A0A5K4EQQ8_SCHMA Loading...

Kelch-related proteins

AlphaFold DB , UniProt , Accession A0A5K4EQQ8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 610 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
1M41.6Very low61.7Low228 Ų228157 Ų157100%1.12375%0.753SS**  0104.20-158.8-178.1-49.900105E3M1-E3 PolarHBondContact O-N 2.92Å
2M49.7Very low63.5Low165 Ų165150.3 Ų150.381%0.81374%0.735SS**  trans-79.2104.8176.3-124.5179.1-9500105.6F4M2-F4 PolarHBondContact O-N 2.99Å; M2-F4 VanDerWaalsContact O-N 3.1Å
3E51.5Low65.2Low177 Ų177148.7 Ų148.783%0.82773%0.725SS**  trans-66.1105.6168.3-77.8178.7158.200106.7M1 E5M1-E3 PolarHBondContact O-N 2.92Å; E3-E5 PolarHBondContact O-N 3.23Å
4F61.4Low67Low174 Ų174146.9 Ų146.976%0.76372%0.715SS**  trans-71.3108.3168.1-72.5-83.7000107.1M2 R6M2-F4 PolarHBondContact O-N 2.99Å; M2-F4 VanDerWaalsContact O-N 3.1Å; F4-R6 PolarHBondContact O-N 2.64Å
5E62.1Low68.4Low194 Ų194144.2 Ų144.291%0.90770%0.704SS**  trans-63.2101.6162.2-76.2-175.4162.600107.6E3E3-E5 PolarHBondContact O-N 3.23Å
6R63.8Low69.7Low222 Ų222139.1 Ų139.184%0.83868%0.684SS**  trans-78.7123.9168-75.6-174.7179.5-174.60.4107.3F4 S8F4-R6 PolarHBondContact O-N 2.64Å; R6-S8 PolarHBondContact O-N 2.81Å
7L67.5Low71Confident137 Ų137137 Ų13772%0.71767%0.672SS**  trans-6981.5172.9-150.9142.5000108.4N10L7-N10 HydrophobicContact CD2-CB 4Å
8S65.9Low72.2Confident82 Ų82132.7 Ų132.757%0.57366%0.655SS**  trans-88.8-22-175.2590000113.8R6R6-S8 PolarHBondContact O-N 2.81Å
9E66.6Low73.3Confident172 Ų172128.4 Ų128.480%0.80464%0.637SS**THydrogen-bonded Turntrans-75.6-30.7-170.3-67.1-174.7163.700113.8
10N70.7Confident74.3Confident79 Ų79129.7 Ų129.742%0.42263%0.634SS.*THydrogen-bonded Turntrans-105.413.8-173.9-67-3.4000114.9L7 S12 E13 Q14L7-N10 HydrophobicContact CD2-CB 4Å; N10-S12 VanDerWaalsContact C-N 3.28Å; N10-S12 PolarHBondContact O-N 2.93Å; N10-E13 PolarHBondContact O-N 3.01Å; N10-Q14 PolarHBondContact O-N 3.21Å; N10-Q14 VanDerWaalsContact O-N 3.08Å
11I78.6Confident75.2Confident97 Ų97125.3 Ų125.350%0.49762%0.616SS.*Hα-helixtrans-59.7-41.7-178.7-64.3174000110.7Q14 L15I11-Q14 PolarHBondContact O-N 3.47Å; I11-L15 HydrophobicContact CG2-CD1 3.85Å; I11-L15 HydrophobicContact CG2-CG 4.31Å; I11-L15 WeakPolarHBondContact O-CB 3.39Å; I11-L15 VanDerWaalsContact O-CG 3.23Å; I11-L15 WeakPolarHBondContact O-CG 3.48Å; I11-L15 PolarHBondContact O-N 3.29Å
12S83.2Confident77.8Confident77 Ų77117 Ų11754%0.53858%0.576SS.*Hα-helixtrans-62.1-46.5178.853.10000112.2N10 L15 V16N10-S12 VanDerWaalsContact C-N 3.28Å; N10-S12 PolarHBondContact O-N 2.93Å; S12-L15 PolarHBondContact O-N 3.48Å; S12-V16 WeakPolarHBondContact O-CB 3.47Å; S12-V16 VanDerWaalsContact O-CG2 3.25Å; S12-V16 WeakPolarHBondContact O-CG2 3.31Å; S12-V16 PolarHBondContact O-N 3.2Å
13E85.8Confident79.9Confident129 Ų129110 Ų11060%0.60354%0.542SS*.Hα-helixtrans-62.7-45.4178.9-65.9-172.5167.400111.9N10 L15 V16 Q17N10-E13 PolarHBondContact O-N 3.01Å; E13-L15 PolarHBondContact O-N 2.99Å; E13-V16 PolarHBondContact O-N 2.92Å; E13-Q17 WeakPolarHBondContact O-CB 3.5Å; E13-Q17 PolarHBondContact O-N 2.82Å
14Q89.3Confident82Confident124 Ų124103.5 Ų103.558%0.57952%0.516SS*.Hα-helixtrans-64.7-39.8179-176.458.838.300111.9N10 I11 Q17 T18N10-Q14 PolarHBondContact O-N 3.21Å; N10-Q14 VanDerWaalsContact O-N 3.08Å; I11-Q14 PolarHBondContact O-N 3.47Å; Q14-Q17 PolarHBondContact O-N 3.07Å; Q14-T18 PolarHBondContact NE2-OG1 2.9Å; Q14-T18 WeakPolarHBondContact O-CB 3.37Å; Q14-T18 PolarHBondContact O-N 3.32Å; Q14-T18 PolarHBondContact O-OG1 3.16Å
15L89Confident83.6Confident106 Ų10698.5 Ų98.556%0.55549%0.494SS*.Hα-helixtrans-63.5-47.1175-72.8173.6000111.2I11 S12 E13 Q17 T18 T19I11-L15 HydrophobicContact CG2-CD1 3.85Å; I11-L15 HydrophobicContact CG2-CG 4.31Å; I11-L15 WeakPolarHBondContact O-CB 3.39Å; I11-L15 VanDerWaalsContact O-CG 3.23Å; I11-L15 WeakPolarHBondContact O-CG 3.48Å; I11-L15 PolarHBondContact O-N 3.29Å; S12-L15 PolarHBondContact O-N 3.48Å; E13-L15 PolarHBondContact O-N 2.99Å; L15-Q17 VanDerWaalsContact C-N 3.34Å; L15-Q17 PolarHBondContact O-N 2.96Å; L15-T18 PolarHBondContact O-N 3.34Å; L15-T19 WeakPolarHBondContact O-CG2 3.47Å; L15-T19 PolarHBondContact O-N 3.01Å; L15-T19 PolarHBondContact O-OG1 3.24Å; L15-T19 VanDerWaalsContact O-OG1 3.1Å
16V89Confident85.2Confident62 Ų6290.4 Ų90.438%0.37646%0.455SS..Hα-helixtrans-60.9-41.6177.2169.90000111.7S12 E13 T18 T19 R20S12-V16 WeakPolarHBondContact O-CB 3.47Å; S12-V16 VanDerWaalsContact O-CG2 3.25Å; S12-V16 WeakPolarHBondContact O-CG2 3.31Å; S12-V16 PolarHBondContact O-N 3.2Å; E13-V16 PolarHBondContact O-N 2.92Å; V16-T18 VanDerWaalsContact C-N 3.34Å; V16-T19 WeakPolarHBondContact CA-OG1 3.42Å; V16-T19 PolarHBondContact O-OG1 2.76Å; V16-R20 WeakPolarHBondContact O-CB 3.48Å; V16-R20 VanDerWaalsContact O-CG 3.25Å; V16-R20 WeakPolarHBondContact O-CG 3.27Å; V16-R20 PolarHBondContact O-N 3.47Å; V16-R20 VanDerWaalsContact O-N 3.08Å
17Q91.7Very high86.6Confident104 Ų10485 Ų8549%0.48644%0.442SS..Hα-helixtrans-66.2-38.6176.9-177.35824.200111.7E13 Q14 L15 S21E13-Q17 WeakPolarHBondContact O-CB 3.5Å; E13-Q17 PolarHBondContact O-N 2.82Å; Q14-Q17 PolarHBondContact O-N 3.07Å; L15-Q17 VanDerWaalsContact C-N 3.34Å; L15-Q17 PolarHBondContact O-N 2.96Å; Q17-S21 WeakPolarHBondContact O-CB 3.34Å; Q17-S21 PolarHBondContact O-N 3.47Å; Q17-S21 PolarHBondContact O-OG 2.87Å
18T92.6Very high87.9Confident60 Ų6087 Ų8737%0.36844%0.44SS..Hα-helixtrans-66.7-47.7178.7-56.70000111Q14 L15 V16 R20 S21 L22Q14-T18 PolarHBondContact NE2-OG1 2.9Å; Q14-T18 WeakPolarHBondContact O-CB 3.37Å; Q14-T18 PolarHBondContact O-N 3.32Å; Q14-T18 PolarHBondContact O-OG1 3.16Å; L15-T18 PolarHBondContact O-N 3.34Å; V16-T18 VanDerWaalsContact C-N 3.34Å; T18-R20 PolarHBondContact O-N 2.83Å; T18-S21 WeakPolarHBondContact O-CB 3.31Å; T18-S21 PolarHBondContact O-N 2.95Å; T18-S21 VanDerWaalsContact O-N 3.15Å; T18-L22 HydrophobicContact CG2-CD1 4.29Å; T18-L22 WeakPolarHBondContact O-CG 3.26Å; T18-L22 PolarHBondContact O-N 2.78Å
19T92.6Very high89.2Confident50 Ų5086.1 Ų86.131%0.30743%0.434SS..Hα-helixtrans-63.1-42.4178.851.70000112.3L15 V16 S21 L22 Q23 Y91L15-T19 WeakPolarHBondContact O-CG2 3.47Å; L15-T19 PolarHBondContact O-N 3.01Å; L15-T19 PolarHBondContact O-OG1 3.24Å; L15-T19 VanDerWaalsContact O-OG1 3.1Å; V16-T19 WeakPolarHBondContact CA-OG1 3.42Å; V16-T19 PolarHBondContact O-OG1 2.76Å; T19-S21 VanDerWaalsContact C-N 3.3Å; T19-S21 PolarHBondContact O-N 2.83Å; T19-L22 PolarHBondContact O-N 2.71Å; T19-Q23 WeakPolarHBondContact O-CB 3.49Å; T19-Q23 PolarHBondContact O-N 3.19Å; T19-Y91 VanDerWaalsContact CB-O 3.25Å; T19-Y91 WeakPolarHBondContact CB-O 3.19Å
20R92.8Very high90.5Very high154 Ų15481.4 Ų81.458%0.58142%0.415SS*.Hα-helixtrans-61.2-37.4172.6-73.7175.9-179169.32.1112.9V16 T18 S24V16-R20 WeakPolarHBondContact O-CB 3.48Å; V16-R20 VanDerWaalsContact O-CG 3.25Å; V16-R20 WeakPolarHBondContact O-CG 3.27Å; V16-R20 PolarHBondContact O-N 3.47Å; V16-R20 VanDerWaalsContact O-N 3.08Å; T18-R20 PolarHBondContact O-N 2.83Å; R20-S24 WeakPolarHBondContact O-CB 3.42Å; R20-S24 PolarHBondContact O-N 3.1Å
21S94.8Very high91.6Very high38 Ų3885.2 Ų85.227%0.26643%0.427SS..Hα-helixtrans-68.1-43.3176.9-58.30000111.2Q17 T18 T19 Q23 S24 F25Q17-S21 WeakPolarHBondContact O-CB 3.34Å; Q17-S21 PolarHBondContact O-N 3.47Å; Q17-S21 PolarHBondContact O-OG 2.87Å; T18-S21 WeakPolarHBondContact O-CB 3.31Å; T18-S21 PolarHBondContact O-N 2.95Å; T18-S21 VanDerWaalsContact O-N 3.15Å; T19-S21 VanDerWaalsContact C-N 3.3Å; T19-S21 PolarHBondContact O-N 2.83Å; S21-Q23 VanDerWaalsContact C-N 3.34Å; S21-Q23 PolarHBondContact O-N 2.85Å; S21-S24 WeakPolarHBondContact O-CB 3.18Å; S21-S24 PolarHBondContact O-N 3.46Å; S21-F25 WeakPolarHBondContact O-CD1 3.25Å; S21-F25 WeakPolarHBondContact O-CG 3.49Å; S21-F25 PolarHBondContact O-N 3.01Å
22L95Very high92.3Very high54 Ų5482.3 Ų82.328%0.28342%0.415SS..Hα-helixtrans-62.1-39.7175.3-70.2171.2000112.3T18 T19 F25 R26 V49 Y91T18-L22 HydrophobicContact CG2-CD1 4.29Å; T18-L22 WeakPolarHBondContact O-CG 3.26Å; T18-L22 PolarHBondContact O-N 2.78Å; T19-L22 PolarHBondContact O-N 2.71Å; L22-F25 HydrophobicContact CD2-CD2 4.39Å; L22-F25 PolarHBondContact O-N 3.22Å; L22-R26 PolarHBondContact O-N 3.4Å; L22-V49 HydrophobicContact CD1-CG2 4.07Å; L22-Y91 HydrophobicContact CB-CD1 4.01Å; L22-Y91 HydrophobicContact CB-CE1 4.15Å
23Q93.9Very high92.8Very high18 Ų1882.1 Ų82.18%0.08441%0.408CS..Hα-helixtrans-60.6-49.3172.8176.465.734.800111.2T19 S21 F25 R26 D27 L92T19-Q23 WeakPolarHBondContact O-CB 3.49Å; T19-Q23 PolarHBondContact O-N 3.19Å; S21-Q23 VanDerWaalsContact C-N 3.34Å; S21-Q23 PolarHBondContact O-N 2.85Å; Q23-F25 VanDerWaalsContact C-N 3.26Å; Q23-F25 PolarHBondContact O-N 3.37Å; Q23-R26 WeakPolarHBondContact O-CA 3.33Å; Q23-R26 VanDerWaalsContact O-CB 3.31Å; Q23-R26 WeakPolarHBondContact O-CB 3.46Å; Q23-R26 PolarHBondContact O-N 3.02Å; Q23-R26 VanDerWaalsContact O-N 3.07Å; Q23-D27 PolarHBondContact NE2-OD1 3.29Å; Q23-D27 PolarHBondContact NE2-OD2 3.36Å; Q23-D27 VanDerWaalsContact NE2-OD2 3.09Å; Q23-D27 PolarHBondContact O-N 3.09Å; Q23-L92 HydrophobicContact CB-CD2 3.72Å; Q23-L92 HydrophobicContact CB-CG 4.31Å; Q23-L92 HydrophobicContact CG-CD1 4.08Å; Q23-L92 HydrophobicContact CG-CD2 3.88Å; Q23-L92 HydrophobicContact CG-CG 4.12Å
24S95.1Very high93.2Very high40 Ų4076.1 Ų76.128%0.2838%0.379SS..Hα-helixtrans-59.5-36.7176.5177.80000112.5R20 S21 R28R20-S24 WeakPolarHBondContact O-CB 3.42Å; R20-S24 PolarHBondContact O-N 3.1Å; S21-S24 WeakPolarHBondContact O-CB 3.18Å; S21-S24 PolarHBondContact O-N 3.46Å; S24-R28 WeakPolarHBondContact O-CG 3.41Å; S24-R28 PolarHBondContact O-N 3.09Å
25F96.1Very high93.4Very high70 Ų7072.2 Ų72.231%0.30736%0.362SS..Hα-helixtrans-65.3-43.2173.6-63.2-16.9000111.6S21 L22 Q23 R28 S29 L30 F31S21-F25 WeakPolarHBondContact O-CD1 3.25Å; S21-F25 WeakPolarHBondContact O-CG 3.49Å; S21-F25 PolarHBondContact O-N 3.01Å; L22-F25 HydrophobicContact CD2-CD2 4.39Å; L22-F25 PolarHBondContact O-N 3.22Å; Q23-F25 VanDerWaalsContact C-N 3.26Å; Q23-F25 PolarHBondContact O-N 3.37Å; F25-R28 CarbonylContact O-C 3.41Å; F25-R28 PolarHBondContact O-N 2.71Å; F25-S29 PolarHBondContact O-N 2.74Å; F25-L30 HydrophobicContact CB-CB 4.2Å; F25-L30 HydrophobicContact CD1-CD1 4.33Å; F25-L30 PolarHBondContact O-N 2.95Å; F25-F31 AromaticContact CD2-CD2 3.88Å; F25-F31 HydrophobicContact CD2-CD2 3.88Å; F25-F31 HydrophobicContact CD2-CE2 4.28Å; F25-F31 HydrophobicContact CE1-CE2 4.47Å; F25-F31 HydrophobicContact CE2-CD2 4.21Å; F25-F31 HydrophobicContact CE2-CE2 4.2Å; F25-F31 HydrophobicContact CG-CD2 4.11Å; F25-F31 HydrophobicContact CG-CE2 4.46Å; F25-F31 HydrophobicContact CZ-CE2 4.31Å
26R95.3Very high93.7Very high24 Ų2467.1 Ų67.19%0.09134%0.336CS..Hα-helixtrans-58.6-50.6174.9-171.6-171.478.9-173.117111.5L22 Q23 R28 S29 P44 L87 D88 Y91L22-R26 PolarHBondContact O-N 3.4Å; Q23-R26 WeakPolarHBondContact O-CA 3.33Å; Q23-R26 VanDerWaalsContact O-CB 3.31Å; Q23-R26 WeakPolarHBondContact O-CB 3.46Å; Q23-R26 PolarHBondContact O-N 3.02Å; Q23-R26 VanDerWaalsContact O-N 3.07Å; R26-R28 PolarHBondContact O-N 2.79Å; R26-R28 VanDerWaalsContact O-N 3.16Å; R26-S29 PolarHBondContact O-N 2.9Å; R26-P44 VanDerWaalsContact CG-O 3.27Å; R26-P44 WeakPolarHBondContact CG-O 3.26Å; R26-L87 PolarHBondContact NH1-O 3.23Å; R26-D88 IonicContact CZ-OD1 2.93Å; R26-D88 IonicContact NH1-OD1 3.7Å; R26-D88 IonicContact NH2-OD1 3.86Å; R26-D88 PolarHBondContact NH2-OD1 3.34Å; R26-Y91 HydrophobicContact CB-CD1 4.44Å; R26-Y91 HydrophobicContact CB-CE1 3.96Å; R26-Y91 HydrophobicContact CG-CE1 4.4Å
27D93.4Very high94Very high107 Ų10764.9 Ų64.957%0.57232%0.323SS*.Hα-helixtrans-62.5-26-177.8-63.9-24.6000112.6Q23Q23-D27 PolarHBondContact NE2-OD1 3.29Å; Q23-D27 PolarHBondContact NE2-OD2 3.36Å; Q23-D27 VanDerWaalsContact NE2-OD2 3.09Å; Q23-D27 PolarHBondContact O-N 3.09Å
28R94.9Very high94.1Very high179 Ų17960 Ų6068%0.67530%0.299SS*.THydrogen-bonded Turntrans-97.93.2175.2-63.3178-175.4-170.21.3114S24 F25 R26 L30S24-R28 WeakPolarHBondContact O-CG 3.41Å; S24-R28 PolarHBondContact O-N 3.09Å; F25-R28 CarbonylContact O-C 3.41Å; F25-R28 PolarHBondContact O-N 2.71Å; R26-R28 PolarHBondContact O-N 2.79Å; R26-R28 VanDerWaalsContact O-N 3.16Å; R28-L30 HydrophobicContact CB-CD1 3.99Å; R28-L30 HydrophobicContact CB-CG 3.84Å; R28-L30 PolarHBondContact O-N 2.95Å
29S93.4Very high94Very high64 Ų6460.1 Ų60.145%0.44831%0.313SS..THydrogen-bonded Turntrans52.335.5-173.6-53.90000113.6F25 R26 T32F25-S29 PolarHBondContact O-N 2.74Å; R26-S29 PolarHBondContact O-N 2.9Å; S29-T32 PolarHBondContact O-OG1 3.15Å
30L93.8Very high93.8Very high74 Ų7466.1 Ų66.139%0.38734%0.343SS..  trans-89.9132.5175.7-65176.5000109.5F25 R28 T32 H46F25-L30 HydrophobicContact CB-CB 4.2Å; F25-L30 HydrophobicContact CD1-CD1 4.33Å; F25-L30 PolarHBondContact O-N 2.95Å; R28-L30 HydrophobicContact CB-CD1 3.99Å; R28-L30 HydrophobicContact CB-CG 3.84Å; R28-L30 PolarHBondContact O-N 2.95Å; L30-T32 PolarHBondContact O-N 2.93Å; L30-H46 PolarHBondContact O-NE2 3.28Å
31F93.2Very high93.8Very high158 Ų15862.1 Ų62.169%0.69333%0.331SS*.SBendtrans59.46.6179.3-44.4-66.8000115.8F25 D33 H46F25-F31 AromaticContact CD2-CD2 3.88Å; F25-F31 HydrophobicContact CD2-CD2 3.88Å; F25-F31 HydrophobicContact CD2-CE2 4.28Å; F25-F31 HydrophobicContact CE1-CE2 4.47Å; F25-F31 HydrophobicContact CE2-CD2 4.21Å; F25-F31 HydrophobicContact CE2-CE2 4.2Å; F25-F31 HydrophobicContact CG-CD2 4.11Å; F25-F31 HydrophobicContact CG-CE2 4.46Å; F25-F31 HydrophobicContact CZ-CE2 4.31Å; F31-D33 PolarHBondContact O-N 2.94Å; F31-H46 PolarHBondContact O-CD2 3.39Å
32T93.5Very high93.8Very high37 Ų3765 Ų6523%0.22734%0.341CS..  trans-66.3129.3174.255.90000110.1S29 L30 P44 C45S29-T32 PolarHBondContact O-OG1 3.15Å; L30-T32 PolarHBondContact O-N 2.93Å; T32-P44 HydrophobicContact CG2-CB 3.99Å; T32-C45 CarbonylContact C-O 3.56Å; T32-C45 WeakPolarHBondContact CA-O 3.41Å; T32-C45 WeakPolarHBondContact CB-O 3.38Å
33D93.5Very high93.8Very high73 Ų7363 Ų6339%0.3933%0.33SS..  trans-118.84.1-174.459.4-10.2000112.7F31 C45 H46 K47F31-D33 PolarHBondContact O-N 2.94Å; D33-C45 PolarHBondContact N-O 2.92Å; D33-C45 VanDerWaalsContact N-O 3.1Å; D33-H46 VanDerWaalsContact OD1-CA 3.26Å; D33-H46 WeakPolarHBondContact OD1-CA 3.48Å; D33-K47 WeakPolarHBondContact O-CE 3.3Å; D33-K47 WeakPolarHBondContact OD1-CG 3.49Å; D33-K47 PolarHBondContact OD1-N 3.35Å
34V94.1Very high93.9Very high2 Ų263.8 Ų63.81%0.01234%0.337CS..EExtended strand (participates in β ladder)trans-148.5150.5172.263.50000111.5L36 C45 K47 L50 F61 S71 V73V34-L36 HydrophobicContact CG2-CD2 4.47Å; V34-C45 WeakPolarHBondContact CG1-O 3.16Å; V34-C45 PolarHBondContact N-O 3.41Å; V34-C45 PolarHBondContact O-N 3.07Å; V34-C45 VanDerWaalsContact O-O 3.06Å; V34-K47 HydrophobicContact CB-CD 4.43Å; V34-K47 HydrophobicContact CB-CG 3.71Å; V34-K47 HydrophobicContact CG1-CB 4.46Å; V34-K47 HydrophobicContact CG1-CG 3.57Å; V34-L50 HydrophobicContact CG1-CD1 4.09Å; V34-F61 HydrophobicContact CG1-CZ 4.27Å; V34-F61 HydrophobicContact CG2-CE1 4.24Å; V34-F61 HydrophobicContact CG2-CZ 4.19Å; V34-S71 CarbonylContact C-O 3.56Å; V34-V73 HydrophobicContact CG2-CG2 3.78Å
35I94.9Very high93.9Very high42 Ų4261.9 Ų61.922%0.21532%0.324CS..EExtended strand (participates in β ladder)trans-119.9117.5174.6-58.6173.3000107.7E42 S71 R72 V73I35-E42 HydrophobicContact CG2-CB 3.73Å; I35-E42 HydrophobicContact CG2-CG 4.2Å; I35-S71 WeakPolarHBondContact CB-O 3.4Å; I35-S71 PolarHBondContact N-O 3.04Å; I35-R72 HydrophobicContact CB-CG 4.26Å; I35-R72 HydrophobicContact CD1-CG 4.44Å; I35-R72 CarbonylContact O-C 3.49Å; I35-R72 VanDerWaalsContact O-CA 3.31Å; I35-R72 WeakPolarHBondContact O-CA 3.4Å; I35-V73 PolarHBondContact O-N 3.08Å
36L95.5Very high93.9Very high0 Ų059.3 Ų59.30%031%0.312CS..EExtended strand (participates in β ladder)trans-83.9127.7170.8-56.5-178.7000108.9V34 L43 L50 F57 V73 L75 L83 L87V34-L36 HydrophobicContact CG2-CD2 4.47Å; L36-L43 HydrophobicContact CB-CB 4.49Å; L36-L43 PolarHBondContact N-O 3.01Å; L36-L43 PolarHBondContact O-N 2.69Å; L36-L50 HydrophobicContact CD1-CD1 4.01Å; L36-L50 HydrophobicContact CD2-CD1 4.22Å; L36-L50 HydrophobicContact CG-CD1 4.34Å; L36-F57 HydrophobicContact CD1-CE1 4.31Å; L36-F57 HydrophobicContact CD1-CZ 3.95Å; L36-F57 HydrophobicContact CD2-CE1 3.98Å; L36-F57 HydrophobicContact CD2-CZ 4.44Å; L36-V73 CarbonylContact C-O 3.58Å; L36-V73 WeakPolarHBondContact CA-O 3.39Å; L36-V73 HydrophobicContact CD2-CB 3.84Å; L36-V73 HydrophobicContact CD2-CG1 4.18Å; L36-V73 HydrophobicContact CD2-CG2 4.42Å; L36-L75 HydrophobicContact CB-CD1 4.18Å; L36-L75 HydrophobicContact CD1-CD1 4.05Å; L36-L75 HydrophobicContact CD2-CD1 4.23Å; L36-L75 HydrophobicContact CG-CD1 4.36Å; L36-L83 HydrophobicContact CB-CD2 4.01Å; L36-L83 HydrophobicContact CD1-CD1 4Å; L36-L83 HydrophobicContact CD1-CD2 4.3Å; L36-L87 HydrophobicContact CD1-CD2 4.19Å
37C94.5Very high93.9Very high15 Ų1560.2 Ų60.210%0.10132%0.317CS..EExtended strand (participates in β ladder)trans-107.4111178.4-53.20000108.4E41 V73 L75C37-E41 WeakPolarHBondContact CA-O 3.43Å; C37-V73 PolarHBondContact N-O 2.98Å; C37-L75 PolarHBondContact O-N 3.49Å
38A94Very high93.9Very high0 Ų058.6 Ų58.60%032%0.319CS..EExtended strand (participates in β ladder)trans-121.3118.5174.200000108.3D40 E41 P80 L83A38-D40 PolarHBondContact O-N 2.97Å; A38-E41 PolarHBondContact N-O 2.91Å; A38-E41 PolarHBondContact O-N 3.18Å; A38-P80 HydrophobicContact CB-CG 4.47Å; A38-P80 WeakPolarHBondContact O-CG 3.35Å; A38-L83 HydrophobicContact CB-CD2 3.65Å
39G89.3Confident93.9Very high64 Ų6451.2 Ų51.266%0.6629%0.293SS*.THydrogen-bonded Turntrans54.7-126.5-16800000111.4
40D88.9Confident94Very high175 Ų17548.1 Ų48.194%0.93627%0.272SS*.THydrogen-bonded Turntrans-920.7177.1-63.1-35.6000113.5A38A38-D40 PolarHBondContact O-N 2.97Å
41E93.8Very high94.1Very high71 Ų7145.6 Ų45.633%0.33226%0.261SS..EExtended strand (participates in β ladder)trans-94.6136.4-178.4-62.1-161.4173.200112.4C37 A38 P80 R84C37-E41 WeakPolarHBondContact CA-O 3.43Å; A38-E41 PolarHBondContact N-O 2.91Å; A38-E41 PolarHBondContact O-N 3.18Å; E41-P80 HydrophobicContact CB-CB 4.01Å; E41-P80 HydrophobicContact CB-CG 4.5Å; E41-P80 VanDerWaalsContact CD-CB 3.45Å; E41-P80 HydrophobicContact CG-CB 3.78Å; E41-P80 HydrophobicContact CG-CG 4.17Å; E41-P80 WeakPolarHBondContact OE2-CB 3.36Å; E41-R84 IonicContact OE1-NH2 3.13Å; E41-R84 IonicContact OE2-CZ 2.64Å; E41-R84 IonicContact OE2-NE 2.81Å; E41-R84 PolarHBondContact OE2-NE 2.96Å; E41-R84 IonicContact OE2-NH2 3.14Å; E41-R84 PolarHBondContact OE2-NH2 3.38Å
42E94.1Very high94.2Very high98 Ų9842.4 Ų42.446%0.45826%0.264SS..EExtended strand (participates in β ladder)trans-109.6123.8173.7-67.9-173-164.900110.1I35 P44 R72I35-E42 HydrophobicContact CG2-CB 3.73Å; I35-E42 HydrophobicContact CG2-CG 4.2Å; E42-P44 WeakPolarHBondContact O-CD 3.44Å; E42-R72 VanDerWaalsContact CD-NH2 3.31Å; E42-R72 IonicContact OE1-CZ 3.86Å; E42-R72 IonicContact OE1-NH1 3.13Å; E42-R72 PolarHBondContact OE1-NH1 3.48Å; E42-R72 IonicContact OE1-NH2 2.71Å; E42-R72 PolarHBondContact OE1-NH2 2.87Å; E42-R72 IonicContact OE2-CZ 3.56Å; E42-R72 IonicContact OE2-NH1 2.81Å; E42-R72 PolarHBondContact OE2-NH1 3.44Å; E42-R72 IonicContact OE2-NH2 2.65Å
43L95.2Very high94.3Very high11 Ų1142.5 Ų42.56%0.05827%0.266CS..EExtended strand (participates in β ladder)trans-120.796.8-175.1-60.1175.5000110.6L36 C45 L83 R84 L87L36-L43 HydrophobicContact CB-CB 4.49Å; L36-L43 PolarHBondContact N-O 3.01Å; L36-L43 PolarHBondContact O-N 2.69Å; L43-C45 PolarHBondContact O-SG 3.28Å; L43-L83 HydrophobicContact CD1-CB 4.35Å; L43-L83 HydrophobicContact CD1-CD2 3.7Å; L43-L83 HydrophobicContact CD1-CG 3.83Å; L43-R84 HydrophobicContact CD1-CG 4.03Å; L43-R84 HydrophobicContact CD2-CG 4.21Å; L43-R84 VanDerWaalsContact CD2-CZ 3.49Å; L43-L87 HydrophobicContact CB-CD1 4.06Å; L43-L87 HydrophobicContact CD1-CD1 3.83Å
44P95.6Very high94.4Very high36 Ų3639.2 Ų39.223%0.23425%0.249CC..EExtended strand (participates in β ladder)trans-63.3133.6174-22.134.5000111.7R26 T32 E42R26-P44 VanDerWaalsContact CG-O 3.27Å; R26-P44 WeakPolarHBondContact CG-O 3.26Å; T32-P44 HydrophobicContact CG2-CB 3.99Å; E42-P44 WeakPolarHBondContact O-CD 3.44Å
45C95.9Very high94.5Very high0 Ų041.6 Ų41.60%027%0.269CS..EExtended strand (participates in β ladder)trans-155.8175.3-178.449.50000112T32 D33 V34 L43 L50T32-C45 CarbonylContact C-O 3.56Å; T32-C45 WeakPolarHBondContact CA-O 3.41Å; T32-C45 WeakPolarHBondContact CB-O 3.38Å; D33-C45 PolarHBondContact N-O 2.92Å; D33-C45 VanDerWaalsContact N-O 3.1Å; V34-C45 WeakPolarHBondContact CG1-O 3.16Å; V34-C45 PolarHBondContact N-O 3.41Å; V34-C45 PolarHBondContact O-N 3.07Å; V34-C45 VanDerWaalsContact O-O 3.06Å; L43-C45 PolarHBondContact O-SG 3.28Å; C45-L50 HydrophobicContact CB-CD1 4.46Å
46H95.8Very high94.5Very high15 Ų1543.5 Ų43.57%0.06927%0.274CS..  trans-101.9121.3-178.8-50.389.2000110.8L30 F31 D33 A48 V49 L50 Y91L30-H46 PolarHBondContact O-NE2 3.28Å; F31-H46 PolarHBondContact O-CD2 3.39Å; D33-H46 VanDerWaalsContact OD1-CA 3.26Å; D33-H46 WeakPolarHBondContact OD1-CA 3.48Å; H46-A48 PolarHBondContact O-N 2.83Å; H46-V49 HydrophobicContact CB-CB 4.29Å; H46-V49 HydrophobicContact CB-CG2 3.95Å; H46-V49 PolarHBondContact O-N 2.76Å; H46-V49 VanDerWaalsContact O-N 3.13Å; H46-L50 PolarHBondContact O-N 3.04Å; H46-L50 VanDerWaalsContact O-N 3.14Å; H46-Y91 WeakPolarHBondContact CB-OH 3.22Å; H46-Y91 PolarHBondContact N-OH 3.32Å; H46-Y91 AromaticContact ND1-CE1 3.53Å; H46-Y91 AromaticContact ND1-CZ 3.61Å; H46-Y91 PolarHBondContact ND1-OH 3.14Å
47K94.1Very high94.5Very high43 Ų4343.5 Ų43.519%0.18727%0.274CS..Hα-helixtrans-52.9-42176.2-70.9-178.6177.7-176.50111.5D33 V34 V49 L50 A51 F61 Q68D33-K47 WeakPolarHBondContact O-CE 3.3Å; D33-K47 WeakPolarHBondContact OD1-CG 3.49Å; D33-K47 PolarHBondContact OD1-N 3.35Å; V34-K47 HydrophobicContact CB-CD 4.43Å; V34-K47 HydrophobicContact CB-CG 3.71Å; V34-K47 HydrophobicContact CG1-CB 4.46Å; V34-K47 HydrophobicContact CG1-CG 3.57Å; K47-V49 PolarHBondContact O-N 2.69Å; K47-L50 PolarHBondContact O-N 2.67Å; K47-A51 VanDerWaalsContact O-CB 3.24Å; K47-A51 WeakPolarHBondContact O-CB 3.13Å; K47-A51 PolarHBondContact O-N 3.25Å; K47-F61 HydrophobicContact CB-CD2 3.87Å; K47-F61 HydrophobicContact CB-CE2 4.01Å; K47-F61 HydrophobicContact CB-CG 4.36Å; K47-F61 HydrophobicContact CD-CD1 4.27Å; K47-F61 HydrophobicContact CD-CG 4.32Å; K47-F61 HydrophobicContact CG-CD1 4.31Å; K47-F61 HydrophobicContact CG-CD2 4.04Å; K47-F61 HydrophobicContact CG-CE1 4.23Å; K47-F61 HydrophobicContact CG-CE2 3.97Å; K47-F61 HydrophobicContact CG-CG 4.23Å; K47-F61 HydrophobicContact CG-CZ 4.07Å; K47-Q68 PolarHBondContact NZ-O 3.13Å
48A93.7Very high94.5Very high74 Ų7446.9 Ų46.961%0.61229%0.291SS*.Hα-helixtrans-61.3-41.3-179.500000112.8H46 A52H46-A48 PolarHBondContact O-N 2.83Å; A48-A52 VanDerWaalsContact O-CB 3.23Å; A48-A52 WeakPolarHBondContact O-CB 3.24Å; A48-A52 PolarHBondContact O-N 3.44Å
49V95.8Very high94.4Very high23 Ų2350 Ų5014%0.13932%0.316CS..Hα-helixtrans-69.1-46178.1178.40000110.1L22 H46 K47 A52 S53 Y91L22-V49 HydrophobicContact CD1-CG2 4.07Å; H46-V49 HydrophobicContact CB-CB 4.29Å; H46-V49 HydrophobicContact CB-CG2 3.95Å; H46-V49 PolarHBondContact O-N 2.76Å; H46-V49 VanDerWaalsContact O-N 3.13Å; K47-V49 PolarHBondContact O-N 2.69Å; V49-A52 PolarHBondContact O-N 2.84Å; V49-S53 WeakPolarHBondContact O-CB 3.23Å; V49-S53 PolarHBondContact O-N 2.81Å; V49-S53 PolarHBondContact O-OG 3.43Å; V49-Y91 HydrophobicContact CB-CE1 4.23Å; V49-Y91 HydrophobicContact CB-CE2 4.16Å; V49-Y91 HydrophobicContact CG1-CD1 4.18Å; V49-Y91 HydrophobicContact CG1-CD2 3.83Å; V49-Y91 HydrophobicContact CG1-CE1 3.99Å; V49-Y91 HydrophobicContact CG1-CE2 3.63Å; V49-Y91 HydrophobicContact CG1-CG 4.11Å; V49-Y91 HydrophobicContact CG2-CE1 4.01Å
50L96.1Very high94.5Very high0 Ų048.2 Ų48.20%029%0.291CS..Hα-helixtrans-59.9-51.2178.3-68.2-177.3000111.9V34 L36 C45 H46 K47 A52 S53 S54 F57 F61 L87V34-L50 HydrophobicContact CG1-CD1 4.09Å; L36-L50 HydrophobicContact CD1-CD1 4.01Å; L36-L50 HydrophobicContact CD2-CD1 4.22Å; L36-L50 HydrophobicContact CG-CD1 4.34Å; C45-L50 HydrophobicContact CB-CD1 4.46Å; H46-L50 PolarHBondContact O-N 3.04Å; H46-L50 VanDerWaalsContact O-N 3.14Å; K47-L50 PolarHBondContact O-N 2.67Å; L50-A52 VanDerWaalsContact C-N 3.3Å; L50-A52 PolarHBondContact O-N 2.92Å; L50-S53 PolarHBondContact O-N 2.91Å; L50-S53 PolarHBondContact O-OG 3.34Å; L50-S54 PolarHBondContact O-N 3.35Å; L50-F57 HydrophobicContact CB-CB 3.89Å; L50-F57 HydrophobicContact CB-CD2 3.85Å; L50-F57 HydrophobicContact CB-CG 3.84Å; L50-F57 HydrophobicContact CD1-CD1 4.3Å; L50-F57 HydrophobicContact CD1-CD2 4.49Å; L50-F57 HydrophobicContact CD1-CE1 4.36Å; L50-F57 HydrophobicContact CD1-CG 4.38Å; L50-F57 HydrophobicContact CD1-CZ 4.49Å; L50-F57 HydrophobicContact CD2-CD2 4.16Å; L50-F57 HydrophobicContact CD2-CE2 4.06Å; L50-F57 HydrophobicContact CG-CD2 4.39Å; L50-F61 HydrophobicContact CB-CE2 3.96Å; L50-F61 HydrophobicContact CD1-CE2 4.04Å; L50-F61 HydrophobicContact CD1-CZ 4.15Å; L50-L87 HydrophobicContact CD2-CD2 3.62Å
51A94.8Very high94.5Very high20 Ų2040.8 Ų40.817%0.16525%0.251CS..Hα-helixtrans-63.3-32.7178.800000113.3K47 S53 L58 F61K47-A51 VanDerWaalsContact O-CB 3.24Å; K47-A51 WeakPolarHBondContact O-CB 3.13Å; K47-A51 PolarHBondContact O-N 3.25Å; A51-S53 VanDerWaalsContact C-N 3.3Å; A51-L58 HydrophobicContact CB-CB 4.23Å; A51-L58 HydrophobicContact CB-CD1 4Å; A51-F61 HydrophobicContact CB-CD2 4.29Å
52A95.6Very high94.2Very high91 Ų9141.2 Ų41.275%0.75226%0.261SS*.Hα-helixtrans-71.2-27.9173.900000112.5A48 V49 L50A48-A52 VanDerWaalsContact O-CB 3.23Å; A48-A52 WeakPolarHBondContact O-CB 3.24Å; A48-A52 PolarHBondContact O-N 3.44Å; V49-A52 PolarHBondContact O-N 2.84Å; L50-A52 VanDerWaalsContact C-N 3.3Å; L50-A52 PolarHBondContact O-N 2.92Å
53S95Very high93.5Very high39 Ų3937.7 Ų37.727%0.27325%0.248SC..Hα-helixtrans-95-22.1-17473.40000114.8V49 L50 A51 Y114V49-S53 WeakPolarHBondContact O-CB 3.23Å; V49-S53 PolarHBondContact O-N 2.81Å; V49-S53 PolarHBondContact O-OG 3.43Å; L50-S53 PolarHBondContact O-N 2.91Å; L50-S53 PolarHBondContact O-OG 3.34Å; A51-S53 VanDerWaalsContact C-N 3.3Å; S53-Y114 WeakPolarHBondContact O-CE1 3.36Å; S53-Y114 WeakPolarHBondContact OG-CE1 3.3Å; S53-Y114 PolarHBondContact OG-OH 3.47Å
54S96.8Very high92.4Very high4 Ų442.4 Ų42.43%0.02828%0.279CS..  trans-146.7131.2-173.3144.80000111.3L50 Y56 F57 L58 L112L50-S54 PolarHBondContact O-N 3.35Å; S54-Y56 VanDerWaalsContact C-N 3.27Å; S54-Y56 PolarHBondContact O-N 3.2Å; S54-Y56 WeakPolarHBondContact OG-CB 3.41Å; S54-Y56 PolarHBondContact OG-N 2.87Å; S54-F57 PolarHBondContact O-N 3.09Å; S54-F57 WeakPolarHBondContact OG-CD2 3.35Å; S54-F57 PolarHBondContact OG-N 3.13Å; S54-L58 PolarHBondContact O-N 3.04Å; S54-L112 WeakPolarHBondContact CB-O 3.35Å; S54-L112 PolarHBondContact OG-O 2.83Å
55A96.2Very high91Very high53 Ų5348.8 Ų48.844%0.43830%0.3SS..Hα-helixtrans-70.8-26.5-179.900000112.1L58 A59 D113A55-L58 PolarHBondContact O-N 3.14Å; A55-A59 WeakPolarHBondContact O-CB 3.49Å; A55-A59 PolarHBondContact O-N 3.49Å; A55-D113 VanDerWaalsContact CB-OD2 3.29Å; A55-D113 WeakPolarHBondContact CB-OD2 3.47Å
56Y95Very high89.2Confident81 Ų8157.3 Ų57.332%0.31834%0.337SS..Hα-helixtrans-57.2-52.3171.1175.2-92.4000111.2S54 A59 M60 L75 L112S54-Y56 VanDerWaalsContact C-N 3.27Å; S54-Y56 PolarHBondContact O-N 3.2Å; S54-Y56 WeakPolarHBondContact OG-CB 3.41Å; S54-Y56 PolarHBondContact OG-N 2.87Å; Y56-A59 PolarHBondContact O-N 3.37Å; Y56-M60 HydrophobicContact CD1-CE 4.25Å; Y56-M60 HydrophobicContact CE1-CE 3.27Å; Y56-M60 VanDerWaalsContact CZ-CE 3.44Å; Y56-M60 WeakPolarHBondContact O-CB 3.27Å; Y56-M60 PolarHBondContact O-N 3.28Å; Y56-M60 WeakPolarHBondContact OH-CE 3.11Å; Y56-L75 HydrophobicContact CE1-CD2 4.26Å; Y56-L112 WeakPolarHBondContact CB-O 3.42Å; Y56-L112 HydrophobicContact CD1-CD2 3.71Å; Y56-L112 HydrophobicContact CE1-CD2 3.61Å; Y56-L112 HydrophobicContact CG-CD2 4.46Å
57F94.4Very high87.4Confident1 Ų160.9 Ų60.90%0.00435%0.353CS..Hα-helixtrans-69.1-35.2178.2-70.6-57.2000112.3L36 L50 S54 A59 M60 F61 L75 L112 Y114L36-F57 HydrophobicContact CD1-CE1 4.31Å; L36-F57 HydrophobicContact CD1-CZ 3.95Å; L36-F57 HydrophobicContact CD2-CE1 3.98Å; L36-F57 HydrophobicContact CD2-CZ 4.44Å; L50-F57 HydrophobicContact CB-CB 3.89Å; L50-F57 HydrophobicContact CB-CD2 3.85Å; L50-F57 HydrophobicContact CB-CG 3.84Å; L50-F57 HydrophobicContact CD1-CD1 4.3Å; L50-F57 HydrophobicContact CD1-CD2 4.49Å; L50-F57 HydrophobicContact CD1-CE1 4.36Å; L50-F57 HydrophobicContact CD1-CG 4.38Å; L50-F57 HydrophobicContact CD1-CZ 4.49Å; L50-F57 HydrophobicContact CD2-CD2 4.16Å; L50-F57 HydrophobicContact CD2-CE2 4.06Å; L50-F57 HydrophobicContact CG-CD2 4.39Å; S54-F57 PolarHBondContact O-N 3.09Å; S54-F57 WeakPolarHBondContact OG-CD2 3.35Å; S54-F57 PolarHBondContact OG-N 3.13Å; F57-A59 PolarHBondContact O-N 3.03Å; F57-M60 HydrophobicContact CD1-SD 4.36Å; F57-M60 PolarHBondContact O-N 3.43Å; F57-F61 HydrophobicContact CB-CD2 4.17Å; F57-F61 HydrophobicContact CB-CE2 3.82Å; F57-F61 HydrophobicContact CD1-CE2 4.05Å; F57-F61 AromaticContact CD1-CZ 3.97Å; F57-F61 HydrophobicContact CD1-CZ 3.97Å; F57-F61 HydrophobicContact CG-CE2 4.24Å; F57-F61 WeakPolarHBondContact O-CB 3.44Å; F57-F61 WeakPolarHBondContact O-CD2 3.25Å; F57-F61 VanDerWaalsContact O-CG 3.3Å; F57-F61 WeakPolarHBondContact O-CG 3.25Å; F57-F61 PolarHBondContact O-N 3.25Å; F57-L75 HydrophobicContact CZ-CD1 4.31Å; F57-L112 HydrophobicContact CE1-CD2 4.4Å; F57-L112 HydrophobicContact CE2-CB 4.5Å; F57-L112 HydrophobicContact CE2-CD1 4.27Å; F57-L112 HydrophobicContact CE2-CD2 4.3Å; F57-L112 HydrophobicContact CZ-CD1 4.13Å; F57-L112 HydrophobicContact CZ-CD2 3.82Å; F57-L112 HydrophobicContact CZ-CG 4.48Å; F57-Y114 HydrophobicContact CE2-CE2 4.32Å
58L93.7Very high85.6Confident86 Ų8662.6 Ų62.645%0.4536%0.362SS..Hα-helixtrans-58.7-48.4173.5-178.562.2000111.2A51 S54 A55 S62A51-L58 HydrophobicContact CB-CB 4.23Å; A51-L58 HydrophobicContact CB-CD1 4Å; S54-L58 PolarHBondContact O-N 3.04Å; A55-L58 PolarHBondContact O-N 3.14Å; L58-S62 WeakPolarHBondContact O-CB 3.45Å; L58-S62 PolarHBondContact O-N 2.81Å; L58-S62 PolarHBondContact O-OG 2.98Å
59A92.5Very high83.9Confident64 Ų6467 Ų6753%0.52937%0.37SS..Hα-helixtrans-64.1-46.1178.200000111.5A55 Y56 F57 F61 S62 S63A55-A59 WeakPolarHBondContact O-CB 3.49Å; A55-A59 PolarHBondContact O-N 3.49Å; Y56-A59 PolarHBondContact O-N 3.37Å; F57-A59 PolarHBondContact O-N 3.03Å; A59-F61 PolarHBondContact O-N 2.86Å; A59-S62 PolarHBondContact O-N 3.31Å; A59-S63 WeakPolarHBondContact O-CB 3.47Å; A59-S63 PolarHBondContact O-N 3.1Å
60M91.2Very high82.3Confident27 Ų2769 Ų6913%0.13338%0.382CS..Hα-helixtrans-57.4-46.6177.6-179.1-174.4-72.400112Y56 F57 E67 V73Y56-M60 HydrophobicContact CD1-CE 4.25Å; Y56-M60 HydrophobicContact CE1-CE 3.27Å; Y56-M60 VanDerWaalsContact CZ-CE 3.44Å; Y56-M60 WeakPolarHBondContact O-CB 3.27Å; Y56-M60 PolarHBondContact O-N 3.28Å; Y56-M60 WeakPolarHBondContact OH-CE 3.11Å; F57-M60 HydrophobicContact CD1-SD 4.36Å; F57-M60 PolarHBondContact O-N 3.43Å; M60-E67 HydrophobicContact CG-CB 4.16Å; M60-V73 HydrophobicContact CE-CG1 3.82Å; M60-V73 HydrophobicContact SD-CB 4.39Å; M60-V73 HydrophobicContact SD-CG1 3.57Å; M60-V73 VanDerWaalsContact SD-CG1 3.57Å; M60-V73 HydrophobicContact SD-CG2 3.88Å
61F89.7Confident81.6Confident20 Ų2072.6 Ų72.69%0.08841%0.407CS..Hα-helixtrans-83.8-16.8-177.1-57.8-36.3000113.9V34 K47 L50 A51 F57 A59 Q68 V73V34-F61 HydrophobicContact CG1-CZ 4.27Å; V34-F61 HydrophobicContact CG2-CE1 4.24Å; V34-F61 HydrophobicContact CG2-CZ 4.19Å; K47-F61 HydrophobicContact CB-CD2 3.87Å; K47-F61 HydrophobicContact CB-CE2 4.01Å; K47-F61 HydrophobicContact CB-CG 4.36Å; K47-F61 HydrophobicContact CD-CD1 4.27Å; K47-F61 HydrophobicContact CD-CG 4.32Å; K47-F61 HydrophobicContact CG-CD1 4.31Å; K47-F61 HydrophobicContact CG-CD2 4.04Å; K47-F61 HydrophobicContact CG-CE1 4.23Å; K47-F61 HydrophobicContact CG-CE2 3.97Å; K47-F61 HydrophobicContact CG-CG 4.23Å; K47-F61 HydrophobicContact CG-CZ 4.07Å; L50-F61 HydrophobicContact CB-CE2 3.96Å; L50-F61 HydrophobicContact CD1-CE2 4.04Å; L50-F61 HydrophobicContact CD1-CZ 4.15Å; A51-F61 HydrophobicContact CB-CD2 4.29Å; F57-F61 HydrophobicContact CB-CD2 4.17Å; F57-F61 HydrophobicContact CB-CE2 3.82Å; F57-F61 HydrophobicContact CD1-CE2 4.05Å; F57-F61 AromaticContact CD1-CZ 3.97Å; F57-F61 HydrophobicContact CD1-CZ 3.97Å; F57-F61 HydrophobicContact CG-CE2 4.24Å; F57-F61 WeakPolarHBondContact O-CB 3.44Å; F57-F61 WeakPolarHBondContact O-CD2 3.25Å; F57-F61 VanDerWaalsContact O-CG 3.3Å; F57-F61 WeakPolarHBondContact O-CG 3.25Å; F57-F61 PolarHBondContact O-N 3.25Å; A59-F61 PolarHBondContact O-N 2.86Å; F61-Q68 VanDerWaalsContact O-CG 3.3Å; F61-Q68 WeakPolarHBondContact O-CG 3.43Å; F61-Q68 PolarHBondContact O-NE2 3.48Å; F61-V73 HydrophobicContact CE1-CG2 4.11Å
62S87.6Confident81.4Confident79 Ų7977.7 Ų77.755%0.55242%0.422SS*.Hα-helixtrans-88.3-15.9174.2-56.40000113.2L58 A59L58-S62 WeakPolarHBondContact O-CB 3.45Å; L58-S62 PolarHBondContact O-N 2.81Å; L58-S62 PolarHBondContact O-OG 2.98Å; A59-S62 PolarHBondContact O-N 3.31Å
63S79.6Confident81.2Confident25 Ų2573.8 Ų73.818%0.17539%0.389CS..SBendtrans-68.6137.9-179.9174.10000112.5A59 Y65 Q68A59-S63 WeakPolarHBondContact O-CB 3.47Å; A59-S63 PolarHBondContact O-N 3.1Å; S63-Y65 PolarHBondContact O-N 3.34Å; S63-Y65 WeakPolarHBondContact OG-CD2 3.31Å; S63-Y65 PolarHBondContact OG-N 2.96Å; S63-Q68 WeakPolarHBondContact O-CG 3.49Å; S63-Q68 PolarHBondContact O-NE2 3.35Å; S63-Q68 PolarHBondContact O-OE1 3.05Å
64P71.3Confident81.1Confident110 Ų11079 Ų7971%0.71441%0.407SS*.SBendtrans-740.2176.631.9-35.7000114
65Y66.3Low80.9Confident169 Ų16979.1 Ų79.166%0.66341%0.407SS*.SBendtrans-81.6169.3-178.4-61.7-63.3000112.8S63 E67 Q68S63-Y65 PolarHBondContact O-N 3.34Å; S63-Y65 WeakPolarHBondContact OG-CD2 3.31Å; S63-Y65 PolarHBondContact OG-N 2.96Å; Y65-E67 PolarHBondContact O-N 3.49Å; Y65-Q68 PolarHBondContact O-N 3.32Å; Y65-Q68 VanDerWaalsContact O-N 3.09Å
66K57.8Low80.6Confident180 Ų18080.4 Ų80.478%0.78341%0.407SS*.G310 helixtrans-52.4-24.6-166.9-84.6-178176.8177.60115.1Q68 Q69 T70K66-Q68 PolarHBondContact O-N 3.48Å; K66-Q69 PolarHBondContact O-N 3.39Å; K66-T70 PolarHBondContact O-N 3.08Å
67E58.9Low80.3Confident90 Ų9087.7 Ų87.742%0.42144%0.435SS..G310 helixtrans-61.2-26.5178.2-6387.9-172.100113.1M60 Y65 Q69 T70M60-E67 HydrophobicContact CG-CB 4.16Å; Y65-E67 PolarHBondContact O-N 3.49Å; E67-Q69 PolarHBondContact O-N 2.85Å; E67-T70 PolarHBondContact O-OG1 3.25Å
68Q55.2Low80.3Confident78 Ų7888.1 Ų88.136%0.36444%0.438SS..G310 helixtrans-60.3-36.6173.1-102-173.6-5.100112.5K47 F61 S63 Y65 K66K47-Q68 PolarHBondContact NZ-O 3.13Å; F61-Q68 VanDerWaalsContact O-CG 3.3Å; F61-Q68 WeakPolarHBondContact O-CG 3.43Å; F61-Q68 PolarHBondContact O-NE2 3.48Å; S63-Q68 WeakPolarHBondContact O-CG 3.49Å; S63-Q68 PolarHBondContact O-NE2 3.35Å; S63-Q68 PolarHBondContact O-OE1 3.05Å; Y65-Q68 PolarHBondContact O-N 3.32Å; Y65-Q68 VanDerWaalsContact O-N 3.09Å; K66-Q68 PolarHBondContact O-N 3.48Å
69Q57.8Low80.2Confident166 Ų16685.8 Ų85.878%0.77643%0.428SS*.THydrogen-bonded Turntrans-87.5-18.1-171.6-63.5-65.1-19.500113K66 E67K66-Q69 PolarHBondContact O-N 3.39Å; E67-Q69 PolarHBondContact O-N 2.85Å
70T63.2Low80.2Confident66 Ų6684.5 Ų84.541%0.40542%0.415SS..  trans-93.7120.7178.152.30000110.4K66 E67 R72K66-T70 PolarHBondContact O-N 3.08Å; E67-T70 PolarHBondContact O-OG1 3.25Å; T70-R72 PolarHBondContact O-N 3.23Å; T70-R72 PolarHBondContact OG1-O 2.83Å
71S81.8Confident80.2Confident75 Ų7588.2 Ų88.252%0.52443%0.427SS..SBendtrans-68.77.7170.1-52.90000113.5V34 I35V34-S71 CarbonylContact C-O 3.56Å; I35-S71 WeakPolarHBondContact CB-O 3.4Å; I35-S71 PolarHBondContact N-O 3.04Å
72R90.5Very high80.5Confident127 Ų12787.2 Ų87.248%0.47942%0.423SS..EExtended strand (participates in β ladder)trans-132.8120.9-177.3-65.9176.166.7111.4-1.2109.7I35 E42 T70I35-R72 HydrophobicContact CB-CG 4.26Å; I35-R72 HydrophobicContact CD1-CG 4.44Å; I35-R72 CarbonylContact O-C 3.49Å; I35-R72 VanDerWaalsContact O-CA 3.31Å; I35-R72 WeakPolarHBondContact O-CA 3.4Å; E42-R72 VanDerWaalsContact CD-NH2 3.31Å; E42-R72 IonicContact OE1-CZ 3.86Å; E42-R72 IonicContact OE1-NH1 3.13Å; E42-R72 PolarHBondContact OE1-NH1 3.48Å; E42-R72 IonicContact OE1-NH2 2.71Å; E42-R72 PolarHBondContact OE1-NH2 2.87Å; E42-R72 IonicContact OE2-CZ 3.56Å; E42-R72 IonicContact OE2-NH1 2.81Å; E42-R72 PolarHBondContact OE2-NH1 3.44Å; E42-R72 IonicContact OE2-NH2 2.65Å; T70-R72 PolarHBondContact O-N 3.23Å; T70-R72 PolarHBondContact OG1-O 2.83Å
73V91.4Very high80.9Confident9 Ų983.6 Ų83.66%0.05540%0.397CS..EExtended strand (participates in β ladder)trans-113.6119178175.40000108.1V34 I35 L36 C37 M60 F61 L75V34-V73 HydrophobicContact CG2-CG2 3.78Å; I35-V73 PolarHBondContact O-N 3.08Å; L36-V73 CarbonylContact C-O 3.58Å; L36-V73 WeakPolarHBondContact CA-O 3.39Å; L36-V73 HydrophobicContact CD2-CB 3.84Å; L36-V73 HydrophobicContact CD2-CG1 4.18Å; L36-V73 HydrophobicContact CD2-CG2 4.42Å; C37-V73 PolarHBondContact N-O 2.98Å; M60-V73 HydrophobicContact CE-CG1 3.82Å; M60-V73 HydrophobicContact SD-CB 4.39Å; M60-V73 HydrophobicContact SD-CG1 3.57Å; M60-V73 VanDerWaalsContact SD-CG1 3.57Å; M60-V73 HydrophobicContact SD-CG2 3.88Å; F61-V73 HydrophobicContact CE1-CG2 4.11Å; V73-L75 HydrophobicContact CG1-CD2 3.99Å; V73-L75 HydrophobicContact CG1-CG 4.33Å
74K92.1Very high81.6Confident149 Ų14987.4 Ų87.465%0.64841%0.408SS*.EExtended strand (participates in β ladder)trans-85.9123.4175.3-164.4-174.3-173.8-134.20109.6D76K74-D76 WeakPolarHBondContact CE-OD1 3.47Å; K74-D76 IonicContact NZ-OD1 3.85Å; K74-D76 PolarHBondContact NZ-OD1 3.35Å; K74-D76 IonicContact NZ-OD2 3.17Å
75L93.3Very high82.8Confident7 Ų784.8 Ų84.84%0.03738%0.384CS..  trans-107.891.6176.6-64.3177.7000108.5L36 C37 Y56 F57 V73 I78 L83 L112L36-L75 HydrophobicContact CB-CD1 4.18Å; L36-L75 HydrophobicContact CD1-CD1 4.05Å; L36-L75 HydrophobicContact CD2-CD1 4.23Å; L36-L75 HydrophobicContact CG-CD1 4.36Å; C37-L75 PolarHBondContact O-N 3.49Å; Y56-L75 HydrophobicContact CE1-CD2 4.26Å; F57-L75 HydrophobicContact CZ-CD1 4.31Å; V73-L75 HydrophobicContact CG1-CD2 3.99Å; V73-L75 HydrophobicContact CG1-CG 4.33Å; L75-I78 HydrophobicContact CB-CD1 4.17Å; L75-I78 HydrophobicContact CD1-CD1 4.36Å; L75-L83 HydrophobicContact CD1-CD1 3.99Å; L75-L83 HydrophobicContact CD1-CD2 3.86Å; L75-L112 HydrophobicContact CD1-CD2 4.32Å; L75-L112 HydrophobicContact CD2-CD2 4.09Å
76D89.7Confident84.2Confident79 Ų7976.8 Ų76.842%0.42235%0.352SS..THydrogen-bonded Turntrans-68.4148.7175.2-65-46.6000110.2K74 I78K74-D76 WeakPolarHBondContact CE-OD1 3.47Å; K74-D76 IonicContact NZ-OD1 3.85Å; K74-D76 PolarHBondContact NZ-OD1 3.35Å; K74-D76 IonicContact NZ-OD2 3.17Å; D76-I78 PolarHBondContact O-N 3.02Å
77Y88.7Confident86.1Confident234 Ų23468.4 Ų68.492%0.91832%0.316SS*.THydrogen-bonded Turntrans66.77.9177-43.6-77000117.1
78I93.5Very high87.8Confident11 Ų1165.6 Ų65.66%0.05630%0.304CS..  trans-103.8129.1173.5-58.7-174.6000109.5L75 D76 L83 A108 L111 L112L75-I78 HydrophobicContact CB-CD1 4.17Å; L75-I78 HydrophobicContact CD1-CD1 4.36Å; D76-I78 PolarHBondContact O-N 3.02Å; I78-L83 HydrophobicContact CG2-CB 3.93Å; I78-A108 HydrophobicContact CG2-CB 3.81Å; I78-L111 HydrophobicContact CD1-CD2 3.83Å; I78-L111 HydrophobicContact CD1-CG 4.43Å; I78-L111 HydrophobicContact CG1-CD2 3.75Å; I78-L112 HydrophobicContact CD1-CD1 3.66Å; I78-L112 HydrophobicContact CD1-CD2 3.73Å; I78-L112 HydrophobicContact CD1-CG 3.59Å
79S92Very high89.7Confident36 Ų3663.6 Ų63.625%0.25229%0.294SS..  trans-67.2137173.980.20000110.1W81 A82 L83S79-W81 PolarHBondContact O-N 3.21Å; S79-W81 VanDerWaalsContact O-N 3.14Å; S79-A82 PolarHBondContact O-N 2.97Å; S79-A82 VanDerWaalsContact O-N 3.14Å; S79-A82 WeakPolarHBondContact OG-CB 3.45Å; S79-A82 PolarHBondContact OG-N 3.21Å; S79-A82 VanDerWaalsContact OG-N 3.16Å; S79-L83 PolarHBondContact O-N 3.19Å
80P93.1Very high91.6Very high37 Ų3756.7 Ų56.724%0.2427%0.265CS..Hα-helixtrans-56-35.2-179.4-23.130.4000112.5A38 E41 L83 R84A38-P80 HydrophobicContact CB-CG 4.47Å; A38-P80 WeakPolarHBondContact O-CG 3.35Å; E41-P80 HydrophobicContact CB-CB 4.01Å; E41-P80 HydrophobicContact CB-CG 4.5Å; E41-P80 VanDerWaalsContact CD-CB 3.45Å; E41-P80 HydrophobicContact CG-CB 3.78Å; E41-P80 HydrophobicContact CG-CG 4.17Å; E41-P80 WeakPolarHBondContact OE2-CB 3.36Å; P80-L83 PolarHBondContact O-N 2.92Å; P80-R84 WeakPolarHBondContact O-CG 3.36Å; P80-R84 PolarHBondContact O-N 2.87Å
81W91.1Very high93.1Very high105 Ų10553.8 Ų53.840%0.39825%0.247SC..Hα-helixtrans-68.6-45.9178.4-173.696.1000112.5S79 L83 R84 R85 T101 I105S79-W81 PolarHBondContact O-N 3.21Å; S79-W81 VanDerWaalsContact O-N 3.14Å; W81-L83 VanDerWaalsContact C-N 3.26Å; W81-L83 PolarHBondContact O-N 3.06Å; W81-R84 WeakPolarHBondContact O-CB 3.23Å; W81-R84 PolarHBondContact O-N 3.04Å; W81-R84 VanDerWaalsContact O-N 3.13Å; W81-R85 HydrophobicContact CD2-CG 4.12Å; W81-R85 HydrophobicContact CE3-CG 3.86Å; W81-R85 HydrophobicContact CH2-CG 3.42Å; W81-R85 VanDerWaalsContact CH2-CG 3.42Å; W81-R85 HydrophobicContact CZ2-CG 3.72Å; W81-R85 HydrophobicContact CZ3-CG 3.49Å; W81-R85 VanDerWaalsContact CZ3-CG 3.49Å; W81-R85 PolarHBondContact O-N 3.33Å; W81-R85 VanDerWaalsContact O-N 3.09Å; W81-T101 HydrophobicContact CE3-CG2 4.23Å; W81-T101 HydrophobicContact CH2-CG2 3.43Å; W81-T101 VanDerWaalsContact CH2-CG2 3.43Å; W81-T101 WeakPolarHBondContact CH2-OG1 3.44Å; W81-T101 HydrophobicContact CZ2-CG2 3.94Å; W81-T101 HydrophobicContact CZ3-CG2 3.61Å; W81-I105 HydrophobicContact CH2-CD1 3.91Å; W81-I105 HydrophobicContact CZ3-CD1 3.58Å; W81-I105 HydrophobicContact CZ3-CG1 3.75Å
82A95.6Very high93.6Very high0 Ų053.9 Ų53.90%024%0.241CC..Hα-helixtrans-61.6-39176.300000111.1S79 R84 R85 L86 D104 I105 A108S79-A82 PolarHBondContact O-N 2.97Å; S79-A82 VanDerWaalsContact O-N 3.14Å; S79-A82 WeakPolarHBondContact OG-CB 3.45Å; S79-A82 PolarHBondContact OG-N 3.21Å; S79-A82 VanDerWaalsContact OG-N 3.16Å; A82-R84 PolarHBondContact O-N 3.32Å; A82-R85 PolarHBondContact O-N 3.1Å; A82-L86 WeakPolarHBondContact O-CG 3.45Å; A82-L86 PolarHBondContact O-N 3.37Å; A82-D104 HydrophobicContact CB-CB 4.15Å; A82-I105 HydrophobicContact CB-CG1 4.27Å; A82-A108 HydrophobicContact CB-CB 4Å
83L96.2Very high93.7Very high2 Ų250.5 Ų50.51%0.0125%0.246CC..Hα-helixtrans-61.4-43.4174.4-176.456.8000112L36 A38 L43 L75 I78 S79 P80 W81 R85 L86 L87 L112L36-L83 HydrophobicContact CB-CD2 4.01Å; L36-L83 HydrophobicContact CD1-CD1 4Å; L36-L83 HydrophobicContact CD1-CD2 4.3Å; A38-L83 HydrophobicContact CB-CD2 3.65Å; L43-L83 HydrophobicContact CD1-CB 4.35Å; L43-L83 HydrophobicContact CD1-CD2 3.7Å; L43-L83 HydrophobicContact CD1-CG 3.83Å; L75-L83 HydrophobicContact CD1-CD1 3.99Å; L75-L83 HydrophobicContact CD1-CD2 3.86Å; I78-L83 HydrophobicContact CG2-CB 3.93Å; S79-L83 PolarHBondContact O-N 3.19Å; P80-L83 PolarHBondContact O-N 2.92Å; W81-L83 VanDerWaalsContact C-N 3.26Å; W81-L83 PolarHBondContact O-N 3.06Å; L83-R85 VanDerWaalsContact C-N 3.34Å; L83-R85 PolarHBondContact O-N 3.3Å; L83-L86 PolarHBondContact O-N 3.35Å; L83-L87 HydrophobicContact CD1-CG 4.4Å; L83-L87 HydrophobicContact CG-CD1 4.36Å; L83-L87 WeakPolarHBondContact O-CB 3.39Å; L83-L87 VanDerWaalsContact O-CG 3.31Å; L83-L87 WeakPolarHBondContact O-CG 3.35Å; L83-L87 PolarHBondContact O-N 3.5Å; L83-L112 HydrophobicContact CD1-CD1 3.95Å
84R94.7Very high93.7Very high106 Ų10653 Ų5340%0.426%0.263SS..Hα-helixtrans-58.8-43.8175.2-73.6172.3-176.8-83.70.7112.1E41 L43 P80 W81 A82 L87 D88E41-R84 IonicContact OE1-NH2 3.13Å; E41-R84 IonicContact OE2-CZ 2.64Å; E41-R84 IonicContact OE2-NE 2.81Å; E41-R84 PolarHBondContact OE2-NE 2.96Å; E41-R84 IonicContact OE2-NH2 3.14Å; E41-R84 PolarHBondContact OE2-NH2 3.38Å; L43-R84 HydrophobicContact CD1-CG 4.03Å; L43-R84 HydrophobicContact CD2-CG 4.21Å; L43-R84 VanDerWaalsContact CD2-CZ 3.49Å; P80-R84 WeakPolarHBondContact O-CG 3.36Å; P80-R84 PolarHBondContact O-N 2.87Å; W81-R84 WeakPolarHBondContact O-CB 3.23Å; W81-R84 PolarHBondContact O-N 3.04Å; W81-R84 VanDerWaalsContact O-N 3.13Å; A82-R84 PolarHBondContact O-N 3.32Å; R84-L87 WeakPolarHBondContact O-CB 3.49Å; R84-L87 PolarHBondContact O-N 3.44Å; R84-D88 VanDerWaalsContact O-CG 3.24Å; R84-D88 PolarHBondContact O-N 3.04Å
85R95.5Very high93.9Very high54 Ų5446.9 Ų46.920%0.20424%0.237CC..Hα-helixtrans-62.9-41176.4-63.9-69.991.6165-7.8112.5W81 A82 L83 L87 D88 F89 L95 E96 I105W81-R85 HydrophobicContact CD2-CG 4.12Å; W81-R85 HydrophobicContact CE3-CG 3.86Å; W81-R85 HydrophobicContact CH2-CG 3.42Å; W81-R85 VanDerWaalsContact CH2-CG 3.42Å; W81-R85 HydrophobicContact CZ2-CG 3.72Å; W81-R85 HydrophobicContact CZ3-CG 3.49Å; W81-R85 VanDerWaalsContact CZ3-CG 3.49Å; W81-R85 PolarHBondContact O-N 3.33Å; W81-R85 VanDerWaalsContact O-N 3.09Å; A82-R85 PolarHBondContact O-N 3.1Å; L83-R85 VanDerWaalsContact C-N 3.34Å; L83-R85 PolarHBondContact O-N 3.3Å; R85-L87 VanDerWaalsContact C-N 3.34Å; R85-D88 IonicContact CZ-OD2 2.79Å; R85-D88 IonicContact NE-OD2 3.9Å; R85-D88 IonicContact NH2-OD2 3.76Å; R85-D88 PolarHBondContact NH2-OD2 3.42Å; R85-D88 PolarHBondContact O-N 3.37Å; R85-F89 PolarHBondContact O-N 3.16Å; R85-L95 HydrophobicContact CB-CD1 4.14Å; R85-E96 IonicContact CZ-OE2 2.71Å; R85-E96 IonicContact NH1-OE2 2.74Å; R85-E96 PolarHBondContact NH1-OE2 2.93Å; R85-I105 HydrophobicContact CB-CD1 4.14Å; R85-I105 HydrophobicContact CB-CG1 4.42Å; R85-I105 HydrophobicContact CG-CD1 4.11Å
86L96.9Very high93.9Very high1 Ų152.1 Ų52.11%0.00526%0.262CS..Hα-helixtrans-69.2-32175.5-69.1178000112.7A82 L83 F89 A90 L95 I105 A108 A109 L112 Y114 A117A82-L86 WeakPolarHBondContact O-CG 3.45Å; A82-L86 PolarHBondContact O-N 3.37Å; L83-L86 PolarHBondContact O-N 3.35Å; L86-F89 WeakPolarHBondContact O-CB 3.21Å; L86-F89 PolarHBondContact O-N 3.14Å; L86-A90 WeakPolarHBondContact O-CB 3.18Å; L86-A90 PolarHBondContact O-N 2.9Å; L86-L95 HydrophobicContact CD2-CD1 4.47Å; L86-I105 HydrophobicContact CD2-CG2 4.22Å; L86-A108 HydrophobicContact CD1-CB 3.6Å; L86-A109 HydrophobicContact CD1-CB 4.4Å; L86-A109 HydrophobicContact CD2-CB 4.06Å; L86-L112 HydrophobicContact CD1-CD1 4.06Å; L86-Y114 HydrophobicContact CB-CE2 4.44Å; L86-Y114 HydrophobicContact CD1-CD2 4.24Å; L86-Y114 HydrophobicContact CD2-CD2 4.27Å; L86-A117 HydrophobicContact CD2-CB 4.13Å
87L96.5Very high94.1Very high5 Ų549.4 Ų49.43%0.02625%0.247CC..Hα-helixtrans-67.6-43.3170.4-71.6176.2000111.1R26 L36 L43 L50 L83 R84 R85 F89 A90 Y91R26-L87 PolarHBondContact NH1-O 3.23Å; L36-L87 HydrophobicContact CD1-CD2 4.19Å; L43-L87 HydrophobicContact CB-CD1 4.06Å; L43-L87 HydrophobicContact CD1-CD1 3.83Å; L50-L87 HydrophobicContact CD2-CD2 3.62Å; L83-L87 HydrophobicContact CD1-CG 4.4Å; L83-L87 HydrophobicContact CG-CD1 4.36Å; L83-L87 WeakPolarHBondContact O-CB 3.39Å; L83-L87 VanDerWaalsContact O-CG 3.31Å; L83-L87 WeakPolarHBondContact O-CG 3.35Å; L83-L87 PolarHBondContact O-N 3.5Å; R84-L87 WeakPolarHBondContact O-CB 3.49Å; R84-L87 PolarHBondContact O-N 3.44Å; R85-L87 VanDerWaalsContact C-N 3.34Å; L87-F89 PolarHBondContact O-N 3.13Å; L87-A90 PolarHBondContact O-N 3.39Å; L87-Y91 HydrophobicContact CD2-CE2 4.48Å; L87-Y91 VanDerWaalsContact O-CD2 3.26Å; L87-Y91 WeakPolarHBondContact O-CD2 3.37Å; L87-Y91 PolarHBondContact O-N 2.87Å
88D94.5Very high94.3Very high30 Ų3041.8 Ų41.816%0.1623%0.225CC..Hα-helixtrans-58.1-40.5172.9-64.9-20.5000110.4R26 R84 R85 L92 C94R26-D88 IonicContact CZ-OD1 2.93Å; R26-D88 IonicContact NH1-OD1 3.7Å; R26-D88 IonicContact NH2-OD1 3.86Å; R26-D88 PolarHBondContact NH2-OD1 3.34Å; R84-D88 VanDerWaalsContact O-CG 3.24Å; R84-D88 PolarHBondContact O-N 3.04Å; R85-D88 IonicContact CZ-OD2 2.79Å; R85-D88 IonicContact NE-OD2 3.9Å; R85-D88 IonicContact NH2-OD2 3.76Å; R85-D88 PolarHBondContact NH2-OD2 3.42Å; R85-D88 PolarHBondContact O-N 3.37Å; D88-L92 WeakPolarHBondContact O-CA 3.14Å; D88-L92 VanDerWaalsContact O-CB 3.27Å; D88-L92 WeakPolarHBondContact O-CB 3.41Å; D88-L92 PolarHBondContact O-N 2.71Å; D88-C94 CarbonylContact C-O 3.53Å
89F96.4Very high94.1Very high37 Ų3747.7 Ų47.716%0.16225%0.252CS..Hα-helixtrans-63.9-46.9173.6179.6-110.3000112.8R85 L86 L87 Y91 G93 C94 L95 Y114 I116 A117R85-F89 PolarHBondContact O-N 3.16Å; L86-F89 WeakPolarHBondContact O-CB 3.21Å; L86-F89 PolarHBondContact O-N 3.14Å; L87-F89 PolarHBondContact O-N 3.13Å; F89-Y91 VanDerWaalsContact C-N 3.3Å; F89-Y91 PolarHBondContact O-N 3.38Å; F89-G93 WeakPolarHBondContact O-CA 3.17Å; F89-G93 PolarHBondContact O-N 2.84Å; F89-C94 VanDerWaalsContact CA-O 3.22Å; F89-C94 WeakPolarHBondContact CA-O 3.3Å; F89-C94 PolarHBondContact N-O 2.82Å; F89-C94 VanDerWaalsContact N-O 3.13Å; F89-L95 HydrophobicContact CB-CB 4.23Å; F89-L95 HydrophobicContact CB-CD1 4.23Å; F89-L95 HydrophobicContact CD2-CB 3.8Å; F89-L95 HydrophobicContact CG-CB 4.27Å; F89-Y114 HydrophobicContact CD1-CD1 4.01Å; F89-Y114 HydrophobicContact CD1-CE1 4.4Å; F89-Y114 AromaticContact CE1-CD1 3.97Å; F89-Y114 HydrophobicContact CE1-CD1 3.97Å; F89-I116 HydrophobicContact CE2-CG2 4.42Å; F89-I116 HydrophobicContact CZ-CB 3.97Å; F89-I116 HydrophobicContact CZ-CG2 3.86Å; F89-A117 HydrophobicContact CD1-CB 4.31Å; F89-A117 HydrophobicContact CE1-CB 4.15Å
90A96.1Very high94Very high20 Ų2050.4 Ų50.417%0.16528%0.277CS..Hα-helixtrans-63.9-33.4-179.800000113.1L86 L87 Y114L86-A90 WeakPolarHBondContact O-CB 3.18Å; L86-A90 PolarHBondContact O-N 2.9Å; L87-A90 PolarHBondContact O-N 3.39Å; A90-Y114 HydrophobicContact CB-CE1 4.38Å
91Y95.9Very high94Very high5 Ų549.7 Ų49.72%0.0227%0.272CS..Hα-helixtrans-92.7-38.3-177.8-81.5-103.8000113.6T19 L22 R26 H46 V49 L87 F89T19-Y91 VanDerWaalsContact CB-O 3.25Å; T19-Y91 WeakPolarHBondContact CB-O 3.19Å; L22-Y91 HydrophobicContact CB-CD1 4.01Å; L22-Y91 HydrophobicContact CB-CE1 4.15Å; R26-Y91 HydrophobicContact CB-CD1 4.44Å; R26-Y91 HydrophobicContact CB-CE1 3.96Å; R26-Y91 HydrophobicContact CG-CE1 4.4Å; H46-Y91 WeakPolarHBondContact CB-OH 3.22Å; H46-Y91 PolarHBondContact N-OH 3.32Å; H46-Y91 AromaticContact ND1-CE1 3.53Å; H46-Y91 AromaticContact ND1-CZ 3.61Å; H46-Y91 PolarHBondContact ND1-OH 3.14Å; V49-Y91 HydrophobicContact CB-CE1 4.23Å; V49-Y91 HydrophobicContact CB-CE2 4.16Å; V49-Y91 HydrophobicContact CG1-CD1 4.18Å; V49-Y91 HydrophobicContact CG1-CD2 3.83Å; V49-Y91 HydrophobicContact CG1-CE1 3.99Å; V49-Y91 HydrophobicContact CG1-CE2 3.63Å; V49-Y91 HydrophobicContact CG1-CG 4.11Å; V49-Y91 HydrophobicContact CG2-CE1 4.01Å; L87-Y91 HydrophobicContact CD2-CE2 4.48Å; L87-Y91 VanDerWaalsContact O-CD2 3.26Å; L87-Y91 WeakPolarHBondContact O-CD2 3.37Å; L87-Y91 PolarHBondContact O-N 2.87Å; F89-Y91 VanDerWaalsContact C-N 3.3Å; F89-Y91 PolarHBondContact O-N 3.38Å
92L92.9Very high94.2Very high77 Ų7745 Ų4540%0.40326%0.255SS..Hα-helixtrans-113.1-10.1-171.5-59.9175.1000113.5Q23 D88 C94Q23-L92 HydrophobicContact CB-CD2 3.72Å; Q23-L92 HydrophobicContact CB-CG 4.31Å; Q23-L92 HydrophobicContact CG-CD1 4.08Å; Q23-L92 HydrophobicContact CG-CD2 3.88Å; Q23-L92 HydrophobicContact CG-CG 4.12Å; D88-L92 WeakPolarHBondContact O-CA 3.14Å; D88-L92 VanDerWaalsContact O-CB 3.27Å; D88-L92 WeakPolarHBondContact O-CB 3.41Å; D88-L92 PolarHBondContact O-N 2.71Å; L92-C94 HydrophobicContact CB-CB 4.17Å; L92-C94 PolarHBondContact O-N 2.98Å
93G91.9Very high94.1Very high57 Ų5748.3 Ų48.359%0.58827%0.27SS*.SBendtrans67.613.7-169.900000113.3F89F89-G93 WeakPolarHBondContact O-CA 3.17Å; F89-G93 PolarHBondContact O-N 2.84Å
94C92Very high94Very high61 Ų6151.9 Ų51.941%0.41229%0.289SS..  trans-106.8124.6-176.6-1740000109.9D88 F89 L92D88-C94 CarbonylContact C-O 3.53Å; F89-C94 VanDerWaalsContact CA-O 3.22Å; F89-C94 WeakPolarHBondContact CA-O 3.3Å; F89-C94 PolarHBondContact N-O 2.82Å; F89-C94 VanDerWaalsContact N-O 3.13Å; L92-C94 HydrophobicContact CB-CB 4.17Å; L92-C94 PolarHBondContact O-N 2.98Å
95L95.5Very high94.1Very high20 Ų2046.8 Ų46.811%0.10527%0.27CS..  trans-127.1108.6177-175.962.5000109.2R85 L86 F89 I97 I105 A117 Y120R85-L95 HydrophobicContact CB-CD1 4.14Å; L86-L95 HydrophobicContact CD2-CD1 4.47Å; F89-L95 HydrophobicContact CB-CB 4.23Å; F89-L95 HydrophobicContact CB-CD1 4.23Å; F89-L95 HydrophobicContact CD2-CB 3.8Å; F89-L95 HydrophobicContact CG-CB 4.27Å; L95-I97 HydrophobicContact CD1-CG2 4.41Å; L95-I97 HydrophobicContact CD2-CG2 4.24Å; L95-I97 HydrophobicContact CG-CG2 3.86Å; L95-I105 HydrophobicContact CD1-CD1 4.49Å; L95-I105 HydrophobicContact CD1-CG2 4.04Å; L95-I105 HydrophobicContact CD2-CG2 4.37Å; L95-A117 HydrophobicContact CD2-CB 3.65Å; L95-Y120 HydrophobicContact CD2-CD1 4.1Å
96E92.8Very high94.2Very high118 Ų11844.3 Ų44.355%0.55126%0.261SS*.  trans-92.9120.4174.9-6617816500109.3R85R85-E96 IonicContact CZ-OE2 2.71Å; R85-E96 IonicContact NH1-OE2 2.74Å; R85-E96 PolarHBondContact NH1-OE2 2.93Å
97I94.3Very high94.1Very high22 Ų2247.6 Ų47.611%0.11328%0.278CS..  trans-124.4151.1179.264.9-177.4000110.2L95 I105 Y120 F124L95-I97 HydrophobicContact CD1-CG2 4.41Å; L95-I97 HydrophobicContact CD2-CG2 4.24Å; L95-I97 HydrophobicContact CG-CG2 3.86Å; I97-I105 HydrophobicContact CB-CD1 4.34Å; I97-I105 HydrophobicContact CG2-CD1 3.62Å; I97-I105 HydrophobicContact CG2-CG2 4.46Å; I97-Y120 HydrophobicContact CD1-CD1 3.55Å; I97-Y120 HydrophobicContact CD1-CE1 3.42Å; I97-Y120 VanDerWaalsContact CD1-CE1 3.42Å; I97-Y120 HydrophobicContact CG1-CD1 4.36Å; I97-Y120 HydrophobicContact CG1-CE1 3.85Å; I97-F124 HydrophobicContact CD1-CB 3.3Å; I97-F124 HydrophobicContact CD1-CD1 4.08Å; I97-F124 HydrophobicContact CD1-CD2 3.43Å; I97-F124 VanDerWaalsContact CD1-CD2 3.43Å; I97-F124 HydrophobicContact CD1-CE2 4.26Å; I97-F124 HydrophobicContact CD1-CG 3.32Å; I97-F124 HydrophobicContact CG1-CB 4.39Å; I97-F124 HydrophobicContact CG1-CD1 4.45Å; I97-F124 HydrophobicContact CG1-CD2 3.63Å; I97-F124 HydrophobicContact CG1-CE2 3.96Å; I97-F124 HydrophobicContact CG1-CG 3.9Å
98T93Very high94.1Very high73 Ų7347.5 Ų47.545%0.44828%0.278SS..  trans-137.6165176.368.80000108.9A100 T101 V102T98-A100 PolarHBondContact O-N 2.9Å; T98-T101 PolarHBondContact N-OG1 3.48Å; T98-T101 PolarHBondContact O-N 2.6Å; T98-T101 PolarHBondContact O-OG1 3.04Å; T98-T101 VanDerWaalsContact OG1-CG2 3.3Å; T98-T101 WeakPolarHBondContact OG1-CG2 3.35Å; T98-T101 PolarHBondContact OG1-N 3.34Å; T98-T101 PolarHBondContact OG1-OG1 3.36Å; T98-V102 WeakPolarHBondContact O-CB 3.46Å; T98-V102 PolarHBondContact O-N 3.38Å
99E89.7Confident94.2Very high135 Ų13546.1 Ų46.163%0.63127%0.271SS*.THydrogen-bonded Turntrans-54.3-40.6176.9-68.7173.6-160.900112.6T101 F124 H128E99-T101 VanDerWaalsContact C-N 3.28Å; E99-T101 PolarHBondContact O-N 2.87Å; E99-F124 HydrophobicContact CG-CE1 4.25Å; E99-F124 HydrophobicContact CG-CZ 4.29Å; E99-H128 HydrophobicContact CG-CB 4.43Å; E99-H128 IonicContact OE1-CD2 3.35Å; E99-H128 PolarHBondContact OE1-CD2 3.5Å
100A89.6Confident94.2Very high94 Ų9445.8 Ų45.878%0.77727%0.273SS*.THydrogen-bonded Turntrans-72.7-19.1-179.700000113.8T98T98-A100 PolarHBondContact O-N 2.9Å
101T92Very high94.1Very high21 Ų2149 Ų4913%0.12929%0.287CS..THydrogen-bonded Turntrans-118.4-11.6-168.367.40000114.2W81 T98 E99 Q103 D104 I105W81-T101 HydrophobicContact CE3-CG2 4.23Å; W81-T101 HydrophobicContact CH2-CG2 3.43Å; W81-T101 VanDerWaalsContact CH2-CG2 3.43Å; W81-T101 WeakPolarHBondContact CH2-OG1 3.44Å; W81-T101 HydrophobicContact CZ2-CG2 3.94Å; W81-T101 HydrophobicContact CZ3-CG2 3.61Å; T98-T101 PolarHBondContact N-OG1 3.48Å; T98-T101 PolarHBondContact O-N 2.6Å; T98-T101 PolarHBondContact O-OG1 3.04Å; T98-T101 VanDerWaalsContact OG1-CG2 3.3Å; T98-T101 WeakPolarHBondContact OG1-CG2 3.35Å; T98-T101 PolarHBondContact OG1-N 3.34Å; T98-T101 PolarHBondContact OG1-OG1 3.36Å; E99-T101 VanDerWaalsContact C-N 3.28Å; E99-T101 PolarHBondContact O-N 2.87Å; T101-Q103 VanDerWaalsContact C-N 3.33Å; T101-Q103 PolarHBondContact O-N 3.4Å; T101-D104 PolarHBondContact O-N 3.34Å; T101-I105 WeakPolarHBondContact O-CG1 3.35Å; T101-I105 PolarHBondContact O-N 3.07Å; T101-I105 VanDerWaalsContact O-N 3.16Å
102V95.1Very high94.2Very high8 Ų848.7 Ų48.75%0.04829%0.286CS..Hα-helixtrans-62.5-38.6-173.764.20000112.4T98 I105 F106 C121 F124 M125T98-V102 WeakPolarHBondContact O-CB 3.46Å; T98-V102 PolarHBondContact O-N 3.38Å; V102-I105 PolarHBondContact O-N 3.27Å; V102-F106 WeakPolarHBondContact O-CB 3.31Å; V102-F106 PolarHBondContact O-N 2.94Å; V102-C121 HydrophobicContact CG2-CB 3.89Å; V102-F124 HydrophobicContact CB-CD1 3.96Å; V102-F124 HydrophobicContact CB-CE1 4.22Å; V102-F124 HydrophobicContact CG1-CD1 4.2Å; V102-F124 HydrophobicContact CG1-CE1 4.29Å; V102-F124 HydrophobicContact CG2-CB 4.48Å; V102-F124 HydrophobicContact CG2-CD1 3.8Å; V102-F124 HydrophobicContact CG2-CG 4.47Å; V102-M125 HydrophobicContact CG1-CG 3.98Å; V102-M125 HydrophobicContact CG2-CG 3.8Å; V102-M125 HydrophobicContact CG2-SD 4.44Å
103Q94Very high94.3Very high68 Ų6848.5 Ų48.532%0.31829%0.285SS..Hα-helixtrans-65.3-47.2-179.6-62.9-172.88.800111.7T101 I105 F106 L107 L140T101-Q103 VanDerWaalsContact C-N 3.33Å; T101-Q103 PolarHBondContact O-N 3.4Å; Q103-I105 VanDerWaalsContact C-N 3.35Å; Q103-I105 PolarHBondContact O-N 3.44Å; Q103-F106 PolarHBondContact O-N 2.92Å; Q103-L107 WeakPolarHBondContact O-CG 3.33Å; Q103-L107 PolarHBondContact O-N 3.03Å; Q103-L140 HydrophobicContact CB-CD1 4.02Å; Q103-L140 VanDerWaalsContact CD-CD1 3.5Å; Q103-L140 HydrophobicContact CG-CD1 3.58Å
104D94.7Very high94.6Very high77 Ų7746 Ų4641%0.41226%0.258SS..Hα-helixtrans-60-43.3177-77.4-3.9000112.2A82 T101 A108A82-D104 HydrophobicContact CB-CB 4.15Å; T101-D104 PolarHBondContact O-N 3.34Å; D104-A108 VanDerWaalsContact O-CB 3.3Å; D104-A108 WeakPolarHBondContact O-CB 3.3Å; D104-A108 PolarHBondContact O-N 2.86Å
105I97Very high94.7Very high0 Ų047 Ų470%026%0.264CS..Hα-helixtrans-65.9-43.4176.9-65.8173.2000110.3W81 A82 R85 L86 L95 I97 T101 V102 Q103 A108 A109W81-I105 HydrophobicContact CH2-CD1 3.91Å; W81-I105 HydrophobicContact CZ3-CD1 3.58Å; W81-I105 HydrophobicContact CZ3-CG1 3.75Å; A82-I105 HydrophobicContact CB-CG1 4.27Å; R85-I105 HydrophobicContact CB-CD1 4.14Å; R85-I105 HydrophobicContact CB-CG1 4.42Å; R85-I105 HydrophobicContact CG-CD1 4.11Å; L86-I105 HydrophobicContact CD2-CG2 4.22Å; L95-I105 HydrophobicContact CD1-CD1 4.49Å; L95-I105 HydrophobicContact CD1-CG2 4.04Å; L95-I105 HydrophobicContact CD2-CG2 4.37Å; I97-I105 HydrophobicContact CB-CD1 4.34Å; I97-I105 HydrophobicContact CG2-CD1 3.62Å; I97-I105 HydrophobicContact CG2-CG2 4.46Å; T101-I105 WeakPolarHBondContact O-CG1 3.35Å; T101-I105 PolarHBondContact O-N 3.07Å; T101-I105 VanDerWaalsContact O-N 3.16Å; V102-I105 PolarHBondContact O-N 3.27Å; Q103-I105 VanDerWaalsContact C-N 3.35Å; Q103-I105 PolarHBondContact O-N 3.44Å; I105-A108 PolarHBondContact O-N 3.16Å; I105-A109 WeakPolarHBondContact O-CB 3.44Å; I105-A109 PolarHBondContact O-N 3.46Å
106F96.5Very high94.8Very high2 Ų251.9 Ų51.91%0.00929%0.289CS..Hα-helixtrans-61.8-45.5179.7171.9-93.8000111.9V102 Q103 A109 S110 I118 C121 V122 M125 H144 I146V102-F106 WeakPolarHBondContact O-CB 3.31Å; V102-F106 PolarHBondContact O-N 2.94Å; Q103-F106 PolarHBondContact O-N 2.92Å; F106-A109 PolarHBondContact O-N 3.22Å; F106-S110 WeakPolarHBondContact O-CB 3.14Å; F106-S110 PolarHBondContact O-N 3.42Å; F106-S110 PolarHBondContact O-OG 2.9Å; F106-I118 HydrophobicContact CD2-CG2 4.23Å; F106-I118 HydrophobicContact CE2-CG2 3.73Å; F106-C121 HydrophobicContact CB-CB 3.96Å; F106-C121 HydrophobicContact CD2-CB 3.96Å; F106-C121 HydrophobicContact CG-CB 4.44Å; F106-V122 HydrophobicContact CD2-CG2 4.29Å; F106-V122 HydrophobicContact CE2-CG2 3.75Å; F106-M125 HydrophobicContact CB-CE 4.49Å; F106-M125 HydrophobicContact CD2-CE 3.81Å; F106-M125 HydrophobicContact CE2-CE 4.14Å; F106-M125 HydrophobicContact CG-CE 4.03Å; F106-H144 HydrophobicContact CE1-CB 4.35Å; F106-H144 AromaticContact CE1-CD2 3.5Å; F106-H144 VanDerWaalsContact CE1-CD2 3.5Å; F106-H144 WeakPolarHBondContact CE1-CD2 3.23Å; F106-H144 AromaticContact CE1-CG 3.71Å; F106-H144 AromaticContact CE1-NE2 3.7Å; F106-H144 HydrophobicContact CZ-CB 3.95Å; F106-H144 AromaticContact CZ-CD2 4Å; F106-H144 AromaticContact CZ-CG 3.73Å; F106-I146 HydrophobicContact CE2-CD1 3.75Å; F106-I146 HydrophobicContact CZ-CD1 3.58Å
107L95.6Very high95Very high70 Ų7046.3 Ų46.337%0.36626%0.262SS..Hα-helixtrans-63.2-45.9176.8-70.6173.6000111.2Q103 S110 L111 L140Q103-L107 WeakPolarHBondContact O-CG 3.33Å; Q103-L107 PolarHBondContact O-N 3.03Å; L107-S110 PolarHBondContact O-N 3.16Å; L107-L111 WeakPolarHBondContact O-CB 3.5Å; L107-L111 PolarHBondContact O-N 2.97Å; L107-L140 HydrophobicContact CD2-CD2 3.92Å; L107-L140 HydrophobicContact CG-CD2 4.41Å
108A96.4Very high95Very high3 Ų347 Ų473%0.02527%0.266CS..Hα-helixtrans-63.7-41.7176.600000112.2I78 A82 L86 D104 I105 S110 L111 L112I78-A108 HydrophobicContact CG2-CB 3.81Å; A82-A108 HydrophobicContact CB-CB 4Å; L86-A108 HydrophobicContact CD1-CB 3.6Å; D104-A108 VanDerWaalsContact O-CB 3.3Å; D104-A108 WeakPolarHBondContact O-CB 3.3Å; D104-A108 PolarHBondContact O-N 2.86Å; I105-A108 PolarHBondContact O-N 3.16Å; A108-S110 VanDerWaalsContact C-N 3.33Å; A108-S110 PolarHBondContact O-N 2.77Å; A108-L111 PolarHBondContact O-N 3.4Å; A108-L112 VanDerWaalsContact O-CB 3.31Å; A108-L112 WeakPolarHBondContact O-CB 3.46Å; A108-L112 WeakPolarHBondContact O-CG 3.21Å; A108-L112 PolarHBondContact O-N 2.94Å
109A96.8Very high95.2Very high0 Ų050.4 Ų50.40%028%0.275CS..Hα-helixtrans-65.7-37.217800000111.6L86 I105 F106 D113 Y114 A117 I118L86-A109 HydrophobicContact CD1-CB 4.4Å; L86-A109 HydrophobicContact CD2-CB 4.06Å; I105-A109 WeakPolarHBondContact O-CB 3.44Å; I105-A109 PolarHBondContact O-N 3.46Å; F106-A109 PolarHBondContact O-N 3.22Å; A109-D113 WeakPolarHBondContact O-CA 3.36Å; A109-D113 PolarHBondContact O-N 3.23Å; A109-Y114 PolarHBondContact O-N 3.49Å; A109-A117 HydrophobicContact CB-CB 4.03Å; A109-I118 HydrophobicContact CB-CG1 3.8Å
110S95.6Very high95.5Very high30 Ų3049.9 Ų49.921%0.2127%0.268CS..Hα-helixtrans-67.5-43.5175.2-61.10000111.9F106 L107 A108 H144F106-S110 WeakPolarHBondContact O-CB 3.14Å; F106-S110 PolarHBondContact O-N 3.42Å; F106-S110 PolarHBondContact O-OG 2.9Å; L107-S110 PolarHBondContact O-N 3.16Å; A108-S110 VanDerWaalsContact C-N 3.33Å; A108-S110 PolarHBondContact O-N 2.77Å; S110-H144 VanDerWaalsContact CB-CE1 3.42Å; S110-H144 WeakPolarHBondContact CB-CE1 3.46Å; S110-H144 PolarHBondContact OG-CE1 3.01Å
111L95.6Very high95.9Very high87 Ų8745.4 Ų45.446%0.45523%0.231SC..Hα-helixtrans-68.4-39.4178.6-179.159.1000112.6I78 L107 A108I78-L111 HydrophobicContact CD1-CD2 3.83Å; I78-L111 HydrophobicContact CD1-CG 4.43Å; I78-L111 HydrophobicContact CG1-CD2 3.75Å; L107-L111 WeakPolarHBondContact O-CB 3.5Å; L107-L111 PolarHBondContact O-N 2.97Å; A108-L111 PolarHBondContact O-N 3.4Å
112L96.5Very high96.1Very high0 Ų045.6 Ų45.60%023%0.232CC..THydrogen-bonded Turntrans-91.76.1-178.9-60.6179.4000113.6S54 Y56 F57 L75 I78 L83 L86 A108 Y114S54-L112 WeakPolarHBondContact CB-O 3.35Å; S54-L112 PolarHBondContact OG-O 2.83Å; Y56-L112 WeakPolarHBondContact CB-O 3.42Å; Y56-L112 HydrophobicContact CD1-CD2 3.71Å; Y56-L112 HydrophobicContact CE1-CD2 3.61Å; Y56-L112 HydrophobicContact CG-CD2 4.46Å; F57-L112 HydrophobicContact CE1-CD2 4.4Å; F57-L112 HydrophobicContact CE2-CB 4.5Å; F57-L112 HydrophobicContact CE2-CD1 4.27Å; F57-L112 HydrophobicContact CE2-CD2 4.3Å; F57-L112 HydrophobicContact CZ-CD1 4.13Å; F57-L112 HydrophobicContact CZ-CD2 3.82Å; F57-L112 HydrophobicContact CZ-CG 4.48Å; L75-L112 HydrophobicContact CD1-CD2 4.32Å; L75-L112 HydrophobicContact CD2-CD2 4.09Å; I78-L112 HydrophobicContact CD1-CD1 3.66Å; I78-L112 HydrophobicContact CD1-CD2 3.73Å; I78-L112 HydrophobicContact CD1-CG 3.59Å; L83-L112 HydrophobicContact CD1-CD1 3.95Å; L86-L112 HydrophobicContact CD1-CD1 4.06Å; A108-L112 VanDerWaalsContact O-CB 3.31Å; A108-L112 WeakPolarHBondContact O-CB 3.46Å; A108-L112 WeakPolarHBondContact O-CG 3.21Å; A108-L112 PolarHBondContact O-N 2.94Å; L112-Y114 HydrophobicContact CB-CD2 3.82Å; L112-Y114 HydrophobicContact CB-CE2 3.83Å; L112-Y114 HydrophobicContact CD1-CE2 4.42Å
113D96.1Very high96.1Very high72 Ų7250.4 Ų50.439%0.38525%0.254SS..THydrogen-bonded Turntrans55.262.5177.5-167.727.9000114.6A55 A109 P115A55-D113 VanDerWaalsContact CB-OD2 3.29Å; A55-D113 WeakPolarHBondContact CB-OD2 3.47Å; A109-D113 WeakPolarHBondContact O-CA 3.36Å; A109-D113 PolarHBondContact O-N 3.23Å; D113-P115 VanDerWaalsContact C-CD 3.49Å; D113-P115 VanDerWaalsContact O-CD 3.25Å; D113-P115 WeakPolarHBondContact O-CD 3.44Å
114Y97.4Very high96.3Very high5 Ų548.7 Ų48.72%0.0225%0.245CC..  trans-109.577.6172.7-77-75.3000111.6S53 F57 L86 F89 A90 A109 L112 I116 A117 I118S53-Y114 WeakPolarHBondContact O-CE1 3.36Å; S53-Y114 WeakPolarHBondContact OG-CE1 3.3Å; S53-Y114 PolarHBondContact OG-OH 3.47Å; F57-Y114 HydrophobicContact CE2-CE2 4.32Å; L86-Y114 HydrophobicContact CB-CE2 4.44Å; L86-Y114 HydrophobicContact CD1-CD2 4.24Å; L86-Y114 HydrophobicContact CD2-CD2 4.27Å; F89-Y114 HydrophobicContact CD1-CD1 4.01Å; F89-Y114 HydrophobicContact CD1-CE1 4.4Å; F89-Y114 AromaticContact CE1-CD1 3.97Å; F89-Y114 HydrophobicContact CE1-CD1 3.97Å; A90-Y114 HydrophobicContact CB-CE1 4.38Å; A109-Y114 PolarHBondContact O-N 3.49Å; L112-Y114 HydrophobicContact CB-CD2 3.82Å; L112-Y114 HydrophobicContact CB-CE2 3.83Å; L112-Y114 HydrophobicContact CD1-CE2 4.42Å; Y114-I116 VanDerWaalsContact C-N 3.31Å; Y114-I116 PolarHBondContact O-N 3.34Å; Y114-A117 WeakPolarHBondContact O-CB 3.25Å; Y114-A117 PolarHBondContact O-N 2.89Å; Y114-I118 WeakPolarHBondContact O-CG1 3.41Å; Y114-I118 PolarHBondContact O-N 3.17Å
115P95.5Very high96.4Very high83 Ų8345.2 Ų45.254%0.53923%0.226SC..Hα-helixtrans-60.3-33.1-170.921.9-34.2000114.7D113 K119D113-P115 VanDerWaalsContact C-CD 3.49Å; D113-P115 VanDerWaalsContact O-CD 3.25Å; D113-P115 WeakPolarHBondContact O-CD 3.44Å; P115-K119 WeakPolarHBondContact O-CB 3.38Å; P115-K119 PolarHBondContact O-N 3.29Å
116I96Very high96.3Very high122 Ų12249.9 Ų49.963%0.62625%0.247SC*.Hα-helixtrans-68.8-41.3176.5-61.2173.5000110.7F89 Y114 K119 Y120F89-I116 HydrophobicContact CE2-CG2 4.42Å; F89-I116 HydrophobicContact CZ-CB 3.97Å; F89-I116 HydrophobicContact CZ-CG2 3.86Å; Y114-I116 VanDerWaalsContact C-N 3.31Å; Y114-I116 PolarHBondContact O-N 3.34Å; I116-K119 PolarHBondContact O-N 3.01Å; I116-Y120 PolarHBondContact O-N 2.95Å
117A96.7Very high96.2Very high0 Ų053.8 Ų53.80%028%0.275CS..Hα-helixtrans-66.9-42.2176.400000111.1L86 F89 L95 A109 Y114 K119 Y120 C121L86-A117 HydrophobicContact CD2-CB 4.13Å; F89-A117 HydrophobicContact CD1-CB 4.31Å; F89-A117 HydrophobicContact CE1-CB 4.15Å; L95-A117 HydrophobicContact CD2-CB 3.65Å; A109-A117 HydrophobicContact CB-CB 4.03Å; Y114-A117 WeakPolarHBondContact O-CB 3.25Å; Y114-A117 PolarHBondContact O-N 2.89Å; A117-K119 PolarHBondContact O-N 3.39Å; A117-Y120 PolarHBondContact O-N 2.99Å; A117-C121 PolarHBondContact O-N 2.85Å; A117-C121 PolarHBondContact O-SG 3.45Å
118I96.4Very high96.2Very high38 Ų3853.9 Ų53.920%0.19527%0.273CS..Hα-helixtrans-55.6-52.7173.6-64.4170.3000109.9F106 A109 Y114 Y120 C121 V122F106-I118 HydrophobicContact CD2-CG2 4.23Å; F106-I118 HydrophobicContact CE2-CG2 3.73Å; A109-I118 HydrophobicContact CB-CG1 3.8Å; Y114-I118 WeakPolarHBondContact O-CG1 3.41Å; Y114-I118 PolarHBondContact O-N 3.17Å; I118-Y120 VanDerWaalsContact C-N 3.3Å; I118-Y120 PolarHBondContact O-N 2.86Å; I118-C121 PolarHBondContact O-N 3.32Å; I118-V122 HydrophobicContact CG2-CG2 4.47Å; I118-V122 WeakPolarHBondContact O-CG2 3.29Å; I118-V122 PolarHBondContact O-N 2.97Å
119K95.9Very high96.1Very high143 Ų14355.6 Ų55.662%0.62228%0.281SS*.Hα-helixtrans-56.3-44.2178.2-175.7179.1178.8179.30111.9P115 I116 A117 V122 E123P115-K119 WeakPolarHBondContact O-CB 3.38Å; P115-K119 PolarHBondContact O-N 3.29Å; I116-K119 PolarHBondContact O-N 3.01Å; A117-K119 PolarHBondContact O-N 3.39Å; K119-V122 PolarHBondContact O-N 3.24Å; K119-E123 WeakPolarHBondContact O-CG 3.5Å; K119-E123 PolarHBondContact O-N 3.48Å
120Y96.6Very high96Very high125 Ų12559 Ų5949%0.4930%0.3SS..Hα-helixtrans-65-40.6179.1-169.9-115.3000112.5L95 I97 I116 A117 I118 E123 F124L95-Y120 HydrophobicContact CD2-CD1 4.1Å; I97-Y120 HydrophobicContact CD1-CD1 3.55Å; I97-Y120 HydrophobicContact CD1-CE1 3.42Å; I97-Y120 VanDerWaalsContact CD1-CE1 3.42Å; I97-Y120 HydrophobicContact CG1-CD1 4.36Å; I97-Y120 HydrophobicContact CG1-CE1 3.85Å; I116-Y120 PolarHBondContact O-N 2.95Å; A117-Y120 PolarHBondContact O-N 2.99Å; I118-Y120 VanDerWaalsContact C-N 3.3Å; I118-Y120 PolarHBondContact O-N 2.86Å; Y120-E123 PolarHBondContact O-N 3.34Å; Y120-F124 WeakPolarHBondContact O-CB 3.44Å; Y120-F124 PolarHBondContact O-N 3.17Å
121C97Very high95.9Very high0 Ų058.3 Ų58.30%029%0.294CS..Hα-helixtrans-64.2-39.9175.1-64.40000111.9V102 F106 A117 I118 F124 M125V102-C121 HydrophobicContact CG2-CB 3.89Å; F106-C121 HydrophobicContact CB-CB 3.96Å; F106-C121 HydrophobicContact CD2-CB 3.96Å; F106-C121 HydrophobicContact CG-CB 4.44Å; A117-C121 PolarHBondContact O-N 2.85Å; A117-C121 PolarHBondContact O-SG 3.45Å; I118-C121 PolarHBondContact O-N 3.32Å; C121-F124 WeakPolarHBondContact O-CB 3.33Å; C121-F124 PolarHBondContact O-N 3.01Å; C121-M125 WeakPolarHBondContact O-CG 3.39Å; C121-M125 PolarHBondContact O-N 3.07Å
122V96.5Very high95.7Very high24 Ų2457.1 Ų57.115%0.14529%0.29CS..Hα-helixtrans-63.8-45.8177.41710000111.6F106 I118 K119 F124 M125 K126 I146 L149F106-V122 HydrophobicContact CD2-CG2 4.29Å; F106-V122 HydrophobicContact CE2-CG2 3.75Å; I118-V122 HydrophobicContact CG2-CG2 4.47Å; I118-V122 WeakPolarHBondContact O-CG2 3.29Å; I118-V122 PolarHBondContact O-N 2.97Å; K119-V122 PolarHBondContact O-N 3.24Å; V122-F124 VanDerWaalsContact C-N 3.28Å; V122-F124 PolarHBondContact O-N 3.3Å; V122-M125 HydrophobicContact CG2-CE 4.22Å; V122-M125 PolarHBondContact O-N 2.65Å; V122-K126 WeakPolarHBondContact O-CB 3.45Å; V122-K126 PolarHBondContact O-N 2.92Å; V122-I146 HydrophobicContact CG1-CG2 4.14Å; V122-I146 HydrophobicContact CG2-CD1 3.65Å; V122-L149 HydrophobicContact CG1-CD2 4.3Å
123E96.2Very high95.5Very high109 Ų10958.7 Ų58.751%0.50930%0.299SS..Hα-helixtrans-62.5-36.9175.3-67.6-66.3157.400111.8K119 Y120 S127K119-E123 WeakPolarHBondContact O-CG 3.5Å; K119-E123 PolarHBondContact O-N 3.48Å; Y120-E123 PolarHBondContact O-N 3.34Å; E123-S127 WeakPolarHBondContact O-CB 3.5Å; E123-S127 PolarHBondContact O-N 2.99Å; E123-S127 PolarHBondContact O-OG 2.76Å
124F96.8Very high95.4Very high32 Ų3255.2 Ų55.214%0.1428%0.281CS..Hα-helixtrans-66.4-48.9175.1-174.7-86.5000112.3I97 E99 V102 Y120 C121 V122 K126 S127 H128I97-F124 HydrophobicContact CD1-CB 3.3Å; I97-F124 HydrophobicContact CD1-CD1 4.08Å; I97-F124 HydrophobicContact CD1-CD2 3.43Å; I97-F124 VanDerWaalsContact CD1-CD2 3.43Å; I97-F124 HydrophobicContact CD1-CE2 4.26Å; I97-F124 HydrophobicContact CD1-CG 3.32Å; I97-F124 HydrophobicContact CG1-CB 4.39Å; I97-F124 HydrophobicContact CG1-CD1 4.45Å; I97-F124 HydrophobicContact CG1-CD2 3.63Å; I97-F124 HydrophobicContact CG1-CE2 3.96Å; I97-F124 HydrophobicContact CG1-CG 3.9Å; E99-F124 HydrophobicContact CG-CE1 4.25Å; E99-F124 HydrophobicContact CG-CZ 4.29Å; V102-F124 HydrophobicContact CB-CD1 3.96Å; V102-F124 HydrophobicContact CB-CE1 4.22Å; V102-F124 HydrophobicContact CG1-CD1 4.2Å; V102-F124 HydrophobicContact CG1-CE1 4.29Å; V102-F124 HydrophobicContact CG2-CB 4.48Å; V102-F124 HydrophobicContact CG2-CD1 3.8Å; V102-F124 HydrophobicContact CG2-CG 4.47Å; Y120-F124 WeakPolarHBondContact O-CB 3.44Å; Y120-F124 PolarHBondContact O-N 3.17Å; C121-F124 WeakPolarHBondContact O-CB 3.33Å; C121-F124 PolarHBondContact O-N 3.01Å; V122-F124 VanDerWaalsContact C-N 3.28Å; V122-F124 PolarHBondContact O-N 3.3Å; F124-K126 VanDerWaalsContact C-N 3.29Å; F124-K126 PolarHBondContact O-N 3.49Å; F124-S127 WeakPolarHBondContact CA-OG 3.38Å; F124-S127 PolarHBondContact O-N 3.15Å; F124-S127 VanDerWaalsContact O-N 3.17Å; F124-S127 PolarHBondContact O-OG 3.43Å; F124-H128 AromaticContact CD2-CE1 3.73Å; F124-H128 AromaticContact CD2-ND1 3.87Å; F124-H128 HydrophobicContact CE1-CB 4.46Å; F124-H128 AromaticContact CE1-ND1 3.97Å; F124-H128 AromaticContact CE2-CE1 3.41Å; F124-H128 VanDerWaalsContact CE2-CE1 3.41Å; F124-H128 WeakPolarHBondContact CE2-CE1 3.45Å; F124-H128 AromaticContact CE2-ND1 3.78Å; F124-H128 AromaticContact CE2-NE2 3.86Å; F124-H128 AromaticContact CZ-CE1 3.75Å; F124-H128 AromaticContact CZ-ND1 3.83Å; F124-H128 AromaticContact CZ-NE2 3.91Å; F124-H128 PolarHBondContact O-N 2.98Å; F124-H128 PolarHBondContact O-ND1 2.91Å
125M97.1Very high95.3Very high4 Ų455.1 Ų55.12%0.0228%0.28CS..Hα-helixtrans-59.3-41.2176.3-73.4-175.6-68.100111.2V102 F106 C121 V122 S127 H128 L129 I137 L149V102-M125 HydrophobicContact CG1-CG 3.98Å; V102-M125 HydrophobicContact CG2-CG 3.8Å; V102-M125 HydrophobicContact CG2-SD 4.44Å; F106-M125 HydrophobicContact CB-CE 4.49Å; F106-M125 HydrophobicContact CD2-CE 3.81Å; F106-M125 HydrophobicContact CE2-CE 4.14Å; F106-M125 HydrophobicContact CG-CE 4.03Å; C121-M125 WeakPolarHBondContact O-CG 3.39Å; C121-M125 PolarHBondContact O-N 3.07Å; V122-M125 HydrophobicContact CG2-CE 4.22Å; V122-M125 PolarHBondContact O-N 2.65Å; M125-S127 VanDerWaalsContact C-N 3.33Å; M125-S127 PolarHBondContact O-N 3.23Å; M125-H128 CarbonylContact O-C 3.53Å; M125-H128 PolarHBondContact O-N 3.02Å; M125-L129 WeakPolarHBondContact O-CA 3.42Å; M125-L129 WeakPolarHBondContact O-CB 3.33Å; M125-L129 PolarHBondContact O-N 2.84Å; M125-I137 HydrophobicContact CB-CD1 4.23Å; M125-I137 HydrophobicContact CB-CG2 4.46Å; M125-I137 HydrophobicContact CG-CD1 4.48Å; M125-I137 HydrophobicContact SD-CG1 4.47Å; M125-L149 HydrophobicContact CB-CD2 4.28Å; M125-L149 HydrophobicContact CE-CD2 4Å
126K95.4Very high95.2Very high98 Ų9851.8 Ų51.843%0.42626%0.261SS..Hα-helixtrans-64.8-35.2177.3-168.9173-175.8173.40113.1V122 F124 L149V122-K126 WeakPolarHBondContact O-CB 3.45Å; V122-K126 PolarHBondContact O-N 2.92Å; F124-K126 VanDerWaalsContact C-N 3.29Å; F124-K126 PolarHBondContact O-N 3.49Å; K126-L149 HydrophobicContact CB-CD1 4.12Å
127S95.3Very high95.1Very high85 Ų8546.3 Ų46.359%0.59423%0.233SC*.Hα-helixtrans-81.5-18.9179.350.80000114.2E123 F124 M125E123-S127 WeakPolarHBondContact O-CB 3.5Å; E123-S127 PolarHBondContact O-N 2.99Å; E123-S127 PolarHBondContact O-OG 2.76Å; F124-S127 WeakPolarHBondContact CA-OG 3.38Å; F124-S127 PolarHBondContact O-N 3.15Å; F124-S127 VanDerWaalsContact O-N 3.17Å; F124-S127 PolarHBondContact O-OG 3.43Å; M125-S127 VanDerWaalsContact C-N 3.33Å; M125-S127 PolarHBondContact O-N 3.23Å
128H94.7Very high95Very high72 Ų7246.8 Ų46.833%0.33324%0.235SC..THydrogen-bonded Turntrans-11622.3178.4-59.873.2000111.9E99 F124 M125 D130 N133E99-H128 HydrophobicContact CG-CB 4.43Å; E99-H128 IonicContact OE1-CD2 3.35Å; E99-H128 PolarHBondContact OE1-CD2 3.5Å; F124-H128 AromaticContact CD2-CE1 3.73Å; F124-H128 AromaticContact CD2-ND1 3.87Å; F124-H128 HydrophobicContact CE1-CB 4.46Å; F124-H128 AromaticContact CE1-ND1 3.97Å; F124-H128 AromaticContact CE2-CE1 3.41Å; F124-H128 VanDerWaalsContact CE2-CE1 3.41Å; F124-H128 WeakPolarHBondContact CE2-CE1 3.45Å; F124-H128 AromaticContact CE2-ND1 3.78Å; F124-H128 AromaticContact CE2-NE2 3.86Å; F124-H128 AromaticContact CZ-CE1 3.75Å; F124-H128 AromaticContact CZ-ND1 3.83Å; F124-H128 AromaticContact CZ-NE2 3.91Å; F124-H128 PolarHBondContact O-N 2.98Å; F124-H128 PolarHBondContact O-ND1 2.91Å; M125-H128 CarbonylContact O-C 3.53Å; M125-H128 PolarHBondContact O-N 3.02Å; H128-D130 PolarHBondContact O-N 3.37Å; H128-N133 PolarHBondContact O-ND2 3.17Å
129L94.7Very high94.9Very high38 Ų3847.3 Ų47.320%0.19925%0.245CC..  trans-69.5125.4177.3-177.366.1000109.2M125 C134 I137 S153 L156M125-L129 WeakPolarHBondContact O-CA 3.42Å; M125-L129 WeakPolarHBondContact O-CB 3.33Å; M125-L129 PolarHBondContact O-N 2.84Å; L129-C134 HydrophobicContact CD1-CB 4Å; L129-I137 HydrophobicContact CD1-CB 4.21Å; L129-I137 HydrophobicContact CD1-CD1 3.79Å; L129-I137 HydrophobicContact CD1-CG2 4.15Å; L129-S153 WeakPolarHBondContact CD1-OG 3.46Å; L129-L156 HydrophobicContact CD1-CD2 4.49Å; L129-L156 HydrophobicContact CD2-CD2 4.2Å; L129-L156 HydrophobicContact CG-CD2 3.76Å
130D93.9Very high94.8Very high73 Ų7341.5 Ų41.539%0.3922%0.221SC..  trans-142.1163.4-174.9-17946.8000111H128 T132 N133 C134H128-D130 PolarHBondContact O-N 3.37Å; D130-T132 PolarHBondContact O-N 3.22Å; D130-T132 PolarHBondContact OD2-N 3.2Å; D130-T132 PolarHBondContact OD2-OG1 2.75Å; D130-N133 PolarHBondContact N-OD1 3.07Å; D130-N133 PolarHBondContact O-N 3.04Å; D130-N133 VanDerWaalsContact O-N 3.15Å; D130-N133 PolarHBondContact O-OD1 3.27Å; D130-C134 VanDerWaalsContact O-CB 3.32Å; D130-C134 WeakPolarHBondContact O-CB 3.48Å; D130-C134 PolarHBondContact O-N 3.25Å
131V93.1Very high94.7Very high14 Ų1435.6 Ų35.69%0.08520%0.198CC..THydrogen-bonded Turntrans-57.8-31.5179.5178.60000112.1C134 N160 L164V131-C134 PolarHBondContact O-SG 3.21Å; V131-N160 HydrophobicContact CG1-CB 4.44Å; V131-N160 HydrophobicContact CG2-CB 3.76Å; V131-L164 VanDerWaalsContact CG1-CA 3.47Å; V131-L164 HydrophobicContact CG1-CB 3.82Å
132T91.9Very high94.6Very high62 Ų6240.9 Ų40.938%0.3822%0.223SC..THydrogen-bonded Turntrans-73.9-25.7-179.456.60000114D130 E167D130-T132 PolarHBondContact O-N 3.22Å; D130-T132 PolarHBondContact OD2-N 3.2Å; D130-T132 PolarHBondContact OD2-OG1 2.75Å; T132-E167 HydrophobicContact CG2-CB 4.11Å
133N92.1Very high94.4Very high33 Ų3346.3 Ų46.318%0.17625%0.248CC..THydrogen-bonded Turntrans-120.5-4.4-170.968.527.4000114.4H128 D130 L135 G136 I137H128-N133 PolarHBondContact O-ND2 3.17Å; D130-N133 PolarHBondContact N-OD1 3.07Å; D130-N133 PolarHBondContact O-N 3.04Å; D130-N133 VanDerWaalsContact O-N 3.15Å; D130-N133 PolarHBondContact O-OD1 3.27Å; N133-L135 PolarHBondContact O-N 3.38Å; N133-G136 PolarHBondContact O-N 3.42Å; N133-I137 HydrophobicContact CB-CD1 4.29Å; N133-I137 WeakPolarHBondContact O-CG1 3.35Å; N133-I137 PolarHBondContact O-N 3.43Å; N133-I137 WeakPolarHBondContact OD1-CD1 3.44Å
134C94.9Very high94.3Very high0 Ų044 Ų440%024%0.237CC..Hα-helixtrans-63.7-36.7-172.5610000113.6L129 D130 V131 I137 E138 S153 L156L129-C134 HydrophobicContact CD1-CB 4Å; D130-C134 VanDerWaalsContact O-CB 3.32Å; D130-C134 WeakPolarHBondContact O-CB 3.48Å; D130-C134 PolarHBondContact O-N 3.25Å; V131-C134 PolarHBondContact O-SG 3.21Å; C134-I137 PolarHBondContact O-N 3.38Å; C134-E138 VanDerWaalsContact O-CB 3.25Å; C134-E138 WeakPolarHBondContact O-CB 3.47Å; C134-E138 PolarHBondContact O-N 3.14Å; C134-S153 WeakPolarHBondContact O-CB 3.39Å; C134-L156 HydrophobicContact CB-CD2 4.16Å
135L95.1Very high94.1Very high2 Ų249.1 Ų49.11%0.0127%0.266CS..Hα-helixtrans-65.6-46.1179.3-66.4176.7000111.7N133 E138 A139 A157 L164 E170 W171 L174 Y182N133-L135 PolarHBondContact O-N 3.38Å; L135-E138 PolarHBondContact O-N 3.05Å; L135-A139 PolarHBondContact O-N 3.38Å; L135-A157 HydrophobicContact CD2-CB 4.32Å; L135-L164 HydrophobicContact CD1-CD1 4.18Å; L135-L164 HydrophobicContact CD1-CD2 3.96Å; L135-L164 HydrophobicContact CD1-CG 4.22Å; L135-L164 HydrophobicContact CD2-CD1 3.97Å; L135-L164 HydrophobicContact CG-CD1 3.92Å; L135-L164 HydrophobicContact CG-CG 4.45Å; L135-E170 HydrophobicContact CB-CB 4.12Å; L135-E170 WeakPolarHBondContact CB-OE2 3.25Å; L135-E170 HydrophobicContact CD1-CB 4.08Å; L135-W171 HydrophobicContact CD1-CB 4.24Å; L135-W171 HydrophobicContact CD1-CE3 4.36Å; L135-L174 HydrophobicContact CD1-CD1 4.1Å; L135-L174 HydrophobicContact CD2-CD1 4.13Å; L135-Y182 HydrophobicContact CD2-CE2 4.17Å
136G92.4Very high94Very high14 Ų1450.7 Ų50.714%0.14427%0.274CS..Hα-helixtrans-64.1-41.817600000112.3N133 A139 L140 E170N133-G136 PolarHBondContact O-N 3.42Å; G136-A139 PolarHBondContact O-N 3.08Å; G136-L140 WeakPolarHBondContact O-CB 3.28Å; G136-L140 WeakPolarHBondContact O-CG 3.4Å; G136-L140 PolarHBondContact O-N 2.91Å; G136-E170 WeakPolarHBondContact CA-OE2 3.3Å; G136-E170 PolarHBondContact N-OE2 2.99Å
137I94.8Very high94Very high6 Ų650.1 Ų50.13%0.03128%0.279CS..Hα-helixtrans-66.6-40.7176.4-67.8174.9000111.3M125 L129 N133 C134 L140 A141 L149 S153M125-I137 HydrophobicContact CB-CD1 4.23Å; M125-I137 HydrophobicContact CB-CG2 4.46Å; M125-I137 HydrophobicContact CG-CD1 4.48Å; M125-I137 HydrophobicContact SD-CG1 4.47Å; L129-I137 HydrophobicContact CD1-CB 4.21Å; L129-I137 HydrophobicContact CD1-CD1 3.79Å; L129-I137 HydrophobicContact CD1-CG2 4.15Å; N133-I137 HydrophobicContact CB-CD1 4.29Å; N133-I137 WeakPolarHBondContact O-CG1 3.35Å; N133-I137 PolarHBondContact O-N 3.43Å; N133-I137 WeakPolarHBondContact OD1-CD1 3.44Å; C134-I137 PolarHBondContact O-N 3.38Å; I137-L140 PolarHBondContact O-N 3.43Å; I137-A141 VanDerWaalsContact O-CB 3.23Å; I137-A141 WeakPolarHBondContact O-CB 3.5Å; I137-A141 PolarHBondContact O-N 3Å; I137-L149 HydrophobicContact CG2-CD1 3.76Å; I137-L149 HydrophobicContact CG2-CD2 3.8Å; I137-L149 HydrophobicContact CG2-CG 3.71Å; I137-S153 WeakPolarHBondContact CG2-OG 3.38Å
138E95.5Very high94Very high10 Ų1050.8 Ų50.85%0.04728%0.276CS..Hα-helixtrans-58.5-52.7174.9-176.3-174.5-161.800110.7C134 L135 L140 A141 E142 H154 Y182C134-E138 VanDerWaalsContact O-CB 3.25Å; C134-E138 WeakPolarHBondContact O-CB 3.47Å; C134-E138 PolarHBondContact O-N 3.14Å; L135-E138 PolarHBondContact O-N 3.05Å; E138-L140 VanDerWaalsContact C-N 3.31Å; E138-L140 PolarHBondContact O-N 3.25Å; E138-A141 PolarHBondContact O-N 2.98Å; E138-A141 VanDerWaalsContact O-N 3.08Å; E138-E142 WeakPolarHBondContact O-CG 3.2Å; E138-E142 PolarHBondContact O-N 2.97Å; E138-H154 WeakPolarHBondContact OE1-CB 3.1Å; E138-H154 IonicContact OE1-CE1 2.71Å; E138-H154 IonicContact OE1-CG 3.88Å; E138-H154 IonicContact OE1-ND1 2.69Å; E138-H154 PolarHBondContact OE1-ND1 3.4Å; E138-Y182 VanDerWaalsContact CD-OH 3.23Å; E138-Y182 PolarHBondContact OE1-OH 3.42Å; E138-Y182 PolarHBondContact OE2-OH 2.84Å
139A93.3Very high94.1Very high49 Ų4947.5 Ų47.541%0.40526%0.261SS..Hα-helixtrans-59.6-40.8-179.900000112.4L135 G136 M143L135-A139 PolarHBondContact O-N 3.38Å; G136-A139 PolarHBondContact O-N 3.08Å; A139-M143 WeakPolarHBondContact O-CB 3.27Å; A139-M143 PolarHBondContact O-N 3.14Å
140L92.9Very high94.1Very high21 Ų2146.3 Ų46.311%0.1126%0.256CS..Hα-helixtrans-65.3-42.8174.2-75.7172.9000112Q103 L107 G136 I137 E138 M143 H144Q103-L140 HydrophobicContact CB-CD1 4.02Å; Q103-L140 VanDerWaalsContact CD-CD1 3.5Å; Q103-L140 HydrophobicContact CG-CD1 3.58Å; L107-L140 HydrophobicContact CD2-CD2 3.92Å; L107-L140 HydrophobicContact CG-CD2 4.41Å; G136-L140 WeakPolarHBondContact O-CB 3.28Å; G136-L140 WeakPolarHBondContact O-CG 3.4Å; G136-L140 PolarHBondContact O-N 2.91Å; I137-L140 PolarHBondContact O-N 3.43Å; E138-L140 VanDerWaalsContact C-N 3.31Å; E138-L140 PolarHBondContact O-N 3.25Å; L140-M143 PolarHBondContact O-N 2.96Å; L140-H144 PolarHBondContact O-CD2 3.18Å; L140-H144 VanDerWaalsContact O-CD2 3.3Å; L140-H144 PolarHBondContact O-N 2.87Å
141A95.5Very high94.2Very high1 Ų149.1 Ų49.11%0.00827%0.267CS..Hα-helixtrans-65.7-41.1179.400000111.8I137 E138 H144 N145 I146 L149 A150I137-A141 VanDerWaalsContact O-CB 3.23Å; I137-A141 WeakPolarHBondContact O-CB 3.5Å; I137-A141 PolarHBondContact O-N 3Å; E138-A141 PolarHBondContact O-N 2.98Å; E138-A141 VanDerWaalsContact O-N 3.08Å; A141-H144 CarbonylContact O-C 3.56Å; A141-H144 PolarHBondContact O-N 3.27Å; A141-N145 PolarHBondContact O-N 3.04Å; A141-I146 HydrophobicContact CB-CB 4.27Å; A141-I146 PolarHBondContact O-N 2.92Å; A141-L149 HydrophobicContact CB-CB 3.99Å; A141-L149 HydrophobicContact CB-CD2 4.08Å; A141-L149 HydrophobicContact CB-CG 3.96Å; A141-A150 HydrophobicContact CB-CB 3.82Å
142E94.3Very high94.4Very high111 Ų11150.5 Ų50.552%0.51928%0.278SS..Hα-helixtrans-63.1-46.9174.8-72.1-171.2153.300111.8E138 H144 N145 A150E138-E142 WeakPolarHBondContact O-CG 3.2Å; E138-E142 PolarHBondContact O-N 2.97Å; E142-H144 PolarHBondContact O-N 2.74Å; E142-N145 PolarHBondContact O-N 2.76Å; E142-A150 HydrophobicContact CG-CB 4.08Å
143M93.1Very high94.6Very high138 Ų13847.6 Ų47.668%0.6826%0.259SS*.Hα-helixtrans-56.6-34.7178-176.1-177.9-65.500112.4A139 L140A139-M143 WeakPolarHBondContact O-CB 3.27Å; A139-M143 PolarHBondContact O-N 3.14Å; L140-M143 PolarHBondContact O-N 2.96Å
144H93.1Very high94.7Very high62 Ų6249.1 Ų49.129%0.28727%0.265SS..THydrogen-bonded Turntrans-100.27.9-179.7-71.7-95.2000114.2F106 S110 L140 A141 E142 I146F106-H144 HydrophobicContact CE1-CB 4.35Å; F106-H144 AromaticContact CE1-CD2 3.5Å; F106-H144 VanDerWaalsContact CE1-CD2 3.5Å; F106-H144 WeakPolarHBondContact CE1-CD2 3.23Å; F106-H144 AromaticContact CE1-CG 3.71Å; F106-H144 AromaticContact CE1-NE2 3.7Å; F106-H144 HydrophobicContact CZ-CB 3.95Å; F106-H144 AromaticContact CZ-CD2 4Å; F106-H144 AromaticContact CZ-CG 3.73Å; S110-H144 VanDerWaalsContact CB-CE1 3.42Å; S110-H144 WeakPolarHBondContact CB-CE1 3.46Å; S110-H144 PolarHBondContact OG-CE1 3.01Å; L140-H144 PolarHBondContact O-CD2 3.18Å; L140-H144 VanDerWaalsContact O-CD2 3.3Å; L140-H144 PolarHBondContact O-N 2.87Å; A141-H144 CarbonylContact O-C 3.56Å; A141-H144 PolarHBondContact O-N 3.27Å; E142-H144 PolarHBondContact O-N 2.74Å; H144-I146 VanDerWaalsContact C-N 3.33Å; H144-I146 HydrophobicContact CB-CD1 4.03Å; H144-I146 HydrophobicContact CB-CG1 4.1Å; H144-I146 PolarHBondContact O-N 3.37Å
145N93.9Very high94.7Very high139 Ų13954.9 Ų54.974%0.74329%0.29SS*.THydrogen-bonded Turntrans55.938.3-178.9-58.3-72.7000114.7A141 E142 T147A141-N145 PolarHBondContact O-N 3.04Å; E142-N145 PolarHBondContact O-N 2.76Å; N145-T147 PolarHBondContact O-N 3.01Å
146I94.7Very high94.8Very high36 Ų3656.7 Ų56.719%0.18530%0.3CS..  trans-94.179.6177.2-52.6173000108.8F106 V122 A141 H144 D148 L149 A150F106-I146 HydrophobicContact CE2-CD1 3.75Å; F106-I146 HydrophobicContact CZ-CD1 3.58Å; V122-I146 HydrophobicContact CG1-CG2 4.14Å; V122-I146 HydrophobicContact CG2-CD1 3.65Å; A141-I146 HydrophobicContact CB-CB 4.27Å; A141-I146 PolarHBondContact O-N 2.92Å; H144-I146 VanDerWaalsContact C-N 3.33Å; H144-I146 HydrophobicContact CB-CD1 4.03Å; H144-I146 HydrophobicContact CB-CG1 4.1Å; H144-I146 PolarHBondContact O-N 3.37Å; I146-D148 VanDerWaalsContact C-N 3.35Å; I146-D148 PolarHBondContact O-N 3.18Å; I146-L149 HydrophobicContact CB-CB 4.43Å; I146-L149 HydrophobicContact CG2-CB 3.73Å; I146-L149 PolarHBondContact O-N 2.85Å; I146-A150 PolarHBondContact O-N 3.03Å
147T95.2Very high94.9Very high87 Ų8756 Ų5653%0.53429%0.293SS..Hα-helixtrans-56-43.5-170530000113.8N145 L149 A150 Q151N145-T147 PolarHBondContact O-N 3.01Å; T147-L149 VanDerWaalsContact C-N 3.32Å; T147-L149 PolarHBondContact O-N 3.43Å; T147-A150 PolarHBondContact O-N 2.79Å; T147-Q151 WeakPolarHBondContact O-CB 3.49Å; T147-Q151 VanDerWaalsContact O-CG 3.26Å; T147-Q151 WeakPolarHBondContact O-CG 3.23Å; T147-Q151 PolarHBondContact O-N 3.41Å
148D95.5Very high94.9Very high99 Ų9956.3 Ų56.353%0.52930%0.295SS..Hα-helixtrans-66.3-36.3-175.3-64.72.1000112I146 S152I146-D148 VanDerWaalsContact C-N 3.35Å; I146-D148 PolarHBondContact O-N 3.18Å; D148-S152 WeakPolarHBondContact O-CB 3.41Å; D148-S152 PolarHBondContact O-N 3.49Å; D148-S152 VanDerWaalsContact O-N 3.13Å; D148-S152 PolarHBondContact O-OG 2.82Å
149L95.9Very high94.9Very high2 Ų260.2 Ų60.21%0.0131%0.313CS..Hα-helixtrans-75.5-42.6177.8-177.560.7000110.7V122 M125 K126 I137 A141 I146 T147 S152 S153V122-L149 HydrophobicContact CG1-CD2 4.3Å; M125-L149 HydrophobicContact CB-CD2 4.28Å; M125-L149 HydrophobicContact CE-CD2 4Å; K126-L149 HydrophobicContact CB-CD1 4.12Å; I137-L149 HydrophobicContact CG2-CD1 3.76Å; I137-L149 HydrophobicContact CG2-CD2 3.8Å; I137-L149 HydrophobicContact CG2-CG 3.71Å; A141-L149 HydrophobicContact CB-CB 3.99Å; A141-L149 HydrophobicContact CB-CD2 4.08Å; A141-L149 HydrophobicContact CB-CG 3.96Å; I146-L149 HydrophobicContact CB-CB 4.43Å; I146-L149 HydrophobicContact CG2-CB 3.73Å; I146-L149 PolarHBondContact O-N 2.85Å; T147-L149 VanDerWaalsContact C-N 3.32Å; T147-L149 PolarHBondContact O-N 3.43Å; L149-S152 PolarHBondContact O-N 3.44Å; L149-S153 WeakPolarHBondContact O-CB 3.43Å; L149-S153 PolarHBondContact O-N 3.33Å; L149-S153 PolarHBondContact O-OG 2.82Å
150A96.1Very high94.9Very high13 Ų1360.4 Ų60.411%0.10731%0.308CS..Hα-helixtrans-58.4-49.317500000110.9A141 E142 I146 T147 S152 S153 H154A141-A150 HydrophobicContact CB-CB 3.82Å; E142-A150 HydrophobicContact CG-CB 4.08Å; I146-A150 PolarHBondContact O-N 3.03Å; T147-A150 PolarHBondContact O-N 2.79Å; A150-S152 PolarHBondContact O-N 2.85Å; A150-S153 PolarHBondContact O-N 3.06Å; A150-H154 VanDerWaalsContact O-CB 3.3Å; A150-H154 WeakPolarHBondContact O-CB 3.45Å; A150-H154 PolarHBondContact O-N 3.08Å
151Q95.6Very high95Very high133 Ų13359.4 Ų59.462%0.62130%0.302SS*.Hα-helixtrans-62.1-41.1177.9-73.8176.1-3.100113T147 S153 K155T147-Q151 WeakPolarHBondContact O-CB 3.49Å; T147-Q151 VanDerWaalsContact O-CG 3.26Å; T147-Q151 WeakPolarHBondContact O-CG 3.23Å; T147-Q151 PolarHBondContact O-N 3.41Å; Q151-S153 VanDerWaalsContact C-N 3.33Å; Q151-K155 WeakPolarHBondContact O-CB 3.43Å; Q151-K155 PolarHBondContact O-N 2.97Å
152S95.8Very high94.8Very high43 Ų4361.1 Ų61.130%0.30131%0.314SS..Hα-helixtrans-65.8-39.4177.9-57.90000111.4D148 L149 A150 L156D148-S152 WeakPolarHBondContact O-CB 3.41Å; D148-S152 PolarHBondContact O-N 3.49Å; D148-S152 VanDerWaalsContact O-N 3.13Å; D148-S152 PolarHBondContact O-OG 2.82Å; L149-S152 PolarHBondContact O-N 3.44Å; A150-S152 PolarHBondContact O-N 2.85Å; S152-L156 PolarHBondContact O-N 3.18Å; S152-L156 VanDerWaalsContact O-N 3.11Å
153S96.1Very high94.7Very high0 Ų057.5 Ų57.50%030%0.302CS..Hα-helixtrans-70.2-46.2178.9-51.90000111.5L129 C134 I137 L149 A150 Q151 K155 L156 A157L129-S153 WeakPolarHBondContact CD1-OG 3.46Å; C134-S153 WeakPolarHBondContact O-CB 3.39Å; I137-S153 WeakPolarHBondContact CG2-OG 3.38Å; L149-S153 WeakPolarHBondContact O-CB 3.43Å; L149-S153 PolarHBondContact O-N 3.33Å; L149-S153 PolarHBondContact O-OG 2.82Å; A150-S153 PolarHBondContact O-N 3.06Å; Q151-S153 VanDerWaalsContact C-N 3.33Å; S153-K155 PolarHBondContact O-N 3.36Å; S153-L156 PolarHBondContact O-N 3.45Å; S153-A157 WeakPolarHBondContact O-CB 3.07Å; S153-A157 PolarHBondContact O-N 3.17Å
154H95.5Very high94.7Very high65 Ų6551 Ų5130%0.30127%0.269SS..Hα-helixtrans-57.4-49.1174.5-171.478000111.5E138 A150 L156 A157 V158 Y182E138-H154 WeakPolarHBondContact OE1-CB 3.1Å; E138-H154 IonicContact OE1-CE1 2.71Å; E138-H154 IonicContact OE1-CG 3.88Å; E138-H154 IonicContact OE1-ND1 2.69Å; E138-H154 PolarHBondContact OE1-ND1 3.4Å; A150-H154 VanDerWaalsContact O-CB 3.3Å; A150-H154 WeakPolarHBondContact O-CB 3.45Å; A150-H154 PolarHBondContact O-N 3.08Å; H154-L156 VanDerWaalsContact C-N 3.32Å; H154-L156 PolarHBondContact O-N 3.14Å; H154-A157 WeakPolarHBondContact O-CB 3.08Å; H154-A157 PolarHBondContact O-N 2.8Å; H154-V158 WeakPolarHBondContact O-CB 3.47Å; H154-V158 WeakPolarHBondContact O-CG2 3.19Å; H154-V158 PolarHBondContact O-N 3.21Å; H154-Y182 AromaticContact CE1-CE1 3.9Å; H154-Y182 AromaticContact CE1-CZ 3.86Å; H154-Y182 AromaticContact ND1-CZ 3.67Å; H154-Y182 PolarHBondContact ND1-OH 2.81Å
155K95.4Very high94.6Very high121 Ų12149.4 Ų49.453%0.52626%0.263SS..Hα-helixtrans-57.5-46.1177.9-178.6-179.5173.9-1770111.5Q151 S153 A157 V158 E159Q151-K155 WeakPolarHBondContact O-CB 3.43Å; Q151-K155 PolarHBondContact O-N 2.97Å; S153-K155 PolarHBondContact O-N 3.36Å; K155-A157 VanDerWaalsContact C-N 3.32Å; K155-A157 PolarHBondContact O-N 2.82Å; K155-V158 PolarHBondContact O-N 3.4Å; K155-E159 WeakPolarHBondContact CE-OE1 3.49Å; K155-E159 WeakPolarHBondContact CE-OE2 3.41Å; K155-E159 HydrophobicContact CG-CG 4.36Å; K155-E159 IonicContact NZ-OE1 2.95Å; K155-E159 WeakPolarHBondContact O-CB 3.28Å; K155-E159 WeakPolarHBondContact O-CG 3.32Å; K155-E159 PolarHBondContact O-N 3.17Å
156L95.7Very high94.3Very high40 Ų4051.7 Ų51.721%0.20926%0.261CS..Hα-helixtrans-62.3-41.6178.4-174.569.2000111.7L129 C134 S152 S153 H154 N160L129-L156 HydrophobicContact CD1-CD2 4.49Å; L129-L156 HydrophobicContact CD2-CD2 4.2Å; L129-L156 HydrophobicContact CG-CD2 3.76Å; C134-L156 HydrophobicContact CB-CD2 4.16Å; S152-L156 PolarHBondContact O-N 3.18Å; S152-L156 VanDerWaalsContact O-N 3.11Å; S153-L156 PolarHBondContact O-N 3.45Å; H154-L156 VanDerWaalsContact C-N 3.32Å; H154-L156 PolarHBondContact O-N 3.14Å; L156-N160 WeakPolarHBondContact CD1-ND2 3.46Å; L156-N160 WeakPolarHBondContact O-CB 3.37Å; L156-N160 PolarHBondContact O-N 3.06Å; L156-N160 VanDerWaalsContact O-N 3.07Å; L156-N160 PolarHBondContact O-ND2 3.48Å; L156-N160 VanDerWaalsContact O-ND2 3.09Å
157A95.2Very high94Very high1 Ų153.9 Ų53.91%0.00827%0.271CS..Hα-helixtrans-63.6-42.9177.700000112.3L135 S153 H154 K155 F161 L164 Y182L135-A157 HydrophobicContact CD2-CB 4.32Å; S153-A157 WeakPolarHBondContact O-CB 3.07Å; S153-A157 PolarHBondContact O-N 3.17Å; H154-A157 WeakPolarHBondContact O-CB 3.08Å; H154-A157 PolarHBondContact O-N 2.8Å; K155-A157 VanDerWaalsContact C-N 3.32Å; K155-A157 PolarHBondContact O-N 2.82Å; A157-F161 VanDerWaalsContact O-CA 3.25Å; A157-F161 WeakPolarHBondContact O-CA 3.46Å; A157-F161 PolarHBondContact O-N 3.26Å; A157-F161 VanDerWaalsContact O-N 3.08Å; A157-L164 HydrophobicContact CB-CD1 3.6Å; A157-Y182 HydrophobicContact CB-CE1 3.82Å; A157-Y182 VanDerWaalsContact CB-OH 3.31Å; A157-Y182 WeakPolarHBondContact CB-OH 3.35Å
158V94.7Very high93.6Very high11 Ų1150.1 Ų50.17%0.06725%0.248CC..Hα-helixtrans-67.2-45.5178170.30000111.7H154 K155 N160 Y182 D187 D189H154-V158 WeakPolarHBondContact O-CB 3.47Å; H154-V158 WeakPolarHBondContact O-CG2 3.19Å; H154-V158 PolarHBondContact O-N 3.21Å; K155-V158 PolarHBondContact O-N 3.4Å; V158-N160 VanDerWaalsContact C-N 3.31Å; V158-N160 PolarHBondContact O-N 3.19Å; V158-Y182 HydrophobicContact CG2-CD1 4.23Å; V158-Y182 HydrophobicContact CG2-CE1 3.86Å; V158-D187 VanDerWaalsContact CG1-C 3.49Å; V158-D187 HydrophobicContact CG1-CB 3.99Å; V158-D187 WeakPolarHBondContact CG1-O 3.4Å; V158-D189 WeakPolarHBondContact O-CB 3.46Å; V158-D189 PolarHBondContact O-N 3.4Å
159E94.5Very high93.1Very high92 Ų9251.8 Ų51.843%0.4326%0.257SS..Hα-helixtrans-71.1-21.4179.9-71.7178.7161.200113.5K155K155-E159 WeakPolarHBondContact CE-OE1 3.49Å; K155-E159 WeakPolarHBondContact CE-OE2 3.41Å; K155-E159 HydrophobicContact CG-CG 4.36Å; K155-E159 IonicContact NZ-OE1 2.95Å; K155-E159 WeakPolarHBondContact O-CB 3.28Å; K155-E159 WeakPolarHBondContact O-CG 3.32Å; K155-E159 PolarHBondContact O-N 3.17Å
160N94Very high92.7Very high53 Ų5354.6 Ų54.628%0.28327%0.27SS..THydrogen-bonded Turntrans-124.228-176.4-62.5-92000112.4V131 L156 V158 S162 S163 L164V131-N160 HydrophobicContact CG1-CB 4.44Å; V131-N160 HydrophobicContact CG2-CB 3.76Å; L156-N160 WeakPolarHBondContact CD1-ND2 3.46Å; L156-N160 WeakPolarHBondContact O-CB 3.37Å; L156-N160 PolarHBondContact O-N 3.06Å; L156-N160 VanDerWaalsContact O-N 3.07Å; L156-N160 PolarHBondContact O-ND2 3.48Å; L156-N160 VanDerWaalsContact O-ND2 3.09Å; V158-N160 VanDerWaalsContact C-N 3.31Å; V158-N160 PolarHBondContact O-N 3.19Å; N160-S162 VanDerWaalsContact C-N 3.29Å; N160-S162 PolarHBondContact O-N 3.16Å; N160-S163 PolarHBondContact O-N 3.24Å; N160-L164 WeakPolarHBondContact O-CB 3.34Å; N160-L164 PolarHBondContact O-N 2.88Å
161F94.7Very high92.6Very high0 Ų054.1 Ų54.10%027%0.265CS..Hα-helixtrans-56.3-41.8-170.3-169.6-107.8000113.1A157 S163 L164 L165 W171 Y182 L188 V190 A199A157-F161 VanDerWaalsContact O-CA 3.25Å; A157-F161 WeakPolarHBondContact O-CA 3.46Å; A157-F161 PolarHBondContact O-N 3.26Å; A157-F161 VanDerWaalsContact O-N 3.08Å; F161-S163 PolarHBondContact O-N 2.92Å; F161-L164 HydrophobicContact CD2-CD2 4.38Å; F161-L164 HydrophobicContact CE2-CD2 4.45Å; F161-L164 WeakPolarHBondContact O-CB 3.15Å; F161-L164 PolarHBondContact O-N 2.9Å; F161-L165 HydrophobicContact CD1-CD1 3.91Å; F161-L165 HydrophobicContact CD1-CG 4.26Å; F161-L165 HydrophobicContact CE1-CD1 3.6Å; F161-L165 HydrophobicContact CE1-CD2 4.17Å; F161-L165 HydrophobicContact CE1-CG 4.01Å; F161-L165 HydrophobicContact CE2-CD2 4.42Å; F161-L165 HydrophobicContact CZ-CD1 4.24Å; F161-L165 HydrophobicContact CZ-CD2 3.94Å; F161-L165 HydrophobicContact CZ-CG 4.22Å; F161-L165 WeakPolarHBondContact O-CG 3.46Å; F161-L165 PolarHBondContact O-N 3.37Å; F161-W171 HydrophobicContact CE2-CE3 4.07Å; F161-W171 AromaticContact CE2-CH2 3.55Å; F161-W171 HydrophobicContact CE2-CH2 3.55Å; F161-W171 HydrophobicContact CE2-CZ2 4.28Å; F161-W171 AromaticContact CE2-CZ3 3.43Å; F161-W171 HydrophobicContact CE2-CZ3 3.43Å; F161-W171 VanDerWaalsContact CE2-CZ3 3.43Å; F161-W171 HydrophobicContact CZ-CE3 4.47Å; F161-W171 AromaticContact CZ-CH2 3.46Å; F161-W171 HydrophobicContact CZ-CH2 3.46Å; F161-W171 VanDerWaalsContact CZ-CH2 3.46Å; F161-W171 AromaticContact CZ-CZ2 3.82Å; F161-W171 HydrophobicContact CZ-CZ2 3.82Å; F161-W171 AromaticContact CZ-CZ3 3.84Å; F161-W171 HydrophobicContact CZ-CZ3 3.84Å; F161-Y182 HydrophobicContact CD2-CD1 4.47Å; F161-Y182 HydrophobicContact CE2-CD1 4.31Å; F161-L188 HydrophobicContact CB-CD1 3.94Å; F161-L188 HydrophobicContact CB-CG 4.2Å; F161-L188 HydrophobicContact CD1-CD1 4.08Å; F161-L188 HydrophobicContact CD1-CD2 3.81Å; F161-L188 HydrophobicContact CD1-CG 3.97Å; F161-L188 HydrophobicContact CD2-CD1 3.59Å; F161-L188 HydrophobicContact CD2-CG 4.38Å; F161-L188 HydrophobicContact CE1-CD1 4.46Å; F161-L188 HydrophobicContact CE1-CD2 3.78Å; F161-L188 HydrophobicContact CE1-CG 4.4Å; F161-L188 HydrophobicContact CE2-CD1 4.02Å; F161-L188 HydrophobicContact CG-CD1 3.59Å; F161-L188 HydrophobicContact CG-CD2 4.22Å; F161-L188 HydrophobicContact CG-CG 3.93Å; F161-L188 HydrophobicContact CZ-CD1 4.44Å; F161-L188 HydrophobicContact CZ-CD2 4.19Å; F161-V190 HydrophobicContact CB-CG1 4.25Å; F161-V190 HydrophobicContact CD1-CG1 3.53Å; F161-V190 HydrophobicContact CE1-CG1 4.37Å; F161-V190 HydrophobicContact CG-CG1 4.32Å; F161-A199 HydrophobicContact CE1-CB 4.17Å; F161-A199 HydrophobicContact CZ-CB 4.13Å
162S91.9Very high92.4Very high37 Ų3748.6 Ų48.626%0.25924%0.241SC..Hα-helixtrans-60.7-41.8177.557.80000113.6N160N160-S162 VanDerWaalsContact C-N 3.29Å; N160-S162 PolarHBondContact O-N 3.16Å
163S91.9Very high92.2Very high36 Ų3652 Ų5225%0.25226%0.255SS..Hα-helixtrans-70.8-39.6174.9-60.10000111.3N160 F161 L165 R166 E167N160-S163 PolarHBondContact O-N 3.24Å; F161-S163 PolarHBondContact O-N 2.92Å; S163-L165 PolarHBondContact O-N 2.94Å; S163-R166 PolarHBondContact O-N 3.21Å; S163-R166 VanDerWaalsContact O-N 3.1Å; S163-E167 WeakPolarHBondContact O-CB 3.44Å; S163-E167 WeakPolarHBondContact O-CG 3.48Å; S163-E167 PolarHBondContact O-N 3.44Å
164L92.8Very high92Very high0 Ų052.9 Ų52.90%026%0.26CS..Hα-helixtrans-56.7-46177.6173.5160000111.9V131 L135 A157 N160 F161 R166 E167 S168 W171V131-L164 VanDerWaalsContact CG1-CA 3.47Å; V131-L164 HydrophobicContact CG1-CB 3.82Å; L135-L164 HydrophobicContact CD1-CD1 4.18Å; L135-L164 HydrophobicContact CD1-CD2 3.96Å; L135-L164 HydrophobicContact CD1-CG 4.22Å; L135-L164 HydrophobicContact CD2-CD1 3.97Å; L135-L164 HydrophobicContact CG-CD1 3.92Å; L135-L164 HydrophobicContact CG-CG 4.45Å; A157-L164 HydrophobicContact CB-CD1 3.6Å; N160-L164 WeakPolarHBondContact O-CB 3.34Å; N160-L164 PolarHBondContact O-N 2.88Å; F161-L164 HydrophobicContact CD2-CD2 4.38Å; F161-L164 HydrophobicContact CE2-CD2 4.45Å; F161-L164 WeakPolarHBondContact O-CB 3.15Å; F161-L164 PolarHBondContact O-N 2.9Å; L164-R166 PolarHBondContact O-N 3.1Å; L164-E167 PolarHBondContact O-N 3.35Å; L164-S168 VanDerWaalsContact O-CB 3.28Å; L164-S168 WeakPolarHBondContact O-CB 3.22Å; L164-S168 PolarHBondContact O-N 3.2Å; L164-W171 HydrophobicContact CD2-CE3 4.11Å
165L91Very high91.9Very high29 Ų2953.2 Ų53.215%0.15227%0.268CS..Hα-helixtrans-61.9-27.6178.7-68173.7000113.6F161 S163 W171 F195 A199F161-L165 HydrophobicContact CD1-CD1 3.91Å; F161-L165 HydrophobicContact CD1-CG 4.26Å; F161-L165 HydrophobicContact CE1-CD1 3.6Å; F161-L165 HydrophobicContact CE1-CD2 4.17Å; F161-L165 HydrophobicContact CE1-CG 4.01Å; F161-L165 HydrophobicContact CE2-CD2 4.42Å; F161-L165 HydrophobicContact CZ-CD1 4.24Å; F161-L165 HydrophobicContact CZ-CD2 3.94Å; F161-L165 HydrophobicContact CZ-CG 4.22Å; F161-L165 WeakPolarHBondContact O-CG 3.46Å; F161-L165 PolarHBondContact O-N 3.37Å; S163-L165 PolarHBondContact O-N 2.94Å; L165-W171 HydrophobicContact CD2-CD2 3.8Å; L165-W171 HydrophobicContact CD2-CE3 4.44Å; L165-W171 HydrophobicContact CD2-CG 3.85Å; L165-W171 HydrophobicContact CD2-CZ2 4.44Å; L165-F195 HydrophobicContact CD1-CB 4.42Å; L165-F195 WeakPolarHBondContact CD1-O 3.41Å; L165-A199 HydrophobicContact CD1-CB 3.73Å; L165-A199 HydrophobicContact CD2-CB 3.48Å; L165-A199 VanDerWaalsContact CD2-CB 3.48Å; L165-A199 HydrophobicContact CG-CB 4.25Å
166R88.2Confident91.6Very high187 Ų18749.2 Ų49.271%0.70625%0.252SS*.Hα-helixtrans-88.2-36.3-178.9-174.3-178.168.1-169.9-1.9112.4S163 L164S163-R166 PolarHBondContact O-N 3.21Å; S163-R166 VanDerWaalsContact O-N 3.1Å; L164-R166 PolarHBondContact O-N 3.1Å
167E88Confident91.4Very high83 Ų8351.2 Ų51.239%0.38827%0.269SS..Hα-helixtrans-104-23.8-167-64.8175.7-161.800113.1T132 S163 L164T132-E167 HydrophobicContact CG2-CB 4.11Å; S163-E167 WeakPolarHBondContact O-CB 3.44Å; S163-E167 WeakPolarHBondContact O-CG 3.48Å; S163-E167 PolarHBondContact O-N 3.44Å; L164-E167 PolarHBondContact O-N 3.35Å
168S86.2Confident91.3Very high8 Ų852.6 Ų52.66%0.05628%0.278CS..  trans-101.5129178.7-175.10000112.3L164 E170L164-S168 VanDerWaalsContact O-CB 3.28Å; L164-S168 WeakPolarHBondContact O-CB 3.22Å; L164-S168 PolarHBondContact O-N 3.2Å; S168-E170 VanDerWaalsContact C-N 3.3Å; S168-E170 WeakPolarHBondContact OG-CB 3.36Å; S168-E170 PolarHBondContact OG-N 2.97Å
169N85.5Confident91.2Very high133 Ų13352.1 Ų52.171%0.71128%0.275SS*.SBendtrans-85.2-7.5173.3-57.6-9.5000112T172N169-T172 PolarHBondContact O-OG1 3.33Å
170E88.7Confident91Very high61 Ų6149 Ų4929%0.28526%0.261SS..SBendtrans-76.5-26-172.6-61.6-175.7145.900112.4L135 G136 S168 T172 N173 L174L135-E170 HydrophobicContact CB-CB 4.12Å; L135-E170 WeakPolarHBondContact CB-OE2 3.25Å; L135-E170 HydrophobicContact CD1-CB 4.08Å; G136-E170 WeakPolarHBondContact CA-OE2 3.3Å; G136-E170 PolarHBondContact N-OE2 2.99Å; S168-E170 VanDerWaalsContact C-N 3.3Å; S168-E170 WeakPolarHBondContact OG-CB 3.36Å; S168-E170 PolarHBondContact OG-N 2.97Å; E170-T172 VanDerWaalsContact C-N 3.28Å; E170-T172 PolarHBondContact O-N 2.99Å; E170-N173 PolarHBondContact O-N 3Å; E170-L174 PolarHBondContact O-N 3.06Å
171W93.6Very high90.9Very high3 Ų349.2 Ų49.21%0.01127%0.266CS..G310 helixtrans-50.4-47.3178.9178.6-102.7000112.4L135 F161 L164 L165 N173 L174 V179 Y182 I183 A199L135-W171 HydrophobicContact CD1-CB 4.24Å; L135-W171 HydrophobicContact CD1-CE3 4.36Å; F161-W171 HydrophobicContact CE2-CE3 4.07Å; F161-W171 AromaticContact CE2-CH2 3.55Å; F161-W171 HydrophobicContact CE2-CH2 3.55Å; F161-W171 HydrophobicContact CE2-CZ2 4.28Å; F161-W171 AromaticContact CE2-CZ3 3.43Å; F161-W171 HydrophobicContact CE2-CZ3 3.43Å; F161-W171 VanDerWaalsContact CE2-CZ3 3.43Å; F161-W171 HydrophobicContact CZ-CE3 4.47Å; F161-W171 AromaticContact CZ-CH2 3.46Å; F161-W171 HydrophobicContact CZ-CH2 3.46Å; F161-W171 VanDerWaalsContact CZ-CH2 3.46Å; F161-W171 AromaticContact CZ-CZ2 3.82Å; F161-W171 HydrophobicContact CZ-CZ2 3.82Å; F161-W171 AromaticContact CZ-CZ3 3.84Å; F161-W171 HydrophobicContact CZ-CZ3 3.84Å; L164-W171 HydrophobicContact CD2-CE3 4.11Å; L165-W171 HydrophobicContact CD2-CD2 3.8Å; L165-W171 HydrophobicContact CD2-CE3 4.44Å; L165-W171 HydrophobicContact CD2-CG 3.85Å; L165-W171 HydrophobicContact CD2-CZ2 4.44Å; W171-N173 PolarHBondContact O-N 3.24Å; W171-L174 HydrophobicContact CD2-CD1 4.41Å; W171-L174 HydrophobicContact CE3-CD1 3.67Å; W171-L174 HydrophobicContact CZ3-CD1 3.98Å; W171-L174 WeakPolarHBondContact O-CB 3.38Å; W171-L174 PolarHBondContact O-N 3.44Å; W171-V179 HydrophobicContact CH2-CG1 4.19Å; W171-V179 HydrophobicContact CZ2-CG1 3.83Å; W171-Y182 HydrophobicContact CH2-CG 4.36Å; W171-Y182 HydrophobicContact CZ3-CD2 4.13Å; W171-Y182 HydrophobicContact CZ3-CG 4.02Å; W171-I183 HydrophobicContact CH2-CG2 4.3Å; W171-I183 HydrophobicContact CZ2-CG2 4.29Å; W171-A199 HydrophobicContact CZ2-CB 3.8Å; W171-A199 PolarHBondContact NE1-O 2.87Å
172T91.5Very high90.8Very high18 Ų1849.2 Ų49.211%0.1127%0.266CS..G310 helixtrans-68.1-15.1-178.564.60000113.8N169 E170 Q206 R211N169-T172 PolarHBondContact O-OG1 3.33Å; E170-T172 VanDerWaalsContact C-N 3.28Å; E170-T172 PolarHBondContact O-N 2.99Å; T172-Q206 HydrophobicContact CG2-CB 4.43Å; T172-R211 PolarHBondContact O-NH1 3.37Å; T172-R211 PolarHBondContact O-NH2 3.08Å
173N91.2Very high90.8Very high113 Ų11347.4 Ų47.460%0.60425%0.254SS*.G310 helixtrans-96.6-7.8178.3-65.3-45000113.2E170 W171E170-N173 PolarHBondContact O-N 3Å; W171-N173 PolarHBondContact O-N 3.24Å
174L92.7Very high90.7Very high20 Ų2048.2 Ų48.211%0.10526%0.259CS..SBendtrans-65.2145.6179.7-65.3-179.7000111.8L135 E170 W171 T178 V179 W203L135-L174 HydrophobicContact CD1-CD1 4.1Å; L135-L174 HydrophobicContact CD2-CD1 4.13Å; E170-L174 PolarHBondContact O-N 3.06Å; W171-L174 HydrophobicContact CD2-CD1 4.41Å; W171-L174 HydrophobicContact CE3-CD1 3.67Å; W171-L174 HydrophobicContact CZ3-CD1 3.98Å; W171-L174 WeakPolarHBondContact O-CB 3.38Å; W171-L174 PolarHBondContact O-N 3.44Å; L174-T178 HydrophobicContact CD1-CG2 4.26Å; L174-T178 HydrophobicContact CD2-CG2 4.5Å; L174-V179 HydrophobicContact CB-CG2 3.9Å; L174-W203 PolarHBondContact O-NE1 3.06Å
175P92.5Very high90.5Very high71 Ų7149.3 Ų49.346%0.46127%0.267SS..  trans-67.3150.8170.430.4-34.2000110.2S177 T178 V179P175-S177 PolarHBondContact O-N 2.81Å; P175-S177 VanDerWaalsContact O-N 3.13Å; P175-T178 WeakPolarHBondContact CG-OG1 3.29Å; P175-T178 PolarHBondContact O-N 3.48Å; P175-V179 PolarHBondContact O-N 3.06Å; P175-V179 VanDerWaalsContact O-N 3.12Å
176I90.1Very high90.4Very high37 Ų3754.6 Ų54.619%0.1930%0.296CS..Hα-helixtrans-54.2-36.8-178.3-175.6173.8000113.2T178 V179 I180 W203 Y214I176-T178 VanDerWaalsContact C-N 3.28Å; I176-T178 PolarHBondContact O-N 3.32Å; I176-V179 PolarHBondContact O-N 3.38Å; I176-I180 HydrophobicContact CD1-CD1 4.07Å; I176-I180 HydrophobicContact CG1-CD1 3.71Å; I176-I180 HydrophobicContact CG1-CG1 4.07Å; I176-I180 WeakPolarHBondContact O-CB 3.3Å; I176-I180 WeakPolarHBondContact O-CG1 3.4Å; I176-I180 PolarHBondContact O-N 3.12Å; I176-W203 HydrophobicContact CB-CH2 3.92Å; I176-W203 HydrophobicContact CB-CZ2 4.12Å; I176-W203 HydrophobicContact CG1-CH2 4.36Å; I176-Y214 VanDerWaalsContact CD1-CB 3.48Å; I176-Y214 HydrophobicContact CD1-CD1 3.26Å; I176-Y214 HydrophobicContact CD1-CD2 4.14Å; I176-Y214 HydrophobicContact CD1-CE1 3.98Å; I176-Y214 HydrophobicContact CD1-CG 3.37Å
177S91.1Very high90.4Very high82 Ų8252 Ų5257%0.57330%0.296SS*.Hα-helixtrans-59.1-40.8179.450.60000112.2P175 S181P175-S177 PolarHBondContact O-N 2.81Å; P175-S177 VanDerWaalsContact O-N 3.13Å; S177-S181 PolarHBondContact O-N 2.92Å
178T92.2Very high90.6Very high31 Ų3148.8 Ų48.819%0.1928%0.281CS..Hα-helixtrans-74.7-39.9178.4-53.70000110.7L174 P175 I176 I180 S181 Y182L174-T178 HydrophobicContact CD1-CG2 4.26Å; L174-T178 HydrophobicContact CD2-CG2 4.5Å; P175-T178 WeakPolarHBondContact CG-OG1 3.29Å; P175-T178 PolarHBondContact O-N 3.48Å; I176-T178 VanDerWaalsContact C-N 3.28Å; I176-T178 PolarHBondContact O-N 3.32Å; T178-I180 VanDerWaalsContact C-N 3.3Å; T178-I180 PolarHBondContact O-N 2.98Å; T178-S181 WeakPolarHBondContact CA-OG 3.34Å; T178-S181 PolarHBondContact O-N 3.36Å; T178-S181 PolarHBondContact O-OG 2.86Å; T178-Y182 HydrophobicContact CG2-CD2 4Å; T178-Y182 HydrophobicContact CG2-CE2 3.93Å; T178-Y182 VanDerWaalsContact O-CD2 3.31Å; T178-Y182 WeakPolarHBondContact O-CD2 3.26Å; T178-Y182 PolarHBondContact O-N 2.9Å; T178-Y182 VanDerWaalsContact O-N 3.08Å
179V93.7Very high90.8Very high0 Ų053.1 Ų53.10%030%0.303CS..Hα-helixtrans-58-46.9173.5176.20000110.6W171 L174 P175 I176 S181 Y182 I183 W203 L218W171-V179 HydrophobicContact CH2-CG1 4.19Å; W171-V179 HydrophobicContact CZ2-CG1 3.83Å; L174-V179 HydrophobicContact CB-CG2 3.9Å; P175-V179 PolarHBondContact O-N 3.06Å; P175-V179 VanDerWaalsContact O-N 3.12Å; I176-V179 PolarHBondContact O-N 3.38Å; V179-S181 VanDerWaalsContact C-N 3.35Å; V179-S181 PolarHBondContact O-N 3.04Å; V179-Y182 PolarHBondContact O-N 2.54Å; V179-I183 HydrophobicContact CG1-CG2 4.37Å; V179-I183 WeakPolarHBondContact O-CG1 3.44Å; V179-I183 PolarHBondContact O-N 3.34Å; V179-W203 HydrophobicContact CG2-CD2 4.39Å; V179-W203 HydrophobicContact CG2-CG 4.18Å; V179-L218 HydrophobicContact CG1-CD2 3.74Å
180I90.7Very high91.1Very high27 Ų2748.2 Ų48.214%0.13828%0.278CS..Hα-helixtrans-60.1-44176.9-71.8174.4000111I176 T178 Y182 I183 S184 Q217 L218I176-I180 HydrophobicContact CD1-CD1 4.07Å; I176-I180 HydrophobicContact CG1-CD1 3.71Å; I176-I180 HydrophobicContact CG1-CG1 4.07Å; I176-I180 WeakPolarHBondContact O-CB 3.3Å; I176-I180 WeakPolarHBondContact O-CG1 3.4Å; I176-I180 PolarHBondContact O-N 3.12Å; T178-I180 VanDerWaalsContact C-N 3.3Å; T178-I180 PolarHBondContact O-N 2.98Å; I180-Y182 PolarHBondContact O-N 2.71Å; I180-I183 PolarHBondContact O-N 3.4Å; I180-S184 VanDerWaalsContact O-CB 3.23Å; I180-S184 WeakPolarHBondContact O-CB 3.36Å; I180-S184 PolarHBondContact O-N 3.23Å; I180-S184 PolarHBondContact O-OG 2.71Å; I180-Q217 HydrophobicContact CD1-CG 3.91Å; I180-L218 HydrophobicContact CG1-CD2 4.18Å
181S90.4Very high91.2Very high57 Ų5750 Ų5040%0.39930%0.296SS..Hα-helixtrans-61.7-33.7179.164.30000112.6S177 T178 V179S177-S181 PolarHBondContact O-N 2.92Å; T178-S181 WeakPolarHBondContact CA-OG 3.34Å; T178-S181 PolarHBondContact O-N 3.36Å; T178-S181 PolarHBondContact O-OG 2.86Å; V179-S181 VanDerWaalsContact C-N 3.35Å; V179-S181 PolarHBondContact O-N 3.04Å
182Y93.3Very high91.1Very high0 Ų051.9 Ų51.90%031%0.309CS..Hα-helixtrans-72-55.1174.6-87.3-77.7000112.3L135 E138 H154 A157 V158 F161 W171 T178 V179 I180 S184 S185 L188L135-Y182 HydrophobicContact CD2-CE2 4.17Å; E138-Y182 VanDerWaalsContact CD-OH 3.23Å; E138-Y182 PolarHBondContact OE1-OH 3.42Å; E138-Y182 PolarHBondContact OE2-OH 2.84Å; H154-Y182 AromaticContact CE1-CE1 3.9Å; H154-Y182 AromaticContact CE1-CZ 3.86Å; H154-Y182 AromaticContact ND1-CZ 3.67Å; H154-Y182 PolarHBondContact ND1-OH 2.81Å; A157-Y182 HydrophobicContact CB-CE1 3.82Å; A157-Y182 VanDerWaalsContact CB-OH 3.31Å; A157-Y182 WeakPolarHBondContact CB-OH 3.35Å; V158-Y182 HydrophobicContact CG2-CD1 4.23Å; V158-Y182 HydrophobicContact CG2-CE1 3.86Å; F161-Y182 HydrophobicContact CD2-CD1 4.47Å; F161-Y182 HydrophobicContact CE2-CD1 4.31Å; W171-Y182 HydrophobicContact CH2-CG 4.36Å; W171-Y182 HydrophobicContact CZ3-CD2 4.13Å; W171-Y182 HydrophobicContact CZ3-CG 4.02Å; T178-Y182 HydrophobicContact CG2-CD2 4Å; T178-Y182 HydrophobicContact CG2-CE2 3.93Å; T178-Y182 VanDerWaalsContact O-CD2 3.31Å; T178-Y182 WeakPolarHBondContact O-CD2 3.26Å; T178-Y182 PolarHBondContact O-N 2.9Å; T178-Y182 VanDerWaalsContact O-N 3.08Å; V179-Y182 PolarHBondContact O-N 2.54Å; I180-Y182 PolarHBondContact O-N 2.71Å; Y182-S184 VanDerWaalsContact C-N 3.26Å; Y182-S184 PolarHBondContact O-N 3.23Å; Y182-S185 VanDerWaalsContact O-CB 3.3Å; Y182-S185 WeakPolarHBondContact O-CB 3.39Å; Y182-S185 PolarHBondContact O-N 2.93Å; Y182-S185 VanDerWaalsContact O-N 3.09Å; Y182-L188 HydrophobicContact CD1-CD1 4.16Å
183I91.6Very high91.1Very high0 Ų051.6 Ų51.60%031%0.306CS..Hα-helixtrans-69.2-23.9-174.468.4-179.7000113.2W171 V179 I180 V196 L218 H221W171-I183 HydrophobicContact CH2-CG2 4.3Å; W171-I183 HydrophobicContact CZ2-CG2 4.29Å; V179-I183 HydrophobicContact CG1-CG2 4.37Å; V179-I183 WeakPolarHBondContact O-CG1 3.44Å; V179-I183 PolarHBondContact O-N 3.34Å; I180-I183 PolarHBondContact O-N 3.4Å; I183-V196 HydrophobicContact CB-CG1 3.75Å; I183-V196 HydrophobicContact CG2-CG1 3.78Å; I183-L218 HydrophobicContact CD1-CB 4.37Å; I183-L218 HydrophobicContact CD1-CD2 3.72Å; I183-H221 HydrophobicContact CD1-CB 3.88Å; I183-H221 HydrophobicContact CG1-CB 3.86Å
184S89.2Confident91.1Very high52 Ų5249.8 Ų49.836%0.36429%0.294SS..THydrogen-bonded Turntrans-85.6-8.3175.463.30000113.5I180 Y182I180-S184 VanDerWaalsContact O-CB 3.23Å; I180-S184 WeakPolarHBondContact O-CB 3.36Å; I180-S184 PolarHBondContact O-N 3.23Å; I180-S184 PolarHBondContact O-OG 2.71Å; Y182-S184 VanDerWaalsContact C-N 3.26Å; Y182-S184 PolarHBondContact O-N 3.23Å
185S89.4Confident91Very high23 Ų2352.1 Ų52.116%0.16130%0.304CS..  trans-71.8132.4178.6-175.80000111Y182 D187 R223Y182-S185 VanDerWaalsContact O-CB 3.3Å; Y182-S185 WeakPolarHBondContact O-CB 3.39Å; Y182-S185 PolarHBondContact O-N 2.93Å; Y182-S185 VanDerWaalsContact O-N 3.09Å; S185-D187 VanDerWaalsContact C-N 3.27Å; S185-D187 PolarHBondContact OG-N 3.13Å; S185-R223 PolarHBondContact O-NH1 3.19Å; S185-R223 PolarHBondContact O-NH2 2.92Å
186D87.8Confident91Very high141 Ų14148.8 Ų48.875%0.75428%0.282SS*.THydrogen-bonded Turntrans-77-16.3173.1-69.4-28.4000112.4L188 R223D186-L188 VanDerWaalsContact C-N 3.29Å; D186-R223 IonicContact OD1-CZ 3.77Å; D186-R223 IonicContact OD1-NE 2.87Å; D186-R223 IonicContact OD1-NH2 3.51Å; D186-R223 PolarHBondContact OD1-NH2 3.26Å
187D89.5Confident91.1Very high133 Ų13347.6 Ų47.671%0.71128%0.275SS*.THydrogen-bonded Turntrans-85.1-2.9-178.9-64-42.1000112.8V158 S185 D189V158-D187 VanDerWaalsContact CG1-C 3.49Å; V158-D187 HydrophobicContact CG1-CB 3.99Å; V158-D187 WeakPolarHBondContact CG1-O 3.4Å; S185-D187 VanDerWaalsContact C-N 3.27Å; S185-D187 PolarHBondContact OG-N 3.13Å; D187-D189 PolarHBondContact O-N 3.16Å
188L91.6Very high91.1Very high15 Ų1547 Ų478%0.07927%0.266CS..  trans-63.6114.1-175.8-16071.7000111.8F161 Y182 D186 V190 V196F161-L188 HydrophobicContact CB-CD1 3.94Å; F161-L188 HydrophobicContact CB-CG 4.2Å; F161-L188 HydrophobicContact CD1-CD1 4.08Å; F161-L188 HydrophobicContact CD1-CD2 3.81Å; F161-L188 HydrophobicContact CD1-CG 3.97Å; F161-L188 HydrophobicContact CD2-CD1 3.59Å; F161-L188 HydrophobicContact CD2-CG 4.38Å; F161-L188 HydrophobicContact CE1-CD1 4.46Å; F161-L188 HydrophobicContact CE1-CD2 3.78Å; F161-L188 HydrophobicContact CE1-CG 4.4Å; F161-L188 HydrophobicContact CE2-CD1 4.02Å; F161-L188 HydrophobicContact CG-CD1 3.59Å; F161-L188 HydrophobicContact CG-CD2 4.22Å; F161-L188 HydrophobicContact CG-CG 3.93Å; F161-L188 HydrophobicContact CZ-CD1 4.44Å; F161-L188 HydrophobicContact CZ-CD2 4.19Å; Y182-L188 HydrophobicContact CD1-CD1 4.16Å; D186-L188 VanDerWaalsContact C-N 3.29Å; L188-V190 HydrophobicContact CD2-CG1 4.27Å; L188-V190 HydrophobicContact CG-CG1 4.25Å; L188-V190 PolarHBondContact O-N 2.91Å; L188-V190 VanDerWaalsContact O-N 3.14Å; L188-V196 HydrophobicContact CD2-CG2 3.91Å
189D91.3Very high91.2Very high98 Ų9845.6 Ų45.652%0.52426%0.257SS..  trans-81.897.4-178.8-166.74.4000110.9V158 D187V158-D189 WeakPolarHBondContact O-CB 3.46Å; V158-D189 PolarHBondContact O-N 3.4Å; D187-D189 PolarHBondContact O-N 3.16Å
190V91.8Very high91.1Very high30 Ų3045.6 Ų45.618%0.18226%0.257CS..  trans-131.7139.4177.5-69.40000111.2F161 L188 S192 F195 V196F161-V190 HydrophobicContact CB-CG1 4.25Å; F161-V190 HydrophobicContact CD1-CG1 3.53Å; F161-V190 HydrophobicContact CE1-CG1 4.37Å; F161-V190 HydrophobicContact CG-CG1 4.32Å; L188-V190 HydrophobicContact CD2-CG1 4.27Å; L188-V190 HydrophobicContact CG-CG1 4.25Å; L188-V190 PolarHBondContact O-N 2.91Å; L188-V190 VanDerWaalsContact O-N 3.14Å; V190-S192 VanDerWaalsContact C-N 3.26Å; V190-S192 PolarHBondContact O-N 3.09Å; V190-F195 HydrophobicContact CB-CB 4.32Å; V190-F195 HydrophobicContact CG1-CB 4.1Å; V190-V196 HydrophobicContact CG1-CG2 4.25Å; V190-V196 HydrophobicContact CG2-CG2 4.05Å
191P90Very high91.1Very high100 Ų10045 Ų4565%0.64925%0.254SS*.SBendtrans-64.5-31175.8-22.132.6000113.6F195P191-F195 HydrophobicContact CB-CD2 4.46Å; P191-F195 HydrophobicContact CB-CE2 4Å; P191-F195 HydrophobicContact CG-CD2 4.33Å; P191-F195 HydrophobicContact CG-CE2 3.87Å; P191-F195 HydrophobicContact CG-CZ 4.29Å
192S91.1Very high91.2Very high42 Ų4245.8 Ų45.829%0.29425%0.254SS..SBendtrans-155156.517965.30000110.4V190 Q194 F195V190-S192 VanDerWaalsContact C-N 3.26Å; V190-S192 PolarHBondContact O-N 3.09Å; S192-Q194 PolarHBondContact O-N 2.84Å; S192-Q194 VanDerWaalsContact O-N 3.08Å; S192-Q194 WeakPolarHBondContact OG-CB 3.38Å; S192-F195 PolarHBondContact O-N 3.04Å; S192-F195 VanDerWaalsContact O-N 3.16Å; S192-F195 WeakPolarHBondContact OG-CD2 3.31Å
193E91.4Very high91.2Very high11 Ų1146.1 Ų46.15%0.05126%0.255CS..Hα-helixtrans-62.1-13.7173.7-92.9-66170.400113.2F195 V196 W197 I222 R223 Y226 L227E193-F195 PolarHBondContact O-N 3.13Å; E193-V196 PolarHBondContact O-N 3.37Å; E193-V196 VanDerWaalsContact O-N 3.14Å; E193-V196 WeakPolarHBondContact OE2-CB 3.36Å; E193-V196 WeakPolarHBondContact OE2-CG2 3.48Å; E193-W197 PolarHBondContact O-N 2.87Å; E193-I222 WeakPolarHBondContact OE2-CG2 3.35Å; E193-R223 HydrophobicContact CG-CB 4.17Å; E193-R223 WeakPolarHBondContact OE1-CD 3.47Å; E193-R223 IonicContact OE1-CZ 2.7Å; E193-R223 IonicContact OE1-NE 3.19Å; E193-R223 IonicContact OE1-NH1 3.4Å; E193-R223 PolarHBondContact OE1-NH1 3.06Å; E193-R223 VanDerWaalsContact OE1-NH1 3.12Å; E193-Y226 HydrophobicContact CG-CD2 4.48Å; E193-L227 HydrophobicContact CB-CD2 3.58Å; E193-L227 HydrophobicContact CB-CG 3.99Å
194Q90.7Very high91.1Very high75 Ų7546.1 Ų46.135%0.3526%0.255SS..Hα-helixtrans-59.6-35.2173.7-178.2175.8-5.400111.8S192 V196 W197 D198 L227 M231S192-Q194 PolarHBondContact O-N 2.84Å; S192-Q194 VanDerWaalsContact O-N 3.08Å; S192-Q194 WeakPolarHBondContact OG-CB 3.38Å; Q194-V196 VanDerWaalsContact C-N 3.32Å; Q194-V196 PolarHBondContact O-N 3.25Å; Q194-W197 WeakPolarHBondContact O-CB 3.47Å; Q194-W197 PolarHBondContact O-N 3.35Å; Q194-D198 WeakPolarHBondContact O-CB 3.4Å; Q194-D198 VanDerWaalsContact O-CG 3.25Å; Q194-D198 PolarHBondContact O-N 3.12Å; Q194-L227 HydrophobicContact CB-CD2 4.33Å; Q194-L227 VanDerWaalsContact N-CD2 3.32Å; Q194-M231 HydrophobicContact CB-SD 4.01Å; Q194-M231 HydrophobicContact CG-CG 4.35Å; Q194-M231 HydrophobicContact CG-SD 3.73Å
195F91.6Very high91.1Very high70 Ų7047.6 Ų47.631%0.30726%0.259SS..Hα-helixtrans-66-36.5177.3-73.1-92000112.2L165 V190 P191 S192 E193 A199L165-F195 HydrophobicContact CD1-CB 4.42Å; L165-F195 WeakPolarHBondContact CD1-O 3.41Å; V190-F195 HydrophobicContact CB-CB 4.32Å; V190-F195 HydrophobicContact CG1-CB 4.1Å; P191-F195 HydrophobicContact CB-CD2 4.46Å; P191-F195 HydrophobicContact CB-CE2 4Å; P191-F195 HydrophobicContact CG-CD2 4.33Å; P191-F195 HydrophobicContact CG-CE2 3.87Å; P191-F195 HydrophobicContact CG-CZ 4.29Å; S192-F195 PolarHBondContact O-N 3.04Å; S192-F195 VanDerWaalsContact O-N 3.16Å; S192-F195 WeakPolarHBondContact OG-CD2 3.31Å; E193-F195 PolarHBondContact O-N 3.13Å; F195-A199 WeakPolarHBondContact O-CB 3.43Å; F195-A199 PolarHBondContact O-N 2.81Å
196V93.4Very high91Very high0 Ų051.4 Ų51.40%027%0.274CS..Hα-helixtrans-70.7-38.7176.5-173.10000110.3I183 L188 V190 E193 Q194 A199 C200 I222I183-V196 HydrophobicContact CB-CG1 3.75Å; I183-V196 HydrophobicContact CG2-CG1 3.78Å; L188-V196 HydrophobicContact CD2-CG2 3.91Å; V190-V196 HydrophobicContact CG1-CG2 4.25Å; V190-V196 HydrophobicContact CG2-CG2 4.05Å; E193-V196 PolarHBondContact O-N 3.37Å; E193-V196 VanDerWaalsContact O-N 3.14Å; E193-V196 WeakPolarHBondContact OE2-CB 3.36Å; E193-V196 WeakPolarHBondContact OE2-CG2 3.48Å; Q194-V196 VanDerWaalsContact C-N 3.32Å; Q194-V196 PolarHBondContact O-N 3.25Å; V196-A199 WeakPolarHBondContact O-CB 3.47Å; V196-A199 PolarHBondContact O-N 2.86Å; V196-C200 PolarHBondContact O-N 3.38Å; V196-C200 PolarHBondContact O-SG 3.03Å; V196-I222 HydrophobicContact CG1-CG1 4.23Å
197W91.9Very high90.8Very high12 Ų1247 Ų475%0.04525%0.254CS..Hα-helixtrans-57.2-54.5170.9176.9-83.2000111.7E193 Q194 A199 C200 I201 L219 I222 L224 L227 M231 L232 Q235 I242E193-W197 PolarHBondContact O-N 2.87Å; Q194-W197 WeakPolarHBondContact O-CB 3.47Å; Q194-W197 PolarHBondContact O-N 3.35Å; W197-A199 PolarHBondContact O-N 3.28Å; W197-C200 WeakPolarHBondContact O-CB 3.37Å; W197-C200 PolarHBondContact O-N 3.33Å; W197-I201 HydrophobicContact CG-CG1 4.48Å; W197-I201 HydrophobicContact CZ2-CD1 4.38Å; W197-I201 WeakPolarHBondContact O-CG1 3.21Å; W197-I201 PolarHBondContact O-N 3.3Å; W197-L219 HydrophobicContact CD2-CD2 4.48Å; W197-L219 HydrophobicContact CE3-CD2 3.73Å; W197-L219 HydrophobicContact CH2-CD2 3.98Å; W197-L219 HydrophobicContact CZ3-CD2 3.45Å; W197-L219 VanDerWaalsContact CZ3-CD2 3.45Å; W197-I222 HydrophobicContact CB-CD1 4.29Å; W197-I222 HydrophobicContact CE3-CD1 3.85Å; W197-L224 HydrophobicContact CE3-CD2 4.26Å; W197-L224 HydrophobicContact CZ3-CD2 4Å; W197-L227 HydrophobicContact CE3-CD1 3.97Å; W197-L227 HydrophobicContact CZ3-CD1 4.48Å; W197-M231 HydrophobicContact CD2-CE 4.02Å; W197-M231 HydrophobicContact CE3-CE 4.37Å; W197-M231 HydrophobicContact CG-CE 4.19Å; W197-L232 HydrophobicContact CH2-CD2 4.38Å; W197-L232 HydrophobicContact CZ3-CD2 4.19Å; W197-Q235 HydrophobicContact CZ2-CB 3.73Å; W197-Q235 HydrophobicContact CZ2-CG 3.79Å; W197-I242 HydrophobicContact CH2-CD1 3.39Å; W197-I242 HydrophobicContact CZ2-CD1 3.23Å
198D90.9Very high90.5Very high71 Ų7142.5 Ų42.538%0.3823%0.233SC..Hα-helixtrans-60.1-37.8179.9-68.5-21.7000111.1Q194 C200 I201 N202Q194-D198 WeakPolarHBondContact O-CB 3.4Å; Q194-D198 VanDerWaalsContact O-CG 3.25Å; Q194-D198 PolarHBondContact O-N 3.12Å; D198-C200 VanDerWaalsContact C-N 3.34Å; D198-C200 PolarHBondContact O-N 2.77Å; D198-I201 PolarHBondContact O-N 2.76Å; D198-N202 WeakPolarHBondContact O-CB 3.03Å; D198-N202 PolarHBondContact O-N 3.42Å
199A92.9Very high89.8Confident1 Ų149.2 Ų49.21%0.00826%0.264CS..Hα-helixtrans-59.5-42.4173.700000112.7F161 L165 W171 F195 V196 W197 W203F161-A199 HydrophobicContact CE1-CB 4.17Å; F161-A199 HydrophobicContact CZ-CB 4.13Å; L165-A199 HydrophobicContact CD1-CB 3.73Å; L165-A199 HydrophobicContact CD2-CB 3.48Å; L165-A199 VanDerWaalsContact CD2-CB 3.48Å; L165-A199 HydrophobicContact CG-CB 4.25Å; W171-A199 HydrophobicContact CZ2-CB 3.8Å; W171-A199 PolarHBondContact NE1-O 2.87Å; F195-A199 WeakPolarHBondContact O-CB 3.43Å; F195-A199 PolarHBondContact O-N 2.81Å; V196-A199 WeakPolarHBondContact O-CB 3.47Å; V196-A199 PolarHBondContact O-N 2.86Å; W197-A199 PolarHBondContact O-N 3.28Å; A199-W203 WeakPolarHBondContact O-CB 3.4Å; A199-W203 PolarHBondContact O-N 3.24Å; A199-W203 VanDerWaalsContact O-N 3.12Å
200C92.8Very high89.3Confident0 Ų048.9 Ų48.90%027%0.266CS..Hα-helixtrans-69.5-46.2178.4-67.50000111.4V196 W197 D198 W203 V204 L218 I222V196-C200 PolarHBondContact O-N 3.38Å; V196-C200 PolarHBondContact O-SG 3.03Å; W197-C200 WeakPolarHBondContact O-CB 3.37Å; W197-C200 PolarHBondContact O-N 3.33Å; D198-C200 VanDerWaalsContact C-N 3.34Å; D198-C200 PolarHBondContact O-N 2.77Å; C200-W203 PolarHBondContact O-N 3.44Å; C200-V204 WeakPolarHBondContact O-CG2 3.46Å; C200-V204 PolarHBondContact O-N 3.21Å; C200-L218 HydrophobicContact CB-CB 4.2Å; C200-L218 HydrophobicContact CB-CD1 4.47Å; C200-I222 HydrophobicContact CB-CD1 4.38Å
201I90.8Very high89Confident14 Ų1449.3 Ų49.37%0.07226%0.264CS..Hα-helixtrans-62.9-49.2179.2-64.1-56.8000110.7W197 D198 W203 V204 D205 L215 L241 I242W197-I201 HydrophobicContact CG-CG1 4.48Å; W197-I201 HydrophobicContact CZ2-CD1 4.38Å; W197-I201 WeakPolarHBondContact O-CG1 3.21Å; W197-I201 PolarHBondContact O-N 3.3Å; D198-I201 PolarHBondContact O-N 2.76Å; I201-W203 VanDerWaalsContact C-N 3.29Å; I201-W203 PolarHBondContact O-N 2.89Å; I201-V204 PolarHBondContact O-N 2.97Å; I201-D205 WeakPolarHBondContact CG2-OD2 3.32Å; I201-D205 WeakPolarHBondContact O-CB 3.43Å; I201-D205 PolarHBondContact O-N 3.09Å; I201-L215 HydrophobicContact CD1-CD1 3.93Å; I201-L241 HydrophobicContact CD1-CD1 4.34Å; I201-L241 HydrophobicContact CG2-CD1 4.19Å; I201-I242 HydrophobicContact CD1-CD1 3.97Å
202N91Very high88.6Confident74 Ų7445.8 Ų45.840%0.39624%0.24SC..Hα-helixtrans-59.8-39.7178.6-17214.4000111.9D198 V204 D205 Q206D198-N202 WeakPolarHBondContact O-CB 3.03Å; D198-N202 PolarHBondContact O-N 3.42Å; N202-V204 PolarHBondContact O-N 3.01Å; N202-D205 PolarHBondContact O-N 2.9Å; N202-Q206 PolarHBondContact O-N 3.03Å
203W94.1Very high87.9Confident7 Ų747.5 Ų47.53%0.02725%0.248CC..Hα-helixtrans-64.2-39.1175.1-174.692.4000112.6L174 I176 V179 A199 C200 I201 R211 Y214 L218L174-W203 PolarHBondContact O-NE1 3.06Å; I176-W203 HydrophobicContact CB-CH2 3.92Å; I176-W203 HydrophobicContact CB-CZ2 4.12Å; I176-W203 HydrophobicContact CG1-CH2 4.36Å; V179-W203 HydrophobicContact CG2-CD2 4.39Å; V179-W203 HydrophobicContact CG2-CG 4.18Å; A199-W203 WeakPolarHBondContact O-CB 3.4Å; A199-W203 PolarHBondContact O-N 3.24Å; A199-W203 VanDerWaalsContact O-N 3.12Å; C200-W203 PolarHBondContact O-N 3.44Å; I201-W203 VanDerWaalsContact C-N 3.29Å; I201-W203 PolarHBondContact O-N 2.89Å; W203-R211 HydrophobicContact CE3-CB 4.34Å; W203-R211 HydrophobicContact CE3-CG 4.43Å; W203-R211 HydrophobicContact CH2-CB 4.31Å; W203-R211 HydrophobicContact CH2-CG 3.86Å; W203-R211 HydrophobicContact CZ3-CB 3.78Å; W203-R211 HydrophobicContact CZ3-CG 3.81Å; W203-R211 VanDerWaalsContact O-CD 3.23Å; W203-R211 WeakPolarHBondContact O-CD 3.04Å; W203-R211 PolarHBondContact O-NH1 2.9Å; W203-Y214 HydrophobicContact CH2-CD2 4.24Å; W203-Y214 HydrophobicContact CZ3-CD2 4.37Å; W203-L218 HydrophobicContact CE3-CD1 3.73Å; W203-L218 HydrophobicContact CZ3-CD1 3.99Å
204V89.8Confident87.4Confident0 Ų051.5 Ų51.50%026%0.264CS..Hα-helixtrans-70.8-42.8176.2174.50000111.1C200 I201 N202 Q206 S207 S208 R211 I212 L215 L218 L241C200-V204 WeakPolarHBondContact O-CG2 3.46Å; C200-V204 PolarHBondContact O-N 3.21Å; I201-V204 PolarHBondContact O-N 2.97Å; N202-V204 PolarHBondContact O-N 3.01Å; V204-Q206 VanDerWaalsContact C-N 3.26Å; V204-Q206 PolarHBondContact O-N 2.85Å; V204-S207 CarbonylContact O-C 3.58Å; V204-S207 PolarHBondContact O-N 3.42Å; V204-S208 VanDerWaalsContact O-CA 3.28Å; V204-S208 WeakPolarHBondContact O-CA 3.35Å; V204-S208 PolarHBondContact O-N 3.3Å; V204-R211 HydrophobicContact CG1-CB 4.29Å; V204-I212 HydrophobicContact CG1-CD1 4.21Å; V204-L215 HydrophobicContact CG2-CB 4.33Å; V204-L215 HydrophobicContact CG2-CD1 4.17Å; V204-L218 HydrophobicContact CG2-CD1 3.65Å; V204-L241 HydrophobicContact CB-CD1 4.29Å; V204-L241 HydrophobicContact CG1-CD1 3.9Å
205D88.2Confident87.1Confident83 Ų8348.3 Ų48.344%0.44425%0.249SC..Hα-helixtrans-58.4-35.1-177.8-87.6-27.8000113.2I201 N202 S207 L241I201-D205 WeakPolarHBondContact CG2-OD2 3.32Å; I201-D205 WeakPolarHBondContact O-CB 3.43Å; I201-D205 PolarHBondContact O-N 3.09Å; N202-D205 PolarHBondContact O-N 2.9Å; D205-S207 PolarHBondContact O-N 3.13Å; D205-L241 WeakPolarHBondContact OD1-CD1 3.49Å
206Q87.2Confident86.4Confident102 Ų10249.4 Ų49.448%0.47726%0.263SS..THydrogen-bonded Turntrans-54.2-30.3175.8-17763.210.100113T172 N202 V204T172-Q206 HydrophobicContact CG2-CB 4.43Å; N202-Q206 PolarHBondContact O-N 3.03Å; V204-Q206 VanDerWaalsContact C-N 3.26Å; V204-Q206 PolarHBondContact O-N 2.85Å
207S85.1Confident85.6Confident49 Ų4953.7 Ų53.734%0.34328%0.283SS..THydrogen-bonded Turntrans-150.560.8175.1-65.70000110.8V204 D205 E209 T210 R211V204-S207 CarbonylContact O-C 3.58Å; V204-S207 PolarHBondContact O-N 3.42Å; D205-S207 PolarHBondContact O-N 3.13Å; S207-E209 PolarHBondContact O-N 2.94Å; S207-E209 VanDerWaalsContact O-N 3.08Å; S207-T210 WeakPolarHBondContact CB-OG1 3.41Å; S207-T210 PolarHBondContact O-N 2.93Å; S207-T210 PolarHBondContact O-OG1 3.44Å; S207-R211 WeakPolarHBondContact O-CB 3.34Å; S207-R211 PolarHBondContact O-N 3.02Å
208S82.6Confident85.4Confident39 Ų3953.1 Ų53.127%0.27328%0.281SS..Hα-helixtrans-51.6-38.3-173.857.70000112.9V204 T210 I212V204-S208 VanDerWaalsContact O-CA 3.28Å; V204-S208 WeakPolarHBondContact O-CA 3.35Å; V204-S208 PolarHBondContact O-N 3.3Å; S208-T210 VanDerWaalsContact C-N 3.29Å; S208-T210 PolarHBondContact O-N 3.05Å; S208-I212 WeakPolarHBondContact O-CB 3.25Å; S208-I212 VanDerWaalsContact O-CG2 3.27Å; S208-I212 WeakPolarHBondContact O-CG2 3.31Å; S208-I212 PolarHBondContact O-N 3.39Å; S208-I212 VanDerWaalsContact O-N 3.14Å
209E77Confident85.1Confident155 Ų15551 Ų5172%0.72427%0.27SS*.Hα-helixtrans-58.1-35.5178.6-62.7-174.5174.300114.6S207S207-E209 PolarHBondContact O-N 2.94Å; S207-E209 VanDerWaalsContact O-N 3.08Å
210T81Confident84.5Confident92 Ų9251.7 Ų51.756%0.56427%0.274SS*.Hα-helixtrans-105.1-28.2-176.459.20000112.5S207 S208 V213S207-T210 WeakPolarHBondContact CB-OG1 3.41Å; S207-T210 PolarHBondContact O-N 2.93Å; S207-T210 PolarHBondContact O-OG1 3.44Å; S208-T210 VanDerWaalsContact C-N 3.29Å; S208-T210 PolarHBondContact O-N 3.05Å; T210-V213 WeakPolarHBondContact O-CG2 3.47Å
211R86.5Confident84.2Confident38 Ų3853.7 Ų53.714%0.14328%0.283CS..Hα-helixtrans-95.6-17.9-171.5-66.4-179.5-178.5-173.9-1.8114.2T172 W203 V204 S207 V213 Y214T172-R211 PolarHBondContact O-NH1 3.37Å; T172-R211 PolarHBondContact O-NH2 3.08Å; W203-R211 HydrophobicContact CE3-CB 4.34Å; W203-R211 HydrophobicContact CE3-CG 4.43Å; W203-R211 HydrophobicContact CH2-CB 4.31Å; W203-R211 HydrophobicContact CH2-CG 3.86Å; W203-R211 HydrophobicContact CZ3-CB 3.78Å; W203-R211 HydrophobicContact CZ3-CG 3.81Å; W203-R211 VanDerWaalsContact O-CD 3.23Å; W203-R211 WeakPolarHBondContact O-CD 3.04Å; W203-R211 PolarHBondContact O-NH1 2.9Å; V204-R211 HydrophobicContact CG1-CB 4.29Å; S207-R211 WeakPolarHBondContact O-CB 3.34Å; S207-R211 PolarHBondContact O-N 3.02Å; R211-V213 PolarHBondContact O-N 3.17Å; R211-V213 VanDerWaalsContact O-N 3.09Å; R211-Y214 WeakPolarHBondContact O-CB 3.48Å; R211-Y214 PolarHBondContact O-N 2.95Å
212I80.8Confident84Confident27 Ų2753.3 Ų53.314%0.13828%0.281CS..G310 helixtrans-55.7-31.4-178.9-169.460.5000113.1V204 S208 Y214 L215 L241V204-I212 HydrophobicContact CG1-CD1 4.21Å; S208-I212 WeakPolarHBondContact O-CB 3.25Å; S208-I212 VanDerWaalsContact O-CG2 3.27Å; S208-I212 WeakPolarHBondContact O-CG2 3.31Å; S208-I212 PolarHBondContact O-N 3.39Å; S208-I212 VanDerWaalsContact O-N 3.14Å; I212-Y214 PolarHBondContact O-N 3.07Å; I212-Y214 VanDerWaalsContact O-N 3.16Å; I212-L215 HydrophobicContact CD1-CB 4.17Å; I212-L215 HydrophobicContact CD1-CD2 3.7Å; I212-L215 VanDerWaalsContact O-CB 3.3Å; I212-L215 WeakPolarHBondContact O-CB 3.06Å; I212-L215 PolarHBondContact O-N 3.46Å; I212-L241 HydrophobicContact CD1-CB 3.87Å; I212-L241 HydrophobicContact CD1-CD2 4.03Å; I212-L241 HydrophobicContact CD1-CG 4.42Å
213V76Confident83.9Confident77 Ų7751.8 Ų51.847%0.46727%0.27SS..G310 helixtrans-60.9-24.2177-61.70000113.1T210 R211 Y300T210-V213 WeakPolarHBondContact O-CG2 3.47Å; R211-V213 PolarHBondContact O-N 3.17Å; R211-V213 VanDerWaalsContact O-N 3.09Å; V213-Y300 HydrophobicContact CG1-CE1 4.3Å; V213-Y300 VanDerWaalsContact CG1-OH 3.29Å; V213-Y300 WeakPolarHBondContact CG1-OH 3.46Å
214Y81.1Confident83.3Confident96 Ų9653.1 Ų53.138%0.37628%0.277SS..G310 helixtrans-92.2-11.1179.2-58.4-63.8000113.2I176 W203 R211 I212 Q217 L218I176-Y214 VanDerWaalsContact CD1-CB 3.48Å; I176-Y214 HydrophobicContact CD1-CD1 3.26Å; I176-Y214 HydrophobicContact CD1-CD2 4.14Å; I176-Y214 HydrophobicContact CD1-CE1 3.98Å; I176-Y214 HydrophobicContact CD1-CG 3.37Å; W203-Y214 HydrophobicContact CH2-CD2 4.24Å; W203-Y214 HydrophobicContact CZ3-CD2 4.37Å; R211-Y214 WeakPolarHBondContact O-CB 3.48Å; R211-Y214 PolarHBondContact O-N 2.95Å; I212-Y214 PolarHBondContact O-N 3.07Å; I212-Y214 VanDerWaalsContact O-N 3.16Å; Y214-Q217 WeakPolarHBondContact O-CA 3.31Å; Y214-Q217 WeakPolarHBondContact O-CB 3.5Å; Y214-Q217 PolarHBondContact O-N 3.25Å; Y214-L218 WeakPolarHBondContact O-CG 3.33Å; Y214-L218 PolarHBondContact O-N 3.33Å
215L83.6Confident82.9Confident7 Ų758.8 Ų58.84%0.03730%0.302CS..Hα-helixtrans-55-45.6-179.5-179.164.3000112.2I201 V204 I212 Q217 L218 L219 L241 I242I201-L215 HydrophobicContact CD1-CD1 3.93Å; V204-L215 HydrophobicContact CG2-CB 4.33Å; V204-L215 HydrophobicContact CG2-CD1 4.17Å; I212-L215 HydrophobicContact CD1-CB 4.17Å; I212-L215 HydrophobicContact CD1-CD2 3.7Å; I212-L215 VanDerWaalsContact O-CB 3.3Å; I212-L215 WeakPolarHBondContact O-CB 3.06Å; I212-L215 PolarHBondContact O-N 3.46Å; L215-Q217 VanDerWaalsContact C-N 3.25Å; L215-Q217 PolarHBondContact O-N 3.11Å; L215-L218 PolarHBondContact O-N 3.48Å; L215-L219 HydrophobicContact CD1-CD1 4.04Å; L215-L219 HydrophobicContact CD1-CD2 4.06Å; L215-L219 HydrophobicContact CD1-CG 3.78Å; L215-L219 HydrophobicContact CD2-CD1 4.45Å; L215-L219 HydrophobicContact CG-CD1 3.88Å; L215-L219 HydrophobicContact CG-CG 4.04Å; L215-L219 WeakPolarHBondContact O-CB 3.33Å; L215-L219 VanDerWaalsContact O-CG 3.26Å; L215-L219 WeakPolarHBondContact O-CG 3.49Å; L215-L219 PolarHBondContact O-N 3.38Å; L215-L241 HydrophobicContact CD2-CB 3.99Å; L215-I242 HydrophobicContact CD2-CD1 4.5Å; L215-I242 HydrophobicContact CD2-CG1 3.85Å
216P77.1Confident82.8Confident93 Ų9361.7 Ų61.760%0.60431%0.308SS*.Hα-helixtrans-58.6-36.7175.7-24.435.2000113.4S220P216-S220 WeakPolarHBondContact O-CB 3.34Å; P216-S220 PolarHBondContact O-N 2.93Å; P216-S220 VanDerWaalsContact O-N 3.09Å
217Q77.2Confident82.8Confident90 Ų9057.7 Ų57.742%0.42129%0.29SS..Hα-helixtrans-68.2-45.9177-174.3179.24.100110.9I180 Y214 L215 S220 H221I180-Q217 HydrophobicContact CD1-CG 3.91Å; Y214-Q217 WeakPolarHBondContact O-CA 3.31Å; Y214-Q217 WeakPolarHBondContact O-CB 3.5Å; Y214-Q217 PolarHBondContact O-N 3.25Å; L215-Q217 VanDerWaalsContact C-N 3.25Å; L215-Q217 PolarHBondContact O-N 3.11Å; Q217-S220 WeakPolarHBondContact O-CB 3.21Å; Q217-S220 PolarHBondContact O-N 2.73Å; Q217-S220 PolarHBondContact O-OG 3.45Å; Q217-H221 PolarHBondContact O-CD2 3.22Å
218L87Confident82.9Confident0 Ų061.5 Ų61.50%030%0.302CS..Hα-helixtrans-60.4-49.9176.2-66.9169.3000111.4V179 I180 I183 C200 W203 V204 Y214 L215 S220 H221V179-L218 HydrophobicContact CG1-CD2 3.74Å; I180-L218 HydrophobicContact CG1-CD2 4.18Å; I183-L218 HydrophobicContact CD1-CB 4.37Å; I183-L218 HydrophobicContact CD1-CD2 3.72Å; C200-L218 HydrophobicContact CB-CB 4.2Å; C200-L218 HydrophobicContact CB-CD1 4.47Å; W203-L218 HydrophobicContact CE3-CD1 3.73Å; W203-L218 HydrophobicContact CZ3-CD1 3.99Å; V204-L218 HydrophobicContact CG2-CD1 3.65Å; Y214-L218 WeakPolarHBondContact O-CG 3.33Å; Y214-L218 PolarHBondContact O-N 3.33Å; L215-L218 PolarHBondContact O-N 3.48Å; L218-S220 PolarHBondContact O-N 2.87Å; L218-S220 VanDerWaalsContact O-N 3.15Å; L218-H221 PolarHBondContact O-N 2.96Å
219L84.8Confident82.9Confident28 Ų2866.1 Ų66.115%0.14732%0.317CS..Hα-helixtrans-62.3-22.1178.3-65.4-176.6000113.1W197 L215 H221 I222 I242W197-L219 HydrophobicContact CD2-CD2 4.48Å; W197-L219 HydrophobicContact CE3-CD2 3.73Å; W197-L219 HydrophobicContact CH2-CD2 3.98Å; W197-L219 HydrophobicContact CZ3-CD2 3.45Å; W197-L219 VanDerWaalsContact CZ3-CD2 3.45Å; L215-L219 HydrophobicContact CD1-CD1 4.04Å; L215-L219 HydrophobicContact CD1-CD2 4.06Å; L215-L219 HydrophobicContact CD1-CG 3.78Å; L215-L219 HydrophobicContact CD2-CD1 4.45Å; L215-L219 HydrophobicContact CG-CD1 3.88Å; L215-L219 HydrophobicContact CG-CG 4.04Å; L215-L219 WeakPolarHBondContact O-CB 3.33Å; L215-L219 VanDerWaalsContact O-CG 3.26Å; L215-L219 WeakPolarHBondContact O-CG 3.49Å; L215-L219 PolarHBondContact O-N 3.38Å; L219-H221 VanDerWaalsContact C-N 3.28Å; L219-H221 PolarHBondContact O-N 3.38Å; L219-I222 HydrophobicContact CD2-CD1 3.64Å; L219-I242 HydrophobicContact CD1-CD1 4.35Å
220S81.5Confident83.2Confident14 Ų1464.3 Ų64.310%0.09831%0.308CS..Hα-helixtrans-71.9-20.8176.178.50000113.6P216 Q217 L218 V565P216-S220 WeakPolarHBondContact O-CB 3.34Å; P216-S220 PolarHBondContact O-N 2.93Å; P216-S220 VanDerWaalsContact O-N 3.09Å; Q217-S220 WeakPolarHBondContact O-CB 3.21Å; Q217-S220 PolarHBondContact O-N 2.73Å; Q217-S220 PolarHBondContact O-OG 3.45Å; L218-S220 PolarHBondContact O-N 2.87Å; L218-S220 VanDerWaalsContact O-N 3.15Å; S220-V565 WeakPolarHBondContact O-CG1 3.42Å
221H85.3Confident83.4Confident43 Ų4360.6 Ų60.620%0.19929%0.285CS..Hα-helixtrans-91.5-14.1177.5-67.5-70.6000113.3I183 Q217 L218 L219I183-H221 HydrophobicContact CD1-CB 3.88Å; I183-H221 HydrophobicContact CG1-CB 3.86Å; Q217-H221 PolarHBondContact O-CD2 3.22Å; L218-H221 PolarHBondContact O-N 2.96Å; L219-H221 VanDerWaalsContact C-N 3.28Å; L219-H221 PolarHBondContact O-N 3.38Å
222I88.1Confident83.2Confident6 Ų661 Ų613%0.03129%0.29CS..SBendtrans-74.2130.9178.1-59.7-179.2000109.6E193 V196 W197 C200 L219 L224 L227E193-I222 WeakPolarHBondContact OE2-CG2 3.35Å; V196-I222 HydrophobicContact CG1-CG1 4.23Å; W197-I222 HydrophobicContact CB-CD1 4.29Å; W197-I222 HydrophobicContact CE3-CD1 3.85Å; C200-I222 HydrophobicContact CB-CD1 4.38Å; L219-I222 HydrophobicContact CD2-CD1 3.64Å; I222-L224 HydrophobicContact CB-CD2 4.22Å; I222-L224 HydrophobicContact CB-CG 4.42Å; I222-L224 HydrophobicContact CG2-CD2 3.78Å; I222-L224 HydrophobicContact CG2-CG 4.21Å; I222-L224 PolarHBondContact O-N 3Å; I222-L227 HydrophobicContact CG2-CD1 4.06Å
223R87.4Confident83Confident42 Ų4263 Ų6316%0.15830%0.299CS..  trans-78.674.7175.1-60.9100.2173.8176.14.9110.6S185 D186 E193 K225 Y226S185-R223 PolarHBondContact O-NH1 3.19Å; S185-R223 PolarHBondContact O-NH2 2.92Å; D186-R223 IonicContact OD1-CZ 3.77Å; D186-R223 IonicContact OD1-NE 2.87Å; D186-R223 IonicContact OD1-NH2 3.51Å; D186-R223 PolarHBondContact OD1-NH2 3.26Å; E193-R223 HydrophobicContact CG-CB 4.17Å; E193-R223 WeakPolarHBondContact OE1-CD 3.47Å; E193-R223 IonicContact OE1-CZ 2.7Å; E193-R223 IonicContact OE1-NE 3.19Å; E193-R223 IonicContact OE1-NH1 3.4Å; E193-R223 PolarHBondContact OE1-NH1 3.06Å; E193-R223 VanDerWaalsContact OE1-NH1 3.12Å; R223-K225 PolarHBondContact O-N 2.86Å; R223-Y226 HydrophobicContact CB-CD2 3.57Å; R223-Y226 HydrophobicContact CB-CE2 4.02Å; R223-Y226 HydrophobicContact CG-CD2 4.35Å; R223-Y226 HydrophobicContact CG-CE2 4.41Å; R223-Y226 PolarHBondContact O-N 3.08Å
224L82.2Confident83.2Confident35 Ų3563.2 Ų63.218%0.18330%0.296CS..G310 helixtrans-55.5-21-173.1-63.5165.6000114.7W197 I222 Y226 L227 L232W197-L224 HydrophobicContact CE3-CD2 4.26Å; W197-L224 HydrophobicContact CZ3-CD2 4Å; I222-L224 HydrophobicContact CB-CD2 4.22Å; I222-L224 HydrophobicContact CB-CG 4.42Å; I222-L224 HydrophobicContact CG2-CD2 3.78Å; I222-L224 HydrophobicContact CG2-CG 4.21Å; I222-L224 PolarHBondContact O-N 3Å; L224-Y226 PolarHBondContact O-N 3.3Å; L224-L227 HydrophobicContact CD2-CD1 3.36Å; L224-L227 HydrophobicContact CG-CD1 4.43Å; L224-L227 PolarHBondContact O-N 3.45Å; L224-L232 HydrophobicContact CD2-CD2 4.36Å
225K81.5Confident83.3Confident118 Ų11860.5 Ų60.551%0.51329%0.287SS..G310 helixtrans-61.5-21.1171.660.3171.7164.9166.10114.4R223 D567R223-K225 PolarHBondContact O-N 2.86Å; K225-D567 WeakPolarHBondContact CE-OD2 3.43Å; K225-D567 IonicContact NZ-OD2 3.92Å; K225-D567 PolarHBondContact NZ-OD2 3.21Å
226Y86.6Confident82.7Confident145 Ų14562.7 Ų62.757%0.56930%0.298SS*.G310 helixtrans-100.92.5179.1-58.8-51.6000112.9E193 R223 L224E193-Y226 HydrophobicContact CG-CD2 4.48Å; R223-Y226 HydrophobicContact CB-CD2 3.57Å; R223-Y226 HydrophobicContact CB-CE2 4.02Å; R223-Y226 HydrophobicContact CG-CD2 4.35Å; R223-Y226 HydrophobicContact CG-CE2 4.41Å; R223-Y226 PolarHBondContact O-N 3.08Å; L224-Y226 PolarHBondContact O-N 3.3Å
227L87.4Confident82.3Confident18 Ų1862.9 Ų62.99%0.09429%0.291CS..SBendtrans-84.7143171.3-69.4176.3000110.8E193 Q194 W197 I222 L224 M231 L232E193-L227 HydrophobicContact CB-CD2 3.58Å; E193-L227 HydrophobicContact CB-CG 3.99Å; Q194-L227 HydrophobicContact CB-CD2 4.33Å; Q194-L227 VanDerWaalsContact N-CD2 3.32Å; W197-L227 HydrophobicContact CE3-CD1 3.97Å; W197-L227 HydrophobicContact CZ3-CD1 4.48Å; I222-L227 HydrophobicContact CG2-CD1 4.06Å; L224-L227 HydrophobicContact CD2-CD1 3.36Å; L224-L227 HydrophobicContact CG-CD1 4.43Å; L224-L227 PolarHBondContact O-N 3.45Å; L227-M231 HydrophobicContact CB-CE 4.46Å; L227-M231 HydrophobicContact CD1-CE 3.85Å; L227-M231 HydrophobicContact CD2-CE 4.08Å; L227-M231 HydrophobicContact CD2-SD 3.77Å; L227-M231 HydrophobicContact CG-CE 4.39Å; L227-L232 HydrophobicContact CB-CD1 4.2Å; L227-L232 HydrophobicContact CB-CG 4.2Å; L227-L232 HydrophobicContact CD1-CD2 3.8Å; L227-L232 HydrophobicContact CD1-CG 4.34Å
228E86.9Confident82.2Confident128 Ų12865.6 Ų65.660%0.59830%0.304SS*.  trans-67140.4172.5-64.5-176.5173.600110.3E230 M231 L232E228-E230 VanDerWaalsContact C-N 3.32Å; E228-E230 PolarHBondContact O-N 3.2Å; E228-M231 HydrophobicContact CB-CB 4.28Å; E228-M231 WeakPolarHBondContact O-CB 3.34Å; E228-M231 PolarHBondContact O-N 3.03Å; E228-L232 PolarHBondContact O-N 2.77Å
229K82.9Confident81.6Confident137 Ų13766.4 Ų66.460%0.59631%0.308SS*.Hα-helixtrans-63.3-42.5-176.7-174.1-175.8178.8-116.60110.8M231 L232 E233K229-M231 VanDerWaalsContact C-N 3.29Å; K229-M231 PolarHBondContact O-N 3.4Å; K229-L232 PolarHBondContact O-N 3.32Å; K229-E233 WeakPolarHBondContact CE-OE1 3.3Å; K229-E233 IonicContact NZ-OE1 2.72Å; K229-E233 PolarHBondContact NZ-OE1 3.44Å; K229-E233 WeakPolarHBondContact O-CG 3.4Å; K229-E233 PolarHBondContact O-N 3.17Å
230E82.6Confident81Confident116 Ų11669.2 Ų69.254%0.54233%0.328SS..Hα-helixtrans-60.4-39.8179.6-63.779.6-176.500111.3E228 E233 I234E228-E230 VanDerWaalsContact C-N 3.32Å; E228-E230 PolarHBondContact O-N 3.2Å; E230-E233 PolarHBondContact O-N 2.83Å; E230-I234 VanDerWaalsContact O-CG1 3.28Å; E230-I234 WeakPolarHBondContact O-CG1 3.37Å; E230-I234 PolarHBondContact O-N 3.4Å
231M85.1Confident80.5Confident15 Ų1569.9 Ų69.97%0.07433%0.33CS..Hα-helixtrans-63.4-45.6176.2-173.3-132.879.900111.4Q194 W197 L227 E228 K229 E233 I234 Q235Q194-M231 HydrophobicContact CB-SD 4.01Å; Q194-M231 HydrophobicContact CG-CG 4.35Å; Q194-M231 HydrophobicContact CG-SD 3.73Å; W197-M231 HydrophobicContact CD2-CE 4.02Å; W197-M231 HydrophobicContact CE3-CE 4.37Å; W197-M231 HydrophobicContact CG-CE 4.19Å; L227-M231 HydrophobicContact CB-CE 4.46Å; L227-M231 HydrophobicContact CD1-CE 3.85Å; L227-M231 HydrophobicContact CD2-CE 4.08Å; L227-M231 HydrophobicContact CD2-SD 3.77Å; L227-M231 HydrophobicContact CG-CE 4.39Å; E228-M231 HydrophobicContact CB-CB 4.28Å; E228-M231 WeakPolarHBondContact O-CB 3.34Å; E228-M231 PolarHBondContact O-N 3.03Å; K229-M231 VanDerWaalsContact C-N 3.29Å; K229-M231 PolarHBondContact O-N 3.4Å; M231-E233 VanDerWaalsContact C-N 3.3Å; M231-E233 PolarHBondContact O-N 3.3Å; M231-I234 PolarHBondContact O-N 2.73Å; M231-Q235 HydrophobicContact CE-CG 4.1Å; M231-Q235 VanDerWaalsContact O-CG 3.26Å; M231-Q235 WeakPolarHBondContact O-CG 3.41Å; M231-Q235 PolarHBondContact O-N 3.37Å
232L81.4Confident79.8Confident47 Ų4769 Ų6925%0.24633%0.327CS..Hα-helixtrans-62.5-39.2176-72.6171.3000111.6W197 L224 L227 E228 K229 Q235 L236W197-L232 HydrophobicContact CH2-CD2 4.38Å; W197-L232 HydrophobicContact CZ3-CD2 4.19Å; L224-L232 HydrophobicContact CD2-CD2 4.36Å; L227-L232 HydrophobicContact CB-CD1 4.2Å; L227-L232 HydrophobicContact CB-CG 4.2Å; L227-L232 HydrophobicContact CD1-CD2 3.8Å; L227-L232 HydrophobicContact CD1-CG 4.34Å; E228-L232 PolarHBondContact O-N 2.77Å; K229-L232 PolarHBondContact O-N 3.32Å; L232-Q235 PolarHBondContact O-N 2.76Å; L232-L236 WeakPolarHBondContact O-CB 3.48Å; L232-L236 WeakPolarHBondContact O-CD1 3.49Å; L232-L236 VanDerWaalsContact O-CG 3.25Å; L232-L236 WeakPolarHBondContact O-CG 3.33Å; L232-L236 PolarHBondContact O-N 3.44Å
233E77.9Confident78.8Confident69 Ų6971.6 Ų71.632%0.32234%0.34SS..Hα-helixtrans-62.9-47.5177.4-72.7174.8173.700111.6K229 E230 M231 Q235 L236 Q237 I342K229-E233 WeakPolarHBondContact CE-OE1 3.3Å; K229-E233 IonicContact NZ-OE1 2.72Å; K229-E233 PolarHBondContact NZ-OE1 3.44Å; K229-E233 WeakPolarHBondContact O-CG 3.4Å; K229-E233 PolarHBondContact O-N 3.17Å; E230-E233 PolarHBondContact O-N 2.83Å; M231-E233 VanDerWaalsContact C-N 3.3Å; M231-E233 PolarHBondContact O-N 3.3Å; E233-Q235 PolarHBondContact O-N 2.83Å; E233-L236 PolarHBondContact O-N 3.44Å; E233-Q237 WeakPolarHBondContact O-CB 3.26Å; E233-Q237 WeakPolarHBondContact O-CG 3.47Å; E233-Q237 PolarHBondContact O-N 3.27Å; E233-Q237 VanDerWaalsContact O-N 3.11Å; E233-I342 VanDerWaalsContact CA-CD1 3.41Å; E233-I342 HydrophobicContact CB-CD1 3.76Å; E233-I342 HydrophobicContact CG-CD1 3.79Å; E233-I342 WeakPolarHBondContact O-CD1 3.33Å
234I80.7Confident77.7Confident80 Ų8070.1 Ų70.141%0.4134%0.337SS..Hα-helixtrans-59.5-46.9176-68.2164.8000110.7E230 M231 L236 Q237 E238E230-I234 VanDerWaalsContact O-CG1 3.28Å; E230-I234 WeakPolarHBondContact O-CG1 3.37Å; E230-I234 PolarHBondContact O-N 3.4Å; M231-I234 PolarHBondContact O-N 2.73Å; I234-L236 PolarHBondContact O-N 3Å; I234-Q237 PolarHBondContact O-N 3.15Å; I234-E238 HydrophobicContact CG2-CG 4.29Å; I234-E238 WeakPolarHBondContact CG2-OE2 3.15Å; I234-E238 WeakPolarHBondContact O-CB 3.36Å; I234-E238 PolarHBondContact O-N 2.99Å
235Q81.3Confident77.1Confident40 Ų4069.3 Ų69.319%0.18734%0.337CS..Hα-helixtrans-63.6-40.1-179.3-69.5-67.8-45.700112.5W197 M231 L232 E233 Q237 N239W197-Q235 HydrophobicContact CZ2-CB 3.73Å; W197-Q235 HydrophobicContact CZ2-CG 3.79Å; M231-Q235 HydrophobicContact CE-CG 4.1Å; M231-Q235 VanDerWaalsContact O-CG 3.26Å; M231-Q235 WeakPolarHBondContact O-CG 3.41Å; M231-Q235 PolarHBondContact O-N 3.37Å; L232-Q235 PolarHBondContact O-N 2.76Å; E233-Q235 PolarHBondContact O-N 2.83Å; Q235-Q237 VanDerWaalsContact C-N 3.25Å; Q235-Q237 PolarHBondContact O-N 3.42Å; Q235-N239 WeakPolarHBondContact O-CB 3.41Å; Q235-N239 PolarHBondContact O-N 3.18Å; Q235-N239 PolarHBondContact OE1-ND2 3.31Å
236L71.9Confident76.8Confident52 Ų5267.8 Ų67.827%0.27234%0.338SS..Hα-helixtrans-68.5-24177.2-74.4167.4000113.4L232 E233 I234 I242 A244 I342L232-L236 WeakPolarHBondContact O-CB 3.48Å; L232-L236 WeakPolarHBondContact O-CD1 3.49Å; L232-L236 VanDerWaalsContact O-CG 3.25Å; L232-L236 WeakPolarHBondContact O-CG 3.33Å; L232-L236 PolarHBondContact O-N 3.44Å; E233-L236 PolarHBondContact O-N 3.44Å; I234-L236 PolarHBondContact O-N 3Å; L236-I242 HydrophobicContact CD2-CG2 3.77Å; L236-A244 HydrophobicContact CD2-CB 4.33Å; L236-I342 HydrophobicContact CB-CD1 3.68Å; L236-I342 HydrophobicContact CB-CG1 3.87Å; L236-I342 HydrophobicContact CD1-CD1 3.95Å; L236-I342 HydrophobicContact CD1-CG1 4.3Å; L236-I342 HydrophobicContact CD1-CG2 3.99Å; L236-I342 HydrophobicContact CG-CD1 4.48Å
237Q69.1Low76.7Confident97 Ų9762.7 Ų62.745%0.45332%0.32SS..Hα-helixtrans-89.4-40.8178.4-73.9176.9-13.100112.7E233 I234 Q235 L340 I342E233-Q237 WeakPolarHBondContact O-CB 3.26Å; E233-Q237 WeakPolarHBondContact O-CG 3.47Å; E233-Q237 PolarHBondContact O-N 3.27Å; E233-Q237 VanDerWaalsContact O-N 3.11Å; I234-Q237 PolarHBondContact O-N 3.15Å; Q235-Q237 VanDerWaalsContact C-N 3.25Å; Q235-Q237 PolarHBondContact O-N 3.42Å; Q237-L340 PolarHBondContact NE2-O 2.93Å; Q237-I342 HydrophobicContact CG-CD1 4.11Å; Q237-I342 HydrophobicContact CG-CG1 4.19Å
238E74.4Confident76.7Confident147 Ų14764.1 Ų64.169%0.68733%0.327SS*.Hα-helixtrans-107.3-25.6-166.8-59.9-172.616800113.9I234 P240I234-E238 HydrophobicContact CG2-CG 4.29Å; I234-E238 WeakPolarHBondContact CG2-OE2 3.15Å; I234-E238 WeakPolarHBondContact O-CB 3.36Å; I234-E238 PolarHBondContact O-N 2.99Å; E238-P240 VanDerWaalsContact O-CD 3.31Å; E238-P240 WeakPolarHBondContact O-CD 3.34Å
239N74.1Confident77Confident18 Ų1861.2 Ų61.210%0.09632%0.316CS..  trans-80.1114.8-172.9-167.2-35.9000111.4Q235 L241 I242Q235-N239 WeakPolarHBondContact O-CB 3.41Å; Q235-N239 PolarHBondContact O-N 3.18Å; Q235-N239 PolarHBondContact OE1-ND2 3.31Å; N239-L241 PolarHBondContact O-N 3.29Å; N239-L241 VanDerWaalsContact O-N 3.13Å; N239-L241 WeakPolarHBondContact OD1-CB 3.38Å; N239-L241 WeakPolarHBondContact OD1-CG 3.43Å; N239-L241 PolarHBondContact OD1-N 3.44Å; N239-I242 HydrophobicContact CB-CB 4.41Å; N239-I242 CarbonylContact O-C 3.54Å; N239-I242 PolarHBondContact O-N 3.43Å
240P72.7Confident77.5Confident87 Ų8755.2 Ų55.257%0.56529%0.291SS*.THydrogen-bonded Turntrans-67.5-15.7-178.429.7-36.6000113.8E238 N295E238-P240 VanDerWaalsContact O-CD 3.31Å; E238-P240 WeakPolarHBondContact O-CD 3.34Å; P240-N295 PolarHBondContact O-ND2 3.16Å
241L70.7Confident78.1Confident27 Ų2749.7 Ų49.714%0.14127%0.265CS..THydrogen-bonded Turntrans-78.7-25.2174.5-52.3-178.9000112.1I201 V204 D205 I212 L215 N239I201-L241 HydrophobicContact CD1-CD1 4.34Å; I201-L241 HydrophobicContact CG2-CD1 4.19Å; V204-L241 HydrophobicContact CB-CD1 4.29Å; V204-L241 HydrophobicContact CG1-CD1 3.9Å; D205-L241 WeakPolarHBondContact OD1-CD1 3.49Å; I212-L241 HydrophobicContact CD1-CB 3.87Å; I212-L241 HydrophobicContact CD1-CD2 4.03Å; I212-L241 HydrophobicContact CD1-CG 4.42Å; L215-L241 HydrophobicContact CD2-CB 3.99Å; N239-L241 PolarHBondContact O-N 3.29Å; N239-L241 VanDerWaalsContact O-N 3.13Å; N239-L241 WeakPolarHBondContact OD1-CB 3.38Å; N239-L241 WeakPolarHBondContact OD1-CG 3.43Å; N239-L241 PolarHBondContact OD1-N 3.44Å
242I71Confident78.6Confident24 Ų2453 Ų5312%0.12328%0.277CS..  trans-122.795.8-173-57.5170.4000108W197 I201 L215 L219 L236 N239W197-I242 HydrophobicContact CH2-CD1 3.39Å; W197-I242 HydrophobicContact CZ2-CD1 3.23Å; I201-I242 HydrophobicContact CD1-CD1 3.97Å; L215-I242 HydrophobicContact CD2-CD1 4.5Å; L215-I242 HydrophobicContact CD2-CG1 3.85Å; L219-I242 HydrophobicContact CD1-CD1 4.35Å; L236-I242 HydrophobicContact CD2-CG2 3.77Å; N239-I242 HydrophobicContact CB-CB 4.41Å; N239-I242 CarbonylContact O-C 3.54Å; N239-I242 PolarHBondContact O-N 3.43Å
243I66.7Low79.3Confident61 Ų6150.7 Ų50.731%0.31327%0.265SS..PPolyproline II helixtrans-98.6124.2177.2-54164.5000108G245 S293 N295I243-G245 PolarHBondContact O-N 2.86Å; I243-S293 WeakPolarHBondContact CB-OG 3.41Å; I243-S293 WeakPolarHBondContact CG2-OG 3.36Å; I243-S293 PolarHBondContact O-OG 2.84Å; I243-N295 HydrophobicContact CD1-CB 4.08Å
244A64.8Low80.1Confident11 Ų1150.1 Ų50.19%0.09126%0.261CS..PPolyproline II helixtrans-64.2126.2173.600000110L236 L340L236-A244 HydrophobicContact CD2-CB 4.33Å; A244-L340 HydrophobicContact CB-CD2 4.22Å
245G69.2Low80.7Confident18 Ų1846.7 Ų46.719%0.18624%0.243CC..PPolyproline II helixtrans-67.4150.7170.700000111.3I243 T291 P343I243-G245 PolarHBondContact O-N 2.86Å; G245-T291 WeakPolarHBondContact CA-O 2.78Å; G245-P343 WeakPolarHBondContact O-CG 3.28Å
246T75.7Confident81.1Confident86 Ų8646 Ų4653%0.52824%0.243SC..PPolyproline II helixtrans-93.1135176.3-43.80000109.9M248 V290 T291T246-M248 PolarHBondContact O-N 2.96Å; T246-V290 WeakPolarHBondContact O-CA 3.42Å; T246-T291 WeakPolarHBondContact CB-OG1 3.47Å; T246-T291 PolarHBondContact N-OG1 3.39Å; T246-T291 PolarHBondContact O-N 3.24Å
247L83.9Confident82Confident39 Ų3949.2 Ų49.220%0.20426%0.264CS..BIsolated β-bridgetrans-63.7131.2170.4-60.5176.4000109.9A270 A272 V290 P343 L345L247-A270 HydrophobicContact CB-CB 3.73Å; L247-A272 VanDerWaalsContact CD2-CA 3.46Å; L247-A272 HydrophobicContact CD2-CB 3.42Å; L247-A272 VanDerWaalsContact CD2-CB 3.42Å; L247-V290 HydrophobicContact CD2-CG2 3.94Å; L247-P343 HydrophobicContact CD1-CB 3.69Å; L247-P343 HydrophobicContact CG-CB 3.68Å; L247-P343 HydrophobicContact CG-CG 4.2Å; L247-L345 HydrophobicContact CD1-CD2 4.13Å; L247-L345 HydrophobicContact CD2-CD2 3.83Å
248M88.7Confident83Confident48 Ų4853.5 Ų53.524%0.23628%0.276CS..BIsolated β-bridgetrans-95.7131.8-177.2-61.5177.765.100110.4T246 S250 Y252 A270 R271 G288 G289 T291T246-M248 PolarHBondContact O-N 2.96Å; M248-S250 WeakPolarHBondContact CE-OG 3.3Å; M248-Y252 HydrophobicContact CE-CE2 4.43Å; M248-A270 WeakPolarHBondContact O-CA 3.46Å; M248-R271 PolarHBondContact O-N 2.79Å; M248-G288 VanDerWaalsContact O-CA 3.26Å; M248-G288 WeakPolarHBondContact O-CA 3.26Å; M248-G289 WeakPolarHBondContact CB-O 3.1Å; M248-G289 PolarHBondContact N-O 2.98Å; M248-T291 HydrophobicContact CE-CG2 4.48Å; M248-T291 HydrophobicContact CG-CG2 3.76Å; M248-T291 HydrophobicContact SD-CG2 3.66Å
249D92.6Very high83.9Confident67 Ų6750.6 Ų50.636%0.35827%0.272SS..  trans-96.7-8.3164.867.7-9.3000111.9C266 M267 A270D249-C266 HydrophobicContact CB-CB 4.21Å; D249-C266 CarbonylContact O-C 3.58Å; D249-C266 WeakPolarHBondContact O-CA 3.26Å; D249-C266 WeakPolarHBondContact OD2-CB 3.31Å; D249-M267 HydrophobicContact CB-CB 4.41Å; D249-M267 PolarHBondContact O-N 2.9Å; D249-A270 HydrophobicContact CB-CB 4.06Å
250S93.5Very high84.8Confident10 Ų1052 Ų527%0.0728%0.283CS..  trans-66.7146.5-171.263.80000112.2M248 Y252 G288M248-S250 WeakPolarHBondContact CE-OG 3.3Å; S250-Y252 WeakPolarHBondContact OG-CE2 3.45Å; S250-G288 PolarHBondContact O-N 3.16Å
251V95.5Very high85.9Confident0 Ų054.3 Ų54.30%028%0.281CS..EExtended strand (participates in β ladder)trans-125.9128.3177.7-176.30000107.8R264 K265 M267 F285 V286 F287 W361V251-R264 HydrophobicContact CB-CB 3.98Å; V251-R264 HydrophobicContact CG1-CB 3.87Å; V251-R264 HydrophobicContact CG1-CG 4.38Å; V251-R264 PolarHBondContact O-N 2.63Å; V251-K265 WeakPolarHBondContact CG2-O 3.38Å; V251-M267 HydrophobicContact CG2-CG 4.06Å; V251-F285 HydrophobicContact CG1-CD1 4.37Å; V251-V286 WeakPolarHBondContact CA-O 2.99Å; V251-F287 HydrophobicContact CB-CD1 4.45Å; V251-F287 HydrophobicContact CG1-CD1 3.78Å; V251-F287 HydrophobicContact CG1-CE1 3.67Å; V251-F287 HydrophobicContact CG1-CZ 4.33Å; V251-F287 HydrophobicContact CG2-CD1 3.89Å; V251-F287 HydrophobicContact CG2-CE1 4.37Å; V251-W361 HydrophobicContact CG2-CZ2 3.79Å
252Y95.1Very high87.1Confident84 Ų8454.8 Ų54.833%0.32929%0.286SS..EExtended strand (participates in β ladder)trans-123.5139178.8-66.8-80.9000110.6M248 S250 S262 Q263 F285 V286M248-Y252 HydrophobicContact CE-CE2 4.43Å; S250-Y252 WeakPolarHBondContact OG-CE2 3.45Å; Y252-S262 WeakPolarHBondContact CA-O 3.38Å; Y252-Q263 HydrophobicContact CD1-CB 4.08Å; Y252-Q263 HydrophobicContact CD1-CG 4.38Å; Y252-Q263 HydrophobicContact CE1-CB 3.88Å; Y252-Q263 HydrophobicContact CE1-CG 4Å; Y252-F285 CarbonylContact O-C 3.5Å; Y252-F285 WeakPolarHBondContact O-CA 3.44Å; Y252-V286 PolarHBondContact N-O 3.22Å; Y252-V286 PolarHBondContact O-N 3.14Å
253A95.3Very high88.2Confident0 Ų059 Ų590%031%0.305CS..EExtended strand (participates in β ladder)trans-114.2118.6172.300000109.6W261 S262 R264 I284 F285A253-W261 CarbonylContact O-C 3.55Å; A253-S262 PolarHBondContact N-O 3.15Å; A253-S262 PolarHBondContact O-N 3.05Å; A253-S262 PolarHBondContact O-OG 3.2Å; A253-R264 HydrophobicContact CB-CG 4.03Å; A253-I284 CarbonylContact C-O 3.56Å; A253-I284 WeakPolarHBondContact CA-O 3.31Å; A253-F285 HydrophobicContact CB-CD1 3.87Å; A253-F285 HydrophobicContact CB-CE1 3.64Å; A253-F285 HydrophobicContact CB-CG 4.42Å; A253-F285 HydrophobicContact CB-CZ 4.02Å
254Y95.2Very high89.6Confident57 Ų5759.3 Ų59.322%0.22430%0.303CS..EExtended strand (participates in β ladder)trans-91.2132.1170.3-179.5-112.1000110.2P256 W261 Y283 I284Y254-P256 HydrophobicContact CD1-CG 4.06Å; Y254-P256 HydrophobicContact CE1-CB 4.16Å; Y254-P256 HydrophobicContact CE1-CG 4.02Å; Y254-W261 AromaticContact CD2-CD1 3.82Å; Y254-W261 AromaticContact CD2-CD2 3.84Å; Y254-W261 HydrophobicContact CD2-CD2 3.84Å; Y254-W261 AromaticContact CD2-CE2 3.57Å; Y254-W261 HydrophobicContact CD2-CG 4.02Å; Y254-W261 HydrophobicContact CD2-CZ2 4.08Å; Y254-W261 AromaticContact CD2-NE1 3.52Å; Y254-W261 HydrophobicContact CG-CD2 4.26Å; Y254-W261 HydrophobicContact CG-CH2 4.42Å; Y254-W261 HydrophobicContact CG-CZ2 4.09Å; Y254-Y283 CarbonylContact O-C 3.49Å; Y254-Y283 VanDerWaalsContact O-CA 3.31Å; Y254-Y283 WeakPolarHBondContact O-CA 3.23Å; Y254-I284 HydrophobicContact CD1-CD1 4.2Å; Y254-I284 PolarHBondContact N-O 2.98Å; Y254-I284 PolarHBondContact O-N 3.22Å
255S93.3Very high91.1Very high7 Ų763.7 Ų63.75%0.04932%0.32CS..EExtended strand (participates in β ladder)trans-102.6111.2169.3-178.60000109.3V257 R258 S259 S260S255-V257 PolarHBondContact O-N 3.43Å; S255-R258 PolarHBondContact O-N 2.96Å; S255-R258 PolarHBondContact OG-N 2.89Å; S255-S259 VanDerWaalsContact O-CA 3.3Å; S255-S259 WeakPolarHBondContact O-CA 3.09Å; S255-S259 PolarHBondContact O-N 3.42Å; S255-S260 PolarHBondContact N-O 3.49Å; S255-S260 PolarHBondContact O-N 3.29Å
256P90.5Very high92.4Very high26 Ų2664.7 Ų64.717%0.16932%0.323CS..THydrogen-bonded Turntrans-58.1-38.9175.3-24.734.9000112.3Y254 R258 S259 R282 L608Y254-P256 HydrophobicContact CD1-CG 4.06Å; Y254-P256 HydrophobicContact CE1-CB 4.16Å; Y254-P256 HydrophobicContact CE1-CG 4.02Å; P256-R258 PolarHBondContact O-N 3.34Å; P256-S259 PolarHBondContact O-N 2.98Å; P256-S259 PolarHBondContact O-OG 3.09Å; P256-R282 VanDerWaalsContact CD-O 3.26Å; P256-R282 WeakPolarHBondContact CD-O 3.36Å; P256-L608 HydrophobicContact CB-CD1 4.32Å; P256-L608 HydrophobicContact CG-CD1 3.7Å
257V89.4Confident93.4Very high120 Ų12061 Ų6173%0.72730%0.3SS*.THydrogen-bonded Turntrans-63.4-39.2-179.7-179.30000112.4S255S255-V257 PolarHBondContact O-N 3.43Å
258R91.2Very high93.8Very high187 Ų18763.7 Ų63.771%0.70632%0.32SS*.THydrogen-bonded Turntrans-95.7-6.3179.8-60.8-178.3-178.4-171.60.3113.1S255 P256 S260S255-R258 PolarHBondContact O-N 2.96Å; S255-R258 PolarHBondContact OG-N 2.89Å; P256-R258 PolarHBondContact O-N 3.34Å; R258-S260 WeakPolarHBondContact CB-OG 3.49Å; R258-S260 PolarHBondContact O-N 2.96Å
259S92.2Very high93.9Very high85 Ų8563.9 Ų63.959%0.59432%0.32SS*.THydrogen-bonded Turntrans45.142.3-169.3-52.70000112.7S255 P256S255-S259 VanDerWaalsContact O-CA 3.3Å; S255-S259 WeakPolarHBondContact O-CA 3.09Å; S255-S259 PolarHBondContact O-N 3.42Å; P256-S259 PolarHBondContact O-N 2.98Å; P256-S259 PolarHBondContact O-OG 3.09Å
260S93.9Very high93.8Very high47 Ų4762.2 Ų62.233%0.32932%0.316SS..EExtended strand (participates in β ladder)trans-133.5140.3-170.770.20000112S255 R258S255-S260 PolarHBondContact N-O 3.49Å; S255-S260 PolarHBondContact O-N 3.29Å; R258-S260 WeakPolarHBondContact CB-OG 3.49Å; R258-S260 PolarHBondContact O-N 2.96Å
261W95.9Very high93.6Very high136 Ų13665.9 Ų65.952%0.51533%0.328SS..EExtended strand (participates in β ladder)trans-89.9147.5170.5-69.595000111.6A253 Y254 V286A253-W261 CarbonylContact O-C 3.55Å; Y254-W261 AromaticContact CD2-CD1 3.82Å; Y254-W261 AromaticContact CD2-CD2 3.84Å; Y254-W261 HydrophobicContact CD2-CD2 3.84Å; Y254-W261 AromaticContact CD2-CE2 3.57Å; Y254-W261 HydrophobicContact CD2-CG 4.02Å; Y254-W261 HydrophobicContact CD2-CZ2 4.08Å; Y254-W261 AromaticContact CD2-NE1 3.52Å; Y254-W261 HydrophobicContact CG-CD2 4.26Å; Y254-W261 HydrophobicContact CG-CH2 4.42Å; Y254-W261 HydrophobicContact CG-CZ2 4.09Å; W261-V286 HydrophobicContact CH2-CG2 3.84Å; W261-V286 HydrophobicContact CZ3-CB 4.46Å; W261-V286 HydrophobicContact CZ3-CG2 3.95Å
262S94.8Very high93Very high37 Ų3767.5 Ų67.526%0.25934%0.341SS..EExtended strand (participates in β ladder)trans-137.2129.8172.852.80000109.2Y252 A253 R264Y252-S262 WeakPolarHBondContact CA-O 3.38Å; A253-S262 PolarHBondContact N-O 3.15Å; A253-S262 PolarHBondContact O-N 3.05Å; A253-S262 PolarHBondContact O-OG 3.2Å; S262-R264 PolarHBondContact OG-NE 2.63Å; S262-R264 PolarHBondContact OG-NH2 3.09Å
263Q95.2Very high92.4Very high112 Ų11268.1 Ų68.152%0.52334%0.343SS..EExtended strand (participates in β ladder)trans-74143.6172.6-171.4172.5-7.900109.8Y252Y252-Q263 HydrophobicContact CD1-CB 4.08Å; Y252-Q263 HydrophobicContact CD1-CG 4.38Å; Y252-Q263 HydrophobicContact CE1-CB 3.88Å; Y252-Q263 HydrophobicContact CE1-CG 4Å
264R96.4Very high92Very high69 Ų6971.2 Ų71.226%0.2636%0.357SS..EExtended strand (participates in β ladder)trans-119.1175.1179.2-60.2-62.3165.6171.5-2.7110.2V251 A253 S262 C266 F285 Y354V251-R264 HydrophobicContact CB-CB 3.98Å; V251-R264 HydrophobicContact CG1-CB 3.87Å; V251-R264 HydrophobicContact CG1-CG 4.38Å; V251-R264 PolarHBondContact O-N 2.63Å; A253-R264 HydrophobicContact CB-CG 4.03Å; S262-R264 PolarHBondContact OG-NE 2.63Å; S262-R264 PolarHBondContact OG-NH2 3.09Å; R264-C266 PolarHBondContact O-N 3.19Å; R264-F285 HydrophobicContact CG-CE1 4.16Å; R264-Y354 WeakPolarHBondContact CB-OH 3.29Å
265K96.6Very high91.7Very high102 Ų10274.6 Ų74.644%0.44337%0.373SS..PPolyproline II helixtrans-57123.4176.2-169.8172.4-176.3169.70110.5V251 Y354 D359 W361V251-K265 WeakPolarHBondContact CG2-O 3.38Å; K265-Y354 HydrophobicContact CB-CE2 4.46Å; K265-D359 WeakPolarHBondContact CB-O 3.3Å; K265-D359 VanDerWaalsContact CB-OD1 3.29Å; K265-D359 WeakPolarHBondContact CB-OD1 3.46Å; K265-D359 WeakPolarHBondContact CD-O 3.5Å; K265-D359 PolarHBondContact N-OD1 2.94Å; K265-D359 PolarHBondContact N-OD2 2.82Å; K265-W361 PolarHBondContact O-NE1 2.84Å
266C96.4Very high91.6Very high39 Ų3975 Ų7526%0.26438%0.377SS..PPolyproline II helixtrans-58.6149.8175.8-64.40000111.3D249 R264 W361D249-C266 HydrophobicContact CB-CB 4.21Å; D249-C266 CarbonylContact O-C 3.58Å; D249-C266 WeakPolarHBondContact O-CA 3.26Å; D249-C266 WeakPolarHBondContact OD2-CB 3.31Å; R264-C266 PolarHBondContact O-N 3.19Å; C266-W361 PolarHBondContact O-NE1 3.26Å; C266-W361 VanDerWaalsContact O-NE1 3.16Å
267M95.5Very high91.7Very high8 Ų876.4 Ų76.44%0.03938%0.384CS..PPolyproline II helixtrans-58.1147.8170-70.9-179.9-63.600110D249 V251 Q269 R271 F287 I352 W361D249-M267 HydrophobicContact CB-CB 4.41Å; D249-M267 PolarHBondContact O-N 2.9Å; V251-M267 HydrophobicContact CG2-CG 4.06Å; M267-Q269 WeakPolarHBondContact CB-O 3.43Å; M267-Q269 PolarHBondContact O-N 3Å; M267-R271 HydrophobicContact CE-CB 4.04Å; M267-R271 HydrophobicContact CE-CG 4.1Å; M267-R271 HydrophobicContact SD-CG 4.16Å; M267-F287 HydrophobicContact CE-CB 4.5Å; M267-F287 HydrophobicContact SD-CB 4.35Å; M267-I352 HydrophobicContact CG-CD1 4.4Å; M267-W361 HydrophobicContact CB-CZ2 4.33Å; M267-W361 HydrophobicContact CG-CD2 4.47Å; M267-W361 HydrophobicContact CG-CH2 3.53Å; M267-W361 HydrophobicContact CG-CZ2 3.26Å; M267-W361 HydrophobicContact CG-CZ3 4.27Å; M267-W361 HydrophobicContact SD-CH2 4.1Å; M267-W361 HydrophobicContact SD-CZ2 4.33Å
268P93.7Very high91.8Very high96 Ų9672.4 Ų72.462%0.62336%0.362SS*.SBendtrans-64.3-19.4174.127.3-35000113I352P268-I352 HydrophobicContact CG-CD1 4.15Å; P268-I352 HydrophobicContact CG-CG2 4.32Å
269Q90.2Very high91.7Very high53 Ų5366.2 Ų66.225%0.24835%0.345CS..SBendtrans-139.2133.7180174.7-104.513.300108.8M267 R271 E348M267-Q269 WeakPolarHBondContact CB-O 3.43Å; M267-Q269 PolarHBondContact O-N 3Å; Q269-R271 VanDerWaalsContact OE1-CG 3.28Å; Q269-E348 PolarHBondContact NE2-OE2 2.94Å
270A90.6Very high91.3Very high32 Ų3264.9 Ų64.926%0.26435%0.345SS..  trans-68.3143.7177.200000111L247 M248 D249L247-A270 HydrophobicContact CB-CB 3.73Å; M248-A270 WeakPolarHBondContact O-CA 3.46Å; D249-A270 HydrophobicContact CB-CB 4.06Å
271R89.8Confident90.8Very high87 Ų8765.2 Ų65.233%0.32835%0.347SS..BIsolated β-bridgetrans-124.9129.1-179.5-65.3-169.4173.9-141.6-3.8110.6M248 M267 Q269 R273 G289 S350M248-R271 PolarHBondContact O-N 2.79Å; M267-R271 HydrophobicContact CE-CB 4.04Å; M267-R271 HydrophobicContact CE-CG 4.1Å; M267-R271 HydrophobicContact SD-CG 4.16Å; Q269-R271 VanDerWaalsContact OE1-CG 3.28Å; R271-R273 PolarHBondContact O-N 2.9Å; R271-G289 PolarHBondContact O-N 2.81Å; R271-S350 PolarHBondContact NH2-O 2.82Å
272A82.3Confident90.4Very high33 Ų3367.5 Ų67.527%0.27336%0.355SS..SBendtrans-66.3-36.2-173.400000114.3L247 G289 V290 L345L247-A272 VanDerWaalsContact CD2-CA 3.46Å; L247-A272 HydrophobicContact CD2-CB 3.42Å; L247-A272 VanDerWaalsContact CD2-CB 3.42Å; A272-G289 CarbonylContact O-C 3.28Å; A272-G289 VanDerWaalsContact O-C 3.26Å; A272-G289 WeakPolarHBondContact O-CA 3.45Å; A272-V290 WeakPolarHBondContact O-CG2 2.91Å; A272-L345 HydrophobicContact CB-CD2 3.46Å; A272-L345 VanDerWaalsContact CB-CD2 3.46Å
273R83Confident90.3Very high97 Ų9769 Ų6937%0.36636%0.356SS..SBendtrans-93.6138.4176.2-70.2-164.9170.5-169.9-4.5109.7R271 E373R271-R273 PolarHBondContact O-N 2.9Å; R273-E373 IonicContact CZ-OE1 3.44Å; R273-E373 IonicContact NH2-OE1 3.75Å; R273-E373 PolarHBondContact NH2-OE1 3.36Å; R273-E373 IonicContact NH2-OE2 2.81Å
274H86.2Confident90.2Very high65 Ų6565.1 Ų65.130%0.30134%0.338SS..  trans-76.4150.5167.958.9-78.3000110.4F287 I602H274-F287 CarbonylContact C-O 3.53Å; H274-F287 WeakPolarHBondContact CA-O 3.39Å; H274-I602 PolarHBondContact CE1-O 3.42Å; H274-I602 PolarHBondContact NE2-O 2.81Å
275F89.4Confident90.2Very high128 Ų12862 Ų6256%0.56133%0.327SS*.EExtended strand (participates in β ladder)trans-129.5148.6170.2-175.5-100.4000108.7V277 V286 F287F275-V277 HydrophobicContact CE1-CB 3.91Å; F275-V277 HydrophobicContact CE1-CG1 4.17Å; F275-V286 WeakPolarHBondContact O-CA 3.25Å; F275-F287 HydrophobicContact CD1-CD2 4.26Å; F275-F287 PolarHBondContact N-O 2.9Å; F275-F287 PolarHBondContact O-N 3.34Å
276S91Very high90.1Very high17 Ų1759 Ų5912%0.11932%0.317CS..EExtended strand (participates in β ladder)trans-130.8140.4175.165.10000111.3F285 G604 V606S276-F285 CarbonylContact C-O 3.57Å; S276-F285 WeakPolarHBondContact CA-O 3.49Å; S276-G604 WeakPolarHBondContact OG-CA 3.21Å; S276-V606 WeakPolarHBondContact O-CG1 3.28Å; S276-V606 WeakPolarHBondContact OG-CG1 3.43Å
277V91.6Very high89.9Confident54 Ų5458.4 Ų58.433%0.32731%0.31SS..EExtended strand (participates in β ladder)trans-142.3139173.655.80000110.9F275 F285 F287F275-V277 HydrophobicContact CE1-CB 3.91Å; F275-V277 HydrophobicContact CE1-CG1 4.17Å; V277-F285 HydrophobicContact CG1-CB 4.29Å; V277-F285 PolarHBondContact N-O 3.11Å; V277-F285 PolarHBondContact O-N 2.88Å; V277-F287 HydrophobicContact CG1-CE2 3.73Å; V277-F287 HydrophobicContact CG1-CZ 4.41Å
278S91.5Very high89.7Confident37 Ų3758.4 Ų58.426%0.25931%0.311SS..EExtended strand (participates in β ladder)trans-84.1137.8169.952.70000110.4Y283 C607S278-Y283 WeakPolarHBondContact CA-O 3.45Å; S278-C607 PolarHBondContact OG-O 3.48Å
279V89.8Confident89.4Confident56 Ų5654 Ų5434%0.33928%0.284SS..EExtended strand (participates in β ladder)trans-119.3101.8174.7-178.40000108.5Y283 F285 I356V279-Y283 PolarHBondContact N-O 2.76Å; V279-F285 HydrophobicContact CB-CD2 4.33Å; V279-F285 HydrophobicContact CB-CE2 4.12Å; V279-F285 HydrophobicContact CG2-CD2 3.68Å; V279-F285 HydrophobicContact CG2-CE2 3.8Å; V279-I356 HydrophobicContact CB-CD1 4.32Å; V279-I356 HydrophobicContact CG1-CD1 3.87Å; V279-I356 HydrophobicContact CG2-CD1 3.73Å
280G84.6Confident88.9Confident58 Ų5854.8 Ų54.860%0.59829%0.292SS*.THydrogen-bonded Turntrans54.3-149.6-166.500000111.3R282G280-R282 VanDerWaalsContact C-N 3.35Å
281S82.5Confident88.1Confident53 Ų5355.5 Ų55.537%0.37129%0.293SS..THydrogen-bonded Turntrans-94.811.5177.5-33.20000113N609S281-N609 VanDerWaalsContact CB-O 3.24Å; S281-N609 WeakPolarHBondContact CB-O 3.49Å; S281-N609 PolarHBondContact OG-O 2.9Å
282R87.2Confident86.8Confident185 Ų18559.3 Ų59.370%0.69832%0.317SS*.THydrogen-bonded Turntrans-108.3-33.3-167-61.5-171-156.6162.36.4114.8P256 G280P256-R282 VanDerWaalsContact CD-O 3.26Å; P256-R282 WeakPolarHBondContact CD-O 3.36Å; G280-R282 VanDerWaalsContact C-N 3.35Å
283Y92.6Very high85.4Confident68 Ų6860 Ų6027%0.26732%0.32SS..EExtended strand (participates in β ladder)trans-139.9141.8-172.9-65.4-70.7000112Y254 S278 V279 F285Y254-Y283 CarbonylContact O-C 3.49Å; Y254-Y283 VanDerWaalsContact O-CA 3.31Å; Y254-Y283 WeakPolarHBondContact O-CA 3.23Å; S278-Y283 WeakPolarHBondContact CA-O 3.45Å; V279-Y283 PolarHBondContact N-O 2.76Å; Y283-F285 HydrophobicContact CG-CE2 4.34Å
284I94.3Very high83.8Confident30 Ų3061.2 Ų61.215%0.15434%0.338CS..EExtended strand (participates in β ladder)trans-111.2123.7163.1-58.1174.5000106.6A253 Y254 V286 V606 L608A253-I284 CarbonylContact C-O 3.56Å; A253-I284 WeakPolarHBondContact CA-O 3.31Å; Y254-I284 HydrophobicContact CD1-CD1 4.2Å; Y254-I284 PolarHBondContact N-O 2.98Å; Y254-I284 PolarHBondContact O-N 3.22Å; I284-V286 HydrophobicContact CG2-CG2 4.48Å; I284-V606 HydrophobicContact CD1-CG2 4.05Å; I284-V606 HydrophobicContact CG1-CG2 4.23Å; I284-V606 HydrophobicContact CG2-CG2 4.05Å; I284-L608 HydrophobicContact CD1-CD1 4.1Å; I284-L608 HydrophobicContact CD1-CD2 4.37Å; I284-L608 HydrophobicContact CD1-CG 4.41Å; I284-L608 HydrophobicContact CG1-CD1 4.49Å; I284-L608 HydrophobicContact CG1-CD2 3.95Å
285F94.9Very high81.6Confident4 Ų460.9 Ų60.92%0.01834%0.338CS..EExtended strand (participates in β ladder)trans-98.5141.3172.7-71.5-99.1000110.1V251 Y252 A253 R264 S276 V277 V279 Y283 F287 Y354 I356V251-F285 HydrophobicContact CG1-CD1 4.37Å; Y252-F285 CarbonylContact O-C 3.5Å; Y252-F285 WeakPolarHBondContact O-CA 3.44Å; A253-F285 HydrophobicContact CB-CD1 3.87Å; A253-F285 HydrophobicContact CB-CE1 3.64Å; A253-F285 HydrophobicContact CB-CG 4.42Å; A253-F285 HydrophobicContact CB-CZ 4.02Å; R264-F285 HydrophobicContact CG-CE1 4.16Å; S276-F285 CarbonylContact C-O 3.57Å; S276-F285 WeakPolarHBondContact CA-O 3.49Å; V277-F285 HydrophobicContact CG1-CB 4.29Å; V277-F285 PolarHBondContact N-O 3.11Å; V277-F285 PolarHBondContact O-N 2.88Å; V279-F285 HydrophobicContact CB-CD2 4.33Å; V279-F285 HydrophobicContact CB-CE2 4.12Å; V279-F285 HydrophobicContact CG2-CD2 3.68Å; V279-F285 HydrophobicContact CG2-CE2 3.8Å; Y283-F285 HydrophobicContact CG-CE2 4.34Å; F285-F287 HydrophobicContact CB-CD2 4.32Å; F285-F287 HydrophobicContact CB-CE2 3.35Å; F285-F287 HydrophobicContact CB-CZ 3.61Å; F285-F287 HydrophobicContact CD1-CZ 4.3Å; F285-F287 HydrophobicContact CG-CE2 4.41Å; F285-F287 HydrophobicContact CG-CZ 4.22Å; F285-Y354 HydrophobicContact CD1-CE1 4.11Å; F285-Y354 AromaticContact CE1-CE1 3.71Å; F285-Y354 HydrophobicContact CE1-CE1 3.71Å; F285-I356 HydrophobicContact CE2-CD1 4.07Å; F285-I356 HydrophobicContact CE2-CG1 4.45Å; F285-I356 HydrophobicContact CE2-CG2 4.46Å; F285-I356 HydrophobicContact CZ-CD1 4.22Å; F285-I356 HydrophobicContact CZ-CG1 4.12Å; F285-I356 HydrophobicContact CZ-CG2 3.83Å
286V94Very high79.2Confident38 Ų3859.5 Ų59.523%0.2335%0.345CS..EExtended strand (participates in β ladder)trans-127.1130.4174.7-177.10000108V251 Y252 W261 F275 I284V251-V286 WeakPolarHBondContact CA-O 2.99Å; Y252-V286 PolarHBondContact N-O 3.22Å; Y252-V286 PolarHBondContact O-N 3.14Å; W261-V286 HydrophobicContact CH2-CG2 3.84Å; W261-V286 HydrophobicContact CZ3-CB 4.46Å; W261-V286 HydrophobicContact CZ3-CG2 3.95Å; F275-V286 WeakPolarHBondContact O-CA 3.25Å; I284-V286 HydrophobicContact CG2-CG2 4.48Å
287F93.4Very high76.6Confident28 Ų2865.5 Ų65.512%0.12338%0.375CS..EExtended strand (participates in β ladder)trans-122.7131.9-173-58.5-97.1000109.7V251 M267 H274 F275 V277 F285 Y354 W361V251-F287 HydrophobicContact CB-CD1 4.45Å; V251-F287 HydrophobicContact CG1-CD1 3.78Å; V251-F287 HydrophobicContact CG1-CE1 3.67Å; V251-F287 HydrophobicContact CG1-CZ 4.33Å; V251-F287 HydrophobicContact CG2-CD1 3.89Å; V251-F287 HydrophobicContact CG2-CE1 4.37Å; M267-F287 HydrophobicContact CE-CB 4.5Å; M267-F287 HydrophobicContact SD-CB 4.35Å; H274-F287 CarbonylContact C-O 3.53Å; H274-F287 WeakPolarHBondContact CA-O 3.39Å; F275-F287 HydrophobicContact CD1-CD2 4.26Å; F275-F287 PolarHBondContact N-O 2.9Å; F275-F287 PolarHBondContact O-N 3.34Å; V277-F287 HydrophobicContact CG1-CE2 3.73Å; V277-F287 HydrophobicContact CG1-CZ 4.41Å; F285-F287 HydrophobicContact CB-CD2 4.32Å; F285-F287 HydrophobicContact CB-CE2 3.35Å; F285-F287 HydrophobicContact CB-CZ 3.61Å; F285-F287 HydrophobicContact CD1-CZ 4.3Å; F285-F287 HydrophobicContact CG-CE2 4.41Å; F285-F287 HydrophobicContact CG-CZ 4.22Å; F287-Y354 HydrophobicContact CE1-CD1 4.2Å; F287-Y354 HydrophobicContact CE1-CG 4.43Å; F287-Y354 HydrophobicContact CZ-CD1 4.41Å; F287-W361 AromaticContact CD1-CH2 3.82Å; F287-W361 HydrophobicContact CD1-CH2 3.82Å; F287-W361 AromaticContact CD1-CZ2 3.93Å; F287-W361 HydrophobicContact CD1-CZ2 3.93Å; F287-W361 AromaticContact CE1-CH2 3.83Å; F287-W361 HydrophobicContact CE1-CH2 3.83Å; F287-W361 AromaticContact CE1-CZ2 3.92Å; F287-W361 HydrophobicContact CE1-CZ2 3.92Å
288G91.4Very high74Confident7 Ų765.8 Ų65.87%0.07237%0.373CS..  trans61.7-152.5168.600000114.9M248 S250M248-G288 VanDerWaalsContact O-CA 3.26Å; M248-G288 WeakPolarHBondContact O-CA 3.26Å; S250-G288 PolarHBondContact O-N 3.16Å
289G87.2Confident71Confident4 Ų475.6 Ų75.64%0.04140%0.404CS..  trans113.5-168.5-173.100000112.7M248 R271 A272M248-G289 WeakPolarHBondContact CB-O 3.1Å; M248-G289 PolarHBondContact N-O 2.98Å; R271-G289 PolarHBondContact O-N 2.81Å; A272-G289 CarbonylContact O-C 3.28Å; A272-G289 VanDerWaalsContact O-C 3.26Å; A272-G289 WeakPolarHBondContact O-CA 3.45Å
290V80.4Confident68.2Low69 Ų6979.1 Ų79.142%0.41841%0.412SS..BIsolated β-bridgetrans-122.3137.2173.7173.50000108.3T246 L247 A272T246-V290 WeakPolarHBondContact O-CA 3.42Å; L247-V290 HydrophobicContact CD2-CG2 3.94Å; A272-V290 WeakPolarHBondContact O-CG2 2.91Å
291T72.2Confident65.4Low47 Ų4784.5 Ų84.529%0.28842%0.421SS..  trans-70132.917157.30000109.9G245 T246 M248 S293G245-T291 WeakPolarHBondContact CA-O 2.78Å; T246-T291 WeakPolarHBondContact CB-OG1 3.47Å; T246-T291 PolarHBondContact N-OG1 3.39Å; T246-T291 PolarHBondContact O-N 3.24Å; M248-T291 HydrophobicContact CE-CG2 4.48Å; M248-T291 HydrophobicContact CG-CG2 3.76Å; M248-T291 HydrophobicContact SD-CG2 3.66Å; T291-S293 PolarHBondContact O-N 3.26Å
292M62.4Low63.4Low168 Ų16886.2 Ų86.283%0.82843%0.434SS*.  trans-82.9104.3159.9-62.9-62.4-76.600106.3T294M292-T294 PolarHBondContact O-N 3.45Å
293S54.8Low60.7Low48 Ų4881.5 Ų81.534%0.33643%0.429SS..  trans-61.8102.1168.946.10000108.6I243 T291 N295I243-S293 WeakPolarHBondContact CB-OG 3.41Å; I243-S293 WeakPolarHBondContact CG2-OG 3.36Å; I243-S293 PolarHBondContact O-OG 2.84Å; T291-S293 PolarHBondContact O-N 3.26Å; S293-N295 PolarHBondContact O-N 2.96Å
294T47.7Very low57.8Low122 Ų12283.1 Ų83.175%0.74844%0.442SS*.  trans-75.5118.4167.452.80000106.6M292 S296M292-T294 PolarHBondContact O-N 3.45Å; T294-S296 PolarHBondContact O-N 3.4Å
295N41Very low54.6Low58 Ų5890.6 Ų90.631%0.3147%0.469SS..  trans-57.1108.9172.6-144.4-14.9000106.6P240 I243 S293 N297 H298P240-N295 PolarHBondContact O-ND2 3.16Å; I243-N295 HydrophobicContact CD1-CB 4.08Å; S293-N295 PolarHBondContact O-N 2.96Å; N295-N297 PolarHBondContact O-N 2.96Å; N295-H298 PolarHBondContact O-N 3.33Å
296S39.6Very low51.5Low99 Ų9993.4 Ų93.469%0.69249%0.486SS*.THydrogen-bonded Turntrans-64.80.7-170.936.80000114.2T294T294-S296 PolarHBondContact O-N 3.4Å
297N35.9Very low48.7Very low143 Ų14397.1 Ų97.177%0.76550%0.503SS*.THydrogen-bonded Turntrans-95.7-14173.1-72-19.1000114.7N295 R299N295-N297 PolarHBondContact O-N 2.96Å; N297-R299 PolarHBondContact O-N 3.11Å; N297-R299 VanDerWaalsContact O-N 3.14Å
298H37.2Very low45.6Very low60 Ų60102.7 Ų102.728%0.27853%0.531SS..  trans-84.993.4172.6-75.7-62.5000110.2N295 Y300N295-H298 PolarHBondContact O-N 3.33Å; H298-Y300 HydrophobicContact CB-CD2 3.87Å; H298-Y300 HydrophobicContact CB-CE2 3.85Å; H298-Y300 PolarHBondContact O-N 3.46Å
299R27.1Very low42.5Very low243 Ų243105.7 Ų105.792%0.91755%0.546SS*.  trans-61.278.9158.5-75.6179.9177.4172.50.7108.7N297 H301N297-R299 PolarHBondContact O-N 3.11Å; N297-R299 VanDerWaalsContact O-N 3.14Å; R299-H301 PolarHBondContact O-N 2.93Å
300Y31Very low39.7Very low130 Ų130111.2 Ų111.251%0.5157%0.57SS.*  trans-59.4125.9166-89.7-85.7000108.9V213 H298 S302V213-Y300 HydrophobicContact CG1-CE1 4.3Å; V213-Y300 VanDerWaalsContact CG1-OH 3.29Å; V213-Y300 WeakPolarHBondContact CG1-OH 3.46Å; H298-Y300 HydrophobicContact CB-CD2 3.87Å; H298-Y300 HydrophobicContact CB-CE2 3.85Å; H298-Y300 PolarHBondContact O-N 3.46Å; Y300-S302 PolarHBondContact O-N 3.3Å; Y300-S302 VanDerWaalsContact O-N 3.14Å
301H27.1Very low37.3Very low170 Ų170113.7 Ų113.779%0.78758%0.581SS**  trans-47.2114.2175.3-86.3-89.1000111R299 S303R299-H301 PolarHBondContact O-N 2.93Å; H301-S303 PolarHBondContact O-N 3.21Å
302S40.2Very low35.5Very low90 Ų90117.9 Ų117.963%0.62960%0.597SS**SBendtrans36.1-2.214755.90000123.3Y300 V306Y300-S302 PolarHBondContact O-N 3.3Å; Y300-S302 VanDerWaalsContact O-N 3.14Å; S302-V306 WeakPolarHBondContact O-CG2 3.47Å
303S31Very low33.8Very low85 Ų85117.3 Ų117.359%0.59459%0.592SS**SBendtrans-103.7-32.8179.1-58.90000112.4H301 V306H301-S303 PolarHBondContact O-N 3.21Å; S303-V306 WeakPolarHBondContact O-CB 3.42Å; S303-V306 PolarHBondContact O-N 3.29Å
304D31.4Very low32.5Very low103 Ų103120.4 Ų120.455%0.55161%0.609SS**Hα-helixtrans-82.7-21.7176.4-79.2-31.1000113.9V306 I307 M308D304-V306 PolarHBondContact O-N 3.36Å; D304-I307 PolarHBondContact O-N 3.24Å; D304-M308 PolarHBondContact O-N 3.4Å
305R27.7Very low31.6Very low187 Ų187121.8 Ų121.871%0.70661%0.612SS**Hα-helixtrans-62.4-22.6164.4-88.4-170.9172.7-169.8-2.3112I307 N309R305-I307 VanDerWaalsContact C-N 3.34Å; R305-N309 WeakPolarHBondContact O-CA 3.22Å; R305-N309 WeakPolarHBondContact O-CB 3.38Å; R305-N309 PolarHBondContact O-N 3.08Å
306V29.8Very low31Very low62 Ų62124.2 Ų124.238%0.37663%0.634SS.*Hα-helixtrans-68.1-36.4176-176.70000110.3S302 S303 D304 H310S302-V306 WeakPolarHBondContact O-CG2 3.47Å; S303-V306 WeakPolarHBondContact O-CB 3.42Å; S303-V306 PolarHBondContact O-N 3.29Å; D304-V306 PolarHBondContact O-N 3.36Å; V306-H310 WeakPolarHBondContact CG1-CD2 3.34Å; V306-H310 VanDerWaalsContact CG1-NE2 3.35Å; V306-H310 WeakPolarHBondContact CG1-NE2 3.33Å; V306-H310 WeakPolarHBondContact O-CB 3.38Å; V306-H310 PolarHBondContact O-N 2.88Å
307I33.4Very low30.4Very low117 Ų117124.4 Ų124.460%0.664%0.635SS**Hα-helixtrans-73.5-40.4-179.8-56.2178.8000111.4D304 R305 L311D304-I307 PolarHBondContact O-N 3.24Å; R305-I307 VanDerWaalsContact C-N 3.34Å; I307-L311 WeakPolarHBondContact O-CD1 3.36Å
308M29.3Very low30Very low145 Ų145122.9 Ų122.971%0.71464%0.636SS**Hα-helixtrans-77.9-37.1177.6-79.9-86.6-157.800113.3D304D304-M308 PolarHBondContact O-N 3.4Å
309N26.6Very low29.5Very low69 Ų69127.3 Ų127.337%0.36966%0.661SS.*Hα-helixtrans-86.7-27.9-178.8-67.5-13.5000113.6R305 L311 Q312 E313R305-N309 WeakPolarHBondContact O-CA 3.22Å; R305-N309 WeakPolarHBondContact O-CB 3.38Å; R305-N309 PolarHBondContact O-N 3.08Å; N309-L311 PolarHBondContact O-N 3.14Å; N309-Q312 PolarHBondContact O-N 3.12Å; N309-E313 PolarHBondContact O-N 2.71Å; N309-E313 VanDerWaalsContact O-N 3.16Å
310H27.2Very low29.4Very low120 Ų120126.7 Ų126.756%0.55666%0.659SS**Hα-helixtrans-66.9-17.3171.9-81.2-28.7000113.2V306 Q312V306-H310 WeakPolarHBondContact CG1-CD2 3.34Å; V306-H310 VanDerWaalsContact CG1-NE2 3.35Å; V306-H310 WeakPolarHBondContact CG1-NE2 3.33Å; V306-H310 WeakPolarHBondContact O-CB 3.38Å; V306-H310 PolarHBondContact O-N 2.88Å; H310-Q312 PolarHBondContact O-N 2.81Å
311L31.6Very low29.2Very low122 Ų122131.9 Ų131.964%0.63968%0.678SS**Hα-helixtrans-74.8-12.8168.9-72.8165.3000113.2I307 N309I307-L311 WeakPolarHBondContact O-CD1 3.36Å; N309-L311 PolarHBondContact O-N 3.14Å
312Q32.8Very low29.1Very low135 Ų135131 Ų13163%0.63168%0.679SS**Hα-helixtrans-107.3-25179-71.7-173.3-400114.3N309 H310N309-Q312 PolarHBondContact O-N 3.12Å; H310-Q312 PolarHBondContact O-N 2.81Å
313E27.5Very low28.4Very low155 Ų155136 Ų13672%0.72469%0.692SS**Hα-helixtrans-100.32.4-170-74.1-171.1168.400116.7N309 N315N309-E313 PolarHBondContact O-N 2.71Å; N309-E313 VanDerWaalsContact O-N 3.16Å; E313-N315 PolarHBondContact O-N 3.49Å
314T28.3Very low28.1Very low114 Ų114137.7 Ų137.770%0.69970%0.698SS**  trans-81.458.8166.164.20000111.2
315N27.5Very low27.8Very low151 Ų151137.3 Ų137.381%0.80770%0.703SS**  trans-117.972164.6-95.1-35.4000109.1E313 S317E313-N315 PolarHBondContact O-N 3.49Å; N315-S317 PolarHBondContact O-N 3.27Å
316S28.2Very low27.8Very low109 Ų109133.4 Ų133.476%0.76271%0.705SS**  trans-73.5104.9163.1-51.80000108.7
317S26.7Very low27.5Very low103 Ų103140.4 Ų140.472%0.7273%0.725SS**  trans6096.8149.343.40000118N315N315-S317 PolarHBondContact O-N 3.27Å
318S28.6Very low27.3Very low111 Ų111142.4 Ų142.478%0.77674%0.735SS**  169.7123.4107.348.70000113
319N26.8Very low27Very low153 Ų153139.8 Ų139.882%0.81873%0.732SS**  trans62.1124.8143.1-76.8-28.5000122
320R25.3Very low27.1Very low230 Ų230140.8 Ų140.887%0.86875%0.749SS**  trans88.990.2152.6-66.4178.1179.6-167.80.2116.9N322R320-N322 PolarHBondContact O-N 2.82Å
321R25.5Very low27.4Very low239 Ų239143.5 Ų143.590%0.90276%0.76SS**  20.288.7126.7-70.6-179.1179161.8-0.2113.8
322N26.2Very low27.2Very low152 Ų152142.2 Ų142.281%0.81375%0.754SS**  trans-15297.3140.1-90-24000106.1R320 V324R320-N322 PolarHBondContact O-N 2.82Å; N322-V324 PolarHBondContact O-N 3.45Å
323H24.5Very low27.4Very low194 Ų194139.7 Ų139.790%0.89875%0.749SS**  trans-64.779.1167-82.6-80.5000108.4
324V24.9Very low27.5Very low120 Ų120138.7 Ų138.773%0.72775%0.748SS**  trans-97.191.2151.2-173.10000103.8N322 S326N322-V324 PolarHBondContact O-N 3.45Å; V324-S326 PolarHBondContact O-N 2.81Å
325S25.9Very low27.5Very low95 Ų95139.2 Ų139.266%0.66475%0.746SS**  trans-49.8101.6156.1-78.20000105.8R327S325-R327 PolarHBondContact O-N 2.65Å
326S28.1Very low27.4Very low105 Ų105136.8 Ų136.873%0.73474%0.739SS**  trans-64.189.116452.80000104.9V324 L328V324-S326 PolarHBondContact O-N 2.81Å; S326-L328 VanDerWaalsContact C-N 3.32Å; S326-L328 PolarHBondContact O-N 2.95Å
327R22.7Very low27.8Very low210 Ų210137.2 Ų137.279%0.79274%0.737SS**  trans-55.999.4174.2-67.3177.6177.5168.6-1.6106.8S325 S329S325-R327 PolarHBondContact O-N 2.65Å; R327-S329 WeakPolarHBondContact CB-OG 3.22Å; R327-S329 PolarHBondContact O-N 3.18Å
328L29Very low28.2Very low158 Ų158138 Ų13883%0.82774%0.737SS**  trans-65.959.5142.7-83.6151000106.9S326 A330S326-L328 VanDerWaalsContact C-N 3.32Å; S326-L328 PolarHBondContact O-N 2.95Å; L328-A330 PolarHBondContact O-N 3.48Å
329S24.1Very low28.8Very low91 Ų91141.2 Ų141.264%0.63674%0.74SS**THydrogen-bonded Turntrans-92.982.2172.658.30000107.5R327R327-S329 WeakPolarHBondContact CB-OG 3.22Å; R327-S329 PolarHBondContact O-N 3.18Å
330A28.3Very low30Very low89 Ų89136.2 Ų136.274%0.73671%0.713SS**THydrogen-bonded Turntrans-1568.8151.600000113.2L328L328-A330 PolarHBondContact O-N 3.48Å
331F32.3Very low31.5Very low178 Ų178132 Ų13278%0.78171%0.707SS**  trans-106.195.1165.1-146.1-96000108.3P333F331-P333 HydrophobicContact CD1-CB 4.35Å; F331-P333 HydrophobicContact CE1-CB 4.3Å; F331-P333 VanDerWaalsContact O-CD 3.22Å; F331-P333 WeakPolarHBondContact O-CD 2.98Å
332N27.6Very low33.1Very low95 Ų95122.7 Ų122.751%0.50868%0.675SS.*  trans-96.197.7166-176.26.5000106.9N334 L335N332-N334 PolarHBondContact O-N 3.01Å; N332-N334 PolarHBondContact OD1-N 2.89Å; N332-L335 HydrophobicContact CB-CD1 4.38Å; N332-L335 PolarHBondContact O-N 2.84Å
333P37.3Very low34.9Very low81 Ų81117.5 Ų117.553%0.52665%0.65SS.*THydrogen-bonded Turntrans-66.6-0.8179.527.4-34000113.5F331F331-P333 HydrophobicContact CD1-CB 4.35Å; F331-P333 HydrophobicContact CE1-CB 4.3Å; F331-P333 VanDerWaalsContact O-CD 3.22Å; F331-P333 WeakPolarHBondContact O-CD 2.98Å
334N29Very low36.8Very low134 Ų134113.2 Ų113.272%0.71764%0.638SS**THydrogen-bonded Turntrans-104.215.4179-61.7-27.2000113.8N332 P336N332-N334 PolarHBondContact O-N 3.01Å; N332-N334 PolarHBondContact OD1-N 2.89Å; N334-P336 WeakPolarHBondContact O-CD 3.26Å
335L28.6Very low39.3Very low125 Ų125112.9 Ų112.965%0.65463%0.631SS**SBendtrans-67.3123.9165.6-100.9142.4000108.1N332 V337N332-L335 HydrophobicContact CB-CD1 4.38Å; N332-L335 PolarHBondContact O-N 2.84Å; L335-V337 PolarHBondContact O-N 3.42Å
336P26.8Very low42.1Very low100 Ų100113.8 Ų113.865%0.64963%0.628SS**  trans-55.7131.6174.5-18.129.3000108.5N334 T338N334-P336 WeakPolarHBondContact O-CD 3.26Å; P336-T338 PolarHBondContact O-N 3Å
337V35.7Very low45Very low119 Ų119111.1 Ų111.172%0.72160%0.604SS**  trans-65.282.6172.3-176.60000107.2L335 L340L335-V337 PolarHBondContact O-N 3.42Å; V337-L340 HydrophobicContact CG1-CD1 3.44Å; V337-L340 VanDerWaalsContact CG1-CD1 3.44Å; V337-L340 HydrophobicContact CG1-CG 4.02Å
338T34.7Very low48.2Very low120 Ų120104.5 Ų104.574%0.73658%0.582SS**  trans-68.7125.1164.443.50000106.7P336 L340P336-T338 PolarHBondContact O-N 3Å; T338-L340 PolarHBondContact O-N 2.83Å
339E42.3Very low51.2Low177 Ų177102 Ų10283%0.82756%0.564SS**  trans11.499.4172-75.9171157.900113.4D341E339-D341 PolarHBondContact O-N 2.83Å
340L50.6Low54.6Low48 Ų4898.8 Ų98.825%0.25154%0.542SS..  trans-61.390.6169.6-87.1134.2000108.1Q237 A244 V337 T338 I342Q237-L340 PolarHBondContact NE2-O 2.93Å; A244-L340 HydrophobicContact CB-CD2 4.22Å; V337-L340 HydrophobicContact CG1-CD1 3.44Å; V337-L340 VanDerWaalsContact CG1-CD1 3.44Å; V337-L340 HydrophobicContact CG1-CG 4.02Å; T338-L340 PolarHBondContact O-N 2.83Å; L340-I342 PolarHBondContact O-N 2.89Å
341D57.3Low57.7Low141 Ų14196.6 Ų96.675%0.75452%0.517SS*.  trans-58.4106.7159.4-85.2-21.8000105.9E339 P343E339-D341 PolarHBondContact O-N 2.83Å; D341-P343 VanDerWaalsContact O-CD 3.31Å; D341-P343 WeakPolarHBondContact O-CD 3.43Å; D341-P343 VanDerWaalsContact O-N 3.09Å
342I59.4Low60.7Low44 Ų4489.5 Ų89.523%0.22649%0.487CS..  trans-57.3119.2175.1-63.2161.3000106.2E233 L236 Q237 L340 T344E233-I342 VanDerWaalsContact CA-CD1 3.41Å; E233-I342 HydrophobicContact CB-CD1 3.76Å; E233-I342 HydrophobicContact CG-CD1 3.79Å; E233-I342 WeakPolarHBondContact O-CD1 3.33Å; L236-I342 HydrophobicContact CB-CD1 3.68Å; L236-I342 HydrophobicContact CB-CG1 3.87Å; L236-I342 HydrophobicContact CD1-CD1 3.95Å; L236-I342 HydrophobicContact CD1-CG1 4.3Å; L236-I342 HydrophobicContact CD1-CG2 3.99Å; L236-I342 HydrophobicContact CG-CD1 4.48Å; Q237-I342 HydrophobicContact CG-CD1 4.11Å; Q237-I342 HydrophobicContact CG-CG1 4.19Å; L340-I342 PolarHBondContact O-N 2.89Å; I342-T344 PolarHBondContact O-N 2.77Å
343P63.8Low63.9Low44 Ų4488 Ų8829%0.28647%0.474SS..  trans-63.5114.3-175.520.2-28.6000109.9G245 L247 D341 L345G245-P343 WeakPolarHBondContact O-CG 3.28Å; L247-P343 HydrophobicContact CD1-CB 3.69Å; L247-P343 HydrophobicContact CG-CB 3.68Å; L247-P343 HydrophobicContact CG-CG 4.2Å; D341-P343 VanDerWaalsContact O-CD 3.31Å; D341-P343 WeakPolarHBondContact O-CD 3.43Å; D341-P343 VanDerWaalsContact O-N 3.09Å; P343-L345 PolarHBondContact O-N 2.74Å
344T65.4Low66.7Low104 Ų10485.6 Ų85.664%0.63846%0.455SS*.  trans-74.1122.8173.9540000109.9I342 N346I342-T344 PolarHBondContact O-N 2.77Å; T344-N346 PolarHBondContact O-N 3.33Å
345L77Confident69.9Low112 Ų11281.2 Ų81.259%0.58643%0.431SS*.  trans-79116.7173.6-67175.2000110L247 A272 P343L247-L345 HydrophobicContact CD1-CD2 4.13Å; L247-L345 HydrophobicContact CD2-CD2 3.83Å; A272-L345 HydrophobicContact CB-CD2 3.46Å; A272-L345 VanDerWaalsContact CB-CD2 3.46Å; P343-L345 PolarHBondContact O-N 2.74Å
346N84.5Confident72.9Confident114 Ų11478.7 Ų78.761%0.6142%0.418SS*.  trans-115.1148.9175.1-64-47.5000110.2T344 E348T344-N346 PolarHBondContact O-N 3.33Å; N346-E348 PolarHBondContact O-N 3.03Å
347F88.8Confident76.1Confident49 Ų4980.3 Ų80.322%0.21543%0.43CS..  trans-68.7121.5172-76-86.4000110.3P370 L372 I456 E458F347-P370 HydrophobicContact CB-CB 4Å; F347-P370 HydrophobicContact CB-CG 3.66Å; F347-P370 HydrophobicContact CD1-CB 4.32Å; F347-P370 HydrophobicContact CD1-CG 4.34Å; F347-P370 WeakPolarHBondContact CD1-O 3.36Å; F347-P370 HydrophobicContact CG-CG 4.32Å; F347-L372 HydrophobicContact CD1-CD1 4.23Å; F347-L372 HydrophobicContact CD1-CG 3.85Å; F347-L372 HydrophobicContact CE1-CB 4.09Å; F347-L372 HydrophobicContact CE1-CD1 3.8Å; F347-L372 HydrophobicContact CE1-CG 3.58Å; F347-L372 HydrophobicContact CE2-CD1 4.41Å; F347-L372 HydrophobicContact CZ-CD1 3.9Å; F347-L372 HydrophobicContact CZ-CG 4.2Å; F347-I456 WeakPolarHBondContact CE1-O 3.2Å; F347-I456 HydrophobicContact CZ-CG1 4.45Å; F347-E458 HydrophobicContact CD2-CG 3.36Å; F347-E458 HydrophobicContact CE2-CB 4.39Å; F347-E458 HydrophobicContact CE2-CG 3.43Å; F347-E458 VanDerWaalsContact CE2-CG 3.43Å; F347-E458 HydrophobicContact CG-CG 4.21Å; F347-E458 HydrophobicContact CZ-CG 4.3Å
348E90Very high79Confident72 Ų7277.6 Ų77.634%0.33642%0.417SS..  trans-93118.4-179-173.157.6-138.600110.6Q269 N346 S350 P370Q269-E348 PolarHBondContact NE2-OE2 2.94Å; N346-E348 PolarHBondContact O-N 3.03Å; E348-S350 WeakPolarHBondContact OE1-CB 3.43Å; E348-S350 PolarHBondContact OE1-N 3.07Å; E348-S350 PolarHBondContact OE1-OG 2.84Å; E348-P370 WeakPolarHBondContact O-CB 3.11Å
349K92.6Very high81.9Confident106 Ų10674.5 Ų74.546%0.46140%0.395SS..  trans-83-24.1179.7-64.7-173.4179.2-171.30113.3E366 T367 P370K349-E366 CarbonylContact O-C 3.57Å; K349-E366 VanDerWaalsContact O-CA 3.29Å; K349-E366 WeakPolarHBondContact O-CA 3.45Å; K349-T367 WeakPolarHBondContact CG-O 3.48Å; K349-T367 PolarHBondContact O-N 3.22Å; K349-P370 HydrophobicContact CG-CB 4.32Å; K349-P370 HydrophobicContact CG-CG 3.92Å
350S93.9Very high84.5Confident22 Ų2268.1 Ų68.115%0.15437%0.369CS..EExtended strand (participates in β ladder)trans-73.6133.7-174.168.30000112.4R271 E348R271-S350 PolarHBondContact NH2-O 2.82Å; E348-S350 WeakPolarHBondContact OE1-CB 3.43Å; E348-S350 PolarHBondContact OE1-N 3.07Å; E348-S350 PolarHBondContact OE1-OG 2.84Å
351I94.6Very high86.8Confident43 Ų4367.6 Ų67.622%0.22136%0.363CS..EExtended strand (participates in β ladder)trans-99.5112.2170.2-54176.9000106.5N363 V364 G365 Y470 V478I351-N363 PolarHBondContact O-OD1 3Å; I351-V364 HydrophobicContact CB-CG2 4.37Å; I351-V364 HydrophobicContact CG2-CG2 3.89Å; I351-V364 WeakPolarHBondContact O-CG2 3.12Å; I351-V364 PolarHBondContact O-N 2.99Å; I351-G365 WeakPolarHBondContact CB-O 3.36Å; I351-G365 PolarHBondContact N-O 2.85Å; I351-G365 PolarHBondContact O-N 3Å; I351-Y470 HydrophobicContact CD1-CD1 4.01Å; I351-Y470 HydrophobicContact CD1-CE1 4.12Å; I351-V478 HydrophobicContact CD1-CB 4.32Å; I351-V478 HydrophobicContact CD1-CG1 3.82Å; I351-V478 HydrophobicContact CG2-CB 4.26Å; I351-V478 HydrophobicContact CG2-CG1 4.42Å; I351-V478 HydrophobicContact CG2-CG2 4.32Å
352I95.5Very high88.6Confident30 Ų3064.8 Ų64.815%0.15435%0.348CS..EExtended strand (participates in β ladder)trans-109.8144-176.656.6173.1000111.1M267 P268 W361 L362M267-I352 HydrophobicContact CG-CD1 4.4Å; P268-I352 HydrophobicContact CG-CD1 4.15Å; P268-I352 HydrophobicContact CG-CG2 4.32Å; I352-W361 HydrophobicContact CB-CE3 3.99Å; I352-W361 HydrophobicContact CB-CZ3 4.21Å; I352-W361 HydrophobicContact CD1-CE3 3.74Å; I352-W361 HydrophobicContact CD1-CH2 4.34Å; I352-W361 HydrophobicContact CD1-CZ3 3.58Å; I352-W361 HydrophobicContact CG1-CE3 3.95Å; I352-W361 HydrophobicContact CG1-CZ3 3.72Å; I352-L362 CarbonylContact C-O 3.55Å; I352-L362 VanDerWaalsContact CA-O 3.32Å; I352-L362 WeakPolarHBondContact CA-O 3.41Å
353R94.8Very high90.4Very high63 Ų6367.2 Ų67.224%0.23836%0.361CS..EExtended strand (participates in β ladder)trans-113.6130.4176.6-172.5-16783.8176.810.7109.7D355 W361 L362 V364 Y476R353-D355 IonicContact CZ-OD2 3.78Å; R353-D355 IonicContact NH2-OD2 3.62Å; R353-D355 PolarHBondContact NH2-OD2 2.87Å; R353-W361 WeakPolarHBondContact O-CA 3.33Å; R353-L362 PolarHBondContact N-O 2.95Å; R353-L362 PolarHBondContact O-N 2.71Å; R353-V364 HydrophobicContact CB-CB 4.47Å; R353-V364 HydrophobicContact CB-CG1 3.56Å; R353-V364 HydrophobicContact CB-CG2 4.06Å; R353-Y476 VanDerWaalsContact NH1-CD2 3.27Å; R353-Y476 VanDerWaalsContact NH1-CG 3.35Å
354Y96.2Very high91.9Very high30 Ų3066 Ų6612%0.11835%0.353CS..EExtended strand (participates in β ladder)trans-94.2122.2167.8-178-119.5000110.7R264 K265 F285 F287 I356 D359 W361R264-Y354 WeakPolarHBondContact CB-OH 3.29Å; K265-Y354 HydrophobicContact CB-CE2 4.46Å; F285-Y354 HydrophobicContact CD1-CE1 4.11Å; F285-Y354 AromaticContact CE1-CE1 3.71Å; F285-Y354 HydrophobicContact CE1-CE1 3.71Å; F287-Y354 HydrophobicContact CE1-CD1 4.2Å; F287-Y354 HydrophobicContact CE1-CG 4.43Å; F287-Y354 HydrophobicContact CZ-CD1 4.41Å; Y354-I356 HydrophobicContact CD1-CG1 3.98Å; Y354-I356 HydrophobicContact CE1-CG1 3.94Å; Y354-D359 VanDerWaalsContact CE2-OD1 3.24Å; Y354-D359 WeakPolarHBondContact CE2-OD1 3.45Å; Y354-D359 VanDerWaalsContact CZ-OD1 3.26Å; Y354-D359 PolarHBondContact OH-OD1 2.85Å; Y354-W361 AromaticContact CD2-CD2 3.95Å; Y354-W361 HydrophobicContact CD2-CD2 3.95Å; Y354-W361 AromaticContact CD2-CE2 3.49Å; Y354-W361 VanDerWaalsContact CD2-CE2 3.49Å; Y354-W361 HydrophobicContact CD2-CG 4.26Å; Y354-W361 AromaticContact CD2-CZ2 3.83Å; Y354-W361 HydrophobicContact CD2-CZ2 3.83Å; Y354-W361 AromaticContact CD2-NE1 3.53Å; Y354-W361 HydrophobicContact CG-CD2 4.42Å; Y354-W361 AromaticContact CG-CE2 3.99Å; Y354-W361 HydrophobicContact CG-CH2 4.25Å; Y354-W361 AromaticContact CG-CZ2 3.88Å; Y354-W361 HydrophobicContact CG-CZ2 3.88Å
355D95Very high93.4Very high42 Ų4261.7 Ų61.723%0.22533%0.329CS..EExtended strand (participates in β ladder)trans-94.1107.2175.3-171.6-64.7000109.7R353 C357 S358 D359 T360R353-D355 IonicContact CZ-OD2 3.78Å; R353-D355 IonicContact NH2-OD2 3.62Å; R353-D355 PolarHBondContact NH2-OD2 2.87Å; D355-C357 VanDerWaalsContact C-N 3.31Å; D355-C357 PolarHBondContact O-N 2.81Å; D355-C357 PolarHBondContact OD1-N 3.33Å; D355-S358 VanDerWaalsContact CB-OG 3.27Å; D355-S358 WeakPolarHBondContact CB-OG 3.4Å; D355-S358 WeakPolarHBondContact OD1-CB 3.21Å; D355-S358 PolarHBondContact OD1-N 3.27Å; D355-S358 PolarHBondContact OD1-OG 3.1Å; D355-D359 VanDerWaalsContact O-CA 3.26Å; D355-D359 WeakPolarHBondContact O-CA 3.44Å; D355-D359 PolarHBondContact O-N 2.83Å; D355-T360 PolarHBondContact N-O 3.11Å; D355-T360 PolarHBondContact O-N 3.13Å
356I93.1Very high94.2Very high73 Ų7362.5 Ų62.537%0.37433%0.33SS..THydrogen-bonded Turntrans-65.2-35.2-173.5-62.2170000111.9V279 F285 Y354V279-I356 HydrophobicContact CB-CD1 4.32Å; V279-I356 HydrophobicContact CG1-CD1 3.87Å; V279-I356 HydrophobicContact CG2-CD1 3.73Å; F285-I356 HydrophobicContact CE2-CD1 4.07Å; F285-I356 HydrophobicContact CE2-CG1 4.45Å; F285-I356 HydrophobicContact CE2-CG2 4.46Å; F285-I356 HydrophobicContact CZ-CD1 4.22Å; F285-I356 HydrophobicContact CZ-CG1 4.12Å; F285-I356 HydrophobicContact CZ-CG2 3.83Å; Y354-I356 HydrophobicContact CD1-CG1 3.98Å; Y354-I356 HydrophobicContact CE1-CG1 3.94Å
357C93.1Very high94.5Very high134 Ų13457.6 Ų57.691%0.90530%0.304SS*.THydrogen-bonded Turntrans-73.5-41.6-175.3-67.50000111.5D355D355-C357 VanDerWaalsContact C-N 3.31Å; D355-C357 PolarHBondContact O-N 2.81Å; D355-C357 PolarHBondContact OD1-N 3.33Å
358S96Very high94.6Very high62 Ų6262.6 Ų62.643%0.43433%0.333SS..THydrogen-bonded Turntrans-92.3-9.6179.460.90000113.9D355 T360D355-S358 VanDerWaalsContact CB-OG 3.27Å; D355-S358 WeakPolarHBondContact CB-OG 3.4Å; D355-S358 WeakPolarHBondContact OD1-CB 3.21Å; D355-S358 PolarHBondContact OD1-N 3.27Å; D355-S358 PolarHBondContact OD1-OG 3.1Å; S358-T360 VanDerWaalsContact C-N 3.31Å; S358-T360 WeakPolarHBondContact O-CG2 3.24Å; S358-T360 PolarHBondContact O-N 2.74Å; S358-T360 PolarHBondContact OG-OG1 2.79Å
359D96.7Very high94.6Very high54 Ų5461.7 Ų61.729%0.28933%0.331SS..THydrogen-bonded Turntrans53.347.5-172.4-165.220.3000111.6K265 Y354 D355K265-D359 WeakPolarHBondContact CB-O 3.3Å; K265-D359 VanDerWaalsContact CB-OD1 3.29Å; K265-D359 WeakPolarHBondContact CB-OD1 3.46Å; K265-D359 WeakPolarHBondContact CD-O 3.5Å; K265-D359 PolarHBondContact N-OD1 2.94Å; K265-D359 PolarHBondContact N-OD2 2.82Å; Y354-D359 VanDerWaalsContact CE2-OD1 3.24Å; Y354-D359 WeakPolarHBondContact CE2-OD1 3.45Å; Y354-D359 VanDerWaalsContact CZ-OD1 3.26Å; Y354-D359 PolarHBondContact OH-OD1 2.85Å; D355-D359 VanDerWaalsContact O-CA 3.26Å; D355-D359 WeakPolarHBondContact O-CA 3.44Å; D355-D359 PolarHBondContact O-N 2.83Å
360T97.4Very high94.6Very high44 Ų4457.2 Ų57.227%0.2731%0.313SS..EExtended strand (participates in β ladder)trans-127153.8-177.665.20000113.4D355 S358D355-T360 PolarHBondContact N-O 3.11Å; D355-T360 PolarHBondContact O-N 3.13Å; S358-T360 VanDerWaalsContact C-N 3.31Å; S358-T360 WeakPolarHBondContact O-CG2 3.24Å; S358-T360 PolarHBondContact O-N 2.74Å; S358-T360 PolarHBondContact OG-OG1 2.79Å
361W97.5Very high94.5Very high37 Ų3757.4 Ų57.414%0.1431%0.31CS..EExtended strand (participates in β ladder)trans-107.6138.7173.9-73.797.9000110.1V251 K265 C266 M267 F287 I352 R353 Y354V251-W361 HydrophobicContact CG2-CZ2 3.79Å; K265-W361 PolarHBondContact O-NE1 2.84Å; C266-W361 PolarHBondContact O-NE1 3.26Å; C266-W361 VanDerWaalsContact O-NE1 3.16Å; M267-W361 HydrophobicContact CB-CZ2 4.33Å; M267-W361 HydrophobicContact CG-CD2 4.47Å; M267-W361 HydrophobicContact CG-CH2 3.53Å; M267-W361 HydrophobicContact CG-CZ2 3.26Å; M267-W361 HydrophobicContact CG-CZ3 4.27Å; M267-W361 HydrophobicContact SD-CH2 4.1Å; M267-W361 HydrophobicContact SD-CZ2 4.33Å; F287-W361 AromaticContact CD1-CH2 3.82Å; F287-W361 HydrophobicContact CD1-CH2 3.82Å; F287-W361 AromaticContact CD1-CZ2 3.93Å; F287-W361 HydrophobicContact CD1-CZ2 3.93Å; F287-W361 AromaticContact CE1-CH2 3.83Å; F287-W361 HydrophobicContact CE1-CH2 3.83Å; F287-W361 AromaticContact CE1-CZ2 3.92Å; F287-W361 HydrophobicContact CE1-CZ2 3.92Å; I352-W361 HydrophobicContact CB-CE3 3.99Å; I352-W361 HydrophobicContact CB-CZ3 4.21Å; I352-W361 HydrophobicContact CD1-CE3 3.74Å; I352-W361 HydrophobicContact CD1-CH2 4.34Å; I352-W361 HydrophobicContact CD1-CZ3 3.58Å; I352-W361 HydrophobicContact CG1-CE3 3.95Å; I352-W361 HydrophobicContact CG1-CZ3 3.72Å; R353-W361 WeakPolarHBondContact O-CA 3.33Å; Y354-W361 AromaticContact CD2-CD2 3.95Å; Y354-W361 HydrophobicContact CD2-CD2 3.95Å; Y354-W361 AromaticContact CD2-CE2 3.49Å; Y354-W361 VanDerWaalsContact CD2-CE2 3.49Å; Y354-W361 HydrophobicContact CD2-CG 4.26Å; Y354-W361 AromaticContact CD2-CZ2 3.83Å; Y354-W361 HydrophobicContact CD2-CZ2 3.83Å; Y354-W361 AromaticContact CD2-NE1 3.53Å; Y354-W361 HydrophobicContact CG-CD2 4.42Å; Y354-W361 AromaticContact CG-CE2 3.99Å; Y354-W361 HydrophobicContact CG-CH2 4.25Å; Y354-W361 AromaticContact CG-CZ2 3.88Å; Y354-W361 HydrophobicContact CG-CZ2 3.88Å
362L96.4Very high94.2Very high82 Ų8258.3 Ų58.343%0.42932%0.315SS..EExtended strand (participates in β ladder)trans-131.7137.2176.1-65.1169.8000109.3I352 R353 V364I352-L362 CarbonylContact C-O 3.55Å; I352-L362 VanDerWaalsContact CA-O 3.32Å; I352-L362 WeakPolarHBondContact CA-O 3.41Å; R353-L362 PolarHBondContact N-O 2.95Å; R353-L362 PolarHBondContact O-N 2.71Å; L362-V364 HydrophobicContact CB-CG1 4.32Å
363N96.4Very high93.7Very high94 Ų9458.7 Ų58.750%0.50332%0.316SS..EExtended strand (participates in β ladder)trans-75123.8163.8-176.4-7.5000108I351 G365I351-N363 PolarHBondContact O-OD1 3Å; N363-G365 PolarHBondContact OD1-N 3.37Å; N363-G365 VanDerWaalsContact OD1-N 3.11Å; N363-G365 PolarHBondContact OD1-O 2.63Å
364V96.2Very high93.6Very high18 Ų1857.1 Ų57.111%0.10932%0.315CS..EExtended strand (participates in β ladder)trans-116-4.4-175.7-66.20000113.2I351 R353 L362 Y476 T477 V478I351-V364 HydrophobicContact CB-CG2 4.37Å; I351-V364 HydrophobicContact CG2-CG2 3.89Å; I351-V364 WeakPolarHBondContact O-CG2 3.12Å; I351-V364 PolarHBondContact O-N 2.99Å; R353-V364 HydrophobicContact CB-CB 4.47Å; R353-V364 HydrophobicContact CB-CG1 3.56Å; R353-V364 HydrophobicContact CB-CG2 4.06Å; L362-V364 HydrophobicContact CB-CG1 4.32Å; V364-Y476 WeakPolarHBondContact CB-O 3.43Å; V364-T477 CarbonylContact O-C 3.59Å; V364-T477 WeakPolarHBondContact O-CA 3.08Å; V364-V478 HydrophobicContact CG2-CB 4.46Å; V364-V478 HydrophobicContact CG2-CG2 3.96Å; V364-V478 PolarHBondContact O-N 3.17Å
365G94.9Very high93.3Very high14 Ų1458.3 Ų58.314%0.14432%0.321CS..EExtended strand (participates in β ladder)trans172.4175.1-178.800000112.9I351 N363 V478I351-G365 WeakPolarHBondContact CB-O 3.36Å; I351-G365 PolarHBondContact N-O 2.85Å; I351-G365 PolarHBondContact O-N 3Å; N363-G365 PolarHBondContact OD1-N 3.37Å; N363-G365 VanDerWaalsContact OD1-N 3.11Å; N363-G365 PolarHBondContact OD1-O 2.63Å; G365-V478 WeakPolarHBondContact CA-O 3.37Å
366E94.1Very high93.2Very high129 Ų12960 Ų6060%0.60333%0.333SS*.EExtended strand (participates in β ladder)trans-138.7155.9176.2-66.1-178.3-177.800110K349K349-E366 CarbonylContact O-C 3.57Å; K349-E366 VanDerWaalsContact O-CA 3.29Å; K349-E366 WeakPolarHBondContact O-CA 3.45Å
367T92.2Very high93.2Very high11 Ų1157.1 Ų57.17%0.06732%0.319CS..  trans-119.7139.1172.8-176.80000110.9K349 N369 P370 Y470K349-T367 WeakPolarHBondContact CG-O 3.48Å; K349-T367 PolarHBondContact O-N 3.22Å; T367-N369 VanDerWaalsContact C-N 3.28Å; T367-N369 PolarHBondContact OG1-N 2.84Å; T367-P370 HydrophobicContact CG2-CB 4.03Å; T367-Y470 PolarHBondContact OG1-OH 2.91Å
368D89.4Confident93Very high154 Ų15454.4 Ų54.482%0.82430%0.295SS*.SBendtrans-78.5-16.8174.2-68.9-39.1000112.2P370D368-P370 VanDerWaalsContact C-CD 3.49Å; D368-P370 WeakPolarHBondContact O-CD 3.26Å
369N91Very high92.7Very high53 Ų5351.8 Ų51.828%0.28328%0.276SS..SBendtrans-12866.9-177.6-167.930.2000111T367 T457T367-N369 VanDerWaalsContact C-N 3.28Å; T367-N369 PolarHBondContact OG1-N 2.84Å; N369-T457 WeakPolarHBondContact OD1-CG2 3.22Å
370P92.3Very high92.1Very high13 Ų1352.1 Ų52.18%0.08428%0.278CS..  trans-60.4140.318028.3-37.3000111F347 E348 K349 T367 D368F347-P370 HydrophobicContact CB-CB 4Å; F347-P370 HydrophobicContact CB-CG 3.66Å; F347-P370 HydrophobicContact CD1-CB 4.32Å; F347-P370 HydrophobicContact CD1-CG 4.34Å; F347-P370 WeakPolarHBondContact CD1-O 3.36Å; F347-P370 HydrophobicContact CG-CG 4.32Å; E348-P370 WeakPolarHBondContact O-CB 3.11Å; K349-P370 HydrophobicContact CG-CB 4.32Å; K349-P370 HydrophobicContact CG-CG 3.92Å; T367-P370 HydrophobicContact CG2-CB 4.03Å; D368-P370 VanDerWaalsContact C-CD 3.49Å; D368-P370 WeakPolarHBondContact O-CD 3.26Å
371R91.9Very high90.7Very high25 Ų2554 Ų549%0.09428%0.283CS..  trans-119.7145.1-179.8-48.8-169.9-173.8-173.30.2111.6E452 G454 I456 T457 T464 Q466R371-E452 WeakPolarHBondContact CB-OE1 3.37Å; R371-E452 IonicContact NE-OE2 3.58Å; R371-G454 WeakPolarHBondContact CD-O 3.46Å; R371-G454 PolarHBondContact NH1-O 3.34Å; R371-G454 VanDerWaalsContact NH1-O 3.09Å; R371-I456 VanDerWaalsContact CA-O 3.26Å; R371-I456 WeakPolarHBondContact CA-O 3.05Å; R371-T457 HydrophobicContact CG-CG2 3.99Å; R371-T464 PolarHBondContact NH1-OG1 3.03Å; R371-T464 VanDerWaalsContact NH1-OG1 3.17Å; R371-Q466 VanDerWaalsContact CZ-O 3.26Å; R371-Q466 PolarHBondContact NH1-O 3.15Å; R371-Q466 PolarHBondContact NH2-O 3.2Å
372L88.2Confident88.9Confident63 Ų6355 Ų5533%0.3330%0.296SS..EExtended strand (participates in β ladder)trans-101.9148.6163.6-68.3172.4000108.5F347 S374 G455 I456F347-L372 HydrophobicContact CD1-CD1 4.23Å; F347-L372 HydrophobicContact CD1-CG 3.85Å; F347-L372 HydrophobicContact CE1-CB 4.09Å; F347-L372 HydrophobicContact CE1-CD1 3.8Å; F347-L372 HydrophobicContact CE1-CG 3.58Å; F347-L372 HydrophobicContact CE2-CD1 4.41Å; F347-L372 HydrophobicContact CZ-CD1 3.9Å; F347-L372 HydrophobicContact CZ-CG 4.2Å; L372-S374 PolarHBondContact O-N 2.97Å; L372-S374 VanDerWaalsContact O-N 3.13Å; L372-G455 CarbonylContact O-C 3.6Å; L372-G455 WeakPolarHBondContact O-CA 3.39Å; L372-I456 HydrophobicContact CB-CD1 4.38Å; L372-I456 HydrophobicContact CB-CG1 3.9Å; L372-I456 PolarHBondContact N-O 2.57Å; L372-I456 PolarHBondContact O-N 3.31Å
373E86Confident86.5Confident38 Ų3855.8 Ų55.818%0.17830%0.301CS..EExtended strand (participates in β ladder)trans64.613.5174.3-35.4-167.5154.500115.1R273 R492R273-E373 IonicContact CZ-OE1 3.44Å; R273-E373 IonicContact NH2-OE1 3.75Å; R273-E373 PolarHBondContact NH2-OE1 3.36Å; R273-E373 IonicContact NH2-OE2 2.81Å; E373-R492 IonicContact OE1-CZ 3.98Å; E373-R492 IonicContact OE1-NE 3.8Å; E373-R492 IonicContact OE1-NH2 3.02Å; E373-R492 PolarHBondContact OE1-NH2 2.85Å; E373-R492 WeakPolarHBondContact OE2-CG 3.29Å; E373-R492 IonicContact OE2-CZ 3.94Å; E373-R492 IonicContact OE2-NE 3.98Å; E373-R492 PolarHBondContact OE2-NE 2.63Å; E373-R492 IonicContact OE2-NH2 3.01Å; E373-R492 PolarHBondContact OE2-NH2 3.44Å
374S90.9Very high84Confident29 Ų2957.4 Ų57.420%0.20331%0.305CS..EExtended strand (participates in β ladder)trans-75.4156.9171.659.50000111.2L372 E452L372-S374 PolarHBondContact O-N 2.97Å; L372-S374 VanDerWaalsContact O-N 3.13Å; S374-E452 VanDerWaalsContact CB-OE1 3.3Å; S374-E452 WeakPolarHBondContact CB-OE1 3.42Å; S374-E452 PolarHBondContact OG-OE1 3.46Å
375H91.7Very high80.9Confident55 Ų5564.2 Ų64.226%0.25534%0.341SS..EExtended strand (participates in β ladder)trans-109140168.8-89.7-101.5000110.3E452 I453 V494 N495 C496H375-E452 CarbonylContact O-C 3.5Å; H375-E452 WeakPolarHBondContact O-CA 3.35Å; H375-I453 PolarHBondContact N-O 2.9Å; H375-I453 PolarHBondContact O-N 2.7Å; H375-V494 PolarHBondContact CD2-O 2.98Å; H375-V494 PolarHBondContact NE2-O 2.88Å; H375-N495 VanDerWaalsContact CE1-CG 3.43Å; H375-N495 PolarHBondContact CE1-OD1 3.27Å; H375-N495 PolarHBondContact ND1-OD1 3.2Å; H375-C496 VanDerWaalsContact CB-SG 3.57Å
376V92.5Very high78.1Confident77 Ų7766.6 Ų66.647%0.46736%0.359SS..EExtended strand (participates in β ladder)trans-119.4128.4179.5-178.90000109.5F450 V451 E452V376-F450 HydrophobicContact CG1-CB 3.93Å; V376-F450 HydrophobicContact CG1-CD1 3.92Å; V376-F450 HydrophobicContact CG1-CG 4.33Å; V376-V451 WeakPolarHBondContact CA-O 3.33Å; V376-E452 HydrophobicContact CG2-CB 4.14Å; V376-E452 HydrophobicContact CG2-CG 4.04Å
377V92.2Very high74.9Confident14 Ų1464.3 Ų64.39%0.08536%0.357CS..EExtended strand (participates in β ladder)trans-117.3150.1170.8-62.70000110.3I379 F450 V451 C496 A498 V505V377-I379 HydrophobicContact CG2-CD1 4.44Å; V377-F450 CarbonylContact O-C 3.54Å; V377-F450 WeakPolarHBondContact O-CA 3.09Å; V377-V451 HydrophobicContact CG2-CB 3.83Å; V377-V451 PolarHBondContact N-O 3.45Å; V377-V451 PolarHBondContact O-N 3.35Å; V377-C496 HydrophobicContact CG1-CB 4.47Å; V377-A498 HydrophobicContact CB-CB 4.12Å; V377-A498 HydrophobicContact CG2-CB 4.34Å; V377-V505 HydrophobicContact CG2-CG1 4.09Å; V377-V505 HydrophobicContact CG2-CG2 3.98Å
378L90.1Very high71.7Confident76 Ų7673.2 Ų73.240%0.39840%0.396SS..EExtended strand (participates in β ladder)trans-105133.7177.2177.665.9000109.8R448 F450L378-R448 HydrophobicContact CD1-CB 4.07Å; L378-F450 HydrophobicContact CB-CD1 4.25Å; L378-F450 HydrophobicContact CB-CE1 4.29Å; L378-F450 HydrophobicContact CD1-CD1 3.83Å; L378-F450 HydrophobicContact CD1-CE1 3.7Å; L378-F450 HydrophobicContact CD1-CG 4.35Å; L378-F450 HydrophobicContact CD1-CZ 4.11Å; L378-F450 HydrophobicContact CG-CE1 4.42Å
379I88.8Confident68.8Low8 Ų873.5 Ų73.54%0.04140%0.397CS..EExtended strand (participates in β ladder)trans-129.2138.7-179.6-58177.6000109.3V377 V449 V451 A498 V505 L520V377-I379 HydrophobicContact CG2-CD1 4.44Å; I379-V449 PolarHBondContact N-O 3.03Å; I379-V449 PolarHBondContact O-N 2.83Å; I379-V451 HydrophobicContact CD1-CG2 3.73Å; I379-V451 HydrophobicContact CG1-CG2 4.4Å; I379-A498 HydrophobicContact CD1-CB 4.46Å; I379-A498 HydrophobicContact CG1-CB 4.01Å; I379-V505 HydrophobicContact CD1-CG2 3.53Å; I379-L520 HydrophobicContact CD1-CD1 3.02Å; I379-L520 HydrophobicContact CD1-CG 4.37Å; I379-L520 HydrophobicContact CG1-CD1 4.45Å
380N83.6Confident65.8Low60 Ų6079 Ų7932%0.32143%0.425SS..EExtended strand (participates in β ladder)trans-92.1108.4172.4-63.8-42.5000107.8S382 F446 R448N380-S382 PolarHBondContact O-N 2.91Å; N380-S382 VanDerWaalsContact O-N 3.14Å; N380-F446 HydrophobicContact CB-CD1 4.47Å; N380-R448 WeakPolarHBondContact OD1-CG 3.24Å; N380-R448 PolarHBondContact OD1-NE 3.3Å
381E68.7Low62.6Low83 Ų8387.1 Ų87.139%0.38846%0.463SS..EExtended strand (participates in β ladder)trans-72.6110.1169.9-74.4-169.4165.900108.7N383 E447 V449E381-N383 PolarHBondContact O-N 3.21Å; E381-E447 WeakPolarHBondContact CB-O 3.26Å; E381-E447 PolarHBondContact N-O 2.9Å; E381-V449 HydrophobicContact CG-CG2 3.92Å
382S59.2Low59.5Low59 Ų5991.7 Ų91.741%0.41350%0.498SS..  trans-70119165.656.50000108.6N380 E384N380-S382 PolarHBondContact O-N 2.91Å; N380-S382 VanDerWaalsContact O-N 3.14Å; S382-E384 VanDerWaalsContact C-N 3.32Å; S382-E384 PolarHBondContact O-N 3.31Å
383N46.3Very low56.6Low99 Ų9993.6 Ų93.653%0.52952%0.517SS..  trans-63.592.2170.5-122.7-33.5000108.5E381 N385 A386E381-N383 PolarHBondContact O-N 3.21Å; N383-N385 PolarHBondContact O-N 3.01Å; N383-A386 PolarHBondContact O-N 2.9Å
384E43.4Very low53.8Low128 Ų12898.7 Ų98.760%0.59855%0.545SS*.G310 helixtrans-62.2-6.9177.9-75.4-167.5156.800113S382 A386 S387S382-E384 VanDerWaalsContact C-N 3.32Å; S382-E384 PolarHBondContact O-N 3.31Å; E384-A386 PolarHBondContact O-N 2.81Å; E384-S387 PolarHBondContact O-OG 3.16Å; E384-S387 VanDerWaalsContact O-OG 3.12Å
385N31.6Very low50.6Low161 Ų161101 Ų10186%0.86157%0.574SS**G310 helixtrans-78.40.5169.8-74.4-27.5000114.6N383N383-N385 PolarHBondContact O-N 3.01Å
386A35.5Very low47.6Very low63 Ų63106.4 Ų106.452%0.52160%0.603SS.*G310 helixtrans-99.4-7177.100000114.5N383 E384 F388N383-A386 PolarHBondContact O-N 2.9Å; E384-A386 PolarHBondContact O-N 2.81Å; A386-F388 VanDerWaalsContact C-N 3.32Å; A386-F388 PolarHBondContact O-N 3.46Å
387S26.8Very low44.3Very low81 Ų81110.8 Ų110.857%0.56662%0.618SS**  trans-92.249.2-177.745.70000113.6E384E384-S387 PolarHBondContact O-OG 3.16Å; E384-S387 VanDerWaalsContact O-OG 3.12Å
388F26.6Very low41Very low198 Ų198118.9 Ų118.987%0.86866%0.655SS**SBendtrans-12878.1150.7-89.1-83.3000107.3A386A386-F388 VanDerWaalsContact C-N 3.32Å; A386-F388 PolarHBondContact O-N 3.46Å
389N27.9Very low37.8Very low161 Ų161121.1 Ų121.186%0.86167%0.672SS**  trans159.970.9153.5-80.8-35.1000109.8
390L27.3Very low34.7Very low167 Ų167128.9 Ų128.987%0.87471%0.714SS**  trans-120.982.4159.3-96.9132.5000107.4
391Q25.8Very low31.9Very low185 Ų185130.5 Ų130.586%0.86473%0.73SS**  trans-78.6127.9153.6-84.6-176.7-20.200107.5S393Q391-S393 PolarHBondContact O-N 2.74Å
392S26.5Very low29.9Very low120 Ų120135.9 Ų135.984%0.83976%0.755SS**  trans-30.8123.6169.451.30000114.6
393S27.9Very low28.3Very low103 Ų103142 Ų14272%0.7278%0.777SS**  trans-149.9106.1149.7-173.10000109.6Q391Q391-S393 PolarHBondContact O-N 2.74Å
394D25.7Very low27.2Very low145 Ų145144.2 Ų144.278%0.77579%0.789SS**  trans46.8125.7138.5-57.9-34000121.2
395G24Very low26.4Very low79 Ų79143.2 Ų143.281%0.81480%0.796SS**  trans-57.9143.6177.600000113.7
396I28.2Very low26.2Very low167 Ų167144.4 Ų144.486%0.85680%0.801SS**  trans-110.8113.9170-63.7175.8000106.9
397H23.7Very low25.6Very low169 Ų169152.9 Ų152.978%0.78282%0.819SS**  trans-48.4136171.8-101.8-91.6000112.9T399H397-T399 PolarHBondContact O-N 3.08Å
398E22.9Very low25.6Very low185 Ų185154 Ų15486%0.86483%0.828SS**  trans-48.7120.1154.5-73.2174.8147.200109.3
399T24Very low25.4Very low123 Ų123152.1 Ų152.176%0.75583%0.827SS**  trans-112.498.4165.7330000107.8H397 S401H397-T399 PolarHBondContact O-N 3.08Å; T399-S401 VanDerWaalsContact C-N 3.33Å; T399-S401 PolarHBondContact O-N 2.83Å
400D23.2Very low25.3Very low171 Ų171152.8 Ų152.891%0.91483%0.829SS**  trans-62.591.9161.8-85-35.8000109.4
401S25.4Very low25.1Very low94 Ų94149.7 Ų149.766%0.65782%0.821SS**  trans-164.194.2158.1530000110T399T399-S401 VanDerWaalsContact C-N 3.33Å; T399-S401 PolarHBondContact O-N 2.83Å
402E27Very low24.9Very low195 Ų195147.5 Ų147.591%0.91182%0.816SS**  trans-16466.8138.1-105.4170.8-156.100110.1N404E402-N404 VanDerWaalsContact C-N 3.3Å; E402-N404 PolarHBondContact O-N 3.47Å
403Q24.6Very low24.7Very low187 Ų187148.5 Ų148.587%0.87481%0.811SS**  trans-67.894.8144-78.1-177.5-9.600107.4
404N23.5Very low24.4Very low147 Ų147148.9 Ų148.979%0.78681%0.81SS**  trans171.1148.2134.2-91.4-37.5000111.3E402E402-N404 VanDerWaalsContact C-N 3.3Å; E402-N404 PolarHBondContact O-N 3.47Å
405S25.5Very low24.2Very low106 Ų106147 Ų14774%0.74181%0.808SS**  trans85.865.516375.60000118.7
406L28.2Very low24.1Very low186 Ų186149.2 Ų149.297%0.97481%0.805SS**  trans-132.667.4132.5-75.1175.3000109
407R22.3Very low23.8Very low241 Ų241145.7 Ų145.791%0.90980%0.795SS**  trans-129.7105.8161.1-93-169.8173.4-173.5-0.6108.2
408S26.5Very low23.6Very low106 Ų106145.3 Ų145.374%0.74179%0.794SS**  trans165.297156.837.60000104
409D23.9Very low23.6Very low158 Ų158141.7 Ų141.785%0.84578%0.781SS**  33.959.757.8-72.9-1.7000112S411D409-S411 PolarHBondContact O-N 2.5Å
410L24.8Very low23.5Very low175 Ų175142.1 Ų142.192%0.91678%0.779SS**  trans-5.699.8141.7-62.3163.2000114.2
411S24.2Very low23.5Very low101 Ų101139.8 Ų139.871%0.70677%0.771SS**  trans-146117.7149.747.30000109.5D409D409-S411 PolarHBondContact O-N 2.5Å
412D20.4Very low23.3Very low140 Ų140140.9 Ų140.975%0.74977%0.773SS**  trans31.3111.9139.5-58.7-23.4000118.5
413N23.2Very low23.2Very low140 Ų140139.4 Ų139.475%0.74977%0.772SS**  161.9131102-89.6-44000113.6
414T22.1Very low23.1Very low112 Ų112137.1 Ų137.169%0.68777%0.766SS**  trans59.3106.9136.361.20000121.3
415S20.2Very low23.2Very low106 Ų106137.4 Ų137.474%0.74177%0.767SS**  63.7154.7117.5710000122.4
416V23.4Very low23.1Very low124 Ų124136.7 Ų136.775%0.75276%0.762SS**  trans95.387.7170-169.20000112.3
417S20.5Very low22.8Very low93 Ų93136 Ų13665%0.6576%0.759SS**  67.2123.974.976.30000115.6
418E20.3Very low23.1Very low161 Ų161128.1 Ų128.175%0.75275%0.753SS**  trans92.8128.9137.2-88.2-175.3-156.200122.5
419N22.1Very low22.8Very low109 Ų109129.6 Ų129.658%0.58376%0.758SS**  trans104114.4134.7-70.1-27.3000120.7
420N22Very low22.9Very low133 Ų133129.1 Ų129.171%0.71176%0.756SS**  63.4145.6123.9-57.8-26000117.3
421T23.4Very low23Very low122 Ų122128.8 Ų128.875%0.74875%0.749SS**  cis-170.7156.134.1-25.80000109.1
422T20.5Very low23Very low116 Ų116130 Ų13071%0.71275%0.752SS**  trans-29149.8162.152.60000119.5
423N26.6Very low23.3Very low164 Ų164130.4 Ų130.488%0.87776%0.755SS**  trans-153.3138.2134.6-120.7-13.2000114.6
424N21.5Very low23.4Very low140 Ų140133.8 Ų133.875%0.74976%0.763SS**  trans-80153.3178.1-76-40.2000112.6
425N26.5Very low23.6Very low152 Ų152134.3 Ų134.381%0.81377%0.766SS**  175.8114.7121.3-93.3-14.1000114.7
426S22.7Very low23.9Very low91 Ų91140.1 Ų140.164%0.63677%0.772SS**  trans25.2135.2130.360.70000124.4
427N22.3Very low24Very low172 Ų172145.5 Ų145.592%0.9278%0.778SS**  trans74.5116.9135.9-70.8-8.4000121.2
428G27Very low24.2Very low76 Ų76151.3 Ų151.378%0.78479%0.786SS**  trans171.878163.800000113.4N430G428-N430 PolarHBondContact O-N 2.99Å
429T22.1Very low24.6Very low137 Ų137150.9 Ų150.984%0.8479%0.789SS**  trans-61.6118.3162.734.30000110.7
430N26.1Very low24.9Very low148 Ų148152.2 Ų152.279%0.79180%0.796SS**  trans-163.3115.5144.4-100.6-20.9000112G428G428-N430 PolarHBondContact O-N 2.99Å
431Q25.7Very low25.5Very low168 Ų168150.2 Ų150.279%0.78579%0.792SS**  trans35.4108.1141.6-67.3179.6600119N433Q431-N433 PolarHBondContact O-N 2.8Å
432T25.2Very low26.1Very low125 Ų125152.4 Ų152.477%0.76780%0.796SS**  29.781.6126.857.10000116.5
433N25.3Very low26.8Very low150 Ų150153.2 Ų153.280%0.80280%0.796SS**  trans-151.294.1136.4-96.4-26.8000107.7Q431 T435Q431-N433 PolarHBondContact O-N 2.8Å; N433-T435 PolarHBondContact O-N 2.82Å
434K26.1Very low27.5Very low210 Ų210149 Ų14991%0.91378%0.777SS**  trans-67.172.8165.6-73.4178.6176.9175.10108.1R436K434-R436 PolarHBondContact O-N 2.74Å
435T25.6Very low28.8Very low124 Ų124147.8 Ų147.876%0.76177%0.77SS**  trans-69.783155.538.60000106.3N433 R437N433-T435 PolarHBondContact O-N 2.82Å; T435-R437 VanDerWaalsContact C-N 3.32Å; T435-R437 PolarHBondContact O-N 3.29Å
436R26.6Very low30.2Very low228 Ų228146 Ų14686%0.8676%0.755SS**  trans-48.3104.9159.6-92.9176148.7169.1-7.8105.8K434 R438K434-R436 PolarHBondContact O-N 2.74Å; R436-R438 PolarHBondContact O-N 3.5Å
437R25.6Very low32.6Very low236 Ų236145 Ų14589%0.89174%0.74SS**  trans-5294.6154.6-86.1-179.8163.1170.7-5.7105.2T435 N439T435-R437 VanDerWaalsContact C-N 3.32Å; T435-R437 PolarHBondContact O-N 3.29Å; R437-N439 PolarHBondContact O-N 2.88Å
438R26.1Very low35.7Very low215 Ų215142.2 Ų142.281%0.81172%0.717SS**  trans-64.197.6162.7-88.3-179.8164.9164.8-5.5103.9R436 N440R436-R438 PolarHBondContact O-N 3.5Å; R438-N440 PolarHBondContact O-N 3.1Å
439N28.1Very low38.8Very low152 Ų152138.9 Ų138.981%0.81368%0.682SS**  trans-59.694.2155-85.4-1.6000105.5R437 S441R437-N439 PolarHBondContact O-N 2.88Å; N439-S441 PolarHBondContact O-N 2.62Å
440N28.5Very low42.1Very low137 Ų137135 Ų13573%0.73365%0.653SS**  trans-68.584.5162.6-88.3-1.4000107R438R438-N440 PolarHBondContact O-N 3.1Å
441S35Very low45.4Very low91 Ų91127.9 Ų127.964%0.63662%0.615SS**  trans-140.381.1146.4170.10000102.9N439 N443N439-S441 PolarHBondContact O-N 2.62Å; S441-N443 VanDerWaalsContact C-N 3.26Å; S441-N443 PolarHBondContact O-N 3.4Å
442M34.8Very low48.7Very low168 Ų168120.6 Ų120.683%0.82858%0.581SS**  trans-65.7101.3163.6-73.1-170-164.100104.6V444M442-V444 VanDerWaalsContact C-N 3.26Å; M442-V444 PolarHBondContact O-N 2.87Å
443N35.3Very low52Low134 Ų134114.6 Ų114.672%0.71754%0.544SS*.  trans-53102.9158.4-86.3-19.9000105.9S441 N445S441-N443 VanDerWaalsContact C-N 3.26Å; S441-N443 PolarHBondContact O-N 3.4Å; N443-N445 PolarHBondContact O-N 3.4Å
444V41.4Very low55.2Low76 Ų76107.5 Ų107.546%0.46151%0.506SS..  trans-62.498.5165.2179.60000104.3M442 F446M442-V444 VanDerWaalsContact C-N 3.26Å; M442-V444 PolarHBondContact O-N 2.87Å; V444-F446 HydrophobicContact CB-CD2 4.38Å; V444-F446 HydrophobicContact CB-CE2 3.95Å; V444-F446 HydrophobicContact CB-CZ 4.29Å; V444-F446 HydrophobicContact CG1-CD1 4.34Å; V444-F446 HydrophobicContact CG1-CD2 4.09Å; V444-F446 HydrophobicContact CG1-CE1 4.03Å; V444-F446 HydrophobicContact CG1-CE2 3.76Å; V444-F446 HydrophobicContact CG1-CG 4.37Å; V444-F446 HydrophobicContact CG1-CZ 3.74Å; V444-F446 VanDerWaalsContact O-CD2 3.3Å; V444-F446 WeakPolarHBondContact O-CD2 3.09Å; V444-F446 PolarHBondContact O-N 2.97Å
445N49.1Very low58.3Low114 Ų11497.5 Ų97.561%0.6146%0.463SS*.  trans-68.790.7171.3-88.4-5.6000106.3N443 E447N443-N445 PolarHBondContact O-N 3.4Å; N445-E447 PolarHBondContact O-N 3.26Å
446F55.5Low61.4Low113 Ų11392.7 Ų92.750%0.49643%0.432SS..PPolyproline II helixtrans-62.1116.4163.4-65.8-82.7000107N380 V444 R448N380-F446 HydrophobicContact CB-CD1 4.47Å; V444-F446 HydrophobicContact CB-CD2 4.38Å; V444-F446 HydrophobicContact CB-CE2 3.95Å; V444-F446 HydrophobicContact CB-CZ 4.29Å; V444-F446 HydrophobicContact CG1-CD1 4.34Å; V444-F446 HydrophobicContact CG1-CD2 4.09Å; V444-F446 HydrophobicContact CG1-CE1 4.03Å; V444-F446 HydrophobicContact CG1-CE2 3.76Å; V444-F446 HydrophobicContact CG1-CG 4.37Å; V444-F446 HydrophobicContact CG1-CZ 3.74Å; V444-F446 VanDerWaalsContact O-CD2 3.3Å; V444-F446 WeakPolarHBondContact O-CD2 3.09Å; V444-F446 PolarHBondContact O-N 2.97Å; F446-R448 PolarHBondContact O-N 2.77Å
447E74Confident64.5Low71 Ų7182 Ų8233%0.33239%0.392SS..EExtended strand (participates in β ladder)trans-73.6124166.7-161.5170.4179.400106.4E381 N445 R471E381-E447 WeakPolarHBondContact CB-O 3.26Å; E381-E447 PolarHBondContact N-O 2.9Å; N445-E447 PolarHBondContact O-N 3.26Å; E447-R471 VanDerWaalsContact CD-NH1 3.28Å; E447-R471 VanDerWaalsContact OE1-CD 3.24Å; E447-R471 WeakPolarHBondContact OE1-CD 3.48Å; E447-R471 IonicContact OE1-CZ 3.12Å; E447-R471 IonicContact OE1-NE 3.87Å; E447-R471 IonicContact OE1-NH1 3.16Å; E447-R471 PolarHBondContact OE1-NH1 3.04Å; E447-R471 IonicContact OE2-NH1 3.63Å; E447-R471 PolarHBondContact OE2-NH1 3.18Å; E447-R471 VanDerWaalsContact OE2-NH1 3.16Å
448R87.4Confident67.5Low114 Ų11478.2 Ų78.243%0.4339%0.385SS..EExtended strand (participates in β ladder)trans-96.5132.2-178.5-78.4-173-179176.35.7109L378 N380 F446 L472L378-R448 HydrophobicContact CD1-CB 4.07Å; N380-R448 WeakPolarHBondContact OD1-CG 3.24Å; N380-R448 PolarHBondContact OD1-NE 3.3Å; F446-R448 PolarHBondContact O-N 2.77Å; R448-L472 HydrophobicContact CB-CB 3.97Å; R448-L472 HydrophobicContact CB-CD2 3.99Å; R448-L472 HydrophobicContact CB-CG 4.49Å; R448-L472 WeakPolarHBondContact O-CB 3.42Å; R448-L472 PolarHBondContact O-N 2.94Å
449V90.9Very high70.5Confident6 Ų672.7 Ų72.74%0.03638%0.379CS..EExtended strand (participates in β ladder)trans-122.4125.7-176.3-176.40000109.3I379 E381 V451 F469 Y470 R471I379-V449 PolarHBondContact N-O 3.03Å; I379-V449 PolarHBondContact O-N 2.83Å; E381-V449 HydrophobicContact CG-CG2 3.92Å; V449-V451 HydrophobicContact CG1-CG2 4.33Å; V449-F469 HydrophobicContact CG1-CB 4.21Å; V449-F469 HydrophobicContact CG1-CD1 3.87Å; V449-Y470 CarbonylContact C-O 3.49Å; V449-Y470 WeakPolarHBondContact CA-O 3.41Å; V449-R471 HydrophobicContact CG2-CG 4.38Å
450F92.9Very high73.4Confident54 Ų5467.2 Ų67.224%0.23735%0.348CS..EExtended strand (participates in β ladder)trans-85.6133.6165.1-61-78.2000108.9V376 V377 L378 F469 Y470 L472 V478V376-F450 HydrophobicContact CG1-CB 3.93Å; V376-F450 HydrophobicContact CG1-CD1 3.92Å; V376-F450 HydrophobicContact CG1-CG 4.33Å; V377-F450 CarbonylContact O-C 3.54Å; V377-F450 WeakPolarHBondContact O-CA 3.09Å; L378-F450 HydrophobicContact CB-CD1 4.25Å; L378-F450 HydrophobicContact CB-CE1 4.29Å; L378-F450 HydrophobicContact CD1-CD1 3.83Å; L378-F450 HydrophobicContact CD1-CE1 3.7Å; L378-F450 HydrophobicContact CD1-CG 4.35Å; L378-F450 HydrophobicContact CD1-CZ 4.11Å; L378-F450 HydrophobicContact CG-CE1 4.42Å; F450-F469 WeakPolarHBondContact O-CA 3.38Å; F450-Y470 HydrophobicContact CB-CD2 4.43Å; F450-Y470 PolarHBondContact N-O 3.03Å; F450-Y470 PolarHBondContact O-N 2.76Å; F450-L472 HydrophobicContact CE2-CB 3.98Å; F450-L472 HydrophobicContact CE2-CD1 4.19Å; F450-L472 HydrophobicContact CE2-CD2 4.34Å; F450-L472 HydrophobicContact CE2-CG 4.41Å; F450-L472 HydrophobicContact CZ-CD2 4.39Å; F450-V478 HydrophobicContact CD2-CG1 4.32Å; F450-V478 HydrophobicContact CE2-CG2 3.98Å
451V94.1Very high76.1Confident0 Ų064 Ų640%034%0.335CS..EExtended strand (participates in β ladder)trans-115.2117.1176.8-175.80000107.8V376 V377 I379 V449 I453 V467 A468 F469 L520V376-V451 WeakPolarHBondContact CA-O 3.33Å; V377-V451 HydrophobicContact CG2-CB 3.83Å; V377-V451 PolarHBondContact N-O 3.45Å; V377-V451 PolarHBondContact O-N 3.35Å; I379-V451 HydrophobicContact CD1-CG2 3.73Å; I379-V451 HydrophobicContact CG1-CG2 4.4Å; V449-V451 HydrophobicContact CG1-CG2 4.33Å; V451-I453 HydrophobicContact CG1-CD1 4.21Å; V451-I453 HydrophobicContact CG1-CG1 4.03Å; V451-V467 HydrophobicContact CG1-CG1 3.3Å; V451-A468 WeakPolarHBondContact CA-O 3.46Å; V451-F469 HydrophobicContact CG1-CD1 4.48Å; V451-F469 HydrophobicContact CG1-CE1 4.15Å; V451-F469 HydrophobicContact CG2-CD1 3.84Å; V451-F469 HydrophobicContact CG2-CE1 3.86Å; V451-L520 HydrophobicContact CG1-CD2 4.46Å; V451-L520 HydrophobicContact CG2-CD1 3.83Å
452E95.1Very high78.5Confident14 Ų1467 Ų677%0.06534%0.339CS..EExtended strand (participates in β ladder)trans-103.5124.3179.6-177.3179.1-155.700110.1R371 S374 H375 V376 V467 A468 Y470R371-E452 WeakPolarHBondContact CB-OE1 3.37Å; R371-E452 IonicContact NE-OE2 3.58Å; S374-E452 VanDerWaalsContact CB-OE1 3.3Å; S374-E452 WeakPolarHBondContact CB-OE1 3.42Å; S374-E452 PolarHBondContact OG-OE1 3.46Å; H375-E452 CarbonylContact O-C 3.5Å; H375-E452 WeakPolarHBondContact O-CA 3.35Å; V376-E452 HydrophobicContact CG2-CB 4.14Å; V376-E452 HydrophobicContact CG2-CG 4.04Å; E452-V467 CarbonylContact O-C 3.57Å; E452-V467 WeakPolarHBondContact O-CA 3.38Å; E452-A468 HydrophobicContact CB-CB 4.37Å; E452-A468 PolarHBondContact N-O 3.48Å; E452-A468 PolarHBondContact O-N 3.39Å; E452-Y470 HydrophobicContact CB-CE2 3.82Å; E452-Y470 VanDerWaalsContact OE2-CE2 3.27Å; E452-Y470 WeakPolarHBondContact OE2-CE2 3.44Å; E452-Y470 PolarHBondContact OE2-OH 3.12Å
453I94.7Very high81.2Confident0 Ų059 Ų590%030%0.299CS..EExtended strand (participates in β ladder)trans-125.1135.7-174.6-51.1-174.5000109.8H375 V451 V467 L487 V494 C496 V505 I507 L518H375-I453 PolarHBondContact N-O 2.9Å; H375-I453 PolarHBondContact O-N 2.7Å; V451-I453 HydrophobicContact CG1-CD1 4.21Å; V451-I453 HydrophobicContact CG1-CG1 4.03Å; I453-V467 HydrophobicContact CD1-CG1 4.43Å; I453-V467 HydrophobicContact CD1-CG2 4.47Å; I453-V467 HydrophobicContact CG1-CG1 3.94Å; I453-V467 HydrophobicContact CG1-CG2 4.11Å; I453-V467 HydrophobicContact CG2-CG2 4.23Å; I453-L487 HydrophobicContact CG2-CD1 4.31Å; I453-V494 HydrophobicContact CG2-CG2 4.08Å; I453-C496 HydrophobicContact CD1-CB 4.38Å; I453-V505 HydrophobicContact CD1-CG1 3.82Å; I453-I507 HydrophobicContact CD1-CD1 3.91Å; I453-I507 HydrophobicContact CD1-CG1 4.11Å; I453-I507 HydrophobicContact CG2-CD1 4.4Å; I453-L518 HydrophobicContact CD1-CD2 4.47Å
454G92.6Very high84Confident0 Ų052.7 Ų52.70%027%0.265CS..EExtended strand (participates in β ladder)trans71.4-151.8174.700000113.7R371 T464R371-G454 WeakPolarHBondContact CD-O 3.46Å; R371-G454 PolarHBondContact NH1-O 3.34Å; R371-G454 VanDerWaalsContact NH1-O 3.09Å; G454-T464 PolarHBondContact O-OG1 3.41Å; G454-T464 VanDerWaalsContact O-OG1 3.08Å
455G91Very high86.4Confident0 Ų050.1 Ų50.10%025%0.249CC..EExtended strand (participates in β ladder)trans77-177.2-172.300000113.8L372 G463 T464 R492L372-G455 CarbonylContact O-C 3.6Å; L372-G455 WeakPolarHBondContact O-CA 3.39Å; G455-G463 WeakPolarHBondContact O-CA 3.35Å; G455-T464 WeakPolarHBondContact O-CG2 3.49Å; G455-T464 PolarHBondContact O-N 2.81Å; G455-T464 VanDerWaalsContact O-N 3.08Å; G455-R492 PolarHBondContact N-O 3.36Å
456I90.9Very high88.5Confident24 Ų2447.5 Ų47.512%0.12323%0.233CC..EExtended strand (participates in β ladder)trans-119.8157.2-179.663.4173.6000110.6F347 R371 L372 P461 R492F347-I456 WeakPolarHBondContact CE1-O 3.2Å; F347-I456 HydrophobicContact CZ-CG1 4.45Å; R371-I456 VanDerWaalsContact CA-O 3.26Å; R371-I456 WeakPolarHBondContact CA-O 3.05Å; L372-I456 HydrophobicContact CB-CD1 4.38Å; L372-I456 HydrophobicContact CB-CG1 3.9Å; L372-I456 PolarHBondContact N-O 2.57Å; L372-I456 PolarHBondContact O-N 3.31Å; I456-P461 WeakPolarHBondContact CG2-O 3.49Å; I456-R492 HydrophobicContact CG2-CB 4.27Å; I456-R492 HydrophobicContact CG2-CG 3.82Å
457T91.6Very high90.3Very high3 Ų342.1 Ų42.12%0.01821%0.21CC..  trans-129.4170.5173.5660000109.4N369 R371 S459 Q460 T464N369-T457 WeakPolarHBondContact OD1-CG2 3.22Å; R371-T457 HydrophobicContact CG-CG2 3.99Å; T457-S459 PolarHBondContact O-N 2.72Å; T457-S459 PolarHBondContact OG1-N 3.26Å; T457-S459 PolarHBondContact OG1-OG 2.74Å; T457-Q460 PolarHBondContact N-O 3.19Å; T457-Q460 CarbonylContact O-C 3.48Å; T457-Q460 VanDerWaalsContact O-C 3.28Å; T457-Q460 PolarHBondContact O-N 3.01Å; T457-Q460 WeakPolarHBondContact OG1-CB 3.29Å; T457-Q460 PolarHBondContact OG1-N 2.89Å; T457-T464 HydrophobicContact CG2-CG2 3.71Å
458E88Confident91.3Very high157 Ų15739.2 Ų39.273%0.73420%0.198SC*.SBendtrans-56.9-36.2173.6-67.1-178.3-179.900112.5F347F347-E458 HydrophobicContact CD2-CG 3.36Å; F347-E458 HydrophobicContact CE2-CB 4.39Å; F347-E458 HydrophobicContact CE2-CG 3.43Å; F347-E458 VanDerWaalsContact CE2-CG 3.43Å; F347-E458 HydrophobicContact CG-CG 4.21Å; F347-E458 HydrophobicContact CZ-CG 4.3Å
459S89.8Confident91.6Very high98 Ų9835 Ų3569%0.68518%0.183SC*.SBendtrans-86.5-20.7-179.858.70000113.9T457T457-S459 PolarHBondContact O-N 2.72Å; T457-S459 PolarHBondContact OG1-N 3.26Å; T457-S459 PolarHBondContact OG1-OG 2.74Å
460Q89.7Confident91.7Very high37 Ų3735.5 Ų35.517%0.17318%0.184CC..  trans-129.272.8-178.8-58.8-174.6-6600110.7T457 H462 G463 T464T457-Q460 PolarHBondContact N-O 3.19Å; T457-Q460 CarbonylContact O-C 3.48Å; T457-Q460 VanDerWaalsContact O-C 3.28Å; T457-Q460 PolarHBondContact O-N 3.01Å; T457-Q460 WeakPolarHBondContact OG1-CB 3.29Å; T457-Q460 PolarHBondContact OG1-N 2.89Å; Q460-H462 PolarHBondContact O-N 3.02Å; Q460-G463 WeakPolarHBondContact CB-O 3.45Å; Q460-G463 PolarHBondContact O-N 3.23Å; Q460-T464 HydrophobicContact CB-CG2 4.35Å
461P85Confident91.7Very high70 Ų7036.6 Ų36.646%0.45519%0.187SC..THydrogen-bonded Turntrans-69.6-14.7-175.628.3-36.3000113.8I456I456-P461 WeakPolarHBondContact CG2-O 3.49Å
462H85.4Confident91.6Very high154 Ų15437.9 Ų37.971%0.71319%0.194SC*.THydrogen-bonded Turntrans-96.7-3.8-179.7-59.3-55.7000113.9Q460Q460-H462 PolarHBondContact O-N 3.02Å
463G90.8Very high91.4Very high0 Ų043.3 Ų43.30%021%0.213CC..  trans129.3157.3-178.600000112.5G455 Q460 Q490 V491G455-G463 WeakPolarHBondContact O-CA 3.35Å; Q460-G463 WeakPolarHBondContact CB-O 3.45Å; Q460-G463 PolarHBondContact O-N 3.23Å; G463-Q490 WeakPolarHBondContact O-CG 3.35Å; G463-V491 WeakPolarHBondContact CA-O 3.3Å
464T93.3Very high91.1Very high1 Ų148.5 Ų48.51%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-104.9149.1179.264.90000111.1R371 G454 G455 T457 Q460 V491R371-T464 PolarHBondContact NH1-OG1 3.03Å; R371-T464 VanDerWaalsContact NH1-OG1 3.17Å; G454-T464 PolarHBondContact O-OG1 3.41Å; G454-T464 VanDerWaalsContact O-OG1 3.08Å; G455-T464 WeakPolarHBondContact O-CG2 3.49Å; G455-T464 PolarHBondContact O-N 2.81Å; G455-T464 VanDerWaalsContact O-N 3.08Å; T457-T464 HydrophobicContact CG2-CG2 3.71Å; Q460-T464 HydrophobicContact CB-CG2 4.35Å; T464-V491 PolarHBondContact N-O 2.78Å; T464-V491 VanDerWaalsContact O-CG2 3.26Å; T464-V491 WeakPolarHBondContact O-CG2 3.42Å; T464-V491 PolarHBondContact O-N 2.86Å
465D92.9Very high91Very high23 Ų2353.1 Ų53.112%0.12327%0.272CS..EExtended strand (participates in β ladder)trans-104.414.5173.563.9-25.9000112K486 L487 Q490D465-K486 CarbonylContact O-C 3.52Å; D465-K486 WeakPolarHBondContact O-CA 3.46Å; D465-K486 WeakPolarHBondContact OD2-CE 3.47Å; D465-K486 IonicContact OD2-NZ 3.72Å; D465-L487 PolarHBondContact O-N 3.5Å; D465-Q490 HydrophobicContact CB-CG 4.08Å
466Q92.7Very high91Very high58 Ų5859.3 Ų59.327%0.27130%0.296SS..EExtended strand (participates in β ladder)trans-116.7121.9-174.7-62.9-175-8.600111.2R371 Y484R371-Q466 VanDerWaalsContact CZ-O 3.26Å; R371-Q466 PolarHBondContact NH1-O 3.15Å; R371-Q466 PolarHBondContact NH2-O 3.2Å; Q466-Y484 HydrophobicContact CB-CD2 4.04Å; Q466-Y484 HydrophobicContact CB-CG 4.44Å; Q466-Y484 HydrophobicContact CG-CD2 3.7Å; Q466-Y484 HydrophobicContact CG-CE2 3.98Å; Q466-Y484 HydrophobicContact CG-CG 4.34Å
467V94.1Very high91.1Very high0 Ų060.2 Ų60.20%030%0.303CS..EExtended strand (participates in β ladder)trans-82.8113.4163.9175.30000108V451 E452 I453 F469 Y484 I485 L487 L518V451-V467 HydrophobicContact CG1-CG1 3.3Å; E452-V467 CarbonylContact O-C 3.57Å; E452-V467 WeakPolarHBondContact O-CA 3.38Å; I453-V467 HydrophobicContact CD1-CG1 4.43Å; I453-V467 HydrophobicContact CD1-CG2 4.47Å; I453-V467 HydrophobicContact CG1-CG1 3.94Å; I453-V467 HydrophobicContact CG1-CG2 4.11Å; I453-V467 HydrophobicContact CG2-CG2 4.23Å; V467-F469 HydrophobicContact CG1-CE2 4.33Å; V467-F469 HydrophobicContact CG1-CZ 4.1Å; V467-Y484 CarbonylContact O-C 3.57Å; V467-Y484 WeakPolarHBondContact O-CA 3.35Å; V467-Y484 VanDerWaalsContact O-CB 3.23Å; V467-Y484 WeakPolarHBondContact O-CB 3.4Å; V467-I485 HydrophobicContact CB-CB 4.09Å; V467-I485 PolarHBondContact N-O 2.81Å; V467-I485 PolarHBondContact O-N 2.81Å; V467-L487 HydrophobicContact CG2-CD1 4.02Å; V467-L487 HydrophobicContact CG2-CD2 3.87Å; V467-L487 HydrophobicContact CG2-CG 3.88Å; V467-L518 HydrophobicContact CG1-CD2 4.44Å; V467-L518 HydrophobicContact CG2-CD2 4.22Å
468A93.7Very high91.2Very high11 Ų1160.7 Ų60.79%0.09131%0.306CS..EExtended strand (participates in β ladder)trans-94153.3-178.500000111.7V451 E452 Y470V451-A468 WeakPolarHBondContact CA-O 3.46Å; E452-A468 HydrophobicContact CB-CB 4.37Å; E452-A468 PolarHBondContact N-O 3.48Å; E452-A468 PolarHBondContact O-N 3.39Å; A468-Y470 HydrophobicContact CB-CE2 4.14Å
469F93.7Very high91.4Very high25 Ų2556.4 Ų56.411%0.1129%0.285CS..EExtended strand (participates in β ladder)trans-122.3140.4-179.9-59.5-91.2000111V449 F450 V451 V467 T481 D483 I485 L520V449-F469 HydrophobicContact CG1-CB 4.21Å; V449-F469 HydrophobicContact CG1-CD1 3.87Å; F450-F469 WeakPolarHBondContact O-CA 3.38Å; V451-F469 HydrophobicContact CG1-CD1 4.48Å; V451-F469 HydrophobicContact CG1-CE1 4.15Å; V451-F469 HydrophobicContact CG2-CD1 3.84Å; V451-F469 HydrophobicContact CG2-CE1 3.86Å; V467-F469 HydrophobicContact CG1-CE2 4.33Å; V467-F469 HydrophobicContact CG1-CZ 4.1Å; F469-T481 HydrophobicContact CB-CG2 4.38Å; F469-T481 WeakPolarHBondContact CB-OG1 3.34Å; F469-T481 PolarHBondContact O-N 3.44Å; F469-T481 PolarHBondContact O-OG1 3.5Å; F469-T481 VanDerWaalsContact O-OG1 3.13Å; F469-D483 HydrophobicContact CD2-CB 4.41Å; F469-D483 WeakPolarHBondContact CD2-O 3.12Å; F469-I485 HydrophobicContact CE2-CD1 4.35Å; F469-I485 HydrophobicContact CE2-CG1 3.95Å; F469-I485 HydrophobicContact CZ-CD1 3.74Å; F469-I485 HydrophobicContact CZ-CG1 3.86Å; F469-L520 HydrophobicContact CE1-CD1 4.44Å; F469-L520 HydrophobicContact CE1-CD2 3.94Å; F469-L520 HydrophobicContact CZ-CD2 4.02Å
470Y94.4Very high91.4Very high16 Ų1654.2 Ų54.26%0.06327%0.269CS..EExtended strand (participates in β ladder)trans-130.7134.8173.4-51.9-103.7000109.2I351 T367 V449 F450 E452 A468 V478 F479 C480I351-Y470 HydrophobicContact CD1-CD1 4.01Å; I351-Y470 HydrophobicContact CD1-CE1 4.12Å; T367-Y470 PolarHBondContact OG1-OH 2.91Å; V449-Y470 CarbonylContact C-O 3.49Å; V449-Y470 WeakPolarHBondContact CA-O 3.41Å; F450-Y470 HydrophobicContact CB-CD2 4.43Å; F450-Y470 PolarHBondContact N-O 3.03Å; F450-Y470 PolarHBondContact O-N 2.76Å; E452-Y470 HydrophobicContact CB-CE2 3.82Å; E452-Y470 VanDerWaalsContact OE2-CE2 3.27Å; E452-Y470 WeakPolarHBondContact OE2-CE2 3.44Å; E452-Y470 PolarHBondContact OE2-OH 3.12Å; A468-Y470 HydrophobicContact CB-CE2 4.14Å; Y470-V478 HydrophobicContact CD1-CG1 4.31Å; Y470-V478 HydrophobicContact CG-CG1 4.37Å; Y470-F479 WeakPolarHBondContact CA-O 3.49Å; Y470-C480 VanDerWaalsContact CD1-CA 3.48Å; Y470-C480 HydrophobicContact CD1-CB 3.78Å; Y470-C480 HydrophobicContact CE1-CB 3.71Å
471R92.8Very high91.4Very high78 Ų7853.2 Ų53.229%0.29427%0.265SS..EExtended strand (participates in β ladder)trans-98.7130.2179.8-76.6169.5179.3-1297.1110.2E447 V449 V478 F479 T481E447-R471 VanDerWaalsContact CD-NH1 3.28Å; E447-R471 VanDerWaalsContact OE1-CD 3.24Å; E447-R471 WeakPolarHBondContact OE1-CD 3.48Å; E447-R471 IonicContact OE1-CZ 3.12Å; E447-R471 IonicContact OE1-NE 3.87Å; E447-R471 IonicContact OE1-NH1 3.16Å; E447-R471 PolarHBondContact OE1-NH1 3.04Å; E447-R471 IonicContact OE2-NH1 3.63Å; E447-R471 PolarHBondContact OE2-NH1 3.18Å; E447-R471 VanDerWaalsContact OE2-NH1 3.16Å; V449-R471 HydrophobicContact CG2-CG 4.38Å; R471-V478 WeakPolarHBondContact O-CA 3.27Å; R471-F479 HydrophobicContact CB-CD1 3.99Å; R471-F479 HydrophobicContact CB-CD2 4.44Å; R471-F479 HydrophobicContact CB-CE1 3.37Å; R471-F479 HydrophobicContact CB-CE2 3.89Å; R471-F479 HydrophobicContact CB-CZ 3.34Å; R471-F479 HydrophobicContact CG-CE1 4.46Å; R471-F479 HydrophobicContact CG-CE2 4.34Å; R471-F479 HydrophobicContact CG-CZ 3.98Å; R471-F479 PolarHBondContact N-O 3.14Å; R471-F479 WeakPolarHBondContact O-CD1 3.49Å; R471-F479 PolarHBondContact O-N 2.8Å; R471-F479 VanDerWaalsContact O-N 3.14Å; R471-T481 HydrophobicContact CB-CG2 4.43Å; R471-T481 HydrophobicContact CG-CG2 3.75Å
472L92.4Very high91.4Very high27 Ų2754.6 Ų54.614%0.14128%0.283CS..EExtended strand (participates in β ladder)trans-93.3117174.8-18067.4000109.4R448 F450 V478R448-L472 HydrophobicContact CB-CB 3.97Å; R448-L472 HydrophobicContact CB-CD2 3.99Å; R448-L472 HydrophobicContact CB-CG 4.49Å; R448-L472 WeakPolarHBondContact O-CB 3.42Å; R448-L472 PolarHBondContact O-N 2.94Å; F450-L472 HydrophobicContact CE2-CB 3.98Å; F450-L472 HydrophobicContact CE2-CD1 4.19Å; F450-L472 HydrophobicContact CE2-CD2 4.34Å; F450-L472 HydrophobicContact CE2-CG 4.41Å; F450-L472 HydrophobicContact CZ-CD2 4.39Å; L472-V478 HydrophobicContact CD1-CG2 3.78Å
473R90.6Very high91.6Very high127 Ų12752 Ų5248%0.47927%0.274SS..PPolyproline II helixtrans-78.3162.4177.1-69.1-169.5-174.8158.9-0.5111.9D475 Y476 T477 F479R473-D475 WeakPolarHBondContact CB-OD1 3.45Å; R473-D475 PolarHBondContact O-N 3.04Å; R473-Y476 WeakPolarHBondContact O-CA 3.37Å; R473-Y476 PolarHBondContact O-N 3.18Å; R473-T477 WeakPolarHBondContact CD-OG1 3.5Å; R473-T477 PolarHBondContact N-O 2.98Å; R473-F479 HydrophobicContact CG-CD1 3.97Å; R473-F479 HydrophobicContact CG-CE1 3.77Å
474P88.2Confident91.6Very high110 Ų11057.6 Ų57.671%0.71430%0.296SS*.THydrogen-bonded Turntrans-60.1-24.4176.1-25.935.5000115Y476P474-Y476 PolarHBondContact O-N 3.31Å
475D90.2Very high91.6Very high97 Ų9758.2 Ų58.252%0.51930%0.299SS..THydrogen-bonded Turntrans-83.55.4173.265.9-2.8000113.1R473 T477R473-D475 WeakPolarHBondContact CB-OD1 3.45Å; R473-D475 PolarHBondContact O-N 3.04Å; D475-T477 PolarHBondContact O-N 3.27Å; D475-T477 WeakPolarHBondContact OD1-CB 3.38Å; D475-T477 PolarHBondContact OD1-N 3.08Å; D475-T477 PolarHBondContact OD1-OG1 2.79Å; D475-T477 PolarHBondContact OD2-OG1 2.88Å
476Y90.8Very high91.5Very high130 Ų13064 Ų6451%0.5132%0.323SS..SBendtrans6615.7-176.6-50.4-80.7000115.5R353 V364 R473 P474R353-Y476 VanDerWaalsContact NH1-CD2 3.27Å; R353-Y476 VanDerWaalsContact NH1-CG 3.35Å; V364-Y476 WeakPolarHBondContact CB-O 3.43Å; R473-Y476 WeakPolarHBondContact O-CA 3.37Å; R473-Y476 PolarHBondContact O-N 3.18Å; P474-Y476 PolarHBondContact O-N 3.31Å
477T93.6Very high91.5Very high43 Ų4361.5 Ų61.526%0.26431%0.311SS..  trans-74.2145.7166.260.30000110.4V364 R473 D475V364-T477 CarbonylContact O-C 3.59Å; V364-T477 WeakPolarHBondContact O-CA 3.08Å; R473-T477 WeakPolarHBondContact CD-OG1 3.5Å; R473-T477 PolarHBondContact N-O 2.98Å; D475-T477 PolarHBondContact O-N 3.27Å; D475-T477 WeakPolarHBondContact OD1-CB 3.38Å; D475-T477 PolarHBondContact OD1-N 3.08Å; D475-T477 PolarHBondContact OD1-OG1 2.79Å; D475-T477 PolarHBondContact OD2-OG1 2.88Å
478V93.7Very high91.2Very high13 Ų1366.7 Ų66.78%0.07935%0.345CS..EExtended strand (participates in β ladder)trans-115.5130.6-178.1-1780000108.1I351 V364 G365 F450 Y470 R471 L472I351-V478 HydrophobicContact CD1-CB 4.32Å; I351-V478 HydrophobicContact CD1-CG1 3.82Å; I351-V478 HydrophobicContact CG2-CB 4.26Å; I351-V478 HydrophobicContact CG2-CG1 4.42Å; I351-V478 HydrophobicContact CG2-CG2 4.32Å; V364-V478 HydrophobicContact CG2-CB 4.46Å; V364-V478 HydrophobicContact CG2-CG2 3.96Å; V364-V478 PolarHBondContact O-N 3.17Å; G365-V478 WeakPolarHBondContact CA-O 3.37Å; F450-V478 HydrophobicContact CD2-CG1 4.32Å; F450-V478 HydrophobicContact CE2-CG2 3.98Å; Y470-V478 HydrophobicContact CD1-CG1 4.31Å; Y470-V478 HydrophobicContact CG-CG1 4.37Å; R471-V478 WeakPolarHBondContact O-CA 3.27Å; L472-V478 HydrophobicContact CD1-CG2 3.78Å
479F91.2Very high91Very high67 Ų6770.9 Ų70.929%0.29436%0.363SS..EExtended strand (participates in β ladder)trans-126.2136.4172.266.7-84.4000110.6Y470 R471 R473 T481Y470-F479 WeakPolarHBondContact CA-O 3.49Å; R471-F479 HydrophobicContact CB-CD1 3.99Å; R471-F479 HydrophobicContact CB-CD2 4.44Å; R471-F479 HydrophobicContact CB-CE1 3.37Å; R471-F479 HydrophobicContact CB-CE2 3.89Å; R471-F479 HydrophobicContact CB-CZ 3.34Å; R471-F479 HydrophobicContact CG-CE1 4.46Å; R471-F479 HydrophobicContact CG-CE2 4.34Å; R471-F479 HydrophobicContact CG-CZ 3.98Å; R471-F479 PolarHBondContact N-O 3.14Å; R471-F479 WeakPolarHBondContact O-CD1 3.49Å; R471-F479 PolarHBondContact O-N 2.8Å; R471-F479 VanDerWaalsContact O-N 3.14Å; R473-F479 HydrophobicContact CG-CD1 3.97Å; R473-F479 HydrophobicContact CG-CE1 3.77Å; F479-T481 HydrophobicContact CE2-CG2 4.38Å; F479-T481 PolarHBondContact O-N 2.87Å
480C90.2Very high90.9Very high51 Ų5174.6 Ų74.635%0.34538%0.381SS..EExtended strand (participates in β ladder)trans-65.1130.3171.6-1670000109Y470Y470-C480 VanDerWaalsContact CD1-CA 3.48Å; Y470-C480 HydrophobicContact CD1-CB 3.78Å; Y470-C480 HydrophobicContact CE1-CB 3.71Å
481T88.8Confident90.7Very high17 Ų1774.3 Ų74.310%0.10438%0.381CS..EExtended strand (participates in β ladder)trans-83.5157.4166.778.20000108.7F469 R471 F479 D483F469-T481 HydrophobicContact CB-CG2 4.38Å; F469-T481 WeakPolarHBondContact CB-OG1 3.34Å; F469-T481 PolarHBondContact O-N 3.44Å; F469-T481 PolarHBondContact O-OG1 3.5Å; F469-T481 VanDerWaalsContact O-OG1 3.13Å; R471-T481 HydrophobicContact CB-CG2 4.43Å; R471-T481 HydrophobicContact CG-CG2 3.75Å; F479-T481 HydrophobicContact CE2-CG2 4.38Å; F479-T481 PolarHBondContact O-N 2.87Å; T481-D483 PolarHBondContact OG1-N 3.41Å
482A87Confident90.5Very high99 Ų9973.9 Ų73.982%0.81838%0.379SS*.EExtended strand (participates in β ladder)trans-80.2-4.917000000112
483D87.8Confident90.2Very high99 Ų9973.9 Ų73.953%0.52938%0.377SS..EExtended strand (participates in β ladder)trans-77.9144.8-177.7-55.2-45000110F469 T481F469-D483 HydrophobicContact CD2-CB 4.41Å; F469-D483 WeakPolarHBondContact CD2-O 3.12Å; T481-D483 PolarHBondContact OG1-N 3.41Å
484Y92Very high90.3Very high118 Ų11868 Ų6846%0.46336%0.355SS..EExtended strand (participates in β ladder)trans-152.6155.3172.368.8-84.2000111Q466 V467 K486Q466-Y484 HydrophobicContact CB-CD2 4.04Å; Q466-Y484 HydrophobicContact CB-CG 4.44Å; Q466-Y484 HydrophobicContact CG-CD2 3.7Å; Q466-Y484 HydrophobicContact CG-CE2 3.98Å; Q466-Y484 HydrophobicContact CG-CG 4.34Å; V467-Y484 CarbonylContact O-C 3.57Å; V467-Y484 WeakPolarHBondContact O-CA 3.35Å; V467-Y484 VanDerWaalsContact O-CB 3.23Å; V467-Y484 WeakPolarHBondContact O-CB 3.4Å; Y484-K486 HydrophobicContact CD2-CB 4.48Å; Y484-K486 HydrophobicContact CE2-CB 4.07Å
485I92.4Very high90.4Very high13 Ų1363.3 Ų63.37%0.06732%0.324CS..EExtended strand (participates in β ladder)trans-100.2128.6165.9-65.3173000107.9V467 F469 L518 L520 H523V467-I485 HydrophobicContact CB-CB 4.09Å; V467-I485 PolarHBondContact N-O 2.81Å; V467-I485 PolarHBondContact O-N 2.81Å; F469-I485 HydrophobicContact CE2-CD1 4.35Å; F469-I485 HydrophobicContact CE2-CG1 3.95Å; F469-I485 HydrophobicContact CZ-CD1 3.74Å; F469-I485 HydrophobicContact CZ-CG1 3.86Å; I485-L518 HydrophobicContact CD1-CD1 4.29Å; I485-L518 HydrophobicContact CD1-CD2 4.49Å; I485-L518 HydrophobicContact CG2-CD1 4.42Å; I485-L520 HydrophobicContact CD1-CD2 3.85Å; I485-H523 HydrophobicContact CD1-CB 4.35Å
486K92.4Very high90.6Very high144 Ų14459 Ų5963%0.62630%0.301SS*.EExtended strand (participates in β ladder)trans-83.1120.8174.8-164.6177.1-174.4179.80110.4D465 Y484D465-K486 CarbonylContact O-C 3.52Å; D465-K486 WeakPolarHBondContact O-CA 3.46Å; D465-K486 WeakPolarHBondContact OD2-CE 3.47Å; D465-K486 IonicContact OD2-NZ 3.72Å; Y484-K486 HydrophobicContact CD2-CB 4.48Å; Y484-K486 HydrophobicContact CE2-CB 4.07Å
487L91.6Very high90.7Very high6 Ų653.8 Ų53.83%0.03128%0.284CS..EExtended strand (participates in β ladder)trans-77154.1171.2-64178.3000110.5I453 D465 V467 Q489 V491 W509 L525I453-L487 HydrophobicContact CG2-CD1 4.31Å; D465-L487 PolarHBondContact O-N 3.5Å; V467-L487 HydrophobicContact CG2-CD1 4.02Å; V467-L487 HydrophobicContact CG2-CD2 3.87Å; V467-L487 HydrophobicContact CG2-CG 3.88Å; L487-Q489 PolarHBondContact O-N 2.92Å; L487-V491 HydrophobicContact CD1-CG2 3.56Å; L487-W509 HydrophobicContact CD1-CH2 4.44Å; L487-W509 HydrophobicContact CD2-CH2 4.47Å; L487-L525 HydrophobicContact CD2-CD2 4.48Å
488P88Confident90.5Very high110 Ų11052.9 Ų52.971%0.71428%0.281SS*.EExtended strand (participates in β ladder)trans-66.8-18.6-179.226.2-35000113.7L525P488-L525 HydrophobicContact CG-CD2 4.21Å
489Q89.8Confident90.2Very high99 Ų9954.2 Ų54.246%0.46329%0.286SS..EExtended strand (participates in β ladder)trans-146.1156.6-179.466.2-173.21500110.8L487 V491 W509L487-Q489 PolarHBondContact O-N 2.92Å; Q489-V491 HydrophobicContact CG-CG1 4.21Å; Q489-W509 HydrophobicContact CG-CZ3 4.46Å
490Q90.8Very high89.6Confident102 Ų10257.2 Ų57.248%0.47730%0.301SS..EExtended strand (participates in β ladder)trans-67.2136.7169.8-74.9179.1-10.300110.1G463 D465G463-Q490 WeakPolarHBondContact O-CG 3.35Å; D465-Q490 HydrophobicContact CB-CG 4.08Å
491V89.6Confident88.9Confident10 Ų1061.9 Ų61.96%0.06132%0.322CS..EExtended strand (participates in β ladder)trans-133.4134179.9-80.20000113.1G463 T464 L487 Q489 V494 W509G463-V491 WeakPolarHBondContact CA-O 3.3Å; T464-V491 PolarHBondContact N-O 2.78Å; T464-V491 VanDerWaalsContact O-CG2 3.26Å; T464-V491 WeakPolarHBondContact O-CG2 3.42Å; T464-V491 PolarHBondContact O-N 2.86Å; L487-V491 HydrophobicContact CD1-CG2 3.56Å; Q489-V491 HydrophobicContact CG-CG1 4.21Å; V491-V494 HydrophobicContact CB-CG1 3.8Å; V491-V494 HydrophobicContact CG1-CG1 4.09Å; V491-V494 HydrophobicContact CG2-CG1 4.07Å; V491-W509 HydrophobicContact CB-CZ3 4.4Å; V491-W509 HydrophobicContact CG1-CE3 3.59Å; V491-W509 HydrophobicContact CG1-CZ3 3.29Å; V491-W509 HydrophobicContact CG2-CZ3 4.45Å
492R88.8Confident88.7Confident69 Ų6963.2 Ų63.226%0.2633%0.331SS..SBendtrans-105.1-56.1172.1175.9173.3-179.1-173.7-1.5110.8E373 G455 I456E373-R492 IonicContact OE1-CZ 3.98Å; E373-R492 IonicContact OE1-NE 3.8Å; E373-R492 IonicContact OE1-NH2 3.02Å; E373-R492 PolarHBondContact OE1-NH2 2.85Å; E373-R492 WeakPolarHBondContact OE2-CG 3.29Å; E373-R492 IonicContact OE2-CZ 3.94Å; E373-R492 IonicContact OE2-NE 3.98Å; E373-R492 PolarHBondContact OE2-NE 2.63Å; E373-R492 IonicContact OE2-NH2 3.01Å; E373-R492 PolarHBondContact OE2-NH2 3.44Å; G455-R492 PolarHBondContact N-O 3.36Å; I456-R492 HydrophobicContact CG2-CB 4.27Å; I456-R492 HydrophobicContact CG2-CG 3.82Å
493Y87.4Confident88.7Confident28 Ų2860.4 Ų60.411%0.1130%0.302CS..SBendtrans-96.398.5-174.2-54.3-59.5000111.2E510 I544 H545 F564Y493-E510 PolarHBondContact O-N 3.28Å; Y493-I544 HydrophobicContact CD1-CG2 3.84Å; Y493-I544 HydrophobicContact CE1-CG2 4.24Å; Y493-I544 HydrophobicContact CG-CG2 4.02Å; Y493-H545 AromaticContact CD1-CE1 3.99Å; Y493-F564 HydrophobicContact CD2-CE1 4.17Å; Y493-F564 AromaticContact CD2-CZ 3.91Å; Y493-F564 HydrophobicContact CD2-CZ 3.91Å; Y493-F564 AromaticContact CE2-CE1 3.68Å; Y493-F564 HydrophobicContact CE2-CE1 3.68Å; Y493-F564 AromaticContact CE2-CZ 3.86Å; Y493-F564 HydrophobicContact CE2-CZ 3.86Å
494V91.2Very high89Confident2 Ų258.1 Ų58.11%0.01229%0.289CS..EExtended strand (participates in β ladder)trans-138.4146.9174.2-61.60000108.7H375 I453 V491 I507 F508 W509H375-V494 PolarHBondContact CD2-O 2.98Å; H375-V494 PolarHBondContact NE2-O 2.88Å; I453-V494 HydrophobicContact CG2-CG2 4.08Å; V491-V494 HydrophobicContact CB-CG1 3.8Å; V491-V494 HydrophobicContact CG1-CG1 4.09Å; V491-V494 HydrophobicContact CG2-CG1 4.07Å; V494-I507 HydrophobicContact CB-CG2 4.37Å; V494-I507 HydrophobicContact CG1-CG2 4.41Å; V494-F508 WeakPolarHBondContact CA-O 3.47Å; V494-W509 HydrophobicContact CG1-CE3 4.27Å
495N92.1Very high89.1Confident13 Ų1352.5 Ų52.57%0.0727%0.267CS..EExtended strand (participates in β ladder)trans-121.6145.4162.8-161.1-21.2000108.2H375 F508 A546 L548H375-N495 VanDerWaalsContact CE1-CG 3.43Å; H375-N495 PolarHBondContact CE1-OD1 3.27Å; H375-N495 PolarHBondContact ND1-OD1 3.2Å; N495-F508 PolarHBondContact N-O 3.43Å; N495-F508 PolarHBondContact O-N 3.21Å; N495-A546 PolarHBondContact ND2-O 3.38Å; N495-L548 HydrophobicContact CB-CB 4.21Å; N495-L548 HydrophobicContact CB-CD2 4.11Å; N495-L548 VanDerWaalsContact CG-CB 3.42Å; N495-L548 VanDerWaalsContact ND2-CB 3.29Å; N495-L548 WeakPolarHBondContact ND2-CB 3.36Å
496C93.5Very high89.2Confident5 Ų552.7 Ų52.73%0.03427%0.267CS..EExtended strand (participates in β ladder)trans-144.6153.5-178.763.30000112.9H375 V377 I453 V505 Y506 I507H375-C496 VanDerWaalsContact CB-SG 3.57Å; V377-C496 HydrophobicContact CG1-CB 4.47Å; I453-C496 HydrophobicContact CD1-CB 4.38Å; C496-V505 HydrophobicContact CB-CG1 3.94Å; C496-Y506 CarbonylContact C-O 3.57Å; C496-Y506 WeakPolarHBondContact CA-O 3.48Å; C496-Y506 VanDerWaalsContact CB-O 3.26Å; C496-Y506 WeakPolarHBondContact CB-O 3.17Å; C496-I507 HydrophobicContact CB-CG1 4.28Å
497C92.3Very high89.4Confident21 Ų2145.8 Ų45.814%0.14224%0.238CC..EExtended strand (participates in β ladder)trans-141.5130176.4-81.10000109.1Y506 L548 L555C497-Y506 PolarHBondContact N-O 2.63Å; C497-Y506 PolarHBondContact O-N 3.39Å; C497-L548 HydrophobicContact CB-CD2 4.1Å; C497-L548 HydrophobicContact CB-CG 4.45Å; C497-L555 HydrophobicContact CB-CD1 4.18Å
498A90.7Very high89.5Confident24 Ų2445.6 Ų45.620%0.19824%0.236CC..EExtended strand (participates in β ladder)trans-74.3137.416900000109.6V377 I379 W550V377-A498 HydrophobicContact CB-CB 4.12Å; V377-A498 HydrophobicContact CG2-CB 4.34Å; I379-A498 HydrophobicContact CD1-CB 4.46Å; I379-A498 HydrophobicContact CG1-CB 4.01Å; A498-W550 PolarHBondContact O-NE1 3Å
499H86.9Confident89.7Confident42 Ų4240.9 Ų40.919%0.19420%0.204CC..PPolyproline II helixtrans-78134.4170.5178.9-77.3000109.3D501 T502 L504 Y506 W550H499-D501 PolarHBondContact O-N 3.48Å; H499-T502 WeakPolarHBondContact CB-OG1 3.33Å; H499-T502 WeakPolarHBondContact ND1-CG2 3.22Å; H499-T502 PolarHBondContact ND1-OG1 3.26Å; H499-T502 PolarHBondContact O-N 2.89Å; H499-T502 PolarHBondContact O-OG1 3.39Å; H499-L504 PolarHBondContact N-O 3.42Å; H499-Y506 HydrophobicContact CB-CD2 4.25Å; H499-Y506 HydrophobicContact CB-CE2 3.93Å; H499-W550 HydrophobicContact CB-CZ2 4.2Å; H499-W550 AromaticContact CD2-CH2 3.76Å; H499-W550 AromaticContact CD2-CZ2 3.87Å
500Q77.7Confident89.8Confident130 Ų13036.3 Ų36.361%0.60718%0.183SC*.THydrogen-bonded Turntrans-52.6137-174-64.8179.9-0.900111.3T502Q500-T502 WeakPolarHBondContact O-CG2 3.34Å; Q500-T502 PolarHBondContact O-N 2.59Å
501D75.6Confident89.5Confident148 Ų14834.1 Ų34.179%0.79118%0.179SC*.THydrogen-bonded Turntrans52.923.2176.6-56.3-37.1000116H499H499-D501 PolarHBondContact O-N 3.48Å
502T85.4Confident89.4Confident46 Ų4635.6 Ų35.628%0.28219%0.188SC..SBendtrans-128162.2175.468.30000111.7H499 Q500 L504H499-T502 WeakPolarHBondContact CB-OG1 3.33Å; H499-T502 WeakPolarHBondContact ND1-CG2 3.22Å; H499-T502 PolarHBondContact ND1-OG1 3.26Å; H499-T502 PolarHBondContact O-N 2.89Å; H499-T502 PolarHBondContact O-OG1 3.39Å; Q500-T502 WeakPolarHBondContact O-CG2 3.34Å; Q500-T502 PolarHBondContact O-N 2.59Å; T502-L504 PolarHBondContact O-N 3.29Å; T502-L504 PolarHBondContact OG1-N 2.94Å
503N87.4Confident89.5Confident40 Ų4032.5 Ų32.521%0.21418%0.177CC..SBendtrans-87.321.5171.9-67.3-30.4000112.8L520N503-L520 PolarHBondContact O-N 3.24Å; N503-L520 VanDerWaalsContact O-N 3.09Å
504L92.9Very high89.8Confident50 Ų5034.9 Ų34.926%0.26219%0.189SC..EExtended strand (participates in β ladder)trans-101.6124.2-176.7-59.9-177.9000110.6H499 T502 Y506 V517 L518 D519H499-L504 PolarHBondContact N-O 3.42Å; T502-L504 PolarHBondContact O-N 3.29Å; T502-L504 PolarHBondContact OG1-N 2.94Å; L504-Y506 HydrophobicContact CB-CE2 4.26Å; L504-V517 HydrophobicContact CB-CG2 3.93Å; L504-V517 HydrophobicContact CD1-CG2 4.41Å; L504-V517 HydrophobicContact CD2-CG2 4.12Å; L504-V517 HydrophobicContact CG-CG2 4.38Å; L504-L518 WeakPolarHBondContact CA-O 3.26Å; L504-D519 HydrophobicContact CD2-CB 3.83Å
505V94.5Very high90Very high0 Ų034.8 Ų34.80%019%0.189CC..EExtended strand (participates in β ladder)trans-109.8120173.5-178.20000109.2V377 I379 I453 C496 I507 V517 L518 L520V377-V505 HydrophobicContact CG2-CG1 4.09Å; V377-V505 HydrophobicContact CG2-CG2 3.98Å; I379-V505 HydrophobicContact CD1-CG2 3.53Å; I453-V505 HydrophobicContact CD1-CG1 3.82Å; C496-V505 HydrophobicContact CB-CG1 3.94Å; V505-I507 HydrophobicContact CG1-CG1 4.19Å; V505-V517 WeakPolarHBondContact O-CA 3.45Å; V505-L518 HydrophobicContact CB-CB 4.37Å; V505-L518 PolarHBondContact N-O 2.96Å; V505-L518 PolarHBondContact O-N 2.79Å; V505-L520 HydrophobicContact CG2-CD1 3.88Å; V505-L520 HydrophobicContact CG2-CG 4.24Å
506Y95.5Very high90.2Very high17 Ų1734.4 Ų34.47%0.06719%0.187CC..EExtended strand (participates in β ladder)trans-87.1124.2174.2-73.5-106.9000108.6C496 C497 H499 L504 L515 S516 V517 L528 W550 L555 Y581C496-Y506 CarbonylContact C-O 3.57Å; C496-Y506 WeakPolarHBondContact CA-O 3.48Å; C496-Y506 VanDerWaalsContact CB-O 3.26Å; C496-Y506 WeakPolarHBondContact CB-O 3.17Å; C497-Y506 PolarHBondContact N-O 2.63Å; C497-Y506 PolarHBondContact O-N 3.39Å; H499-Y506 HydrophobicContact CB-CD2 4.25Å; H499-Y506 HydrophobicContact CB-CE2 3.93Å; L504-Y506 HydrophobicContact CB-CE2 4.26Å; Y506-L515 HydrophobicContact CD1-CD2 4.38Å; Y506-S516 CarbonylContact C-O 3.57Å; Y506-S516 WeakPolarHBondContact CA-O 3.43Å; Y506-V517 HydrophobicContact CD1-CB 4.38Å; Y506-V517 HydrophobicContact CD2-CG2 4.21Å; Y506-V517 HydrophobicContact CE1-CB 4.28Å; Y506-V517 HydrophobicContact CE1-CG2 4.39Å; Y506-V517 HydrophobicContact CE2-CG2 3.99Å; Y506-L528 HydrophobicContact CD1-CD1 3.76Å; Y506-L528 HydrophobicContact CE1-CD1 3.54Å; Y506-W550 HydrophobicContact CD1-CZ2 4.28Å; Y506-W550 HydrophobicContact CD2-CH2 4.47Å; Y506-W550 AromaticContact CD2-CZ2 3.59Å; Y506-W550 HydrophobicContact CD2-CZ2 3.59Å; Y506-W550 HydrophobicContact CE1-CH2 4.48Å; Y506-W550 HydrophobicContact CE1-CZ2 4.39Å; Y506-W550 HydrophobicContact CE2-CH2 4.23Å; Y506-W550 AromaticContact CE2-CZ2 3.72Å; Y506-W550 HydrophobicContact CE2-CZ2 3.72Å; Y506-W550 AromaticContact CG-CZ2 3.87Å; Y506-W550 HydrophobicContact CG-CZ2 3.87Å; Y506-L555 HydrophobicContact CD1-CD2 4.42Å; Y506-Y581 HydrophobicContact CD1-CE1 4.4Å; Y506-Y581 AromaticContact CE1-CE1 3.95Å; Y506-Y581 HydrophobicContact CE1-CE1 3.95Å
507I95.1Very high90.3Very high0 Ų034.4 Ų34.40%019%0.187CC..EExtended strand (participates in β ladder)trans-113.6119-177.3-56.2174.9000107.6I453 V494 C496 V505 W509 S516 L518 L525I453-I507 HydrophobicContact CD1-CD1 3.91Å; I453-I507 HydrophobicContact CD1-CG1 4.11Å; I453-I507 HydrophobicContact CG2-CD1 4.4Å; V494-I507 HydrophobicContact CB-CG2 4.37Å; V494-I507 HydrophobicContact CG1-CG2 4.41Å; C496-I507 HydrophobicContact CB-CG1 4.28Å; V505-I507 HydrophobicContact CG1-CG1 4.19Å; I507-W509 HydrophobicContact CG2-CD2 4.27Å; I507-W509 HydrophobicContact CG2-CZ2 4.08Å; I507-S516 PolarHBondContact N-O 3.03Å; I507-S516 PolarHBondContact O-N 2.85Å; I507-L518 HydrophobicContact CD1-CB 3.92Å; I507-L518 HydrophobicContact CD1-CD2 4.19Å; I507-L525 HydrophobicContact CD1-CD1 4.15Å
508F94.5Very high90.4Very high1 Ų133.5 Ų33.50%0.00418%0.18CC..EExtended strand (participates in β ladder)trans-97.3116.6171.4-175.6-105.6000108.9V494 N495 E510 L515 L531 R543 L548 V557 W588V494-F508 WeakPolarHBondContact CA-O 3.47Å; N495-F508 PolarHBondContact N-O 3.43Å; N495-F508 PolarHBondContact O-N 3.21Å; F508-E510 HydrophobicContact CD1-CG 4.07Å; F508-E510 HydrophobicContact CE1-CG 4.37Å; F508-E510 PolarHBondContact O-N 2.87Å; F508-L515 HydrophobicContact CB-CD1 4.35Å; F508-L515 HydrophobicContact CD2-CD1 4.43Å; F508-L531 HydrophobicContact CE2-CB 4.38Å; F508-L531 HydrophobicContact CE2-CD2 4.36Å; F508-L531 HydrophobicContact CZ-CD2 4.31Å; F508-R543 HydrophobicContact CE1-CB 4.01Å; F508-R543 HydrophobicContact CE1-CG 4.37Å; F508-R543 HydrophobicContact CZ-CB 4.03Å; F508-R543 HydrophobicContact CZ-CG 4.46Å; F508-L548 HydrophobicContact CB-CD1 4.43Å; F508-L548 HydrophobicContact CB-CD2 4.35Å; F508-V557 HydrophobicContact CD2-CG2 4.29Å; F508-V557 HydrophobicContact CE1-CG1 4.09Å; F508-V557 HydrophobicContact CE2-CG2 4.34Å; F508-V557 HydrophobicContact CZ-CG1 4.17Å; F508-W588 HydrophobicContact CE2-CH2 4.5Å
509W92.9Very high90.5Very high12 Ų1233.7 Ų33.75%0.04518%0.178CC..EExtended strand (participates in β ladder)trans-8596.8-179-53.389.1000108.5L487 Q489 V491 V494 I507 S511 T512 S513 E514 S516 L525L487-W509 HydrophobicContact CD1-CH2 4.44Å; L487-W509 HydrophobicContact CD2-CH2 4.47Å; Q489-W509 HydrophobicContact CG-CZ3 4.46Å; V491-W509 HydrophobicContact CB-CZ3 4.4Å; V491-W509 HydrophobicContact CG1-CE3 3.59Å; V491-W509 HydrophobicContact CG1-CZ3 3.29Å; V491-W509 HydrophobicContact CG2-CZ3 4.45Å; V494-W509 HydrophobicContact CG1-CE3 4.27Å; I507-W509 HydrophobicContact CG2-CD2 4.27Å; I507-W509 HydrophobicContact CG2-CZ2 4.08Å; W509-S511 VanDerWaalsContact C-N 3.26Å; W509-S511 PolarHBondContact O-N 3.29Å; W509-T512 WeakPolarHBondContact CB-OG1 3.29Å; W509-T512 PolarHBondContact O-N 3.2Å; W509-T512 VanDerWaalsContact O-N 3.08Å; W509-S513 WeakPolarHBondContact O-CA 3.43Å; W509-S513 PolarHBondContact O-N 2.8Å; W509-E514 HydrophobicContact CB-CB 4.22Å; W509-E514 VanDerWaalsContact CD1-O 3.3Å; W509-E514 HydrophobicContact CG-CB 4.27Å; W509-E514 PolarHBondContact N-O 3.08Å; W509-S516 PolarHBondContact NE1-OG 3.06Å; W509-L525 HydrophobicContact CH2-CD2 4.16Å; W509-L525 HydrophobicContact CZ2-CD1 4.31Å; W509-L525 HydrophobicContact CZ2-CD2 3.81Å
510E90.6Very high90.6Very high3 Ų332.8 Ų32.81%0.01417%0.174CC..THydrogen-bonded Turntrans-61.2-31.9-168.4-70.3-168.4165.800113.6Y493 F508 T512 A542 R543 I544 H545Y493-E510 PolarHBondContact O-N 3.28Å; F508-E510 HydrophobicContact CD1-CG 4.07Å; F508-E510 HydrophobicContact CE1-CG 4.37Å; F508-E510 PolarHBondContact O-N 2.87Å; E510-T512 VanDerWaalsContact C-N 3.34Å; E510-T512 PolarHBondContact O-N 3.13Å; E510-A542 CarbonylContact O-C 3.58Å; E510-A542 WeakPolarHBondContact O-CA 3.36Å; E510-R543 WeakPolarHBondContact CB-O 3.47Å; E510-R543 CarbonylContact O-C 3.58Å; E510-R543 PolarHBondContact O-N 3.11Å; E510-I544 HydrophobicContact CB-CG1 4.41Å; E510-I544 WeakPolarHBondContact OE2-CA 3.4Å; E510-I544 WeakPolarHBondContact OE2-CG2 3.24Å; E510-H545 PolarHBondContact OE1-N 3.26Å; E510-H545 PolarHBondContact OE2-N 3.27Å; E510-H545 IonicContact OE2-ND1 3.24Å
511S85.7Confident91.1Very high55 Ų5532.3 Ų32.339%0.38517%0.172SC..THydrogen-bonded Turntrans-73.7-24.1179.155.90000114.1W509W509-S511 VanDerWaalsContact C-N 3.26Å; W509-S511 PolarHBondContact O-N 3.29Å
512T87.7Confident91.7Very high41 Ų4133.8 Ų33.825%0.25217%0.166SC..THydrogen-bonded Turntrans-117.1-7.4-174.957.20000113.2W509 E510 E514 N540W509-T512 WeakPolarHBondContact CB-OG1 3.29Å; W509-T512 PolarHBondContact O-N 3.2Å; W509-T512 VanDerWaalsContact O-N 3.08Å; E510-T512 VanDerWaalsContact C-N 3.34Å; E510-T512 PolarHBondContact O-N 3.13Å; T512-E514 PolarHBondContact O-N 3.08Å; T512-E514 VanDerWaalsContact O-N 3.14Å; T512-E514 WeakPolarHBondContact OG1-CG 3.35Å; T512-E514 PolarHBondContact OG1-OE2 2.63Å; T512-N540 WeakPolarHBondContact O-CB 3.26Å
513S90.8Very high91.9Very high5 Ų537.5 Ų37.54%0.03518%0.18CC..THydrogen-bonded Turntrans54.622.6-170.6-69.60000113.9W509 L531 E541 R543W509-S513 WeakPolarHBondContact O-CA 3.43Å; W509-S513 PolarHBondContact O-N 2.8Å; S513-L531 PolarHBondContact O-N 3.44Å; S513-E541 WeakPolarHBondContact CB-O 3.42Å; S513-E541 PolarHBondContact OG-O 3.46Å; S513-R543 WeakPolarHBondContact OG-CB 3.47Å
514E93.3Very high92.1Very high78 Ų7838.9 Ų38.936%0.36419%0.191SC..EExtended strand (participates in β ladder)trans-78.7152.9174.1-68.4171.3143.600110.3W509 T512 P530W509-E514 HydrophobicContact CB-CB 4.22Å; W509-E514 VanDerWaalsContact CD1-O 3.3Å; W509-E514 HydrophobicContact CG-CB 4.27Å; W509-E514 PolarHBondContact N-O 3.08Å; T512-E514 PolarHBondContact O-N 3.08Å; T512-E514 VanDerWaalsContact O-N 3.14Å; T512-E514 WeakPolarHBondContact OG1-CG 3.35Å; T512-E514 PolarHBondContact OG1-OE2 2.63Å; E514-P530 HydrophobicContact CG-CB 4.42Å
515L95.5Very high92.2Very high0 Ų039.4 Ų39.40%019%0.193CC..EExtended strand (participates in β ladder)trans-117.3138.6171.6-172.769.9000109.2Y506 F508 L528 L555 Y581 W588Y506-L515 HydrophobicContact CD1-CD2 4.38Å; F508-L515 HydrophobicContact CB-CD1 4.35Å; F508-L515 HydrophobicContact CD2-CD1 4.43Å; L515-L528 HydrophobicContact CB-CB 4.19Å; L515-L528 HydrophobicContact CD2-CB 4.14Å; L515-L528 HydrophobicContact CD2-CD1 3.81Å; L515-L528 HydrophobicContact CG-CB 4.2Å; L515-L528 HydrophobicContact CG-CD1 3.95Å; L515-L528 PolarHBondContact O-N 3.09Å; L515-L555 HydrophobicContact CD1-CD2 3.86Å; L515-L555 HydrophobicContact CD2-CD2 4.35Å; L515-Y581 HydrophobicContact CD2-CD1 3.58Å; L515-Y581 HydrophobicContact CD2-CD2 3.61Å; L515-Y581 HydrophobicContact CD2-CE1 3.58Å; L515-Y581 HydrophobicContact CD2-CE2 3.61Å; L515-Y581 HydrophobicContact CD2-CG 3.6Å; L515-W588 HydrophobicContact CB-CZ2 4.14Å; L515-W588 HydrophobicContact CD2-CZ2 3.89Å; L515-W588 HydrophobicContact CG-CZ2 4.42Å
516S95.6Very high92.2Very high4 Ų446.9 Ų46.93%0.02822%0.221CC..EExtended strand (participates in β ladder)trans-137.3155.9172.5-61.30000110.6Y506 I507 W509 R526Y506-S516 CarbonylContact C-O 3.57Å; Y506-S516 WeakPolarHBondContact CA-O 3.43Å; I507-S516 PolarHBondContact N-O 3.03Å; I507-S516 PolarHBondContact O-N 2.85Å; W509-S516 PolarHBondContact NE1-OG 3.06Å; S516-R526 CarbonylContact C-O 3.58Å; S516-R526 VanDerWaalsContact CA-O 3.24Å; S516-R526 WeakPolarHBondContact CA-O 3.32Å; S516-R526 WeakPolarHBondContact CB-O 3.22Å
517V95.6Very high92.2Very high6 Ų650.7 Ų50.74%0.03625%0.251CS..EExtended strand (participates in β ladder)trans-115.2124.6171.3610000109.1L504 V505 Y506 R526 L528L504-V517 HydrophobicContact CB-CG2 3.93Å; L504-V517 HydrophobicContact CD1-CG2 4.41Å; L504-V517 HydrophobicContact CD2-CG2 4.12Å; L504-V517 HydrophobicContact CG-CG2 4.38Å; V505-V517 WeakPolarHBondContact O-CA 3.45Å; Y506-V517 HydrophobicContact CD1-CB 4.38Å; Y506-V517 HydrophobicContact CD2-CG2 4.21Å; Y506-V517 HydrophobicContact CE1-CB 4.28Å; Y506-V517 HydrophobicContact CE1-CG2 4.39Å; Y506-V517 HydrophobicContact CE2-CG2 3.99Å; V517-R526 HydrophobicContact CG1-CB 4.01Å; V517-R526 PolarHBondContact N-O 2.82Å; V517-R526 PolarHBondContact O-N 2.95Å; V517-L528 HydrophobicContact CB-CD1 3.96Å; V517-L528 HydrophobicContact CG1-CD1 4.08Å; V517-L528 HydrophobicContact CG1-CD2 4.16Å; V517-L528 HydrophobicContact CG1-CG 4.2Å
518L94.8Very high92.2Very high1 Ų151.7 Ų51.71%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-96.7116.6173.3177.764000108.5I453 V467 I485 L504 V505 I507 L520 L525I453-L518 HydrophobicContact CD1-CD2 4.47Å; V467-L518 HydrophobicContact CG1-CD2 4.44Å; V467-L518 HydrophobicContact CG2-CD2 4.22Å; I485-L518 HydrophobicContact CD1-CD1 4.29Å; I485-L518 HydrophobicContact CD1-CD2 4.49Å; I485-L518 HydrophobicContact CG2-CD1 4.42Å; L504-L518 WeakPolarHBondContact CA-O 3.26Å; V505-L518 HydrophobicContact CB-CB 4.37Å; V505-L518 PolarHBondContact N-O 2.96Å; V505-L518 PolarHBondContact O-N 2.79Å; I507-L518 HydrophobicContact CD1-CB 3.92Å; I507-L518 HydrophobicContact CD1-CD2 4.19Å; L518-L520 HydrophobicContact CD2-CD2 3.57Å; L518-L520 HydrophobicContact CG-CD2 3.82Å; L518-L525 HydrophobicContact CB-CD1 4.04Å; L518-L525 HydrophobicContact CD1-CB 4.38Å; L518-L525 HydrophobicContact CD1-CD1 4.42Å
519D93.2Very high92.2Very high29 Ų2952.8 Ų52.816%0.15527%0.265CS..EExtended strand (participates in β ladder)trans-88.6110.4168.8-176.2-34.4000108.4L504 H521 R522 H523 T524L504-D519 HydrophobicContact CD2-CB 3.83Å; D519-H521 VanDerWaalsContact C-N 3.32Å; D519-H521 PolarHBondContact OD1-N 3.01Å; D519-R522 HydrophobicContact CB-CB 4.18Å; D519-R522 PolarHBondContact OD1-N 2.91Å; D519-R522 WeakPolarHBondContact OD2-CD 3.35Å; D519-R522 WeakPolarHBondContact OD2-CG 3Å; D519-R522 IonicContact OD2-NE 2.76Å; D519-H523 VanDerWaalsContact O-CA 3.27Å; D519-H523 WeakPolarHBondContact O-CA 3.39Å; D519-H523 PolarHBondContact O-N 2.86Å; D519-T524 PolarHBondContact N-O 2.85Å; D519-T524 PolarHBondContact O-N 2.79Å
520L89.3Confident92.1Very high22 Ų2254.9 Ų54.912%0.11528%0.28CS..THydrogen-bonded Turntrans-75.7-19.2-176.6-63.7177.7000113.9I379 V451 F469 I485 N503 V505 L518 H523I379-L520 HydrophobicContact CD1-CD1 3.02Å; I379-L520 HydrophobicContact CD1-CG 4.37Å; I379-L520 HydrophobicContact CG1-CD1 4.45Å; V451-L520 HydrophobicContact CG1-CD2 4.46Å; V451-L520 HydrophobicContact CG2-CD1 3.83Å; F469-L520 HydrophobicContact CE1-CD1 4.44Å; F469-L520 HydrophobicContact CE1-CD2 3.94Å; F469-L520 HydrophobicContact CZ-CD2 4.02Å; I485-L520 HydrophobicContact CD1-CD2 3.85Å; N503-L520 PolarHBondContact O-N 3.24Å; N503-L520 VanDerWaalsContact O-N 3.09Å; V505-L520 HydrophobicContact CG2-CD1 3.88Å; V505-L520 HydrophobicContact CG2-CG 4.24Å; L518-L520 HydrophobicContact CD2-CD2 3.57Å; L518-L520 HydrophobicContact CG-CD2 3.82Å; L520-H523 PolarHBondContact O-CD2 2.91Å; L520-H523 PolarHBondContact O-NE2 2.85Å
521H86.9Confident92.1Very high121 Ų12155.2 Ų55.256%0.5628%0.282SS*.THydrogen-bonded Turntrans-82.8-41.2175.8-17678.2000110.5D519D519-H521 VanDerWaalsContact C-N 3.32Å; D519-H521 PolarHBondContact OD1-N 3.01Å
522R89.4Confident91.9Very high178 Ų17856.2 Ų56.267%0.67229%0.286SS*.THydrogen-bonded Turntrans-85.5-12.6179.9-60.7-176.6-177.5-84.5-5.2113.5D519 T524D519-R522 HydrophobicContact CB-CB 4.18Å; D519-R522 PolarHBondContact OD1-N 2.91Å; D519-R522 WeakPolarHBondContact OD2-CD 3.35Å; D519-R522 WeakPolarHBondContact OD2-CG 3Å; D519-R522 IonicContact OD2-NE 2.76Å; R522-T524 HydrophobicContact CB-CG2 3.97Å; R522-T524 PolarHBondContact O-N 2.79Å
523H88.7Confident90.9Very high124 Ų12455 Ų5557%0.57428%0.279SS*.THydrogen-bonded Turntrans55.236.9-172.5-64.5-156.4000111.6I485 D519 L520I485-H523 HydrophobicContact CD1-CB 4.35Å; D519-H523 VanDerWaalsContact O-CA 3.27Å; D519-H523 WeakPolarHBondContact O-CA 3.39Å; D519-H523 PolarHBondContact O-N 2.86Å; L520-H523 PolarHBondContact O-CD2 2.91Å; L520-H523 PolarHBondContact O-NE2 2.85Å
524T92.1Very high89.4Confident70 Ų7060.4 Ų60.443%0.42932%0.317SS..EExtended strand (participates in β ladder)trans-112.6132.4-178.556.90000110.8D519 R522D519-T524 PolarHBondContact N-O 2.85Å; D519-T524 PolarHBondContact O-N 2.79Å; R522-T524 HydrophobicContact CB-CG2 3.97Å; R522-T524 PolarHBondContact O-N 2.79Å
525L94.4Very high87.5Confident61 Ų6161.2 Ų61.232%0.31933%0.331SS..EExtended strand (participates in β ladder)trans-103.2123.8170.9-176.770.9000109L487 P488 I507 W509 L518L487-L525 HydrophobicContact CD2-CD2 4.48Å; P488-L525 HydrophobicContact CG-CD2 4.21Å; I507-L525 HydrophobicContact CD1-CD1 4.15Å; W509-L525 HydrophobicContact CH2-CD2 4.16Å; W509-L525 HydrophobicContact CZ2-CD1 4.31Å; W509-L525 HydrophobicContact CZ2-CD2 3.81Å; L518-L525 HydrophobicContact CB-CD1 4.04Å; L518-L525 HydrophobicContact CD1-CB 4.38Å; L518-L525 HydrophobicContact CD1-CD1 4.42Å
526R94.9Very high85.3Confident156 Ų15664.5 Ų64.559%0.58935%0.351SS*.EExtended strand (participates in β ladder)trans-120126.7178.7-176.1-179.973.5-147.33.7110.5S516 V517S516-R526 CarbonylContact C-O 3.58Å; S516-R526 VanDerWaalsContact CA-O 3.24Å; S516-R526 WeakPolarHBondContact CA-O 3.32Å; S516-R526 WeakPolarHBondContact CB-O 3.22Å; V517-R526 HydrophobicContact CG1-CB 4.01Å; V517-R526 PolarHBondContact N-O 2.82Å; V517-R526 PolarHBondContact O-N 2.95Å
527S95.1Very high83.1Confident98 Ų9870.5 Ų70.569%0.68539%0.393SS*.EExtended strand (participates in β ladder)trans-68.4139.9171.6-52.90000111.4
528L96.2Very high81.1Confident21 Ų2173.1 Ų73.111%0.1141%0.411CS..  trans-111.7-176.4175.8-63.7173.5000109.3Y506 L515 V517 Y581Y506-L528 HydrophobicContact CD1-CD1 3.76Å; Y506-L528 HydrophobicContact CE1-CD1 3.54Å; L515-L528 HydrophobicContact CB-CB 4.19Å; L515-L528 HydrophobicContact CD2-CB 4.14Å; L515-L528 HydrophobicContact CD2-CD1 3.81Å; L515-L528 HydrophobicContact CG-CB 4.2Å; L515-L528 HydrophobicContact CG-CD1 3.95Å; L515-L528 PolarHBondContact O-N 3.09Å; V517-L528 HydrophobicContact CB-CD1 3.96Å; V517-L528 HydrophobicContact CG1-CD1 4.08Å; V517-L528 HydrophobicContact CG1-CD2 4.16Å; V517-L528 HydrophobicContact CG1-CG 4.2Å; L528-Y581 HydrophobicContact CD1-CE1 4.3Å; L528-Y581 WeakPolarHBondContact CD1-OH 3.11Å
529A93.3Very high79.1Confident23 Ų2377 Ų7719%0.1944%0.437CS..  trans-60127.6175.500000110.3N586 W588A529-N586 WeakPolarHBondContact CB-O 3.41Å; A529-N586 WeakPolarHBondContact CB-OD1 3.3Å; A529-N586 PolarHBondContact N-OD1 2.84Å; A529-W588 PolarHBondContact O-NE1 3.03Å
530P91.3Very high77.6Confident56 Ų5679 Ų7936%0.36445%0.448SS..  trans-72155.1175.531.3-34.8000110.6E514 V532 W588E514-P530 HydrophobicContact CG-CB 4.42Å; P530-V532 HydrophobicContact CG-CG2 4.39Å; P530-V532 PolarHBondContact O-N 2.99Å; P530-W588 PolarHBondContact O-NE1 2.99Å
531L89.9Confident76.9Confident10 Ų1080.2 Ų80.25%0.05245%0.453CS..  trans-80.9111172.3173.562.8000109.2F508 S513 H579 W588F508-L531 HydrophobicContact CE2-CB 4.38Å; F508-L531 HydrophobicContact CE2-CD2 4.36Å; F508-L531 HydrophobicContact CZ-CD2 4.31Å; S513-L531 PolarHBondContact O-N 3.44Å; L531-H579 HydrophobicContact CD1-CB 3.83Å; L531-H579 VanDerWaalsContact CD1-CD2 3.44Å; L531-H579 WeakPolarHBondContact CD1-CD2 3.34Å; L531-H579 VanDerWaalsContact CD1-CG 3.48Å; L531-H579 HydrophobicContact CD2-CB 4.2Å; L531-W588 HydrophobicContact CB-CD2 4.07Å; L531-W588 HydrophobicContact CB-CG 4.4Å; L531-W588 HydrophobicContact CB-CZ2 4.13Å; L531-W588 HydrophobicContact CD1-CB 4.12Å; L531-W588 HydrophobicContact CD1-CD2 3.79Å; L531-W588 HydrophobicContact CD1-CE3 3.85Å; L531-W588 HydrophobicContact CD1-CG 3.94Å; L531-W588 HydrophobicContact CG-CD2 4.48Å
532V82.2Confident76.8Confident77 Ų7775 Ų7547%0.46743%0.43SS..  trans-102.9124.7178-178.70000109.5P530 P539P530-V532 HydrophobicContact CG-CG2 4.39Å; P530-V532 PolarHBondContact O-N 2.99Å; V532-P539 WeakPolarHBondContact CA-O 3.35Å; V532-P539 HydrophobicContact CG1-CB 4.15Å
533S66.7Low76.8Confident14 Ų1466.6 Ų66.610%0.09840%0.399CS..  trans-73.4131.2174.156.90000110.4S535 T536S533-S535 PolarHBondContact O-N 3.41Å; S533-T536 PolarHBondContact OG-OG1 2.89Å
534S58.9Low76.7Confident120 Ų12060.7 Ų60.784%0.83937%0.371SS*.THydrogen-bonded Turntrans-72.5-9.5-177.752.30000114.6
535S53.2Low76.5Confident94 Ų9458.9 Ų58.966%0.65736%0.358SS*.THydrogen-bonded Turntrans-107.2-4.8-161.448.30000116.2S533S533-S535 PolarHBondContact O-N 3.41Å
536T49.2Very low76.3Confident69 Ų6956.2 Ų56.242%0.42334%0.344SS..SBendtrans-143.4154.8-171.938.60000112.8S533 S538 E541S533-T536 PolarHBondContact OG-OG1 2.89Å; T536-S538 PolarHBondContact O-N 3.26Å; T536-E541 WeakPolarHBondContact CB-OE1 3.36Å; T536-E541 PolarHBondContact OG1-OE1 2.98Å
537S50.4Low76.1Confident131 Ų13149.1 Ų49.192%0.91632%0.32SS*.SBendtrans-71.9-3.7-175.149.90000115
538S53.5Low76Confident60 Ų6045 Ų4542%0.4229%0.29SS..SBendtrans-108.6114176.351.40000110.3T536 N540T536-S538 PolarHBondContact O-N 3.26Å; S538-N540 VanDerWaalsContact C-N 3.29Å; S538-N540 PolarHBondContact O-N 3.18Å; S538-N540 VanDerWaalsContact O-N 3.17Å
539P51.7Low75.8Confident83 Ų8344.9 Ų44.954%0.53929%0.291SS..SBendtrans-69.7-13.2-168.222-31000116.3V532V532-P539 WeakPolarHBondContact CA-O 3.35Å; V532-P539 HydrophobicContact CG1-CB 4.15Å
540N61.6Low75.6Confident71 Ų7144.8 Ų44.838%0.3829%0.286SS..  trans-134.678.4-175.5-71.3-2.3000111.2T512 S538T512-N540 WeakPolarHBondContact O-CB 3.26Å; S538-N540 VanDerWaalsContact C-N 3.29Å; S538-N540 PolarHBondContact O-N 3.18Å; S538-N540 VanDerWaalsContact O-N 3.17Å
541E76.2Confident75.6Confident48 Ų4845.2 Ų45.222%0.22429%0.287CS..  trans-71.5144.9166.9-76.8171.4-165.100110.2S513 T536 R575S513-E541 WeakPolarHBondContact CB-O 3.42Å; S513-E541 PolarHBondContact OG-O 3.46Å; T536-E541 WeakPolarHBondContact CB-OE1 3.36Å; T536-E541 PolarHBondContact OG1-OE1 2.98Å; E541-R575 IonicContact OE2-NH1 3.16Å; E541-R575 PolarHBondContact OE2-NH1 3.19Å
542A84.1Confident75.5Confident10 Ų1047.3 Ų47.38%0.08331%0.311CS..  trans-63.6154.6173.100000110.4E510 I544 F561 S562 F564E510-A542 CarbonylContact O-C 3.58Å; E510-A542 WeakPolarHBondContact O-CA 3.36Å; A542-I544 HydrophobicContact CB-CD1 3.76Å; A542-I544 HydrophobicContact CB-CG1 4.25Å; A542-F561 CarbonylContact C-O 3.51Å; A542-F561 VanDerWaalsContact O-O 3.14Å; A542-S562 VanDerWaalsContact O-CA 3.3Å; A542-S562 WeakPolarHBondContact O-CA 3.43Å; A542-F564 HydrophobicContact CB-CD2 4.4Å; A542-F564 HydrophobicContact CB-CE2 4.02Å
543R88.8Confident75.8Confident3 Ų349.6 Ų49.61%0.01132%0.317CS..  trans-142.872.5177.7-166.2166.6-167.1-158.92.3109.7F508 E510 S513 A546 V557 G559 F561 D577 H579F508-R543 HydrophobicContact CE1-CB 4.01Å; F508-R543 HydrophobicContact CE1-CG 4.37Å; F508-R543 HydrophobicContact CZ-CB 4.03Å; F508-R543 HydrophobicContact CZ-CG 4.46Å; E510-R543 WeakPolarHBondContact CB-O 3.47Å; E510-R543 CarbonylContact O-C 3.58Å; E510-R543 PolarHBondContact O-N 3.11Å; S513-R543 WeakPolarHBondContact OG-CB 3.47Å; R543-A546 HydrophobicContact CG-CB 3.97Å; R543-V557 VanDerWaalsContact NH1-CB 3.32Å; R543-V557 PolarHBondContact NH1-O 2.84Å; R543-V557 PolarHBondContact NH2-O 2.81Å; R543-V557 VanDerWaalsContact NH2-O 3.11Å; R543-G559 WeakPolarHBondContact CG-O 3.39Å; R543-G559 PolarHBondContact NE-O 3.23Å; R543-G559 VanDerWaalsContact NH2-N 3.11Å; R543-G559 PolarHBondContact NH2-O 3.32Å; R543-F561 CarbonylContact C-O 3.54Å; R543-F561 WeakPolarHBondContact CA-O 3.46Å; R543-D577 IonicContact CZ-OD1 3.63Å; R543-D577 IonicContact NE-OD1 2.74Å; R543-D577 PolarHBondContact NH2-O 2.95Å; R543-D577 IonicContact NH2-OD1 3.53Å; R543-D577 PolarHBondContact NH2-OD1 3.03Å; R543-H579 PolarHBondContact NH1-ND1 2.89Å; R543-H579 VanDerWaalsContact NH1-ND1 3.15Å
544I87.3Confident77.1Confident0 Ų052 Ų520%033%0.326CS..BIsolated β-bridgetrans-86.5140.6-170.9-50121.6000111.9Y493 E510 A542 A546 G560 F561 F564 P571Y493-I544 HydrophobicContact CD1-CG2 3.84Å; Y493-I544 HydrophobicContact CE1-CG2 4.24Å; Y493-I544 HydrophobicContact CG-CG2 4.02Å; E510-I544 HydrophobicContact CB-CG1 4.41Å; E510-I544 WeakPolarHBondContact OE2-CA 3.4Å; E510-I544 WeakPolarHBondContact OE2-CG2 3.24Å; A542-I544 HydrophobicContact CB-CD1 3.76Å; A542-I544 HydrophobicContact CB-CG1 4.25Å; I544-A546 PolarHBondContact O-N 3Å; I544-G560 CarbonylContact O-C 3.43Å; I544-G560 WeakPolarHBondContact O-CA 3.29Å; I544-F561 HydrophobicContact CB-CB 4.46Å; I544-F561 PolarHBondContact N-O 2.92Å; I544-F561 PolarHBondContact O-N 2.87Å; I544-F564 HydrophobicContact CD1-CD1 3.82Å; I544-F564 HydrophobicContact CD1-CD2 4.03Å; I544-F564 HydrophobicContact CD1-CE1 3.32Å; I544-F564 HydrophobicContact CD1-CE2 3.52Å; I544-F564 HydrophobicContact CD1-CG 4.19Å; I544-F564 HydrophobicContact CD1-CZ 3.16Å; I544-F564 HydrophobicContact CG1-CE1 3.92Å; I544-F564 HydrophobicContact CG1-CE2 4.17Å; I544-F564 HydrophobicContact CG1-CZ 3.53Å; I544-P571 HydrophobicContact CB-CB 4.03Å; I544-P571 HydrophobicContact CB-CG 3.99Å; I544-P571 HydrophobicContact CD1-CB 3.96Å; I544-P571 HydrophobicContact CD1-CG 4.11Å; I544-P571 HydrophobicContact CG1-CG 4.45Å; I544-P571 HydrophobicContact CG2-CB 4.11Å; I544-P571 HydrophobicContact CG2-CG 3.55Å
545H88.2Confident78.8Confident32 Ų3246.2 Ų46.215%0.14829%0.286CS..THydrogen-bonded Turntrans55.739.8-179.2-59.6-31.4000113.1Y493 E510 I602Y493-H545 AromaticContact CD1-CE1 3.99Å; E510-H545 PolarHBondContact OE1-N 3.26Å; E510-H545 PolarHBondContact OE2-N 3.27Å; E510-H545 IonicContact OE2-ND1 3.24Å; H545-I602 HydrophobicContact CB-CB 4.37Å; H545-I602 HydrophobicContact CB-CG1 4.02Å; H545-I602 PolarHBondContact O-N 2.77Å
546A90.2Very high80.7Confident4 Ų444.4 Ų44.43%0.03327%0.265CS..  trans-79.4151.7172.900000110.9N495 R543 I544 V557N495-A546 PolarHBondContact ND2-O 3.38Å; R543-A546 HydrophobicContact CG-CB 3.97Å; I544-A546 PolarHBondContact O-N 3Å; A546-V557 HydrophobicContact CB-CG1 3.76Å
547G90.9Very high82.8Confident8 Ų841.1 Ų41.18%0.08225%0.245CC..EExtended strand (participates in β ladder)trans-73134.1167.800000110.5V557 I558 C605G547-V557 CarbonylContact O-C 3.59Å; G547-V557 VanDerWaalsContact O-CA 3.3Å; G547-V557 WeakPolarHBondContact O-CA 3.5Å; G547-I558 PolarHBondContact N-O 2.88Å; G547-I558 PolarHBondContact O-N 2.88Å; G547-C605 VanDerWaalsContact CA-CB 3.48Å
548L92.2Very high84.7Confident12 Ų1238.2 Ų38.26%0.06322%0.219CC..EExtended strand (participates in β ladder)trans-126.3129.6175.4-17173.8000108.8N495 C497 F508 L555 Y556 V557N495-L548 HydrophobicContact CB-CB 4.21Å; N495-L548 HydrophobicContact CB-CD2 4.11Å; N495-L548 VanDerWaalsContact CG-CB 3.42Å; N495-L548 VanDerWaalsContact ND2-CB 3.29Å; N495-L548 WeakPolarHBondContact ND2-CB 3.36Å; C497-L548 HydrophobicContact CB-CD2 4.1Å; C497-L548 HydrophobicContact CB-CG 4.45Å; F508-L548 HydrophobicContact CB-CD1 4.43Å; F508-L548 HydrophobicContact CB-CD2 4.35Å; L548-L555 HydrophobicContact CD1-CD1 3.71Å; L548-L555 HydrophobicContact CD1-CD2 4.09Å; L548-L555 HydrophobicContact CD1-CG 3.85Å; L548-L555 HydrophobicContact CD2-CD1 4.43Å; L548-L555 HydrophobicContact CG-CD1 3.88Å; L548-Y556 WeakPolarHBondContact CA-O 3.41Å; L548-V557 HydrophobicContact CD1-CG2 3.57Å
549S91.7Very high86.5Confident17 Ų1735.5 Ų35.512%0.11920%0.2CC..EExtended strand (participates in β ladder)trans-156.4145.7174.7-171.50000111.8Y556 C607S549-Y556 PolarHBondContact N-O 2.81Å; S549-Y556 VanDerWaalsContact N-O 3.1Å; S549-Y556 PolarHBondContact O-N 2.86Å; S549-C607 WeakPolarHBondContact OG-CB 3.37Å
550W90.5Very high88.3Confident22 Ų2231.5 Ų31.58%0.08317%0.174CC..EExtended strand (participates in β ladder)trans-74.6139.3162.9-74.7101.3000110.4A498 H499 Y506 E553 H554 L555 P583 C607A498-W550 PolarHBondContact O-NE1 3Å; H499-W550 HydrophobicContact CB-CZ2 4.2Å; H499-W550 AromaticContact CD2-CH2 3.76Å; H499-W550 AromaticContact CD2-CZ2 3.87Å; Y506-W550 HydrophobicContact CD1-CZ2 4.28Å; Y506-W550 HydrophobicContact CD2-CH2 4.47Å; Y506-W550 AromaticContact CD2-CZ2 3.59Å; Y506-W550 HydrophobicContact CD2-CZ2 3.59Å; Y506-W550 HydrophobicContact CE1-CH2 4.48Å; Y506-W550 HydrophobicContact CE1-CZ2 4.39Å; Y506-W550 HydrophobicContact CE2-CH2 4.23Å; Y506-W550 AromaticContact CE2-CZ2 3.72Å; Y506-W550 HydrophobicContact CE2-CZ2 3.72Å; Y506-W550 AromaticContact CG-CZ2 3.87Å; Y506-W550 HydrophobicContact CG-CZ2 3.87Å; W550-E553 WeakPolarHBondContact CZ3-O 3.48Å; W550-H554 WeakPolarHBondContact CA-O 3.48Å; W550-H554 VanDerWaalsContact CE3-O 3.23Å; W550-H554 VanDerWaalsContact CZ3-C 3.49Å; W550-L555 HydrophobicContact CD2-CB 4.32Å; W550-L555 HydrophobicContact CD2-CD1 4.15Å; W550-L555 HydrophobicContact CE3-CB 4.22Å; W550-L555 HydrophobicContact CG-CD1 4.31Å; W550-L555 HydrophobicContact CH2-CB 3.97Å; W550-L555 HydrophobicContact CZ2-CB 4.1Å; W550-L555 HydrophobicContact CZ2-CD1 4.29Å; W550-L555 HydrophobicContact CZ3-CB 4.04Å; W550-P583 HydrophobicContact CH2-CB 4.4Å; W550-P583 HydrophobicContact CH2-CG 4Å; W550-P583 HydrophobicContact CZ3-CG 4.06Å; W550-C607 WeakPolarHBondContact O-CB 3.24Å
551V89.4Confident89.4Confident64 Ų6429.8 Ų29.839%0.38816%0.163SC..EExtended strand (participates in β ladder)trans-136.4109.8167.5-173.60000107.7E553 H554 Y556 C607V551-E553 PolarHBondContact O-N 2.89Å; V551-H554 PolarHBondContact N-O 2.64Å; V551-H554 PolarHBondContact O-N 2.74Å; V551-Y556 HydrophobicContact CB-CD2 3.81Å; V551-Y556 HydrophobicContact CB-CE2 3.6Å; V551-Y556 HydrophobicContact CG2-CD2 3.7Å; V551-Y556 HydrophobicContact CG2-CE2 3.97Å; V551-Y556 HydrophobicContact CG2-CG 4.41Å; V551-C607 HydrophobicContact CG2-CB 4.3Å
552G88.2Confident89.7Confident55 Ų5528.6 Ų28.657%0.56716%0.16SC*.THydrogen-bonded Turntrans57.1-131-16700000110.8H554G552-H554 VanDerWaalsContact C-N 3.3Å; G552-H554 PolarHBondContact O-N 3.17Å
553E90.1Very high89.2Confident125 Ų12533.7 Ų33.758%0.58418%0.182SC*.THydrogen-bonded Turntrans-86.210.1-178.9-57-59.7137.900114.3W550 V551 P583W550-E553 WeakPolarHBondContact CZ3-O 3.48Å; V551-E553 PolarHBondContact O-N 2.89Å; E553-P583 VanDerWaalsContact O-CD 3.22Å; E553-P583 WeakPolarHBondContact O-CD 3.38Å; E553-P583 WeakPolarHBondContact O-CG 3.33Å
554H93.6Very high88.4Confident63 Ų6336.7 Ų36.729%0.29220%0.196SC..EExtended strand (participates in β ladder)trans-125.3147.3-171.9-62.282.8000112.5W550 V551 G552 Y556 D582W550-H554 WeakPolarHBondContact CA-O 3.48Å; W550-H554 VanDerWaalsContact CE3-O 3.23Å; W550-H554 VanDerWaalsContact CZ3-C 3.49Å; V551-H554 PolarHBondContact N-O 2.64Å; V551-H554 PolarHBondContact O-N 2.74Å; G552-H554 VanDerWaalsContact C-N 3.3Å; G552-H554 PolarHBondContact O-N 3.17Å; H554-Y556 HydrophobicContact CB-CD2 4.4Å; H554-Y556 HydrophobicContact CB-CE2 3.7Å; H554-D582 IonicContact NE2-OD2 3.77Å
555L94.6Very high87.2Confident0 Ų038 Ų380%020%0.204CC..EExtended strand (participates in β ladder)trans-101127178.2-178.768.9000109.9C497 Y506 L515 L548 W550 C580 Y581C497-L555 HydrophobicContact CB-CD1 4.18Å; Y506-L555 HydrophobicContact CD1-CD2 4.42Å; L515-L555 HydrophobicContact CD1-CD2 3.86Å; L515-L555 HydrophobicContact CD2-CD2 4.35Å; L548-L555 HydrophobicContact CD1-CD1 3.71Å; L548-L555 HydrophobicContact CD1-CD2 4.09Å; L548-L555 HydrophobicContact CD1-CG 3.85Å; L548-L555 HydrophobicContact CD2-CD1 4.43Å; L548-L555 HydrophobicContact CG-CD1 3.88Å; W550-L555 HydrophobicContact CD2-CB 4.32Å; W550-L555 HydrophobicContact CD2-CD1 4.15Å; W550-L555 HydrophobicContact CE3-CB 4.22Å; W550-L555 HydrophobicContact CG-CD1 4.31Å; W550-L555 HydrophobicContact CH2-CB 3.97Å; W550-L555 HydrophobicContact CZ2-CB 4.1Å; W550-L555 HydrophobicContact CZ2-CD1 4.29Å; W550-L555 HydrophobicContact CZ3-CB 4.04Å; L555-C580 CarbonylContact O-C 3.52Å; L555-C580 WeakPolarHBondContact O-CA 3.49Å; L555-Y581 HydrophobicContact CB-CD1 4.2Å; L555-Y581 HydrophobicContact CD2-CD1 4.41Å; L555-Y581 PolarHBondContact N-O 3.47Å; L555-Y581 PolarHBondContact O-N 2.91Å
556Y93.5Very high85.7Confident56 Ų5638.7 Ų38.722%0.2222%0.22CC..EExtended strand (participates in β ladder)trans-110.7136-178.7-70.7-102.1000111.4L548 S549 V551 H554 V578 H579 C580 I591L548-Y556 WeakPolarHBondContact CA-O 3.41Å; S549-Y556 PolarHBondContact N-O 2.81Å; S549-Y556 VanDerWaalsContact N-O 3.1Å; S549-Y556 PolarHBondContact O-N 2.86Å; V551-Y556 HydrophobicContact CB-CD2 3.81Å; V551-Y556 HydrophobicContact CB-CE2 3.6Å; V551-Y556 HydrophobicContact CG2-CD2 3.7Å; V551-Y556 HydrophobicContact CG2-CE2 3.97Å; V551-Y556 HydrophobicContact CG2-CG 4.41Å; H554-Y556 HydrophobicContact CB-CD2 4.4Å; H554-Y556 HydrophobicContact CB-CE2 3.7Å; Y556-V578 HydrophobicContact CD1-CG1 4.07Å; Y556-H579 CarbonylContact C-O 3.57Å; Y556-H579 WeakPolarHBondContact CA-O 3.44Å; Y556-C580 HydrophobicContact CD1-CB 4.04Å; Y556-C580 HydrophobicContact CE1-CB 3.78Å; Y556-I591 HydrophobicContact CE1-CG1 4.17Å
557V92.8Very high83.8Confident0 Ų044 Ų440%025%0.247CC..EExtended strand (participates in β ladder)trans-117.5121.3171.6-171.70000109.4F508 R543 A546 G547 L548 H579 W588F508-V557 HydrophobicContact CD2-CG2 4.29Å; F508-V557 HydrophobicContact CE1-CG1 4.09Å; F508-V557 HydrophobicContact CE2-CG2 4.34Å; F508-V557 HydrophobicContact CZ-CG1 4.17Å; R543-V557 VanDerWaalsContact NH1-CB 3.32Å; R543-V557 PolarHBondContact NH1-O 2.84Å; R543-V557 PolarHBondContact NH2-O 2.81Å; R543-V557 VanDerWaalsContact NH2-O 3.11Å; A546-V557 HydrophobicContact CB-CG1 3.76Å; G547-V557 CarbonylContact O-C 3.59Å; G547-V557 VanDerWaalsContact O-CA 3.3Å; G547-V557 WeakPolarHBondContact O-CA 3.5Å; L548-V557 HydrophobicContact CD1-CG2 3.57Å; V557-H579 PolarHBondContact N-O 2.97Å; V557-H579 PolarHBondContact O-N 3.46Å; V557-W588 HydrophobicContact CB-CZ3 4.37Å; V557-W588 HydrophobicContact CG2-CH2 3.48Å; V557-W588 VanDerWaalsContact CG2-CH2 3.48Å; V557-W588 HydrophobicContact CG2-CZ3 3.71Å
558I90.7Very high82Confident69 Ų6947 Ų4735%0.35426%0.261SS..EExtended strand (participates in β ladder)trans-123.7125.7-168.4-61.4161.3000110.2G547 V578G547-I558 PolarHBondContact N-O 2.88Å; G547-I558 PolarHBondContact O-N 2.88Å; I558-V578 HydrophobicContact CB-CG2 4.49Å; I558-V578 HydrophobicContact CG1-CG1 3.87Å; I558-V578 HydrophobicContact CG1-CG2 4.1Å; I558-V578 HydrophobicContact CG2-CG2 4.15Å
559G89.9Confident80.6Confident3 Ų354.5 Ų54.53%0.03129%0.289CS..  trans61.9-140.9175.800000114R543 D577 R600R543-G559 WeakPolarHBondContact CG-O 3.39Å; R543-G559 PolarHBondContact NE-O 3.23Å; R543-G559 VanDerWaalsContact NH2-N 3.11Å; R543-G559 PolarHBondContact NH2-O 3.32Å; G559-D577 PolarHBondContact N-O 2.91Å; G559-D577 VanDerWaalsContact N-O 3.1Å; G559-R600 CarbonylContact C-O 3.57Å; G559-R600 VanDerWaalsContact CA-O 3.29Å; G559-R600 WeakPolarHBondContact CA-O 3.37Å
560G89.1Confident79.3Confident0 Ų058 Ų580%030%0.3CS..  trans95.2-179-173.200000112.6I544 P574 R575 R600I544-G560 CarbonylContact O-C 3.43Å; I544-G560 WeakPolarHBondContact O-CA 3.29Å; G560-P574 CarbonylContact O-C 3.56Å; G560-P574 WeakPolarHBondContact O-CA 3.46Å; G560-R575 WeakPolarHBondContact O-CB 3.48Å; G560-R575 WeakPolarHBondContact O-CG 3.19Å; G560-R575 PolarHBondContact O-N 3.14Å; G560-R600 PolarHBondContact N-O 3.21Å
561F86.3Confident78.4Confident34 Ų3458.3 Ų58.315%0.14930%0.304CS..EExtended strand (participates in β ladder)trans-104.1137.6178.7-72.3-64.6000111.2A542 R543 I544 P571 T572 G573 P574 A601 I602A542-F561 CarbonylContact C-O 3.51Å; A542-F561 VanDerWaalsContact O-O 3.14Å; R543-F561 CarbonylContact C-O 3.54Å; R543-F561 WeakPolarHBondContact CA-O 3.46Å; I544-F561 HydrophobicContact CB-CB 4.46Å; I544-F561 PolarHBondContact N-O 2.92Å; I544-F561 PolarHBondContact O-N 2.87Å; F561-P571 HydrophobicContact CB-CB 3.58Å; F561-P571 HydrophobicContact CD2-CB 3.31Å; F561-P571 HydrophobicContact CD2-CG 4.42Å; F561-P571 HydrophobicContact CE2-CB 4.06Å; F561-P571 HydrophobicContact CG-CB 3.63Å; F561-T572 CarbonylContact C-O 3.42Å; F561-T572 VanDerWaalsContact CB-O 3.28Å; F561-T572 WeakPolarHBondContact CB-O 3.26Å; F561-T572 VanDerWaalsContact CD1-C 3.48Å; F561-G573 CarbonylContact C-O 3.39Å; F561-G573 WeakPolarHBondContact CA-O 3.45Å; F561-P574 HydrophobicContact CD1-CB 4.22Å; F561-P574 HydrophobicContact CE1-CB 4.08Å; F561-A601 HydrophobicContact CD1-CB 3.83Å; F561-A601 HydrophobicContact CD2-CB 3.46Å; F561-A601 VanDerWaalsContact CD2-CB 3.46Å; F561-A601 HydrophobicContact CE1-CB 3.69Å; F561-A601 HydrophobicContact CE2-CB 3.34Å; F561-A601 HydrophobicContact CG-CB 3.74Å; F561-A601 HydrophobicContact CZ-CB 3.46Å; F561-A601 VanDerWaalsContact CZ-CB 3.46Å; F561-I602 HydrophobicContact CD2-CG1 4.44Å; F561-I602 HydrophobicContact CE2-CD1 3.73Å; F561-I602 HydrophobicContact CE2-CG1 3.48Å; F561-I602 VanDerWaalsContact CE2-CG1 3.48Å; F561-I602 HydrophobicContact CZ-CD1 4.12Å; F561-I602 HydrophobicContact CZ-CG1 4.11Å
562S82.9Confident77.7Confident23 Ų2356.9 Ų56.916%0.16130%0.296CS..EExtended strand (participates in β ladder)trans-83.8-24.6-177560000114.6A542 T572 G573A542-S562 VanDerWaalsContact O-CA 3.3Å; A542-S562 WeakPolarHBondContact O-CA 3.43Å; S562-T572 PolarHBondContact N-O 2.65Å; S562-T572 VanDerWaalsContact N-O 3.07Å; S562-G573 PolarHBondContact N-O 2.97Å; S562-G573 PolarHBondContact OG-O 3.49Å; S562-G573 VanDerWaalsContact OG-O 3.11Å
563E73Confident77.2Confident117 Ų11755.6 Ų55.655%0.54728%0.282SS..EExtended strand (participates in β ladder)trans-133.2164.1-165.7-71.4174.9-168.800112.1P571 T572E563-P571 CarbonylContact O-C 3.53Å; E563-P571 VanDerWaalsContact O-CA 3.26Å; E563-P571 WeakPolarHBondContact O-CA 3.27Å; E563-T572 WeakPolarHBondContact CB-OG1 3.34Å; E563-T572 PolarHBondContact N-O 2.87Å; E563-T572 PolarHBondContact O-N 3.42Å
564F71.3Confident76.9Confident67 Ų6752.9 Ų52.929%0.29428%0.275SS..EExtended strand (participates in β ladder)trans-116.4138.8165.1-70.6-72.8000109.2Y493 A542 I544 R569 R570 P571Y493-F564 HydrophobicContact CD2-CE1 4.17Å; Y493-F564 AromaticContact CD2-CZ 3.91Å; Y493-F564 HydrophobicContact CD2-CZ 3.91Å; Y493-F564 AromaticContact CE2-CE1 3.68Å; Y493-F564 HydrophobicContact CE2-CE1 3.68Å; Y493-F564 AromaticContact CE2-CZ 3.86Å; Y493-F564 HydrophobicContact CE2-CZ 3.86Å; A542-F564 HydrophobicContact CB-CD2 4.4Å; A542-F564 HydrophobicContact CB-CE2 4.02Å; I544-F564 HydrophobicContact CD1-CD1 3.82Å; I544-F564 HydrophobicContact CD1-CD2 4.03Å; I544-F564 HydrophobicContact CD1-CE1 3.32Å; I544-F564 HydrophobicContact CD1-CE2 3.52Å; I544-F564 HydrophobicContact CD1-CG 4.19Å; I544-F564 HydrophobicContact CD1-CZ 3.16Å; I544-F564 HydrophobicContact CG1-CE1 3.92Å; I544-F564 HydrophobicContact CG1-CE2 4.17Å; I544-F564 HydrophobicContact CG1-CZ 3.53Å; F564-R569 HydrophobicContact CB-CB 4.44Å; F564-R569 VanDerWaalsContact CD1-C 3.41Å; F564-R569 HydrophobicContact CD1-CB 3.79Å; F564-R569 WeakPolarHBondContact CD1-O 3.47Å; F564-R569 HydrophobicContact CE1-CB 4.15Å; F564-R569 WeakPolarHBondContact CE1-O 3.48Å; F564-R569 HydrophobicContact CG-CB 4.19Å; F564-R570 CarbonylContact C-O 3.17Å; F564-R570 WeakPolarHBondContact CA-O 3.47Å; F564-P571 HydrophobicContact CD1-CG 4.33Å; F564-P571 HydrophobicContact CE1-CG 4.05Å
565V62.6Low76.4Confident28 Ų2851.4 Ų51.417%0.1727%0.267CS..EExtended strand (participates in β ladder)trans-117.3142.4170.2-178.40000109.4S220 R570 T572S220-V565 WeakPolarHBondContact O-CG1 3.42Å; V565-R570 PolarHBondContact N-O 3.09Å; V565-R570 PolarHBondContact O-N 3.14Å; V565-T572 HydrophobicContact CB-CG2 4.01Å; V565-T572 HydrophobicContact CG2-CG2 3.56Å; V565-T572 WeakPolarHBondContact CG2-OG1 3.45Å
566G55.7Low75.9Confident46 Ų4655.4 Ų55.447%0.47429%0.289SS..THydrogen-bonded Turntrans77.4166174.900000115D568 R569G566-D568 PolarHBondContact O-N 2.9Å; G566-R569 PolarHBondContact O-N 3.43Å; G566-R569 VanDerWaalsContact O-N 3.08Å
567D51.1Low75.6Confident116 Ų11654 Ų5462%0.6229%0.285SS*.THydrogen-bonded Turntrans-62-28.2177.5-83.8-13000113.4K225 R569K225-D567 WeakPolarHBondContact CE-OD2 3.43Å; K225-D567 IonicContact NZ-OD2 3.92Å; K225-D567 PolarHBondContact NZ-OD2 3.21Å; D567-R569 PolarHBondContact O-N 3.36Å
568D53.6Low75.5Confident70 Ų7055 Ų5537%0.37429%0.291SS..THydrogen-bonded Turntrans-82.42.4178.168.7-19.9000113.2G566 R570G566-D568 PolarHBondContact O-N 2.9Å; D568-R570 IonicContact OD1-NE 3.88Å; D568-R570 IonicContact OD2-CZ 2.71Å; D568-R570 IonicContact OD2-NE 3.49Å; D568-R570 PolarHBondContact OD2-NE 2.88Å; D568-R570 IonicContact OD2-NH2 3.51Å; D568-R570 PolarHBondContact OD2-NH2 2.89Å
569R61.8Low75.6Confident170 Ų17052.3 Ų52.364%0.64228%0.277SS*.THydrogen-bonded Turntrans54.261.9174.4-61-173.4172.3-167.3-3.4111.9F564 G566 D567F564-R569 HydrophobicContact CB-CB 4.44Å; F564-R569 VanDerWaalsContact CD1-C 3.41Å; F564-R569 HydrophobicContact CD1-CB 3.79Å; F564-R569 WeakPolarHBondContact CD1-O 3.47Å; F564-R569 HydrophobicContact CE1-CB 4.15Å; F564-R569 WeakPolarHBondContact CE1-O 3.48Å; F564-R569 HydrophobicContact CG-CB 4.19Å; G566-R569 PolarHBondContact O-N 3.43Å; G566-R569 VanDerWaalsContact O-N 3.08Å; D567-R569 PolarHBondContact O-N 3.36Å
570R65.9Low75.8Confident91 Ų9152.5 Ų52.534%0.34328%0.277SS..EExtended strand (participates in β ladder)trans-81.3127174.7-74.3178.4-171.8-164.3-3.7111.9F564 V565 D568F564-R570 CarbonylContact C-O 3.17Å; F564-R570 WeakPolarHBondContact CA-O 3.47Å; V565-R570 PolarHBondContact N-O 3.09Å; V565-R570 PolarHBondContact O-N 3.14Å; D568-R570 IonicContact OD1-NE 3.88Å; D568-R570 IonicContact OD2-CZ 2.71Å; D568-R570 IonicContact OD2-NE 3.49Å; D568-R570 PolarHBondContact OD2-NE 2.88Å; D568-R570 IonicContact OD2-NH2 3.51Å; D568-R570 PolarHBondContact OD2-NH2 2.89Å
571P69.9Low76.1Confident28 Ų2852.5 Ų52.518%0.18228%0.278CS..EExtended strand (participates in β ladder)trans-63.6133.3175.9-23.835.6000113.2I544 F561 E563 F564I544-P571 HydrophobicContact CB-CB 4.03Å; I544-P571 HydrophobicContact CB-CG 3.99Å; I544-P571 HydrophobicContact CD1-CB 3.96Å; I544-P571 HydrophobicContact CD1-CG 4.11Å; I544-P571 HydrophobicContact CG1-CG 4.45Å; I544-P571 HydrophobicContact CG2-CB 4.11Å; I544-P571 HydrophobicContact CG2-CG 3.55Å; F561-P571 HydrophobicContact CB-CB 3.58Å; F561-P571 HydrophobicContact CD2-CB 3.31Å; F561-P571 HydrophobicContact CD2-CG 4.42Å; F561-P571 HydrophobicContact CE2-CB 4.06Å; F561-P571 HydrophobicContact CG-CB 3.63Å; E563-P571 CarbonylContact O-C 3.53Å; E563-P571 VanDerWaalsContact O-CA 3.26Å; E563-P571 WeakPolarHBondContact O-CA 3.27Å; F564-P571 HydrophobicContact CD1-CG 4.33Å; F564-P571 HydrophobicContact CE1-CG 4.05Å
572T75.3Confident76.6Confident34 Ų3452.5 Ų52.521%0.20928%0.279CS..EExtended strand (participates in β ladder)trans-139.4172.2176.262.60000111.6F561 S562 E563 V565F561-T572 CarbonylContact C-O 3.42Å; F561-T572 VanDerWaalsContact CB-O 3.28Å; F561-T572 WeakPolarHBondContact CB-O 3.26Å; F561-T572 VanDerWaalsContact CD1-C 3.48Å; S562-T572 PolarHBondContact N-O 2.65Å; S562-T572 VanDerWaalsContact N-O 3.07Å; E563-T572 WeakPolarHBondContact CB-OG1 3.34Å; E563-T572 PolarHBondContact N-O 2.87Å; E563-T572 PolarHBondContact O-N 3.42Å; V565-T572 HydrophobicContact CB-CG2 4.01Å; V565-T572 HydrophobicContact CG2-CG2 3.56Å; V565-T572 WeakPolarHBondContact CG2-OG1 3.45Å
573G77.5Confident77Confident27 Ų2753 Ų5328%0.27828%0.282SS..EExtended strand (participates in β ladder)trans71.472.6179.700000112.5F561 S562 R575F561-G573 CarbonylContact C-O 3.39Å; F561-G573 WeakPolarHBondContact CA-O 3.45Å; S562-G573 PolarHBondContact N-O 2.97Å; S562-G573 PolarHBondContact OG-O 3.49Å; S562-G573 VanDerWaalsContact OG-O 3.11Å; G573-R575 PolarHBondContact O-N 2.92Å
574P83.2Confident78Confident68 Ų6853.1 Ų53.144%0.44229%0.291SS..EExtended strand (participates in β ladder)trans-61.3141.3179.727.9-34.8000110.3G560 F561 P599G560-P574 CarbonylContact O-C 3.56Å; G560-P574 WeakPolarHBondContact O-CA 3.46Å; F561-P574 HydrophobicContact CD1-CB 4.22Å; F561-P574 HydrophobicContact CE1-CB 4.08Å; P574-P599 HydrophobicContact CB-CB 3.68Å; P574-P599 HydrophobicContact CG-CB 3.77Å; P574-P599 WeakPolarHBondContact O-CB 3.47Å
575R83.8Confident79.2Confident32 Ų3253.6 Ų53.612%0.12130%0.299CS..BIsolated β-bridgetrans-101150-179.6-57.1-178.175.391.75.6111.2E541 G560 G573 D577 P599 R600E541-R575 IonicContact OE2-NH1 3.16Å; E541-R575 PolarHBondContact OE2-NH1 3.19Å; G560-R575 WeakPolarHBondContact O-CB 3.48Å; G560-R575 WeakPolarHBondContact O-CG 3.19Å; G560-R575 PolarHBondContact O-N 3.14Å; G573-R575 PolarHBondContact O-N 2.92Å; R575-D577 WeakPolarHBondContact CB-OD1 3.36Å; R575-D577 IonicContact CZ-OD2 3.39Å; R575-D577 IonicContact NE-OD1 2.63Å; R575-D577 PolarHBondContact NE-OD1 2.82Å; R575-D577 VanDerWaalsContact NE-OD1 3.16Å; R575-D577 IonicContact NE-OD2 2.73Å; R575-D577 PolarHBondContact NE-OD2 3.13Å; R575-D577 VanDerWaalsContact NE-OD2 3.13Å; R575-D577 IonicContact NH2-OD2 3.54Å; R575-D577 PolarHBondContact NH2-OD2 2.86Å; R575-P599 CarbonylContact O-C 3.57Å; R575-P599 WeakPolarHBondContact O-CA 3.12Å; R575-R600 PolarHBondContact O-N 2.85Å
576D84.8Confident80.8Confident84 Ų8455.4 Ų55.445%0.44931%0.308SS..  trans-113.82.4179.169.1-18.1000112.8T597 P599D576-T597 WeakPolarHBondContact CB-OG1 3.41Å; D576-T597 WeakPolarHBondContact O-CB 3.4Å; D576-T597 PolarHBondContact O-OG1 2.83Å; D576-P599 HydrophobicContact CB-CB 4.39Å; D576-P599 HydrophobicContact CB-CG 4.09Å
577D86.4Confident82.6Confident28 Ų2856.8 Ų56.815%0.1531%0.307CS..  trans-89.3158.2-174.562.91.5000113.7R543 G559 R575 H579R543-D577 IonicContact CZ-OD1 3.63Å; R543-D577 IonicContact NE-OD1 2.74Å; R543-D577 PolarHBondContact NH2-O 2.95Å; R543-D577 IonicContact NH2-OD1 3.53Å; R543-D577 PolarHBondContact NH2-OD1 3.03Å; G559-D577 PolarHBondContact N-O 2.91Å; G559-D577 VanDerWaalsContact N-O 3.1Å; R575-D577 WeakPolarHBondContact CB-OD1 3.36Å; R575-D577 IonicContact CZ-OD2 3.39Å; R575-D577 IonicContact NE-OD1 2.63Å; R575-D577 PolarHBondContact NE-OD1 2.82Å; R575-D577 VanDerWaalsContact NE-OD1 3.16Å; R575-D577 IonicContact NE-OD2 2.73Å; R575-D577 PolarHBondContact NE-OD2 3.13Å; R575-D577 VanDerWaalsContact NE-OD2 3.13Å; R575-D577 IonicContact NH2-OD2 3.54Å; R575-D577 PolarHBondContact NH2-OD2 2.86Å; D577-H579 IonicContact OD2-CE1 3.81Å; D577-H579 PolarHBondContact OD2-CE1 2.74Å; D577-H579 VanDerWaalsContact OD2-CE1 3.24Å; D577-H579 IonicContact OD2-ND1 3.85Å
578V90.4Very high84.7Confident21 Ų2153.4 Ų53.413%0.12729%0.286CS..EExtended strand (participates in β ladder)trans-130.5129176.8179.80000108.7Y556 I558 I591 V593Y556-V578 HydrophobicContact CD1-CG1 4.07Å; I558-V578 HydrophobicContact CB-CG2 4.49Å; I558-V578 HydrophobicContact CG1-CG1 3.87Å; I558-V578 HydrophobicContact CG1-CG2 4.1Å; I558-V578 HydrophobicContact CG2-CG2 4.15Å; V578-I591 HydrophobicContact CB-CB 4.24Å; V578-I591 HydrophobicContact CG1-CB 4.16Å; V578-I591 HydrophobicContact CG1-CG1 4.4Å; V578-I591 PolarHBondContact O-N 3.02Å; V578-V593 HydrophobicContact CB-CG2 4.38Å; V578-V593 HydrophobicContact CG2-CG2 3.89Å
579H92.5Very high86.6Confident12 Ų1252.8 Ų52.86%0.05629%0.287CS..EExtended strand (participates in β ladder)trans-119.5140.7178.2-71.596.8000110.4L531 R543 Y556 V557 D577 W588 S589L531-H579 HydrophobicContact CD1-CB 3.83Å; L531-H579 VanDerWaalsContact CD1-CD2 3.44Å; L531-H579 WeakPolarHBondContact CD1-CD2 3.34Å; L531-H579 VanDerWaalsContact CD1-CG 3.48Å; L531-H579 HydrophobicContact CD2-CB 4.2Å; R543-H579 PolarHBondContact NH1-ND1 2.89Å; R543-H579 VanDerWaalsContact NH1-ND1 3.15Å; Y556-H579 CarbonylContact C-O 3.57Å; Y556-H579 WeakPolarHBondContact CA-O 3.44Å; V557-H579 PolarHBondContact N-O 2.97Å; V557-H579 PolarHBondContact O-N 3.46Å; D577-H579 IonicContact OD2-CE1 3.81Å; D577-H579 PolarHBondContact OD2-CE1 2.74Å; D577-H579 VanDerWaalsContact OD2-CE1 3.24Å; D577-H579 IonicContact OD2-ND1 3.85Å; H579-W588 HydrophobicContact CB-CE3 3.79Å; H579-W588 HydrophobicContact CB-CZ3 3.95Å; H579-S589 WeakPolarHBondContact CA-O 3.38Å
580C94.5Very high87.9Confident6 Ų648.5 Ų48.54%0.04128%0.282CS..EExtended strand (participates in β ladder)trans-118.1125.5179.5175.20000109.2L555 Y556 W588 S589 I591L555-C580 CarbonylContact O-C 3.52Å; L555-C580 WeakPolarHBondContact O-CA 3.49Å; Y556-C580 HydrophobicContact CD1-CB 4.04Å; Y556-C580 HydrophobicContact CE1-CB 3.78Å; C580-W588 CarbonylContact O-C 3.26Å; C580-W588 WeakPolarHBondContact O-CA 3.38Å; C580-S589 PolarHBondContact N-O 2.88Å; C580-S589 PolarHBondContact O-N 3.23Å; C580-S589 PolarHBondContact O-OG 3.37Å; C580-I591 HydrophobicContact CB-CD1 3.72Å; C580-I591 HydrophobicContact CB-CG1 3.67Å
581Y96.2Very high88.9Confident1 Ų147.2 Ų47.20%0.00428%0.282CS..EExtended strand (participates in β ladder)trans-101.9127.9174.1173.2-98.4000110.1Y506 L515 L528 L555 P583 N586 W588Y506-Y581 HydrophobicContact CD1-CE1 4.4Å; Y506-Y581 AromaticContact CE1-CE1 3.95Å; Y506-Y581 HydrophobicContact CE1-CE1 3.95Å; L515-Y581 HydrophobicContact CD2-CD1 3.58Å; L515-Y581 HydrophobicContact CD2-CD2 3.61Å; L515-Y581 HydrophobicContact CD2-CE1 3.58Å; L515-Y581 HydrophobicContact CD2-CE2 3.61Å; L515-Y581 HydrophobicContact CD2-CG 3.6Å; L528-Y581 HydrophobicContact CD1-CE1 4.3Å; L528-Y581 WeakPolarHBondContact CD1-OH 3.11Å; L555-Y581 HydrophobicContact CB-CD1 4.2Å; L555-Y581 HydrophobicContact CD2-CD1 4.41Å; L555-Y581 PolarHBondContact N-O 3.47Å; L555-Y581 PolarHBondContact O-N 2.91Å; Y581-P583 VanDerWaalsContact CE1-CA 3.49Å; Y581-P583 HydrophobicContact CE1-CB 3.85Å; Y581-N586 WeakPolarHBondContact CE2-OD1 3.42Å; Y581-N586 PolarHBondContact OH-OD1 2.87Å; Y581-W588 AromaticContact CD2-CE2 3.75Å; Y581-W588 HydrophobicContact CD2-CD2 4.1Å; Y581-W588 HydrophobicContact CG-CZ2 4.22Å; Y581-W588 HydrophobicContact CG-CH2 4.46Å; Y581-W588 HydrophobicContact CG-CD2 4.48Å; Y581-W588 HydrophobicContact CD2-CZ2 4.13Å; Y581-W588 HydrophobicContact CD2-CG 4.37Å; Y581-W588 AromaticContact CD2-NE1 3.74Å
582D95.3Very high89.1Confident34 Ų3454.9 Ų54.918%0.18231%0.312CS..EExtended strand (participates in β ladder)trans-98.9112.3173-178.6-17.1000109.3H554 T584 T585 N586 T587H554-D582 IonicContact NE2-OD2 3.77Å; D582-T584 PolarHBondContact O-N 3.29Å; D582-T584 WeakPolarHBondContact OD1-CA 3.23Å; D582-T584 WeakPolarHBondContact OD1-CB 2.9Å; D582-T584 PolarHBondContact OD1-N 2.76Å; D582-T584 PolarHBondContact OD1-OG1 3Å; D582-T584 PolarHBondContact OD2-OG1 3.48Å; D582-T585 WeakPolarHBondContact CB-OG1 3.4Å; D582-T585 PolarHBondContact OD2-OG1 3.16Å; D582-T585 PolarHBondContact OD1-N 2.86Å; D582-N586 VanDerWaalsContact O-CA 3.29Å; D582-N586 WeakPolarHBondContact O-CA 3.33Å; D582-N586 PolarHBondContact O-N 3.32Å; D582-T587 PolarHBondContact N-O 3.22Å; D582-T587 PolarHBondContact O-N 2.85Å
583P92.9Very high89Confident33 Ų3356.2 Ų56.221%0.21432%0.32CS..THydrogen-bonded Turntrans-68.6-19.7179.427.7-34.5000113.9W550 E553 Y581W550-P583 HydrophobicContact CH2-CB 4.4Å; W550-P583 HydrophobicContact CH2-CG 4Å; W550-P583 HydrophobicContact CZ3-CG 4.06Å; E553-P583 VanDerWaalsContact O-CD 3.22Å; E553-P583 WeakPolarHBondContact O-CD 3.38Å; E553-P583 WeakPolarHBondContact O-CG 3.33Å; Y581-P583 VanDerWaalsContact CE1-CA 3.49Å; Y581-P583 HydrophobicContact CE1-CB 3.85Å
584T93.6Very high88.3Confident119 Ų11962.9 Ų62.973%0.7335%0.348SS*.THydrogen-bonded Turntrans-78.5-41-179.470.50000112D582D582-T584 PolarHBondContact O-N 3.29Å; D582-T584 WeakPolarHBondContact OD1-CA 3.23Å; D582-T584 WeakPolarHBondContact OD1-CB 2.9Å; D582-T584 PolarHBondContact OD1-N 2.76Å; D582-T584 PolarHBondContact OD1-OG1 3Å; D582-T584 PolarHBondContact OD2-OG1 3.48Å
585T96Very high87.6Confident77 Ų7766 Ų6647%0.47236%0.362SS..THydrogen-bonded Turntrans-94.4-14.3178.260.10000112.9D582 T587D582-T585 WeakPolarHBondContact CB-OG1 3.4Å; D582-T585 PolarHBondContact OD2-OG1 3.16Å; D582-T585 PolarHBondContact OD1-N 2.86Å; T585-T587 PolarHBondContact OG1-OG1 3.38Å
586N95.8Very high86.3Confident67 Ų6771.5 Ų71.536%0.35840%0.398SS..THydrogen-bonded Turntrans55.249.2-172.2-175.841.8000111.5A529 Y581 D582A529-N586 WeakPolarHBondContact CB-O 3.41Å; A529-N586 WeakPolarHBondContact CB-OD1 3.3Å; A529-N586 PolarHBondContact N-OD1 2.84Å; Y581-N586 WeakPolarHBondContact CE2-OD1 3.42Å; Y581-N586 PolarHBondContact OH-OD1 2.87Å; D582-N586 VanDerWaalsContact O-CA 3.29Å; D582-N586 WeakPolarHBondContact O-CA 3.33Å; D582-N586 PolarHBondContact O-N 3.32Å
587T95.2Very high85.3Confident74 Ų7469.9 Ų69.945%0.45439%0.392SS..EExtended strand (participates in β ladder)trans-132149.4-178.960.60000112.5D582 T585D582-T587 PolarHBondContact N-O 3.22Å; D582-T587 PolarHBondContact O-N 2.85Å; T585-T587 PolarHBondContact OG1-OG1 3.38Å
588W94.6Very high84.8Confident45 Ų4573.1 Ų73.117%0.1741%0.412CS..EExtended strand (participates in β ladder)trans-96.3145.1170.3-70.494.9000111.5F508 L515 A529 P530 L531 V557 H579 C580 Y581F508-W588 HydrophobicContact CE2-CH2 4.5Å; L515-W588 HydrophobicContact CB-CZ2 4.14Å; L515-W588 HydrophobicContact CD2-CZ2 3.89Å; L515-W588 HydrophobicContact CG-CZ2 4.42Å; A529-W588 PolarHBondContact O-NE1 3.03Å; P530-W588 PolarHBondContact O-NE1 2.99Å; L531-W588 HydrophobicContact CB-CD2 4.07Å; L531-W588 HydrophobicContact CB-CG 4.4Å; L531-W588 HydrophobicContact CB-CZ2 4.13Å; L531-W588 HydrophobicContact CD1-CB 4.12Å; L531-W588 HydrophobicContact CD1-CD2 3.79Å; L531-W588 HydrophobicContact CD1-CE3 3.85Å; L531-W588 HydrophobicContact CD1-CG 3.94Å; L531-W588 HydrophobicContact CG-CD2 4.48Å; V557-W588 HydrophobicContact CB-CZ3 4.37Å; V557-W588 HydrophobicContact CG2-CH2 3.48Å; V557-W588 VanDerWaalsContact CG2-CH2 3.48Å; V557-W588 HydrophobicContact CG2-CZ3 3.71Å; H579-W588 HydrophobicContact CB-CE3 3.79Å; H579-W588 HydrophobicContact CB-CZ3 3.95Å; C580-W588 CarbonylContact O-C 3.26Å; C580-W588 WeakPolarHBondContact O-CA 3.38Å; Y581-W588 AromaticContact CD2-CE2 3.75Å; Y581-W588 HydrophobicContact CD2-CD2 4.1Å; Y581-W588 HydrophobicContact CG-CZ2 4.22Å; Y581-W588 HydrophobicContact CG-CH2 4.46Å; Y581-W588 HydrophobicContact CG-CD2 4.48Å; Y581-W588 HydrophobicContact CD2-CZ2 4.13Å; Y581-W588 HydrophobicContact CD2-CG 4.37Å; Y581-W588 AromaticContact CD2-NE1 3.74Å
589S92.7Very high84.3Confident57 Ų5775 Ų7540%0.39943%0.425SS..EExtended strand (participates in β ladder)trans-130.5138.4169.258.60000110H579 C580H579-S589 WeakPolarHBondContact CA-O 3.38Å; C580-S589 PolarHBondContact N-O 2.88Å; C580-S589 PolarHBondContact O-N 3.23Å; C580-S589 PolarHBondContact O-OG 3.37Å
590C89.7Confident83.7Confident81 Ų8180.9 Ų80.955%0.54745%0.447SS..EExtended strand (participates in β ladder)trans-82.8123.7171.6-177.20000109
591I87Confident83Confident64 Ų6481.1 Ų81.133%0.32845%0.45SS..EExtended strand (participates in β ladder)trans-89.9114.6-180-57.4-60000108.3Y556 V578 C580 V593Y556-I591 HydrophobicContact CE1-CG1 4.17Å; V578-I591 HydrophobicContact CB-CB 4.24Å; V578-I591 HydrophobicContact CG1-CB 4.16Å; V578-I591 HydrophobicContact CG1-CG1 4.4Å; V578-I591 PolarHBondContact O-N 3.02Å; C580-I591 HydrophobicContact CB-CD1 3.72Å; C580-I591 HydrophobicContact CB-CG1 3.67Å; I591-V593 VanDerWaalsContact O-N 3.15Å; I591-V593 PolarHBondContact O-N 3.38Å
592K74.2Confident82.1Confident188 Ų18885.1 Ų85.182%0.81747%0.47SS*.  trans-69.5111.1175.2-170.2177.7-176.4178.90109.7
593V72.9Confident80.9Confident62 Ų6289.2 Ų89.238%0.37649%0.486SS..  trans-76.5127.8174.1-167.30000109.1V578 I591 N595 T597V578-V593 HydrophobicContact CB-CG2 4.38Å; V578-V593 HydrophobicContact CG2-CG2 3.89Å; I591-V593 VanDerWaalsContact O-N 3.15Å; I591-V593 PolarHBondContact O-N 3.38Å; V593-N595 VanDerWaalsContact C-N 3.28Å; V593-N595 PolarHBondContact O-N 2.98Å; V593-T597 HydrophobicContact CB-CG2 3.91Å; V593-T597 HydrophobicContact CG1-CG2 3.6Å; V593-T597 HydrophobicContact CG2-CG2 3.99Å
594L63.6Low80Confident168 Ų16889.5 Ų89.588%0.8850%0.495SS*.SBendtrans-69.6-23.9-172.8-69.8169.2000113.5
595N68.2Low79.6Confident134 Ų13485.7 Ų85.772%0.71747%0.473SS*.SBendtrans-112.6152.6177.2-67.1-17.4000109.7V593 T597V593-N595 VanDerWaalsContact C-N 3.28Å; V593-N595 PolarHBondContact O-N 2.98Å; N595-T597 PolarHBondContact O-N 3.12Å
596T56.4Low79.2Confident146 Ų14684 Ų8490%0.89646%0.463SS*.  trans-54.4112.3171.248.30000109.2
597T64.1Low78.7Confident50 Ų5082.2 Ų82.231%0.30746%0.455SS..PPolyproline II helixtrans-76.4135.917132.10000108.6D576 V593 N595D576-T597 WeakPolarHBondContact CB-OG1 3.41Å; D576-T597 WeakPolarHBondContact O-CB 3.4Å; D576-T597 PolarHBondContact O-OG1 2.83Å; V593-T597 HydrophobicContact CB-CG2 3.91Å; V593-T597 HydrophobicContact CG1-CG2 3.6Å; V593-T597 HydrophobicContact CG2-CG2 3.99Å; N595-T597 PolarHBondContact O-N 3.12Å
598V75.2Confident78.1Confident96 Ų9680.7 Ų80.758%0.58244%0.444SS*.PPolyproline II helixtrans-75.3131.3163.6-179.10000106R600V598-R600 WeakPolarHBondContact O-CG 3.49Å; V598-R600 PolarHBondContact O-N 2.97Å
599P79.6Confident77.1Confident62 Ų6283.9 Ų83.940%0.40346%0.464SS..PPolyproline II helixtrans-51.6132.5171-26.132.6000111.5P574 R575 D576P574-P599 HydrophobicContact CB-CB 3.68Å; P574-P599 HydrophobicContact CG-CB 3.77Å; P574-P599 WeakPolarHBondContact O-CB 3.47Å; R575-P599 CarbonylContact O-C 3.57Å; R575-P599 WeakPolarHBondContact O-CA 3.12Å; D576-P599 HydrophobicContact CB-CB 4.39Å; D576-P599 HydrophobicContact CB-CG 4.09Å
600R80.6Confident75.9Confident134 Ų13491.2 Ų91.251%0.50650%0.495SS..BIsolated β-bridgetrans-138.7139-173.7-77.3173.3-166.2-90.81.2110.6G559 G560 R575 V598 F603G559-R600 CarbonylContact C-O 3.57Å; G559-R600 VanDerWaalsContact CA-O 3.29Å; G559-R600 WeakPolarHBondContact CA-O 3.37Å; G560-R600 PolarHBondContact N-O 3.21Å; R575-R600 PolarHBondContact O-N 2.85Å; V598-R600 WeakPolarHBondContact O-CG 3.49Å; V598-R600 PolarHBondContact O-N 2.97Å; R600-F603 HydrophobicContact CB-CE2 3.92Å; R600-F603 HydrophobicContact CG-CE2 3.89Å; R600-F603 HydrophobicContact CG-CD2 4.07Å; R600-F603 HydrophobicContact CB-CD2 3.74Å
601A80.1Confident75.2Confident12 Ų1291.7 Ų91.710%0.09949%0.492CS..  trans-148.7162.1172.100000109.6F561 F603F561-A601 HydrophobicContact CD1-CB 3.83Å; F561-A601 HydrophobicContact CD2-CB 3.46Å; F561-A601 VanDerWaalsContact CD2-CB 3.46Å; F561-A601 HydrophobicContact CE1-CB 3.69Å; F561-A601 HydrophobicContact CE2-CB 3.34Å; F561-A601 HydrophobicContact CG-CB 3.74Å; F561-A601 HydrophobicContact CZ-CB 3.46Å; F561-A601 VanDerWaalsContact CZ-CB 3.46Å; A601-F603 WeakPolarHBondContact O-CD2 3.3Å; A601-F603 VanDerWaalsContact O-CE2 3.22Å; A601-F603 WeakPolarHBondContact O-CE2 3.27Å; A601-F603 PolarHBondContact O-N 2.86Å
602I77.3Confident74.6Confident84 Ų8493.2 Ų93.243%0.43150%0.501SS..SBendtrans59.234.8-177.7-32.1177.3000111.3H274 H545 F561H274-I602 PolarHBondContact CE1-O 3.42Å; H274-I602 PolarHBondContact NE2-O 2.81Å; H545-I602 HydrophobicContact CB-CB 4.37Å; H545-I602 HydrophobicContact CB-CG1 4.02Å; H545-I602 PolarHBondContact O-N 2.77Å; F561-I602 HydrophobicContact CD2-CG1 4.44Å; F561-I602 HydrophobicContact CE2-CD1 3.73Å; F561-I602 HydrophobicContact CE2-CG1 3.48Å; F561-I602 VanDerWaalsContact CE2-CG1 3.48Å; F561-I602 HydrophobicContact CZ-CD1 4.12Å; F561-I602 HydrophobicContact CZ-CG1 4.11Å
603F70Confident74.6Confident120 Ų12087.9 Ų87.953%0.52648%0.483SS..  trans-107.9144.7176-74-85.9000111.1R600 A601R600-F603 HydrophobicContact CB-CE2 3.92Å; R600-F603 HydrophobicContact CG-CE2 3.89Å; R600-F603 HydrophobicContact CG-CD2 4.07Å; R600-F603 HydrophobicContact CB-CD2 3.74Å; A601-F603 WeakPolarHBondContact O-CD2 3.3Å; A601-F603 VanDerWaalsContact O-CE2 3.22Å; A601-F603 WeakPolarHBondContact O-CE2 3.27Å; A601-F603 PolarHBondContact O-N 2.86Å
604G74.2Confident74.7Confident39 Ų3989.4 Ų89.440%0.40249%0.489SS..  trans-66.5131.4167.400000110.4S276S276-G604 WeakPolarHBondContact OG-CA 3.21Å
605C85.1Confident75.4Confident39 Ų3984.5 Ų84.526%0.26447%0.465SS..  trans-114.4128.6178.7-178.20000109.4G547G547-C605 VanDerWaalsContact CA-CB 3.48Å
606V86.1Confident75.9Confident42 Ų4281.2 Ų81.226%0.25545%0.448SS..  trans-136.5142.6179.3-63.60000110.2S276 I284S276-V606 WeakPolarHBondContact O-CG1 3.28Å; S276-V606 WeakPolarHBondContact OG-CG1 3.43Å; I284-V606 HydrophobicContact CD1-CG2 4.05Å; I284-V606 HydrophobicContact CG1-CG2 4.23Å; I284-V606 HydrophobicContact CG2-CG2 4.05Å
607C86.2Confident77.2Confident30 Ų3076.6 Ų76.620%0.20342%0.416CS..  trans-95.2132.3168.5-178.50000109.9S278 S549 W550 V551S278-C607 PolarHBondContact OG-O 3.48Å; S549-C607 WeakPolarHBondContact OG-CB 3.37Å; W550-C607 WeakPolarHBondContact O-CB 3.24Å; V551-C607 HydrophobicContact CG2-CB 4.3Å
608L82.4Confident78.2Confident41 Ų4178.6 Ų78.622%0.21543%0.425CS..  trans-101.1121.1166.4-65.1176000108.3P256 I284 M610P256-L608 HydrophobicContact CB-CD1 4.32Å; P256-L608 HydrophobicContact CG-CD1 3.7Å; I284-L608 HydrophobicContact CD1-CD1 4.1Å; I284-L608 HydrophobicContact CD1-CD2 4.37Å; I284-L608 HydrophobicContact CD1-CG 4.41Å; I284-L608 HydrophobicContact CG1-CD1 4.49Å; I284-L608 HydrophobicContact CG1-CD2 3.95Å; L608-M610 HydrophobicContact CB-CG 3.82Å; L608-M610 HydrophobicContact CD1-CG 4.41Å; L608-M610 HydrophobicContact CD1-SD 4.28Å; L608-M610 PolarHBondContact O-N 3.24Å
609N73.8Confident78.5Confident113 Ų11377.2 Ų77.260%0.60441%0.412SS*.  trans-76.180.8166.1-72.2-7.5000108.1S281S281-N609 VanDerWaalsContact CB-O 3.24Å; S281-N609 WeakPolarHBondContact CB-O 3.49Å; S281-N609 PolarHBondContact OG-O 2.9Å
610M66.8Low78.4Confident210 Ų21078.5 Ų78.5100%1.03441%0.413SS*.  trans-82.30177.7-69.3-161.2-64.800112.4L608L608-M610 HydrophobicContact CB-CG 3.82Å; L608-M610 HydrophobicContact CD1-CG 4.41Å; L608-M610 HydrophobicContact CD1-SD 4.28Å; L608-M610 PolarHBondContact O-N 3.24Å

Retrieved 610 of 610 residues in 588.1 ms (Link to these results)

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