HydrophobicContact CZ-CE 3.68Å; I1060-M1082 HydrophobicContact CD1-CE 3.61Å; I1060-M1082 HydrophobicContact CD1-SD 3.92Å; I1060-M1082 HydrophobicContact CG1-SD 4.39Å; N1066-M1082 HydrophobicContact CB-CE 4.28Å; I1069-M1082 HydrophobicContact CD1-CE 3.37Å; M1082-L1098 HydrophobicContact SD-CD1 3.97Å; M1082-T1101 HydrophobicContact SD-CG2 4.04Å; M1082-I1103 HydrophobicContact CE-CD1 3.93Å; M1082-I1103 HydrophobicContact CE-CG1 3.61Å; M1082-I1103 HydrophobicContact CG-CG1 4.45Å
1083V96Very high85.2Confident0 Ų034.9 Ų34.90%019%0.187CC..EExtended strand (participates in β ladder)trans-113.3133.4174.1-175.80000108.5I625 A626 F629 Y633 M1081 T1101 S1102 L1104I625-V1083 HydrophobicContact CG2-CG1 4.27Å; A626-V1083 HydrophobicContact CB-CG2 3.81Å; F629-V1083 HydrophobicContact CB-CG1 3.66Å; F629-V1083 HydrophobicContact CD2-CG1 4.21Å; F629-V1083 HydrophobicContact CG-CG1 4.33Å; Y633-V1083 HydrophobicContact CD1-CG1 4.47Å; Y633-V1083 HydrophobicContact CD1-CG2 4.04Å; Y633-V1083 HydrophobicContact CE1-CG1 4.42Å; Y633-V1083 HydrophobicContact CE1-CG2 4.15Å; M1081-V1083 HydrophobicContact CE-CG2 4.42Å; V1083-T1101 CarbonylContact O-C 3.52Å; V1083-T1101 WeakPolarHBondContact O-CA 3.28Å; V1083-S1102 PolarHBondContact N-O 3.16Å; V1083-S1102 PolarHBondContact O-N 2.89Å; V1083-L1104 HydrophobicContact CG2-CD1 4.26Å; V1083-L1104 HydrophobicContact CG2-CD2 4.47Å; V1083-L1104 HydrophobicContact CG2-CG 4.3Å
1084A95.3Very high85.3Confident0 Ų037.3 Ų37.30%020%0.202CC..EExtended strand (participates in β ladder)trans-109.8133175.300000110.9N632 F634 V1087 L1098N632-A1084 WeakPolarHBondContact CB-O 3.26Å; N632-A1084 PolarHBondContact O-N 3.44Å; F634-A1084 HydrophobicContact CD2-CB 4.27Å; F634-A1084 HydrophobicContact CE2-CB 3.89Å; A1084-V1087 HydrophobicContact CB-CG2 4.19Å; A1084-L1098 HydrophobicContact CB-CB 3.98Å; A1084-L1098 HydrophobicContact CB-CD1 4.3Å; A1084-L1098 HydrophobicContact CB-CD2 3.89Å; A1084-L1098 HydrophobicContact CB-CG 4.27Å
1085G91.6Very high85.5Confident8 Ų840.2 Ų40.28%0.08221%0.214CC..EExtended strand (participates in β ladder)trans-72.6-34175.900000113F629 K1099 D1100F629-G1085 VanDerWaalsContact CE1-CA 3.42Å; F629-G1085 VanDerWaalsContact CE1-O 3.29Å; F629-G1085 WeakPolarHBondContact CE1-O 3.43Å; G1085-K1099 PolarHBondContact N-O 3.19Å; G1085-D1100 PolarHBondContact N-O 2.93Å
1086I89.6Confident86Confident75 Ų7538.7 Ų38.739%0.38521%0.207SC..EExtended strand (participates in β ladder)trans-132.9131.9176.3-55.8171.9000108.9K1099I1086-K1099 HydrophobicContact CB-CB 4.18Å; I1086-K1099 PolarHBondContact N-O 3.28Å; I1086-K1099 PolarHBondContact O-N 3.34Å
1087V90.3Very high86.6Confident14 Ų1439.4 Ų39.49%0.08521%0.212CC..EExtended strand (participates in β ladder)trans-114.1118.4173.7-172.40000108.3Y359 N632 F634 A1084 I1096 L1098Y359-V1087 HydrophobicContact CD1-CG1 4.33Å; Y359-V1087 HydrophobicContact CD2-CG1 3.63Å; Y359-V1087 HydrophobicContact CE1-CB 4.46Å; Y359-V1087 HydrophobicContact CE1-CG1 4.18Å; Y359-V1087 HydrophobicContact CE2-CG1 3.46Å; Y359-V1087 VanDerWaalsContact CE2-CG1 3.46Å; Y359-V1087 HydrophobicContact CG-CG1 4.07Å; N632-V1087 HydrophobicContact CB-CG2 3.9Å; F634-V1087 HydrophobicContact CE2-CG2 4.06Å; F634-V1087 HydrophobicContact CZ-CG1 4.21Å; F634-V1087 HydrophobicContact CZ-CG2 4Å; A1084-V1087 HydrophobicContact CB-CG2 4.19Å; V1087-I1096 HydrophobicContact CG1-CG2 3.56Å; V1087-L1098 HydrophobicContact CG1-CD2 4.27Å; V1087-L1098 HydrophobicContact CG2-CD2 4.25Å
1088A88.8Confident87.5Confident20 Ų2031.4 Ų31.417%0.16518%0.177CC..EExtended strand (participates in β ladder)trans-121.2161.3176.700000110.2Q360 I1096 L1097Q360-A1088 WeakPolarHBondContact O-CA 3.41Å; A1088-I1096 CarbonylContact O-C 3.45Å; A1088-I1096 WeakPolarHBondContact O-CA 3.45Å; A1088-L1097 HydrophobicContact CB-CB 4.44Å; A1088-L1097 PolarHBondContact N-O 3.32Å; A1088-L1097 PolarHBondContact O-N 3.35Å
1089I86.6Confident87.9Confident8 Ų832.8 Ų32.84%0.04118%0.183CC..EExtended strand (participates in β ladder)trans-119.5147.2171.5-51.1159.8000109.8D354 Y359 Q360 S361 H1095D354-I1089 HydrophobicContact CB-CD1 3.74Å; Y359-I1089 VanDerWaalsContact CB-CD1 3.46Å; Y359-I1089 HydrophobicContact CD2-CD1 3.72Å; Y359-I1089 HydrophobicContact CD2-CG1 3.67Å; Y359-I1089 HydrophobicContact CG-CD1 4.05Å; Y359-I1089 HydrophobicContact CG-CG1 4.18Å; Q360-I1089 PolarHBondContact O-N 3.01Å; S361-I1089 VanDerWaalsContact CB-O 3.25Å; S361-I1089 WeakPolarHBondContact CB-O 3.46Å; S361-I1089 PolarHBondContact OG-O 3.49Å; I1089-H1095 WeakPolarHBondContact CA-O 3.48Å; I1089-H1095 WeakPolarHBondContact CG2-O 3.28Å
1090N82.8Confident88.2Confident48 Ų4832.7 Ų32.726%0.25718%0.184SC..  trans-63.9175168.977.4-21.2000112.4S361 S1092 G1093 T1094 H1095S361-N1090 PolarHBondContact OG-O 2.98Å; N1090-S1092 VanDerWaalsContact C-N 3.28Å; N1090-S1092 PolarHBondContact ND2-OG 3.27Å; N1090-S1092 PolarHBondContact O-N 3.48Å; N1090-S1092 PolarHBondContact OD1-OG 2.77Å; N1090-G1093 PolarHBondContact O-N 2.9Å; N1090-G1093 PolarHBondContact OD1-N 2.98Å; N1090-G1093 VanDerWaalsContact OD1-N 3.09Å; N1090-T1094 PolarHBondContact OD1-N 2.98Å; N1090-T1094 VanDerWaalsContact OD1-N 3.1Å; N1090-H1095 HydrophobicContact CB-CB 4.27Å; N1090-H1095 PolarHBondContact N-O 2.88Å; N1090-H1095 PolarHBondContact ND2-CD2 3.48Å; N1090-H1095 PolarHBondContact OD1-N 3.15Å; N1090-H1095 VanDerWaalsContact OD1-N 3.13Å
1091T74.3Confident88.5Confident86 Ų8630.4 Ų30.453%0.52818%0.175SC..THydrogen-bonded Turntrans-62.5-32.7-177.745.20000113.5R363R363-T1091 HydrophobicContact CG-CG2 4.32Å
1092S75.8Confident88.6Confident72 Ų7230.3 Ų30.350%0.50318%0.175SC..THydrogen-bonded Turntrans-82.5-8-178.561.40000114.6N1090 T1094N1090-S1092 VanDerWaalsContact C-N 3.28Å; N1090-S1092 PolarHBondContact ND2-OG 3.27Å; N1090-S1092 PolarHBondContact O-N 3.48Å; N1090-S1092 PolarHBondContact OD1-OG 2.77Å; S1092-T1094 PolarHBondContact O-N 3.02Å; S1092-T1094 PolarHBondContact OG-OG1 3.31Å
1093G75.3Confident88.5Confident11 Ų1130.4 Ų30.411%0.11318%0.175CC..SBendtrans80.4-5.5-176.300000114.7R1056 N1090R1056-G1093 WeakPolarHBondContact CD-O 3.29Å; R1056-G1093 PolarHBondContact NE-O 3.34Å; N1090-G1093 PolarHBondContact O-N 2.9Å; N1090-G1093 PolarHBondContact OD1-N 2.98Å; N1090-G1093 VanDerWaalsContact OD1-N 3.09Å
1094T82.9Confident88.3Confident67 Ų6730.5 Ų30.541%0.41118%0.176SC..  trans-92.9-23.6-168.259.40000114.2R1056 T1057 N1090 S1092R1056-T1094 WeakPolarHBondContact CA-O 3.48Å; R1056-T1094 WeakPolarHBondContact CB-O 3.45Å; T1057-T1094 PolarHBondContact N-O 3.16Å; T1057-T1094 VanDerWaalsContact N-O 3.11Å; N1090-T1094 PolarHBondContact OD1-N 2.98Å; N1090-T1094 VanDerWaalsContact OD1-N 3.1Å; S1092-T1094 PolarHBondContact O-N 3.02Å; S1092-T1094 PolarHBondContact OG-OG1 3.31Å
1095H86.8Confident88Confident79 Ų7931.7 Ų31.737%0.36618%0.183SC..EExtended strand (participates in β ladder)trans-119.3122.6-177.1-67-84000111.7T1057 I1089 N1090T1057-H1095 WeakPolarHBondContact CB-ND1 3.34Å; T1057-H1095 CarbonylContact O-C 3.6Å; T1057-H1095 WeakPolarHBondContact O-CA 3.48Å; I1089-H1095 WeakPolarHBondContact CA-O 3.48Å; I1089-H1095 WeakPolarHBondContact CG2-O 3.28Å; N1090-H1095 HydrophobicContact CB-CB 4.27Å; N1090-H1095 PolarHBondContact N-O 2.88Å; N1090-H1095 PolarHBondContact ND2-CD2 3.48Å; N1090-H1095 PolarHBondContact OD1-N 3.15Å; N1090-H1095 VanDerWaalsContact OD1-N 3.13Å
1096I90.4Very high87.8Confident0 Ų032.6 Ų32.60%019%0.186CC..EExtended strand (participates in β ladder)trans-83.3132.5171.2-61172.3000108.4Y359 F634 T1053 R1056 T1057 V1058 S1059 V1087 A1088 L1098Y359-I1096 HydrophobicContact CE2-CD1 4.41Å; F634-I1096 HydrophobicContact CE1-CG2 4.27Å; F634-I1096 HydrophobicContact CZ-CG2 4.38Å; T1053-I1096 HydrophobicContact CG2-CD1 4.12Å; R1056-I1096 HydrophobicContact CB-CD1 3.91Å; R1056-I1096 HydrophobicContact CB-CG1 3.99Å; T1057-I1096 PolarHBondContact O-N 3.41Å; V1058-I1096 HydrophobicContact CG2-CB 4.48Å; S1059-I1096 PolarHBondContact N-O 3.5Å; S1059-I1096 PolarHBondContact OG-O 2.91Å; V1087-I1096 HydrophobicContact CG1-CG2 3.56Å; A1088-I1096 CarbonylContact O-C 3.45Å; A1088-I1096 WeakPolarHBondContact O-CA 3.45Å; I1096-L1098 HydrophobicContact CG2-CD2 3.64Å
1097L91.4Very high87.7Confident53 Ų5329.2 Ų29.228%0.27717%0.169SC..EExtended strand (participates in β ladder)trans-112.4118.5175.3178.765.1000109.6S1059 E1061 A1088S1059-L1097 CarbonylContact O-C 3.41Å; S1059-L1097 WeakPolarHBondContact O-CA 3.41Å; E1061-L1097 HydrophobicContact CB-CD1 4.33Å; A1088-L1097 HydrophobicContact CB-CB 4.44Å; A1088-L1097 PolarHBondContact N-O 3.32Å; A1088-L1097 PolarHBondContact O-N 3.35Å
1098L93.1Very high87.6Confident0 Ų030.9 Ų30.90%018%0.18CC..EExtended strand (participates in β ladder)trans-96.3136.8178.5-51.3-173000111.3F634 V1058 S1059 I1060 E1061 M1082 A1084 V1087 I1096 T1101F634-L1098 HydrophobicContact CB-CD1 4.38Å; F634-L1098 HydrophobicContact CD1-CD1 4.13Å; F634-L1098 HydrophobicContact CD1-CD2 4.37Å; F634-L1098 HydrophobicContact CD2-CD1 3.66Å; F634-L1098 HydrophobicContact CD2-CD2 4.02Å; F634-L1098 HydrophobicContact CE1-CD1 4.39Å; F634-L1098 HydrophobicContact CE1-CD2 3.79Å; F634-L1098 HydrophobicContact CE2-CD1 3.97Å; F634-L1098 HydrophobicContact CE2-CD2 3.41Å; F634-L1098 VanDerWaalsContact CE2-CD2 3.41Å; F634-L1098 HydrophobicContact CE2-CG 4.34Å; F634-L1098 HydrophobicContact CG-CD1 3.77Å; F634-L1098 HydrophobicContact CG-CD2 4.47Å; F634-L1098 HydrophobicContact CZ-CD1 4.33Å; F634-L1098 HydrophobicContact CZ-CD2 3.28Å; F634-L1098 HydrophobicContact CZ-CG 4.43Å; V1058-L1098 HydrophobicContact CG1-CD1 3.42Å; V1058-L1098 VanDerWaalsContact CG1-CD1 3.42Å; V1058-L1098 HydrophobicContact CG1-CD2 4.22Å; V1058-L1098 HydrophobicContact CG1-CG 3.64Å; S1059-L1098 PolarHBondContact O-N 3.24Å; I1060-L1098 HydrophobicContact CG1-CB 4.41Å; I1060-L1098 HydrophobicContact CG1-CD1 4.38Å; E1061-L1098 WeakPolarHBondContact CB-O 3.18Å; E1061-L1098 PolarHBondContact N-O 2.96Å; M1082-L1098 HydrophobicContact SD-CD1 3.97Å; A1084-L1098 HydrophobicContact CB-CB 3.98Å; A1084-L1098 HydrophobicContact CB-CD1 4.3Å; A1084-L1098 HydrophobicContact CB-CD2 3.89Å; A1084-L1098 HydrophobicContact CB-CG 4.27Å; V1087-L1098 HydrophobicContact CG1-CD2 4.27Å; V1087-L1098 HydrophobicContact CG2-CD2 4.25Å; I1096-L1098 HydrophobicContact CG2-CD2 3.64Å; L1098-T1101 HydrophobicContact CB-CG2 3.83Å
1099K91.8Very high87.7Confident62 Ų6230 Ų3027%0.2717%0.172SC..EExtended strand (participates in β ladder)trans-129.1162.1171.9-49.3-177.9176.8-175.50110.8E1061 G1085 I1086 T1101E1061-K1099 HydrophobicContact CB-CG 4.07Å; E1061-K1099 WeakPolarHBondContact OE1-CE 3.24Å; E1061-K1099 IonicContact OE1-NZ 2.71Å; E1061-K1099 PolarHBondContact OE1-NZ 3.1Å; G1085-K1099 PolarHBondContact N-O 3.19Å; I1086-K1099 HydrophobicContact CB-CB 4.18Å; I1086-K1099 PolarHBondContact N-O 3.28Å; I1086-K1099 PolarHBondContact O-N 3.34Å; K1099-T1101 VanDerWaalsContact C-N 3.34Å; K1099-T1101 PolarHBondContact O-N 3.3Å
1100D92Very high88Confident34 Ų3429.7 Ų29.718%0.18217%0.171CC..EExtended strand (participates in β ladder)trans51.254.2179.6-54.6-41.5000111.9H511 G1085H511-D1100 IonicContact CE1-OD1 3.89Å; H511-D1100 PolarHBondContact CE1-OD1 2.95Å; H511-D1100 IonicContact ND1-OD1 3.05Å; H511-D1100 IonicContact ND1-OD2 2.65Å; G1085-D1100 PolarHBondContact N-O 2.93Å
1101T95.3Very high88.6Confident0 Ų027.4 Ų27.40%016%0.159CC..EExtended strand (participates in β ladder)trans-86144.8-168.263.90000112D541 I1060 S1064 N1066 M1082 V1083 L1098 K1099D541-T1101 PolarHBondContact N-O 3.01Å; D541-T1101 PolarHBondContact OD2-N 3.3Å; D541-T1101 VanDerWaalsContact OD2-N 3.08Å; D541-T1101 PolarHBondContact OD2-OG1 3.43Å; D541-T1101 VanDerWaalsContact OD2-OG1 3.11Å; I1060-T1101 HydrophobicContact CG2-CG2 3.96Å; S1064-T1101 PolarHBondContact OG-OG1 3.1Å; N1066-T1101 WeakPolarHBondContact CB-OG1 3.21Å; N1066-T1101 PolarHBondContact ND2-O 3.42Å; N1066-T1101 PolarHBondContact ND2-OG1 3.18Å; M1082-T1101 HydrophobicContact SD-CG2 4.04Å; V1083-T1101 CarbonylContact O-C 3.52Å; V1083-T1101 WeakPolarHBondContact O-CA 3.28Å; L1098-T1101 HydrophobicContact CB-CG2 3.83Å; K1099-T1101 VanDerWaalsContact C-N 3.34Å; K1099-T1101 PolarHBondContact O-N 3.3Å
1102S95.4Very high89.5Confident0 Ų023.4 Ų23.40%013%0.134CC..EExtended strand (participates in β ladder)trans-136.2122.2173.3-61.30000110.2S540 V1083S540-S1102 WeakPolarHBondContact CB-OG 3.21Å; S540-S1102 PolarHBondContact OG-OG 2.89Å; V1083-S1102 PolarHBondContact N-O 3.16Å; V1083-S1102 PolarHBondContact O-N 2.89Å
1103I93.1Very high90.4Very high2 Ų220 Ų201%0.0111%0.11CC..EExtended strand (participates in β ladder)trans-87.2131.4172.7-54.3177.2000108.1P539 Q622 F1046 N1066 I1069 R1080 M1082P539-I1103 HydrophobicContact CB-CB 4.08Å; P539-I1103 HydrophobicContact CB-CD1 3.98Å; P539-I1103 HydrophobicContact CB-CG1 4.25Å; P539-I1103 HydrophobicContact CG-CB 3.86Å; P539-I1103 HydrophobicContact CG-CD1 4.47Å; P539-I1103 HydrophobicContact CG-CG2 4.48Å; P539-I1103 PolarHBondContact O-N 3.03Å; Q622-I1103 PolarHBondContact NE2-O 2.82Å; Q622-I1103 VanDerWaalsContact NE2-O 3.07Å; F1046-I1103 HydrophobicContact CZ-CD1 4.49Å; N1066-I1103 HydrophobicContact CB-CD1 4.42Å; I1069-I1103 HydrophobicContact CD1-CD1 3.53Å; I1069-I1103 HydrophobicContact CD1-CG1 4.5Å; I1069-I1103 HydrophobicContact CG1-CD1 3.87Å; I1069-I1103 HydrophobicContact CG2-CD1 4.06Å; R1080-I1103 HydrophobicContact CG-CG2 4.35Å; R1080-I1103 VanDerWaalsContact NE-CG2 3.3Å; M1082-I1103 HydrophobicContact CE-CD1 3.93Å; M1082-I1103 HydrophobicContact CE-CG1 3.61Å; M1082-I1103 HydrophobicContact CG-CG1 4.45Å
1104L92.6Very high91.4Very high2 Ų219.5 Ų19.51%0.0111%0.105CC..PPolyproline II helixtrans-79.6158.2177.3-60.8-172.2000111.5Q622 A626 M1081 V1083 L1110 V1114Q622-L1104 HydrophobicContact CB-CD2 3.81Å; Q622-L1104 WeakPolarHBondContact O-CD2 3.34Å; A626-L1104 HydrophobicContact CB-CD1 3.97Å; A626-L1104 HydrophobicContact CB-CD2 4.42Å; M1081-L1104 HydrophobicContact CB-CD1 4.43Å; M1081-L1104 HydrophobicContact CE-CD1 3.22Å; M1081-L1104 HydrophobicContact CE-CG 4.43Å; M1081-L1104 PolarHBondContact O-N 3.12Å; V1083-L1104 HydrophobicContact CG2-CD1 4.26Å; V1083-L1104 HydrophobicContact CG2-CD2 4.47Å; V1083-L1104 HydrophobicContact CG2-CG 4.3Å; L1104-L1110 HydrophobicContact CB-CD2 3.79Å; L1104-L1110 HydrophobicContact CD1-CD2 3.59Å; L1104-L1110 HydrophobicContact CG-CD2 4.36Å; L1104-V1114 HydrophobicContact CD1-CG2 4.45Å
1105P89.1Confident91.9Very high24 Ų2416.4 Ų16.416%0.1569%0.086CC..PPolyproline II helixtrans-60.9153.7177.8-24.737.8000112.4F619 Q622 I906 I1107F619-P1105 HydrophobicContact CD2-CG 4Å; F619-P1105 HydrophobicContact CE2-CG 4.31Å; Q622-P1105 VanDerWaalsContact OE1-CG 3.32Å; I906-P1105 HydrophobicContact CG2-CB 3.91Å; P1105-I1107 VanDerWaalsContact C-N 3.35Å; P1105-I1107 HydrophobicContact CB-CD1 4.15Å; P1105-I1107 HydrophobicContact CB-CG1 4.25Å; P1105-I1107 PolarHBondContact O-N 3Å
1106D86Confident92.3Very high27 Ų2712.7 Ų12.714%0.1447%0.069CC..  trans-84.977.1-174.4-156.837.1000110.3H1078H1078-D1106 IonicContact CD2-OD1 3.62Å; H1078-D1106 PolarHBondContact CD2-OD1 3.44Å; H1078-D1106 IonicContact CE1-OD1 2.69Å; H1078-D1106 IonicContact CE1-OD2 3.84Å; H1078-D1106 IonicContact NE2-OD1 2.8Å; H1078-D1106 PolarHBondContact NE2-OD1 2.7Å; H1078-D1106 IonicContact NE2-OD2 2.69Å; H1078-D1106 PolarHBondContact NE2-OD2 3.43Å; H1078-D1106 VanDerWaalsContact NE2-OD2 3.16Å
1107I88.3Confident92.5Very high4 Ų412.7 Ų12.72%0.0217%0.069CC..  trans-120.3125.1-176.1-63.8172.9000108.7F619 P903 I906 I907 P1105 G1109 L1110F619-I1107 HydrophobicContact CE2-CD1 3.95Å; F619-I1107 HydrophobicContact CZ-CD1 4.43Å; P903-I1107 HydrophobicContact CB-CG2 3.97Å; P903-I1107 HydrophobicContact CG-CG2 4.05Å; I906-I1107 HydrophobicContact CB-CD1 4.46Å; I906-I1107 HydrophobicContact CB-CG1 4.43Å; I906-I1107 HydrophobicContact CD1-CG1 4.15Å; I906-I1107 HydrophobicContact CG2-CD1 4.05Å; I906-I1107 HydrophobicContact CG2-CG1 4.06Å; I907-I1107 HydrophobicContact CD1-CD1 4.13Å; I907-I1107 HydrophobicContact CG1-CD1 3.91Å; P1105-I1107 VanDerWaalsContact C-N 3.35Å; P1105-I1107 HydrophobicContact CB-CD1 4.15Å; P1105-I1107 HydrophobicContact CB-CG1 4.25Å; P1105-I1107 PolarHBondContact O-N 3Å; I1107-G1109 PolarHBondContact O-N 2.71Å; I1107-L1110 HydrophobicContact CB-CB 3.96Å; I1107-L1110 HydrophobicContact CB-CD1 3.91Å; I1107-L1110 HydrophobicContact CD1-CD1 4.03Å; I1107-L1110 HydrophobicContact CG1-CD1 4.32Å; I1107-L1110 HydrophobicContact CG2-CB 4.31Å; I1107-L1110 WeakPolarHBondContact O-CB 3.3Å; I1107-L1110 PolarHBondContact O-N 3.36Å; I1107-L1110 VanDerWaalsContact O-N 3.09Å
1108P87.5Confident92.6Very high50 Ų5010.2 Ų10.233%0.3256%0.056SC..THydrogen-bonded Turntrans-55.6133.2177.2-26.434.6000112.6L1110 V1162P1108-L1110 PolarHBondContact O-N 3.42Å; P1108-V1162 HydrophobicContact CB-CG1 3.65Å
1109G91.1Very high92.6Very high0 Ų010.2 Ų10.20%06%0.056CC..THydrogen-bonded Turntrans76.4-3.7-178.100000115.7I1107 G1112 L1113 D1161I1107-G1109 PolarHBondContact O-N 2.71Å; G1109-G1112 PolarHBondContact O-N 3.34Å; G1109-L1113 PolarHBondContact O-N 3.34Å; G1109-D1161 WeakPolarHBondContact CA-OD1 3.35Å; G1109-D1161 PolarHBondContact N-OD1 2.86Å
1110L93.6Very high92.5Very high2 Ų28.2 Ų8.21%0.015%0.049CC..Hα-helixtrans-58-44.7-178179.5149.7000113.4F619 L1104 I1107 P1108 G1112 L1113 V1114 F1213F619-L1110 HydrophobicContact CE2-CD1 4.05Å; L1104-L1110 HydrophobicContact CB-CD2 3.79Å; L1104-L1110 HydrophobicContact CD1-CD2 3.59Å; L1104-L1110 HydrophobicContact CG-CD2 4.36Å; I1107-L1110 HydrophobicContact CB-CB 3.96Å; I1107-L1110 HydrophobicContact CB-CD1 3.91Å; I1107-L1110 HydrophobicContact CD1-CD1 4.03Å; I1107-L1110 HydrophobicContact CG1-CD1 4.32Å; I1107-L1110 HydrophobicContact CG2-CB 4.31Å; I1107-L1110 WeakPolarHBondContact O-CB 3.3Å; I1107-L1110 PolarHBondContact O-N 3.36Å; I1107-L1110 VanDerWaalsContact O-N 3.09Å; P1108-L1110 PolarHBondContact O-N 3.42Å; L1110-G1112 VanDerWaalsContact C-N 3.3Å; L1110-G1112 PolarHBondContact O-N 3.01Å; L1110-L1113 PolarHBondContact O-N 3.45Å; L1110-V1114 HydrophobicContact CD2-CG2 4.07Å; L1110-V1114 HydrophobicContact CG-CG2 4.24Å; L1110-V1114 WeakPolarHBondContact O-CG2 3.38Å; L1110-V1114 PolarHBondContact O-N 3.3Å; L1110-F1213 HydrophobicContact CB-CE1 4.36Å; L1110-F1213 HydrophobicContact CD1-CE1 4.24Å; L1110-F1213 HydrophobicContact CG-CE1 3.96Å
1111P93.9Very high92.4Very high1 Ų17.8 Ų7.81%0.0065%0.051CC..Hα-helixtrans-60.1-41.1178.5-21.532.2000112.4F635 Q1079 M1081 M1115 L1158F635-P1111 HydrophobicContact CE1-CB 3.91Å; Q1079-P1111 HydrophobicContact CB-CG 4.11Å; Q1079-P1111 WeakPolarHBondContact O-CG 3.29Å; M1081-P1111 HydrophobicContact CB-CB 4.29Å; M1081-P1111 HydrophobicContact CB-CG 4.12Å; M1081-P1111 HydrophobicContact SD-CB 4.17Å; P1111-M1115 WeakPolarHBondContact O-CB 3.42Å; P1111-M1115 WeakPolarHBondContact O-CG 3.33Å; P1111-M1115 PolarHBondContact O-N 2.61Å; P1111-L1158 HydrophobicContact CB-CD2 4.09Å
1112G93.8Very high92.2Very high1 Ų19.1 Ų9.11%0.016%0.057CC..Hα-helixtrans-63.1-47.2176.400000112.8G1109 L1110 V1114 M1115 M1116 L1158G1109-G1112 PolarHBondContact O-N 3.34Å; L1110-G1112 VanDerWaalsContact C-N 3.3Å; L1110-G1112 PolarHBondContact O-N 3.01Å; G1112-V1114 PolarHBondContact O-N 3.39Å; G1112-M1115 PolarHBondContact O-N 2.96Å; G1112-M1116 WeakPolarHBondContact O-CB 3.46Å; G1112-M1116 WeakPolarHBondContact O-CE 3.32Å; G1112-M1116 VanDerWaalsContact O-CG 3.28Å; G1112-M1116 WeakPolarHBondContact O-CG 3.5Å; G1112-M1116 PolarHBondContact O-N 3.5Å; G1112-L1158 VanDerWaalsContact CA-CD2 3.5Å
1113L95.3Very high92Very high1 Ų19.5 Ų9.51%0.0056%0.059CC..Hα-helixtrans-60.3-46177.5-72.8174.4000112.4G1109 L1110 M1116 L1117 F1164 I1172 L1212 F1213G1109-L1113 PolarHBondContact O-N 3.34Å; L1110-L1113 PolarHBondContact O-N 3.45Å; L1113-M1116 HydrophobicContact CD2-CE 4.32Å; L1113-L1117 VanDerWaalsContact O-CB 3.24Å; L1113-L1117 WeakPolarHBondContact O-CB 3.48Å; L1113-L1117 PolarHBondContact O-N 3.42Å; L1113-F1164 HydrophobicContact CD1-CE1 4.45Å; L1113-F1164 HydrophobicContact CD2-CD1 4.31Å; L1113-F1164 HydrophobicContact CD2-CE1 3.53Å; L1113-F1164 HydrophobicContact CD2-CZ 4.19Å; L1113-F1164 HydrophobicContact CG-CE1 3.72Å; L1113-F1164 HydrophobicContact CG-CZ 3.96Å; L1113-I1172 HydrophobicContact CD2-CD1 4.28Å; L1113-L1212 HydrophobicContact CD2-CD1 3.86Å; L1113-L1212 HydrophobicContact CD2-CD2 4.29Å; L1113-L1212 HydrophobicContact CD2-CG 4Å; L1113-F1213 HydrophobicContact CB-CE1 3.74Å; L1113-F1213 HydrophobicContact CB-CZ 3.86Å; L1113-F1213 HydrophobicContact CD1-CD1 3.59Å; L1113-F1213 HydrophobicContact CD1-CE1 3.58Å; L1113-F1213 HydrophobicContact CD1-CG 4.28Å; L1113-F1213 HydrophobicContact CD1-CZ 4.27Å; L1113-F1213 HydrophobicContact CG-CE1 4.33Å
1114V95.5Very high92Very high0 Ų09.7 Ų9.70%06%0.06CC..Hα-helixtrans-65.2-44.2-179.9174.30000110.9I623 A626 M1081 L1104 L1110 G1112 L1117 F1118 F1213I623-V1114 HydrophobicContact CD1-CG2 3.8Å; A626-V1114 HydrophobicContact CB-CG1 3.64Å; M1081-V1114 HydrophobicContact CE-CB 3.89Å; M1081-V1114 HydrophobicContact CE-CG1 3.62Å; M1081-V1114 HydrophobicContact CE-CG2 4.37Å; L1104-V1114 HydrophobicContact CD1-CG2 4.45Å; L1110-V1114 HydrophobicContact CD2-CG2 4.07Å; L1110-V1114 HydrophobicContact CG-CG2 4.24Å; L1110-V1114 WeakPolarHBondContact O-CG2 3.38Å; L1110-V1114 PolarHBondContact O-N 3.3Å; G1112-V1114 PolarHBondContact O-N 3.39Å; V1114-L1117 PolarHBondContact O-N 2.88Å; V1114-F1118 HydrophobicContact CG1-CD2 3.94Å; V1114-F1118 HydrophobicContact CG1-CE2 4.23Å; V1114-F1118 WeakPolarHBondContact O-CD2 3.47Å; V1114-F1118 PolarHBondContact O-N 2.93Å; V1114-F1213 HydrophobicContact CG2-CE1 4.46Å; V1114-F1213 HydrophobicContact CG2-CZ 4.04Å
1115M93.6Very high91.8Very high2 Ų29.9 Ų9.91%0.016%0.06CC..Hα-helixtrans-60.9-50.4176.5-78.9-176.755.400111.9Y633 F635 P1111 G1112 L1117 F1118 T1119 C1138 I1156 L1158Y633-M1115 HydrophobicContact CD2-CG 3.84Å; Y633-M1115 HydrophobicContact CE2-CG 3.82Å; F635-M1115 HydrophobicContact CZ-SD 4.15Å; P1111-M1115 WeakPolarHBondContact O-CB 3.42Å; P1111-M1115 WeakPolarHBondContact O-CG 3.33Å; P1111-M1115 PolarHBondContact O-N 2.61Å; G1112-M1115 PolarHBondContact O-N 2.96Å; M1115-L1117 VanDerWaalsContact C-N 3.28Å; M1115-L1117 PolarHBondContact O-N 2.86Å; M1115-F1118 PolarHBondContact O-N 2.99Å; M1115-T1119 WeakPolarHBondContact O-CB 3.48Å; M1115-T1119 WeakPolarHBondContact O-CG2 3.37Å; M1115-T1119 PolarHBondContact O-N 3.35Å; M1115-C1138 HydrophobicContact CE-CB 3.78Å; M1115-I1156 HydrophobicContact CE-CB 3.74Å; M1115-I1156 HydrophobicContact CE-CG2 3.45Å; M1115-I1156 VanDerWaalsContact CE-CG2 3.45Å; M1115-I1156 HydrophobicContact SD-CG2 4.04Å; M1115-L1158 HydrophobicContact CE-CB 3.78Å; M1115-L1158 HydrophobicContact SD-CB 3.77Å; M1115-L1158 HydrophobicContact SD-CD1 4.15Å; M1115-L1158 HydrophobicContact SD-CD2 3.7Å; M1115-L1158 HydrophobicContact SD-CG 4.08Å
1116M94.8Very high91.8Very high1 Ų110.2 Ų10.21%0.0056%0.062CC..Hα-helixtrans-63.3-34.6179.4-68.1-171.8-75.500112.3G1112 L1113 M1122 L1124 F1160 F1164 I1169 I1172 R1176 H1260G1112-M1116 WeakPolarHBondContact O-CB 3.46Å; G1112-M1116 WeakPolarHBondContact O-CE 3.32Å; G1112-M1116 VanDerWaalsContact O-CG 3.28Å; G1112-M1116 WeakPolarHBondContact O-CG 3.5Å; G1112-M1116 PolarHBondContact O-N 3.5Å; L1113-M1116 HydrophobicContact CD2-CE 4.32Å; M1116-M1122 HydrophobicContact CB-SD 3.81Å; M1116-M1122 HydrophobicContact CG-CE 4.37Å; M1116-M1122 HydrophobicContact CG-SD 3.57Å; M1116-M1122 VanDerWaalsContact CG-SD 3.57Å; M1116-M1122 HydrophobicContact SD-CE 4.2Å; M1116-M1122 HydrophobicContact SD-SD 4.13Å; M1116-L1124 HydrophobicContact SD-CD2 4.07Å; M1116-F1160 HydrophobicContact CE-CE1 4.37Å; M1116-F1160 HydrophobicContact CE-CZ 3.96Å; M1116-F1160 HydrophobicContact CG-CZ 4.33Å; M1116-F1160 HydrophobicContact SD-CE2 4.41Å; M1116-F1160 HydrophobicContact SD-CZ 3.74Å; M1116-F1164 HydrophobicContact CE-CD1 4.19Å; M1116-F1164 HydrophobicContact CE-CD2 4.24Å; M1116-F1164 HydrophobicContact CE-CE1 4.16Å; M1116-F1164 HydrophobicContact CE-CE2 4.18Å; M1116-F1164 HydrophobicContact CE-CG 4.22Å; M1116-F1164 HydrophobicContact CE-CZ 4.13Å; M1116-I1169 HydrophobicContact SD-CD1 3.8Å; M1116-I1172 HydrophobicContact CB-CD1 3.88Å; M1116-I1172 HydrophobicContact CE-CD1 3.85Å; M1116-I1172 HydrophobicContact SD-CD1 4.13Å; M1116-R1176 PolarHBondContact O-NH1 3.24Å; M1116-H1260 PolarHBondContact O-NE2 2.82Å
1117L95Very high91.9Very high0 Ų010.1 Ų10.10%06%0.062CC..Hα-helixtrans-66.8-42.9179.7-178.758.4000112.5L1113 V1114 M1115 I1172 L1175 R1176 I1179L1113-L1117 VanDerWaalsContact O-CB 3.24Å; L1113-L1117 WeakPolarHBondContact O-CB 3.48Å; L1113-L1117 PolarHBondContact O-N 3.42Å; V1114-L1117 PolarHBondContact O-N 2.88Å; M1115-L1117 VanDerWaalsContact C-N 3.28Å; M1115-L1117 PolarHBondContact O-N 2.86Å; L1117-I1172 HydrophobicContact CD1-CG2 4.49Å; L1117-L1175 HydrophobicContact CD1-CB 4.29Å; L1117-L1175 HydrophobicContact CD1-CD2 3.68Å; L1117-L1175 HydrophobicContact CD1-CG 3.98Å; L1117-L1175 HydrophobicContact CD2-CD2 3.82Å; L1117-L1175 HydrophobicContact CG-CD2 4.43Å; L1117-R1176 HydrophobicContact CD1-CG 4.14Å; L1117-R1176 PolarHBondContact O-NH1 2.84Å; L1117-I1179 HydrophobicContact CD1-CD1 4.46Å
1118F94.3Very high91.7Very high1 Ų119.7 Ų19.70%0.00411%0.106CC..Hα-helixtrans-105.9-11.5-170.2-63.7-64000115.5L494 I623 G627 Y630 V1114 M1115 F1257L494-F1118 HydrophobicContact CD1-CE1 4.39Å; I623-F1118 HydrophobicContact CG2-CE2 3.73Å; I623-F1118 HydrophobicContact CG2-CZ 3.92Å; G627-F1118 VanDerWaalsContact CA-CE2 3.46Å; Y630-F1118 HydrophobicContact CD2-CB 4.5Å; V1114-F1118 HydrophobicContact CG1-CD2 3.94Å; V1114-F1118 HydrophobicContact CG1-CE2 4.23Å; V1114-F1118 WeakPolarHBondContact O-CD2 3.47Å; V1114-F1118 PolarHBondContact O-N 2.93Å; M1115-F1118 PolarHBondContact O-N 2.99Å; F1118-F1257 HydrophobicContact CD1-CE1 4.45Å; F1118-F1257 AromaticContact CD1-CZ 3.86Å; F1118-F1257 HydrophobicContact CD1-CZ 3.86Å; F1118-F1257 WeakPolarHBondContact O-CE1 3.4Å
1119T93.1Very high91.6Very high0 Ų024 Ų240%012%0.122CC..  trans-66.6139.6176.2-170.30000111.6Y630 M1115 A1121 M1122 C1138 G1139 R1176Y630-T1119 PolarHBondContact OH-OG1 3.39Å; M1115-T1119 WeakPolarHBondContact O-CB 3.48Å; M1115-T1119 WeakPolarHBondContact O-CG2 3.37Å; M1115-T1119 PolarHBondContact O-N 3.35Å; T1119-A1121 PolarHBondContact OG1-O 2.8Å; T1119-M1122 HydrophobicContact CG2-CB 3.88Å; T1119-C1138 HydrophobicContact CG2-CB 4.11Å; T1119-C1138 WeakPolarHBondContact OG1-CB 3.23Å; T1119-G1139 PolarHBondContact OG1-N 3.46Å; T1119-G1139 VanDerWaalsContact OG1-N 3.11Å; T1119-R1176 PolarHBondContact O-NH1 2.81Å; T1119-R1176 PolarHBondContact O-NH2 3.38Å
1120P90.1Very high91.4Very high21 Ų2127.6 Ų27.614%0.13614%0.136CC..SBendtrans-61.6-48.7177.2-22.432.6000112.4E453 L1140 R1176E453-P1120 HydrophobicContact CB-CG 4.39Å; E453-P1120 HydrophobicContact CG-CG 3.87Å; E453-P1120 WeakPolarHBondContact O-CG 3.35Å; P1120-L1140 HydrophobicContact CB-CD2 4.07Å; P1120-L1140 HydrophobicContact CG-CD2 4.1Å; P1120-R1176 PolarHBondContact O-NH2 3.13Å; P1120-R1176 VanDerWaalsContact O-NH2 3.17Å
1121A89Confident91.1Very high25 Ų2530 Ų3021%0.20715%0.153CC..EExtended strand (participates in β ladder)trans-136.2147.8178.300000110.2T1119 G1139T1119-A1121 PolarHBondContact OG1-O 2.8Å; A1121-G1139 PolarHBondContact N-O 3.37Å; A1121-G1139 PolarHBondContact O-N 2.88Å; A1121-G1139 VanDerWaalsContact O-O 3.05Å
1122M92Very high90.9Very high28 Ų2832.5 Ų32.514%0.13816%0.162CC..EExtended strand (participates in β ladder)trans-139.1153.6174.274.1-174.5-168.600112.1M1116 T1119 L1124 L1137 I1169 H1260M1116-M1122 HydrophobicContact CB-SD 3.81Å; M1116-M1122 HydrophobicContact CG-CE 4.37Å; M1116-M1122 HydrophobicContact CG-SD 3.57Å; M1116-M1122 VanDerWaalsContact CG-SD 3.57Å; M1116-M1122 HydrophobicContact SD-CE 4.2Å; M1116-M1122 HydrophobicContact SD-SD 4.13Å; T1119-M1122 HydrophobicContact CG2-CB 3.88Å; M1122-L1124 HydrophobicContact CE-CD1 3.87Å; M1122-L1124 HydrophobicContact CE-CD2 4.01Å; M1122-L1124 HydrophobicContact CE-CG 3.9Å; M1122-L1137 CarbonylContact C-O 3.56Å; M1122-L1137 WeakPolarHBondContact CA-O 3.48Å; M1122-I1169 HydrophobicContact CE-CD1 3.86Å; M1122-I1169 HydrophobicContact CE-CG2 4.33Å; M1122-H1260 HydrophobicContact CE-CB 3.43Å; M1122-H1260 VanDerWaalsContact CE-CB 3.43Å; M1122-H1260 VanDerWaalsContact CE-CD2 3.49Å; M1122-H1260 WeakPolarHBondContact CE-CD2 3.49Å; M1122-H1260 VanDerWaalsContact CE-CG 3.48Å; M1122-H1260 HydrophobicContact CG-CB 4.35Å; M1122-H1260 HydrophobicContact SD-CB 4.37Å; M1122-H1260 VanDerWaalsContact SD-CD2 3.58Å
1123E91.3Very high90.8Very high8 Ų832.5 Ų32.54%0.03716%0.162CC..EExtended strand (participates in β ladder)trans-120.8115168.5-172.8170.9101.600108.7R1125 A1136 L1137 W1233 D1234 Q1235 V1236 R1241E1123-R1125 IonicContact OE1-CZ 2.9Å; E1123-R1125 IonicContact OE1-NH1 2.76Å; E1123-R1125 PolarHBondContact OE1-NH1 2.99Å; E1123-R1125 IonicContact OE1-NH2 3.78Å; E1123-A1136 WeakPolarHBondContact O-CA 3.26Å; E1123-L1137 PolarHBondContact N-O 3.16Å; E1123-L1137 PolarHBondContact O-N 3.27Å; E1123-W1233 HydrophobicContact CB-CE3 3.72Å; E1123-W1233 HydrophobicContact CB-CZ3 3.62Å; E1123-D1234 PolarHBondContact OE1-N 2.8Å; E1123-D1234 WeakPolarHBondContact OE2-CA 3.28Å; E1123-D1234 PolarHBondContact OE2-N 3.41Å; E1123-Q1235 PolarHBondContact OE1-N 2.92Å; E1123-V1236 HydrophobicContact CG-CG2 3.83Å; E1123-R1241 IonicContact OE2-NH2 3.54Å; E1123-R1241 PolarHBondContact OE2-NH2 3.44Å
1124L91.6Very high90.6Very high5 Ų532.7 Ų32.73%0.02616%0.163CC..EExtended strand (participates in β ladder)trans-74.5147.8-178.6-72.6163000111.1M1116 M1122 Y1133 A1136 F1160 I1169 V1236 I1263M1116-L1124 HydrophobicContact SD-CD2 4.07Å; M1122-L1124 HydrophobicContact CE-CD1 3.87Å; M1122-L1124 HydrophobicContact CE-CD2 4.01Å; M1122-L1124 HydrophobicContact CE-CG 3.9Å; L1124-Y1133 HydrophobicContact CB-CD1 4Å; L1124-Y1133 HydrophobicContact CB-CE1 4.16Å; L1124-Y1133 HydrophobicContact CD1-CD1 4.18Å; L1124-Y1133 HydrophobicContact CD1-CE1 3.8Å; L1124-Y1133 HydrophobicContact CD1-CE2 4.2Å; L1124-Y1133 HydrophobicContact CD2-CD1 4.34Å; L1124-Y1133 HydrophobicContact CD2-CG 4.22Å; L1124-Y1133 HydrophobicContact CG-CD1 4.41Å; L1124-Y1133 HydrophobicContact CG-CE1 4.46Å; L1124-A1136 HydrophobicContact CD2-CB 4.22Å; L1124-F1160 HydrophobicContact CD2-CE2 4.31Å; L1124-F1160 HydrophobicContact CD2-CZ 4.47Å; L1124-I1169 HydrophobicContact CD1-CD1 3.95Å; L1124-I1169 HydrophobicContact CD1-CG1 3.98Å; L1124-I1169 HydrophobicContact CD2-CD1 4.19Å; L1124-V1236 WeakPolarHBondContact O-CG2 3.27Å; L1124-I1263 HydrophobicContact CB-CD1 3.58Å; L1124-I1263 HydrophobicContact CB-CG1 4.21Å; L1124-I1263 WeakPolarHBondContact O-CD1 3.37Å
1125R89.9Confident90.4Very high6 Ų632.7 Ų32.72%0.02316%0.164CC..EExtended strand (participates in β ladder)trans-109.8141.9173.3-53.2-63.3-178.9-139.93.5109.6E1123 Y1133 T1134 G1135 E1157 H1227 K1232E1123-R1125 IonicContact OE1-CZ 2.9Å; E1123-R1125 IonicContact OE1-NH1 2.76Å; E1123-R1125 PolarHBondContact OE1-NH1 2.99Å; E1123-R1125 IonicContact OE1-NH2 3.78Å; R1125-Y1133 CarbonylContact O-C 3.47Å; R1125-Y1133 VanDerWaalsContact O-CA 3.24Å; R1125-Y1133 WeakPolarHBondContact O-CA 3.42Å; R1125-T1134 PolarHBondContact O-N 3.23Å; R1125-T1134 PolarHBondContact O-OG1 3.45Å; R1125-G1135 WeakPolarHBondContact CB-O 3.2Å; R1125-G1135 PolarHBondContact N-O 3.5Å; R1125-E1157 IonicContact CZ-OE1 3.91Å; R1125-E1157 IonicContact NE-OE1 3.44Å; R1125-E1157 PolarHBondContact NE-OE1 2.88Å; R1125-E1157 IonicContact NH2-OE1 3.87Å; R1125-E1157 PolarHBondContact NH2-OE1 3.47Å; R1125-E1157 VanDerWaalsContact NH2-OE1 3.13Å; R1125-H1227 WeakPolarHBondContact CB-NE2 3.48Å; R1125-K1232 PolarHBondContact NH2-O 2.91Å
1126T89.3Confident90.4Very high31 Ų3132.6 Ų32.619%0.1916%0.163CC..EExtended strand (participates in β ladder)trans-117.8159.5177.558.40000110.7Y1133 T1134 H1227 I1263 L1265T1126-Y1133 HydrophobicContact CG2-CD1 3.92Å; T1126-Y1133 HydrophobicContact CG2-CE1 4.2Å; T1126-T1134 PolarHBondContact O-OG1 2.86Å; T1126-H1227 PolarHBondContact O-CE1 3.36Å; T1126-I1263 HydrophobicContact CG2-CD1 4.35Å; T1126-I1263 HydrophobicContact CG2-CG2 4.43Å; T1126-L1265 HydrophobicContact CG2-CD2 3.88Å
1127N86.9Confident90.3Very high26 Ų2632.6 Ų32.614%0.13916%0.163CC..  trans-68.6169.1164.767.4-28.9000111.4E1129 R1130 S1131 Y1132 T1134N1127-E1129 PolarHBondContact O-N 2.85Å; N1127-R1130 PolarHBondContact O-N 2.84Å; N1127-R1130 VanDerWaalsContact OD1-CA 3.29Å; N1127-R1130 WeakPolarHBondContact OD1-CA 3.33Å; N1127-R1130 PolarHBondContact OD1-N 3.31Å; N1127-R1130 VanDerWaalsContact OD1-N 3.1Å; N1127-S1131 PolarHBondContact ND2-OG 3.11Å; N1127-S1131 PolarHBondContact OD1-N 3.08Å; N1127-Y1132 HydrophobicContact CB-CE1 4.22Å; N1127-Y1132 PolarHBondContact N-O 2.78Å; N1127-Y1132 VanDerWaalsContact ND2-CE1 3.31Å; N1127-Y1132 WeakPolarHBondContact ND2-CE1 3.44Å; N1127-Y1132 PolarHBondContact OD1-N 2.89Å; N1127-Y1132 PolarHBondContact OD1-O 2.88Å; N1127-T1134 HydrophobicContact CB-CG2 3.72Å
1128E83.9Confident90.2Very high204 Ų20432.6 Ų32.695%0.95316%0.163SC*.THydrogen-bonded Turntrans-56-38.7-179.4-63.8-176.7175.200112.6R1130E1128-R1130 VanDerWaalsContact C-N 3.29Å; E1128-R1130 PolarHBondContact O-N 3.43Å
1129E85.3Confident90.1Very high142 Ų14232.6 Ų32.666%0.66416%0.163SC*.THydrogen-bonded Turntrans-77.7-11.1179.6-60.6178168.900113.7N1127 S1131 N1266N1127-E1129 PolarHBondContact O-N 2.85Å; E1129-S1131 VanDerWaalsContact C-N 3.27Å; E1129-S1131 PolarHBondContact O-N 2.76Å; E1129-N1266 PolarHBondContact O-ND2 3.31Å
1130R86.9Confident89.9Confident75 Ų7533.7 Ų33.728%0.28317%0.169SC..  trans54.536.5-170.5-60.8179.8-75.4160.7-3.5113.8N1127 E1128 L1265 N1266N1127-R1130 PolarHBondContact O-N 2.84Å; N1127-R1130 VanDerWaalsContact OD1-CA 3.29Å; N1127-R1130 WeakPolarHBondContact OD1-CA 3.33Å; N1127-R1130 PolarHBondContact OD1-N 3.31Å; N1127-R1130 VanDerWaalsContact OD1-N 3.1Å; E1128-R1130 VanDerWaalsContact C-N 3.29Å; E1128-R1130 PolarHBondContact O-N 3.43Å; R1130-L1265 CarbonylContact O-C 3.52Å; R1130-L1265 WeakPolarHBondContact O-CA 3.44Å; R1130-L1265 VanDerWaalsContact O-CB 3.24Å; R1130-L1265 WeakPolarHBondContact O-CB 3.45Å; R1130-L1265 WeakPolarHBondContact O-CD2 3.37Å; R1130-N1266 HydrophobicContact CB-CB 4.43Å; R1130-N1266 PolarHBondContact NE-ND2 3.08Å; R1130-N1266 PolarHBondContact NH2-ND2 2.62Å; R1130-N1266 PolarHBondContact O-N 3.2Å
1131S86.7Confident89.9Confident53 Ų5333 Ų3337%0.37117%0.166SC..SBendtrans-87.7-23.6177.353.70000113.6N1127 E1129N1127-S1131 PolarHBondContact ND2-OG 3.11Å; N1127-S1131 PolarHBondContact OD1-N 3.08Å; E1129-S1131 VanDerWaalsContact C-N 3.27Å; E1129-S1131 PolarHBondContact O-N 2.76Å
1132Y90.2Very high89.8Confident53 Ų5333.9 Ų33.921%0.20817%0.165CC..SBendtrans-156.5168175.963.7-84.6000112.4N1127 T1134 K1163N1127-Y1132 HydrophobicContact CB-CE1 4.22Å; N1127-Y1132 PolarHBondContact N-O 2.78Å; N1127-Y1132 VanDerWaalsContact ND2-CE1 3.31Å; N1127-Y1132 WeakPolarHBondContact ND2-CE1 3.44Å; N1127-Y1132 PolarHBondContact OD1-N 2.89Å; N1127-Y1132 PolarHBondContact OD1-O 2.88Å; Y1132-T1134 HydrophobicContact CD2-CG2 4.25Å; Y1132-T1134 HydrophobicContact CE2-CG2 3.71Å; Y1132-K1163 HydrophobicContact CD1-CD 4.08Å; Y1132-K1163 HydrophobicContact CD1-CG 4.42Å; Y1132-K1163 HydrophobicContact CD2-CB 4.12Å; Y1132-K1163 HydrophobicContact CD2-CD 4.35Å; Y1132-K1163 HydrophobicContact CD2-CG 3.79Å; Y1132-K1163 HydrophobicContact CE1-CD 4.33Å; Y1132-K1163 HydrophobicContact CE2-CG 4.05Å; Y1132-K1163 HydrophobicContact CG-CB 4.26Å; Y1132-K1163 HydrophobicContact CG-CD 4.1Å; Y1132-K1163 HydrophobicContact CG-CG 4.01Å
1133Y92.1Very high89.4Confident0 Ų035.7 Ų35.70%018%0.175CC..EExtended strand (participates in β ladder)trans-83.7131.5175.4-55.6-59000111.8L1124 R1125 T1126 F1164 D1165 I1169 I1263 L1265L1124-Y1133 HydrophobicContact CB-CD1 4Å; L1124-Y1133 HydrophobicContact CB-CE1 4.16Å; L1124-Y1133 HydrophobicContact CD1-CD1 4.18Å; L1124-Y1133 HydrophobicContact CD1-CE1 3.8Å; L1124-Y1133 HydrophobicContact CD1-CE2 4.2Å; L1124-Y1133 HydrophobicContact CD2-CD1 4.34Å; L1124-Y1133 HydrophobicContact CD2-CG 4.22Å; L1124-Y1133 HydrophobicContact CG-CD1 4.41Å; L1124-Y1133 HydrophobicContact CG-CE1 4.46Å; R1125-Y1133 CarbonylContact O-C 3.47Å; R1125-Y1133 VanDerWaalsContact O-CA 3.24Å; R1125-Y1133 WeakPolarHBondContact O-CA 3.42Å; T1126-Y1133 HydrophobicContact CG2-CD1 3.92Å; T1126-Y1133 HydrophobicContact CG2-CE1 4.2Å; Y1133-F1164 HydrophobicContact CD2-CB 4.07Å; Y1133-F1164 WeakPolarHBondContact CD2-O 3.17Å; Y1133-F1164 PolarHBondContact N-O 3.36Å; Y1133-D1165 VanDerWaalsContact CE2-C 3.45Å; Y1133-D1165 WeakPolarHBondContact CE2-O 3.49Å; Y1133-I1169 HydrophobicContact CD2-CG1 4.33Å; Y1133-I1169 HydrophobicContact CE2-CD1 4.3Å; Y1133-I1169 HydrophobicContact CE2-CG1 3.64Å; Y1133-I1263 HydrophobicContact CE1-CB 4.04Å; Y1133-I1263 HydrophobicContact CE1-CG1 4.49Å; Y1133-I1263 PolarHBondContact OH-N 2.82Å; Y1133-I1263 PolarHBondContact OH-O 3.12Å; Y1133-L1265 HydrophobicContact CD1-CD2 4.19Å; Y1133-L1265 HydrophobicContact CE1-CD2 3.89Å; Y1133-L1265 HydrophobicContact CE1-CG 4.35Å; Y1133-L1265 HydrophobicContact CE2-CD1 4.36Å
1134T90.6Very high88.9Confident5 Ų539.7 Ų39.73%0.03120%0.204CC..EExtended strand (participates in β ladder)trans-104.3-13.7-177.352.80000113.7R1125 T1126 N1127 Y1132 F1160 H1227R1125-T1134 PolarHBondContact O-N 3.23Å; R1125-T1134 PolarHBondContact O-OG1 3.45Å; T1126-T1134 PolarHBondContact O-OG1 2.86Å; N1127-T1134 HydrophobicContact CB-CG2 3.72Å; Y1132-T1134 HydrophobicContact CD2-CG2 4.25Å; Y1132-T1134 HydrophobicContact CE2-CG2 3.71Å; T1134-F1160 PolarHBondContact O-N 3.46Å; T1134-H1227 PolarHBondContact OG1-NE2 3Å
1135G92.3Very high88.4Confident1 Ų146.9 Ų46.91%0.0124%0.241CC..EExtended strand (participates in β ladder)trans179.3178.8-179.300000112.7R1125 L1158 F1160R1125-G1135 WeakPolarHBondContact CB-O 3.2Å; R1125-G1135 PolarHBondContact N-O 3.5Å; G1135-L1158 CarbonylContact C-O 3.6Å; G1135-L1158 WeakPolarHBondContact CA-O 3.41Å; G1135-F1160 VanDerWaalsContact C-CE2 3.41Å; G1135-F1160 WeakPolarHBondContact O-CE2 3.39Å
1136A92.8Very high88.1Confident0 Ų050.3 Ų50.30%026%0.263CS..EExtended strand (participates in β ladder)trans-147141.3172.800000111.2E1123 L1124 E1157 L1158 F1160E1123-A1136 WeakPolarHBondContact O-CA 3.26Å; L1124-A1136 HydrophobicContact CD2-CB 4.22Å; A1136-E1157 WeakPolarHBondContact O-CA 3.49Å; A1136-L1158 PolarHBondContact N-O 2.97Å; A1136-L1158 PolarHBondContact O-N 3.16Å; A1136-F1160 HydrophobicContact CB-CE1 4.24Å; A1136-F1160 HydrophobicContact CB-CE2 4.48Å; A1136-F1160 HydrophobicContact CB-CZ 3.66Å
1137L93.1Very high87.7Confident1 Ų154.2 Ų54.21%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-94.1120.9163.7177.361.6000108.4M1122 E1123 D1155 E1157 K1232 W1233M1122-L1137 CarbonylContact C-O 3.56Å; M1122-L1137 WeakPolarHBondContact CA-O 3.48Å; E1123-L1137 PolarHBondContact N-O 3.16Å; E1123-L1137 PolarHBondContact O-N 3.27Å; L1137-D1155 HydrophobicContact CD1-CB 4.26Å; L1137-E1157 HydrophobicContact CB-CG 4.36Å; L1137-E1157 HydrophobicContact CD1-CB 3.88Å; L1137-E1157 HydrophobicContact CD1-CG 4.49Å; L1137-K1232 WeakPolarHBondContact CD2-O 3.4Å; L1137-W1233 HydrophobicContact CD1-CZ2 4.45Å; L1137-W1233 HydrophobicContact CD2-CB 4.4Å; L1137-W1233 HydrophobicContact CD2-CD2 3.46Å; L1137-W1233 VanDerWaalsContact CD2-CD2 3.46Å; L1137-W1233 HydrophobicContact CD2-CE3 3.97Å; L1137-W1233 HydrophobicContact CD2-CG 3.66Å; L1137-W1233 HydrophobicContact CD2-CZ2 4.07Å; L1137-W1233 HydrophobicContact CD2-CZ3 4.46Å; L1137-W1233 HydrophobicContact CG-CD2 4.01Å; L1137-W1233 HydrophobicContact CG-CE3 4.28Å; L1137-W1233 HydrophobicContact CG-CH2 4Å; L1137-W1233 HydrophobicContact CG-CZ2 3.7Å; L1137-W1233 HydrophobicContact CG-CZ3 4.28Å; L1137-W1233 VanDerWaalsContact O-CH2 3.3Å; L1137-W1233 WeakPolarHBondContact O-CH2 3.36Å
1138C93.2Very high87.6Confident0 Ų059.1 Ų59.10%030%0.3CS..EExtended strand (participates in β ladder)trans-118.3137.9-172.8-67.30000110.4M1115 T1119 D1155 I1156M1115-C1138 HydrophobicContact CE-CB 3.78Å; T1119-C1138 HydrophobicContact CG2-CB 4.11Å; T1119-C1138 WeakPolarHBondContact OG1-CB 3.23Å; C1138-D1155 WeakPolarHBondContact O-CA 3.22Å; C1138-I1156 PolarHBondContact N-O 3.47Å; C1138-I1156 PolarHBondContact O-N 2.88Å
1139G91.6Very high87.8Confident0 Ų051.5 Ų51.50%027%0.268CS..EExtended strand (participates in β ladder)trans166.5-149.5-178.600000112.8Y630 T1119 A1121 G1141Y630-G1139 PolarHBondContact OH-N 2.64Å; T1119-G1139 PolarHBondContact OG1-N 3.46Å; T1119-G1139 VanDerWaalsContact OG1-N 3.11Å; A1121-G1139 PolarHBondContact N-O 3.37Å; A1121-G1139 PolarHBondContact O-N 2.88Å; A1121-G1139 VanDerWaalsContact O-O 3.05Å; G1139-G1141 VanDerWaalsContact C-N 3.34Å
1140L89.6Confident88Confident23 Ų2347.9 Ų47.912%0.1225%0.252CS..SBendtrans-85.3-7.6172.9-78.9-176.8000113.7L449 I452 E453 P1120 I1150 L1151L449-L1140 HydrophobicContact CB-CD1 4.04Å; L449-L1140 WeakPolarHBondContact O-CD1 3.47Å; I452-L1140 HydrophobicContact CG2-CD2 4.06Å; E453-L1140 HydrophobicContact CB-CD1 4.09Å; E453-L1140 HydrophobicContact CB-CD2 3.78Å; E453-L1140 HydrophobicContact CB-CG 3.89Å; E453-L1140 HydrophobicContact CG-CD2 4.38Å; E453-L1140 HydrophobicContact CG-CG 4.36Å; P1120-L1140 HydrophobicContact CB-CD2 4.07Å; P1120-L1140 HydrophobicContact CG-CD2 4.1Å; L1140-I1150 HydrophobicContact CB-CB 4.09Å; L1140-I1150 HydrophobicContact CB-CG2 4.13Å; L1140-I1150 HydrophobicContact CD1-CG2 4.05Å; L1140-L1151 HydrophobicContact CB-CB 4.47Å; L1140-L1151 HydrophobicContact CD1-CB 3.83Å; L1140-L1151 HydrophobicContact CD1-CD2 3.95Å; L1140-L1151 HydrophobicContact CG-CB 4.44Å
1141G89.1Confident88Confident7 Ų744.4 Ų44.47%0.07224%0.24CC..  trans84.7-154.5-174.800000112.6G1139 I1150G1139-G1141 VanDerWaalsContact C-N 3.34Å; G1141-I1150 PolarHBondContact O-N 2.99Å
1142F87.3Confident88Confident44 Ų4443.7 Ų43.719%0.19323%0.234CC..BIsolated β-bridgetrans-129.7156.1-173.365.4-80.6000111.8S1144 K1147 E1148 W1233 D1234F1142-S1144 PolarHBondContact O-N 2.96Å; F1142-K1147 HydrophobicContact CD2-CD 4.23Å; F1142-K1147 HydrophobicContact CE2-CD 4.03Å; F1142-E1148 CarbonylContact C-O 3.57Å; F1142-E1148 VanDerWaalsContact CA-O 3.29Å; F1142-E1148 WeakPolarHBondContact CA-O 3.47Å; F1142-E1148 WeakPolarHBondContact CB-O 3.36Å; F1142-W1233 HydrophobicContact CB-CB 3.7Å; F1142-W1233 HydrophobicContact CB-CG 3.94Å; F1142-W1233 HydrophobicContact CD1-CB 3.48Å; F1142-W1233 VanDerWaalsContact CD1-CB 3.48Å; F1142-W1233 HydrophobicContact CD1-CD2 4.18Å; F1142-W1233 HydrophobicContact CD1-CE3 4.08Å; F1142-W1233 AromaticContact CD1-CG 3.97Å; F1142-W1233 HydrophobicContact CD1-CG 3.97Å; F1142-W1233 HydrophobicContact CE1-CB 4.27Å; F1142-W1233 HydrophobicContact CG-CB 3.77Å; F1142-W1233 HydrophobicContact CG-CG 4.35Å; F1142-D1234 HydrophobicContact CD2-CB 4.3Å; F1142-D1234 HydrophobicContact CE1-CB 4.09Å; F1142-D1234 HydrophobicContact CE2-CB 3.78Å; F1142-D1234 HydrophobicContact CZ-CB 3.65Å; F1142-D1234 WeakPolarHBondContact CZ-OD1 3.34Å
1143N84.5Confident87.6Confident66 Ų6642.2 Ų42.235%0.35323%0.229SC..  trans-74.8123174.9-175.6-37.2000109.9L1145 T1146 K1147 E1148N1143-L1145 PolarHBondContact O-N 3.45Å; N1143-L1145 WeakPolarHBondContact OD1-CB 3.41Å; N1143-L1145 PolarHBondContact OD1-N 3.39Å; N1143-T1146 WeakPolarHBondContact CB-OG1 3.43Å; N1143-T1146 PolarHBondContact OD1-N 2.87Å; N1143-K1147 VanDerWaalsContact O-CA 3.24Å; N1143-K1147 WeakPolarHBondContact O-CA 3.37Å; N1143-K1147 PolarHBondContact O-N 3.29Å; N1143-E1148 PolarHBondContact N-O 2.9Å
1144S79.4Confident87.5Confident92 Ų9243.1 Ų43.164%0.64323%0.234SC*.THydrogen-bonded Turntrans-59.7-27.8-178.661.20000114.7F1142F1142-S1144 PolarHBondContact O-N 2.96Å
1145L81Confident87.5Confident155 Ų15543 Ų4381%0.81223%0.233SC*.THydrogen-bonded Turntrans-86.3-48.6-179.2-64171.1000112.3N1143N1143-L1145 PolarHBondContact O-N 3.45Å; N1143-L1145 WeakPolarHBondContact OD1-CB 3.41Å; N1143-L1145 PolarHBondContact OD1-N 3.39Å
1146T83.4Confident87.4Confident79 Ų7943.2 Ų43.249%0.48523%0.234SC..THydrogen-bonded Turntrans-89.7-16.3-175.7660000113.5N1143 E1148N1143-T1146 WeakPolarHBondContact CB-OG1 3.43Å; N1143-T1146 PolarHBondContact OD1-N 2.87Å; T1146-E1148 PolarHBondContact O-N 2.83Å; T1146-E1148 PolarHBondContact OG1-N 2.69Å
1147K81.3Confident87.3Confident112 Ų11243.7 Ų43.749%0.48724%0.236SC..  trans61.511.5-172.3-55.5-62.9-170160.20114.5F1142 N1143 D1234F1142-K1147 HydrophobicContact CD2-CD 4.23Å; F1142-K1147 HydrophobicContact CE2-CD 4.03Å; N1143-K1147 VanDerWaalsContact O-CA 3.24Å; N1143-K1147 WeakPolarHBondContact O-CA 3.37Å; N1143-K1147 PolarHBondContact O-N 3.29Å; K1147-D1234 WeakPolarHBondContact CD-OD2 3.42Å; K1147-D1234 WeakPolarHBondContact CE-OD2 3.45Å; K1147-D1234 IonicContact NZ-OD1 3.58Å; K1147-D1234 IonicContact NZ-OD2 2.74Å; K1147-D1234 PolarHBondContact NZ-OD2 3.25Å
1148E85.8Confident87.3Confident129 Ų12943.8 Ų43.860%0.60324%0.236SC*.  trans-87.6148.1177.2-66.1-177.6154.400111.6F1142 N1143 T1146F1142-E1148 CarbonylContact C-O 3.57Å; F1142-E1148 VanDerWaalsContact CA-O 3.29Å; F1142-E1148 WeakPolarHBondContact CA-O 3.47Å; F1142-E1148 WeakPolarHBondContact CB-O 3.36Å; N1143-E1148 PolarHBondContact N-O 2.9Å; T1146-E1148 PolarHBondContact O-N 2.83Å; T1146-E1148 PolarHBondContact OG1-N 2.69Å
1149P87.7Confident87.2Confident45 Ų4544.4 Ų44.429%0.29224%0.241SC..BIsolated β-bridgetrans-60.7141.4173.225.4-33.6000111.3P1152P1149-P1152 HydrophobicContact CB-CB 3.96Å; P1149-P1152 HydrophobicContact CB-CG 4.47Å; P1149-P1152 HydrophobicContact CG-CB 3.73Å; P1149-P1152 HydrophobicContact CG-CG 4.11Å
1150I88.8Confident87.2Confident65 Ų6544.5 Ų44.533%0.33324%0.242SC..SBendtrans-75-42.9-177.5-65.7171.4000111.6L449 L1140 G1141L449-I1150 HydrophobicContact CD1-CG2 3.99Å; L449-I1150 HydrophobicContact CD2-CG2 3.66Å; L449-I1150 HydrophobicContact CG-CG2 4.37Å; L1140-I1150 HydrophobicContact CB-CB 4.09Å; L1140-I1150 HydrophobicContact CB-CG2 4.13Å; L1140-I1150 HydrophobicContact CD1-CG2 4.05Å; G1141-I1150 PolarHBondContact O-N 2.99Å
1151L87.8Confident87.3Confident3 Ų343.8 Ų43.82%0.01624%0.238CC..SBendtrans-140.370.4-179.3-169.866.4000110.9R446 L449 E450 L1140 E1153 N1154R446-L1151 HydrophobicContact CG-CD1 4.34Å; L449-L1151 HydrophobicContact CB-CD1 4.46Å; E450-L1151 HydrophobicContact CG-CD2 4.38Å; L1140-L1151 HydrophobicContact CB-CB 4.47Å; L1140-L1151 HydrophobicContact CD1-CB 3.83Å; L1140-L1151 HydrophobicContact CD1-CD2 3.95Å; L1140-L1151 HydrophobicContact CG-CB 4.44Å; L1151-E1153 VanDerWaalsContact C-N 3.26Å; L1151-E1153 HydrophobicContact CD1-CG 4.04Å; L1151-E1153 VanDerWaalsContact CD1-OE1 3.23Å; L1151-E1153 WeakPolarHBondContact CD1-OE1 3.39Å; L1151-E1153 HydrophobicContact CG-CG 4.21Å; L1151-E1153 PolarHBondContact O-N 3.49Å; L1151-E1153 VanDerWaalsContact O-N 3.16Å; L1151-N1154 HydrophobicContact CD2-CB 4.11Å; L1151-N1154 HydrophobicContact CG-CB 4.25Å; L1151-N1154 PolarHBondContact O-N 2.69Å; L1151-N1154 VanDerWaalsContact O-N 3.08Å
1152P86.3Confident87.5Confident38 Ų3843.5 Ų43.525%0.24724%0.235CC..THydrogen-bonded Turntrans-63.5-24.2-167.723-33000115.2P1149 N1154 D1155P1149-P1152 HydrophobicContact CB-CB 3.96Å; P1149-P1152 HydrophobicContact CB-CG 4.47Å; P1149-P1152 HydrophobicContact CG-CB 3.73Å; P1149-P1152 HydrophobicContact CG-CG 4.11Å; P1152-N1154 PolarHBondContact O-N 3.26Å; P1152-D1155 PolarHBondContact O-N 3.32Å
1153E83.2Confident87.7Confident22 Ų2244.3 Ų44.310%0.10324%0.238CC..THydrogen-bonded Turntrans-63.4-26174.646.6-93.5-148.500114S1050 K1052 L1151S1050-E1153 PolarHBondContact OG-O 2.98Å; K1052-E1153 HydrophobicContact CD-CB 3.99Å; K1052-E1153 IonicContact NZ-OE2 3.48Å; K1052-E1153 PolarHBondContact NZ-OE2 3.25Å; L1151-E1153 VanDerWaalsContact C-N 3.26Å; L1151-E1153 HydrophobicContact CD1-CG 4.04Å; L1151-E1153 VanDerWaalsContact CD1-OE1 3.23Å; L1151-E1153 WeakPolarHBondContact CD1-OE1 3.39Å; L1151-E1153 HydrophobicContact CG-CG 4.21Å; L1151-E1153 PolarHBondContact O-N 3.49Å; L1151-E1153 VanDerWaalsContact O-N 3.16Å
1154N88.3Confident88.1Confident19 Ų1941.1 Ų41.110%0.10222%0.221CC..THydrogen-bonded Turntrans-105.1-3-178-71.40.3000112.9E453 P631 L1151 P1152 I1156E453-N1154 WeakPolarHBondContact OE1-CB 3.28Å; E453-N1154 PolarHBondContact OE2-ND2 3.41Å; P631-N1154 HydrophobicContact CG-CB 4Å; L1151-N1154 HydrophobicContact CD2-CB 4.11Å; L1151-N1154 HydrophobicContact CG-CB 4.25Å; L1151-N1154 PolarHBondContact O-N 2.69Å; L1151-N1154 VanDerWaalsContact O-N 3.08Å; P1152-N1154 PolarHBondContact O-N 3.26Å; N1154-I1156 PolarHBondContact O-N 3.21Å
1155D90.6Very high88.6Confident3 Ų339 Ų392%0.01620%0.203CC..  trans-67.1128.3174-74.1-15000110.4L1137 C1138 P1152 W1233L1137-D1155 HydrophobicContact CD1-CB 4.26Å; C1138-D1155 WeakPolarHBondContact O-CA 3.22Å; P1152-D1155 PolarHBondContact O-N 3.32Å; D1155-W1233 PolarHBondContact OD2-NE1 3.42Å
1156I91.1Very high89.1Confident5 Ų533.1 Ų33.13%0.02617%0.173CC..EExtended strand (participates in β ladder)trans-123.2120.2177.4-56.5175.2000108.4P631 Y633 L1049 M1115 C1138 N1154P631-I1156 HydrophobicContact CB-CD1 3.81Å; P631-I1156 WeakPolarHBondContact O-CD1 3.24Å; Y633-I1156 HydrophobicContact CD2-CD1 4.48Å; L1049-I1156 HydrophobicContact CB-CG2 3.76Å; L1049-I1156 HydrophobicContact CD1-CG2 4.28Å; M1115-I1156 HydrophobicContact CE-CB 3.74Å; M1115-I1156 HydrophobicContact CE-CG2 3.45Å; M1115-I1156 VanDerWaalsContact CE-CG2 3.45Å; M1115-I1156 HydrophobicContact SD-CG2 4.04Å; C1138-I1156 PolarHBondContact N-O 3.47Å; C1138-I1156 PolarHBondContact O-N 2.88Å; N1154-I1156 PolarHBondContact O-N 3.21Å
1157E91.3Very high89.4Confident10 Ų1034.3 Ų34.35%0.04717%0.174CC..EExtended strand (participates in β ladder)trans-100.2121.8168.6-166.6165.8-140.400110.6R1125 A1136 L1137 Y1230 G1231R1125-E1157 IonicContact CZ-OE1 3.91Å; R1125-E1157 IonicContact NE-OE1 3.44Å; R1125-E1157 PolarHBondContact NE-OE1 2.88Å; R1125-E1157 IonicContact NH2-OE1 3.87Å; R1125-E1157 PolarHBondContact NH2-OE1 3.47Å; R1125-E1157 VanDerWaalsContact NH2-OE1 3.13Å; A1136-E1157 WeakPolarHBondContact O-CA 3.49Å; L1137-E1157 HydrophobicContact CB-CG 4.36Å; L1137-E1157 HydrophobicContact CD1-CB 3.88Å; L1137-E1157 HydrophobicContact CD1-CG 4.49Å; E1157-Y1230 HydrophobicContact CB-CD2 4.46Å; E1157-Y1230 HydrophobicContact CB-CE2 3.82Å; E1157-Y1230 HydrophobicContact CG-CD2 4.44Å; E1157-Y1230 HydrophobicContact CG-CE2 4.09Å; E1157-Y1230 PolarHBondContact O-OH 3.33Å; E1157-Y1230 VanDerWaalsContact O-OH 3.11Å; E1157-Y1230 VanDerWaalsContact OE2-CA 3.29Å; E1157-Y1230 WeakPolarHBondContact OE2-CA 3.45Å; E1157-Y1230 WeakPolarHBondContact OE2-CD2 3.46Å; E1157-Y1230 WeakPolarHBondContact OE2-CE2 3.43Å; E1157-G1231 WeakPolarHBondContact OE2-CA 3.31Å; E1157-G1231 PolarHBondContact OE2-N 2.98Å
1158L91.4Very high89.9Confident3 Ų329.1 Ų29.12%0.01615%0.152CC..EExtended strand (participates in β ladder)trans-116.2124.6-179.9-169.879000110.2F635 L1049 P1111 G1112 M1115 G1135 A1136 F1160F635-L1158 HydrophobicContact CD1-CD1 4.23Å; F635-L1158 HydrophobicContact CE1-CD1 3.48Å; F635-L1158 VanDerWaalsContact CE1-CD1 3.48Å; F635-L1158 HydrophobicContact CZ-CD1 3.78Å; L1049-L1158 HydrophobicContact CD1-CD1 3.46Å; L1049-L1158 VanDerWaalsContact CD1-CD1 3.46Å; P1111-L1158 HydrophobicContact CB-CD2 4.09Å; G1112-L1158 VanDerWaalsContact CA-CD2 3.5Å; M1115-L1158 HydrophobicContact CE-CB 3.78Å; M1115-L1158 HydrophobicContact SD-CB 3.77Å; M1115-L1158 HydrophobicContact SD-CD1 4.15Å; M1115-L1158 HydrophobicContact SD-CD2 3.7Å; M1115-L1158 HydrophobicContact SD-CG 4.08Å; G1135-L1158 CarbonylContact C-O 3.6Å; G1135-L1158 WeakPolarHBondContact CA-O 3.41Å; A1136-L1158 PolarHBondContact N-O 2.97Å; A1136-L1158 PolarHBondContact O-N 3.16Å; L1158-F1160 HydrophobicContact CD2-CD1 4.23Å; L1158-F1160 HydrophobicContact CD2-CE1 4.3Å
1159A91.4Very high90.3Very high12 Ų1223 Ų2310%0.09912%0.123CC..EExtended strand (participates in β ladder)trans-81.7133.416500000109.8Q1079 P1224 T1225Q1079-A1159 PolarHBondContact NE2-O 3.31Å; A1159-P1224 HydrophobicContact CB-CB 3.86Å; A1159-T1225 WeakPolarHBondContact CB-O 3.37Å
1160F93Very high90.4Very high3 Ų324.8 Ų24.81%0.01313%0.13CC..EExtended strand (participates in β ladder)trans-81.4141.1-176.9-60.3-35.3000112M1116 L1124 T1134 G1135 A1136 L1158 F1164M1116-F1160 HydrophobicContact CE-CE1 4.37Å; M1116-F1160 HydrophobicContact CE-CZ 3.96Å; M1116-F1160 HydrophobicContact CG-CZ 4.33Å; M1116-F1160 HydrophobicContact SD-CE2 4.41Å; M1116-F1160 HydrophobicContact SD-CZ 3.74Å; L1124-F1160 HydrophobicContact CD2-CE2 4.31Å; L1124-F1160 HydrophobicContact CD2-CZ 4.47Å; T1134-F1160 PolarHBondContact O-N 3.46Å; G1135-F1160 VanDerWaalsContact C-CE2 3.41Å; G1135-F1160 WeakPolarHBondContact O-CE2 3.39Å; A1136-F1160 HydrophobicContact CB-CE1 4.24Å; A1136-F1160 HydrophobicContact CB-CE2 4.48Å; A1136-F1160 HydrophobicContact CB-CZ 3.66Å; L1158-F1160 HydrophobicContact CD2-CD1 4.23Å; L1158-F1160 HydrophobicContact CD2-CE1 4.3Å; F1160-F1164 HydrophobicContact CB-CD2 3.96Å; F1160-F1164 HydrophobicContact CB-CE2 3.92Å; F1160-F1164 HydrophobicContact CD1-CD2 4.07Å; F1160-F1164 AromaticContact CD1-CE2 3.72Å; F1160-F1164 HydrophobicContact CD1-CE2 3.72Å; F1160-F1164 AromaticContact CD2-CD2 3.35Å; F1160-F1164 HydrophobicContact CD2-CD2 3.35Å; F1160-F1164 AromaticContact CD2-CE2 3.89Å; F1160-F1164 HydrophobicContact CD2-CE2 3.89Å; F1160-F1164 HydrophobicContact CD2-CG 4.41Å; F1160-F1164 HydrophobicContact CE1-CD2 4.38Å; F1160-F1164 HydrophobicContact CE1-CE2 4.14Å; F1160-F1164 AromaticContact CE2-CD2 3.7Å; F1160-F1164 HydrophobicContact CE2-CD2 3.7Å; F1160-F1164 HydrophobicContact CE2-CE2 4.27Å; F1160-F1164 AromaticContact CG-CD2 3.54Å; F1160-F1164 HydrophobicContact CG-CD2 3.54Å; F1160-F1164 AromaticContact CG-CE2 3.58Å; F1160-F1164 HydrophobicContact CG-CE2 3.58Å; F1160-F1164 HydrophobicContact CZ-CD2 4.2Å; F1160-F1164 HydrophobicContact CZ-CE2 4.38Å
1161D91.3Very high90.6Very high8 Ų824.2 Ų24.24%0.04313%0.125CC..EExtended strand (participates in β ladder)trans-96.61.2175.556.6-0.3000112.9H1078 Q1079 G1109 A1221 V1222 P1224H1078-D1161 WeakPolarHBondContact CA-OD2 3.48Å; H1078-D1161 HydrophobicContact CB-CB 4.41Å; H1078-D1161 VanDerWaalsContact CB-OD2 3.24Å; H1078-D1161 WeakPolarHBondContact CB-OD2 3.21Å; Q1079-D1161 PolarHBondContact N-OD2 3.32Å; G1109-D1161 WeakPolarHBondContact CA-OD1 3.35Å; G1109-D1161 PolarHBondContact N-OD1 2.86Å; D1161-A1221 WeakPolarHBondContact O-CA 3.28Å; D1161-V1222 CarbonylContact C-O 3.53Å; D1161-V1222 WeakPolarHBondContact CA-O 3.49Å; D1161-V1222 PolarHBondContact O-N 3.17Å; D1161-V1222 VanDerWaalsContact O-O 3.04Å; D1161-P1224 HydrophobicContact CB-CG 4.1Å
1162V91.9Very high90.9Very high0 Ų024 Ų240%013%0.125CC..EExtended strand (participates in β ladder)trans-138.7155.7174-59.50000110.8P1108 F1164 R1219 E1220P1108-V1162 HydrophobicContact CB-CG1 3.65Å; V1162-F1164 HydrophobicContact CG2-CD1 4.42Å; V1162-F1164 HydrophobicContact CG2-CD2 4.06Å; V1162-F1164 HydrophobicContact CG2-CE1 3.88Å; V1162-F1164 HydrophobicContact CG2-CE2 3.51Å; V1162-F1164 HydrophobicContact CG2-CZ 3.41Å; V1162-F1164 VanDerWaalsContact CG2-CZ 3.41Å; V1162-F1164 PolarHBondContact O-N 3.33Å; V1162-R1219 HydrophobicContact CB-CB 3.93Å; V1162-R1219 HydrophobicContact CG1-CB 4.35Å; V1162-R1219 HydrophobicContact CG2-CB 4.19Å; V1162-E1220 CarbonylContact C-O 3.48Å; V1162-E1220 VanDerWaalsContact CA-O 3.23Å; V1162-E1220 WeakPolarHBondContact CA-O 3.33Å
1163K91.9Very high91.2Very high61 Ų6123 Ų2327%0.26512%0.117SC..EExtended strand (participates in β ladder)trans-73.2117.5172.9-61-172-173.6164.60110.1Y1132 E1220 V1222Y1132-K1163 HydrophobicContact CD1-CD 4.08Å; Y1132-K1163 HydrophobicContact CD1-CG 4.42Å; Y1132-K1163 HydrophobicContact CD2-CB 4.12Å; Y1132-K1163 HydrophobicContact CD2-CD 4.35Å; Y1132-K1163 HydrophobicContact CD2-CG 3.79Å; Y1132-K1163 HydrophobicContact CE1-CD 4.33Å; Y1132-K1163 HydrophobicContact CE2-CG 4.05Å; Y1132-K1163 HydrophobicContact CG-CB 4.26Å; Y1132-K1163 HydrophobicContact CG-CD 4.1Å; Y1132-K1163 HydrophobicContact CG-CG 4.01Å; K1163-E1220 HydrophobicContact CD-CB 4.23Å; K1163-E1220 WeakPolarHBondContact CD-OE2 3.34Å; K1163-E1220 VanDerWaalsContact CE-CD 3.48Å; K1163-E1220 WeakPolarHBondContact CE-OE1 3.18Å; K1163-E1220 WeakPolarHBondContact CE-OE2 3.14Å; K1163-E1220 HydrophobicContact CG-CB 4.34Å; K1163-E1220 PolarHBondContact N-O 3.07Å; K1163-E1220 IonicContact NZ-OE1 3.31Å; K1163-E1220 PolarHBondContact NZ-OE1 3.41Å; K1163-E1220 IonicContact NZ-OE2 3.36Å; K1163-E1220 PolarHBondContact NZ-OE2 3.26Å; K1163-V1222 HydrophobicContact CD-CG1 4.16Å; K1163-V1222 VanDerWaalsContact CE-CG1 3.49Å; K1163-V1222 HydrophobicContact CG-CG1 3.54Å; K1163-V1222 HydrophobicContact CG-CG2 4.43Å
1164F92.9Very high91.6Very high0 Ų024 Ų240%013%0.129CC..EExtended strand (participates in β ladder)trans-100.6146.4167-65.1-74.7000110.9L1113 M1116 Y1133 F1160 V1162 D1168L1113-F1164 HydrophobicContact CD1-CE1 4.45Å; L1113-F1164 HydrophobicContact CD2-CD1 4.31Å; L1113-F1164 HydrophobicContact CD2-CE1 3.53Å; L1113-F1164 HydrophobicContact CD2-CZ 4.19Å; L1113-F1164 HydrophobicContact CG-CE1 3.72Å; L1113-F1164 HydrophobicContact CG-CZ 3.96Å; M1116-F1164 HydrophobicContact CE-CD1 4.19Å; M1116-F1164 HydrophobicContact CE-CD2 4.24Å; M1116-F1164 HydrophobicContact CE-CE1 4.16Å; M1116-F1164 HydrophobicContact CE-CE2 4.18Å; M1116-F1164 HydrophobicContact CE-CG 4.22Å; M1116-F1164 HydrophobicContact CE-CZ 4.13Å; Y1133-F1164 HydrophobicContact CD2-CB 4.07Å; Y1133-F1164 WeakPolarHBondContact CD2-O 3.17Å; Y1133-F1164 PolarHBondContact N-O 3.36Å; F1160-F1164 HydrophobicContact CB-CD2 3.96Å; F1160-F1164 HydrophobicContact CB-CE2 3.92Å; F1160-F1164 HydrophobicContact CD1-CD2 4.07Å; F1160-F1164 AromaticContact CD1-CE2 3.72Å; F1160-F1164 HydrophobicContact CD1-CE2 3.72Å; F1160-F1164 AromaticContact CD2-CD2 3.35Å; F1160-F1164 HydrophobicContact CD2-CD2 3.35Å; F1160-F1164 AromaticContact CD2-CE2 3.89Å; F1160-F1164 HydrophobicContact CD2-CE2 3.89Å; F1160-F1164 HydrophobicContact CD2-CG 4.41Å; F1160-F1164 HydrophobicContact CE1-CD2 4.38Å; F1160-F1164 HydrophobicContact CE1-CE2 4.14Å; F1160-F1164 AromaticContact CE2-CD2 3.7Å; F1160-F1164 HydrophobicContact CE2-CD2 3.7Å; F1160-F1164 HydrophobicContact CE2-CE2 4.27Å; F1160-F1164 AromaticContact CG-CD2 3.54Å; F1160-F1164 HydrophobicContact CG-CD2 3.54Å; F1160-F1164 AromaticContact CG-CE2 3.58Å; F1160-F1164 HydrophobicContact CG-CE2 3.58Å; F1160-F1164 HydrophobicContact CZ-CD2 4.2Å; F1160-F1164 HydrophobicContact CZ-CE2 4.38Å; V1162-F1164 HydrophobicContact CG2-CD1 4.42Å; V1162-F1164 HydrophobicContact CG2-CD2 4.06Å; V1162-F1164 HydrophobicContact CG2-CE1 3.88Å; V1162-F1164 HydrophobicContact CG2-CE2 3.51Å; V1162-F1164 HydrophobicContact CG2-CZ 3.41Å; V1162-F1164 VanDerWaalsContact CG2-CZ 3.41Å; V1162-F1164 PolarHBondContact O-N 3.33Å; F1164-D1168 VanDerWaalsContact CA-OD2 3.28Å; F1164-D1168 WeakPolarHBondContact CA-OD2 3.48Å; F1164-D1168 HydrophobicContact CD1-CB 4.07Å; F1164-D1168 WeakPolarHBondContact CD1-OD2 3.31Å
1165D90.9Very high91.9Very high47 Ų4723.2 Ų23.225%0.25113%0.125SC..  trans-124.7179.4178.568.712.4000112.5Y1133 M1167 D1168 R1215Y1133-D1165 VanDerWaalsContact CE2-C 3.45Å; Y1133-D1165 WeakPolarHBondContact CE2-O 3.49Å; D1165-M1167 PolarHBondContact O-N 3.4Å; D1165-M1167 WeakPolarHBondContact OD1-CA 3.43Å; D1165-M1167 WeakPolarHBondContact OD1-CB 3.42Å; D1165-M1167 PolarHBondContact OD1-N 3.12Å; D1165-D1168 PolarHBondContact N-OD2 3.05Å; D1165-D1168 WeakPolarHBondContact O-CB 3.47Å; D1165-D1168 PolarHBondContact O-N 2.87Å; D1165-D1168 PolarHBondContact OD1-N 2.87Å; D1165-R1215 IonicContact OD1-CZ 3.31Å; D1165-R1215 IonicContact OD1-NH1 3.85Å; D1165-R1215 PolarHBondContact OD1-NH1 2.91Å; D1165-R1215 IonicContact OD1-NH2 2.77Å; D1165-R1215 IonicContact OD2-CZ 3.1Å; D1165-R1215 IonicContact OD2-NH1 3.03Å; D1165-R1215 PolarHBondContact OD2-NH1 2.97Å; D1165-R1215 IonicContact OD2-NH2 2.66Å; D1165-R1215 PolarHBondContact OD2-NH2 3.47Å
1166V90.6Very high91.9Very high31 Ų3123.1 Ų23.119%0.18812%0.124CC..Hα-helixtrans-59-31179.3179.90000112D1168 I1169 I1170 P1262 L1265V1166-D1168 VanDerWaalsContact C-N 3.34Å; V1166-D1168 PolarHBondContact O-N 3Å; V1166-I1169 PolarHBondContact O-N 2.95Å; V1166-I1170 HydrophobicContact CG1-CD1 4Å; V1166-I1170 HydrophobicContact CG1-CG1 4.42Å; V1166-I1170 WeakPolarHBondContact O-CG1 3.37Å; V1166-I1170 PolarHBondContact O-N 3.45Å; V1166-P1262 HydrophobicContact CG1-CB 4.2Å; V1166-L1265 HydrophobicContact CG2-CD1 3.98Å; V1166-L1265 HydrophobicContact CG2-CG 4.11Å
1167M90.1Very high91.8Very high104 Ų10427.7 Ų27.751%0.51215%0.146SC..Hα-helixtrans-68.2-35.2-179.8-62.7-60.4-62.200111.6D1165 I1169 I1170 E1171D1165-M1167 PolarHBondContact O-N 3.4Å; D1165-M1167 WeakPolarHBondContact OD1-CA 3.43Å; D1165-M1167 WeakPolarHBondContact OD1-CB 3.42Å; D1165-M1167 PolarHBondContact OD1-N 3.12Å; M1167-I1169 VanDerWaalsContact C-N 3.32Å; M1167-I1169 PolarHBondContact O-N 3.47Å; M1167-I1170 PolarHBondContact O-N 3.41Å; M1167-I1170 HydrophobicContact SD-CD1 4.1Å; M1167-E1171 PolarHBondContact O-N 3.05Å
1168D92.3Very high91.8Very high3 Ų328 Ų282%0.01615%0.151CC..Hα-helixtrans-60.2-43.9173.3-64.6-60.1000111.5F1164 D1165 V1166 I1170 E1171 I1172 R1215 R1219F1164-D1168 VanDerWaalsContact CA-OD2 3.28Å; F1164-D1168 WeakPolarHBondContact CA-OD2 3.48Å; F1164-D1168 HydrophobicContact CD1-CB 4.07Å; F1164-D1168 WeakPolarHBondContact CD1-OD2 3.31Å; D1165-D1168 PolarHBondContact N-OD2 3.05Å; D1165-D1168 WeakPolarHBondContact O-CB 3.47Å; D1165-D1168 PolarHBondContact O-N 2.87Å; D1165-D1168 PolarHBondContact OD1-N 2.87Å; V1166-D1168 VanDerWaalsContact C-N 3.34Å; V1166-D1168 PolarHBondContact O-N 3Å; D1168-I1170 VanDerWaalsContact C-N 3.32Å; D1168-I1170 PolarHBondContact O-N 3.38Å; D1168-E1171 PolarHBondContact O-N 2.86Å; D1168-I1172 WeakPolarHBondContact O-CD1 3.32Å; D1168-I1172 VanDerWaalsContact O-CG1 3.26Å; D1168-I1172 WeakPolarHBondContact O-CG1 3.44Å; D1168-I1172 PolarHBondContact O-N 3.4Å; D1168-R1215 IonicContact OD1-CZ 3.94Å; D1168-R1215 IonicContact OD1-NH1 3.45Å; D1168-R1215 PolarHBondContact OD1-NH1 3.37Å; D1168-R1215 IonicContact OD2-NH1 3.67Å; D1168-R1215 PolarHBondContact OD2-NH1 2.64Å; D1168-R1219 IonicContact OD1-CZ 3.13Å; D1168-R1219 VanDerWaalsContact OD1-CZ 3.27Å; D1168-R1219 IonicContact OD1-NE 3.56Å; D1168-R1219 PolarHBondContact OD1-NE 3.41Å; D1168-R1219 IonicContact OD1-NH2 2.67Å; D1168-R1219 PolarHBondContact OD1-NH2 3.21Å; D1168-R1219 IonicContact OD2-NE 2.86Å
1169I92.9Very high91.7Very high0 Ų027.9 Ų27.90%015%0.151CC..Hα-helixtrans-66.6-36.8179.5-52.2-51.5000111.1M1116 M1122 L1124 Y1133 V1166 M1167 I1172 N1173 H1260 P1262M1116-I1169 HydrophobicContact SD-CD1 3.8Å; M1122-I1169 HydrophobicContact CE-CD1 3.86Å; M1122-I1169 HydrophobicContact CE-CG2 4.33Å; L1124-I1169 HydrophobicContact CD1-CD1 3.95Å; L1124-I1169 HydrophobicContact CD1-CG1 3.98Å; L1124-I1169 HydrophobicContact CD2-CD1 4.19Å; Y1133-I1169 HydrophobicContact CD2-CG1 4.33Å; Y1133-I1169 HydrophobicContact CE2-CD1 4.3Å; Y1133-I1169 HydrophobicContact CE2-CG1 3.64Å; V1166-I1169 PolarHBondContact O-N 2.95Å; M1167-I1169 VanDerWaalsContact C-N 3.32Å; M1167-I1169 PolarHBondContact O-N 3.47Å; I1169-I1172 HydrophobicContact CD1-CD1 4.3Å; I1169-I1172 PolarHBondContact O-N 3.31Å; I1169-N1173 WeakPolarHBondContact O-CB 3.35Å; I1169-N1173 PolarHBondContact O-N 2.72Å; I1169-H1260 HydrophobicContact CG2-CB 4.33Å; I1169-P1262 HydrophobicContact CB-CG 4.47Å; I1169-P1262 HydrophobicContact CG2-CB 4.36Å; I1169-P1262 HydrophobicContact CG2-CG 3.94Å
1170I91.2Very high91.5Very high84 Ų8427.9 Ų27.943%0.43115%0.149SC..Hα-helixtrans-63-46.5174.9-68.8167.3000110.8V1166 M1167 D1168 N1173 A1174V1166-I1170 HydrophobicContact CG1-CD1 4Å; V1166-I1170 HydrophobicContact CG1-CG1 4.42Å; V1166-I1170 WeakPolarHBondContact O-CG1 3.37Å; V1166-I1170 PolarHBondContact O-N 3.45Å; M1167-I1170 PolarHBondContact O-N 3.41Å; M1167-I1170 HydrophobicContact SD-CD1 4.1Å; D1168-I1170 VanDerWaalsContact C-N 3.32Å; D1168-I1170 PolarHBondContact O-N 3.38Å; I1170-N1173 PolarHBondContact O-N 3.07Å; I1170-A1174 WeakPolarHBondContact O-CB 3.36Å; I1170-A1174 PolarHBondContact O-N 2.9Å
1171E92.6Very high91.2Very high52 Ų5230.6 Ų30.624%0.24317%0.168CC..Hα-helixtrans-66.8-38.2178.9-166.871.1-160.300111.3M1167 D1168 N1173 A1174 L1175 R1211 L1212M1167-E1171 PolarHBondContact O-N 3.05Å; D1168-E1171 PolarHBondContact O-N 2.86Å; E1171-N1173 PolarHBondContact O-N 2.84Å; E1171-A1174 PolarHBondContact O-N 2.87Å; E1171-L1175 PolarHBondContact O-N 3.22Å; E1171-R1211 IonicContact OE1-CZ 3.63Å; E1171-R1211 IonicContact OE1-NE 3.52Å; E1171-R1211 PolarHBondContact OE1-NE 2.63Å; E1171-R1211 IonicContact OE1-NH2 2.61Å; E1171-R1211 PolarHBondContact OE1-NH2 3.06Å; E1171-R1211 VanDerWaalsContact OE1-NH2 3.1Å; E1171-L1212 HydrophobicContact CB-CD1 4.1Å; E1171-L1212 HydrophobicContact CG-CB 4.3Å; E1171-L1212 HydrophobicContact CG-CD1 4.13Å
1172I94.4Very high90.9Very high0 Ų030.2 Ų30.20%017%0.166CC..Hα-helixtrans-59.5-47172.8-71.2162.4000110.6L1113 M1116 L1117 D1168 I1169 L1175 R1176 L1212L1113-I1172 HydrophobicContact CD2-CD1 4.28Å; M1116-I1172 HydrophobicContact CB-CD1 3.88Å; M1116-I1172 HydrophobicContact CE-CD1 3.85Å; M1116-I1172 HydrophobicContact SD-CD1 4.13Å; L1117-I1172 HydrophobicContact CD1-CG2 4.49Å; D1168-I1172 WeakPolarHBondContact O-CD1 3.32Å; D1168-I1172 VanDerWaalsContact O-CG1 3.26Å; D1168-I1172 WeakPolarHBondContact O-CG1 3.44Å; D1168-I1172 PolarHBondContact O-N 3.4Å; I1169-I1172 HydrophobicContact CD1-CD1 4.3Å; I1169-I1172 PolarHBondContact O-N 3.31Å; I1172-L1175 PolarHBondContact O-N 3.17Å; I1172-R1176 HydrophobicContact CG2-CG 4.48Å; I1172-R1176 WeakPolarHBondContact O-CG 3.39Å; I1172-R1176 PolarHBondContact O-N 2.73Å; I1172-L1212 HydrophobicContact CG1-CD1 3.94Å; I1172-L1212 HydrophobicContact CG1-CD2 3.95Å
1173N92.8Very high90.5Very high16 Ų1630.4 Ų30.49%0.08617%0.167CC..Hα-helixtrans-65.5-37.9177.6-80.3-19.7000112.2I1169 I1170 E1171 L1175 R1176 M1177 L1259 H1260I1169-N1173 WeakPolarHBondContact O-CB 3.35Å; I1169-N1173 PolarHBondContact O-N 2.72Å; I1170-N1173 PolarHBondContact O-N 3.07Å; E1171-N1173 PolarHBondContact O-N 2.84Å; N1173-L1175 VanDerWaalsContact C-N 3.33Å; N1173-L1175 PolarHBondContact O-N 3.23Å; N1173-R1176 PolarHBondContact O-N 3.26Å; N1173-M1177 WeakPolarHBondContact O-CG 3.25Å; N1173-M1177 PolarHBondContact O-N 3.01Å; N1173-L1259 HydrophobicContact CB-CD2 4.1Å; N1173-H1260 PolarHBondContact ND2-O 2.95Å; N1173-H1260 PolarHBondContact OD1-N 2.81Å
1174A91.7Very high89.5Confident42 Ų4229 Ų2935%0.34716%0.164SC..Hα-helixtrans-60.9-43.6174.100000111.3I1170 E1171 M1177 A1178I1170-A1174 WeakPolarHBondContact O-CB 3.36Å; I1170-A1174 PolarHBondContact O-N 2.9Å; E1171-A1174 PolarHBondContact O-N 2.87Å; A1174-M1177 PolarHBondContact O-N 3.17Å; A1174-A1178 PolarHBondContact O-N 3.01Å
1175L92.9Very high88.1Confident4 Ų431.4 Ų31.42%0.02118%0.177CC..Hα-helixtrans-66.2-43175.5-17457.2000111.8F498 L1117 E1171 I1172 N1173 M1177 A1178 I1179 C1205 L1209 L1212F498-L1175 HydrophobicContact CE1-CD1 4.37Å; L1117-L1175 HydrophobicContact CD1-CB 4.29Å; L1117-L1175 HydrophobicContact CD1-CD2 3.68Å; L1117-L1175 HydrophobicContact CD1-CG 3.98Å; L1117-L1175 HydrophobicContact CD2-CD2 3.82Å; L1117-L1175 HydrophobicContact CG-CD2 4.43Å; E1171-L1175 PolarHBondContact O-N 3.22Å; I1172-L1175 PolarHBondContact O-N 3.17Å; N1173-L1175 VanDerWaalsContact C-N 3.33Å; N1173-L1175 PolarHBondContact O-N 3.23Å; L1175-M1177 VanDerWaalsContact C-N 3.31Å; L1175-M1177 PolarHBondContact O-N 3.21Å; L1175-A1178 WeakPolarHBondContact O-CB 3.35Å; L1175-A1178 PolarHBondContact O-N 2.83Å; L1175-A1178 VanDerWaalsContact O-N 3.15Å; L1175-I1179 HydrophobicContact CG-CD1 4.28Å; L1175-I1179 VanDerWaalsContact O-CG1 3.28Å; L1175-I1179 WeakPolarHBondContact O-CG1 3.37Å; L1175-I1179 PolarHBondContact O-N 2.84Å; L1175-C1205 HydrophobicContact CD1-CB 4.33Å; L1175-C1205 WeakPolarHBondContact CD1-O 3.45Å; L1175-L1209 HydrophobicContact CD2-CB 4.25Å; L1175-L1212 HydrophobicContact CD2-CD2 4.46Å
1176R92.1Very high86.5Confident0 Ų030.7 Ų30.70%018%0.181CC..Hα-helixtrans-59.2-41.4174-72.2169.578.6104.9-7.8111.4M1116 L1117 T1119 P1120 I1172 N1173 I1179 N1180 F1257 Q1258 L1259 H1260M1116-R1176 PolarHBondContact O-NH1 3.24Å; L1117-R1176 HydrophobicContact CD1-CG 4.14Å; L1117-R1176 PolarHBondContact O-NH1 2.84Å; T1119-R1176 PolarHBondContact O-NH1 2.81Å; T1119-R1176 PolarHBondContact O-NH2 3.38Å; P1120-R1176 PolarHBondContact O-NH2 3.13Å; P1120-R1176 VanDerWaalsContact O-NH2 3.17Å; I1172-R1176 HydrophobicContact CG2-CG 4.48Å; I1172-R1176 WeakPolarHBondContact O-CG 3.39Å; I1172-R1176 PolarHBondContact O-N 2.73Å; N1173-R1176 PolarHBondContact O-N 3.26Å; R1176-I1179 PolarHBondContact O-N 3.34Å; R1176-N1180 WeakPolarHBondContact O-CB 3.23Å; R1176-N1180 PolarHBondContact O-N 3.08Å; R1176-N1180 PolarHBondContact O-ND2 3.47Å; R1176-N1180 VanDerWaalsContact O-ND2 3.15Å; R1176-F1257 HydrophobicContact CB-CB 4.09Å; R1176-F1257 HydrophobicContact CG-CB 4.07Å; R1176-F1257 HydrophobicContact CG-CG 4.43Å; R1176-Q1258 PolarHBondContact NE-O 3.09Å; R1176-Q1258 PolarHBondContact NH2-O 3.07Å; R1176-L1259 HydrophobicContact CB-CD2 4.09Å; R1176-H1260 VanDerWaalsContact CZ-CE1 3.45Å; R1176-H1260 PolarHBondContact NH1-NE2 3.4Å; R1176-H1260 PolarHBondContact NH2-CE1 3.44Å
1177M89.2Confident84.7Confident101 Ų10135 Ų3550%0.49821%0.21SC..Hα-helixtrans-63.1-41.1173.7-75.3-150.1-62.600112.8N1173 A1174 L1175 N1180 S1181 L1259N1173-M1177 WeakPolarHBondContact O-CG 3.25Å; N1173-M1177 PolarHBondContact O-N 3.01Å; A1174-M1177 PolarHBondContact O-N 3.17Å; L1175-M1177 VanDerWaalsContact C-N 3.31Å; L1175-M1177 PolarHBondContact O-N 3.21Å; M1177-N1180 PolarHBondContact O-N 3.06Å; M1177-S1181 WeakPolarHBondContact O-CB 3.41Å; M1177-S1181 PolarHBondContact O-N 3.02Å; M1177-S1181 PolarHBondContact O-OG 3.5Å; M1177-L1259 HydrophobicContact CG-CD1 3.87Å; M1177-L1259 HydrophobicContact CG-CD2 3.61Å; M1177-L1259 HydrophobicContact CG-CG 4.33Å; M1177-L1259 HydrophobicContact SD-CD1 3.96Å
1178A89.3Confident82.9Confident18 Ų1833.8 Ų33.815%0.14921%0.212CC..Hα-helixtrans-62.6-44.217600000111.5A1174 L1175 S1181 L1182A1174-A1178 PolarHBondContact O-N 3.01Å; L1175-A1178 WeakPolarHBondContact O-CB 3.35Å; L1175-A1178 PolarHBondContact O-N 2.83Å; L1175-A1178 VanDerWaalsContact O-N 3.15Å; A1178-S1181 WeakPolarHBondContact O-CB 3.4Å; A1178-S1181 PolarHBondContact O-N 2.77Å; A1178-L1182 PolarHBondContact O-N 2.98Å
1179I90.5Very high81.7Confident0 Ų034 Ų340%021%0.213CC..Hα-helixtrans-60.7-48.2175.1-62.4164.1000110.8V497 F498 L1117 L1175 R1176 S1181 L1182 L1183 L1256 F1257V497-I1179 HydrophobicContact CG1-CB 4.33Å; V497-I1179 HydrophobicContact CG1-CG1 3.94Å; V497-I1179 HydrophobicContact CG1-CG2 4.2Å; F498-I1179 HydrophobicContact CE2-CD1 4.47Å; F498-I1179 HydrophobicContact CZ-CD1 3.96Å; F498-I1179 HydrophobicContact CZ-CG1 4.28Å; L1117-I1179 HydrophobicContact CD1-CD1 4.46Å; L1175-I1179 HydrophobicContact CG-CD1 4.28Å; L1175-I1179 VanDerWaalsContact O-CG1 3.28Å; L1175-I1179 WeakPolarHBondContact O-CG1 3.37Å; L1175-I1179 PolarHBondContact O-N 2.84Å; R1176-I1179 PolarHBondContact O-N 3.34Å; I1179-S1181 VanDerWaalsContact C-N 3.27Å; I1179-S1181 PolarHBondContact O-N 2.87Å; I1179-L1182 WeakPolarHBondContact O-CB 3.06Å; I1179-L1182 PolarHBondContact O-N 2.83Å; I1179-L1182 VanDerWaalsContact O-N 3.12Å; I1179-L1183 HydrophobicContact CG2-CD1 3.88Å; I1179-L1183 HydrophobicContact CG2-CG 4.49Å; I1179-L1183 PolarHBondContact O-N 2.87Å; I1179-L1183 VanDerWaalsContact O-N 3.09Å; I1179-L1256 HydrophobicContact CG2-CD2 4.47Å; I1179-F1257 HydrophobicContact CB-CD2 4.36Å; I1179-F1257 HydrophobicContact CD1-CD2 4.31Å; I1179-F1257 HydrophobicContact CD1-CE2 4.19Å; I1179-F1257 HydrophobicContact CG2-CD2 3.88Å; I1179-F1257 HydrophobicContact CG2-CE2 3.84Å
1180N88.1Confident80.5Confident11 Ų1134 Ų346%0.05921%0.214CC..Hα-helixtrans-60.6-37.4178.2-73-30.1000111.8R1176 M1177 L1182 L1183 C1184 V1255 L1256 F1257R1176-N1180 WeakPolarHBondContact O-CB 3.23Å; R1176-N1180 PolarHBondContact O-N 3.08Å; R1176-N1180 PolarHBondContact O-ND2 3.47Å; R1176-N1180 VanDerWaalsContact O-ND2 3.15Å; M1177-N1180 PolarHBondContact O-N 3.06Å; N1180-L1182 PolarHBondContact O-N 3.36Å; N1180-L1183 PolarHBondContact O-N 2.78Å; N1180-C1184 VanDerWaalsContact O-CB 3.31Å; N1180-C1184 WeakPolarHBondContact O-CB 3.21Å; N1180-C1184 PolarHBondContact O-N 2.85Å; N1180-C1184 PolarHBondContact O-SG 2.83Å; N1180-V1255 HydrophobicContact CB-CG1 4.11Å; N1180-V1255 WeakPolarHBondContact ND2-CG1 3.42Å; N1180-V1255 WeakPolarHBondContact OD1-CG1 3.33Å; N1180-L1256 PolarHBondContact OD1-N 3.28Å; N1180-F1257 PolarHBondContact ND2-O 3.16Å; N1180-F1257 PolarHBondContact OD1-N 2.83Å
1181S85.3Confident79.6Confident60 Ų6033.5 Ų33.542%0.4221%0.211SC..Hα-helixtrans-61.3-29.1178-60.40000112.7M1177 A1178 I1179M1177-S1181 WeakPolarHBondContact O-CB 3.41Å; M1177-S1181 PolarHBondContact O-N 3.02Å; M1177-S1181 PolarHBondContact O-OG 3.5Å; A1178-S1181 WeakPolarHBondContact O-CB 3.4Å; A1178-S1181 PolarHBondContact O-N 2.77Å; I1179-S1181 VanDerWaalsContact C-N 3.27Å; I1179-S1181 PolarHBondContact O-N 2.87Å
1182L85.5Confident78.8Confident0 Ų037.5 Ų37.50%023%0.23CC..Hα-helixtrans-77.8-42.7172-121.6139.4000110.9H496 V497 A1178 I1179 N1180 T1190 L1201 Q1202H496-L1182 VanDerWaalsContact CD2-CD2 3.48Å; H496-L1182 WeakPolarHBondContact CD2-CD2 3.47Å; H496-L1182 WeakPolarHBondContact NE2-CD2 3.43Å; V497-L1182 HydrophobicContact CG1-CD1 4.38Å; V497-L1182 HydrophobicContact CG2-CB 4.3Å; V497-L1182 HydrophobicContact CG2-CD2 4.32Å; A1178-L1182 PolarHBondContact O-N 2.98Å; I1179-L1182 WeakPolarHBondContact O-CB 3.06Å; I1179-L1182 PolarHBondContact O-N 2.83Å; I1179-L1182 VanDerWaalsContact O-N 3.12Å; N1180-L1182 PolarHBondContact O-N 3.36Å; L1182-T1190 PolarHBondContact O-OG1 2.89Å; L1182-L1201 HydrophobicContact CD1-CB 3.75Å; L1182-L1201 HydrophobicContact CG-CB 4.46Å; L1182-Q1202 HydrophobicContact CD1-CG 4.28Å
1183L82.6Confident78.1Confident5 Ų539 Ų393%0.02624%0.238CC..Hα-helixtrans-101.31.9-165.5-58.2-177.3000116.6F474 V493 V497 I1179 N1180 L1256F474-L1183 WeakPolarHBondContact CB-O 3.1Å; F474-L1183 HydrophobicContact CD1-CB 4.44Å; F474-L1183 HydrophobicContact CD1-CD2 3.99Å; F474-L1183 HydrophobicContact CE1-CD2 3.94Å; V493-L1183 HydrophobicContact CG1-CD1 3.85Å; V493-L1183 HydrophobicContact CG1-CD2 3.46Å; V493-L1183 VanDerWaalsContact CG1-CD2 3.46Å; V493-L1183 HydrophobicContact CG1-CG 4.33Å; V497-L1183 HydrophobicContact CG2-CD1 3.81Å; V497-L1183 HydrophobicContact CG2-CD2 3.79Å; V497-L1183 HydrophobicContact CG2-CG 3.8Å; I1179-L1183 HydrophobicContact CG2-CD1 3.88Å; I1179-L1183 HydrophobicContact CG2-CG 4.49Å; I1179-L1183 PolarHBondContact O-N 2.87Å; I1179-L1183 VanDerWaalsContact O-N 3.09Å; N1180-L1183 PolarHBondContact O-N 2.78Å; L1183-L1256 HydrophobicContact CD1-CD2 3.54Å
1184C72.4Confident77.7Confident30 Ų3041.9 Ų41.920%0.20326%0.256CS..  trans-79.2155.1-177.5-78.10000114.5N1180 S1189N1180-C1184 VanDerWaalsContact O-CB 3.31Å; N1180-C1184 WeakPolarHBondContact O-CB 3.21Å; N1180-C1184 PolarHBondContact O-N 2.85Å; N1180-C1184 PolarHBondContact O-SG 2.83Å; C1184-S1189 WeakPolarHBondContact O-CA 3.25Å; C1184-S1189 WeakPolarHBondContact O-CB 3.08Å
1185N61.7Low77.4Confident51 Ų5143.7 Ų43.727%0.27326%0.264SS..SBendtrans-84.9111.6174.4-67.7-20.5000110.4F474 R477F474-N1185 VanDerWaalsContact CB-OD1 3.32Å; F474-N1185 WeakPolarHBondContact CB-OD1 3.39Å; F474-N1185 PolarHBondContact N-OD1 2.94Å; R477-N1185 PolarHBondContact NH1-ND2 3.18Å; R477-N1185 PolarHBondContact NH2-ND2 2.84Å; R477-N1185 PolarHBondContact NH2-OD1 3Å
1186G59.2Low77Confident33 Ų3350 Ų5034%0.3429%0.294SS..SBendtrans169.2-174.6178.200000113.5S1188 S1189G1186-S1188 PolarHBondContact O-N 3.15Å; G1186-S1188 VanDerWaalsContact O-N 3.08Å; G1186-S1189 WeakPolarHBondContact O-CB 3.19Å; G1186-S1189 PolarHBondContact O-N 3.22Å; G1186-S1189 PolarHBondContact O-OG 3.12Å; G1186-S1189 VanDerWaalsContact O-OG 3.07Å
1187P51.6Low76.8Confident122 Ų12254.9 Ų54.979%0.79231%0.312SS*.THydrogen-bonded Turntrans-59-19.2173.623.5-31.9000112.8
1188S53.6Low76.7Confident78 Ų7850.5 Ų50.555%0.54529%0.29SS..THydrogen-bonded Turntrans-904.3174.3-39.10000114.3G1186G1186-S1188 PolarHBondContact O-N 3.15Å; G1186-S1188 VanDerWaalsContact O-N 3.08Å
1189S65.1Low76.6Confident7 Ų751.7 Ų51.75%0.04930%0.297CS..SBendtrans-66.8151.6-177.170.20000112.3C1184 G1186 L1191 H1192 L1193C1184-S1189 WeakPolarHBondContact O-CA 3.25Å; C1184-S1189 WeakPolarHBondContact O-CB 3.08Å; G1186-S1189 WeakPolarHBondContact O-CB 3.19Å; G1186-S1189 PolarHBondContact O-N 3.22Å; G1186-S1189 PolarHBondContact O-OG 3.12Å; G1186-S1189 VanDerWaalsContact O-OG 3.07Å; S1189-L1191 PolarHBondContact O-N 3.3Å; S1189-H1192 PolarHBondContact O-N 2.61Å; S1189-H1192 PolarHBondContact OG-CD2 3.22Å; S1189-L1193 PolarHBondContact O-N 3.47Å
1190T68.1Low76.5Confident1 Ų156.6 Ų56.61%0.00632%0.32CS..G310 helixtrans-47.1-33.4176.9-64.70000113.1N599 L1182 H1192 L1193 I1198N599-T1190 HydrophobicContact CB-CG2 4.26Å; N599-T1190 WeakPolarHBondContact CB-O 3.21Å; N599-T1190 PolarHBondContact ND2-O 3.42Å; L1182-T1190 PolarHBondContact O-OG1 2.89Å; T1190-H1192 PolarHBondContact O-N 3.07Å; T1190-L1193 PolarHBondContact O-N 3.19Å; T1190-I1198 HydrophobicContact CG2-CD1 4.15Å
1191L72.3Confident76.6Confident73 Ų7356.6 Ų56.638%0.38232%0.32SS..G310 helixtrans-60.2-24.2178.1-69.6168000114.5F474 F598 S1189F474-L1191 HydrophobicContact CE2-CD1 4.34Å; F474-L1191 HydrophobicContact CE2-CG 4.23Å; F598-L1191 HydrophobicContact CB-CD2 4.43Å; F598-L1191 HydrophobicContact CD1-CD2 4.45Å; S1189-L1191 PolarHBondContact O-N 3.3Å
1192H75.5Confident76.9Confident136 Ų13654.4 Ų54.463%0.6330%0.303SS*.G310 helixtrans-113.3-3.9-175.1-60-53.4000113.6S1189 T1190S1189-H1192 PolarHBondContact O-N 2.61Å; S1189-H1192 PolarHBondContact OG-CD2 3.22Å; T1190-H1192 PolarHBondContact O-N 3.07Å
1193L81Confident77.1Confident32 Ų3257.7 Ų57.717%0.16832%0.321CS..SBendtrans-81144.6-179.8-65177.5000111.6N599 S1189 T1190 R1197 I1198 L1201N599-L1193 PolarHBondContact ND2-O 3.01Å; S1189-L1193 PolarHBondContact O-N 3.47Å; T1190-L1193 PolarHBondContact O-N 3.19Å; L1193-R1197 HydrophobicContact CD2-CG 4.1Å; L1193-I1198 HydrophobicContact CB-CD1 4.12Å; L1193-I1198 HydrophobicContact CB-CG1 3.77Å; L1193-I1198 HydrophobicContact CD1-CG1 4.29Å; L1193-L1201 HydrophobicContact CD1-CD1 3.95Å
1194T84.2Confident77.4Confident76 Ų7661 Ų6147%0.46634%0.338SS..  trans-72.1152.717176.60000110.5E1196 R1197 I1198T1194-E1196 WeakPolarHBondContact CB-OE2 3.09Å; T1194-E1196 PolarHBondContact O-N 3.02Å; T1194-E1196 PolarHBondContact OG1-OE2 3.16Å; T1194-R1197 PolarHBondContact O-N 2.9Å; T1194-R1197 VanDerWaalsContact O-N 3.1Å; T1194-R1197 PolarHBondContact OG1-N 3.32Å; T1194-I1198 PolarHBondContact O-N 3.44Å
1195P84.6Confident78.4Confident80 Ų8059.6 Ų59.652%0.51933%0.329SS..Hα-helixtrans-54.6-36.8177.4-2736000113.5R1197 I1198 C1199P1195-R1197 PolarHBondContact O-N 3.2Å; P1195-I1198 PolarHBondContact O-N 2.87Å; P1195-C1199 PolarHBondContact O-N 3.12Å; P1195-C1199 PolarHBondContact O-SG 3.04Å; P1195-C1199 VanDerWaalsContact O-SG 3.34Å
1196E85.5Confident79.8Confident137 Ų13758.8 Ų58.864%0.6432%0.322SS*.Hα-helixtrans-65-41.5178.6-55.278.3-165.600111.6T1194 I1198 C1199 Q1200T1194-E1196 WeakPolarHBondContact CB-OE2 3.09Å; T1194-E1196 PolarHBondContact O-N 3.02Å; T1194-E1196 PolarHBondContact OG1-OE2 3.16Å; E1196-I1198 VanDerWaalsContact C-N 3.34Å; E1196-C1199 PolarHBondContact O-N 3.36Å; E1196-Q1200 PolarHBondContact O-N 3.13Å
1197R87.4Confident81.3Confident101 Ų10160.4 Ų60.438%0.38132%0.323SS..Hα-helixtrans-68.4-36.3178.2-175.556.2177.5156.56.5111.6L1193 T1194 P1195 Q1200 L1201L1193-R1197 HydrophobicContact CD2-CG 4.1Å; T1194-R1197 PolarHBondContact O-N 2.9Å; T1194-R1197 VanDerWaalsContact O-N 3.1Å; T1194-R1197 PolarHBondContact OG1-N 3.32Å; P1195-R1197 PolarHBondContact O-N 3.2Å; R1197-Q1200 VanDerWaalsContact NH1-CD 3.27Å; R1197-Q1200 PolarHBondContact O-N 3.42Å; R1197-L1201 HydrophobicContact CG-CD1 4.36Å; R1197-L1201 WeakPolarHBondContact O-CG 3.24Å; R1197-L1201 PolarHBondContact O-N 3.4Å
1198I87.2Confident83.1Confident10 Ų1054.7 Ų54.75%0.05129%0.286CS..Hα-helixtrans-62.4-50.1173.6-69.2170.2000110N599 T1190 L1193 T1194 P1195 E1196 Q1200 L1201 Q1202N599-I1198 VanDerWaalsContact ND2-CD1 3.33Å; N599-I1198 WeakPolarHBondContact ND2-CD1 3.32Å; T1190-I1198 HydrophobicContact CG2-CD1 4.15Å; L1193-I1198 HydrophobicContact CB-CD1 4.12Å; L1193-I1198 HydrophobicContact CB-CG1 3.77Å; L1193-I1198 HydrophobicContact CD1-CG1 4.29Å; T1194-I1198 PolarHBondContact O-N 3.44Å; P1195-I1198 PolarHBondContact O-N 2.87Å; E1196-I1198 VanDerWaalsContact C-N 3.34Å; I1198-Q1200 VanDerWaalsContact C-N 3.29Å; I1198-Q1200 PolarHBondContact O-N 3.26Å; I1198-L1201 PolarHBondContact O-N 2.9Å; I1198-Q1202 HydrophobicContact CG2-CG 4.22Å; I1198-Q1202 WeakPolarHBondContact O-CB 3.39Å; I1198-Q1202 VanDerWaalsContact O-CG 3.26Å; I1198-Q1202 WeakPolarHBondContact O-CG 3.45Å; I1198-Q1202 PolarHBondContact O-N 2.89Å
1199C87.2Confident85Confident43 Ų4351 Ų5129%0.29126%0.26SS..Hα-helixtrans-56.1-45177.5-71.70000111.7P1195 E1196 Q1202 D1203P1195-C1199 PolarHBondContact O-N 3.12Å; P1195-C1199 PolarHBondContact O-SG 3.04Å; P1195-C1199 VanDerWaalsContact O-SG 3.34Å; E1196-C1199 PolarHBondContact O-N 3.36Å; C1199-Q1202 PolarHBondContact O-N 2.84Å; C1199-D1203 PolarHBondContact O-N 2.82Å
1200Q89.3Confident86.1Confident102 Ų10251.9 Ų51.948%0.47727%0.266SS..Hα-helixtrans-60.3-47.4177.2-172-177.51700112.4E1196 R1197 I1198 Q1202 D1203 D1204E1196-Q1200 PolarHBondContact O-N 3.13Å; R1197-Q1200 VanDerWaalsContact NH1-CD 3.27Å; R1197-Q1200 PolarHBondContact O-N 3.42Å; I1198-Q1200 VanDerWaalsContact C-N 3.29Å; I1198-Q1200 PolarHBondContact O-N 3.26Å; Q1200-Q1202 VanDerWaalsContact C-N 3.31Å; Q1200-Q1202 PolarHBondContact O-N 2.69Å; Q1200-D1203 WeakPolarHBondContact O-CB 3.3Å; Q1200-D1203 PolarHBondContact O-N 2.91Å; Q1200-D1204 VanDerWaalsContact O-CG 3.23Å; Q1200-D1204 PolarHBondContact O-N 3.12Å
1201L89Confident87.2Confident12 Ų1258.5 Ų58.56%0.06329%0.29CS..Hα-helixtrans-66.1-34.1178.5-72.1172.3000112.5L1182 L1193 R1197 I1198 D1204 C1205L1182-L1201 HydrophobicContact CD1-CB 3.75Å; L1182-L1201 HydrophobicContact CG-CB 4.46Å; L1193-L1201 HydrophobicContact CD1-CD1 3.95Å; R1197-L1201 HydrophobicContact CG-CD1 4.36Å; R1197-L1201 WeakPolarHBondContact O-CG 3.24Å; R1197-L1201 PolarHBondContact O-N 3.4Å; I1198-L1201 PolarHBondContact O-N 2.9Å; L1201-D1204 PolarHBondContact O-N 3.2Å; L1201-C1205 PolarHBondContact O-N 2.57Å; L1201-C1205 PolarHBondContact O-SG 2.88Å
1202Q91.6Very high88.1Confident14 Ų1455.1 Ų55.17%0.06527%0.273CS..Hα-helixtrans-66.6-41.5173.3-70.2174.2-14.400111.3H496 L1182 I1198 C1199 Q1200 C1205 R1206H496-Q1202 PolarHBondContact CE1-NE2 3.44Å; H496-Q1202 WeakPolarHBondContact O-CG 3.46Å; H496-Q1202 PolarHBondContact O-NE2 3.22Å; L1182-Q1202 HydrophobicContact CD1-CG 4.28Å; I1198-Q1202 HydrophobicContact CG2-CG 4.22Å; I1198-Q1202 WeakPolarHBondContact O-CB 3.39Å; I1198-Q1202 VanDerWaalsContact O-CG 3.26Å; I1198-Q1202 WeakPolarHBondContact O-CG 3.45Å; I1198-Q1202 PolarHBondContact O-N 2.89Å; C1199-Q1202 PolarHBondContact O-N 2.84Å; Q1200-Q1202 VanDerWaalsContact C-N 3.31Å; Q1200-Q1202 PolarHBondContact O-N 2.69Å; Q1202-C1205 PolarHBondContact O-N 2.8Å; Q1202-R1206 WeakPolarHBondContact O-CG 3.18Å; Q1202-R1206 PolarHBondContact O-N 2.95Å
1203D89.8Confident88.8Confident69 Ų6948.8 Ų48.837%0.36924%0.243SC..Hα-helixtrans-60.6-45.8172.1-81.1-42.3000111.1C1199 Q1200 C1205 R1206 D1207C1199-D1203 PolarHBondContact O-N 2.82Å; Q1200-D1203 WeakPolarHBondContact O-CB 3.3Å; Q1200-D1203 PolarHBondContact O-N 2.91Å; D1203-C1205 VanDerWaalsContact C-N 3.29Å; D1203-C1205 PolarHBondContact O-N 2.75Å; D1203-R1206 PolarHBondContact O-N 3.36Å; D1203-R1206 VanDerWaalsContact O-N 3.16Å; D1203-R1206 IonicContact OD1-CZ 3.81Å; D1203-R1206 IonicContact OD1-NE 3.51Å; D1203-R1206 PolarHBondContact OD1-NE 2.63Å; D1203-R1206 IonicContact OD1-NH2 3.54Å; D1203-R1206 PolarHBondContact OD1-NH2 3.43Å; D1203-R1206 IonicContact OD2-NH2 2.83Å; D1203-D1207 WeakPolarHBondContact O-CB 3.5Å; D1203-D1207 PolarHBondContact O-N 2.9Å
1204D89.9Confident89.1Confident74 Ų7449 Ų4940%0.39624%0.244SC..Hα-helixtrans-56.9-42.7176.2-67.5-24.5000111.4Q1200 L1201 G1208Q1200-D1204 VanDerWaalsContact O-CG 3.23Å; Q1200-D1204 PolarHBondContact O-N 3.12Å; L1201-D1204 PolarHBondContact O-N 3.2Å; D1204-G1208 PolarHBondContact O-N 3.06Å
1205C92.2Very high89.1Confident0 Ų049 Ų490%024%0.236CC..Hα-helixtrans-66.3-45.4176.2-68.60000112.2V497 F498 L1175 L1201 Q1202 D1203 D1207 L1209V497-C1205 HydrophobicContact CG1-CB 4.34Å; F498-C1205 HydrophobicContact CD1-CB 4.18Å; F498-C1205 HydrophobicContact CE1-CB 4.23Å; L1175-C1205 HydrophobicContact CD1-CB 4.33Å; L1175-C1205 WeakPolarHBondContact CD1-O 3.45Å; L1201-C1205 PolarHBondContact O-N 2.57Å; L1201-C1205 PolarHBondContact O-SG 2.88Å; Q1202-C1205 PolarHBondContact O-N 2.8Å; D1203-C1205 VanDerWaalsContact C-N 3.29Å; D1203-C1205 PolarHBondContact O-N 2.75Å; C1205-D1207 VanDerWaalsContact C-N 3.34Å; C1205-D1207 PolarHBondContact O-N 2.97Å; C1205-L1209 WeakPolarHBondContact O-CB 3.42Å; C1205-L1209 PolarHBondContact O-N 2.8Å
1206R91.6Very high88.9Confident34 Ų3450.6 Ų50.613%0.12825%0.249CC..Hα-helixtrans-62.7-42178.1-74.6-170.7-73-90.26.7111.4F498 R616 I620 Q1202 D1203 T1210F498-R1206 WeakPolarHBondContact O-CD 3.42Å; F498-R1206 WeakPolarHBondContact O-CG 3.4Å; F498-R1206 PolarHBondContact O-NH1 3.34Å; R616-R1206 PolarHBondContact NH2-O 2.65Å; I620-R1206 HydrophobicContact CD1-CB 4.35Å; I620-R1206 HydrophobicContact CD1-CG 3.98Å; Q1202-R1206 WeakPolarHBondContact O-CG 3.18Å; Q1202-R1206 PolarHBondContact O-N 2.95Å; D1203-R1206 PolarHBondContact O-N 3.36Å; D1203-R1206 VanDerWaalsContact O-N 3.16Å; D1203-R1206 IonicContact OD1-CZ 3.81Å; D1203-R1206 IonicContact OD1-NE 3.51Å; D1203-R1206 PolarHBondContact OD1-NE 2.63Å; D1203-R1206 IonicContact OD1-NH2 3.54Å; D1203-R1206 PolarHBondContact OD1-NH2 3.43Å; D1203-R1206 IonicContact OD2-NH2 2.83Å; R1206-T1210 PolarHBondContact O-N 2.79Å; R1206-T1210 PolarHBondContact O-OG1 2.82Å
1207D90.3Very high88.5Confident67 Ų6748.8 Ų48.836%0.35825%0.249SC..Hα-helixtrans-74.1-38.4-178.3-72-6.3000111.3R616 D1203 C1205 L1209 T1210 R1211R616-D1207 IonicContact CZ-OD1 3.29Å; R616-D1207 IonicContact NH1-OD1 3.93Å; R616-D1207 IonicContact NH2-OD1 3.51Å; R616-D1207 PolarHBondContact NH2-OD1 3.39Å; D1203-D1207 WeakPolarHBondContact O-CB 3.5Å; D1203-D1207 PolarHBondContact O-N 2.9Å; C1205-D1207 VanDerWaalsContact C-N 3.34Å; C1205-D1207 PolarHBondContact O-N 2.97Å; D1207-L1209 VanDerWaalsContact C-N 3.33Å; D1207-L1209 PolarHBondContact O-N 2.93Å; D1207-T1210 PolarHBondContact O-N 2.88Å; D1207-R1211 WeakPolarHBondContact O-CG 3.18Å; D1207-R1211 PolarHBondContact O-N 3.49Å
1208G90.9Very high88.3Confident2 Ų247.8 Ų47.82%0.02126%0.256CS..Hα-helixtrans-58.8-43.6170.200000112.6D1204 R1211 L1212D1204-G1208 PolarHBondContact O-N 3.06Å; G1208-R1211 VanDerWaalsContact CA-NH2 3.3Å; G1208-R1211 PolarHBondContact O-N 3.19Å; G1208-L1212 WeakPolarHBondContact O-CB 3.31Å; G1208-L1212 PolarHBondContact O-N 2.93Å
1209L92.1Very high88.3Confident0 Ų049.2 Ų49.20%026%0.26CS..Hα-helixtrans-62.6-46.7174.4-170.2149.1000111.1F498 F619 I620 I623 L1175 C1205 D1207 R1211 L1212 F1213F498-L1209 HydrophobicContact CD1-CD1 3.9Å; F498-L1209 HydrophobicContact CE1-CB 4.32Å; F498-L1209 HydrophobicContact CE1-CD1 3.49Å; F498-L1209 VanDerWaalsContact CE1-CD1 3.49Å; F498-L1209 HydrophobicContact CZ-CD1 4.09Å; F619-L1209 HydrophobicContact CD1-CD2 3.91Å; F619-L1209 HydrophobicContact CE1-CD2 3.51Å; I620-L1209 HydrophobicContact CG1-CD2 4.18Å; I623-L1209 HydrophobicContact CB-CD1 4.21Å; I623-L1209 HydrophobicContact CG2-CD1 3.81Å; L1175-L1209 HydrophobicContact CD2-CB 4.25Å; C1205-L1209 WeakPolarHBondContact O-CB 3.42Å; C1205-L1209 PolarHBondContact O-N 2.8Å; D1207-L1209 VanDerWaalsContact C-N 3.33Å; D1207-L1209 PolarHBondContact O-N 2.93Å; L1209-R1211 PolarHBondContact O-N 3.37Å; L1209-L1212 PolarHBondContact O-N 3.29Å; L1209-F1213 HydrophobicContact CD2-CD2 4.09Å; L1209-F1213 HydrophobicContact CD2-CE2 4.35Å; L1209-F1213 HydrophobicContact CG-CD2 4.15Å; L1209-F1213 HydrophobicContact CG-CE2 4.12Å; L1209-F1213 VanDerWaalsContact O-CD2 3.31Å; L1209-F1213 WeakPolarHBondContact O-CD2 3.36Å; L1209-F1213 PolarHBondContact O-N 2.83Å
1210T89.3Confident88.4Confident27 Ų2752.7 Ų52.717%0.16627%0.272CS..Hα-helixtrans-57.2-46.6175.1-58.70000111.8R616 R1206 D1207 L1212 F1213 I1214R616-T1210 PolarHBondContact NE-OG1 2.85Å; R616-T1210 PolarHBondContact NH2-OG1 2.89Å; R1206-T1210 PolarHBondContact O-N 2.79Å; R1206-T1210 PolarHBondContact O-OG1 2.82Å; D1207-T1210 PolarHBondContact O-N 2.88Å; T1210-L1212 PolarHBondContact O-N 2.92Å; T1210-F1213 PolarHBondContact O-N 3.34Å; T1210-I1214 HydrophobicContact CG2-CD1 3.47Å; T1210-I1214 VanDerWaalsContact CG2-CD1 3.47Å; T1210-I1214 HydrophobicContact CG2-CG1 4.22Å; T1210-I1214 VanDerWaalsContact O-CB 3.3Å; T1210-I1214 WeakPolarHBondContact O-CB 3.42Å; T1210-I1214 WeakPolarHBondContact O-CG1 3.17Å; T1210-I1214 PolarHBondContact O-N 2.91Å
1211R90.1Very high88.2Confident139 Ų13951.5 Ų51.553%0.52528%0.28SS..Hα-helixtrans-62.2-40.5179.4-74.2-170-53.6-91.81.7112.6E1171 D1207 G1208 L1209 F1213 I1214E1171-R1211 IonicContact OE1-CZ 3.63Å; E1171-R1211 IonicContact OE1-NE 3.52Å; E1171-R1211 PolarHBondContact OE1-NE 2.63Å; E1171-R1211 IonicContact OE1-NH2 2.61Å; E1171-R1211 PolarHBondContact OE1-NH2 3.06Å; E1171-R1211 VanDerWaalsContact OE1-NH2 3.1Å; D1207-R1211 WeakPolarHBondContact O-CG 3.18Å; D1207-R1211 PolarHBondContact O-N 3.49Å; G1208-R1211 VanDerWaalsContact CA-NH2 3.3Å; G1208-R1211 PolarHBondContact O-N 3.19Å; L1209-R1211 PolarHBondContact O-N 3.37Å; R1211-F1213 PolarHBondContact O-N 3.1Å; R1211-I1214 CarbonylContact O-C 3.59Å
1212L91.5Very high88.2Confident3 Ų352.4 Ų52.42%0.01629%0.286CS..Hα-helixtrans-62.9-42.6-179.6-177.763.7000112.1L1113 E1171 I1172 L1175 G1208 L1209 T1210 R1219L1113-L1212 HydrophobicContact CD2-CD1 3.86Å; L1113-L1212 HydrophobicContact CD2-CD2 4.29Å; L1113-L1212 HydrophobicContact CD2-CG 4Å; E1171-L1212 HydrophobicContact CB-CD1 4.1Å; E1171-L1212 HydrophobicContact CG-CB 4.3Å; E1171-L1212 HydrophobicContact CG-CD1 4.13Å; I1172-L1212 HydrophobicContact CG1-CD1 3.94Å; I1172-L1212 HydrophobicContact CG1-CD2 3.95Å; L1175-L1212 HydrophobicContact CD2-CD2 4.46Å; G1208-L1212 WeakPolarHBondContact O-CB 3.31Å; G1208-L1212 PolarHBondContact O-N 2.93Å; L1209-L1212 PolarHBondContact O-N 3.29Å; T1210-L1212 PolarHBondContact O-N 2.92Å; L1212-R1219 PolarHBondContact O-NH1 3.28Å; L1212-R1219 VanDerWaalsContact O-NH1 3.14Å; L1212-R1219 PolarHBondContact O-NH2 2.86Å
1213F90.9Very high87.9Confident3 Ų355.6 Ų55.61%0.01332%0.315CS..Hα-helixtrans-87.8-26.1-177.9-72.2-85.3000113.7F619 I623 I907 L1110 L1113 V1114 L1209 T1210 R1211F619-F1213 HydrophobicContact CE1-CB 4.27Å; F619-F1213 AromaticContact CE1-CD2 3.97Å; F619-F1213 HydrophobicContact CE1-CD2 3.97Å; F619-F1213 HydrophobicContact CE1-CG 4.07Å; F619-F1213 HydrophobicContact CZ-CB 4.16Å; F619-F1213 AromaticContact CZ-CD1 3.9Å; F619-F1213 HydrophobicContact CZ-CD1 3.9Å; F619-F1213 AromaticContact CZ-CD2 3.93Å; F619-F1213 HydrophobicContact CZ-CD2 3.93Å; F619-F1213 HydrophobicContact CZ-CE1 4.28Å; F619-F1213 HydrophobicContact CZ-CE2 4.31Å; F619-F1213 AromaticContact CZ-CG 3.73Å; F619-F1213 HydrophobicContact CZ-CG 3.73Å; F619-F1213 HydrophobicContact CZ-CZ 4.48Å; I623-F1213 HydrophobicContact CD1-CE1 4.47Å; I623-F1213 HydrophobicContact CD1-CE2 4.39Å; I623-F1213 HydrophobicContact CD1-CZ 3.98Å; I907-F1213 HydrophobicContact CD1-CB 3.64Å; L1110-F1213 HydrophobicContact CB-CE1 4.36Å; L1110-F1213 HydrophobicContact CD1-CE1 4.24Å; L1110-F1213 HydrophobicContact CG-CE1 3.96Å; L1113-F1213 HydrophobicContact CB-CE1 3.74Å; L1113-F1213 HydrophobicContact CB-CZ 3.86Å; L1113-F1213 HydrophobicContact CD1-CD1 3.59Å; L1113-F1213 HydrophobicContact CD1-CE1 3.58Å; L1113-F1213 HydrophobicContact CD1-CG 4.28Å; L1113-F1213 HydrophobicContact CD1-CZ 4.27Å; L1113-F1213 HydrophobicContact CG-CE1 4.33Å; V1114-F1213 HydrophobicContact CG2-CE1 4.46Å; V1114-F1213 HydrophobicContact CG2-CZ 4.04Å; L1209-F1213 HydrophobicContact CD2-CD2 4.09Å; L1209-F1213 HydrophobicContact CD2-CE2 4.35Å; L1209-F1213 HydrophobicContact CG-CD2 4.15Å; L1209-F1213 HydrophobicContact CG-CE2 4.12Å; L1209-F1213 VanDerWaalsContact O-CD2 3.31Å; L1209-F1213 WeakPolarHBondContact O-CD2 3.36Å; L1209-F1213 PolarHBondContact O-N 2.83Å; T1210-F1213 PolarHBondContact O-N 3.34Å; R1211-F1213 PolarHBondContact O-N 3.1Å
1214I87.7Confident87.7Confident37 Ų3754.9 Ų54.919%0.1931%0.314CS..SBendtrans-102.559.5176.5-50.5177.8000109.7Q904 I907 T1210 R1211Q904-I1214 HydrophobicContact CB-CD1 4.27Å; Q904-I1214 HydrophobicContact CB-CG1 4.45Å; Q904-I1214 HydrophobicContact CB-CG2 3.66Å; Q904-I1214 HydrophobicContact CG-CD1 4.21Å; Q904-I1214 HydrophobicContact CG-CG2 4.04Å; I907-I1214 HydrophobicContact CB-CD1 4.38Å; I907-I1214 HydrophobicContact CD1-CD1 4.18Å; I907-I1214 HydrophobicContact CD1-CG1 3.66Å; I907-I1214 HydrophobicContact CG2-CD1 4.35Å; T1210-I1214 HydrophobicContact CG2-CD1 3.47Å; T1210-I1214 VanDerWaalsContact CG2-CD1 3.47Å; T1210-I1214 HydrophobicContact CG2-CG1 4.22Å; T1210-I1214 VanDerWaalsContact O-CB 3.3Å; T1210-I1214 WeakPolarHBondContact O-CB 3.42Å; T1210-I1214 WeakPolarHBondContact O-CG1 3.17Å; T1210-I1214 PolarHBondContact O-N 2.91Å; R1211-I1214 CarbonylContact O-C 3.59Å
1215R84.3Confident87.3Confident76 Ų7654.6 Ų54.629%0.28731%0.314SS..  trans-72.8134.6176.8-170.2175.7172.4164-2.3110D1165 D1168 P1217D1165-R1215 IonicContact OD1-CZ 3.31Å; D1165-R1215 IonicContact OD1-NH1 3.85Å; D1165-R1215 PolarHBondContact OD1-NH1 2.91Å; D1165-R1215 IonicContact OD1-NH2 2.77Å; D1165-R1215 IonicContact OD2-CZ 3.1Å; D1165-R1215 IonicContact OD2-NH1 3.03Å; D1165-R1215 PolarHBondContact OD2-NH1 2.97Å; D1165-R1215 IonicContact OD2-NH2 2.66Å; D1165-R1215 PolarHBondContact OD2-NH2 3.47Å; D1168-R1215 IonicContact OD1-CZ 3.94Å; D1168-R1215 IonicContact OD1-NH1 3.45Å; D1168-R1215 PolarHBondContact OD1-NH1 3.37Å; D1168-R1215 IonicContact OD2-NH1 3.67Å; D1168-R1215 PolarHBondContact OD2-NH1 2.64Å; R1215-P1217 CarbonylContact C-O 3.52Å; R1215-P1217 CarbonylContact O-C 3.55Å
1216S78.6Confident86.6Confident112 Ų11261 Ų6178%0.78335%0.349SS*.SBendtrans-124.5121.7173.2-173.10000110
1217P78.8Confident85.8Confident100 Ų10061.8 Ų61.865%0.64935%0.354SS*.SBendcis-66.2159-2.429.7-35.9000112.8R1215R1215-P1217 CarbonylContact C-O 3.52Å; R1215-P1217 CarbonylContact O-C 3.55Å
1218P81.3Confident84.8Confident80 Ų8067.8 Ų67.852%0.51938%0.38SS..PPolyproline II helixtrans-57.1153.7175.2-23.333.3000112.6
1219R88.3Confident84.1Confident40 Ų4071.4 Ų71.415%0.15140%0.398CS..PPolyproline II helixtrans-68.5139.2176.5-62.3-177.5-178.582.41.3110.4V1162 D1168 L1212V1162-R1219 HydrophobicContact CB-CB 3.93Å; V1162-R1219 HydrophobicContact CG1-CB 4.35Å; V1162-R1219 HydrophobicContact CG2-CB 4.19Å; D1168-R1219 IonicContact OD1-CZ 3.13Å; D1168-R1219 VanDerWaalsContact OD1-CZ 3.27Å; D1168-R1219 IonicContact OD1-NE 3.56Å; D1168-R1219 PolarHBondContact OD1-NE 3.41Å; D1168-R1219 IonicContact OD1-NH2 2.67Å; D1168-R1219 PolarHBondContact OD1-NH2 3.21Å; D1168-R1219 IonicContact OD2-NE 2.86Å; L1212-R1219 PolarHBondContact O-NH1 3.28Å; L1212-R1219 VanDerWaalsContact O-NH1 3.14Å; L1212-R1219 PolarHBondContact O-NH2 2.86Å
1220E88.4Confident83.6Confident116 Ų11675.6 Ų75.654%0.54242%0.415SS..PPolyproline II helixtrans-72.7128.9177.9-168.4-173154.400110.2V1162 K1163V1162-E1220 CarbonylContact C-O 3.48Å; V1162-E1220 VanDerWaalsContact CA-O 3.23Å; V1162-E1220 WeakPolarHBondContact CA-O 3.33Å; K1163-E1220 HydrophobicContact CD-CB 4.23Å; K1163-E1220 WeakPolarHBondContact CD-OE2 3.34Å; K1163-E1220 VanDerWaalsContact CE-CD 3.48Å; K1163-E1220 WeakPolarHBondContact CE-OE1 3.18Å; K1163-E1220 WeakPolarHBondContact CE-OE2 3.14Å; K1163-E1220 HydrophobicContact CG-CB 4.34Å; K1163-E1220 PolarHBondContact N-O 3.07Å; K1163-E1220 IonicContact NZ-OE1 3.31Å; K1163-E1220 PolarHBondContact NZ-OE1 3.41Å; K1163-E1220 IonicContact NZ-OE2 3.36Å; K1163-E1220 PolarHBondContact NZ-OE2 3.26Å
1221A86.6Confident83.1Confident77 Ų7774.4 Ų74.464%0.63641%0.408SS*.BIsolated β-bridgetrans-72.5140.6177.600000111.4D1161D1161-A1221 WeakPolarHBondContact O-CA 3.28Å
1222V88.6Confident82.8Confident31 Ų3173.5 Ų73.519%0.18841%0.408CS..  trans-139.1152.7176.6-69.60000110.6D1161 K1163D1161-V1222 CarbonylContact C-O 3.53Å; D1161-V1222 WeakPolarHBondContact CA-O 3.49Å; D1161-V1222 PolarHBondContact O-N 3.17Å; D1161-V1222 VanDerWaalsContact O-O 3.04Å; K1163-V1222 HydrophobicContact CD-CG1 4.16Å; K1163-V1222 VanDerWaalsContact CE-CG1 3.49Å; K1163-V1222 HydrophobicContact CG-CG1 3.54Å; K1163-V1222 HydrophobicContact CG-CG2 4.43Å
1223A84.8Confident82.7Confident81 Ų8174.4 Ų74.467%0.66941%0.412SS*.  trans-68.5130.3171.800000109.7T1225A1223-T1225 PolarHBondContact O-N 3Å
1224P85.7Confident82.4Confident54 Ų5476.9 Ų76.935%0.35143%0.425SS..  trans-57130.9174.8-25.134.1000111.3A1159 D1161A1159-P1224 HydrophobicContact CB-CB 3.86Å; D1161-P1224 HydrophobicContact CB-CG 4.1Å
1225T82.2Confident82.2Confident67 Ų6778.4 Ų78.441%0.41143%0.431SS..  trans-116122.9-179.843.30000110.2A1159 A1223A1159-T1225 WeakPolarHBondContact CB-O 3.37Å; A1223-T1225 PolarHBondContact O-N 3Å
1226N77.3Confident82.1Confident135 Ų13575.8 Ų75.872%0.72242%0.423SS*.  trans-79.4135.7176.1-68.5-33000110
1227H74.2Confident82.1Confident50 Ų5074.7 Ų74.723%0.23141%0.409CS..  trans-80146176.1-83.2-93.7000111.4R1125 T1126 T1134 N1229 Y1230R1125-H1227 WeakPolarHBondContact CB-NE2 3.48Å; T1126-H1227 PolarHBondContact O-CE1 3.36Å; T1134-H1227 PolarHBondContact OG1-NE2 3Å; H1227-N1229 VanDerWaalsContact C-N 3.29Å; H1227-N1229 PolarHBondContact O-N 3Å; H1227-Y1230 PolarHBondContact O-N 2.99Å
1228E69.6Low82.1Confident194 Ų19474.3 Ų74.391%0.90741%0.406SS*.THydrogen-bonded Turntrans-58.2-39.3-175.7-65-171.5159.300112.9Y1230E1228-Y1230 PolarHBondContact O-N 3.47Å
1229N76.2Confident82Confident77 Ų7774.9 Ų74.941%0.41241%0.412SS..THydrogen-bonded Turntrans-99.656-179.2-77.2-57.1000112.1H1227 G1231 K1232 Q1235H1227-N1229 VanDerWaalsContact C-N 3.29Å; H1227-N1229 PolarHBondContact O-N 3Å; N1229-G1231 PolarHBondContact O-N 2.96Å; N1229-G1231 VanDerWaalsContact O-N 3.16Å; N1229-K1232 HydrophobicContact CB-CD 4.42Å; N1229-K1232 PolarHBondContact O-N 3.34Å; N1229-Q1235 PolarHBondContact O-NE2 3.41Å
1230Y80.8Confident81.7Confident88 Ų8874.7 Ų74.735%0.34541%0.414SS..THydrogen-bonded Turntrans-49.5120.7-175.2-169.6-97000113.3R1051 E1157 H1227 E1228R1051-Y1230 PolarHBondContact NH2-O 3.31Å; E1157-Y1230 HydrophobicContact CB-CD2 4.46Å; E1157-Y1230 HydrophobicContact CB-CE2 3.82Å; E1157-Y1230 HydrophobicContact CG-CD2 4.44Å; E1157-Y1230 HydrophobicContact CG-CE2 4.09Å; E1157-Y1230 PolarHBondContact O-OH 3.33Å; E1157-Y1230 VanDerWaalsContact O-OH 3.11Å; E1157-Y1230 VanDerWaalsContact OE2-CA 3.29Å; E1157-Y1230 WeakPolarHBondContact OE2-CA 3.45Å; E1157-Y1230 WeakPolarHBondContact OE2-CD2 3.46Å; E1157-Y1230 WeakPolarHBondContact OE2-CE2 3.43Å; H1227-Y1230 PolarHBondContact O-N 2.99Å; E1228-Y1230 PolarHBondContact O-N 3.47Å
1231G78.8Confident81.3Confident3 Ų373.3 Ų73.33%0.03140%0.404CS..THydrogen-bonded Turntrans80.610170.800000115.9R1051 E1157 N1229R1051-G1231 VanDerWaalsContact CZ-CA 3.43Å; R1051-G1231 PolarHBondContact NH1-O 3.37Å; R1051-G1231 PolarHBondContact NH2-O 3.42Å; E1157-G1231 WeakPolarHBondContact OE2-CA 3.31Å; E1157-G1231 PolarHBondContact OE2-N 2.98Å; N1229-G1231 PolarHBondContact O-N 2.96Å; N1229-G1231 VanDerWaalsContact O-N 3.16Å
1232K85.1Confident81Confident120 Ų12073.5 Ų73.552%0.52239%0.393SS..  trans-88.4138174.7-63.2-178.3-178.4171.20110.4R1125 L1137 N1229 Q1235R1125-K1232 PolarHBondContact NH2-O 2.91Å; L1137-K1232 WeakPolarHBondContact CD2-O 3.4Å; N1229-K1232 HydrophobicContact CB-CD 4.42Å; N1229-K1232 PolarHBondContact O-N 3.34Å; K1232-Q1235 PolarHBondContact O-NE2 3.26Å
1233W88.1Confident80.1Confident22 Ų2279.8 Ų79.88%0.08343%0.425CS..SBendtrans-81.4171170.3-68.494.9000111.4E1123 L1137 F1142 D1155E1123-W1233 HydrophobicContact CB-CE3 3.72Å; E1123-W1233 HydrophobicContact CB-CZ3 3.62Å; L1137-W1233 HydrophobicContact CD1-CZ2 4.45Å; L1137-W1233 HydrophobicContact CD2-CB 4.4Å; L1137-W1233 HydrophobicContact CD2-CD2 3.46Å; L1137-W1233 VanDerWaalsContact CD2-CD2 3.46Å; L1137-W1233 HydrophobicContact CD2-CE3 3.97Å; L1137-W1233 HydrophobicContact CD2-CG 3.66Å; L1137-W1233 HydrophobicContact CD2-CZ2 4.07Å; L1137-W1233 HydrophobicContact CD2-CZ3 4.46Å; L1137-W1233 HydrophobicContact CG-CD2 4.01Å; L1137-W1233 HydrophobicContact CG-CE3 4.28Å; L1137-W1233 HydrophobicContact CG-CH2 4Å; L1137-W1233 HydrophobicContact CG-CZ2 3.7Å; L1137-W1233 HydrophobicContact CG-CZ3 4.28Å; L1137-W1233 VanDerWaalsContact O-CH2 3.3Å; L1137-W1233 WeakPolarHBondContact O-CH2 3.36Å; F1142-W1233 HydrophobicContact CB-CB 3.7Å; F1142-W1233 HydrophobicContact CB-CG 3.94Å; F1142-W1233 HydrophobicContact CD1-CB 3.48Å; F1142-W1233 VanDerWaalsContact CD1-CB 3.48Å; F1142-W1233 HydrophobicContact CD1-CD2 4.18Å; F1142-W1233 HydrophobicContact CD1-CE3 4.08Å; F1142-W1233 AromaticContact CD1-CG 3.97Å; F1142-W1233 HydrophobicContact CD1-CG 3.97Å; F1142-W1233 HydrophobicContact CE1-CB 4.27Å; F1142-W1233 HydrophobicContact CG-CB 3.77Å; F1142-W1233 HydrophobicContact CG-CG 4.35Å; D1155-W1233 PolarHBondContact OD2-NE1 3.42Å
1234D85.3Confident79.4Confident55 Ų5578.8 Ų78.829%0.29441%0.408SS..  trans64.736.8173.8-155.639.6000114E1123 F1142 K1147E1123-D1234 PolarHBondContact OE1-N 2.8Å; E1123-D1234 WeakPolarHBondContact OE2-CA 3.28Å; E1123-D1234 PolarHBondContact OE2-N 3.41Å; F1142-D1234 HydrophobicContact CD2-CB 4.3Å; F1142-D1234 HydrophobicContact CE1-CB 4.09Å; F1142-D1234 HydrophobicContact CE2-CB 3.78Å; F1142-D1234 HydrophobicContact CZ-CB 3.65Å; F1142-D1234 WeakPolarHBondContact CZ-OD1 3.34Å; K1147-D1234 WeakPolarHBondContact CD-OD2 3.42Å; K1147-D1234 WeakPolarHBondContact CE-OD2 3.45Å; K1147-D1234 IonicContact NZ-OD1 3.58Å; K1147-D1234 IonicContact NZ-OD2 2.74Å; K1147-D1234 PolarHBondContact NZ-OD2 3.25Å
1235Q83.4Confident77.9Confident69 Ų6980.7 Ų80.732%0.32243%0.428SS..  trans-92.4-11.9178.7-58.9-171.63400113.7E1123 N1229 K1232E1123-Q1235 PolarHBondContact OE1-N 2.92Å; N1229-Q1235 PolarHBondContact O-NE2 3.41Å; K1232-Q1235 PolarHBondContact O-NE2 3.26Å
1236V81.2Confident76.6Confident20 Ų2083.4 Ų83.412%0.12144%0.436CS..SBendtrans-99.4127.2-175.4-178.90000109.7E1123 L1124 P1238 I1263E1123-V1236 HydrophobicContact CG-CG2 3.83Å; L1124-V1236 WeakPolarHBondContact O-CG2 3.27Å; V1236-P1238 WeakPolarHBondContact O-CD 3.47Å; V1236-I1263 HydrophobicContact CB-CD1 4.35Å; V1236-I1263 HydrophobicContact CG1-CD1 3.66Å; V1236-I1263 HydrophobicContact CG1-CG1 4.02Å; V1236-I1263 HydrophobicContact CG1-CG2 4.18Å; V1236-I1263 HydrophobicContact CG2-CD1 3.8Å
1237D79.8Confident74.8Confident89 Ų8988.9 Ų88.948%0.47645%0.447SS..  trans-54.2121.3174.1-175.4-24.9000110.6S1239 L1240D1237-S1239 PolarHBondContact O-N 3.17Å; D1237-S1239 VanDerWaalsContact O-N 3.14Å; D1237-S1239 WeakPolarHBondContact OD1-CB 3.41Å; D1237-S1239 PolarHBondContact OD1-N 3.46Å; D1237-S1239 PolarHBondContact OD1-OG 2.95Å; D1237-S1239 PolarHBondContact OD2-OG 2.84Å; D1237-L1240 HydrophobicContact CB-CD1 4.06Å; D1237-L1240 HydrophobicContact CB-CG 4.08Å; D1237-L1240 WeakPolarHBondContact O-CB 3.28Å; D1237-L1240 PolarHBondContact O-N 2.93Å
1238P78.7Confident73.1Confident92 Ų9289.8 Ų89.860%0.59747%0.469SS*.G310 helixtrans-55.1-29.8179.5-27.135000114.3V1236 L1240 R1241V1236-P1238 WeakPolarHBondContact O-CD 3.47Å; P1238-L1240 PolarHBondContact O-N 2.95Å; P1238-R1241 PolarHBondContact O-N 2.93Å; P1238-R1241 VanDerWaalsContact O-N 3.15Å
1239S78.2Confident71.4Confident92 Ų9284.3 Ų84.364%0.64345%0.453SS*.G310 helixtrans-65.4-18.7178.766.90000113.6D1237D1237-S1239 PolarHBondContact O-N 3.17Å; D1237-S1239 VanDerWaalsContact O-N 3.14Å; D1237-S1239 WeakPolarHBondContact OD1-CB 3.41Å; D1237-S1239 PolarHBondContact OD1-N 3.46Å; D1237-S1239 PolarHBondContact OD1-OG 2.95Å; D1237-S1239 PolarHBondContact OD2-OG 2.84Å
1240L81.8Confident69.6Low37 Ų3785 Ų8519%0.19448%0.478CS..G310 helixtrans-90.6-7.9178.6-57.1-179.2000112.9D1237 P1238 I1263 L1264D1237-L1240 HydrophobicContact CB-CD1 4.06Å; D1237-L1240 HydrophobicContact CB-CG 4.08Å; D1237-L1240 WeakPolarHBondContact O-CB 3.28Å; D1237-L1240 PolarHBondContact O-N 2.93Å; P1238-L1240 PolarHBondContact O-N 2.95Å; L1240-I1263 HydrophobicContact CB-CG2 3.87Å; L1240-I1263 CarbonylContact O-C 3.42Å; L1240-I1263 WeakPolarHBondContact O-CA 3.35Å; L1240-L1264 PolarHBondContact O-N 2.82Å
1241R81.1Confident67.7Low86 Ų8688.5 Ų88.533%0.32550%0.498SS..BIsolated β-bridgetrans-81.1131179.5-63.9-177.1-177.3-173.7-2.6109.8E1123 P1238E1123-R1241 IonicContact OE2-NH2 3.54Å; E1123-R1241 PolarHBondContact OE2-NH2 3.44Å; P1238-R1241 PolarHBondContact O-N 2.93Å; P1238-R1241 VanDerWaalsContact O-N 3.15Å
1242M79.6Confident66.2Low81 Ų8191.1 Ų91.140%0.39952%0.519SS..PPolyproline II helixtrans-81.4133.7175.5-64.318064.800110.7P1262 L1264M1242-P1262 PolarHBondContact N-O 3.32Å; M1242-P1262 HydrophobicContact SD-CB 4.13Å; M1242-L1264 HydrophobicContact SD-CD1 4.45Å
1243D71.1Confident64.7Low164 Ų16493.6 Ų93.688%0.87753%0.525SS*.PPolyproline II helixtrans-69.7134.6173.9-73.6-30.6000111.2
1244I69.4Low63.3Low60 Ų6092.9 Ų92.931%0.30853%0.525SS..  trans-91.7107.3175.4-56.4173.4000107.7E1246 L1259 H1260I1244-E1246 PolarHBondContact O-N 3.19Å; I1244-L1259 HydrophobicContact CD1-CB 3.66Å; I1244-L1259 WeakPolarHBondContact CD1-O 3.49Å; I1244-L1259 HydrophobicContact CG2-CB 4.29Å; I1244-L1259 HydrophobicContact CG2-CD1 3.93Å; I1244-H1260 VanDerWaalsContact CD1-C 3.5Å; I1244-H1260 WeakPolarHBondContact CD1-O 3.3Å
1245A54.9Low62.5Low93 Ų9392.6 Ų92.677%0.76953%0.525SS*.  trans-73.890.8173.800000110.2R1247A1245-R1247 PolarHBondContact O-N 3.35Å
1246E54.6Low62.2Low124 Ų12490.4 Ų90.458%0.57952%0.515SS*.  trans-65.4104.2168-73.6-171.9169.500109I1244 G1248I1244-E1246 PolarHBondContact O-N 3.19Å; E1246-G1248 VanDerWaalsContact C-N 3.32Å; E1246-G1248 PolarHBondContact O-N 3.35Å
1247R39Very low62.3Low250 Ų25089.7 Ų89.794%0.94351%0.511SS*.  trans-68.292173.4-77.9-170.8-175.9-173.62.8109.5A1245A1245-R1247 PolarHBondContact O-N 3.35Å
1248G39.4Very low62.5Low69 Ų6989.6 Ų89.671%0.71151%0.507SS*.SBendtrans79.287.416000000115.8E1246E1246-G1248 VanDerWaalsContact C-N 3.32Å; E1246-G1248 PolarHBondContact O-N 3.35Å
1249S33.9Very low62.9Low79 Ų7986.8 Ų86.855%0.55249%0.487SS*.  177.4127.1120.155.20000109.4Q1251S1249-Q1251 PolarHBondContact O-N 3.28Å
1250G37.1Very low63.4Low92 Ų9282.8 Ų82.895%0.94846%0.458SS*.SBendtrans-69.335.116800000113.5
1251Q40.4Very low63.6Low162 Ų16284 Ų8476%0.75747%0.47SS*.  trans-151.949.3-176.2-71.5-171.1-18.300112.1S1249 R1253S1249-Q1251 PolarHBondContact O-N 3.28Å; Q1251-R1253 PolarHBondContact O-N 3.38Å
1252A49.1Very low63.9Low58 Ų5880.4 Ų80.448%0.47946%0.458SS..  trans-75.561.3171.900000111.9V1255A1252-V1255 HydrophobicContact CB-CG2 4.07Å
1253R52.1Low64.2Low171 Ų17176.9 Ų76.965%0.64544%0.44SS*.THydrogen-bonded Turntrans-82.2117.4176.2-76.5-170.3180-174.8-1.5110.9Q1251Q1251-R1253 PolarHBondContact O-N 3.38Å
1254G58.8Low64.8Low8 Ų873.3 Ų73.38%0.08242%0.421CS..THydrogen-bonded Turntrans87.833167.500000116
1255V68.1Low65.5Low49 Ų4971.6 Ų71.630%0.29741%0.412SS..  trans-72.8134.4172.6-174.50000110.2N1180 A1252 F1257N1180-V1255 HydrophobicContact CB-CG1 4.11Å; N1180-V1255 WeakPolarHBondContact ND2-CG1 3.42Å; N1180-V1255 WeakPolarHBondContact OD1-CG1 3.33Å; A1252-V1255 HydrophobicContact CB-CG2 4.07Å; V1255-F1257 WeakPolarHBondContact CG1-O 3.35Å
1256L77.5Confident66.6Low22 Ų2270.7 Ų70.712%0.11539%0.394CS..SBendtrans-75.2-49.2-178.7-179.867.8000111.8G455 L475 I1179 N1180 L1183G455-L1256 WeakPolarHBondContact O-CD1 3.33Å; L475-L1256 HydrophobicContact CB-CD1 4.33Å; L475-L1256 HydrophobicContact CD2-CD1 3.52Å; I1179-L1256 HydrophobicContact CG2-CD2 4.47Å; N1180-L1256 PolarHBondContact OD1-N 3.28Å; L1183-L1256 HydrophobicContact CD1-CD2 3.54Å
1257F83.4Confident66.6Low5 Ų579 Ų792%0.02242%0.42CS..SBendtrans-115.1116.2-176.5-70.6-58000110.8F1118 R1176 I1179 N1180 V1255F1118-F1257 HydrophobicContact CD1-CE1 4.45Å; F1118-F1257 AromaticContact CD1-CZ 3.86Å; F1118-F1257 HydrophobicContact CD1-CZ 3.86Å; F1118-F1257 WeakPolarHBondContact O-CE1 3.4Å; R1176-F1257 HydrophobicContact CB-CB 4.09Å; R1176-F1257 HydrophobicContact CG-CB 4.07Å; R1176-F1257 HydrophobicContact CG-CG 4.43Å; I1179-F1257 HydrophobicContact CB-CD2 4.36Å; I1179-F1257 HydrophobicContact CD1-CD2 4.31Å; I1179-F1257 HydrophobicContact CD1-CE2 4.19Å; I1179-F1257 HydrophobicContact CG2-CD2 3.88Å; I1179-F1257 HydrophobicContact CG2-CE2 3.84Å; N1180-F1257 PolarHBondContact ND2-O 3.16Å; N1180-F1257 PolarHBondContact OD1-N 2.83Å; V1255-F1257 WeakPolarHBondContact CG1-O 3.35Å
1258Q83.8Confident68Low88 Ų8870.5 Ų70.541%0.41139%0.394SS..PPolyproline II helixtrans-67.4147.6171.4-66.9-176.56.900110.3R1176R1176-Q1258 PolarHBondContact NE-O 3.09Å; R1176-Q1258 PolarHBondContact NH2-O 3.07Å
1259L87.9Confident69.5Low32 Ų3270.5 Ų70.517%0.16838%0.377CS..PPolyproline II helixtrans-78140.2175.7-58.5-179.7000110.1N1173 R1176 M1177 I1244N1173-L1259 HydrophobicContact CB-CD2 4.1Å; R1176-L1259 HydrophobicContact CB-CD2 4.09Å; M1177-L1259 HydrophobicContact CG-CD1 3.87Å; M1177-L1259 HydrophobicContact CG-CD2 3.61Å; M1177-L1259 HydrophobicContact CG-CG 4.33Å; M1177-L1259 HydrophobicContact SD-CD1 3.96Å; I1244-L1259 HydrophobicContact CD1-CB 3.66Å; I1244-L1259 WeakPolarHBondContact CD1-O 3.49Å; I1244-L1259 HydrophobicContact CG2-CB 4.29Å; I1244-L1259 HydrophobicContact CG2-CD1 3.93Å
1260H89.4Confident71.5Confident9 Ų970.1 Ų70.14%0.04237%0.368CS..PPolyproline II helixtrans-86.2131.3-177.4-62-49.8000110.9M1116 M1122 I1169 N1173 R1176 I1244 P1262M1116-H1260 PolarHBondContact O-NE2 2.82Å; M1122-H1260 HydrophobicContact CE-CB 3.43Å; M1122-H1260 VanDerWaalsContact CE-CB 3.43Å; M1122-H1260 VanDerWaalsContact CE-CD2 3.49Å; M1122-H1260 WeakPolarHBondContact CE-CD2 3.49Å; M1122-H1260 VanDerWaalsContact CE-CG 3.48Å; M1122-H1260 HydrophobicContact CG-CB 4.35Å; M1122-H1260 HydrophobicContact SD-CB 4.37Å; M1122-H1260 VanDerWaalsContact SD-CD2 3.58Å; I1169-H1260 HydrophobicContact CG2-CB 4.33Å; N1173-H1260 PolarHBondContact ND2-O 2.95Å; N1173-H1260 PolarHBondContact OD1-N 2.81Å; R1176-H1260 VanDerWaalsContact CZ-CE1 3.45Å; R1176-H1260 PolarHBondContact NH1-NE2 3.4Å; R1176-H1260 PolarHBondContact NH2-CE1 3.44Å; I1244-H1260 VanDerWaalsContact CD1-C 3.5Å; I1244-H1260 WeakPolarHBondContact CD1-O 3.3Å; H1260-P1262 VanDerWaalsContact O-CD 3.31Å; H1260-P1262 WeakPolarHBondContact O-CD 3.11Å
1261S85.9Confident73.5Confident62 Ų6268.8 Ų68.843%0.43433%0.334SS..PPolyproline II helixtrans-76.8119.2174.4-64.60000110.4
1262P86.5Confident75.6Confident11 Ų1162.9 Ų62.97%0.07131%0.307CS..PPolyproline II helixtrans-65.9155.6171.8-15.128.7000111.6V1166 I1169 M1242 H1260V1166-P1262 HydrophobicContact CG1-CB 4.2Å; I1169-P1262 HydrophobicContact CB-CG 4.47Å; I1169-P1262 HydrophobicContact CG2-CB 4.36Å; I1169-P1262 HydrophobicContact CG2-CG 3.94Å; M1242-P1262 PolarHBondContact N-O 3.32Å; M1242-P1262 HydrophobicContact SD-CB 4.13Å; H1260-P1262 VanDerWaalsContact O-CD 3.31Å; H1260-P1262 WeakPolarHBondContact O-CD 3.11Å
1263I85.1Confident77.3Confident6 Ų663.3 Ų63.33%0.03130%0.296CS..BIsolated β-bridgetrans-98138169.1-51.9170.3000107.9L1124 T1126 Y1133 V1236 L1240 L1265L1124-I1263 HydrophobicContact CB-CD1 3.58Å; L1124-I1263 HydrophobicContact CB-CG1 4.21Å; L1124-I1263 WeakPolarHBondContact O-CD1 3.37Å; T1126-I1263 HydrophobicContact CG2-CD1 4.35Å; T1126-I1263 HydrophobicContact CG2-CG2 4.43Å; Y1133-I1263 HydrophobicContact CE1-CB 4.04Å; Y1133-I1263 HydrophobicContact CE1-CG1 4.49Å; Y1133-I1263 PolarHBondContact OH-N 2.82Å; Y1133-I1263 PolarHBondContact OH-O 3.12Å; V1236-I1263 HydrophobicContact CB-CD1 4.35Å; V1236-I1263 HydrophobicContact CG1-CD1 3.66Å; V1236-I1263 HydrophobicContact CG1-CG1 4.02Å; V1236-I1263 HydrophobicContact CG1-CG2 4.18Å; V1236-I1263 HydrophobicContact CG2-CD1 3.8Å; L1240-I1263 HydrophobicContact CB-CG2 3.87Å; L1240-I1263 CarbonylContact O-C 3.42Å; L1240-I1263 WeakPolarHBondContact O-CA 3.35Å; I1263-L1265 PolarHBondContact O-N 3.12Å
1264L83.9Confident79.1Confident90 Ų9055.6 Ų55.647%0.47127%0.271SS..PPolyproline II helixtrans-63.2117175.2-167.577.3000110.1L1240 M1242L1240-L1264 PolarHBondContact O-N 2.82Å; M1242-L1264 HydrophobicContact SD-CD1 4.45Å
1265L84.9Confident80.7Confident24 Ų2459.2 Ų59.213%0.12629%0.285CS..PPolyproline II helixtrans-88.9141.2172.6-61.8179.6000110.1T1126 R1130 Y1133 V1166 I1263 R1267T1126-L1265 HydrophobicContact CG2-CD2 3.88Å; R1130-L1265 CarbonylContact O-C 3.52Å; R1130-L1265 WeakPolarHBondContact O-CA 3.44Å; R1130-L1265 VanDerWaalsContact O-CB 3.24Å; R1130-L1265 WeakPolarHBondContact O-CB 3.45Å; R1130-L1265 WeakPolarHBondContact O-CD2 3.37Å; Y1133-L1265 HydrophobicContact CD1-CD2 4.19Å; Y1133-L1265 HydrophobicContact CE1-CD2 3.89Å; Y1133-L1265 HydrophobicContact CE1-CG 4.35Å; Y1133-L1265 HydrophobicContact CE2-CD1 4.36Å; V1166-L1265 HydrophobicContact CG2-CD1 3.98Å; V1166-L1265 HydrophobicContact CG2-CG 4.11Å; I1263-L1265 PolarHBondContact O-N 3.12Å; L1265-R1267 PolarHBondContact O-N 3.35Å
1266N78.8Confident81.7Confident74 Ų7460.1 Ų60.140%0.39628%0.284SS..  trans-70.5113.6169.2-68.7-23.5000107.6E1129 R1130E1129-N1266 PolarHBondContact O-ND2 3.31Å; R1130-N1266 HydrophobicContact CB-CB 4.43Å; R1130-N1266 PolarHBondContact NE-ND2 3.08Å; R1130-N1266 PolarHBondContact NH2-ND2 2.62Å; R1130-N1266 PolarHBondContact O-N 3.2Å
1267R53.8Low82.1Confident298 Ų29863.5 Ų63.5100%1.12530%0.3SS*.  trans-90.60170.6-86.5-169.4176.1-176.90111.1L1265L1265-R1267 PolarHBondContact O-N 3.35Å

Retrieved 1,267 of 1,267 residues in 1540.3 ms (Link to these results)

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