A0A3Q0KHX3_SCHMA Loading...

WD_REPEATS_REGION domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KHX3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 531 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
1M45Very low69.3Low130 Ų13076.7 Ų76.764%0.6446%0.457SS*.  0148.30-103.3168.9-178.500110.1Q519 I520M1-Q519 HydrophobicContact CE-CB 4.18Å; M1-Q519 HydrophobicContact CE-CG 4Å; M1-I520 HydrophobicContact SD-CD1 4.1Å; M1-I520 HydrophobicContact SD-CG1 4.43Å
2K49.2Very low71.3Confident172 Ų17272.3 Ų72.375%0.74843%0.431SS*.  trans-76.2147.2169.2-73.9-179179.9175.60109S4 S5K2-S4 WeakPolarHBondContact CB-OG 3.42Å; K2-S4 PolarHBondContact O-N 3.47Å; K2-S5 PolarHBondContact O-N 3Å; K2-S5 VanDerWaalsContact O-N 3.08Å; K2-S5 PolarHBondContact O-OG 3.41Å
3L54.1Low72.9Confident91 Ų9171.9 Ų71.948%0.47644%0.441SS..G310 helixtrans-50.1-24.1175-155.592000113S5 F6 R481 L482L3-S5 PolarHBondContact O-N 3.41Å; L3-F6 PolarHBondContact O-N 3.24Å; L3-R481 WeakPolarHBondContact CD1-O 3.44Å; L3-L482 HydrophobicContact CD1-CD2 3.81Å
4S52.5Low74.3Confident109 Ų10967.9 Ų67.976%0.76242%0.416SS*.G310 helixtrans-58.5-15.6176.760.20000115.2K2K2-S4 WeakPolarHBondContact CB-OG 3.42Å; K2-S4 PolarHBondContact O-N 3.47Å
5S66.6Low75.3Confident48 Ų4866.5 Ų66.534%0.33640%0.403SS..G310 helixtrans-89.9-6.3174.567.40000113.8K2 L3K2-S5 PolarHBondContact O-N 3Å; K2-S5 VanDerWaalsContact O-N 3.08Å; K2-S5 PolarHBondContact O-OG 3.41Å; L3-S5 PolarHBondContact O-N 3.41Å
6F75.3Confident76.2Confident22 Ų2266.5 Ų66.510%0.09641%0.405CS..SBendtrans-79136.8175.8-91.3-104.1000110.7L3 L426 A480 L482 F502 P517L3-F6 PolarHBondContact O-N 3.24Å; F6-L426 HydrophobicContact CZ-CD2 4.17Å; F6-A480 HydrophobicContact CD2-CB 4.16Å; F6-A480 HydrophobicContact CE1-CB 4.5Å; F6-A480 HydrophobicContact CE2-CB 3.11Å; F6-A480 HydrophobicContact CZ-CB 3.3Å; F6-L482 HydrophobicContact CD1-CD2 3.71Å; F6-L482 HydrophobicContact CD2-CD2 4.13Å; F6-L482 HydrophobicContact CE1-CD1 4.27Å; F6-L482 HydrophobicContact CE1-CD2 3.8Å; F6-L482 HydrophobicContact CE2-CD2 4.27Å; F6-L482 HydrophobicContact CG-CD2 3.87Å; F6-L482 HydrophobicContact CZ-CD2 4.09Å; F6-F502 HydrophobicContact CE1-CZ 4.38Å; F6-P517 HydrophobicContact CD1-CG 3.95Å; F6-P517 HydrophobicContact CD2-CG 3.58Å; F6-P517 HydrophobicContact CE1-CG 3.79Å; F6-P517 HydrophobicContact CE2-CG 3.32Å; F6-P517 HydrophobicContact CG-CG 3.86Å; F6-P517 HydrophobicContact CZ-CG 3.47Å; F6-P517 VanDerWaalsContact CZ-CG 3.47Å
7P76.1Confident77.2Confident40 Ų4066.2 Ų66.226%0.2640%0.401SS..PPolyproline II helixtrans-58.8151.3165.526.9-32.5000109.5S9 R515P7-S9 PolarHBondContact O-N 2.78Å; P7-R515 HydrophobicContact CG-CB 3.86Å; P7-R515 HydrophobicContact CG-CG 4.39Å
8P78.8Confident78Confident120 Ų12062.6 Ų62.678%0.77938%0.379SS*.PPolyproline II helixtrans-57135.1176.325.5-33.7000110.1
9S84.5Confident78.6Confident43 Ų4365.4 Ų65.430%0.30138%0.382SS..PPolyproline II helixtrans-76140.6173.453.40000110.7P7 Q484 I513 N514P7-S9 PolarHBondContact O-N 2.78Å; S9-Q484 VanDerWaalsContact CB-NE2 3.27Å; S9-Q484 PolarHBondContact OG-NE2 3.15Å; S9-Q484 VanDerWaalsContact OG-NE2 3.14Å; S9-I513 WeakPolarHBondContact CA-O 3.22Å; S9-N514 WeakPolarHBondContact CB-OD1 3.48Å
10S89.4Confident79.3Confident24 Ų2462.7 Ų62.717%0.16837%0.366CS..EExtended strand (participates in β ladder)trans-93.5134.4167.4-64.90000109.4I89 L512 I513S10-I89 WeakPolarHBondContact OG-CB 3.23Å; S10-I89 VanDerWaalsContact OG-CG2 3.26Å; S10-I89 WeakPolarHBondContact OG-CG2 3.19Å; S10-I89 PolarHBondContact OG-O 3.09Å; S10-L512 WeakPolarHBondContact O-CA 3.33Å; S10-I513 PolarHBondContact N-O 3.33Å; S10-I513 PolarHBondContact O-N 2.98Å
11G90.5Very high80.2Confident45 Ų4560 Ų6046%0.46435%0.351SS..EExtended strand (participates in β ladder)trans-129.5146.2-174.800000112.8F511G11-F511 CarbonylContact C-O 3.55Å; G11-F511 WeakPolarHBondContact CA-O 3.2Å
12V93.3Very high82.6Confident23 Ų2354.4 Ų54.414%0.13932%0.324CS..EExtended strand (participates in β ladder)trans-137.9136.2171.3670000109.9V14 V81 L91 K93 F511V12-V14 PolarHBondContact O-N 2.84Å; V12-V81 HydrophobicContact CG1-CG1 3.94Å; V12-V81 HydrophobicContact CG1-CG2 4.14Å; V12-L91 HydrophobicContact CB-CB 4.23Å; V12-L91 HydrophobicContact CB-CD1 4.11Å; V12-L91 HydrophobicContact CG1-CB 4.23Å; V12-L91 HydrophobicContact CG1-CD1 3.93Å; V12-K93 HydrophobicContact CG2-CD 3.81Å; V12-K93 HydrophobicContact CG2-CG 4.41Å; V12-F511 HydrophobicContact CG1-CB 4.25Å; V12-F511 HydrophobicContact CG1-CD1 3.81Å; V12-F511 HydrophobicContact CG1-CG 4.42Å; V12-F511 PolarHBondContact N-O 2.87Å; V12-F511 WeakPolarHBondContact O-CB 3.5Å; V12-F511 PolarHBondContact O-N 2.85Å; V12-F511 VanDerWaalsContact O-N 3.07Å
13A92.9Very high84.8Confident68 Ų6846.3 Ų46.356%0.56229%0.289SS*.EExtended strand (participates in β ladder)trans-76.5125.5173.200000110.5K93A13-K93 PolarHBondContact O-NZ 3.07Å
14V92.2Very high86.6Confident16 Ų1642.1 Ų42.110%0.09727%0.267CS..  trans-107.6178.5168.8-570000110.1V12 V18 V66 T79 V81 I505 G509 F511V12-V14 PolarHBondContact O-N 2.84Å; V14-V18 HydrophobicContact CG2-CG1 4.24Å; V14-V66 HydrophobicContact CG2-CG1 4.17Å; V14-T79 HydrophobicContact CG1-CG2 3.8Å; V14-V81 HydrophobicContact CG1-CG2 4.39Å; V14-I505 HydrophobicContact CG2-CD1 3.75Å; V14-G509 WeakPolarHBondContact CG2-O 3.4Å; V14-G509 PolarHBondContact N-O 3.39Å; V14-F511 HydrophobicContact CG1-CB 4.27Å
15Q89.5Confident88.1Confident46 Ų4641.6 Ų41.622%0.21525%0.249CC..  trans-60.8137.5176.5-170.6-178.79.300110.3V18 S68 G75 Q77Q15-V18 WeakPolarHBondContact O-CG1 3.46Å; Q15-S68 PolarHBondContact OE1-OG 3.06Å; Q15-G75 PolarHBondContact NE2-O 3.32Å; Q15-G75 PolarHBondContact OE1-O 3Å; Q15-Q77 VanDerWaalsContact OE1-CB 3.29Å; Q15-Q77 VanDerWaalsContact OE1-OE1 3.1Å
16P90.1Very high88.4Confident67 Ų6739.5 Ų39.544%0.43524%0.235SC..SBendtrans-66175.1176.827.9-36.8000112.3D508P16-D508 WeakPolarHBondContact CB-O 3.25Å
17N92.2Very high87.9Confident62 Ų6240.3 Ų40.333%0.33224%0.244SC..SBendtrans62.849.9-175.4-55-32.7000112.2Q69 Y507N17-Q69 HydrophobicContact CB-CB 4.37Å; N17-Q69 VanDerWaalsContact CB-O 3.25Å; N17-Q69 WeakPolarHBondContact CB-O 3.41Å; N17-Q69 VanDerWaalsContact O-CB 3.29Å; N17-Q69 WeakPolarHBondContact O-CB 3.5Å; N17-Q69 PolarHBondContact O-N 3.37Å; N17-Y507 WeakPolarHBondContact CA-O 3.49Å; N17-Y507 HydrophobicContact CB-CE2 4.38Å; N17-Y507 PolarHBondContact N-O 3.41Å; N17-Y507 PolarHBondContact OD1-OH 3.38Å
18V92Very high86.8Confident1 Ų141.5 Ų41.51%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-102.1140.4178.3-73.50000109.9V14 Q15 V66 I505 S506V14-V18 HydrophobicContact CG2-CG1 4.24Å; Q15-V18 WeakPolarHBondContact O-CG1 3.46Å; V18-V66 HydrophobicContact CB-CG1 3.87Å; V18-V66 HydrophobicContact CG1-CG1 3.58Å; V18-I505 HydrophobicContact CB-CG1 3.98Å; V18-I505 HydrophobicContact CG2-CD1 3.79Å; V18-I505 HydrophobicContact CG2-CG1 3.31Å; V18-S506 WeakPolarHBondContact CG2-O 3.44Å
19R89.4Confident85.5Confident115 Ų11542.3 Ų42.343%0.43424%0.239SC..EExtended strand (participates in β ladder)trans-135.9-9.2-179.8-64.9-163.5-178.6-158.1-3.1114.3Q69 Y490R19-Q69 VanDerWaalsContact CD-OE1 3.28Å; R19-Y490 HydrophobicContact CB-CG 4.37Å; R19-Y490 HydrophobicContact CG-CD1 4.31Å; R19-Y490 HydrophobicContact CG-CD2 4.09Å; R19-Y490 HydrophobicContact CG-CE1 4.47Å; R19-Y490 HydrophobicContact CG-CE2 4.27Å; R19-Y490 HydrophobicContact CG-CG 4.12Å
20C93.3Very high83.7Confident11 Ų1145.3 Ų45.37%0.07425%0.251CS..EExtended strand (participates in β ladder)trans-129.1133.9-175.755.70000110.3G67 L106C20-G67 PolarHBondContact O-N 3.13Å; C20-G67 VanDerWaalsContact SG-CA 3.54Å; C20-G67 PolarHBondContact SG-O 3.17Å; C20-G67 VanDerWaalsContact SG-O 3.42Å; C20-L106 HydrophobicContact CB-CB 4.48Å; C20-L106 HydrophobicContact CB-CG 4.33Å
21L96.9Very high81.8Confident7 Ų747 Ų474%0.03726%0.263CS..EExtended strand (participates in β ladder)trans-139.2133179.2167.863.9000107F64 L65 V66 A491 E493 A503 I505 F511L21-F64 HydrophobicContact CD1-CB 3.86Å; L21-F64 HydrophobicContact CD1-CD1 4.02Å; L21-F64 HydrophobicContact CD1-CG 4.26Å; L21-L65 WeakPolarHBondContact CA-O 3.44Å; L21-V66 HydrophobicContact CD1-CG2 3.95Å; L21-A491 HydrophobicContact CB-CB 3.75Å; L21-E493 HydrophobicContact CD2-CB 4.28Å; L21-E493 HydrophobicContact CG-CB 4.16Å; L21-A503 HydrophobicContact CD1-CB 4.31Å; L21-A503 HydrophobicContact CD2-CB 3.89Å; L21-I505 HydrophobicContact CB-CG2 3.72Å; L21-I505 HydrophobicContact CD2-CB 4.39Å; L21-I505 HydrophobicContact CD2-CG2 4.15Å; L21-F511 HydrophobicContact CD1-CD2 4.32Å; L21-F511 HydrophobicContact CD1-CE2 3.67Å
22V96.3Very high79.9Confident13 Ų1346.2 Ų46.28%0.07925%0.25CS..EExtended strand (participates in β ladder)trans-139.6141.3175-66.70000110.1F64 L65 L106 T108V22-F64 CarbonylContact O-C 3.51Å; V22-F64 WeakPolarHBondContact O-CA 3.25Å; V22-L65 HydrophobicContact CG2-CB 3.79Å; V22-L65 HydrophobicContact CG2-CD1 4.41Å; V22-L65 PolarHBondContact N-O 3.36Å; V22-L65 PolarHBondContact O-N 3.27Å; V22-L106 HydrophobicContact CG1-CB 3.93Å; V22-L106 WeakPolarHBondContact CG1-O 3.5Å; V22-L106 HydrophobicContact CG2-CB 3.88Å; V22-L106 HydrophobicContact CG2-CD1 4.32Å; V22-T108 HydrophobicContact CB-CG2 3.79Å; V22-T108 HydrophobicContact CG2-CG2 3.56Å
23G94.2Very high78.2Confident2 Ų249.7 Ų49.72%0.02127%0.268CS..EExtended strand (participates in β ladder)trans-84.1141.8170.600000111.5T108G23-T108 WeakPolarHBondContact O-CG2 3.46Å
24L91.8Very high76.5Confident2 Ų252.6 Ų52.61%0.0127%0.27CS..  trans-92144.8176.7-64.7179.7000111G26 R63 L65 L80 T108 I139 P496L24-G26 PolarHBondContact O-N 3.47Å; L24-R63 HydrophobicContact CB-CB 4.2Å; L24-R63 HydrophobicContact CD1-CB 3.99Å; L24-R63 HydrophobicContact CG-CB 4.46Å; L24-R63 PolarHBondContact N-O 3.09Å; L24-L65 HydrophobicContact CD1-CD2 4.44Å; L24-L65 HydrophobicContact CD1-CG 4.07Å; L24-L65 HydrophobicContact CD2-CD1 3.78Å; L24-L65 HydrophobicContact CD2-CG 4.01Å; L24-L65 HydrophobicContact CG-CD1 4.47Å; L24-L65 HydrophobicContact CG-CG 4.16Å; L24-L80 HydrophobicContact CD1-CD1 3.61Å; L24-T108 HydrophobicContact CD2-CG2 3.78Å; L24-I139 HydrophobicContact CD1-CD1 3.53Å; L24-I139 HydrophobicContact CD2-CD1 4.05Å; L24-I139 HydrophobicContact CG-CD1 4.48Å; L24-P496 WeakPolarHBondContact O-CD 3.38Å
25Y83.9Confident75.1Confident98 Ų9854.9 Ų54.938%0.38428%0.281SS..  trans-81.812.2-176.5-68.4-84.4000114.4T108 A110 P496Y25-T108 WeakPolarHBondContact CE2-OG1 3.05Å; Y25-A110 HydrophobicContact CD1-CB 4.49Å; Y25-A110 HydrophobicContact CD2-CB 4.41Å; Y25-A110 HydrophobicContact CE1-CB 4.18Å; Y25-A110 HydrophobicContact CE2-CB 4.09Å; Y25-P496 HydrophobicContact CD1-CB 3.48Å; Y25-P496 VanDerWaalsContact CD1-CB 3.48Å; Y25-P496 HydrophobicContact CD1-CG 4.16Å; Y25-P496 HydrophobicContact CE1-CB 3.76Å; Y25-P496 HydrophobicContact CE1-CG 4.27Å; Y25-P496 HydrophobicContact CG-CB 4.1Å; Y25-P496 HydrophobicContact CG-CG 4.45Å
26G73Confident74Confident5 Ų554.8 Ų54.85%0.05228%0.282CS..  trans87.5-151-178.800000113.8L24 P113L24-G26 PolarHBondContact O-N 3.47Å; G26-P113 WeakPolarHBondContact O-CB 3.27Å
27S65.1Low72.9Confident38 Ų3855.2 Ų55.227%0.26628%0.281SS..  trans-102.6154.4176.8-1720000111.8N143S27-N143 WeakPolarHBondContact CB-OD1 3.45Å; S27-N143 VanDerWaalsContact OG-CG 3.27Å; S27-N143 PolarHBondContact OG-ND2 2.83Å; S27-N143 PolarHBondContact OG-OD1 3.12Å
28L53.1Low71.9Confident65 Ų6559.2 Ų59.234%0.3429%0.291SS..  trans-66.7134.4175.7-90.6142.8000111.1D30 P113L28-D30 PolarHBondContact O-N 3.03Å; L28-P113 HydrophobicContact CB-CG 4.42Å; L28-P113 HydrophobicContact CD1-CG 4.16Å; L28-P113 HydrophobicContact CG-CG 3.65Å
29K52.4Low70.6Confident138 Ų13860.1 Ų60.160%0.630%0.296SS*.Hα-helixtrans-60.7-21.1177.2-66.9-170.4170.8-164.10114.8S32 L33 E58K29-S32 PolarHBondContact O-OG 3.28Å; K29-L33 PolarHBondContact O-N 2.78Å; K29-E58 WeakPolarHBondContact CE-OE1 3.12Å; K29-E58 IonicContact NZ-OE1 3.87Å
30D46.4Very low69.9Low106 Ų10658.1 Ų58.157%0.56730%0.297SS*.Hα-helixtrans-82.2-41-159.9-67.6-20.4000114.2L28 S32 L33 E34L28-D30 PolarHBondContact O-N 3.03Å; D30-S32 PolarHBondContact O-N 3.49Å; D30-L33 PolarHBondContact O-N 3.37Å; D30-E34 PolarHBondContact O-N 3.1Å; D30-E34 VanDerWaalsContact O-N 3.16Å
31S49.3Very low69.1Low58 Ų5865.3 Ų65.341%0.40633%0.329SS..Hα-helixtrans-72.8-31.3-176.157.20000113.3N35S31-N35 PolarHBondContact O-N 3.25Å; S31-N35 PolarHBondContact O-ND2 3Å; S31-N35 VanDerWaalsContact O-ND2 3.15Å
32S51.3Low68.3Low29 Ų2970.5 Ų70.520%0.20335%0.353CS..Hα-helixtrans-71.3-39.217645.30000111.1K29 D30 L36K29-S32 PolarHBondContact O-OG 3.28Å; D30-S32 PolarHBondContact O-N 3.49Å; S32-L36 WeakPolarHBondContact O-CB 3.28Å; S32-L36 PolarHBondContact O-N 3.41Å
33L56Low67.1Low97 Ų9777.4 Ų77.451%0.50839%0.389SS..Hα-helixtrans-68.9-40.5179.4-162.974.5000112.5K29 D30 L36 N37K29-L33 PolarHBondContact O-N 2.78Å; D30-L33 PolarHBondContact O-N 3.37Å; L33-L36 PolarHBondContact O-N 3.16Å; L33-N37 VanDerWaalsContact O-CB 3.28Å; L33-N37 WeakPolarHBondContact O-CB 3.32Å; L33-N37 PolarHBondContact O-N 3.16Å; L33-N37 PolarHBondContact O-ND2 3.21Å
34E58.4Low66Low128 Ų12882.1 Ų82.160%0.59841%0.407SS*.Hα-helixtrans-62.7-42.6175.7-75.3-172.3172.500112.4D30 N37 R38D30-E34 PolarHBondContact O-N 3.1Å; D30-E34 VanDerWaalsContact O-N 3.16Å; E34-N37 PolarHBondContact O-N 2.61Å; E34-R38 WeakPolarHBondContact O-CG 3.32Å; E34-R38 PolarHBondContact O-N 3.25Å
35N63.1Low65.4Low64 Ų6488 Ų8834%0.34244%0.438SS..Hα-helixtrans-71.8-37.1177.5-73.1-32.1000112.3S31 R38 L39 Y52S31-N35 PolarHBondContact O-N 3.25Å; S31-N35 PolarHBondContact O-ND2 3Å; S31-N35 VanDerWaalsContact O-ND2 3.15Å; N35-R38 PolarHBondContact O-N 3.38Å; N35-L39 VanDerWaalsContact O-CG 3.29Å; N35-L39 WeakPolarHBondContact O-CG 3.02Å; N35-L39 PolarHBondContact O-N 3.05Å; N35-Y52 HydrophobicContact CB-CE1 4.04Å; N35-Y52 WeakPolarHBondContact CB-OH 3.25Å; N35-Y52 PolarHBondContact ND2-OH 2.92Å
36L64.8Low65Low44 Ų4491 Ų9123%0.2346%0.456CS..Hα-helixtrans-63.4-43.7172.9-174.4125000110.7S32 L33 R38 L39 V40 Y52 A53S32-L36 WeakPolarHBondContact O-CB 3.28Å; S32-L36 PolarHBondContact O-N 3.41Å; L33-L36 PolarHBondContact O-N 3.16Å; L36-R38 VanDerWaalsContact C-N 3.35Å; L36-R38 PolarHBondContact O-N 2.97Å; L36-L39 PolarHBondContact O-N 3.21Å; L36-V40 VanDerWaalsContact O-CG2 3.28Å; L36-V40 WeakPolarHBondContact O-CG2 3.47Å; L36-V40 PolarHBondContact O-N 3.33Å; L36-Y52 HydrophobicContact CB-CD1 4.21Å; L36-Y52 HydrophobicContact CB-CE1 4.06Å; L36-Y52 HydrophobicContact CD1-CD1 4.14Å; L36-A53 HydrophobicContact CD1-CB 3.55Å
37N68.5Low64.9Low77 Ų7797.7 Ų97.741%0.41249%0.485SS..Hα-helixtrans-60.9-42.4173.1-73.9-20.6000111.5L33 E34 L39 V40 E41L33-N37 VanDerWaalsContact O-CB 3.28Å; L33-N37 WeakPolarHBondContact O-CB 3.32Å; L33-N37 PolarHBondContact O-N 3.16Å; L33-N37 PolarHBondContact O-ND2 3.21Å; E34-N37 PolarHBondContact O-N 2.61Å; N37-L39 PolarHBondContact O-N 2.99Å; N37-V40 PolarHBondContact O-N 3.29Å; N37-E41 WeakPolarHBondContact O-CB 3.29Å; N37-E41 VanDerWaalsContact O-CG 3.31Å; N37-E41 WeakPolarHBondContact O-CG 3.4Å; N37-E41 PolarHBondContact O-N 3.41Å
38R70.3Confident65Low146 Ų14699.8 Ų99.855%0.55149%0.491SS*.Hα-helixtrans-61.8-40.9174-78.6-179.5178.3172.53.8113E34 N35 L36 V40 E41 E42E34-R38 WeakPolarHBondContact O-CG 3.32Å; E34-R38 PolarHBondContact O-N 3.25Å; N35-R38 PolarHBondContact O-N 3.38Å; L36-R38 VanDerWaalsContact C-N 3.35Å; L36-R38 PolarHBondContact O-N 2.97Å; R38-V40 VanDerWaalsContact C-N 3.32Å; R38-E41 PolarHBondContact O-N 3.16Å; R38-E42 WeakPolarHBondContact O-CB 3.25Å; R38-E42 WeakPolarHBondContact O-CG 3.35Å; R38-E42 PolarHBondContact O-N 3.49Å
39L66.2Low65.9Low19 Ų1998.4 Ų98.410%0.09948%0.483CS..Hα-helixtrans-67.3-34.5177.7-73.2163.9000112.3N35 L36 N37 R44 Y52N35-L39 VanDerWaalsContact O-CG 3.29Å; N35-L39 WeakPolarHBondContact O-CG 3.02Å; N35-L39 PolarHBondContact O-N 3.05Å; L36-L39 PolarHBondContact O-N 3.21Å; N37-L39 PolarHBondContact O-N 2.99Å; L39-R44 HydrophobicContact CD2-CG 4.37Å; L39-Y52 HydrophobicContact CD1-CD1 3.3Å; L39-Y52 HydrophobicContact CD1-CD2 3.36Å; L39-Y52 HydrophobicContact CD1-CE1 3.67Å; L39-Y52 HydrophobicContact CD1-CE2 3.73Å; L39-Y52 HydrophobicContact CD1-CG 3.14Å
40V73.5Confident66.6Low74 Ų7496.8 Ų96.845%0.44848%0.481SS..Hα-helixtrans-69.2-40.5171.2173.10000111L36 N37 R38 D43 I49L36-V40 VanDerWaalsContact O-CG2 3.28Å; L36-V40 WeakPolarHBondContact O-CG2 3.47Å; L36-V40 PolarHBondContact O-N 3.33Å; N37-V40 PolarHBondContact O-N 3.29Å; R38-V40 VanDerWaalsContact C-N 3.32Å; V40-D43 PolarHBondContact O-N 3Å; V40-I49 HydrophobicContact CG2-CD1 4.27Å; V40-I49 HydrophobicContact CG2-CG2 4.06Å
41E77.5Confident67.4Low162 Ų162100.7 Ų100.776%0.75749%0.488SS*.Hα-helixtrans-69.8-30.9177-75.8178.3177.800113.4N37 R38 D43N37-E41 WeakPolarHBondContact O-CB 3.29Å; N37-E41 VanDerWaalsContact O-CG 3.31Å; N37-E41 WeakPolarHBondContact O-CG 3.4Å; N37-E41 PolarHBondContact O-N 3.41Å; R38-E41 PolarHBondContact O-N 3.16Å; E41-D43 PolarHBondContact O-N 3.47Å
42E79.1Confident68Low116 Ų11699.8 Ų99.854%0.54248%0.476SS..THydrogen-bonded Turntrans-770.3176-76.8-176.8-178.700113.7R38 R44R38-E42 WeakPolarHBondContact O-CB 3.25Å; R38-E42 WeakPolarHBondContact O-CG 3.35Å; R38-E42 PolarHBondContact O-N 3.49Å; E42-R44 VanDerWaalsContact C-N 3.27Å; E42-R44 HydrophobicContact CB-CG 4.13Å; E42-R44 PolarHBondContact O-N 3.33Å; E42-R44 IonicContact OE2-CZ 3.06Å; E42-R44 IonicContact OE2-NE 2.98Å; E42-R44 PolarHBondContact OE2-NE 3.47Å; E42-R44 IonicContact OE2-NH2 3.49Å; E42-R44 PolarHBondContact OE2-NH2 3.12Å
43D70.5Confident68.5Low157 Ų157100 Ų10084%0.8448%0.48SS*.THydrogen-bonded Turntrans55.439.2177.8-120.92.4000112.5V40 E41V40-D43 PolarHBondContact O-N 3Å; E41-D43 PolarHBondContact O-N 3.47Å
44R72.7Confident68.5Low102 Ų102101.4 Ų101.439%0.38549%0.486SS..  trans-72.8160.2177.3-64.2-153.3-169.8-172.13.3112.2L39 E42 E46 E48 I49L39-R44 HydrophobicContact CD2-CG 4.37Å; E42-R44 VanDerWaalsContact C-N 3.27Å; E42-R44 HydrophobicContact CB-CG 4.13Å; E42-R44 PolarHBondContact O-N 3.33Å; E42-R44 IonicContact OE2-CZ 3.06Å; E42-R44 IonicContact OE2-NE 2.98Å; E42-R44 PolarHBondContact OE2-NE 3.47Å; E42-R44 IonicContact OE2-NH2 3.49Å; E42-R44 PolarHBondContact OE2-NH2 3.12Å; R44-E46 PolarHBondContact O-N 3.32Å; R44-E48 IonicContact NH1-OE1 3.29Å; R44-E48 PolarHBondContact NH1-OE1 3.06Å; R44-I49 HydrophobicContact CB-CG1 4.47Å; R44-I49 WeakPolarHBondContact O-CD1 3.47Å
45D78.6Confident68.1Low124 Ų12497.1 Ų97.166%0.66347%0.471SS*.  trans-51132.2179.8-75.4-31000111.7Q47 E48 I49D45-Q47 PolarHBondContact O-N 3.27Å; D45-E48 HydrophobicContact CB-CB 4.36Å; D45-E48 WeakPolarHBondContact O-CA 3.26Å; D45-E48 WeakPolarHBondContact O-CB 3.21Å; D45-E48 PolarHBondContact O-N 3.33Å; D45-I49 PolarHBondContact O-N 3.04Å
46E76.4Confident67.4Low162 Ų16297.7 Ų97.776%0.75747%0.471SS*.Hα-helixtrans-53.3-31.9-178.6-67.1-178.6168.700113R44 L50R44-E46 PolarHBondContact O-N 3.32Å; E46-L50 VanDerWaalsContact O-CB 3.31Å; E46-L50 WeakPolarHBondContact O-CB 3.28Å; E46-L50 WeakPolarHBondContact O-CG 3.38Å; E46-L50 PolarHBondContact O-N 2.91Å
47Q70.4Confident66.5Low145 Ų14598.1 Ų98.168%0.67848%0.481SS*.Hα-helixtrans-70.9-31.8175.9-74.2170.5-0.900112.8D45 R51D45-Q47 PolarHBondContact O-N 3.27Å; Q47-R51 WeakPolarHBondContact O-CB 3.42Å; Q47-R51 WeakPolarHBondContact O-CG 3.29Å; Q47-R51 PolarHBondContact O-N 3.48Å
48E67.8Low65.7Low83 Ų8399.5 Ų99.539%0.38849%0.485SS..Hα-helixtrans-74.7-40.8174.9-160.1-179.7165.500110.2R44 D45 R51 Y52R44-E48 IonicContact NH1-OE1 3.29Å; R44-E48 PolarHBondContact NH1-OE1 3.06Å; D45-E48 HydrophobicContact CB-CB 4.36Å; D45-E48 WeakPolarHBondContact O-CA 3.26Å; D45-E48 WeakPolarHBondContact O-CB 3.21Å; D45-E48 PolarHBondContact O-N 3.33Å; E48-R51 PolarHBondContact O-N 3.46Å; E48-Y52 VanDerWaalsContact O-CB 3.29Å; E48-Y52 WeakPolarHBondContact O-CB 3.46Å; E48-Y52 PolarHBondContact O-N 3.37Å
49I71.1Confident64.8Low35 Ų3593.8 Ų93.818%0.17947%0.467CS..Hα-helixtrans-61.8-47.8172.4-61.2172.9000110.5V40 R44 D45 Y52 A53V40-I49 HydrophobicContact CG2-CD1 4.27Å; V40-I49 HydrophobicContact CG2-CG2 4.06Å; R44-I49 HydrophobicContact CB-CG1 4.47Å; R44-I49 WeakPolarHBondContact O-CD1 3.47Å; D45-I49 PolarHBondContact O-N 3.04Å; I49-Y52 PolarHBondContact O-N 2.69Å; I49-A53 VanDerWaalsContact O-CB 3.24Å; I49-A53 WeakPolarHBondContact O-CB 3.37Å; I49-A53 PolarHBondContact O-N 3.21Å
50L67.6Low65Low104 Ų10498.2 Ų98.255%0.54549%0.491SS..Hα-helixtrans-63.3-42.4176.1-79.5168.3000111.7E46 Y52 A53 I54E46-L50 VanDerWaalsContact O-CB 3.31Å; E46-L50 WeakPolarHBondContact O-CB 3.28Å; E46-L50 WeakPolarHBondContact O-CG 3.38Å; E46-L50 PolarHBondContact O-N 2.91Å; L50-Y52 VanDerWaalsContact C-N 3.32Å; L50-Y52 PolarHBondContact O-N 2.59Å; L50-A53 PolarHBondContact O-N 3.13Å; L50-I54 VanDerWaalsContact O-CB 3.3Å; L50-I54 WeakPolarHBondContact O-CB 3.35Å; L50-I54 WeakPolarHBondContact O-CD1 3.42Å; L50-I54 WeakPolarHBondContact O-CG1 3.4Å; L50-I54 PolarHBondContact O-N 3.24Å
51R62.8Low65.5Low188 Ų18898 Ų9871%0.70949%0.485SS*.Hα-helixtrans-63-39.1174.9-80.6175-177.2-1603.2112Q47 E48 S55Q47-R51 WeakPolarHBondContact O-CB 3.42Å; Q47-R51 WeakPolarHBondContact O-CG 3.29Å; Q47-R51 PolarHBondContact O-N 3.48Å; E48-R51 PolarHBondContact O-N 3.46Å; R51-S55 WeakPolarHBondContact O-CB 3.26Å; R51-S55 PolarHBondContact O-N 3.03Å; R51-S55 PolarHBondContact O-OG 2.98Å
52Y62.4Low66.1Low39 Ų3990.5 Ų90.515%0.15345%0.451CS..Hα-helixtrans-67-45.8174.8-172.1-91.8000111.1N35 L36 L39 E48 I49 L50 I54 S55 H56N35-Y52 HydrophobicContact CB-CE1 4.04Å; N35-Y52 WeakPolarHBondContact CB-OH 3.25Å; N35-Y52 PolarHBondContact ND2-OH 2.92Å; L36-Y52 HydrophobicContact CB-CD1 4.21Å; L36-Y52 HydrophobicContact CB-CE1 4.06Å; L36-Y52 HydrophobicContact CD1-CD1 4.14Å; L39-Y52 HydrophobicContact CD1-CD1 3.3Å; L39-Y52 HydrophobicContact CD1-CD2 3.36Å; L39-Y52 HydrophobicContact CD1-CE1 3.67Å; L39-Y52 HydrophobicContact CD1-CE2 3.73Å; L39-Y52 HydrophobicContact CD1-CG 3.14Å; E48-Y52 VanDerWaalsContact O-CB 3.29Å; E48-Y52 WeakPolarHBondContact O-CB 3.46Å; E48-Y52 PolarHBondContact O-N 3.37Å; I49-Y52 PolarHBondContact O-N 2.69Å; L50-Y52 VanDerWaalsContact C-N 3.32Å; L50-Y52 PolarHBondContact O-N 2.59Å; Y52-I54 VanDerWaalsContact C-N 3.25Å; Y52-I54 PolarHBondContact O-N 2.93Å; Y52-S55 PolarHBondContact O-N 3.03Å; Y52-S55 PolarHBondContact O-OG 3.42Å; Y52-H56 HydrophobicContact CD1-CB 4.43Å; Y52-H56 AromaticContact CD2-CE1 3.61Å; Y52-H56 AromaticContact CD2-ND1 3.56Å; Y52-H56 HydrophobicContact CE1-CB 4.12Å; Y52-H56 AromaticContact CE1-CG 3.98Å; Y52-H56 AromaticContact CE2-CD2 3.75Å; Y52-H56 AromaticContact CE2-CE1 3.21Å; Y52-H56 WeakPolarHBondContact CE2-CE1 3.23Å; Y52-H56 AromaticContact CE2-CG 3.78Å; Y52-H56 AromaticContact CE2-ND1 3.44Å; Y52-H56 WeakPolarHBondContact CE2-ND1 3.45Å; Y52-H56 AromaticContact CE2-NE2 3.38Å; Y52-H56 WeakPolarHBondContact CE2-NE2 3.36Å; Y52-H56 AromaticContact CZ-CD2 3.52Å; Y52-H56 AromaticContact CZ-CE1 3.82Å; Y52-H56 AromaticContact CZ-CG 3.61Å; Y52-H56 AromaticContact CZ-ND1 3.79Å; Y52-H56 AromaticContact CZ-NE2 3.64Å; Y52-H56 WeakPolarHBondContact O-CA 3.32Å; Y52-H56 VanDerWaalsContact O-CB 3.25Å; Y52-H56 WeakPolarHBondContact O-CB 3.25Å; Y52-H56 PolarHBondContact O-N 3.09Å; Y52-H56 PolarHBondContact O-ND1 2.96Å; Y52-H56 PolarHBondContact OH-CD2 3.26Å; Y52-H56 VanDerWaalsContact OH-CD2 3.22Å; Y52-H56 PolarHBondContact OH-NE2 3.26Å
53A61.9Low66.8Low35 Ų3585.7 Ų85.729%0.28943%0.427SS..Hα-helixtrans-62.4-30.8176.900000112.9L36 I49 L50 A57L36-A53 HydrophobicContact CD1-CB 3.55Å; I49-A53 VanDerWaalsContact O-CB 3.24Å; I49-A53 WeakPolarHBondContact O-CB 3.37Å; I49-A53 PolarHBondContact O-N 3.21Å; L50-A53 PolarHBondContact O-N 3.13Å; A53-A57 WeakPolarHBondContact O-CA 3.36Å; A53-A57 WeakPolarHBondContact O-CB 3.35Å; A53-A57 PolarHBondContact O-N 3.21Å
54I55Low68Low125 Ų12578.2 Ų78.264%0.64139%0.387SS*.Hα-helixtrans-86-37.4177.3-67.1164.2000111.5L50 Y52 A57L50-I54 VanDerWaalsContact O-CB 3.3Å; L50-I54 WeakPolarHBondContact O-CB 3.35Å; L50-I54 WeakPolarHBondContact O-CD1 3.42Å; L50-I54 WeakPolarHBondContact O-CG1 3.4Å; L50-I54 PolarHBondContact O-N 3.24Å; Y52-I54 VanDerWaalsContact C-N 3.25Å; Y52-I54 PolarHBondContact O-N 2.93Å; I54-A57 VanDerWaalsContact O-CB 3.3Å; I54-A57 WeakPolarHBondContact O-CB 3.36Å; I54-A57 PolarHBondContact O-N 2.77Å
55S49.3Very low69.1Low39 Ų3973.3 Ų73.327%0.27337%0.369SS..Hα-helixtrans-77.9-31179.167.10000113.1R51 Y52R51-S55 WeakPolarHBondContact O-CB 3.26Å; R51-S55 PolarHBondContact O-N 3.03Å; R51-S55 PolarHBondContact O-OG 2.98Å; Y52-S55 PolarHBondContact O-N 3.03Å; Y52-S55 PolarHBondContact O-OG 3.42Å
56H49.8Very low70Confident76 Ų7667.5 Ų67.535%0.35234%0.338SS..SBendtrans-105.411.9170.5-59.562.5000111.2Y52 E58Y52-H56 HydrophobicContact CD1-CB 4.43Å; Y52-H56 AromaticContact CD2-CE1 3.61Å; Y52-H56 AromaticContact CD2-ND1 3.56Å; Y52-H56 HydrophobicContact CE1-CB 4.12Å; Y52-H56 AromaticContact CE1-CG 3.98Å; Y52-H56 AromaticContact CE2-CD2 3.75Å; Y52-H56 AromaticContact CE2-CE1 3.21Å; Y52-H56 WeakPolarHBondContact CE2-CE1 3.23Å; Y52-H56 AromaticContact CE2-CG 3.78Å; Y52-H56 AromaticContact CE2-ND1 3.44Å; Y52-H56 WeakPolarHBondContact CE2-ND1 3.45Å; Y52-H56 AromaticContact CE2-NE2 3.38Å; Y52-H56 WeakPolarHBondContact CE2-NE2 3.36Å; Y52-H56 AromaticContact CZ-CD2 3.52Å; Y52-H56 AromaticContact CZ-CE1 3.82Å; Y52-H56 AromaticContact CZ-CG 3.61Å; Y52-H56 AromaticContact CZ-ND1 3.79Å; Y52-H56 AromaticContact CZ-NE2 3.64Å; Y52-H56 WeakPolarHBondContact O-CA 3.32Å; Y52-H56 VanDerWaalsContact O-CB 3.25Å; Y52-H56 WeakPolarHBondContact O-CB 3.25Å; Y52-H56 PolarHBondContact O-N 3.09Å; Y52-H56 PolarHBondContact O-ND1 2.96Å; Y52-H56 PolarHBondContact OH-CD2 3.26Å; Y52-H56 VanDerWaalsContact OH-CD2 3.22Å; Y52-H56 PolarHBondContact OH-NE2 3.26Å; H56-E58 PolarHBondContact O-N 3.18Å; H56-E58 VanDerWaalsContact O-N 3.07Å
57A45Very low70.9Confident53 Ų5359.8 Ų59.844%0.43830%0.302SS..SBendtrans-53.2121.9157.900000104.5A53 I54 S59A53-A57 WeakPolarHBondContact O-CA 3.36Å; A53-A57 WeakPolarHBondContact O-CB 3.35Å; A53-A57 PolarHBondContact O-N 3.21Å; I54-A57 VanDerWaalsContact O-CB 3.3Å; I54-A57 WeakPolarHBondContact O-CB 3.36Å; I54-A57 PolarHBondContact O-N 2.77Å; A57-S59 PolarHBondContact O-N 3.05Å; A57-S59 VanDerWaalsContact O-N 3.13Å
58E52.2Low71.9Confident105 Ų10553 Ų5349%0.49127%0.27SS..  trans-17.7111.3177.9-61.3173.1150.600110.4K29 H56 D60K29-E58 WeakPolarHBondContact CE-OE1 3.12Å; K29-E58 IonicContact NZ-OE1 3.87Å; H56-E58 PolarHBondContact O-N 3.18Å; H56-E58 VanDerWaalsContact O-N 3.07Å; E58-D60 PolarHBondContact O-N 3.12Å
59S51.9Low73Confident27 Ų2750.3 Ų50.319%0.18926%0.258CS..  trans-68.588.1176.572.20000106.7A57 E61A57-S59 PolarHBondContact O-N 3.05Å; A57-S59 VanDerWaalsContact O-N 3.13Å; S59-E61 PolarHBondContact O-N 3.16Å
60D70.1Confident73.7Confident112 Ų11249.3 Ų49.360%0.59925%0.254SS*.  trans-69.438.5172.1-75.4-23.8000110.1E58 V62 V497E58-D60 PolarHBondContact O-N 3.12Å; D60-V62 PolarHBondContact O-N 3.46Å; D60-V497 VanDerWaalsContact CA-CG1 3.43Å; D60-V497 HydrophobicContact CB-CG1 3.67Å
61E83.2Confident74Confident69 Ų6952 Ų5232%0.32227%0.268SS..  trans-70120.3176.5-74.1-172.3-167.900108.7S59 R63 T82S59-E61 PolarHBondContact O-N 3.16Å; E61-R63 HydrophobicContact CB-CG 4.09Å; E61-R63 PolarHBondContact O-N 3.47Å; E61-R63 VanDerWaalsContact O-N 3.15Å; E61-R63 IonicContact OE1-NH2 2.8Å; E61-R63 IonicContact OE2-CZ 3.92Å; E61-R63 IonicContact OE2-NE 3.94Å; E61-R63 PolarHBondContact OE2-NE 3.39Å; E61-R63 IonicContact OE2-NH2 3.2Å; E61-R63 PolarHBondContact OE2-NH2 2.91Å; E61-T82 HydrophobicContact CB-CG2 4.26Å; E61-T82 VanDerWaalsContact OE2-CG2 3.23Å; E61-T82 WeakPolarHBondContact OE2-CG2 3.48Å
62V90.5Very high74.8Confident5 Ų550.6 Ų50.63%0.0327%0.267CS..  trans-69.2111.1172.81740000108.6D60 F64 L83 D498 Y501D60-V62 PolarHBondContact O-N 3.46Å; V62-F64 HydrophobicContact CG1-CD2 4.21Å; V62-F64 HydrophobicContact CG1-CE2 3.43Å; V62-F64 VanDerWaalsContact CG1-CE2 3.43Å; V62-F64 HydrophobicContact CG1-CZ 4.11Å; V62-L83 HydrophobicContact CB-CB 3.79Å; V62-L83 HydrophobicContact CB-CD2 3.85Å; V62-L83 HydrophobicContact CB-CG 4.49Å; V62-L83 HydrophobicContact CG1-CB 4.22Å; V62-L83 HydrophobicContact CG1-CD2 4.24Å; V62-L83 HydrophobicContact CG2-CD2 4.09Å; V62-L83 WeakPolarHBondContact O-CB 3.47Å; V62-L83 PolarHBondContact O-N 3.2Å; V62-D498 HydrophobicContact CG2-CB 3.56Å; V62-Y501 HydrophobicContact CG2-CD2 4.06Å
63R93.2Very high75.2Confident14 Ų1454.9 Ų54.95%0.05330%0.3CS..EExtended strand (participates in β ladder)trans-128.8141.1-175.7-63.1179.2-166.9139.2-13.1111.9L24 E61 L80 V81 T82 L142L24-R63 HydrophobicContact CB-CB 4.2Å; L24-R63 HydrophobicContact CD1-CB 3.99Å; L24-R63 HydrophobicContact CG-CB 4.46Å; L24-R63 PolarHBondContact N-O 3.09Å; E61-R63 HydrophobicContact CB-CG 4.09Å; E61-R63 PolarHBondContact O-N 3.47Å; E61-R63 VanDerWaalsContact O-N 3.15Å; E61-R63 IonicContact OE1-NH2 2.8Å; E61-R63 IonicContact OE2-CZ 3.92Å; E61-R63 IonicContact OE2-NE 3.94Å; E61-R63 PolarHBondContact OE2-NE 3.39Å; E61-R63 IonicContact OE2-NH2 3.2Å; E61-R63 PolarHBondContact OE2-NH2 2.91Å; R63-L80 HydrophobicContact CB-CD1 4.13Å; R63-V81 CarbonylContact C-O 3.57Å; R63-V81 WeakPolarHBondContact CA-O 3.45Å; R63-T82 HydrophobicContact CG-CG2 3.94Å; R63-L142 PolarHBondContact NH2-O 3.09Å
64F96Very high75.7Confident0 Ų060.4 Ų60.40%032%0.319CS..EExtended strand (participates in β ladder)trans-130.7146177.7-64.8-85.4000111L21 V22 V62 L80 V81 A503 F511 I513L21-F64 HydrophobicContact CD1-CB 3.86Å; L21-F64 HydrophobicContact CD1-CD1 4.02Å; L21-F64 HydrophobicContact CD1-CG 4.26Å; V22-F64 CarbonylContact O-C 3.51Å; V22-F64 WeakPolarHBondContact O-CA 3.25Å; V62-F64 HydrophobicContact CG1-CD2 4.21Å; V62-F64 HydrophobicContact CG1-CE2 3.43Å; V62-F64 VanDerWaalsContact CG1-CE2 3.43Å; V62-F64 HydrophobicContact CG1-CZ 4.11Å; F64-L80 WeakPolarHBondContact O-CA 3.27Å; F64-V81 PolarHBondContact N-O 3.37Å; F64-V81 PolarHBondContact O-N 2.9Å; F64-A503 HydrophobicContact CD1-CB 3.69Å; F64-A503 HydrophobicContact CD2-CB 3.85Å; F64-A503 HydrophobicContact CE1-CB 3.6Å; F64-A503 HydrophobicContact CE2-CB 3.74Å; F64-A503 HydrophobicContact CG-CB 3.82Å; F64-A503 HydrophobicContact CZ-CB 3.61Å; F64-F511 HydrophobicContact CB-CE2 3.95Å; F64-F511 HydrophobicContact CB-CZ 3.83Å; F64-F511 AromaticContact CD2-CZ 3.86Å; F64-F511 HydrophobicContact CD2-CZ 3.86Å; F64-F511 HydrophobicContact CG-CE2 4.31Å; F64-F511 AromaticContact CG-CZ 3.99Å; F64-F511 HydrophobicContact CG-CZ 3.99Å; F64-I513 HydrophobicContact CD2-CD1 3.79Å; F64-I513 HydrophobicContact CD2-CG1 4.46Å; F64-I513 HydrophobicContact CE2-CD1 3.75Å; F64-I513 HydrophobicContact CE2-CG1 4.3Å
65L96.2Very high77.1Confident0 Ų055.1 Ų55.10%030%0.296CS..EExtended strand (participates in β ladder)trans-108.1134.5169.5-68.3177000110.4L21 V22 L24 I78 T79 L80 L106 F116 I139L21-L65 WeakPolarHBondContact CA-O 3.44Å; V22-L65 HydrophobicContact CG2-CB 3.79Å; V22-L65 HydrophobicContact CG2-CD1 4.41Å; V22-L65 PolarHBondContact N-O 3.36Å; V22-L65 PolarHBondContact O-N 3.27Å; L24-L65 HydrophobicContact CD1-CD2 4.44Å; L24-L65 HydrophobicContact CD1-CG 4.07Å; L24-L65 HydrophobicContact CD2-CD1 3.78Å; L24-L65 HydrophobicContact CD2-CG 4.01Å; L24-L65 HydrophobicContact CG-CD1 4.47Å; L24-L65 HydrophobicContact CG-CG 4.16Å; L65-I78 HydrophobicContact CD2-CG2 3.88Å; L65-T79 WeakPolarHBondContact CA-O 3.37Å; L65-L80 HydrophobicContact CD2-CB 3.9Å; L65-L80 HydrophobicContact CD2-CD1 3.75Å; L65-L80 HydrophobicContact CD2-CG 4.45Å; L65-L80 HydrophobicContact CG-CD1 4.48Å; L65-L106 HydrophobicContact CB-CD1 4.21Å; L65-F116 HydrophobicContact CD1-CB 3.98Å; L65-F116 HydrophobicContact CD1-CD1 3.55Å; L65-F116 HydrophobicContact CD1-CD2 4.01Å; L65-F116 HydrophobicContact CD1-CE1 3.97Å; L65-F116 HydrophobicContact CD1-CE2 4.38Å; L65-F116 HydrophobicContact CD1-CG 3.56Å; L65-F116 HydrophobicContact CD1-CZ 4.35Å; L65-I139 HydrophobicContact CD1-CD1 4.02Å; L65-I139 HydrophobicContact CD2-CD1 4.24Å; L65-I139 HydrophobicContact CG-CD1 4.45Å
66V96.6Very high79.1Confident2 Ų253.3 Ų53.31%0.01228%0.283CS..EExtended strand (participates in β ladder)trans-118.2132.4173-174.60000109.2V14 V18 L21 I78 T79 I505 F511V14-V66 HydrophobicContact CG2-CG1 4.17Å; V18-V66 HydrophobicContact CB-CG1 3.87Å; V18-V66 HydrophobicContact CG1-CG1 3.58Å; L21-V66 HydrophobicContact CD1-CG2 3.95Å; V66-I78 CarbonylContact O-C 3.55Å; V66-I78 WeakPolarHBondContact O-CA 3.43Å; V66-T79 PolarHBondContact N-O 3.24Å; V66-T79 PolarHBondContact O-N 2.75Å; V66-I505 HydrophobicContact CG1-CD1 4.1Å; V66-I505 HydrophobicContact CG1-CG1 4.07Å; V66-I505 HydrophobicContact CG2-CD1 4.46Å; V66-F511 HydrophobicContact CG2-CD2 3.71Å; V66-F511 HydrophobicContact CG2-CE2 4.02Å
67G94.9Very high81.1Confident0 Ų052.8 Ų52.80%028%0.281CS..EExtended strand (participates in β ladder)trans-108.7126.217500000111.8C20C20-G67 PolarHBondContact O-N 3.13Å; C20-G67 VanDerWaalsContact SG-CA 3.54Å; C20-G67 PolarHBondContact SG-O 3.17Å; C20-G67 VanDerWaalsContact SG-O 3.42Å
68S92.6Very high83.4Confident2 Ų250.2 Ų50.21%0.01426%0.26CS..EExtended strand (participates in β ladder)trans-92.4154.3176.474.70000112.7Q15 S76 Q77 V103Q15-S68 PolarHBondContact OE1-OG 3.06Å; S68-S76 WeakPolarHBondContact O-CB 3.34Å; S68-Q77 PolarHBondContact N-O 3.32Å; S68-Q77 PolarHBondContact OG-N 2.84Å; S68-Q77 PolarHBondContact OG-O 2.96Å; S68-V103 WeakPolarHBondContact O-CB 3.48Å; S68-V103 PolarHBondContact O-N 3.31Å
69Q90.7Very high85.4Confident27 Ų2745.4 Ų45.413%0.12624%0.238CC..  trans-112.1114.6177-63.1178.3-15.300109.1N17 R19 E102 V103N17-Q69 HydrophobicContact CB-CB 4.37Å; N17-Q69 VanDerWaalsContact CB-O 3.25Å; N17-Q69 WeakPolarHBondContact CB-O 3.41Å; N17-Q69 VanDerWaalsContact O-CB 3.29Å; N17-Q69 WeakPolarHBondContact O-CB 3.5Å; N17-Q69 PolarHBondContact O-N 3.37Å; R19-Q69 VanDerWaalsContact CD-OE1 3.28Å; Q69-E102 HydrophobicContact CB-CB 4.21Å; Q69-E102 HydrophobicContact CB-CG 4.28Å; Q69-E102 HydrophobicContact CG-CB 4.33Å; Q69-V103 WeakPolarHBondContact CG-O 3.28Å; Q69-V103 PolarHBondContact NE2-O 3.32Å
70S86.3Confident87.5Confident14 Ų1444.6 Ų44.610%0.09823%0.231CC..  trans-125.4127.7174.2-166.20000111.3K72 G75 S76 E102S70-K72 PolarHBondContact O-N 2.76Å; S70-K72 PolarHBondContact OG-N 2.84Å; S70-G75 VanDerWaalsContact CB-O 3.26Å; S70-G75 WeakPolarHBondContact CB-O 3.4Å; S70-S76 PolarHBondContact N-OG 3.4Å; S70-E102 WeakPolarHBondContact O-CG 3.46Å
71L73.5Confident88.6Confident160 Ų16039.2 Ų39.284%0.83820%0.203SC*.SBendtrans-69.2-16.8167.7-72.6164.8000112.1E102L71-E102 WeakPolarHBondContact CD2-OE1 3.41Å; L71-E102 WeakPolarHBondContact CG-OE1 3.22Å
72K79Confident89Confident158 Ų15836.6 Ų36.669%0.68719%0.191SC*.SBendtrans-73.4135.3177.3-63.6-179.1-179.4176.90108.9S70 Q74 G75S70-K72 PolarHBondContact O-N 2.76Å; S70-K72 PolarHBondContact OG-N 2.84Å; K72-Q74 PolarHBondContact O-N 3.42Å; K72-G75 WeakPolarHBondContact O-CA 3.26Å; K72-G75 PolarHBondContact O-N 3.25Å
73P70.8Confident89Confident130 Ų13036.7 Ų36.784%0.84419%0.192SC*.THydrogen-bonded Turntrans-56.4129.6174.522.7-31.4000109.9G75P73-G75 PolarHBondContact O-N 3Å; P73-G75 VanDerWaalsContact O-N 3.15Å
74Q73Confident88.7Confident150 Ų15038.9 Ų38.970%0.70121%0.206SC*.THydrogen-bonded Turntrans54.224.4-172.9-56.8-160.9-100115.1K72K72-Q74 PolarHBondContact O-N 3.42Å
75G84Confident87.7Confident15 Ų1544.6 Ų44.616%0.15523%0.233CC..  trans-88.2-10.1-179.700000114.5Q15 S70 K72 P73Q15-G75 PolarHBondContact NE2-O 3.32Å; Q15-G75 PolarHBondContact OE1-O 3Å; S70-G75 VanDerWaalsContact CB-O 3.26Å; S70-G75 WeakPolarHBondContact CB-O 3.4Å; K72-G75 WeakPolarHBondContact O-CA 3.26Å; K72-G75 PolarHBondContact O-N 3.25Å; P73-G75 PolarHBondContact O-N 3Å; P73-G75 VanDerWaalsContact O-N 3.15Å
76S91.3Very high86.5Confident0 Ų049.1 Ų49.10%027%0.265CS..  trans-84.7149.3-179.3-59.30000110.8S68 S70 H98 G101S68-S76 WeakPolarHBondContact O-CB 3.34Å; S70-S76 PolarHBondContact N-OG 3.4Å; S76-H98 WeakPolarHBondContact O-CB 3.42Å; S76-H98 PolarHBondContact O-N 2.93Å; S76-G101 WeakPolarHBondContact CB-O 3.27Å; S76-G101 PolarHBondContact OG-O 3.34Å
77Q92.1Very high85.2Confident65 Ų6557.4 Ų57.430%0.30431%0.308SS..EExtended strand (participates in β ladder)trans-137.6148.6-171.4-62.7173.91.300109.3Q15 S68 T95 F96Q15-Q77 VanDerWaalsContact OE1-CB 3.29Å; Q15-Q77 VanDerWaalsContact OE1-OE1 3.1Å; S68-Q77 PolarHBondContact N-O 3.32Å; S68-Q77 PolarHBondContact OG-N 2.84Å; S68-Q77 PolarHBondContact OG-O 2.96Å; Q77-T95 HydrophobicContact CB-CG2 3.81Å; Q77-T95 HydrophobicContact CG-CG2 4.02Å; Q77-T95 VanDerWaalsContact OE1-CG2 3.32Å; Q77-F96 CarbonylContact C-O 3.57Å; Q77-F96 VanDerWaalsContact CA-O 3.29Å; Q77-F96 WeakPolarHBondContact CA-O 3.46Å
78I94.2Very high84.2Confident0 Ų063.7 Ų63.70%034%0.342CS..EExtended strand (participates in β ladder)trans-107.6121.4164.6-58.4-56.7000106.7L65 V66 F96 H98 V103 L106 F116 L173L65-I78 HydrophobicContact CD2-CG2 3.88Å; V66-I78 CarbonylContact O-C 3.55Å; V66-I78 WeakPolarHBondContact O-CA 3.43Å; I78-F96 PolarHBondContact N-O 3.32Å; I78-F96 WeakPolarHBondContact O-CD2 3.38Å; I78-F96 PolarHBondContact O-N 3.2Å; I78-H98 HydrophobicContact CG1-CB 4.28Å; I78-V103 HydrophobicContact CD1-CB 4.46Å; I78-V103 HydrophobicContact CD1-CG1 4.01Å; I78-V103 HydrophobicContact CD1-CG2 3.88Å; I78-L106 HydrophobicContact CD1-CD1 4.38Å; I78-L106 HydrophobicContact CD1-CD2 3.87Å; I78-F116 HydrophobicContact CG1-CE2 4.38Å; I78-F116 HydrophobicContact CG1-CZ 4.34Å; I78-F116 HydrophobicContact CG2-CE2 4.4Å; I78-F116 HydrophobicContact CG2-CZ 4.06Å; I78-L173 HydrophobicContact CB-CD1 4.21Å; I78-L173 HydrophobicContact CG1-CD1 3.95Å
79T94.2Very high83.6Confident4 Ų466.4 Ų66.43%0.02536%0.355CS..EExtended strand (participates in β ladder)trans-107.4119.3176.1-58.60000109.3V14 L65 V66 V81 K93 Q94 T95V14-T79 HydrophobicContact CG1-CG2 3.8Å; L65-T79 WeakPolarHBondContact CA-O 3.37Å; V66-T79 PolarHBondContact N-O 3.24Å; V66-T79 PolarHBondContact O-N 2.75Å; T79-V81 HydrophobicContact CG2-CG2 4.06Å; T79-K93 HydrophobicContact CG2-CB 4.16Å; T79-Q94 CarbonylContact C-O 3.49Å; T79-Q94 WeakPolarHBondContact CA-O 3.45Å; T79-T95 PolarHBondContact OG1-OG1 2.88Å
80L94.2Very high83.4Confident9 Ų970.2 Ų70.25%0.04738%0.377CS..EExtended strand (participates in β ladder)trans-84125.6166.2176.268.1000108.5L24 R63 F64 L65 K93 Q94 F96 I139L24-L80 HydrophobicContact CD1-CD1 3.61Å; R63-L80 HydrophobicContact CB-CD1 4.13Å; F64-L80 WeakPolarHBondContact O-CA 3.27Å; L65-L80 HydrophobicContact CD2-CB 3.9Å; L65-L80 HydrophobicContact CD2-CD1 3.75Å; L65-L80 HydrophobicContact CD2-CG 4.45Å; L65-L80 HydrophobicContact CG-CD1 4.48Å; L80-K93 CarbonylContact O-C 3.59Å; L80-K93 WeakPolarHBondContact O-CA 3.29Å; L80-Q94 HydrophobicContact CB-CB 4.41Å; L80-Q94 PolarHBondContact N-O 3.17Å; L80-Q94 PolarHBondContact O-N 2.84Å; L80-F96 HydrophobicContact CB-CE2 3.91Å; L80-I139 HydrophobicContact CD2-CG2 4.2Å
81V94Very high83.6Confident0 Ų070.2 Ų70.20%038%0.376CS..EExtended strand (participates in β ladder)trans-115.7123.9172.8-173.50000108.3V12 V14 R63 F64 T79 L91 K92 F511V12-V81 HydrophobicContact CG1-CG1 3.94Å; V12-V81 HydrophobicContact CG1-CG2 4.14Å; V14-V81 HydrophobicContact CG1-CG2 4.39Å; R63-V81 CarbonylContact C-O 3.57Å; R63-V81 WeakPolarHBondContact CA-O 3.45Å; F64-V81 PolarHBondContact N-O 3.37Å; F64-V81 PolarHBondContact O-N 2.9Å; T79-V81 HydrophobicContact CG2-CG2 4.06Å; V81-L91 HydrophobicContact CG1-CB 4.08Å; V81-L91 HydrophobicContact CG1-CD1 4.41Å; V81-L91 HydrophobicContact CG1-CD2 4.28Å; V81-K92 WeakPolarHBondContact CA-O 3.27Å; V81-F511 HydrophobicContact CB-CD1 4.39Å; V81-F511 HydrophobicContact CB-CE1 3.84Å; V81-F511 HydrophobicContact CB-CZ 4.02Å; V81-F511 HydrophobicContact CG1-CD1 3.98Å; V81-F511 HydrophobicContact CG1-CE1 3.45Å; V81-F511 VanDerWaalsContact CG1-CE1 3.45Å; V81-F511 HydrophobicContact CG1-CZ 4.1Å; V81-F511 HydrophobicContact CG2-CD1 4.23Å; V81-F511 HydrophobicContact CG2-CE1 4.15Å; V81-F511 HydrophobicContact CG2-CG 4.46Å; V81-F511 HydrophobicContact CG2-CZ 4.38Å
82T91.8Very high84.4Confident13 Ų1368.2 Ų68.28%0.0836%0.36CS..EExtended strand (participates in β ladder)trans-113.4127.9179.1-58.60000109E61 R63 V84 K92E61-T82 HydrophobicContact CB-CG2 4.26Å; E61-T82 VanDerWaalsContact OE2-CG2 3.23Å; E61-T82 WeakPolarHBondContact OE2-CG2 3.48Å; R63-T82 HydrophobicContact CG-CG2 3.94Å; T82-V84 HydrophobicContact CG2-CG2 4.47Å; T82-K92 PolarHBondContact N-O 3.47Å; T82-K92 PolarHBondContact O-N 3.2Å
83L90.8Very high85Confident8 Ų866 Ų664%0.04235%0.351CS..EExtended strand (participates in β ladder)trans-74126169.4-168.974.2000109.2V62 E85 I89 L91 Y501 I513V62-L83 HydrophobicContact CB-CB 3.79Å; V62-L83 HydrophobicContact CB-CD2 3.85Å; V62-L83 HydrophobicContact CB-CG 4.49Å; V62-L83 HydrophobicContact CG1-CB 4.22Å; V62-L83 HydrophobicContact CG1-CD2 4.24Å; V62-L83 HydrophobicContact CG2-CD2 4.09Å; V62-L83 WeakPolarHBondContact O-CB 3.47Å; V62-L83 PolarHBondContact O-N 3.2Å; L83-E85 HydrophobicContact CD2-CG 4.14Å; L83-E85 HydrophobicContact CG-CG 4.36Å; L83-I89 HydrophobicContact CD1-CG2 3.27Å; L83-I89 HydrophobicContact CG-CG2 4.29Å; L83-L91 HydrophobicContact CD1-CD2 3.59Å; L83-Y501 HydrophobicContact CD2-CD1 4.13Å; L83-Y501 HydrophobicContact CD2-CD2 3.88Å; L83-Y501 HydrophobicContact CD2-CE1 3.92Å; L83-Y501 HydrophobicContact CD2-CE2 3.66Å; L83-Y501 HydrophobicContact CD2-CG 4.11Å; L83-I513 HydrophobicContact CB-CD1 4.47Å; L83-I513 HydrophobicContact CD1-CD1 4.1Å; L83-I513 HydrophobicContact CD1-CG2 4.21Å
84V85.9Confident85.9Confident60 Ų6062.6 Ų62.636%0.36432%0.323SS..EExtended strand (participates in β ladder)trans-114.2107.2173.5-177.30000107.9T82 S86 D90 K92T82-V84 HydrophobicContact CG2-CG2 4.47Å; V84-S86 PolarHBondContact O-N 2.85Å; V84-D90 PolarHBondContact N-O 3Å; V84-D90 PolarHBondContact O-N 3.17Å; V84-K92 HydrophobicContact CG2-CB 4.12Å
85E76.2Confident86.9Confident120 Ų12057.8 Ų57.856%0.56130%0.304SS*.EExtended strand (participates in β ladder)trans-84.9107.2174-62.9-166.4160.700109L83 Y501L83-E85 HydrophobicContact CD2-CG 4.14Å; L83-E85 HydrophobicContact CG-CG 4.36Å; E85-Y501 WeakPolarHBondContact OE1-CE2 3.37Å; E85-Y501 PolarHBondContact OE1-OH 3.27Å
86S70.2Confident87.3Confident95 Ų9557.1 Ų57.166%0.66430%0.297SS*.SBendtrans-119.7-101.3175.161.80000110.5V84 D88V84-S86 PolarHBondContact O-N 2.85Å; S86-D88 PolarHBondContact OG-O 2.95Å
87L69.7Low87.2Confident175 Ų17560.1 Ų60.192%0.91632%0.322SS*.SBendtrans-97.2-42.2167.2-118.675.8000111.2
88D73.8Confident87.1Confident133 Ų13357.1 Ų57.171%0.71131%0.308SS*.SBendtrans-112.8158.2172.4-69.6-47.1000109.2S86 D90S86-D88 PolarHBondContact OG-O 2.95Å; D88-D90 PolarHBondContact O-N 3.31Å
89I80.4Confident86.7Confident58 Ų5859.9 Ų59.930%0.29733%0.326SS..EExtended strand (participates in β ladder)trans-76.8104.3173.9-59.2178.1000108.4S10 L83 Y501S10-I89 WeakPolarHBondContact OG-CB 3.23Å; S10-I89 VanDerWaalsContact OG-CG2 3.26Å; S10-I89 WeakPolarHBondContact OG-CG2 3.19Å; S10-I89 PolarHBondContact OG-O 3.09Å; L83-I89 HydrophobicContact CD1-CG2 3.27Å; L83-I89 HydrophobicContact CG-CG2 4.29Å; I89-Y501 HydrophobicContact CD1-CE1 4.38Å
90D85.8Confident86.1Confident108 Ų10860.8 Ų60.858%0.57833%0.331SS*.EExtended strand (participates in β ladder)trans-107.7157.1175.5-163.214.8000111.7V84 D88V84-D90 PolarHBondContact N-O 3Å; V84-D90 PolarHBondContact O-N 3.17Å; D88-D90 PolarHBondContact O-N 3.31Å
91L91.1Very high85.7Confident14 Ų1461.4 Ų61.47%0.07334%0.339CS..EExtended strand (participates in β ladder)trans-120.6109-178.7-61-177.5000110.6V12 V81 L83 F511 I513V12-L91 HydrophobicContact CB-CB 4.23Å; V12-L91 HydrophobicContact CB-CD1 4.11Å; V12-L91 HydrophobicContact CG1-CB 4.23Å; V12-L91 HydrophobicContact CG1-CD1 3.93Å; V81-L91 HydrophobicContact CG1-CB 4.08Å; V81-L91 HydrophobicContact CG1-CD1 4.41Å; V81-L91 HydrophobicContact CG1-CD2 4.28Å; L83-L91 HydrophobicContact CD1-CD2 3.59Å; L91-F511 HydrophobicContact CD1-CD1 4.21Å; L91-F511 HydrophobicContact CD1-CE1 4.25Å; L91-I513 HydrophobicContact CD2-CD1 3.62Å; L91-I513 HydrophobicContact CD2-CG1 4.19Å
92K89.7Confident85.5Confident118 Ų11864 Ų6451%0.51335%0.351SS..EExtended strand (participates in β ladder)trans-83127.9170.8-173.2177.8180-178.70109.1V81 T82 V84V81-K92 WeakPolarHBondContact CA-O 3.27Å; T82-K92 PolarHBondContact N-O 3.47Å; T82-K92 PolarHBondContact O-N 3.2Å; V84-K92 HydrophobicContact CG2-CB 4.12Å
93K91.5Very high85.6Confident112 Ų11263.4 Ų63.449%0.48735%0.347SS..EExtended strand (participates in β ladder)trans-110.7138.2174.167.5174.5172.5-172.10112.2V12 A13 T79 L80V12-K93 HydrophobicContact CG2-CD 3.81Å; V12-K93 HydrophobicContact CG2-CG 4.41Å; A13-K93 PolarHBondContact O-NZ 3.07Å; T79-K93 HydrophobicContact CG2-CB 4.16Å; L80-K93 CarbonylContact O-C 3.59Å; L80-K93 WeakPolarHBondContact O-CA 3.29Å
94Q91Very high85.7Confident58 Ų5865.5 Ų65.527%0.27136%0.36SS..EExtended strand (participates in β ladder)trans-126.9126.1168.5-174.3178.17.700108.8T79 L80 F96T79-Q94 CarbonylContact C-O 3.49Å; T79-Q94 WeakPolarHBondContact CA-O 3.45Å; L80-Q94 HydrophobicContact CB-CB 4.41Å; L80-Q94 PolarHBondContact N-O 3.17Å; L80-Q94 PolarHBondContact O-N 2.84Å; Q94-F96 HydrophobicContact CB-CE2 4.43Å; Q94-F96 HydrophobicContact CB-CZ 4.41Å; Q94-F96 HydrophobicContact CG-CE1 4.07Å; Q94-F96 HydrophobicContact CG-CE2 4.04Å; Q94-F96 HydrophobicContact CG-CZ 3.65Å
95T92.2Very high86.1Confident49 Ų4963.9 Ų63.930%0.30135%0.352SS..EExtended strand (participates in β ladder)trans-111.6129.7-176.3-62.50000110.4Q77 T79Q77-T95 HydrophobicContact CB-CG2 3.81Å; Q77-T95 HydrophobicContact CG-CG2 4.02Å; Q77-T95 VanDerWaalsContact OE1-CG2 3.32Å; T79-T95 PolarHBondContact OG1-OG1 2.88Å
96F92.5Very high87.1Confident0 Ų058.6 Ų58.60%033%0.328CS..EExtended strand (participates in β ladder)trans-111.4136.9176.1-50.3-86000110.1Q77 I78 L80 Q94 H98 I139 P140 L173Q77-F96 CarbonylContact C-O 3.57Å; Q77-F96 VanDerWaalsContact CA-O 3.29Å; Q77-F96 WeakPolarHBondContact CA-O 3.46Å; I78-F96 PolarHBondContact N-O 3.32Å; I78-F96 WeakPolarHBondContact O-CD2 3.38Å; I78-F96 PolarHBondContact O-N 3.2Å; L80-F96 HydrophobicContact CB-CE2 3.91Å; Q94-F96 HydrophobicContact CB-CE2 4.43Å; Q94-F96 HydrophobicContact CB-CZ 4.41Å; Q94-F96 HydrophobicContact CG-CE1 4.07Å; Q94-F96 HydrophobicContact CG-CE2 4.04Å; Q94-F96 HydrophobicContact CG-CZ 3.65Å; F96-H98 PolarHBondContact O-N 3.08Å; F96-I139 HydrophobicContact CE2-CG2 4.32Å; F96-I139 HydrophobicContact CZ-CG2 4.09Å; F96-P140 HydrophobicContact CE1-CG 3.67Å; F96-P140 HydrophobicContact CZ-CG 4.26Å; F96-L173 HydrophobicContact CB-CD1 4.09Å; F96-L173 HydrophobicContact CB-CD2 3.99Å; F96-L173 HydrophobicContact CB-CG 3.64Å; F96-L173 HydrophobicContact CD1-CD2 4.07Å; F96-L173 HydrophobicContact CD1-CG 4.28Å; F96-L173 HydrophobicContact CD2-CD2 3.87Å; F96-L173 HydrophobicContact CD2-CG 4.48Å; F96-L173 HydrophobicContact CE2-CD2 4.36Å; F96-L173 HydrophobicContact CG-CD2 3.7Å; F96-L173 HydrophobicContact CG-CG 3.9Å
97A90.4Very high88.3Confident64 Ų6454.6 Ų54.653%0.52930%0.299SS..EExtended strand (participates in β ladder)trans-69.6129.4171.400000109.8
98H90.2Very high89.5Confident1 Ų147 Ų471%0.00526%0.26CS..  trans-94.1122.1174.2-169-86.7000109.9S76 I78 F96 N100 V103 S118S76-H98 WeakPolarHBondContact O-CB 3.42Å; S76-H98 PolarHBondContact O-N 2.93Å; I78-H98 HydrophobicContact CG1-CB 4.28Å; F96-H98 PolarHBondContact O-N 3.08Å; H98-N100 VanDerWaalsContact C-N 3.3Å; H98-N100 PolarHBondContact CE1-O 3.31Å; H98-N100 VanDerWaalsContact CE1-O 3.27Å; H98-N100 PolarHBondContact ND1-N 3.07Å; H98-N100 VanDerWaalsContact ND1-N 3.16Å; H98-N100 PolarHBondContact ND1-O 3.39Å; H98-N100 PolarHBondContact O-N 3.46Å; H98-V103 HydrophobicContact CB-CG2 4.16Å; H98-S118 PolarHBondContact NE2-OG 2.85Å
99P84.5Confident90.4Very high59 Ų5940.8 Ų40.838%0.38323%0.227SC..SBendtrans-76.3-12.4-171.425.6-30.1000114.4W137P99-W137 HydrophobicContact CG-CH2 3.39Å; P99-W137 HydrophobicContact CG-CZ2 4.01Å; P99-W137 HydrophobicContact CG-CZ3 4.25Å
100N81.3Confident90.7Very high23 Ų2339 Ų3912%0.12322%0.22CC..SBendtrans-119.4104.3-172-59.584000112H98 S120 R135H98-N100 VanDerWaalsContact C-N 3.3Å; H98-N100 PolarHBondContact CE1-O 3.31Å; H98-N100 VanDerWaalsContact CE1-O 3.27Å; H98-N100 PolarHBondContact ND1-N 3.07Å; H98-N100 VanDerWaalsContact ND1-N 3.16Å; H98-N100 PolarHBondContact ND1-O 3.39Å; H98-N100 PolarHBondContact O-N 3.46Å; N100-S120 WeakPolarHBondContact CB-OG 3.21Å; N100-S120 WeakPolarHBondContact O-CB 3.11Å; N100-R135 VanDerWaalsContact ND2-CZ 3.3Å; N100-R135 PolarHBondContact ND2-NH1 3.35Å; N100-R135 VanDerWaalsContact OD1-CZ 3.3Å; N100-R135 PolarHBondContact OD1-NH1 3.42Å
101G85.7Confident90.8Very high21 Ų2134.8 Ų34.822%0.21620%0.199CC..SBendtrans45.5-147.9162.600000115.6S76 A121S76-G101 WeakPolarHBondContact CB-O 3.27Å; S76-G101 PolarHBondContact OG-O 3.34Å; G101-A121 CarbonylContact C-O 3.53Å; G101-A121 WeakPolarHBondContact CA-O 3.27Å
102E91.1Very high90.6Very high55 Ų5537.2 Ų37.226%0.25721%0.209SC..EExtended strand (participates in β ladder)trans-83.1132.3176-67.8175.1-158.700111.4Q69 S70 L71 T104 S120 A121Q69-E102 HydrophobicContact CB-CB 4.21Å; Q69-E102 HydrophobicContact CB-CG 4.28Å; Q69-E102 HydrophobicContact CG-CB 4.33Å; S70-E102 WeakPolarHBondContact O-CG 3.46Å; L71-E102 WeakPolarHBondContact CD2-OE1 3.41Å; L71-E102 WeakPolarHBondContact CG-OE1 3.22Å; E102-T104 PolarHBondContact O-N 3.22Å; E102-S120 CarbonylContact O-C 3.54Å; E102-S120 WeakPolarHBondContact O-CA 3.36Å; E102-S120 WeakPolarHBondContact O-CB 3.35Å; E102-A121 PolarHBondContact N-O 2.8Å; E102-A121 PolarHBondContact O-N 3.23Å
103V93.6Very high90.5Very high0 Ų032 Ų320%019%0.188CC..EExtended strand (participates in β ladder)trans-80107.3174.3-175.50000109.7S68 Q69 I78 H98 L106S68-V103 WeakPolarHBondContact O-CB 3.48Å; S68-V103 PolarHBondContact O-N 3.31Å; Q69-V103 WeakPolarHBondContact CG-O 3.28Å; Q69-V103 PolarHBondContact NE2-O 3.32Å; I78-V103 HydrophobicContact CD1-CB 4.46Å; I78-V103 HydrophobicContact CD1-CG1 4.01Å; I78-V103 HydrophobicContact CD1-CG2 3.88Å; H98-V103 HydrophobicContact CB-CG2 4.16Å; V103-L106 HydrophobicContact CG1-CD2 3.94Å; V103-L106 HydrophobicContact CG1-CG 4.16Å
104T92.4Very high90.3Very high52 Ų5227.9 Ų27.932%0.31917%0.171SC..EExtended strand (participates in β ladder)trans-90.7-27.7-175.960.70000113.7E102 V119 A121E102-T104 PolarHBondContact O-N 3.22Å; T104-V119 PolarHBondContact N-O 2.92Å; T104-V119 PolarHBondContact OG1-O 3.12Å; T104-A121 HydrophobicContact CG2-CB 3.87Å
105S94.6Very high90.3Very high26 Ų2625.1 Ų25.118%0.18216%0.158CC..EExtended strand (participates in β ladder)trans-156.1149179.8-166.50000110.6S118 V119S105-S118 WeakPolarHBondContact O-CA 3.33Å; S105-V119 PolarHBondContact N-O 2.88Å; S105-V119 PolarHBondContact O-N 3.19Å
106L96.6Very high90.5Very high10 Ų1022.8 Ų22.85%0.05214%0.144CC..EExtended strand (participates in β ladder)trans-121.1144.9168-66.4173.2000109.1C20 V22 L65 I78 V103 F116 I117C20-L106 HydrophobicContact CB-CB 4.48Å; C20-L106 HydrophobicContact CB-CG 4.33Å; V22-L106 HydrophobicContact CG1-CB 3.93Å; V22-L106 WeakPolarHBondContact CG1-O 3.5Å; V22-L106 HydrophobicContact CG2-CB 3.88Å; V22-L106 HydrophobicContact CG2-CD1 4.32Å; L65-L106 HydrophobicContact CB-CD1 4.21Å; I78-L106 HydrophobicContact CD1-CD1 4.38Å; I78-L106 HydrophobicContact CD1-CD2 3.87Å; V103-L106 HydrophobicContact CG1-CD2 3.94Å; V103-L106 HydrophobicContact CG1-CG 4.16Å; L106-F116 HydrophobicContact CD2-CD2 3.79Å; L106-F116 HydrophobicContact CD2-CE2 3.79Å; L106-I117 CarbonylContact C-O 3.52Å; L106-I117 WeakPolarHBondContact CA-O 3.48Å
107V96.3Very high90.7Very high11 Ų1122.8 Ų22.87%0.06714%0.144CC..EExtended strand (participates in β ladder)trans-139.8126.2177.8-178.80000108.6F116 I117 I190 S192V107-F116 CarbonylContact O-C 3.5Å; V107-F116 WeakPolarHBondContact O-CA 3.42Å; V107-I117 HydrophobicContact CB-CB 4.29Å; V107-I117 PolarHBondContact N-O 3.26Å; V107-I117 PolarHBondContact O-N 3.07Å; V107-I190 HydrophobicContact CG2-CB 4.23Å; V107-I190 HydrophobicContact CG2-CG2 4.29Å; V107-I190 WeakPolarHBondContact CG2-O 3.46Å; V107-S192 WeakPolarHBondContact CG1-OG 3.5Å
108T94.7Very high90.9Very high16 Ų1619.8 Ų19.810%0.09812%0.119CC..EExtended strand (participates in β ladder)trans-94.1156.5175.551.90000110.8V22 G23 L24 Y25 F116 S192V22-T108 HydrophobicContact CB-CG2 3.79Å; V22-T108 HydrophobicContact CG2-CG2 3.56Å; G23-T108 WeakPolarHBondContact O-CG2 3.46Å; L24-T108 HydrophobicContact CD2-CG2 3.78Å; Y25-T108 WeakPolarHBondContact CE2-OG1 3.05Å; T108-F116 HydrophobicContact CG2-CB 4.49Å; T108-S192 WeakPolarHBondContact O-CB 3.36Å; T108-S192 PolarHBondContact O-OG 3.07Å
109L92.5Very high91.1Very high2 Ų219.9 Ų19.91%0.0112%0.119CC..EExtended strand (participates in β ladder)trans-116.6118.9178.6-61.290.6000109.1S111 K112 I117 L136 L201 Y243L109-S111 PolarHBondContact O-N 3.23Å; L109-K112 HydrophobicContact CB-CB 4.26Å; L109-K112 CarbonylContact O-C 3.55Å; L109-K112 PolarHBondContact O-N 3.28Å; L109-K112 VanDerWaalsContact O-N 3.08Å; L109-I117 HydrophobicContact CD1-CD1 4.07Å; L109-I117 HydrophobicContact CD1-CG1 4.11Å; L109-L136 HydrophobicContact CD1-CD1 3.83Å; L109-L201 HydrophobicContact CD2-CD2 4.3Å; L109-Y243 WeakPolarHBondContact CD2-OH 3.44Å
110A88Confident91.5Very high19 Ų1917.1 Ų17.116%0.15710%0.101CC..THydrogen-bonded Turntrans-59.5-30.7176.700000112.1Y25Y25-A110 HydrophobicContact CD1-CB 4.49Å; Y25-A110 HydrophobicContact CD2-CB 4.41Å; Y25-A110 HydrophobicContact CE1-CB 4.18Å; Y25-A110 HydrophobicContact CE2-CB 4.09Å
111S86.7Confident92Very high20 Ų2016.5 Ų16.514%0.1410%0.1CC..THydrogen-bonded Turntrans-80.4-14.2178.471.70000115L109 S196 S199L109-S111 PolarHBondContact O-N 3.23Å; S111-S196 WeakPolarHBondContact CA-O 3.29Å; S111-S196 WeakPolarHBondContact CB-O 3.39Å; S111-S199 WeakPolarHBondContact OG-CB 3.28Å
112K88.1Confident92Very high65 Ų6517.5 Ų17.528%0.28310%0.104SC..EExtended strand (participates in β ladder)trans-140.776.4-178.9-66.5-174.3-178.4177.90108.3L109 D114 C115L109-K112 HydrophobicContact CB-CB 4.26Å; L109-K112 CarbonylContact O-C 3.55Å; L109-K112 PolarHBondContact O-N 3.28Å; L109-K112 VanDerWaalsContact O-N 3.08Å; K112-D114 PolarHBondContact O-N 2.82Å; K112-C115 HydrophobicContact CB-CB 3.83Å; K112-C115 WeakPolarHBondContact O-CB 3.44Å; K112-C115 PolarHBondContact O-N 3.05Å
113P86Confident91.6Very high9 Ų921.8 Ų21.86%0.05812%0.118CC..EExtended strand (participates in β ladder)trans-69.5-17.7-170.333.7-41.2000113.3G26 L28 C115G26-P113 WeakPolarHBondContact O-CB 3.27Å; L28-P113 HydrophobicContact CB-CG 4.42Å; L28-P113 HydrophobicContact CD1-CG 4.16Å; L28-P113 HydrophobicContact CG-CG 3.65Å; P113-C115 VanDerWaalsContact C-N 3.28Å
114D86.9Confident90.9Very high25 Ų2523.3 Ų23.313%0.13413%0.129CC..EExtended strand (participates in β ladder)trans-79.1-6.9170.568.6-36.6000113.6K112 R138 I139K112-D114 PolarHBondContact O-N 2.82Å; D114-R138 IonicContact OD2-CZ 3.42Å; D114-R138 IonicContact OD2-NE 2.87Å; D114-R138 PolarHBondContact OD2-NE 2.69Å; D114-R138 IonicContact OD2-NH2 3.05Å; D114-R138 PolarHBondContact OD2-NH2 2.85Å; D114-I139 PolarHBondContact O-N 3.28Å
115C92.3Very high90.1Very high1 Ų127.9 Ų27.91%0.00715%0.151CC..EExtended strand (participates in β ladder)trans-119.9151-172.7-61.50000112.7K112 P113 L136 W137K112-C115 HydrophobicContact CB-CB 3.83Å; K112-C115 WeakPolarHBondContact O-CB 3.44Å; K112-C115 PolarHBondContact O-N 3.05Å; P113-C115 VanDerWaalsContact C-N 3.28Å; C115-L136 HydrophobicContact CB-CD1 4.05Å; C115-W137 CarbonylContact C-O 3.57Å; C115-W137 WeakPolarHBondContact CA-O 3.41Å; C115-W137 WeakPolarHBondContact CB-O 3.08Å
116F95.3Very high89.3Confident0 Ų035.5 Ų35.50%018%0.184CC..EExtended strand (participates in β ladder)trans-147.2158.617271.3-81.5000111.3L65 I78 L106 V107 T108 W137 I139 L173L65-F116 HydrophobicContact CD1-CB 3.98Å; L65-F116 HydrophobicContact CD1-CD1 3.55Å; L65-F116 HydrophobicContact CD1-CD2 4.01Å; L65-F116 HydrophobicContact CD1-CE1 3.97Å; L65-F116 HydrophobicContact CD1-CE2 4.38Å; L65-F116 HydrophobicContact CD1-CG 3.56Å; L65-F116 HydrophobicContact CD1-CZ 4.35Å; I78-F116 HydrophobicContact CG1-CE2 4.38Å; I78-F116 HydrophobicContact CG1-CZ 4.34Å; I78-F116 HydrophobicContact CG2-CE2 4.4Å; I78-F116 HydrophobicContact CG2-CZ 4.06Å; L106-F116 HydrophobicContact CD2-CD2 3.79Å; L106-F116 HydrophobicContact CD2-CE2 3.79Å; V107-F116 CarbonylContact O-C 3.5Å; V107-F116 WeakPolarHBondContact O-CA 3.42Å; T108-F116 HydrophobicContact CG2-CB 4.49Å; F116-W137 HydrophobicContact CD1-CB 4.15Å; F116-W137 HydrophobicContact CE1-CB 3.66Å; F116-W137 HydrophobicContact CE1-CG 4.48Å; F116-W137 HydrophobicContact CE2-CB 4.24Å; F116-W137 AromaticContact CE2-CD1 3.98Å; F116-W137 HydrophobicContact CE2-CG 4.3Å; F116-W137 HydrophobicContact CZ-CB 3.72Å; F116-W137 HydrophobicContact CZ-CG 4.05Å; F116-W137 PolarHBondContact N-O 2.82Å; F116-W137 PolarHBondContact O-N 2.89Å; F116-I139 HydrophobicContact CD1-CD1 4.08Å; F116-I139 HydrophobicContact CD1-CG1 3.71Å; F116-I139 HydrophobicContact CE1-CD1 4.4Å; F116-I139 HydrophobicContact CE1-CG1 3.67Å; F116-L173 HydrophobicContact CE1-CD2 3.88Å; F116-L173 HydrophobicContact CZ-CD1 3.85Å; F116-L173 HydrophobicContact CZ-CD2 3.92Å
117I96.6Very high88.2Confident0 Ų042.1 Ų42.10%021%0.209CC..EExtended strand (participates in β ladder)trans-104.5133.6174.3-64.3158.5000108.4L106 V107 L109 A134 R135 L136 L179 L201L106-I117 CarbonylContact C-O 3.52Å; L106-I117 WeakPolarHBondContact CA-O 3.48Å; V107-I117 HydrophobicContact CB-CB 4.29Å; V107-I117 PolarHBondContact N-O 3.26Å; V107-I117 PolarHBondContact O-N 3.07Å; L109-I117 HydrophobicContact CD1-CD1 4.07Å; L109-I117 HydrophobicContact CD1-CG1 4.11Å; I117-A134 HydrophobicContact CG2-CB 4.39Å; I117-R135 VanDerWaalsContact CA-O 3.27Å; I117-R135 WeakPolarHBondContact CA-O 3.3Å; I117-L136 HydrophobicContact CD1-CD1 4.44Å; I117-L136 HydrophobicContact CG1-CB 4.42Å; I117-L136 HydrophobicContact CG1-CD1 3.66Å; I117-L179 HydrophobicContact CD1-CD1 4.41Å; I117-L179 HydrophobicContact CG2-CD1 4.13Å; I117-L201 HydrophobicContact CD1-CD1 3.43Å; I117-L201 VanDerWaalsContact CD1-CD1 3.43Å; I117-L201 HydrophobicContact CD1-CD2 3.54Å; I117-L201 HydrophobicContact CD1-CG 4.13Å
118S95.5Very high87.2Confident0 Ų046.6 Ų46.60%024%0.238CC..EExtended strand (participates in β ladder)trans-110.4137.2165.5560000110.5H98 S105 A134 R135 W137H98-S118 PolarHBondContact NE2-OG 2.85Å; S105-S118 WeakPolarHBondContact O-CA 3.33Å; S118-A134 VanDerWaalsContact O-CA 3.28Å; S118-A134 WeakPolarHBondContact O-CA 3.29Å; S118-R135 PolarHBondContact N-O 2.78Å; S118-R135 PolarHBondContact O-N 3.47Å; S118-W137 VanDerWaalsContact OG-CD1 3.25Å; S118-W137 PolarHBondContact OG-NE1 2.94Å
119V95.1Very high86.4Confident3 Ų349.3 Ų49.32%0.01825%0.249CC..EExtended strand (participates in β ladder)trans-104.1122169.1-173.50000107.5T104 S105 A134 I187 I190T104-V119 PolarHBondContact N-O 2.92Å; T104-V119 PolarHBondContact OG1-O 3.12Å; S105-V119 PolarHBondContact N-O 2.88Å; S105-V119 PolarHBondContact O-N 3.19Å; V119-A134 HydrophobicContact CG2-CB 4.17Å; V119-I187 HydrophobicContact CG1-CB 4.25Å; V119-I187 HydrophobicContact CG1-CG2 3.85Å; V119-I190 HydrophobicContact CG2-CB 4.38Å; V119-I190 HydrophobicContact CG2-CD1 3.67Å; V119-I190 HydrophobicContact CG2-CG1 3.97Å
120S92.7Very high85.9Confident1 Ų154.3 Ų54.31%0.00728%0.276CS..EExtended strand (participates in β ladder)trans-122.5150.9-178.655.30000112.9N100 E102 N132 C133N100-S120 WeakPolarHBondContact CB-OG 3.21Å; N100-S120 WeakPolarHBondContact O-CB 3.11Å; E102-S120 CarbonylContact O-C 3.54Å; E102-S120 WeakPolarHBondContact O-CA 3.36Å; E102-S120 WeakPolarHBondContact O-CB 3.35Å; S120-N132 CarbonylContact O-C 3.48Å; S120-N132 VanDerWaalsContact O-CA 3.26Å; S120-N132 WeakPolarHBondContact O-CA 3.28Å; S120-C133 PolarHBondContact N-O 3.39Å; S120-C133 PolarHBondContact O-N 2.8Å; S120-C133 PolarHBondContact OG-O 2.87Å; S120-C133 PolarHBondContact OG-SG 2.94Å
121A90.7Very high85.8Confident11 Ų1159.1 Ų59.19%0.09129%0.289CS..EExtended strand (participates in β ladder)trans-119.1126.1174.400000109.5G101 E102 T104 L130 R131G101-A121 CarbonylContact C-O 3.53Å; G101-A121 WeakPolarHBondContact CA-O 3.27Å; E102-A121 PolarHBondContact N-O 2.8Å; E102-A121 PolarHBondContact O-N 3.23Å; T104-A121 HydrophobicContact CG2-CB 3.87Å; A121-L130 HydrophobicContact CB-CD1 4.19Å; A121-R131 WeakPolarHBondContact CA-O 3.31Å
122S86.9Confident86Confident42 Ų4260.1 Ų60.129%0.29429%0.293SS..EExtended strand (participates in β ladder)trans-128136.5177.760.40000110.2R131S122-R131 PolarHBondContact N-O 3.08Å; S122-R131 PolarHBondContact O-N 2.84Å
123Y83Confident86.2Confident144 Ų14458.2 Ų58.257%0.56529%0.288SS*.EExtended strand (participates in β ladder)trans-90.4125171.8-174.1-99.1000109.9P128Y123-P128 HydrophobicContact CE2-CB 4.48Å; Y123-P128 WeakPolarHBondContact OH-CB 3.06Å
124S78Confident86.6Confident32 Ų3257.8 Ų57.822%0.22429%0.285CS..  trans-90.4133.8171.8-1790000110.2E126 R127 E129S124-E126 PolarHBondContact OG-N 3.36Å; S124-R127 CarbonylContact C-O 3.6Å; S124-R127 WeakPolarHBondContact CB-O 3.41Å; S124-R127 CarbonylContact O-C 3.41Å; S124-E129 PolarHBondContact N-O 2.73Å
125N75.6Confident87Confident148 Ų14859.7 Ų59.779%0.79129%0.291SS*.SBendtrans-80.8-29.5174-71.2-27000112.2R127N125-R127 VanDerWaalsContact C-N 3.33Å
126E77.9Confident87.2Confident186 Ų18659.7 Ų59.787%0.86929%0.291SS*.SBendtrans-70.7-32.9-177.2-63.6-178.5176.300112S124S124-E126 PolarHBondContact OG-N 3.36Å
127R73.3Confident87.1Confident150 Ų15060 Ų6057%0.56629%0.292SS*.SBendtrans-134119.6166.8-59-170.1-178.9175.8-3107S124 N125 E129S124-R127 CarbonylContact C-O 3.6Å; S124-R127 WeakPolarHBondContact CB-O 3.41Å; S124-R127 CarbonylContact O-C 3.41Å; N125-R127 VanDerWaalsContact C-N 3.33Å; R127-E129 HydrophobicContact CB-CG 3.71Å; R127-E129 VanDerWaalsContact CB-OE1 3.24Å; R127-E129 WeakPolarHBondContact CB-OE1 3.28Å; R127-E129 WeakPolarHBondContact CD-OE1 3.13Å; R127-E129 IonicContact NH1-OE1 3.73Å; R127-E129 PolarHBondContact O-N 2.98Å
128P75.8Confident86.9Confident105 Ų10565.5 Ų65.568%0.68231%0.312SS*.  trans-70.267.8-17631-36.4000111Y123Y123-P128 HydrophobicContact CE2-CB 4.48Å; Y123-P128 WeakPolarHBondContact OH-CB 3.06Å
129E77.9Confident86.6Confident72 Ų7265.7 Ų65.734%0.33631%0.314SS..  trans-123.6130.2-176.8-45.7170.1-172.600107.2S124 R127 R131S124-E129 PolarHBondContact N-O 2.73Å; R127-E129 HydrophobicContact CB-CG 3.71Å; R127-E129 VanDerWaalsContact CB-OE1 3.24Å; R127-E129 WeakPolarHBondContact CB-OE1 3.28Å; R127-E129 WeakPolarHBondContact CD-OE1 3.13Å; R127-E129 IonicContact NH1-OE1 3.73Å; R127-E129 PolarHBondContact O-N 2.98Å; E129-R131 HydrophobicContact CB-CG 4.49Å; E129-R131 PolarHBondContact O-N 3.3Å; E129-R131 IonicContact OE1-NH2 3.68Å; E129-R131 IonicContact OE2-CZ 3.79Å; E129-R131 IonicContact OE2-NE 2.75Å; E129-R131 PolarHBondContact OE2-NE 3.32Å; E129-R131 IonicContact OE2-NH2 3.93Å; E129-R131 PolarHBondContact OE2-NH2 2.81Å
130L82.2Confident86.1Confident108 Ų10866 Ų6657%0.56532%0.316SS*.EExtended strand (participates in β ladder)trans-75.3118.1164-174.169.7000108A121A121-L130 HydrophobicContact CB-CD1 4.19Å
131R85.3Confident85Confident119 Ų11970.1 Ų70.145%0.44934%0.337SS..EExtended strand (participates in β ladder)trans-105.3127.2176.4-69.5-170.4175.2-172-2110.5A121 S122 E129A121-R131 WeakPolarHBondContact CA-O 3.31Å; S122-R131 PolarHBondContact N-O 3.08Å; S122-R131 PolarHBondContact O-N 2.84Å; E129-R131 HydrophobicContact CB-CG 4.49Å; E129-R131 PolarHBondContact O-N 3.3Å; E129-R131 IonicContact OE1-NH2 3.68Å; E129-R131 IonicContact OE2-CZ 3.79Å; E129-R131 IonicContact OE2-NE 2.75Å; E129-R131 PolarHBondContact OE2-NE 3.32Å; E129-R131 IonicContact OE2-NH2 3.93Å; E129-R131 PolarHBondContact OE2-NH2 2.81Å
132N90.6Very high83.9Confident41 Ų4170.2 Ų70.222%0.21934%0.336CS..EExtended strand (participates in β ladder)trans-96.1141.6169-58.8107.2000110.1S120 S186 I187S120-N132 CarbonylContact O-C 3.48Å; S120-N132 VanDerWaalsContact O-CA 3.26Å; S120-N132 WeakPolarHBondContact O-CA 3.28Å; N132-S186 WeakPolarHBondContact OD1-CA 3.24Å; N132-S186 WeakPolarHBondContact OD1-CB 3.38Å; N132-I187 HydrophobicContact CB-CB 3.91Å; N132-I187 HydrophobicContact CB-CD1 4.21Å; N132-I187 HydrophobicContact CB-CG1 4.04Å; N132-I187 PolarHBondContact OD1-N 2.96Å
133C91.8Very high82.5Confident25 Ų2572.1 Ų72.117%0.16934%0.343CS..EExtended strand (participates in β ladder)trans-139.6146.2167.265.30000110.6S120S120-C133 PolarHBondContact N-O 3.39Å; S120-C133 PolarHBondContact O-N 2.8Å; S120-C133 PolarHBondContact OG-O 2.87Å; S120-C133 PolarHBondContact OG-SG 2.94Å
134A95.8Very high81.1Confident1 Ų171.5 Ų71.51%0.00835%0.346CS..EExtended strand (participates in β ladder)trans-119.8128.7175.200000109.3I117 S118 V119 L179 I187 I190I117-A134 HydrophobicContact CG2-CB 4.39Å; S118-A134 VanDerWaalsContact O-CA 3.28Å; S118-A134 WeakPolarHBondContact O-CA 3.29Å; V119-A134 HydrophobicContact CG2-CB 4.17Å; A134-L179 HydrophobicContact CB-CB 4.24Å; A134-L179 HydrophobicContact CB-CD1 3.76Å; A134-L179 HydrophobicContact CB-CG 4.15Å; A134-L179 PolarHBondContact O-N 2.82Å; A134-I187 HydrophobicContact CB-CD1 3.84Å; A134-I190 HydrophobicContact CB-CD1 3.5Å
135R95.3Very high79.4Confident64 Ų6472.5 Ų72.524%0.24235%0.35CS..EExtended strand (participates in β ladder)trans-131.1140.4-174.2-73.2179.7173.9-171.2-4.6110.5N100 I117 S118 W137 Y175 T177 T178N100-R135 VanDerWaalsContact ND2-CZ 3.3Å; N100-R135 PolarHBondContact ND2-NH1 3.35Å; N100-R135 VanDerWaalsContact OD1-CZ 3.3Å; N100-R135 PolarHBondContact OD1-NH1 3.42Å; I117-R135 VanDerWaalsContact CA-O 3.27Å; I117-R135 WeakPolarHBondContact CA-O 3.3Å; S118-R135 PolarHBondContact N-O 2.78Å; S118-R135 PolarHBondContact O-N 3.47Å; R135-W137 HydrophobicContact CB-CZ2 3.89Å; R135-W137 VanDerWaalsContact CB-NE1 3.33Å; R135-W137 HydrophobicContact CG-CZ2 4.38Å; R135-W137 PolarHBondContact O-NE1 2.65Å; R135-Y175 HydrophobicContact CG-CE2 4.25Å; R135-T177 WeakPolarHBondContact CA-O 3.44Å; R135-T178 HydrophobicContact CG-CG2 4.18Å; R135-T178 PolarHBondContact NE-OG1 2.75Å
136L95.2Very high77.7Confident1 Ų170 Ų701%0.00534%0.34CS..EExtended strand (participates in β ladder)trans-89.7128.5170.7-176.970.6000109.1L109 C115 I117 I176 T177 Y243L109-L136 HydrophobicContact CD1-CD1 3.83Å; C115-L136 HydrophobicContact CB-CD1 4.05Å; I117-L136 HydrophobicContact CD1-CD1 4.44Å; I117-L136 HydrophobicContact CG1-CB 4.42Å; I117-L136 HydrophobicContact CG1-CD1 3.66Å; L136-I176 HydrophobicContact CB-CB 4.39Å; L136-I176 HydrophobicContact CD2-CB 4.13Å; L136-I176 HydrophobicContact CD2-CD1 3.91Å; L136-I176 HydrophobicContact CD2-CG2 4.01Å; L136-I176 HydrophobicContact CG-CB 4.21Å; L136-I176 HydrophobicContact CG-CD1 3.95Å; L136-I176 HydrophobicContact CG-CG1 4.49Å; L136-I176 PolarHBondContact O-N 2.85Å; L136-I176 VanDerWaalsContact O-N 3.08Å; L136-T177 HydrophobicContact CB-CG2 4.03Å; L136-T177 HydrophobicContact CD2-CG2 4.29Å; L136-T177 PolarHBondContact N-O 2.9Å; L136-Y243 HydrophobicContact CD2-CE2 4.14Å
137W94.4Very high75.7Confident8 Ų865.9 Ų65.93%0.0332%0.324CS..EExtended strand (participates in β ladder)trans-121.7147.7-179.6-56.589.2000109.7P99 C115 F116 S118 R135 L173 D174 Y175P99-W137 HydrophobicContact CG-CH2 3.39Å; P99-W137 HydrophobicContact CG-CZ2 4.01Å; P99-W137 HydrophobicContact CG-CZ3 4.25Å; C115-W137 CarbonylContact C-O 3.57Å; C115-W137 WeakPolarHBondContact CA-O 3.41Å; C115-W137 WeakPolarHBondContact CB-O 3.08Å; F116-W137 HydrophobicContact CD1-CB 4.15Å; F116-W137 HydrophobicContact CE1-CB 3.66Å; F116-W137 HydrophobicContact CE1-CG 4.48Å; F116-W137 HydrophobicContact CE2-CB 4.24Å; F116-W137 AromaticContact CE2-CD1 3.98Å; F116-W137 HydrophobicContact CE2-CG 4.3Å; F116-W137 HydrophobicContact CZ-CB 3.72Å; F116-W137 HydrophobicContact CZ-CG 4.05Å; F116-W137 PolarHBondContact N-O 2.82Å; F116-W137 PolarHBondContact O-N 2.89Å; S118-W137 VanDerWaalsContact OG-CD1 3.25Å; S118-W137 PolarHBondContact OG-NE1 2.94Å; R135-W137 HydrophobicContact CB-CZ2 3.89Å; R135-W137 VanDerWaalsContact CB-NE1 3.33Å; R135-W137 HydrophobicContact CG-CZ2 4.38Å; R135-W137 PolarHBondContact O-NE1 2.65Å; W137-L173 HydrophobicContact CD2-CB 4.21Å; W137-L173 HydrophobicContact CD2-CD1 4.33Å; W137-L173 HydrophobicContact CE3-CB 3.53Å; W137-L173 HydrophobicContact CE3-CD1 4.35Å; W137-L173 HydrophobicContact CZ3-CB 4.12Å; W137-D174 CarbonylContact C-O 3.54Å; W137-D174 WeakPolarHBondContact CA-O 3.49Å; W137-Y175 HydrophobicContact CH2-CD2 4.21Å; W137-Y175 HydrophobicContact CZ3-CD2 4.26Å
138R91.7Very high73.9Confident114 Ų11464.7 Ų64.743%0.4333%0.328SS..EExtended strand (participates in β ladder)trans-104.6140.3163.8165.3177.1-70.4154.6-2.2108.8D114 D174 I176D114-R138 IonicContact OD2-CZ 3.42Å; D114-R138 IonicContact OD2-NE 2.87Å; D114-R138 PolarHBondContact OD2-NE 2.69Å; D114-R138 IonicContact OD2-NH2 3.05Å; D114-R138 PolarHBondContact OD2-NH2 2.85Å; R138-D174 HydrophobicContact CB-CB 3.89Å; R138-D174 HydrophobicContact CG-CB 4.3Å; R138-D174 PolarHBondContact N-O 2.91Å; R138-D174 PolarHBondContact O-N 2.73Å; R138-I176 HydrophobicContact CB-CD1 3.79Å; R138-I176 HydrophobicContact CB-CG1 4.15Å
139I90.2Very high71.8Confident5 Ų565.8 Ų65.83%0.02633%0.329CS..  trans-86.3122.5175.5-51.7163.2000107.3L24 L65 L80 F96 D114 F116 L142L24-I139 HydrophobicContact CD1-CD1 3.53Å; L24-I139 HydrophobicContact CD2-CD1 4.05Å; L24-I139 HydrophobicContact CG-CD1 4.48Å; L65-I139 HydrophobicContact CD1-CD1 4.02Å; L65-I139 HydrophobicContact CD2-CD1 4.24Å; L65-I139 HydrophobicContact CG-CD1 4.45Å; L80-I139 HydrophobicContact CD2-CG2 4.2Å; F96-I139 HydrophobicContact CE2-CG2 4.32Å; F96-I139 HydrophobicContact CZ-CG2 4.09Å; D114-I139 PolarHBondContact O-N 3.28Å; F116-I139 HydrophobicContact CD1-CD1 4.08Å; F116-I139 HydrophobicContact CD1-CG1 3.71Å; F116-I139 HydrophobicContact CE1-CD1 4.4Å; F116-I139 HydrophobicContact CE1-CG1 3.67Å; I139-L142 HydrophobicContact CB-CD1 3.44Å; I139-L142 VanDerWaalsContact CB-CD1 3.44Å; I139-L142 HydrophobicContact CD1-CD1 3.58Å; I139-L142 HydrophobicContact CG1-CD1 4.11Å; I139-L142 HydrophobicContact CG2-CD1 3.45Å; I139-L142 VanDerWaalsContact CG2-CD1 3.45Å
140P83.9Confident69.7Low10 Ų1066 Ų667%0.06534%0.343CS..THydrogen-bonded Turntrans-68.7151.3-179.130.4-36.8000111.3F96 L142F96-P140 HydrophobicContact CE1-CG 3.67Å; F96-P140 HydrophobicContact CZ-CG 4.26Å; P140-L142 PolarHBondContact O-N 2.68Å; P140-L142 VanDerWaalsContact O-N 3.08Å
141N70.7Confident67.2Low86 Ų8667.4 Ų67.446%0.4635%0.348SS..THydrogen-bonded Turntrans55.126.2169.4-58.214.3000115.8N143 E144N141-N143 PolarHBondContact O-N 2.92Å; N141-N143 VanDerWaalsContact O-N 3.15Å; N141-E144 HydrophobicContact CB-CB 4.35Å; N141-E144 HydrophobicContact CB-CG 4.29Å; N141-E144 VanDerWaalsContact CG-OE2 3.27Å; N141-E144 PolarHBondContact ND2-OE2 3.27Å; N141-E144 PolarHBondContact O-N 2.81Å
142L67.1Low64.6Low13 Ų1367.8 Ų67.87%0.06836%0.358CS..THydrogen-bonded Turntrans-62.3-23.3179.4-140112.4000113.8R63 I139 P140R63-L142 PolarHBondContact NH2-O 3.09Å; I139-L142 HydrophobicContact CB-CD1 3.44Å; I139-L142 VanDerWaalsContact CB-CD1 3.44Å; I139-L142 HydrophobicContact CD1-CD1 3.58Å; I139-L142 HydrophobicContact CG1-CD1 4.11Å; I139-L142 HydrophobicContact CG2-CD1 3.45Å; I139-L142 VanDerWaalsContact CG2-CD1 3.45Å; P140-L142 PolarHBondContact O-N 2.68Å; P140-L142 VanDerWaalsContact O-N 3.08Å
143N56.9Low61.7Low82 Ų8273.9 Ų73.944%0.43939%0.385SS..THydrogen-bonded Turntrans-103-5.3-176.6-66.9-1.1000113.4S27 N141 T145S27-N143 WeakPolarHBondContact CB-OD1 3.45Å; S27-N143 VanDerWaalsContact OG-CG 3.27Å; S27-N143 PolarHBondContact OG-ND2 2.83Å; S27-N143 PolarHBondContact OG-OD1 3.12Å; N141-N143 PolarHBondContact O-N 2.92Å; N141-N143 VanDerWaalsContact O-N 3.15Å; N143-T145 VanDerWaalsContact C-N 3.3Å; N143-T145 PolarHBondContact O-N 3.47Å
144E53.1Low58.9Low132 Ų13276.6 Ų76.662%0.61740%0.404SS*.  trans-76.587.8174.4-73.1-178.6174.700108.2N141 V146N141-E144 HydrophobicContact CB-CB 4.35Å; N141-E144 HydrophobicContact CB-CG 4.29Å; N141-E144 VanDerWaalsContact CG-OE2 3.27Å; N141-E144 PolarHBondContact ND2-OE2 3.27Å; N141-E144 PolarHBondContact O-N 2.81Å; E144-V146 PolarHBondContact O-N 2.78Å
145T42.4Very low55.5Low52 Ų5283 Ų8332%0.31944%0.439SS..  trans-54.5131.2162.751.80000108N143 L147N143-T145 VanDerWaalsContact C-N 3.3Å; N143-T145 PolarHBondContact O-N 3.47Å; T145-L147 PolarHBondContact O-N 2.98Å
146V39.6Very low52.4Low95 Ų9587.8 Ų87.858%0.57647%0.468SS*.THydrogen-bonded Turntrans-66.835.1-175-176.60000113.1E144 D148E144-V146 PolarHBondContact O-N 2.78Å; V146-D148 VanDerWaalsContact C-N 3.29Å; V146-D148 PolarHBondContact O-N 3.39Å
147L36.6Very low49.1Very low100 Ų10092.3 Ų92.352%0.52450%0.5SS..THydrogen-bonded Turntrans-79.6-7.3176.2-73173.4000113.7T145T145-L147 PolarHBondContact O-N 2.98Å
148D35Very low45.9Very low125 Ų125102 Ų10267%0.66854%0.542SS*.Hα-helixtrans-81.8-14.3176.9-82.7-10.6000114.7V146 I152V146-D148 VanDerWaalsContact C-N 3.29Å; V146-D148 PolarHBondContact O-N 3.39Å; D148-I152 VanDerWaalsContact O-CD1 3.3Å; D148-I152 WeakPolarHBondContact O-CD1 3.38Å; D148-I152 VanDerWaalsContact O-CG1 3.28Å; D148-I152 WeakPolarHBondContact O-CG1 3.48Å
149D33.2Very low42.9Very low129 Ų129101.4 Ų101.469%0.6956%0.555SS**Hα-helixtrans-80.2-18.1174.6-79.5-20.3000113.1
150A34Very low40Very low77 Ų77107.2 Ų107.264%0.63659%0.593SS**Hα-helixtrans-95-22.8-179.800000114.2
151M28.6Very low37.3Very low137 Ų137112.4 Ų112.468%0.67563%0.625SS**Hα-helixtrans-91-18.5179.5-82.8-153144.700114.4E153 S154M151-E153 PolarHBondContact O-N 3.45Å; M151-S154 PolarHBondContact O-N 3.39Å; M151-S154 PolarHBondContact O-OG 2.56Å
152I31.1Very low35.2Very low126 Ų126115.9 Ų115.965%0.64664%0.643SS**G310 helixtrans-68.6-22177.7-67.1172.9000112.1D148 S154D148-I152 VanDerWaalsContact O-CD1 3.3Å; D148-I152 WeakPolarHBondContact O-CD1 3.38Å; D148-I152 VanDerWaalsContact O-CG1 3.28Å; D148-I152 WeakPolarHBondContact O-CG1 3.48Å; I152-S154 VanDerWaalsContact C-N 3.34Å; I152-S154 PolarHBondContact O-N 2.62Å
153E30.2Very low33.3Very low169 Ų169122.4 Ų122.479%0.7968%0.678SS**G310 helixtrans-76.7-13.8176.8-70-155.5153.700114.7M151M151-E153 PolarHBondContact O-N 3.45Å
154S31.6Very low31.8Very low82 Ų82126 Ų12657%0.57370%0.697SS**G310 helixtrans-101.5-3.9-173.467.10000116.3M151 I152M151-S154 PolarHBondContact O-N 3.39Å; M151-S154 PolarHBondContact O-OG 2.56Å; I152-S154 VanDerWaalsContact C-N 3.34Å; I152-S154 PolarHBondContact O-N 2.62Å
155N26Very low30.6Very low137 Ų137126.8 Ų126.873%0.73371%0.706SS**  trans-116.638.3179.5-78.7-44.8000113.9S157N155-S157 PolarHBondContact O-N 2.93Å
156L28.8Very low30.1Very low163 Ų163129.5 Ų129.585%0.85373%0.727SS**  trans-77.170.1168-80.1157.3000111.2
157S25.9Very low30Very low97 Ų97130.2 Ų130.268%0.67874%0.736SS**  trans-150.677.9157.2630000111.4N155N155-S157 PolarHBondContact O-N 2.93Å
158K28.6Very low30.1Very low211 Ų211130.7 Ų130.792%0.91774%0.744SS**SBendtrans-166.3140.5149-102.2150.9-166.6-177.40110.6
159S27.1Very low30.8Very low101 Ų101129 Ų12971%0.70674%0.739SS**  trans-48.5160-173.146.30000117V161S159-V161 PolarHBondContact O-N 2.97Å
160P30.5Very low32.1Very low127 Ų127127.6 Ų127.683%0.82573%0.732SS**  trans-82117.2-166.333-31.7000111.7
161V27.3Very low34.1Very low120 Ų120128.2 Ų128.273%0.72772%0.724SS**  trans-134105157.3-176.80000106.1S159 N163S159-V161 PolarHBondContact O-N 2.97Å; V161-N163 PolarHBondContact O-N 3.29Å; V161-N163 VanDerWaalsContact O-N 3.14Å
162D25.7Very low36.8Very low159 Ų159124.9 Ų124.985%0.8571%0.714SS**  trans21.173.3161.8-58.2-25.7000117.7N164D162-N164 PolarHBondContact O-N 3.34Å
163N26.8Very low39.6Very low150 Ų150119.6 Ų119.680%0.80269%0.687SS**  trans-97.976.2166.3-88.5-8.7000110.6V161 N165V161-N163 PolarHBondContact O-N 3.29Å; V161-N163 VanDerWaalsContact O-N 3.14Å; N163-N165 PolarHBondContact O-N 3.37Å
164N26.6Very low42.5Very low157 Ų157115 Ų11584%0.8467%0.668SS**  trans-89.662.6157.4-84.8-14.5000109.2D162D162-N164 PolarHBondContact O-N 3.34Å
165N27.4Very low45.4Very low149 Ų149116.8 Ų116.880%0.79766%0.663SS**  trans-124.866.2164.4-83.9-10.3000107.9N163 S167N163-N165 PolarHBondContact O-N 3.37Å; N165-S167 VanDerWaalsContact C-N 3.31Å; N165-S167 PolarHBondContact O-N 3.29Å; N165-S167 VanDerWaalsContact O-N 3.17Å
166S31Very low48.5Very low109 Ų109112.3 Ų112.376%0.76264%0.639SS**  trans-69.4101150.247.60000105.7T168S166-T168 VanDerWaalsContact C-N 3.29Å; S166-T168 PolarHBondContact O-N 3.41Å
167S39.3Very low51.6Low110 Ų110104.8 Ų104.877%0.76960%0.599SS**  trans-59.995.1172.447.90000107.8N165N165-S167 VanDerWaalsContact C-N 3.31Å; N165-S167 PolarHBondContact O-N 3.29Å; N165-S167 VanDerWaalsContact O-N 3.17Å
168T37.1Very low54.8Low110 Ų110102.5 Ų102.568%0.67558%0.582SS**  trans-54.6123.9167.447.60000106.8S166 N170S166-T168 VanDerWaalsContact C-N 3.29Å; S166-T168 PolarHBondContact O-N 3.41Å; T168-N170 PolarHBondContact O-N 2.76Å; T168-N170 VanDerWaalsContact O-N 3.17Å
169P51.1Low58Low89 Ų8992.7 Ų92.758%0.57854%0.539SS*.  trans-55.5127.6-179.520.9-31.1000108.3N171P169-N171 VanDerWaalsContact C-N 3.31Å; P169-N171 PolarHBondContact O-N 2.97Å
170N59.4Low61.2Low100 Ų10089.7 Ų89.754%0.53552%0.517SS..  trans-62.594.9177.7-83-21000108.5T168 S172T168-N170 PolarHBondContact O-N 2.76Å; T168-N170 VanDerWaalsContact O-N 3.17Å; N170-S172 PolarHBondContact O-N 3.11Å
171N76.6Confident64.3Low90 Ų9083.9 Ų83.948%0.48148%0.479SS..  trans-83.323.8178.5-73.6-17.1000112.5P169P169-N171 VanDerWaalsContact C-N 3.31Å; P169-N171 PolarHBondContact O-N 2.97Å
172S85.5Confident67.2Low66 Ų6684.3 Ų84.346%0.46248%0.477SS..SBendtrans-112.113417755.90000110.3N170N170-S172 PolarHBondContact O-N 3.11Å
173L89.8Confident70.3Confident16 Ų1683.2 Ų83.28%0.08447%0.465CS..  trans-69.8142171-66.6165.5000110.7I78 F96 F116 W137 Y175I78-L173 HydrophobicContact CB-CD1 4.21Å; I78-L173 HydrophobicContact CG1-CD1 3.95Å; F96-L173 HydrophobicContact CB-CD1 4.09Å; F96-L173 HydrophobicContact CB-CD2 3.99Å; F96-L173 HydrophobicContact CB-CG 3.64Å; F96-L173 HydrophobicContact CD1-CD2 4.07Å; F96-L173 HydrophobicContact CD1-CG 4.28Å; F96-L173 HydrophobicContact CD2-CD2 3.87Å; F96-L173 HydrophobicContact CD2-CG 4.48Å; F96-L173 HydrophobicContact CE2-CD2 4.36Å; F96-L173 HydrophobicContact CG-CD2 3.7Å; F96-L173 HydrophobicContact CG-CG 3.9Å; F116-L173 HydrophobicContact CE1-CD2 3.88Å; F116-L173 HydrophobicContact CZ-CD1 3.85Å; F116-L173 HydrophobicContact CZ-CD2 3.92Å; W137-L173 HydrophobicContact CD2-CB 4.21Å; W137-L173 HydrophobicContact CD2-CD1 4.33Å; W137-L173 HydrophobicContact CE3-CB 3.53Å; W137-L173 HydrophobicContact CE3-CD1 4.35Å; W137-L173 HydrophobicContact CZ3-CB 4.12Å; L173-Y175 PolarHBondContact O-N 3.29Å
174D91Very high73.4Confident71 Ų7177.3 Ų77.338%0.3843%0.432SS..EExtended strand (participates in β ladder)trans-78.4113175.3-71.9-20.2000109.5W137 R138W137-D174 CarbonylContact C-O 3.54Å; W137-D174 WeakPolarHBondContact CA-O 3.49Å; R138-D174 HydrophobicContact CB-CB 3.89Å; R138-D174 HydrophobicContact CG-CB 4.3Å; R138-D174 PolarHBondContact N-O 2.91Å; R138-D174 PolarHBondContact O-N 2.73Å
175Y91.9Very high76.4Confident121 Ų12175.2 Ų75.248%0.47542%0.417SS..EExtended strand (participates in β ladder)trans-72.2127.1174171-97.8000110.5R135 W137 L173 T178R135-Y175 HydrophobicContact CG-CE2 4.25Å; W137-Y175 HydrophobicContact CH2-CD2 4.21Å; W137-Y175 HydrophobicContact CZ3-CD2 4.26Å; L173-Y175 PolarHBondContact O-N 3.29Å; Y175-T178 PolarHBondContact OH-N 2.8Å; Y175-T178 VanDerWaalsContact OH-N 3.16Å; Y175-T178 PolarHBondContact OH-OG1 3.36Å
176I91.2Very high79.4Confident43 Ų4369.7 Ų69.722%0.22139%0.389CS..EExtended strand (participates in β ladder)trans-102.9-65.1175.5-52.5-176.8000110.7L136 R138L136-I176 HydrophobicContact CB-CB 4.39Å; L136-I176 HydrophobicContact CD2-CB 4.13Å; L136-I176 HydrophobicContact CD2-CD1 3.91Å; L136-I176 HydrophobicContact CD2-CG2 4.01Å; L136-I176 HydrophobicContact CG-CB 4.21Å; L136-I176 HydrophobicContact CG-CD1 3.95Å; L136-I176 HydrophobicContact CG-CG1 4.49Å; L136-I176 PolarHBondContact O-N 2.85Å; L136-I176 VanDerWaalsContact O-N 3.08Å; R138-I176 HydrophobicContact CB-CD1 3.79Å; R138-I176 HydrophobicContact CB-CG1 4.15Å
177T93.4Very high82.4Confident4 Ų465 Ų653%0.02536%0.356CS..EExtended strand (participates in β ladder)trans-156.5160.3-176.4-171.10000111.4R135 L136 S241 D242 Y243R135-T177 WeakPolarHBondContact CA-O 3.44Å; L136-T177 HydrophobicContact CB-CG2 4.03Å; L136-T177 HydrophobicContact CD2-CG2 4.29Å; L136-T177 PolarHBondContact N-O 2.9Å; T177-S241 WeakPolarHBondContact CG2-O 3.25Å; T177-D242 WeakPolarHBondContact CB-OD1 3.22Å; T177-D242 PolarHBondContact OG1-OD1 3.37Å; T177-Y243 HydrophobicContact CG2-CD2 4.19Å
178T94.4Very high85Confident50 Ų5061.1 Ų61.131%0.30733%0.325SS..EExtended strand (participates in β ladder)trans-102.5131.1171.7-600000108.3R135 Y175R135-T178 HydrophobicContact CG-CG2 4.18Å; R135-T178 PolarHBondContact NE-OG1 2.75Å; Y175-T178 PolarHBondContact OH-N 2.8Å; Y175-T178 VanDerWaalsContact OH-N 3.16Å; Y175-T178 PolarHBondContact OH-OG1 3.36Å
179L95.8Very high87.7Confident5 Ų560 Ų603%0.02631%0.308CS..  trans-66138.2179.2-58.3-175.1000110.2I117 A134 L181 I190 L201 L232 Y243I117-L179 HydrophobicContact CD1-CD1 4.41Å; I117-L179 HydrophobicContact CG2-CD1 4.13Å; A134-L179 HydrophobicContact CB-CB 4.24Å; A134-L179 HydrophobicContact CB-CD1 3.76Å; A134-L179 HydrophobicContact CB-CG 4.15Å; A134-L179 PolarHBondContact O-N 2.82Å; L179-L181 HydrophobicContact CB-CD1 4.3Å; L179-L181 HydrophobicContact CB-CG 4.29Å; L179-L181 PolarHBondContact O-N 3.49Å; L179-I190 HydrophobicContact CD1-CD1 3.85Å; L179-L201 HydrophobicContact CD1-CD1 3.68Å; L179-L201 HydrophobicContact CD2-CD1 3.86Å; L179-L201 HydrophobicContact CG-CD1 4.46Å; L179-L232 HydrophobicContact CB-CD1 3.97Å; L179-L232 HydrophobicContact CD1-CD1 3.93Å; L179-L232 HydrophobicContact CD2-CD1 4.22Å; L179-L232 HydrophobicContact CG-CD1 4.27Å; L179-Y243 HydrophobicContact CD2-CD2 3.45Å; L179-Y243 VanDerWaalsContact CD2-CD2 3.45Å; L179-Y243 HydrophobicContact CD2-CE2 3.95Å; L179-Y243 HydrophobicContact CD2-CG 3.77Å
180P94.6Very high89.9Confident37 Ų3756.1 Ų56.124%0.2428%0.283CS..SBendtrans-77.260.5-173.336.5-42.6000112.1L232 Y243 I245P180-L232 HydrophobicContact CG-CD2 3.98Å; P180-Y243 WeakPolarHBondContact CG-O 3.04Å; P180-I245 HydrophobicContact CG-CG1 4.23Å; P180-I245 WeakPolarHBondContact O-CD1 3.42Å
181L94Very high91.7Very high5 Ų551.8 Ų51.83%0.02626%0.26CS..  trans-110.88.7-177.3-61.7177000112.9L179 K183 Y184 I187 I190 C203 V205 V230 L232L179-L181 HydrophobicContact CB-CD1 4.3Å; L179-L181 HydrophobicContact CB-CG 4.29Å; L179-L181 PolarHBondContact O-N 3.49Å; L181-K183 PolarHBondContact O-N 3.23Å; L181-Y184 HydrophobicContact CD2-CD2 4.26Å; L181-Y184 HydrophobicContact CD2-CE2 4.32Å; L181-Y184 PolarHBondContact O-N 3.47Å; L181-Y184 VanDerWaalsContact O-N 3.13Å; L181-I187 HydrophobicContact CB-CD1 3.91Å; L181-I187 HydrophobicContact CB-CG1 4.05Å; L181-I187 HydrophobicContact CD1-CD1 3.89Å; L181-I187 HydrophobicContact CD1-CG1 4.01Å; L181-I187 HydrophobicContact CD1-CG2 4.32Å; L181-I190 HydrophobicContact CD1-CD1 4.17Å; L181-C203 HydrophobicContact CD1-CB 4.16Å; L181-V205 HydrophobicContact CD1-CG1 4.33Å; L181-V205 HydrophobicContact CD2-CG1 4.22Å; L181-V230 HydrophobicContact CD2-CG1 4.04Å; L181-L232 HydrophobicContact CD1-CD1 4.35Å; L181-L232 HydrophobicContact CD2-CD1 4.23Å; L181-L232 HydrophobicContact CD2-CD2 4.08Å; L181-L232 HydrophobicContact CD2-CG 4.48Å; L181-L232 HydrophobicContact CG-CD1 4.29Å
182D89.6Confident92.6Very high129 Ų12948.3 Ų48.369%0.6924%0.243SC*.THydrogen-bonded Turntrans-62.4-24.7178.263.5-30.5000113.7Y184D182-Y184 PolarHBondContact O-N 3.22Å
183K89.8Confident93Very high137 Ų13746.3 Ų46.360%0.59623%0.226SC*.THydrogen-bonded Turntrans-70.7-4.4174.1-60.9179.5-175.5178.30113.9L181 P208 V209L181-K183 PolarHBondContact O-N 3.23Å; K183-P208 CarbonylContact O-C 3.55Å; K183-P208 VanDerWaalsContact O-CA 3.25Å; K183-P208 WeakPolarHBondContact O-CA 3.41Å; K183-V209 PolarHBondContact O-N 2.73Å
184Y91.9Very high93.1Very high25 Ų2548 Ų4810%0.09824%0.238CC..BIsolated β-bridgetrans-114.8146.7179.9-58.8-85.5000111.4L181 D182 S186 V205 G206 P208 V230 I245 S248L181-Y184 HydrophobicContact CD2-CD2 4.26Å; L181-Y184 HydrophobicContact CD2-CE2 4.32Å; L181-Y184 PolarHBondContact O-N 3.47Å; L181-Y184 VanDerWaalsContact O-N 3.13Å; D182-Y184 PolarHBondContact O-N 3.22Å; Y184-S186 VanDerWaalsContact C-N 3.27Å; Y184-S186 PolarHBondContact O-N 3.48Å; Y184-V205 HydrophobicContact CD1-CB 4.34Å; Y184-V205 HydrophobicContact CD1-CG2 3.5Å; Y184-V205 HydrophobicContact CD2-CG2 4.12Å; Y184-V205 HydrophobicContact CE1-CG2 3.87Å; Y184-V205 HydrophobicContact CE2-CG2 4.45Å; Y184-V205 HydrophobicContact CG-CB 4.07Å; Y184-V205 HydrophobicContact CG-CG2 3.64Å; Y184-G206 WeakPolarHBondContact CD1-O 3.27Å; Y184-P208 HydrophobicContact CD1-CB 4.18Å; Y184-P208 HydrophobicContact CE1-CB 4.22Å; Y184-V230 HydrophobicContact CE1-CG2 4.03Å; Y184-V230 HydrophobicContact CE2-CG2 3.88Å; Y184-V230 WeakPolarHBondContact OH-CG2 3.41Å; Y184-I245 HydrophobicContact CE2-CD1 4Å; Y184-S248 WeakPolarHBondContact OH-CB 3.34Å; Y184-S248 PolarHBondContact OH-OG 3.38Å
185H88.9Confident92.9Very high114 Ų11446.1 Ų46.153%0.52823%0.231SC..SBendtrans-63.4-29.5-177-87.8-70000114.4P207H185-P207 PolarHBondContact CD2-O 2.83Å; H185-P207 PolarHBondContact N-O 2.93Å
186S90.7Very high92.6Very high32 Ų3244.5 Ų44.522%0.22424%0.237CC..  trans-157.7153.2-179.757.80000112.1N132 Y184 V205 G206N132-S186 WeakPolarHBondContact OD1-CA 3.24Å; N132-S186 WeakPolarHBondContact OD1-CB 3.38Å; Y184-S186 VanDerWaalsContact C-N 3.27Å; Y184-S186 PolarHBondContact O-N 3.48Å; S186-V205 CarbonylContact O-C 3.57Å; S186-V205 VanDerWaalsContact O-CA 3.27Å; S186-V205 WeakPolarHBondContact O-CA 3.27Å; S186-V205 WeakPolarHBondContact O-CB 3.46Å; S186-G206 PolarHBondContact O-N 3.39Å
187I94.2Very high92.4Very high12 Ų1248.4 Ų48.46%0.06226%0.263CS..EExtended strand (participates in β ladder)trans-104.8115.6171.1-57.2169.9000106.5V119 N132 A134 L181 I190V119-I187 HydrophobicContact CG1-CB 4.25Å; V119-I187 HydrophobicContact CG1-CG2 3.85Å; N132-I187 HydrophobicContact CB-CB 3.91Å; N132-I187 HydrophobicContact CB-CD1 4.21Å; N132-I187 HydrophobicContact CB-CG1 4.04Å; N132-I187 PolarHBondContact OD1-N 2.96Å; A134-I187 HydrophobicContact CB-CD1 3.84Å; L181-I187 HydrophobicContact CB-CD1 3.91Å; L181-I187 HydrophobicContact CB-CG1 4.05Å; L181-I187 HydrophobicContact CD1-CD1 3.89Å; L181-I187 HydrophobicContact CD1-CG1 4.01Å; L181-I187 HydrophobicContact CD1-CG2 4.32Å; I187-I190 HydrophobicContact CG2-CD1 3.88Å; I187-I190 HydrophobicContact CG2-CG1 3.89Å
188K93.3Very high92.1Very high28 Ų2849.5 Ų49.512%0.12227%0.271CS..EExtended strand (participates in β ladder)trans-94.3-48.5-174.9-53-171.5-173.9178.80111.6V204 T225 T226 S227 P279K188-V204 WeakPolarHBondContact CA-O 3.4Å; K188-V204 WeakPolarHBondContact CB-O 3.04Å; K188-V204 PolarHBondContact N-O 2.87Å; K188-T225 PolarHBondContact NZ-O 3.01Å; K188-T226 PolarHBondContact NZ-O 2.95Å; K188-S227 PolarHBondContact NZ-OG 2.82Å; K188-P279 HydrophobicContact CB-CG 3.83Å; K188-P279 VanDerWaalsContact CD-CD 3.48Å; K188-P279 HydrophobicContact CD-CG 4.32Å
189R95.4Very high92Very high85 Ų8548.1 Ų48.132%0.32126%0.263SS..EExtended strand (participates in β ladder)trans-150.5151.6178.7-69.5-64.2-177.8-91.82.4111.6C203 V204 P279 N280 I282R189-C203 CarbonylContact O-C 3.5Å; R189-C203 WeakPolarHBondContact O-CA 3.47Å; R189-V204 HydrophobicContact CB-CB 4.48Å; R189-V204 PolarHBondContact N-O 2.86Å; R189-V204 VanDerWaalsContact N-O 3.08Å; R189-V204 PolarHBondContact O-N 2.99Å; R189-P279 HydrophobicContact CB-CG 4.43Å; R189-P279 HydrophobicContact CG-CB 4.36Å; R189-P279 HydrophobicContact CG-CG 3.92Å; R189-N280 VanDerWaalsContact CZ-O 3.32Å; R189-N280 PolarHBondContact NE-O 3.4Å; R189-N280 PolarHBondContact NH2-O 2.99Å; R189-I282 HydrophobicContact CB-CG2 3.58Å; R189-I282 HydrophobicContact CG-CG2 4.37Å
190I96.8Very high91.9Very high8 Ų849.9 Ų49.94%0.04127%0.273CS..EExtended strand (participates in β ladder)trans-134.3144.5173.3-58.3-172000108.2V107 V119 A134 L179 L181 I187 L201 A202 C203V107-I190 HydrophobicContact CG2-CB 4.23Å; V107-I190 HydrophobicContact CG2-CG2 4.29Å; V107-I190 WeakPolarHBondContact CG2-O 3.46Å; V119-I190 HydrophobicContact CG2-CB 4.38Å; V119-I190 HydrophobicContact CG2-CD1 3.67Å; V119-I190 HydrophobicContact CG2-CG1 3.97Å; A134-I190 HydrophobicContact CB-CD1 3.5Å; L179-I190 HydrophobicContact CD1-CD1 3.85Å; L181-I190 HydrophobicContact CD1-CD1 4.17Å; I187-I190 HydrophobicContact CG2-CD1 3.88Å; I187-I190 HydrophobicContact CG2-CG1 3.89Å; I190-L201 HydrophobicContact CG2-CB 4.49Å; I190-A202 CarbonylContact C-O 3.39Å; I190-A202 WeakPolarHBondContact CA-O 3.11Å; I190-C203 HydrophobicContact CG1-CB 4.19Å
191T96.8Very high92Very high9 Ų948.1 Ų48.16%0.05526%0.261CS..EExtended strand (participates in β ladder)trans-141.3145.2168.9179.80000109.2L201 A202 I282 L293T191-L201 WeakPolarHBondContact O-CA 3.44Å; T191-A202 HydrophobicContact CG2-CB 3.99Å; T191-A202 PolarHBondContact N-O 2.92Å; T191-A202 PolarHBondContact O-N 3.28Å; T191-I282 HydrophobicContact CG2-CB 4.3Å; T191-I282 HydrophobicContact CG2-CD1 3.89Å; T191-I282 HydrophobicContact CG2-CG1 3.65Å; T191-I282 HydrophobicContact CG2-CG2 3.81Å; T191-L293 HydrophobicContact CG2-CD2 4.3Å
192S95.6Very high92.2Very high18 Ų1847.9 Ų47.913%0.12626%0.26CS..EExtended strand (participates in β ladder)trans-89.1152.6177.249.30000111.2V107 T108V107-S192 WeakPolarHBondContact CG1-OG 3.5Å; T108-S192 WeakPolarHBondContact O-CB 3.36Å; T108-S192 PolarHBondContact O-OG 3.07Å
193H94.7Very high92.5Very high23 Ų2341.8 Ų41.811%0.10623%0.227CC..  trans-60.1135169.1-167.2-68.2000109.7S195 C198 D200 W284 S290H193-S195 VanDerWaalsContact ND1-CB 3.25Å; H193-S195 WeakPolarHBondContact ND1-CB 3.37Å; H193-S195 PolarHBondContact ND1-N 3.42Å; H193-S195 VanDerWaalsContact ND1-N 3.11Å; H193-S195 PolarHBondContact O-N 2.85Å; H193-S195 VanDerWaalsContact O-N 3.09Å; H193-C198 HydrophobicContact CB-CB 4.29Å; H193-D200 WeakPolarHBondContact CB-O 3.47Å; H193-D200 PolarHBondContact N-O 3.09Å; H193-W284 AromaticContact CD2-CE3 3.72Å; H193-W284 AromaticContact CD2-CH2 3.65Å; H193-W284 AromaticContact CD2-CZ3 3.27Å; H193-W284 WeakPolarHBondContact CD2-CZ3 3.44Å; H193-W284 AromaticContact NE2-CZ3 3.73Å; H193-S290 VanDerWaalsContact CE1-CB 3.44Å; H193-S290 WeakPolarHBondContact CE1-CB 3.14Å; H193-S290 VanDerWaalsContact NE2-CB 3.27Å; H193-S290 WeakPolarHBondContact NE2-CB 3.11Å
194P90.9Very high92.8Very high51 Ų5135.2 Ų35.233%0.33120%0.199SC..SBendtrans-75.74.6-174.430-36.7000114.3W284 P286 S290P194-W284 HydrophobicContact CG-CB 4.1Å; P194-P286 HydrophobicContact CG-CB 4.41Å; P194-S290 WeakPolarHBondContact CG-OG 3.47Å
195S88.1Confident92.9Very high33 Ų3334 Ų3423%0.23119%0.194CC..  trans-92.4140.6-173.9175.30000109.9H193 T197 C198H193-S195 VanDerWaalsContact ND1-CB 3.25Å; H193-S195 WeakPolarHBondContact ND1-CB 3.37Å; H193-S195 PolarHBondContact ND1-N 3.42Å; H193-S195 VanDerWaalsContact ND1-N 3.11Å; H193-S195 PolarHBondContact O-N 2.85Å; H193-S195 VanDerWaalsContact O-N 3.09Å; S195-T197 PolarHBondContact O-N 3.19Å; S195-T197 PolarHBondContact OG-N 3Å; S195-T197 PolarHBondContact OG-OG1 3.07Å; S195-C198 PolarHBondContact O-N 3.13Å; S195-C198 VanDerWaalsContact O-O 3.08Å
196S85.1Confident93.1Very high87 Ų8728.6 Ų28.661%0.60817%0.169SC*.THydrogen-bonded Turntrans-67.8-12170.355.40000113.4S111S111-S196 WeakPolarHBondContact CA-O 3.29Å; S111-S196 WeakPolarHBondContact CB-O 3.39Å
197T86.2Confident93Very high124 Ų12427.5 Ų27.576%0.76116%0.161SC*.THydrogen-bonded Turntrans-107.3-4.4-179.368.10000113.8S195S195-T197 PolarHBondContact O-N 3.19Å; S195-T197 PolarHBondContact OG-N 3Å; S195-T197 PolarHBondContact OG-OG1 3.07Å
198C88.4Confident92.8Very high28 Ų2828.1 Ų28.119%0.18917%0.166CC..  trans-128.2128.6-177.1-176.10000110H193 S195 D200H193-C198 HydrophobicContact CB-CB 4.29Å; S195-C198 PolarHBondContact O-N 3.13Å; S195-C198 VanDerWaalsContact O-O 3.08Å; C198-D200 VanDerWaalsContact SG-CG 3.54Å
199S91.2Very high92.5Very high21 Ų2130.3 Ų30.315%0.14718%0.181CC..  trans-105.212.2177.4280000113.1S111 A234 Y243S111-S199 WeakPolarHBondContact OG-CB 3.28Å; S199-A234 WeakPolarHBondContact OG-CB 3.47Å; S199-Y243 VanDerWaalsContact O-CE1 3.31Å; S199-Y243 WeakPolarHBondContact O-CE1 3.13Å; S199-Y243 PolarHBondContact O-OH 3.48Å
200D94.4Very high91.7Very high42 Ų4234.4 Ų34.423%0.22520%0.204CC..  trans-62.9152.5179.8-68.6-5.7000111.4H193 C198 L232 Q233 A234H193-D200 WeakPolarHBondContact CB-O 3.47Å; H193-D200 PolarHBondContact N-O 3.09Å; C198-D200 VanDerWaalsContact SG-CG 3.54Å; D200-L232 WeakPolarHBondContact CA-O 3.39Å; D200-Q233 WeakPolarHBondContact OD1-CA 3.4Å; D200-A234 PolarHBondContact OD1-N 2.84Å
201L96.7Very high90.2Very high0 Ų039.1 Ų39.10%023%0.227CC..EExtended strand (participates in β ladder)trans-125.2144.5-176.4-48.8169.4000110.2L109 I117 L179 I190 T191 I231 L232 Y243L109-L201 HydrophobicContact CD2-CD2 4.3Å; I117-L201 HydrophobicContact CD1-CD1 3.43Å; I117-L201 VanDerWaalsContact CD1-CD1 3.43Å; I117-L201 HydrophobicContact CD1-CD2 3.54Å; I117-L201 HydrophobicContact CD1-CG 4.13Å; L179-L201 HydrophobicContact CD1-CD1 3.68Å; L179-L201 HydrophobicContact CD2-CD1 3.86Å; L179-L201 HydrophobicContact CG-CD1 4.46Å; I190-L201 HydrophobicContact CG2-CB 4.49Å; T191-L201 WeakPolarHBondContact O-CA 3.44Å; L201-I231 CarbonylContact O-C 3.56Å; L201-I231 WeakPolarHBondContact O-CA 3.37Å; L201-L232 HydrophobicContact CB-CB 4.17Å; L201-L232 HydrophobicContact CD1-CD1 4.17Å; L201-L232 PolarHBondContact N-O 2.78Å; L201-L232 PolarHBondContact O-N 2.96Å; L201-Y243 HydrophobicContact CD1-CD1 4.05Å; L201-Y243 HydrophobicContact CD1-CE1 3.72Å; L201-Y243 HydrophobicContact CG-CD1 4.39Å; L201-Y243 HydrophobicContact CG-CE1 3.83Å
202A97.1Very high88.3Confident0 Ų043.8 Ų43.80%026%0.257CS..EExtended strand (participates in β ladder)trans-108.9130.516500000109.6I190 T191 L229 I231 I282 W284 L293I190-A202 CarbonylContact C-O 3.39Å; I190-A202 WeakPolarHBondContact CA-O 3.11Å; T191-A202 HydrophobicContact CG2-CB 3.99Å; T191-A202 PolarHBondContact N-O 2.92Å; T191-A202 PolarHBondContact O-N 3.28Å; A202-L229 HydrophobicContact CB-CD1 4.23Å; A202-I231 HydrophobicContact CB-CD1 3.73Å; A202-I282 HydrophobicContact CB-CD1 4.34Å; A202-W284 HydrophobicContact CB-CZ2 3.9Å; A202-W284 VanDerWaalsContact CB-NE1 3.26Å; A202-L293 HydrophobicContact CB-CD1 3.78Å; A202-L293 HydrophobicContact CB-CD2 3.81Å; A202-L293 HydrophobicContact CB-CG 4.46Å
203C96.8Very high86.1Confident0 Ų046.1 Ų46.10%029%0.285CS..EExtended strand (participates in β ladder)trans-125.8128.3-176.9-53.50000109.9L181 R189 I190 V205 V230L181-C203 HydrophobicContact CD1-CB 4.16Å; R189-C203 CarbonylContact O-C 3.5Å; R189-C203 WeakPolarHBondContact O-CA 3.47Å; I190-C203 HydrophobicContact CG1-CB 4.19Å; C203-V205 HydrophobicContact CB-CG1 4.11Å; C203-V230 HydrophobicContact CB-CB 4.43Å; C203-V230 PolarHBondContact N-O 2.87Å; C203-V230 PolarHBondContact O-N 3.31Å
204V95.7Very high83.9Confident0 Ų051.5 Ų51.50%033%0.325CS..EExtended strand (participates in β ladder)trans-93.7120.9164.8-169.10000108.3K188 R189 Y228 L251 P279 I282 I295K188-V204 WeakPolarHBondContact CA-O 3.4Å; K188-V204 WeakPolarHBondContact CB-O 3.04Å; K188-V204 PolarHBondContact N-O 2.87Å; R189-V204 HydrophobicContact CB-CB 4.48Å; R189-V204 PolarHBondContact N-O 2.86Å; R189-V204 VanDerWaalsContact N-O 3.08Å; R189-V204 PolarHBondContact O-N 2.99Å; V204-Y228 CarbonylContact C-O 3.52Å; V204-Y228 WeakPolarHBondContact CA-O 3.48Å; V204-L251 HydrophobicContact CG1-CD1 3.9Å; V204-L251 HydrophobicContact CG2-CD1 4.47Å; V204-P279 HydrophobicContact CB-CG 3.89Å; V204-P279 HydrophobicContact CG1-CB 4.47Å; V204-P279 HydrophobicContact CG1-CG 3.67Å; V204-P279 HydrophobicContact CG2-CG 4.37Å; V204-I282 HydrophobicContact CG2-CD1 3.6Å; V204-I295 HydrophobicContact CG2-CD1 4.14Å; V204-I295 HydrophobicContact CG2-CG2 4.3Å
205V94.8Very high81.5Confident0 Ų052.8 Ų52.80%034%0.34CS..EExtended strand (participates in β ladder)trans-125.8166.4-174.1-61.40000110.8L181 Y184 S186 C203 S227 Y228 V230L181-V205 HydrophobicContact CD1-CG1 4.33Å; L181-V205 HydrophobicContact CD2-CG1 4.22Å; Y184-V205 HydrophobicContact CD1-CB 4.34Å; Y184-V205 HydrophobicContact CD1-CG2 3.5Å; Y184-V205 HydrophobicContact CD2-CG2 4.12Å; Y184-V205 HydrophobicContact CE1-CG2 3.87Å; Y184-V205 HydrophobicContact CE2-CG2 4.45Å; Y184-V205 HydrophobicContact CG-CB 4.07Å; Y184-V205 HydrophobicContact CG-CG2 3.64Å; S186-V205 CarbonylContact O-C 3.57Å; S186-V205 VanDerWaalsContact O-CA 3.27Å; S186-V205 WeakPolarHBondContact O-CA 3.27Å; S186-V205 WeakPolarHBondContact O-CB 3.46Å; C203-V205 HydrophobicContact CB-CG1 4.11Å; V205-S227 CarbonylContact O-C 3.57Å; V205-S227 WeakPolarHBondContact O-CA 3.14Å; V205-Y228 PolarHBondContact N-O 2.91Å; V205-Y228 PolarHBondContact O-N 2.72Å; V205-V230 HydrophobicContact CG2-CG2 3.61Å
206G91.4Very high79.2Confident0 Ų055 Ų550%036%0.36CS..  trans-71.5-176.8168.700000112.6Y184 S186Y184-G206 WeakPolarHBondContact CD1-O 3.27Å; S186-G206 PolarHBondContact O-N 3.39Å
207P90.3Very high77.2Confident8 Ų862.1 Ų62.15%0.05238%0.375CS..  trans-63.7153.7175.727.3-33.1000111.7H185 T222 T226 Y228H185-P207 PolarHBondContact CD2-O 2.83Å; H185-P207 PolarHBondContact N-O 2.93Å; P207-T222 HydrophobicContact CB-CG2 3.85Å; P207-T226 WeakPolarHBondContact CD-O 3.36Å; P207-Y228 HydrophobicContact CB-CE2 4.08Å
208P89.9Confident75.6Confident25 Ų2559.9 Ų59.916%0.16237%0.365CS..BIsolated β-bridgetrans-63.3144.217427.1-33.2000111.3K183 Y184 M211K183-P208 CarbonylContact O-C 3.55Å; K183-P208 VanDerWaalsContact O-CA 3.25Å; K183-P208 WeakPolarHBondContact O-CA 3.41Å; Y184-P208 HydrophobicContact CD1-CB 4.18Å; Y184-P208 HydrophobicContact CE1-CB 4.22Å; P208-M211 HydrophobicContact CG-SD 3.83Å
209V85.7Confident74.1Confident75 Ų7564.6 Ų64.646%0.45540%0.398SS..SBendtrans-68.5-43.4-178.2177.50000111.1K183K183-V209 PolarHBondContact O-N 2.73Å
210E79.3Confident72.8Confident171 Ų17165 Ų6580%0.79940%0.398SS*.SBendtrans-101.4107.2171.9-67.6-178.8-177.600108.4P212E210-P212 WeakPolarHBondContact O-CD 3.42Å
211M65.4Low71.7Confident107 Ų10768.1 Ų68.153%0.52742%0.419SS..PPolyproline II helixtrans-71.8119.7167.7-70.2-70.3-76.500107.4P208 G213 T222P208-M211 HydrophobicContact CG-SD 3.83Å; M211-G213 PolarHBondContact O-N 2.79Å; M211-T222 HydrophobicContact CE-CG2 4.3Å; M211-T222 HydrophobicContact SD-CG2 4.42Å
212P57.3Low70.8Confident106 Ų10670.3 Ų70.369%0.68843%0.432SS*.PPolyproline II helixtrans-54.5119.3175.119.5-29.2000108.4E210 S214E210-P212 WeakPolarHBondContact O-CD 3.42Å; P212-S214 PolarHBondContact O-N 2.78Å; P212-S214 VanDerWaalsContact O-N 3.16Å
213G49.9Very low69.9Low68 Ų6872.9 Ų72.970%0.70145%0.448SS*.THydrogen-bonded Turntrans-51.3121.3-167.100000111.9M211 A215M211-G213 PolarHBondContact O-N 2.79Å; G213-A215 PolarHBondContact O-N 3.15Å
214S47.2Very low68.8Low135 Ų13577.3 Ų77.394%0.94448%0.484SS*.THydrogen-bonded Turntrans30.152.7166.7-174.50000115P212P212-S214 PolarHBondContact O-N 2.78Å; P212-S214 VanDerWaalsContact O-N 3.16Å
215A40.3Very low68.1Low79 Ų7980.7 Ų80.765%0.65351%0.505SS*.  trans-120.192.5176.300000109.3G213G213-A215 PolarHBondContact O-N 3.15Å
216A40.6Very low67.7Low78 Ų7880.7 Ų80.765%0.64551%0.505SS*.SBendtrans62.9109.8138.400000118.8
217Y43.3Very low67.7Low237 Ų23780.7 Ų80.793%0.92951%0.505SS*.  trans71.840.3149.1-52.2-73.6000121.3
218S52.5Low67.9Low78 Ų7881.4 Ų81.455%0.54551%0.507SS..  trans-95.2119.5147.2-174.90000108.7L220S218-L220 PolarHBondContact O-N 2.98Å; S218-L220 PolarHBondContact OG-N 3.22Å
219S55.9Low68.1Low127 Ų12780.2 Ų80.289%0.88850%0.499SS*.  trans-72.2-5.4175.560.70000113.1
220L63.8Low68.6Low28 Ų2876.6 Ų76.615%0.14748%0.478CS..SBendtrans-99.9132.2-172-67.4162.3000110.5S218 T222 Y252 C272S218-L220 PolarHBondContact O-N 2.98Å; S218-L220 PolarHBondContact OG-N 3.22Å; L220-T222 PolarHBondContact O-N 2.96Å; L220-Y252 HydrophobicContact CD1-CD1 3.8Å; L220-Y252 HydrophobicContact CD1-CG 3.99Å; L220-C272 HydrophobicContact CD2-CB 4.13Å; L220-C272 WeakPolarHBondContact CD2-O 3.24Å
221V72.9Confident69.5Low109 Ų10969 Ų6966%0.66144%0.442SS*.PPolyproline II helixtrans-69.5119.7171.8179.50000109T223 S274V221-T223 HydrophobicContact CG1-CG2 4.19Å; V221-S274 PolarHBondContact O-OG 2.76Å
222T75.9Confident70.9Confident45 Ų4563.9 Ų63.928%0.27642%0.417SS..PPolyproline II helixtrans-84.7128.6171.8-52.80000109.8P207 M211 L220 T226 Y228 Q250P207-T222 HydrophobicContact CB-CG2 3.85Å; M211-T222 HydrophobicContact CE-CG2 4.3Å; M211-T222 HydrophobicContact SD-CG2 4.42Å; L220-T222 PolarHBondContact O-N 2.96Å; T222-T226 WeakPolarHBondContact CG2-OG1 3.37Å; T222-Y228 HydrophobicContact CG2-CE2 4.16Å; T222-Y228 PolarHBondContact OG1-OH 2.94Å; T222-Q250 PolarHBondContact OG1-OE1 3.39Å
223T78.6Confident72.7Confident54 Ų5463.1 Ų63.133%0.33140%0.404SS..  trans-124.8166175.372.70000109.7V221 T225 T226V221-T223 HydrophobicContact CG1-CG2 4.19Å; T223-T225 PolarHBondContact O-N 2.85Å; T223-T225 PolarHBondContact OG1-N 3.26Å; T223-T225 PolarHBondContact OG1-OG1 2.88Å; T223-T226 VanDerWaalsContact N-CG2 3.29Å; T223-T226 WeakPolarHBondContact O-CB 3.15Å; T223-T226 PolarHBondContact O-N 2.89Å; T223-T226 PolarHBondContact O-OG1 3.49Å
224A74.4Confident74.7Confident93 Ų9360.4 Ų60.477%0.76938%0.375SS*.THydrogen-bonded Turntrans-55.9-20.7177.900000114.1
225T79.8Confident76.6Confident71 Ų7155.8 Ų55.844%0.43634%0.342SS..THydrogen-bonded Turntrans-99.2-8.4-178.964.70000113.7K188 T223 I276K188-T225 PolarHBondContact NZ-O 3.01Å; T223-T225 PolarHBondContact O-N 2.85Å; T223-T225 PolarHBondContact OG1-N 3.26Å; T223-T225 PolarHBondContact OG1-OG1 2.88Å; T225-I276 WeakPolarHBondContact CB-O 3.15Å; T225-I276 PolarHBondContact OG1-O 2.8Å
226T87.3Confident78.4Confident0 Ų057 Ų570%035%0.346CS..  trans-56.7142.5179.351.90000112.4K188 P207 T222 T223K188-T226 PolarHBondContact NZ-O 2.95Å; P207-T226 WeakPolarHBondContact CD-O 3.36Å; T222-T226 WeakPolarHBondContact CG2-OG1 3.37Å; T223-T226 VanDerWaalsContact N-CG2 3.29Å; T223-T226 WeakPolarHBondContact O-CB 3.15Å; T223-T226 PolarHBondContact O-N 2.89Å; T223-T226 PolarHBondContact O-OG1 3.49Å
227S92.2Very high79.8Confident0 Ų058.7 Ų58.70%034%0.344CS..  trans-101136.8177-62.40000110.4K188 V205 L251 T275 A277K188-S227 PolarHBondContact NZ-OG 2.82Å; V205-S227 CarbonylContact O-C 3.57Å; V205-S227 WeakPolarHBondContact O-CA 3.14Å; S227-L251 WeakPolarHBondContact O-CB 3.43Å; S227-L251 PolarHBondContact O-N 3.36Å; S227-T275 PolarHBondContact N-O 2.9Å; S227-A277 PolarHBondContact OG-O 3.08Å
228Y93.6Very high80.8Confident23 Ų2353.2 Ų53.29%0.0934%0.341CS..EExtended strand (participates in β ladder)trans-115.6144.7171.2-77.8-110.4000108.9V204 V205 P207 T222 V249 Q250V204-Y228 CarbonylContact C-O 3.52Å; V204-Y228 WeakPolarHBondContact CA-O 3.48Å; V205-Y228 PolarHBondContact N-O 2.91Å; V205-Y228 PolarHBondContact O-N 2.72Å; P207-Y228 HydrophobicContact CB-CE2 4.08Å; T222-Y228 HydrophobicContact CG2-CE2 4.16Å; T222-Y228 PolarHBondContact OG1-OH 2.94Å; Y228-V249 CarbonylContact C-O 3.6Å; Y228-V249 VanDerWaalsContact CA-O 3.23Å; Y228-V249 WeakPolarHBondContact CA-O 3.43Å; Y228-V249 WeakPolarHBondContact CB-O 3.49Å; Y228-V249 VanDerWaalsContact CD1-C 3.48Å; Y228-V249 WeakPolarHBondContact CD1-O 3.26Å; Y228-Q250 HydrophobicContact CD1-CB 4.01Å; Y228-Q250 HydrophobicContact CD2-CG 4.48Å; Y228-Q250 HydrophobicContact CE1-CB 3.57Å; Y228-Q250 HydrophobicContact CE1-CG 4.2Å; Y228-Q250 HydrophobicContact CE2-CB 4.25Å; Y228-Q250 HydrophobicContact CE2-CG 3.97Å; Y228-Q250 PolarHBondContact OH-OE1 3.11Å
229L95.3Very high81.5Confident0 Ų056.9 Ų56.90%035%0.354CS..EExtended strand (participates in β ladder)trans-99.8126.7168.9175.666.1000108.7A202 I231 S248 V249 L251 I282 L293 W304 M309A202-L229 HydrophobicContact CB-CD1 4.23Å; L229-I231 HydrophobicContact CD1-CD1 4.33Å; L229-I231 HydrophobicContact CG-CD1 4.36Å; L229-S248 WeakPolarHBondContact O-CA 3.49Å; L229-V249 HydrophobicContact CB-CG1 4.1Å; L229-V249 PolarHBondContact N-O 2.8Å; L229-V249 PolarHBondContact O-N 2.86Å; L229-L251 HydrophobicContact CB-CD1 4.21Å; L229-L251 HydrophobicContact CB-CD2 3.72Å; L229-L251 HydrophobicContact CB-CG 3.94Å; L229-L251 HydrophobicContact CD2-CD2 4.41Å; L229-I282 HydrophobicContact CD1-CD1 4.34Å; L229-L293 HydrophobicContact CD1-CD1 3.82Å; L229-L293 HydrophobicContact CD2-CD1 3.68Å; L229-L293 HydrophobicContact CG-CD1 4.36Å; L229-W304 HydrophobicContact CD2-CB 4.5Å; L229-W304 HydrophobicContact CD2-CD2 4.31Å; L229-W304 HydrophobicContact CD2-CG 3.79Å; L229-M309 HydrophobicContact CD2-CE 4.35Å; L229-M309 HydrophobicContact CG-CE 4.48Å
230V96.2Very high82.4Confident0 Ų053.1 Ų53.10%033%0.328CS..EExtended strand (participates in β ladder)trans-120.1130.4177.8174.60000108.4L181 Y184 C203 V205 L232 I245 T247L181-V230 HydrophobicContact CD2-CG1 4.04Å; Y184-V230 HydrophobicContact CE1-CG2 4.03Å; Y184-V230 HydrophobicContact CE2-CG2 3.88Å; Y184-V230 WeakPolarHBondContact OH-CG2 3.41Å; C203-V230 HydrophobicContact CB-CB 4.43Å; C203-V230 PolarHBondContact N-O 2.87Å; C203-V230 PolarHBondContact O-N 3.31Å; V205-V230 HydrophobicContact CG2-CG2 3.61Å; V230-L232 HydrophobicContact CG1-CD2 3.85Å; V230-L232 HydrophobicContact CG1-CG 4.33Å; V230-I245 HydrophobicContact CG1-CG1 4.18Å; V230-I245 HydrophobicContact CG1-CG2 3.98Å; V230-T247 VanDerWaalsContact CA-O 3.32Å; V230-T247 WeakPolarHBondContact CA-O 3.33Å
231I96.5Very high83.1Confident10 Ų1054.9 Ų54.95%0.05134%0.342CS..EExtended strand (participates in β ladder)trans-102.3122170.2-52.7-59.6000108L201 A202 L229 S246 T247 W284 L293 V306 M309L201-I231 CarbonylContact O-C 3.56Å; L201-I231 WeakPolarHBondContact O-CA 3.37Å; A202-I231 HydrophobicContact CB-CD1 3.73Å; L229-I231 HydrophobicContact CD1-CD1 4.33Å; L229-I231 HydrophobicContact CG-CD1 4.36Å; I231-S246 PolarHBondContact O-N 2.78Å; I231-T247 WeakPolarHBondContact CB-OG1 3.35Å; I231-T247 VanDerWaalsContact CG1-OG1 3.26Å; I231-T247 WeakPolarHBondContact CG1-OG1 3.23Å; I231-T247 PolarHBondContact N-O 2.94Å; I231-T247 PolarHBondContact O-N 2.66Å; I231-W284 HydrophobicContact CD1-CZ2 4.45Å; I231-L293 HydrophobicContact CD1-CD1 4.29Å; I231-V306 HydrophobicContact CD1-CG1 3.95Å; I231-V306 HydrophobicContact CG1-CG1 3.93Å; I231-M309 HydrophobicContact CG1-CE 4.36Å; I231-M309 HydrophobicContact CG1-SD 4.49Å
232L96.4Very high83.9Confident0 Ų053.5 Ų53.50%033%0.331CS..EExtended strand (participates in β ladder)trans-98.2123.2174.1-59.3178.9000108.9L179 P180 L181 D200 L201 V230 Y243 Q244 I245L179-L232 HydrophobicContact CB-CD1 3.97Å; L179-L232 HydrophobicContact CD1-CD1 3.93Å; L179-L232 HydrophobicContact CD2-CD1 4.22Å; L179-L232 HydrophobicContact CG-CD1 4.27Å; P180-L232 HydrophobicContact CG-CD2 3.98Å; L181-L232 HydrophobicContact CD1-CD1 4.35Å; L181-L232 HydrophobicContact CD2-CD1 4.23Å; L181-L232 HydrophobicContact CD2-CD2 4.08Å; L181-L232 HydrophobicContact CD2-CG 4.48Å; L181-L232 HydrophobicContact CG-CD1 4.29Å; D200-L232 WeakPolarHBondContact CA-O 3.39Å; L201-L232 HydrophobicContact CB-CB 4.17Å; L201-L232 HydrophobicContact CD1-CD1 4.17Å; L201-L232 PolarHBondContact N-O 2.78Å; L201-L232 PolarHBondContact O-N 2.96Å; V230-L232 HydrophobicContact CG1-CD2 3.85Å; V230-L232 HydrophobicContact CG1-CG 4.33Å; L232-Y243 HydrophobicContact CB-CD1 3.98Å; L232-Q244 CarbonylContact C-O 3.58Å; L232-Q244 WeakPolarHBondContact CA-O 3.25Å; L232-I245 HydrophobicContact CD2-CB 4.39Å; L232-I245 HydrophobicContact CD2-CG1 3.69Å
233Q94Very high84.7Confident90 Ų9051.6 Ų51.642%0.42132%0.319SS..EExtended strand (participates in β ladder)trans-87.2131.4174.6-175.8174.1-5.600109.5D200 Y243 Q244D200-Q233 WeakPolarHBondContact OD1-CA 3.4Å; Q233-Y243 WeakPolarHBondContact O-CA 3.34Å; Q233-Y243 WeakPolarHBondContact O-CD1 3.3Å; Q233-Q244 PolarHBondContact N-O 3.47Å; Q233-Q244 PolarHBondContact O-N 2.93Å; Q233-Q244 VanDerWaalsContact O-N 3.09Å
234A91.7Very high85.4Confident12 Ų1255.4 Ų55.410%0.09933%0.333CS..PPolyproline II helixtrans-67.8148.6174.200000111.1S199 D200 S236 Y243S199-A234 WeakPolarHBondContact OG-CB 3.47Å; D200-A234 PolarHBondContact OD1-N 2.84Å; A234-S236 PolarHBondContact O-N 2.92Å; A234-Y243 HydrophobicContact CB-CD1 4.37Å; A234-Y243 HydrophobicContact CB-CE1 3.76Å
235P87.7Confident86.3Confident38 Ų3853.8 Ų53.825%0.24731%0.311CS..PPolyproline II helixtrans-64.2123.217725.1-33.3000110.9S240P235-S240 WeakPolarHBondContact CB-O 3.32Å
236S78.2Confident87Confident105 Ų10553.4 Ų53.473%0.73431%0.311SS*.  trans-82.4-23.3176.863.90000113.5A234A234-S236 PolarHBondContact O-N 2.92Å
237N69.4Low87.3Confident113 Ų11355.7 Ų55.760%0.60433%0.325SS*.SBendtrans-107.3140.3-172.8-67.7-8.8000110.6N239 S240N237-N239 PolarHBondContact O-N 2.83Å; N237-S240 PolarHBondContact O-N 2.87Å
238S64.3Low87.4Confident122 Ų12258.2 Ų58.285%0.85334%0.343SS*.THydrogen-bonded Turntrans-55.3-20.1175.456.70000114.7
239N67.4Low87.3Confident155 Ų15558.8 Ų58.883%0.82935%0.349SS*.THydrogen-bonded Turntrans-81-13.1-174-66.7-7.8000114.2N237N237-N239 PolarHBondContact O-N 2.83Å
240S75.8Confident87.1Confident48 Ų4859.4 Ų59.434%0.33635%0.352SS..  trans-134.2130.4177.8-177.80000109.9P235 N237 D242P235-S240 WeakPolarHBondContact CB-O 3.32Å; N237-S240 PolarHBondContact O-N 2.87Å; S240-D242 VanDerWaalsContact C-N 3.32Å; S240-D242 PolarHBondContact OG-N 3.06Å
241S78.3Confident86.9Confident65 Ų6559.4 Ų59.446%0.45535%0.352SS..  trans-901.3173.550.80000113T177T177-S241 WeakPolarHBondContact CG2-O 3.25Å
242D88.2Confident86.4Confident79 Ų7961.2 Ų61.242%0.42236%0.358SS..  trans-101.7136.4-164.1-60.6-27.7000111.8T177 S240T177-D242 WeakPolarHBondContact CB-OD1 3.22Å; T177-D242 PolarHBondContact OG1-OD1 3.37Å; S240-D242 VanDerWaalsContact C-N 3.32Å; S240-D242 PolarHBondContact OG-N 3.06Å
243Y94.1Very high85.8Confident6 Ų662.5 Ų62.52%0.02437%0.365CS..  trans-68.5150.5171.6-77.7-96.6000110.7L109 L136 T177 L179 P180 S199 L201 L232 Q233 A234L109-Y243 WeakPolarHBondContact CD2-OH 3.44Å; L136-Y243 HydrophobicContact CD2-CE2 4.14Å; T177-Y243 HydrophobicContact CG2-CD2 4.19Å; L179-Y243 HydrophobicContact CD2-CD2 3.45Å; L179-Y243 VanDerWaalsContact CD2-CD2 3.45Å; L179-Y243 HydrophobicContact CD2-CE2 3.95Å; L179-Y243 HydrophobicContact CD2-CG 3.77Å; P180-Y243 WeakPolarHBondContact CG-O 3.04Å; S199-Y243 VanDerWaalsContact O-CE1 3.31Å; S199-Y243 WeakPolarHBondContact O-CE1 3.13Å; S199-Y243 PolarHBondContact O-OH 3.48Å; L201-Y243 HydrophobicContact CD1-CD1 4.05Å; L201-Y243 HydrophobicContact CD1-CE1 3.72Å; L201-Y243 HydrophobicContact CG-CD1 4.39Å; L201-Y243 HydrophobicContact CG-CE1 3.83Å; L232-Y243 HydrophobicContact CB-CD1 3.98Å; Q233-Y243 WeakPolarHBondContact O-CA 3.34Å; Q233-Y243 WeakPolarHBondContact O-CD1 3.3Å; A234-Y243 HydrophobicContact CB-CD1 4.37Å; A234-Y243 HydrophobicContact CB-CE1 3.76Å
244Q93Very high84.9Confident133 Ų13359 Ų5962%0.62135%0.35SS*.EExtended strand (participates in β ladder)trans-121.1144.6174.3-64.7-174.9-11.800110.8L232 Q233 S246L232-Q244 CarbonylContact C-O 3.58Å; L232-Q244 WeakPolarHBondContact CA-O 3.25Å; Q233-Q244 PolarHBondContact N-O 3.47Å; Q233-Q244 PolarHBondContact O-N 2.93Å; Q233-Q244 VanDerWaalsContact O-N 3.09Å; Q244-S246 PolarHBondContact O-N 3.02Å
245I94.2Very high83.6Confident59 Ų5961.8 Ų61.830%0.30337%0.367SS..EExtended strand (participates in β ladder)trans-71.3110.9171.3-63167.9000108.1P180 Y184 V230 L232P180-I245 HydrophobicContact CG-CG1 4.23Å; P180-I245 WeakPolarHBondContact O-CD1 3.42Å; Y184-I245 HydrophobicContact CE2-CD1 4Å; V230-I245 HydrophobicContact CG1-CG1 4.18Å; V230-I245 HydrophobicContact CG1-CG2 3.98Å; L232-I245 HydrophobicContact CD2-CB 4.39Å; L232-I245 HydrophobicContact CD2-CG1 3.69Å
246S93.1Very high82.2Confident64 Ų6462.7 Ų62.745%0.44837%0.374SS..EExtended strand (participates in β ladder)trans-80.8-47.1174.8176.80000110.9I231 Q244I231-S246 PolarHBondContact O-N 2.78Å; Q244-S246 PolarHBondContact O-N 3.02Å
247T93.7Very high80.8Confident47 Ų4760.3 Ų60.329%0.28836%0.358SS..EExtended strand (participates in β ladder)trans-144.2151.1-178.8600000111.3V230 I231 M309V230-T247 VanDerWaalsContact CA-O 3.32Å; V230-T247 WeakPolarHBondContact CA-O 3.33Å; I231-T247 WeakPolarHBondContact CB-OG1 3.35Å; I231-T247 VanDerWaalsContact CG1-OG1 3.26Å; I231-T247 WeakPolarHBondContact CG1-OG1 3.23Å; I231-T247 PolarHBondContact N-O 2.94Å; I231-T247 PolarHBondContact O-N 2.66Å; T247-M309 WeakPolarHBondContact OG1-CE 3.37Å
248S93.7Very high79.5Confident54 Ų5460.3 Ų60.338%0.37836%0.364SS..EExtended strand (participates in β ladder)trans-143.4126.7172.7-1770000109.5Y184 L229Y184-S248 WeakPolarHBondContact OH-CB 3.34Å; Y184-S248 PolarHBondContact OH-OG 3.38Å; L229-S248 WeakPolarHBondContact O-CA 3.49Å
249V92.5Very high78.5Confident35 Ų3559 Ų5921%0.21236%0.355CS..EExtended strand (participates in β ladder)trans-139.9144.4-179.171.80000110.8Y228 L229 W304 M309Y228-V249 CarbonylContact C-O 3.6Å; Y228-V249 VanDerWaalsContact CA-O 3.23Å; Y228-V249 WeakPolarHBondContact CA-O 3.43Å; Y228-V249 WeakPolarHBondContact CB-O 3.49Å; Y228-V249 VanDerWaalsContact CD1-C 3.48Å; Y228-V249 WeakPolarHBondContact CD1-O 3.26Å; L229-V249 HydrophobicContact CB-CG1 4.1Å; L229-V249 PolarHBondContact N-O 2.8Å; L229-V249 PolarHBondContact O-N 2.86Å; V249-W304 HydrophobicContact CB-CZ2 4.48Å; V249-W304 HydrophobicContact CG1-CH2 4.41Å; V249-W304 HydrophobicContact CG1-CZ2 3.48Å; V249-W304 VanDerWaalsContact CG1-CZ2 3.48Å; V249-W304 HydrophobicContact CG2-CZ2 4.16Å; V249-M309 HydrophobicContact CB-CE 3.88Å; V249-M309 HydrophobicContact CG1-CB 4.46Å; V249-M309 HydrophobicContact CG1-CE 3.28Å; V249-M309 HydrophobicContact CG1-SD 4.44Å
250Q91.1Very high77.1Confident13 Ų1355.6 Ų55.66%0.06134%0.336CS..EExtended strand (participates in β ladder)trans-71.7129.4171.8-171.6174.1-13.700109.7T222 Y228T222-Q250 PolarHBondContact OG1-OE1 3.39Å; Y228-Q250 HydrophobicContact CD1-CB 4.01Å; Y228-Q250 HydrophobicContact CD2-CG 4.48Å; Y228-Q250 HydrophobicContact CE1-CB 3.57Å; Y228-Q250 HydrophobicContact CE1-CG 4.2Å; Y228-Q250 HydrophobicContact CE2-CB 4.25Å; Y228-Q250 HydrophobicContact CE2-CG 3.97Å; Y228-Q250 PolarHBondContact OH-OE1 3.11Å
251L91.4Very high75Confident0 Ų060.4 Ų60.40%036%0.359CS..  trans-76.7136.1173.7-68.6174.1000110.2V204 S227 L229 T275 I295 F297 L302 W304V204-L251 HydrophobicContact CG1-CD1 3.9Å; V204-L251 HydrophobicContact CG2-CD1 4.47Å; S227-L251 WeakPolarHBondContact O-CB 3.43Å; S227-L251 PolarHBondContact O-N 3.36Å; L229-L251 HydrophobicContact CB-CD1 4.21Å; L229-L251 HydrophobicContact CB-CD2 3.72Å; L229-L251 HydrophobicContact CB-CG 3.94Å; L229-L251 HydrophobicContact CD2-CD2 4.41Å; L251-T275 PolarHBondContact O-N 3.48Å; L251-I295 HydrophobicContact CD1-CD1 3.84Å; L251-I295 HydrophobicContact CD2-CD1 4.2Å; L251-F297 HydrophobicContact CD1-CE2 4.16Å; L251-F297 HydrophobicContact CD1-CZ 3.72Å; L251-L302 HydrophobicContact CD2-CD2 4.3Å; L251-W304 HydrophobicContact CD2-CD2 3.73Å; L251-W304 HydrophobicContact CD2-CE3 3.49Å; L251-W304 VanDerWaalsContact CD2-CE3 3.49Å; L251-W304 HydrophobicContact CD2-CG 4.49Å; L251-W304 HydrophobicContact CD2-CH2 3.83Å; L251-W304 HydrophobicContact CD2-CZ2 4.07Å; L251-W304 HydrophobicContact CD2-CZ3 3.54Å
252Y86.7Confident72.9Confident47 Ų4764.2 Ų64.218%0.18437%0.373CS..EExtended strand (participates in β ladder)trans-140.7148.4174.960.4-88.5000109.9L220 C272 L273 W304 P311L220-Y252 HydrophobicContact CD1-CD1 3.8Å; L220-Y252 HydrophobicContact CD1-CG 3.99Å; Y252-C272 HydrophobicContact CD2-CB 3.69Å; Y252-C272 HydrophobicContact CE2-CB 4.42Å; Y252-C272 HydrophobicContact CG-CB 4.26Å; Y252-L273 WeakPolarHBondContact CA-O 3.41Å; Y252-W304 HydrophobicContact CD1-CH2 4.02Å; Y252-W304 AromaticContact CE1-CH2 3.78Å; Y252-W304 HydrophobicContact CE1-CH2 3.78Å; Y252-W304 HydrophobicContact CE1-CZ3 4.46Å; Y252-P311 HydrophobicContact CD2-CG 4.27Å; Y252-P311 HydrophobicContact CE2-CG 3.58Å; Y252-P311 VanDerWaalsContact CZ-CD 3.46Å; Y252-P311 VanDerWaalsContact OH-CD 3.25Å; Y252-P311 WeakPolarHBondContact OH-CD 3.19Å
253L83Confident70.1Confident27 Ų2771.6 Ų71.614%0.14140%0.395CS..EExtended strand (participates in β ladder)trans-85.3136.9173.6-56.2-178.4000109.1L273 L302 W314L253-L273 PolarHBondContact N-O 3Å; L253-L273 PolarHBondContact O-N 2.82Å; L253-L302 HydrophobicContact CD2-CD1 4.12Å; L253-L302 HydrophobicContact CD2-CD2 4.25Å; L253-W314 HydrophobicContact CD1-CH2 4.13Å; L253-W314 HydrophobicContact CD1-CZ2 3.93Å; L253-W314 HydrophobicContact CD2-CD2 4.01Å; L253-W314 HydrophobicContact CD2-CE3 3.66Å; L253-W314 HydrophobicContact CD2-CH2 4.05Å; L253-W314 HydrophobicContact CD2-CZ2 4.37Å; L253-W314 HydrophobicContact CD2-CZ3 3.68Å
254P75.2Confident67.1Low16 Ų1676.8 Ų76.810%0.10443%0.428CS..PPolyproline II helixtrans-54.1150.1164.7-21.232.1000110.9S256 P311 W314 Y357P254-S256 PolarHBondContact O-N 3.41Å; P254-P311 HydrophobicContact CG-CB 3.84Å; P254-P311 HydrophobicContact CG-CG 4.03Å; P254-W314 HydrophobicContact CG-CB 3.82Å; P254-Y357 HydrophobicContact CB-CE1 3.98Å; P254-Y357 HydrophobicContact CG-CE1 4.43Å
255P64.4Low63.9Low71 Ų7179.1 Ų79.146%0.46144%0.444SS..PPolyproline II helixtrans-60.7126.6173.725.8-32.7000110.1
256S57.6Low60.7Low58 Ų5883.8 Ų83.841%0.40647%0.466SS..PPolyproline II helixtrans-71.2150.8171.450.80000110.4P254 E316P254-S256 PolarHBondContact O-N 3.41Å; S256-E316 VanDerWaalsContact CB-OE2 3.25Å; S256-E316 WeakPolarHBondContact CB-OE2 3.32Å
257S50.2Low57.6Low55 Ų5589.2 Ų89.239%0.38548%0.482SS..PPolyproline II helixtrans-61.9134.8174.144.10000109.9S259S257-S259 PolarHBondContact O-N 3.14Å
258P42.4Very low54.5Low113 Ų11392.8 Ų92.873%0.73451%0.509SS*.THydrogen-bonded Turntrans-70.921.2-172.927.6-35000115.4D260P258-D260 VanDerWaalsContact C-N 3.34Å
259S43.4Very low51.7Low94 Ų9494.4 Ų94.466%0.65752%0.52SS*.THydrogen-bonded Turntrans-75.7-16.8178.648.20000114.1S257 N261S257-S259 PolarHBondContact O-N 3.14Å; S259-N261 PolarHBondContact O-N 3.19Å
260D36.9Very low49.3Very low83 Ų8399.7 Ų99.744%0.44455%0.553SS.*  trans-94.576.1173.9-82.4-26.2000111.7P258 L262P258-D260 VanDerWaalsContact C-N 3.34Å; D260-L262 PolarHBondContact O-N 3.29Å
261N31.4Very low47.4Very low150 Ų150102.1 Ų102.180%0.80257%0.571SS**  trans-78.514.6170.3-81.8-49.6000113.7S259S259-N261 PolarHBondContact O-N 3.19Å
262L34.3Very low45.5Very low145 Ų145104.4 Ų104.476%0.75959%0.587SS**SBendtrans-102.2106.9169.9-10486000110.6D260D260-L262 PolarHBondContact O-N 3.29Å
263R29.2Very low44.3Very low233 Ų233106.9 Ų106.988%0.87960%0.602SS**SBendtrans74.562.4162.5-56.6179.8168.3-153.5-1.3117.6
264T32.5Very low43.4Very low116 Ų116106.8 Ų106.871%0.71260%0.604SS**  -134.3127.8126.665.10000108.9M266T264-M266 PolarHBondContact O-N 3.07Å
265N26Very low43.1Very low182 Ų182106.2 Ų106.297%0.97360%0.601SS**  trans-73.627.9171.6-104.3-36.9000111.6
266M27Very low43.3Very low156 Ų156108 Ų10877%0.76861%0.605SS**  trans-99.5103.3174.6-70.4-141.1173.100108.6T264 S268T264-M266 PolarHBondContact O-N 3.07Å; M266-S268 PolarHBondContact O-N 2.87Å
267K26.1Very low44.1Very low179 Ų179105.7 Ų105.778%0.77859%0.59SS**  trans-47.5121.3176.6-66.4173.7177.9176.60110.7S269K267-S269 PolarHBondContact O-N 3.45Å; K267-S269 PolarHBondContact O-OG 2.91Å
268S30Very low45.7Very low121 Ų121106.3 Ų106.385%0.84659%0.594SS**  trans15.978.714864.60000114.8M266M266-S268 PolarHBondContact O-N 2.87Å
269S35.4Very low48.1Very low88 Ų88100.9 Ų100.962%0.61556%0.559SS**  trans-129111.6170.3-570000107K267 S271K267-S269 PolarHBondContact O-N 3.45Å; K267-S269 PolarHBondContact O-OG 2.91Å; S269-S271 VanDerWaalsContact CB-OG 3.26Å; S269-S271 WeakPolarHBondContact CB-OG 3.3Å; S269-S271 PolarHBondContact O-N 3.26Å
270T41.3Very low50.6Low146 Ų14697.9 Ų97.990%0.89654%0.535SS*.  trans-62.719.1168.839.10000113
271S50.1Low53.4Low65 Ų6594.2 Ų94.246%0.45552%0.517SS..SBendtrans-88.1131-179.654.60000110.1S269 L273S269-S271 VanDerWaalsContact CB-OG 3.26Å; S269-S271 WeakPolarHBondContact CB-OG 3.3Å; S269-S271 PolarHBondContact O-N 3.26Å; S271-L273 PolarHBondContact O-N 3.39Å
272C51.5Low56.6Low47 Ų4787.8 Ų87.832%0.31848%0.482SS..PPolyproline II helixtrans-48.1129.5167.7-57.80000110.3L220 Y252L220-C272 HydrophobicContact CD2-CB 4.13Å; L220-C272 WeakPolarHBondContact CD2-O 3.24Å; Y252-C272 HydrophobicContact CD2-CB 3.69Å; Y252-C272 HydrophobicContact CE2-CB 4.42Å; Y252-C272 HydrophobicContact CG-CB 4.26Å
273L62.1Low59.5Low99 Ų9984.3 Ų84.352%0.51846%0.459SS..EExtended strand (participates in β ladder)trans-82.6127.4179.1-67168.7000108.6Y252 L253 S271Y252-L273 WeakPolarHBondContact CA-O 3.41Å; L253-L273 PolarHBondContact N-O 3Å; L253-L273 PolarHBondContact O-N 2.82Å; S271-L273 PolarHBondContact O-N 3.39Å
274S64.3Low62.7Low26 Ų2674.1 Ų74.118%0.18242%0.42CS..EExtended strand (participates in β ladder)trans-66.8136.2170.855.60000109.3V221 I276V221-S274 PolarHBondContact O-OG 2.76Å; S274-I276 PolarHBondContact O-N 2.84Å
275T69Low65.7Low4 Ų468.9 Ų68.93%0.02539%0.389CS..  trans-73.8102-179.3-47.20000109.3S227 L251 F297S227-T275 PolarHBondContact N-O 2.9Å; L251-T275 PolarHBondContact O-N 3.48Å; T275-F297 HydrophobicContact CG2-CB 4.21Å; T275-F297 HydrophobicContact CG2-CD1 3.31Å; T275-F297 HydrophobicContact CG2-CD2 3.91Å; T275-F297 HydrophobicContact CG2-CE1 3.42Å; T275-F297 VanDerWaalsContact CG2-CE1 3.42Å; T275-F297 HydrophobicContact CG2-CE2 4.01Å; T275-F297 HydrophobicContact CG2-CG 3.56Å; T275-F297 HydrophobicContact CG2-CZ 3.78Å
276I68.8Low68.8Low107 Ų10762.8 Ų62.855%0.54936%0.359SS..  trans-83.5-12.9179.356.6168.6000113.2T225 S274T225-I276 WeakPolarHBondContact CB-O 3.15Å; T225-I276 PolarHBondContact OG1-O 2.8Å; S274-I276 PolarHBondContact O-N 2.84Å
277A74.5Confident71.8Confident11 Ų1156.7 Ų56.79%0.09133%0.328CS..SBendtrans-82.9151179.500000112.6S227 F297 D298S227-A277 PolarHBondContact OG-O 3.08Å; A277-F297 HydrophobicContact CB-CD1 4.37Å; A277-F297 WeakPolarHBondContact O-CE1 3.5Å; A277-D298 WeakPolarHBondContact CB-OD1 3.45Å; A277-D298 WeakPolarHBondContact CB-OD2 3.36Å
278S83.6Confident73.9Confident67 Ų6754 Ų5447%0.46932%0.319SS..PPolyproline II helixtrans-74.2134.2167.3-172.60000109
279P92.9Very high76.1Confident0 Ų056.4 Ų56.40%032%0.316CS..EExtended strand (participates in β ladder)trans-65.3141.1174.931.3-37000110.3K188 R189 V204 I295 A296 F297K188-P279 HydrophobicContact CB-CG 3.83Å; K188-P279 VanDerWaalsContact CD-CD 3.48Å; K188-P279 HydrophobicContact CD-CG 4.32Å; R189-P279 HydrophobicContact CB-CG 4.43Å; R189-P279 HydrophobicContact CG-CB 4.36Å; R189-P279 HydrophobicContact CG-CG 3.92Å; V204-P279 HydrophobicContact CB-CG 3.89Å; V204-P279 HydrophobicContact CG1-CB 4.47Å; V204-P279 HydrophobicContact CG1-CG 3.67Å; V204-P279 HydrophobicContact CG2-CG 4.37Å; P279-I295 HydrophobicContact CB-CG2 3.68Å; P279-A296 CarbonylContact C-O 3.54Å; P279-A296 VanDerWaalsContact CA-O 3.24Å; P279-A296 WeakPolarHBondContact CA-O 3.29Å; P279-F297 HydrophobicContact CB-CD1 4.04Å; P279-F297 HydrophobicContact CB-CE1 3.58Å; P279-F297 HydrophobicContact CB-CZ 3.99Å; P279-F297 HydrophobicContact CG-CE1 4.16Å
280N95.3Very high78.1Confident30 Ų3052.7 Ų52.716%0.1629%0.29CS..EExtended strand (participates in β ladder)trans-87.4-37.9175.8-68.1-42.8000111.5R189 A296 V323 R324R189-N280 VanDerWaalsContact CZ-O 3.32Å; R189-N280 PolarHBondContact NE-O 3.4Å; R189-N280 PolarHBondContact NH2-O 2.99Å; N280-A296 HydrophobicContact CB-CB 4.33Å; N280-A296 PolarHBondContact N-O 2.69Å; N280-V323 WeakPolarHBondContact CB-O 3.48Å; N280-V323 PolarHBondContact ND2-O 2.83Å; N280-R324 CarbonylContact C-O 3.58Å; N280-R324 WeakPolarHBondContact CB-O 3.44Å
281A96.8Very high80.3Confident7 Ų747.4 Ų47.46%0.05826%0.257CS..EExtended strand (participates in β ladder)trans-149.6158.8178.700000111.8I295 A296 I326A281-I295 WeakPolarHBondContact O-CA 3.44Å; A281-A296 HydrophobicContact CB-CB 4.16Å; A281-A296 PolarHBondContact O-N 3.19Å; A281-I326 HydrophobicContact CB-CG1 4.04Å
282I97.1Very high82.3Confident15 Ų1545.3 Ų45.38%0.07724%0.24CC..EExtended strand (participates in β ladder)trans-144.4137.3173.6-178.7169.3000109.2R189 T191 A202 V204 L229 L293 A294 I295R189-I282 HydrophobicContact CB-CG2 3.58Å; R189-I282 HydrophobicContact CG-CG2 4.37Å; T191-I282 HydrophobicContact CG2-CB 4.3Å; T191-I282 HydrophobicContact CG2-CD1 3.89Å; T191-I282 HydrophobicContact CG2-CG1 3.65Å; T191-I282 HydrophobicContact CG2-CG2 3.81Å; A202-I282 HydrophobicContact CB-CD1 4.34Å; V204-I282 HydrophobicContact CG2-CD1 3.6Å; L229-I282 HydrophobicContact CD1-CD1 4.34Å; I282-L293 HydrophobicContact CD1-CD1 4.5Å; I282-L293 HydrophobicContact CD1-CD2 4.29Å; I282-L293 HydrophobicContact CG1-CD2 4.36Å; I282-A294 CarbonylContact C-O 3.48Å; I282-A294 VanDerWaalsContact CA-O 3.32Å; I282-A294 WeakPolarHBondContact CA-O 3.21Å; I282-I295 HydrophobicContact CD1-CD1 4.24Å; I282-I295 HydrophobicContact CD1-CG1 4Å; I282-I295 HydrophobicContact CG1-CG1 3.98Å
283R96.9Very high84.4Confident72 Ų7243.1 Ų43.127%0.27223%0.225SC..EExtended strand (participates in β ladder)trans-142.5136.3178.7-154.373.7173.4164.54.3111.1L293 A294 D327 Y328R283-L293 CarbonylContact O-C 3.59Å; R283-L293 WeakPolarHBondContact O-CA 3.44Å; R283-A294 PolarHBondContact N-O 2.88Å; R283-A294 PolarHBondContact O-N 2.86Å; R283-D327 IonicContact CZ-OD1 3.81Å; R283-D327 IonicContact NE-OD1 3.84Å; R283-D327 PolarHBondContact NE-OD1 3.25Å; R283-D327 IonicContact NH2-OD1 3.97Å; R283-Y328 HydrophobicContact CB-CD2 4.31Å; R283-Y328 HydrophobicContact CG-CD2 4.39Å
284W96.1Very high86Confident18 Ų1838.4 Ų38.47%0.06820%0.2CC..EExtended strand (participates in β ladder)trans-73.5141.1165.7-78.979.2000110.5H193 P194 A202 I231 S290 L293 V306 Y328H193-W284 AromaticContact CD2-CE3 3.72Å; H193-W284 AromaticContact CD2-CH2 3.65Å; H193-W284 AromaticContact CD2-CZ3 3.27Å; H193-W284 WeakPolarHBondContact CD2-CZ3 3.44Å; H193-W284 AromaticContact NE2-CZ3 3.73Å; P194-W284 HydrophobicContact CG-CB 4.1Å; A202-W284 HydrophobicContact CB-CZ2 3.9Å; A202-W284 VanDerWaalsContact CB-NE1 3.26Å; I231-W284 HydrophobicContact CD1-CZ2 4.45Å; W284-S290 WeakPolarHBondContact CZ3-O 3.46Å; W284-L293 HydrophobicContact CB-CD2 4.24Å; W284-L293 VanDerWaalsContact CD1-CD2 3.41Å; W284-L293 HydrophobicContact CD2-CD2 3.68Å; W284-L293 HydrophobicContact CG-CD2 3.48Å; W284-L293 VanDerWaalsContact CG-CD2 3.48Å; W284-V306 HydrophobicContact CH2-CG1 4.47Å; W284-Y328 WeakPolarHBondContact O-CD2 3.39Å
285S94Very high87.6Confident7 Ų737.1 Ų37.15%0.04919%0.191CC..  trans-72.2131.5165.4-167.90000108.8H287 S290 Q292S285-H287 PolarHBondContact O-N 3.31Å; S285-S290 VanDerWaalsContact O-CA 3.22Å; S285-S290 WeakPolarHBondContact O-CA 3.38Å; S285-S290 WeakPolarHBondContact O-CB 3.44Å; S285-S290 PolarHBondContact O-OG 2.86Å; S285-Q292 VanDerWaalsContact CB-O 3.3Å; S285-Q292 WeakPolarHBondContact CB-O 3.13Å; S285-Q292 PolarHBondContact N-O 3.11Å
286P91.8Very high88.8Confident53 Ų5337 Ų3734%0.34419%0.19SC..SBendtrans-77.5-3.917328.8-29.6000112.9P194P194-P286 HydrophobicContact CG-CB 4.41Å
287H89.2Confident89.9Confident28 Ų2831.9 Ų31.913%0.1316%0.164CC..SBendtrans-97.9162-172.5-62-64.2000114.1S285 H289 S290 N329 P330 H331 R332 P333S285-H287 PolarHBondContact O-N 3.31Å; H287-H289 PolarHBondContact O-N 2.91Å; H287-S290 WeakPolarHBondContact O-CA 3.11Å; H287-S290 PolarHBondContact O-N 3.43Å; H287-N329 PolarHBondContact NE2-O 2.84Å; H287-P330 PolarHBondContact CE1-O 3.41Å; H287-P330 VanDerWaalsContact CE1-O 3.23Å; H287-H331 PolarHBondContact CE1-O 2.85Å; H287-R332 PolarHBondContact NE2-O 3.22Å; H287-P333 HydrophobicContact CB-CB 4.08Å
288E71.7Confident90.6Very high123 Ų12335.1 Ų35.158%0.57518%0.18SC*.G310 helixtrans46.951.7170-63.8-178.2-177.100114.2S290 N291E288-S290 VanDerWaalsContact C-N 3.28Å; E288-S290 PolarHBondContact O-N 2.82Å; E288-N291 PolarHBondContact O-ND2 2.8Å
289H74.6Confident91Very high171 Ų17133.6 Ų33.679%0.79217%0.167SC*.G310 helixtrans6324.8-174.5-40.279.7000114.8H287 N291H287-H289 PolarHBondContact O-N 2.91Å; H289-N291 PolarHBondContact O-N 2.9Å; H289-N291 VanDerWaalsContact O-N 3.12Å
290S79.4Confident90.9Very high10 Ų1033.6 Ų33.67%0.0717%0.167CC..G310 helixtrans58.528.5176.4-66.40000114.2H193 P194 W284 S285 H287 E288 Q292H193-S290 VanDerWaalsContact CE1-CB 3.44Å; H193-S290 WeakPolarHBondContact CE1-CB 3.14Å; H193-S290 VanDerWaalsContact NE2-CB 3.27Å; H193-S290 WeakPolarHBondContact NE2-CB 3.11Å; P194-S290 WeakPolarHBondContact CG-OG 3.47Å; W284-S290 WeakPolarHBondContact CZ3-O 3.46Å; S285-S290 VanDerWaalsContact O-CA 3.22Å; S285-S290 WeakPolarHBondContact O-CA 3.38Å; S285-S290 WeakPolarHBondContact O-CB 3.44Å; S285-S290 PolarHBondContact O-OG 2.86Å; H287-S290 WeakPolarHBondContact O-CA 3.11Å; H287-S290 PolarHBondContact O-N 3.43Å; E288-S290 VanDerWaalsContact C-N 3.28Å; E288-S290 PolarHBondContact O-N 2.82Å; S290-Q292 PolarHBondContact O-N 2.9Å; S290-Q292 VanDerWaalsContact O-N 3.08Å
291N87.2Confident90.8Very high36 Ų3632.2 Ų32.219%0.19316%0.159CC..  trans-75.81.6-174.5-69.9-50.8000115E288 H289 D305 V306 R307E288-N291 PolarHBondContact O-ND2 2.8Å; H289-N291 PolarHBondContact O-N 2.9Å; H289-N291 VanDerWaalsContact O-N 3.12Å; N291-D305 WeakPolarHBondContact O-CA 3.42Å; N291-V306 PolarHBondContact O-N 2.55Å; N291-R307 HydrophobicContact CB-CG 3.9Å; N291-R307 WeakPolarHBondContact ND2-CD 3.5Å; N291-R307 WeakPolarHBondContact OD1-CD 3.36Å; N291-R307 WeakPolarHBondContact OD1-CG 3.44Å
292Q92.4Very high90.6Very high21 Ų2131.9 Ų31.910%0.09816%0.156CC..EExtended strand (participates in β ladder)trans-128.8136.7-171.3-176.9166.12.800111.6S285 S290 W304 R354S285-Q292 VanDerWaalsContact CB-O 3.3Å; S285-Q292 WeakPolarHBondContact CB-O 3.13Å; S285-Q292 PolarHBondContact N-O 3.11Å; S290-Q292 PolarHBondContact O-N 2.9Å; S290-Q292 VanDerWaalsContact O-N 3.08Å; Q292-W304 CarbonylContact C-O 3.59Å; Q292-W304 WeakPolarHBondContact CA-O 3.39Å; Q292-R354 VanDerWaalsContact OE1-NH2 3.09Å
293L95.3Very high90.4Very high0 Ų031.1 Ų31.10%015%0.153CC..EExtended strand (participates in β ladder)trans-108148.4169.8-67.5163.7000109.7T191 A202 L229 I231 I282 R283 W284 G303 W304 V306T191-L293 HydrophobicContact CG2-CD2 4.3Å; A202-L293 HydrophobicContact CB-CD1 3.78Å; A202-L293 HydrophobicContact CB-CD2 3.81Å; A202-L293 HydrophobicContact CB-CG 4.46Å; L229-L293 HydrophobicContact CD1-CD1 3.82Å; L229-L293 HydrophobicContact CD2-CD1 3.68Å; L229-L293 HydrophobicContact CG-CD1 4.36Å; I231-L293 HydrophobicContact CD1-CD1 4.29Å; I282-L293 HydrophobicContact CD1-CD1 4.5Å; I282-L293 HydrophobicContact CD1-CD2 4.29Å; I282-L293 HydrophobicContact CG1-CD2 4.36Å; R283-L293 CarbonylContact O-C 3.59Å; R283-L293 WeakPolarHBondContact O-CA 3.44Å; W284-L293 HydrophobicContact CB-CD2 4.24Å; W284-L293 VanDerWaalsContact CD1-CD2 3.41Å; W284-L293 HydrophobicContact CD2-CD2 3.68Å; W284-L293 HydrophobicContact CG-CD2 3.48Å; W284-L293 VanDerWaalsContact CG-CD2 3.48Å; L293-G303 CarbonylContact O-C 3.59Å; L293-G303 WeakPolarHBondContact O-CA 3.26Å; L293-W304 HydrophobicContact CB-CB 4.31Å; L293-W304 PolarHBondContact N-O 2.99Å; L293-W304 PolarHBondContact O-N 2.88Å; L293-V306 HydrophobicContact CD1-CG2 3.64Å; L293-V306 HydrophobicContact CG-CG2 3.75Å
294A95.8Very high90.2Very high0 Ų027.7 Ų27.70%014%0.14CC..EExtended strand (participates in β ladder)trans-112.1139.9158.800000109.5I282 R283 V301 L302 I326 Y328 L336I282-A294 CarbonylContact C-O 3.48Å; I282-A294 VanDerWaalsContact CA-O 3.32Å; I282-A294 WeakPolarHBondContact CA-O 3.21Å; R283-A294 PolarHBondContact N-O 2.88Å; R283-A294 PolarHBondContact O-N 2.86Å; A294-V301 HydrophobicContact CB-CG1 4.04Å; A294-L302 CarbonylContact C-O 3.5Å; A294-L302 WeakPolarHBondContact CA-O 3.38Å; A294-I326 HydrophobicContact CB-CD1 3.57Å; A294-Y328 HydrophobicContact CB-CE2 3.49Å; A294-Y328 VanDerWaalsContact CB-CE2 3.49Å; A294-Y328 WeakPolarHBondContact CB-OH 3.5Å; A294-L336 HydrophobicContact CB-CD1 3.79Å
295I96.6Very high90Very high0 Ų028.1 Ų28.10%014%0.143CC..EExtended strand (participates in β ladder)trans-132.7124-179.8-47174.3000108.3V204 L251 P279 A281 I282 F297 L302V204-I295 HydrophobicContact CG2-CD1 4.14Å; V204-I295 HydrophobicContact CG2-CG2 4.3Å; L251-I295 HydrophobicContact CD1-CD1 3.84Å; L251-I295 HydrophobicContact CD2-CD1 4.2Å; P279-I295 HydrophobicContact CB-CG2 3.68Å; A281-I295 WeakPolarHBondContact O-CA 3.44Å; I282-I295 HydrophobicContact CD1-CD1 4.24Å; I282-I295 HydrophobicContact CD1-CG1 4Å; I282-I295 HydrophobicContact CG1-CG1 3.98Å; I295-F297 HydrophobicContact CB-CD2 4.2Å; I295-F297 HydrophobicContact CB-CE2 3.74Å; I295-F297 HydrophobicContact CB-CZ 4.45Å; I295-F297 HydrophobicContact CD1-CE2 4.39Å; I295-F297 HydrophobicContact CG2-CD2 3.86Å; I295-F297 HydrophobicContact CG2-CE1 4.34Å; I295-F297 HydrophobicContact CG2-CE2 3.29Å; I295-F297 HydrophobicContact CG2-CZ 3.57Å; I295-L302 PolarHBondContact N-O 2.96Å; I295-L302 PolarHBondContact O-N 2.85Å
296A95.9Very high89.9Confident0 Ų029 Ų290%015%0.148CC..EExtended strand (participates in β ladder)trans-85.1124.1176.200000110.2P279 N280 A281 V323 I326P279-A296 CarbonylContact C-O 3.54Å; P279-A296 VanDerWaalsContact CA-O 3.24Å; P279-A296 WeakPolarHBondContact CA-O 3.29Å; N280-A296 HydrophobicContact CB-CB 4.33Å; N280-A296 PolarHBondContact N-O 2.69Å; A281-A296 HydrophobicContact CB-CB 4.16Å; A281-A296 PolarHBondContact O-N 3.19Å; A296-V323 HydrophobicContact CB-CB 4.11Å; A296-V323 HydrophobicContact CB-CG1 3.99Å; A296-I326 HydrophobicContact CB-CD1 4.19Å; A296-I326 HydrophobicContact CB-CG1 4.48Å; A296-I326 HydrophobicContact CB-CG2 4.18Å
297F91.6Very high89.8Confident1 Ų134.5 Ų34.50%0.00416%0.162CC..EExtended strand (participates in β ladder)trans-131.9128177.3-74.4-71.8000109.6L251 T275 A277 P279 I295 N299 G300 L302 W314L251-F297 HydrophobicContact CD1-CE2 4.16Å; L251-F297 HydrophobicContact CD1-CZ 3.72Å; T275-F297 HydrophobicContact CG2-CB 4.21Å; T275-F297 HydrophobicContact CG2-CD1 3.31Å; T275-F297 HydrophobicContact CG2-CD2 3.91Å; T275-F297 HydrophobicContact CG2-CE1 3.42Å; T275-F297 VanDerWaalsContact CG2-CE1 3.42Å; T275-F297 HydrophobicContact CG2-CE2 4.01Å; T275-F297 HydrophobicContact CG2-CG 3.56Å; T275-F297 HydrophobicContact CG2-CZ 3.78Å; A277-F297 HydrophobicContact CB-CD1 4.37Å; A277-F297 WeakPolarHBondContact O-CE1 3.5Å; P279-F297 HydrophobicContact CB-CD1 4.04Å; P279-F297 HydrophobicContact CB-CE1 3.58Å; P279-F297 HydrophobicContact CB-CZ 3.99Å; P279-F297 HydrophobicContact CG-CE1 4.16Å; I295-F297 HydrophobicContact CB-CD2 4.2Å; I295-F297 HydrophobicContact CB-CE2 3.74Å; I295-F297 HydrophobicContact CB-CZ 4.45Å; I295-F297 HydrophobicContact CD1-CE2 4.39Å; I295-F297 HydrophobicContact CG2-CD2 3.86Å; I295-F297 HydrophobicContact CG2-CE1 4.34Å; I295-F297 HydrophobicContact CG2-CE2 3.29Å; I295-F297 HydrophobicContact CG2-CZ 3.57Å; F297-N299 PolarHBondContact O-N 3.05Å; F297-N299 VanDerWaalsContact O-N 3.11Å; F297-G300 PolarHBondContact N-O 3.3Å; F297-G300 CarbonylContact O-C 3.56Å; F297-G300 PolarHBondContact O-N 3.09Å; F297-L302 HydrophobicContact CD2-CB 4.1Å; F297-L302 HydrophobicContact CD2-CD2 4.33Å; F297-L302 HydrophobicContact CE2-CB 4.35Å; F297-L302 HydrophobicContact CE2-CD2 3.92Å; F297-W314 HydrophobicContact CB-CH2 4.34Å; F297-W314 HydrophobicContact CB-CZ3 4.37Å
298D89.6Confident89.9Confident79 Ų7936.5 Ų36.542%0.42218%0.178SC..THydrogen-bonded Turntrans43-121.6-178.3-60.2-33.8000110.3A277 C322 V323A277-D298 WeakPolarHBondContact CB-OD1 3.45Å; A277-D298 WeakPolarHBondContact CB-OD2 3.36Å; D298-C322 CarbonylContact O-C 3.59Å; D298-C322 WeakPolarHBondContact O-CA 3.27Å; D298-V323 PolarHBondContact O-N 2.83Å
299N91.1Very high90.9Very high35 Ų3532.1 Ų32.119%0.18716%0.158CC..THydrogen-bonded Turntrans-85.71.8-178.965.9-5.4000115.1F297 N317 A318 H319 P321 V323F297-N299 PolarHBondContact O-N 3.05Å; F297-N299 VanDerWaalsContact O-N 3.11Å; N299-N317 PolarHBondContact ND2-OD1 3.21Å; N299-N317 CarbonylContact O-C 3.58Å; N299-A318 PolarHBondContact O-N 2.92Å; N299-H319 VanDerWaalsContact CA-O 3.3Å; N299-H319 WeakPolarHBondContact CA-O 3.27Å; N299-H319 WeakPolarHBondContact CB-O 3.2Å; N299-H319 PolarHBondContact O-N 2.74Å; N299-P321 WeakPolarHBondContact CB-O 2.96Å; N299-P321 PolarHBondContact N-O 3.32Å; N299-V323 VanDerWaalsContact C-CG2 3.44Å; N299-V323 WeakPolarHBondContact O-CG2 3.27Å
300G90.3Very high91.5Very high0 Ų029.7 Ų29.70%015%0.145CC..EExtended strand (participates in β ladder)trans-134.1175-170.900000115.7F297 M315F297-G300 PolarHBondContact N-O 3.3Å; F297-G300 CarbonylContact O-C 3.56Å; F297-G300 PolarHBondContact O-N 3.09Å; G300-M315 CarbonylContact C-O 3.51Å; G300-M315 WeakPolarHBondContact CA-O 3.31Å
301V93.1Very high92Very high0 Ų030.7 Ų30.70%015%0.152CC..EExtended strand (participates in β ladder)trans-127.1121.3-179.8-175.20000110.2A294 F313 M315 A318 V323 I326 L336A294-V301 HydrophobicContact CB-CG1 4.04Å; V301-F313 HydrophobicContact CG1-CE2 4.33Å; V301-M315 HydrophobicContact CB-CB 4.41Å; V301-M315 HydrophobicContact CB-CE 3.82Å; V301-M315 HydrophobicContact CG2-CE 3.71Å; V301-M315 PolarHBondContact N-O 3.31Å; V301-M315 PolarHBondContact O-N 2.94Å; V301-A318 HydrophobicContact CG2-CB 4.41Å; V301-V323 HydrophobicContact CG2-CG1 4.17Å; V301-V323 HydrophobicContact CG2-CG2 4.36Å; V301-I326 HydrophobicContact CG1-CD1 4.02Å; V301-I326 HydrophobicContact CG1-CG2 4.49Å; V301-I326 HydrophobicContact CG2-CG2 3.9Å; V301-L336 HydrophobicContact CG1-CD1 4.41Å
302L92.7Very high92Very high0 Ų030.6 Ų30.60%015%0.153CC..EExtended strand (participates in β ladder)trans-95.4120.9176.9-177.967.6000110.1L251 L253 A294 I295 F297 W304 P311 W314L251-L302 HydrophobicContact CD2-CD2 4.3Å; L253-L302 HydrophobicContact CD2-CD1 4.12Å; L253-L302 HydrophobicContact CD2-CD2 4.25Å; A294-L302 CarbonylContact C-O 3.5Å; A294-L302 WeakPolarHBondContact CA-O 3.38Å; I295-L302 PolarHBondContact N-O 2.96Å; I295-L302 PolarHBondContact O-N 2.85Å; F297-L302 HydrophobicContact CD2-CB 4.1Å; F297-L302 HydrophobicContact CD2-CD2 4.33Å; F297-L302 HydrophobicContact CE2-CB 4.35Å; F297-L302 HydrophobicContact CE2-CD2 3.92Å; L302-W304 HydrophobicContact CD2-CE3 3.96Å; L302-W304 HydrophobicContact CD2-CZ3 4.32Å; L302-W304 HydrophobicContact CG-CE3 4.42Å; L302-P311 HydrophobicContact CD1-CB 4.03Å; L302-W314 HydrophobicContact CB-CE3 3.84Å; L302-W314 HydrophobicContact CB-CZ3 4.07Å; L302-W314 HydrophobicContact CD1-CB 4.33Å; L302-W314 HydrophobicContact CD1-CE3 4.18Å
303G92.8Very high91.7Very high0 Ų029.6 Ų29.60%015%0.149CC..EExtended strand (participates in β ladder)trans-87.4131.8166.200000110.4L293 P311 S312 F313L293-G303 CarbonylContact O-C 3.59Å; L293-G303 WeakPolarHBondContact O-CA 3.26Å; G303-P311 CarbonylContact O-C 3.56Å; G303-P311 WeakPolarHBondContact O-CA 3.49Å; G303-S312 PolarHBondContact O-N 2.8Å; G303-F313 PolarHBondContact N-O 3.13Å; G303-F313 PolarHBondContact O-N 3.49Å
304W93.1Very high91.4Very high0 Ų030.5 Ų30.50%015%0.152CC..EExtended strand (participates in β ladder)trans-125.4127.4179.6-162.7-88.7000110.7L229 V249 L251 Y252 Q292 L293 L302 M309 P311L229-W304 HydrophobicContact CD2-CB 4.5Å; L229-W304 HydrophobicContact CD2-CD2 4.31Å; L229-W304 HydrophobicContact CD2-CG 3.79Å; V249-W304 HydrophobicContact CB-CZ2 4.48Å; V249-W304 HydrophobicContact CG1-CH2 4.41Å; V249-W304 HydrophobicContact CG1-CZ2 3.48Å; V249-W304 VanDerWaalsContact CG1-CZ2 3.48Å; V249-W304 HydrophobicContact CG2-CZ2 4.16Å; L251-W304 HydrophobicContact CD2-CD2 3.73Å; L251-W304 HydrophobicContact CD2-CE3 3.49Å; L251-W304 VanDerWaalsContact CD2-CE3 3.49Å; L251-W304 HydrophobicContact CD2-CG 4.49Å; L251-W304 HydrophobicContact CD2-CH2 3.83Å; L251-W304 HydrophobicContact CD2-CZ2 4.07Å; L251-W304 HydrophobicContact CD2-CZ3 3.54Å; Y252-W304 HydrophobicContact CD1-CH2 4.02Å; Y252-W304 AromaticContact CE1-CH2 3.78Å; Y252-W304 HydrophobicContact CE1-CH2 3.78Å; Y252-W304 HydrophobicContact CE1-CZ3 4.46Å; Q292-W304 CarbonylContact C-O 3.59Å; Q292-W304 WeakPolarHBondContact CA-O 3.39Å; L293-W304 HydrophobicContact CB-CB 4.31Å; L293-W304 PolarHBondContact N-O 2.99Å; L293-W304 PolarHBondContact O-N 2.88Å; L302-W304 HydrophobicContact CD2-CE3 3.96Å; L302-W304 HydrophobicContact CD2-CZ3 4.32Å; L302-W304 HydrophobicContact CG-CE3 4.42Å; W304-M309 VanDerWaalsContact CZ2-O 3.27Å; W304-M309 WeakPolarHBondContact CZ2-O 3.44Å; W304-P311 HydrophobicContact CE3-CB 4.11Å; W304-P311 HydrophobicContact CZ3-CB 4.09Å; W304-P311 HydrophobicContact CZ3-CG 4.33Å
305D91.1Very high91Very high26 Ų2630.5 Ų30.514%0.13915%0.152CC..EExtended strand (participates in β ladder)trans-88.5118.4173.2-173.5-39.5000108.9N291 R307 C308 M309 K310N291-D305 WeakPolarHBondContact O-CA 3.42Å; D305-R307 VanDerWaalsContact OD1-CB 3.31Å; D305-R307 WeakPolarHBondContact OD1-CB 3.37Å; D305-R307 PolarHBondContact OD1-N 2.79Å; D305-R307 IonicContact OD1-NE 3.76Å; D305-R307 PolarHBondContact OD1-NE 2.89Å; D305-R307 IonicContact OD2-CZ 3.47Å; D305-R307 IonicContact OD2-NE 3.38Å; D305-R307 IonicContact OD2-NH2 3.75Å; D305-R307 PolarHBondContact OD2-NH2 3.07Å; D305-C308 PolarHBondContact OD1-N 2.87Å; D305-M309 WeakPolarHBondContact O-CA 3.28Å; D305-M309 PolarHBondContact O-N 2.87Å; D305-K310 PolarHBondContact N-O 2.86Å; D305-K310 PolarHBondContact O-N 3.19Å
306V92.7Very high90.5Very high25 Ų2532.5 Ų32.515%0.15216%0.162CC..THydrogen-bonded Turntrans-73.5-26.3-175.5-176.20000111.7I231 W284 N291 L293 M309I231-V306 HydrophobicContact CD1-CG1 3.95Å; I231-V306 HydrophobicContact CG1-CG1 3.93Å; W284-V306 HydrophobicContact CH2-CG1 4.47Å; N291-V306 PolarHBondContact O-N 2.55Å; L293-V306 HydrophobicContact CD1-CG2 3.64Å; L293-V306 HydrophobicContact CG-CG2 3.75Å; V306-M309 HydrophobicContact CG1-SD 4.46Å
307R90.7Very high90.1Very high170 Ų17033.4 Ų33.464%0.64217%0.167SC*.THydrogen-bonded Turntrans-71.6-44.7-179.3-61.1173.4-67.9-174.22.4111.8N291 D305N291-R307 HydrophobicContact CB-CG 3.9Å; N291-R307 WeakPolarHBondContact ND2-CD 3.5Å; N291-R307 WeakPolarHBondContact OD1-CD 3.36Å; N291-R307 WeakPolarHBondContact OD1-CG 3.44Å; D305-R307 VanDerWaalsContact OD1-CB 3.31Å; D305-R307 WeakPolarHBondContact OD1-CB 3.37Å; D305-R307 PolarHBondContact OD1-N 2.79Å; D305-R307 IonicContact OD1-NE 3.76Å; D305-R307 PolarHBondContact OD1-NE 2.89Å; D305-R307 IonicContact OD2-CZ 3.47Å; D305-R307 IonicContact OD2-NE 3.38Å; D305-R307 IonicContact OD2-NH2 3.75Å; D305-R307 PolarHBondContact OD2-NH2 3.07Å
308C90.5Very high90Very high69 Ų6933.4 Ų33.447%0.46617%0.167SC..THydrogen-bonded Turntrans-99.1-4.9-179.865.80000113.6D305 K310D305-C308 PolarHBondContact OD1-N 2.87Å; C308-K310 PolarHBondContact O-N 2.87Å
309M91.7Very high90.1Very high31 Ų3129.9 Ų29.915%0.15315%0.148CC..THydrogen-bonded Turntrans51.250.4-177.4-66.9-63.8-86.100112.8L229 I231 T247 V249 W304 D305 V306L229-M309 HydrophobicContact CD2-CE 4.35Å; L229-M309 HydrophobicContact CG-CE 4.48Å; I231-M309 HydrophobicContact CG1-CE 4.36Å; I231-M309 HydrophobicContact CG1-SD 4.49Å; T247-M309 WeakPolarHBondContact OG1-CE 3.37Å; V249-M309 HydrophobicContact CB-CE 3.88Å; V249-M309 HydrophobicContact CG1-CB 4.46Å; V249-M309 HydrophobicContact CG1-CE 3.28Å; V249-M309 HydrophobicContact CG1-SD 4.44Å; W304-M309 VanDerWaalsContact CZ2-O 3.27Å; W304-M309 WeakPolarHBondContact CZ2-O 3.44Å; D305-M309 WeakPolarHBondContact O-CA 3.28Å; D305-M309 PolarHBondContact O-N 2.87Å; V306-M309 HydrophobicContact CG1-SD 4.46Å
310K89.1Confident89.9Confident121 Ų12134.3 Ų34.353%0.52616%0.162SC..EExtended strand (participates in β ladder)trans-136155.9-179.5-73178.9-176.2-179.90111.1D305 C308 S312D305-K310 PolarHBondContact N-O 2.86Å; D305-K310 PolarHBondContact O-N 3.19Å; C308-K310 PolarHBondContact O-N 2.87Å; K310-S312 PolarHBondContact O-N 2.91Å
311P88.2Confident89.8Confident31 Ų3136.8 Ų36.820%0.20118%0.178CC..EExtended strand (participates in β ladder)trans-63.6131.4171.628.2-34.5000110.4Y252 P254 L302 G303 W304Y252-P311 HydrophobicContact CD2-CG 4.27Å; Y252-P311 HydrophobicContact CE2-CG 3.58Å; Y252-P311 VanDerWaalsContact CZ-CD 3.46Å; Y252-P311 VanDerWaalsContact OH-CD 3.25Å; Y252-P311 WeakPolarHBondContact OH-CD 3.19Å; P254-P311 HydrophobicContact CG-CB 3.84Å; P254-P311 HydrophobicContact CG-CG 4.03Å; L302-P311 HydrophobicContact CD1-CB 4.03Å; G303-P311 CarbonylContact O-C 3.56Å; G303-P311 WeakPolarHBondContact O-CA 3.49Å; W304-P311 HydrophobicContact CE3-CB 4.11Å; W304-P311 HydrophobicContact CZ3-CB 4.09Å; W304-P311 HydrophobicContact CZ3-CG 4.33Å
312S87.3Confident89.8Confident33 Ų3338 Ų3823%0.23119%0.186CC..EExtended strand (participates in β ladder)trans-90-40.5175.8-179.60000111.3G303 K310G303-S312 PolarHBondContact O-N 2.8Å; K310-S312 PolarHBondContact O-N 2.91Å
313F87.7Confident90Very high1 Ų138 Ų380%0.00419%0.186CC..EExtended strand (participates in β ladder)trans-155.9160.7173.565.1-104.5000110.5V301 G303 L350 L353 Y357V301-F313 HydrophobicContact CG1-CE2 4.33Å; G303-F313 PolarHBondContact N-O 3.13Å; G303-F313 PolarHBondContact O-N 3.49Å; F313-L350 HydrophobicContact CE1-CB 4.25Å; F313-L350 HydrophobicContact CE1-CD1 3.78Å; F313-L350 HydrophobicContact CE1-CD2 3.96Å; F313-L350 HydrophobicContact CE1-CG 4.21Å; F313-L350 HydrophobicContact CE2-CD2 3.94Å; F313-L350 HydrophobicContact CZ-CD1 3.86Å; F313-L350 HydrophobicContact CZ-CD2 3.57Å; F313-L350 HydrophobicContact CZ-CG 4.23Å; F313-L353 HydrophobicContact CB-CB 4.11Å; F313-L353 HydrophobicContact CD2-CD1 3.76Å; F313-L353 HydrophobicContact CE2-CD1 4.14Å; F313-L353 HydrophobicContact CG-CD1 4.15Å; F313-Y357 HydrophobicContact CB-CD2 4.42Å; F313-Y357 HydrophobicContact CB-CE2 3.95Å
314W88.4Confident90.2Very high18 Ų1840.5 Ų40.57%0.06820%0.196CC..EExtended strand (participates in β ladder)trans-130.3120.6164.7165.8-111.6000109.3L253 P254 F297 L302 Y357L253-W314 HydrophobicContact CD1-CH2 4.13Å; L253-W314 HydrophobicContact CD1-CZ2 3.93Å; L253-W314 HydrophobicContact CD2-CD2 4.01Å; L253-W314 HydrophobicContact CD2-CE3 3.66Å; L253-W314 HydrophobicContact CD2-CH2 4.05Å; L253-W314 HydrophobicContact CD2-CZ2 4.37Å; L253-W314 HydrophobicContact CD2-CZ3 3.68Å; P254-W314 HydrophobicContact CG-CB 3.82Å; F297-W314 HydrophobicContact CB-CH2 4.34Å; F297-W314 HydrophobicContact CB-CZ3 4.37Å; L302-W314 HydrophobicContact CB-CE3 3.84Å; L302-W314 HydrophobicContact CB-CZ3 4.07Å; L302-W314 HydrophobicContact CD1-CB 4.33Å; L302-W314 HydrophobicContact CD1-CE3 4.18Å; W314-Y357 WeakPolarHBondContact CA-OH 3.47Å; W314-Y357 VanDerWaalsContact CB-OH 3.29Å; W314-Y357 WeakPolarHBondContact CB-OH 3.49Å; W314-Y357 PolarHBondContact N-OH 3.08Å; W314-Y357 PolarHBondContact O-OH 2.9Å; W314-Y357 VanDerWaalsContact O-OH 3.07Å
315M87.9Confident90.4Very high1 Ų141.1 Ų41.11%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-101.7101.3177-176.4169.962.300108.6G300 V301 A318 W348 L353G300-M315 CarbonylContact C-O 3.51Å; G300-M315 WeakPolarHBondContact CA-O 3.31Å; V301-M315 HydrophobicContact CB-CB 4.41Å; V301-M315 HydrophobicContact CB-CE 3.82Å; V301-M315 HydrophobicContact CG2-CE 3.71Å; V301-M315 PolarHBondContact N-O 3.31Å; V301-M315 PolarHBondContact O-N 2.94Å; M315-A318 HydrophobicContact CE-CB 3.86Å; M315-A318 HydrophobicContact CG-CB 4.39Å; M315-W348 HydrophobicContact CE-CB 4.43Å; M315-W348 HydrophobicContact CE-CD2 3.74Å; M315-W348 HydrophobicContact CE-CE3 4.34Å; M315-W348 HydrophobicContact CE-CG 3.76Å; M315-W348 HydrophobicContact CE-CZ2 4.34Å; M315-W348 HydrophobicContact SD-CB 4.18Å; M315-W348 HydrophobicContact SD-CD2 3.46Å; M315-W348 HydrophobicContact SD-CE3 3.47Å; M315-W348 HydrophobicContact SD-CG 3.79Å; M315-W348 HydrophobicContact SD-CH2 4.46Å; M315-W348 HydrophobicContact SD-CZ2 4.45Å; M315-W348 HydrophobicContact SD-CZ3 4Å; M315-L353 HydrophobicContact CB-CD1 3.84Å; M315-L353 HydrophobicContact CB-CD2 4.07Å; M315-L353 HydrophobicContact CG-CD1 4.21Å; M315-L353 HydrophobicContact CG-CD2 4.14Å; M315-L353 HydrophobicContact SD-CD1 4.06Å
316E85.9Confident90.8Very high42 Ų4240 Ų4020%0.19619%0.193CC..THydrogen-bonded Turntrans-86.7147.6-179.7-170.3168.9-162.800111.3S256 A318 T388S256-E316 VanDerWaalsContact CB-OE2 3.25Å; S256-E316 WeakPolarHBondContact CB-OE2 3.32Å; E316-A318 VanDerWaalsContact C-N 3.35Å; E316-A318 PolarHBondContact O-N 3.28Å; E316-T388 HydrophobicContact CB-CG2 3.77Å; E316-T388 PolarHBondContact N-OG1 2.97Å; E316-T388 PolarHBondContact O-N 3.29Å; E316-T388 PolarHBondContact O-OG1 3.3Å
317N86.3Confident91Very high19 Ų1939.2 Ų39.210%0.10219%0.188CC..THydrogen-bonded Turntrans58.739.1179-57.8-35.9000113.8N299 T385 P387N299-N317 PolarHBondContact ND2-OD1 3.21Å; N299-N317 CarbonylContact O-C 3.58Å; N317-T385 PolarHBondContact ND2-OG1 2.88Å; N317-P387 WeakPolarHBondContact O-CB 3.37Å
318A89.9Confident91.3Very high1 Ų131.4 Ų31.41%0.00816%0.159CC..SBendtrans-66.1-38.817500000112.4N299 V301 M315 E316 V323 R346 W348N299-A318 PolarHBondContact O-N 2.92Å; V301-A318 HydrophobicContact CG2-CB 4.41Å; M315-A318 HydrophobicContact CE-CB 3.86Å; M315-A318 HydrophobicContact CG-CB 4.39Å; E316-A318 VanDerWaalsContact C-N 3.35Å; E316-A318 PolarHBondContact O-N 3.28Å; A318-V323 HydrophobicContact CB-CG2 3.92Å; A318-R346 PolarHBondContact O-NH1 3.13Å; A318-W348 HydrophobicContact CB-CH2 4.13Å; A318-W348 HydrophobicContact CB-CZ2 3.72Å; A318-W348 WeakPolarHBondContact O-CZ2 3.31Å
319H91.5Very high91.6Very high4 Ų428.1 Ų28.12%0.01914%0.136CC..SBendtrans-144.8165.1173.3-67-93.1000110N299 V323 S338 G340 D342 I344 R346N299-H319 VanDerWaalsContact CA-O 3.3Å; N299-H319 WeakPolarHBondContact CA-O 3.27Å; N299-H319 WeakPolarHBondContact CB-O 3.2Å; N299-H319 PolarHBondContact O-N 2.74Å; H319-V323 HydrophobicContact CB-CG2 4.04Å; H319-S338 PolarHBondContact CD2-OG 2.49Å; H319-S338 WeakPolarHBondContact NE2-CB 3.49Å; H319-S338 PolarHBondContact NE2-O 2.85Å; H319-S338 PolarHBondContact NE2-OG 3.21Å; H319-G340 PolarHBondContact ND1-N 3.42Å; H319-D342 IonicContact CE1-OD1 2.8Å; H319-D342 IonicContact CG-OD1 3.7Å; H319-D342 IonicContact ND1-OD1 3.48Å; H319-D342 PolarHBondContact ND1-OD1 3.21Å; H319-D342 IonicContact ND1-OD2 3.76Å; H319-D342 PolarHBondContact ND1-OD2 3.49Å; H319-I344 PolarHBondContact CE1-O 3.38Å; H319-I344 PolarHBondContact ND1-O 3.46Å; H319-R346 PolarHBondContact CE1-NH1 2.84Å; H319-R346 PolarHBondContact ND1-NH1 2.93Å
320W86.7Confident91.6Very high128 Ų12828.1 Ų28.149%0.48514%0.138SC..SBendtrans-137.4138.9173-17292.4000111.5D342 Y383W320-D342 PolarHBondContact O-N 3.12Å; W320-Y383 HydrophobicContact CE3-CG 4.41Å; W320-Y383 HydrophobicContact CZ3-CD1 4.35Å; W320-Y383 HydrophobicContact CZ3-CG 4.19Å
321P89.1Confident91.7Very high53 Ų5326.2 Ų26.234%0.34413%0.131SC..SBendcis-70.3-29.6-5.8-23.435.8000114.9N299 D341N299-P321 WeakPolarHBondContact CB-O 2.96Å; N299-P321 PolarHBondContact N-O 3.32Å; P321-D341 VanDerWaalsContact CD-CB 3.48Å
322C93.5Very high91.9Very high25 Ų2526.6 Ų26.617%0.16913%0.129CC..  trans-133.9145.5-174.4-66.60000113.7D298 G340 D341D298-C322 CarbonylContact O-C 3.59Å; D298-C322 WeakPolarHBondContact O-CA 3.27Å; C322-G340 CarbonylContact O-C 3.22Å; C322-G340 WeakPolarHBondContact O-CA 3.35Å; C322-D341 PolarHBondContact O-N 2.9Å
323V96.2Very high92.1Very high0 Ų027.9 Ų27.90%014%0.136CC..EExtended strand (participates in β ladder)trans-80.2121.8159-169.20000107.4N280 A296 D298 N299 V301 A318 H319 I326N280-V323 WeakPolarHBondContact CB-O 3.48Å; N280-V323 PolarHBondContact ND2-O 2.83Å; A296-V323 HydrophobicContact CB-CB 4.11Å; A296-V323 HydrophobicContact CB-CG1 3.99Å; D298-V323 PolarHBondContact O-N 2.83Å; N299-V323 VanDerWaalsContact C-CG2 3.44Å; N299-V323 WeakPolarHBondContact O-CG2 3.27Å; V301-V323 HydrophobicContact CG2-CG1 4.17Å; V301-V323 HydrophobicContact CG2-CG2 4.36Å; A318-V323 HydrophobicContact CB-CG2 3.92Å; H319-V323 HydrophobicContact CB-CG2 4.04Å; V323-I326 HydrophobicContact CG1-CG2 3.77Å
324R97Very high92.2Very high53 Ų5328.9 Ų28.920%0.214%0.142CC..EExtended strand (participates in β ladder)trans-92.8-43.5-176.5-71.6-65.8-177.9-172.4-7.1112.5N280 G339 D341 I402 W403N280-R324 CarbonylContact C-O 3.58Å; N280-R324 WeakPolarHBondContact CB-O 3.44Å; R324-G339 PolarHBondContact N-O 3Å; R324-D341 WeakPolarHBondContact CG-OD1 3.17Å; R324-D341 IonicContact CZ-OD1 3.85Å; R324-D341 VanDerWaalsContact CZ-OD1 3.28Å; R324-D341 IonicContact CZ-OD2 3.19Å; R324-D341 IonicContact NE-OD1 3.09Å; R324-D341 PolarHBondContact NE-OD1 3.46Å; R324-D341 IonicContact NE-OD2 2.69Å; R324-D341 IonicContact NH2-OD1 3.96Å; R324-D341 PolarHBondContact NH2-OD1 2.97Å; R324-D341 IonicContact NH2-OD2 3.26Å; R324-D341 PolarHBondContact NH2-OD2 3.06Å; R324-I402 WeakPolarHBondContact CB-O 3.34Å; R324-I402 VanDerWaalsContact CG-O 3.27Å; R324-I402 WeakPolarHBondContact CG-O 3.41Å; R324-W403 HydrophobicContact CG-CE3 4.38Å
325D98Very high92.4Very high13 Ų1328.4 Ų28.47%0.0714%0.14CC..EExtended strand (participates in β ladder)trans-146.3154.4-176.1-159.710.4000111.2S338 G339 W403 S404 V405 R406D325-S338 WeakPolarHBondContact O-CA 3.19Å; D325-G339 PolarHBondContact N-O 3.09Å; D325-G339 PolarHBondContact O-N 3.18Å; D325-W403 WeakPolarHBondContact CB-O 3.4Å; D325-S404 WeakPolarHBondContact OD2-CA 3.37Å; D325-S404 WeakPolarHBondContact OD2-CB 3.38Å; D325-S404 PolarHBondContact OD2-OG 3.47Å; D325-V405 HydrophobicContact CB-CG2 4.12Å; D325-V405 PolarHBondContact OD2-N 3.32Å; D325-R406 IonicContact OD1-CZ 3Å; D325-R406 IonicContact OD1-NH1 3.46Å; D325-R406 PolarHBondContact OD1-NH1 3.11Å; D325-R406 VanDerWaalsContact OD1-NH1 3.09Å; D325-R406 IonicContact OD1-NH2 3.74Å; D325-R406 IonicContact OD2-CZ 2.85Å; D325-R406 VanDerWaalsContact OD2-CZ 3.26Å; D325-R406 IonicContact OD2-NH1 2.65Å; D325-R406 PolarHBondContact OD2-NH1 3.4Å; D325-R406 IonicContact OD2-NH2 3.1Å; D325-R406 PolarHBondContact OD2-NH2 3.09Å
326I98Very high92.8Very high1 Ų128.4 Ų28.41%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-144.8148-17757177.8000109.8A281 A294 A296 V301 V323 L336 V337A281-I326 HydrophobicContact CB-CG1 4.04Å; A294-I326 HydrophobicContact CB-CD1 3.57Å; A296-I326 HydrophobicContact CB-CD1 4.19Å; A296-I326 HydrophobicContact CB-CG1 4.48Å; A296-I326 HydrophobicContact CB-CG2 4.18Å; V301-I326 HydrophobicContact CG1-CD1 4.02Å; V301-I326 HydrophobicContact CG1-CG2 4.49Å; V301-I326 HydrophobicContact CG2-CG2 3.9Å; V323-I326 HydrophobicContact CG1-CG2 3.77Å; I326-L336 HydrophobicContact CB-CD2 4.33Å; I326-L336 HydrophobicContact CG2-CD2 4.23Å; I326-V337 VanDerWaalsContact CA-O 3.27Å; I326-V337 WeakPolarHBondContact CA-O 3.35Å
327D98Very high93.4Very high10 Ų1026.4 Ų26.45%0.05313%0.131CC..EExtended strand (participates in β ladder)trans-146.7141.7171.9-159.521.9000111.2R283 L336 V337 Y407R283-D327 IonicContact CZ-OD1 3.81Å; R283-D327 IonicContact NE-OD1 3.84Å; R283-D327 PolarHBondContact NE-OD1 3.25Å; R283-D327 IonicContact NH2-OD1 3.97Å; D327-L336 CarbonylContact O-C 3.53Å; D327-L336 WeakPolarHBondContact O-CA 3.28Å; D327-V337 HydrophobicContact CB-CG2 3.94Å; D327-V337 PolarHBondContact N-O 2.89Å; D327-V337 PolarHBondContact O-N 3.19Å; D327-Y407 HydrophobicContact CB-CD2 4.41Å; D327-Y407 PolarHBondContact OD2-N 2.78Å
328Y97.1Very high93.9Very high6 Ų625.5 Ų25.52%0.02413%0.126CC..EExtended strand (participates in β ladder)trans-80.4145173.4-79.9-78.5000109.3R283 W284 A294 L336 L350 Y407R283-Y328 HydrophobicContact CB-CD2 4.31Å; R283-Y328 HydrophobicContact CG-CD2 4.39Å; W284-Y328 WeakPolarHBondContact O-CD2 3.39Å; A294-Y328 HydrophobicContact CB-CE2 3.49Å; A294-Y328 VanDerWaalsContact CB-CE2 3.49Å; A294-Y328 WeakPolarHBondContact CB-OH 3.5Å; Y328-L336 HydrophobicContact CD1-CB 4.43Å; Y328-L336 HydrophobicContact CD1-CD1 4.24Å; Y328-L336 HydrophobicContact CE1-CD1 4.01Å; Y328-L336 HydrophobicContact CE2-CD1 4.43Å; Y328-L350 HydrophobicContact CD1-CD1 4.35Å; Y328-L350 HydrophobicContact CE1-CD1 3.55Å; Y328-Y407 WeakPolarHBondContact O-CD2 3.47Å
329N95.6Very high94.3Very high0 Ų025.5 Ų25.50%013%0.126CC..  trans-61.6131.9165.2179.5-47.2000108.6H287 H331 R332 L335 Y407 D412H287-N329 PolarHBondContact NE2-O 2.84Å; N329-H331 PolarHBondContact O-N 3.14Å; N329-H331 PolarHBondContact OD1-N 3.26Å; N329-R332 PolarHBondContact OD1-N 3.25Å; N329-L335 HydrophobicContact CB-CB 3.73Å; N329-L335 PolarHBondContact N-O 3.07Å; N329-Y407 HydrophobicContact CB-CD2 4.24Å; N329-Y407 HydrophobicContact CB-CE1 4.33Å; N329-Y407 HydrophobicContact CB-CE2 3.84Å; N329-D412 PolarHBondContact ND2-OD2 3Å; N329-D412 WeakPolarHBondContact OD1-CB 3.25Å; N329-D412 PolarHBondContact OD1-OD2 2.88Å; N329-D412 VanDerWaalsContact OD1-OD2 3.12Å
330P93Very high94.5Very high30 Ų3025.3 Ų25.320%0.19513%0.125CC..SBendtrans-73.9-20.7-176.327.7-34.3000114.8H287 H408 P409 D412H287-P330 PolarHBondContact CE1-O 3.41Å; H287-P330 VanDerWaalsContact CE1-O 3.23Å; P330-H408 WeakPolarHBondContact CG-O 3.45Å; P330-P409 WeakPolarHBondContact CB-O 3.45Å; P330-D412 HydrophobicContact CG-CB 4.08Å
331H91.7Very high95Very high82 Ų8220 Ų2038%0.3811%0.106SC..SBendtrans-118.1-35.3-172.9-58.1-38.6000113.6H287 N329 P409 T410 D412H287-H331 PolarHBondContact CE1-O 2.85Å; N329-H331 PolarHBondContact O-N 3.14Å; N329-H331 PolarHBondContact OD1-N 3.26Å; H331-P409 PolarHBondContact CE1-O 2.92Å; H331-P409 PolarHBondContact NE2-O 3.44Å; H331-T410 VanDerWaalsContact NE2-CA 3.28Å; H331-T410 WeakPolarHBondContact NE2-CA 3.2Å; H331-T410 PolarHBondContact NE2-O 3.24Å; H331-D412 HydrophobicContact CB-CB 4.44Å; H331-D412 IonicContact CD2-OD1 2.68Å
332R91.4Very high95.2Very high39 Ų3919.5 Ų19.515%0.14710%0.101CC..SBendtrans-96.2119.6175.2-71-162.2177.8-1661.5112.1H287 N329 L335 Y432 S433 L437H287-R332 PolarHBondContact NE2-O 3.22Å; N329-R332 PolarHBondContact OD1-N 3.25Å; R332-L335 HydrophobicContact CB-CD1 3.81Å; R332-L335 HydrophobicContact CB-CG 4.2Å; R332-L335 HydrophobicContact CG-CD1 4.44Å; R332-Y432 VanDerWaalsContact CD-O 3.27Å; R332-Y432 WeakPolarHBondContact CD-O 3.4Å; R332-Y432 PolarHBondContact NE-O 3.48Å; R332-S433 PolarHBondContact NE-O 3.28Å; R332-S433 PolarHBondContact NH2-O 2.99Å; R332-L437 VanDerWaalsContact NH2-N 3.13Å
333P90.9Very high95.3Very high59 Ų5918.4 Ų18.438%0.3839%0.093SC..THydrogen-bonded Turntrans-68.4152.3177.728.9-35.3000111.8H287 L335H287-P333 HydrophobicContact CB-CB 4.08Å; P333-L335 PolarHBondContact O-N 3.32Å
334N89.8Confident95.3Very high23 Ų2318.8 Ų18.812%0.12310%0.095CC..THydrogen-bonded Turntrans66.34.6179.9-47.9-77.1000115.9D349 L350 R351N334-D349 WeakPolarHBondContact O-CA 3.4Å; N334-L350 HydrophobicContact CB-CB 4.16Å; N334-L350 WeakPolarHBondContact O-CB 3.3Å; N334-L350 VanDerWaalsContact O-CG 3.29Å; N334-L350 WeakPolarHBondContact O-CG 3.11Å; N334-L350 PolarHBondContact O-N 3.32Å; N334-R351 HydrophobicContact CB-CG 3.71Å
335L94Very high95.3Very high8 Ų816.3 Ų16.34%0.0429%0.086CC..EExtended strand (participates in β ladder)trans-94.3136170.1-61.7-172.5000110.8N329 R332 P333 L347 W348 D349 L392N329-L335 HydrophobicContact CB-CB 3.73Å; N329-L335 PolarHBondContact N-O 3.07Å; R332-L335 HydrophobicContact CB-CD1 3.81Å; R332-L335 HydrophobicContact CB-CG 4.2Å; R332-L335 HydrophobicContact CG-CD1 4.44Å; P333-L335 PolarHBondContact O-N 3.32Å; L335-L347 HydrophobicContact CD2-CD2 4.04Å; L335-W348 WeakPolarHBondContact CA-O 3.32Å; L335-D349 HydrophobicContact CD2-CB 3.95Å; L335-L392 HydrophobicContact CD2-CD1 3.97Å
336L95.7Very high95.2Very high0 Ų016.4 Ų16.40%09%0.085CC..EExtended strand (participates in β ladder)trans-140.9138.3-180-179.1146.1000109.6A294 V301 I326 D327 Y328 L347 W348 L350A294-L336 HydrophobicContact CB-CD1 3.79Å; V301-L336 HydrophobicContact CG1-CD1 4.41Å; I326-L336 HydrophobicContact CB-CD2 4.33Å; I326-L336 HydrophobicContact CG2-CD2 4.23Å; D327-L336 CarbonylContact O-C 3.53Å; D327-L336 WeakPolarHBondContact O-CA 3.28Å; Y328-L336 HydrophobicContact CD1-CB 4.43Å; Y328-L336 HydrophobicContact CD1-CD1 4.24Å; Y328-L336 HydrophobicContact CE1-CD1 4.01Å; Y328-L336 HydrophobicContact CE2-CD1 4.43Å; L336-L347 CarbonylContact O-C 3.55Å; L336-L347 WeakPolarHBondContact O-CA 3.18Å; L336-W348 PolarHBondContact N-O 3.26Å; L336-W348 VanDerWaalsContact O-CD1 3.31Å; L336-W348 PolarHBondContact O-N 2.63Å; L336-L350 HydrophobicContact CB-CD1 4.13Å; L336-L350 HydrophobicContact CB-CD2 4.39Å; L336-L350 HydrophobicContact CB-CG 4.38Å; L336-L350 HydrophobicContact CD1-CD1 4.41Å
337V97.7Very high95.1Very high1 Ų116.4 Ų16.41%0.0069%0.085CC..EExtended strand (participates in β ladder)trans-102.8147.9167.8-71.30000110.3I326 D327 R346 L347 V405 Y407 V415I326-V337 VanDerWaalsContact CA-O 3.27Å; I326-V337 WeakPolarHBondContact CA-O 3.35Å; D327-V337 HydrophobicContact CB-CG2 3.94Å; D327-V337 PolarHBondContact N-O 2.89Å; D327-V337 PolarHBondContact O-N 3.19Å; V337-R346 CarbonylContact C-O 3.55Å; V337-R346 VanDerWaalsContact CA-O 3.24Å; V337-R346 WeakPolarHBondContact CA-O 3.5Å; V337-L347 HydrophobicContact CG1-CB 4.34Å; V337-L347 HydrophobicContact CG1-CG 4.3Å; V337-V405 HydrophobicContact CG2-CB 4.35Å; V337-V405 HydrophobicContact CG2-CG2 4.15Å; V337-Y407 HydrophobicContact CB-CD2 4.46Å; V337-Y407 HydrophobicContact CB-CE2 3.86Å; V337-Y407 HydrophobicContact CG1-CD2 4.26Å; V337-Y407 HydrophobicContact CG1-CE1 4.34Å; V337-Y407 HydrophobicContact CG1-CE2 3.35Å; V337-Y407 VanDerWaalsContact CG1-OH 3.28Å; V337-Y407 WeakPolarHBondContact CG1-OH 3.37Å; V337-Y407 HydrophobicContact CG2-CD2 3.56Å; V337-Y407 HydrophobicContact CG2-CE2 3.44Å; V337-Y407 VanDerWaalsContact CG2-CE2 3.44Å; V337-V415 HydrophobicContact CG2-CG1 4.47Å
338S97.7Very high94.9Very high0 Ų016 Ų160%08%0.083CC..EExtended strand (participates in β ladder)trans-138.2150.2172.465.50000111.5H319 D325 M345 R346 W348H319-S338 PolarHBondContact CD2-OG 2.49Å; H319-S338 WeakPolarHBondContact NE2-CB 3.49Å; H319-S338 PolarHBondContact NE2-O 2.85Å; H319-S338 PolarHBondContact NE2-OG 3.21Å; D325-S338 WeakPolarHBondContact O-CA 3.19Å; S338-M345 WeakPolarHBondContact O-CA 3.26Å; S338-R346 PolarHBondContact N-O 2.83Å; S338-R346 PolarHBondContact O-N 3.46Å; S338-W348 PolarHBondContact OG-NE1 2.69Å
339G97.4Very high94.5Very high0 Ų016 Ų160%08%0.084CC..EExtended strand (participates in β ladder)trans-127.1148.6170.200000110.2R324 D325R324-G339 PolarHBondContact N-O 3Å; D325-G339 PolarHBondContact N-O 3.09Å; D325-G339 PolarHBondContact O-N 3.18Å
340G96.5Very high94.2Very high0 Ų016.1 Ų16.10%08%0.084CC..EExtended strand (participates in β ladder)trans-148.6-170.9-177.400000114.4H319 C322 D342 G343 I402H319-G340 PolarHBondContact ND1-N 3.42Å; C322-G340 CarbonylContact O-C 3.22Å; C322-G340 WeakPolarHBondContact O-CA 3.35Å; G340-D342 PolarHBondContact O-N 3.26Å; G340-G343 PolarHBondContact O-N 2.85Å; G340-I402 PolarHBondContact O-N 2.76Å
341D96.1Very high93.7Very high16 Ų1621.3 Ų21.39%0.08610%0.1CC..THydrogen-bonded Turntrans-70.1-13.9-177.2-74.8-7.6000113.8P321 C322 R324 G343 W401P321-D341 VanDerWaalsContact CD-CB 3.48Å; C322-D341 PolarHBondContact O-N 2.9Å; R324-D341 WeakPolarHBondContact CG-OD1 3.17Å; R324-D341 IonicContact CZ-OD1 3.85Å; R324-D341 VanDerWaalsContact CZ-OD1 3.28Å; R324-D341 IonicContact CZ-OD2 3.19Å; R324-D341 IonicContact NE-OD1 3.09Å; R324-D341 PolarHBondContact NE-OD1 3.46Å; R324-D341 IonicContact NE-OD2 2.69Å; R324-D341 IonicContact NH2-OD1 3.96Å; R324-D341 PolarHBondContact NH2-OD1 2.97Å; R324-D341 IonicContact NH2-OD2 3.26Å; R324-D341 PolarHBondContact NH2-OD2 3.06Å; D341-G343 PolarHBondContact O-N 2.86Å; D341-W401 VanDerWaalsContact CA-CD1 3.45Å; D341-W401 HydrophobicContact CB-CG 4.05Å; D341-W401 VanDerWaalsContact OD1-CG 3.27Å
342D94.5Very high92.7Very high44 Ų4424 Ų2424%0.23511%0.108CC..THydrogen-bonded Turntrans-79-4.2175.660.1-3.7000113.6H319 W320 G340 I344 R346H319-D342 IonicContact CE1-OD1 2.8Å; H319-D342 IonicContact CG-OD1 3.7Å; H319-D342 IonicContact ND1-OD1 3.48Å; H319-D342 PolarHBondContact ND1-OD1 3.21Å; H319-D342 IonicContact ND1-OD2 3.76Å; H319-D342 PolarHBondContact ND1-OD2 3.49Å; W320-D342 PolarHBondContact O-N 3.12Å; G340-D342 PolarHBondContact O-N 3.26Å; D342-I344 PolarHBondContact O-N 3.47Å; D342-I344 PolarHBondContact OD1-N 3.07Å; D342-R346 IonicContact OD1-NH1 3.52Å; D342-R346 IonicContact OD2-CZ 2.69Å; D342-R346 VanDerWaalsContact OD2-CZ 3.24Å; D342-R346 IonicContact OD2-NH1 2.85Å; D342-R346 PolarHBondContact OD2-NH1 2.82Å; D342-R346 IonicContact OD2-NH2 3.24Å; D342-R346 PolarHBondContact OD2-NH2 2.9Å
343G95.3Very high91.7Very high1 Ų122.5 Ų22.51%0.0110%0.102CC..SBendtrans74.512.3-179.700000114.3G340 D341 H398 H400G340-G343 PolarHBondContact O-N 2.85Å; D341-G343 PolarHBondContact O-N 2.86Å; G343-H398 PolarHBondContact O-N 3.32Å; G343-H400 WeakPolarHBondContact CA-O 3.25Å
344I96.1Very high90.1Very high8 Ų824 Ų244%0.04110%0.1CC..EExtended strand (participates in β ladder)trans-106.1135.8-177.6-60.2173000108.7H319 D342 R346 A394 I395 A396 I402H319-I344 PolarHBondContact CE1-O 3.38Å; H319-I344 PolarHBondContact ND1-O 3.46Å; D342-I344 PolarHBondContact O-N 3.47Å; D342-I344 PolarHBondContact OD1-N 3.07Å; I344-R346 HydrophobicContact CG2-CG 3.86Å; I344-A394 HydrophobicContact CG2-CB 4.18Å; I344-I395 WeakPolarHBondContact CA-O 3.48Å; I344-A396 HydrophobicContact CG1-CB 4.07Å; I344-I402 WeakPolarHBondContact O-CD1 3.36Å
345M96.6Very high88.2Confident1 Ų127.5 Ų27.51%0.00512%0.123CC..EExtended strand (participates in β ladder)trans-95.6130.9166-176-174.670.300108.7S338 A394 I395 I402 V405 V415 Y427S338-M345 WeakPolarHBondContact O-CA 3.26Å; M345-A394 WeakPolarHBondContact O-CA 3.32Å; M345-I395 HydrophobicContact CB-CG2 4.13Å; M345-I395 HydrophobicContact CE-CG2 3.76Å; M345-I395 PolarHBondContact N-O 3.38Å; M345-I395 PolarHBondContact O-N 3.27Å; M345-I402 HydrophobicContact CB-CD1 4.11Å; M345-V405 HydrophobicContact CG-CG1 4.26Å; M345-V415 HydrophobicContact CE-CG1 4.41Å; M345-V415 HydrophobicContact SD-CB 4.42Å; M345-V415 HydrophobicContact SD-CG1 3.61Å; M345-Y427 HydrophobicContact CE-CD1 3.58Å; M345-Y427 HydrophobicContact CE-CD2 3.45Å; M345-Y427 VanDerWaalsContact CE-CD2 3.45Å; M345-Y427 HydrophobicContact CE-CE1 3.7Å; M345-Y427 HydrophobicContact CE-CE2 3.63Å; M345-Y427 HydrophobicContact CE-CG 3.44Å; M345-Y427 VanDerWaalsContact CE-CG 3.44Å; M345-Y427 HydrophobicContact SD-CD2 3.66Å; M345-Y427 HydrophobicContact SD-CE1 4.44Å; M345-Y427 HydrophobicContact SD-CE2 3.44Å; M345-Y427 WeakPolarHBondContact SD-CE2 3.12Å; M345-Y427 HydrophobicContact SD-CG 4.29Å
346R96Very high85.9Confident16 Ų1634 Ų346%0.0615%0.147CC..EExtended strand (participates in β ladder)trans-123144.2179.9-66.6-171.8-179.683.45.3111.6A318 H319 V337 S338 D342 I344 W348 P391 F393 A394A318-R346 PolarHBondContact O-NH1 3.13Å; H319-R346 PolarHBondContact CE1-NH1 2.84Å; H319-R346 PolarHBondContact ND1-NH1 2.93Å; V337-R346 CarbonylContact C-O 3.55Å; V337-R346 VanDerWaalsContact CA-O 3.24Å; V337-R346 WeakPolarHBondContact CA-O 3.5Å; S338-R346 PolarHBondContact N-O 2.83Å; S338-R346 PolarHBondContact O-N 3.46Å; D342-R346 IonicContact OD1-NH1 3.52Å; D342-R346 IonicContact OD2-CZ 2.69Å; D342-R346 VanDerWaalsContact OD2-CZ 3.24Å; D342-R346 IonicContact OD2-NH1 2.85Å; D342-R346 PolarHBondContact OD2-NH1 2.82Å; D342-R346 IonicContact OD2-NH2 3.24Å; D342-R346 PolarHBondContact OD2-NH2 2.9Å; I344-R346 HydrophobicContact CG2-CG 3.86Å; R346-W348 HydrophobicContact CB-CD2 4.47Å; R346-W348 HydrophobicContact CB-CH2 4.35Å; R346-W348 HydrophobicContact CB-CZ2 3.54Å; R346-W348 VanDerWaalsContact CD-CH2 3.43Å; R346-W348 HydrophobicContact CG-CZ2 4.01Å; R346-P391 HydrophobicContact CB-CB 4.09Å; R346-P391 HydrophobicContact CG-CB 4.28Å; R346-P391 HydrophobicContact CG-CG 4.43Å; R346-F393 CarbonylContact C-O 3.52Å; R346-F393 WeakPolarHBondContact CA-O 3.41Å; R346-A394 HydrophobicContact CG-CB 3.94Å
347L95.6Very high83.3Confident1 Ų138.4 Ų38.41%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-108.7134170.6-168.5161.2000109.2L335 L336 V337 P391 L392 F393 Y407 L429 Y432L335-L347 HydrophobicContact CD2-CD2 4.04Å; L336-L347 CarbonylContact O-C 3.55Å; L336-L347 WeakPolarHBondContact O-CA 3.18Å; V337-L347 HydrophobicContact CG1-CB 4.34Å; V337-L347 HydrophobicContact CG1-CG 4.3Å; L347-P391 CarbonylContact O-C 3.59Å; L347-P391 WeakPolarHBondContact O-CA 3.35Å; L347-P391 WeakPolarHBondContact O-CB 3.36Å; L347-L392 HydrophobicContact CD2-CB 3.91Å; L347-L392 HydrophobicContact CD2-CD1 3.63Å; L347-L392 HydrophobicContact CD2-CG 4.16Å; L347-L392 PolarHBondContact O-N 3.43Å; L347-F393 HydrophobicContact CB-CB 4.01Å; L347-F393 PolarHBondContact N-O 2.86Å; L347-Y407 VanDerWaalsContact CD1-OH 3.32Å; L347-Y407 WeakPolarHBondContact CD1-OH 3.24Å; L347-L429 HydrophobicContact CD1-CD1 3.94Å; L347-Y432 HydrophobicContact CD1-CD1 4.27Å; L347-Y432 HydrophobicContact CD1-CD2 4.15Å; L347-Y432 HydrophobicContact CD1-CG 3.8Å; L347-Y432 HydrophobicContact CD2-CD1 4.4Å
348W93.9Very high80.2Confident2 Ų249.5 Ų49.51%0.00821%0.206CC..EExtended strand (participates in β ladder)trans-124.6144.9-175.4-47.591.5000111.3M315 A318 L335 L336 S338 R346 P387 V389 P391M315-W348 HydrophobicContact CE-CB 4.43Å; M315-W348 HydrophobicContact CE-CD2 3.74Å; M315-W348 HydrophobicContact CE-CE3 4.34Å; M315-W348 HydrophobicContact CE-CG 3.76Å; M315-W348 HydrophobicContact CE-CZ2 4.34Å; M315-W348 HydrophobicContact SD-CB 4.18Å; M315-W348 HydrophobicContact SD-CD2 3.46Å; M315-W348 HydrophobicContact SD-CE3 3.47Å; M315-W348 HydrophobicContact SD-CG 3.79Å; M315-W348 HydrophobicContact SD-CH2 4.46Å; M315-W348 HydrophobicContact SD-CZ2 4.45Å; M315-W348 HydrophobicContact SD-CZ3 4Å; A318-W348 HydrophobicContact CB-CH2 4.13Å; A318-W348 HydrophobicContact CB-CZ2 3.72Å; A318-W348 WeakPolarHBondContact O-CZ2 3.31Å; L335-W348 WeakPolarHBondContact CA-O 3.32Å; L336-W348 PolarHBondContact N-O 3.26Å; L336-W348 VanDerWaalsContact O-CD1 3.31Å; L336-W348 PolarHBondContact O-N 2.63Å; S338-W348 PolarHBondContact OG-NE1 2.69Å; R346-W348 HydrophobicContact CB-CD2 4.47Å; R346-W348 HydrophobicContact CB-CH2 4.35Å; R346-W348 HydrophobicContact CB-CZ2 3.54Å; R346-W348 VanDerWaalsContact CD-CH2 3.43Å; R346-W348 HydrophobicContact CG-CZ2 4.01Å; W348-P387 HydrophobicContact CH2-CB 4.35Å; W348-P387 HydrophobicContact CZ3-CB 4.43Å; W348-V389 WeakPolarHBondContact CZ3-O 3.48Å; W348-P391 HydrophobicContact CD2-CB 4.28Å; W348-P391 HydrophobicContact CE3-CB 3.84Å; W348-P391 HydrophobicContact CH2-CB 4.15Å; W348-P391 HydrophobicContact CH2-CG 4.48Å; W348-P391 HydrophobicContact CZ3-CB 3.76Å; W348-P391 HydrophobicContact CZ3-CG 4.25Å
349D89.6Confident76.8Confident6 Ų652.8 Ų52.83%0.03223%0.228CC..EExtended strand (participates in β ladder)trans-107.7112.2165.4178.3-7.4000109.9N334 L335 R351 Y352 L392N334-D349 WeakPolarHBondContact O-CA 3.4Å; L335-D349 HydrophobicContact CD2-CB 3.95Å; D349-R351 PolarHBondContact O-N 3.41Å; D349-R351 WeakPolarHBondContact OD1-CB 3.36Å; D349-R351 VanDerWaalsContact OD1-CG 3.29Å; D349-R351 WeakPolarHBondContact OD1-CG 3.26Å; D349-R351 IonicContact OD1-CZ 3.96Å; D349-R351 PolarHBondContact OD1-N 2.8Å; D349-R351 IonicContact OD1-NE 3.04Å; D349-R351 PolarHBondContact OD1-NE 2.84Å; D349-R351 IonicContact OD2-CZ 3.29Å; D349-R351 VanDerWaalsContact OD2-CZ 3.29Å; D349-R351 IonicContact OD2-NE 3.06Å; D349-R351 PolarHBondContact OD2-NE 2.87Å; D349-R351 IonicContact OD2-NH2 2.93Å; D349-R351 PolarHBondContact OD2-NH2 3.13Å; D349-Y352 HydrophobicContact CB-CD2 3.77Å; D349-Y352 HydrophobicContact CB-CE2 3.95Å; D349-Y352 PolarHBondContact O-N 2.82Å; D349-Y352 WeakPolarHBondContact OD2-CE2 3.33Å; D349-L392 HydrophobicContact CB-CD1 3.59Å; D349-L392 HydrophobicContact CB-CD2 4.33Å; D349-L392 HydrophobicContact CB-CG 4.01Å
350L88.3Confident73.9Confident1 Ų158.7 Ų58.71%0.00526%0.259CS..THydrogen-bonded Turntrans-72.8-12-173.5-54.7171.7000112.7F313 Y328 N334 L336 Y352 L353 R354F313-L350 HydrophobicContact CE1-CB 4.25Å; F313-L350 HydrophobicContact CE1-CD1 3.78Å; F313-L350 HydrophobicContact CE1-CD2 3.96Å; F313-L350 HydrophobicContact CE1-CG 4.21Å; F313-L350 HydrophobicContact CE2-CD2 3.94Å; F313-L350 HydrophobicContact CZ-CD1 3.86Å; F313-L350 HydrophobicContact CZ-CD2 3.57Å; F313-L350 HydrophobicContact CZ-CG 4.23Å; Y328-L350 HydrophobicContact CD1-CD1 4.35Å; Y328-L350 HydrophobicContact CE1-CD1 3.55Å; N334-L350 HydrophobicContact CB-CB 4.16Å; N334-L350 WeakPolarHBondContact O-CB 3.3Å; N334-L350 VanDerWaalsContact O-CG 3.29Å; N334-L350 WeakPolarHBondContact O-CG 3.11Å; N334-L350 PolarHBondContact O-N 3.32Å; L336-L350 HydrophobicContact CB-CD1 4.13Å; L336-L350 HydrophobicContact CB-CD2 4.39Å; L336-L350 HydrophobicContact CB-CG 4.38Å; L336-L350 HydrophobicContact CD1-CD1 4.41Å; L350-Y352 VanDerWaalsContact C-N 3.3Å; L350-Y352 PolarHBondContact O-N 2.9Å; L350-L353 HydrophobicContact CB-CD1 4.47Å; L350-L353 HydrophobicContact CD2-CD1 3.59Å; L350-L353 WeakPolarHBondContact O-CB 3.11Å; L350-L353 PolarHBondContact O-N 3.28Å; L350-R354 PolarHBondContact O-N 2.95Å
351R82.1Confident71Confident140 Ų14062.9 Ų62.953%0.52829%0.288SS..Hα-helixtrans-64.8-36.2174.6-62.8176.3-67.6-177.30.9111.4N334 D349 L353 R354 T355N334-R351 HydrophobicContact CB-CG 3.71Å; D349-R351 PolarHBondContact O-N 3.41Å; D349-R351 WeakPolarHBondContact OD1-CB 3.36Å; D349-R351 VanDerWaalsContact OD1-CG 3.29Å; D349-R351 WeakPolarHBondContact OD1-CG 3.26Å; D349-R351 IonicContact OD1-CZ 3.96Å; D349-R351 PolarHBondContact OD1-N 2.8Å; D349-R351 IonicContact OD1-NE 3.04Å; D349-R351 PolarHBondContact OD1-NE 2.84Å; D349-R351 IonicContact OD2-CZ 3.29Å; D349-R351 VanDerWaalsContact OD2-CZ 3.29Å; D349-R351 IonicContact OD2-NE 3.06Å; D349-R351 PolarHBondContact OD2-NE 2.87Å; D349-R351 IonicContact OD2-NH2 2.93Å; D349-R351 PolarHBondContact OD2-NH2 3.13Å; R351-L353 PolarHBondContact O-N 2.87Å; R351-R354 PolarHBondContact O-N 3.15Å; R351-T355 PolarHBondContact O-N 2.68Å; R351-T355 PolarHBondContact O-OG1 3.38Å
352Y71.7Confident67.7Low139 Ų13967.5 Ų67.555%0.54532%0.317SS..Hα-helixtrans-66.3-25.5177.3-66.8-73.8000112.6D349 L350 L392D349-Y352 HydrophobicContact CB-CD2 3.77Å; D349-Y352 HydrophobicContact CB-CE2 3.95Å; D349-Y352 PolarHBondContact O-N 2.82Å; D349-Y352 WeakPolarHBondContact OD2-CE2 3.33Å; L350-Y352 VanDerWaalsContact C-N 3.3Å; L350-Y352 PolarHBondContact O-N 2.9Å; Y352-L392 HydrophobicContact CE2-CD2 4.38Å
353L69.5Low64.8Low6 Ų672.4 Ų72.43%0.03135%0.349CS..Hα-helixtrans-73.9-42.7173.9-64.1165.8000111.4F313 M315 L350 R351 T355 R356 Y357 V389F313-L353 HydrophobicContact CB-CB 4.11Å; F313-L353 HydrophobicContact CD2-CD1 3.76Å; F313-L353 HydrophobicContact CE2-CD1 4.14Å; F313-L353 HydrophobicContact CG-CD1 4.15Å; M315-L353 HydrophobicContact CB-CD1 3.84Å; M315-L353 HydrophobicContact CB-CD2 4.07Å; M315-L353 HydrophobicContact CG-CD1 4.21Å; M315-L353 HydrophobicContact CG-CD2 4.14Å; M315-L353 HydrophobicContact SD-CD1 4.06Å; L350-L353 HydrophobicContact CB-CD1 4.47Å; L350-L353 HydrophobicContact CD2-CD1 3.59Å; L350-L353 WeakPolarHBondContact O-CB 3.11Å; L350-L353 PolarHBondContact O-N 3.28Å; R351-L353 PolarHBondContact O-N 2.87Å; L353-T355 VanDerWaalsContact C-N 3.28Å; L353-T355 PolarHBondContact O-N 3.02Å; L353-R356 PolarHBondContact O-N 2.85Å; L353-Y357 VanDerWaalsContact O-CD2 3.23Å; L353-Y357 WeakPolarHBondContact O-CD2 3.3Å; L353-V389 HydrophobicContact CD2-CB 4.11Å; L353-V389 HydrophobicContact CD2-CG2 3.28Å; L353-V389 HydrophobicContact CG-CG2 4.03Å
354R58.2Low61.8Low90 Ų9076 Ų7634%0.3438%0.379SS..Hα-helixtrans-60.5-35.5179.5-70.9-176.5178.2176.62.8112.5Q292 L350 R351 Y357 R358Q292-R354 VanDerWaalsContact OE1-NH2 3.09Å; L350-R354 PolarHBondContact O-N 2.95Å; R351-R354 PolarHBondContact O-N 3.15Å; R354-Y357 PolarHBondContact O-N 2.86Å; R354-R358 PolarHBondContact O-N 2.87Å
355T49.4Very low58.9Low97 Ų9780.5 Ų80.560%0.59542%0.417SS*.Hα-helixtrans-68.2-34.1-180-53.50000113R351 L353 R358 C359R351-T355 PolarHBondContact O-N 2.68Å; R351-T355 PolarHBondContact O-OG1 3.38Å; L353-T355 VanDerWaalsContact C-N 3.28Å; L353-T355 PolarHBondContact O-N 3.02Å; T355-R358 PolarHBondContact O-N 2.82Å; T355-C359 PolarHBondContact O-N 3.03Å
356R45.4Very low56Low146 Ų14686.8 Ų86.855%0.55146%0.455SS*.Hα-helixtrans-68.3-34.1175.7-71.2-127.4-154.9-169.68.7112.8L353 C359 L360 T388L353-R356 PolarHBondContact O-N 2.85Å; R356-C359 PolarHBondContact O-N 2.86Å; R356-L360 VanDerWaalsContact O-CD1 3.26Å; R356-L360 WeakPolarHBondContact O-CD1 3.13Å; R356-L360 PolarHBondContact O-N 2.88Å; R356-T388 PolarHBondContact NH2-O 2.83Å
357Y42.5Very low52.9Low92 Ų9290.7 Ų90.736%0.36149%0.485SS..Hα-helixtrans-70.7-29.5177.9-75.8-72000113.9P254 F313 W314 L353 R354P254-Y357 HydrophobicContact CB-CE1 3.98Å; P254-Y357 HydrophobicContact CG-CE1 4.43Å; F313-Y357 HydrophobicContact CB-CD2 4.42Å; F313-Y357 HydrophobicContact CB-CE2 3.95Å; W314-Y357 WeakPolarHBondContact CA-OH 3.47Å; W314-Y357 VanDerWaalsContact CB-OH 3.29Å; W314-Y357 WeakPolarHBondContact CB-OH 3.49Å; W314-Y357 PolarHBondContact N-OH 3.08Å; W314-Y357 PolarHBondContact O-OH 2.9Å; W314-Y357 VanDerWaalsContact O-OH 3.07Å; L353-Y357 VanDerWaalsContact O-CD2 3.23Å; L353-Y357 WeakPolarHBondContact O-CD2 3.3Å; R354-Y357 PolarHBondContact O-N 2.86Å
358R31.6Very low50.1Low233 Ų23395 Ų9588%0.87952%0.52SS*.Hα-helixtrans-76.3-27.8172.8-74.6-170.4175.5-173.60113R354 T355R354-R358 PolarHBondContact O-N 2.87Å; T355-R358 PolarHBondContact O-N 2.82Å
359C27.5Very low46.9Very low69 Ų69104 Ų10447%0.46656%0.56SS.*THydrogen-bonded Turntrans-103.828.4-173.9-148.70000114T355 R356T355-C359 PolarHBondContact O-N 3.03Å; R356-C359 PolarHBondContact O-N 2.86Å
360L35.2Very low44.1Very low124 Ų124110.2 Ų110.265%0.64959%0.593SS**  trans-83.82.5164.2-109.480.4000112.9R356R356-L360 VanDerWaalsContact O-CD1 3.26Å; R356-L360 WeakPolarHBondContact O-CD1 3.13Å; R356-L360 PolarHBondContact O-N 2.88Å
361S35.5Very low41.4Very low89 Ų89115.7 Ų115.762%0.62263%0.627SS**SBendtrans-99.5109.7160165.60000108
362T27.9Very low38.9Very low112 Ų112113.1 Ų113.169%0.68764%0.635SS**SBendtrans90.1131.4172.474.10000117.9A364T362-A364 PolarHBondContact O-N 2.83Å; T362-A364 VanDerWaalsContact O-N 3.16Å
363T33.9Very low37.2Very low147 Ų147109.8 Ų109.890%0.90263%0.626SS**  trans-66.796.3-176.548.80000112.2
364A30.7Very low35.6Very low77 Ų77114.6 Ų114.664%0.63666%0.658SS**  trans-161.985.5163.100000111.6T362T362-A364 PolarHBondContact O-N 2.83Å; T362-A364 VanDerWaalsContact O-N 3.16Å
365A36.9Very low34.6Very low103 Ų103116.9 Ų116.985%0.85168%0.677SS**  trans-106.184.1161.800000108.2
366V34.4Very low34.1Very low132 Ų132113 Ų11380%0.866%0.655SS**  trans-93.5120.3174.5173.10000108.9
367S31.1Very low33.8Very low99 Ų99109 Ų10969%0.69265%0.648SS**  trans47.290.5150.4-161.80000117.9
368A36.5Very low33.9Very low90 Ų90111.9 Ų111.974%0.74467%0.665SS**  trans-87.1122.3151.400000108.3N370A368-N370 PolarHBondContact O-N 2.91Å
369K27.8Very low34.2Very low193 Ų193108.1 Ų108.184%0.83965%0.651SS**  trans-74114.5177.6-73.9178.5176.11770109.2T371K369-T371 PolarHBondContact O-N 2.87Å
370N29.9Very low35.2Very low136 Ų136107.2 Ų107.273%0.72764%0.641SS**  trans-65.1110.6176.3-71-16000111.5A368A368-N370 PolarHBondContact O-N 2.91Å
371T31.4Very low35.3Very low116 Ų116106.2 Ų106.271%0.71264%0.635SS**  trans-87.110215147.70000107.3K369 I373K369-T371 PolarHBondContact O-N 2.87Å; T371-I373 PolarHBondContact O-N 3.19Å
372A30.4Very low35.8Very low86 Ų86108.2 Ų108.271%0.71163%0.634SS**  trans-71.4122.5179.700000110.5
373I34.9Very low36.5Very low68 Ų68110.3 Ų110.335%0.34963%0.631SS.*  trans-82.3122.2171.9-52.6173.6000107.7T371 N375 A376T371-I373 PolarHBondContact O-N 3.19Å; I373-N375 VanDerWaalsContact C-N 3.35Å; I373-N375 PolarHBondContact O-N 3.45Å; I373-N375 VanDerWaalsContact O-N 3.12Å; I373-A376 HydrophobicContact CB-CB 4.44Å; I373-A376 HydrophobicContact CG2-CB 4.4Å
374P36.6Very low37Very low107 Ų107105.2 Ų105.270%0.69561%0.607SS**THydrogen-bonded Turntrans-67.5-15.7-160.3-22.833000117.9
375N37.7Very low37.8Very low139 Ų139104.7 Ų104.774%0.74360%0.596SS**THydrogen-bonded Turntrans-128.8-1.1-176.3-76.9-18.2000114.7I373I373-N375 VanDerWaalsContact C-N 3.35Å; I373-N375 PolarHBondContact O-N 3.45Å; I373-N375 VanDerWaalsContact O-N 3.12Å
376A38.3Very low38.5Very low16 Ų16106.1 Ų106.113%0.13259%0.585CS.*THydrogen-bonded Turntrans-85.1-36.5174.900000110.7I373 E378 R379 I380I373-A376 HydrophobicContact CB-CB 4.44Å; I373-A376 HydrophobicContact CG2-CB 4.4Å; A376-E378 VanDerWaalsContact C-N 3.34Å; A376-E378 PolarHBondContact O-N 3.42Å; A376-R379 PolarHBondContact O-N 2.87Å; A376-I380 VanDerWaalsContact C-CD1 3.44Å; A376-I380 HydrophobicContact CB-CD1 3.61Å; A376-I380 HydrophobicContact CB-CG1 4.44Å; A376-I380 WeakPolarHBondContact O-CB 3.4Å; A376-I380 VanDerWaalsContact O-CD1 3.25Å; A376-I380 WeakPolarHBondContact O-CD1 3.48Å; A376-I380 WeakPolarHBondContact O-CG1 3.23Å; A376-I380 PolarHBondContact O-N 3.18Å
377S38.9Very low39.5Very low60 Ų60101.4 Ų101.442%0.4256%0.557SS.*Hα-helixtrans-59.6-36.6-174.354.10000114.2R379 I380S377-R379 PolarHBondContact O-N 2.9Å; S377-I380 PolarHBondContact O-N 2.81Å
378E44.3Very low41.1Very low153 Ų15398.6 Ų98.672%0.71554%0.536SS*.Hα-helixtrans-68-35-177.2-69-170.7163.900113.1A376A376-E378 VanDerWaalsContact C-N 3.34Å; A376-E378 PolarHBondContact O-N 3.42Å
379R39.5Very low42.9Very low154 Ų15495 Ų9558%0.58151%0.505SS*.Hα-helixtrans-90-26175.5-76.2-167.7-174.6-156.12.5113.6A376 S377 M381A376-R379 PolarHBondContact O-N 2.87Å; S377-R379 PolarHBondContact O-N 2.9Å; R379-M381 PolarHBondContact O-N 3.48Å; R379-M381 VanDerWaalsContact O-N 3.16Å
380I46.7Very low45.5Very low50 Ų5090.8 Ų90.826%0.25649%0.488SS..Hα-helixtrans-57.3-29179.4-77.5165.5000112A376 S377A376-I380 VanDerWaalsContact C-CD1 3.44Å; A376-I380 HydrophobicContact CB-CD1 3.61Å; A376-I380 HydrophobicContact CB-CG1 4.44Å; A376-I380 WeakPolarHBondContact O-CB 3.4Å; A376-I380 VanDerWaalsContact O-CD1 3.25Å; A376-I380 WeakPolarHBondContact O-CD1 3.48Å; A376-I380 WeakPolarHBondContact O-CG1 3.23Å; A376-I380 PolarHBondContact O-N 3.18Å; S377-I380 PolarHBondContact O-N 2.81Å
381M39Very low48.4Very low104 Ų10484.8 Ų84.851%0.51246%0.457SS..THydrogen-bonded Turntrans-106.8-3.5-167.1-62.5-63.5-88.100115.7R379 Y383 E386R379-M381 PolarHBondContact O-N 3.48Å; R379-M381 VanDerWaalsContact O-N 3.16Å; M381-Y383 PolarHBondContact O-N 3.01Å; M381-E386 HydrophobicContact CE-CG 3.83Å; M381-E386 VanDerWaalsContact CE-OE1 3.25Å; M381-E386 WeakPolarHBondContact CE-OE1 3.49Å; M381-E386 HydrophobicContact SD-CG 3.71Å
382Q44.2Very low51.2Low131 Ų13181.9 Ų81.961%0.61244%0.437SS*.SBendtrans-74-21.4-172.5-102.9-177.6-5.500114.4
383Y44.3Very low54.2Low156 Ų15679.2 Ų79.261%0.61241%0.409SS*.SBendtrans-134.85.3-163.6-64.8-69.7000118W320 M381W320-Y383 HydrophobicContact CE3-CG 4.41Å; W320-Y383 HydrophobicContact CZ3-CD1 4.35Å; W320-Y383 HydrophobicContact CZ3-CG 4.19Å; M381-Y383 PolarHBondContact O-N 3.01Å
384G44.6Very low56.9Low40 Ų4076.5 Ų76.541%0.41240%0.397SS..SBendtrans168.1168178.500000113.3
385T46.2Very low59.7Low66 Ų6673 Ų7341%0.40537%0.372SS..  trans-45.3145.3-179.340.10000113.8N317N317-T385 PolarHBondContact ND2-OG1 2.88Å
386E50.9Low62.4Low132 Ų13269 Ų6962%0.61736%0.358SS*.  trans-56.4144.8179.3-75.4-174.6173.600111.6M381 T388M381-E386 HydrophobicContact CE-CG 3.83Å; M381-E386 VanDerWaalsContact CE-OE1 3.25Å; M381-E386 WeakPolarHBondContact CE-OE1 3.49Å; M381-E386 HydrophobicContact SD-CG 3.71Å; E386-T388 PolarHBondContact O-N 2.83Å
387P56.4Low64.8Low34 Ų3468.3 Ų68.322%0.22135%0.352CS..  trans-59136.4173.428.1-35.4000109.4N317 W348 V389N317-P387 WeakPolarHBondContact O-CB 3.37Å; W348-P387 HydrophobicContact CH2-CB 4.35Å; W348-P387 HydrophobicContact CZ3-CB 4.43Å; P387-V389 WeakPolarHBondContact CB-O 3.32Å; P387-V389 PolarHBondContact O-N 2.82Å
388T64.2Low67.5Low40 Ų4065.7 Ų65.725%0.24533%0.333CS..SBendtrans-60.1-22.5-178.749.40000113.4E316 R356 E386E316-T388 HydrophobicContact CB-CG2 3.77Å; E316-T388 PolarHBondContact N-OG1 2.97Å; E316-T388 PolarHBondContact O-N 3.29Å; E316-T388 PolarHBondContact O-OG1 3.3Å; R356-T388 PolarHBondContact NH2-O 2.83Å; E386-T388 PolarHBondContact O-N 2.83Å
389V74.2Confident70Confident15 Ų1562.3 Ų62.39%0.09133%0.326CS..SBendtrans-132.4139.5173.1172.80000108.1W348 L353 P387W348-V389 WeakPolarHBondContact CZ3-O 3.48Å; L353-V389 HydrophobicContact CD2-CB 4.11Å; L353-V389 HydrophobicContact CD2-CG2 3.28Å; L353-V389 HydrophobicContact CG-CG2 4.03Å; P387-V389 WeakPolarHBondContact CB-O 3.32Å; P387-V389 PolarHBondContact O-N 2.82Å
390Q82.6Confident72.6Confident104 Ų10459 Ų5949%0.48632%0.317SS..  trans-72.5130.6173.8-170.6176.1-6.900109.2
391P91.1Very high75Confident10 Ų1060.8 Ų60.87%0.06532%0.321CS..  trans-63.2147.7172.629.3-36.3000110R346 L347 W348 F393 A394R346-P391 HydrophobicContact CB-CB 4.09Å; R346-P391 HydrophobicContact CG-CB 4.28Å; R346-P391 HydrophobicContact CG-CG 4.43Å; L347-P391 CarbonylContact O-C 3.59Å; L347-P391 WeakPolarHBondContact O-CA 3.35Å; L347-P391 WeakPolarHBondContact O-CB 3.36Å; W348-P391 HydrophobicContact CD2-CB 4.28Å; W348-P391 HydrophobicContact CE3-CB 3.84Å; W348-P391 HydrophobicContact CH2-CB 4.15Å; W348-P391 HydrophobicContact CH2-CG 4.48Å; W348-P391 HydrophobicContact CZ3-CB 3.76Å; W348-P391 HydrophobicContact CZ3-CG 4.25Å; P391-F393 VanDerWaalsContact C-N 3.3Å; P391-A394 HydrophobicContact CG-CB 4.14Å
392L90.8Very high77.8Confident55 Ų5555.8 Ų55.829%0.28830%0.296SS..SBendtrans-67.3-37.4173-64-178.3000111L335 L347 D349 Y352 Y432L335-L392 HydrophobicContact CD2-CD1 3.97Å; L347-L392 HydrophobicContact CD2-CB 3.91Å; L347-L392 HydrophobicContact CD2-CD1 3.63Å; L347-L392 HydrophobicContact CD2-CG 4.16Å; L347-L392 PolarHBondContact O-N 3.43Å; D349-L392 HydrophobicContact CB-CD1 3.59Å; D349-L392 HydrophobicContact CB-CD2 4.33Å; D349-L392 HydrophobicContact CB-CG 4.01Å; Y352-L392 HydrophobicContact CE2-CD2 4.38Å; L392-Y432 HydrophobicContact CB-CE1 3.82Å; L392-Y432 HydrophobicContact CD1-CD1 4.2Å; L392-Y432 HydrophobicContact CD1-CE1 4.09Å; L392-Y432 PolarHBondContact O-OH 2.94Å
393F92.3Very high80.4Confident30 Ų3051.7 Ų51.713%0.13228%0.275CS..EExtended strand (participates in β ladder)trans-143.1142.9179.3-178.5-98000109.8R346 L347 P391 I395 L429 Y432 D476R346-F393 CarbonylContact C-O 3.52Å; R346-F393 WeakPolarHBondContact CA-O 3.41Å; L347-F393 HydrophobicContact CB-CB 4.01Å; L347-F393 PolarHBondContact N-O 2.86Å; P391-F393 VanDerWaalsContact C-N 3.3Å; F393-I395 HydrophobicContact CE1-CB 3.75Å; F393-I395 HydrophobicContact CE1-CG2 3.65Å; F393-I395 HydrophobicContact CZ-CB 3.98Å; F393-I395 HydrophobicContact CZ-CD1 4.31Å; F393-I395 HydrophobicContact CZ-CG2 4.31Å; F393-L429 HydrophobicContact CD1-CD2 3.74Å; F393-L429 HydrophobicContact CD2-CD2 4.43Å; F393-L429 HydrophobicContact CE1-CD2 3.61Å; F393-L429 HydrophobicContact CE2-CD2 4.33Å; F393-L429 HydrophobicContact CG-CD2 4.15Å; F393-L429 HydrophobicContact CZ-CD2 3.93Å; F393-Y432 HydrophobicContact CB-CE2 3.95Å; F393-Y432 HydrophobicContact CD2-CE2 4.33Å; F393-Y432 HydrophobicContact CG-CE2 4.34Å; F393-D476 HydrophobicContact CD2-CB 4.46Å; F393-D476 HydrophobicContact CE2-CB 4.05Å
394A93.2Very high83Confident11 Ų1144.4 Ų44.49%0.09125%0.247CC..EExtended strand (participates in β ladder)trans-146.5132.3176.500000109.8I344 M345 R346 P391I344-A394 HydrophobicContact CG2-CB 4.18Å; M345-A394 WeakPolarHBondContact O-CA 3.32Å; R346-A394 HydrophobicContact CG-CB 3.94Å; P391-A394 HydrophobicContact CG-CB 4.14Å
395I94.6Very high85.5Confident33 Ų3342.5 Ų42.517%0.16923%0.227CC..EExtended strand (participates in β ladder)trans-136.4128179.2-170.5165.2000111I344 M345 F393 S397 Y427 L478I344-I395 WeakPolarHBondContact CA-O 3.48Å; M345-I395 HydrophobicContact CB-CG2 4.13Å; M345-I395 HydrophobicContact CE-CG2 3.76Å; M345-I395 PolarHBondContact N-O 3.38Å; M345-I395 PolarHBondContact O-N 3.27Å; F393-I395 HydrophobicContact CE1-CB 3.75Å; F393-I395 HydrophobicContact CE1-CG2 3.65Å; F393-I395 HydrophobicContact CZ-CB 3.98Å; F393-I395 HydrophobicContact CZ-CD1 4.31Å; F393-I395 HydrophobicContact CZ-CG2 4.31Å; I395-S397 PolarHBondContact O-N 3.18Å; I395-Y427 HydrophobicContact CD1-CD1 4.35Å; I395-Y427 HydrophobicContact CD1-CE1 4.34Å; I395-Y427 HydrophobicContact CG2-CD1 3.98Å; I395-Y427 HydrophobicContact CG2-CE1 3.59Å; I395-L478 HydrophobicContact CD1-CB 3.88Å
396A93.8Very high88Confident54 Ų5441 Ų4145%0.44621%0.214SC..EExtended strand (participates in β ladder)trans-8887.2174.100000109.2I344I344-A396 HydrophobicContact CG1-CB 4.07Å
397S89.9Confident90.2Very high2 Ų235 Ų351%0.01419%0.186CC..  trans-99.6-29.5-174.349.90000113.4I395 Y427 R481I395-S397 PolarHBondContact O-N 3.18Å; S397-Y427 WeakPolarHBondContact CB-OH 3.32Å; S397-Y427 PolarHBondContact OG-OH 2.83Å; S397-R481 PolarHBondContact O-NE 3.37Å; S397-R481 PolarHBondContact O-NH2 2.97Å
398H95.6Very high92.1Very high5 Ų533.5 Ų33.52%0.02318%0.176CC..  trans-104146.6178.6-69.1-88.8000111.1G343 I402 S417 G419 D421 R423G343-H398 PolarHBondContact O-N 3.32Å; H398-I402 HydrophobicContact CB-CG1 4.03Å; H398-S417 PolarHBondContact CD2-OG 2.83Å; H398-S417 PolarHBondContact NE2-OG 3.46Å; H398-G419 PolarHBondContact CE1-N 2.84Å; H398-D421 VanDerWaalsContact CA-OD2 3.28Å; H398-D421 WeakPolarHBondContact CA-OD2 3.39Å; H398-D421 IonicContact CE1-OD1 3.82Å; H398-D421 IonicContact CG-OD1 2.73Å; H398-D421 IonicContact CG-OD2 3.61Å; H398-D421 IonicContact ND1-OD1 2.85Å; H398-D421 PolarHBondContact ND1-OD1 3.42Å; H398-D421 IonicContact ND1-OD2 3.76Å; H398-D421 PolarHBondContact ND1-OD2 3.2Å; H398-R423 PolarHBondContact CE1-O 3.49Å
399S95.2Very high93.3Very high82 Ų8234.2 Ų34.257%0.57318%0.182SC*.SBendtrans-90.6-4.8175.748.70000113.7D421 R423S399-D421 PolarHBondContact N-OD2 3.25Å; S399-D421 PolarHBondContact OG-OD2 2.79Å; S399-R423 PolarHBondContact OG-NH1 2.85Å
400H95.1Very high94Very high85 Ų8537.2 Ų37.239%0.39420%0.2SC..SBendtrans-142.4-165.4176.4-159.8-99.8000109.5G343 S420 D421G343-H400 WeakPolarHBondContact CA-O 3.25Å; H400-S420 WeakPolarHBondContact ND1-CB 3.48Å; H400-S420 PolarHBondContact ND1-OG 3.44Å; H400-D421 HydrophobicContact CB-CB 4.14Å
401W97.3Very high94.4Very high87 Ų8735.5 Ų35.533%0.3319%0.189SC..  trans-57.3136.9-177.4-49.6-15.3000112.7D341 W403 G419 S420D341-W401 VanDerWaalsContact CA-CD1 3.45Å; D341-W401 HydrophobicContact CB-CG 4.05Å; D341-W401 VanDerWaalsContact OD1-CG 3.27Å; W401-W403 AromaticContact CE3-CH2 3.38Å; W401-W403 HydrophobicContact CE3-CH2 3.38Å; W401-W403 AromaticContact CE3-CZ2 3.58Å; W401-W403 HydrophobicContact CE3-CZ2 3.58Å; W401-W403 HydrophobicContact CE3-CZ3 4.15Å; W401-W403 AromaticContact CZ3-CH2 3.67Å; W401-W403 HydrophobicContact CZ3-CH2 3.67Å; W401-W403 HydrophobicContact CZ3-CZ2 4.05Å; W401-G419 CarbonylContact O-C 3.6Å; W401-G419 WeakPolarHBondContact O-CA 3.43Å; W401-S420 WeakPolarHBondContact CB-OG 3.4Å; W401-S420 PolarHBondContact O-N 2.88Å; W401-S420 PolarHBondContact O-OG 3.35Å
402I98.2Very high94.4Very high0 Ų035.1 Ų35.10%019%0.187CC..EExtended strand (participates in β ladder)trans-84.7118.7168.2-59.9-176.4000107.6R324 G340 I344 M345 H398 S404 V405 S418R324-I402 WeakPolarHBondContact CB-O 3.34Å; R324-I402 VanDerWaalsContact CG-O 3.27Å; R324-I402 WeakPolarHBondContact CG-O 3.41Å; G340-I402 PolarHBondContact O-N 2.76Å; I344-I402 WeakPolarHBondContact O-CD1 3.36Å; M345-I402 HydrophobicContact CB-CD1 4.11Å; H398-I402 HydrophobicContact CB-CG1 4.03Å; I402-S404 WeakPolarHBondContact CG2-O 3.48Å; I402-V405 HydrophobicContact CG2-CG1 3.7Å; I402-S418 CarbonylContact C-O 3.58Å; I402-S418 WeakPolarHBondContact CA-O 3.32Å; I402-S418 WeakPolarHBondContact CG2-O 3.35Å
403W98Very high94.5Very high44 Ų4432.6 Ų32.617%0.16717%0.173CC..EExtended strand (participates in β ladder)trans-84.2-37.6178.8-73.6129.5000113R324 D325 W401 S418 S420 Y490R324-W403 HydrophobicContact CG-CE3 4.38Å; D325-W403 WeakPolarHBondContact CB-O 3.4Å; W401-W403 AromaticContact CE3-CH2 3.38Å; W401-W403 HydrophobicContact CE3-CH2 3.38Å; W401-W403 AromaticContact CE3-CZ2 3.58Å; W401-W403 HydrophobicContact CE3-CZ2 3.58Å; W401-W403 HydrophobicContact CE3-CZ3 4.15Å; W401-W403 AromaticContact CZ3-CH2 3.67Å; W401-W403 HydrophobicContact CZ3-CH2 3.67Å; W401-W403 HydrophobicContact CZ3-CZ2 4.05Å; W403-S418 PolarHBondContact N-O 2.91Å; W403-S420 VanDerWaalsContact CE2-OG 3.24Å; W403-S420 PolarHBondContact NE1-OG 2.86Å; W403-Y490 WeakPolarHBondContact CB-O 3.29Å; W403-Y490 AromaticContact CD2-CD1 3.87Å; W403-Y490 HydrophobicContact CD2-CD1 3.87Å; W403-Y490 HydrophobicContact CD2-CE1 4.01Å; W403-Y490 AromaticContact CE2-CD1 3.85Å; W403-Y490 AromaticContact CE2-CE1 3.56Å; W403-Y490 HydrophobicContact CE3-CD1 4.38Å; W403-Y490 HydrophobicContact CE3-CE1 4.45Å; W403-Y490 HydrophobicContact CG-CD1 4.01Å; W403-Y490 HydrophobicContact CH2-CE1 4.15Å; W403-Y490 HydrophobicContact CZ2-CD1 4.37Å; W403-Y490 AromaticContact CZ2-CE1 3.66Å; W403-Y490 HydrophobicContact CZ2-CE1 3.66Å; W403-Y490 AromaticContact NE1-CD1 3.93Å; W403-Y490 AromaticContact NE1-CE1 3.82Å
404S98.1Very high94.6Very high3 Ų331.2 Ų31.22%0.02117%0.167CC..EExtended strand (participates in β ladder)trans-141.8147.7-178.2-168.30000112.8D325 I402 S417 S418D325-S404 WeakPolarHBondContact OD2-CA 3.37Å; D325-S404 WeakPolarHBondContact OD2-CB 3.38Å; D325-S404 PolarHBondContact OD2-OG 3.47Å; I402-S404 WeakPolarHBondContact CG2-O 3.48Å; S404-S417 CarbonylContact O-C 3.54Å; S404-S417 WeakPolarHBondContact O-CA 3.29Å; S404-S417 WeakPolarHBondContact O-CB 3.11Å; S404-S418 PolarHBondContact N-O 2.8Å; S404-S418 PolarHBondContact O-N 3.3Å
405V98.2Very high94.8Very high0 Ų030.7 Ų30.70%016%0.163CC..EExtended strand (participates in β ladder)trans-136133170.4-65.90000110D325 V337 M345 I402 L416D325-V405 HydrophobicContact CB-CG2 4.12Å; D325-V405 PolarHBondContact OD2-N 3.32Å; V337-V405 HydrophobicContact CG2-CB 4.35Å; V337-V405 HydrophobicContact CG2-CG2 4.15Å; M345-V405 HydrophobicContact CG-CG1 4.26Å; I402-V405 HydrophobicContact CG2-CG1 3.7Å; V405-L416 CarbonylContact C-O 3.57Å; V405-L416 VanDerWaalsContact CA-O 3.29Å; V405-L416 WeakPolarHBondContact CA-O 3.21Å
406R97.9Very high94.9Very high34 Ų3429.1 Ų29.113%0.12816%0.155CC..EExtended strand (participates in β ladder)trans-140124.9-178.5-68.4-67.8176.5-94.2-11.8111.7D325 V415 L416 A492 E493 W494D325-R406 IonicContact OD1-CZ 3Å; D325-R406 IonicContact OD1-NH1 3.46Å; D325-R406 PolarHBondContact OD1-NH1 3.11Å; D325-R406 VanDerWaalsContact OD1-NH1 3.09Å; D325-R406 IonicContact OD1-NH2 3.74Å; D325-R406 IonicContact OD2-CZ 2.85Å; D325-R406 VanDerWaalsContact OD2-CZ 3.26Å; D325-R406 IonicContact OD2-NH1 2.65Å; D325-R406 PolarHBondContact OD2-NH1 3.4Å; D325-R406 IonicContact OD2-NH2 3.1Å; D325-R406 PolarHBondContact OD2-NH2 3.09Å; R406-V415 CarbonylContact O-C 3.58Å; R406-V415 WeakPolarHBondContact O-CA 3.47Å; R406-L416 PolarHBondContact N-O 3.36Å; R406-L416 PolarHBondContact O-N 3.28Å; R406-A492 WeakPolarHBondContact CG-O 3.46Å; R406-E493 WeakPolarHBondContact CD-OE2 3.33Å; R406-E493 IonicContact CZ-OE2 2.78Å; R406-E493 IonicContact NE-OE1 2.79Å; R406-E493 IonicContact NE-OE2 3.74Å; R406-E493 PolarHBondContact NE-OE2 3.05Å; R406-E493 IonicContact NH2-OE2 3.11Å; R406-W494 PolarHBondContact O-NE1 2.99Å
407Y97.7Very high95.2Very high7 Ų726.5 Ų26.53%0.02713%0.134CC..EExtended strand (participates in β ladder)trans-67.5148.6162.7-88.5-74.8000109.8D327 Y328 N329 V337 L347 D412 V415 W494D327-Y407 HydrophobicContact CB-CD2 4.41Å; D327-Y407 PolarHBondContact OD2-N 2.78Å; Y328-Y407 WeakPolarHBondContact O-CD2 3.47Å; N329-Y407 HydrophobicContact CB-CD2 4.24Å; N329-Y407 HydrophobicContact CB-CE1 4.33Å; N329-Y407 HydrophobicContact CB-CE2 3.84Å; V337-Y407 HydrophobicContact CB-CD2 4.46Å; V337-Y407 HydrophobicContact CB-CE2 3.86Å; V337-Y407 HydrophobicContact CG1-CD2 4.26Å; V337-Y407 HydrophobicContact CG1-CE1 4.34Å; V337-Y407 HydrophobicContact CG1-CE2 3.35Å; V337-Y407 VanDerWaalsContact CG1-OH 3.28Å; V337-Y407 WeakPolarHBondContact CG1-OH 3.37Å; V337-Y407 HydrophobicContact CG2-CD2 3.56Å; V337-Y407 HydrophobicContact CG2-CE2 3.44Å; V337-Y407 VanDerWaalsContact CG2-CE2 3.44Å; L347-Y407 VanDerWaalsContact CD1-OH 3.32Å; L347-Y407 WeakPolarHBondContact CD1-OH 3.24Å; Y407-D412 WeakPolarHBondContact CD1-O 3.44Å; Y407-D412 VanDerWaalsContact CE1-O 3.27Å; Y407-D412 WeakPolarHBondContact CE1-O 3.44Å; Y407-V415 HydrophobicContact CD1-CG2 3.54Å; Y407-V415 HydrophobicContact CE1-CG2 3.45Å; Y407-V415 VanDerWaalsContact CE1-CG2 3.45Å; Y407-V415 HydrophobicContact CG-CG2 4.3Å; Y407-W494 VanDerWaalsContact O-CD1 3.25Å
408H95.3Very high95.5Very high2 Ų226.4 Ų26.41%0.00913%0.133CC..  trans-68130.8169-175.8-69000110.6P330 T410 R411 L414 W494 A499P330-H408 WeakPolarHBondContact CG-O 3.45Å; H408-T410 VanDerWaalsContact C-N 3.33Å; H408-T410 PolarHBondContact CE1-OG1 3.42Å; H408-T410 PolarHBondContact ND1-N 2.9Å; H408-T410 PolarHBondContact ND1-OG1 3.02Å; H408-T410 PolarHBondContact O-N 3.36Å; H408-R411 HydrophobicContact CB-CB 4.32Å; H408-R411 WeakPolarHBondContact CB-O 3.2Å; H408-R411 WeakPolarHBondContact ND1-CB 3.12Å; H408-R411 PolarHBondContact ND1-N 2.84Å; H408-L414 HydrophobicContact CB-CB 3.77Å; H408-L414 WeakPolarHBondContact CB-O 3.28Å; H408-L414 PolarHBondContact N-O 3.08Å; H408-W494 HydrophobicContact CB-CD2 4.28Å; H408-W494 HydrophobicContact CB-CZ2 3.95Å; H408-W494 AromaticContact CD2-CD2 3.51Å; H408-W494 AromaticContact CD2-CE2 3.72Å; H408-W494 AromaticContact CD2-CE3 3.37Å; H408-W494 AromaticContact CD2-CH2 3.72Å; H408-W494 AromaticContact CD2-CZ2 3.81Å; H408-W494 AromaticContact CD2-CZ3 3.5Å; H408-W494 VanDerWaalsContact CD2-CZ3 3.5Å; H408-W494 WeakPolarHBondContact CD2-CZ3 3.29Å; H408-W494 AromaticContact NE2-CE3 3.92Å; H408-A499 WeakPolarHBondContact NE2-CA 3.06Å; H408-A499 PolarHBondContact NE2-O 2.8Å
409P91Very high95.6Very high56 Ų5626.2 Ų26.236%0.36413%0.132SC..THydrogen-bonded Turntrans-55.7-37.4-173.1-2834.3000116P330 H331 W494P330-P409 WeakPolarHBondContact CB-O 3.45Å; H331-P409 PolarHBondContact CE1-O 2.92Å; H331-P409 PolarHBondContact NE2-O 3.44Å; P409-W494 HydrophobicContact CG-CB 4.15Å
410T88Confident95.8Very high78 Ų7823.2 Ų23.248%0.47911%0.111SC..THydrogen-bonded Turntrans-116.7-3-176.362.90000115.5H331 H408H331-T410 VanDerWaalsContact NE2-CA 3.28Å; H331-T410 WeakPolarHBondContact NE2-CA 3.2Å; H331-T410 PolarHBondContact NE2-O 3.24Å; H408-T410 VanDerWaalsContact C-N 3.33Å; H408-T410 PolarHBondContact CE1-OG1 3.42Å; H408-T410 PolarHBondContact ND1-N 2.9Å; H408-T410 PolarHBondContact ND1-OG1 3.02Å; H408-T410 PolarHBondContact O-N 3.36Å
411R90.6Very high95.8Very high68 Ų6820.8 Ų20.826%0.25710%0.101SC..  trans-140.472.8-169.7-64.1-63.9-171.8-159.54.1108.8H408 Q413 L414H408-R411 HydrophobicContact CB-CB 4.32Å; H408-R411 WeakPolarHBondContact CB-O 3.2Å; H408-R411 WeakPolarHBondContact ND1-CB 3.12Å; H408-R411 PolarHBondContact ND1-N 2.84Å; R411-Q413 PolarHBondContact O-N 2.83Å; R411-L414 PolarHBondContact O-N 2.93Å
412D91.5Very high95.8Very high2 Ų216.9 Ų16.91%0.0119%0.088CC..THydrogen-bonded Turntrans-65.5-3.8-166.169.6-44.4000115.8N329 P330 H331 Y407 L414 S433 S434N329-D412 PolarHBondContact ND2-OD2 3Å; N329-D412 WeakPolarHBondContact OD1-CB 3.25Å; N329-D412 PolarHBondContact OD1-OD2 2.88Å; N329-D412 VanDerWaalsContact OD1-OD2 3.12Å; P330-D412 HydrophobicContact CG-CB 4.08Å; H331-D412 HydrophobicContact CB-CB 4.44Å; H331-D412 IonicContact CD2-OD1 2.68Å; Y407-D412 WeakPolarHBondContact CD1-O 3.44Å; Y407-D412 VanDerWaalsContact CE1-O 3.27Å; Y407-D412 WeakPolarHBondContact CE1-O 3.44Å; D412-L414 VanDerWaalsContact C-N 3.32Å; D412-S433 PolarHBondContact OD1-OG 3.29Å; D412-S434 VanDerWaalsContact CG-N 3.32Å; D412-S434 WeakPolarHBondContact OD1-CB 3.44Å; D412-S434 PolarHBondContact OD1-N 3.37Å; D412-S434 PolarHBondContact OD1-OG 2.82Å; D412-S434 PolarHBondContact OD2-N 3.26Å
413Q92.4Very high95.6Very high2 Ų219.5 Ų19.51%0.00910%0.098CC..THydrogen-bonded Turntrans-69.9-25.6164.371.1-171.7-35.100113.9R411 N428 L429 I524R411-Q413 PolarHBondContact O-N 2.83Å; Q413-N428 CarbonylContact O-C 3.52Å; Q413-N428 PolarHBondContact OE1-OD1 3.23Å; Q413-L429 PolarHBondContact O-N 2.94Å; Q413-I524 HydrophobicContact CG-CD1 4.47Å; Q413-I524 VanDerWaalsContact NE2-CG1 3.34Å
414L95.2Very high95.6Very high0 Ų017.4 Ų17.40%09%0.09CC..EExtended strand (participates in β ladder)trans-92.9132.7-178-65.7-178.6000110.7H408 R411 D412 L426 Y427 I479 W494 W500 I524H408-L414 HydrophobicContact CB-CB 3.77Å; H408-L414 WeakPolarHBondContact CB-O 3.28Å; H408-L414 PolarHBondContact N-O 3.08Å; R411-L414 PolarHBondContact O-N 2.93Å; D412-L414 VanDerWaalsContact C-N 3.32Å; L414-L426 HydrophobicContact CD2-CD1 4.42Å; L414-Y427 WeakPolarHBondContact CA-O 3.28Å; L414-I479 HydrophobicContact CD2-CD1 3.72Å; L414-W494 HydrophobicContact CB-CH2 4.25Å; L414-W494 HydrophobicContact CB-CZ2 3.97Å; L414-W494 HydrophobicContact CD1-CH2 4.13Å; L414-W500 HydrophobicContact CD1-CZ3 4.31Å; L414-I524 HydrophobicContact CD1-CD1 3.84Å; L414-I524 HydrophobicContact CD2-CD1 3.92Å; L414-I524 HydrophobicContact CG-CD1 4Å
415V97.5Very high95.5Very high0 Ų017.3 Ų17.30%09%0.089CC..EExtended strand (participates in β ladder)trans-130.8142.7175-174.30000108.9V337 M345 R406 Y407 Y427 L429V337-V415 HydrophobicContact CG2-CG1 4.47Å; M345-V415 HydrophobicContact CE-CG1 4.41Å; M345-V415 HydrophobicContact SD-CB 4.42Å; M345-V415 HydrophobicContact SD-CG1 3.61Å; R406-V415 CarbonylContact O-C 3.58Å; R406-V415 WeakPolarHBondContact O-CA 3.47Å; Y407-V415 HydrophobicContact CD1-CG2 3.54Å; Y407-V415 HydrophobicContact CE1-CG2 3.45Å; Y407-V415 VanDerWaalsContact CE1-CG2 3.45Å; Y407-V415 HydrophobicContact CG-CG2 4.3Å; V415-Y427 HydrophobicContact CB-CD2 4.05Å; V415-Y427 HydrophobicContact CG1-CD2 4.27Å; V415-Y427 PolarHBondContact N-O 2.78Å; V415-Y427 VanDerWaalsContact O-CD2 3.27Å; V415-Y427 WeakPolarHBondContact O-CD2 3.18Å; V415-Y427 PolarHBondContact O-N 3.32Å; V415-L429 HydrophobicContact CG2-CD1 3.8Å
416L97.6Very high95.4Very high0 Ų017.3 Ų17.30%09%0.089CC..EExtended strand (participates in β ladder)trans-111147.6169.6-73172.7000110.5V405 R406 V424 C425 L426 W494 F502V405-L416 CarbonylContact C-O 3.57Å; V405-L416 VanDerWaalsContact CA-O 3.29Å; V405-L416 WeakPolarHBondContact CA-O 3.21Å; R406-L416 PolarHBondContact N-O 3.36Å; R406-L416 PolarHBondContact O-N 3.28Å; L416-V424 HydrophobicContact CD2-CG1 4.38Å; L416-C425 CarbonylContact C-O 3.52Å; L416-C425 WeakPolarHBondContact CA-O 3.36Å; L416-L426 HydrophobicContact CD2-CB 4.03Å; L416-L426 HydrophobicContact CD2-CD1 3.61Å; L416-L426 HydrophobicContact CD2-CG 4.4Å; L416-L426 HydrophobicContact CG-CD1 4.27Å; L416-W494 HydrophobicContact CD1-CD2 3.5Å; L416-W494 VanDerWaalsContact CD1-CD2 3.5Å; L416-W494 HydrophobicContact CD1-CE3 4.03Å; L416-W494 HydrophobicContact CD1-CG 3.94Å; L416-W494 HydrophobicContact CD1-CH2 4.08Å; L416-W494 HydrophobicContact CD1-CZ2 3.58Å; L416-W494 HydrophobicContact CD1-CZ3 4.28Å; L416-W494 HydrophobicContact CD2-CH2 4.38Å; L416-W494 HydrophobicContact CD2-CZ2 4.09Å; L416-W494 HydrophobicContact CG-CD2 4.23Å; L416-W494 VanDerWaalsContact CG-CE2 3.43Å; L416-W494 HydrophobicContact CG-CH2 4.08Å; L416-W494 HydrophobicContact CG-CZ2 3.38Å; L416-F502 HydrophobicContact CD1-CB 3.43Å; L416-F502 VanDerWaalsContact CD1-CB 3.43Å; L416-F502 HydrophobicContact CD1-CD1 4.31Å; L416-F502 HydrophobicContact CD1-CD2 3.76Å; L416-F502 HydrophobicContact CD1-CG 3.58Å; L416-F502 HydrophobicContact CD2-CD2 3.95Å; L416-F502 HydrophobicContact CD2-CE2 3.97Å; L416-F502 HydrophobicContact CD2-CG 4.23Å; L416-F502 HydrophobicContact CD2-CZ 4.28Å
417S98.3Very high95.3Very high0 Ų015.7 Ų15.70%08%0.083CC..EExtended strand (participates in β ladder)trans-138.7152.6162.870.50000111.8H398 S404 V424 C425 Y427H398-S417 PolarHBondContact CD2-OG 2.83Å; H398-S417 PolarHBondContact NE2-OG 3.46Å; S404-S417 CarbonylContact O-C 3.54Å; S404-S417 WeakPolarHBondContact O-CA 3.29Å; S404-S417 WeakPolarHBondContact O-CB 3.11Å; S417-V424 CarbonylContact O-C 3.59Å; S417-V424 WeakPolarHBondContact O-CA 3.2Å; S417-C425 PolarHBondContact N-O 3.49Å; S417-C425 PolarHBondContact O-N 2.81Å; S417-Y427 VanDerWaalsContact OG-CE2 3.27Å; S417-Y427 WeakPolarHBondContact OG-CE2 3.21Å; S417-Y427 PolarHBondContact OG-OH 2.78Å
418S98Very high95.1Very high0 Ų016 Ų160%09%0.085CC..EExtended strand (participates in β ladder)trans-128.4150.5172.974.30000110.8I402 W403 S404 R423 V489I402-S418 CarbonylContact C-O 3.58Å; I402-S418 WeakPolarHBondContact CA-O 3.32Å; I402-S418 WeakPolarHBondContact CG2-O 3.35Å; W403-S418 PolarHBondContact N-O 2.91Å; S404-S418 PolarHBondContact N-O 2.8Å; S404-S418 PolarHBondContact O-N 3.3Å; S418-R423 WeakPolarHBondContact CA-O 3.36Å; S418-V489 WeakPolarHBondContact CB-O 3.41Å; S418-V489 PolarHBondContact OG-O 2.99Å
419G97.7Very high94.9Very high0 Ų015.9 Ų15.90%08%0.084CC..EExtended strand (participates in β ladder)trans-138.6168.3-173.900000114.9H398 W401 D421 R423 V489H398-G419 PolarHBondContact CE1-N 2.84Å; W401-G419 CarbonylContact O-C 3.6Å; W401-G419 WeakPolarHBondContact O-CA 3.43Å; G419-D421 PolarHBondContact O-N 3.25Å; G419-R423 PolarHBondContact N-O 2.95Å; G419-R423 VanDerWaalsContact N-O 3.11Å; G419-V489 PolarHBondContact O-N 2.71Å
420S97.5Very high94.9Very high19 Ų1914 Ų1413%0.1337%0.072CC..THydrogen-bonded Turntrans-69-13.6174.3-34.80000113.2H400 W401 W403 G422 S488H400-S420 WeakPolarHBondContact ND1-CB 3.48Å; H400-S420 PolarHBondContact ND1-OG 3.44Å; W401-S420 WeakPolarHBondContact CB-OG 3.4Å; W401-S420 PolarHBondContact O-N 2.88Å; W401-S420 PolarHBondContact O-OG 3.35Å; W403-S420 VanDerWaalsContact CE2-OG 3.24Å; W403-S420 PolarHBondContact NE1-OG 2.86Å; S420-G422 PolarHBondContact O-N 2.95Å; S420-S488 VanDerWaalsContact CA-OG 3.28Å; S420-S488 WeakPolarHBondContact CA-OG 3.31Å; S420-S488 WeakPolarHBondContact CB-OG 3.39Å; S420-S488 PolarHBondContact O-OG 2.59Å; S420-S488 VanDerWaalsContact O-OG 3.07Å
421D96.9Very high94.9Very high35 Ų3513.5 Ų13.519%0.1877%0.072CC..THydrogen-bonded Turntrans-8113.7179.563.2-18.4000113.6H398 S399 H400 G419 R423H398-D421 VanDerWaalsContact CA-OD2 3.28Å; H398-D421 WeakPolarHBondContact CA-OD2 3.39Å; H398-D421 IonicContact CE1-OD1 3.82Å; H398-D421 IonicContact CG-OD1 2.73Å; H398-D421 IonicContact CG-OD2 3.61Å; H398-D421 IonicContact ND1-OD1 2.85Å; H398-D421 PolarHBondContact ND1-OD1 3.42Å; H398-D421 IonicContact ND1-OD2 3.76Å; H398-D421 PolarHBondContact ND1-OD2 3.2Å; S399-D421 PolarHBondContact N-OD2 3.25Å; S399-D421 PolarHBondContact OG-OD2 2.79Å; H400-D421 HydrophobicContact CB-CB 4.14Å; G419-D421 PolarHBondContact O-N 3.25Å; D421-R423 VanDerWaalsContact C-N 3.26Å; D421-R423 PolarHBondContact O-N 3.18Å; D421-R423 WeakPolarHBondContact OD1-CB 3.37Å; D421-R423 VanDerWaalsContact OD2-CD 3.31Å; D421-R423 WeakPolarHBondContact OD2-CD 3.31Å; D421-R423 IonicContact OD2-CZ 2.91Å; D421-R423 IonicContact OD2-NE 3.6Å; D421-R423 IonicContact OD2-NH1 3.91Å; D421-R423 PolarHBondContact OD2-NH1 2.65Å; D421-R423 VanDerWaalsContact OD2-NH1 3.11Å
422G95.8Very high94.8Very high5 Ų512.6 Ų12.65%0.0527%0.069CC..SBendtrans779.5179.900000114.3S420 E487S420-G422 PolarHBondContact O-N 2.95Å; G422-E487 WeakPolarHBondContact CA-O 3.06Å
423R95.7Very high94.6Very high55 Ų5512.6 Ų12.621%0.2087%0.068CC..  trans-105.3147.3-171.1-59.6-172.8171.1130.4-6.2113.4H398 S399 S418 G419 D421 R481 L482 E483H398-R423 PolarHBondContact CE1-O 3.49Å; S399-R423 PolarHBondContact OG-NH1 2.85Å; S418-R423 WeakPolarHBondContact CA-O 3.36Å; G419-R423 PolarHBondContact N-O 2.95Å; G419-R423 VanDerWaalsContact N-O 3.11Å; D421-R423 VanDerWaalsContact C-N 3.26Å; D421-R423 PolarHBondContact O-N 3.18Å; D421-R423 WeakPolarHBondContact OD1-CB 3.37Å; D421-R423 VanDerWaalsContact OD2-CD 3.31Å; D421-R423 WeakPolarHBondContact OD2-CD 3.31Å; D421-R423 IonicContact OD2-CZ 2.91Å; D421-R423 IonicContact OD2-NE 3.6Å; D421-R423 IonicContact OD2-NH1 3.91Å; D421-R423 PolarHBondContact OD2-NH1 2.65Å; D421-R423 VanDerWaalsContact OD2-NH1 3.11Å; R423-R481 HydrophobicContact CG-CG 4.43Å; R423-L482 WeakPolarHBondContact CA-O 3.33Å; R423-E483 HydrophobicContact CG-CG 4.21Å; R423-E483 IonicContact CZ-OE1 2.9Å; R423-E483 IonicContact NE-OE1 3.87Å; R423-E483 PolarHBondContact NE-OE1 2.97Å; R423-E483 IonicContact NH2-OE1 3.73Å; R423-E483 PolarHBondContact NH2-OE1 3.05Å
424V96.9Very high94.3Very high0 Ų014 Ų140%08%0.079CC..EExtended strand (participates in β ladder)trans-117.8125161.1-178.20000108.2L416 S417 L482 V489 A492 F502L416-V424 HydrophobicContact CD2-CG1 4.38Å; S417-V424 CarbonylContact O-C 3.59Å; S417-V424 WeakPolarHBondContact O-CA 3.2Å; V424-L482 HydrophobicContact CB-CB 4.19Å; V424-L482 HydrophobicContact CB-CD1 4.36Å; V424-L482 HydrophobicContact CG1-CD1 4.42Å; V424-L482 PolarHBondContact N-O 2.99Å; V424-L482 WeakPolarHBondContact O-CB 3.25Å; V424-L482 PolarHBondContact O-N 2.86Å; V424-V489 HydrophobicContact CG2-CG1 3.92Å; V424-A492 HydrophobicContact CG1-CB 4.24Å; V424-F502 HydrophobicContact CG1-CE2 4.1Å
425C96.1Very high93.6Very high0 Ų016 Ų160%09%0.09CC..EExtended strand (participates in β ladder)trans-111.6135.7-179.6-66.20000110.2L416 S417 Y427 L478 A480L416-C425 CarbonylContact C-O 3.52Å; L416-C425 WeakPolarHBondContact CA-O 3.36Å; S417-C425 PolarHBondContact N-O 3.49Å; S417-C425 PolarHBondContact O-N 2.81Å; C425-Y427 HydrophobicContact CB-CE1 4.21Å; C425-Y427 HydrophobicContact CB-CE2 3.79Å; C425-Y427 VanDerWaalsContact CB-CZ 3.48Å; C425-Y427 WeakPolarHBondContact CB-OH 3.41Å; C425-L478 HydrophobicContact CB-CD1 3.66Å; C425-A480 WeakPolarHBondContact CA-O 3.43Å
426L96.2Very high92.6Very high0 Ų017.3 Ų17.30%010%0.1CC..EExtended strand (participates in β ladder)trans-111.7131.8173.5177.366.7000108.9F6 L414 L416 I479 A480 W494 V516F6-L426 HydrophobicContact CZ-CD2 4.17Å; L414-L426 HydrophobicContact CD2-CD1 4.42Å; L416-L426 HydrophobicContact CD2-CB 4.03Å; L416-L426 HydrophobicContact CD2-CD1 3.61Å; L416-L426 HydrophobicContact CD2-CG 4.4Å; L416-L426 HydrophobicContact CG-CD1 4.27Å; L426-I479 HydrophobicContact CD2-CB 4.41Å; L426-I479 HydrophobicContact CD2-CD1 4.15Å; L426-I479 HydrophobicContact CD2-CG2 4.17Å; L426-I479 HydrophobicContact CG-CB 4.25Å; L426-I479 HydrophobicContact CG-CD1 3.98Å; L426-I479 WeakPolarHBondContact O-CB 3.45Å; L426-I479 PolarHBondContact O-N 2.84Å; L426-A480 HydrophobicContact CB-CB 4.45Å; L426-A480 PolarHBondContact N-O 2.88Å; L426-A480 PolarHBondContact O-N 2.88Å; L426-W494 HydrophobicContact CD1-CH2 3.67Å; L426-W494 HydrophobicContact CD1-CZ2 3.84Å; L426-V516 HydrophobicContact CD2-CG1 4.4Å; L426-V516 HydrophobicContact CD2-CG2 4.31Å
427Y95Very high91Very high0 Ų021.6 Ų21.60%012%0.123CC..EExtended strand (participates in β ladder)trans-119151.3-177.6-47.7-91.3000111.5M345 I395 S397 L414 V415 S417 C425 G477 L478M345-Y427 HydrophobicContact CE-CD1 3.58Å; M345-Y427 HydrophobicContact CE-CD2 3.45Å; M345-Y427 VanDerWaalsContact CE-CD2 3.45Å; M345-Y427 HydrophobicContact CE-CE1 3.7Å; M345-Y427 HydrophobicContact CE-CE2 3.63Å; M345-Y427 HydrophobicContact CE-CG 3.44Å; M345-Y427 VanDerWaalsContact CE-CG 3.44Å; M345-Y427 HydrophobicContact SD-CD2 3.66Å; M345-Y427 HydrophobicContact SD-CE1 4.44Å; M345-Y427 HydrophobicContact SD-CE2 3.44Å; M345-Y427 WeakPolarHBondContact SD-CE2 3.12Å; M345-Y427 HydrophobicContact SD-CG 4.29Å; I395-Y427 HydrophobicContact CD1-CD1 4.35Å; I395-Y427 HydrophobicContact CD1-CE1 4.34Å; I395-Y427 HydrophobicContact CG2-CD1 3.98Å; I395-Y427 HydrophobicContact CG2-CE1 3.59Å; S397-Y427 WeakPolarHBondContact CB-OH 3.32Å; S397-Y427 PolarHBondContact OG-OH 2.83Å; L414-Y427 WeakPolarHBondContact CA-O 3.28Å; V415-Y427 HydrophobicContact CB-CD2 4.05Å; V415-Y427 HydrophobicContact CG1-CD2 4.27Å; V415-Y427 PolarHBondContact N-O 2.78Å; V415-Y427 VanDerWaalsContact O-CD2 3.27Å; V415-Y427 WeakPolarHBondContact O-CD2 3.18Å; V415-Y427 PolarHBondContact O-N 3.32Å; S417-Y427 VanDerWaalsContact OG-CE2 3.27Å; S417-Y427 WeakPolarHBondContact OG-CE2 3.21Å; S417-Y427 PolarHBondContact OG-OH 2.78Å; C425-Y427 HydrophobicContact CB-CE1 4.21Å; C425-Y427 HydrophobicContact CB-CE2 3.79Å; C425-Y427 VanDerWaalsContact CB-CZ 3.48Å; C425-Y427 WeakPolarHBondContact CB-OH 3.41Å; Y427-G477 CarbonylContact C-O 3.53Å; Y427-G477 VanDerWaalsContact CA-O 3.27Å; Y427-G477 WeakPolarHBondContact CA-O 3.45Å; Y427-G477 WeakPolarHBondContact CB-O 3.33Å; Y427-L478 HydrophobicContact CD1-CB 4.36Å; Y427-L478 HydrophobicContact CD1-CD1 3.83Å; Y427-L478 HydrophobicContact CE1-CD1 3.57Å
428N93.2Very high89.3Confident13 Ų1325.7 Ų25.77%0.0714%0.144CC..EExtended strand (participates in β ladder)trans-111.2130.9166.4-156.118.4000108.4Q413 P430 D476 G477 I479Q413-N428 CarbonylContact O-C 3.52Å; Q413-N428 PolarHBondContact OE1-OD1 3.23Å; N428-P430 VanDerWaalsContact C-CD 3.45Å; N428-D476 CarbonylContact O-C 3.55Å; N428-D476 VanDerWaalsContact O-CA 3.32Å; N428-D476 WeakPolarHBondContact O-CA 3.1Å; N428-G477 PolarHBondContact N-O 2.78Å; N428-G477 PolarHBondContact O-N 3.27Å; N428-I479 HydrophobicContact CB-CD1 3.64Å; N428-I479 HydrophobicContact CB-CG1 3.64Å
429L93Very high87.3Confident1 Ų128.8 Ų28.81%0.00517%0.166CC..  trans-134.156178.3-63.7177.9000110.9L347 F393 Q413 V415 S431 Y432 S433 D476L347-L429 HydrophobicContact CD1-CD1 3.94Å; F393-L429 HydrophobicContact CD1-CD2 3.74Å; F393-L429 HydrophobicContact CD2-CD2 4.43Å; F393-L429 HydrophobicContact CE1-CD2 3.61Å; F393-L429 HydrophobicContact CE2-CD2 4.33Å; F393-L429 HydrophobicContact CG-CD2 4.15Å; F393-L429 HydrophobicContact CZ-CD2 3.93Å; Q413-L429 PolarHBondContact O-N 2.94Å; V415-L429 HydrophobicContact CG2-CD1 3.8Å; L429-S431 VanDerWaalsContact C-N 3.26Å; L429-S431 PolarHBondContact O-N 2.97Å; L429-Y432 HydrophobicContact CB-CD2 4.15Å; L429-Y432 HydrophobicContact CD2-CD2 4.34Å; L429-Y432 PolarHBondContact O-N 3.37Å; L429-S433 PolarHBondContact O-N 2.82Å; L429-S433 VanDerWaalsContact O-N 3.12Å; L429-D476 VanDerWaalsContact CA-OD1 3.28Å; L429-D476 WeakPolarHBondContact CA-OD1 3.39Å; L429-D476 HydrophobicContact CD2-CB 4.05Å
430P89.4Confident85.3Confident17 Ų1731 Ų3111%0.1118%0.181CC..G310 helixtrans-58-34.9-175.924.8-35.5000112.8N428 Y432 S433 A436 N474 D476N428-P430 VanDerWaalsContact C-CD 3.45Å; P430-Y432 PolarHBondContact O-N 3.26Å; P430-S433 VanDerWaalsContact O-CB 3.28Å; P430-S433 WeakPolarHBondContact O-CB 3.33Å; P430-S433 PolarHBondContact O-N 2.66Å; P430-S433 VanDerWaalsContact O-N 3.16Å; P430-A436 VanDerWaalsContact O-CB 3.25Å; P430-A436 WeakPolarHBondContact O-CB 3.33Å; P430-N474 HydrophobicContact CG-CB 4.2Å; P430-N474 WeakPolarHBondContact CG-O 3.4Å; P430-D476 WeakPolarHBondContact CD-OD1 3.38Å; P430-D476 VanDerWaalsContact N-OD1 3.16Å
431S88.4Confident83.2Confident66 Ų6634.3 Ų34.346%0.46220%0.197SC..G310 helixtrans-64.3-24.3179.4-53.90000113.1L429 D476L429-S431 VanDerWaalsContact C-N 3.26Å; L429-S431 PolarHBondContact O-N 2.97Å; S431-D476 WeakPolarHBondContact CB-OD1 3.48Å; S431-D476 WeakPolarHBondContact CB-OD2 3.49Å; S431-D476 PolarHBondContact N-OD1 2.85Å; S431-D476 VanDerWaalsContact OG-CG 3.26Å; S431-D476 PolarHBondContact OG-OD1 2.79Å; S431-D476 PolarHBondContact OG-OD2 2.84Å
432Y88.5Confident81Confident50 Ų5038 Ų3820%0.19622%0.215CC..G310 helixtrans-105.8-0.2-179.2-52.3-78.6000112.9R332 L347 L392 F393 L429 P430R332-Y432 VanDerWaalsContact CD-O 3.27Å; R332-Y432 WeakPolarHBondContact CD-O 3.4Å; R332-Y432 PolarHBondContact NE-O 3.48Å; L347-Y432 HydrophobicContact CD1-CD1 4.27Å; L347-Y432 HydrophobicContact CD1-CD2 4.15Å; L347-Y432 HydrophobicContact CD1-CG 3.8Å; L347-Y432 HydrophobicContact CD2-CD1 4.4Å; L392-Y432 HydrophobicContact CB-CE1 3.82Å; L392-Y432 HydrophobicContact CD1-CD1 4.2Å; L392-Y432 HydrophobicContact CD1-CE1 4.09Å; L392-Y432 PolarHBondContact O-OH 2.94Å; F393-Y432 HydrophobicContact CB-CE2 3.95Å; F393-Y432 HydrophobicContact CD2-CE2 4.33Å; F393-Y432 HydrophobicContact CG-CE2 4.34Å; L429-Y432 HydrophobicContact CB-CD2 4.15Å; L429-Y432 HydrophobicContact CD2-CD2 4.34Å; L429-Y432 PolarHBondContact O-N 3.37Å; P430-Y432 PolarHBondContact O-N 3.26Å
433S88.6Confident78.7Confident1 Ų142.8 Ų42.81%0.00724%0.239CC..SBendtrans-74144177.3-173.70000112.1R332 D412 L429 P430 D435 A436R332-S433 PolarHBondContact NE-O 3.28Å; R332-S433 PolarHBondContact NH2-O 2.99Å; D412-S433 PolarHBondContact OD1-OG 3.29Å; L429-S433 PolarHBondContact O-N 2.82Å; L429-S433 VanDerWaalsContact O-N 3.12Å; P430-S433 VanDerWaalsContact O-CB 3.28Å; P430-S433 WeakPolarHBondContact O-CB 3.33Å; P430-S433 PolarHBondContact O-N 2.66Å; P430-S433 VanDerWaalsContact O-N 3.16Å; S433-D435 PolarHBondContact O-N 3.37Å; S433-A436 PolarHBondContact O-N 3.37Å
434S85.5Confident76.2Confident33 Ų3346 Ų4623%0.23126%0.257CS..THydrogen-bonded Turntrans-41.8-40.617154.60000113.8D412 A436 L437D412-S434 VanDerWaalsContact CG-N 3.32Å; D412-S434 WeakPolarHBondContact OD1-CB 3.44Å; D412-S434 PolarHBondContact OD1-N 3.37Å; D412-S434 PolarHBondContact OD1-OG 2.82Å; D412-S434 PolarHBondContact OD2-N 3.26Å; S434-A436 VanDerWaalsContact C-N 3.3Å; S434-A436 PolarHBondContact O-N 2.91Å; S434-L437 PolarHBondContact O-N 3.49Å; S434-L437 VanDerWaalsContact O-N 3.13Å
435D81.1Confident73.3Confident42 Ų4252.3 Ų52.323%0.22529%0.286CS..Hα-helixtrans-59.1-31.7178.1-64.4-34.8000114.6S433 L437 L438 S439S433-D435 PolarHBondContact O-N 3.37Å; D435-L437 PolarHBondContact O-N 3.31Å; D435-L438 WeakPolarHBondContact O-CB 3.27Å; D435-L438 PolarHBondContact O-N 2.96Å; D435-L438 VanDerWaalsContact O-N 3.12Å; D435-S439 PolarHBondContact O-N 3.49Å
436A74.8Confident70.6Confident26 Ų2658 Ų5822%0.21532%0.316CS..Hα-helixtrans-68.6-15.3179.100000114P430 S433 S434 S439P430-A436 VanDerWaalsContact O-CB 3.25Å; P430-A436 WeakPolarHBondContact O-CB 3.33Å; S433-A436 PolarHBondContact O-N 3.37Å; S434-A436 VanDerWaalsContact C-N 3.3Å; S434-A436 PolarHBondContact O-N 2.91Å; A436-S439 PolarHBondContact O-OG 2.88Å
437L64.9Low67.9Low91 Ų9163.2 Ų63.248%0.47635%0.348SS..Hα-helixtrans-73.1-42.1170.5-75.8171.9000110.4R332 S434 D435 S439 S440 D441R332-L437 VanDerWaalsContact NH2-N 3.13Å; S434-L437 PolarHBondContact O-N 3.49Å; S434-L437 VanDerWaalsContact O-N 3.13Å; D435-L437 PolarHBondContact O-N 3.31Å; L437-S439 VanDerWaalsContact C-N 3.33Å; L437-S439 PolarHBondContact O-N 3.24Å; L437-S440 PolarHBondContact O-N 3.48Å; L437-S440 VanDerWaalsContact O-N 3.1Å; L437-S440 PolarHBondContact O-OG 3.3Å; L437-D441 PolarHBondContact O-N 3.25Å
438L61.5Low64.9Low86 Ų8670.4 Ų70.445%0.4539%0.386SS..Hα-helixtrans-62.5-40.7-177.5-62.9172.6000111.5D435 S440 M442 Y531D435-L438 WeakPolarHBondContact O-CB 3.27Å; D435-L438 PolarHBondContact O-N 2.96Å; D435-L438 VanDerWaalsContact O-N 3.12Å; L438-S440 VanDerWaalsContact C-N 3.34Å; L438-S440 PolarHBondContact O-N 3.28Å; L438-M442 WeakPolarHBondContact O-CG 3.23Å; L438-M442 PolarHBondContact O-N 3.16Å; L438-Y531 HydrophobicContact CB-CE1 4.4Å; L438-Y531 HydrophobicContact CD1-CE1 4.22Å; L438-Y531 VanDerWaalsContact CD1-OH 3.29Å; L438-Y531 WeakPolarHBondContact CD1-OH 3.2Å
439S57.4Low62Low65 Ų6571.5 Ų71.546%0.45540%0.4SS..Hα-helixtrans-67.4-33.8175.463.60000112.9D435 A436 L437 N443D435-S439 PolarHBondContact O-N 3.49Å; A436-S439 PolarHBondContact O-OG 2.88Å; L437-S439 VanDerWaalsContact C-N 3.33Å; L437-S439 PolarHBondContact O-N 3.24Å; S439-N443 PolarHBondContact O-N 3.49Å; S439-N443 VanDerWaalsContact O-N 3.17Å
440S55Low59.1Low45 Ų4580.2 Ų80.232%0.31544%0.441SS..Hα-helixtrans-72.3-38.4179.277.30000113.3L437 L438 Q444L437-S440 PolarHBondContact O-N 3.48Å; L437-S440 VanDerWaalsContact O-N 3.1Å; L437-S440 PolarHBondContact O-OG 3.3Å; L438-S440 VanDerWaalsContact C-N 3.34Å; L438-S440 PolarHBondContact O-N 3.28Å; S440-Q444 WeakPolarHBondContact O-CG 3.27Å; S440-Q444 PolarHBondContact O-N 3.15Å; S440-Q444 VanDerWaalsContact O-N 3.13Å
441D53.2Low55.9Low90 Ų9084.4 Ų84.448%0.48147%0.471SS..Hα-helixtrans-69.1-36.9178.2-74-22.5000111.3L437 Q444 Q445L437-D441 PolarHBondContact O-N 3.25Å; D441-Q444 PolarHBondContact O-N 3.46Å; D441-Q445 WeakPolarHBondContact O-CG 3.44Å; D441-Q445 PolarHBondContact O-N 3Å
442M50.4Low52.9Low113 Ų11389.5 Ų89.556%0.55749%0.487SS*.Hα-helixtrans-70.6-40.6176.7-71-62.3179.400112.9L438 Q444 Q445 L446L438-M442 WeakPolarHBondContact O-CG 3.23Å; L438-M442 PolarHBondContact O-N 3.16Å; M442-Q444 VanDerWaalsContact C-N 3.25Å; M442-Q444 PolarHBondContact O-N 3.4Å; M442-Q445 PolarHBondContact O-N 3.18Å; M442-Q445 VanDerWaalsContact O-N 3.07Å; M442-L446 WeakPolarHBondContact O-CB 3.48Å; M442-L446 WeakPolarHBondContact O-CG 3.43Å; M442-L446 PolarHBondContact O-N 3.09Å
443N47.2Very low49.9Very low104 Ų10494 Ų9456%0.55651%0.513SS*.Hα-helixtrans-65.6-30.2174.4-81.3-21.6000112S439 T447S439-N443 PolarHBondContact O-N 3.49Å; S439-N443 VanDerWaalsContact O-N 3.17Å; N443-T447 WeakPolarHBondContact O-CB 3.35Å; N443-T447 WeakPolarHBondContact O-CG2 3.44Å; N443-T447 PolarHBondContact O-N 3.42Å; N443-T447 VanDerWaalsContact O-N 3.09Å; N443-T447 PolarHBondContact O-OG1 3.22Å
444Q43.5Very low46.6Very low124 Ų124102.8 Ų102.858%0.57955%0.554SS**Hα-helixtrans-72.7-30.4170.4-74.7-176.442.100113.1S440 D441 M442 T447 N448S440-Q444 WeakPolarHBondContact O-CG 3.27Å; S440-Q444 PolarHBondContact O-N 3.15Å; S440-Q444 VanDerWaalsContact O-N 3.13Å; D441-Q444 PolarHBondContact O-N 3.46Å; M442-Q444 VanDerWaalsContact C-N 3.25Å; M442-Q444 PolarHBondContact O-N 3.4Å; Q444-T447 WeakPolarHBondContact CA-OG1 3.12Å; Q444-T447 PolarHBondContact O-OG1 2.84Å; Q444-N448 PolarHBondContact O-N 3.16Å; Q444-N448 PolarHBondContact O-ND2 2.79Å
445Q35.7Very low43.7Very low132 Ų132110.1 Ų110.162%0.61758%0.582SS**Hα-helixtrans-74.6-37.6173.8-73.8-178.78.600112.8D441 M442D441-Q445 WeakPolarHBondContact O-CG 3.44Å; D441-Q445 PolarHBondContact O-N 3Å; M442-Q445 PolarHBondContact O-N 3.18Å; M442-Q445 VanDerWaalsContact O-N 3.07Å
446L40.5Very low40.8Very low119 Ų119116.7 Ų116.762%0.62361%0.611SS**Hα-helixtrans-71.6-32.1176.7-74.1157.2000112.5M442 G449M442-L446 WeakPolarHBondContact O-CB 3.48Å; M442-L446 WeakPolarHBondContact O-CG 3.43Å; M442-L446 PolarHBondContact O-N 3.09Å; L446-G449 CarbonylContact O-C 3.52Å; L446-G449 PolarHBondContact O-N 3.29Å
447T38.6Very low38.4Very low109 Ų109123.4 Ų123.467%0.66964%0.644SS**Hα-helixtrans-76.6-22.4177.249.90000113.7N443 Q444 G449N443-T447 WeakPolarHBondContact O-CB 3.35Å; N443-T447 WeakPolarHBondContact O-CG2 3.44Å; N443-T447 PolarHBondContact O-N 3.42Å; N443-T447 VanDerWaalsContact O-N 3.09Å; N443-T447 PolarHBondContact O-OG1 3.22Å; Q444-T447 WeakPolarHBondContact CA-OG1 3.12Å; Q444-T447 PolarHBondContact O-OG1 2.84Å; T447-G449 VanDerWaalsContact C-N 3.32Å
448N33.5Very low36.4Very low151 Ų151127.8 Ų127.881%0.80766%0.662SS**THydrogen-bonded Turntrans-88.94.5173.5-77.2-27000113.9Q444Q444-N448 PolarHBondContact O-N 3.16Å; Q444-N448 PolarHBondContact O-ND2 2.79Å
449G32.3Very low35.1Very low36 Ų36128.8 Ų128.837%0.37167%0.673SS.*SBendtrans-152.167.5-179.100000112.8L446 T447L446-G449 CarbonylContact O-C 3.52Å; L446-G449 PolarHBondContact O-N 3.29Å; T447-G449 VanDerWaalsContact C-N 3.32Å
450H30.2Very low33.7Very low185 Ų185133.5 Ų133.586%0.85669%0.693SS**  trans177.7107.5131.7-84.1-15.1000111.9
451S24Very low32.1Very low105 Ų105138.5 Ų138.573%0.73472%0.717SS**  trans-55.1145.1153.849.10000112.2
452Q25.2Very low31Very low173 Ų173142.7 Ų142.781%0.80873%0.733SS**  trans68.2116.1174.7-66.9174.9-30.600112.9
453I24.9Very low29.7Very low144 Ų144142.4 Ų142.474%0.73874%0.742SS**  -153.3128.984.5-77.6142.4000110.2F455I453-F455 HydrophobicContact CG2-CD2 3.44Å; I453-F455 VanDerWaalsContact CG2-CD2 3.44Å; I453-F455 HydrophobicContact CG2-CE2 3.48Å; I453-F455 VanDerWaalsContact CG2-CE2 3.48Å
454E20Very low28.4Very low185 Ų185143.1 Ų143.186%0.86476%0.755SS**  trans-73.5129.4165.5-65.1170.4152.400109.3
455F24.8Very low27.3Very low188 Ų188143.4 Ų143.483%0.82577%0.769SS**  trans-135.8113.3150.6-87-74000109.4I453I453-F455 HydrophobicContact CG2-CD2 3.44Å; I453-F455 VanDerWaalsContact CG2-CD2 3.44Å; I453-F455 HydrophobicContact CG2-CE2 3.48Å; I453-F455 VanDerWaalsContact CG2-CE2 3.48Å
456Q19.5Very low26.8Very low180 Ų180141.8 Ų141.884%0.84177%0.773SS**  trans-72.2136.9154.8-75170.7-14.500107.8
457D25.1Very low26.1Very low167 Ų167145.9 Ų145.989%0.89379%0.788SS**  trans-160.8140.5136-91.4-33.3000110.4
458E23Very low25.4Very low183 Ų183148.5 Ų148.586%0.85579%0.793SS**PPolyproline II helixtrans-73.4171.2-170.4-84.5-88.3140.100114.3
459P33.5Very low25.1Very low107 Ų107147.9 Ų147.970%0.69579%0.79SS**PPolyproline II helixtrans-94.8129.1-160.834.9-28.7000113.4
460D27.8Very low25.2Very low164 Ų164155.8 Ų155.888%0.87782%0.817SS**PPolyproline II helixtrans-101.7129.4169.8-88.3-31.3000112.5
461D22.3Very low25.5Very low150 Ų150151.5 Ų151.580%0.80280%0.804SS**  trans-85.6107.7-177.2-1522.3000109.4
462H30.1Very low26.3Very low178 Ų178149.8 Ų149.882%0.82480%0.803SS**  trans-144.2103.1163.3-83.3-52000112.3
463S21.9Very low27.3Very low107 Ų107151.7 Ų151.775%0.74880%0.802SS**  trans-55.5125.7152.456.10000111.7
464S21.1Very low29.2Very low119 Ų119148.2 Ų148.283%0.83279%0.785SS**  174.5151.3124.354.60000112.3
465C20.2Very low32.2Very low129 Ų129145.7 Ų145.787%0.87277%0.773SS**  trans-48.3133.3-175.7-51.90000117.5
466S23.5Very low35.2Very low99 Ų99138.8 Ų138.869%0.69275%0.745SS**  trans-163.1102.3132.954.20000109.7E468S466-E468 PolarHBondContact O-N 2.95Å
467H26Very low38.5Very low205 Ų205131 Ų13195%0.94971%0.713SS**  trans-7376.5161.4-82.5-69.8000108.1
468E23.7Very low41.7Very low164 Ų164125.5 Ų125.577%0.76668%0.683SS**  trans-119.4110.8164.5-69.5-169.1163.800107.2S466S466-E468 PolarHBondContact O-N 2.95Å
469D29Very low44.8Very low138 Ų138117.8 Ų117.874%0.73865%0.648SS**  trans60.375.4157.8-56.1-29.1000118.2V471D469-V471 HydrophobicContact CB-CG2 4.01Å; D469-V471 PolarHBondContact O-N 2.8Å
470E32.8Very low47.6Very low201 Ų201113 Ų11394%0.93962%0.617SS**  trans-6746.8152.8-105.9-174.4163.700111.7G472E470-G472 VanDerWaalsContact C-N 3.28Å; E470-G472 PolarHBondContact O-N 3.13Å; E470-G472 VanDerWaalsContact O-N 3.09Å
471V38.1Very low50.6Low96 Ų96109.8 Ų109.858%0.58259%0.593SS**THydrogen-bonded Turntrans-82.375.8170.6-178.10000107.2D469D469-V471 HydrophobicContact CB-CG2 4.01Å; D469-V471 PolarHBondContact O-N 2.8Å
472G41.1Very low54Low69 Ų69102.7 Ų102.771%0.71156%0.555SS**THydrogen-bonded Turntrans-164.9-3.4-171.600000120E470E470-G472 VanDerWaalsContact C-N 3.28Å; E470-G472 PolarHBondContact O-N 3.13Å; E470-G472 VanDerWaalsContact O-N 3.09Å
473R45.9Very low57Low212 Ų21299.6 Ų99.680%0.854%0.541SS*.  trans-115.9112.9169.4-87.2-176.7164.3159.6-1.7110.7E475R473-E475 HydrophobicContact CB-CG 3.82Å; R473-E475 PolarHBondContact O-N 3.24Å
474N64.9Low60.3Low71 Ų7196.8 Ų96.838%0.3852%0.516SS..  trans-71.683.8167.8-72.9-52.2000108.2P430 Q527P430-N474 HydrophobicContact CG-CB 4.2Å; P430-N474 WeakPolarHBondContact CG-O 3.4Å; N474-Q527 PolarHBondContact ND2-NE2 2.97Å
475E81.1Confident63.8Low132 Ų13291.8 Ų91.862%0.61748%0.479SS*.  trans-88.8149.2179.3-59-174.5165.900111R473 G477R473-E475 HydrophobicContact CB-CG 3.82Å; R473-E475 PolarHBondContact O-N 3.24Å; E475-G477 PolarHBondContact O-N 3.29Å
476D87.8Confident67.3Low43 Ų4394.4 Ų94.423%0.2348%0.479CS..SBendtrans-67.8122.7170.2-60.2-47.3000109.5F393 N428 L429 P430 S431F393-D476 HydrophobicContact CD2-CB 4.46Å; F393-D476 HydrophobicContact CE2-CB 4.05Å; N428-D476 CarbonylContact O-C 3.55Å; N428-D476 VanDerWaalsContact O-CA 3.32Å; N428-D476 WeakPolarHBondContact O-CA 3.1Å; L429-D476 VanDerWaalsContact CA-OD1 3.28Å; L429-D476 WeakPolarHBondContact CA-OD1 3.39Å; L429-D476 HydrophobicContact CD2-CB 4.05Å; P430-D476 WeakPolarHBondContact CD-OD1 3.38Å; P430-D476 VanDerWaalsContact N-OD1 3.16Å; S431-D476 WeakPolarHBondContact CB-OD1 3.48Å; S431-D476 WeakPolarHBondContact CB-OD2 3.49Å; S431-D476 PolarHBondContact N-OD1 2.85Å; S431-D476 VanDerWaalsContact OG-CG 3.26Å; S431-D476 PolarHBondContact OG-OD1 2.79Å; S431-D476 PolarHBondContact OG-OD2 2.84Å
477G90.2Very high70.8Confident17 Ų1794.1 Ų94.118%0.17547%0.467CS..EExtended strand (participates in β ladder)trans168-169.4-177.700000115.5Y427 N428 E475 I479Y427-G477 CarbonylContact C-O 3.53Å; Y427-G477 VanDerWaalsContact CA-O 3.27Å; Y427-G477 WeakPolarHBondContact CA-O 3.45Å; Y427-G477 WeakPolarHBondContact CB-O 3.33Å; N428-G477 PolarHBondContact N-O 2.78Å; N428-G477 PolarHBondContact O-N 3.27Å; E475-G477 PolarHBondContact O-N 3.29Å; G477-I479 PolarHBondContact O-N 2.9Å
478L90.9Very high74.1Confident51 Ų5185.6 Ų85.627%0.26743%0.43SS..EExtended strand (participates in β ladder)trans-79.1116176.9-176.472.7000109.7I395 C425 Y427 A480 R481I395-L478 HydrophobicContact CD1-CB 3.88Å; C425-L478 HydrophobicContact CB-CD1 3.66Å; Y427-L478 HydrophobicContact CD1-CB 4.36Å; Y427-L478 HydrophobicContact CD1-CD1 3.83Å; Y427-L478 HydrophobicContact CE1-CD1 3.57Å; L478-A480 WeakPolarHBondContact CD1-O 3.42Å; L478-R481 HydrophobicContact CD2-CB 4.27Å
479I90.1Very high77.7Confident21 Ų2177.8 Ų77.811%0.10839%0.393CS..EExtended strand (participates in β ladder)trans-70.8-53.1171.2-66.2173.8000109L414 L426 N428 G477 I520L414-I479 HydrophobicContact CD2-CD1 3.72Å; L426-I479 HydrophobicContact CD2-CB 4.41Å; L426-I479 HydrophobicContact CD2-CD1 4.15Å; L426-I479 HydrophobicContact CD2-CG2 4.17Å; L426-I479 HydrophobicContact CG-CB 4.25Å; L426-I479 HydrophobicContact CG-CD1 3.98Å; L426-I479 WeakPolarHBondContact O-CB 3.45Å; L426-I479 PolarHBondContact O-N 2.84Å; N428-I479 HydrophobicContact CB-CD1 3.64Å; N428-I479 HydrophobicContact CB-CG1 3.64Å; G477-I479 PolarHBondContact O-N 2.9Å; I479-I520 HydrophobicContact CD1-CG2 4.22Å; I479-I520 HydrophobicContact CG2-CD1 3.21Å; I479-I520 HydrophobicContact CG2-CG1 4.15Å
480A90.8Very high80.9Confident6 Ų673 Ų735%0.0537%0.365CS..EExtended strand (participates in β ladder)trans-152.3148.9-168.900000112.7F6 C425 L426 L478F6-A480 HydrophobicContact CD2-CB 4.16Å; F6-A480 HydrophobicContact CE1-CB 4.5Å; F6-A480 HydrophobicContact CE2-CB 3.11Å; F6-A480 HydrophobicContact CZ-CB 3.3Å; C425-A480 WeakPolarHBondContact CA-O 3.43Å; L426-A480 HydrophobicContact CB-CB 4.45Å; L426-A480 PolarHBondContact N-O 2.88Å; L426-A480 PolarHBondContact O-N 2.88Å; L478-A480 WeakPolarHBondContact CD1-O 3.42Å
481R91.7Very high83.9Confident97 Ų9763.8 Ų63.837%0.36632%0.324SS..EExtended strand (participates in β ladder)trans-123.8108.2173.3179.8-177.6-73.6121.6-1.8107.7L3 S397 R423 L478 E483L3-R481 WeakPolarHBondContact CD1-O 3.44Å; S397-R481 PolarHBondContact O-NE 3.37Å; S397-R481 PolarHBondContact O-NH2 2.97Å; R423-R481 HydrophobicContact CG-CG 4.43Å; L478-R481 HydrophobicContact CD2-CB 4.27Å; R481-E483 HydrophobicContact CG-CG 4.26Å
482L93.2Very high86.7Confident1 Ų159.3 Ų59.31%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-89.9114.6-179.7-52.4178.1000109.2L3 F6 R423 V424 Q484 F502 N514L3-L482 HydrophobicContact CD1-CD2 3.81Å; F6-L482 HydrophobicContact CD1-CD2 3.71Å; F6-L482 HydrophobicContact CD2-CD2 4.13Å; F6-L482 HydrophobicContact CE1-CD1 4.27Å; F6-L482 HydrophobicContact CE1-CD2 3.8Å; F6-L482 HydrophobicContact CE2-CD2 4.27Å; F6-L482 HydrophobicContact CG-CD2 3.87Å; F6-L482 HydrophobicContact CZ-CD2 4.09Å; R423-L482 WeakPolarHBondContact CA-O 3.33Å; V424-L482 HydrophobicContact CB-CB 4.19Å; V424-L482 HydrophobicContact CB-CD1 4.36Å; V424-L482 HydrophobicContact CG1-CD1 4.42Å; V424-L482 PolarHBondContact N-O 2.99Å; V424-L482 WeakPolarHBondContact O-CB 3.25Å; V424-L482 PolarHBondContact O-N 2.86Å; L482-Q484 HydrophobicContact CB-CG 4.44Å; L482-F502 HydrophobicContact CD1-CE2 3.74Å; L482-F502 HydrophobicContact CD1-CZ 3.76Å; L482-N514 HydrophobicContact CD1-CB 4.27Å
483E92.6Very high89.4Confident114 Ų11457.4 Ų57.453%0.53327%0.269SS..  trans-107.357.6177.1-56.8-169.2152.700109.1R423 R481R423-E483 HydrophobicContact CG-CG 4.21Å; R423-E483 IonicContact CZ-OE1 2.9Å; R423-E483 IonicContact NE-OE1 3.87Å; R423-E483 PolarHBondContact NE-OE1 2.97Å; R423-E483 IonicContact NH2-OE1 3.73Å; R423-E483 PolarHBondContact NH2-OE1 3.05Å; R481-E483 HydrophobicContact CG-CG 4.26Å
484Q91.6Very high91.9Very high47 Ų4747.5 Ų47.522%0.2223%0.232CC..  trans-98.7-14-175.7-64.2165.2-43.100113S9 L482 L512 N514S9-Q484 VanDerWaalsContact CB-NE2 3.27Å; S9-Q484 PolarHBondContact OG-NE2 3.15Å; S9-Q484 VanDerWaalsContact OG-NE2 3.14Å; L482-Q484 HydrophobicContact CB-CG 4.44Å; Q484-L512 HydrophobicContact CB-CD1 3.39Å; Q484-L512 HydrophobicContact CG-CD1 4.38Å; Q484-N514 PolarHBondContact NE2-OD1 2.64Å; Q484-N514 PolarHBondContact OE1-ND2 3.01Å; Q484-N514 PolarHBondContact OE1-OD1 2.9Å; Q484-N514 VanDerWaalsContact OE1-OD1 3.06Å
485H95Very high93.3Very high14 Ų1444.2 Ų44.27%0.06522%0.215CC..  trans-105.6140.6179.1-66.4-72.5000110.3V489 S504 S506 N510 L512H485-V489 HydrophobicContact CB-CG2 3.64Å; H485-V489 VanDerWaalsContact CD2-CG2 3.42Å; H485-V489 WeakPolarHBondContact CD2-CG2 3.01Å; H485-S504 PolarHBondContact NE2-OG 2.91Å; H485-S506 WeakPolarHBondContact ND1-CB 2.97Å; H485-S506 PolarHBondContact ND1-OG 3.08Å; H485-S506 VanDerWaalsContact ND1-OG 3.13Å; H485-N510 PolarHBondContact CE1-O 3.26Å; H485-L512 VanDerWaalsContact CE1-CD1 3.44Å; H485-L512 WeakPolarHBondContact CE1-CD1 3.47Å; H485-L512 VanDerWaalsContact CE1-CG 3.5Å; H485-L512 WeakPolarHBondContact CE1-CG 3.26Å
486E94Very high93.7Very high184 Ų18440 Ų4086%0.8620%0.198SC*.SBendtrans-88.1-20.1176.2-59.6-172.416500112
487E95.7Very high93.7Very high94 Ų9439.7 Ų39.744%0.43920%0.198SC..SBendtrans-120.2168.6-175.4-73.4-66.8166.400112.3G422 V489 D508G422-E487 WeakPolarHBondContact CA-O 3.06Å; E487-V489 PolarHBondContact O-N 3.48Å; E487-D508 HydrophobicContact CB-CB 4.48Å; E487-D508 HydrophobicContact CG-CB 4.17Å
488S97Very high93.6Very high25 Ų2541.2 Ų41.218%0.17520%0.202CC..  trans-52.4126.8179.8-76.90000113.4S420 Y490 S506 Y507S420-S488 VanDerWaalsContact CA-OG 3.28Å; S420-S488 WeakPolarHBondContact CA-OG 3.31Å; S420-S488 WeakPolarHBondContact CB-OG 3.39Å; S420-S488 PolarHBondContact O-OG 2.59Å; S420-S488 VanDerWaalsContact O-OG 3.07Å; S488-Y490 PolarHBondContact O-N 3.38Å; S488-S506 CarbonylContact O-C 3.59Å; S488-S506 VanDerWaalsContact O-CA 3.28Å; S488-S506 WeakPolarHBondContact O-CA 3.32Å; S488-Y507 PolarHBondContact O-N 3.37Å
489V97.7Very high93.5Very high0 Ų040 Ų400%020%0.2CC..EExtended strand (participates in β ladder)trans-94.997.5180-170.10000110.2S418 G419 V424 H485 E487 I505S418-V489 WeakPolarHBondContact CB-O 3.41Å; S418-V489 PolarHBondContact OG-O 2.99Å; G419-V489 PolarHBondContact O-N 2.71Å; V424-V489 HydrophobicContact CG2-CG1 3.92Å; H485-V489 HydrophobicContact CB-CG2 3.64Å; H485-V489 VanDerWaalsContact CD2-CG2 3.42Å; H485-V489 WeakPolarHBondContact CD2-CG2 3.01Å; E487-V489 PolarHBondContact O-N 3.48Å; V489-I505 CarbonylContact C-O 3.6Å; V489-I505 WeakPolarHBondContact CA-O 3.42Å; V489-I505 WeakPolarHBondContact CG1-O 3.38Å
490Y96.5Very high93.6Very high37 Ų3740.1 Ų40.115%0.14520%0.199CC..EExtended strand (participates in β ladder)trans-73.4-29-172.3-79.8-75.2000114.1R19 W403 S488 I505 Y507R19-Y490 HydrophobicContact CB-CG 4.37Å; R19-Y490 HydrophobicContact CG-CD1 4.31Å; R19-Y490 HydrophobicContact CG-CD2 4.09Å; R19-Y490 HydrophobicContact CG-CE1 4.47Å; R19-Y490 HydrophobicContact CG-CE2 4.27Å; R19-Y490 HydrophobicContact CG-CG 4.12Å; W403-Y490 WeakPolarHBondContact CB-O 3.29Å; W403-Y490 AromaticContact CD2-CD1 3.87Å; W403-Y490 HydrophobicContact CD2-CD1 3.87Å; W403-Y490 HydrophobicContact CD2-CE1 4.01Å; W403-Y490 AromaticContact CE2-CD1 3.85Å; W403-Y490 AromaticContact CE2-CE1 3.56Å; W403-Y490 HydrophobicContact CE3-CD1 4.38Å; W403-Y490 HydrophobicContact CE3-CE1 4.45Å; W403-Y490 HydrophobicContact CG-CD1 4.01Å; W403-Y490 HydrophobicContact CH2-CE1 4.15Å; W403-Y490 HydrophobicContact CZ2-CD1 4.37Å; W403-Y490 AromaticContact CZ2-CE1 3.66Å; W403-Y490 HydrophobicContact CZ2-CE1 3.66Å; W403-Y490 AromaticContact NE1-CD1 3.93Å; W403-Y490 AromaticContact NE1-CE1 3.82Å; S488-Y490 PolarHBondContact O-N 3.38Å; Y490-I505 PolarHBondContact N-O 2.93Å; Y490-I505 VanDerWaalsContact N-O 3.13Å; Y490-Y507 HydrophobicContact CD2-CD2 4.43Å; Y490-Y507 AromaticContact CE2-CD2 3.6Å; Y490-Y507 HydrophobicContact CE2-CD2 3.6Å; Y490-Y507 HydrophobicContact CE2-CG 4.01Å
491A96.8Very high93.7Very high9 Ų940 Ų407%0.07420%0.197CC..EExtended strand (participates in β ladder)trans-147.6141.2-179.100000111.1L21 S504 I505L21-A491 HydrophobicContact CB-CB 3.75Å; A491-S504 WeakPolarHBondContact O-CA 3.32Å; A491-I505 HydrophobicContact CB-CG2 4.03Å; A491-I505 PolarHBondContact O-N 3.28Å
492A97.1Very high94Very high1 Ų135.4 Ų35.41%0.00818%0.18CC..EExtended strand (participates in β ladder)trans-132.3128.5165.900000108R406 V424 A503R406-A492 WeakPolarHBondContact CG-O 3.46Å; V424-A492 HydrophobicContact CG1-CB 4.24Å; A492-A503 CarbonylContact C-O 3.55Å; A492-A503 WeakPolarHBondContact CA-O 3.45Å
493E97.3Very high94.2Very high29 Ų2935.3 Ų35.314%0.13618%0.179CC..EExtended strand (participates in β ladder)trans-135.7138.7-172.4-164.477.4-16900109.6L21 R406 F502 A503L21-E493 HydrophobicContact CD2-CB 4.28Å; L21-E493 HydrophobicContact CG-CB 4.16Å; R406-E493 WeakPolarHBondContact CD-OE2 3.33Å; R406-E493 IonicContact CZ-OE2 2.78Å; R406-E493 IonicContact NE-OE1 2.79Å; R406-E493 IonicContact NE-OE2 3.74Å; R406-E493 PolarHBondContact NE-OE2 3.05Å; R406-E493 IonicContact NH2-OE2 3.11Å; E493-F502 WeakPolarHBondContact O-CA 3.38Å; E493-A503 PolarHBondContact N-O 2.93Å; E493-A503 PolarHBondContact O-N 3.46Å
494W97.2Very high94.4Very high5 Ų529.9 Ų29.92%0.01915%0.154CC..EExtended strand (participates in β ladder)trans-70.9150.6172.4-67.9102.3000111R406 Y407 H408 P409 L414 L416 L426 P496 F502 V516R406-W494 PolarHBondContact O-NE1 2.99Å; Y407-W494 VanDerWaalsContact O-CD1 3.25Å; H408-W494 HydrophobicContact CB-CD2 4.28Å; H408-W494 HydrophobicContact CB-CZ2 3.95Å; H408-W494 AromaticContact CD2-CD2 3.51Å; H408-W494 AromaticContact CD2-CE2 3.72Å; H408-W494 AromaticContact CD2-CE3 3.37Å; H408-W494 AromaticContact CD2-CH2 3.72Å; H408-W494 AromaticContact CD2-CZ2 3.81Å; H408-W494 AromaticContact CD2-CZ3 3.5Å; H408-W494 VanDerWaalsContact CD2-CZ3 3.5Å; H408-W494 WeakPolarHBondContact CD2-CZ3 3.29Å; H408-W494 AromaticContact NE2-CE3 3.92Å; P409-W494 HydrophobicContact CG-CB 4.15Å; L414-W494 HydrophobicContact CB-CH2 4.25Å; L414-W494 HydrophobicContact CB-CZ2 3.97Å; L414-W494 HydrophobicContact CD1-CH2 4.13Å; L416-W494 HydrophobicContact CD1-CD2 3.5Å; L416-W494 VanDerWaalsContact CD1-CD2 3.5Å; L416-W494 HydrophobicContact CD1-CE3 4.03Å; L416-W494 HydrophobicContact CD1-CG 3.94Å; L416-W494 HydrophobicContact CD1-CH2 4.08Å; L416-W494 HydrophobicContact CD1-CZ2 3.58Å; L416-W494 HydrophobicContact CD1-CZ3 4.28Å; L416-W494 HydrophobicContact CD2-CH2 4.38Å; L416-W494 HydrophobicContact CD2-CZ2 4.09Å; L416-W494 HydrophobicContact CG-CD2 4.23Å; L416-W494 VanDerWaalsContact CG-CE2 3.43Å; L416-W494 HydrophobicContact CG-CH2 4.08Å; L416-W494 HydrophobicContact CG-CZ2 3.38Å; L426-W494 HydrophobicContact CD1-CH2 3.67Å; L426-W494 HydrophobicContact CD1-CZ2 3.84Å; W494-P496 WeakPolarHBondContact O-CD 3.21Å; W494-F502 HydrophobicContact CD2-CB 4.21Å; W494-F502 HydrophobicContact CE3-CB 3.76Å; W494-F502 HydrophobicContact CE3-CD1 4.18Å; W494-F502 HydrophobicContact CE3-CG 4.36Å; W494-F502 HydrophobicContact CH2-CD1 4.25Å; W494-F502 HydrophobicContact CZ3-CB 4.16Å; W494-F502 AromaticContact CZ3-CD1 3.69Å; W494-F502 HydrophobicContact CZ3-CD1 3.69Å; W494-F502 HydrophobicContact CZ3-CG 4.27Å; W494-V516 HydrophobicContact CH2-CG2 3.96Å; W494-V516 HydrophobicContact CZ3-CG2 3.8Å
495S94.5Very high94.7Very high2 Ų227.7 Ų27.71%0.01414%0.143CC..  trans-68.4127.1163.4175.60000109V497 D498 Y501S495-V497 PolarHBondContact O-N 2.83Å; S495-V497 PolarHBondContact OG-N 2.75Å; S495-D498 VanDerWaalsContact CB-O 3.3Å; S495-D498 WeakPolarHBondContact CB-O 3.44Å; S495-D498 PolarHBondContact OG-N 2.88Å; S495-D498 VanDerWaalsContact OG-N 3.09Å; S495-Y501 WeakPolarHBondContact CB-O 3.49Å; S495-Y501 PolarHBondContact N-O 3.31Å
496P89.8Confident94.7Very high42 Ų4227 Ų2727%0.27314%0.14SC..SBendtrans-72.6-18.8173.2-17.631.8000113.1L24 Y25 W494L24-P496 WeakPolarHBondContact O-CD 3.38Å; Y25-P496 HydrophobicContact CD1-CB 3.48Å; Y25-P496 VanDerWaalsContact CD1-CB 3.48Å; Y25-P496 HydrophobicContact CD1-CG 4.16Å; Y25-P496 HydrophobicContact CE1-CB 3.76Å; Y25-P496 HydrophobicContact CE1-CG 4.27Å; Y25-P496 HydrophobicContact CG-CB 4.1Å; Y25-P496 HydrophobicContact CG-CG 4.45Å; W494-P496 WeakPolarHBondContact O-CD 3.21Å
497V88.1Confident94.8Very high38 Ų3822.4 Ų22.423%0.2312%0.116CC..SBendtrans-91.9-46.3-175.3176.90000111.2D60 S495D60-V497 VanDerWaalsContact CA-CG1 3.43Å; D60-V497 HydrophobicContact CB-CG1 3.67Å; S495-V497 PolarHBondContact O-N 2.83Å; S495-V497 PolarHBondContact OG-N 2.75Å
498D88.8Confident94.7Very high48 Ų4821.1 Ų21.126%0.25711%0.112SC..  trans-114.3125.9179.2-170.3-50.9000110.7V62 S495 W500 Y501V62-D498 HydrophobicContact CG2-CB 3.56Å; S495-D498 VanDerWaalsContact CB-O 3.3Å; S495-D498 WeakPolarHBondContact CB-O 3.44Å; S495-D498 PolarHBondContact OG-N 2.88Å; S495-D498 VanDerWaalsContact OG-N 3.09Å; D498-W500 PolarHBondContact O-N 2.88Å; D498-W500 VanDerWaalsContact O-N 3.15Å; D498-W500 PolarHBondContact OD1-N 3.03Å; D498-Y501 HydrophobicContact CB-CD2 3.91Å
499A87.9Confident94.6Very high26 Ų2620 Ų2022%0.21511%0.105CC..THydrogen-bonded Turntrans-70.9-2.5-17700000115.3H408H408-A499 WeakPolarHBondContact NE2-CA 3.06Å; H408-A499 PolarHBondContact NE2-O 2.8Å
500W91.9Very high94.5Very high23 Ų2322.3 Ų22.39%0.08712%0.117CC..THydrogen-bonded Turntrans-119.3-8.1-174.1-53.9106.9000113.6L414 D498 R515 V516 K521 I524 L525L414-W500 HydrophobicContact CD1-CZ3 4.31Å; D498-W500 PolarHBondContact O-N 2.88Å; D498-W500 VanDerWaalsContact O-N 3.15Å; D498-W500 PolarHBondContact OD1-N 3.03Å; W500-R515 HydrophobicContact CB-CG 4.42Å; W500-R515 CarbonylContact O-C 3.49Å; W500-R515 VanDerWaalsContact O-CA 3.28Å; W500-R515 WeakPolarHBondContact O-CA 3.29Å; W500-V516 HydrophobicContact CE3-CB 3.85Å; W500-V516 HydrophobicContact CE3-CG1 4.02Å; W500-V516 HydrophobicContact CE3-CG2 4.18Å; W500-V516 HydrophobicContact CZ3-CG1 4.24Å; W500-V516 PolarHBondContact O-N 3.5Å; W500-K521 HydrophobicContact CD2-CB 4.26Å; W500-K521 HydrophobicContact CD2-CD 3.83Å; W500-K521 HydrophobicContact CD2-CG 3.94Å; W500-K521 HydrophobicContact CE3-CB 4.08Å; W500-K521 HydrophobicContact CE3-CD 4.47Å; W500-K521 HydrophobicContact CE3-CG 4.24Å; W500-K521 HydrophobicContact CG-CD 3.95Å; W500-K521 HydrophobicContact CH2-CB 4.11Å; W500-K521 HydrophobicContact CH2-CG 3.98Å; W500-K521 HydrophobicContact CZ2-CB 4.32Å; W500-K521 HydrophobicContact CZ2-CD 4.31Å; W500-K521 HydrophobicContact CZ2-CG 3.7Å; W500-K521 HydrophobicContact CZ3-CB 3.99Å; W500-K521 HydrophobicContact CZ3-CG 4.25Å; W500-I524 HydrophobicContact CH2-CB 4.21Å; W500-I524 HydrophobicContact CH2-CD1 4.38Å; W500-I524 HydrophobicContact CH2-CG2 4.01Å; W500-I524 HydrophobicContact CZ3-CD1 4.21Å; W500-L525 HydrophobicContact CZ2-CD1 4.47Å; W500-L525 HydrophobicContact CZ2-CD2 4.25Å; W500-L525 HydrophobicContact CZ2-CG 4.21Å
501Y94.1Very high94.5Very high4 Ų420.6 Ų20.62%0.01611%0.11CC..EExtended strand (participates in β ladder)trans-100.7139.1175.5-71.8-71.4000112.2V62 L83 E85 I89 S495 D498 I513 N514 R515V62-Y501 HydrophobicContact CG2-CD2 4.06Å; L83-Y501 HydrophobicContact CD2-CD1 4.13Å; L83-Y501 HydrophobicContact CD2-CD2 3.88Å; L83-Y501 HydrophobicContact CD2-CE1 3.92Å; L83-Y501 HydrophobicContact CD2-CE2 3.66Å; L83-Y501 HydrophobicContact CD2-CG 4.11Å; E85-Y501 WeakPolarHBondContact OE1-CE2 3.37Å; E85-Y501 PolarHBondContact OE1-OH 3.27Å; I89-Y501 HydrophobicContact CD1-CE1 4.38Å; S495-Y501 WeakPolarHBondContact CB-O 3.49Å; S495-Y501 PolarHBondContact N-O 3.31Å; D498-Y501 HydrophobicContact CB-CD2 3.91Å; Y501-I513 HydrophobicContact CD1-CG2 3.62Å; Y501-I513 HydrophobicContact CE1-CG2 4.35Å; Y501-I513 HydrophobicContact CG-CG2 4.36Å; Y501-N514 WeakPolarHBondContact CA-O 3.01Å; Y501-R515 HydrophobicContact CD1-CB 3.96Å; Y501-R515 HydrophobicContact CD1-CG 4.47Å; Y501-R515 HydrophobicContact CE1-CB 3.72Å; Y501-R515 HydrophobicContact CE1-CG 4.14Å
502F96.7Very high94.4Very high0 Ų020.7 Ų20.70%011%0.109CC..EExtended strand (participates in β ladder)trans-141.1146.2169.558.9-84.8000110F6 L416 V424 L482 E493 W494 N514 V516F6-F502 HydrophobicContact CE1-CZ 4.38Å; L416-F502 HydrophobicContact CD1-CB 3.43Å; L416-F502 VanDerWaalsContact CD1-CB 3.43Å; L416-F502 HydrophobicContact CD1-CD1 4.31Å; L416-F502 HydrophobicContact CD1-CD2 3.76Å; L416-F502 HydrophobicContact CD1-CG 3.58Å; L416-F502 HydrophobicContact CD2-CD2 3.95Å; L416-F502 HydrophobicContact CD2-CE2 3.97Å; L416-F502 HydrophobicContact CD2-CG 4.23Å; L416-F502 HydrophobicContact CD2-CZ 4.28Å; V424-F502 HydrophobicContact CG1-CE2 4.1Å; L482-F502 HydrophobicContact CD1-CE2 3.74Å; L482-F502 HydrophobicContact CD1-CZ 3.76Å; E493-F502 WeakPolarHBondContact O-CA 3.38Å; W494-F502 HydrophobicContact CD2-CB 4.21Å; W494-F502 HydrophobicContact CE3-CB 3.76Å; W494-F502 HydrophobicContact CE3-CD1 4.18Å; W494-F502 HydrophobicContact CE3-CG 4.36Å; W494-F502 HydrophobicContact CH2-CD1 4.25Å; W494-F502 HydrophobicContact CZ3-CB 4.16Å; W494-F502 AromaticContact CZ3-CD1 3.69Å; W494-F502 HydrophobicContact CZ3-CD1 3.69Å; W494-F502 HydrophobicContact CZ3-CG 4.27Å; F502-N514 HydrophobicContact CD1-CB 4.44Å; F502-N514 HydrophobicContact CD2-CB 4.05Å; F502-N514 HydrophobicContact CE1-CB 3.92Å; F502-N514 HydrophobicContact CE2-CB 3.48Å; F502-N514 VanDerWaalsContact CE2-CB 3.48Å; F502-N514 HydrophobicContact CZ-CB 3.4Å; F502-N514 VanDerWaalsContact CZ-CB 3.4Å; F502-N514 PolarHBondContact N-O 3.03Å; F502-N514 PolarHBondContact O-N 3.16Å; F502-V516 HydrophobicContact CD1-CG2 4.25Å; F502-V516 HydrophobicContact CE1-CG2 4.02Å
503A97.2Very high94.4Very high0 Ų020.8 Ų20.80%011%0.11CC..EExtended strand (participates in β ladder)trans-108.2155.4179.300000110.7L21 F64 A492 E493 F511 L512 I513L21-A503 HydrophobicContact CD1-CB 4.31Å; L21-A503 HydrophobicContact CD2-CB 3.89Å; F64-A503 HydrophobicContact CD1-CB 3.69Å; F64-A503 HydrophobicContact CD2-CB 3.85Å; F64-A503 HydrophobicContact CE1-CB 3.6Å; F64-A503 HydrophobicContact CE2-CB 3.74Å; F64-A503 HydrophobicContact CG-CB 3.82Å; F64-A503 HydrophobicContact CZ-CB 3.61Å; A492-A503 CarbonylContact C-O 3.55Å; A492-A503 WeakPolarHBondContact CA-O 3.45Å; E493-A503 PolarHBondContact N-O 2.93Å; E493-A503 PolarHBondContact O-N 3.46Å; A503-F511 HydrophobicContact CB-CE2 3.6Å; A503-F511 HydrophobicContact CB-CZ 3.6Å; A503-L512 CarbonylContact C-O 3.59Å; A503-L512 VanDerWaalsContact CA-O 3.29Å; A503-L512 WeakPolarHBondContact CA-O 3.28Å; A503-I513 HydrophobicContact CB-CG1 4.2Å
504S97.6Very high94.2Very high0 Ų019.5 Ų19.50%010%0.104CC..EExtended strand (participates in β ladder)trans-141.2147.2173.357.20000110.2H485 A491 L512H485-S504 PolarHBondContact NE2-OG 2.91Å; A491-S504 WeakPolarHBondContact O-CA 3.32Å; S504-L512 PolarHBondContact N-O 3.29Å; S504-L512 PolarHBondContact O-N 3.05Å
505I96.9Very high93.9Very high0 Ų022.5 Ų22.50%012%0.115CC..EExtended strand (participates in β ladder)trans-132.3128.4-179-170.473.1000111V14 V18 L21 V66 V489 Y490 A491 F511V14-I505 HydrophobicContact CG2-CD1 3.75Å; V18-I505 HydrophobicContact CB-CG1 3.98Å; V18-I505 HydrophobicContact CG2-CD1 3.79Å; V18-I505 HydrophobicContact CG2-CG1 3.31Å; L21-I505 HydrophobicContact CB-CG2 3.72Å; L21-I505 HydrophobicContact CD2-CB 4.39Å; L21-I505 HydrophobicContact CD2-CG2 4.15Å; V66-I505 HydrophobicContact CG1-CD1 4.1Å; V66-I505 HydrophobicContact CG1-CG1 4.07Å; V66-I505 HydrophobicContact CG2-CD1 4.46Å; V489-I505 CarbonylContact C-O 3.6Å; V489-I505 WeakPolarHBondContact CA-O 3.42Å; V489-I505 WeakPolarHBondContact CG1-O 3.38Å; Y490-I505 PolarHBondContact N-O 2.93Å; Y490-I505 VanDerWaalsContact N-O 3.13Å; A491-I505 HydrophobicContact CB-CG2 4.03Å; A491-I505 PolarHBondContact O-N 3.28Å; I505-F511 HydrophobicContact CD1-CB 3.65Å; I505-F511 HydrophobicContact CD1-CD2 4.15Å; I505-F511 HydrophobicContact CD1-CG 4.41Å
506S96.3Very high93.8Very high0 Ų022.4 Ų22.40%011%0.114CC..EExtended strand (participates in β ladder)trans-98.1160.4173.452.80000112.5V18 H485 S488 D508 G509 N510V18-S506 WeakPolarHBondContact CG2-O 3.44Å; H485-S506 WeakPolarHBondContact ND1-CB 2.97Å; H485-S506 PolarHBondContact ND1-OG 3.08Å; H485-S506 VanDerWaalsContact ND1-OG 3.13Å; S488-S506 CarbonylContact O-C 3.59Å; S488-S506 VanDerWaalsContact O-CA 3.28Å; S488-S506 WeakPolarHBondContact O-CA 3.32Å; S506-D508 VanDerWaalsContact CB-OD1 3.26Å; S506-D508 WeakPolarHBondContact CB-OD1 3.39Å; S506-D508 PolarHBondContact O-N 2.9Å; S506-D508 PolarHBondContact OG-OD1 2.83Å; S506-G509 PolarHBondContact O-N 2.79Å; S506-N510 PolarHBondContact N-O 2.89Å; S506-N510 WeakPolarHBondContact OG-CB 3.48Å; S506-N510 PolarHBondContact OG-O 3.28Å
507Y95.5Very high93.7Very high87 Ų8720.5 Ų20.534%0.34110%0.102SC..THydrogen-bonded Turntrans-52.5-37.5-176.7-178.3-118.5000114.8N17 S488 Y490 G509N17-Y507 WeakPolarHBondContact CA-O 3.49Å; N17-Y507 HydrophobicContact CB-CE2 4.38Å; N17-Y507 PolarHBondContact N-O 3.41Å; N17-Y507 PolarHBondContact OD1-OH 3.38Å; S488-Y507 PolarHBondContact O-N 3.37Å; Y490-Y507 HydrophobicContact CD2-CD2 4.43Å; Y490-Y507 AromaticContact CE2-CD2 3.6Å; Y490-Y507 HydrophobicContact CE2-CD2 3.6Å; Y490-Y507 HydrophobicContact CE2-CG 4.01Å; Y507-G509 PolarHBondContact O-N 3.04Å
508D94.5Very high93.6Very high68 Ų6822.7 Ų22.736%0.36411%0.112SC..THydrogen-bonded Turntrans-73.5-3.3-179.963.6-15000113.9P16 E487 S506 N510P16-D508 WeakPolarHBondContact CB-O 3.25Å; E487-D508 HydrophobicContact CB-CB 4.48Å; E487-D508 HydrophobicContact CG-CB 4.17Å; S506-D508 VanDerWaalsContact CB-OD1 3.26Å; S506-D508 WeakPolarHBondContact CB-OD1 3.39Å; S506-D508 PolarHBondContact O-N 2.9Å; S506-D508 PolarHBondContact OG-OD1 2.83Å; D508-N510 PolarHBondContact OD1-N 2.56Å
509G93.7Very high93.4Very high2 Ų224.5 Ų24.52%0.02112%0.119CC..  trans85.916.7-179.800000113.7V14 S506 Y507 F511V14-G509 WeakPolarHBondContact CG2-O 3.4Å; V14-G509 PolarHBondContact N-O 3.39Å; S506-G509 PolarHBondContact O-N 2.79Å; Y507-G509 PolarHBondContact O-N 3.04Å; G509-F511 PolarHBondContact O-N 2.84Å
510N95.5Very high93.3Very high48 Ų4823.9 Ų23.926%0.25711%0.112SC..EExtended strand (participates in β ladder)trans-78.1109.2169.4-167.824.4000109.8H485 S506 D508H485-N510 PolarHBondContact CE1-O 3.26Å; S506-N510 PolarHBondContact N-O 2.89Å; S506-N510 WeakPolarHBondContact OG-CB 3.48Å; S506-N510 PolarHBondContact OG-O 3.28Å; D508-N510 PolarHBondContact OD1-N 2.56Å
511F96.6Very high93Very high0 Ų025.2 Ų25.20%012%0.119CC..EExtended strand (participates in β ladder)trans-97.1127.3175.7175.2-90000109.4G11 V12 V14 L21 F64 V66 V81 L91 A503 I505 G509 I513G11-F511 CarbonylContact C-O 3.55Å; G11-F511 WeakPolarHBondContact CA-O 3.2Å; V12-F511 HydrophobicContact CG1-CB 4.25Å; V12-F511 HydrophobicContact CG1-CD1 3.81Å; V12-F511 HydrophobicContact CG1-CG 4.42Å; V12-F511 PolarHBondContact N-O 2.87Å; V12-F511 WeakPolarHBondContact O-CB 3.5Å; V12-F511 PolarHBondContact O-N 2.85Å; V12-F511 VanDerWaalsContact O-N 3.07Å; V14-F511 HydrophobicContact CG1-CB 4.27Å; L21-F511 HydrophobicContact CD1-CD2 4.32Å; L21-F511 HydrophobicContact CD1-CE2 3.67Å; F64-F511 HydrophobicContact CB-CE2 3.95Å; F64-F511 HydrophobicContact CB-CZ 3.83Å; F64-F511 AromaticContact CD2-CZ 3.86Å; F64-F511 HydrophobicContact CD2-CZ 3.86Å; F64-F511 HydrophobicContact CG-CE2 4.31Å; F64-F511 AromaticContact CG-CZ 3.99Å; F64-F511 HydrophobicContact CG-CZ 3.99Å; V66-F511 HydrophobicContact CG2-CD2 3.71Å; V66-F511 HydrophobicContact CG2-CE2 4.02Å; V81-F511 HydrophobicContact CB-CD1 4.39Å; V81-F511 HydrophobicContact CB-CE1 3.84Å; V81-F511 HydrophobicContact CB-CZ 4.02Å; V81-F511 HydrophobicContact CG1-CD1 3.98Å; V81-F511 HydrophobicContact CG1-CE1 3.45Å; V81-F511 VanDerWaalsContact CG1-CE1 3.45Å; V81-F511 HydrophobicContact CG1-CZ 4.1Å; V81-F511 HydrophobicContact CG2-CD1 4.23Å; V81-F511 HydrophobicContact CG2-CE1 4.15Å; V81-F511 HydrophobicContact CG2-CG 4.46Å; V81-F511 HydrophobicContact CG2-CZ 4.38Å; L91-F511 HydrophobicContact CD1-CD1 4.21Å; L91-F511 HydrophobicContact CD1-CE1 4.25Å; A503-F511 HydrophobicContact CB-CE2 3.6Å; A503-F511 HydrophobicContact CB-CZ 3.6Å; I505-F511 HydrophobicContact CD1-CB 3.65Å; I505-F511 HydrophobicContact CD1-CD2 4.15Å; I505-F511 HydrophobicContact CD1-CG 4.41Å; G509-F511 PolarHBondContact O-N 2.84Å; F511-I513 HydrophobicContact CD1-CG1 4.34Å; F511-I513 HydrophobicContact CE1-CD1 3.67Å; F511-I513 HydrophobicContact CE1-CG1 3.34Å; F511-I513 HydrophobicContact CZ-CD1 3.88Å; F511-I513 HydrophobicContact CZ-CG1 3.65Å
512L96Very high92.5Very high11 Ų1129.5 Ų29.56%0.05814%0.141CC..EExtended strand (participates in β ladder)trans-124.7133.2178.7-61.2-178.9000110.8S10 Q484 H485 A503 S504S10-L512 WeakPolarHBondContact O-CA 3.33Å; Q484-L512 HydrophobicContact CB-CD1 3.39Å; Q484-L512 HydrophobicContact CG-CD1 4.38Å; H485-L512 VanDerWaalsContact CE1-CD1 3.44Å; H485-L512 WeakPolarHBondContact CE1-CD1 3.47Å; H485-L512 VanDerWaalsContact CE1-CG 3.5Å; H485-L512 WeakPolarHBondContact CE1-CG 3.26Å; A503-L512 CarbonylContact C-O 3.59Å; A503-L512 VanDerWaalsContact CA-O 3.29Å; A503-L512 WeakPolarHBondContact CA-O 3.28Å; S504-L512 PolarHBondContact N-O 3.29Å; S504-L512 PolarHBondContact O-N 3.05Å
513I95.3Very high91.9Very high4 Ų431.7 Ų31.72%0.02115%0.153CC..EExtended strand (participates in β ladder)trans-101.6129.2164.6-63.7-171.6000108.6S9 S10 F64 L83 L91 Y501 A503 F511S9-I513 WeakPolarHBondContact CA-O 3.22Å; S10-I513 PolarHBondContact N-O 3.33Å; S10-I513 PolarHBondContact O-N 2.98Å; F64-I513 HydrophobicContact CD2-CD1 3.79Å; F64-I513 HydrophobicContact CD2-CG1 4.46Å; F64-I513 HydrophobicContact CE2-CD1 3.75Å; F64-I513 HydrophobicContact CE2-CG1 4.3Å; L83-I513 HydrophobicContact CB-CD1 4.47Å; L83-I513 HydrophobicContact CD1-CD1 4.1Å; L83-I513 HydrophobicContact CD1-CG2 4.21Å; L91-I513 HydrophobicContact CD2-CD1 3.62Å; L91-I513 HydrophobicContact CD2-CG1 4.19Å; Y501-I513 HydrophobicContact CD1-CG2 3.62Å; Y501-I513 HydrophobicContact CE1-CG2 4.35Å; Y501-I513 HydrophobicContact CG-CG2 4.36Å; A503-I513 HydrophobicContact CB-CG1 4.2Å; F511-I513 HydrophobicContact CD1-CG1 4.34Å; F511-I513 HydrophobicContact CE1-CD1 3.67Å; F511-I513 HydrophobicContact CE1-CG1 3.34Å; F511-I513 HydrophobicContact CZ-CD1 3.88Å; F511-I513 HydrophobicContact CZ-CG1 3.65Å
514N94Very high91.2Very high2 Ų232 Ų321%0.01116%0.155CC..EExtended strand (participates in β ladder)trans-117.9153.6175.7-76.9-79.5000109.8S9 L482 Q484 Y501 F502S9-N514 WeakPolarHBondContact CB-OD1 3.48Å; L482-N514 HydrophobicContact CD1-CB 4.27Å; Q484-N514 PolarHBondContact NE2-OD1 2.64Å; Q484-N514 PolarHBondContact OE1-ND2 3.01Å; Q484-N514 PolarHBondContact OE1-OD1 2.9Å; Q484-N514 VanDerWaalsContact OE1-OD1 3.06Å; Y501-N514 WeakPolarHBondContact CA-O 3.01Å; F502-N514 HydrophobicContact CD1-CB 4.44Å; F502-N514 HydrophobicContact CD2-CB 4.05Å; F502-N514 HydrophobicContact CE1-CB 3.92Å; F502-N514 HydrophobicContact CE2-CB 3.48Å; F502-N514 VanDerWaalsContact CE2-CB 3.48Å; F502-N514 HydrophobicContact CZ-CB 3.4Å; F502-N514 VanDerWaalsContact CZ-CB 3.4Å; F502-N514 PolarHBondContact N-O 3.03Å; F502-N514 PolarHBondContact O-N 3.16Å
515R91.8Very high90.5Very high67 Ų6734.5 Ų34.525%0.25317%0.168SC..EExtended strand (participates in β ladder)trans-115.5139.6173.4179.7175.2160.4171.1-6.7110.1P7 W500 Y501 D518P7-R515 HydrophobicContact CG-CB 3.86Å; P7-R515 HydrophobicContact CG-CG 4.39Å; W500-R515 HydrophobicContact CB-CG 4.42Å; W500-R515 CarbonylContact O-C 3.49Å; W500-R515 VanDerWaalsContact O-CA 3.28Å; W500-R515 WeakPolarHBondContact O-CA 3.29Å; Y501-R515 HydrophobicContact CD1-CB 3.96Å; Y501-R515 HydrophobicContact CD1-CG 4.47Å; Y501-R515 HydrophobicContact CE1-CB 3.72Å; Y501-R515 HydrophobicContact CE1-CG 4.14Å; R515-D518 IonicContact CZ-OD1 3.72Å; R515-D518 IonicContact NE-OD1 3.02Å; R515-D518 IonicContact NH2-OD1 3.28Å; R515-D518 PolarHBondContact NH2-OD1 3.08Å; R515-D518 IonicContact NH2-OD2 2.66Å
516V91.6Very high89.6Confident0 Ų039.1 Ų39.10%019%0.192CC..  trans-61.6131.2171.7178.40000109.3L426 W494 W500 F502 I520L426-V516 HydrophobicContact CD2-CG1 4.4Å; L426-V516 HydrophobicContact CD2-CG2 4.31Å; W494-V516 HydrophobicContact CH2-CG2 3.96Å; W494-V516 HydrophobicContact CZ3-CG2 3.8Å; W500-V516 HydrophobicContact CE3-CB 3.85Å; W500-V516 HydrophobicContact CE3-CG1 4.02Å; W500-V516 HydrophobicContact CE3-CG2 4.18Å; W500-V516 HydrophobicContact CZ3-CG1 4.24Å; W500-V516 PolarHBondContact O-N 3.5Å; F502-V516 HydrophobicContact CD1-CG2 4.25Å; F502-V516 HydrophobicContact CE1-CG2 4.02Å; V516-I520 HydrophobicContact CG1-CB 4.07Å; V516-I520 HydrophobicContact CG1-CG2 3.92Å
517P88.2Confident88.2Confident2 Ų241.9 Ų41.91%0.01321%0.205CC..  trans-58142.5-177.8-24.431.4000113.1F6 Q519 I520 K521F6-P517 HydrophobicContact CD1-CG 3.95Å; F6-P517 HydrophobicContact CD2-CG 3.58Å; F6-P517 HydrophobicContact CE1-CG 3.79Å; F6-P517 HydrophobicContact CE2-CG 3.32Å; F6-P517 HydrophobicContact CG-CG 3.86Å; F6-P517 HydrophobicContact CZ-CG 3.47Å; F6-P517 VanDerWaalsContact CZ-CG 3.47Å; P517-Q519 PolarHBondContact O-N 3.32Å; P517-Q519 VanDerWaalsContact O-N 3.17Å; P517-I520 HydrophobicContact CB-CD1 3.96Å; P517-I520 HydrophobicContact CG-CD1 3.78Å; P517-I520 PolarHBondContact O-N 2.8Å; P517-K521 PolarHBondContact O-N 3.3Å; P517-K521 VanDerWaalsContact O-N 3.08Å
518D86.3Confident86.6Confident84 Ų8439 Ų3945%0.44920%0.198SC..Hα-helixtrans-60.3-32.4-173.9-70.2-33.6000113.1R515 I520 K521 L522R515-D518 IonicContact CZ-OD1 3.72Å; R515-D518 IonicContact NE-OD1 3.02Å; R515-D518 IonicContact NH2-OD1 3.28Å; R515-D518 PolarHBondContact NH2-OD1 3.08Å; R515-D518 IonicContact NH2-OD2 2.66Å; D518-I520 VanDerWaalsContact C-N 3.32Å; D518-I520 PolarHBondContact O-N 3.16Å; D518-K521 WeakPolarHBondContact O-CB 3.47Å; D518-K521 PolarHBondContact O-N 3.42Å; D518-L522 WeakPolarHBondContact O-CB 3.36Å; D518-L522 VanDerWaalsContact O-CG 3.23Å; D518-L522 WeakPolarHBondContact O-CG 3.08Å; D518-L522 PolarHBondContact O-N 3.31Å
519Q84Confident84.7Confident86 Ų8641.1 Ų41.140%0.40221%0.209SC..Hα-helixtrans-60.7-41.2175.9-173.461.649.600112.4M1 P517 N523M1-Q519 HydrophobicContact CE-CB 4.18Å; M1-Q519 HydrophobicContact CE-CG 4Å; P517-Q519 PolarHBondContact O-N 3.32Å; P517-Q519 VanDerWaalsContact O-N 3.17Å; Q519-N523 PolarHBondContact NE2-OD1 3.06Å; Q519-N523 WeakPolarHBondContact O-CB 3.49Å; Q519-N523 PolarHBondContact O-N 3.18Å; Q519-N523 PolarHBondContact O-OD1 3.17Å
520I85.1Confident82.4Confident14 Ų1448 Ų487%0.07225%0.246CC..Hα-helixtrans-73.1-42.6179.2-65.7147.3000109.4M1 I479 V516 P517 D518 L522 N523 I524M1-I520 HydrophobicContact SD-CD1 4.1Å; M1-I520 HydrophobicContact SD-CG1 4.43Å; I479-I520 HydrophobicContact CD1-CG2 4.22Å; I479-I520 HydrophobicContact CG2-CD1 3.21Å; I479-I520 HydrophobicContact CG2-CG1 4.15Å; V516-I520 HydrophobicContact CG1-CB 4.07Å; V516-I520 HydrophobicContact CG1-CG2 3.92Å; P517-I520 HydrophobicContact CB-CD1 3.96Å; P517-I520 HydrophobicContact CG-CD1 3.78Å; P517-I520 PolarHBondContact O-N 2.8Å; D518-I520 VanDerWaalsContact C-N 3.32Å; D518-I520 PolarHBondContact O-N 3.16Å; I520-L522 VanDerWaalsContact C-N 3.32Å; I520-L522 PolarHBondContact O-N 3.32Å; I520-N523 PolarHBondContact O-N 3.3Å; I520-I524 HydrophobicContact CG2-CD1 3.7Å; I520-I524 HydrophobicContact CG2-CG1 4.3Å; I520-I524 WeakPolarHBondContact O-CB 3.26Å; I520-I524 VanDerWaalsContact O-CG1 3.25Å; I520-I524 WeakPolarHBondContact O-CG1 3.37Å; I520-I524 PolarHBondContact O-N 2.98Å
521K85.8Confident79.9Confident50 Ų5054.6 Ų54.622%0.21727%0.268CS..Hα-helixtrans-54.1-49.3173.3170.7172.4-180173.30111.3W500 P517 D518 I524 L525W500-K521 HydrophobicContact CD2-CB 4.26Å; W500-K521 HydrophobicContact CD2-CD 3.83Å; W500-K521 HydrophobicContact CD2-CG 3.94Å; W500-K521 HydrophobicContact CE3-CB 4.08Å; W500-K521 HydrophobicContact CE3-CD 4.47Å; W500-K521 HydrophobicContact CE3-CG 4.24Å; W500-K521 HydrophobicContact CG-CD 3.95Å; W500-K521 HydrophobicContact CH2-CB 4.11Å; W500-K521 HydrophobicContact CH2-CG 3.98Å; W500-K521 HydrophobicContact CZ2-CB 4.32Å; W500-K521 HydrophobicContact CZ2-CD 4.31Å; W500-K521 HydrophobicContact CZ2-CG 3.7Å; W500-K521 HydrophobicContact CZ3-CB 3.99Å; W500-K521 HydrophobicContact CZ3-CG 4.25Å; P517-K521 PolarHBondContact O-N 3.3Å; P517-K521 VanDerWaalsContact O-N 3.08Å; D518-K521 WeakPolarHBondContact O-CB 3.47Å; D518-K521 PolarHBondContact O-N 3.42Å; K521-I524 PolarHBondContact O-N 3.33Å; K521-L525 HydrophobicContact CG-CD1 3.84Å; K521-L525 WeakPolarHBondContact O-CB 3.38Å; K521-L525 VanDerWaalsContact O-CG 3.22Å; K521-L525 WeakPolarHBondContact O-CG 3.02Å; K521-L525 PolarHBondContact O-N 3.38Å
522L84.7Confident79.1Confident94 Ų9457.3 Ų57.349%0.49228%0.281SS..Hα-helixtrans-62.1-46.5177.5-71.9170.3000111.6D518 I520 I524 L525 L526D518-L522 WeakPolarHBondContact O-CB 3.36Å; D518-L522 VanDerWaalsContact O-CG 3.23Å; D518-L522 WeakPolarHBondContact O-CG 3.08Å; D518-L522 PolarHBondContact O-N 3.31Å; I520-L522 VanDerWaalsContact C-N 3.32Å; I520-L522 PolarHBondContact O-N 3.32Å; L522-I524 VanDerWaalsContact C-N 3.32Å; L522-I524 PolarHBondContact O-N 2.81Å; L522-L525 PolarHBondContact O-N 2.68Å; L522-L526 WeakPolarHBondContact O-CB 3.45Å; L522-L526 VanDerWaalsContact O-CG 3.26Å; L522-L526 WeakPolarHBondContact O-CG 3.43Å; L522-L526 PolarHBondContact O-N 3.26Å
523N83.3Confident78.2Confident47 Ų4759.7 Ų59.725%0.25129%0.293SS..Hα-helixtrans-58.7-43.4178-71.7-0.6000112.1Q519 I520 Q527Q519-N523 PolarHBondContact NE2-OD1 3.06Å; Q519-N523 WeakPolarHBondContact O-CB 3.49Å; Q519-N523 PolarHBondContact O-N 3.18Å; Q519-N523 PolarHBondContact O-OD1 3.17Å; I520-N523 PolarHBondContact O-N 3.3Å; N523-Q527 WeakPolarHBondContact O-CG 3.28Å; N523-Q527 PolarHBondContact O-N 3.15Å
524I82.1Confident77.2Confident5 Ų562.8 Ų62.83%0.02631%0.308CS..Hα-helixtrans-67.4-41.5178.6-68.1175.1000111.1Q413 L414 W500 I520 K521 L522 Q527 S528Q413-I524 HydrophobicContact CG-CD1 4.47Å; Q413-I524 VanDerWaalsContact NE2-CG1 3.34Å; L414-I524 HydrophobicContact CD1-CD1 3.84Å; L414-I524 HydrophobicContact CD2-CD1 3.92Å; L414-I524 HydrophobicContact CG-CD1 4Å; W500-I524 HydrophobicContact CH2-CB 4.21Å; W500-I524 HydrophobicContact CH2-CD1 4.38Å; W500-I524 HydrophobicContact CH2-CG2 4.01Å; W500-I524 HydrophobicContact CZ3-CD1 4.21Å; I520-I524 HydrophobicContact CG2-CD1 3.7Å; I520-I524 HydrophobicContact CG2-CG1 4.3Å; I520-I524 WeakPolarHBondContact O-CB 3.26Å; I520-I524 VanDerWaalsContact O-CG1 3.25Å; I520-I524 WeakPolarHBondContact O-CG1 3.37Å; I520-I524 PolarHBondContact O-N 2.98Å; K521-I524 PolarHBondContact O-N 3.33Å; L522-I524 VanDerWaalsContact C-N 3.32Å; L522-I524 PolarHBondContact O-N 2.81Å; I524-Q527 PolarHBondContact O-N 2.88Å; I524-S528 PolarHBondContact O-N 3.17Å
525L82.4Confident76.2Confident53 Ų5366.4 Ų66.428%0.27733%0.326SS..Hα-helixtrans-68.6-37.3179.8-71.7173000112.4W500 K521 L522 S528 N529W500-L525 HydrophobicContact CZ2-CD1 4.47Å; W500-L525 HydrophobicContact CZ2-CD2 4.25Å; W500-L525 HydrophobicContact CZ2-CG 4.21Å; K521-L525 HydrophobicContact CG-CD1 3.84Å; K521-L525 WeakPolarHBondContact O-CB 3.38Å; K521-L525 VanDerWaalsContact O-CG 3.22Å; K521-L525 WeakPolarHBondContact O-CG 3.02Å; K521-L525 PolarHBondContact O-N 3.38Å; L522-L525 PolarHBondContact O-N 2.68Å; L525-S528 WeakPolarHBondContact CA-OG 3.3Å; L525-S528 PolarHBondContact O-N 2.82Å; L525-S528 PolarHBondContact O-OG 2.66Å; L525-N529 WeakPolarHBondContact O-CB 2.91Å; L525-N529 PolarHBondContact O-N 3.39Å; L525-N529 VanDerWaalsContact O-N 3.09Å
526L79Confident75.2Confident98 Ų9866.4 Ų66.451%0.51333%0.33SS..Hα-helixtrans-64.9-41.3175.8-70.4171.4000111.4L522 S528 N529 D530L522-L526 WeakPolarHBondContact O-CB 3.45Å; L522-L526 VanDerWaalsContact O-CG 3.26Å; L522-L526 WeakPolarHBondContact O-CG 3.43Å; L522-L526 PolarHBondContact O-N 3.26Å; L526-S528 PolarHBondContact O-N 3.45Å; L526-N529 PolarHBondContact O-N 3.14Å; L526-D530 PolarHBondContact O-N 3.5Å
527Q67.7Low74.2Confident57 Ų5770.8 Ų70.827%0.26635%0.352SS..Hα-helixtrans-57.9-35.4172.6-73.7177.3-25.900113.1N474 N523 I524 N529 Y531N474-Q527 PolarHBondContact ND2-NE2 2.97Å; N523-Q527 WeakPolarHBondContact O-CG 3.28Å; N523-Q527 PolarHBondContact O-N 3.15Å; I524-Q527 PolarHBondContact O-N 2.88Å; Q527-N529 VanDerWaalsContact C-N 3.35Å; Q527-Y531 WeakPolarHBondContact O-CE2 3.38Å
528S61.1Low73.2Confident28 Ų2875.7 Ų75.720%0.19638%0.377CS..Hα-helixtrans-81-11.1176.464.40000114.6I524 L525 L526 Y531I524-S528 PolarHBondContact O-N 3.17Å; L525-S528 WeakPolarHBondContact CA-OG 3.3Å; L525-S528 PolarHBondContact O-N 2.82Å; L525-S528 PolarHBondContact O-OG 2.66Å; L526-S528 PolarHBondContact O-N 3.45Å; S528-Y531 VanDerWaalsContact O-CD2 3.26Å; S528-Y531 WeakPolarHBondContact O-CD2 3.24Å
529N54.6Low72.1Confident112 Ų11275.1 Ų75.160%0.59937%0.371SS*.Hα-helixtrans-108-9.7-178.2-77.2-10.1000113.6L525 L526 Q527 Y531L525-N529 WeakPolarHBondContact O-CB 2.91Å; L525-N529 PolarHBondContact O-N 3.39Å; L525-N529 VanDerWaalsContact O-N 3.09Å; L526-N529 PolarHBondContact O-N 3.14Å; Q527-N529 VanDerWaalsContact C-N 3.35Å; N529-Y531 PolarHBondContact O-N 3.45Å
530D46Very low71.2Confident147 Ų14774.2 Ų74.279%0.78637%0.368SS*.  trans-71.119169.7-76.1-24.9000112.9L526L526-D530 PolarHBondContact O-N 3.5Å
531Y42.1Very low69.9Low185 Ų18579.6 Ų79.673%0.72540%0.395SS*.  trans-103.10170.9-63.6-87.1000110L438 Q527 S528 N529L438-Y531 HydrophobicContact CB-CE1 4.4Å; L438-Y531 HydrophobicContact CD1-CE1 4.22Å; L438-Y531 VanDerWaalsContact CD1-OH 3.29Å; L438-Y531 WeakPolarHBondContact CD1-OH 3.2Å; Q527-Y531 WeakPolarHBondContact O-CE2 3.38Å; S528-Y531 VanDerWaalsContact O-CD2 3.26Å; S528-Y531 WeakPolarHBondContact O-CD2 3.24Å; N529-Y531 PolarHBondContact O-N 3.45Å

Retrieved 531 of 531 residues in 543.1 ms (Link to these results)

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