A0A087XAU8_POEFO Loading...

Left-right determination factor

AlphaFold DB , UniProt , Accession A0A087XAU8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 361 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
1M42.9Very low36.6Very low223 Ų223162 Ų162100%1.09983%0.831SS**  094.40-163.4167.6101.900107.5
2Y31.2Very low36.5Very low234 Ų234154.8 Ų154.892%0.91882%0.815SS**  trans-174.2110.2153.8-89.7-63.6000107
3F37Very low36.3Very low177 Ų177149.5 Ų149.578%0.77681%0.807SS**  trans-73.9131.2176.1-96.6-102.5000109.8
4L34.1Very low36Very low176 Ų176152 Ų15292%0.92181%0.807SS**  trans-139.498.4148-109.9109.8000109.2A6L4-A6 PolarHBondContact O-N 3.48Å
5R38Very low35.7Very low193 Ų193152.5 Ų152.573%0.72881%0.808SS**  trans-74.6111.3165.5-82.8176.9163.9174-4.4107.9F7R5-F7 HydrophobicContact CB-CD2 4.4Å; R5-F7 PolarHBondContact O-N 3.39Å
6A36.2Very low35.4Very low103 Ų103150.4 Ų150.485%0.85180%0.803SS**  trans-84.696.1160.800000108L4 C8L4-A6 PolarHBondContact O-N 3.48Å; A6-C8 PolarHBondContact O-N 3.2Å
7F37.7Very low35.2Very low162 Ų162147.8 Ų147.871%0.71180%0.796SS**  trans-79.5107.9167-106.8-89.9000107.9R5 V9R5-F7 HydrophobicContact CB-CD2 4.4Å; R5-F7 PolarHBondContact O-N 3.39Å; F7-V9 PolarHBondContact O-N 2.97Å; F7-V9 VanDerWaalsContact O-N 3.1Å
8C36.5Very low35.6Very low120 Ų120144.4 Ų144.481%0.81179%0.786SS**  trans-71.395.9170-143.30000107.7A6 L10A6-C8 PolarHBondContact O-N 3.2Å; C8-L10 PolarHBondContact O-N 3.38Å; C8-L10 VanDerWaalsContact O-N 3.15Å
9V39.5Very low35.8Very low117 Ų117139.7 Ų139.771%0.70977%0.774SS**  trans-78.495.8170.61800000107F7 C11F7-V9 PolarHBondContact O-N 2.97Å; F7-V9 VanDerWaalsContact O-N 3.1Å; V9-C11 VanDerWaalsContact C-N 3.28Å; V9-C11 PolarHBondContact O-N 3.4Å
10L37.4Very low36.2Very low164 Ų164134 Ų13486%0.85975%0.746SS**  trans-6094.7159.4-87.8149.2000107.4C8 A12C8-L10 PolarHBondContact O-N 3.38Å; C8-L10 VanDerWaalsContact O-N 3.15Å; L10-A12 PolarHBondContact O-N 3.38Å
11C32.8Very low37.3Very low113 Ų113132.5 Ų132.576%0.76473%0.732SS**  trans-63.692.2160.5-87.80000107.4V9 A13V9-C11 VanDerWaalsContact C-N 3.28Å; V9-C11 PolarHBondContact O-N 3.4Å; C11-A13 VanDerWaalsContact C-N 3.3Å; C11-A13 PolarHBondContact O-N 2.71Å
12A34.7Very low38.7Very low76 Ų76124.8 Ų124.863%0.62870%0.698SS**  trans-57.7102.3157.400000106.4L10 F14L10-A12 PolarHBondContact O-N 3.38Å; A12-F14 VanDerWaalsContact C-N 3.3Å; A12-F14 PolarHBondContact O-N 2.74Å
13A34.5Very low40.8Very low86 Ų86117.5 Ų117.571%0.71167%0.672SS**  trans-59.6100.1166.600000106.5C11 L15C11-A13 VanDerWaalsContact C-N 3.3Å; C11-A13 PolarHBondContact O-N 2.71Å; A13-L15 PolarHBondContact O-N 2.88Å
14F31.3Very low42.9Very low184 Ų184113.6 Ų113.681%0.80766%0.656SS**  trans-63.789.7159.7-78.5-82.3000105.9A12 V16A12-F14 VanDerWaalsContact C-N 3.3Å; A12-F14 PolarHBondContact O-N 2.74Å; F14-V16 PolarHBondContact O-N 2.83Å
15L31.3Very low45.1Very low159 Ų159108.8 Ų108.883%0.83263%0.631SS**  trans-57.594.2154.4-76.8163.3000105A13 P17A13-L15 PolarHBondContact O-N 2.88Å; L15-P17 WeakPolarHBondContact O-CD 3.19Å; L15-P17 VanDerWaalsContact O-N 3.15Å
16V31.6Very low47.3Very low119 Ų11999.7 Ų99.772%0.72160%0.597SS**  trans-63.9110.2162.91760000104.2F14 S18F14-V16 PolarHBondContact O-N 2.83Å; V16-S18 PolarHBondContact O-N 2.85Å; V16-S18 VanDerWaalsContact O-N 3.14Å
17P32.3Very low49.6Very low106 Ų10697 Ų9769%0.68857%0.566SS**  trans-62.5123.9171.727.9-30000105.6L15 G19L15-P17 WeakPolarHBondContact O-CD 3.19Å; L15-P17 VanDerWaalsContact O-N 3.15Å; P17-G19 PolarHBondContact O-N 3.23Å
18S42.6Very low51.9Low87 Ų8793.4 Ų93.461%0.60855%0.554SS**  trans-65.37916352.20000106.7V16V16-S18 PolarHBondContact O-N 2.85Å; V16-S18 VanDerWaalsContact O-N 3.14Å
19G39Very low54.2Low55 Ų5589.7 Ų89.757%0.56753%0.532SS*.  trans-72.7135.9-170.500000109.9P17P17-G19 PolarHBondContact O-N 3.23Å
20A44Very low56.3Low25 Ų2584.2 Ų84.221%0.20750%0.499CS..  trans-32.2139.6149.700000111.3T22 R297A20-T22 VanDerWaalsContact C-N 3.34Å; A20-T22 VanDerWaalsContact O-CG2 3.27Å; A20-T22 WeakPolarHBondContact O-CG2 3.2Å; A20-T22 PolarHBondContact O-N 3Å; A20-R297 VanDerWaalsContact CB-NH1 3.32Å
21F58.4Low58.8Low103 Ų10377 Ų7745%0.45246%0.461SS..  trans-54.9102.1159.7-172.3-104.1000108.3D25 M26F21-D25 HydrophobicContact CD2-CB 4.19Å; F21-D25 HydrophobicContact CE2-CB 4.34Å; F21-M26 HydrophobicContact CD1-CB 4.41Å; F21-M26 HydrophobicContact CE1-CB 3.54Å; F21-M26 HydrophobicContact CE1-CE 4.01Å; F21-M26 HydrophobicContact CE1-CG 3.83Å; F21-M26 HydrophobicContact CZ-CB 3.75Å; F21-M26 HydrophobicContact CZ-CG 4.07Å
22T73.6Confident61.4Low62 Ų6279.5 Ų79.538%0.3846%0.461SS..  trans-83.7166-176.567.10000110.4A20 E24 D25 M26A20-T22 VanDerWaalsContact C-N 3.34Å; A20-T22 VanDerWaalsContact O-CG2 3.27Å; A20-T22 WeakPolarHBondContact O-CG2 3.2Å; A20-T22 PolarHBondContact O-N 3Å; T22-E24 PolarHBondContact O-N 3.24Å; T22-E24 PolarHBondContact OG1-N 3.44Å; T22-D25 WeakPolarHBondContact CB-OD2 3.46Å; T22-D25 PolarHBondContact N-OD2 3Å; T22-D25 PolarHBondContact O-N 3.13Å; T22-D25 PolarHBondContact OG1-N 3.35Å; T22-D25 PolarHBondContact OG1-OD2 2.89Å; T22-M26 PolarHBondContact O-N 2.95Å; T22-M26 VanDerWaalsContact O-N 3.09Å
23H74.7Confident63.7Low81 Ų8181.9 Ų81.938%0.37546%0.458SS..Hα-helixtrans-60.8-24.8172.9-71.3-64.8000112.7K27H23-K27 WeakPolarHBondContact O-CB 3.14Å; H23-K27 PolarHBondContact O-N 3.1Å; H23-K27 VanDerWaalsContact O-N 3.11Å
24E80.9Confident66Low95 Ų9579.4 Ų79.444%0.44443%0.432SS..Hα-helixtrans-76.5-44.1176.6-156.765-164.800110.8T22 M26 K27 D28T22-E24 PolarHBondContact O-N 3.24Å; T22-E24 PolarHBondContact OG1-N 3.44Å; E24-M26 PolarHBondContact O-N 3.15Å; E24-K27 WeakPolarHBondContact O-CB 3.3Å; E24-K27 PolarHBondContact O-N 3.23Å; E24-K27 IonicContact OE1-NZ 2.74Å; E24-K27 PolarHBondContact OE1-NZ 3.31Å; E24-K27 IonicContact OE2-NZ 2.71Å; E24-D28 PolarHBondContact O-N 2.99Å
25D80.4Confident68.5Low75 Ų7573.6 Ų73.640%0.40142%0.424SS..Hα-helixtrans-59.1-38.2174.9-55.4-48.7000111.5F21 T22 A29F21-D25 HydrophobicContact CD2-CB 4.19Å; F21-D25 HydrophobicContact CE2-CB 4.34Å; T22-D25 WeakPolarHBondContact CB-OD2 3.46Å; T22-D25 PolarHBondContact N-OD2 3Å; T22-D25 PolarHBondContact O-N 3.13Å; T22-D25 PolarHBondContact OG1-N 3.35Å; T22-D25 PolarHBondContact OG1-OD2 2.89Å; D25-A29 VanDerWaalsContact O-CB 3.29Å; D25-A29 WeakPolarHBondContact O-CB 3.38Å; D25-A29 PolarHBondContact O-N 2.9Å
26M83.4Confident71Confident1 Ų168.1 Ų68.11%0.00540%0.396CS..Hα-helixtrans-65.4-44.9174.5-172.7-161.1-57.400112.3F21 T22 E24 D28 A29 L30 I275 F277 W282 M346F21-M26 HydrophobicContact CD1-CB 4.41Å; F21-M26 HydrophobicContact CE1-CB 3.54Å; F21-M26 HydrophobicContact CE1-CE 4.01Å; F21-M26 HydrophobicContact CE1-CG 3.83Å; F21-M26 HydrophobicContact CZ-CB 3.75Å; F21-M26 HydrophobicContact CZ-CG 4.07Å; T22-M26 PolarHBondContact O-N 2.95Å; T22-M26 VanDerWaalsContact O-N 3.09Å; E24-M26 PolarHBondContact O-N 3.15Å; M26-D28 VanDerWaalsContact C-N 3.34Å; M26-A29 PolarHBondContact O-N 2.76Å; M26-L30 HydrophobicContact CG-CD1 3.85Å; M26-L30 WeakPolarHBondContact O-CB 3.36Å; M26-L30 WeakPolarHBondContact O-CD1 3.41Å; M26-L30 WeakPolarHBondContact O-CG 3.43Å; M26-L30 PolarHBondContact O-N 3.26Å; M26-L30 HydrophobicContact SD-CD1 4.26Å; M26-I275 HydrophobicContact CE-CD1 3.15Å; M26-I275 HydrophobicContact CE-CG1 4.21Å; M26-I275 HydrophobicContact CE-CG2 3.77Å; M26-I275 HydrophobicContact SD-CG2 4.27Å; M26-F277 HydrophobicContact SD-CE1 4.02Å; M26-W282 HydrophobicContact CG-CH2 4.46Å; M26-W282 HydrophobicContact SD-CH2 4.18Å; M26-W282 HydrophobicContact SD-CZ2 4.02Å; M26-M346 HydrophobicContact CG-CE 4.24Å; M26-M346 HydrophobicContact SD-CE 4.42Å
27K86.1Confident73.5Confident48 Ų4870.4 Ų70.421%0.20940%0.404CS..Hα-helixtrans-59.4-48.6178.9171.8-174.7155.2-149.70110H23 E24 A29 L30 L31 V39 W282H23-K27 WeakPolarHBondContact O-CB 3.14Å; H23-K27 PolarHBondContact O-N 3.1Å; H23-K27 VanDerWaalsContact O-N 3.11Å; E24-K27 WeakPolarHBondContact O-CB 3.3Å; E24-K27 PolarHBondContact O-N 3.23Å; E24-K27 IonicContact OE1-NZ 2.74Å; E24-K27 PolarHBondContact OE1-NZ 3.31Å; E24-K27 IonicContact OE2-NZ 2.71Å; K27-A29 PolarHBondContact O-N 3.13Å; K27-L30 PolarHBondContact O-N 3.31Å; K27-L31 HydrophobicContact CG-CD1 4.02Å; K27-L31 WeakPolarHBondContact O-CB 3.39Å; K27-L31 VanDerWaalsContact O-CG 3.31Å; K27-L31 WeakPolarHBondContact O-CG 3.48Å; K27-L31 PolarHBondContact O-N 3.13Å; K27-V39 HydrophobicContact CD-CG2 4.48Å; K27-V39 HydrophobicContact CG-CG2 4.46Å; K27-W282 HydrophobicContact CB-CD2 4.06Å; K27-W282 HydrophobicContact CB-CE3 4.04Å; K27-W282 HydrophobicContact CB-CH2 3.99Å; K27-W282 HydrophobicContact CB-CZ2 3.93Å; K27-W282 HydrophobicContact CB-CZ3 3.99Å; K27-W282 HydrophobicContact CD-CD2 4.22Å; K27-W282 HydrophobicContact CD-CE3 4.42Å; K27-W282 HydrophobicContact CD-CG 4.33Å; K27-W282 HydrophobicContact CG-CD2 4.05Å; K27-W282 HydrophobicContact CG-CE3 3.84Å; K27-W282 HydrophobicContact CG-CZ3 4.13Å
28D85.9Confident76.1Confident85 Ų8571.4 Ų71.446%0.45540%0.399SS..Hα-helixtrans-64-43.3-179.7-68-15.3000111.6E24 M26 L30 L31 Q32E24-D28 PolarHBondContact O-N 2.99Å; M26-D28 VanDerWaalsContact C-N 3.34Å; D28-L30 VanDerWaalsContact C-N 3.34Å; D28-L30 PolarHBondContact O-N 2.89Å; D28-L31 PolarHBondContact O-N 3.42Å; D28-Q32 VanDerWaalsContact O-CB 3.27Å; D28-Q32 WeakPolarHBondContact O-CB 3.46Å; D28-Q32 PolarHBondContact O-N 3.11Å
29A83.4Confident78.3Confident43 Ų4369 Ų6936%0.35538%0.381SS..Hα-helixtrans-61.6-39.4176.400000112.8D25 M26 K27 K33D25-A29 VanDerWaalsContact O-CB 3.29Å; D25-A29 WeakPolarHBondContact O-CB 3.38Å; D25-A29 PolarHBondContact O-N 2.9Å; M26-A29 PolarHBondContact O-N 2.76Å; K27-A29 PolarHBondContact O-N 3.13Å; A29-K33 VanDerWaalsContact O-CB 3.29Å; A29-K33 WeakPolarHBondContact O-CB 3.35Å; A29-K33 PolarHBondContact O-N 2.89Å; A29-K33 VanDerWaalsContact O-N 3.11Å
30L85.3Confident80.5Confident1 Ų167.2 Ų67.21%0.00536%0.36CS..Hα-helixtrans-68.5-46.6177-77.2161.8000111.6M26 K27 D28 K33 L34 W282 I326 F343 M346M26-L30 HydrophobicContact CG-CD1 3.85Å; M26-L30 WeakPolarHBondContact O-CB 3.36Å; M26-L30 WeakPolarHBondContact O-CD1 3.41Å; M26-L30 WeakPolarHBondContact O-CG 3.43Å; M26-L30 PolarHBondContact O-N 3.26Å; M26-L30 HydrophobicContact SD-CD1 4.26Å; K27-L30 PolarHBondContact O-N 3.31Å; D28-L30 VanDerWaalsContact C-N 3.34Å; D28-L30 PolarHBondContact O-N 2.89Å; L30-K33 PolarHBondContact O-N 2.94Å; L30-L34 WeakPolarHBondContact O-CB 3.14Å; L30-L34 VanDerWaalsContact O-CG 3.27Å; L30-L34 WeakPolarHBondContact O-CG 3.29Å; L30-L34 PolarHBondContact O-N 3.37Å; L30-W282 HydrophobicContact CD1-CH2 3.38Å; L30-W282 HydrophobicContact CD1-CZ3 3.83Å; L30-I326 HydrophobicContact CD2-CD1 4.01Å; L30-F343 HydrophobicContact CD2-CB 4.38Å; L30-F343 HydrophobicContact CD2-CD1 3.33Å; L30-F343 HydrophobicContact CD2-CD2 4.21Å; L30-F343 HydrophobicContact CD2-CE1 3.36Å; L30-F343 HydrophobicContact CD2-CE2 4.28Å; L30-F343 HydrophobicContact CD2-CG 3.71Å; L30-F343 HydrophobicContact CD2-CZ 3.83Å; L30-F343 HydrophobicContact CG-CD1 4.46Å; L30-F343 HydrophobicContact CG-CE1 4.46Å; L30-M346 HydrophobicContact CD1-CE 4.45Å; L30-M346 HydrophobicContact CD2-CE 4.27Å
31L88.3Confident82.4Confident12 Ų1273.5 Ų73.56%0.06338%0.382CS..Hα-helixtrans-62.3-47.4179-72.9-179.7000111.6K27 D28 K33 L34 G35 L36 V39K27-L31 HydrophobicContact CG-CD1 4.02Å; K27-L31 WeakPolarHBondContact O-CB 3.39Å; K27-L31 VanDerWaalsContact O-CG 3.31Å; K27-L31 WeakPolarHBondContact O-CG 3.48Å; K27-L31 PolarHBondContact O-N 3.13Å; D28-L31 PolarHBondContact O-N 3.42Å; L31-K33 VanDerWaalsContact C-N 3.3Å; L31-K33 PolarHBondContact O-N 3.06Å; L31-L34 CarbonylContact O-C 3.5Å; L31-L34 PolarHBondContact O-N 3.32Å; L31-L34 VanDerWaalsContact O-N 3.13Å; L31-G35 PolarHBondContact O-N 3.42Å; L31-L36 CarbonylContact C-O 3.56Å; L31-L36 WeakPolarHBondContact CB-O 3.23Å; L31-L36 HydrophobicContact CD2-CB 3.9Å; L31-L36 HydrophobicContact CD2-CD1 4.45Å; L31-L36 PolarHBondContact O-N 2.67Å; L31-V39 HydrophobicContact CD1-CG2 4.11Å; L31-V39 HydrophobicContact CD2-CG2 4.27Å
32Q87.8Confident83.7Confident166 Ų16669.1 Ų69.178%0.77636%0.363SS*.Hα-helixtrans-58.7-42.3176.4-171.8-174.616.600111.7D28 L34 G35D28-Q32 VanDerWaalsContact O-CB 3.27Å; D28-Q32 WeakPolarHBondContact O-CB 3.46Å; D28-Q32 PolarHBondContact O-N 3.11Å; Q32-L34 VanDerWaalsContact C-N 3.28Å; Q32-L34 PolarHBondContact O-N 2.95Å; Q32-G35 PolarHBondContact O-N 3.02Å
33K83.7Confident84Confident126 Ų12670.8 Ų70.855%0.54837%0.367SS..Hα-helixtrans-67-31.9179.6-174.559.7175.1-177.80112.7A29 L30 L31 G35 F343A29-K33 VanDerWaalsContact O-CB 3.29Å; A29-K33 WeakPolarHBondContact O-CB 3.35Å; A29-K33 PolarHBondContact O-N 2.89Å; A29-K33 VanDerWaalsContact O-N 3.11Å; L30-K33 PolarHBondContact O-N 2.94Å; L31-K33 VanDerWaalsContact C-N 3.3Å; L31-K33 PolarHBondContact O-N 3.06Å; K33-G35 VanDerWaalsContact C-N 3.34Å; K33-F343 HydrophobicContact CB-CD1 3.97Å; K33-F343 HydrophobicContact CB-CE1 3.94Å; K33-F343 HydrophobicContact CG-CD1 3.71Å; K33-F343 HydrophobicContact CG-CE1 3.86Å
34L83.3Confident84.1Confident34 Ų3473.6 Ų73.618%0.17838%0.378CS..Hα-helixtrans-84.5-8.9177.7-68177.1000113.4L30 L31 Q32 L36 W286 Y328 F343L30-L34 WeakPolarHBondContact O-CB 3.14Å; L30-L34 VanDerWaalsContact O-CG 3.27Å; L30-L34 WeakPolarHBondContact O-CG 3.29Å; L30-L34 PolarHBondContact O-N 3.37Å; L31-L34 CarbonylContact O-C 3.5Å; L31-L34 PolarHBondContact O-N 3.32Å; L31-L34 VanDerWaalsContact O-N 3.13Å; Q32-L34 VanDerWaalsContact C-N 3.28Å; Q32-L34 PolarHBondContact O-N 2.95Å; L34-L36 HydrophobicContact CB-CB 4.35Å; L34-L36 HydrophobicContact CB-CD1 3.77Å; L34-L36 HydrophobicContact CB-CG 3.75Å; L34-L36 HydrophobicContact CD1-CD1 3.84Å; L34-L36 HydrophobicContact CG-CD1 4.45Å; L34-L36 PolarHBondContact O-N 3.5Å; L34-W286 HydrophobicContact CD1-CH2 3.73Å; L34-W286 HydrophobicContact CD1-CZ3 3.59Å; L34-Y328 HydrophobicContact CD1-CD2 4.17Å; L34-Y328 HydrophobicContact CD1-CE2 3.96Å; L34-Y328 HydrophobicContact CD2-CD2 4.41Å; L34-Y328 HydrophobicContact CD2-CE1 4.01Å; L34-Y328 HydrophobicContact CD2-CE2 3.48Å; L34-Y328 VanDerWaalsContact CD2-CE2 3.48Å; L34-Y328 VanDerWaalsContact CD2-OH 3.23Å; L34-Y328 WeakPolarHBondContact CD2-OH 3.36Å; L34-Y328 HydrophobicContact CG-CE2 4.35Å; L34-F343 HydrophobicContact CD1-CE1 4.35Å; L34-F343 HydrophobicContact CD1-CZ 4.03Å; L34-F343 HydrophobicContact CD2-CE1 4.02Å; L34-F343 HydrophobicContact CD2-CZ 3.6Å; L34-F343 HydrophobicContact CG-CE1 3.87Å; L34-F343 HydrophobicContact CG-CZ 3.8Å
35G83.3Confident83.9Confident62 Ų6276.4 Ų76.464%0.63938%0.384SS*.THydrogen-bonded Turntrans62.632.4-171.800000112.1L31 Q32 K33L31-G35 PolarHBondContact O-N 3.42Å; Q32-G35 PolarHBondContact O-N 3.02Å; K33-G35 VanDerWaalsContact C-N 3.34Å
36L82.9Confident83.6Confident44 Ų4475.6 Ų75.623%0.2338%0.38CS..  trans-103.7127.3177.3-64.5175.1000109L31 L34 P40L31-L36 CarbonylContact C-O 3.56Å; L31-L36 WeakPolarHBondContact CB-O 3.23Å; L31-L36 HydrophobicContact CD2-CB 3.9Å; L31-L36 HydrophobicContact CD2-CD1 4.45Å; L31-L36 PolarHBondContact O-N 2.67Å; L34-L36 HydrophobicContact CB-CB 4.35Å; L34-L36 HydrophobicContact CB-CD1 3.77Å; L34-L36 HydrophobicContact CB-CG 3.75Å; L34-L36 HydrophobicContact CD1-CD1 3.84Å; L34-L36 HydrophobicContact CG-CD1 4.45Å; L34-L36 PolarHBondContact O-N 3.5Å; L36-P40 HydrophobicContact CD1-CG 3.8Å
37D84.3Confident83Confident168 Ų16878 Ų7890%0.89839%0.393SS*.SBendtrans-76.9-26.4176.6-59.9-43.7000112.2
38E87.4Confident82.3Confident126 Ų12682.3 Ų82.359%0.58941%0.413SS*.SBendtrans-138.2157.9179.5-67.6-173.4-178.800111.6K41E38-K41 IonicContact OE2-NZ 3.38Å; E38-K41 PolarHBondContact OE2-NZ 3.28Å
39V87.5Confident81.4Confident37 Ų3785.3 Ų85.322%0.22443%0.429CS..  trans-60.1132173.6178.80000110.4K27 L31 K41 W282K27-V39 HydrophobicContact CD-CG2 4.48Å; K27-V39 HydrophobicContact CG-CG2 4.46Å; L31-V39 HydrophobicContact CD1-CG2 4.11Å; L31-V39 HydrophobicContact CD2-CG2 4.27Å; V39-K41 PolarHBondContact O-N 3.41Å; V39-W282 VanDerWaalsContact CG1-O 3.29Å; V39-W282 WeakPolarHBondContact CG1-O 3.34Å; V39-W282 HydrophobicContact CG2-CB 4.41Å; V39-W282 HydrophobicContact CG2-CE3 4.39Å
40P86.1Confident81.1Confident18 Ų1885.6 Ų85.612%0.11743%0.425CS..  trans-55125175.9-27.735.9000112.2L36 I42 W286L36-P40 HydrophobicContact CD1-CG 3.8Å; P40-I42 HydrophobicContact CB-CD1 4.44Å; P40-I42 HydrophobicContact CB-CG1 3.94Å; P40-I42 PolarHBondContact O-N 2.92Å; P40-W286 HydrophobicContact CB-CB 4.31Å; P40-W286 HydrophobicContact CB-CG 4.42Å; P40-W286 HydrophobicContact CG-CD2 4.18Å; P40-W286 HydrophobicContact CG-CE3 4.14Å; P40-W286 HydrophobicContact CG-CG 4.39Å
41K84.9Confident80.8Confident157 Ų15791.4 Ų91.468%0.68346%0.46SS*.  trans-78.164.4179.4-62.5178.2-176166.20111E38 V39E38-K41 IonicContact OE2-NZ 3.38Å; E38-K41 PolarHBondContact OE2-NZ 3.28Å; V39-K41 PolarHBondContact O-N 3.41Å
42I84.3Confident80.5Confident11 Ų1193 Ų936%0.05647%0.471CS..  trans-90.4133176.5-52.1-60.6000109.6P40 D46 L47 Y285 W286 L329 T336P40-I42 HydrophobicContact CB-CD1 4.44Å; P40-I42 HydrophobicContact CB-CG1 3.94Å; P40-I42 PolarHBondContact O-N 2.92Å; I42-D46 HydrophobicContact CG2-CB 3.9Å; I42-L47 HydrophobicContact CG2-CD1 3.92Å; I42-Y285 WeakPolarHBondContact CG2-O 3.27Å; I42-Y285 WeakPolarHBondContact O-CB 3.34Å; I42-W286 HydrophobicContact CB-CB 4.21Å; I42-W286 HydrophobicContact CG1-CB 3.77Å; I42-L329 HydrophobicContact CD1-CB 4.39Å; I42-L329 HydrophobicContact CG1-CB 4.24Å; I42-L329 HydrophobicContact CG2-CD1 3.88Å; I42-T336 HydrophobicContact CD1-CG2 3.83Å
43Q80.9Confident80.6Confident96 Ų9687.6 Ų87.645%0.44945%0.449SS..  trans-103.6158.4179-62.9-177.423.200110.8R45 D46 L47Q43-R45 HydrophobicContact CB-CG 4.03Å; Q43-R45 PolarHBondContact O-N 2.7Å; Q43-R45 VanDerWaalsContact O-N 3.13Å; Q43-D46 PolarHBondContact N-OD2 3.07Å; Q43-D46 WeakPolarHBondContact O-CB 3.29Å; Q43-D46 PolarHBondContact O-N 3.2Å; Q43-L47 VanDerWaalsContact O-CD1 3.29Å; Q43-L47 WeakPolarHBondContact O-CD1 3.48Å
44K76.5Confident80.7Confident141 Ų14184.9 Ų84.961%0.61345%0.451SS*.THydrogen-bonded Turntrans-51.6-38.8178.5-172.7179.3176.6-174.90113.5D46 L47 Y285K44-D46 PolarHBondContact O-N 3.02Å; K44-L47 PolarHBondContact O-N 2.98Å; K44-L47 VanDerWaalsContact O-N 3.13Å; K44-Y285 HydrophobicContact CB-CD1 4.41Å; K44-Y285 HydrophobicContact CB-CE1 4.12Å
45R77Confident81Confident154 Ų15489.6 Ų89.658%0.58147%0.471SS*.Hα-helixtrans-59.2-29.9177.768.7-174.5-178.8-165.3-2.3113.6Q43 L47 E48Q43-R45 HydrophobicContact CB-CG 4.03Å; Q43-R45 PolarHBondContact O-N 2.7Å; Q43-R45 VanDerWaalsContact O-N 3.13Å; R45-L47 PolarHBondContact O-N 2.88Å; R45-E48 PolarHBondContact O-N 2.94Å
46D74Confident81.1Confident57 Ų5787.5 Ų87.531%0.30545%0.446SS..Hα-helixtrans-73.2-16.3-177.7-53.3-38.5000111.3I42 Q43 K44I42-D46 HydrophobicContact CG2-CB 3.9Å; Q43-D46 PolarHBondContact N-OD2 3.07Å; Q43-D46 WeakPolarHBondContact O-CB 3.29Å; Q43-D46 PolarHBondContact O-N 3.2Å; K44-D46 PolarHBondContact O-N 3.02Å
47L70.5Confident80.9Confident52 Ų5291.2 Ų91.227%0.27246%0.46SS..Hα-helixtrans-89.4-21.3176.4-69.876000113I42 Q43 K44 R45 N49 L50 Y285I42-L47 HydrophobicContact CG2-CD1 3.92Å; Q43-L47 VanDerWaalsContact O-CD1 3.29Å; Q43-L47 WeakPolarHBondContact O-CD1 3.48Å; K44-L47 PolarHBondContact O-N 2.98Å; K44-L47 VanDerWaalsContact O-N 3.13Å; R45-L47 PolarHBondContact O-N 2.88Å; L47-N49 VanDerWaalsContact C-N 3.28Å; L47-N49 PolarHBondContact O-N 3.24Å; L47-L50 WeakPolarHBondContact O-CB 3.27Å; L47-L50 PolarHBondContact O-N 3.33Å; L47-Y285 WeakPolarHBondContact CD1-O 3.29Å
48E70.2Confident80.9Confident138 Ų13888.2 Ų88.265%0.64544%0.444SS*.Hα-helixtrans-64.9-31.2-170.5-69.7178.3176.100112.8R45R45-E48 PolarHBondContact O-N 2.94Å
49N68.4Low80.9Confident148 Ų14887.2 Ų87.279%0.79144%0.437SS*.THydrogen-bonded Turntrans-113.317.4178.5-64.3-49.9000113L47 V51L47-N49 VanDerWaalsContact C-N 3.28Å; L47-N49 PolarHBondContact O-N 3.24Å; N49-V51 PolarHBondContact O-N 3.28Å
50L75.8Confident80.5Confident50 Ų5086.5 Ų86.526%0.26243%0.431SS..  trans-74.5112.8-175.6-174.371.5000111.1L47 I288 L329 I338L47-L50 WeakPolarHBondContact O-CB 3.27Å; L47-L50 PolarHBondContact O-N 3.33Å; L50-I288 HydrophobicContact CD2-CD1 3.74Å; L50-I288 HydrophobicContact CD2-CG1 4.11Å; L50-L329 HydrophobicContact CD1-CD2 3.85Å; L50-L329 HydrophobicContact CD2-CD1 4.25Å; L50-L329 HydrophobicContact CD2-CD2 4.1Å; L50-I338 HydrophobicContact CD1-CD1 3.73Å; L50-I338 HydrophobicContact CD1-CG1 4.03Å; L50-I338 HydrophobicContact CD2-CD1 4.31Å; L50-I338 HydrophobicContact CG-CD1 4.04Å
51V79Confident80Confident123 Ų12389.3 Ų89.375%0.74545%0.445SS*.  trans-104.3115.7172.7-178.30000109.3N49 P53N49-V51 PolarHBondContact O-N 3.28Å; V51-P53 VanDerWaalsContact O-CD 3.25Å; V51-P53 WeakPolarHBondContact O-CD 3.31Å
52V82.7Confident79.9Confident46 Ų4685.2 Ų85.228%0.27944%0.435SS..  trans-72.6117.6176.3-177.20000109.8I56 K57 M327 I338V52-I56 HydrophobicContact CG1-CB 4.38Å; V52-I56 HydrophobicContact CG1-CG2 4.26Å; V52-K57 HydrophobicContact CG1-CB 4.21Å; V52-M327 HydrophobicContact CG1-CE 4.38Å; V52-M327 HydrophobicContact CG1-SD 3.8Å; V52-M327 HydrophobicContact CG2-CE 4.35Å; V52-I338 HydrophobicContact CB-CD1 4.21Å; V52-I338 HydrophobicContact CG1-CD1 4.39Å; V52-I338 HydrophobicContact CG2-CD1 3.93Å
53P89.8Confident80Confident51 Ų5186.2 Ų86.233%0.33144%0.44SS..  trans-61.2144.8179-2435.1000112.4V51 H55 I56 K57V51-P53 VanDerWaalsContact O-CD 3.25Å; V51-P53 WeakPolarHBondContact O-CD 3.31Å; P53-H55 VanDerWaalsContact C-N 3.26Å; P53-H55 WeakPolarHBondContact CB-CE1 3.41Å; P53-H55 WeakPolarHBondContact CB-ND1 3.46Å; P53-H55 PolarHBondContact O-N 2.78Å; P53-I56 HydrophobicContact CB-CG1 4.19Å; P53-I56 HydrophobicContact CG-CG1 4.28Å; P53-I56 PolarHBondContact O-N 2.93Å; P53-I56 VanDerWaalsContact O-N 3.07Å; P53-K57 PolarHBondContact O-N 2.85Å
54A85.2Confident79.6Confident70 Ų7083.4 Ų83.458%0.57943%0.428SS*.Hα-helixtrans-57.4-37.8-176.800000113.2K57 N58A54-K57 PolarHBondContact O-N 3.02Å; A54-N58 WeakPolarHBondContact O-CB 3.48Å; A54-N58 PolarHBondContact O-N 2.81Å; A54-N58 PolarHBondContact O-ND2 2.89Å
55H90Very high79.3Confident132 Ų13284.3 Ų84.361%0.61143%0.432SS*.Hα-helixtrans-66-38.2178.868.7-88.9000112.4P53 K59P53-H55 VanDerWaalsContact C-N 3.26Å; P53-H55 WeakPolarHBondContact CB-CE1 3.41Å; P53-H55 WeakPolarHBondContact CB-ND1 3.46Å; P53-H55 PolarHBondContact O-N 2.78Å; H55-K59 WeakPolarHBondContact O-CB 3.25Å; H55-K59 PolarHBondContact O-N 3.12Å
56I86.5Confident79.4Confident19 Ų1979.3 Ų79.310%0.09742%0.419CS..Hα-helixtrans-68.4-46175.8-61.3-58.6000110.7V52 P53 N58 K59 Y60 M327 I338 V340V52-I56 HydrophobicContact CG1-CB 4.38Å; V52-I56 HydrophobicContact CG1-CG2 4.26Å; P53-I56 HydrophobicContact CB-CG1 4.19Å; P53-I56 HydrophobicContact CG-CG1 4.28Å; P53-I56 PolarHBondContact O-N 2.93Å; P53-I56 VanDerWaalsContact O-N 3.07Å; I56-N58 VanDerWaalsContact C-N 3.31Å; I56-N58 PolarHBondContact O-N 3.18Å; I56-K59 WeakPolarHBondContact O-CB 3.41Å; I56-K59 PolarHBondContact O-N 2.87Å; I56-Y60 PolarHBondContact O-N 3.37Å; I56-M327 HydrophobicContact CG2-SD 3.98Å; I56-I338 HydrophobicContact CG2-CB 4.42Å; I56-I338 HydrophobicContact CG2-CG2 3.82Å; I56-V340 HydrophobicContact CG2-CG2 3.63Å
57K77.3Confident79.5Confident121 Ų12177 Ų7753%0.52641%0.407SS..Hα-helixtrans-56.7-45.7175.3-175.9178180176.70111.5V52 P53 A54 Y60 L61V52-K57 HydrophobicContact CG1-CB 4.21Å; P53-K57 PolarHBondContact O-N 2.85Å; A54-K57 PolarHBondContact O-N 3.02Å; K57-Y60 PolarHBondContact O-N 3.12Å; K57-L61 HydrophobicContact CG-CD1 4.28Å; K57-L61 WeakPolarHBondContact O-CG 3.39Å; K57-L61 PolarHBondContact O-N 3.05Å
58N84Confident79.4Confident105 Ų10579.4 Ų79.456%0.56142%0.416SS*.Hα-helixtrans-66-38.9178.3-70.9-18.8000112.2A54 I56 L61 S62A54-N58 WeakPolarHBondContact O-CB 3.48Å; A54-N58 PolarHBondContact O-N 2.81Å; A54-N58 PolarHBondContact O-ND2 2.89Å; I56-N58 VanDerWaalsContact C-N 3.31Å; I56-N58 PolarHBondContact O-N 3.18Å; N58-L61 PolarHBondContact O-N 2.93Å; N58-S62 WeakPolarHBondContact O-CB 3.32Å; N58-S62 PolarHBondContact O-N 3.08Å
59K89Confident79.1Confident105 Ų10575.2 Ų75.246%0.45740%0.402SS..Hα-helixtrans-58.2-49.8172.8-176.3-176.8177.1-169.10110.8H55 I56 S62 M63 V340H55-K59 WeakPolarHBondContact O-CB 3.25Å; H55-K59 PolarHBondContact O-N 3.12Å; I56-K59 WeakPolarHBondContact O-CB 3.41Å; I56-K59 PolarHBondContact O-N 2.87Å; K59-S62 PolarHBondContact O-N 3.05Å; K59-M63 HydrophobicContact CG-SD 4.19Å; K59-M63 WeakPolarHBondContact O-CG 3.42Å; K59-M63 PolarHBondContact O-N 3.23Å; K59-V340 HydrophobicContact CD-CB 4.38Å; K59-V340 PolarHBondContact NZ-O 3.05Å
60Y78.9Confident79.2Confident22 Ų2272.8 Ų72.89%0.08638%0.382CS..Hα-helixtrans-59.4-47.5177.3179.6-116.6000112.7I56 K57 S62 M63 L64 E289 P325 M327 V340I56-Y60 PolarHBondContact O-N 3.37Å; K57-Y60 PolarHBondContact O-N 3.12Å; Y60-S62 VanDerWaalsContact C-N 3.31Å; Y60-S62 PolarHBondContact O-N 3.09Å; Y60-M63 PolarHBondContact O-N 3.28Å; Y60-L64 HydrophobicContact CD1-CD1 3.96Å; Y60-L64 HydrophobicContact CD2-CG 4.49Å; Y60-L64 HydrophobicContact CE1-CD1 3.45Å; Y60-L64 VanDerWaalsContact CE1-CD1 3.45Å; Y60-L64 HydrophobicContact CE1-CG 4.16Å; Y60-L64 HydrophobicContact CE2-CD1 4.29Å; Y60-L64 HydrophobicContact CE2-CD2 4.25Å; Y60-L64 HydrophobicContact CE2-CG 4.11Å; Y60-L64 WeakPolarHBondContact O-CG 3.45Å; Y60-L64 PolarHBondContact O-N 2.97Å; Y60-E289 HydrophobicContact CE1-CB 3.75Å; Y60-E289 HydrophobicContact CE1-CG 4.17Å; Y60-E289 HydrophobicContact CE2-CB 4.34Å; Y60-E289 WeakPolarHBondContact OH-CB 3.5Å; Y60-P325 HydrophobicContact CE2-CB 4.2Å; Y60-M327 HydrophobicContact CD2-CB 4.22Å; Y60-M327 HydrophobicContact CE2-CB 4.47Å; Y60-V340 HydrophobicContact CD2-CG1 3.81Å; Y60-V340 HydrophobicContact CG-CG1 4.45Å
61L75.5Confident78.6Confident78 Ų7873.6 Ų73.641%0.40838%0.381SS..Hα-helixtrans-61.8-36.8177.5-69.9174.5000112.9K57 N58 L64 K65K57-L61 HydrophobicContact CG-CD1 4.28Å; K57-L61 WeakPolarHBondContact O-CG 3.39Å; K57-L61 PolarHBondContact O-N 3.05Å; N58-L61 PolarHBondContact O-N 2.93Å; L61-L64 HydrophobicContact CD2-CD1 4.49Å; L61-L64 PolarHBondContact O-N 3.11Å; L61-K65 WeakPolarHBondContact O-CG 3.35Å; L61-K65 PolarHBondContact O-N 3.26Å
62S83.5Confident77.5Confident70 Ų7077 Ų7749%0.4938%0.381SS..Hα-helixtrans-66.8-41.8175.9-169.40000111.9N58 K59 Y60 K65 T66N58-S62 WeakPolarHBondContact O-CB 3.32Å; N58-S62 PolarHBondContact O-N 3.08Å; K59-S62 PolarHBondContact O-N 3.05Å; Y60-S62 VanDerWaalsContact C-N 3.31Å; Y60-S62 PolarHBondContact O-N 3.09Å; S62-K65 PolarHBondContact O-N 2.82Å; S62-T66 PolarHBondContact O-N 2.88Å; S62-T66 PolarHBondContact O-OG1 2.96Å
63M85.2Confident75.9Confident32 Ų3284.1 Ų84.116%0.15840%0.403CS..Hα-helixtrans-63.1-43.7174.3-69.7175.165.200111.3K59 Y60 K65 T66 H67 P325 V340 E342K59-M63 HydrophobicContact CG-SD 4.19Å; K59-M63 WeakPolarHBondContact O-CG 3.42Å; K59-M63 PolarHBondContact O-N 3.23Å; Y60-M63 PolarHBondContact O-N 3.28Å; M63-K65 PolarHBondContact O-N 2.67Å; M63-T66 PolarHBondContact O-N 2.81Å; M63-H67 VanDerWaalsContact O-CB 3.27Å; M63-H67 WeakPolarHBondContact O-CB 3.37Å; M63-H67 PolarHBondContact O-N 3.25Å; M63-P325 HydrophobicContact CB-CB 4.22Å; M63-P325 HydrophobicContact CB-CG 4.42Å; M63-P325 HydrophobicContact CE-CB 4.41Å; M63-V340 HydrophobicContact CE-CG1 4.09Å; M63-V340 HydrophobicContact SD-CB 4.39Å; M63-V340 HydrophobicContact SD-CG1 3.53Å; M63-V340 VanDerWaalsContact SD-CG1 3.53Å; M63-E342 HydrophobicContact CE-CB 4.02Å; M63-E342 HydrophobicContact CE-CG 3.57Å
64L72.8Confident74Confident38 Ų3885.9 Ų85.920%0.19940%0.403CS..Hα-helixtrans-59.4-44.9174.8-74.9178.6000113Y60 L61 T66 H67 H68 P325Y60-L64 HydrophobicContact CD1-CD1 3.96Å; Y60-L64 HydrophobicContact CD2-CG 4.49Å; Y60-L64 HydrophobicContact CE1-CD1 3.45Å; Y60-L64 VanDerWaalsContact CE1-CD1 3.45Å; Y60-L64 HydrophobicContact CE1-CG 4.16Å; Y60-L64 HydrophobicContact CE2-CD1 4.29Å; Y60-L64 HydrophobicContact CE2-CD2 4.25Å; Y60-L64 HydrophobicContact CE2-CG 4.11Å; Y60-L64 WeakPolarHBondContact O-CG 3.45Å; Y60-L64 PolarHBondContact O-N 2.97Å; L61-L64 HydrophobicContact CD2-CD1 4.49Å; L61-L64 PolarHBondContact O-N 3.11Å; L64-T66 VanDerWaalsContact C-N 3.33Å; L64-T66 PolarHBondContact O-N 3.29Å; L64-H67 PolarHBondContact O-N 3.23Å; L64-H68 WeakPolarHBondContact O-CB 3.38Å; L64-H68 PolarHBondContact O-N 3.44Å; L64-P325 HydrophobicContact CD2-CB 4.35Å; L64-P325 HydrophobicContact CD2-CG 4.3Å
65K71.2Confident72Confident159 Ų15986.4 Ų86.469%0.69140%0.402SS*.Hα-helixtrans-59.8-45176.3-75.3177.6-177.9-178.70111.4L61 S62 M63 H68 S69L61-K65 WeakPolarHBondContact O-CG 3.35Å; L61-K65 PolarHBondContact O-N 3.26Å; S62-K65 PolarHBondContact O-N 2.82Å; M63-K65 PolarHBondContact O-N 2.67Å; K65-H68 PolarHBondContact O-N 2.71Å; K65-S69 WeakPolarHBondContact O-CB 3.42Å; K65-S69 PolarHBondContact O-N 3.14Å
66T78.9Confident69.7Low50 Ų5085.2 Ų85.231%0.30740%0.4SS..Hα-helixtrans-64.7-47.1178.6-54.70000110.8S62 M63 L64 H68 S69 R70S62-T66 PolarHBondContact O-N 2.88Å; S62-T66 PolarHBondContact O-OG1 2.96Å; M63-T66 PolarHBondContact O-N 2.81Å; L64-T66 VanDerWaalsContact C-N 3.33Å; L64-T66 PolarHBondContact O-N 3.29Å; T66-H68 PolarHBondContact O-N 2.93Å; T66-S69 PolarHBondContact O-N 3.44Å; T66-S69 PolarHBondContact O-OG 3.26Å; T66-R70 HydrophobicContact CG2-CG 4.48Å; T66-R70 WeakPolarHBondContact O-CG 3.42Å; T66-R70 PolarHBondContact O-N 3.01Å
67H75.3Confident67.5Low9 Ų985.7 Ų85.74%0.04240%0.404CS..Hα-helixtrans-55.9-49.8175.4170.4-107.3000111.9M63 L64 S69 R70 R71 P323 P325M63-H67 VanDerWaalsContact O-CB 3.27Å; M63-H67 WeakPolarHBondContact O-CB 3.37Å; M63-H67 PolarHBondContact O-N 3.25Å; L64-H67 PolarHBondContact O-N 3.23Å; H67-S69 VanDerWaalsContact C-N 3.34Å; H67-S69 PolarHBondContact O-N 3.18Å; H67-R70 PolarHBondContact O-N 2.9Å; H67-R71 PolarHBondContact O-N 3.43Å; H67-P323 PolarHBondContact CD2-O 2.96Å; H67-P323 PolarHBondContact NE2-O 3.45Å; H67-P325 HydrophobicContact CB-CG 3.84Å
68H67.4Low65.6Low102 Ų10284.7 Ų84.747%0.47241%0.412SS..Hα-helixtrans-61.3-40.3176.3-70.7173.8000112.5L64 K65 T66 R71 R72L64-H68 WeakPolarHBondContact O-CB 3.38Å; L64-H68 PolarHBondContact O-N 3.44Å; K65-H68 PolarHBondContact O-N 2.71Å; T66-H68 PolarHBondContact O-N 2.93Å; H68-R71 PolarHBondContact O-N 3.34Å; H68-R72 WeakPolarHBondContact O-CB 3.45Å; H68-R72 WeakPolarHBondContact O-CG 3.2Å; H68-R72 PolarHBondContact O-N 2.92Å
69S65.4Low63.7Low50 Ų5083.1 Ų83.135%0.3540%0.403SS..Hα-helixtrans-64.9-40176.181.30000112.2K65 T66 H67 R72 R73K65-S69 WeakPolarHBondContact O-CB 3.42Å; K65-S69 PolarHBondContact O-N 3.14Å; T66-S69 PolarHBondContact O-N 3.44Å; T66-S69 PolarHBondContact O-OG 3.26Å; H67-S69 VanDerWaalsContact C-N 3.34Å; H67-S69 PolarHBondContact O-N 3.18Å; S69-R72 PolarHBondContact O-N 3.38Å; S69-R73 WeakPolarHBondContact O-CB 3.3Å; S69-R73 WeakPolarHBondContact O-CG 3.29Å; S69-R73 PolarHBondContact O-N 3.21Å
70R69.4Low61.2Low97 Ų9782.8 Ų82.837%0.36641%0.41SS..Hα-helixtrans-66.4-44.7176.5-72.7175.3-175.9161.31.1110.6T66 H67 R73 R74 E342T66-R70 HydrophobicContact CG2-CG 4.48Å; T66-R70 WeakPolarHBondContact O-CG 3.42Å; T66-R70 PolarHBondContact O-N 3.01Å; H67-R70 PolarHBondContact O-N 2.9Å; R70-R73 CarbonylContact O-C 3.56Å; R70-R73 PolarHBondContact O-N 3.1Å; R70-R73 VanDerWaalsContact O-N 3.14Å; R70-R74 WeakPolarHBondContact O-CB 3.48Å; R70-R74 VanDerWaalsContact O-CG 3.28Å; R70-R74 WeakPolarHBondContact O-CG 3.29Å; R70-R74 PolarHBondContact O-N 3.4Å; R70-E342 IonicContact NH1-OE1 2.7Å; R70-E342 PolarHBondContact NH1-OE1 2.75Å; R70-E342 IonicContact NH1-OE2 3.9Å; R70-E342 PolarHBondContact NH1-OE2 3.41Å
71R64.1Low59.4Low66 Ų6684.7 Ų84.725%0.24944%0.436CS..Hα-helixtrans-59.6-46175.1-108.1-176.7159.8-162-19.4112.4H67 H68 R73 R74 S75 S322 E349H67-R71 PolarHBondContact O-N 3.43Å; H68-R71 PolarHBondContact O-N 3.34Å; R71-R73 VanDerWaalsContact C-N 3.25Å; R71-R73 PolarHBondContact O-N 2.99Å; R71-R74 PolarHBondContact O-N 3.04Å; R71-S75 PolarHBondContact O-N 3.45Å; R71-S75 PolarHBondContact O-OG 3.49Å; R71-S322 PolarHBondContact NE-OG 3.17Å; R71-E349 IonicContact CZ-OE1 2.99Å; R71-E349 IonicContact NE-OE1 3.32Å; R71-E349 PolarHBondContact NE-OE1 2.79Å; R71-E349 IonicContact NH2-OE1 2.91Å; R71-E349 PolarHBondContact NH2-OE1 3.43Å; R71-E349 IonicContact NH2-OE2 3.45Å
72R56.3Low57.8Low195 Ų19584.4 Ų84.474%0.73643%0.434SS*.Hα-helixtrans-63.2-28.9174.5-74.2-177.5-168.4-179.72.7113.5H68 S69 S75H68-R72 WeakPolarHBondContact O-CB 3.45Å; H68-R72 WeakPolarHBondContact O-CG 3.2Å; H68-R72 PolarHBondContact O-N 2.92Å; S69-R72 PolarHBondContact O-N 3.38Å; R72-S75 PolarHBondContact O-OG 3.21Å
73R48.4Very low55.8Low196 Ų19682.7 Ų82.774%0.7442%0.419SS*.Hα-helixtrans-81-35.3174-74.4179.7-177.9-169.81.6112.5S69 R70 R71 L76S69-R73 WeakPolarHBondContact O-CB 3.3Å; S69-R73 WeakPolarHBondContact O-CG 3.29Å; S69-R73 PolarHBondContact O-N 3.21Å; R70-R73 CarbonylContact O-C 3.56Å; R70-R73 PolarHBondContact O-N 3.1Å; R70-R73 VanDerWaalsContact O-N 3.14Å; R71-R73 VanDerWaalsContact C-N 3.25Å; R71-R73 PolarHBondContact O-N 2.99Å; R73-L76 PolarHBondContact O-N 2.82Å; R73-L76 VanDerWaalsContact O-O 3.06Å
74R49.6Very low53.8Low88 Ų8891.2 Ų91.233%0.33245%0.45SS..Hα-helixtrans-77.2-26.7-179.9-73.7179-166.2-176.51.3113.5R70 R71 L76R70-R74 WeakPolarHBondContact O-CB 3.48Å; R70-R74 VanDerWaalsContact O-CG 3.28Å; R70-R74 WeakPolarHBondContact O-CG 3.29Å; R70-R74 PolarHBondContact O-N 3.4Å; R71-R74 PolarHBondContact O-N 3.04Å; R74-L76 CarbonylContact O-C 3.55Å; R74-L76 PolarHBondContact O-N 3.46Å
75S43.4Very low52.1Low81 Ų8192.5 Ų92.557%0.56647%0.472SS*.THydrogen-bonded Turntrans-59.8-12.5167.754.90000112.9R71 R72R71-S75 PolarHBondContact O-N 3.45Å; R71-S75 PolarHBondContact O-OG 3.49Å; R72-S75 PolarHBondContact O-OG 3.21Å
76L41.4Very low50.7Low107 Ų10786.2 Ų86.256%0.5645%0.447SS*.SBendtrans-103.4107.7165.1-68158.3000107.9R73 R74R73-L76 PolarHBondContact O-N 2.82Å; R73-L76 VanDerWaalsContact O-O 3.06Å; R74-L76 CarbonylContact O-C 3.55Å; R74-L76 PolarHBondContact O-N 3.46Å
77P39.7Very low49Very low29 Ų2988.8 Ų88.819%0.18847%0.465CS..  trans-57.7145.3176.220.1-25.7000111L79 I82P77-L79 PolarHBondContact O-N 2.92Å; P77-I82 HydrophobicContact CB-CD1 4.18Å
78S38.3Very low47.6Very low100 Ų10090 Ų9070%0.69948%0.48SS*.  trans-64.198.7171.81580000110V80S78-V80 PolarHBondContact O-N 2.96Å; S78-V80 VanDerWaalsContact O-N 3.07Å
79L42.8Very low46.7Very low71 Ų7189.2 Ų89.237%0.37248%0.479SS..Hα-helixtrans-49.9-29.2-174.7-70.8166.2000115.7P77 G81 I82 L83 T121P77-L79 PolarHBondContact O-N 2.92Å; L79-G81 VanDerWaalsContact C-N 3.31Å; L79-G81 PolarHBondContact O-N 3.12Å; L79-I82 PolarHBondContact O-N 3.16Å; L79-L83 HydrophobicContact CB-CD1 3.88Å; L79-L83 WeakPolarHBondContact O-CB 3.44Å; L79-L83 VanDerWaalsContact O-CD1 3.23Å; L79-L83 WeakPolarHBondContact O-CD1 3.34Å; L79-L83 WeakPolarHBondContact O-CG 3.44Å; L79-L83 PolarHBondContact O-N 3.12Å; L79-T121 VanDerWaalsContact CD1-O 3.3Å; L79-T121 WeakPolarHBondContact CD1-O 3.3Å; L79-T121 HydrophobicContact CD2-CG2 3.91Å; L79-T121 WeakPolarHBondContact CD2-O 3.35Å
80V37.3Very low45.9Very low99 Ų9990.4 Ų90.460%0.649%0.492SS*.Hα-helixtrans-69.2-23.1-170.8-179.20000114.2S78 R84S78-V80 PolarHBondContact O-N 2.96Å; S78-V80 VanDerWaalsContact O-N 3.07Å; V80-R84 PolarHBondContact O-NH1 3.18Å
81G41.4Very low45.6Very low62 Ų6290 Ų9064%0.63950%0.497SS*.Hα-helixtrans-86.7-33.5-179.200000114.4L79L79-G81 VanDerWaalsContact C-N 3.31Å; L79-G81 PolarHBondContact O-N 3.12Å
82I41.1Very low46.1Very low71 Ų7187 Ų8736%0.36449%0.486SS..Hα-helixtrans-84.9-35.4-175.5-62.7171.8000110.9P77 L79 R84 G85 V86 L248P77-I82 HydrophobicContact CB-CD1 4.18Å; L79-I82 PolarHBondContact O-N 3.16Å; I82-R84 PolarHBondContact O-N 3.2Å; I82-R84 VanDerWaalsContact O-N 3.08Å; I82-G85 PolarHBondContact O-N 2.84Å; I82-V86 HydrophobicContact CG2-CG2 3.92Å; I82-L248 HydrophobicContact CG2-CD1 4.11Å
83L42.2Very low47.1Very low34 Ų3480.6 Ų80.618%0.17847%0.471CS..THydrogen-bonded Turntrans-68.1-8.1-174.3-69.5171.1000115.7L79 M122 Y246L79-L83 HydrophobicContact CB-CD1 3.88Å; L79-L83 WeakPolarHBondContact O-CB 3.44Å; L79-L83 VanDerWaalsContact O-CD1 3.23Å; L79-L83 WeakPolarHBondContact O-CD1 3.34Å; L79-L83 WeakPolarHBondContact O-CG 3.44Å; L79-L83 PolarHBondContact O-N 3.12Å; L83-M122 HydrophobicContact CD1-CB 3.9Å; L83-M122 HydrophobicContact CD1-CG 4.39Å; L83-M122 HydrophobicContact CD1-SD 3.56Å; L83-M122 VanDerWaalsContact CD1-SD 3.56Å; L83-M122 HydrophobicContact CD2-CB 4.2Å; L83-Y246 VanDerWaalsContact CD2-CB 3.44Å; L83-Y246 HydrophobicContact CD2-CD1 4Å; L83-Y246 HydrophobicContact CD2-CG 3.76Å
84R42.9Very low48.7Very low212 Ų21271.3 Ų71.380%0.844%0.436SS*.THydrogen-bonded Turntrans-83.4-12.2174.3-71.3-168.5175.195.1-4.2113.9V80 I82V80-R84 PolarHBondContact O-NH1 3.18Å; I82-R84 PolarHBondContact O-N 3.2Å; I82-R84 VanDerWaalsContact O-N 3.08Å
85G37.6Very low50.4Low65 Ų6573.1 Ų73.167%0.6745%0.448SS*.THydrogen-bonded Turntrans-120.5-13.4-174.700000115.9I82I82-G85 PolarHBondContact O-N 2.84Å
86V42.1Very low52.4Low27 Ų2771.5 Ų71.516%0.16443%0.43CS..SBendtrans-88.5118.7179.1-176.30000108.7I82 G88I82-V86 HydrophobicContact CG2-CG2 3.92Å; V86-G88 PolarHBondContact O-N 3.33Å; V86-G88 VanDerWaalsContact O-N 3.16Å
87P43.3Very low54.4Low104 Ų10470.2 Ų70.268%0.67543%0.426SS*.PPolyproline II helixtrans-61.3120.8171.324.9-29.9000108.1N89P87-N89 PolarHBondContact O-N 3.32Å
88G44.5Very low56.4Low34 Ų3472.3 Ų72.335%0.35143%0.431SS..PPolyproline II helixtrans-57.4130.3171.100000108.8V86 A90V86-G88 PolarHBondContact O-N 3.33Å; V86-G88 VanDerWaalsContact O-N 3.16Å; G88-A90 PolarHBondContact O-N 2.89Å
89N49.6Very low58.5Low85 Ų8569.6 Ų69.646%0.45541%0.412SS..EExtended strand (participates in β ladder)trans-70.9115.7174.6-80-32.9000107.8P87 T247P87-N89 PolarHBondContact O-N 3.32Å; N89-T247 PolarHBondContact ND2-OG1 3.16Å
90A48.5Very low60.4Low76 Ų7671 Ų7163%0.62842%0.42SS*.EExtended strand (participates in β ladder)trans15.8123.4168.900000118.8G88 I92G88-A90 PolarHBondContact O-N 2.89Å; A90-I92 PolarHBondContact O-N 2.77Å; A90-I92 VanDerWaalsContact O-N 3.09Å
91D62.6Low62.4Low87 Ų8769.6 Ų69.647%0.46541%0.412SS..EExtended strand (participates in β ladder)trans-36107.1171-59.7-47.6000113.2S93 E242 I244D91-S93 PolarHBondContact O-N 3.44Å; D91-E242 HydrophobicContact CB-CG 4.23Å; D91-I244 WeakPolarHBondContact OD1-CG1 3.22Å
92I74Confident64.6Low5 Ų569 Ų693%0.02640%0.396CS..EExtended strand (participates in β ladder)trans-74.4101.4170.3-57.3172.7000106.3A90 G94 F108 D109 M110 R113 L243 L245A90-I92 PolarHBondContact O-N 2.77Å; A90-I92 VanDerWaalsContact O-N 3.09Å; I92-G94 PolarHBondContact O-N 2.79Å; I92-F108 HydrophobicContact CG2-CB 4.33Å; I92-F108 HydrophobicContact CG2-CD1 4.14Å; I92-D109 WeakPolarHBondContact CG2-O 3.37Å; I92-M110 HydrophobicContact CD1-CE 4.37Å; I92-M110 HydrophobicContact CD1-SD 3.94Å; I92-R113 HydrophobicContact CD1-CB 3.72Å; I92-R113 HydrophobicContact CD1-CG 3.9Å; I92-R113 HydrophobicContact CG1-CB 4.34Å; I92-R113 HydrophobicContact CG1-CG 4.14Å; I92-L243 HydrophobicContact CB-CB 4.15Å; I92-L243 HydrophobicContact CB-CD2 4.49Å; I92-L243 WeakPolarHBondContact CB-O 3.43Å; I92-L243 HydrophobicContact CD1-CD2 4.12Å; I92-L243 PolarHBondContact N-O 3.34Å; I92-L243 PolarHBondContact O-N 3.05Å; I92-L245 HydrophobicContact CD1-CD1 3.43Å; I92-L245 VanDerWaalsContact CD1-CD1 3.43Å; I92-L245 HydrophobicContact CD1-CG 3.7Å
93S78.4Confident67Low59 Ų5970.5 Ų70.541%0.41340%0.397SS..EExtended strand (participates in β ladder)trans-70.8116.6175.368.60000109.5D91D91-S93 PolarHBondContact O-N 3.44Å
94G82.8Confident69.3Low1 Ų169.2 Ų69.21%0.0139%0.39CS..  trans-86.7176.8171.800000112.9I92 V107 P241I92-G94 PolarHBondContact O-N 2.79Å; G94-V107 CarbonylContact C-O 3.57Å; G94-V107 WeakPolarHBondContact CA-O 3.34Å; G94-P241 PolarHBondContact N-O 2.78Å; G94-P241 WeakPolarHBondContact O-CD 3.45Å
95E85.2Confident71.6Confident126 Ų12660.5 Ų60.559%0.58936%0.357SS*.EExtended strand (participates in β ladder)trans-123.5147.3172.1-61.3-170.9162.800110.2M106 V107E95-M106 CarbonylContact O-C 3.54Å; E95-M106 VanDerWaalsContact O-CA 3.27Å; E95-M106 WeakPolarHBondContact O-CA 3.38Å; E95-V107 HydrophobicContact CB-CG1 3.98Å; E95-V107 PolarHBondContact N-O 3.45Å; E95-V107 PolarHBondContact O-N 3.03Å
96Y84.3Confident74.1Confident47 Ų4757.4 Ų57.418%0.18433%0.325CS..EExtended strand (participates in β ladder)trans-82.7125172.5-64.4-82.6000109.8L104 R105 M106 L238 G239 P241Y96-L104 HydrophobicContact CD1-CB 4.43Å; Y96-L104 HydrophobicContact CE1-CB 4.31Å; Y96-L104 HydrophobicContact CE1-CD2 3.92Å; Y96-R105 CarbonylContact C-O 3.37Å; Y96-R105 WeakPolarHBondContact CA-O 3.39Å; Y96-M106 HydrophobicContact CD1-CG 3.52Å; Y96-M106 HydrophobicContact CD1-SD 4.29Å; Y96-M106 HydrophobicContact CE1-CG 3.52Å; Y96-M106 HydrophobicContact CE1-SD 3.66Å; Y96-M106 HydrophobicContact CG-CG 4.43Å; Y96-L238 HydrophobicContact CD2-CB 3.72Å; Y96-L238 HydrophobicContact CD2-CD1 4.34Å; Y96-L238 HydrophobicContact CE2-CB 3.6Å; Y96-L238 HydrophobicContact CG-CD1 4.5Å; Y96-G239 WeakPolarHBondContact CE2-O 3.11Å; Y96-G239 PolarHBondContact OH-O 2.7Å; Y96-P241 HydrophobicContact CE2-CG 4.46Å
97V83.3Confident76.4Confident80 Ų8057.5 Ų57.549%0.48533%0.326SS..EExtended strand (participates in β ladder)trans-75.5-42168.4-178.20000109.6R105 V107V97-R105 HydrophobicContact CB-CB 4.3Å; V97-R105 HydrophobicContact CB-CG 4.11Å; V97-R105 HydrophobicContact CG2-CG 4.27Å; V97-R105 PolarHBondContact N-O 3.25Å; V97-V107 HydrophobicContact CG2-CB 3.96Å; V97-V107 HydrophobicContact CG2-CG1 3.91Å
98Y83Confident78.6Confident73 Ų7352.5 Ų52.529%0.28629%0.294SS..EExtended strand (participates in β ladder)trans-157.4156.2169.774.3-92.2000110R103 R105 E207Y98-R103 HydrophobicContact CE2-CB 3.82Å; Y98-R105 HydrophobicContact CD1-CB 3.51Å; Y98-R105 HydrophobicContact CD1-CG 4.41Å; Y98-R105 HydrophobicContact CE1-CB 3.22Å; Y98-R105 HydrophobicContact CE1-CG 4.09Å; Y98-R105 HydrophobicContact CG-CB 4.33Å; Y98-R105 PolarHBondContact O-N 3.45Å; Y98-E207 PolarHBondContact OH-OE1 3.35Å
99S81.8Confident80.7Confident43 Ų4355.1 Ų55.130%0.30130%0.3SS..EExtended strand (participates in β ladder)trans-144.9112.7-179.5-178.20000110.5
100D82.2Confident82.2Confident100 Ų10051.2 Ų51.254%0.53528%0.279SS..  trans-112.4169.4172.8-70.3-33.9000110.3T102 R103D100-T102 PolarHBondContact O-N 3.04Å; D100-R103 PolarHBondContact N-O 2.94Å; D100-R103 PolarHBondContact O-N 3.48Å
101T80.6Confident83.4Confident70 Ų7053.2 Ų53.243%0.42928%0.275SS..SBendtrans-60.9-18.7176.859.40000114.8
102T86.5Confident83.6Confident50 Ų5053.9 Ų53.931%0.30729%0.293SS..SBendtrans-121.5-13.4-177.255.10000113.6D100 W209 I210 R224D100-T102 PolarHBondContact O-N 3.04Å; T102-W209 WeakPolarHBondContact O-CA 3.01Å; T102-I210 PolarHBondContact O-N 3.18Å; T102-R224 HydrophobicContact CG2-CG 3.96Å
103R90.8Very high83.6Confident103 Ų10359.4 Ų59.439%0.38931%0.313SS..EExtended strand (participates in β ladder)trans-142.9130.5-173.9-72.9-172.3178.2176.9-1.5111.2Y98 D100 V208Y98-R103 HydrophobicContact CE2-CB 3.82Å; D100-R103 PolarHBondContact N-O 2.94Å; D100-R103 PolarHBondContact O-N 3.48Å; R103-V208 CarbonylContact C-O 3.58Å; R103-V208 VanDerWaalsContact CA-O 3.24Å; R103-V208 WeakPolarHBondContact CA-O 3.38Å
104L90.8Very high83.4Confident6 Ų658.4 Ų58.43%0.03130%0.303CS..EExtended strand (participates in β ladder)trans-128.4121.9174.2-52.392.6000108.4Y96 E207 V208 I210 F228Y96-L104 HydrophobicContact CD1-CB 4.43Å; Y96-L104 HydrophobicContact CE1-CB 4.31Å; Y96-L104 HydrophobicContact CE1-CD2 3.92Å; L104-E207 CarbonylContact O-C 3.53Å; L104-E207 VanDerWaalsContact O-CA 3.31Å; L104-E207 WeakPolarHBondContact O-CA 3Å; L104-V208 HydrophobicContact CB-CB 4.25Å; L104-V208 HydrophobicContact CD1-CB 4.01Å; L104-V208 HydrophobicContact CD1-CG1 4.02Å; L104-V208 PolarHBondContact N-O 3.16Å; L104-V208 PolarHBondContact O-N 2.61Å; L104-I210 HydrophobicContact CD1-CD1 3.9Å; L104-I210 HydrophobicContact CD1-CG1 4.44Å; L104-F228 HydrophobicContact CD1-CD2 4.23Å; L104-F228 HydrophobicContact CD2-CB 4.4Å
105R90.9Very high82.8Confident29 Ų2961.1 Ų61.111%0.10932%0.321CS..EExtended strand (participates in β ladder)trans-107.3127.5172.8-175.9172.8179.1168.40109.8Y96 V97 Y98 N165 E207Y96-R105 CarbonylContact C-O 3.37Å; Y96-R105 WeakPolarHBondContact CA-O 3.39Å; V97-R105 HydrophobicContact CB-CB 4.3Å; V97-R105 HydrophobicContact CB-CG 4.11Å; V97-R105 HydrophobicContact CG2-CG 4.27Å; V97-R105 PolarHBondContact N-O 3.25Å; Y98-R105 HydrophobicContact CD1-CB 3.51Å; Y98-R105 HydrophobicContact CD1-CG 4.41Å; Y98-R105 HydrophobicContact CE1-CB 3.22Å; Y98-R105 HydrophobicContact CE1-CG 4.09Å; Y98-R105 HydrophobicContact CG-CB 4.33Å; Y98-R105 PolarHBondContact O-N 3.45Å; R105-N165 PolarHBondContact NH1-ND2 3.29Å; R105-N165 VanDerWaalsContact NH1-ND2 3.2Å; R105-E207 HydrophobicContact CB-CG 4.38Å
106M91.1Very high82Confident0 Ų062.7 Ų62.70%033%0.333CS..EExtended strand (participates in β ladder)trans-121.9146.7-175.7-62.4168.1-76.600109.6E95 Y96 F108 L125 L127 H205 L206 V208 P241E95-M106 CarbonylContact O-C 3.54Å; E95-M106 VanDerWaalsContact O-CA 3.27Å; E95-M106 WeakPolarHBondContact O-CA 3.38Å; Y96-M106 HydrophobicContact CD1-CG 3.52Å; Y96-M106 HydrophobicContact CD1-SD 4.29Å; Y96-M106 HydrophobicContact CE1-CG 3.52Å; Y96-M106 HydrophobicContact CE1-SD 3.66Å; Y96-M106 HydrophobicContact CG-CG 4.43Å; M106-F108 HydrophobicContact CB-CE2 3.73Å; M106-F108 HydrophobicContact CB-CZ 4.1Å; M106-L125 HydrophobicContact CE-CD1 4.49Å; M106-L125 HydrophobicContact CE-CD2 3.9Å; M106-L127 HydrophobicContact CE-CD2 4.48Å; M106-L127 HydrophobicContact SD-CD2 4.03Å; M106-H205 WeakPolarHBondContact O-CA 3.29Å; M106-L206 PolarHBondContact N-O 2.86Å; M106-L206 PolarHBondContact O-N 3.32Å; M106-V208 HydrophobicContact CE-CB 4.4Å; M106-V208 HydrophobicContact CE-CG2 3.29Å; M106-P241 HydrophobicContact CB-CG 4.07Å; M106-P241 HydrophobicContact CG-CB 4.21Å; M106-P241 HydrophobicContact CG-CG 3.76Å; M106-P241 HydrophobicContact SD-CB 3.28Å; M106-P241 WeakPolarHBondContact SD-CB 3.5Å; M106-P241 HydrophobicContact SD-CG 3.53Å; M106-P241 VanDerWaalsContact SD-CG 3.53Å
107V91.2Very high80.9Confident29 Ų2964.6 Ų64.618%0.17635%0.346CS..EExtended strand (participates in β ladder)trans-122.6133.917664.10000109.3G94 E95 V97 P203 M204G94-V107 CarbonylContact C-O 3.57Å; G94-V107 WeakPolarHBondContact CA-O 3.34Å; E95-V107 HydrophobicContact CB-CG1 3.98Å; E95-V107 PolarHBondContact N-O 3.45Å; E95-V107 PolarHBondContact O-N 3.03Å; V97-V107 HydrophobicContact CG2-CB 3.96Å; V97-V107 HydrophobicContact CG2-CG1 3.91Å; V107-P203 HydrophobicContact CG2-CB 3.51Å; V107-P203 HydrophobicContact CG2-CG 3.91Å; V107-M204 CarbonylContact C-O 3.49Å; V107-M204 WeakPolarHBondContact CA-O 3Å
108F89.4Confident80.1Confident0 Ų061.8 Ų61.80%033%0.33CS..EExtended strand (participates in β ladder)trans-121125.1-180-62.1-88000108.8I92 M106 M110 L125 P203 M204 L206 P241 L243I92-F108 HydrophobicContact CG2-CB 4.33Å; I92-F108 HydrophobicContact CG2-CD1 4.14Å; M106-F108 HydrophobicContact CB-CE2 3.73Å; M106-F108 HydrophobicContact CB-CZ 4.1Å; F108-M110 HydrophobicContact CB-CG 4.45Å; F108-M110 HydrophobicContact CB-SD 4.07Å; F108-M110 PolarHBondContact O-N 3.38Å; F108-L125 HydrophobicContact CE2-CD1 4.42Å; F108-L125 HydrophobicContact CZ-CD1 3.72Å; F108-P203 WeakPolarHBondContact O-CA 3.49Å; F108-M204 HydrophobicContact CB-CB 4.45Å; F108-M204 HydrophobicContact CD2-CE 4.3Å; F108-M204 PolarHBondContact N-O 2.83Å; F108-M204 PolarHBondContact O-N 2.59Å; F108-L206 HydrophobicContact CD2-CD1 4.34Å; F108-L206 HydrophobicContact CD2-CG 4.46Å; F108-L206 HydrophobicContact CE2-CB 4.25Å; F108-L206 HydrophobicContact CE2-CD1 3.85Å; F108-L206 HydrophobicContact CE2-CG 4.2Å; F108-P241 HydrophobicContact CE1-CB 4.3Å; F108-P241 HydrophobicContact CE1-CG 4.11Å; F108-P241 HydrophobicContact CZ-CB 3.97Å; F108-P241 HydrophobicContact CZ-CG 3.91Å; F108-L243 HydrophobicContact CB-CD2 4.31Å; F108-L243 HydrophobicContact CD1-CB 3.65Å; F108-L243 HydrophobicContact CD1-CD2 4.12Å; F108-L243 HydrophobicContact CE1-CB 3.53Å; F108-L243 HydrophobicContact CG-CB 4.39Å; F108-L243 HydrophobicContact CG-CD2 4.11Å; F108-L243 HydrophobicContact CZ-CB 4.19Å
109D87Confident79.4Confident89 Ų8962.1 Ų62.148%0.47634%0.335SS..  trans-79.3115.9167.7-175.87.9000109.2I92 E111I92-D109 WeakPolarHBondContact CG2-O 3.37Å; D109-E111 WeakPolarHBondContact OD1-CB 3.49Å; D109-E111 PolarHBondContact OD1-N 3.38Å
110M81.1Confident78.9Confident3 Ų360.5 Ų60.52%0.01532%0.323CS..  trans-105.7-0-174-59.7-67.4-70.700111.7I92 F108 A112 R113 V191 W194 M204 L243 L245I92-M110 HydrophobicContact CD1-CE 4.37Å; I92-M110 HydrophobicContact CD1-SD 3.94Å; F108-M110 HydrophobicContact CB-CG 4.45Å; F108-M110 HydrophobicContact CB-SD 4.07Å; F108-M110 PolarHBondContact O-N 3.38Å; M110-A112 PolarHBondContact O-N 2.87Å; M110-R113 PolarHBondContact O-N 2.8Å; M110-V191 HydrophobicContact CE-CG1 4.09Å; M110-V191 HydrophobicContact CE-CG2 4.47Å; M110-W194 HydrophobicContact CB-CD2 4.31Å; M110-W194 HydrophobicContact CB-CE3 4.28Å; M110-W194 HydrophobicContact CB-CH2 3.23Å; M110-W194 HydrophobicContact CB-CZ2 3.24Å; M110-W194 HydrophobicContact CB-CZ3 3.76Å; M110-W194 HydrophobicContact CE-CE3 4.06Å; M110-W194 HydrophobicContact CE-CZ3 4.03Å; M110-W194 HydrophobicContact CG-CD2 4.25Å; M110-W194 HydrophobicContact CG-CE3 4.38Å; M110-W194 HydrophobicContact CG-CH2 4.17Å; M110-W194 HydrophobicContact CG-CZ2 4.01Å; M110-W194 HydrophobicContact CG-CZ3 4.32Å; M110-M204 HydrophobicContact CE-CE 4.4Å; M110-M204 HydrophobicContact CG-CB 3.73Å; M110-M204 HydrophobicContact SD-CB 4.42Å; M110-M204 HydrophobicContact SD-CE 4.18Å; M110-L243 HydrophobicContact CE-CD2 4.13Å; M110-L243 HydrophobicContact SD-CD2 3.63Å; M110-L245 HydrophobicContact CE-CD1 3.89Å; M110-L245 HydrophobicContact CE-CD2 4.49Å
111E74.5Confident78Confident117 Ų11756.5 Ų56.555%0.54730%0.302SS..THydrogen-bonded Turntrans-61.4129179.9-172.5166.9-157.600110.6D109 R113D109-E111 WeakPolarHBondContact OD1-CB 3.49Å; D109-E111 PolarHBondContact OD1-N 3.38Å; E111-R113 PolarHBondContact O-N 2.87Å
112A66.4Low77.9Confident102 Ų10255.1 Ų55.184%0.84329%0.291SS*.THydrogen-bonded Turntrans5517.3-177.500000115.6M110M110-A112 PolarHBondContact O-N 2.87Å
113R75.3Confident77.8Confident121 Ų12152.7 Ų52.746%0.45728%0.276SS..THydrogen-bonded Turntrans-87.4-25.5178.7-61.1-57.3-176.2179.6-3.1113.9I92 M110 E111I92-R113 HydrophobicContact CD1-CB 3.72Å; I92-R113 HydrophobicContact CD1-CG 3.9Å; I92-R113 HydrophobicContact CG1-CB 4.34Å; I92-R113 HydrophobicContact CG1-CG 4.14Å; M110-R113 PolarHBondContact O-N 2.8Å; E111-R113 PolarHBondContact O-N 2.87Å
114I73.1Confident77.6Confident37 Ų3749.6 Ų49.619%0.1927%0.266CS..SBendtrans-99.3114.1171.6-58.2172.6000106.6S118 V120 V191 W194 L245 T247I114-S118 WeakPolarHBondContact CG2-OG 3.37Å; I114-V120 HydrophobicContact CD1-CG2 3.49Å; I114-V120 VanDerWaalsContact CD1-CG2 3.49Å; I114-V120 HydrophobicContact CG1-CG2 3.89Å; I114-V120 HydrophobicContact CG2-CG2 4.2Å; I114-V191 HydrophobicContact CD1-CG1 4.37Å; I114-W194 HydrophobicContact CD1-CZ3 3.76Å; I114-L245 HydrophobicContact CG1-CD1 4.01Å; I114-T247 HydrophobicContact CG2-CG2 4.48Å
115P71.4Confident77.6Confident59 Ų5949.3 Ų49.338%0.38327%0.265SS..  trans-56.6149.7176.9-24.632.7000112.4S118P115-S118 WeakPolarHBondContact CD-OG 3.37Å; P115-S118 WeakPolarHBondContact O-CB 3.48Å; P115-S118 PolarHBondContact O-N 3.19Å; P115-S118 PolarHBondContact O-OG 3.06Å
116D66.6Low77.4Confident158 Ų15850.6 Ų50.685%0.84527%0.271SS*.THydrogen-bonded Turntrans-56.7146.4168.2-66.4-38.4000110S118D116-S118 PolarHBondContact O-N 3.48Å
117N62Low77.2Confident87 Ų8750.8 Ų50.847%0.46527%0.272SS..THydrogen-bonded Turntrans56.530.9-178.9-154.718.2000113.8L250 E251N117-L250 WeakPolarHBondContact O-CB 3.16Å; N117-L250 VanDerWaalsContact O-CG 3.28Å; N117-L250 WeakPolarHBondContact O-CG 3.36Å; N117-L250 PolarHBondContact O-N 2.73Å; N117-E251 HydrophobicContact CB-CG 4.5Å; N117-E251 WeakPolarHBondContact ND2-CG 3.2Å; N117-E251 PolarHBondContact ND2-OE1 3.17Å
118S65.9Low77Confident22 Ų2251.7 Ų51.715%0.15427%0.273CS..EExtended strand (participates in β ladder)trans-121.2147.9173.4770000111.8I114 P115 D116 L248I114-S118 WeakPolarHBondContact CG2-OG 3.37Å; P115-S118 WeakPolarHBondContact CD-OG 3.37Å; P115-S118 WeakPolarHBondContact O-CB 3.48Å; P115-S118 PolarHBondContact O-N 3.19Å; P115-S118 PolarHBondContact O-OG 3.06Å; D116-S118 PolarHBondContact O-N 3.48Å; S118-L248 VanDerWaalsContact CA-O 3.28Å; S118-L248 WeakPolarHBondContact CA-O 3.35Å; S118-L248 WeakPolarHBondContact CB-O 3.47Å
119E68.4Low76.9Confident80 Ų8051.7 Ų51.737%0.37427%0.273SS..EExtended strand (participates in β ladder)trans-108.6132.8174.7-176176.7-170.900109.8T121 T247 L248 L250E119-T121 PolarHBondContact O-N 2.99Å; E119-T247 CarbonylContact O-C 3.57Å; E119-T247 WeakPolarHBondContact O-CA 3.45Å; E119-L248 PolarHBondContact N-O 3.01Å; E119-L248 PolarHBondContact O-N 3.21Å; E119-L250 HydrophobicContact CB-CD2 4.22Å
120V70.9Confident76.8Confident9 Ų953.7 Ų53.76%0.05527%0.274CS..EExtended strand (participates in β ladder)trans-71.2113.9170.11790000108.4I114 V191 H192 T247I114-V120 HydrophobicContact CD1-CG2 3.49Å; I114-V120 VanDerWaalsContact CD1-CG2 3.49Å; I114-V120 HydrophobicContact CG1-CG2 3.89Å; I114-V120 HydrophobicContact CG2-CG2 4.2Å; V120-V191 HydrophobicContact CB-CG1 4.34Å; V120-V191 HydrophobicContact CG1-CB 4.46Å; V120-V191 HydrophobicContact CG1-CG1 3.93Å; V120-V191 HydrophobicContact CG2-CG1 3.96Å; V120-H192 PolarHBondContact O-CE1 2.87Å; V120-T247 HydrophobicContact CG2-CG2 4.23Å
121T65.3Low76.7Confident16 Ų1654.5 Ų54.510%0.09828%0.28CS..EExtended strand (participates in β ladder)trans-92.7-35.4-178.554.30000113.1L79 E119 Y246 L248L79-T121 VanDerWaalsContact CD1-O 3.3Å; L79-T121 WeakPolarHBondContact CD1-O 3.3Å; L79-T121 HydrophobicContact CD2-CG2 3.91Å; L79-T121 WeakPolarHBondContact CD2-O 3.35Å; E119-T121 PolarHBondContact O-N 2.99Å; T121-Y246 PolarHBondContact N-O 3.23Å; T121-Y246 PolarHBondContact OG1-O 3.46Å; T121-L248 HydrophobicContact CG2-CB 3.5Å; T121-L248 VanDerWaalsContact CG2-CB 3.5Å; T121-L248 HydrophobicContact CG2-CD2 4.43Å; T121-L248 HydrophobicContact CG2-CG 4.48Å
122M76.7Confident76.5Confident40 Ų4050.5 Ų50.520%0.19727%0.266CS..EExtended strand (participates in β ladder)trans-154.6150.3176-177.5174.3-175.900109L83 E124 T188 Y246L83-M122 HydrophobicContact CD1-CB 3.9Å; L83-M122 HydrophobicContact CD1-CG 4.39Å; L83-M122 HydrophobicContact CD1-SD 3.56Å; L83-M122 VanDerWaalsContact CD1-SD 3.56Å; L83-M122 HydrophobicContact CD2-CB 4.2Å; M122-E124 HydrophobicContact CE-CG 3.7Å; M122-E124 WeakPolarHBondContact CE-OE1 3.47Å; M122-T188 WeakPolarHBondContact CA-OG1 3.01Å; M122-Y246 HydrophobicContact CB-CD2 3.87Å; M122-Y246 HydrophobicContact CB-CG 4.32Å; M122-Y246 HydrophobicContact CG-CD2 4.04Å; M122-Y246 PolarHBondContact N-O 3.04Å; M122-Y246 PolarHBondContact O-N 2.58Å; M122-Y246 HydrophobicContact SD-CD2 4.45Å
123A84.3Confident76.2Confident0 Ų054.4 Ų54.40%027%0.266CS..EExtended strand (participates in β ladder)trans-135.1132.3169.600000110.6V187 T188 V191 L243 I244 L245A123-V187 HydrophobicContact CB-CG2 3.88Å; A123-V187 PolarHBondContact O-N 2.73Å; A123-T188 PolarHBondContact N-OG1 3.2Å; A123-V191 HydrophobicContact CB-CB 4.38Å; A123-V191 HydrophobicContact CB-CG2 3.62Å; A123-L243 HydrophobicContact CB-CD1 4.41Å; A123-I244 CarbonylContact C-O 3.56Å; A123-I244 VanDerWaalsContact CA-O 3.27Å; A123-I244 WeakPolarHBondContact CA-O 3.25Å; A123-L245 HydrophobicContact CB-CD2 3.6Å
124E86.8Confident75.3Confident37 Ų3754 Ų5417%0.17327%0.269CS..EExtended strand (participates in β ladder)trans-116.5129.3175.6-67.7-165.716300111M122 S184 F185 I244 Y246M122-E124 HydrophobicContact CE-CG 3.7Å; M122-E124 WeakPolarHBondContact CE-OE1 3.47Å; E124-S184 WeakPolarHBondContact OE2-CB 3.33Å; E124-S184 PolarHBondContact OE2-OG 2.88Å; E124-F185 CarbonylContact C-O 3.55Å; E124-F185 VanDerWaalsContact CA-O 3.31Å; E124-F185 WeakPolarHBondContact CA-O 3.36Å; E124-I244 PolarHBondContact N-O 3.45Å; E124-I244 PolarHBondContact O-N 3.37Å; E124-Y246 HydrophobicContact CG-CE2 4.16Å
125L90.5Very high74.1Confident0 Ų061.4 Ų61.40%030%0.3CS..EExtended strand (participates in β ladder)trans-88.9117.5163.4175.466.7000108.3M106 F108 L127 I154 S184 F185 V187 L206 V208 P241M106-L125 HydrophobicContact CE-CD1 4.49Å; M106-L125 HydrophobicContact CE-CD2 3.9Å; F108-L125 HydrophobicContact CE2-CD1 4.42Å; F108-L125 HydrophobicContact CZ-CD1 3.72Å; L125-L127 HydrophobicContact CD1-CD2 4.32Å; L125-L127 HydrophobicContact CD2-CD1 4.14Å; L125-L127 HydrophobicContact CD2-CG 4.37Å; L125-L127 HydrophobicContact CG-CD1 4.44Å; L125-L127 HydrophobicContact CG-CD2 4.4Å; L125-L127 HydrophobicContact CG-CG 4.14Å; L125-I154 HydrophobicContact CD2-CD1 4Å; L125-I154 HydrophobicContact CD2-CG1 4.34Å; L125-S184 WeakPolarHBondContact O-CA 3.48Å; L125-F185 PolarHBondContact N-O 3.31Å; L125-F185 PolarHBondContact O-N 2.92Å; L125-V187 HydrophobicContact CB-CG1 3.77Å; L125-V187 HydrophobicContact CB-CG2 4.12Å; L125-L206 HydrophobicContact CD2-CD1 4.25Å; L125-V208 HydrophobicContact CD2-CG2 4.26Å; L125-P241 HydrophobicContact CD1-CB 4.38Å
126K87.5Confident73Confident56 Ų5668.7 Ų68.724%0.24332%0.32CS..EExtended strand (participates in β ladder)trans-101.3123.9176.6-74.1-166.9-179162.40111W182 S184 E242 I244K126-W182 HydrophobicContact CB-CE3 3.98Å; K126-W182 HydrophobicContact CB-CZ3 4.07Å; K126-S184 WeakPolarHBondContact CE-OG 3.48Å; K126-E242 HydrophobicContact CB-CB 4.43Å; K126-E242 PolarHBondContact N-O 2.88Å; K126-I244 HydrophobicContact CD-CD1 3.51Å; K126-I244 HydrophobicContact CG-CD1 4.15Å
127L87.3Confident72.2Confident4 Ų470.4 Ų70.42%0.02132%0.316CS..EExtended strand (participates in β ladder)trans-126.6128.9176.1-60.1173.9000109.1M106 L125 Q129 K183 F185 V208 F228 P241M106-L127 HydrophobicContact CE-CD2 4.48Å; M106-L127 HydrophobicContact SD-CD2 4.03Å; L125-L127 HydrophobicContact CD1-CD2 4.32Å; L125-L127 HydrophobicContact CD2-CD1 4.14Å; L125-L127 HydrophobicContact CD2-CG 4.37Å; L125-L127 HydrophobicContact CG-CD1 4.44Å; L125-L127 HydrophobicContact CG-CD2 4.4Å; L125-L127 HydrophobicContact CG-CG 4.14Å; L127-Q129 PolarHBondContact O-N 3.11Å; L127-K183 PolarHBondContact N-O 3.08Å; L127-K183 PolarHBondContact O-N 3.11Å; L127-F185 HydrophobicContact CD1-CD2 4.4Å; L127-F185 HydrophobicContact CD1-CE2 4.06Å; L127-V208 HydrophobicContact CD1-CG2 3.94Å; L127-F228 HydrophobicContact CB-CB 4.31Å; L127-F228 HydrophobicContact CB-CD1 3.46Å; L127-F228 VanDerWaalsContact CB-CD1 3.46Å; L127-F228 HydrophobicContact CB-CE1 3.83Å; L127-F228 HydrophobicContact CB-CG 3.9Å; L127-F228 HydrophobicContact CD1-CD1 4.34Å; L127-F228 HydrophobicContact CD1-CD2 4.13Å; L127-F228 HydrophobicContact CD1-CE1 4.43Å; L127-F228 HydrophobicContact CD1-CE2 4.22Å; L127-F228 HydrophobicContact CD1-CG 4.19Å; L127-F228 HydrophobicContact CD1-CZ 4.37Å; L127-P241 HydrophobicContact CD2-CB 4.07Å
128Y85.9Confident71.5Confident48 Ų4871.5 Ų71.519%0.18833%0.326CS..EExtended strand (participates in β ladder)trans-85.9112.2175.8-176.2-96.1000110R130 T180 W182 F228 T229 Q231Y128-R130 HydrophobicContact CE1-CB 4.47Å; Y128-T180 HydrophobicContact CE1-CG2 4.07Å; Y128-T180 HydrophobicContact CE2-CG2 4.41Å; Y128-T180 WeakPolarHBondContact OH-CG2 3.44Å; Y128-W182 AromaticContact CD2-CD1 3.94Å; Y128-W182 AromaticContact CD2-CD2 3.89Å; Y128-W182 HydrophobicContact CD2-CD2 3.89Å; Y128-W182 AromaticContact CD2-CE2 3.77Å; Y128-W182 HydrophobicContact CD2-CG 4.02Å; Y128-W182 HydrophobicContact CD2-CZ2 4.34Å; Y128-W182 AromaticContact CD2-NE1 3.77Å; Y128-W182 HydrophobicContact CG-CD2 4.49Å; Y128-F228 CarbonylContact O-C 3.59Å; Y128-F228 VanDerWaalsContact O-CA 3.25Å; Y128-F228 WeakPolarHBondContact O-CA 3.08Å; Y128-T229 WeakPolarHBondContact CB-O 3.06Å; Y128-T229 HydrophobicContact CD1-CG2 4.22Å; Y128-T229 PolarHBondContact O-N 2.82Å; Y128-Q231 HydrophobicContact CE2-CG 4.42Å
129Q87.5Confident70.7Confident0 Ų075.6 Ų75.60%035%0.35CS..EExtended strand (participates in β ladder)trans-80.8129.1173.2-179.8-178.6-900109.1L127 P176 I177 E179 T180 G181 K183 V226 R227 F228L127-Q129 PolarHBondContact O-N 3.11Å; Q129-P176 PolarHBondContact NE2-O 2.03Å; Q129-I177 PolarHBondContact NE2-O 3.29Å; Q129-E179 VanDerWaalsContact CD-O 3.25Å; Q129-E179 WeakPolarHBondContact CG-O 3.31Å; Q129-E179 PolarHBondContact NE2-O 3.43Å; Q129-E179 VanDerWaalsContact NE2-O 3.16Å; Q129-T180 CarbonylContact O-C 3.45Å; Q129-T180 VanDerWaalsContact O-CA 3.3Å; Q129-T180 WeakPolarHBondContact O-CA 3.4Å; Q129-T180 WeakPolarHBondContact O-CG2 3.29Å; Q129-G181 PolarHBondContact N-O 3.28Å; Q129-G181 PolarHBondContact O-N 2.84Å; Q129-K183 HydrophobicContact CB-CG 4.12Å; Q129-V226 HydrophobicContact CG-CG1 4.48Å; Q129-R227 WeakPolarHBondContact CA-O 3.5Å; Q129-F228 HydrophobicContact CB-CD1 4.09Å; Q129-F228 HydrophobicContact CB-CE1 3.95Å
130R84.8Confident70Confident132 Ų13279.5 Ų79.550%0.49837%0.368SS..EExtended strand (participates in β ladder)trans-105.4122.8169.1-175.1172.4179.9177.80.6109.1Y128 S132 R227 T229Y128-R130 HydrophobicContact CE1-CB 4.47Å; R130-S132 PolarHBondContact O-N 3.14Å; R130-R227 PolarHBondContact N-O 2.89Å; R130-T229 HydrophobicContact CB-CG2 3.5Å; R130-T229 HydrophobicContact CG-CG2 4.36Å
131A79.1Confident69.3Low19 Ų1986.1 Ų86.116%0.15740%0.396CS..  trans-60124.5170.600000108.8H133 T180A131-H133 PolarHBondContact O-N 2.85Å; A131-T180 WeakPolarHBondContact CB-OG1 3.27Å; A131-T180 PolarHBondContact N-OG1 2.9Å
132S71.3Confident68.8Low34 Ų3495.8 Ų95.824%0.23844%0.436CS..  trans-69.4120.1171.8-176.60000108.9R130 H134R130-S132 PolarHBondContact O-N 3.14Å; S132-H134 PolarHBondContact O-N 3.41Å; S132-H134 PolarHBondContact OG-N 3.32Å; S132-H134 PolarHBondContact OG-ND1 2.9Å
133H60Low68.2Low183 Ų183101 Ų10185%0.84747%0.465SS*.  trans-7337.3164.9-80.7-80.3000111.4A131 K135A131-H133 PolarHBondContact O-N 2.85Å; H133-K135 PolarHBondContact O-N 3.02Å
134H55.8Low67.6Low113 Ų113105.2 Ų105.252%0.52349%0.485SS..  trans-59.4113.5161.5-82.85.6000106.4S132 R136S132-H134 PolarHBondContact O-N 3.41Å; S132-H134 PolarHBondContact OG-N 3.32Å; S132-H134 PolarHBondContact OG-ND1 2.9Å; H134-R136 PolarHBondContact O-N 3.39Å
135K47.8Very low67.2Low192 Ų192112.4 Ų112.484%0.83551%0.51SS*.  trans-34.8122.1169.7-74.1178.8178.4177.80105.4H133 Y137H133-K135 PolarHBondContact O-N 3.02Å; K135-Y137 PolarHBondContact O-N 3.37Å
136R49.4Very low66.9Low213 Ų213116.8 Ų116.880%0.80454%0.539SS*.  trans-33.1111.4171.7-74.4177.9176.4174.1-1.9106H134 T138H134-R136 PolarHBondContact O-N 3.39Å; R136-T138 HydrophobicContact CB-CG2 3.54Å; R136-T138 WeakPolarHBondContact CB-OG1 3.3Å; R136-T138 HydrophobicContact CG-CG2 4.31Å; R136-T138 PolarHBondContact O-N 2.93Å; R136-T138 PolarHBondContact O-OG1 3.36Å
137Y49.8Very low66.8Low193 Ų193114.3 Ų114.376%0.75753%0.528SS*.  trans-65.374.3167-100.1-90.7000104.4K135 V139K135-Y137 PolarHBondContact O-N 3.37Å; Y137-V139 VanDerWaalsContact C-N 3.27Å
138T46.6Very low66.8Low111 Ų111118.8 Ų118.868%0.68155%0.552SS**  trans-98.610-179.6310000109.6R136R136-T138 HydrophobicContact CB-CG2 3.54Å; R136-T138 WeakPolarHBondContact CB-OG1 3.3Å; R136-T138 HydrophobicContact CG-CG2 4.31Å; R136-T138 PolarHBondContact O-N 2.93Å; R136-T138 PolarHBondContact O-OG1 3.36Å
139V50Low67Low108 Ų108118.7 Ų118.766%0.65556%0.555SS**SBendtrans-122.4110.6169.1-165.80000104.2Y137Y137-V139 VanDerWaalsContact C-N 3.27Å
140E51.9Low67.3Low161 Ų161118.7 Ų118.775%0.75256%0.555SS**SBendtrans75.2102.7174.2-56170.5-174.700115.3
141K57Low67.8Low149 Ų149116.6 Ų116.665%0.64855%0.547SS*.  -161.911358.3-76.2166.2177.91700109.2N143K141-N143 PolarHBondContact O-N 2.87Å
142K55Low68.5Low218 Ų218115.7 Ų115.795%0.94854%0.54SS*.THydrogen-bonded Turntrans-59.8-0.2179.1-76.5-177.5174.3178.80116.1
143N63.4Low69.7Low151 Ų151114.2 Ų114.281%0.80753%0.529SS*.THydrogen-bonded Turntrans-110.6-1.4-170-66-1.9000115.2K141K141-N143 PolarHBondContact O-N 2.87Å
144H71.2Confident71.4Confident87 Ų87105.5 Ų105.540%0.40349%0.489SS..SBendtrans-100.4133179.8-66.885.9000111Y218H144-Y218 HydrophobicContact CB-CD1 3.86Å; H144-Y218 HydrophobicContact CB-CE1 3.95Å; H144-Y218 HydrophobicContact CB-CG 4.28Å
145R80.4Confident73.3Confident188 Ų188102 Ų10271%0.70947%0.472SS*.PPolyproline II helixtrans-55.6134.4170.6174.2-177.3-179.4177.40.2109.1R214R145-R214 PolarHBondContact O-NH2 3.4Å
146P82.4Confident75.4Confident93 Ų9393.7 Ų93.760%0.60444%0.435SS*.PPolyproline II helixtrans-58.2145.9-178.623.3-34.6000111.6
147V85.3Confident77.5Confident3 Ų383.6 Ų83.62%0.01840%0.397CS..  trans-124.2110.8176.4-179.60000107.1N149 I177 Y218 A219 M222V147-N149 WeakPolarHBondContact CG1-O 3.4Å; V147-I177 HydrophobicContact CG1-CD1 4.1Å; V147-Y218 HydrophobicContact CB-CE1 4.42Å; V147-Y218 HydrophobicContact CG2-CD1 3.89Å; V147-Y218 HydrophobicContact CG2-CE1 3.89Å; V147-A219 HydrophobicContact CG1-CB 4.42Å; V147-A219 HydrophobicContact CG2-CB 4.13Å; V147-M222 HydrophobicContact CB-CB 4.31Å; V147-M222 HydrophobicContact CB-CG 4.26Å; V147-M222 HydrophobicContact CG1-CB 4.11Å
148N87.2Confident79.3Confident99 Ų9976.4 Ų76.453%0.52937%0.37SS..  trans-104.8-19.7-176.5-64.2-21.3000112P176 I177N148-P176 WeakPolarHBondContact O-CA 3.47Å; N148-I177 PolarHBondContact O-N 2.88Å
149N91.8Very high81Confident45 Ų4574.4 Ų74.424%0.24136%0.358CS..EExtended strand (participates in β ladder)trans-121.2152.6-174.4-55.4-42.4000111.6V147 L174 I175 E213V147-N149 WeakPolarHBondContact CG1-O 3.4Å; N149-L174 HydrophobicContact CB-CB 4.22Å; N149-L174 HydrophobicContact CB-CD2 4.47Å; N149-I175 CarbonylContact C-O 3.55Å; N149-I175 WeakPolarHBondContact CA-O 3.27Å; N149-E213 WeakPolarHBondContact O-CB 3.45Å
150A92.7Very high82.6Confident0 Ų071.5 Ų71.50%034%0.338CS..EExtended strand (participates in β ladder)trans-118.3149.3165.200000109.1L174 I175 I177 I210 A223 V226A150-L174 CarbonylContact O-C 3.56Å; A150-L174 WeakPolarHBondContact O-CA 3.43Å; A150-I175 PolarHBondContact N-O 2.86Å; A150-I175 PolarHBondContact O-N 3.27Å; A150-I177 HydrophobicContact CB-CD1 4.39Å; A150-I177 HydrophobicContact CB-CG1 3.96Å; A150-I210 HydrophobicContact CB-CG2 4.48Å; A150-A223 HydrophobicContact CB-CB 3.85Å; A150-V226 HydrophobicContact CB-CG2 3.74Å
151R95.1Very high83.7Confident89 Ų8970 Ų7034%0.33634%0.343SS..EExtended strand (participates in β ladder)trans-85.8124.7171.5-178.6-179.8-61-81.1-3.6108.5R173 L174 E211R151-R173 WeakPolarHBondContact CA-O 3.39Å; R151-L174 HydrophobicContact CB-CD2 3.95Å; R151-E211 HydrophobicContact CB-CB 4.36Å; R151-E211 PolarHBondContact N-O 3.38Å; R151-E211 PolarHBondContact O-N 2.91Å
152V95.1Very high84.7Confident0 Ų067.5 Ų67.50%034%0.344CS..EExtended strand (participates in β ladder)trans-114.6120.3171.2179.80000108.3S172 R173 I175 F185 V208 W209 I210 F228V152-S172 WeakPolarHBondContact O-CA 3.47Å; V152-R173 PolarHBondContact N-O 2.72Å; V152-R173 PolarHBondContact O-N 3.35Å; V152-I175 HydrophobicContact CB-CD1 4.36Å; V152-I175 HydrophobicContact CG2-CD1 3.43Å; V152-I175 VanDerWaalsContact CG2-CD1 3.43Å; V152-I175 HydrophobicContact CG2-CG1 3.81Å; V152-F185 HydrophobicContact CB-CE1 4.08Å; V152-F185 HydrophobicContact CB-CZ 4.1Å; V152-F185 HydrophobicContact CG1-CE1 3.81Å; V152-F185 HydrophobicContact CG1-CZ 3.62Å; V152-V208 HydrophobicContact CG1-CG1 3.6Å; V152-W209 WeakPolarHBondContact CA-O 3.37Å; V152-I210 HydrophobicContact CG2-CG1 4.31Å; V152-F228 HydrophobicContact CG1-CE2 4.27Å; V152-F228 HydrophobicContact CG1-CZ 4.31Å; V152-F228 HydrophobicContact CG2-CE2 4.44Å; V152-F228 HydrophobicContact CG2-CZ 4.3Å
153S95.9Very high85.7Confident3 Ų360 Ų602%0.02133%0.329CS..EExtended strand (participates in β ladder)trans-117.8134.2-178.6-61.50000109.7D171 S172 V208 W209S153-D171 CarbonylContact C-O 3.42Å; S153-D171 WeakPolarHBondContact CA-O 3.5Å; S153-S172 PolarHBondContact OG-OG 2.93Å; S153-V208 CarbonylContact O-C 3.52Å; S153-V208 WeakPolarHBondContact O-CA 3.43Å; S153-W209 PolarHBondContact N-O 2.98Å; S153-W209 PolarHBondContact O-N 3.16Å
154I95.6Very high86.7Confident0 Ų055.5 Ų55.50%031%0.308CS..EExtended strand (participates in β ladder)trans-108.6131.7177.3-69.2155.7000109.1L125 V170 D171 F185 V187 L206 E207 V208L125-I154 HydrophobicContact CD2-CD1 4Å; L125-I154 HydrophobicContact CD2-CG1 4.34Å; I154-V170 HydrophobicContact CG2-CB 4.33Å; I154-V170 WeakPolarHBondContact O-CB 3.23Å; I154-V170 PolarHBondContact O-N 3.3Å; I154-D171 PolarHBondContact N-O 2.71Å; I154-D171 PolarHBondContact O-N 3.24Å; I154-F185 HydrophobicContact CD1-CB 3Å; I154-F185 HydrophobicContact CD1-CD1 3.49Å; I154-F185 VanDerWaalsContact CD1-CD1 3.49Å; I154-F185 HydrophobicContact CD1-CD2 3.73Å; I154-F185 HydrophobicContact CD1-CE1 4.32Å; I154-F185 HydrophobicContact CD1-CG 3.14Å; I154-F185 HydrophobicContact CG1-CB 4.49Å; I154-F185 HydrophobicContact CG1-CG 4.45Å; I154-V187 HydrophobicContact CD1-CG1 4.38Å; I154-V187 HydrophobicContact CG2-CG1 3.92Å; I154-L206 HydrophobicContact CG2-CD2 4.4Å; I154-E207 CarbonylContact C-O 3.51Å; I154-E207 WeakPolarHBondContact CA-O 3.49Å; I154-V208 HydrophobicContact CG1-CG2 4.09Å
155Y95.1Very high87.5Confident40 Ų4055.3 Ų55.316%0.15731%0.311CS..EExtended strand (participates in β ladder)trans-117.9136.1178.6-66.2-96.6000110.1S168 L169 L206 E207 W209Y155-S168 CarbonylContact C-O 3.55Å; Y155-S168 WeakPolarHBondContact CA-O 3.11Å; Y155-L169 HydrophobicContact CD1-CB 4.04Å; Y155-L169 HydrophobicContact CD1-CD1 4.26Å; Y155-L169 HydrophobicContact CD2-CD1 4.36Å; Y155-L169 HydrophobicContact CE1-CB 3.72Å; Y155-L169 HydrophobicContact CE1-CD1 3.78Å; Y155-L169 HydrophobicContact CE1-CG 4.36Å; Y155-L169 HydrophobicContact CE2-CD1 3.89Å; Y155-L206 CarbonylContact O-C 3.53Å; Y155-L206 WeakPolarHBondContact O-CA 3.26Å; Y155-E207 PolarHBondContact N-O 2.68Å; Y155-E207 PolarHBondContact O-N 3.48Å; Y155-W209 HydrophobicContact CD2-CB 4.43Å; Y155-W209 AromaticContact CD2-CD1 3.72Å; Y155-W209 HydrophobicContact CD2-CD2 4.06Å; Y155-W209 AromaticContact CD2-CG 3.85Å; Y155-W209 HydrophobicContact CD2-CG 3.85Å; Y155-W209 AromaticContact CD2-NE1 3.87Å; Y155-W209 HydrophobicContact CE2-CB 4.02Å; Y155-W209 AromaticContact CE2-CD2 3.66Å; Y155-W209 HydrophobicContact CE2-CD2 3.66Å; Y155-W209 HydrophobicContact CE2-CE3 4.04Å; Y155-W209 AromaticContact CE2-CG 3.66Å; Y155-W209 HydrophobicContact CE2-CG 3.66Å
156W93.2Very high87.9Confident16 Ų1652.7 Ų52.76%0.06130%0.301CS..EExtended strand (participates in β ladder)trans-77.3133.2162159.7-102000108.6E158 T167 S168 V170 A190 W194 M204 L206W156-E158 HydrophobicContact CZ2-CB 4.39Å; W156-T167 CarbonylContact O-C 3.59Å; W156-T167 VanDerWaalsContact O-CA 3.3Å; W156-T167 WeakPolarHBondContact O-CA 3.14Å; W156-S168 PolarHBondContact N-O 3.05Å; W156-S168 PolarHBondContact O-N 2.69Å; W156-V170 HydrophobicContact CB-CG2 3.64Å; W156-A190 HydrophobicContact CB-CB 4.03Å; W156-A190 HydrophobicContact CE3-CB 4.12Å; W156-W194 HydrophobicContact CH2-CB 3.57Å; W156-W194 AromaticContact CH2-CD1 3.76Å; W156-W194 HydrophobicContact CH2-CG 4.04Å; W156-W194 HydrophobicContact CZ2-CB 4.33Å; W156-W194 HydrophobicContact CZ3-CB 3.71Å; W156-W194 HydrophobicContact CZ3-CG 4.29Å; W156-M204 HydrophobicContact CE3-CG 4.11Å; W156-M204 HydrophobicContact CE3-SD 4.15Å; W156-M204 HydrophobicContact CZ3-CB 3.9Å; W156-M204 HydrophobicContact CZ3-CG 3.51Å; W156-M204 HydrophobicContact CZ3-SD 3.82Å; W156-L206 HydrophobicContact CE3-CD2 4.46Å
157V91.9Very high88.3Confident1 Ų151.3 Ų51.31%0.00629%0.29CS..EExtended strand (participates in β ladder)trans-115.6112-179.8-171.30000110N165 T167 H205 E207V157-N165 HydrophobicContact CG1-CB 3.91Å; V157-T167 HydrophobicContact CG1-CG2 4.28Å; V157-T167 HydrophobicContact CG2-CG2 4.06Å; V157-H205 HydrophobicContact CB-CB 3.82Å; V157-H205 PolarHBondContact N-O 3.2Å; V157-E207 HydrophobicContact CG2-CB 3.66Å
158E87.7Confident88.7Confident43 Ų4353.3 Ų53.320%0.20131%0.305CS..EExtended strand (participates in β ladder)trans-93.7119.2172.7-173.4-178.6-177.200109.5W156 L160 N165 R166W156-E158 HydrophobicContact CZ2-CB 4.39Å; E158-L160 HydrophobicContact CG-CD2 4.4Å; E158-L160 PolarHBondContact O-N 3Å; E158-N165 WeakPolarHBondContact O-CA 3.31Å; E158-R166 HydrophobicContact CB-CB 4.34Å; E158-R166 VanDerWaalsContact CD-NH2 3.29Å; E158-R166 PolarHBondContact N-O 3.34Å; E158-R166 PolarHBondContact O-N 2.93Å; E158-R166 IonicContact OE1-NH2 2.71Å; E158-R166 PolarHBondContact OE1-NH2 2.76Å; E158-R166 VanDerWaalsContact OE1-NH2 3.17Å; E158-R166 IonicContact OE2-CZ 2.69Å; E158-R166 IonicContact OE2-NE 3.96Å; E158-R166 PolarHBondContact OE2-NE 3.14Å; E158-R166 IonicContact OE2-NH2 3.17Å; E158-R166 PolarHBondContact OE2-NH2 3.49Å
159V83.6Confident88.9Confident68 Ų6853.1 Ų53.141%0.41230%0.303SS..EExtended strand (participates in β ladder)trans-86.3108.1176.5-175.80000107.8
160L82.4Confident88.9Confident48 Ų4852.1 Ų52.125%0.25130%0.299SS..  trans-76.2153.4-178.7-64.6170.8000110.7E158 S162 G163 S164 R166E158-L160 HydrophobicContact CG-CD2 4.4Å; E158-L160 PolarHBondContact O-N 3Å; L160-S162 PolarHBondContact O-N 3.4Å; L160-G163 PolarHBondContact O-N 3.46Å; L160-S164 VanDerWaalsContact CB-O 3.31Å; L160-S164 WeakPolarHBondContact CB-O 3.41Å; L160-S164 WeakPolarHBondContact CD1-OG 3.02Å; L160-S164 PolarHBondContact N-O 3.23Å; L160-R166 HydrophobicContact CD1-CB 4.3Å
161P76Confident88.9Confident130 Ų13053.2 Ų53.284%0.84431%0.305SS*.THydrogen-bonded Turntrans-57.1-21.2176.5-24.934000114.3G163P161-G163 PolarHBondContact O-N 2.87Å
162S78.2Confident88.8Confident96 Ų9651 Ų5167%0.67130%0.302SS*.THydrogen-bonded Turntrans-77.1-2175.360.60000114.3L160 S164L160-S162 PolarHBondContact O-N 3.4Å; S162-S164 VanDerWaalsContact C-N 3.25Å; S162-S164 PolarHBondContact O-N 2.95Å; S162-S164 PolarHBondContact OG-OG 2.77Å
163G75.6Confident88.6Confident61 Ų6156 Ų5663%0.62932%0.321SS*.SBendtrans80.7-0.8-175.200000114.5L160 P161L160-G163 PolarHBondContact O-N 3.46Å; P161-G163 PolarHBondContact O-N 2.87Å
164S84.6Confident88.4Confident55 Ų5559.6 Ų59.639%0.38534%0.34SS..PPolyproline II helixtrans-85.1144.7174.462.50000111.6L160 S162L160-S164 VanDerWaalsContact CB-O 3.31Å; L160-S164 WeakPolarHBondContact CB-O 3.41Å; L160-S164 WeakPolarHBondContact CD1-OG 3.02Å; L160-S164 PolarHBondContact N-O 3.23Å; S162-S164 VanDerWaalsContact C-N 3.25Å; S162-S164 PolarHBondContact O-N 2.95Å; S162-S164 PolarHBondContact OG-OG 2.77Å
165N88.6Confident88.2Confident84 Ų8460.1 Ų60.145%0.44934%0.343SS..EExtended strand (participates in β ladder)trans-98.3126.3178.5-63.4-39.4000109.6R105 V157 E158R105-N165 PolarHBondContact NH1-ND2 3.29Å; R105-N165 VanDerWaalsContact NH1-ND2 3.2Å; V157-N165 HydrophobicContact CG1-CB 3.91Å; E158-N165 WeakPolarHBondContact O-CA 3.31Å
166R88.6Confident88Confident133 Ų13360.1 Ų60.150%0.50235%0.347SS..EExtended strand (participates in β ladder)trans-99.8120.5168.8178.8165.370.8177.30.9108.9E158 L160E158-R166 HydrophobicContact CB-CB 4.34Å; E158-R166 VanDerWaalsContact CD-NH2 3.29Å; E158-R166 PolarHBondContact N-O 3.34Å; E158-R166 PolarHBondContact O-N 2.93Å; E158-R166 IonicContact OE1-NH2 2.71Å; E158-R166 PolarHBondContact OE1-NH2 2.76Å; E158-R166 VanDerWaalsContact OE1-NH2 3.17Å; E158-R166 IonicContact OE2-CZ 2.69Å; E158-R166 IonicContact OE2-NE 3.96Å; E158-R166 PolarHBondContact OE2-NE 3.14Å; E158-R166 IonicContact OE2-NH2 3.17Å; E158-R166 PolarHBondContact OE2-NH2 3.49Å; L160-R166 HydrophobicContact CD1-CB 4.3Å
167T91.3Very high87.8Confident63 Ų6359.4 Ų59.439%0.38735%0.345SS..EExtended strand (participates in β ladder)trans-104.5137.9178.959.60000111.3W156 V157W156-T167 CarbonylContact O-C 3.59Å; W156-T167 VanDerWaalsContact O-CA 3.3Å; W156-T167 WeakPolarHBondContact O-CA 3.14Å; V157-T167 HydrophobicContact CG1-CG2 4.28Å; V157-T167 HydrophobicContact CG2-CG2 4.06Å
168S92Very high87.4Confident46 Ų4665.2 Ų65.232%0.32237%0.372SS..EExtended strand (participates in β ladder)trans-128.5126.8177.8-63.40000109.4Y155 W156 V170Y155-S168 CarbonylContact C-O 3.55Å; Y155-S168 WeakPolarHBondContact CA-O 3.11Å; W156-S168 PolarHBondContact N-O 3.05Å; W156-S168 PolarHBondContact O-N 2.69Å; S168-V170 PolarHBondContact O-N 3.1Å
169L92.4Very high87.3Confident94 Ų9467.5 Ų67.549%0.49238%0.382SS..EExtended strand (participates in β ladder)trans-66.3132177.5-177.870.4000110.2Y155Y155-L169 HydrophobicContact CD1-CB 4.04Å; Y155-L169 HydrophobicContact CD1-CD1 4.26Å; Y155-L169 HydrophobicContact CD2-CD1 4.36Å; Y155-L169 HydrophobicContact CE1-CB 3.72Å; Y155-L169 HydrophobicContact CE1-CD1 3.78Å; Y155-L169 HydrophobicContact CE1-CG 4.36Å; Y155-L169 HydrophobicContact CE2-CD1 3.89Å
170V92.1Very high87.5Confident24 Ų2467.9 Ų67.915%0.14539%0.385CS..EExtended strand (participates in β ladder)trans-110.2-52.1-177.7-177.90000110.5I154 W156 S168 V187 Q189 A190I154-V170 HydrophobicContact CG2-CB 4.33Å; I154-V170 WeakPolarHBondContact O-CB 3.23Å; I154-V170 PolarHBondContact O-N 3.3Å; W156-V170 HydrophobicContact CB-CG2 3.64Å; S168-V170 PolarHBondContact O-N 3.1Å; V170-V187 HydrophobicContact CG1-CB 4.41Å; V170-V187 HydrophobicContact CG1-CG1 4.44Å; V170-Q189 HydrophobicContact CG1-CB 4.47Å; V170-A190 HydrophobicContact CG1-CB 4.21Å; V170-A190 HydrophobicContact CG2-CB 3.93Å
171D91.9Very high87.7Confident24 Ų2466.4 Ų66.413%0.12838%0.382CS..EExtended strand (participates in β ladder)trans-143149.7179.8-164.91.7000109.8S153 I154 R173 D186S153-D171 CarbonylContact C-O 3.42Å; S153-D171 WeakPolarHBondContact CA-O 3.5Å; I154-D171 PolarHBondContact N-O 2.71Å; I154-D171 PolarHBondContact O-N 3.24Å; D171-R173 IonicContact OD1-CZ 2.83Å; D171-R173 IonicContact OD1-NE 2.8Å; D171-R173 PolarHBondContact OD1-NE 3.19Å; D171-R173 IonicContact OD1-NH2 3.11Å; D171-R173 IonicContact OD2-CZ 3.17Å; D171-R173 IonicContact OD2-NE 2.76Å; D171-R173 PolarHBondContact OD2-NE 2.03Å; D171-R173 IonicContact OD2-NH2 3.6Å; D171-R173 PolarHBondContact OD2-NH2 2.78Å; D171-D186 PolarHBondContact OD2-N 2.97Å; D171-D186 VanDerWaalsContact OD2-N 3.07Å
172S93.4Very high88.1Confident41 Ų4165.2 Ų65.229%0.28736%0.36SS..EExtended strand (participates in β ladder)trans-150.5121.3175.8-172.20000110.4V152 S153V152-S172 WeakPolarHBondContact O-CA 3.47Å; S153-S172 PolarHBondContact OG-OG 2.93Å
173R91.1Very high88.6Confident106 Ų10662.4 Ų62.440%0.434%0.336SS..EExtended strand (participates in β ladder)trans-138.4150.1-174.4-57.2-174.7-171.5-179.62.8111.8R151 V152 D171 S184R151-R173 WeakPolarHBondContact CA-O 3.39Å; V152-R173 PolarHBondContact N-O 2.72Å; V152-R173 PolarHBondContact O-N 3.35Å; D171-R173 IonicContact OD1-CZ 2.83Å; D171-R173 IonicContact OD1-NE 2.8Å; D171-R173 PolarHBondContact OD1-NE 3.19Å; D171-R173 IonicContact OD1-NH2 3.11Å; D171-R173 IonicContact OD2-CZ 3.17Å; D171-R173 IonicContact OD2-NE 2.76Å; D171-R173 PolarHBondContact OD2-NE 2.03Å; D171-R173 IonicContact OD2-NH2 3.6Å; D171-R173 PolarHBondContact OD2-NH2 2.78Å; R173-S184 PolarHBondContact NH1-O 2.96Å
174L91.9Very high89.2Confident78 Ų7861.4 Ų61.441%0.40832%0.32SS..EExtended strand (participates in β ladder)trans-85.7122.8167.4-68.7176.1000108.6N149 A150 R151 E213N149-L174 HydrophobicContact CB-CB 4.22Å; N149-L174 HydrophobicContact CB-CD2 4.47Å; A150-L174 CarbonylContact O-C 3.56Å; A150-L174 WeakPolarHBondContact O-CA 3.43Å; R151-L174 HydrophobicContact CB-CD2 3.95Å; L174-E213 HydrophobicContact CD1-CG 4.22Å; L174-E213 HydrophobicContact CD2-CB 4.01Å; L174-E213 HydrophobicContact CD2-CG 3.89Å
175I91.6Very high89.4Confident12 Ų1259 Ų596%0.06230%0.302CS..EExtended strand (participates in β ladder)trans-117144.3176.868.6174.2000110.8N149 A150 V152 V226 F228N149-I175 CarbonylContact C-O 3.55Å; N149-I175 WeakPolarHBondContact CA-O 3.27Å; A150-I175 PolarHBondContact N-O 2.86Å; A150-I175 PolarHBondContact O-N 3.27Å; V152-I175 HydrophobicContact CB-CD1 4.36Å; V152-I175 HydrophobicContact CG2-CD1 3.43Å; V152-I175 VanDerWaalsContact CG2-CD1 3.43Å; V152-I175 HydrophobicContact CG2-CG1 3.81Å; I175-V226 HydrophobicContact CD1-CG1 3.92Å; I175-F228 HydrophobicContact CD1-CE1 4.47Å; I175-F228 HydrophobicContact CD1-CZ 3.94Å
176P90.9Very high89.3Confident39 Ų3957.9 Ų57.925%0.25330%0.296SS..EExtended strand (participates in β ladder)trans-66.1133.7175.9-24.437.5000111.8Q129 N148 H178 E179Q129-P176 PolarHBondContact NE2-O 2.03Å; N148-P176 WeakPolarHBondContact O-CA 3.47Å; P176-H178 PolarHBondContact O-N 2.03Å; P176-E179 HydrophobicContact CB-CB 4.32Å; P176-E179 VanDerWaalsContact CB-CD 3.49Å; P176-E179 HydrophobicContact CB-CG 3.79Å; P176-E179 HydrophobicContact CG-CG 4.37Å; P176-E179 WeakPolarHBondContact CG-OE1 3.39Å
177I88.6Confident89.4Confident1 Ų151.6 Ų51.61%0.00527%0.272CS..THydrogen-bonded Turntrans-72.7-31.2-174.4-61.4167.9000111.9Q129 V147 N148 A150 M222 V226Q129-I177 PolarHBondContact NE2-O 3.29Å; V147-I177 HydrophobicContact CG1-CD1 4.1Å; N148-I177 PolarHBondContact O-N 2.88Å; A150-I177 HydrophobicContact CB-CD1 4.39Å; A150-I177 HydrophobicContact CB-CG1 3.96Å; I177-M222 HydrophobicContact CD1-CB 3.96Å; I177-V226 HydrophobicContact CB-CG2 4.38Å; I177-V226 HydrophobicContact CG1-CG2 4.12Å; I177-V226 HydrophobicContact CG2-CG2 4.21Å
178H82.8Confident89.1Confident124 Ų12449.4 Ų49.457%0.57426%0.259SS*.THydrogen-bonded Turntrans-97.99.8-170.5-56.1-50.6000114.2P176P176-H178 PolarHBondContact O-N 2.03Å
179E85.6Confident88.6Confident90 Ų9052.3 Ų52.342%0.42127%0.267SS..  trans-94.1146.3177.2-73.7178.6-175.800111.5Q129 P176 K183Q129-E179 VanDerWaalsContact CD-O 3.25Å; Q129-E179 WeakPolarHBondContact CG-O 3.31Å; Q129-E179 PolarHBondContact NE2-O 3.43Å; Q129-E179 VanDerWaalsContact NE2-O 3.16Å; P176-E179 HydrophobicContact CB-CB 4.32Å; P176-E179 VanDerWaalsContact CB-CD 3.49Å; P176-E179 HydrophobicContact CB-CG 3.79Å; P176-E179 HydrophobicContact CG-CG 4.37Å; P176-E179 WeakPolarHBondContact CG-OE1 3.39Å; E179-K183 IonicContact OE2-NZ 2.64Å; E179-K183 PolarHBondContact OE2-NZ 3.11Å
180T86.9Confident88.4Confident76 Ų7647.8 Ų47.847%0.46624%0.244SC..  trans-110.4136.5168.4-64.20000108.1Y128 Q129 A131Y128-T180 HydrophobicContact CE1-CG2 4.07Å; Y128-T180 HydrophobicContact CE2-CG2 4.41Å; Y128-T180 WeakPolarHBondContact OH-CG2 3.44Å; Q129-T180 CarbonylContact O-C 3.45Å; Q129-T180 VanDerWaalsContact O-CA 3.3Å; Q129-T180 WeakPolarHBondContact O-CA 3.4Å; Q129-T180 WeakPolarHBondContact O-CG2 3.29Å; A131-T180 WeakPolarHBondContact CB-OG1 3.27Å; A131-T180 PolarHBondContact N-OG1 2.9Å
181G86.8Confident88.1Confident18 Ų1846.7 Ų46.719%0.18624%0.237CC..EExtended strand (participates in β ladder)trans151.6176.5174.300000113.3Q129Q129-G181 PolarHBondContact N-O 3.28Å; Q129-G181 PolarHBondContact O-N 2.84Å
182W85.2Confident87.6Confident104 Ų10448.5 Ų48.539%0.39425%0.245SC..EExtended strand (participates in β ladder)trans-69.5130176.1-70.4104.2000111.2K126 Y128 Q231K126-W182 HydrophobicContact CB-CE3 3.98Å; K126-W182 HydrophobicContact CB-CZ3 4.07Å; Y128-W182 AromaticContact CD2-CD1 3.94Å; Y128-W182 AromaticContact CD2-CD2 3.89Å; Y128-W182 HydrophobicContact CD2-CD2 3.89Å; Y128-W182 AromaticContact CD2-CE2 3.77Å; Y128-W182 HydrophobicContact CD2-CG 4.02Å; Y128-W182 HydrophobicContact CD2-CZ2 4.34Å; Y128-W182 AromaticContact CD2-NE1 3.77Å; Y128-W182 HydrophobicContact CG-CD2 4.49Å; W182-Q231 HydrophobicContact CZ2-CB 4.12Å
183K88.4Confident87.1Confident38 Ų3852.4 Ų52.417%0.16525%0.254CS..EExtended strand (participates in β ladder)trans-113.4115.2170.9-57.3-57.4-177.2-174.80107.8L127 Q129 E179 F185 F228L127-K183 PolarHBondContact N-O 3.08Å; L127-K183 PolarHBondContact O-N 3.11Å; Q129-K183 HydrophobicContact CB-CG 4.12Å; E179-K183 IonicContact OE2-NZ 2.64Å; E179-K183 PolarHBondContact OE2-NZ 3.11Å; K183-F185 HydrophobicContact CB-CE2 3.76Å; K183-F185 HydrophobicContact CB-CZ 4.09Å; K183-F228 HydrophobicContact CB-CE1 4.4Å; K183-F228 HydrophobicContact CG-CE1 4.32Å
184S87.9Confident86.9Confident40 Ų4048.1 Ų48.128%0.2824%0.238SC..EExtended strand (participates in β ladder)trans-92.2133.3172.5-71.60000109.9E124 L125 K126 R173E124-S184 WeakPolarHBondContact OE2-CB 3.33Å; E124-S184 PolarHBondContact OE2-OG 2.88Å; L125-S184 WeakPolarHBondContact O-CA 3.48Å; K126-S184 WeakPolarHBondContact CE-OG 3.48Å; R173-S184 PolarHBondContact NH1-O 2.96Å
185F89.9Confident86.3Confident3 Ų346.6 Ų46.61%0.01323%0.233CC..EExtended strand (participates in β ladder)trans-123.3140.6174.5-59.4-91.9000110.8E124 L125 L127 V152 I154 K183 V187 F228E124-F185 CarbonylContact C-O 3.55Å; E124-F185 VanDerWaalsContact CA-O 3.31Å; E124-F185 WeakPolarHBondContact CA-O 3.36Å; L125-F185 PolarHBondContact N-O 3.31Å; L125-F185 PolarHBondContact O-N 2.92Å; L127-F185 HydrophobicContact CD1-CD2 4.4Å; L127-F185 HydrophobicContact CD1-CE2 4.06Å; V152-F185 HydrophobicContact CB-CE1 4.08Å; V152-F185 HydrophobicContact CB-CZ 4.1Å; V152-F185 HydrophobicContact CG1-CE1 3.81Å; V152-F185 HydrophobicContact CG1-CZ 3.62Å; I154-F185 HydrophobicContact CD1-CB 3Å; I154-F185 HydrophobicContact CD1-CD1 3.49Å; I154-F185 VanDerWaalsContact CD1-CD1 3.49Å; I154-F185 HydrophobicContact CD1-CD2 3.73Å; I154-F185 HydrophobicContact CD1-CE1 4.32Å; I154-F185 HydrophobicContact CD1-CG 3.14Å; I154-F185 HydrophobicContact CG1-CB 4.49Å; I154-F185 HydrophobicContact CG1-CG 4.45Å; K183-F185 HydrophobicContact CB-CE2 3.76Å; K183-F185 HydrophobicContact CB-CZ 4.09Å; F185-V187 PolarHBondContact O-N 2.75Å; F185-F228 HydrophobicContact CE2-CZ 4.4Å; F185-F228 HydrophobicContact CZ-CZ 4.3Å
186D85.9Confident85.4Confident62 Ų6254.2 Ų54.233%0.33227%0.266SS..EExtended strand (participates in β ladder)trans-80.4114.3-177.8-175-13.6000109.5D171 T188D171-D186 PolarHBondContact OD2-N 2.97Å; D171-D186 VanDerWaalsContact OD2-N 3.07Å; D186-T188 WeakPolarHBondContact OD1-CB 3.46Å; D186-T188 PolarHBondContact OD1-N 3.07Å; D186-T188 PolarHBondContact OD1-OG1 2.92Å
187V90.4Very high84.5Confident0 Ų054.9 Ų54.90%027%0.27CS..  trans-117.118179.5-61.40000112.3A123 L125 I154 V170 F185 Q189 A190 V191 L206 L243A123-V187 HydrophobicContact CB-CG2 3.88Å; A123-V187 PolarHBondContact O-N 2.73Å; L125-V187 HydrophobicContact CB-CG1 3.77Å; L125-V187 HydrophobicContact CB-CG2 4.12Å; I154-V187 HydrophobicContact CD1-CG1 4.38Å; I154-V187 HydrophobicContact CG2-CG1 3.92Å; V170-V187 HydrophobicContact CG1-CB 4.41Å; V170-V187 HydrophobicContact CG1-CG1 4.44Å; F185-V187 PolarHBondContact O-N 2.75Å; V187-Q189 VanDerWaalsContact C-N 3.27Å; V187-Q189 PolarHBondContact O-N 3.3Å; V187-A190 HydrophobicContact CB-CB 4.43Å; V187-A190 WeakPolarHBondContact O-CB 3.28Å; V187-A190 PolarHBondContact O-N 3.49Å; V187-V191 PolarHBondContact O-N 2.74Å; V187-L206 HydrophobicContact CB-CD1 4.34Å; V187-L206 HydrophobicContact CG1-CD1 4.11Å; V187-L206 HydrophobicContact CG2-CD1 4.44Å; V187-L243 HydrophobicContact CG2-CD1 3.45Å; V187-L243 VanDerWaalsContact CG2-CD1 3.45Å
188T84.3Confident82.8Confident17 Ų1764.6 Ų64.610%0.10432%0.315CS..Hα-helixtrans-54.5-43.2-177.5-520000111.8M122 A123 D186 A190 V191 H192M122-T188 WeakPolarHBondContact CA-OG1 3.01Å; A123-T188 PolarHBondContact N-OG1 3.2Å; D186-T188 WeakPolarHBondContact OD1-CB 3.46Å; D186-T188 PolarHBondContact OD1-N 3.07Å; D186-T188 PolarHBondContact OD1-OG1 2.92Å; T188-A190 VanDerWaalsContact C-N 3.35Å; T188-A190 PolarHBondContact O-N 2.81Å; T188-V191 PolarHBondContact O-N 3.18Å; T188-H192 PolarHBondContact O-CD2 2.9Å; T188-H192 PolarHBondContact O-N 3.08Å
189Q82.7Confident81.7Confident107 Ų10764.3 Ų64.350%0.531%0.314SS..Hα-helixtrans-62.9-39.7178.2-66.2-172-9.500112.7V170 V187 H192 Y193V170-Q189 HydrophobicContact CG1-CB 4.47Å; V187-Q189 VanDerWaalsContact C-N 3.27Å; V187-Q189 PolarHBondContact O-N 3.3Å; Q189-H192 PolarHBondContact O-N 2.91Å; Q189-Y193 HydrophobicContact CB-CD2 4.42Å; Q189-Y193 HydrophobicContact CB-CE2 4.05Å; Q189-Y193 WeakPolarHBondContact O-CD2 3.21Å; Q189-Y193 PolarHBondContact O-N 2.78Å
190A88.3Confident80.5Confident0 Ų066.1 Ų66.10%032%0.323CS..Hα-helixtrans-62.1-45178.400000111.3W156 V170 V187 T188 H192 Y193 W194 M204 L206W156-A190 HydrophobicContact CB-CB 4.03Å; W156-A190 HydrophobicContact CE3-CB 4.12Å; V170-A190 HydrophobicContact CG1-CB 4.21Å; V170-A190 HydrophobicContact CG2-CB 3.93Å; V187-A190 HydrophobicContact CB-CB 4.43Å; V187-A190 WeakPolarHBondContact O-CB 3.28Å; V187-A190 PolarHBondContact O-N 3.49Å; T188-A190 VanDerWaalsContact C-N 3.35Å; T188-A190 PolarHBondContact O-N 2.81Å; A190-H192 VanDerWaalsContact C-N 3.33Å; A190-H192 PolarHBondContact O-N 2.04Å; A190-Y193 PolarHBondContact O-N 3.04Å; A190-W194 WeakPolarHBondContact O-CB 3.38Å; A190-W194 PolarHBondContact O-N 2.91Å; A190-M204 HydrophobicContact CB-SD 4.49Å; A190-L206 HydrophobicContact CB-CD2 3.8Å
191V86.2Confident79.6Confident0 Ų071 Ų710%034%0.337CS..Hα-helixtrans-63.2-40177.2-179.40000111.1M110 I114 V120 A123 V187 T188 W194 S195 M204 L245M110-V191 HydrophobicContact CE-CG1 4.09Å; M110-V191 HydrophobicContact CE-CG2 4.47Å; I114-V191 HydrophobicContact CD1-CG1 4.37Å; V120-V191 HydrophobicContact CB-CG1 4.34Å; V120-V191 HydrophobicContact CG1-CB 4.46Å; V120-V191 HydrophobicContact CG1-CG1 3.93Å; V120-V191 HydrophobicContact CG2-CG1 3.96Å; A123-V191 HydrophobicContact CB-CB 4.38Å; A123-V191 HydrophobicContact CB-CG2 3.62Å; V187-V191 PolarHBondContact O-N 2.74Å; T188-V191 PolarHBondContact O-N 3.18Å; V191-W194 PolarHBondContact O-N 3.06Å; V191-S195 VanDerWaalsContact O-CB 3.26Å; V191-S195 WeakPolarHBondContact O-CB 3.46Å; V191-S195 PolarHBondContact O-N 3.22Å; V191-M204 HydrophobicContact CG2-CE 3.84Å; V191-M204 HydrophobicContact CG2-SD 4.08Å; V191-L245 HydrophobicContact CG1-CD2 4.28Å; V191-L245 HydrophobicContact CG2-CD2 3.96Å
192H81.3Confident79.3Confident63 Ų6371.8 Ų71.829%0.29234%0.342SS..Hα-helixtrans-65.1-39.5174.4-72.6-51.3000113.5V120 T188 Q189 A190 K196V120-H192 PolarHBondContact O-CE1 2.87Å; T188-H192 PolarHBondContact O-CD2 2.9Å; T188-H192 PolarHBondContact O-N 3.08Å; Q189-H192 PolarHBondContact O-N 2.91Å; A190-H192 VanDerWaalsContact C-N 3.33Å; A190-H192 PolarHBondContact O-N 2.04Å; H192-K196 WeakPolarHBondContact O-CG 3.46Å; H192-K196 PolarHBondContact O-N 2.84Å
193Y83Confident79.4Confident122 Ų12269.5 Ų69.548%0.47834%0.341SS..Hα-helixtrans-65.6-45176.3-71.3-52.4000111.4Q189 A190 K196 T197Q189-Y193 HydrophobicContact CB-CD2 4.42Å; Q189-Y193 HydrophobicContact CB-CE2 4.05Å; Q189-Y193 WeakPolarHBondContact O-CD2 3.21Å; Q189-Y193 PolarHBondContact O-N 2.78Å; A190-Y193 PolarHBondContact O-N 3.04Å; Y193-K196 PolarHBondContact O-N 2.93Å; Y193-T197 PolarHBondContact O-N 2.85Å; Y193-T197 PolarHBondContact O-OG1 2.85Å
194W85.5Confident79.5Confident17 Ų1767.7 Ų67.76%0.06433%0.333CS..Hα-helixtrans-57.5-51.4173.8173.576.3000111.6M110 I114 W156 A190 V191 K196 T197 Q200 A202 M204M110-W194 HydrophobicContact CB-CD2 4.31Å; M110-W194 HydrophobicContact CB-CE3 4.28Å; M110-W194 HydrophobicContact CB-CH2 3.23Å; M110-W194 HydrophobicContact CB-CZ2 3.24Å; M110-W194 HydrophobicContact CB-CZ3 3.76Å; M110-W194 HydrophobicContact CE-CE3 4.06Å; M110-W194 HydrophobicContact CE-CZ3 4.03Å; M110-W194 HydrophobicContact CG-CD2 4.25Å; M110-W194 HydrophobicContact CG-CE3 4.38Å; M110-W194 HydrophobicContact CG-CH2 4.17Å; M110-W194 HydrophobicContact CG-CZ2 4.01Å; M110-W194 HydrophobicContact CG-CZ3 4.32Å; I114-W194 HydrophobicContact CD1-CZ3 3.76Å; W156-W194 HydrophobicContact CH2-CB 3.57Å; W156-W194 AromaticContact CH2-CD1 3.76Å; W156-W194 HydrophobicContact CH2-CG 4.04Å; W156-W194 HydrophobicContact CZ2-CB 4.33Å; W156-W194 HydrophobicContact CZ3-CB 3.71Å; W156-W194 HydrophobicContact CZ3-CG 4.29Å; A190-W194 WeakPolarHBondContact O-CB 3.38Å; A190-W194 PolarHBondContact O-N 2.91Å; V191-W194 PolarHBondContact O-N 3.06Å; W194-K196 VanDerWaalsContact C-N 3.27Å; W194-K196 PolarHBondContact O-N 2.81Å; W194-T197 WeakPolarHBondContact O-CB 3.22Å; W194-T197 PolarHBondContact O-N 3.5Å; W194-Q200 WeakPolarHBondContact CZ2-O 3.43Å; W194-A202 PolarHBondContact NE1-O 3.49Å; W194-M204 HydrophobicContact CB-SD 4.47Å; W194-M204 HydrophobicContact CG-CB 4.16Å
195S79Confident79.7Confident45 Ų4567.3 Ų67.332%0.31533%0.327SS..Hα-helixtrans-59.4-33.5-177.5175.50000113.8V191V191-S195 VanDerWaalsContact O-CB 3.26Å; V191-S195 WeakPolarHBondContact O-CB 3.46Å; V191-S195 PolarHBondContact O-N 3.22Å
196K74.1Confident79.9Confident172 Ų17267.2 Ų67.275%0.74833%0.326SS*.Hα-helixtrans-78.1-18.7178.5-74.9176.6-178.8176.80113.9H192 Y193 W194H192-K196 WeakPolarHBondContact O-CG 3.46Å; H192-K196 PolarHBondContact O-N 2.84Å; Y193-K196 PolarHBondContact O-N 2.93Å; W194-K196 VanDerWaalsContact C-N 3.27Å; W194-K196 PolarHBondContact O-N 2.81Å
197T72.3Confident80.3Confident54 Ų5465 Ų6533%0.33131%0.314SS..SBendtrans-76.9130-179.6-54.80000107.9Y193 W194 Q199Y193-T197 PolarHBondContact O-N 2.85Å; Y193-T197 PolarHBondContact O-OG1 2.85Å; W194-T197 WeakPolarHBondContact O-CB 3.22Å; W194-T197 PolarHBondContact O-N 3.5Å; T197-Q199 PolarHBondContact O-N 2.86Å
198Q52.8Low80.4Confident204 Ų20465 Ų6595%0.95331%0.314SS*.SBendtrans-60.45.8-175.3-97.6170.3-27.900115.6
199Q58.4Low80.9Confident119 Ų11966.5 Ų66.556%0.55632%0.317SS*.  trans-111.958.4178-66.2176.3-12.300110.1T197 K201 A202T197-Q199 PolarHBondContact O-N 2.86Å; Q199-K201 PolarHBondContact O-N 3.07Å; Q199-A202 HydrophobicContact CB-CB 4.16Å; Q199-A202 WeakPolarHBondContact O-CB 3.5Å; Q199-A202 PolarHBondContact O-N 2.94Å
200Q60.5Low81.5Confident128 Ų12861.8 Ų61.860%0.59830%0.296SS*.THydrogen-bonded Turntrans-58-6176.1-68.8177.6-1000114.3W194W194-Q200 WeakPolarHBondContact CZ2-O 3.43Å
201K67.9Low81.8Confident178 Ų17865.8 Ų65.877%0.77432%0.315SS*.THydrogen-bonded Turntrans-94.4-10.7174.6-61.5-174176.3-171.80114Q199Q199-K201 PolarHBondContact O-N 3.07Å
202A80.3Confident82Confident35 Ų3566.5 Ų66.529%0.28932%0.322SS..SBendtrans-81.7140.6178.700000109.8W194 Q199W194-A202 PolarHBondContact NE1-O 3.49Å; Q199-A202 HydrophobicContact CB-CB 4.16Å; Q199-A202 WeakPolarHBondContact O-CB 3.5Å; Q199-A202 PolarHBondContact O-N 2.94Å
203P88.2Confident82.5Confident56 Ų5666.8 Ų66.836%0.36432%0.323SS..PPolyproline II helixtrans-68.8151.7177.331-36.2000111.2V107 F108V107-P203 HydrophobicContact CG2-CB 3.51Å; V107-P203 HydrophobicContact CG2-CG 3.91Å; F108-P203 WeakPolarHBondContact O-CA 3.49Å
204M90.1Very high82.7Confident0 Ų065.1 Ų65.10%032%0.316CS..EExtended strand (participates in β ladder)trans-84.1133.1175.6156.3154.7106.700110.2V107 F108 M110 W156 A190 V191 W194 L206 L243V107-M204 CarbonylContact C-O 3.49Å; V107-M204 WeakPolarHBondContact CA-O 3Å; F108-M204 HydrophobicContact CB-CB 4.45Å; F108-M204 HydrophobicContact CD2-CE 4.3Å; F108-M204 PolarHBondContact N-O 2.83Å; F108-M204 PolarHBondContact O-N 2.59Å; M110-M204 HydrophobicContact CE-CE 4.4Å; M110-M204 HydrophobicContact CG-CB 3.73Å; M110-M204 HydrophobicContact SD-CB 4.42Å; M110-M204 HydrophobicContact SD-CE 4.18Å; W156-M204 HydrophobicContact CE3-CG 4.11Å; W156-M204 HydrophobicContact CE3-SD 4.15Å; W156-M204 HydrophobicContact CZ3-CB 3.9Å; W156-M204 HydrophobicContact CZ3-CG 3.51Å; W156-M204 HydrophobicContact CZ3-SD 3.82Å; A190-M204 HydrophobicContact CB-SD 4.49Å; V191-M204 HydrophobicContact CG2-CE 3.84Å; V191-M204 HydrophobicContact CG2-SD 4.08Å; W194-M204 HydrophobicContact CB-SD 4.47Å; W194-M204 HydrophobicContact CG-CB 4.16Å; M204-L206 HydrophobicContact CE-CD1 3.99Å; M204-L206 HydrophobicContact CE-CG 4.26Å; M204-L206 HydrophobicContact CG-CG 4.38Å; M204-L243 HydrophobicContact CE-CD1 4.07Å; M204-L243 HydrophobicContact CE-CD2 3.24Å; M204-L243 HydrophobicContact CE-CG 4.3Å
205H92Very high82.8Confident32 Ų3270.9 Ų70.915%0.14836%0.355CS..EExtended strand (participates in β ladder)trans-110.9130.2175.1-63-81.5000111.8M106 V157M106-H205 WeakPolarHBondContact O-CA 3.29Å; V157-H205 HydrophobicContact CB-CB 3.82Å; V157-H205 PolarHBondContact N-O 3.2Å
206L93.9Very high83.2Confident0 Ų070.9 Ų70.90%036%0.363CS..EExtended strand (participates in β ladder)trans-120.9142.3171.2-64.1179.1000109.9M106 F108 L125 I154 Y155 W156 V187 A190 M204M106-L206 PolarHBondContact N-O 2.86Å; M106-L206 PolarHBondContact O-N 3.32Å; F108-L206 HydrophobicContact CD2-CD1 4.34Å; F108-L206 HydrophobicContact CD2-CG 4.46Å; F108-L206 HydrophobicContact CE2-CB 4.25Å; F108-L206 HydrophobicContact CE2-CD1 3.85Å; F108-L206 HydrophobicContact CE2-CG 4.2Å; L125-L206 HydrophobicContact CD2-CD1 4.25Å; I154-L206 HydrophobicContact CG2-CD2 4.4Å; Y155-L206 CarbonylContact O-C 3.53Å; Y155-L206 WeakPolarHBondContact O-CA 3.26Å; W156-L206 HydrophobicContact CE3-CD2 4.46Å; V187-L206 HydrophobicContact CB-CD1 4.34Å; V187-L206 HydrophobicContact CG1-CD1 4.11Å; V187-L206 HydrophobicContact CG2-CD1 4.44Å; A190-L206 HydrophobicContact CB-CD2 3.8Å; M204-L206 HydrophobicContact CE-CD1 3.99Å; M204-L206 HydrophobicContact CE-CG 4.26Å; M204-L206 HydrophobicContact CG-CG 4.38Å
207E94.2Very high83.8Confident15 Ų1567.7 Ų67.77%0.0736%0.362CS..EExtended strand (participates in β ladder)trans-127126.4178.2-164.2174.6-117.200110.7Y98 L104 R105 I154 Y155 V157 W209Y98-E207 PolarHBondContact OH-OE1 3.35Å; L104-E207 CarbonylContact O-C 3.53Å; L104-E207 VanDerWaalsContact O-CA 3.31Å; L104-E207 WeakPolarHBondContact O-CA 3Å; R105-E207 HydrophobicContact CB-CG 4.38Å; I154-E207 CarbonylContact C-O 3.51Å; I154-E207 WeakPolarHBondContact CA-O 3.49Å; Y155-E207 PolarHBondContact N-O 2.68Å; Y155-E207 PolarHBondContact O-N 3.48Å; V157-E207 HydrophobicContact CG2-CB 3.66Å; E207-W209 VanDerWaalsContact CD-NE1 3.34Å; E207-W209 PolarHBondContact OE2-NE1 3.4Å
208V94.3Very high84.5Confident0 Ų068.8 Ų68.80%036%0.361CS..EExtended strand (participates in β ladder)trans-103.2126-179.4178.50000108.6R103 L104 M106 L125 L127 V152 S153 I154 I210 F228R103-V208 CarbonylContact C-O 3.58Å; R103-V208 VanDerWaalsContact CA-O 3.24Å; R103-V208 WeakPolarHBondContact CA-O 3.38Å; L104-V208 HydrophobicContact CB-CB 4.25Å; L104-V208 HydrophobicContact CD1-CB 4.01Å; L104-V208 HydrophobicContact CD1-CG1 4.02Å; L104-V208 PolarHBondContact N-O 3.16Å; L104-V208 PolarHBondContact O-N 2.61Å; M106-V208 HydrophobicContact CE-CB 4.4Å; M106-V208 HydrophobicContact CE-CG2 3.29Å; L125-V208 HydrophobicContact CD2-CG2 4.26Å; L127-V208 HydrophobicContact CD1-CG2 3.94Å; V152-V208 HydrophobicContact CG1-CG1 3.6Å; S153-V208 CarbonylContact O-C 3.52Å; S153-V208 WeakPolarHBondContact O-CA 3.43Å; I154-V208 HydrophobicContact CG1-CG2 4.09Å; V208-I210 HydrophobicContact CG1-CG1 4.37Å; V208-F228 HydrophobicContact CG1-CE2 4.22Å
209W94.8Very high86.2Confident49 Ų4959.1 Ų59.119%0.18632%0.316CS..EExtended strand (participates in β ladder)trans-113126.9178.3-68.529.8000108.9T102 V152 S153 Y155 E207T102-W209 WeakPolarHBondContact O-CA 3.01Å; V152-W209 WeakPolarHBondContact CA-O 3.37Å; S153-W209 PolarHBondContact N-O 2.98Å; S153-W209 PolarHBondContact O-N 3.16Å; Y155-W209 HydrophobicContact CD2-CB 4.43Å; Y155-W209 AromaticContact CD2-CD1 3.72Å; Y155-W209 HydrophobicContact CD2-CD2 4.06Å; Y155-W209 AromaticContact CD2-CG 3.85Å; Y155-W209 HydrophobicContact CD2-CG 3.85Å; Y155-W209 AromaticContact CD2-NE1 3.87Å; Y155-W209 HydrophobicContact CE2-CB 4.02Å; Y155-W209 AromaticContact CE2-CD2 3.66Å; Y155-W209 HydrophobicContact CE2-CD2 3.66Å; Y155-W209 HydrophobicContact CE2-CE3 4.04Å; Y155-W209 AromaticContact CE2-CG 3.66Å; Y155-W209 HydrophobicContact CE2-CG 3.66Å; E207-W209 VanDerWaalsContact CD-NE1 3.34Å; E207-W209 PolarHBondContact OE2-NE1 3.4Å
210I94Very high87.7Confident9 Ų955.4 Ų55.45%0.04631%0.306CS..EExtended strand (participates in β ladder)trans-110.2115.8179.2-53.7172.3000108.1T102 L104 A150 V152 V208 A223 V226 F228T102-I210 PolarHBondContact O-N 3.18Å; L104-I210 HydrophobicContact CD1-CD1 3.9Å; L104-I210 HydrophobicContact CD1-CG1 4.44Å; A150-I210 HydrophobicContact CB-CG2 4.48Å; V152-I210 HydrophobicContact CG2-CG1 4.31Å; V208-I210 HydrophobicContact CG1-CG1 4.37Å; I210-A223 HydrophobicContact CG2-CB 4.18Å; I210-A223 WeakPolarHBondContact CG2-O 3.23Å; I210-V226 HydrophobicContact CD1-CG1 4.25Å; I210-V226 HydrophobicContact CG2-CB 4.14Å; I210-F228 HydrophobicContact CD1-CD2 4.16Å; I210-F228 HydrophobicContact CD1-CE2 3.99Å; I210-F228 HydrophobicContact CG1-CE2 4.39Å
211E94.1Very high88.9Confident84 Ų8454.4 Ų54.439%0.39330%0.301SS..EExtended strand (participates in β ladder)trans-127.8158.6-175-61.1-176.9142.600111.1R151 A223R151-E211 HydrophobicContact CB-CB 4.36Å; R151-E211 PolarHBondContact N-O 3.38Å; R151-E211 PolarHBondContact O-N 2.91Å; E211-A223 VanDerWaalsContact C-CB 3.48Å; E211-A223 WeakPolarHBondContact O-CB 2.97Å
212G91.6Very high89.8Confident15 Ų1547.5 Ų47.516%0.15527%0.272CS..EExtended strand (participates in β ladder)trans-61.4144.6170.400000111R214 A219G212-R214 PolarHBondContact O-N 3.37Å; G212-A219 WeakPolarHBondContact CA-O 3.32Å
213E90.5Very high90.2Very high68 Ų6845.9 Ų45.932%0.31826%0.259SS..SBendtrans-53.2-27.3171.1173.5177.2-157.100112.3N149 L174N149-E213 WeakPolarHBondContact O-CB 3.45Å; L174-E213 HydrophobicContact CD1-CG 4.22Å; L174-E213 HydrophobicContact CD2-CB 4.01Å; L174-E213 HydrophobicContact CD2-CG 3.89Å
214R88.9Confident90.2Very high88 Ų8849.8 Ų49.833%0.33227%0.266SS..SBendtrans-143.1158.7179.460.9-175.6174.4140.31.8111.9R145 G212 A219R145-R214 PolarHBondContact O-NH2 3.4Å; G212-R214 PolarHBondContact O-N 3.37Å; R214-A219 HydrophobicContact CG-CB 3.81Å; R214-A219 VanDerWaalsContact O-CB 3.28Å; R214-A219 WeakPolarHBondContact O-CB 3.06Å
215P87Confident90Very high137 Ų13750.9 Ų50.989%0.8927%0.274SS*.SBendtrans-59.8136.8172.9-21.933.3000111.9
216G87.4Confident89.8Confident46 Ų4649.5 Ų49.547%0.47427%0.268SS..SBendtrans141.8148.4175.600000113Y218 A219 A220G216-Y218 VanDerWaalsContact C-N 3.33Å; G216-Y218 PolarHBondContact O-N 3.37Å; G216-A219 PolarHBondContact O-N 3.03Å; G216-A220 PolarHBondContact O-N 3.45Å
217S87Confident89.3Confident104 Ų10455.7 Ų55.773%0.72729%0.291SS*.Hα-helixtrans-58.8-42.6-178.251.70000112.5A220 E221S217-A220 PolarHBondContact O-N 3.21Å; S217-E221 WeakPolarHBondContact O-CB 3.48Å; S217-E221 PolarHBondContact O-N 2.78Å
218Y87.1Confident88.9Confident77 Ų7755.4 Ų55.430%0.30229%0.29SS..Hα-helixtrans-63.4-45179.2-177.5-113.1000112.7H144 V147 G216 E221 M222H144-Y218 HydrophobicContact CB-CD1 3.86Å; H144-Y218 HydrophobicContact CB-CE1 3.95Å; H144-Y218 HydrophobicContact CB-CG 4.28Å; V147-Y218 HydrophobicContact CB-CE1 4.42Å; V147-Y218 HydrophobicContact CG2-CD1 3.89Å; V147-Y218 HydrophobicContact CG2-CE1 3.89Å; G216-Y218 VanDerWaalsContact C-N 3.33Å; G216-Y218 PolarHBondContact O-N 3.37Å; Y218-E221 PolarHBondContact O-N 3.32Å; Y218-M222 HydrophobicContact CD2-CG 4.45Å; Y218-M222 HydrophobicContact CE1-CG 4.16Å; Y218-M222 HydrophobicContact CE2-CG 4.09Å; Y218-M222 HydrophobicContact CE2-SD 4.21Å; Y218-M222 WeakPolarHBondContact O-CB 3.04Å; Y218-M222 VanDerWaalsContact O-CG 3.26Å; Y218-M222 WeakPolarHBondContact O-CG 3.42Å; Y218-M222 PolarHBondContact O-N 3.06Å
219A88Confident88.1Confident2 Ų256.9 Ų56.92%0.01730%0.299CS..Hα-helixtrans-67.9-3717900000112V147 G212 R214 G216 M222 A223V147-A219 HydrophobicContact CG1-CB 4.42Å; V147-A219 HydrophobicContact CG2-CB 4.13Å; G212-A219 WeakPolarHBondContact CA-O 3.32Å; R214-A219 HydrophobicContact CG-CB 3.81Å; R214-A219 VanDerWaalsContact O-CB 3.28Å; R214-A219 WeakPolarHBondContact O-CB 3.06Å; G216-A219 PolarHBondContact O-N 3.03Å; A219-M222 PolarHBondContact O-N 2.95Å; A219-A223 WeakPolarHBondContact O-CB 3.3Å; A219-A223 PolarHBondContact O-N 3.36Å
220A89.8Confident86.8Confident41 Ų4156.7 Ų56.734%0.33930%0.303SS..Hα-helixtrans-66.1-40.2174.400000112.3G216 S217 A223 R224G216-A220 PolarHBondContact O-N 3.45Å; S217-A220 PolarHBondContact O-N 3.21Å; A220-A223 PolarHBondContact O-N 3Å; A220-R224 WeakPolarHBondContact O-CG 3.29Å; A220-R224 PolarHBondContact O-N 3.49Å
221E86.4Confident85.3Confident107 Ų10761.9 Ų61.950%0.533%0.327SS..Hα-helixtrans-64.6-43.5175.4-174.4175.7-168.200111.7S217 Y218 A223 R224S217-E221 WeakPolarHBondContact O-CB 3.48Å; S217-E221 PolarHBondContact O-N 2.78Å; Y218-E221 PolarHBondContact O-N 3.32Å; E221-A223 VanDerWaalsContact C-N 3.31Å; E221-A223 PolarHBondContact O-N 3.29Å; E221-R224 WeakPolarHBondContact O-CB 3.04Å; E221-R224 PolarHBondContact O-N 2.83Å
222M86.9Confident83.7Confident32 Ų3265.5 Ų65.516%0.15834%0.344CS..Hα-helixtrans-61.7-39.7174.7-70.7-58.4-58.900111.7V147 I177 Y218 A219 R224 S225V147-M222 HydrophobicContact CB-CB 4.31Å; V147-M222 HydrophobicContact CB-CG 4.26Å; V147-M222 HydrophobicContact CG1-CB 4.11Å; I177-M222 HydrophobicContact CD1-CB 3.96Å; Y218-M222 HydrophobicContact CD2-CG 4.45Å; Y218-M222 HydrophobicContact CE1-CG 4.16Å; Y218-M222 HydrophobicContact CE2-CG 4.09Å; Y218-M222 HydrophobicContact CE2-SD 4.21Å; Y218-M222 WeakPolarHBondContact O-CB 3.04Å; Y218-M222 VanDerWaalsContact O-CG 3.26Å; Y218-M222 WeakPolarHBondContact O-CG 3.42Å; Y218-M222 PolarHBondContact O-N 3.06Å; A219-M222 PolarHBondContact O-N 2.95Å; M222-R224 VanDerWaalsContact C-N 3.32Å; M222-R224 PolarHBondContact O-N 2.79Å; M222-S225 WeakPolarHBondContact O-CB 3.41Å; M222-S225 PolarHBondContact O-N 2.61Å; M222-S225 VanDerWaalsContact O-N 3.08Å; M222-S225 PolarHBondContact O-OG 2.79Å
223A88.9Confident82Confident2 Ų273.1 Ų73.12%0.01738%0.375CS..Hα-helixtrans-62.7-34.2177.400000113.5A150 I210 E211 A219 A220 E221 S225 V226A150-A223 HydrophobicContact CB-CB 3.85Å; I210-A223 HydrophobicContact CG2-CB 4.18Å; I210-A223 WeakPolarHBondContact CG2-O 3.23Å; E211-A223 VanDerWaalsContact C-CB 3.48Å; E211-A223 WeakPolarHBondContact O-CB 2.97Å; A219-A223 WeakPolarHBondContact O-CB 3.3Å; A219-A223 PolarHBondContact O-N 3.36Å; A220-A223 PolarHBondContact O-N 3Å; E221-A223 VanDerWaalsContact C-N 3.31Å; E221-A223 PolarHBondContact O-N 3.29Å; A223-S225 PolarHBondContact O-N 3.38Å; A223-V226 WeakPolarHBondContact O-CB 3.09Å; A223-V226 PolarHBondContact O-N 3.08Å
224R87.4Confident80.1Confident137 Ų13775.2 Ų75.252%0.51739%0.393SS..THydrogen-bonded Turntrans-62.6-12.6174.3-67.9173.9-178.7172.9-1.4114T102 A220 E221 M222 V226T102-R224 HydrophobicContact CG2-CG 3.96Å; A220-R224 WeakPolarHBondContact O-CG 3.29Å; A220-R224 PolarHBondContact O-N 3.49Å; E221-R224 WeakPolarHBondContact O-CB 3.04Å; E221-R224 PolarHBondContact O-N 2.83Å; M222-R224 VanDerWaalsContact C-N 3.32Å; M222-R224 PolarHBondContact O-N 2.79Å; R224-V226 VanDerWaalsContact C-N 3.28Å
225S85Confident78.3Confident24 Ų2478.4 Ų78.417%0.16842%0.417CS..THydrogen-bonded Turntrans-75.2-19.5173.8-57.60000112.6M222 A223 R227M222-S225 WeakPolarHBondContact O-CB 3.41Å; M222-S225 PolarHBondContact O-N 2.61Å; M222-S225 VanDerWaalsContact O-N 3.08Å; M222-S225 PolarHBondContact O-OG 2.79Å; A223-S225 PolarHBondContact O-N 3.38Å; S225-R227 PolarHBondContact O-N 3.42Å
226V87.6Confident76.7Confident2 Ų279.9 Ų79.91%0.01242%0.417CS..  trans-70.8118.5171.6177.10000108.5Q129 A150 I175 I177 I210 A223 R224 F228Q129-V226 HydrophobicContact CG-CG1 4.48Å; A150-V226 HydrophobicContact CB-CG2 3.74Å; I175-V226 HydrophobicContact CD1-CG1 3.92Å; I177-V226 HydrophobicContact CB-CG2 4.38Å; I177-V226 HydrophobicContact CG1-CG2 4.12Å; I177-V226 HydrophobicContact CG2-CG2 4.21Å; I210-V226 HydrophobicContact CD1-CG1 4.25Å; I210-V226 HydrophobicContact CG2-CB 4.14Å; A223-V226 WeakPolarHBondContact O-CB 3.09Å; A223-V226 PolarHBondContact O-N 3.08Å; R224-V226 VanDerWaalsContact C-N 3.28Å; V226-F228 HydrophobicContact CG1-CE2 4.06Å; V226-F228 HydrophobicContact CG1-CZ 4.03Å
227R85Confident75.2Confident131 Ų13180.2 Ų80.249%0.49442%0.415SS..EExtended strand (participates in β ladder)trans-129.2128.1176.8-64.2-171.4-178.2-167.51.3110Q129 R130 S225Q129-R227 WeakPolarHBondContact CA-O 3.5Å; R130-R227 PolarHBondContact N-O 2.89Å; S225-R227 PolarHBondContact O-N 3.42Å
228F85.9Confident73.9Confident9 Ų979 Ų794%0.03940%0.4CS..EExtended strand (participates in β ladder)trans-94.6134.8171.4-61.6-66.9000109.8L104 L127 Y128 Q129 V152 I175 K183 F185 V208 I210 V226L104-F228 HydrophobicContact CD1-CD2 4.23Å; L104-F228 HydrophobicContact CD2-CB 4.4Å; L127-F228 HydrophobicContact CB-CB 4.31Å; L127-F228 HydrophobicContact CB-CD1 3.46Å; L127-F228 VanDerWaalsContact CB-CD1 3.46Å; L127-F228 HydrophobicContact CB-CE1 3.83Å; L127-F228 HydrophobicContact CB-CG 3.9Å; L127-F228 HydrophobicContact CD1-CD1 4.34Å; L127-F228 HydrophobicContact CD1-CD2 4.13Å; L127-F228 HydrophobicContact CD1-CE1 4.43Å; L127-F228 HydrophobicContact CD1-CE2 4.22Å; L127-F228 HydrophobicContact CD1-CG 4.19Å; L127-F228 HydrophobicContact CD1-CZ 4.37Å; Y128-F228 CarbonylContact O-C 3.59Å; Y128-F228 VanDerWaalsContact O-CA 3.25Å; Y128-F228 WeakPolarHBondContact O-CA 3.08Å; Q129-F228 HydrophobicContact CB-CD1 4.09Å; Q129-F228 HydrophobicContact CB-CE1 3.95Å; V152-F228 HydrophobicContact CG1-CE2 4.27Å; V152-F228 HydrophobicContact CG1-CZ 4.31Å; V152-F228 HydrophobicContact CG2-CE2 4.44Å; V152-F228 HydrophobicContact CG2-CZ 4.3Å; I175-F228 HydrophobicContact CD1-CE1 4.47Å; I175-F228 HydrophobicContact CD1-CZ 3.94Å; K183-F228 HydrophobicContact CB-CE1 4.4Å; K183-F228 HydrophobicContact CG-CE1 4.32Å; F185-F228 HydrophobicContact CE2-CZ 4.4Å; F185-F228 HydrophobicContact CZ-CZ 4.3Å; V208-F228 HydrophobicContact CG1-CE2 4.22Å; I210-F228 HydrophobicContact CD1-CD2 4.16Å; I210-F228 HydrophobicContact CD1-CE2 3.99Å; I210-F228 HydrophobicContact CG1-CE2 4.39Å; V226-F228 HydrophobicContact CG1-CE2 4.06Å; V226-F228 HydrophobicContact CG1-CZ 4.03Å
229T76Confident72.8Confident31 Ų3175.7 Ų75.719%0.1939%0.389CS..EExtended strand (participates in β ladder)trans-154.7-178.9-172.7-175.10000111.7Y128 R130Y128-T229 WeakPolarHBondContact CB-O 3.06Å; Y128-T229 HydrophobicContact CD1-CG2 4.22Å; Y128-T229 PolarHBondContact O-N 2.82Å; R130-T229 HydrophobicContact CB-CG2 3.5Å; R130-T229 HydrophobicContact CG-CG2 4.36Å
230T69.1Low72.1Confident44 Ų4481.8 Ų81.827%0.2742%0.415SS..  trans-68.5156.517143.30000111.8E232T230-E232 PolarHBondContact OG1-O 2.89Å
231Q62.1Low71.7Confident118 Ų11879.9 Ų79.955%0.55140%0.4SS*.SBendtrans-74.4-31162.5-173.6171.6-9.900112.4Y128 W182Y128-Q231 HydrophobicContact CE2-CG 4.42Å; W182-Q231 HydrophobicContact CZ2-CB 4.12Å
232E59.4Low71.6Confident160 Ų16077.6 Ų77.675%0.74839%0.389SS*.SBendtrans-82.6128.2-179.2-69.5-173.616300112.8T230 T234T230-E232 PolarHBondContact OG1-O 2.89Å; E232-T234 PolarHBondContact O-N 2.77Å
233Q57.1Low71.6Confident175 Ų17576.1 Ų76.182%0.81838%0.382SS*.  trans-86.678.8-174.8-72.7176.410.100111.8
234T50.6Low71.3Confident113 Ų11376.7 Ų76.769%0.69338%0.384SS*.SBendtrans-144.4113.1156.344.20000109.3E232E232-T234 PolarHBondContact O-N 2.77Å
235D50.3Low70.8Confident154 Ų15470.3 Ų70.382%0.82436%0.36SS*.SBendtrans61.8163.7178.8-70.3-34000117.3A237D235-A237 PolarHBondContact O-N 3.38Å
236N53.8Low70.1Confident169 Ų16971 Ų7190%0.90436%0.36SS*.SBendtrans-67.338.3176.6-64.6-50.4000112.3
237A55.4Low69Low52 Ų5271.4 Ų71.443%0.4336%0.362SS..PPolyproline II helixtrans-76.7129.5175.200000109.3D235 G239D235-A237 PolarHBondContact O-N 3.38Å; A237-G239 PolarHBondContact O-N 2.78Å
238L61Low67.6Low79 Ų7965.8 Ų65.841%0.41434%0.342SS..PPolyproline II helixtrans-69.4119.1170.3-73.3159.7000108.1Y96Y96-L238 HydrophobicContact CD2-CB 3.72Å; Y96-L238 HydrophobicContact CD2-CD1 4.34Å; Y96-L238 HydrophobicContact CE2-CB 3.6Å; Y96-L238 HydrophobicContact CG-CD1 4.5Å
239G64Low66.1Low7 Ų767.9 Ų67.97%0.07235%0.354CS..PPolyproline II helixtrans-67.8137177.700000113Y96 A237Y96-G239 WeakPolarHBondContact CE2-O 3.11Å; Y96-G239 PolarHBondContact OH-O 2.7Å; A237-G239 PolarHBondContact O-N 2.78Å
240K72.8Confident64.9Low130 Ų13069.3 Ų69.357%0.56536%0.359SS*.PPolyproline II helixtrans-53.6124.3179.8-65.7-167178.3-167.20109
241P81.8Confident64Low2 Ų274.1 Ų74.11%0.01338%0.379CS..PPolyproline II helixtrans-66.5139176.929.9-36.9000109.4G94 Y96 M106 F108 L125 L127G94-P241 PolarHBondContact N-O 2.78Å; G94-P241 WeakPolarHBondContact O-CD 3.45Å; Y96-P241 HydrophobicContact CE2-CG 4.46Å; M106-P241 HydrophobicContact CB-CG 4.07Å; M106-P241 HydrophobicContact CG-CB 4.21Å; M106-P241 HydrophobicContact CG-CG 3.76Å; M106-P241 HydrophobicContact SD-CB 3.28Å; M106-P241 WeakPolarHBondContact SD-CB 3.5Å; M106-P241 HydrophobicContact SD-CG 3.53Å; M106-P241 VanDerWaalsContact SD-CG 3.53Å; F108-P241 HydrophobicContact CE1-CB 4.3Å; F108-P241 HydrophobicContact CE1-CG 4.11Å; F108-P241 HydrophobicContact CZ-CB 3.97Å; F108-P241 HydrophobicContact CZ-CG 3.91Å; L125-P241 HydrophobicContact CD1-CB 4.38Å; L127-P241 HydrophobicContact CD2-CB 4.07Å
242E83.1Confident63.1Low59 Ų5974.5 Ų74.528%0.27638%0.381SS..EExtended strand (participates in β ladder)trans-105.2120.9-178-70.4173.7-176.300109.4D91 K126D91-E242 HydrophobicContact CB-CG 4.23Å; K126-E242 HydrophobicContact CB-CB 4.43Å; K126-E242 PolarHBondContact N-O 2.88Å
243L86.4Confident62.2Low0 Ų072.4 Ų72.40%037%0.367CS..EExtended strand (participates in β ladder)trans-103119.2169.4173.473.9000108.4I92 F108 M110 A123 V187 M204 L245I92-L243 HydrophobicContact CB-CB 4.15Å; I92-L243 HydrophobicContact CB-CD2 4.49Å; I92-L243 WeakPolarHBondContact CB-O 3.43Å; I92-L243 HydrophobicContact CD1-CD2 4.12Å; I92-L243 PolarHBondContact N-O 3.34Å; I92-L243 PolarHBondContact O-N 3.05Å; F108-L243 HydrophobicContact CB-CD2 4.31Å; F108-L243 HydrophobicContact CD1-CB 3.65Å; F108-L243 HydrophobicContact CD1-CD2 4.12Å; F108-L243 HydrophobicContact CE1-CB 3.53Å; F108-L243 HydrophobicContact CG-CB 4.39Å; F108-L243 HydrophobicContact CG-CD2 4.11Å; F108-L243 HydrophobicContact CZ-CB 4.19Å; M110-L243 HydrophobicContact CE-CD2 4.13Å; M110-L243 HydrophobicContact SD-CD2 3.63Å; A123-L243 HydrophobicContact CB-CD1 4.41Å; V187-L243 HydrophobicContact CG2-CD1 3.45Å; V187-L243 VanDerWaalsContact CG2-CD1 3.45Å; M204-L243 HydrophobicContact CE-CD1 4.07Å; M204-L243 HydrophobicContact CE-CD2 3.24Å; M204-L243 HydrophobicContact CE-CG 4.3Å; L243-L245 HydrophobicContact CD1-CD2 4.36Å; L243-L245 HydrophobicContact CD2-CD2 4.18Å; L243-L245 HydrophobicContact CG-CD2 4.07Å
244I83Confident61.4Low14 Ų1465.1 Ų65.17%0.07234%0.339CS..EExtended strand (participates in β ladder)trans-102.8122.8179.2-60.9-179.7000108.3D91 A123 E124 K126 Y246D91-I244 WeakPolarHBondContact OD1-CG1 3.22Å; A123-I244 CarbonylContact C-O 3.56Å; A123-I244 VanDerWaalsContact CA-O 3.27Å; A123-I244 WeakPolarHBondContact CA-O 3.25Å; E124-I244 PolarHBondContact N-O 3.45Å; E124-I244 PolarHBondContact O-N 3.37Å; K126-I244 HydrophobicContact CD-CD1 3.51Å; K126-I244 HydrophobicContact CG-CD1 4.15Å; I244-Y246 HydrophobicContact CB-CE2 4.46Å; I244-Y246 HydrophobicContact CG2-CD2 4.27Å; I244-Y246 HydrophobicContact CG2-CE1 4.3Å; I244-Y246 HydrophobicContact CG2-CE2 3.65Å
245L77.6Confident61Low3 Ų361.7 Ų61.72%0.01632%0.32CS..EExtended strand (participates in β ladder)trans-103.6129.4173.5-58-174.6000110.1I92 M110 I114 A123 V191 L243 T247I92-L245 HydrophobicContact CD1-CD1 3.43Å; I92-L245 VanDerWaalsContact CD1-CD1 3.43Å; I92-L245 HydrophobicContact CD1-CG 3.7Å; M110-L245 HydrophobicContact CE-CD1 3.89Å; M110-L245 HydrophobicContact CE-CD2 4.49Å; I114-L245 HydrophobicContact CG1-CD1 4.01Å; A123-L245 HydrophobicContact CB-CD2 3.6Å; V191-L245 HydrophobicContact CG1-CD2 4.28Å; V191-L245 HydrophobicContact CG2-CD2 3.96Å; L243-L245 HydrophobicContact CD1-CD2 4.36Å; L243-L245 HydrophobicContact CD2-CD2 4.18Å; L243-L245 HydrophobicContact CG-CD2 4.07Å; L245-T247 HydrophobicContact CB-CG2 4.34Å
246Y71.1Confident60.7Low39 Ų3957.1 Ų57.115%0.15331%0.309CS..EExtended strand (participates in β ladder)trans-100.1103.5166.5-58.9-86.6000107.2L83 T121 M122 E124 I244L83-Y246 VanDerWaalsContact CD2-CB 3.44Å; L83-Y246 HydrophobicContact CD2-CD1 4Å; L83-Y246 HydrophobicContact CD2-CG 3.76Å; T121-Y246 PolarHBondContact N-O 3.23Å; T121-Y246 PolarHBondContact OG1-O 3.46Å; M122-Y246 HydrophobicContact CB-CD2 3.87Å; M122-Y246 HydrophobicContact CB-CG 4.32Å; M122-Y246 HydrophobicContact CG-CD2 4.04Å; M122-Y246 PolarHBondContact N-O 3.04Å; M122-Y246 PolarHBondContact O-N 2.58Å; M122-Y246 HydrophobicContact SD-CD2 4.45Å; E124-Y246 HydrophobicContact CG-CE2 4.16Å; I244-Y246 HydrophobicContact CB-CE2 4.46Å; I244-Y246 HydrophobicContact CG2-CD2 4.27Å; I244-Y246 HydrophobicContact CG2-CE1 4.3Å; I244-Y246 HydrophobicContact CG2-CE2 3.65Å
247T63.8Low60.8Low10 Ų1051 Ų516%0.06129%0.286CS..EExtended strand (participates in β ladder)trans-103.3134.3177.854.90000109.9N89 I114 E119 V120 L245N89-T247 PolarHBondContact ND2-OG1 3.16Å; I114-T247 HydrophobicContact CG2-CG2 4.48Å; E119-T247 CarbonylContact O-C 3.57Å; E119-T247 WeakPolarHBondContact O-CA 3.45Å; V120-T247 HydrophobicContact CG2-CG2 4.23Å; L245-T247 HydrophobicContact CB-CG2 4.34Å
248L55.3Low61.4Low13 Ų1350.8 Ų50.87%0.06828%0.277CS..EExtended strand (participates in β ladder)trans-93.7116.2169.8-167.274.9000108.2I82 S118 E119 T121 L250 Y253I82-L248 HydrophobicContact CG2-CD1 4.11Å; S118-L248 VanDerWaalsContact CA-O 3.28Å; S118-L248 WeakPolarHBondContact CA-O 3.35Å; S118-L248 WeakPolarHBondContact CB-O 3.47Å; E119-L248 PolarHBondContact N-O 3.01Å; E119-L248 PolarHBondContact O-N 3.21Å; T121-L248 HydrophobicContact CG2-CB 3.5Å; T121-L248 VanDerWaalsContact CG2-CB 3.5Å; T121-L248 HydrophobicContact CG2-CD2 4.43Å; T121-L248 HydrophobicContact CG2-CG 4.48Å; L248-L250 PolarHBondContact O-N 3.24Å; L248-Y253 HydrophobicContact CD1-CD2 4.18Å; L248-Y253 HydrophobicContact CD1-CG 3.84Å
249N54.1Low61.9Low54 Ų5448.8 Ų48.829%0.28927%0.27SS..EExtended strand (participates in β ladder)trans-67.5118.1169.3-177.1-15000108.5E251 E252 Y253 G254N249-E251 PolarHBondContact O-N 2.9Å; N249-E251 VanDerWaalsContact OD1-CB 3.31Å; N249-E251 WeakPolarHBondContact OD1-CB 3.41Å; N249-E251 PolarHBondContact OD1-N 3.34Å; N249-E252 HydrophobicContact CB-CB 4.13Å; N249-E252 PolarHBondContact O-N 3.05Å; N249-Y253 PolarHBondContact O-N 3.34Å; N249-G254 PolarHBondContact O-N 3.42Å
250L51.9Low62Low60 Ų6053.6 Ų53.631%0.31429%0.293SS..THydrogen-bonded Turntrans-72-17.4-178.8-58172.8000112.2N117 E119 L248 G254N117-L250 WeakPolarHBondContact O-CB 3.16Å; N117-L250 VanDerWaalsContact O-CG 3.28Å; N117-L250 WeakPolarHBondContact O-CG 3.36Å; N117-L250 PolarHBondContact O-N 2.73Å; E119-L250 HydrophobicContact CB-CD2 4.22Å; L248-L250 PolarHBondContact O-N 3.24Å; L250-G254 WeakPolarHBondContact O-CA 3.44Å; L250-G254 PolarHBondContact O-N 3.11Å
251E49.8Very low61.4Low146 Ų14652.3 Ų52.368%0.68231%0.307SS*.THydrogen-bonded Turntrans-79.8-33.1174.5-56.6-176.3172.500112.9N117 N249N117-E251 HydrophobicContact CB-CG 4.5Å; N117-E251 WeakPolarHBondContact ND2-CG 3.2Å; N117-E251 PolarHBondContact ND2-OE1 3.17Å; N249-E251 PolarHBondContact O-N 2.9Å; N249-E251 VanDerWaalsContact OD1-CB 3.31Å; N249-E251 WeakPolarHBondContact OD1-CB 3.41Å; N249-E251 PolarHBondContact OD1-N 3.34Å
252E43.2Very low60.2Low126 Ų12660 Ų6059%0.58935%0.348SS*.THydrogen-bonded Turntrans-96.5-37.5-175.4-170-177.2163.200112.6N249N249-E252 HydrophobicContact CB-CB 4.13Å; N249-E252 PolarHBondContact O-N 3.05Å
253Y41.4Very low58.9Low115 Ų11563.4 Ų63.445%0.45136%0.364SS..THydrogen-bonded Turntrans-124.4-4.9-175.5-61-82.1000113.9L248 N249L248-Y253 HydrophobicContact CD1-CD2 4.18Å; L248-Y253 HydrophobicContact CD1-CG 3.84Å; N249-Y253 PolarHBondContact O-N 3.34Å
254G39.9Very low57.4Low23 Ų2369.8 Ų69.824%0.23740%0.398CS..SBendtrans-67.1145.6163.500000109.8N249 L250 G256N249-G254 PolarHBondContact O-N 3.42Å; L250-G254 WeakPolarHBondContact O-CA 3.44Å; L250-G254 PolarHBondContact O-N 3.11Å; G254-G256 PolarHBondContact O-N 2.91Å
255S42.3Very low56.3Low41 Ų4176.5 Ų76.529%0.28743%0.427SS..  trans-58.4119.9149.7-179.70000104.2G257S255-G257 PolarHBondContact O-N 2.95Å
256G43.8Very low55.9Low57 Ų5781.8 Ų81.859%0.58846%0.455SS*.  trans-63.555.1-172.200000114.7G254G254-G256 PolarHBondContact O-N 2.91Å
257G55.4Low56.2Low41 Ų4183.7 Ų83.742%0.42347%0.471SS..  trans56-170.5-168.200000113.5S255S255-G257 PolarHBondContact O-N 2.95Å
258D67.5Low57.1Low48 Ų4884.6 Ų84.626%0.25748%0.477SS..BIsolated β-bridgetrans-66.4150.5149.9-67.6-22.3000108.3D260 R270D258-D260 PolarHBondContact O-N 2.82Å; D258-D260 VanDerWaalsContact O-N 3.16Å; D258-R270 CarbonylContact C-O 3.37Å; D258-R270 WeakPolarHBondContact CA-O 3.36Å; D258-R270 WeakPolarHBondContact CB-O 3.26Å; D258-R270 IonicContact OD1-CZ 3.44Å; D258-R270 IonicContact OD1-NE 3.64Å; D258-R270 PolarHBondContact OD1-NE 3.28Å; D258-R270 IonicContact OD1-NH2 3.44Å; D258-R270 PolarHBondContact OD1-NH2 3.29Å; D258-R270 IonicContact OD2-NH2 2.79Å
259C71.9Confident58.3Low37 Ų3784.7 Ų84.725%0.2548%0.479CS..PPolyproline II helixtrans-51122.9179-57.70000111.1A261 C269 R270C259-A261 PolarHBondContact O-N 2.87Å; C259-C269 HydrophobicContact CB-CB 4.03Å; C259-C269 WeakPolarHBondContact CB-SG 3.28Å; C259-C269 VanDerWaalsContact SG-C 3.51Å; C259-C269 WeakPolarHBondContact SG-CB 3.15Å; C259-C269 CovalentContact SG-SG 2.04Å; C259-C269 PolarHBondContact SG-SG 3.22Å; C259-R270 PolarHBondContact N-O 2.96Å
260D65.9Low59.8Low107 Ų10784 Ų8457%0.57247%0.472SS*.PPolyproline II helixtrans-65.6129.2174.7-104.3-20.6000110.3D258 N262 Q263D258-D260 PolarHBondContact O-N 2.82Å; D258-D260 VanDerWaalsContact O-N 3.16Å; D260-N262 PolarHBondContact O-N 3.44Å; D260-Q263 HydrophobicContact CB-CB 4.3Å; D260-Q263 HydrophobicContact CB-CG 4.07Å; D260-Q263 PolarHBondContact O-N 2.97Å; D260-Q263 PolarHBondContact OD2-NE2 2.88Å
261A59.8Low61.3Low103 Ų10384.3 Ų84.385%0.85147%0.472SS*.THydrogen-bonded Turntrans-61.9-17.2-177.900000114C259C259-A261 PolarHBondContact O-N 2.87Å
262N57.1Low62.6Low165 Ų16583.9 Ų83.988%0.88247%0.47SS*.THydrogen-bonded Turntrans-112.42.3-171.8-73.2-15.1000114.8D260D260-N262 PolarHBondContact O-N 3.44Å
263Q56.2Low64.5Low130 Ų13081 Ų8161%0.60746%0.456SS*.SBendtrans-107.4149.4177.7-63.6-1664300111.5D260 K265D260-Q263 HydrophobicContact CB-CB 4.3Å; D260-Q263 HydrophobicContact CB-CG 4.07Å; D260-Q263 PolarHBondContact O-N 2.97Å; D260-Q263 PolarHBondContact OD2-NE2 2.88Å; Q263-K265 PolarHBondContact O-N 2.84Å
264N55Low66.1Low133 Ų13381.1 Ų81.171%0.71146%0.459SS*.  trans-53.4125.1175.9-89.26000110.1D266N264-D266 PolarHBondContact O-N 2.91Å
265K60.1Low67.9Low156 Ų15680.2 Ų80.268%0.67845%0.449SS*.THydrogen-bonded Turntrans-64.519.1-179.1-65.2-175.6174.4-1660114.7Q263 E271 G300Q263-K265 PolarHBondContact O-N 2.84Å; K265-E271 IonicContact NZ-OE1 2.86Å; K265-G300 VanDerWaalsContact O-CA 3.3Å; K265-G300 WeakPolarHBondContact O-CA 3.27Å
266D68.7Low69.3Low114 Ų11481.4 Ų81.461%0.6145%0.452SS*.THydrogen-bonded Turntrans-87-11-169.9-63.1-26.2000112.8N264 G301N264-D266 PolarHBondContact O-N 2.91Å; D266-G301 CarbonylContact O-C 3.49Å; D266-G301 VanDerWaalsContact O-CA 3.29Å; D266-G301 WeakPolarHBondContact O-CA 3.11Å; D266-G301 PolarHBondContact O-N 3.23Å; D266-G301 VanDerWaalsContact O-N 3.11Å
267T78.2Confident70.9Confident79 Ų7978.7 Ų78.749%0.48542%0.424SS..SBendtrans-107.6141.8179.250.10000112C269 G301T267-C269 PolarHBondContact O-N 2.9Å; T267-G301 CarbonylContact C-O 3.57Å; T267-G301 WeakPolarHBondContact CA-O 3.3Å
268C81.1Confident71.9Confident29 Ų2981.1 Ų81.120%0.19642%0.421CS..  trans-59.8117-179.7178.20000111.4T299 G301 C316 C353C268-T299 CarbonylContact C-O 3.6Å; C268-T299 VanDerWaalsContact CA-O 3.32Å; C268-T299 WeakPolarHBondContact CA-O 3.46Å; C268-G301 PolarHBondContact N-O 2.91Å; C268-C316 WeakPolarHBondContact CA-SG 3.32Å; C268-C316 HydrophobicContact CB-CB 3.62Å; C268-C316 WeakPolarHBondContact CB-SG 3.4Å; C268-C316 VanDerWaalsContact SG-CA 3.51Å; C268-C316 WeakPolarHBondContact SG-CB 3.28Å; C268-C316 CovalentContact SG-SG 2.03Å; C268-C316 PolarHBondContact SG-SG 3.19Å; C268-C353 VanDerWaalsContact CB-SG 3.52Å
269C81Confident72.1Confident14 Ų1482.3 Ų82.310%0.09544%0.437CS..EExtended strand (participates in β ladder)trans-145.3167.2-178610000111.4C259 T267 C298 T299C259-C269 HydrophobicContact CB-CB 4.03Å; C259-C269 WeakPolarHBondContact CB-SG 3.28Å; C259-C269 VanDerWaalsContact SG-C 3.51Å; C259-C269 WeakPolarHBondContact SG-CB 3.15Å; C259-C269 CovalentContact SG-SG 2.04Å; C259-C269 PolarHBondContact SG-SG 3.22Å; T267-C269 PolarHBondContact O-N 2.9Å; C269-C298 WeakPolarHBondContact O-CA 3.3Å; C269-T299 PolarHBondContact N-O 2.83Å; C269-T299 PolarHBondContact O-N 2.8Å
270R86.1Confident72.5Confident41 Ų4181.8 Ų81.816%0.15543%0.432CS..EExtended strand (participates in β ladder)trans-93.4112.9177.4-172.4178.670.61747.6109.5D258 C259 F296 R297 V348 E349D258-R270 CarbonylContact C-O 3.37Å; D258-R270 WeakPolarHBondContact CA-O 3.36Å; D258-R270 WeakPolarHBondContact CB-O 3.26Å; D258-R270 IonicContact OD1-CZ 3.44Å; D258-R270 IonicContact OD1-NE 3.64Å; D258-R270 PolarHBondContact OD1-NE 3.28Å; D258-R270 IonicContact OD1-NH2 3.44Å; D258-R270 PolarHBondContact OD1-NH2 3.29Å; D258-R270 IonicContact OD2-NH2 2.79Å; C259-R270 PolarHBondContact N-O 2.96Å; R270-F296 HydrophobicContact CG-CB 3.68Å; R270-F296 HydrophobicContact CG-CD1 4.13Å; R270-F296 HydrophobicContact CG-CG 4.14Å; R270-R297 CarbonylContact C-O 3.57Å; R270-V348 WeakPolarHBondContact CD-O 3.47Å; R270-V348 HydrophobicContact CG-CG1 4.26Å; R270-E349 PolarHBondContact NH1-O 2.82Å; R270-E349 IonicContact NH1-OE2 3.06Å
271E83.8Confident73.4Confident65 Ų6582.2 Ų82.230%0.30444%0.438SS..EExtended strand (participates in β ladder)trans-90.7146.9178-168.5174.9-131.400111.2K265 H273 F296 R297 T299K265-E271 IonicContact NZ-OE1 2.86Å; E271-H273 PolarHBondContact O-N 2.98Å; E271-F296 CarbonylContact O-C 3.54Å; E271-F296 VanDerWaalsContact O-CA 3.22Å; E271-F296 WeakPolarHBondContact O-CA 3.43Å; E271-F296 WeakPolarHBondContact O-CB 3.5Å; E271-R297 PolarHBondContact N-O 3.17Å; E271-R297 PolarHBondContact O-N 2.94Å; E271-T299 HydrophobicContact CB-CG2 4.07Å; E271-T299 WeakPolarHBondContact OE2-CG2 3.31Å
272Q77.4Confident74.6Confident137 Ų13778.9 Ų78.964%0.6440%0.404SS*.  trans-67.5123.3172.4-70-172.6-2.300110.7Q294 F296Q272-Q294 VanDerWaalsContact CB-NE2 3.34Å; Q272-F296 HydrophobicContact CG-CD1 4.32Å; Q272-F296 HydrophobicContact CG-CE1 4.08Å
273H81.8Confident76Confident65 Ų6571 Ų7130%0.30136%0.362SS..  trans-139111.8176.2-173.362.3000109.4E271 A295 F296 R297E271-H273 PolarHBondContact O-N 2.98Å; H273-A295 PolarHBondContact O-N 3.35Å; H273-F296 PolarHBondContact O-N 3.48Å; H273-F296 VanDerWaalsContact O-N 3.1Å; H273-R297 HydrophobicContact CB-CB 4.16Å
274F75.2Confident77Confident118 Ų11867.3 Ų67.352%0.51834%0.344SS..EExtended strand (participates in β ladder)trans-96.9129.8180-174.1-96000110.5N276 Y293F274-N276 HydrophobicContact CD1-CB 4.24Å; F274-N276 HydrophobicContact CE1-CB 3.88Å; F274-Y293 WeakPolarHBondContact CD2-O 3.11Å
275I76.8Confident78.2Confident4 Ų465 Ų652%0.02133%0.326CS..EExtended strand (participates in β ladder)trans-108.9116.8179.7-62.5-177.3000108.1M26 F277 L280 G292 Y293 A295M26-I275 HydrophobicContact CE-CD1 3.15Å; M26-I275 HydrophobicContact CE-CG1 4.21Å; M26-I275 HydrophobicContact CE-CG2 3.77Å; M26-I275 HydrophobicContact SD-CG2 4.27Å; I275-F277 HydrophobicContact CG2-CD1 4.38Å; I275-F277 HydrophobicContact CG2-CE1 4.2Å; I275-L280 HydrophobicContact CG2-CD1 4.15Å; I275-G292 CarbonylContact O-C 3.58Å; I275-G292 WeakPolarHBondContact O-CA 3.35Å; I275-Y293 HydrophobicContact CB-CD1 4.14Å; I275-Y293 HydrophobicContact CB-CE1 3.75Å; I275-Y293 HydrophobicContact CD1-CE1 4.36Å; I275-Y293 HydrophobicContact CG2-CD1 4.43Å; I275-Y293 HydrophobicContact CG2-CE1 3.84Å; I275-Y293 PolarHBondContact N-O 3.3Å; I275-Y293 PolarHBondContact O-N 2.94Å; I275-A295 HydrophobicContact CD1-CB 3.38Å; I275-A295 HydrophobicContact CG1-CB 3.84Å
276N73.8Confident79.5Confident66 Ų6657.8 Ų57.835%0.35330%0.295SS..EExtended strand (participates in β ladder)trans-102104.1179.6-173.3-11000110F274 R278 A279 L280 A291F274-N276 HydrophobicContact CD1-CB 4.24Å; F274-N276 HydrophobicContact CE1-CB 3.88Å; N276-R278 PolarHBondContact O-N 3.2Å; N276-R278 WeakPolarHBondContact OD1-CA 3.49Å; N276-R278 VanDerWaalsContact OD1-CB 3.3Å; N276-R278 WeakPolarHBondContact OD1-CB 3.49Å; N276-R278 PolarHBondContact OD1-N 3.33Å; N276-A279 HydrophobicContact CB-CB 3.92Å; N276-A279 PolarHBondContact O-N 2.83Å; N276-A279 PolarHBondContact OD1-N 3.01Å; N276-L280 PolarHBondContact O-N 3.04Å; N276-A291 PolarHBondContact OD1-O 2.93Å
277F76.1Confident80.2Confident0 Ų052.4 Ų52.40%027%0.266CS..THydrogen-bonded Turntrans-65.1-20177.7-67-53.7000112.8M26 I275 L280 T283 Q284 I287 P290 A291 Y293 L324 I326 M346M26-F277 HydrophobicContact SD-CE1 4.02Å; I275-F277 HydrophobicContact CG2-CD1 4.38Å; I275-F277 HydrophobicContact CG2-CE1 4.2Å; F277-L280 HydrophobicContact CD1-CD1 4.45Å; F277-T283 WeakPolarHBondContact CA-OG1 3.46Å; F277-T283 HydrophobicContact CD1-CG2 3.91Å; F277-T283 HydrophobicContact CE1-CG2 4.43Å; F277-T283 CarbonylContact O-C 3.51Å; F277-T283 PolarHBondContact O-OG1 3.34Å; F277-Q284 VanDerWaalsContact O-CA 3.3Å; F277-Q284 WeakPolarHBondContact O-CA 3.19Å; F277-Q284 PolarHBondContact O-N 2.84Å; F277-I287 HydrophobicContact CB-CB 4.44Å; F277-I287 HydrophobicContact CB-CD1 4.43Å; F277-I287 HydrophobicContact CB-CG2 4.26Å; F277-I287 HydrophobicContact CD1-CD1 3.65Å; F277-I287 HydrophobicContact CD2-CD1 4.26Å; F277-I287 HydrophobicContact CD2-CG2 3.97Å; F277-I287 HydrophobicContact CE1-CD1 3.8Å; F277-I287 HydrophobicContact CE2-CD1 4.37Å; F277-I287 HydrophobicContact CG-CD1 3.88Å; F277-I287 HydrophobicContact CG-CG2 4.19Å; F277-I287 HydrophobicContact CZ-CD1 4.15Å; F277-P290 HydrophobicContact CD2-CG 4.45Å; F277-P290 WeakPolarHBondContact CD2-O 3.48Å; F277-P290 HydrophobicContact CE2-CG 4.19Å; F277-A291 PolarHBondContact N-O 3.38Å; F277-Y293 HydrophobicContact CD2-CD1 4.38Å; F277-Y293 HydrophobicContact CE1-CE1 4.16Å; F277-Y293 AromaticContact CE2-CD1 3.56Å; F277-Y293 HydrophobicContact CE2-CD1 3.56Å; F277-Y293 AromaticContact CE2-CE1 3.76Å; F277-Y293 HydrophobicContact CE2-CE1 3.76Å; F277-Y293 AromaticContact CZ-CD1 3.75Å; F277-Y293 HydrophobicContact CZ-CD1 3.75Å; F277-Y293 AromaticContact CZ-CE1 3.4Å; F277-Y293 HydrophobicContact CZ-CE1 3.4Å; F277-Y293 VanDerWaalsContact CZ-CE1 3.4Å; F277-L324 HydrophobicContact CE2-CD2 4.16Å; F277-L324 HydrophobicContact CZ-CD2 4.33Å; F277-I326 HydrophobicContact CE2-CD1 4.39Å; F277-I326 HydrophobicContact CZ-CD1 4.15Å; F277-M346 HydrophobicContact CZ-CE 4.3Å
278R75.8Confident80.5Confident93 Ų9349.6 Ų49.635%0.35125%0.248SC..THydrogen-bonded Turntrans-77.6-23173.4-56-58.3-175.3-162.5-7.6113.4N276 Q284 I287 I288 A291N276-R278 PolarHBondContact O-N 3.2Å; N276-R278 WeakPolarHBondContact OD1-CA 3.49Å; N276-R278 VanDerWaalsContact OD1-CB 3.3Å; N276-R278 WeakPolarHBondContact OD1-CB 3.49Å; N276-R278 PolarHBondContact OD1-N 3.33Å; R278-Q284 PolarHBondContact NH1-O 3.47Å; R278-Q284 VanDerWaalsContact NH1-O 3.08Å; R278-I287 PolarHBondContact NH1-O 2.85Å; R278-I287 PolarHBondContact NH2-O 3.38Å; R278-I288 PolarHBondContact NH2-O 2.78Å; R278-A291 HydrophobicContact CG-CB 4.13Å; R278-A291 PolarHBondContact N-O 3.45Å
279A72.8Confident80.4Confident73 Ų7352.1 Ų52.160%0.60326%0.257SS*.THydrogen-bonded Turntrans-88.1-18179.400000112.9N276N276-A279 HydrophobicContact CB-CB 3.92Å; N276-A279 PolarHBondContact O-N 2.83Å; N276-A279 PolarHBondContact OD1-N 3.01Å
280L79.8Confident80.5Confident25 Ų2552.3 Ų52.313%0.13126%0.258CS..SBendtrans-88.3122.1-178.8-65.5174.8000110.6I275 N276 F277 W282 T283 Q284I275-L280 HydrophobicContact CG2-CD1 4.15Å; N276-L280 PolarHBondContact O-N 3.04Å; F277-L280 HydrophobicContact CD1-CD1 4.45Å; L280-W282 HydrophobicContact CD1-CZ2 4.19Å; L280-W282 PolarHBondContact O-N 2.89Å; L280-W282 VanDerWaalsContact O-N 3.12Å; L280-T283 VanDerWaalsContact CB-OG1 3.29Å; L280-T283 WeakPolarHBondContact CB-OG1 3.38Å; L280-T283 PolarHBondContact O-N 3.24Å; L280-Q284 WeakPolarHBondContact O-CB 3.37Å; L280-Q284 PolarHBondContact O-N 2.81Å
281T84.4Confident79.8Confident116 Ų11652.5 Ų52.571%0.71227%0.268SS*.THydrogen-bonded Turntrans-57.3-31.4-17652.20000113.4Q284T281-Q284 PolarHBondContact O-NE2 3.39Å
282W86.8Confident79.3Confident34 Ų3450.3 Ų50.313%0.12926%0.263CS..THydrogen-bonded Turntrans-88.9-8.8-178.968.9-89.7000114.3M26 K27 L30 V39 L280 W286M26-W282 HydrophobicContact CG-CH2 4.46Å; M26-W282 HydrophobicContact SD-CH2 4.18Å; M26-W282 HydrophobicContact SD-CZ2 4.02Å; K27-W282 HydrophobicContact CB-CD2 4.06Å; K27-W282 HydrophobicContact CB-CE3 4.04Å; K27-W282 HydrophobicContact CB-CH2 3.99Å; K27-W282 HydrophobicContact CB-CZ2 3.93Å; K27-W282 HydrophobicContact CB-CZ3 3.99Å; K27-W282 HydrophobicContact CD-CD2 4.22Å; K27-W282 HydrophobicContact CD-CE3 4.42Å; K27-W282 HydrophobicContact CD-CG 4.33Å; K27-W282 HydrophobicContact CG-CD2 4.05Å; K27-W282 HydrophobicContact CG-CE3 3.84Å; K27-W282 HydrophobicContact CG-CZ3 4.13Å; L30-W282 HydrophobicContact CD1-CH2 3.38Å; L30-W282 HydrophobicContact CD1-CZ3 3.83Å; V39-W282 VanDerWaalsContact CG1-O 3.29Å; V39-W282 WeakPolarHBondContact CG1-O 3.34Å; V39-W282 HydrophobicContact CG2-CB 4.41Å; V39-W282 HydrophobicContact CG2-CE3 4.39Å; L280-W282 HydrophobicContact CD1-CZ2 4.19Å; L280-W282 PolarHBondContact O-N 2.89Å; L280-W282 VanDerWaalsContact O-N 3.12Å; W282-W286 HydrophobicContact CE3-CZ2 4.3Å; W282-W286 AromaticContact CZ3-CZ2 3.94Å; W282-W286 HydrophobicContact CZ3-CZ2 3.94Å; W282-W286 VanDerWaalsContact O-CD1 3.25Å; W282-W286 PolarHBondContact O-NE1 3.26Å
283T85.1Confident79.2Confident0 Ų044.4 Ų44.40%024%0.235CC..THydrogen-bonded Turntrans-116-22.4177.849.40000115.3F277 L280 Y285 W286 I287F277-T283 WeakPolarHBondContact CA-OG1 3.46Å; F277-T283 HydrophobicContact CD1-CG2 3.91Å; F277-T283 HydrophobicContact CE1-CG2 4.43Å; F277-T283 CarbonylContact O-C 3.51Å; F277-T283 PolarHBondContact O-OG1 3.34Å; L280-T283 VanDerWaalsContact CB-OG1 3.29Å; L280-T283 WeakPolarHBondContact CB-OG1 3.38Å; L280-T283 PolarHBondContact O-N 3.24Å; T283-Y285 PolarHBondContact O-N 2.88Å; T283-W286 HydrophobicContact CG2-CZ2 4.33Å; T283-W286 PolarHBondContact O-N 3.06Å; T283-I287 HydrophobicContact CG2-CD1 3.45Å; T283-I287 VanDerWaalsContact CG2-CD1 3.45Å; T283-I287 HydrophobicContact CG2-CG1 4.17Å; T283-I287 PolarHBondContact O-N 2.98Å; T283-I287 VanDerWaalsContact O-N 3.12Å
284Q76.9Confident78.9Confident51 Ų5143.8 Ų43.824%0.23823%0.232CC..THydrogen-bonded Turntrans-50-30-170.357.9178.7-700115.9F277 R278 L280 T281F277-Q284 VanDerWaalsContact O-CA 3.3Å; F277-Q284 WeakPolarHBondContact O-CA 3.19Å; F277-Q284 PolarHBondContact O-N 2.84Å; R278-Q284 PolarHBondContact NH1-O 3.47Å; R278-Q284 VanDerWaalsContact NH1-O 3.08Å; L280-Q284 WeakPolarHBondContact O-CB 3.37Å; L280-Q284 PolarHBondContact O-N 2.81Å; T281-Q284 PolarHBondContact O-NE2 3.39Å
285Y81.7Confident79.3Confident86 Ų8638.4 Ų38.434%0.33721%0.209SC..THydrogen-bonded Turntrans-108-9.4-173.8-56-44.4000115.4I42 K44 L47 T283I42-Y285 WeakPolarHBondContact CG2-O 3.27Å; I42-Y285 WeakPolarHBondContact O-CB 3.34Å; K44-Y285 HydrophobicContact CB-CD1 4.41Å; K44-Y285 HydrophobicContact CB-CE1 4.12Å; L47-Y285 WeakPolarHBondContact CD1-O 3.29Å; T283-Y285 PolarHBondContact O-N 2.88Å
286W86.4Confident79.8Confident4 Ų439.5 Ų39.52%0.01521%0.214CC..THydrogen-bonded Turntrans-123.1-16.9-178.271.9-84.6000113.5L34 P40 I42 W282 T283 Y328 L329L34-W286 HydrophobicContact CD1-CH2 3.73Å; L34-W286 HydrophobicContact CD1-CZ3 3.59Å; P40-W286 HydrophobicContact CB-CB 4.31Å; P40-W286 HydrophobicContact CB-CG 4.42Å; P40-W286 HydrophobicContact CG-CD2 4.18Å; P40-W286 HydrophobicContact CG-CE3 4.14Å; P40-W286 HydrophobicContact CG-CG 4.39Å; I42-W286 HydrophobicContact CB-CB 4.21Å; I42-W286 HydrophobicContact CG1-CB 3.77Å; W282-W286 HydrophobicContact CE3-CZ2 4.3Å; W282-W286 AromaticContact CZ3-CZ2 3.94Å; W282-W286 HydrophobicContact CZ3-CZ2 3.94Å; W282-W286 VanDerWaalsContact O-CD1 3.25Å; W282-W286 PolarHBondContact O-NE1 3.26Å; T283-W286 HydrophobicContact CG2-CZ2 4.33Å; T283-W286 PolarHBondContact O-N 3.06Å; W286-Y328 HydrophobicContact CE3-CD2 4.1Å; W286-Y328 HydrophobicContact CE3-CG 4.31Å; W286-Y328 AromaticContact CZ3-CD2 3.83Å; W286-Y328 HydrophobicContact CZ3-CD2 3.83Å; W286-Y328 HydrophobicContact CZ3-CG 4Å; W286-Y328 CarbonylContact O-C 3.54Å; W286-Y328 WeakPolarHBondContact O-CA 3.43Å; W286-Y328 WeakPolarHBondContact O-CB 3.43Å; W286-L329 HydrophobicContact CB-CB 4.32Å; W286-L329 PolarHBondContact O-N 3.01Å
287I84.3Confident80.4Confident1 Ų141.4 Ų41.41%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-86.5123.1167.2-61.1-172.4000109.2F277 R278 T283 I326F277-I287 HydrophobicContact CB-CB 4.44Å; F277-I287 HydrophobicContact CB-CD1 4.43Å; F277-I287 HydrophobicContact CB-CG2 4.26Å; F277-I287 HydrophobicContact CD1-CD1 3.65Å; F277-I287 HydrophobicContact CD2-CD1 4.26Å; F277-I287 HydrophobicContact CD2-CG2 3.97Å; F277-I287 HydrophobicContact CE1-CD1 3.8Å; F277-I287 HydrophobicContact CE2-CD1 4.37Å; F277-I287 HydrophobicContact CG-CD1 3.88Å; F277-I287 HydrophobicContact CG-CG2 4.19Å; F277-I287 HydrophobicContact CZ-CD1 4.15Å; R278-I287 PolarHBondContact NH1-O 2.85Å; R278-I287 PolarHBondContact NH2-O 3.38Å; T283-I287 HydrophobicContact CG2-CD1 3.45Å; T283-I287 VanDerWaalsContact CG2-CD1 3.45Å; T283-I287 HydrophobicContact CG2-CG1 4.17Å; T283-I287 PolarHBondContact O-N 2.98Å; T283-I287 VanDerWaalsContact O-N 3.12Å; I287-I326 HydrophobicContact CD1-CG2 4.47Å; I287-I326 HydrophobicContact CG1-CG2 4.48Å; I287-I326 HydrophobicContact CG2-CG2 3.83Å
288I82.9Confident80.9Confident20 Ų2042.4 Ų42.410%0.10322%0.223CC..EExtended strand (participates in β ladder)trans-93.8-51.2179.7-53.3165.5000109.9L50 R278 M327 L329 I338L50-I288 HydrophobicContact CD2-CD1 3.74Å; L50-I288 HydrophobicContact CD2-CG1 4.11Å; R278-I288 PolarHBondContact NH2-O 2.78Å; I288-M327 WeakPolarHBondContact CA-O 3.37Å; I288-M327 HydrophobicContact CB-CE 4.05Å; I288-M327 HydrophobicContact CB-CG 4.32Å; I288-M327 HydrophobicContact CD1-CG 4.22Å; I288-M327 HydrophobicContact CG2-CE 3.66Å; I288-M327 PolarHBondContact N-O 2.8Å; I288-L329 HydrophobicContact CD1-CD2 3.97Å; I288-L329 HydrophobicContact CD1-CG 3.92Å; I288-L329 HydrophobicContact CG1-CG 4.13Å; I288-I338 HydrophobicContact CD1-CB 4.37Å; I288-I338 HydrophobicContact CD1-CD1 4.15Å; I288-I338 HydrophobicContact CD1-CG1 3.96Å; I288-I338 HydrophobicContact CD1-CG2 3.57Å
289E79Confident81.3Confident81 Ų8139.3 Ų39.338%0.37921%0.214SC..EExtended strand (participates in β ladder)trans-140.1145.8177.2-68.8-67.3169.400111Y60 I326 M327Y60-E289 HydrophobicContact CE1-CB 3.75Å; Y60-E289 HydrophobicContact CE1-CG 4.17Å; Y60-E289 HydrophobicContact CE2-CB 4.34Å; Y60-E289 WeakPolarHBondContact OH-CB 3.5Å; E289-I326 CarbonylContact O-C 3.57Å; E289-I326 WeakPolarHBondContact O-CA 3.4Å; E289-I326 WeakPolarHBondContact O-CG2 3.47Å; E289-M327 HydrophobicContact CB-CB 4.11Å; E289-M327 HydrophobicContact CB-CE 3.83Å; E289-M327 HydrophobicContact CG-CE 3.43Å; E289-M327 VanDerWaalsContact CG-CE 3.43Å; E289-M327 PolarHBondContact N-O 2.78Å; E289-M327 VanDerWaalsContact N-O 3.1Å; E289-M327 PolarHBondContact O-N 2.96Å
290P83.1Confident81.8Confident19 Ų1937.5 Ų37.512%0.12320%0.203CC..  cis-72.4161.9-8.232.9-36.1000111.7F277 G292 L324F277-P290 HydrophobicContact CD2-CG 4.45Å; F277-P290 WeakPolarHBondContact CD2-O 3.48Å; F277-P290 HydrophobicContact CE2-CG 4.19Å; P290-G292 PolarHBondContact O-N 2.82Å; P290-L324 HydrophobicContact CG-CD1 4.39Å; P290-L324 HydrophobicContact CG-CD2 4.3Å
291A72.1Confident81.8Confident45 Ų4537.9 Ų37.937%0.37221%0.213SC..SBendtrans-67.6-26.5171.300000112.9N276 F277 R278N276-A291 PolarHBondContact OD1-O 2.93Å; F277-A291 PolarHBondContact N-O 3.38Å; R278-A291 HydrophobicContact CG-CB 4.13Å; R278-A291 PolarHBondContact N-O 3.45Å
292G73.2Confident81.4Confident18 Ų1833.2 Ų33.219%0.18619%0.185CC..EExtended strand (participates in β ladder)trans-173.4165.4175.100000110.1I275 P290I275-G292 CarbonylContact O-C 3.58Å; I275-G292 WeakPolarHBondContact O-CA 3.35Å; P290-G292 PolarHBondContact O-N 2.82Å
293Y74.5Confident80.8Confident13 Ų1340.2 Ų40.25%0.05122%0.216CC..EExtended strand (participates in β ladder)trans-151.2157.9-176.877.1-77.2000111.7F274 I275 F277 A295 L324 M346 I347F274-Y293 WeakPolarHBondContact CD2-O 3.11Å; I275-Y293 HydrophobicContact CB-CD1 4.14Å; I275-Y293 HydrophobicContact CB-CE1 3.75Å; I275-Y293 HydrophobicContact CD1-CE1 4.36Å; I275-Y293 HydrophobicContact CG2-CD1 4.43Å; I275-Y293 HydrophobicContact CG2-CE1 3.84Å; I275-Y293 PolarHBondContact N-O 3.3Å; I275-Y293 PolarHBondContact O-N 2.94Å; F277-Y293 HydrophobicContact CD2-CD1 4.38Å; F277-Y293 HydrophobicContact CE1-CE1 4.16Å; F277-Y293 AromaticContact CE2-CD1 3.56Å; F277-Y293 HydrophobicContact CE2-CD1 3.56Å; F277-Y293 AromaticContact CE2-CE1 3.76Å; F277-Y293 HydrophobicContact CE2-CE1 3.76Å; F277-Y293 AromaticContact CZ-CD1 3.75Å; F277-Y293 HydrophobicContact CZ-CD1 3.75Å; F277-Y293 AromaticContact CZ-CE1 3.4Å; F277-Y293 HydrophobicContact CZ-CE1 3.4Å; F277-Y293 VanDerWaalsContact CZ-CE1 3.4Å; Y293-A295 HydrophobicContact CD2-CB 4.2Å; Y293-A295 HydrophobicContact CE2-CB 3.45Å; Y293-A295 VanDerWaalsContact CE2-CB 3.45Å; Y293-A295 PolarHBondContact O-N 2.93Å; Y293-L324 HydrophobicContact CD1-CD2 3.49Å; Y293-L324 VanDerWaalsContact CD1-CD2 3.49Å; Y293-L324 HydrophobicContact CD2-CD1 4.32Å; Y293-L324 HydrophobicContact CD2-CD2 3.79Å; Y293-L324 HydrophobicContact CE1-CD2 3.69Å; Y293-L324 HydrophobicContact CE2-CD2 3.95Å; Y293-L324 HydrophobicContact CG-CD1 4.28Å; Y293-L324 HydrophobicContact CG-CD2 3.54Å; Y293-M346 HydrophobicContact CE1-CE 4.19Å; Y293-M346 HydrophobicContact CE2-CB 4.41Å; Y293-M346 VanDerWaalsContact CE2-O 3.23Å; Y293-M346 WeakPolarHBondContact CE2-O 3.4Å; Y293-M346 VanDerWaalsContact OH-CE 3.29Å; Y293-M346 WeakPolarHBondContact OH-CE 3.41Å; Y293-M346 PolarHBondContact OH-O 3.32Å; Y293-M346 VanDerWaalsContact OH-O 3.12Å; Y293-I347 HydrophobicContact CD2-CD1 4.47Å; Y293-I347 HydrophobicContact CD2-CG1 3.93Å; Y293-I347 HydrophobicContact CE2-CG1 3.89Å
294Q76.8Confident80.2Confident52 Ų5244.1 Ų44.124%0.24324%0.235CC..EExtended strand (participates in β ladder)trans-84.1105175.2-173.2661500109.2Q272 F296 I347Q272-Q294 VanDerWaalsContact CB-NE2 3.34Å; Q294-F296 HydrophobicContact CB-CE2 4.11Å; Q294-F296 HydrophobicContact CB-CZ 4.39Å; Q294-F296 HydrophobicContact CG-CD1 4.09Å; Q294-F296 HydrophobicContact CG-CD2 3.71Å; Q294-F296 HydrophobicContact CG-CE1 3.69Å; Q294-F296 HydrophobicContact CG-CE2 3.27Å; Q294-F296 HydrophobicContact CG-CG 4.09Å; Q294-F296 HydrophobicContact CG-CZ 3.26Å; Q294-I347 WeakPolarHBondContact O-CG2 3.28Å
295A83.4Confident79.4Confident5 Ų545.2 Ų45.24%0.04125%0.246CC..  trans-87.6-32.8-178.400000112.5H273 I275 Y293 V348H273-A295 PolarHBondContact O-N 3.35Å; I275-A295 HydrophobicContact CD1-CB 3.38Å; I275-A295 HydrophobicContact CG1-CB 3.84Å; Y293-A295 HydrophobicContact CD2-CB 4.2Å; Y293-A295 HydrophobicContact CE2-CB 3.45Å; Y293-A295 VanDerWaalsContact CE2-CB 3.45Å; Y293-A295 PolarHBondContact O-N 2.93Å; A295-V348 PolarHBondContact O-N 3.2Å
296F86.3Confident78.2Confident28 Ų2851.5 Ų51.512%0.12328%0.275CS..  trans59.2164.7-169.3-53.6-89.7000113.3R270 E271 Q272 H273 Q294 I347 V348R270-F296 HydrophobicContact CG-CB 3.68Å; R270-F296 HydrophobicContact CG-CD1 4.13Å; R270-F296 HydrophobicContact CG-CG 4.14Å; E271-F296 CarbonylContact O-C 3.54Å; E271-F296 VanDerWaalsContact O-CA 3.22Å; E271-F296 WeakPolarHBondContact O-CA 3.43Å; E271-F296 WeakPolarHBondContact O-CB 3.5Å; Q272-F296 HydrophobicContact CG-CD1 4.32Å; Q272-F296 HydrophobicContact CG-CE1 4.08Å; H273-F296 PolarHBondContact O-N 3.48Å; H273-F296 VanDerWaalsContact O-N 3.1Å; Q294-F296 HydrophobicContact CB-CE2 4.11Å; Q294-F296 HydrophobicContact CB-CZ 4.39Å; Q294-F296 HydrophobicContact CG-CD1 4.09Å; Q294-F296 HydrophobicContact CG-CD2 3.71Å; Q294-F296 HydrophobicContact CG-CE1 3.69Å; Q294-F296 HydrophobicContact CG-CE2 3.27Å; Q294-F296 HydrophobicContact CG-CG 4.09Å; Q294-F296 HydrophobicContact CG-CZ 3.26Å; F296-I347 HydrophobicContact CD2-CG2 3.91Å; F296-I347 HydrophobicContact CE2-CG2 4.32Å; F296-V348 HydrophobicContact CB-CB 4.11Å
297R86.9Confident76.7Confident106 Ų10659.8 Ų59.840%0.431%0.306SS..EExtended strand (participates in β ladder)trans-148141.3178.7178.6174.1167.4-171.6-10.2110.8A20 R270 E271 H273 T299A20-R297 VanDerWaalsContact CB-NH1 3.32Å; R270-R297 CarbonylContact C-O 3.57Å; E271-R297 PolarHBondContact N-O 3.17Å; E271-R297 PolarHBondContact O-N 2.94Å; H273-R297 HydrophobicContact CB-CB 4.16Å; R297-T299 HydrophobicContact CG-CG2 4.09Å
298C86.3Confident74.9Confident20 Ų2067.6 Ų67.614%0.13535%0.348CS..EExtended strand (participates in β ladder)trans-78.2126.8170.8-58.10000110.5C269 C351C269-C298 WeakPolarHBondContact O-CA 3.3Å; C298-C351 WeakPolarHBondContact CA-SG 3.41Å; C298-C351 HydrophobicContact CB-CB 3.74Å; C298-C351 WeakPolarHBondContact CB-SG 3.27Å; C298-C351 WeakPolarHBondContact SG-CA 3.5Å; C298-C351 WeakPolarHBondContact SG-CB 3.31Å; C298-C351 CovalentContact SG-SG 2.03Å; C298-C351 PolarHBondContact SG-SG 2.56Å
299T85.4Confident73.3Confident28 Ų2873.6 Ų73.617%0.17237%0.371CS..EExtended strand (participates in β ladder)trans-136.7170.4178.263.60000110.5C268 C269 E271 R297 C316C268-T299 CarbonylContact C-O 3.6Å; C268-T299 VanDerWaalsContact CA-O 3.32Å; C268-T299 WeakPolarHBondContact CA-O 3.46Å; C269-T299 PolarHBondContact N-O 2.83Å; C269-T299 PolarHBondContact O-N 2.8Å; E271-T299 HydrophobicContact CB-CG2 4.07Å; E271-T299 WeakPolarHBondContact OE2-CG2 3.31Å; R297-T299 HydrophobicContact CG-CG2 4.09Å; T299-C316 PolarHBondContact O-SG 2.95Å
300G83.1Confident72.1Confident35 Ų3575.8 Ų75.836%0.36139%0.394SS..SBendtrans90.9175.9-178.800000114.3K265K265-G300 VanDerWaalsContact O-CA 3.3Å; K265-G300 WeakPolarHBondContact O-CA 3.27Å
301G78.3Confident70.6Confident34 Ų3483.3 Ų83.335%0.35142%0.422SS..  trans-100160.5-17500000113.5D266 T267 C268D266-G301 CarbonylContact O-C 3.49Å; D266-G301 VanDerWaalsContact O-CA 3.29Å; D266-G301 WeakPolarHBondContact O-CA 3.11Å; D266-G301 PolarHBondContact O-N 3.23Å; D266-G301 VanDerWaalsContact O-N 3.11Å; T267-G301 CarbonylContact C-O 3.57Å; T267-G301 WeakPolarHBondContact CA-O 3.3Å; C268-G301 PolarHBondContact N-O 2.91Å
302C76.4Confident70.2Confident18 Ų1883.7 Ų83.712%0.12243%0.43CS..  trans-111.2130.8171.6-68.90000109.7Q304 R314 C316 C353C302-Q304 PolarHBondContact O-N 2.93Å; C302-Q304 PolarHBondContact O-NE2 3.45Å; C302-Q304 VanDerWaalsContact O-NE2 3.11Å; C302-R314 HydrophobicContact CB-CB 3.92Å; C302-R314 WeakPolarHBondContact CB-O 3.47Å; C302-C316 PolarHBondContact SG-N 3.29Å; C302-C316 VanDerWaalsContact SG-N 3.36Å; C302-C353 VanDerWaalsContact CA-SG 3.58Å; C302-C353 HydrophobicContact CB-CB 3.78Å; C302-C353 WeakPolarHBondContact CB-SG 3.16Å; C302-C353 WeakPolarHBondContact SG-CA 3.47Å; C302-C353 WeakPolarHBondContact SG-CB 3.06Å; C302-C353 CovalentContact SG-SG 2.03Å; C302-C353 PolarHBondContact SG-SG 2.85Å
303K75.4Confident70.1Confident181 Ų18188.6 Ų88.679%0.78745%0.448SS*.PPolyproline II helixtrans-64124.5172.9-71.1-176.2180174.10109.3
304Q71Confident70Confident82 Ų8293 Ų9338%0.38347%0.465SS..PPolyproline II helixtrans-80.8144.3178.1-57.3-54.7-33.800110.6C302 R314C302-Q304 PolarHBondContact O-N 2.93Å; C302-Q304 PolarHBondContact O-NE2 3.45Å; C302-Q304 VanDerWaalsContact O-NE2 3.11Å; Q304-R314 PolarHBondContact NE2-O 3.22Å
305P61.7Low70.2Confident74 Ų7494.7 Ų94.748%0.48147%0.469SS..PPolyproline II helixtrans-62.7138.7174.625.4-32000110.7R307P305-R307 PolarHBondContact O-N 3.28Å; P305-R307 VanDerWaalsContact O-N 3.08Å
306K56.3Low70.1Confident218 Ų21895.7 Ų95.795%0.94848%0.475SS*.SBendtrans-65.4-12-176.7-67.2-175.3177.8-178.80114.7
307R53.7Low70Confident178 Ų17896.7 Ų96.767%0.67248%0.483SS*.SBendtrans-117.9116.5177.6-71.4-175177.6-178-0.6108.6P305 Y309P305-R307 PolarHBondContact O-N 3.28Å; P305-R307 VanDerWaalsContact O-N 3.08Å; R307-Y309 HydrophobicContact CB-CD2 3.98Å; R307-Y309 HydrophobicContact CB-CE2 3.52Å; R307-Y309 HydrophobicContact CG-CE2 4.45Å; R307-Y309 WeakPolarHBondContact O-CD2 3.45Å; R307-Y309 PolarHBondContact O-N 2.9Å
308N47.6Very low70Confident164 Ų16494.6 Ų94.688%0.87748%0.482SS*.  trans-70.980174.3-77.9-2.8000109.8
309Y48.7Very low69.9Low147 Ų14796 Ų9658%0.57649%0.492SS*.  trans-73.1137.5153.8-58.8-80.6000106.2R307 Y311R307-Y309 HydrophobicContact CB-CD2 3.98Å; R307-Y309 HydrophobicContact CB-CE2 3.52Å; R307-Y309 HydrophobicContact CG-CE2 4.45Å; R307-Y309 WeakPolarHBondContact O-CD2 3.45Å; R307-Y309 PolarHBondContact O-N 2.9Å; Y309-Y311 PolarHBondContact O-N 3.2Å
310S53.7Low69.9Low126 Ų12697.1 Ų97.188%0.88150%0.496SS*.SBendtrans-62.828.2-169.737.70000116.5
311Y52.3Low70Confident177 Ų17796.8 Ų96.869%0.69449%0.488SS*.SBendtrans-97.67.7-172-66.4-75.9000115Y309Y309-Y311 PolarHBondContact O-N 3.2Å
312G64.1Low70.4Confident53 Ų5395.2 Ų95.255%0.54647%0.472SS..  trans85.6174.9174.600000115.1
313E69.5Low71.1Confident122 Ų12295.3 Ų95.357%0.5747%0.472SS*.  trans-85.4143.7-178.5-66.8-176.9166.900111.7
314R73.5Confident71.7Confident105 Ų10587.3 Ų87.340%0.39644%0.438SS..EExtended strand (participates in β ladder)trans-79.1135.2172-65.1179.274-176.35.4110.1C302 Q304 C353 M354 L355C302-R314 HydrophobicContact CB-CB 3.92Å; C302-R314 WeakPolarHBondContact CB-O 3.47Å; Q304-R314 PolarHBondContact NE2-O 3.22Å; R314-C353 PolarHBondContact NE-O 2.82Å; R314-C353 PolarHBondContact NH2-O 2.96Å; R314-M354 CarbonylContact C-O 3.58Å; R314-M354 VanDerWaalsContact CA-O 3.31Å; R314-M354 WeakPolarHBondContact CA-O 3.46Å; R314-L355 HydrophobicContact CG-CD2 3.64Å; R314-L355 HydrophobicContact CG-CG 4.23Å
315R80Confident72.6Confident88 Ų8883.4 Ų83.433%0.33242%0.419SS..EExtended strand (participates in β ladder)trans-122.4152.2175.2-62.3-164.6-177.3128.11.6112V317 C353 M354 D356R315-V317 HydrophobicContact CB-CG1 4.32Å; R315-V317 PolarHBondContact O-N 2.94Å; R315-C353 WeakPolarHBondContact O-CA 3.47Å; R315-M354 PolarHBondContact N-O 2.87Å; R315-M354 PolarHBondContact O-N 2.91Å; R315-D356 VanDerWaalsContact CD-OD1 3.3Å; R315-D356 WeakPolarHBondContact CD-OD1 3.4Å; R315-D356 IonicContact CZ-OD1 3.96Å; R315-D356 IonicContact CZ-OD2 3.16Å; R315-D356 IonicContact NE-OD1 3.74Å; R315-D356 IonicContact NE-OD2 2.74Å; R315-D356 PolarHBondContact NE-OD2 3.46Å; R315-D356 IonicContact NH1-OD1 3.85Å; R315-D356 PolarHBondContact NH1-OD1 2.92Å; R315-D356 IonicContact NH1-OD2 3.86Å; R315-D356 PolarHBondContact NH1-OD2 2.74Å; R315-D356 IonicContact NH2-OD2 2.73Å; R315-D356 PolarHBondContact NH2-OD2 3.03Å
316C81.6Confident73.9Confident26 Ų2680 Ų8018%0.17640%0.397CS..EExtended strand (participates in β ladder)trans-78.6111.5175.8-172.20000108.8C268 T299 C302C268-C316 WeakPolarHBondContact CA-SG 3.32Å; C268-C316 HydrophobicContact CB-CB 3.62Å; C268-C316 WeakPolarHBondContact CB-SG 3.4Å; C268-C316 VanDerWaalsContact SG-CA 3.51Å; C268-C316 WeakPolarHBondContact SG-CB 3.28Å; C268-C316 CovalentContact SG-SG 2.03Å; C268-C316 PolarHBondContact SG-SG 3.19Å; T299-C316 PolarHBondContact O-SG 2.95Å; C302-C316 PolarHBondContact SG-N 3.29Å; C302-C316 VanDerWaalsContact SG-N 3.36Å
317V84.9Confident75.2Confident48 Ų4870 Ų7029%0.29135%0.354SS..EExtended strand (participates in β ladder)trans-132162.6-173.8-66.20000110.9R315 S319 C351 A352 M354R315-V317 HydrophobicContact CB-CG1 4.32Å; R315-V317 PolarHBondContact O-N 2.94Å; V317-S319 PolarHBondContact O-N 2.92Å; V317-C351 WeakPolarHBondContact O-CA 3.28Å; V317-A352 WeakPolarHBondContact CG2-O 3.17Å; V317-A352 PolarHBondContact N-O 2.87Å; V317-A352 PolarHBondContact O-N 3.01Å; V317-M354 HydrophobicContact CB-CE 4.47Å; V317-M354 HydrophobicContact CG2-CB 3.65Å; V317-M354 HydrophobicContact CG2-CE 3.34Å; V317-M354 HydrophobicContact CG2-CG 3.74Å; V317-M354 HydrophobicContact CG2-SD 4.38Å
318V86.6Confident76.9Confident63 Ų6362 Ų6238%0.38232%0.324SS..EExtended strand (participates in β ladder)trans-68.9119.5174.7-179.90000108.6E320 V348V318-E320 WeakPolarHBondContact CG1-O 3.31Å; V318-V348 HydrophobicContact CG1-CG1 4.19Å; V318-V348 HydrophobicContact CG1-CG2 4.28Å; V318-V348 HydrophobicContact CG2-CG1 4.16Å; V318-V348 HydrophobicContact CG2-CG2 3.72Å
319S84.3Confident78.8Confident49 Ų4954.3 Ų54.334%0.34328%0.282SS..EExtended strand (participates in β ladder)trans-96.1-29.3175.856.50000112.4V317 R350V317-S319 PolarHBondContact O-N 2.92Å; S319-R350 PolarHBondContact N-O 2.86Å; S319-R350 VanDerWaalsContact OG-C 3.29Å; S319-R350 WeakPolarHBondContact OG-CB 3.5Å; S319-R350 PolarHBondContact OG-O 2.91Å
320E84.4Confident80.6Confident51 Ų5148 Ų4824%0.23826%0.259CS..EExtended strand (participates in β ladder)trans-143.9139.2178.7-168.2176.8174.800110.2V318 E349 R350V318-E320 WeakPolarHBondContact CG1-O 3.31Å; E320-E349 HydrophobicContact CB-CB 4.14Å; E320-E349 HydrophobicContact CG-CB 4.05Å; E320-E349 PolarHBondContact O-N 2.74Å; E320-R350 HydrophobicContact CB-CB 3.94Å; E320-R350 HydrophobicContact CB-CG 4.28Å; E320-R350 PolarHBondContact N-O 2.63Å; E320-R350 PolarHBondContact O-N 2.83Å; E320-R350 VanDerWaalsContact O-N 3.14Å; E320-R350 WeakPolarHBondContact OE2-CD 3.45Å; E320-R350 IonicContact OE2-CZ 3.06Å; E320-R350 IonicContact OE2-NE 2.81Å; E320-R350 IonicContact OE2-NH1 2.77Å; E320-R350 PolarHBondContact OE2-NH1 3.46Å
321S86.9Confident82Confident29 Ų2947.9 Ų47.920%0.20324%0.243CC..EExtended strand (participates in β ladder)trans-140.5161176.965.50000112.2N345 I347S321-N345 WeakPolarHBondContact OG-CA 3.38Å; S321-N345 PolarHBondContact OG-OD1 3Å; S321-I347 CarbonylContact C-O 3.57Å; S321-I347 WeakPolarHBondContact CA-O 3.07Å; S321-I347 VanDerWaalsContact CB-O 3.31Å; S321-I347 WeakPolarHBondContact CB-O 3.35Å
322S86.4Confident83.4Confident1 Ų143 Ų431%0.00723%0.226CC..EExtended strand (participates in β ladder)trans-125.7151.8179.567.10000112.3R71 M346 I347 E349R71-S322 PolarHBondContact NE-OG 3.17Å; S322-M346 PolarHBondContact O-N 3.37Å; S322-M346 VanDerWaalsContact O-N 3.16Å; S322-I347 PolarHBondContact N-O 2.8Å; S322-I347 PolarHBondContact O-N 2.64Å; S322-I347 VanDerWaalsContact O-N 3.11Å; S322-I347 WeakPolarHBondContact OG-CB 3.21Å; S322-E349 VanDerWaalsContact CB-OE1 3.26Å; S322-E349 WeakPolarHBondContact CB-OE1 3.49Å; S322-E349 PolarHBondContact OG-OE1 2.77Å
323P90.8Very high84.1Confident20 Ų2043.3 Ų43.313%0.1323%0.228CC..EExtended strand (participates in β ladder)trans-77.6152.818031.9-35.4000111.8H67 F343H67-P323 PolarHBondContact CD2-O 2.96Å; H67-P323 PolarHBondContact NE2-O 3.45Å; P323-F343 CarbonylContact C-O 3.59Å; P323-F343 WeakPolarHBondContact CA-O 3.47Å; P323-F343 WeakPolarHBondContact CB-O 3.37Å
324L88.5Confident84.4Confident12 Ų1245.3 Ų45.36%0.06324%0.243CC..EExtended strand (participates in β ladder)trans-111.1121.5173.8-177.767.6000110.7F277 P290 Y293 I326 F343 M346 I347F277-L324 HydrophobicContact CE2-CD2 4.16Å; F277-L324 HydrophobicContact CZ-CD2 4.33Å; P290-L324 HydrophobicContact CG-CD1 4.39Å; P290-L324 HydrophobicContact CG-CD2 4.3Å; Y293-L324 HydrophobicContact CD1-CD2 3.49Å; Y293-L324 VanDerWaalsContact CD1-CD2 3.49Å; Y293-L324 HydrophobicContact CD2-CD1 4.32Å; Y293-L324 HydrophobicContact CD2-CD2 3.79Å; Y293-L324 HydrophobicContact CE1-CD2 3.69Å; Y293-L324 HydrophobicContact CE2-CD2 3.95Å; Y293-L324 HydrophobicContact CG-CD1 4.28Å; Y293-L324 HydrophobicContact CG-CD2 3.54Å; L324-I326 HydrophobicContact CD2-CD1 4.01Å; L324-I326 HydrophobicContact CD2-CG1 3.93Å; L324-I326 HydrophobicContact CG-CD1 4.44Å; L324-I326 HydrophobicContact CG-CG1 3.93Å; L324-I326 PolarHBondContact O-N 3.07Å; L324-F343 PolarHBondContact N-O 3.22Å; L324-F343 PolarHBondContact O-N 3.09Å; L324-M346 HydrophobicContact CB-CB 3.56Å; L324-M346 HydrophobicContact CB-CG 3.93Å; L324-M346 HydrophobicContact CD2-CE 4.31Å; L324-I347 HydrophobicContact CD1-CD1 4.19Å
325P89.4Confident84.6Confident0 Ų047 Ų470%025%0.25CS..EExtended strand (participates in β ladder)trans-67.9126.3166.4-1932.6000110.5Y60 M63 L64 H67 A341 E342Y60-P325 HydrophobicContact CE2-CB 4.2Å; M63-P325 HydrophobicContact CB-CB 4.22Å; M63-P325 HydrophobicContact CB-CG 4.42Å; M63-P325 HydrophobicContact CE-CB 4.41Å; L64-P325 HydrophobicContact CD2-CB 4.35Å; L64-P325 HydrophobicContact CD2-CG 4.3Å; H67-P325 HydrophobicContact CB-CG 3.84Å; P325-A341 CarbonylContact C-O 3.44Å; P325-A341 WeakPolarHBondContact CA-O 3.31Å; P325-E342 HydrophobicContact CB-CG 4.36Å; P325-E342 HydrophobicContact CG-CG 4Å
326I88.9Confident84.7Confident2 Ų245.9 Ų45.91%0.0125%0.253CS..EExtended strand (participates in β ladder)trans-128.1137178.4-55.9179.9000109L30 F277 I287 E289 L324 Y328 V340 A341 F343 M346L30-I326 HydrophobicContact CD2-CD1 4.01Å; F277-I326 HydrophobicContact CE2-CD1 4.39Å; F277-I326 HydrophobicContact CZ-CD1 4.15Å; I287-I326 HydrophobicContact CD1-CG2 4.47Å; I287-I326 HydrophobicContact CG1-CG2 4.48Å; I287-I326 HydrophobicContact CG2-CG2 3.83Å; E289-I326 CarbonylContact O-C 3.57Å; E289-I326 WeakPolarHBondContact O-CA 3.4Å; E289-I326 WeakPolarHBondContact O-CG2 3.47Å; L324-I326 HydrophobicContact CD2-CD1 4.01Å; L324-I326 HydrophobicContact CD2-CG1 3.93Å; L324-I326 HydrophobicContact CG-CD1 4.44Å; L324-I326 HydrophobicContact CG-CG1 3.93Å; L324-I326 PolarHBondContact O-N 3.07Å; I326-Y328 HydrophobicContact CG2-CD1 4.38Å; I326-V340 WeakPolarHBondContact O-CA 3.24Å; I326-A341 PolarHBondContact N-O 3.03Å; I326-A341 PolarHBondContact O-N 3.31Å; I326-F343 HydrophobicContact CB-CD2 3.82Å; I326-F343 HydrophobicContact CB-CE2 3.72Å; I326-F343 HydrophobicContact CD1-CB 4.49Å; I326-F343 HydrophobicContact CD1-CD2 3.54Å; I326-F343 HydrophobicContact CD1-CE2 3.93Å; I326-F343 HydrophobicContact CD1-CG 4.12Å; I326-F343 HydrophobicContact CG1-CD2 3.72Å; I326-F343 HydrophobicContact CG1-CE2 4.11Å; I326-F343 HydrophobicContact CG2-CE2 4.42Å; I326-M346 HydrophobicContact CD1-CE 4.29Å
327M83.3Confident85Confident10 Ų1048.1 Ų48.15%0.04926%0.261CS..EExtended strand (participates in β ladder)trans-104.4124169.1-175.7169.858.700109V52 I56 Y60 I288 E289 I338 E339 V340V52-M327 HydrophobicContact CG1-CE 4.38Å; V52-M327 HydrophobicContact CG1-SD 3.8Å; V52-M327 HydrophobicContact CG2-CE 4.35Å; I56-M327 HydrophobicContact CG2-SD 3.98Å; Y60-M327 HydrophobicContact CD2-CB 4.22Å; Y60-M327 HydrophobicContact CE2-CB 4.47Å; I288-M327 WeakPolarHBondContact CA-O 3.37Å; I288-M327 HydrophobicContact CB-CE 4.05Å; I288-M327 HydrophobicContact CB-CG 4.32Å; I288-M327 HydrophobicContact CD1-CG 4.22Å; I288-M327 HydrophobicContact CG2-CE 3.66Å; I288-M327 PolarHBondContact N-O 2.8Å; E289-M327 HydrophobicContact CB-CB 4.11Å; E289-M327 HydrophobicContact CB-CE 3.83Å; E289-M327 HydrophobicContact CG-CE 3.43Å; E289-M327 VanDerWaalsContact CG-CE 3.43Å; E289-M327 PolarHBondContact N-O 2.78Å; E289-M327 VanDerWaalsContact N-O 3.1Å; E289-M327 PolarHBondContact O-N 2.96Å; M327-I338 HydrophobicContact CG-CG2 3.58Å; M327-I338 HydrophobicContact SD-CG2 3.98Å; M327-E339 CarbonylContact C-O 3.59Å; M327-E339 VanDerWaalsContact CA-O 3.32Å; M327-E339 WeakPolarHBondContact CA-O 3.32Å; M327-V340 HydrophobicContact CB-CG2 4.05Å; M327-V340 HydrophobicContact CG-CG2 3.84Å; M327-V340 HydrophobicContact SD-CG2 4.3Å
328Y89.1Confident85.1Confident10 Ų1046.4 Ų46.44%0.03925%0.25CC..EExtended strand (participates in β ladder)trans-144.4163.8-169.262.7-81.2000112.3L34 W286 I326 V330 I338 E339 A341 F343L34-Y328 HydrophobicContact CD1-CD2 4.17Å; L34-Y328 HydrophobicContact CD1-CE2 3.96Å; L34-Y328 HydrophobicContact CD2-CD2 4.41Å; L34-Y328 HydrophobicContact CD2-CE1 4.01Å; L34-Y328 HydrophobicContact CD2-CE2 3.48Å; L34-Y328 VanDerWaalsContact CD2-CE2 3.48Å; L34-Y328 VanDerWaalsContact CD2-OH 3.23Å; L34-Y328 WeakPolarHBondContact CD2-OH 3.36Å; L34-Y328 HydrophobicContact CG-CE2 4.35Å; W286-Y328 HydrophobicContact CE3-CD2 4.1Å; W286-Y328 HydrophobicContact CE3-CG 4.31Å; W286-Y328 AromaticContact CZ3-CD2 3.83Å; W286-Y328 HydrophobicContact CZ3-CD2 3.83Å; W286-Y328 HydrophobicContact CZ3-CG 4Å; W286-Y328 CarbonylContact O-C 3.54Å; W286-Y328 WeakPolarHBondContact O-CA 3.43Å; W286-Y328 WeakPolarHBondContact O-CB 3.43Å; I326-Y328 HydrophobicContact CG2-CD1 4.38Å; Y328-V330 HydrophobicContact CD2-CG2 3.59Å; Y328-V330 HydrophobicContact CE2-CG2 3.16Å; Y328-I338 WeakPolarHBondContact O-CA 3.37Å; Y328-E339 HydrophobicContact CE1-CB 4.08Å; Y328-E339 HydrophobicContact CE2-CB 4.08Å; Y328-E339 PolarHBondContact N-O 3.31Å; Y328-E339 PolarHBondContact O-N 2.96Å; Y328-E339 PolarHBondContact OH-OE2 2.84Å; Y328-A341 HydrophobicContact CE1-CB 3.82Å; Y328-F343 HydrophobicContact CD1-CE2 4.38Å; Y328-F343 HydrophobicContact CE1-CE2 4.27Å; Y328-F343 HydrophobicContact CE1-CZ 4.35Å
329L87.4Confident85.3Confident1 Ų146 Ų461%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-95.5132.3176.8-68.7170.4000110.6I42 L50 W286 I288 E337 I338I42-L329 HydrophobicContact CD1-CB 4.39Å; I42-L329 HydrophobicContact CG1-CB 4.24Å; I42-L329 HydrophobicContact CG2-CD1 3.88Å; L50-L329 HydrophobicContact CD1-CD2 3.85Å; L50-L329 HydrophobicContact CD2-CD1 4.25Å; L50-L329 HydrophobicContact CD2-CD2 4.1Å; W286-L329 HydrophobicContact CB-CB 4.32Å; W286-L329 PolarHBondContact O-N 3.01Å; I288-L329 HydrophobicContact CD1-CD2 3.97Å; I288-L329 HydrophobicContact CD1-CG 3.92Å; I288-L329 HydrophobicContact CG1-CG 4.13Å; L329-E337 WeakPolarHBondContact CA-O 3.25Å; L329-I338 HydrophobicContact CD2-CG1 3.73Å
330V87.1Confident85.5Confident15 Ų1544 Ų449%0.09123%0.23CC..EExtended strand (participates in β ladder)trans-118.5140.2171.3-174.80000108.7Y328 K332 T336 E337 E339Y328-V330 HydrophobicContact CD2-CG2 3.59Å; Y328-V330 HydrophobicContact CE2-CG2 3.16Å; V330-K332 HydrophobicContact CG1-CG 4.35Å; V330-T336 WeakPolarHBondContact O-CA 3.5Å; V330-E337 PolarHBondContact N-O 2.76Å; V330-E337 PolarHBondContact O-N 2.79Å; V330-E339 HydrophobicContact CG2-CB 4.44Å; V330-E339 HydrophobicContact CG2-CG 4.29Å
331K82.1Confident85.9Confident124 Ų12442.8 Ų42.854%0.53923%0.228SC..EExtended strand (participates in β ladder)trans-92.8115.2172.1-167175.6-178.8179.40109.2G333K331-G333 WeakPolarHBondContact CE-O 3.26Å; K331-G333 WeakPolarHBondContact CG-O 2.98Å
332K81.8Confident86Confident75 Ų7544 Ų4433%0.32623%0.231SC..EExtended strand (participates in β ladder)trans-111.594.9173.5-73.7-174.6-172.3158.90108.5V330 D334 Y335 E337 E339V330-K332 HydrophobicContact CG1-CG 4.35Å; K332-D334 PolarHBondContact O-N 3.02Å; K332-Y335 HydrophobicContact CB-CD2 4.37Å; K332-Y335 HydrophobicContact CB-CE1 4.3Å; K332-Y335 HydrophobicContact CB-CE2 3.72Å; K332-Y335 HydrophobicContact CD-CE2 4.43Å; K332-Y335 PolarHBondContact N-O 2.83Å; K332-Y335 WeakPolarHBondContact O-CD1 3.48Å; K332-Y335 WeakPolarHBondContact O-CE1 3.34Å; K332-Y335 PolarHBondContact O-N 2.84Å; K332-E337 VanDerWaalsContact CD-OE2 3.3Å; K332-E337 WeakPolarHBondContact CD-OE2 3.42Å; K332-E337 WeakPolarHBondContact CE-OE2 3.47Å; K332-E337 IonicContact NZ-OE2 3.48Å; K332-E337 PolarHBondContact NZ-OE2 3.04Å; K332-E339 WeakPolarHBondContact CE-OE1 3.3Å; K332-E339 IonicContact NZ-OE1 3.72Å; K332-E339 PolarHBondContact NZ-OE1 2.9Å
333G78.9Confident86.1Confident58 Ų5844.1 Ų44.160%0.59823%0.231SC*.THydrogen-bonded Turntrans63.8-116.2-172.600000111.2K331K331-G333 WeakPolarHBondContact CE-O 3.26Å; K331-G333 WeakPolarHBondContact CG-O 2.98Å
334D77.1Confident85.9Confident165 Ų16546.2 Ų46.288%0.88225%0.245SC*.THydrogen-bonded Turntrans-95.3-9.6-175.3-65.5-30.6000114.4K332K332-D334 PolarHBondContact O-N 3.02Å
335Y76.7Confident85.8Confident141 Ų14151.1 Ų51.155%0.55327%0.271SS*.EExtended strand (participates in β ladder)trans-110.8152.5179.263.7-89.1000112.1K332 E337K332-Y335 HydrophobicContact CB-CD2 4.37Å; K332-Y335 HydrophobicContact CB-CE1 4.3Å; K332-Y335 HydrophobicContact CB-CE2 3.72Å; K332-Y335 HydrophobicContact CD-CE2 4.43Å; K332-Y335 PolarHBondContact N-O 2.83Å; K332-Y335 WeakPolarHBondContact O-CD1 3.48Å; K332-Y335 WeakPolarHBondContact O-CE1 3.34Å; K332-Y335 PolarHBondContact O-N 2.84Å; Y335-E337 HydrophobicContact CE2-CB 4.44Å
336T82.7Confident85.7Confident63 Ų6351.6 Ų51.639%0.38727%0.273SS..EExtended strand (participates in β ladder)trans-98.7129.6173.149.30000109.3I42 V330I42-T336 HydrophobicContact CD1-CG2 3.83Å; V330-T336 WeakPolarHBondContact O-CA 3.5Å
337E87.1Confident85.6Confident73 Ų7351.6 Ų51.634%0.34127%0.274SS..EExtended strand (participates in β ladder)trans-115.2145177-170.4173.7-175.700109.8L329 V330 K332 Y335L329-E337 WeakPolarHBondContact CA-O 3.25Å; V330-E337 PolarHBondContact N-O 2.76Å; V330-E337 PolarHBondContact O-N 2.79Å; K332-E337 VanDerWaalsContact CD-OE2 3.3Å; K332-E337 WeakPolarHBondContact CD-OE2 3.42Å; K332-E337 WeakPolarHBondContact CE-OE2 3.47Å; K332-E337 IonicContact NZ-OE2 3.48Å; K332-E337 PolarHBondContact NZ-OE2 3.04Å; Y335-E337 HydrophobicContact CE2-CB 4.44Å
338I88.2Confident85.8Confident12 Ų1252 Ų526%0.06228%0.276CS..EExtended strand (participates in β ladder)trans-95.6122.1175-53.9172.4000108.9L50 V52 I56 I288 M327 Y328 L329L50-I338 HydrophobicContact CD1-CD1 3.73Å; L50-I338 HydrophobicContact CD1-CG1 4.03Å; L50-I338 HydrophobicContact CD2-CD1 4.31Å; L50-I338 HydrophobicContact CG-CD1 4.04Å; V52-I338 HydrophobicContact CB-CD1 4.21Å; V52-I338 HydrophobicContact CG1-CD1 4.39Å; V52-I338 HydrophobicContact CG2-CD1 3.93Å; I56-I338 HydrophobicContact CG2-CB 4.42Å; I56-I338 HydrophobicContact CG2-CG2 3.82Å; I288-I338 HydrophobicContact CD1-CB 4.37Å; I288-I338 HydrophobicContact CD1-CD1 4.15Å; I288-I338 HydrophobicContact CD1-CG1 3.96Å; I288-I338 HydrophobicContact CD1-CG2 3.57Å; M327-I338 HydrophobicContact CG-CG2 3.58Å; M327-I338 HydrophobicContact SD-CG2 3.98Å; Y328-I338 WeakPolarHBondContact O-CA 3.37Å; L329-I338 HydrophobicContact CD2-CG1 3.73Å
339E90.4Very high85.6Confident55 Ų5553.1 Ų53.126%0.25728%0.282SS..EExtended strand (participates in β ladder)trans-118.6162.6176.9-67.1-168.7174.500111.6M327 Y328 V330 K332M327-E339 CarbonylContact C-O 3.59Å; M327-E339 VanDerWaalsContact CA-O 3.32Å; M327-E339 WeakPolarHBondContact CA-O 3.32Å; Y328-E339 HydrophobicContact CE1-CB 4.08Å; Y328-E339 HydrophobicContact CE2-CB 4.08Å; Y328-E339 PolarHBondContact N-O 3.31Å; Y328-E339 PolarHBondContact O-N 2.96Å; Y328-E339 PolarHBondContact OH-OE2 2.84Å; V330-E339 HydrophobicContact CG2-CB 4.44Å; V330-E339 HydrophobicContact CG2-CG 4.29Å; K332-E339 WeakPolarHBondContact CE-OE1 3.3Å; K332-E339 IonicContact NZ-OE1 3.72Å; K332-E339 PolarHBondContact NZ-OE1 2.9Å
340V89.2Confident85.3Confident8 Ų856.4 Ų56.45%0.04829%0.294CS..EExtended strand (participates in β ladder)trans-135.9126.9177.9-175.30000108.7I56 K59 Y60 M63 I326 M327I56-V340 HydrophobicContact CG2-CG2 3.63Å; K59-V340 HydrophobicContact CD-CB 4.38Å; K59-V340 PolarHBondContact NZ-O 3.05Å; Y60-V340 HydrophobicContact CD2-CG1 3.81Å; Y60-V340 HydrophobicContact CG-CG1 4.45Å; M63-V340 HydrophobicContact CE-CG1 4.09Å; M63-V340 HydrophobicContact SD-CB 4.39Å; M63-V340 HydrophobicContact SD-CG1 3.53Å; M63-V340 VanDerWaalsContact SD-CG1 3.53Å; I326-V340 WeakPolarHBondContact O-CA 3.24Å; M327-V340 HydrophobicContact CB-CG2 4.05Å; M327-V340 HydrophobicContact CG-CG2 3.84Å; M327-V340 HydrophobicContact SD-CG2 4.3Å
341A91.1Very high85Confident25 Ų2556.4 Ų56.421%0.20730%0.295CS..EExtended strand (participates in β ladder)trans-140.4158.7-179.500000112.2P325 I326 Y328 F343P325-A341 CarbonylContact C-O 3.44Å; P325-A341 WeakPolarHBondContact CA-O 3.31Å; I326-A341 PolarHBondContact N-O 3.03Å; I326-A341 PolarHBondContact O-N 3.31Å; Y328-A341 HydrophobicContact CE1-CB 3.82Å; A341-F343 HydrophobicContact CB-CE2 3.94Å; A341-F343 HydrophobicContact CB-CZ 4.4Å
342E89.6Confident84.9Confident53 Ų5352.1 Ų52.125%0.24828%0.282CS..EExtended strand (participates in β ladder)trans-99.6123.4171.3-100.7174-164.200109.2M63 R70 P325M63-E342 HydrophobicContact CE-CB 4.02Å; M63-E342 HydrophobicContact CE-CG 3.57Å; R70-E342 IonicContact NH1-OE1 2.7Å; R70-E342 PolarHBondContact NH1-OE1 2.75Å; R70-E342 IonicContact NH1-OE2 3.9Å; R70-E342 PolarHBondContact NH1-OE2 3.41Å; P325-E342 HydrophobicContact CB-CG 4.36Å; P325-E342 HydrophobicContact CG-CG 4Å
343F87.7Confident84.6Confident4 Ų450.1 Ų50.12%0.01828%0.277CS..EExtended strand (participates in β ladder)trans-102.3117.2-180-71.1-88.7000110.2L30 K33 L34 P323 L324 I326 Y328 A341 M346L30-F343 HydrophobicContact CD2-CB 4.38Å; L30-F343 HydrophobicContact CD2-CD1 3.33Å; L30-F343 HydrophobicContact CD2-CD2 4.21Å; L30-F343 HydrophobicContact CD2-CE1 3.36Å; L30-F343 HydrophobicContact CD2-CE2 4.28Å; L30-F343 HydrophobicContact CD2-CG 3.71Å; L30-F343 HydrophobicContact CD2-CZ 3.83Å; L30-F343 HydrophobicContact CG-CD1 4.46Å; L30-F343 HydrophobicContact CG-CE1 4.46Å; K33-F343 HydrophobicContact CB-CD1 3.97Å; K33-F343 HydrophobicContact CB-CE1 3.94Å; K33-F343 HydrophobicContact CG-CD1 3.71Å; K33-F343 HydrophobicContact CG-CE1 3.86Å; L34-F343 HydrophobicContact CD1-CE1 4.35Å; L34-F343 HydrophobicContact CD1-CZ 4.03Å; L34-F343 HydrophobicContact CD2-CE1 4.02Å; L34-F343 HydrophobicContact CD2-CZ 3.6Å; L34-F343 HydrophobicContact CG-CE1 3.87Å; L34-F343 HydrophobicContact CG-CZ 3.8Å; P323-F343 CarbonylContact C-O 3.59Å; P323-F343 WeakPolarHBondContact CA-O 3.47Å; P323-F343 WeakPolarHBondContact CB-O 3.37Å; L324-F343 PolarHBondContact N-O 3.22Å; L324-F343 PolarHBondContact O-N 3.09Å; I326-F343 HydrophobicContact CB-CD2 3.82Å; I326-F343 HydrophobicContact CB-CE2 3.72Å; I326-F343 HydrophobicContact CD1-CB 4.49Å; I326-F343 HydrophobicContact CD1-CD2 3.54Å; I326-F343 HydrophobicContact CD1-CE2 3.93Å; I326-F343 HydrophobicContact CD1-CG 4.12Å; I326-F343 HydrophobicContact CG1-CD2 3.72Å; I326-F343 HydrophobicContact CG1-CE2 4.11Å; I326-F343 HydrophobicContact CG2-CE2 4.42Å; Y328-F343 HydrophobicContact CD1-CE2 4.38Å; Y328-F343 HydrophobicContact CE1-CE2 4.27Å; Y328-F343 HydrophobicContact CE1-CZ 4.35Å; A341-F343 HydrophobicContact CB-CE2 3.94Å; A341-F343 HydrophobicContact CB-CZ 4.4Å; F343-M346 HydrophobicContact CB-CG 3.61Å; F343-M346 HydrophobicContact CB-SD 4.31Å; F343-M346 VanDerWaalsContact O-CG 3.25Å; F343-M346 WeakPolarHBondContact O-CG 3.44Å
344P88.4Confident84.4Confident65 Ų6549.8 Ų49.842%0.42226%0.261SS..EExtended strand (participates in β ladder)trans-68.5159.6-177.630.7-35.4000111.9M346P344-M346 PolarHBondContact O-N 3.27Å; P344-M346 VanDerWaalsContact O-N 3.12Å
345N86.5Confident84.1Confident114 Ų11445 Ų4561%0.6124%0.235SC*.EExtended strand (participates in β ladder)trans57.426.7171.3-49.9-20.7000115.3S321S321-N345 WeakPolarHBondContact OG-CA 3.38Å; S321-N345 PolarHBondContact OG-OD1 3Å
346M86.7Confident83.1Confident10 Ų1042.1 Ų42.15%0.04923%0.229CC..EExtended strand (participates in β ladder)trans-85.8-27.9-176.3-72.2-63.3-76.300113M26 L30 F277 Y293 S322 L324 I326 F343 P344M26-M346 HydrophobicContact CG-CE 4.24Å; M26-M346 HydrophobicContact SD-CE 4.42Å; L30-M346 HydrophobicContact CD1-CE 4.45Å; L30-M346 HydrophobicContact CD2-CE 4.27Å; F277-M346 HydrophobicContact CZ-CE 4.3Å; Y293-M346 HydrophobicContact CE1-CE 4.19Å; Y293-M346 HydrophobicContact CE2-CB 4.41Å; Y293-M346 VanDerWaalsContact CE2-O 3.23Å; Y293-M346 WeakPolarHBondContact CE2-O 3.4Å; Y293-M346 VanDerWaalsContact OH-CE 3.29Å; Y293-M346 WeakPolarHBondContact OH-CE 3.41Å; Y293-M346 PolarHBondContact OH-O 3.32Å; Y293-M346 VanDerWaalsContact OH-O 3.12Å; S322-M346 PolarHBondContact O-N 3.37Å; S322-M346 VanDerWaalsContact O-N 3.16Å; L324-M346 HydrophobicContact CB-CB 3.56Å; L324-M346 HydrophobicContact CB-CG 3.93Å; L324-M346 HydrophobicContact CD2-CE 4.31Å; I326-M346 HydrophobicContact CD1-CE 4.29Å; F343-M346 HydrophobicContact CB-CG 3.61Å; F343-M346 HydrophobicContact CB-SD 4.31Å; F343-M346 VanDerWaalsContact O-CG 3.25Å; F343-M346 WeakPolarHBondContact O-CG 3.44Å; P344-M346 PolarHBondContact O-N 3.27Å; P344-M346 VanDerWaalsContact O-N 3.12Å
347I86.2Confident81.6Confident3 Ų346.6 Ų46.62%0.01525%0.251CS..EExtended strand (participates in β ladder)trans-123.7125-177.9-41.2169.1000110.1Y293 Q294 F296 S321 S322 L324 E349Y293-I347 HydrophobicContact CD2-CD1 4.47Å; Y293-I347 HydrophobicContact CD2-CG1 3.93Å; Y293-I347 HydrophobicContact CE2-CG1 3.89Å; Q294-I347 WeakPolarHBondContact O-CG2 3.28Å; F296-I347 HydrophobicContact CD2-CG2 3.91Å; F296-I347 HydrophobicContact CE2-CG2 4.32Å; S321-I347 CarbonylContact C-O 3.57Å; S321-I347 WeakPolarHBondContact CA-O 3.07Å; S321-I347 VanDerWaalsContact CB-O 3.31Å; S321-I347 WeakPolarHBondContact CB-O 3.35Å; S322-I347 PolarHBondContact N-O 2.8Å; S322-I347 PolarHBondContact O-N 2.64Å; S322-I347 VanDerWaalsContact O-N 3.11Å; S322-I347 WeakPolarHBondContact OG-CB 3.21Å; L324-I347 HydrophobicContact CD1-CD1 4.19Å; I347-E349 PolarHBondContact O-N 2.89Å
348V87.9Confident79.7Confident18 Ų1847.8 Ų47.811%0.10926%0.263CS..EExtended strand (participates in β ladder)trans-75.3120176.4177.20000109.1R270 A295 F296 V318R270-V348 WeakPolarHBondContact CD-O 3.47Å; R270-V348 HydrophobicContact CG-CG1 4.26Å; A295-V348 PolarHBondContact O-N 3.2Å; F296-V348 HydrophobicContact CB-CB 4.11Å; V318-V348 HydrophobicContact CG1-CG1 4.19Å; V318-V348 HydrophobicContact CG1-CG2 4.28Å; V318-V348 HydrophobicContact CG2-CG1 4.16Å; V318-V348 HydrophobicContact CG2-CG2 3.72Å
349E83.9Confident77.2Confident34 Ų3452.1 Ų52.116%0.15929%0.294CS..EExtended strand (participates in β ladder)trans-93.7-40.5175.2-64.1-59.9161.400111.2R71 R270 E320 S322 I347R71-E349 IonicContact CZ-OE1 2.99Å; R71-E349 IonicContact NE-OE1 3.32Å; R71-E349 PolarHBondContact NE-OE1 2.79Å; R71-E349 IonicContact NH2-OE1 2.91Å; R71-E349 PolarHBondContact NH2-OE1 3.43Å; R71-E349 IonicContact NH2-OE2 3.45Å; R270-E349 PolarHBondContact NH1-O 2.82Å; R270-E349 IonicContact NH1-OE2 3.06Å; E320-E349 HydrophobicContact CB-CB 4.14Å; E320-E349 HydrophobicContact CG-CB 4.05Å; E320-E349 PolarHBondContact O-N 2.74Å; S322-E349 VanDerWaalsContact CB-OE1 3.26Å; S322-E349 WeakPolarHBondContact CB-OE1 3.49Å; S322-E349 PolarHBondContact OG-OE1 2.77Å; I347-E349 PolarHBondContact O-N 2.89Å
350R80.9Confident74.8Confident70 Ų7054.5 Ų54.526%0.26431%0.312SS..EExtended strand (participates in β ladder)trans-142.8149.3-179.4-65.6-173.7174.2133.4-6.7112.3S319 E320S319-R350 PolarHBondContact N-O 2.86Å; S319-R350 VanDerWaalsContact OG-C 3.29Å; S319-R350 WeakPolarHBondContact OG-CB 3.5Å; S319-R350 PolarHBondContact OG-O 2.91Å; E320-R350 HydrophobicContact CB-CB 3.94Å; E320-R350 HydrophobicContact CB-CG 4.28Å; E320-R350 PolarHBondContact N-O 2.63Å; E320-R350 PolarHBondContact O-N 2.83Å; E320-R350 VanDerWaalsContact O-N 3.14Å; E320-R350 WeakPolarHBondContact OE2-CD 3.45Å; E320-R350 IonicContact OE2-CZ 3.06Å; E320-R350 IonicContact OE2-NE 2.81Å; E320-R350 IonicContact OE2-NH1 2.77Å; E320-R350 PolarHBondContact OE2-NH1 3.46Å
351C82Confident72Confident15 Ų1563.6 Ų63.610%0.10137%0.367CS..EExtended strand (participates in β ladder)trans-115.4142.9173.4-60.50000109.4C298 V317C298-C351 WeakPolarHBondContact CA-SG 3.41Å; C298-C351 HydrophobicContact CB-CB 3.74Å; C298-C351 WeakPolarHBondContact CB-SG 3.27Å; C298-C351 WeakPolarHBondContact SG-CA 3.5Å; C298-C351 WeakPolarHBondContact SG-CB 3.31Å; C298-C351 CovalentContact SG-SG 2.03Å; C298-C351 PolarHBondContact SG-SG 2.56Å; V317-C351 WeakPolarHBondContact O-CA 3.28Å
352A79.3Confident71.1Confident33 Ų3365.5 Ų65.527%0.27338%0.375SS..EExtended strand (participates in β ladder)trans-147.2156.6176.300000111.9V317 M354V317-A352 WeakPolarHBondContact CG2-O 3.17Å; V317-A352 PolarHBondContact N-O 2.87Å; V317-A352 PolarHBondContact O-N 3.01Å; A352-M354 HydrophobicContact CB-CG 4.38Å; A352-M354 PolarHBondContact O-N 2.89Å
353C77.1Confident70.1Confident33 Ų3366.2 Ų66.222%0.22338%0.382CS..EExtended strand (participates in β ladder)trans-83.8103.3172.6-720000110.6C268 C302 R314 R315C268-C353 VanDerWaalsContact CB-SG 3.52Å; C302-C353 VanDerWaalsContact CA-SG 3.58Å; C302-C353 HydrophobicContact CB-CB 3.78Å; C302-C353 WeakPolarHBondContact CB-SG 3.16Å; C302-C353 WeakPolarHBondContact SG-CA 3.47Å; C302-C353 WeakPolarHBondContact SG-CB 3.06Å; C302-C353 CovalentContact SG-SG 2.03Å; C302-C353 PolarHBondContact SG-SG 2.85Å; R314-C353 PolarHBondContact NE-O 2.82Å; R314-C353 PolarHBondContact NH2-O 2.96Å; R315-C353 WeakPolarHBondContact O-CA 3.47Å
354M73.9Confident69.1Low51 Ų5169.6 Ų69.625%0.25140%0.402SS..EExtended strand (participates in β ladder)trans-115.6159.9177.9-55.4-159.6-72.100111.4R314 R315 V317 A352 V360R314-M354 CarbonylContact C-O 3.58Å; R314-M354 VanDerWaalsContact CA-O 3.31Å; R314-M354 WeakPolarHBondContact CA-O 3.46Å; R315-M354 PolarHBondContact N-O 2.87Å; R315-M354 PolarHBondContact O-N 2.91Å; V317-M354 HydrophobicContact CB-CE 4.47Å; V317-M354 HydrophobicContact CG2-CB 3.65Å; V317-M354 HydrophobicContact CG2-CE 3.34Å; V317-M354 HydrophobicContact CG2-CG 3.74Å; V317-M354 HydrophobicContact CG2-SD 4.38Å; A352-M354 HydrophobicContact CB-CG 4.38Å; A352-M354 PolarHBondContact O-N 2.89Å; M354-V360 HydrophobicContact CE-CG2 3.68Å; M354-V360 HydrophobicContact SD-CG2 4.48Å
355L70.9Confident68Low65 Ų6569.9 Ų69.934%0.3440%0.401SS..EExtended strand (participates in β ladder)trans-80.1142.8173.2-67.3166.1000109.1R314 N357 V358R314-L355 HydrophobicContact CG-CD2 3.64Å; R314-L355 HydrophobicContact CG-CG 4.23Å; L355-N357 PolarHBondContact O-N 3.44Å; L355-V358 PolarHBondContact O-N 2.89Å
356D55.3Low66.8Low80 Ų8067.1 Ų67.143%0.42839%0.388SS..THydrogen-bonded Turntrans-57.3-12.5-176.1-75.6-40.8000115.3R315R315-D356 VanDerWaalsContact CD-OD1 3.3Å; R315-D356 WeakPolarHBondContact CD-OD1 3.4Å; R315-D356 IonicContact CZ-OD1 3.96Å; R315-D356 IonicContact CZ-OD2 3.16Å; R315-D356 IonicContact NE-OD1 3.74Å; R315-D356 IonicContact NE-OD2 2.74Å; R315-D356 PolarHBondContact NE-OD2 3.46Å; R315-D356 IonicContact NH1-OD1 3.85Å; R315-D356 PolarHBondContact NH1-OD1 2.92Å; R315-D356 IonicContact NH1-OD2 3.86Å; R315-D356 PolarHBondContact NH1-OD2 2.74Å; R315-D356 IonicContact NH2-OD2 2.73Å; R315-D356 PolarHBondContact NH2-OD2 3.03Å
357N51.7Low65.5Low158 Ų15870.9 Ų70.985%0.84541%0.411SS*.THydrogen-bonded Turntrans-107.711.1-173-12018.3000115.6L355L355-N357 PolarHBondContact O-N 3.44Å
358V47.3Very low64Low97 Ų9775.8 Ų75.859%0.58844%0.439SS*.  trans-108.186.9171.2-1710000107.9L355 V360L355-V358 PolarHBondContact O-N 2.89Å; V358-V360 PolarHBondContact O-N 3.41Å
359S35.6Very low62.2Low103 Ų10380.2 Ų80.272%0.7246%0.464SS*.  trans-61116.4166.839.90000108.7V361S359-V361 PolarHBondContact O-N 3Å
360V38.8Very low60.4Low105 Ų10584.1 Ų84.164%0.63649%0.49SS*.  trans-68.5110.2167.2-178.50000106.7M354 V358M354-V360 HydrophobicContact CE-CG2 3.68Å; M354-V360 HydrophobicContact SD-CG2 4.48Å; V358-V360 PolarHBondContact O-N 3.41Å
361V31.7Very low58.5Low199 Ų19985.4 Ų85.4100%1.20651%0.51SS*.  trans-82.50168.6176.60000109.4S359S359-V361 PolarHBondContact O-N 3Å

Retrieved 361 of 361 residues in 323.9 ms (Link to these results)