A0A077Z5X5_TRITR Loading...

DUF290 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z5X5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 138 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M63.1Low72Confident197 Ų197136.1 Ų136.197%0.9765%0.654SS**  0-51.50-68.5174.483.700113.5K3 V4 L5M1-K3 PolarHBondContact O-N 2.96Å; M1-V4 PolarHBondContact O-N 3.39Å; M1-L5 PolarHBondContact O-N 2.69Å
2R76.1Confident71.3Confident223 Ų223141.7 Ų141.784%0.84267%0.666SS**Hα-helixtrans-57.2-38.1-177.1-156.5173.1179.6-177.4-1115.4F6R2-F6 PolarHBondContact O-N 3.47Å
3K78.1Confident70.3Confident182 Ų182144.1 Ų144.179%0.79167%0.673SS**Hα-helixtrans-66.4-35.4175-65-174.9179.1-177.90113.1M1 F6 I7M1-K3 PolarHBondContact O-N 2.96Å; K3-F6 PolarHBondContact O-N 3.39Å; K3-I7 WeakPolarHBondContact O-CG1 3.39Å; K3-I7 PolarHBondContact O-N 3.44Å; K3-I7 VanDerWaalsContact O-N 3.11Å
4V78.9Confident69.6Low88 Ų88139 Ų13953%0.53367%0.668SS.*Hα-helixtrans-71-41.4179.4-179.30000110.6M1 F6 I7 L8M1-V4 PolarHBondContact O-N 3.39Å; V4-F6 VanDerWaalsContact C-N 3.32Å; V4-F6 PolarHBondContact O-N 3.13Å; V4-I7 PolarHBondContact O-N 3.44Å; V4-L8 HydrophobicContact CG1-CD1 3.97Å; V4-L8 HydrophobicContact CG1-CG 4.46Å; V4-L8 WeakPolarHBondContact O-CB 3.13Å; V4-L8 WeakPolarHBondContact O-CG 3.04Å; V4-L8 PolarHBondContact O-N 2.85Å
5L76.2Confident68.8Low119 Ų119132.8 Ų132.862%0.62366%0.655SS**Hα-helixtrans-61.6-37.9172.6-96.7114.6000112.7M1 L8 S9M1-L5 PolarHBondContact O-N 2.69Å; L5-L8 PolarHBondContact O-N 2.7Å; L5-S9 WeakPolarHBondContact O-CB 3.12Å; L5-S9 PolarHBondContact O-N 3.43Å
6F76.1Confident68.3Low155 Ų155133.4 Ų133.468%0.6866%0.661SS**Hα-helixtrans-65.7-42.5177.1-127-87.1000111.9R2 K3 V4 S9 L10R2-F6 PolarHBondContact O-N 3.47Å; K3-F6 PolarHBondContact O-N 3.39Å; V4-F6 VanDerWaalsContact C-N 3.32Å; V4-F6 PolarHBondContact O-N 3.13Å; F6-S9 PolarHBondContact O-N 3.15Å; F6-L10 PolarHBondContact O-N 3.23Å
7I75.1Confident67.9Low96 Ų96133.6 Ų133.649%0.49266%0.663SS.*Hα-helixtrans-65.2-44.9175.7-66.8166.5000110.5K3 V4 S9 L10 F11K3-I7 WeakPolarHBondContact O-CG1 3.39Å; K3-I7 PolarHBondContact O-N 3.44Å; K3-I7 VanDerWaalsContact O-N 3.11Å; V4-I7 PolarHBondContact O-N 3.44Å; I7-S9 VanDerWaalsContact C-N 3.34Å; I7-S9 PolarHBondContact O-N 3.32Å; I7-L10 WeakPolarHBondContact O-CB 3.35Å; I7-L10 PolarHBondContact O-N 2.88Å; I7-L10 VanDerWaalsContact O-N 3.16Å; I7-F11 HydrophobicContact CG2-CD2 3.68Å; I7-F11 HydrophobicContact CG2-CE2 3.47Å; I7-F11 VanDerWaalsContact CG2-CE2 3.47Å; I7-F11 WeakPolarHBondContact O-CD2 3.27Å; I7-F11 PolarHBondContact O-N 2.84Å
8L70.9Confident67.9Low109 Ų109132.4 Ų132.457%0.57166%0.655SS**Hα-helixtrans-62.7-38.4176.2-73.7167000112.6V4 L5 F11 Y12V4-L8 HydrophobicContact CG1-CD1 3.97Å; V4-L8 HydrophobicContact CG1-CG 4.46Å; V4-L8 WeakPolarHBondContact O-CB 3.13Å; V4-L8 WeakPolarHBondContact O-CG 3.04Å; V4-L8 PolarHBondContact O-N 2.85Å; L5-L8 PolarHBondContact O-N 2.7Å; L8-F11 PolarHBondContact O-N 3.3Å; L8-Y12 WeakPolarHBondContact O-CB 3.33Å; L8-Y12 PolarHBondContact O-N 2.02Å
9S71.4Confident68.1Low56 Ų56130.1 Ų130.139%0.39265%0.652SS.*Hα-helixtrans-63.3-41.6172.5167.80000111.5L5 F6 I7 F11 Y12 F13L5-S9 WeakPolarHBondContact O-CB 3.12Å; L5-S9 PolarHBondContact O-N 3.43Å; F6-S9 PolarHBondContact O-N 3.15Å; I7-S9 VanDerWaalsContact C-N 3.34Å; I7-S9 PolarHBondContact O-N 3.32Å; S9-F11 VanDerWaalsContact C-N 3.35Å; S9-Y12 PolarHBondContact O-N 3.15Å; S9-F13 VanDerWaalsContact O-CD2 3.27Å; S9-F13 WeakPolarHBondContact O-CD2 3.43Å; S9-F13 PolarHBondContact O-N 3.1Å
10L64.5Low68.8Low126 Ų126124.6 Ų124.666%0.6663%0.628SS**Hα-helixtrans-64-39.9176.8-158.477.7000111.4F6 I7 F13 A14F6-L10 PolarHBondContact O-N 3.23Å; I7-L10 WeakPolarHBondContact O-CB 3.35Å; I7-L10 PolarHBondContact O-N 2.88Å; I7-L10 VanDerWaalsContact O-N 3.16Å; L10-F13 PolarHBondContact O-N 3.43Å; L10-A14 VanDerWaalsContact O-CB 3.24Å; L10-A14 WeakPolarHBondContact O-CB 3.29Å; L10-A14 PolarHBondContact O-N 2.78Å
11F61.1Low69.8Low146 Ų146124.4 Ų124.464%0.6463%0.625SS**Hα-helixtrans-69.2-31.8173.6-79.6-69.4000113.4I7 L8 S9 A14 G15I7-F11 HydrophobicContact CG2-CD2 3.68Å; I7-F11 HydrophobicContact CG2-CE2 3.47Å; I7-F11 VanDerWaalsContact CG2-CE2 3.47Å; I7-F11 WeakPolarHBondContact O-CD2 3.27Å; I7-F11 PolarHBondContact O-N 2.84Å; L8-F11 PolarHBondContact O-N 3.3Å; S9-F11 VanDerWaalsContact C-N 3.35Å; F11-A14 PolarHBondContact O-N 3.22Å; F11-G15 PolarHBondContact O-N 2.71Å
12Y63.5Low71.3Confident203 Ų203119 Ų11980%0.79660%0.596SS**Hα-helixtrans-67.8-37.5174.6-155.8-95.4000111.5L8 S9 G15L8-Y12 WeakPolarHBondContact O-CB 3.33Å; L8-Y12 PolarHBondContact O-N 2.02Å; S9-Y12 PolarHBondContact O-N 3.15Å; Y12-G15 PolarHBondContact O-N 3.32Å
13F58.8Low72.3Confident173 Ų173109.6 Ų109.676%0.75956%0.564SS**Hα-helixtrans-79.5-27.5173.7-79.2-71.6000113.8S9 L10 G15S9-F13 VanDerWaalsContact O-CD2 3.27Å; S9-F13 WeakPolarHBondContact O-CD2 3.43Å; S9-F13 PolarHBondContact O-N 3.1Å; L10-F13 PolarHBondContact O-N 3.43Å; F13-G15 PolarHBondContact O-N 3.03Å
14A60.8Low73.2Confident73 Ų73101 Ų10160%0.60353%0.527SS*.THydrogen-bonded Turntrans-75.8-0.4171.400000112.8L10 F11 L16L10-A14 VanDerWaalsContact O-CB 3.24Å; L10-A14 WeakPolarHBondContact O-CB 3.29Å; L10-A14 PolarHBondContact O-N 2.78Å; F11-A14 PolarHBondContact O-N 3.22Å; A14-L16 PolarHBondContact O-N 2.95Å; A14-L16 VanDerWaalsContact O-N 3.08Å
15G56.7Low74.1Confident46 Ų4697.5 Ų97.547%0.47451%0.505SS..  trans-66.5104.7178.500000111.8F11 Y12 F13F11-G15 PolarHBondContact O-N 2.71Å; Y12-G15 PolarHBondContact O-N 3.32Å; F13-G15 PolarHBondContact O-N 3.03Å
16L60.7Low75Confident142 Ų14291.9 Ų91.974%0.74348%0.476SS*.  trans79.668.1156.9-45.1176000115.7A14 Q18A14-L16 PolarHBondContact O-N 2.95Å; A14-L16 VanDerWaalsContact O-N 3.08Å; L16-Q18 VanDerWaalsContact C-N 3.25Å; L16-Q18 HydrophobicContact CB-CG 4.1Å; L16-Q18 PolarHBondContact O-N 3.06Å
17I61.8Low75.9Confident137 Ų13786.6 Ų86.670%0.70346%0.456SS*.  trans-63.1101.9144.3-59.6174.1000105.2A88I17-A88 HydrophobicContact CG2-CB 3.84Å
18Q67.6Low76.9Confident112 Ų11282.5 Ų82.552%0.52344%0.437SS..  trans-82.7122.2170.9-60.7-170.5-91.300106.3L16 D89L16-Q18 VanDerWaalsContact C-N 3.25Å; L16-Q18 HydrophobicContact CB-CG 4.1Å; L16-Q18 PolarHBondContact O-N 3.06Å; Q18-D89 HydrophobicContact CB-CB 4.45Å; Q18-D89 WeakPolarHBondContact O-CB 3.21Å; Q18-D89 PolarHBondContact O-N 2.89Å
19C72.2Confident77.9Confident88 Ų8881 Ų8160%0.59543%0.426SS*.EExtended strand (participates in β ladder)trans-93127.3168-65.80000107.9D87C19-D87 CarbonylContact C-O 3.56Å; C19-D87 VanDerWaalsContact CA-O 3.28Å; C19-D87 WeakPolarHBondContact CA-O 3.09Å
20A82Confident79Confident21 Ų2178.3 Ų78.317%0.17441%0.408CS..EExtended strand (participates in β ladder)trans-98.391175.200000109.8K22 D87 L97A20-K22 PolarHBondContact O-N 3.25Å; A20-D87 PolarHBondContact N-O 2.9Å; A20-L97 HydrophobicContact CB-CD2 3.9Å
21Q90Very high80.4Confident121 Ų12176.9 Ų76.957%0.56539%0.394SS*.EExtended strand (participates in β ladder)trans-69.6125.1171.9-169.8174.5-37.500110.2C84 G85 D86Q21-C84 HydrophobicContact CG-CB 4.31Å; Q21-G85 WeakPolarHBondContact CA-O 3.49Å; Q21-D86 WeakPolarHBondContact CA-OD1 3.26Å; Q21-D86 WeakPolarHBondContact CB-OD1 3.45Å; Q21-D86 WeakPolarHBondContact CG-OD1 3.12Å
22K94.7Very high82Confident83 Ų8370.1 Ų70.136%0.36137%0.365SS..EExtended strand (participates in β ladder)trans-129.4146.7169.8-67-67.2-174178.40110.8A20 C84 G85 L97 P98 F124A20-K22 PolarHBondContact O-N 3.25Å; K22-C84 CarbonylContact O-C 3.52Å; K22-C84 WeakPolarHBondContact O-CA 2.99Å; K22-G85 PolarHBondContact N-O 2.85Å; K22-G85 PolarHBondContact O-N 2.9Å; K22-L97 HydrophobicContact CG-CD2 3.99Å; K22-P98 HydrophobicContact CB-CG 4.03Å; K22-F124 HydrophobicContact CB-CD1 3.58Å; K22-F124 HydrophobicContact CB-CE1 3.62Å; K22-F124 HydrophobicContact CB-CG 4.17Å; K22-F124 HydrophobicContact CB-CZ 4.23Å; K22-F124 HydrophobicContact CD-CG 4.39Å; K22-F124 HydrophobicContact CG-CD1 4.23Å; K22-F124 HydrophobicContact CG-CE1 4.22Å; K22-F124 HydrophobicContact CG-CG 4.4Å; K22-F124 HydrophobicContact CG-CZ 4.37Å
23C96.4Very high83.4Confident26 Ų2668.4 Ų68.418%0.17636%0.357CS..EExtended strand (participates in β ladder)trans-118.1154.4177.8-51.40000110.6G83 C84 F124 F125C23-G83 CarbonylContact C-O 3.52Å; C23-G83 WeakPolarHBondContact CA-O 3.41Å; C23-G83 WeakPolarHBondContact CB-O 3.32Å; C23-C84 HydrophobicContact CB-CB 4.02Å; C23-C84 WeakPolarHBondContact CB-SG 3.28Å; C23-C84 WeakPolarHBondContact SG-CB 3.2Å; C23-C84 CovalentContact SG-SG 2.04Å; C23-C84 PolarHBondContact SG-SG 3.5Å; C23-F124 CarbonylContact O-C 3.53Å; C23-F124 WeakPolarHBondContact O-CA 3.04Å; C23-F125 HydrophobicContact CB-CB 4.19Å; C23-F125 WeakPolarHBondContact O-CB 3.09Å; C23-F125 PolarHBondContact O-N 3.23Å
24V97.6Very high85.1Confident0 Ų068.8 Ų68.80%035%0.353CS..EExtended strand (participates in β ladder)trans-122.2139.7174.1169.40000108.1A26 L46 M64 H82 G83 P100 I122 F124V24-A26 HydrophobicContact CG1-CB 4.32Å; V24-L46 HydrophobicContact CB-CD1 4.35Å; V24-L46 HydrophobicContact CB-CD2 3.73Å; V24-L46 HydrophobicContact CG1-CD1 4.09Å; V24-L46 HydrophobicContact CG1-CD2 4.08Å; V24-M64 HydrophobicContact CG2-CE 4.19Å; V24-H82 VanDerWaalsContact O-CA 3.27Å; V24-H82 WeakPolarHBondContact O-CA 3.44Å; V24-H82 PolarHBondContact O-CD2 2.71Å; V24-G83 PolarHBondContact N-O 2.71Å; V24-G83 PolarHBondContact O-N 2.99Å; V24-G83 VanDerWaalsContact O-N 3.16Å; V24-P100 HydrophobicContact CG2-CB 3.83Å; V24-P100 HydrophobicContact CG2-CG 3.92Å; V24-I122 HydrophobicContact CB-CG2 4.33Å; V24-I122 HydrophobicContact CG1-CG2 3.49Å; V24-I122 VanDerWaalsContact CG1-CG2 3.49Å; V24-I122 HydrophobicContact CG2-CG2 3.84Å; V24-F124 HydrophobicContact CG2-CD1 3.92Å; V24-F124 HydrophobicContact CG2-CE1 4.29Å
25E97.2Very high86.5Confident16 Ų1668.4 Ų68.48%0.07534%0.341CS..EExtended strand (participates in β ladder)trans-120.3119.8162.7-175.3170.5114.500108.2K80 I81 F125 K128 T129E25-K80 WeakPolarHBondContact OE1-CE 3.42Å; E25-K80 IonicContact OE1-NZ 3.92Å; E25-K80 PolarHBondContact OE1-NZ 3.48Å; E25-K80 WeakPolarHBondContact OE2-CE 3.24Å; E25-K80 IonicContact OE2-NZ 3.25Å; E25-K80 PolarHBondContact OE2-NZ 3.2Å; E25-I81 WeakPolarHBondContact CA-O 3.2Å; E25-F125 HydrophobicContact CB-CD2 3.99Å; E25-K128 WeakPolarHBondContact OE1-CD 3.48Å; E25-K128 WeakPolarHBondContact OE1-CE 3.49Å; E25-K128 IonicContact OE1-NZ 2.71Å; E25-K128 PolarHBondContact OE1-NZ 2.93Å; E25-T129 PolarHBondContact O-N 3.3Å
26A96.5Very high88.2Confident1 Ų170.2 Ų70.21%0.00835%0.345CS..EExtended strand (participates in β ladder)trans-129145178.800000111.7V24 K80 I81 T129 L131V24-A26 HydrophobicContact CG1-CB 4.32Å; A26-K80 WeakPolarHBondContact O-CA 3.26Å; A26-I81 HydrophobicContact CB-CG2 3.84Å; A26-I81 PolarHBondContact N-O 3.08Å; A26-I81 PolarHBondContact O-N 2.92Å; A26-T129 CarbonylContact C-O 3.54Å; A26-T129 VanDerWaalsContact CA-O 3.26Å; A26-T129 WeakPolarHBondContact CA-O 3.27Å; A26-T129 HydrophobicContact CB-CG2 4.44Å; A26-L131 HydrophobicContact CB-CD1 4.26Å
27T95.2Very high89.6Confident44 Ų4466.6 Ų66.627%0.2734%0.335SS..EExtended strand (participates in β ladder)trans-124.7152.9172.258.90000110F79 K80 T129 L131T27-F79 WeakPolarHBondContact CA-O 3.45Å; T27-K80 HydrophobicContact CG2-CB 4.16Å; T27-K80 HydrophobicContact CG2-CG 4.05Å; T27-T129 PolarHBondContact N-O 3.39Å; T27-L131 WeakPolarHBondContact O-CB 3.45Å; T27-L131 PolarHBondContact O-N 3.18Å
28G94.8Very high90.9Very high9 Ų960.2 Ų60.29%0.09330%0.303CS..EExtended strand (participates in β ladder)trans-168.3174.317700000111.6T78 F79 G132G28-T78 WeakPolarHBondContact O-CA 3.36Å; G28-F79 PolarHBondContact N-O 2.81Å; G28-F79 VanDerWaalsContact N-O 3.14Å; G28-F79 WeakPolarHBondContact O-CD1 3.42Å; G28-F79 PolarHBondContact O-N 2.85Å; G28-G132 WeakPolarHBondContact CA-O 3.32Å
29K93.4Very high91.9Very high77 Ų7755.7 Ų55.734%0.33528%0.282SS..EExtended strand (participates in β ladder)trans-131.8117.9175.6-179.3165.3179.2145.90110.2D76 G132 I133 I134K29-D76 WeakPolarHBondContact CE-O 3.49Å; K29-D76 IonicContact NZ-OD2 3.44Å; K29-D76 PolarHBondContact NZ-OD2 3.16Å; K29-G132 PolarHBondContact N-O 2.96Å; K29-I133 CarbonylContact O-C 3.53Å; K29-I133 WeakPolarHBondContact O-CA 3.46Å; K29-I134 PolarHBondContact O-N 3.19Å
30L94Very high92.6Very high1 Ų154.9 Ų54.91%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-73.9135.4173.4-56.7-177.3000109.7L39 A42 V44 G77 F79 I104 I134 L136L30-L39 HydrophobicContact CB-CD2 3.68Å; L30-A42 HydrophobicContact CD1-CB 3.57Å; L30-V44 HydrophobicContact CD1-CG2 4.06Å; L30-G77 PolarHBondContact N-O 3.06Å; L30-F79 HydrophobicContact CD2-CD1 4.24Å; L30-F79 HydrophobicContact CD2-CE1 3.76Å; L30-F79 HydrophobicContact CG-CD1 4.02Å; L30-F79 HydrophobicContact CG-CE1 4.04Å; L30-I104 HydrophobicContact CD1-CG2 4.43Å; L30-I104 HydrophobicContact CD2-CD1 3.82Å; L30-I104 HydrophobicContact CD2-CG1 4.44Å; L30-I104 HydrophobicContact CD2-CG2 4.11Å; L30-I134 HydrophobicContact CD2-CB 4.27Å; L30-I134 HydrophobicContact CD2-CD1 4.25Å; L30-I134 HydrophobicContact CD2-CG2 4.48Å; L30-L136 HydrophobicContact CB-CD1 4.02Å; L30-L136 HydrophobicContact CD1-CD1 4.35Å; L30-L136 HydrophobicContact CD2-CD1 4.32Å; L30-L136 HydrophobicContact CD2-CD2 4.35Å; L30-L136 HydrophobicContact CG-CD1 4.46Å
31Y93.8Very high92.9Very high96 Ų9657.1 Ų57.138%0.37629%0.286SS..EExtended strand (participates in β ladder)trans-127.4133.7175.1177-100.4000109.7R33 I133 I134 D135 L136Y31-R33 HydrophobicContact CE1-CB 3.95Å; Y31-R33 PolarHBondContact OH-NE 3.3Å; Y31-I133 HydrophobicContact CG-CG2 4.41Å; Y31-I134 PolarHBondContact N-O 3.45Å; Y31-D135 HydrophobicContact CD1-CB 4.45Å; Y31-L136 WeakPolarHBondContact O-CB 3.18Å; Y31-L136 PolarHBondContact O-N 3.41Å
32C93.4Very high93Very high4 Ų451.4 Ų51.43%0.02726%0.259CS..  trans-142.6109.6176177.30000109.5N35 P36 L39 C108 L136C32-N35 PolarHBondContact SG-N 2.82Å; C32-N35 PolarHBondContact SG-O 2.9Å; C32-P36 WeakPolarHBondContact O-CA 3.35Å; C32-P36 WeakPolarHBondContact O-CG 3.17Å; C32-L39 HydrophobicContact CB-CD2 3.85Å; C32-L39 HydrophobicContact CB-CG 4.28Å; C32-C108 HydrophobicContact CB-CB 3.91Å; C32-C108 WeakPolarHBondContact CB-SG 3.44Å; C32-C108 WeakPolarHBondContact SG-CA 3.48Å; C32-C108 WeakPolarHBondContact SG-CB 3.19Å; C32-C108 CovalentContact SG-SG 2.02Å; C32-C108 PolarHBondContact SG-SG 3.37Å; C32-L136 HydrophobicContact CB-CB 4.47Å
33R94.2Very high92.9Very high166 Ų16649.2 Ų49.263%0.62625%0.25SS*.SBendtrans-77.6-40.7179.6-166.6-174.6-52.5161.913.7111.8Y31 D137Y31-R33 HydrophobicContact CE1-CB 3.95Å; Y31-R33 PolarHBondContact OH-NE 3.3Å; R33-D137 WeakPolarHBondContact CA-OD2 3.34Å; R33-D137 WeakPolarHBondContact CB-OD2 3.43Å; R33-D137 PolarHBondContact N-OD1 2.91Å; R33-D137 PolarHBondContact N-OD2 3.17Å
34R93.3Very high92.8Very high182 Ų18248 Ų4869%0.68724%0.242SC*.SBendtrans-64.9-41.3-177.4-75.6168.4-172.2-99.63.4112.8D137R34-D137 WeakPolarHBondContact CB-OD1 3.22Å; R34-D137 WeakPolarHBondContact CD-OD1 3.21Å; R34-D137 WeakPolarHBondContact CG-OD1 3.37Å; R34-D137 PolarHBondContact N-OD1 2.87Å; R34-D137 IonicContact NE-OD1 3.89Å
35N91.9Very high92.8Very high65 Ų6550.7 Ų50.735%0.34825%0.252SS..  trans-147.181.6-176.9-177.411.3000111.1C32 A37 A38C32-N35 PolarHBondContact SG-N 2.82Å; C32-N35 PolarHBondContact SG-O 2.9Å; N35-A37 PolarHBondContact O-N 2.85Å; N35-A37 VanDerWaalsContact O-N 3.1Å; N35-A37 PolarHBondContact OD1-N 3.39Å; N35-A38 HydrophobicContact CB-CB 4.19Å; N35-A38 WeakPolarHBondContact O-CB 3.34Å; N35-A38 PolarHBondContact O-N 2.83Å
36P91.2Very high92.8Very high84 Ų8449.9 Ų49.955%0.54525%0.249SC..G310 helixtrans-56.2-29.5-179.7-26.434.4000113.9C32 A38 L39C32-P36 WeakPolarHBondContact O-CA 3.35Å; C32-P36 WeakPolarHBondContact O-CG 3.17Å; P36-A38 PolarHBondContact O-N 3.15Å; P36-L39 WeakPolarHBondContact O-CB 3.29Å; P36-L39 VanDerWaalsContact O-CG 3.29Å; P36-L39 WeakPolarHBondContact O-CG 3.42Å; P36-L39 PolarHBondContact O-N 2.79Å
37A89.9Confident92.8Very high65 Ų6551.4 Ų51.454%0.53725%0.254SS..G310 helixtrans-66.4-23.2177.100000113N35 L39 T40N35-A37 PolarHBondContact O-N 2.85Å; N35-A37 VanDerWaalsContact O-N 3.1Å; N35-A37 PolarHBondContact OD1-N 3.39Å; A37-L39 PolarHBondContact O-N 3.19Å; A37-T40 PolarHBondContact O-N 3.21Å; A37-T40 PolarHBondContact O-OG1 3.19Å
38A89.2Confident92.9Very high4 Ų449.4 Ų49.43%0.03324%0.242CC..G310 helixtrans-60.7-25.3177.300000112.9N35 P36 T40 T41 A42 S107N35-A38 HydrophobicContact CB-CB 4.19Å; N35-A38 WeakPolarHBondContact O-CB 3.34Å; N35-A38 PolarHBondContact O-N 2.83Å; P36-A38 PolarHBondContact O-N 3.15Å; A38-T40 PolarHBondContact O-N 3.02Å; A38-T41 PolarHBondContact O-N 2.78Å; A38-T41 PolarHBondContact O-OG1 2.79Å; A38-A42 PolarHBondContact O-N 2.84Å; A38-S107 WeakPolarHBondContact CB-OG 3.21Å
39L89.9Confident92.8Very high16 Ų1651.4 Ų51.48%0.08425%0.247CC..G310 helixtrans-58.2-33.4178.5-61.1-178.4000112L30 C32 P36 A37 T41 A42 L72 L136L30-L39 HydrophobicContact CB-CD2 3.68Å; C32-L39 HydrophobicContact CB-CD2 3.85Å; C32-L39 HydrophobicContact CB-CG 4.28Å; P36-L39 WeakPolarHBondContact O-CB 3.29Å; P36-L39 VanDerWaalsContact O-CG 3.29Å; P36-L39 WeakPolarHBondContact O-CG 3.42Å; P36-L39 PolarHBondContact O-N 2.79Å; A37-L39 PolarHBondContact O-N 3.19Å; L39-T41 PolarHBondContact O-N 2.88Å; L39-A42 WeakPolarHBondContact O-CB 3.36Å; L39-A42 PolarHBondContact O-N 2.92Å; L39-L72 WeakPolarHBondContact O-CD1 3.41Å; L39-L136 HydrophobicContact CD2-CD1 3.97Å
40T86.3Confident92.6Very high72 Ų7248.5 Ų48.544%0.44224%0.235SC..G310 helixtrans-65.8-20.7179.363.90000113.4A37 A38A37-T40 PolarHBondContact O-N 3.21Å; A37-T40 PolarHBondContact O-OG1 3.19Å; A38-T40 PolarHBondContact O-N 3.02Å
41T87.9Confident92.1Very high68 Ų6849 Ų4942%0.41724%0.24SC..G310 helixtrans-106.90179.662.90000113.4A38 L39 S107A38-T41 PolarHBondContact O-N 2.78Å; A38-T41 PolarHBondContact O-OG1 2.79Å; L39-T41 PolarHBondContact O-N 2.88Å; T41-S107 PolarHBondContact OG1-OG 2.85Å
42A91.4Very high91.6Very high0 Ų052.7 Ų52.70%025%0.253CS..  trans-69.6144.4-178.500000111L30 A38 L39 R105 H106L30-A42 HydrophobicContact CD1-CB 3.57Å; A38-A42 PolarHBondContact O-N 2.84Å; L39-A42 WeakPolarHBondContact O-CB 3.36Å; L39-A42 PolarHBondContact O-N 2.92Å; A42-R105 CarbonylContact C-O 3.48Å; A42-R105 VanDerWaalsContact CA-O 3.31Å; A42-R105 WeakPolarHBondContact CA-O 3.17Å; A42-H106 HydrophobicContact CB-CB 4.22Å
43E93.6Very high91.2Very high37 Ų3755.4 Ų55.417%0.17328%0.281CS..EExtended strand (participates in β ladder)trans-122.1123.9178.8-168.8-179.1162.300108.5R45 L66 I104 R105E43-R45 VanDerWaalsContact CD-NE 3.34Å; E43-R45 HydrophobicContact CG-CG 4.26Å; E43-R45 IonicContact OE1-CZ 3.15Å; E43-R45 IonicContact OE1-NE 3.08Å; E43-R45 PolarHBondContact OE1-NE 2.81Å; E43-R45 IonicContact OE1-NH2 3.84Å; E43-R45 PolarHBondContact OE1-NH2 2.85Å; E43-R45 IonicContact OE2-CZ 2.83Å; E43-R45 IonicContact OE2-NE 3.09Å; E43-R45 IonicContact OE2-NH2 2.74Å; E43-R45 PolarHBondContact OE2-NH2 2.94Å; E43-R45 VanDerWaalsContact OE2-NH2 3.08Å; E43-L66 HydrophobicContact CG-CD1 3.38Å; E43-L66 WeakPolarHBondContact OE1-CD1 3.23Å; E43-I104 CarbonylContact O-C 3.54Å; E43-I104 VanDerWaalsContact O-CA 3.29Å; E43-I104 WeakPolarHBondContact O-CA 3.36Å; E43-R105 HydrophobicContact CB-CB 4.26Å; E43-R105 PolarHBondContact N-O 2.94Å; E43-R105 PolarHBondContact O-N 3.43Å
44V95Very high90.9Very high0 Ų054.9 Ų54.90%029%0.29CS..EExtended strand (participates in β ladder)trans-108.4118.1176.4-173.80000107.9L30 V67 F79 I81 V102 I104L30-V44 HydrophobicContact CD1-CG2 4.06Å; V44-V67 HydrophobicContact CB-CB 4.36Å; V44-V67 PolarHBondContact N-O 3.08Å; V44-V67 PolarHBondContact O-N 3.04Å; V44-F79 HydrophobicContact CB-CD2 4.45Å; V44-F79 HydrophobicContact CG1-CD2 3.98Å; V44-F79 HydrophobicContact CG1-CE2 3.71Å; V44-F79 HydrophobicContact CG1-CZ 4.06Å; V44-F79 HydrophobicContact CG2-CD1 4.09Å; V44-F79 HydrophobicContact CG2-CD2 4.35Å; V44-F79 HydrophobicContact CG2-CE1 4.26Å; V44-F79 HydrophobicContact CG2-CG 4.12Å; V44-F79 HydrophobicContact CG2-CZ 4.47Å; V44-I81 HydrophobicContact CG1-CD1 4.18Å; V44-I81 WeakPolarHBondContact O-CD1 3.38Å; V44-V102 HydrophobicContact CG1-CG1 3.71Å; V44-I104 HydrophobicContact CG1-CG1 4.35Å; V44-I104 HydrophobicContact CG2-CG1 4.36Å
45R96.3Very high90.5Very high57 Ų5751.5 Ų51.522%0.21529%0.285CS..EExtended strand (participates in β ladder)trans-112.7141177.8-62-178.4-179.8162.11109.7E43 Y47 L63 G65 L66 V102 Q103E43-R45 VanDerWaalsContact CD-NE 3.34Å; E43-R45 HydrophobicContact CG-CG 4.26Å; E43-R45 IonicContact OE1-CZ 3.15Å; E43-R45 IonicContact OE1-NE 3.08Å; E43-R45 PolarHBondContact OE1-NE 2.81Å; E43-R45 IonicContact OE1-NH2 3.84Å; E43-R45 PolarHBondContact OE1-NH2 2.85Å; E43-R45 IonicContact OE2-CZ 2.83Å; E43-R45 IonicContact OE2-NE 3.09Å; E43-R45 IonicContact OE2-NH2 2.74Å; E43-R45 PolarHBondContact OE2-NH2 2.94Å; E43-R45 VanDerWaalsContact OE2-NH2 3.08Å; R45-Y47 HydrophobicContact CB-CD2 3.81Å; R45-Y47 HydrophobicContact CB-CE2 3.39Å; R45-Y47 VanDerWaalsContact CD-CE2 3.44Å; R45-Y47 WeakPolarHBondContact CD-OH 3.47Å; R45-Y47 HydrophobicContact CG-CE2 4.07Å; R45-Y47 PolarHBondContact NH1-OH 2.9Å; R45-L63 HydrophobicContact CB-CD1 3.94Å; R45-L63 HydrophobicContact CG-CD1 4.16Å; R45-G65 WeakPolarHBondContact CA-O 3.31Å; R45-L66 HydrophobicContact CG-CD1 3.77Å; R45-V102 CarbonylContact O-C 3.6Å; R45-V102 VanDerWaalsContact O-CA 3.29Å; R45-V102 WeakPolarHBondContact O-CA 3.29Å; R45-Q103 HydrophobicContact CB-CB 4.36Å; R45-Q103 PolarHBondContact N-O 3.03Å; R45-Q103 PolarHBondContact O-N 2.71Å
46L97.6Very high90.3Very high0 Ų052.3 Ų52.30%029%0.287CS..EExtended strand (participates in β ladder)trans-108.3123.5167.5176.473.1000106.5V24 M64 G65 I81 P100 V102V24-L46 HydrophobicContact CB-CD1 4.35Å; V24-L46 HydrophobicContact CB-CD2 3.73Å; V24-L46 HydrophobicContact CG1-CD1 4.09Å; V24-L46 HydrophobicContact CG1-CD2 4.08Å; L46-M64 HydrophobicContact CB-CB 4.43Å; L46-M64 HydrophobicContact CD1-SD 4.47Å; L46-M64 HydrophobicContact CD2-CB 3.84Å; L46-M64 HydrophobicContact CD2-CE 4.2Å; L46-M64 HydrophobicContact CD2-SD 4.08Å; L46-M64 HydrophobicContact CG-CB 3.92Å; L46-M64 HydrophobicContact CG-SD 3.89Å; L46-M64 PolarHBondContact O-N 2.85Å; L46-G65 PolarHBondContact N-O 2.72Å; L46-G65 PolarHBondContact O-N 2.82Å; L46-G65 VanDerWaalsContact O-N 3.08Å; L46-I81 HydrophobicContact CB-CD1 3.6Å; L46-I81 HydrophobicContact CB-CG1 4Å; L46-P100 HydrophobicContact CD1-CB 4.22Å; L46-V102 HydrophobicContact CD1-CG2 4.01Å
47Y97.2Very high90.1Very high33 Ų3353.9 Ų53.913%0.12930%0.295CS..EExtended strand (participates in β ladder)trans-118.1150.5179.6-77.8-81.2000110.2R45 D61 D62 L63 P100 Y101 Q103R45-Y47 HydrophobicContact CB-CD2 3.81Å; R45-Y47 HydrophobicContact CB-CE2 3.39Å; R45-Y47 VanDerWaalsContact CD-CE2 3.44Å; R45-Y47 WeakPolarHBondContact CD-OH 3.47Å; R45-Y47 HydrophobicContact CG-CE2 4.07Å; R45-Y47 PolarHBondContact NH1-OH 2.9Å; Y47-D61 HydrophobicContact CD1-CB 4.37Å; Y47-D62 CarbonylContact C-O 3.54Å; Y47-D62 VanDerWaalsContact CA-O 3.28Å; Y47-D62 WeakPolarHBondContact CA-O 3.32Å; Y47-D62 WeakPolarHBondContact CD1-O 3.14Å; Y47-L63 HydrophobicContact CD1-CB 4.28Å; Y47-L63 HydrophobicContact CD1-CD1 4.2Å; Y47-L63 HydrophobicContact CE1-CB 3.97Å; Y47-L63 HydrophobicContact CE1-CD1 3.79Å; Y47-L63 HydrophobicContact CE2-CD1 4.2Å; Y47-P100 CarbonylContact O-C 3.53Å; Y47-P100 WeakPolarHBondContact O-CA 3.11Å; Y47-Y101 WeakPolarHBondContact CB-OH 3.35Å; Y47-Y101 AromaticContact CD2-CE2 3.99Å; Y47-Y101 HydrophobicContact CD2-CE2 3.99Å; Y47-Y101 AromaticContact CD2-CZ 3.86Å; Y47-Y101 HydrophobicContact CG-CE1 4.11Å; Y47-Y101 HydrophobicContact CG-CE2 4.3Å; Y47-Y101 AromaticContact CG-CZ 3.72Å; Y47-Y101 PolarHBondContact N-O 3.47Å; Y47-Y101 PolarHBondContact O-N 3.25Å; Y47-Q103 HydrophobicContact CD2-CB 3.99Å; Y47-Q103 HydrophobicContact CE2-CB 4.01Å
48D95.5Very high89.9Confident1 Ų159 Ų591%0.00531%0.305CS..EExtended strand (participates in β ladder)trans-85.5138.3157.1-159.3-10000108.2D61 D62 M64 P98 D99D48-D61 CarbonylContact O-C 3.48Å; D48-D61 WeakPolarHBondContact O-CA 3.33Å; D48-D61 VanDerWaalsContact O-CB 3.23Å; D48-D61 WeakPolarHBondContact O-CB 3.13Å; D48-D62 HydrophobicContact CB-CB 4.31Å; D48-D62 PolarHBondContact N-O 2.83Å; D48-D62 PolarHBondContact O-N 2.85Å; D48-M64 HydrophobicContact CB-CG 3.98Å; D48-M64 HydrophobicContact CB-SD 4.02Å; D48-M64 PolarHBondContact N-SD 3.11Å; D48-P98 VanDerWaalsContact OD1-C 3.3Å; D48-P98 WeakPolarHBondContact OD1-CA 3.16Å; D48-P98 WeakPolarHBondContact OD1-CB 3.47Å; D48-P98 WeakPolarHBondContact OD2-CA 3.24Å; D48-P98 WeakPolarHBondContact OD2-CB 3.02Å; D48-P98 WeakPolarHBondContact OD2-CG 3.32Å; D48-D99 PolarHBondContact OD1-N 3.22Å
49R93.7Very high89.8Confident52 Ų5261.3 Ų61.320%0.19632%0.317CS..  trans-98.6124.1175.9169.5-175.9-52.9-62.2-2.2108.9D61 D99 Y101 H119R49-D61 IonicContact NH1-OD2 2.65Å; R49-D61 PolarHBondContact NH1-OD2 3.38Å; R49-D99 HydrophobicContact CB-CB 3.93Å; R49-D99 VanDerWaalsContact CB-O 3.28Å; R49-D99 WeakPolarHBondContact CB-O 3.26Å; R49-D99 WeakPolarHBondContact CD-OD2 3.5Å; R49-D99 PolarHBondContact N-O 2.76Å; R49-Y101 HydrophobicContact CB-CD1 3.93Å; R49-Y101 HydrophobicContact CB-CE1 4Å; R49-H119 PolarHBondContact NH2-CE1 3.49Å; R49-H119 PolarHBondContact NH2-ND1 2.74Å
50D89.3Confident89.8Confident16 Ų1663.9 Ų63.99%0.08634%0.335CS..  trans-107.3-139.6-179.1-63.7-57.5000110.9R52 D59 P60 D61 D62D50-R52 PolarHBondContact O-N 3.17Å; D50-D59 HydrophobicContact CB-CB 4.3Å; D50-D59 WeakPolarHBondContact CB-O 3.34Å; D50-P60 VanDerWaalsContact OD2-O 3.04Å; D50-D61 PolarHBondContact N-OD1 2.9Å; D50-D61 WeakPolarHBondContact OD2-CA 3.48Å; D50-D62 PolarHBondContact OD2-N 3.37Å
51G82.6Confident90.1Very high10 Ų1061.7 Ų61.710%0.10332%0.32CS..  trans-49.2138.1-176.300000113.9Q56 D59G51-Q56 WeakPolarHBondContact O-CA 3.19Å; G51-Q56 WeakPolarHBondContact O-CB 3.21Å; G51-Q56 WeakPolarHBondContact O-CG 3.34Å; G51-Q56 PolarHBondContact O-N 3.08Å; G51-D59 PolarHBondContact N-O 2.84Å
52R83.5Confident90.3Very high175 Ų17562.7 Ų62.766%0.6632%0.323SS*.  trans-97.3141.8176.2-64.1-177.1-177.8170.81.1112.1D50 L54 L55 D99D50-R52 PolarHBondContact O-N 3.17Å; R52-L54 PolarHBondContact O-N 3.25Å; R52-L55 PolarHBondContact O-N 3.48Å; R52-D99 IonicContact NH2-OD2 2.73Å; R52-D99 PolarHBondContact NH2-OD2 3.48Å
53G86.4Confident90.5Very high60 Ų6067.1 Ų67.162%0.61935%0.346SS*.G310 helixtrans64.4-126.5176.500000111.8L55 Q56G53-L55 PolarHBondContact O-N 3.13Å; G53-Q56 WeakPolarHBondContact O-CB 3.31Å; G53-Q56 PolarHBondContact O-N 2.73Å; G53-Q56 VanDerWaalsContact O-N 3.17Å
54L87.9Confident90.6Very high155 Ų15566.3 Ų66.381%0.81234%0.343SS*.G310 helixtrans-65.8-21178.8-66.1177000113.3R52 Q56 V57R52-L54 PolarHBondContact O-N 3.25Å; L54-Q56 VanDerWaalsContact C-N 3.27Å; L54-Q56 PolarHBondContact O-N 2.63Å; L54-V57 PolarHBondContact O-N 3.24Å
55L84.3Confident90.6Very high112 Ų11266.7 Ų66.759%0.58635%0.347SS*.G310 helixtrans-71.6-23.7176.6-63.1177.9000112.1R52 G53 V57 F58 D59R52-L55 PolarHBondContact O-N 3.48Å; G53-L55 PolarHBondContact O-N 3.13Å; L55-V57 PolarHBondContact O-N 3Å; L55-V57 VanDerWaalsContact O-N 3.13Å; L55-F58 PolarHBondContact O-N 3.34Å; L55-D59 PolarHBondContact O-N 3.28Å
56Q87.4Confident90.5Very high82 Ų8268.3 Ų68.338%0.38336%0.359SS..G310 helixtrans-62.9-21.7177.8-156.2173.433.800113G51 G53 L54 F58 D59 P60 D61G51-Q56 WeakPolarHBondContact O-CA 3.19Å; G51-Q56 WeakPolarHBondContact O-CB 3.21Å; G51-Q56 WeakPolarHBondContact O-CG 3.34Å; G51-Q56 PolarHBondContact O-N 3.08Å; G53-Q56 WeakPolarHBondContact O-CB 3.31Å; G53-Q56 PolarHBondContact O-N 2.73Å; G53-Q56 VanDerWaalsContact O-N 3.17Å; L54-Q56 VanDerWaalsContact C-N 3.27Å; L54-Q56 PolarHBondContact O-N 2.63Å; Q56-F58 VanDerWaalsContact C-N 3.28Å; Q56-D59 WeakPolarHBondContact CA-O 3.06Å; Q56-D59 CarbonylContact O-C 3.57Å; Q56-P60 WeakPolarHBondContact O-CA 3.42Å; Q56-P60 WeakPolarHBondContact O-CB 3.49Å; Q56-D61 VanDerWaalsContact NE2-CG 3.31Å; Q56-D61 PolarHBondContact NE2-OD1 3.48Å; Q56-D61 PolarHBondContact NE2-OD2 3.35Å
57V87.2Confident90Very high117 Ų11768.8 Ų68.871%0.70936%0.362SS*.G310 helixtrans-70.1-30.1175178.50000111.4L54 L55L54-V57 PolarHBondContact O-N 3.24Å; L55-V57 PolarHBondContact O-N 3Å; L55-V57 VanDerWaalsContact O-N 3.13Å
58F86Confident89.2Confident172 Ų17267.8 Ų67.875%0.75436%0.362SS*.THydrogen-bonded Turntrans-94.6-25.9-180-60.6-71.6000112.4L55 Q56L55-F58 PolarHBondContact O-N 3.34Å; Q56-F58 VanDerWaalsContact C-N 3.28Å
59D86Confident87.6Confident52 Ų5272.6 Ų72.628%0.27839%0.387SS..SBendtrans-142.577.3-172.5-160.731.8000108.5D50 G51 L55 Q56D50-D59 HydrophobicContact CB-CB 4.3Å; D50-D59 WeakPolarHBondContact CB-O 3.34Å; G51-D59 PolarHBondContact N-O 2.84Å; L55-D59 PolarHBondContact O-N 3.28Å; Q56-D59 WeakPolarHBondContact CA-O 3.06Å; Q56-D59 CarbonylContact O-C 3.57Å
60P90Very high86Confident71 Ų7181 Ų8146%0.46142%0.42SS..  trans-81.9146-175.632.6-33.7000112D50 Q56 D62D50-P60 VanDerWaalsContact OD2-O 3.04Å; Q56-P60 WeakPolarHBondContact O-CA 3.42Å; Q56-P60 WeakPolarHBondContact O-CB 3.49Å; P60-D62 PolarHBondContact O-N 3.19Å; P60-D62 VanDerWaalsContact O-N 3.16Å
61D93.6Very high84.7Confident25 Ų2583.3 Ų83.313%0.13444%0.437CS..  trans-47.7115.5177.3-6116.3000112.8Y47 D48 R49 D50 Q56 Y101Y47-D61 HydrophobicContact CD1-CB 4.37Å; D48-D61 CarbonylContact O-C 3.48Å; D48-D61 WeakPolarHBondContact O-CA 3.33Å; D48-D61 VanDerWaalsContact O-CB 3.23Å; D48-D61 WeakPolarHBondContact O-CB 3.13Å; R49-D61 IonicContact NH1-OD2 2.65Å; R49-D61 PolarHBondContact NH1-OD2 3.38Å; D50-D61 PolarHBondContact N-OD1 2.9Å; D50-D61 WeakPolarHBondContact OD2-CA 3.48Å; Q56-D61 VanDerWaalsContact NE2-CG 3.31Å; Q56-D61 PolarHBondContact NE2-OD1 3.48Å; Q56-D61 PolarHBondContact NE2-OD2 3.35Å; D61-Y101 HydrophobicContact CB-CE1 4.21Å; D61-Y101 WeakPolarHBondContact OD2-CE1 3.42Å; D61-Y101 PolarHBondContact OD2-OH 2.95Å
62D92.7Very high83.8Confident90 Ų9084.1 Ų84.148%0.48144%0.439SS..  trans-84.1137.9-176.9-83.6-29.2000113.9Y47 D48 D50 P60 M64Y47-D62 CarbonylContact C-O 3.54Å; Y47-D62 VanDerWaalsContact CA-O 3.28Å; Y47-D62 WeakPolarHBondContact CA-O 3.32Å; Y47-D62 WeakPolarHBondContact CD1-O 3.14Å; D48-D62 HydrophobicContact CB-CB 4.31Å; D48-D62 PolarHBondContact N-O 2.83Å; D48-D62 PolarHBondContact O-N 2.85Å; D50-D62 PolarHBondContact OD2-N 3.37Å; P60-D62 PolarHBondContact O-N 3.19Å; P60-D62 VanDerWaalsContact O-N 3.16Å; D62-M64 PolarHBondContact O-N 2.79Å
63L95.5Very high82.3Confident93 Ų9380.4 Ų80.449%0.48744%0.438SS..EExtended strand (participates in β ladder)trans-77.6112.1178.9-175.873.3000111R45 Y47 G65 L66R45-L63 HydrophobicContact CB-CD1 3.94Å; R45-L63 HydrophobicContact CG-CD1 4.16Å; Y47-L63 HydrophobicContact CD1-CB 4.28Å; Y47-L63 HydrophobicContact CD1-CD1 4.2Å; Y47-L63 HydrophobicContact CE1-CB 3.97Å; Y47-L63 HydrophobicContact CE1-CD1 3.79Å; Y47-L63 HydrophobicContact CE2-CD1 4.2Å; L63-G65 WeakPolarHBondContact CD1-O 3.18Å; L63-L66 HydrophobicContact CD2-CB 4.47Å
64M95.7Very high81.1Confident19 Ų1979.3 Ų79.39%0.09442%0.423CS..EExtended strand (participates in β ladder)trans-85.9-33.6176.4-57.916977.400112.7V24 L46 D48 D62 G83 C84 G85 P98 P100V24-M64 HydrophobicContact CG2-CE 4.19Å; L46-M64 HydrophobicContact CB-CB 4.43Å; L46-M64 HydrophobicContact CD1-SD 4.47Å; L46-M64 HydrophobicContact CD2-CB 3.84Å; L46-M64 HydrophobicContact CD2-CE 4.2Å; L46-M64 HydrophobicContact CD2-SD 4.08Å; L46-M64 HydrophobicContact CG-CB 3.92Å; L46-M64 HydrophobicContact CG-SD 3.89Å; L46-M64 PolarHBondContact O-N 2.85Å; D48-M64 HydrophobicContact CB-CG 3.98Å; D48-M64 HydrophobicContact CB-SD 4.02Å; D48-M64 PolarHBondContact N-SD 3.11Å; D62-M64 PolarHBondContact O-N 2.79Å; M64-G83 WeakPolarHBondContact O-CA 3.34Å; M64-C84 WeakPolarHBondContact CB-O 3.06Å; M64-G85 VanDerWaalsContact CE-N 3.3Å; M64-P98 HydrophobicContact CE-CB 4.48Å; M64-P100 HydrophobicContact SD-CB 4.15Å
65G94.8Very high80.2Confident9 Ų979.6 Ų79.69%0.09343%0.425CS..EExtended strand (participates in β ladder)trans-164.6155.7-174.400000113.6R45 L46 L63R45-G65 WeakPolarHBondContact CA-O 3.31Å; L46-G65 PolarHBondContact N-O 2.72Å; L46-G65 PolarHBondContact O-N 2.82Å; L46-G65 VanDerWaalsContact O-N 3.08Å; L63-G65 WeakPolarHBondContact CD1-O 3.18Å
66L93.6Very high80.2Confident90 Ų9077.5 Ų77.547%0.47141%0.414SS..EExtended strand (participates in β ladder)trans-144.7130-176.617164.5000111E43 R45 L63E43-L66 HydrophobicContact CG-CD1 3.38Å; E43-L66 WeakPolarHBondContact OE1-CD1 3.23Å; R45-L66 HydrophobicContact CG-CD1 3.77Å; L63-L66 HydrophobicContact CD2-CB 4.47Å
67V87.6Confident80.3Confident11 Ų1173.6 Ų73.67%0.06740%0.397CS..EExtended strand (participates in β ladder)trans-120.5126.4164.5-177.60000107.2V44 S71 L72 F79 K80 I81V44-V67 HydrophobicContact CB-CB 4.36Å; V44-V67 PolarHBondContact N-O 3.08Å; V44-V67 PolarHBondContact O-N 3.04Å; V67-S71 WeakPolarHBondContact CA-OG 3.5Å; V67-S71 WeakPolarHBondContact CG1-OG 3.42Å; V67-L72 HydrophobicContact CG1-CD2 3.81Å; V67-L72 HydrophobicContact CG1-CG 4.29Å; V67-F79 HydrophobicContact CG1-CB 4.33Å; V67-K80 VanDerWaalsContact CG2-O 3.26Å; V67-K80 WeakPolarHBondContact CG2-O 3.29Å; V67-I81 HydrophobicContact CG2-CB 3.87Å; V67-I81 HydrophobicContact CG2-CD1 4.24Å; V67-I81 HydrophobicContact CG2-CG1 4.05Å
68G79.2Confident80.5Confident12 Ų1270.4 Ų70.412%0.12438%0.377CS..  trans-135.4-164.1-175.500000112.8Y70 S71 L72G68-Y70 PolarHBondContact O-N 2.9Å; G68-S71 PolarHBondContact N-OG 3.44Å; G68-S71 PolarHBondContact O-N 2.91Å; G68-S71 PolarHBondContact O-OG 3.14Å; G68-L72 PolarHBondContact O-N 2.88Å
69I63.1Low80.8Confident102 Ų10262.3 Ų62.352%0.52334%0.342SS..THydrogen-bonded Turntrans-44.2-41-174-56.9-174.9000113.3
70Y58.7Low81.2Confident229 Ų22965 Ų6590%0.89835%0.351SS*.THydrogen-bonded Turntrans-92.6-3.4-175.8-58.5-66.3000114.6G68G68-Y70 PolarHBondContact O-N 2.9Å
71S62.4Low81.4Confident63 Ų6361.8 Ų61.844%0.44133%0.33SS..THydrogen-bonded Turntrans-127.72.1-171.459.10000115.3V67 G68 P73V67-S71 WeakPolarHBondContact CA-OG 3.5Å; V67-S71 WeakPolarHBondContact CG1-OG 3.42Å; G68-S71 PolarHBondContact N-OG 3.44Å; G68-S71 PolarHBondContact O-N 2.91Å; G68-S71 PolarHBondContact O-OG 3.14Å; S71-P73 WeakPolarHBondContact O-CD 3.47Å
72L63.7Low81.5Confident27 Ų2765 Ų6514%0.14134%0.344CS..  trans-65.6113.3162.9-71.8175.9000108.2L39 V67 G68 A74 F79L39-L72 WeakPolarHBondContact O-CD1 3.41Å; V67-L72 HydrophobicContact CG1-CD2 3.81Å; V67-L72 HydrophobicContact CG1-CG 4.29Å; G68-L72 PolarHBondContact O-N 2.88Å; L72-A74 PolarHBondContact O-N 2.85Å; L72-A74 VanDerWaalsContact O-N 3.08Å; L72-F79 HydrophobicContact CD2-CB 3.61Å
73P53.2Low81.7Confident98 Ų9861 Ų6164%0.63632%0.323SS*.SBendtrans-64.7-15.2-172.323.2-34.5000114S71 T78S71-P73 WeakPolarHBondContact O-CD 3.47Å; P73-T78 VanDerWaalsContact CD-O 3.24Å; P73-T78 WeakPolarHBondContact CD-O 3.24Å; P73-T78 WeakPolarHBondContact CG-O 3.35Å
74A59.6Low81.7Confident37 Ų3758.6 Ų58.631%0.30631%0.314SS..SBendtrans-145.1142-17700000111.5L72 D76 G77L72-A74 PolarHBondContact O-N 2.85Å; L72-A74 VanDerWaalsContact O-N 3.08Å; A74-D76 HydrophobicContact CB-CB 4.27Å; A74-D76 WeakPolarHBondContact CB-OD1 3.42Å; A74-D76 PolarHBondContact O-N 2.94Å; A74-G77 PolarHBondContact O-N 2.96Å
75D69.8Low81.5Confident161 Ų16157.9 Ų57.986%0.86131%0.312SS*.THydrogen-bonded Turntrans-57.9-3.6167.4-61-29.3000112.7
76D84.1Confident81.2Confident67 Ų6762 Ų6236%0.35833%0.332SS..THydrogen-bonded Turntrans-91.8-0-179.392.6-29.1000114.2K29 A74 T78K29-D76 WeakPolarHBondContact CE-O 3.49Å; K29-D76 IonicContact NZ-OD2 3.44Å; K29-D76 PolarHBondContact NZ-OD2 3.16Å; A74-D76 HydrophobicContact CB-CB 4.27Å; A74-D76 WeakPolarHBondContact CB-OD1 3.42Å; A74-D76 PolarHBondContact O-N 2.94Å; D76-T78 VanDerWaalsContact CG-OG1 3.27Å; D76-T78 WeakPolarHBondContact OD1-CB 3.28Å; D76-T78 PolarHBondContact OD1-N 3.21Å; D76-T78 PolarHBondContact OD1-OG1 2.94Å; D76-T78 PolarHBondContact OD2-OG1 3.28Å; D76-T78 VanDerWaalsContact OD2-OG1 3.11Å
77G89.3Confident80.8Confident1 Ų158.2 Ų58.21%0.0131%0.312CS..  trans82.95.4177.500000115.4L30 A74L30-G77 PolarHBondContact N-O 3.06Å; A74-G77 PolarHBondContact O-N 2.96Å
78T92.4Very high80.5Confident50 Ų5059.2 Ų59.231%0.30732%0.321SS..EExtended strand (participates in β ladder)trans-70.1139.1174.6-55.60000110.9G28 P73 D76G28-T78 WeakPolarHBondContact O-CA 3.36Å; P73-T78 VanDerWaalsContact CD-O 3.24Å; P73-T78 WeakPolarHBondContact CD-O 3.24Å; P73-T78 WeakPolarHBondContact CG-O 3.35Å; D76-T78 VanDerWaalsContact CG-OG1 3.27Å; D76-T78 WeakPolarHBondContact OD1-CB 3.28Å; D76-T78 PolarHBondContact OD1-N 3.21Å; D76-T78 PolarHBondContact OD1-OG1 2.94Å; D76-T78 PolarHBondContact OD2-OG1 3.28Å; D76-T78 VanDerWaalsContact OD2-OG1 3.11Å
79F92.4Very high80.5Confident2 Ų259.9 Ų59.91%0.00932%0.322CS..EExtended strand (participates in β ladder)trans-137.6156.2174.967.9-89.3000112.4T27 G28 L30 V44 V67 L72 I81 L131 I134T27-F79 WeakPolarHBondContact CA-O 3.45Å; G28-F79 PolarHBondContact N-O 2.81Å; G28-F79 VanDerWaalsContact N-O 3.14Å; G28-F79 WeakPolarHBondContact O-CD1 3.42Å; G28-F79 PolarHBondContact O-N 2.85Å; L30-F79 HydrophobicContact CD2-CD1 4.24Å; L30-F79 HydrophobicContact CD2-CE1 3.76Å; L30-F79 HydrophobicContact CG-CD1 4.02Å; L30-F79 HydrophobicContact CG-CE1 4.04Å; V44-F79 HydrophobicContact CB-CD2 4.45Å; V44-F79 HydrophobicContact CG1-CD2 3.98Å; V44-F79 HydrophobicContact CG1-CE2 3.71Å; V44-F79 HydrophobicContact CG1-CZ 4.06Å; V44-F79 HydrophobicContact CG2-CD1 4.09Å; V44-F79 HydrophobicContact CG2-CD2 4.35Å; V44-F79 HydrophobicContact CG2-CE1 4.26Å; V44-F79 HydrophobicContact CG2-CG 4.12Å; V44-F79 HydrophobicContact CG2-CZ 4.47Å; V67-F79 HydrophobicContact CG1-CB 4.33Å; L72-F79 HydrophobicContact CD2-CB 3.61Å; F79-I81 HydrophobicContact CD2-CB 4.5Å; F79-I81 HydrophobicContact CD2-CG2 4.34Å; F79-I81 HydrophobicContact CE2-CG2 4.21Å; F79-L131 HydrophobicContact CE2-CD1 4.06Å; F79-L131 HydrophobicContact CZ-CD1 3.8Å; F79-I134 HydrophobicContact CE1-CD1 3.84Å; F79-I134 HydrophobicContact CZ-CD1 3.79Å
80K93.7Very high80.9Confident109 Ų10964.2 Ų64.247%0.47433%0.332SS..EExtended strand (participates in β ladder)trans-129125.7165.6178-179.3-179-174.90107.6E25 A26 T27 V67E25-K80 WeakPolarHBondContact OE1-CE 3.42Å; E25-K80 IonicContact OE1-NZ 3.92Å; E25-K80 PolarHBondContact OE1-NZ 3.48Å; E25-K80 WeakPolarHBondContact OE2-CE 3.24Å; E25-K80 IonicContact OE2-NZ 3.25Å; E25-K80 PolarHBondContact OE2-NZ 3.2Å; A26-K80 WeakPolarHBondContact O-CA 3.26Å; T27-K80 HydrophobicContact CG2-CB 4.16Å; T27-K80 HydrophobicContact CG2-CG 4.05Å; V67-K80 VanDerWaalsContact CG2-O 3.26Å; V67-K80 WeakPolarHBondContact CG2-O 3.29Å
81I94.8Very high81.8Confident2 Ų257.3 Ų57.31%0.0131%0.313CS..EExtended strand (participates in β ladder)trans-119.7137.1176.4-169.4159.7000109.6E25 A26 V44 L46 V67 F79E25-I81 WeakPolarHBondContact CA-O 3.2Å; A26-I81 HydrophobicContact CB-CG2 3.84Å; A26-I81 PolarHBondContact N-O 3.08Å; A26-I81 PolarHBondContact O-N 2.92Å; V44-I81 HydrophobicContact CG1-CD1 4.18Å; V44-I81 WeakPolarHBondContact O-CD1 3.38Å; L46-I81 HydrophobicContact CB-CD1 3.6Å; L46-I81 HydrophobicContact CB-CG1 4Å; V67-I81 HydrophobicContact CG2-CB 3.87Å; V67-I81 HydrophobicContact CG2-CD1 4.24Å; V67-I81 HydrophobicContact CG2-CG1 4.05Å; F79-I81 HydrophobicContact CD2-CB 4.5Å; F79-I81 HydrophobicContact CD2-CG2 4.34Å; F79-I81 HydrophobicContact CE2-CG2 4.21Å
82H95.7Very high82.5Confident94 Ų9459.7 Ų59.744%0.43533%0.327SS..EExtended strand (participates in β ladder)trans-135.8135.3173.3173.7-82.1000108.3V24V24-H82 VanDerWaalsContact O-CA 3.27Å; V24-H82 WeakPolarHBondContact O-CA 3.44Å; V24-H82 PolarHBondContact O-CD2 2.71Å
83G96.1Very high83.1Confident4 Ų463.9 Ų63.94%0.04136%0.359CS..EExtended strand (participates in β ladder)trans-161.3158.7-179.400000111.3C23 V24 M64C23-G83 CarbonylContact C-O 3.52Å; C23-G83 WeakPolarHBondContact CA-O 3.41Å; C23-G83 WeakPolarHBondContact CB-O 3.32Å; V24-G83 PolarHBondContact N-O 2.71Å; V24-G83 PolarHBondContact O-N 2.99Å; V24-G83 VanDerWaalsContact O-N 3.16Å; M64-G83 WeakPolarHBondContact O-CA 3.34Å
84C95.6Very high84.3Confident43 Ų4363.3 Ų63.329%0.29135%0.353SS..EExtended strand (participates in β ladder)trans-124.9145.9176.5-50.50000109.8Q21 K22 C23 M64Q21-C84 HydrophobicContact CG-CB 4.31Å; K22-C84 CarbonylContact O-C 3.52Å; K22-C84 WeakPolarHBondContact O-CA 2.99Å; C23-C84 HydrophobicContact CB-CB 4.02Å; C23-C84 WeakPolarHBondContact CB-SG 3.28Å; C23-C84 WeakPolarHBondContact SG-CB 3.2Å; C23-C84 CovalentContact SG-SG 2.04Å; C23-C84 PolarHBondContact SG-SG 3.5Å; M64-C84 WeakPolarHBondContact CB-O 3.06Å
85G92.4Very high85.3Confident5 Ų565.6 Ų65.65%0.05237%0.365CS..EExtended strand (participates in β ladder)trans-120.9151.6173.500000109.1Q21 K22 M64 P98Q21-G85 WeakPolarHBondContact CA-O 3.49Å; K22-G85 PolarHBondContact N-O 2.85Å; K22-G85 PolarHBondContact O-N 2.9Å; M64-G85 VanDerWaalsContact CE-N 3.3Å; G85-P98 WeakPolarHBondContact O-CG 3.35Å
86D88Confident86Confident96 Ų9660.6 Ų60.651%0.51334%0.338SS..EExtended strand (participates in β ladder)trans-126.6105-176-77.5-45.1000109.5Q21Q21-D86 WeakPolarHBondContact CA-OD1 3.26Å; Q21-D86 WeakPolarHBondContact CB-OD1 3.45Å; Q21-D86 WeakPolarHBondContact CG-OD1 3.12Å
87D85.5Confident86.2Confident10 Ų1060.9 Ų60.95%0.05334%0.339CS..EExtended strand (participates in β ladder)trans-104133.9175.9-102.2-34000111.3C19 A20 N96 P98C19-D87 CarbonylContact C-O 3.56Å; C19-D87 VanDerWaalsContact CA-O 3.28Å; C19-D87 WeakPolarHBondContact CA-O 3.09Å; A20-D87 PolarHBondContact N-O 2.9Å; D87-N96 HydrophobicContact CB-CB 3.97Å; D87-N96 WeakPolarHBondContact CB-O 3.43Å; D87-N96 PolarHBondContact OD1-ND2 3.44Å; D87-N96 PolarHBondContact OD2-ND2 2.82Å; D87-P98 WeakPolarHBondContact OD2-CA 3.09Å; D87-P98 VanDerWaalsContact OD2-N 3.15Å
88A79.7Confident86.4Confident31 Ų3161 Ų6126%0.25634%0.34SS..EExtended strand (participates in β ladder)trans-83.1137.8172.200000110.8I17 W90 N96I17-A88 HydrophobicContact CG2-CB 3.84Å; A88-W90 PolarHBondContact O-N 3.49Å; A88-N96 VanDerWaalsContact O-CB 3.32Å; A88-N96 WeakPolarHBondContact O-CB 3.44Å
89D79.6Confident86.5Confident26 Ų2661.8 Ų61.814%0.13934%0.342CS..  trans-73.291.2172.6-70.4-11000109.9Q18 V91 P95 N96Q18-D89 HydrophobicContact CB-CB 4.45Å; Q18-D89 WeakPolarHBondContact O-CB 3.21Å; Q18-D89 PolarHBondContact O-N 2.89Å; D89-V91 VanDerWaalsContact C-N 3.27Å; D89-V91 PolarHBondContact O-N 2.65Å; D89-P95 VanDerWaalsContact OD1-CA 3.28Å; D89-P95 WeakPolarHBondContact OD1-CA 3.48Å; D89-N96 PolarHBondContact OD1-N 2.84Å
90W73.2Confident86.7Confident193 Ų19362.2 Ų62.273%0.73135%0.345SS*.SBendtrans-66.4-30177.9-65.977.4000112.7A88A88-W90 PolarHBondContact O-N 3.49Å
91V77.4Confident86.9Confident85 Ų8557.5 Ų57.552%0.51532%0.324SS..BIsolated β-bridgetrans-111120.7178.9178.50000108.6D89 S93 V94D89-V91 VanDerWaalsContact C-N 3.27Å; D89-V91 PolarHBondContact O-N 2.65Å; V91-S93 PolarHBondContact O-N 3.28Å; V91-V94 HydrophobicContact CB-CB 4.08Å; V91-V94 HydrophobicContact CB-CG2 4.27Å; V91-V94 HydrophobicContact CG1-CB 4.13Å; V91-V94 HydrophobicContact CG1-CG2 3.77Å; V91-V94 PolarHBondContact O-N 2.89Å
92P75.6Confident87Confident113 Ų11357.4 Ų57.473%0.73432%0.324SS*.THydrogen-bonded Turntrans-52.3130.5178.2-27.234.1000111.8V94P92-V94 PolarHBondContact O-N 2.89Å
93S76.7Confident87Confident114 Ų11454 Ų5480%0.79731%0.309SS*.THydrogen-bonded Turntrans68.65.1-179.9-43.40000116.7V91V91-S93 PolarHBondContact O-N 3.28Å
94V78.8Confident87Confident87 Ų8753.9 Ų53.953%0.52731%0.307SS..BIsolated β-bridgetrans-108.8105.6167.5-179.20000107.4V91 P92 N96V91-V94 HydrophobicContact CB-CB 4.08Å; V91-V94 HydrophobicContact CB-CG2 4.27Å; V91-V94 HydrophobicContact CG1-CB 4.13Å; V91-V94 HydrophobicContact CG1-CG2 3.77Å; V91-V94 PolarHBondContact O-N 2.89Å; P92-V94 PolarHBondContact O-N 2.89Å; V94-N96 PolarHBondContact O-N 3.16Å
95P80.5Confident87Confident85 Ų8558 Ų5855%0.55232%0.316SS*.  trans-59124.2175.7-23.333.8000110D89 L97D89-P95 VanDerWaalsContact OD1-CA 3.28Å; D89-P95 WeakPolarHBondContact OD1-CA 3.48Å; P95-L97 HydrophobicContact CB-CD2 4.39Å; P95-L97 HydrophobicContact CB-CG 4.42Å
96N84.3Confident87Confident56 Ų5658 Ų5830%0.29932%0.315SS..  trans-86.8108.2162.1-163.236.5000106.1D87 A88 D89 V94D87-N96 HydrophobicContact CB-CB 3.97Å; D87-N96 WeakPolarHBondContact CB-O 3.43Å; D87-N96 PolarHBondContact OD1-ND2 3.44Å; D87-N96 PolarHBondContact OD2-ND2 2.82Å; A88-N96 VanDerWaalsContact O-CB 3.32Å; A88-N96 WeakPolarHBondContact O-CB 3.44Å; D89-N96 PolarHBondContact OD1-N 2.84Å; V94-N96 PolarHBondContact O-N 3.16Å
97L89.2Confident87.2Confident72 Ų7254.6 Ų54.638%0.37730%0.299SS..  trans-100.3145.8174.6-63.5-178.5000107.4A20 K22 P95 D99 F124A20-L97 HydrophobicContact CB-CD2 3.9Å; K22-L97 HydrophobicContact CG-CD2 3.99Å; P95-L97 HydrophobicContact CB-CD2 4.39Å; P95-L97 HydrophobicContact CB-CG 4.42Å; L97-D99 PolarHBondContact O-N 2.77Å; L97-F124 HydrophobicContact CB-CZ 4.39Å; L97-F124 HydrophobicContact CD1-CE2 4.28Å
98P92.9Very high87.6Confident5 Ų554.3 Ų54.33%0.03230%0.297CS..  trans-44.1142.5170-35.940.9000112.4K22 D48 M64 G85 D87 P100 F124K22-P98 HydrophobicContact CB-CG 4.03Å; D48-P98 VanDerWaalsContact OD1-C 3.3Å; D48-P98 WeakPolarHBondContact OD1-CA 3.16Å; D48-P98 WeakPolarHBondContact OD1-CB 3.47Å; D48-P98 WeakPolarHBondContact OD2-CA 3.24Å; D48-P98 WeakPolarHBondContact OD2-CB 3.02Å; D48-P98 WeakPolarHBondContact OD2-CG 3.32Å; M64-P98 HydrophobicContact CE-CB 4.48Å; G85-P98 WeakPolarHBondContact O-CG 3.35Å; D87-P98 WeakPolarHBondContact OD2-CA 3.09Å; D87-P98 VanDerWaalsContact OD2-N 3.15Å; P98-P100 VanDerWaalsContact C-CD 3.44Å; P98-P100 WeakPolarHBondContact O-CD 3.35Å; P98-F124 HydrophobicContact CB-CE1 4.16Å; P98-F124 HydrophobicContact CB-CZ 4.4Å; P98-F124 VanDerWaalsContact O-CZ 3.24Å; P98-F124 WeakPolarHBondContact O-CZ 3.01Å
99D94.2Very high88.2Confident65 Ų6556.8 Ų56.835%0.34830%0.302SS..  trans-107.377.2173.3-175.616.4000109.4D48 R49 R52 L97D48-D99 PolarHBondContact OD1-N 3.22Å; R49-D99 HydrophobicContact CB-CB 3.93Å; R49-D99 VanDerWaalsContact CB-O 3.28Å; R49-D99 WeakPolarHBondContact CB-O 3.26Å; R49-D99 WeakPolarHBondContact CD-OD2 3.5Å; R49-D99 PolarHBondContact N-O 2.76Å; R52-D99 IonicContact NH2-OD2 2.73Å; R52-D99 PolarHBondContact NH2-OD2 3.48Å; L97-D99 PolarHBondContact O-N 2.77Å
100P96.6Very high88.8Confident11 Ų1156.8 Ų56.87%0.07130%0.304CS..EExtended strand (participates in β ladder)trans-71.2139.5-166.129.4-37.5000112.6V24 L46 Y47 M64 P98 I122 F124V24-P100 HydrophobicContact CG2-CB 3.83Å; V24-P100 HydrophobicContact CG2-CG 3.92Å; L46-P100 HydrophobicContact CD1-CB 4.22Å; Y47-P100 CarbonylContact O-C 3.53Å; Y47-P100 WeakPolarHBondContact O-CA 3.11Å; M64-P100 HydrophobicContact SD-CB 4.15Å; P98-P100 VanDerWaalsContact C-CD 3.44Å; P98-P100 WeakPolarHBondContact O-CD 3.35Å; P100-I122 HydrophobicContact CB-CG2 3.95Å; P100-I122 HydrophobicContact CG-CB 4.18Å; P100-I122 HydrophobicContact CG-CG2 3.75Å; P100-F124 HydrophobicContact CG-CE1 3.94Å; P100-F124 HydrophobicContact CG-CZ 4.32Å
101Y97.4Very high89.6Confident10 Ų1053.3 Ų53.34%0.03931%0.307CS..EExtended strand (participates in β ladder)trans-139.1153.7168.472.9-81.3000111.9Y47 R49 D61 Q103 H119Y47-Y101 WeakPolarHBondContact CB-OH 3.35Å; Y47-Y101 AromaticContact CD2-CE2 3.99Å; Y47-Y101 HydrophobicContact CD2-CE2 3.99Å; Y47-Y101 AromaticContact CD2-CZ 3.86Å; Y47-Y101 HydrophobicContact CG-CE1 4.11Å; Y47-Y101 HydrophobicContact CG-CE2 4.3Å; Y47-Y101 AromaticContact CG-CZ 3.72Å; Y47-Y101 PolarHBondContact N-O 3.47Å; Y47-Y101 PolarHBondContact O-N 3.25Å; R49-Y101 HydrophobicContact CB-CD1 3.93Å; R49-Y101 HydrophobicContact CB-CE1 4Å; D61-Y101 HydrophobicContact CB-CE1 4.21Å; D61-Y101 WeakPolarHBondContact OD2-CE1 3.42Å; D61-Y101 PolarHBondContact OD2-OH 2.95Å; Y101-Q103 HydrophobicContact CE2-CB 4.14Å; Y101-H119 VanDerWaalsContact CB-ND1 3.26Å; Y101-H119 WeakPolarHBondContact CB-ND1 3.08Å; Y101-H119 AromaticContact CD2-CE1 3.47Å; Y101-H119 VanDerWaalsContact CD2-CE1 3.47Å; Y101-H119 WeakPolarHBondContact CD2-CE1 3.04Å; Y101-H119 AromaticContact CD2-ND1 3.81Å; Y101-H119 AromaticContact CG-CE1 3.72Å; Y101-H119 AromaticContact CG-ND1 3.58Å
102V97.5Very high90.3Very high0 Ų057 Ų570%032%0.318CS..EExtended strand (participates in β ladder)trans-101.3129.4175.1167.70000109.7V44 R45 L46 I104 E117 L118 I122 L131V44-V102 HydrophobicContact CG1-CG1 3.71Å; R45-V102 CarbonylContact O-C 3.6Å; R45-V102 VanDerWaalsContact O-CA 3.29Å; R45-V102 WeakPolarHBondContact O-CA 3.29Å; L46-V102 HydrophobicContact CD1-CG2 4.01Å; V102-I104 HydrophobicContact CG1-CD1 4.35Å; V102-I104 HydrophobicContact CG1-CG1 3.96Å; V102-E117 CarbonylContact O-C 3.49Å; V102-E117 VanDerWaalsContact O-CA 3.31Å; V102-E117 WeakPolarHBondContact O-CA 3.28Å; V102-L118 HydrophobicContact CB-CB 4.31Å; V102-L118 PolarHBondContact N-O 3.16Å; V102-L118 PolarHBondContact O-N 3.42Å; V102-I122 HydrophobicContact CB-CD1 4.43Å; V102-I122 HydrophobicContact CG2-CD1 3.89Å; V102-L131 HydrophobicContact CG2-CD1 4.27Å
103Q96.8Very high91.1Very high24 Ų2453 Ų5311%0.11230%0.298CS..EExtended strand (participates in β ladder)trans-113.3128.2173.2-175.6-178.292.900109.6R45 Y47 Y101 I115 L116 E117R45-Q103 HydrophobicContact CB-CB 4.36Å; R45-Q103 PolarHBondContact N-O 3.03Å; R45-Q103 PolarHBondContact O-N 2.71Å; Y47-Q103 HydrophobicContact CD2-CB 3.99Å; Y47-Q103 HydrophobicContact CE2-CB 4.01Å; Y101-Q103 HydrophobicContact CE2-CB 4.14Å; Q103-I115 HydrophobicContact CG-CG2 3.51Å; Q103-L116 CarbonylContact C-O 3.58Å; Q103-E117 HydrophobicContact CB-CG 4.46Å; Q103-E117 HydrophobicContact CG-CG 4.17Å; Q103-E117 PolarHBondContact NE2-OE1 3.11Å
104I95.3Very high91.9Very high0 Ų049.7 Ų49.70%027%0.271CS..EExtended strand (participates in β ladder)trans-116115.9179.9-57.4161.7000108.1L30 E43 V44 V102 H106 I115 L116 L118 I134 L136L30-I104 HydrophobicContact CD1-CG2 4.43Å; L30-I104 HydrophobicContact CD2-CD1 3.82Å; L30-I104 HydrophobicContact CD2-CG1 4.44Å; L30-I104 HydrophobicContact CD2-CG2 4.11Å; E43-I104 CarbonylContact O-C 3.54Å; E43-I104 VanDerWaalsContact O-CA 3.29Å; E43-I104 WeakPolarHBondContact O-CA 3.36Å; V44-I104 HydrophobicContact CG1-CG1 4.35Å; V44-I104 HydrophobicContact CG2-CG1 4.36Å; V102-I104 HydrophobicContact CG1-CD1 4.35Å; V102-I104 HydrophobicContact CG1-CG1 3.96Å; I104-H106 HydrophobicContact CG2-CB 4.46Å; I104-I115 WeakPolarHBondContact O-CA 3.44Å; I104-L116 HydrophobicContact CB-CB 4.43Å; I104-L116 HydrophobicContact CD1-CD2 4.39Å; I104-L116 PolarHBondContact N-O 3.49Å; I104-L116 PolarHBondContact O-N 3.08Å; I104-L118 HydrophobicContact CD1-CD1 4.26Å; I104-I134 HydrophobicContact CD1-CD1 3.95Å; I104-I134 HydrophobicContact CD1-CG2 3.78Å; I104-L136 HydrophobicContact CG2-CD2 3.93Å
105R94.8Very high92.7Very high129 Ų12950.6 Ų50.649%0.48727%0.272SS..EExtended strand (participates in β ladder)trans-97.1128.8170-176.1-175.8179.4-168.51.6109A42 E43 D114A42-R105 CarbonylContact C-O 3.48Å; A42-R105 VanDerWaalsContact CA-O 3.31Å; A42-R105 WeakPolarHBondContact CA-O 3.17Å; E43-R105 HydrophobicContact CB-CB 4.26Å; E43-R105 PolarHBondContact N-O 2.94Å; E43-R105 PolarHBondContact O-N 3.43Å; R105-D114 WeakPolarHBondContact CA-O 3.06Å
106H93.3Very high93.4Very high7 Ų748.9 Ų48.93%0.03226%0.258CS..EExtended strand (participates in β ladder)trans-154163.9-17463.6100.8000112.2A42 I104 C108 G113 D114 L136A42-H106 HydrophobicContact CB-CB 4.22Å; I104-H106 HydrophobicContact CG2-CB 4.46Å; H106-C108 VanDerWaalsContact ND1-CB 3.29Å; H106-C108 WeakPolarHBondContact ND1-CB 3.27Å; H106-C108 PolarHBondContact ND1-N 2.84Å; H106-G113 CarbonylContact O-C 3.49Å; H106-G113 WeakPolarHBondContact O-CA 3.38Å; H106-D114 PolarHBondContact N-O 3.42Å; H106-D114 PolarHBondContact O-N 3.31Å; H106-L136 HydrophobicContact CB-CD1 3.89Å; H106-L136 PolarHBondContact CE1-O 3.06Å; H106-L136 VanDerWaalsContact CE1-O 3.3Å
107S93.1Very high94Very high24 Ų2449.9 Ų49.917%0.16826%0.26CS..  trans-113.729179.756.80000113.1A38 T41 S110A38-S107 WeakPolarHBondContact CB-OG 3.21Å; T41-S107 PolarHBondContact OG1-OG 2.85Å; S107-S110 CarbonylContact C-O 3.51Å; S107-S110 VanDerWaalsContact CA-O 3.27Å; S107-S110 WeakPolarHBondContact CA-O 3.07Å
108C92.9Very high94.3Very high4 Ų448.5 Ų48.53%0.02725%0.253CS..SBendtrans-64.9-49-172.8-176.20000112.9C32 H106 L136 D137C32-C108 HydrophobicContact CB-CB 3.91Å; C32-C108 WeakPolarHBondContact CB-SG 3.44Å; C32-C108 WeakPolarHBondContact SG-CA 3.48Å; C32-C108 WeakPolarHBondContact SG-CB 3.19Å; C32-C108 CovalentContact SG-SG 2.02Å; C32-C108 PolarHBondContact SG-SG 3.37Å; H106-C108 VanDerWaalsContact ND1-CB 3.29Å; H106-C108 WeakPolarHBondContact ND1-CB 3.27Å; H106-C108 PolarHBondContact ND1-N 2.84Å; C108-L136 HydrophobicContact CB-CB 3.82Å; C108-D137 PolarHBondContact SG-OD1 3.05Å
109K93Very high94.4Very high83 Ų8352.1 Ų52.136%0.36127%0.27SS..SBendtrans-90.1-31.4-179.3-50.4179.2-65.4-154.30111.9D114 D137 Y138K109-D114 WeakPolarHBondContact CB-OD2 3.22Å; K109-D114 WeakPolarHBondContact CE-OD2 3.41Å; K109-D137 WeakPolarHBondContact CD-O 3.32Å; K109-Y138 PolarHBondContact NZ-O 2.04Å; K109-Y138 PolarHBondContact NZ-OXT 3.31Å
110S91.3Very high94.4Very high26 Ų2658.1 Ų58.118%0.18229%0.292CS..  trans-144.5140.3-174.9175.90000113.1S107 Q112 G113S107-S110 CarbonylContact C-O 3.51Å; S107-S110 VanDerWaalsContact CA-O 3.27Å; S107-S110 WeakPolarHBondContact CA-O 3.07Å; S110-Q112 PolarHBondContact O-N 3.05Å; S110-Q112 PolarHBondContact OG-N 3.25Å; S110-Q112 VanDerWaalsContact OG-N 3.15Å; S110-Q112 PolarHBondContact OG-OE1 3Å; S110-G113 PolarHBondContact O-N 2.83Å; S110-G113 VanDerWaalsContact O-N 3.13Å
111P89.7Confident94.2Very high120 Ų12060.3 Ų60.378%0.77932%0.318SS*.THydrogen-bonded Turntrans-60.9-21.9170.6-21.432.9000114.5G113P111-G113 PolarHBondContact O-N 3.47Å
112Q92.3Very high94.2Very high162 Ų16261.2 Ų61.276%0.75732%0.323SS*.THydrogen-bonded Turntrans-70.3-19.5176.9-71.878.551.800112.7S110S110-Q112 PolarHBondContact O-N 3.05Å; S110-Q112 PolarHBondContact OG-N 3.25Å; S110-Q112 VanDerWaalsContact OG-N 3.15Å; S110-Q112 PolarHBondContact OG-OE1 3Å
113G91.7Very high94.2Very high29 Ų2965.4 Ų65.430%0.29934%0.341SS..  trans91.7143-178.100000113.1H106 S110 P111H106-G113 CarbonylContact O-C 3.49Å; H106-G113 WeakPolarHBondContact O-CA 3.38Å; S110-G113 PolarHBondContact O-N 2.83Å; S110-G113 VanDerWaalsContact O-N 3.13Å; P111-G113 PolarHBondContact O-N 3.47Å
114D94.2Very high94.2Very high45 Ų4567.1 Ų67.124%0.24135%0.348CS..EExtended strand (participates in β ladder)trans-120.8163173.7-66.4-55.3000109.8R105 H106 K109R105-D114 WeakPolarHBondContact CA-O 3.06Å; H106-D114 PolarHBondContact N-O 3.42Å; H106-D114 PolarHBondContact O-N 3.31Å; K109-D114 WeakPolarHBondContact CB-OD2 3.22Å; K109-D114 WeakPolarHBondContact CE-OD2 3.41Å
115I95.1Very high94.2Very high105 Ų10572 Ų7254%0.53837%0.369SS..EExtended strand (participates in β ladder)trans-123.4128.6174.9-61.7176.6000109Q103 I104 E117Q103-I115 HydrophobicContact CG-CG2 3.51Å; I104-I115 WeakPolarHBondContact O-CA 3.44Å; I115-E117 HydrophobicContact CG2-CG 4.05Å
116L95.6Very high94.3Very high50 Ų5070.9 Ų70.926%0.26238%0.379SS..EExtended strand (participates in β ladder)trans-115.2134.6169.4175.364.9000109.2Q103 I104 L118 I134 L136Q103-L116 CarbonylContact C-O 3.58Å; I104-L116 HydrophobicContact CB-CB 4.43Å; I104-L116 HydrophobicContact CD1-CD2 4.39Å; I104-L116 PolarHBondContact N-O 3.49Å; I104-L116 PolarHBondContact O-N 3.08Å; L116-L118 HydrophobicContact CG-CD2 4.45Å; L116-I134 HydrophobicContact CD2-CG2 3.48Å; L116-I134 VanDerWaalsContact CD2-CG2 3.48Å; L116-L136 HydrophobicContact CD2-CD2 3.97Å
117E96.6Very high94.6Very high76 Ų7675.6 Ų75.636%0.35540%0.401SS..EExtended strand (participates in β ladder)trans-121137.2178.4-58.5-172.1149.100112.4V102 Q103 I115 H119V102-E117 CarbonylContact O-C 3.49Å; V102-E117 VanDerWaalsContact O-CA 3.31Å; V102-E117 WeakPolarHBondContact O-CA 3.28Å; Q103-E117 HydrophobicContact CB-CG 4.46Å; Q103-E117 HydrophobicContact CG-CG 4.17Å; Q103-E117 PolarHBondContact NE2-OE1 3.11Å; I115-E117 HydrophobicContact CG2-CG 4.05Å; E117-H119 WeakPolarHBondContact CB-NE2 3.35Å; E117-H119 IonicContact OE2-CE1 3.35Å; E117-H119 PolarHBondContact OE2-CE1 3.34Å; E117-H119 IonicContact OE2-NE2 2.63Å; E117-H119 PolarHBondContact OE2-NE2 2.97Å
118L96.7Very high94.8Very high43 Ų4380.2 Ų80.223%0.22542%0.418CS..EExtended strand (participates in β ladder)trans-117.8102.9179.1-53.7178000108.9V102 I104 L116 L131 I134V102-L118 HydrophobicContact CB-CB 4.31Å; V102-L118 PolarHBondContact N-O 3.16Å; V102-L118 PolarHBondContact O-N 3.42Å; I104-L118 HydrophobicContact CD1-CD1 4.26Å; L116-L118 HydrophobicContact CG-CD2 4.45Å; L118-L131 HydrophobicContact CD1-CD1 4.24Å; L118-L131 HydrophobicContact CD1-CD2 4.24Å; L118-I134 HydrophobicContact CD1-CD1 3.77Å; L118-I134 HydrophobicContact CD1-CG1 4.05Å
119H94.8Very high95Very high82 Ų8280.2 Ų80.238%0.3842%0.418SS..  trans-99.8-0.2-173.3-62.2-64.5000114.5R49 Y101 E117R49-H119 PolarHBondContact NH2-CE1 3.49Å; R49-H119 PolarHBondContact NH2-ND1 2.74Å; Y101-H119 VanDerWaalsContact CB-ND1 3.26Å; Y101-H119 WeakPolarHBondContact CB-ND1 3.08Å; Y101-H119 AromaticContact CD2-CE1 3.47Å; Y101-H119 VanDerWaalsContact CD2-CE1 3.47Å; Y101-H119 WeakPolarHBondContact CD2-CE1 3.04Å; Y101-H119 AromaticContact CD2-ND1 3.81Å; Y101-H119 AromaticContact CG-CE1 3.72Å; Y101-H119 AromaticContact CG-ND1 3.58Å; E117-H119 WeakPolarHBondContact CB-NE2 3.35Å; E117-H119 IonicContact OE2-CE1 3.35Å; E117-H119 PolarHBondContact OE2-CE1 3.34Å; E117-H119 IonicContact OE2-NE2 2.63Å; E117-H119 PolarHBondContact OE2-NE2 2.97Å
120K92.8Very high95.2Very high190 Ų19084.2 Ų84.283%0.82644%0.438SS*.SBendtrans-130.2147.6-170.1-66.9-174.7-179.6179.20111.8I122K120-I122 VanDerWaalsContact C-N 3.29Å; K120-I122 PolarHBondContact O-N 3.02Å
121G93.4Very high95.4Very high58 Ų5884.6 Ų84.660%0.59844%0.438SS*.SBendtrans79.67.6172.900000114.6T129G121-T129 WeakPolarHBondContact O-CG2 3.24Å
122I96.8Very high95.7Very high29 Ų2980.8 Ų80.815%0.14942%0.42CS..  trans-77.7130.7174.5-54.3-171000109.4V24 P100 V102 K120V24-I122 HydrophobicContact CB-CG2 4.33Å; V24-I122 HydrophobicContact CG1-CG2 3.49Å; V24-I122 VanDerWaalsContact CG1-CG2 3.49Å; V24-I122 HydrophobicContact CG2-CG2 3.84Å; P100-I122 HydrophobicContact CB-CG2 3.95Å; P100-I122 HydrophobicContact CG-CB 4.18Å; P100-I122 HydrophobicContact CG-CG2 3.75Å; V102-I122 HydrophobicContact CB-CD1 4.43Å; V102-I122 HydrophobicContact CG2-CD1 3.89Å; K120-I122 VanDerWaalsContact C-N 3.29Å; K120-I122 PolarHBondContact O-N 3.02Å
123K97.1Very high95.8Very high88 Ų8879 Ų7938%0.38342%0.415SS..  trans-116.9148.4-175.7-48.3-171.1-172.2170.60110.3E127 T129K123-E127 HydrophobicContact CB-CB 4.21Å; K123-E127 HydrophobicContact CB-CG 4.26Å; K123-E127 HydrophobicContact CD-CB 4.48Å; K123-E127 HydrophobicContact CD-CG 3.67Å; K123-E127 WeakPolarHBondContact CD-OE1 3.45Å; K123-E127 WeakPolarHBondContact CE-OE1 3.28Å; K123-E127 IonicContact NZ-OE1 2.76Å; K123-E127 PolarHBondContact NZ-OE1 3.45Å; K123-T129 PolarHBondContact N-OG1 3.21Å
124F96.8Very high96Very high59 Ų5978.2 Ų78.226%0.25940%0.403SS..BIsolated β-bridgetrans-79.4140.8175.3-63.3-59.6000112K22 C23 V24 L97 P98 P100 E127K22-F124 HydrophobicContact CB-CD1 3.58Å; K22-F124 HydrophobicContact CB-CE1 3.62Å; K22-F124 HydrophobicContact CB-CG 4.17Å; K22-F124 HydrophobicContact CB-CZ 4.23Å; K22-F124 HydrophobicContact CD-CG 4.39Å; K22-F124 HydrophobicContact CG-CD1 4.23Å; K22-F124 HydrophobicContact CG-CE1 4.22Å; K22-F124 HydrophobicContact CG-CG 4.4Å; K22-F124 HydrophobicContact CG-CZ 4.37Å; C23-F124 CarbonylContact O-C 3.53Å; C23-F124 WeakPolarHBondContact O-CA 3.04Å; V24-F124 HydrophobicContact CG2-CD1 3.92Å; V24-F124 HydrophobicContact CG2-CE1 4.29Å; L97-F124 HydrophobicContact CB-CZ 4.39Å; L97-F124 HydrophobicContact CD1-CE2 4.28Å; P98-F124 HydrophobicContact CB-CE1 4.16Å; P98-F124 HydrophobicContact CB-CZ 4.4Å; P98-F124 VanDerWaalsContact O-CZ 3.24Å; P98-F124 WeakPolarHBondContact O-CZ 3.01Å; P100-F124 HydrophobicContact CG-CE1 3.94Å; P100-F124 HydrophobicContact CG-CZ 4.32Å; F124-E127 CarbonylContact C-O 3.54Å; F124-E127 WeakPolarHBondContact O-CB 3.12Å; F124-E127 PolarHBondContact O-N 2.87Å
125F96.4Very high96Very high102 Ų10277.8 Ų77.845%0.44740%0.401SS..THydrogen-bonded Turntrans-54.5138.8170.7-172-91.8000110.4C23 E25C23-F125 HydrophobicContact CB-CB 4.19Å; C23-F125 WeakPolarHBondContact O-CB 3.09Å; C23-F125 PolarHBondContact O-N 3.23Å; E25-F125 HydrophobicContact CB-CD2 3.99Å
126P97.3Very high96Very high106 Ų10672.9 Ų72.969%0.68838%0.376SS*.THydrogen-bonded Turncis-81-3.313.533.7-37.3000115.9K128P126-K128 PolarHBondContact O-N 2.91Å
127E98Very high95.9Very high107 Ų10771.5 Ų71.550%0.537%0.369SS..SBendtrans-74.1129.2175.8-161.1176.1173.500110.2K123 F124K123-E127 HydrophobicContact CB-CB 4.21Å; K123-E127 HydrophobicContact CB-CG 4.26Å; K123-E127 HydrophobicContact CD-CB 4.48Å; K123-E127 HydrophobicContact CD-CG 3.67Å; K123-E127 WeakPolarHBondContact CD-OE1 3.45Å; K123-E127 WeakPolarHBondContact CE-OE1 3.28Å; K123-E127 IonicContact NZ-OE1 2.76Å; K123-E127 PolarHBondContact NZ-OE1 3.45Å; F124-E127 CarbonylContact C-O 3.54Å; F124-E127 WeakPolarHBondContact O-CB 3.12Å; F124-E127 PolarHBondContact O-N 2.87Å
128K97.4Very high95.1Very high120 Ų12078.2 Ų78.252%0.52239%0.392SS..EExtended strand (participates in β ladder)trans-94.4142.4-176.9-56-175.2-175.6-150.80110.5E25 P126E25-K128 WeakPolarHBondContact OE1-CD 3.48Å; E25-K128 WeakPolarHBondContact OE1-CE 3.49Å; E25-K128 IonicContact OE1-NZ 2.71Å; E25-K128 PolarHBondContact OE1-NZ 2.93Å; P126-K128 PolarHBondContact O-N 2.91Å
129T98.1Very high95.1Very high5 Ų580 Ų803%0.03140%0.401CS..EExtended strand (participates in β ladder)trans-96.8122.5174.2-54.60000109.9E25 A26 T27 G121 K123 L131E25-T129 PolarHBondContact O-N 3.3Å; A26-T129 CarbonylContact C-O 3.54Å; A26-T129 VanDerWaalsContact CA-O 3.26Å; A26-T129 WeakPolarHBondContact CA-O 3.27Å; A26-T129 HydrophobicContact CB-CG2 4.44Å; T27-T129 PolarHBondContact N-O 3.39Å; G121-T129 WeakPolarHBondContact O-CG2 3.24Å; K123-T129 PolarHBondContact N-OG1 3.21Å; T129-L131 HydrophobicContact CG2-CD2 3.74Å; T129-L131 HydrophobicContact CG2-CG 4.15Å
130E96.8Very high95.1Very high166 Ų16679.9 Ų79.978%0.77640%0.402SS*.EExtended strand (participates in β ladder)trans-100.5109.3166.3-67.3-152.1-163.600109.5G132E130-G132 VanDerWaalsContact C-N 3.26Å
131L96.1Very high95.2Very high35 Ų3573.8 Ų73.818%0.18338%0.378CS..EExtended strand (participates in β ladder)trans-79.7-12.2179.3-60.9169.7000112.4A26 T27 F79 V102 L118 T129 I134A26-L131 HydrophobicContact CB-CD1 4.26Å; T27-L131 WeakPolarHBondContact O-CB 3.45Å; T27-L131 PolarHBondContact O-N 3.18Å; F79-L131 HydrophobicContact CE2-CD1 4.06Å; F79-L131 HydrophobicContact CZ-CD1 3.8Å; V102-L131 HydrophobicContact CG2-CD1 4.27Å; L118-L131 HydrophobicContact CD1-CD1 4.24Å; L118-L131 HydrophobicContact CD1-CD2 4.24Å; T129-L131 HydrophobicContact CG2-CD2 3.74Å; T129-L131 HydrophobicContact CG2-CG 4.15Å; L131-I134 HydrophobicContact CB-CD1 3.94Å; L131-I134 HydrophobicContact CB-CG1 4.41Å; L131-I134 HydrophobicContact CD1-CD1 4.23Å
132G95.3Very high95.3Very high39 Ų3974.7 Ų74.740%0.40237%0.365SS..EExtended strand (participates in β ladder)trans69-148.3-17800000112.9G28 K29 E130G28-G132 WeakPolarHBondContact CA-O 3.32Å; K29-G132 PolarHBondContact N-O 2.96Å; E130-G132 VanDerWaalsContact C-N 3.26Å
133I95.1Very high95.2Very high126 Ų12677.6 Ų77.665%0.64638%0.379SS*.EExtended strand (participates in β ladder)trans-86.3124175.2-61.1172.8000108.7K29 Y31K29-I133 CarbonylContact O-C 3.53Å; K29-I133 WeakPolarHBondContact O-CA 3.46Å; Y31-I133 HydrophobicContact CG-CG2 4.41Å
134I95.4Very high95.1Very high11 Ų1176.9 Ų76.96%0.05638%0.379CS..EExtended strand (participates in β ladder)trans-105.6107.2178-59.7155.3000107.4K29 L30 Y31 F79 I104 L116 L118 L131 L136K29-I134 PolarHBondContact O-N 3.19Å; L30-I134 HydrophobicContact CD2-CB 4.27Å; L30-I134 HydrophobicContact CD2-CD1 4.25Å; L30-I134 HydrophobicContact CD2-CG2 4.48Å; Y31-I134 PolarHBondContact N-O 3.45Å; F79-I134 HydrophobicContact CE1-CD1 3.84Å; F79-I134 HydrophobicContact CZ-CD1 3.79Å; I104-I134 HydrophobicContact CD1-CD1 3.95Å; I104-I134 HydrophobicContact CD1-CG2 3.78Å; L116-I134 HydrophobicContact CD2-CG2 3.48Å; L116-I134 VanDerWaalsContact CD2-CG2 3.48Å; L118-I134 HydrophobicContact CD1-CD1 3.77Å; L118-I134 HydrophobicContact CD1-CG1 4.05Å; L131-I134 HydrophobicContact CB-CD1 3.94Å; L131-I134 HydrophobicContact CB-CG1 4.41Å; L131-I134 HydrophobicContact CD1-CD1 4.23Å; I134-L136 HydrophobicContact CG2-CD2 4.06Å; I134-L136 PolarHBondContact O-N 3.28Å
135D95.3Very high95Very high37 Ų3778.1 Ų78.120%0.19839%0.387CS..EExtended strand (participates in β ladder)trans-79.9113178-170.2-15000110.1Y31 D137 Y138Y31-D135 HydrophobicContact CD1-CB 4.45Å; D135-D137 VanDerWaalsContact C-N 3.32Å; D135-D137 VanDerWaalsContact OD1-CB 3.24Å; D135-D137 WeakPolarHBondContact OD1-CB 3.33Å; D135-D137 PolarHBondContact OD1-N 3.47Å; D135-D137 VanDerWaalsContact OD1-OD2 3.14Å; D135-Y138 HydrophobicContact CB-CD2 3.81Å; D135-Y138 HydrophobicContact CB-CE2 3.91Å; D135-Y138 VanDerWaalsContact OD2-CE2 3.22Å; D135-Y138 WeakPolarHBondContact OD2-CE2 3.45Å
136L94.9Very high94.9Very high2 Ų276.3 Ų76.31%0.0138%0.383CS..THydrogen-bonded Turntrans-87.10.3-179.4-59.6-179.2000113.1L30 Y31 C32 L39 I104 H106 C108 L116 I134 Y138L30-L136 HydrophobicContact CB-CD1 4.02Å; L30-L136 HydrophobicContact CD1-CD1 4.35Å; L30-L136 HydrophobicContact CD2-CD1 4.32Å; L30-L136 HydrophobicContact CD2-CD2 4.35Å; L30-L136 HydrophobicContact CG-CD1 4.46Å; Y31-L136 WeakPolarHBondContact O-CB 3.18Å; Y31-L136 PolarHBondContact O-N 3.41Å; C32-L136 HydrophobicContact CB-CB 4.47Å; L39-L136 HydrophobicContact CD2-CD1 3.97Å; I104-L136 HydrophobicContact CG2-CD2 3.93Å; H106-L136 HydrophobicContact CB-CD1 3.89Å; H106-L136 PolarHBondContact CE1-O 3.06Å; H106-L136 VanDerWaalsContact CE1-O 3.3Å; C108-L136 HydrophobicContact CB-CB 3.82Å; L116-L136 HydrophobicContact CD2-CD2 3.97Å; I134-L136 HydrophobicContact CG2-CD2 4.06Å; I134-L136 PolarHBondContact O-N 3.28Å; L136-Y138 VanDerWaalsContact C-N 3.32Å
137D91.9Very high94.6Very high21 Ų2173.8 Ų73.811%0.11236%0.357CS..THydrogen-bonded Turntrans-78.7-14.5175.7-66.7-71.9000113.4R33 R34 C108 K109 D135R33-D137 WeakPolarHBondContact CA-OD2 3.34Å; R33-D137 WeakPolarHBondContact CB-OD2 3.43Å; R33-D137 PolarHBondContact N-OD1 2.91Å; R33-D137 PolarHBondContact N-OD2 3.17Å; R34-D137 WeakPolarHBondContact CB-OD1 3.22Å; R34-D137 WeakPolarHBondContact CD-OD1 3.21Å; R34-D137 WeakPolarHBondContact CG-OD1 3.37Å; R34-D137 PolarHBondContact N-OD1 2.87Å; R34-D137 IonicContact NE-OD1 3.89Å; C108-D137 PolarHBondContact SG-OD1 3.05Å; K109-D137 WeakPolarHBondContact CD-O 3.32Å; D135-D137 VanDerWaalsContact C-N 3.32Å; D135-D137 VanDerWaalsContact OD1-CB 3.24Å; D135-D137 WeakPolarHBondContact OD1-CB 3.33Å; D135-D137 PolarHBondContact OD1-N 3.47Å; D135-D137 VanDerWaalsContact OD1-OD2 3.14Å
138Y81.4Confident94.3Very high217 Ų21770.8 Ų70.885%0.85134%0.344SS*.  trans-82.40176-67.9-77.8000112K109 D135 L136K109-Y138 PolarHBondContact NZ-O 2.04Å; K109-Y138 PolarHBondContact NZ-OXT 3.31Å; D135-Y138 HydrophobicContact CB-CD2 3.81Å; D135-Y138 HydrophobicContact CB-CE2 3.91Å; D135-Y138 VanDerWaalsContact OD2-CE2 3.22Å; D135-Y138 WeakPolarHBondContact OD2-CE2 3.45Å; L136-Y138 VanDerWaalsContact C-N 3.32Å

Retrieved 138 of 138 residues in 169.8 ms (Link to these results)

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