A0A087X9E0_POEFO Loading...

Interferon alpha/beta receptor 1b-like

AlphaFold DB , UniProt , Accession A0A087X9E0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 401 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
1M57.2Low62.4Low201 Ų201120.6 Ų120.699%0.9963%0.631SS**  0-480-77.4-128.6-85.900113.5A3 L4 V5M1-A3 PolarHBondContact O-N 2.96Å; M1-L4 PolarHBondContact O-N 3.22Å; M1-V5 WeakPolarHBondContact O-CG2 3.38Å; M1-V5 PolarHBondContact O-N 3.09Å
2L59.7Low62.2Low141 Ų141119 Ų11974%0.73863%0.63SS**Hα-helixtrans-62.2-33.3-179-8198.2000115.5V5 R6L2-V5 PolarHBondContact O-N 3.22Å; L2-R6 PolarHBondContact O-N 3.48Å; L2-R6 VanDerWaalsContact O-N 3.09Å
3A66.1Low61.6Low82 Ų82116.9 Ų116.968%0.67863%0.629SS**Hα-helixtrans-67.6-37.5179.300000113M1 R6 L7M1-A3 PolarHBondContact O-N 2.96Å; A3-R6 PolarHBondContact O-N 3.41Å; A3-L7 WeakPolarHBondContact O-CB 3.31Å; A3-L7 PolarHBondContact O-N 2.9Å
4L61.3Low61Low120 Ų120119 Ų11963%0.62864%0.639SS**Hα-helixtrans-69.3-37.8176.2-86.2151.9000111.8M1 L7 C8M1-L4 PolarHBondContact O-N 3.22Å; L4-L7 PolarHBondContact O-N 2.9Å; L4-C8 WeakPolarHBondContact O-CB 3.21Å; L4-C8 PolarHBondContact O-N 2.8Å; L4-C8 PolarHBondContact O-SG 3.47Å
5V67.9Low60.3Low84 Ų84123.2 Ų123.251%0.50965%0.649SS.*Hα-helixtrans-66.3-40176.1176.40000111.2M1 L2 C8 L9M1-V5 WeakPolarHBondContact O-CG2 3.38Å; M1-V5 PolarHBondContact O-N 3.09Å; L2-V5 PolarHBondContact O-N 3.22Å; V5-C8 PolarHBondContact O-N 3.48Å; V5-L9 HydrophobicContact CG1-CD1 4Å; V5-L9 WeakPolarHBondContact O-CB 3.42Å; V5-L9 WeakPolarHBondContact O-CG 3.47Å; V5-L9 PolarHBondContact O-N 2.95Å
6R63.8Low59.5Low182 Ų182118.4 Ų118.469%0.68764%0.638SS**Hα-helixtrans-67.9-37.4175.2-73.3-166.7178.6-146.91.2112.9L2 A3 L9 L10L2-R6 PolarHBondContact O-N 3.48Å; L2-R6 VanDerWaalsContact O-N 3.09Å; A3-R6 PolarHBondContact O-N 3.41Å; R6-L9 PolarHBondContact O-N 3.44Å; R6-L10 WeakPolarHBondContact O-CB 3.35Å; R6-L10 WeakPolarHBondContact O-CG 3.44Å; R6-L10 PolarHBondContact O-N 3.01Å
7L67.4Low58.9Low101 Ų101118.6 Ų118.653%0.52965%0.651SS.*Hα-helixtrans-67.8-40175.7-159.277.8000111.5A3 L4 L10 F11A3-L7 WeakPolarHBondContact O-CB 3.31Å; A3-L7 PolarHBondContact O-N 2.9Å; L4-L7 PolarHBondContact O-N 2.9Å; L7-L10 PolarHBondContact O-N 3.02Å; L7-F11 HydrophobicContact CG-CD2 4.48Å; L7-F11 PolarHBondContact O-N 2.76Å
8C62.2Low58Low79 Ų79117.6 Ų117.653%0.53466%0.661SS.*Hα-helixtrans-65.4-41.6173.4-76.60000112.3L4 V5 F11 V12L4-C8 WeakPolarHBondContact O-CB 3.21Å; L4-C8 PolarHBondContact O-N 2.8Å; L4-C8 PolarHBondContact O-SG 3.47Å; V5-C8 PolarHBondContact O-N 3.48Å; C8-F11 PolarHBondContact O-N 3.39Å; C8-V12 WeakPolarHBondContact O-CB 3.42Å; C8-V12 WeakPolarHBondContact O-CG2 3.26Å; C8-V12 PolarHBondContact O-N 2.82Å
9L60.5Low57.2Low100 Ų100116 Ų11652%0.52466%0.664SS.*Hα-helixtrans-64.9-39.5175.3-76.3165.8000111.8V5 R6 V12 C13V5-L9 HydrophobicContact CG1-CD1 4Å; V5-L9 WeakPolarHBondContact O-CB 3.42Å; V5-L9 WeakPolarHBondContact O-CG 3.47Å; V5-L9 PolarHBondContact O-N 2.95Å; R6-L9 PolarHBondContact O-N 3.44Å; L9-V12 PolarHBondContact O-N 3.29Å; L9-C13 WeakPolarHBondContact O-CB 3.31Å; L9-C13 PolarHBondContact O-N 3.34Å; L9-C13 PolarHBondContact O-SG 3.23Å
10L61Low56.6Low106 Ų106119.5 Ų119.556%0.55567%0.674SS**Hα-helixtrans-64.5-41.6173.7-78.8163.6000111.9R6 L7 C13 L14R6-L10 WeakPolarHBondContact O-CB 3.35Å; R6-L10 WeakPolarHBondContact O-CG 3.44Å; R6-L10 PolarHBondContact O-N 3.01Å; L7-L10 PolarHBondContact O-N 3.02Å; L10-C13 PolarHBondContact O-N 2.89Å; L10-L14 WeakPolarHBondContact O-CB 3.13Å; L10-L14 WeakPolarHBondContact O-CD1 3.3Å; L10-L14 PolarHBondContact O-N 2.85Å
11F59.8Low56.7Low131 Ų131118.5 Ų118.558%0.57568%0.681SS**Hα-helixtrans-67-34.6174.9-102.8-84.9000113L7 C8 K15L7-F11 HydrophobicContact CG-CD2 4.48Å; L7-F11 PolarHBondContact O-N 2.76Å; C8-F11 PolarHBondContact O-N 3.39Å; F11-K15 WeakPolarHBondContact O-CB 3.5Å; F11-K15 WeakPolarHBondContact O-CG 3.26Å; F11-K15 PolarHBondContact O-N 3.45Å
12V59.1Low57.4Low101 Ų101111.8 Ų111.861%0.61266%0.664SS**Hα-helixtrans-71.1-35.4174.2170.90000111.1C8 L9 K15 G16C8-V12 WeakPolarHBondContact O-CB 3.42Å; C8-V12 WeakPolarHBondContact O-CG2 3.26Å; C8-V12 PolarHBondContact O-N 2.82Å; L9-V12 PolarHBondContact O-N 3.29Å; V12-K15 PolarHBondContact O-N 3.41Å; V12-G16 PolarHBondContact O-N 3.45Å
13C55.5Low58.7Low92 Ų92106.5 Ų106.562%0.62264%0.636SS**Hα-helixtrans-72.7-35.6173.3-70.90000113L9 L10 K15 G16L9-C13 WeakPolarHBondContact O-CB 3.31Å; L9-C13 PolarHBondContact O-N 3.34Å; L9-C13 PolarHBondContact O-SG 3.23Å; L10-C13 PolarHBondContact O-N 2.89Å; C13-K15 PolarHBondContact O-N 2.91Å; C13-G16 PolarHBondContact O-N 3.29Å
14L52.9Low59.9Low146 Ų146105.3 Ų105.376%0.76462%0.62SS**Hα-helixtrans-70.8-19174.4-88148000113L10L10-L14 WeakPolarHBondContact O-CB 3.13Å; L10-L14 WeakPolarHBondContact O-CD1 3.3Å; L10-L14 PolarHBondContact O-N 2.85Å
15K49.7Very low61.4Low182 Ų182102.4 Ų102.479%0.79161%0.608SS**THydrogen-bonded Turntrans-91.7-6.2173.7-69.7-98.7-178.71740113F11 V12 C13F11-K15 WeakPolarHBondContact O-CB 3.5Å; F11-K15 WeakPolarHBondContact O-CG 3.26Å; F11-K15 PolarHBondContact O-N 3.45Å; V12-K15 PolarHBondContact O-N 3.41Å; C13-K15 PolarHBondContact O-N 2.91Å
16G48.7Very low62.7Low46 Ų4698.4 Ų98.447%0.47458%0.584SS.*SBendtrans-104.2120.4179.500000111.8V12 C13V12-G16 PolarHBondContact O-N 3.45Å; C13-G16 PolarHBondContact O-N 3.29Å
17S48.4Very low64.2Low122 Ų12293 Ų9385%0.85357%0.567SS**  trans74.955.7171.9-66.90000117.5
18A42.2Very low65.6Low101 Ų10193.8 Ų93.884%0.83557%0.572SS**  -94.585123.600000106E20A18-E20 PolarHBondContact O-N 2.86Å
19A44Very low67.2Low87 Ų8791.1 Ų91.172%0.71955%0.552SS**  trans-63101.2156.800000104.1A21A19-A21 PolarHBondContact O-N 3.48Å
20E44.6Very low69Low185 Ų18592.1 Ų92.186%0.86455%0.552SS**  trans-45.4112.6163.5-169.6171-16000105.2A18 G22A18-E20 PolarHBondContact O-N 2.86Å; E20-G22 PolarHBondContact O-N 2.81Å
21A58.2Low70.8Confident100 Ų10087.8 Ų87.883%0.82653%0.529SS*.  trans-6590.4-174.500000106.7A19 L23A19-A21 PolarHBondContact O-N 3.48Å; A21-L23 PolarHBondContact O-N 2.79Å
22G71.8Confident72.5Confident60 Ų6085.9 Ų85.962%0.61952%0.524SS*.PPolyproline II helixtrans-59137.5-17600000109E20 T24E20-G22 PolarHBondContact O-N 2.81Å; G22-T24 PolarHBondContact O-N 3.34Å
23L87.3Confident74.4Confident29 Ų2982.4 Ų82.415%0.15250%0.504CS..PPolyproline II helixtrans-49.8128.3177.2-174.364.7000109.7A21 W44 T104 L106 S111A21-L23 PolarHBondContact O-N 2.79Å; L23-W44 HydrophobicContact CD1-CZ2 4.15Å; L23-T104 HydrophobicContact CD2-CG2 3.87Å; L23-T104 WeakPolarHBondContact CD2-O 3.2Å; L23-T104 HydrophobicContact CG-CG2 4.27Å; L23-L106 HydrophobicContact CD1-CB 3.88Å; L23-L106 HydrophobicContact CD1-CD2 3.73Å; L23-L106 HydrophobicContact CD1-CG 4.47Å; L23-L106 HydrophobicContact CD2-CB 3.71Å; L23-L106 HydrophobicContact CG-CB 4.48Å; L23-S111 WeakPolarHBondContact O-CB 3.45Å
24T91.4Very high76.3Confident58 Ų5882.1 Ų82.136%0.35650%0.495SS..PPolyproline II helixtrans-63.2129.8-176.351.30000109.6G22 W44 A48 T104G22-T24 PolarHBondContact O-N 3.34Å; T24-W44 PolarHBondContact O-NE1 3.18Å; T24-W44 PolarHBondContact OG1-NE1 3.07Å; T24-W44 VanDerWaalsContact OG1-NE1 3.1Å; T24-A48 HydrophobicContact CG2-CB 4.19Å; T24-A48 VanDerWaalsContact OG1-CB 3.31Å; T24-A48 WeakPolarHBondContact OG1-CB 3.35Å; T24-T104 PolarHBondContact O-OG1 3.22Å
25P93.6Very high78.4Confident58 Ų5875.8 Ų75.838%0.37746%0.463SS..PPolyproline II helixtrans-74.1155.5175.631.6-35.1000110.8V112P25-V112 WeakPolarHBondContact CB-O 3.16Å
26P95.5Very high80.6Confident1 Ų167.5 Ų67.51%0.00643%0.427CS..PPolyproline II helixtrans-57.3149.1169.4-23.936.2000111.9L29 W42 F56 V102 T104 K114P26-L29 HydrophobicContact CB-CD1 4.28Å; P26-W42 HydrophobicContact CB-CB 4.1Å; P26-W42 HydrophobicContact CB-CG 3.99Å; P26-F56 HydrophobicContact CG-CD1 3.97Å; P26-F56 HydrophobicContact CG-CE1 4.1Å; P26-V102 HydrophobicContact CB-CG1 3.76Å; P26-V102 HydrophobicContact CG-CG1 3.87Å; P26-V102 HydrophobicContact CG-CG2 4.07Å; P26-T104 WeakPolarHBondContact CD-OG1 3.41Å; P26-T104 WeakPolarHBondContact CG-OG1 3.49Å; P26-K114 WeakPolarHBondContact O-CB 3.42Å; P26-K114 VanDerWaalsContact O-CG 3.28Å; P26-K114 WeakPolarHBondContact O-CG 3.43Å
27H94.4Very high82.9Confident68 Ų6868.9 Ų68.932%0.31542%0.424SS..EExtended strand (participates in β ladder)trans-128.7173.9176.356.787000111.2L29 D43H27-L29 VanDerWaalsContact C-N 3.27Å; H27-L29 PolarHBondContact O-N 3.49Å; H27-D43 IonicContact CE1-OD2 3.48Å; H27-D43 PolarHBondContact CE1-OD2 3.4Å; H27-D43 PolarHBondContact N-O 2.92Å; H27-D43 PolarHBondContact O-N 3.36Å
28D96.1Very high85.2Confident118 Ų11863.4 Ų63.463%0.63138%0.384SS*.EExtended strand (participates in β ladder)trans50.346.2178.7-53-38.7000113.8F30D28-F30 PolarHBondContact O-N 2.85Å
29L97.8Very high87.9Confident23 Ų2360.5 Ų60.512%0.1236%0.356CS..EExtended strand (participates in β ladder)trans-60.5128.8175.1-83.158.4000109.4P26 H27 L40 T41 W42 V102 K114 I116P26-L29 HydrophobicContact CB-CD1 4.28Å; H27-L29 VanDerWaalsContact C-N 3.27Å; H27-L29 PolarHBondContact O-N 3.49Å; L29-L40 HydrophobicContact CB-CD1 4.39Å; L29-L40 HydrophobicContact CG-CD1 4.43Å; L29-T41 CarbonylContact C-O 3.57Å; L29-T41 WeakPolarHBondContact CA-O 3.47Å; L29-W42 HydrophobicContact CD1-CB 3.97Å; L29-W42 HydrophobicContact CG-CB 4.33Å; L29-V102 HydrophobicContact CD1-CG1 3.92Å; L29-V102 HydrophobicContact CD2-CG1 3.89Å; L29-V102 HydrophobicContact CG-CG1 3.95Å; L29-K114 HydrophobicContact CD1-CB 4.04Å; L29-K114 HydrophobicContact CD1-CG 3.45Å; L29-K114 VanDerWaalsContact CD1-CG 3.45Å; L29-K114 HydrophobicContact CD2-CB 4.22Å; L29-K114 HydrophobicContact CD2-CG 3.82Å; L29-K114 HydrophobicContact CG-CG 4.26Å; L29-I116 HydrophobicContact CB-CB 4.35Å; L29-I116 HydrophobicContact CB-CD1 4.47Å; L29-I116 HydrophobicContact CB-CG2 4.45Å; L29-I116 HydrophobicContact CD2-CB 4.25Å; L29-I116 HydrophobicContact CD2-CG2 4.19Å
30F97.4Very high90.5Very high120 Ų12056.3 Ų56.353%0.52632%0.322SS..EExtended strand (participates in β ladder)trans-139.9136.5178.3-177.2-107.5000110.9D28 L32 T41D28-F30 PolarHBondContact O-N 2.85Å; F30-L32 HydrophobicContact CD1-CD2 3.96Å; F30-L32 HydrophobicContact CD1-CG 3.92Å; F30-L32 HydrophobicContact CE1-CD2 3.53Å; F30-L32 HydrophobicContact CE1-CG 3.94Å; F30-T41 PolarHBondContact N-O 3.27Å; F30-T41 PolarHBondContact O-N 3.42Å; F30-T41 PolarHBondContact O-OG1 2.93Å
31M97.7Very high93.1Very high15 Ų1549 Ų497%0.07429%0.29CS..EExtended strand (participates in β ladder)trans-94.1103.7174.7-71-63.4-58.500109.2T33 L40 L87 F118M31-T33 HydrophobicContact CB-CG2 4.06Å; M31-T33 PolarHBondContact O-N 2.95Å; M31-L40 HydrophobicContact CG-CD1 4.31Å; M31-L40 HydrophobicContact SD-CB 3.78Å; M31-L40 HydrophobicContact SD-CD1 3.5Å; M31-L40 WeakPolarHBondContact SD-CD1 3.34Å; M31-L40 HydrophobicContact SD-CG 4.25Å; M31-L87 HydrophobicContact CE-CD1 4.44Å; M31-F118 HydrophobicContact CB-CD2 4.24Å; M31-F118 HydrophobicContact CB-CE2 4.38Å; M31-F118 HydrophobicContact CE-CD1 3.95Å; M31-F118 HydrophobicContact CE-CD2 4.35Å; M31-F118 HydrophobicContact CE-CE1 3.91Å; M31-F118 HydrophobicContact CE-CE2 4.34Å; M31-F118 HydrophobicContact CE-CG 4.18Å; M31-F118 HydrophobicContact CE-CZ 4.12Å; M31-F118 HydrophobicContact CG-CB 4.43Å; M31-F118 HydrophobicContact CG-CD2 3.99Å; M31-F118 HydrophobicContact CG-CG 4.19Å
32L97.3Very high94.9Very high91 Ų9144.8 Ų44.848%0.47625%0.253SS..EExtended strand (participates in β ladder)trans-73.3120.6166.4-72.6168.4000108.5F30 T39 T41F30-L32 HydrophobicContact CD1-CD2 3.96Å; F30-L32 HydrophobicContact CD1-CG 3.92Å; F30-L32 HydrophobicContact CE1-CD2 3.53Å; F30-L32 HydrophobicContact CE1-CG 3.94Å; L32-T39 PolarHBondContact N-O 3.49Å; L32-T39 PolarHBondContact O-N 3.05Å; L32-T41 HydrophobicContact CD1-CG2 3.47Å; L32-T41 VanDerWaalsContact CD1-CG2 3.47Å; L32-T41 HydrophobicContact CG-CG2 4.18Å
33T97.3Very high96Very high29 Ų2945.8 Ų45.818%0.17824%0.244CC..EExtended strand (participates in β ladder)trans-137141.8-173.560.80000112.3M31 N37 Y38 F118 A124 A125M31-T33 HydrophobicContact CB-CG2 4.06Å; M31-T33 PolarHBondContact O-N 2.95Å; T33-N37 VanDerWaalsContact CA-O 3.3Å; T33-N37 WeakPolarHBondContact CA-O 3.1Å; T33-Y38 HydrophobicContact CG2-CD1 3.92Å; T33-F118 HydrophobicContact CG2-CE2 3.77Å; T33-F118 HydrophobicContact CG2-CZ 3.87Å; T33-A124 VanDerWaalsContact OG1-CA 3.31Å; T33-A124 WeakPolarHBondContact OG1-CA 3.2Å; T33-A125 PolarHBondContact OG1-N 2.84Å
34L96.8Very high96.3Very high85 Ų8544.5 Ų44.545%0.44524%0.237SC..EExtended strand (participates in β ladder)trans-151.1120.1168.4-176.266.8000108.6T36 N37L34-T36 PolarHBondContact O-N 3.35Å; L34-N37 PolarHBondContact N-O 2.89Å; L34-N37 VanDerWaalsContact N-O 3.1Å; L34-N37 WeakPolarHBondContact O-CB 3.23Å; L34-N37 PolarHBondContact O-N 2.89Å
35N96.1Very high96.2Very high14 Ų1446 Ų468%0.07524%0.243CC..THydrogen-bonded Turntrans54.3-105.4-171.1-63.9-23.8000110.5A125 G127 Q149 M156N35-A125 PolarHBondContact N-O 2.79Å; N35-G127 PolarHBondContact OD1-N 2.77Å; N35-Q149 PolarHBondContact ND2-O 3.04Å; N35-M156 HydrophobicContact CB-CE 4.21Å; N35-M156 HydrophobicContact CB-CG 4.03Å; N35-M156 HydrophobicContact CB-SD 3.66Å
36T96Very high95.6Very high8 Ų847 Ų475%0.04924%0.242CC..THydrogen-bonded Turntrans-117.311.4176.751.80000113.8L34 Y38 Y94 N150 S151 M156L34-T36 PolarHBondContact O-N 3.35Å; T36-Y38 VanDerWaalsContact CA-CE1 3.48Å; T36-Y38 VanDerWaalsContact CA-CZ 3.49Å; T36-Y38 WeakPolarHBondContact CA-OH 3.49Å; T36-Y38 WeakPolarHBondContact CG2-OH 3.5Å; T36-Y38 WeakPolarHBondContact O-CE2 3.28Å; T36-Y94 HydrophobicContact CG2-CD2 4.2Å; T36-N150 HydrophobicContact CG2-CB 3.95Å; T36-N150 WeakPolarHBondContact OG1-CA 3.34Å; T36-N150 VanDerWaalsContact OG1-CB 3.25Å; T36-N150 WeakPolarHBondContact OG1-CB 3.45Å; T36-S151 PolarHBondContact OG1-N 2.79Å; T36-S151 PolarHBondContact OG1-OG 2.54Å; T36-M156 HydrophobicContact CG2-CE 4.37Å; T36-M156 HydrophobicContact CG2-SD 4.05Å
37N97Very high94.8Very high75 Ų7551.2 Ų51.240%0.40127%0.272SS..EExtended strand (participates in β ladder)trans-82.2122.6168.7-65.5-36.5000108.3T33 L34 T88 S151T33-N37 VanDerWaalsContact CA-O 3.3Å; T33-N37 WeakPolarHBondContact CA-O 3.1Å; L34-N37 PolarHBondContact N-O 2.89Å; L34-N37 VanDerWaalsContact N-O 3.1Å; L34-N37 WeakPolarHBondContact O-CB 3.23Å; L34-N37 PolarHBondContact O-N 2.89Å; N37-T88 WeakPolarHBondContact CA-OG1 3.26Å; N37-T88 VanDerWaalsContact OD1-CG2 3.29Å; N37-T88 WeakPolarHBondContact OD1-CG2 3.4Å; N37-S151 WeakPolarHBondContact OD1-CB 3.3Å
38Y97.9Very high93.7Very high6 Ų650 Ų502%0.02427%0.273CS..EExtended strand (participates in β ladder)trans-128.4118.7-175.2-46.9-45.5000109.4T33 T36 D86 L87 T88 L92 F118 P120 A124T33-Y38 HydrophobicContact CG2-CD1 3.92Å; T36-Y38 VanDerWaalsContact CA-CE1 3.48Å; T36-Y38 VanDerWaalsContact CA-CZ 3.49Å; T36-Y38 WeakPolarHBondContact CA-OH 3.49Å; T36-Y38 WeakPolarHBondContact CG2-OH 3.5Å; T36-Y38 WeakPolarHBondContact O-CE2 3.28Å; Y38-D86 VanDerWaalsContact O-OD1 3.1Å; Y38-L87 PolarHBondContact O-N 3.42Å; Y38-T88 PolarHBondContact N-OG1 3.36Å; Y38-T88 PolarHBondContact O-N 3.17Å; Y38-L92 HydrophobicContact CD2-CD1 4.01Å; Y38-L92 HydrophobicContact CE2-CB 4.23Å; Y38-L92 HydrophobicContact CE2-CD1 4.34Å; Y38-F118 HydrophobicContact CD1-CE1 4.03Å; Y38-F118 AromaticContact CD1-CZ 3.59Å; Y38-F118 HydrophobicContact CD1-CZ 3.59Å; Y38-F118 HydrophobicContact CD2-CE1 4.09Å; Y38-F118 HydrophobicContact CD2-CZ 4.48Å; Y38-F118 HydrophobicContact CE1-CE1 4.33Å; Y38-F118 AromaticContact CE1-CZ 3.85Å; Y38-F118 HydrophobicContact CE1-CZ 3.85Å; Y38-F118 HydrophobicContact CE2-CE1 4.39Å; Y38-F118 AromaticContact CG-CE1 3.9Å; Y38-F118 HydrophobicContact CG-CE1 3.9Å; Y38-F118 AromaticContact CG-CZ 3.94Å; Y38-F118 HydrophobicContact CG-CZ 3.94Å; Y38-P120 HydrophobicContact CE1-CB 4.1Å; Y38-P120 HydrophobicContact CE2-CG 4.33Å; Y38-P120 WeakPolarHBondContact OH-CB 3.41Å; Y38-A124 HydrophobicContact CE1-CB 4.09Å
39T98.1Very high92.6Very high40 Ų4044.7 Ų44.725%0.24525%0.246CC..EExtended strand (participates in β ladder)trans-126118.1175.6-59.90000109L32 T41 C85L32-T39 PolarHBondContact N-O 3.49Å; L32-T39 PolarHBondContact O-N 3.05Å; T39-T41 HydrophobicContact CG2-CG2 4.27Å; T39-C85 CarbonylContact C-O 3.53Å; T39-C85 WeakPolarHBondContact CA-O 3.29Å
40L98.5Very high91.6Very high0 Ų046.4 Ų46.40%027%0.269CS..EExtended strand (participates in β ladder)trans-75.9133169.3-177.873.6000108.1L29 M31 W42 V58 S84 C85 L87 V100 V102 I116L29-L40 HydrophobicContact CB-CD1 4.39Å; L29-L40 HydrophobicContact CG-CD1 4.43Å; M31-L40 HydrophobicContact CG-CD1 4.31Å; M31-L40 HydrophobicContact SD-CB 3.78Å; M31-L40 HydrophobicContact SD-CD1 3.5Å; M31-L40 WeakPolarHBondContact SD-CD1 3.34Å; M31-L40 HydrophobicContact SD-CG 4.25Å; L40-W42 HydrophobicContact CB-CZ3 4.32Å; L40-W42 HydrophobicContact CD2-CE3 3.88Å; L40-W42 HydrophobicContact CD2-CZ3 3.88Å; L40-W42 HydrophobicContact CG-CE3 3.87Å; L40-W42 HydrophobicContact CG-CZ3 4.04Å; L40-V58 HydrophobicContact CD2-CG1 3.8Å; L40-V58 HydrophobicContact CD2-CG2 4.16Å; L40-S84 CarbonylContact O-C 3.53Å; L40-S84 WeakPolarHBondContact O-CA 3.11Å; L40-C85 PolarHBondContact N-O 3.4Å; L40-C85 PolarHBondContact O-N 3.21Å; L40-L87 HydrophobicContact CB-CD1 3.63Å; L40-V100 HydrophobicContact CD1-CG1 4.46Å; L40-V100 HydrophobicContact CD2-CG1 3.8Å; L40-V102 HydrophobicContact CD2-CB 4.25Å; L40-V102 HydrophobicContact CD2-CG1 4.48Å; L40-I116 HydrophobicContact CD1-CG2 3.95Å
41T98.3Very high90.4Very high31 Ų3146.9 Ų46.919%0.1929%0.287CS..EExtended strand (participates in β ladder)trans-125.4152.417253.90000109.5L29 F30 L32 T39 R83L29-T41 CarbonylContact C-O 3.57Å; L29-T41 WeakPolarHBondContact CA-O 3.47Å; F30-T41 PolarHBondContact N-O 3.27Å; F30-T41 PolarHBondContact O-N 3.42Å; F30-T41 PolarHBondContact O-OG1 2.93Å; L32-T41 HydrophobicContact CD1-CG2 3.47Å; L32-T41 VanDerWaalsContact CD1-CG2 3.47Å; L32-T41 HydrophobicContact CG-CG2 4.18Å; T39-T41 HydrophobicContact CG2-CG2 4.27Å; T41-R83 WeakPolarHBondContact CA-O 3.48Å
42W97.5Very high89.6Confident12 Ų1249.8 Ų49.85%0.04530%0.303CS..EExtended strand (participates in β ladder)trans-151.2162178.356.390.2000109.7P26 L29 L40 F56 V58 T80 G82 R83 C85 V102P26-W42 HydrophobicContact CB-CB 4.1Å; P26-W42 HydrophobicContact CB-CG 3.99Å; L29-W42 HydrophobicContact CD1-CB 3.97Å; L29-W42 HydrophobicContact CG-CB 4.33Å; L40-W42 HydrophobicContact CB-CZ3 4.32Å; L40-W42 HydrophobicContact CD2-CE3 3.88Å; L40-W42 HydrophobicContact CD2-CZ3 3.88Å; L40-W42 HydrophobicContact CG-CE3 3.87Å; L40-W42 HydrophobicContact CG-CZ3 4.04Å; W42-F56 AromaticContact CE2-CG 3.81Å; W42-F56 HydrophobicContact CH2-CB 4.37Å; W42-F56 HydrophobicContact CZ2-CB 3.49Å; W42-F56 VanDerWaalsContact CZ2-CB 3.49Å; W42-F56 HydrophobicContact CZ2-CD1 4.3Å; W42-F56 AromaticContact CZ2-CD2 3.88Å; W42-F56 HydrophobicContact CZ2-CD2 3.88Å; W42-F56 AromaticContact CZ2-CG 3.63Å; W42-F56 HydrophobicContact CZ2-CG 3.63Å; W42-F56 AromaticContact NE1-CD1 3.35Å; W42-F56 AromaticContact NE1-CD2 3.74Å; W42-F56 AromaticContact NE1-CE1 3.5Å; W42-F56 AromaticContact NE1-CE2 3.89Å; W42-F56 AromaticContact NE1-CG 3.48Å; W42-F56 AromaticContact NE1-CZ 3.77Å; W42-V58 HydrophobicContact CH2-CG2 3.66Å; W42-V58 HydrophobicContact CZ3-CG2 3.78Å; W42-T80 HydrophobicContact CH2-CG2 4.16Å; W42-T80 HydrophobicContact CZ2-CG2 4.22Å; W42-G82 VanDerWaalsContact CZ2-O 3.25Å; W42-G82 WeakPolarHBondContact CZ2-O 3.34Å; W42-R83 PolarHBondContact N-O 2.86Å; W42-R83 WeakPolarHBondContact O-CB 3.45Å; W42-C85 HydrophobicContact CH2-CB 3.93Å; W42-C85 HydrophobicContact CZ3-CB 3.91Å; W42-V102 HydrophobicContact CD2-CG1 4.42Å; W42-V102 HydrophobicContact CD2-CG2 4.07Å; W42-V102 HydrophobicContact CE3-CG2 4.27Å; W42-V102 HydrophobicContact CG-CG1 4.46Å; W42-V102 HydrophobicContact CH2-CG2 4.27Å; W42-V102 HydrophobicContact CZ2-CG2 4.06Å; W42-V102 HydrophobicContact CZ3-CG2 4.37Å
43D95.3Very high89Confident80 Ų8049.8 Ų49.843%0.42831%0.311SS..EExtended strand (participates in β ladder)trans-105.4154167.1-163.714.6000110.7H27H27-D43 IonicContact CE1-OD2 3.48Å; H27-D43 PolarHBondContact CE1-OD2 3.4Å; H27-D43 PolarHBondContact N-O 2.92Å; H27-D43 PolarHBondContact O-N 3.36Å
44W93.6Very high88.7Confident3 Ų348.6 Ų48.61%0.01130%0.304CS..  trans-159.5124.6179-170.675.8000111.2L23 T24 Q46 A48 A49 A54 F56 R83 T104L23-W44 HydrophobicContact CD1-CZ2 4.15Å; T24-W44 PolarHBondContact O-NE1 3.18Å; T24-W44 PolarHBondContact OG1-NE1 3.07Å; T24-W44 VanDerWaalsContact OG1-NE1 3.1Å; W44-Q46 PolarHBondContact O-N 3.24Å; W44-A48 HydrophobicContact CH2-CB 4Å; W44-A48 HydrophobicContact CZ2-CB 3.74Å; W44-A49 HydrophobicContact CH2-CB 3.47Å; W44-A49 VanDerWaalsContact CH2-CB 3.47Å; W44-A49 HydrophobicContact CZ3-CB 3.81Å; W44-A54 HydrophobicContact CE3-CB 4.17Å; W44-A54 HydrophobicContact CH2-CB 3.67Å; W44-A54 HydrophobicContact CZ2-CB 4.37Å; W44-A54 HydrophobicContact CZ3-CB 3.52Å; W44-F56 HydrophobicContact CB-CE1 3.9Å; W44-F56 HydrophobicContact CB-CZ 3.85Å; W44-F56 HydrophobicContact CD2-CE1 4.04Å; W44-F56 AromaticContact CD2-CZ 3.92Å; W44-F56 HydrophobicContact CD2-CZ 3.92Å; W44-F56 AromaticContact CE3-CZ 3.95Å; W44-F56 HydrophobicContact CE3-CZ 3.95Å; W44-F56 AromaticContact CG-CE1 3.73Å; W44-F56 HydrophobicContact CG-CE1 3.73Å; W44-F56 AromaticContact CG-CZ 3.87Å; W44-F56 HydrophobicContact CG-CZ 3.87Å; W44-R83 PolarHBondContact O-NE 3.06Å; W44-R83 PolarHBondContact O-NH2 3.3Å; W44-T104 HydrophobicContact CD2-CG2 4.31Å; W44-T104 HydrophobicContact CH2-CG2 4.39Å; W44-T104 HydrophobicContact CZ2-CG2 3.79Å; W44-T104 PolarHBondContact NE1-OG1 2.79Å
45D88.2Confident88.7Confident89 Ų8946.1 Ų46.148%0.47629%0.292SS..  trans-67.4108.8179.6-175.9-1.3000112S47 A48D45-S47 PolarHBondContact O-N 2.98Å; D45-S47 VanDerWaalsContact OD1-CB 3.23Å; D45-S47 WeakPolarHBondContact OD1-CB 3.39Å; D45-S47 PolarHBondContact OD1-N 3.45Å; D45-S47 PolarHBondContact OD1-OG 2.94Å; D45-S47 PolarHBondContact OD2-OG 3.28Å; D45-A48 WeakPolarHBondContact O-CB 3.37Å; D45-A48 PolarHBondContact O-N 3.29Å
46Q81.5Confident88.7Confident80 Ų8045.5 Ų45.537%0.37429%0.289SS..G310 helixtrans-63.5-25.4179.8-168.464.640.900113W44 A48 A49 R83W44-Q46 PolarHBondContact O-N 3.24Å; Q46-A48 PolarHBondContact O-N 3.42Å; Q46-A48 VanDerWaalsContact O-N 3.1Å; Q46-A49 PolarHBondContact O-N 3.36Å; Q46-R83 VanDerWaalsContact OE1-NH2 3.08Å
47S78.2Confident88.8Confident89 Ų8946 Ų4662%0.62229%0.292SS*.G310 helixtrans-60-24.8179.375.50000111.8D45 A49 G50D45-S47 PolarHBondContact O-N 2.98Å; D45-S47 VanDerWaalsContact OD1-CB 3.23Å; D45-S47 WeakPolarHBondContact OD1-CB 3.39Å; D45-S47 PolarHBondContact OD1-N 3.45Å; D45-S47 PolarHBondContact OD1-OG 2.94Å; D45-S47 PolarHBondContact OD2-OG 3.28Å; S47-A49 VanDerWaalsContact C-N 3.27Å; S47-A49 PolarHBondContact O-N 2.95Å; S47-G50 PolarHBondContact O-N 2.96Å
48A71.6Confident88.8Confident41 Ų4142.4 Ų42.434%0.33927%0.272SS..G310 helixtrans-69.8-17.117500000114.4T24 W44 D45 Q46T24-A48 HydrophobicContact CG2-CB 4.19Å; T24-A48 VanDerWaalsContact OG1-CB 3.31Å; T24-A48 WeakPolarHBondContact OG1-CB 3.35Å; W44-A48 HydrophobicContact CH2-CB 4Å; W44-A48 HydrophobicContact CZ2-CB 3.74Å; D45-A48 WeakPolarHBondContact O-CB 3.37Å; D45-A48 PolarHBondContact O-N 3.29Å; Q46-A48 PolarHBondContact O-N 3.42Å; Q46-A48 VanDerWaalsContact O-N 3.1Å
49A72.4Confident88.8Confident7 Ų743.5 Ų43.56%0.05828%0.278CS..G310 helixtrans-95.1-8.8175.700000113.8W44 Q46 S47 S51 D52 A54 L106W44-A49 HydrophobicContact CH2-CB 3.47Å; W44-A49 VanDerWaalsContact CH2-CB 3.47Å; W44-A49 HydrophobicContact CZ3-CB 3.81Å; Q46-A49 PolarHBondContact O-N 3.36Å; S47-A49 VanDerWaalsContact C-N 3.27Å; S47-A49 PolarHBondContact O-N 2.95Å; A49-S51 PolarHBondContact O-N 3.43Å; A49-D52 WeakPolarHBondContact CB-O 3.38Å; A49-D52 PolarHBondContact O-N 3.29Å; A49-A54 HydrophobicContact CB-CB 4.27Å; A49-L106 HydrophobicContact CB-CD1 4.08Å; A49-L106 HydrophobicContact CB-CD2 4.3Å
50G76.9Confident88.8Confident59 Ų5943.1 Ų43.161%0.60827%0.272SS*.THydrogen-bonded Turntrans58-119.8-175.500000112S47S47-G50 PolarHBondContact O-N 2.96Å
51S73.5Confident88.7Confident130 Ų13043.2 Ų43.291%0.90927%0.273SS*.THydrogen-bonded Turntrans-91.2-8.5178.3-57.60000114.2A49A49-S51 PolarHBondContact O-N 3.43Å
52D80Confident88.6Confident77 Ų7742 Ų4241%0.41227%0.267SS..SBendtrans-87.8158.3-176-67.3-34.4000111.5A49 L106 N107A49-D52 WeakPolarHBondContact CB-O 3.38Å; A49-D52 PolarHBondContact O-N 3.29Å; D52-L106 HydrophobicContact CB-CD1 3.82Å; D52-N107 PolarHBondContact OD2-ND2 3.04Å
53S84.7Confident88.3Confident91 Ų9143.8 Ų43.864%0.63628%0.277SS*.  trans-93.2112174.7-173.80000110
54A91.6Very high88Confident4 Ų445.9 Ų45.93%0.03328%0.284CS..  trans-67.7146.1168.200000110.9W44 A49 T104 L106W44-A54 HydrophobicContact CE3-CB 4.17Å; W44-A54 HydrophobicContact CH2-CB 3.67Å; W44-A54 HydrophobicContact CZ2-CB 4.37Å; W44-A54 HydrophobicContact CZ3-CB 3.52Å; A49-A54 HydrophobicContact CB-CB 4.27Å; A54-T104 HydrophobicContact CB-CG2 3.79Å; A54-L106 HydrophobicContact CB-CD1 4.2Å
55T94.9Very high87.8Confident32 Ų3247.8 Ų47.820%0.19629%0.293CS..EExtended strand (participates in β ladder)trans-122.7167.7168.168.80000110.1E79 T80 T104 N105T55-E79 HydrophobicContact CG2-CB 4.48Å; T55-T80 CarbonylContact C-O 3.53Å; T55-T80 VanDerWaalsContact CA-O 3.29Å; T55-T80 WeakPolarHBondContact CA-O 3.5Å; T55-T104 CarbonylContact O-C 3.48Å; T55-N105 PolarHBondContact N-O 2.83Å; T55-N105 PolarHBondContact O-N 3.01Å; T55-N105 PolarHBondContact OG1-ND2 3.5Å
56F96.6Very high87.9Confident2 Ų245.9 Ų45.91%0.00928%0.283CS..EExtended strand (participates in β ladder)trans-129.5143.5-175.7-55.3-84.4000110.9P26 W42 W44 E79 T80 G82 R83 V102 Q103 T104P26-F56 HydrophobicContact CG-CD1 3.97Å; P26-F56 HydrophobicContact CG-CE1 4.1Å; W42-F56 AromaticContact CE2-CG 3.81Å; W42-F56 HydrophobicContact CH2-CB 4.37Å; W42-F56 HydrophobicContact CZ2-CB 3.49Å; W42-F56 VanDerWaalsContact CZ2-CB 3.49Å; W42-F56 HydrophobicContact CZ2-CD1 4.3Å; W42-F56 AromaticContact CZ2-CD2 3.88Å; W42-F56 HydrophobicContact CZ2-CD2 3.88Å; W42-F56 AromaticContact CZ2-CG 3.63Å; W42-F56 HydrophobicContact CZ2-CG 3.63Å; W42-F56 AromaticContact NE1-CD1 3.35Å; W42-F56 AromaticContact NE1-CD2 3.74Å; W42-F56 AromaticContact NE1-CE1 3.5Å; W42-F56 AromaticContact NE1-CE2 3.89Å; W42-F56 AromaticContact NE1-CG 3.48Å; W42-F56 AromaticContact NE1-CZ 3.77Å; W44-F56 HydrophobicContact CB-CE1 3.9Å; W44-F56 HydrophobicContact CB-CZ 3.85Å; W44-F56 HydrophobicContact CD2-CE1 4.04Å; W44-F56 AromaticContact CD2-CZ 3.92Å; W44-F56 HydrophobicContact CD2-CZ 3.92Å; W44-F56 AromaticContact CE3-CZ 3.95Å; W44-F56 HydrophobicContact CE3-CZ 3.95Å; W44-F56 AromaticContact CG-CE1 3.73Å; W44-F56 HydrophobicContact CG-CE1 3.73Å; W44-F56 AromaticContact CG-CZ 3.87Å; W44-F56 HydrophobicContact CG-CZ 3.87Å; F56-E79 CarbonylContact O-C 3.51Å; F56-E79 VanDerWaalsContact O-CA 3.31Å; F56-E79 WeakPolarHBondContact O-CA 3.37Å; F56-E79 PolarHBondContact O-N 2.96Å; F56-T80 HydrophobicContact CB-CG2 4.03Å; F56-T80 WeakPolarHBondContact CD2-O 3.46Å; F56-T80 PolarHBondContact N-O 2.95Å; F56-T80 PolarHBondContact O-N 2.83Å; F56-G82 WeakPolarHBondContact CD2-O 3.42Å; F56-R83 HydrophobicContact CE2-CG 4.36Å; F56-V102 HydrophobicContact CB-CG2 4.08Å; F56-V102 HydrophobicContact CD1-CG2 4.48Å; F56-Q103 WeakPolarHBondContact CA-O 3.36Å; F56-T104 HydrophobicContact CD1-CG2 4.18Å; F56-T104 HydrophobicContact CE1-CG2 3.79Å; F56-T104 WeakPolarHBondContact CE1-OG1 3.42Å; F56-T104 HydrophobicContact CZ-CG2 4.43Å
57T97.8Very high88.2Confident17 Ų1750.5 Ų50.510%0.10430%0.301CS..EExtended strand (participates in β ladder)trans-117.2129.3173.8-62.70000109Q59 T75 C77 V102 Q103 N105 W113T57-Q59 HydrophobicContact CG2-CG 4.48Å; T57-T75 HydrophobicContact CG2-CG2 4.12Å; T57-C77 WeakPolarHBondContact CA-O 3.01Å; T57-V102 WeakPolarHBondContact O-CA 3.19Å; T57-Q103 PolarHBondContact N-O 3.23Å; T57-Q103 PolarHBondContact O-N 3.2Å; T57-Q103 VanDerWaalsContact O-N 3.11Å; T57-N105 PolarHBondContact OG1-ND2 2.87Å; T57-W113 HydrophobicContact CG2-CH2 4.06Å; T57-W113 VanDerWaalsContact O-CZ3 3.3Å; T57-W113 WeakPolarHBondContact O-CZ3 3.37Å
58V98.4Very high88.9Confident0 Ų051.6 Ų51.60%030%0.295CS..EExtended strand (participates in β ladder)trans-115.7130.9-179.4-179.90000110L40 W42 V76 C77 C85 V100 R101 V102L40-V58 HydrophobicContact CD2-CG1 3.8Å; L40-V58 HydrophobicContact CD2-CG2 4.16Å; W42-V58 HydrophobicContact CH2-CG2 3.66Å; W42-V58 HydrophobicContact CZ3-CG2 3.78Å; V58-V76 PolarHBondContact O-N 2.99Å; V58-C77 HydrophobicContact CB-CB 4.27Å; V58-C77 HydrophobicContact CG2-CB 4.47Å; V58-C77 PolarHBondContact N-O 2.95Å; V58-C85 HydrophobicContact CB-CB 4.08Å; V58-C85 HydrophobicContact CG1-CB 4.28Å; V58-C85 HydrophobicContact CG2-CB 3.65Å; V58-V100 HydrophobicContact CG1-CG1 3.92Å; V58-R101 WeakPolarHBondContact CA-O 3.46Å; V58-V102 HydrophobicContact CG2-CB 4.06Å; V58-V102 HydrophobicContact CG2-CG2 3.75Å
59Q98Very high89.6Confident29 Ų2961.2 Ų61.214%0.13632%0.322CS..EExtended strand (participates in β ladder)trans-130.6154.4176.7-64-174.3-22.900111.2T57 W73 T74 T75 V100 R101 W113T57-Q59 HydrophobicContact CG2-CG 4.48Å; Q59-W73 HydrophobicContact CB-CB 4.34Å; Q59-W73 HydrophobicContact CB-CE3 4.09Å; Q59-T74 CarbonylContact C-O 3.56Å; Q59-T74 WeakPolarHBondContact CA-O 2.81Å; Q59-T75 PolarHBondContact NE2-OG1 3.45Å; Q59-V100 CarbonylContact O-C 3.58Å; Q59-V100 WeakPolarHBondContact O-CA 3.33Å; Q59-R101 HydrophobicContact CB-CG 4.01Å; Q59-R101 PolarHBondContact N-O 2.91Å; Q59-R101 PolarHBondContact O-N 3.28Å; Q59-R101 VanDerWaalsContact OE1-NE 3.14Å; Q59-W113 HydrophobicContact CB-CH2 4.4Å; Q59-W113 HydrophobicContact CB-CZ3 4.46Å; Q59-W113 HydrophobicContact CG-CH2 3.79Å; Q59-W113 HydrophobicContact CG-CZ3 4.28Å
60Y97.7Very high90.4Very high32 Ų3267.3 Ų67.313%0.12535%0.354CS..EExtended strand (participates in β ladder)trans-132.3157.2168.577.3-77.2000111.6T74 V76 S90 L92 Y98 T99Y60-T74 HydrophobicContact CD1-CG2 4.37Å; Y60-T74 WeakPolarHBondContact CD1-O 3.09Å; Y60-T74 VanDerWaalsContact CE1-CB 3.46Å; Y60-T74 HydrophobicContact CE1-CG2 3.53Å; Y60-T74 PolarHBondContact N-O 2.87Å; Y60-T74 PolarHBondContact O-N 2.88Å; Y60-V76 HydrophobicContact CD1-CG2 3.36Å; Y60-V76 HydrophobicContact CE1-CG2 3.65Å; Y60-S90 PolarHBondContact OH-O 3.36Å; Y60-L92 HydrophobicContact CD2-CD2 3.48Å; Y60-L92 VanDerWaalsContact CD2-CD2 3.48Å; Y60-L92 HydrophobicContact CE1-CD2 4.47Å; Y60-L92 HydrophobicContact CE2-CD2 3.19Å; Y60-L92 HydrophobicContact CG-CD2 4.24Å; Y60-Y98 AromaticContact CD2-CD1 3.91Å; Y60-Y98 HydrophobicContact CD2-CD1 3.91Å; Y60-Y98 HydrophobicContact CD2-CE1 4.37Å; Y60-Y98 HydrophobicContact CE2-CD1 4.36Å; Y60-Y98 HydrophobicContact CE2-CE1 4.36Å; Y60-T99 CarbonylContact C-O 3.59Å; Y60-T99 VanDerWaalsContact CA-O 3.28Å; Y60-T99 WeakPolarHBondContact CA-O 2.92Å
61A97.1Very high91.1Very high3 Ų366.8 Ų66.83%0.02534%0.34CS..EExtended strand (participates in β ladder)trans-143.3141.1168.700000109.5L66 W73 Y98 T99A61-L66 HydrophobicContact CB-CD2 3.75Å; A61-L66 HydrophobicContact CB-CG 4.26Å; A61-W73 HydrophobicContact CB-CD2 3.84Å; A61-W73 HydrophobicContact CB-CE3 3.59Å; A61-W73 HydrophobicContact CB-CG 4.47Å; A61-W73 HydrophobicContact CB-CH2 4.21Å; A61-W73 HydrophobicContact CB-CZ2 4.44Å; A61-W73 HydrophobicContact CB-CZ3 3.79Å; A61-Y98 WeakPolarHBondContact O-CA 3.35Å; A61-T99 PolarHBondContact N-O 2.92Å; A61-T99 PolarHBondContact O-N 2.6Å
62G95.7Very high92.1Very high5 Ų567.8 Ų67.85%0.05233%0.328CS..EExtended strand (participates in β ladder)trans-67.7144.2168.700000110.3H64 Q65 L66G62-H64 PolarHBondContact O-N 3.32Å; G62-H64 VanDerWaalsContact O-N 3.09Å; G62-Q65 WeakPolarHBondContact O-CA 3.4Å; G62-Q65 WeakPolarHBondContact O-CB 2.91Å; G62-Q65 PolarHBondContact O-N 2.94Å; G62-L66 PolarHBondContact O-N 3.45Å
63N91Very high92.9Very high49 Ų4966.8 Ų66.826%0.26232%0.319SS..Hα-helixtrans-59.1-29.5-176.1-163.715.6000112.6Q65 L66 K67 L97N63-Q65 VanDerWaalsContact C-N 3.28Å; N63-Q65 PolarHBondContact O-N 2.93Å; N63-L66 PolarHBondContact O-N 3.48Å; N63-K67 PolarHBondContact O-N 3.34Å; N63-L97 HydrophobicContact CB-CB 4.25Å; N63-L97 HydrophobicContact CB-CD2 4.19Å; N63-L97 HydrophobicContact CB-CG 4.04Å; N63-L97 WeakPolarHBondContact CB-O 3.49Å; N63-L97 PolarHBondContact N-O 2.91Å; N63-L97 VanDerWaalsContact ND2-CD2 3.31Å; N63-L97 WeakPolarHBondContact ND2-CD2 3.4Å
64H88.7Confident93.5Very high124 Ų12465.3 Ų65.357%0.57431%0.306SS*.Hα-helixtrans-63-29.4172.869.5-90.3000113.6G62G62-H64 PolarHBondContact O-N 3.32Å; G62-H64 VanDerWaalsContact O-N 3.09Å
65Q90Very high93.8Very high44 Ų4468.3 Ų68.321%0.20632%0.324CS..Hα-helixtrans-77.5-32.7174.8-61.6-63.6-15.900111.7G62 N63 K67 K68 P71G62-Q65 WeakPolarHBondContact O-CA 3.4Å; G62-Q65 WeakPolarHBondContact O-CB 2.91Å; G62-Q65 PolarHBondContact O-N 2.94Å; N63-Q65 VanDerWaalsContact C-N 3.28Å; N63-Q65 PolarHBondContact O-N 2.93Å; Q65-K67 PolarHBondContact O-N 3.32Å; Q65-K68 WeakPolarHBondContact O-CB 3.34Å; Q65-K68 PolarHBondContact O-N 2.94Å; Q65-K68 VanDerWaalsContact O-N 3.07Å; Q65-K68 VanDerWaalsContact OE1-CE 3.31Å; Q65-P71 WeakPolarHBondContact O-CA 3.14Å; Q65-P71 WeakPolarHBondContact O-CB 3.42Å
66L89.8Confident93.9Very high49 Ų4968.8 Ų68.826%0.25733%0.326SS..Hα-helixtrans-64.7-25.6-179.9-61.3179.7000113.2A61 G62 N63 K68 P71 W73 T99A61-L66 HydrophobicContact CB-CD2 3.75Å; A61-L66 HydrophobicContact CB-CG 4.26Å; G62-L66 PolarHBondContact O-N 3.45Å; N63-L66 PolarHBondContact O-N 3.48Å; L66-K68 PolarHBondContact O-N 3.34Å; L66-P71 HydrophobicContact CD2-CB 4.01Å; L66-W73 HydrophobicContact CD2-CH2 3.77Å; L66-W73 HydrophobicContact CD2-CZ2 3.44Å; L66-W73 VanDerWaalsContact CD2-CZ2 3.44Å; L66-T99 HydrophobicContact CD1-CG2 4.47Å; L66-T99 WeakPolarHBondContact CD1-OG1 3.42Å
67K88.5Confident93.9Very high176 Ų17669.9 Ų69.977%0.76533%0.334SS*.THydrogen-bonded Turntrans-73-10.7175.1-63.9-178.4-178.7-1770113.7N63 Q65N63-K67 PolarHBondContact O-N 3.34Å; Q65-K67 PolarHBondContact O-N 3.32Å
68K91.2Very high93.8Very high112 Ų11272.7 Ų72.749%0.48736%0.359SS..SBendtrans-84.2153179.3-60.7-178.2-179.4173.10110.4Q65 L66 N70Q65-K68 WeakPolarHBondContact O-CB 3.34Å; Q65-K68 PolarHBondContact O-N 2.94Å; Q65-K68 VanDerWaalsContact O-N 3.07Å; Q65-K68 VanDerWaalsContact OE1-CE 3.31Å; L66-K68 PolarHBondContact O-N 3.34Å; K68-N70 PolarHBondContact O-N 3.45Å
69R87.6Confident93.5Very high243 Ų24378.9 Ų78.992%0.91739%0.388SS*.SBendtrans-53.7-40176.9-173.5177.4179.4179.60.5112.9
70N89.2Confident93.3Very high136 Ų13679.3 Ų79.373%0.72739%0.392SS*.SBendtrans-122.691.4176-66.8-22.9000108.7K68 K72K68-N70 PolarHBondContact O-N 3.45Å; N70-K72 PolarHBondContact O-N 3.28Å
71P92Very high93Very high48 Ų4881.9 Ų81.931%0.31242%0.415SS..PPolyproline II helixtrans-66.9130.9-17926.2-33.2000110.8Q65 L66Q65-P71 WeakPolarHBondContact O-CA 3.14Å; Q65-P71 WeakPolarHBondContact O-CB 3.42Å; L66-P71 HydrophobicContact CD2-CB 4.01Å
72K94.1Very high92.8Very high151 Ų15183.1 Ų83.166%0.65743%0.428SS*.PPolyproline II helixtrans-82.1118.6173.9-173.4177.6179.2-179.40109.3N70N70-K72 PolarHBondContact O-N 3.28Å
73W96.4Very high92.8Very high56 Ų5687.2 Ų87.221%0.21244%0.442CS..PPolyproline II helixtrans-100141.6173.2-65.887.9000110Q59 A61 L66 T99 R101Q59-W73 HydrophobicContact CB-CB 4.34Å; Q59-W73 HydrophobicContact CB-CE3 4.09Å; A61-W73 HydrophobicContact CB-CD2 3.84Å; A61-W73 HydrophobicContact CB-CE3 3.59Å; A61-W73 HydrophobicContact CB-CG 4.47Å; A61-W73 HydrophobicContact CB-CH2 4.21Å; A61-W73 HydrophobicContact CB-CZ2 4.44Å; A61-W73 HydrophobicContact CB-CZ3 3.79Å; L66-W73 HydrophobicContact CD2-CH2 3.77Å; L66-W73 HydrophobicContact CD2-CZ2 3.44Å; L66-W73 VanDerWaalsContact CD2-CZ2 3.44Å; W73-T99 HydrophobicContact CH2-CG2 3.99Å; W73-T99 HydrophobicContact CZ3-CG2 4.41Å; W73-R101 VanDerWaalsContact CD2-CZ 3.46Å; W73-R101 VanDerWaalsContact CE2-CZ 3.41Å; W73-R101 HydrophobicContact CE3-CG 3.97Å; W73-R101 HydrophobicContact CH2-CG 4.17Å; W73-R101 HydrophobicContact CZ3-CB 4.42Å; W73-R101 HydrophobicContact CZ3-CG 3.63Å
74T97Very high93.1Very high60 Ų6087.5 Ų87.537%0.36845%0.448SS..EExtended strand (participates in β ladder)trans-108.5124173.7-58.90000108.5Q59 Y60Q59-T74 CarbonylContact C-O 3.56Å; Q59-T74 WeakPolarHBondContact CA-O 2.81Å; Y60-T74 HydrophobicContact CD1-CG2 4.37Å; Y60-T74 WeakPolarHBondContact CD1-O 3.09Å; Y60-T74 VanDerWaalsContact CE1-CB 3.46Å; Y60-T74 HydrophobicContact CE1-CG2 3.53Å; Y60-T74 PolarHBondContact N-O 2.87Å; Y60-T74 PolarHBondContact O-N 2.88Å
75T97.6Very high93.5Very high66 Ų6681.7 Ų81.741%0.40542%0.421SS..EExtended strand (participates in β ladder)trans-77.5129.9173.1-55.10000109.9T57 Q59 A78T57-T75 HydrophobicContact CG2-CG2 4.12Å; Q59-T75 PolarHBondContact NE2-OG1 3.45Å; T75-A78 HydrophobicContact CG2-CB 4.12Å
76V96.9Very high93.9Very high42 Ų4283.7 Ų83.726%0.25543%0.433SS..EExtended strand (participates in β ladder)trans-101.6-54.6176.7-172.80000110V58 Y60 D86 L87V58-V76 PolarHBondContact O-N 2.99Å; Y60-V76 HydrophobicContact CD1-CG2 3.36Å; Y60-V76 HydrophobicContact CE1-CG2 3.65Å; V76-D86 VanDerWaalsContact CG1-O 3.3Å; V76-D86 WeakPolarHBondContact CG1-O 3.46Å; V76-L87 HydrophobicContact CG1-CG 4.23Å; V76-L87 HydrophobicContact CG2-CD2 4.27Å; V76-L87 HydrophobicContact CG2-CG 4.28Å
77C97.1Very high94.2Very high26 Ų2681.4 Ų81.418%0.17642%0.421CS..EExtended strand (participates in β ladder)trans-115.4125.9174.7-58.70000108.7T57 V58 T80 C85T57-C77 WeakPolarHBondContact CA-O 3.01Å; V58-C77 HydrophobicContact CB-CB 4.27Å; V58-C77 HydrophobicContact CG2-CB 4.47Å; V58-C77 PolarHBondContact N-O 2.95Å; C77-T80 HydrophobicContact CB-CG2 4.18Å; C77-C85 HydrophobicContact CB-CB 3.89Å; C77-C85 WeakPolarHBondContact CB-SG 3.09Å; C77-C85 VanDerWaalsContact SG-CA 3.55Å; C77-C85 WeakPolarHBondContact SG-CB 3.49Å; C77-C85 CovalentContact SG-SG 2.04Å; C77-C85 PolarHBondContact SG-SG 3.49Å
78A95.5Very high94.6Very high75 Ų7574 Ų7462%0.6239%0.391SS*.EExtended strand (participates in β ladder)trans-107.5123.4173.300000108.5T75 T80T75-A78 HydrophobicContact CG2-CB 4.12Å; A78-T80 VanDerWaalsContact C-N 3.32Å; A78-T80 PolarHBondContact O-N 3.28Å
79E92.7Very high94.8Very high131 Ų13179.9 Ų79.961%0.61241%0.41SS*.EExtended strand (participates in β ladder)trans52.143.7173.6-57.2-177.2170.300114.5T55 F56T55-E79 HydrophobicContact CG2-CB 4.48Å; F56-E79 CarbonylContact O-C 3.51Å; F56-E79 VanDerWaalsContact O-CA 3.31Å; F56-E79 WeakPolarHBondContact O-CA 3.37Å; F56-E79 PolarHBondContact O-N 2.96Å
80T93.7Very high95Very high37 Ų3769.4 Ų69.423%0.22737%0.374CS..EExtended strand (participates in β ladder)trans-72.3137.6173.7-175.60000110.6W42 T55 F56 C77 A78 G82W42-T80 HydrophobicContact CH2-CG2 4.16Å; W42-T80 HydrophobicContact CZ2-CG2 4.22Å; T55-T80 CarbonylContact C-O 3.53Å; T55-T80 VanDerWaalsContact CA-O 3.29Å; T55-T80 WeakPolarHBondContact CA-O 3.5Å; F56-T80 HydrophobicContact CB-CG2 4.03Å; F56-T80 WeakPolarHBondContact CD2-O 3.46Å; F56-T80 PolarHBondContact N-O 2.95Å; F56-T80 PolarHBondContact O-N 2.83Å; C77-T80 HydrophobicContact CB-CG2 4.18Å; A78-T80 VanDerWaalsContact C-N 3.32Å; A78-T80 PolarHBondContact O-N 3.28Å; T80-G82 PolarHBondContact OG1-N 3.26Å
81S91.8Very high95.1Very high87 Ų8766.4 Ų66.461%0.60838%0.375SS*.SBendtrans-80-21.4172.355.30000112.5
82G92.2Very high95.2Very high28 Ų2865 Ų6529%0.28937%0.365SS..SBendtrans-73154.8178.400000112.4W42 F56 T80 S84W42-G82 VanDerWaalsContact CZ2-O 3.25Å; W42-G82 WeakPolarHBondContact CZ2-O 3.34Å; F56-G82 WeakPolarHBondContact CD2-O 3.42Å; T80-G82 PolarHBondContact OG1-N 3.26Å; G82-S84 PolarHBondContact O-N 3.45Å
83R95.3Very high95.2Very high91 Ų9162.5 Ų62.534%0.34336%0.358SS..SBendtrans-86.326.5172.7-70.3178.7175.974.55.2112.6T41 W42 W44 Q46 F56T41-R83 WeakPolarHBondContact CA-O 3.48Å; W42-R83 PolarHBondContact N-O 2.86Å; W42-R83 WeakPolarHBondContact O-CB 3.45Å; W44-R83 PolarHBondContact O-NE 3.06Å; W44-R83 PolarHBondContact O-NH2 3.3Å; Q46-R83 VanDerWaalsContact OE1-NH2 3.08Å; F56-R83 HydrophobicContact CE2-CG 4.36Å
84S97.4Very high95.1Very high55 Ų5560.3 Ų60.339%0.38535%0.35SS..EExtended strand (participates in β ladder)trans-148.2155.2179.166.70000111.6L40 G82L40-S84 CarbonylContact O-C 3.53Å; L40-S84 WeakPolarHBondContact O-CA 3.11Å; G82-S84 PolarHBondContact O-N 3.45Å
85C98.1Very high95Very high3 Ų363.2 Ų63.22%0.0236%0.363CS..EExtended strand (participates in β ladder)trans-142.8131.3175.6175.90000109.4T39 L40 W42 V58 C77 L87T39-C85 CarbonylContact C-O 3.53Å; T39-C85 WeakPolarHBondContact CA-O 3.29Å; L40-C85 PolarHBondContact N-O 3.4Å; L40-C85 PolarHBondContact O-N 3.21Å; W42-C85 HydrophobicContact CH2-CB 3.93Å; W42-C85 HydrophobicContact CZ3-CB 3.91Å; V58-C85 HydrophobicContact CB-CB 4.08Å; V58-C85 HydrophobicContact CG1-CB 4.28Å; V58-C85 HydrophobicContact CG2-CB 3.65Å; C77-C85 HydrophobicContact CB-CB 3.89Å; C77-C85 WeakPolarHBondContact CB-SG 3.09Å; C77-C85 VanDerWaalsContact SG-CA 3.55Å; C77-C85 WeakPolarHBondContact SG-CB 3.49Å; C77-C85 CovalentContact SG-SG 2.04Å; C77-C85 PolarHBondContact SG-SG 3.49Å; C85-L87 VanDerWaalsContact O-CD1 3.32Å; C85-L87 WeakPolarHBondContact O-CD1 3.41Å
86D97.6Very high94.8Very high86 Ų8660.7 Ų60.746%0.4635%0.35SS..EExtended strand (participates in β ladder)trans-87.8117.6177.3-178.19.9000110.6Y38 V76 T88Y38-D86 VanDerWaalsContact O-OD1 3.1Å; V76-D86 VanDerWaalsContact CG1-O 3.3Å; V76-D86 WeakPolarHBondContact CG1-O 3.46Å; D86-T88 WeakPolarHBondContact OD1-CB 3.42Å; D86-T88 PolarHBondContact OD1-N 3.3Å; D86-T88 PolarHBondContact OD1-OG1 3.47Å
87L97.6Very high94.8Very high0 Ų062 Ų620%036%0.356CS..  trans-99.6-1.7178-67.289.9000112.7M31 Y38 L40 V76 C85 R89 S90 V100M31-L87 HydrophobicContact CE-CD1 4.44Å; Y38-L87 PolarHBondContact O-N 3.42Å; L40-L87 HydrophobicContact CB-CD1 3.63Å; V76-L87 HydrophobicContact CG1-CG 4.23Å; V76-L87 HydrophobicContact CG2-CD2 4.27Å; V76-L87 HydrophobicContact CG2-CG 4.28Å; C85-L87 VanDerWaalsContact O-CD1 3.32Å; C85-L87 WeakPolarHBondContact O-CD1 3.41Å; L87-R89 VanDerWaalsContact C-N 3.27Å; L87-R89 PolarHBondContact O-N 3.01Å; L87-R89 VanDerWaalsContact O-N 3.16Å; L87-S90 WeakPolarHBondContact CA-OG 3.44Å; L87-S90 WeakPolarHBondContact O-CB 3.49Å; L87-S90 PolarHBondContact O-N 3.32Å; L87-S90 PolarHBondContact O-OG 3.49Å; L87-V100 HydrophobicContact CD2-CG1 3.85Å; L87-V100 HydrophobicContact CD2-CG2 3.98Å
88T95.9Very high94.8Very high20 Ų2062 Ų6212%0.12335%0.352CS..G310 helixtrans-50.9-43.7-173.7-58.80000112.8N37 Y38 D86 S90N37-T88 WeakPolarHBondContact CA-OG1 3.26Å; N37-T88 VanDerWaalsContact OD1-CG2 3.29Å; N37-T88 WeakPolarHBondContact OD1-CG2 3.4Å; Y38-T88 PolarHBondContact N-OG1 3.36Å; Y38-T88 PolarHBondContact O-N 3.17Å; D86-T88 WeakPolarHBondContact OD1-CB 3.42Å; D86-T88 PolarHBondContact OD1-N 3.3Å; D86-T88 PolarHBondContact OD1-OG1 3.47Å; T88-S90 VanDerWaalsContact C-N 3.31Å; T88-S90 PolarHBondContact O-N 2.75Å
89R94.7Very high94.9Very high236 Ų23659.2 Ų59.289%0.89133%0.327SS*.G310 helixtrans-88.18.8-177.9-62.1-174.7180-175.40.7114.3L87 G91L87-R89 VanDerWaalsContact C-N 3.27Å; L87-R89 PolarHBondContact O-N 3.01Å; L87-R89 VanDerWaalsContact O-N 3.16Å; R89-G91 PolarHBondContact O-N 3.42Å
90S92.9Very high95.2Very high24 Ų2453 Ų5317%0.16830%0.298CS..G310 helixtrans-76.9-1.1-179.3-50.10000113.6Y60 L87 T88 L92Y60-S90 PolarHBondContact OH-O 3.36Å; L87-S90 WeakPolarHBondContact CA-OG 3.44Å; L87-S90 WeakPolarHBondContact O-CB 3.49Å; L87-S90 PolarHBondContact O-N 3.32Å; L87-S90 PolarHBondContact O-OG 3.49Å; T88-S90 VanDerWaalsContact C-N 3.31Å; T88-S90 PolarHBondContact O-N 2.75Å; S90-L92 VanDerWaalsContact C-N 3.33Å; S90-L92 PolarHBondContact O-N 3.39Å
91G90.8Very high95.3Very high72 Ų7253.4 Ų53.474%0.74230%0.295SS*.  trans64.235.7179.500000113.1R89 N93R89-G91 PolarHBondContact O-N 3.42Å; G91-N93 PolarHBondContact O-N 2.04Å
92L94.3Very high95.7Very high19 Ų1949.2 Ų49.210%0.09927%0.266CS..  trans-67129.3175.5-54.7-174.2000109.4Y38 Y60 S90 Y98 F118Y38-L92 HydrophobicContact CD2-CD1 4.01Å; Y38-L92 HydrophobicContact CE2-CB 4.23Å; Y38-L92 HydrophobicContact CE2-CD1 4.34Å; Y60-L92 HydrophobicContact CD2-CD2 3.48Å; Y60-L92 VanDerWaalsContact CD2-CD2 3.48Å; Y60-L92 HydrophobicContact CE1-CD2 4.47Å; Y60-L92 HydrophobicContact CE2-CD2 3.19Å; Y60-L92 HydrophobicContact CG-CD2 4.24Å; S90-L92 VanDerWaalsContact C-N 3.33Å; S90-L92 PolarHBondContact O-N 3.39Å; L92-Y98 HydrophobicContact CB-CE2 3.91Å; L92-Y98 HydrophobicContact CD1-CD2 4.46Å; L92-Y98 HydrophobicContact CD2-CD1 4.03Å; L92-Y98 HydrophobicContact CD2-CD2 4.5Å; L92-Y98 HydrophobicContact CD2-CE1 3.82Å; L92-Y98 HydrophobicContact CD2-CE2 4.31Å; L92-Y98 HydrophobicContact CD2-CG 4.37Å; L92-F118 HydrophobicContact CD1-CD1 4.31Å; L92-F118 HydrophobicContact CD1-CE1 4.18Å
93N94Very high95.9Very high98 Ų9848.8 Ų48.852%0.52426%0.257SS..  trans-70134.2172.2-173.8-46.2000108.9G91 L95 G96 Y98G91-N93 PolarHBondContact O-N 2.04Å; N93-L95 VanDerWaalsContact C-N 3.3Å; N93-L95 PolarHBondContact O-N 2.84Å; N93-L95 PolarHBondContact OD1-N 3.31Å; N93-G96 PolarHBondContact O-N 2.95Å; N93-Y98 WeakPolarHBondContact CB-OH 3.4Å; N93-Y98 PolarHBondContact N-OH 3.3Å; N93-Y98 WeakPolarHBondContact O-CE2 3.31Å
94Y94.6Very high95.9Very high11 Ų1144.5 Ų44.54%0.04324%0.241CC..THydrogen-bonded Turntrans-59.2-39.1-177-166.2-103.6000112.9T36 G96 P120 D121 M156 Q159 L160T36-Y94 HydrophobicContact CG2-CD2 4.2Å; Y94-G96 VanDerWaalsContact C-N 3.26Å; Y94-G96 PolarHBondContact O-N 3.22Å; Y94-P120 HydrophobicContact CD2-CB 3.78Å; Y94-P120 HydrophobicContact CE2-CB 4.1Å; Y94-P120 HydrophobicContact CG-CB 4.37Å; Y94-P120 WeakPolarHBondContact O-CB 3.43Å; Y94-P120 WeakPolarHBondContact O-CD 3.39Å; Y94-D121 HydrophobicContact CD1-CB 3.91Å; Y94-D121 VanDerWaalsContact CE1-CA 3.48Å; Y94-D121 HydrophobicContact CE1-CB 3.82Å; Y94-D121 WeakPolarHBondContact O-CB 3.2Å; Y94-D121 PolarHBondContact O-N 2.75Å; Y94-M156 HydrophobicContact CE2-CE 3.88Å; Y94-Q159 HydrophobicContact CD1-CB 3.93Å; Y94-Q159 VanDerWaalsContact CD1-O 3.22Å; Y94-Q159 WeakPolarHBondContact CD1-O 3.35Å; Y94-Q159 HydrophobicContact CD2-CB 4.4Å; Y94-Q159 HydrophobicContact CE1-CB 4.29Å; Y94-Q159 WeakPolarHBondContact CE1-O 3.3Å; Y94-Q159 HydrophobicContact CG-CB 3.99Å; Y94-L160 HydrophobicContact CE1-CD2 4.03Å; Y94-L160 VanDerWaalsContact OH-CD2 3.25Å; Y94-L160 WeakPolarHBondContact OH-CD2 3.2Å
95L93.7Very high95.7Very high120 Ų12042.2 Ų42.263%0.62822%0.224SC*.THydrogen-bonded Turntrans-85.96177.9-55.1179.9000113.1N93 D121N93-L95 VanDerWaalsContact C-N 3.3Å; N93-L95 PolarHBondContact O-N 2.84Å; N93-L95 PolarHBondContact OD1-N 3.31Å; L95-D121 HydrophobicContact CD2-CB 3.97Å
96G94.6Very high95.4Very high14 Ų1443.2 Ų43.214%0.14423%0.229CC..  trans-82.8146.6-177.100000112.8N93 Y94 Y98 P120N93-G96 PolarHBondContact O-N 2.95Å; Y94-G96 VanDerWaalsContact C-N 3.26Å; Y94-G96 PolarHBondContact O-N 3.22Å; G96-Y98 WeakPolarHBondContact O-CE2 3.18Å; G96-P120 WeakPolarHBondContact O-CD 3.33Å
97L96.6Very high94.9Very high70 Ų7044.9 Ų44.937%0.36624%0.238SC..  trans-104.2124.2169.5-179.960.4000110.1N63 C119N63-L97 HydrophobicContact CB-CB 4.25Å; N63-L97 HydrophobicContact CB-CD2 4.19Å; N63-L97 HydrophobicContact CB-CG 4.04Å; N63-L97 WeakPolarHBondContact CB-O 3.49Å; N63-L97 PolarHBondContact N-O 2.91Å; N63-L97 VanDerWaalsContact ND2-CD2 3.31Å; N63-L97 WeakPolarHBondContact ND2-CD2 3.4Å; L97-C119 HydrophobicContact CD1-CB 4.01Å
98Y97.4Very high94.2Very high25 Ų2548.3 Ų48.310%0.09827%0.273CS..EExtended strand (participates in β ladder)trans-122.4154.3-174.4-59.3-81.4000111.8Y60 A61 L92 N93 G96 Q117 F118Y60-Y98 AromaticContact CD2-CD1 3.91Å; Y60-Y98 HydrophobicContact CD2-CD1 3.91Å; Y60-Y98 HydrophobicContact CD2-CE1 4.37Å; Y60-Y98 HydrophobicContact CE2-CD1 4.36Å; Y60-Y98 HydrophobicContact CE2-CE1 4.36Å; A61-Y98 WeakPolarHBondContact O-CA 3.35Å; L92-Y98 HydrophobicContact CB-CE2 3.91Å; L92-Y98 HydrophobicContact CD1-CD2 4.46Å; L92-Y98 HydrophobicContact CD2-CD1 4.03Å; L92-Y98 HydrophobicContact CD2-CD2 4.5Å; L92-Y98 HydrophobicContact CD2-CE1 3.82Å; L92-Y98 HydrophobicContact CD2-CE2 4.31Å; L92-Y98 HydrophobicContact CD2-CG 4.37Å; N93-Y98 WeakPolarHBondContact CB-OH 3.4Å; N93-Y98 PolarHBondContact N-OH 3.3Å; N93-Y98 WeakPolarHBondContact O-CE2 3.31Å; G96-Y98 WeakPolarHBondContact O-CE2 3.18Å; Y98-Q117 WeakPolarHBondContact O-CA 3.32Å; Y98-F118 PolarHBondContact N-O 2.9Å; Y98-F118 PolarHBondContact O-N 3.03Å
99T97.4Very high93.9Very high16 Ų1651 Ų5110%0.09829%0.293CS..EExtended strand (participates in β ladder)trans-113123.2160.5-60.60000107.6Y60 A61 L66 W73 I116Y60-T99 CarbonylContact C-O 3.59Å; Y60-T99 VanDerWaalsContact CA-O 3.28Å; Y60-T99 WeakPolarHBondContact CA-O 2.92Å; A61-T99 PolarHBondContact N-O 2.92Å; A61-T99 PolarHBondContact O-N 2.6Å; L66-T99 HydrophobicContact CD1-CG2 4.47Å; L66-T99 WeakPolarHBondContact CD1-OG1 3.42Å; W73-T99 HydrophobicContact CH2-CG2 3.99Å; W73-T99 HydrophobicContact CZ3-CG2 4.41Å; T99-I116 WeakPolarHBondContact CA-O 3.23Å
100V97.9Very high93.9Very high0 Ų044.7 Ų44.70%027%0.273CS..EExtended strand (participates in β ladder)trans-105138.2174.4-171.20000107.3L40 V58 Q59 L87 S115 I116 F118L40-V100 HydrophobicContact CD1-CG1 4.46Å; L40-V100 HydrophobicContact CD2-CG1 3.8Å; V58-V100 HydrophobicContact CG1-CG1 3.92Å; Q59-V100 CarbonylContact O-C 3.58Å; Q59-V100 WeakPolarHBondContact O-CA 3.33Å; L87-V100 HydrophobicContact CD2-CG1 3.85Å; L87-V100 HydrophobicContact CD2-CG2 3.98Å; V100-S115 CarbonylContact O-C 3.56Å; V100-S115 WeakPolarHBondContact O-CA 3.37Å; V100-S115 WeakPolarHBondContact O-CB 3.22Å; V100-I116 HydrophobicContact CB-CG2 4.11Å; V100-I116 PolarHBondContact N-O 2.82Å; V100-I116 PolarHBondContact O-N 2.98Å; V100-F118 HydrophobicContact CG2-CB 4.38Å
101R97.5Very high94Very high46 Ų4644 Ų4417%0.17427%0.268CS..EExtended strand (participates in β ladder)trans-136.2147.3179.664.7176.6-169.9-1780.9111.8V58 Q59 W73 W113 K114V58-R101 WeakPolarHBondContact CA-O 3.46Å; Q59-R101 HydrophobicContact CB-CG 4.01Å; Q59-R101 PolarHBondContact N-O 2.91Å; Q59-R101 PolarHBondContact O-N 3.28Å; Q59-R101 VanDerWaalsContact OE1-NE 3.14Å; W73-R101 VanDerWaalsContact CD2-CZ 3.46Å; W73-R101 VanDerWaalsContact CE2-CZ 3.41Å; W73-R101 HydrophobicContact CE3-CG 3.97Å; W73-R101 HydrophobicContact CH2-CG 4.17Å; W73-R101 HydrophobicContact CZ3-CB 4.42Å; W73-R101 HydrophobicContact CZ3-CG 3.63Å; R101-W113 HydrophobicContact CB-CB 4.44Å; R101-W113 HydrophobicContact CB-CD2 4.42Å; R101-W113 HydrophobicContact CB-CE3 3.76Å; R101-W113 HydrophobicContact CB-CZ3 4.43Å; R101-W113 VanDerWaalsContact CD-CD2 3.48Å; R101-W113 VanDerWaalsContact CD-CE3 3.49Å; R101-W113 HydrophobicContact CG-CD2 3.95Å; R101-W113 HydrophobicContact CG-CE3 3.37Å; R101-W113 HydrophobicContact CG-CZ3 3.74Å; R101-K114 CarbonylContact C-O 3.55Å; R101-K114 WeakPolarHBondContact CA-O 3.31Å; R101-K114 WeakPolarHBondContact CB-O 3.35Å
102V98.3Very high94.2Very high0 Ų046.1 Ų46.10%027%0.266CS..EExtended strand (participates in β ladder)trans-130.3145.1175.762.40000109.8P26 L29 L40 W42 F56 T57 V58 W113 K114P26-V102 HydrophobicContact CB-CG1 3.76Å; P26-V102 HydrophobicContact CG-CG1 3.87Å; P26-V102 HydrophobicContact CG-CG2 4.07Å; L29-V102 HydrophobicContact CD1-CG1 3.92Å; L29-V102 HydrophobicContact CD2-CG1 3.89Å; L29-V102 HydrophobicContact CG-CG1 3.95Å; L40-V102 HydrophobicContact CD2-CB 4.25Å; L40-V102 HydrophobicContact CD2-CG1 4.48Å; W42-V102 HydrophobicContact CD2-CG1 4.42Å; W42-V102 HydrophobicContact CD2-CG2 4.07Å; W42-V102 HydrophobicContact CE3-CG2 4.27Å; W42-V102 HydrophobicContact CG-CG1 4.46Å; W42-V102 HydrophobicContact CH2-CG2 4.27Å; W42-V102 HydrophobicContact CZ2-CG2 4.06Å; W42-V102 HydrophobicContact CZ3-CG2 4.37Å; F56-V102 HydrophobicContact CB-CG2 4.08Å; F56-V102 HydrophobicContact CD1-CG2 4.48Å; T57-V102 WeakPolarHBondContact O-CA 3.19Å; V58-V102 HydrophobicContact CG2-CB 4.06Å; V58-V102 HydrophobicContact CG2-CG2 3.75Å; V102-W113 VanDerWaalsContact C-CE3 3.45Å; V102-K114 PolarHBondContact N-O 2.83Å; V102-K114 PolarHBondContact O-N 2.88Å
103Q96.4Very high94.3Very high19 Ų1948.6 Ų48.69%0.08928%0.275CS..EExtended strand (participates in β ladder)trans-132.3155.8169.768.4174.733.400109F56 T57 N105 H110 W113F56-Q103 WeakPolarHBondContact CA-O 3.36Å; T57-Q103 PolarHBondContact N-O 3.23Å; T57-Q103 PolarHBondContact O-N 3.2Å; T57-Q103 VanDerWaalsContact O-N 3.11Å; Q103-N105 PolarHBondContact NE2-OD1 3.49Å; Q103-H110 VanDerWaalsContact NE2-CG 3.35Å; Q103-H110 PolarHBondContact NE2-ND1 2.65Å; Q103-W113 HydrophobicContact CB-CD2 3.93Å; Q103-W113 HydrophobicContact CB-CE3 3.73Å; Q103-W113 HydrophobicContact CB-CH2 4.36Å; Q103-W113 HydrophobicContact CB-CZ3 3.97Å; Q103-W113 HydrophobicContact CG-CD2 4.19Å; Q103-W113 HydrophobicContact CG-CE3 3.94Å; Q103-W113 HydrophobicContact CG-CH2 3.63Å; Q103-W113 HydrophobicContact CG-CZ2 3.89Å; Q103-W113 HydrophobicContact CG-CZ3 3.67Å; Q103-W113 VanDerWaalsContact OE1-NE1 3.11Å
104T95.5Very high94.5Very high0 Ų048.7 Ų48.70%027%0.27CS..EExtended strand (participates in β ladder)trans-88.2142.7169.8-48.30000109.1L23 T24 P26 W44 A54 T55 F56 H110 S111L23-T104 HydrophobicContact CD2-CG2 3.87Å; L23-T104 WeakPolarHBondContact CD2-O 3.2Å; L23-T104 HydrophobicContact CG-CG2 4.27Å; T24-T104 PolarHBondContact O-OG1 3.22Å; P26-T104 WeakPolarHBondContact CD-OG1 3.41Å; P26-T104 WeakPolarHBondContact CG-OG1 3.49Å; W44-T104 HydrophobicContact CD2-CG2 4.31Å; W44-T104 HydrophobicContact CH2-CG2 4.39Å; W44-T104 HydrophobicContact CZ2-CG2 3.79Å; W44-T104 PolarHBondContact NE1-OG1 2.79Å; A54-T104 HydrophobicContact CB-CG2 3.79Å; T55-T104 CarbonylContact O-C 3.48Å; F56-T104 HydrophobicContact CD1-CG2 4.18Å; F56-T104 HydrophobicContact CE1-CG2 3.79Å; F56-T104 WeakPolarHBondContact CE1-OG1 3.42Å; F56-T104 HydrophobicContact CZ-CG2 4.43Å; T104-H110 WeakPolarHBondContact O-CA 3.49Å; T104-S111 PolarHBondContact N-OG 3.04Å; T104-S111 PolarHBondContact O-N 3.2Å
105N93.9Very high94.6Very high7 Ų751.6 Ų51.64%0.03729%0.292CS..EExtended strand (participates in β ladder)trans-118.8132171.6-36-57.3000108.3T55 T57 Q103 S109 H110T55-N105 PolarHBondContact N-O 2.83Å; T55-N105 PolarHBondContact O-N 3.01Å; T55-N105 PolarHBondContact OG1-ND2 3.5Å; T57-N105 PolarHBondContact OG1-ND2 2.87Å; Q103-N105 PolarHBondContact NE2-OD1 3.49Å; N105-S109 WeakPolarHBondContact CA-O 3.43Å; N105-H110 PolarHBondContact OD1-CE1 2.81Å; N105-H110 PolarHBondContact OD1-ND1 2.82Å
106L91.8Very high94.8Very high25 Ų2548 Ų4813%0.13127%0.273CS..EExtended strand (participates in β ladder)trans-146.1121.5177.3-170.569.7000109L23 A49 D52 A54 G108 S109L23-L106 HydrophobicContact CD1-CB 3.88Å; L23-L106 HydrophobicContact CD1-CD2 3.73Å; L23-L106 HydrophobicContact CD1-CG 4.47Å; L23-L106 HydrophobicContact CD2-CB 3.71Å; L23-L106 HydrophobicContact CG-CB 4.48Å; A49-L106 HydrophobicContact CB-CD1 4.08Å; A49-L106 HydrophobicContact CB-CD2 4.3Å; D52-L106 HydrophobicContact CB-CD1 3.82Å; A54-L106 HydrophobicContact CB-CD1 4.2Å; L106-G108 PolarHBondContact O-N 3.35Å; L106-G108 VanDerWaalsContact O-N 3.1Å; L106-S109 PolarHBondContact N-O 2.77Å; L106-S109 WeakPolarHBondContact O-CA 3.39Å; L106-S109 WeakPolarHBondContact O-CB 3.41Å; L106-S109 PolarHBondContact O-N 3.07Å
107N86.4Confident94.9Very high121 Ų12153.4 Ų53.465%0.64730%0.295SS*.THydrogen-bonded Turntrans48.140.9176.3-60.4-24.6000114.5D52 S109D52-N107 PolarHBondContact OD2-ND2 3.04Å; N107-S109 VanDerWaalsContact C-N 3.25Å; N107-S109 PolarHBondContact O-N 2.87Å
108G84.5Confident95Very high71 Ų7150.2 Ų50.273%0.73228%0.278SS*.THydrogen-bonded Turntrans79.4-2.6-178.900000115.4L106L106-G108 PolarHBondContact O-N 3.35Å; L106-G108 VanDerWaalsContact O-N 3.1Å
109S89.7Confident94.9Very high76 Ų7649.9 Ų49.953%0.53128%0.279SS..EExtended strand (participates in β ladder)trans-94.9154.7170.5-64.40000111.1N105 L106 N107N105-S109 WeakPolarHBondContact CA-O 3.43Å; L106-S109 PolarHBondContact N-O 2.77Å; L106-S109 WeakPolarHBondContact O-CA 3.39Å; L106-S109 WeakPolarHBondContact O-CB 3.41Å; L106-S109 PolarHBondContact O-N 3.07Å; N107-S109 VanDerWaalsContact C-N 3.25Å; N107-S109 PolarHBondContact O-N 2.87Å
110H93.3Very high94.9Very high105 Ų10549.1 Ų49.149%0.48627%0.274SS..EExtended strand (participates in β ladder)trans-129.7143.2-177.5-57.9-68000111.7Q103 T104 N105Q103-H110 VanDerWaalsContact NE2-CG 3.35Å; Q103-H110 PolarHBondContact NE2-ND1 2.65Å; T104-H110 WeakPolarHBondContact O-CA 3.49Å; N105-H110 PolarHBondContact OD1-CE1 2.81Å; N105-H110 PolarHBondContact OD1-ND1 2.82Å
111S94.4Very high94.7Very high8 Ų849.9 Ų49.96%0.05628%0.278CS..PPolyproline II helixtrans-73.7169171.176.40000111.1L23 T104L23-S111 WeakPolarHBondContact O-CB 3.45Å; T104-S111 PolarHBondContact N-OG 3.04Å; T104-S111 PolarHBondContact O-N 3.2Å
112V95.6Very high94.6Very high117 Ų11753.5 Ų53.571%0.70930%0.295SS*.PPolyproline II helixtrans-61.6147.8162.8-176.70000109.4P25P25-V112 WeakPolarHBondContact CB-O 3.16Å
113W96.8Very high94.5Very high72 Ų7257 Ų5727%0.27331%0.314SS..PPolyproline II helixtrans-68.8130.8174.4-69.796000111.4T57 Q59 R101 V102 Q103T57-W113 HydrophobicContact CG2-CH2 4.06Å; T57-W113 VanDerWaalsContact O-CZ3 3.3Å; T57-W113 WeakPolarHBondContact O-CZ3 3.37Å; Q59-W113 HydrophobicContact CB-CH2 4.4Å; Q59-W113 HydrophobicContact CB-CZ3 4.46Å; Q59-W113 HydrophobicContact CG-CH2 3.79Å; Q59-W113 HydrophobicContact CG-CZ3 4.28Å; R101-W113 HydrophobicContact CB-CB 4.44Å; R101-W113 HydrophobicContact CB-CD2 4.42Å; R101-W113 HydrophobicContact CB-CE3 3.76Å; R101-W113 HydrophobicContact CB-CZ3 4.43Å; R101-W113 VanDerWaalsContact CD-CD2 3.48Å; R101-W113 VanDerWaalsContact CD-CE3 3.49Å; R101-W113 HydrophobicContact CG-CD2 3.95Å; R101-W113 HydrophobicContact CG-CE3 3.37Å; R101-W113 HydrophobicContact CG-CZ3 3.74Å; V102-W113 VanDerWaalsContact C-CE3 3.45Å; Q103-W113 HydrophobicContact CB-CD2 3.93Å; Q103-W113 HydrophobicContact CB-CE3 3.73Å; Q103-W113 HydrophobicContact CB-CH2 4.36Å; Q103-W113 HydrophobicContact CB-CZ3 3.97Å; Q103-W113 HydrophobicContact CG-CD2 4.19Å; Q103-W113 HydrophobicContact CG-CE3 3.94Å; Q103-W113 HydrophobicContact CG-CH2 3.63Å; Q103-W113 HydrophobicContact CG-CZ2 3.89Å; Q103-W113 HydrophobicContact CG-CZ3 3.67Å; Q103-W113 VanDerWaalsContact OE1-NE1 3.11Å
114K97.6Very high94.5Very high99 Ų9956.1 Ų56.143%0.4331%0.31SS..EExtended strand (participates in β ladder)trans-99.6136.7163.3-171.170.3172.2-1700109.1P26 L29 R101 V102P26-K114 WeakPolarHBondContact O-CB 3.42Å; P26-K114 VanDerWaalsContact O-CG 3.28Å; P26-K114 WeakPolarHBondContact O-CG 3.43Å; L29-K114 HydrophobicContact CD1-CB 4.04Å; L29-K114 HydrophobicContact CD1-CG 3.45Å; L29-K114 VanDerWaalsContact CD1-CG 3.45Å; L29-K114 HydrophobicContact CD2-CB 4.22Å; L29-K114 HydrophobicContact CD2-CG 3.82Å; L29-K114 HydrophobicContact CG-CG 4.26Å; R101-K114 CarbonylContact C-O 3.55Å; R101-K114 WeakPolarHBondContact CA-O 3.31Å; R101-K114 WeakPolarHBondContact CB-O 3.35Å; V102-K114 PolarHBondContact N-O 2.83Å; V102-K114 PolarHBondContact O-N 2.88Å
115S97.3Very high94.5Very high72 Ų7258.4 Ų58.450%0.50333%0.329SS..EExtended strand (participates in β ladder)trans-129.3155.5-175.6580000113.6V100V100-S115 CarbonylContact O-C 3.56Å; V100-S115 WeakPolarHBondContact O-CA 3.37Å; V100-S115 WeakPolarHBondContact O-CB 3.22Å
116I97.6Very high94.6Very high45 Ų4558.3 Ų58.323%0.23133%0.328CS..EExtended strand (participates in β ladder)trans-135.6145.3173.2-171166.4000109.3L29 L40 T99 V100L29-I116 HydrophobicContact CB-CB 4.35Å; L29-I116 HydrophobicContact CB-CD1 4.47Å; L29-I116 HydrophobicContact CB-CG2 4.45Å; L29-I116 HydrophobicContact CD2-CB 4.25Å; L29-I116 HydrophobicContact CD2-CG2 4.19Å; L40-I116 HydrophobicContact CD1-CG2 3.95Å; T99-I116 WeakPolarHBondContact CA-O 3.23Å; V100-I116 HydrophobicContact CB-CG2 4.11Å; V100-I116 PolarHBondContact N-O 2.82Å; V100-I116 PolarHBondContact O-N 2.98Å
117Q97.3Very high94.9Very high128 Ų12857.2 Ų57.260%0.59832%0.323SS*.EExtended strand (participates in β ladder)trans-87.5140.9170.1-70.6-170.6-1500109.9Y98Y98-Q117 WeakPolarHBondContact O-CA 3.32Å
118F97.6Very high95.4Very high2 Ų253.3 Ų53.31%0.00930%0.304CS..EExtended strand (participates in β ladder)trans-141.7124.8-178.2178.4-123.2000110.7M31 T33 Y38 L92 Y98 V100 P120 D123M31-F118 HydrophobicContact CB-CD2 4.24Å; M31-F118 HydrophobicContact CB-CE2 4.38Å; M31-F118 HydrophobicContact CE-CD1 3.95Å; M31-F118 HydrophobicContact CE-CD2 4.35Å; M31-F118 HydrophobicContact CE-CE1 3.91Å; M31-F118 HydrophobicContact CE-CE2 4.34Å; M31-F118 HydrophobicContact CE-CG 4.18Å; M31-F118 HydrophobicContact CE-CZ 4.12Å; M31-F118 HydrophobicContact CG-CB 4.43Å; M31-F118 HydrophobicContact CG-CD2 3.99Å; M31-F118 HydrophobicContact CG-CG 4.19Å; T33-F118 HydrophobicContact CG2-CE2 3.77Å; T33-F118 HydrophobicContact CG2-CZ 3.87Å; Y38-F118 HydrophobicContact CD1-CE1 4.03Å; Y38-F118 AromaticContact CD1-CZ 3.59Å; Y38-F118 HydrophobicContact CD1-CZ 3.59Å; Y38-F118 HydrophobicContact CD2-CE1 4.09Å; Y38-F118 HydrophobicContact CD2-CZ 4.48Å; Y38-F118 HydrophobicContact CE1-CE1 4.33Å; Y38-F118 AromaticContact CE1-CZ 3.85Å; Y38-F118 HydrophobicContact CE1-CZ 3.85Å; Y38-F118 HydrophobicContact CE2-CE1 4.39Å; Y38-F118 AromaticContact CG-CE1 3.9Å; Y38-F118 HydrophobicContact CG-CE1 3.9Å; Y38-F118 AromaticContact CG-CZ 3.94Å; Y38-F118 HydrophobicContact CG-CZ 3.94Å; L92-F118 HydrophobicContact CD1-CD1 4.31Å; L92-F118 HydrophobicContact CD1-CE1 4.18Å; Y98-F118 PolarHBondContact N-O 2.9Å; Y98-F118 PolarHBondContact O-N 3.03Å; V100-F118 HydrophobicContact CG2-CB 4.38Å; F118-P120 HydrophobicContact CD1-CG 4.35Å; F118-P120 HydrophobicContact CE1-CB 4.37Å; F118-P120 HydrophobicContact CE1-CG 3.7Å; F118-P120 HydrophobicContact CZ-CB 4.11Å; F118-P120 HydrophobicContact CZ-CG 3.94Å; F118-D123 HydrophobicContact CD2-CB 3.94Å; F118-D123 HydrophobicContact CE2-CB 3.94Å
119C96.5Very high96Very high18 Ų1850.2 Ų50.212%0.12227%0.271CS..  trans-123.3107.9172.2-179.90000107.8L97 D121 K122 D123L97-C119 HydrophobicContact CD1-CB 4.01Å; C119-D121 VanDerWaalsContact C-N 3.31Å; C119-D121 PolarHBondContact O-N 2.67Å; C119-K122 HydrophobicContact CB-CB 4.03Å; C119-K122 PolarHBondContact O-N 2.92Å; C119-D123 PolarHBondContact N-OD2 2.87Å; C119-D123 WeakPolarHBondContact O-CB 3.28Å; C119-D123 PolarHBondContact O-N 3.24Å
120P96.2Very high96.4Very high0 Ų049.2 Ų49.20%026%0.264CS..Hα-helixtrans-56.4-44.1-175.5-23.130.7000113.2Y38 Y94 G96 F118 K122 D123 A124Y38-P120 HydrophobicContact CE1-CB 4.1Å; Y38-P120 HydrophobicContact CE2-CG 4.33Å; Y38-P120 WeakPolarHBondContact OH-CB 3.41Å; Y94-P120 HydrophobicContact CD2-CB 3.78Å; Y94-P120 HydrophobicContact CE2-CB 4.1Å; Y94-P120 HydrophobicContact CG-CB 4.37Å; Y94-P120 WeakPolarHBondContact O-CB 3.43Å; Y94-P120 WeakPolarHBondContact O-CD 3.39Å; G96-P120 WeakPolarHBondContact O-CD 3.33Å; F118-P120 HydrophobicContact CD1-CG 4.35Å; F118-P120 HydrophobicContact CE1-CB 4.37Å; F118-P120 HydrophobicContact CE1-CG 3.7Å; F118-P120 HydrophobicContact CZ-CB 4.11Å; F118-P120 HydrophobicContact CZ-CG 3.94Å; P120-K122 PolarHBondContact O-N 2.79Å; P120-D123 PolarHBondContact O-N 2.78Å; P120-A124 HydrophobicContact CB-CB 4.48Å; P120-A124 WeakPolarHBondContact O-CA 3.29Å; P120-A124 WeakPolarHBondContact O-CB 3.41Å; P120-A124 PolarHBondContact O-N 2.8Å
121D94.9Very high96.5Very high16 Ų1648.6 Ų48.69%0.08626%0.26CS..Hα-helixtrans-54.5-40176.7-177.730.2000112.8Y94 L95 C119 Y213 K215Y94-D121 HydrophobicContact CD1-CB 3.91Å; Y94-D121 VanDerWaalsContact CE1-CA 3.48Å; Y94-D121 HydrophobicContact CE1-CB 3.82Å; Y94-D121 WeakPolarHBondContact O-CB 3.2Å; Y94-D121 PolarHBondContact O-N 2.75Å; L95-D121 HydrophobicContact CD2-CB 3.97Å; C119-D121 VanDerWaalsContact C-N 3.31Å; C119-D121 PolarHBondContact O-N 2.67Å; D121-Y213 HydrophobicContact CB-CE2 4.34Å; D121-Y213 WeakPolarHBondContact O-CD2 3.06Å; D121-Y213 WeakPolarHBondContact O-CE2 3.38Å; D121-Y213 WeakPolarHBondContact OD2-CE2 3.5Å; D121-K215 WeakPolarHBondContact O-CE 3.49Å; D121-K215 PolarHBondContact O-NZ 2.9Å
122K94.8Very high96.6Very high122 Ų12249.5 Ų49.553%0.5327%0.265SS..Hα-helixtrans-84.9-48.2178.6-175-178.7175.9-172.80113.2C119 P120 Y213 K215C119-K122 HydrophobicContact CB-CB 4.03Å; C119-K122 PolarHBondContact O-N 2.92Å; P120-K122 PolarHBondContact O-N 2.79Å; K122-Y213 HydrophobicContact CB-CD1 4.38Å; K122-Y213 HydrophobicContact CB-CD2 4.43Å; K122-Y213 HydrophobicContact CB-CE1 3.97Å; K122-Y213 HydrophobicContact CB-CE2 4.01Å; K122-Y213 HydrophobicContact CD-CE1 4.19Å; K122-Y213 HydrophobicContact CG-CD1 3.91Å; K122-Y213 HydrophobicContact CG-CE1 3.68Å; K122-Y213 HydrophobicContact CG-CG 4.45Å; K122-K215 VanDerWaalsContact C-NZ 3.26Å; K122-K215 PolarHBondContact O-NZ 2.86Å
123D95.7Very high96.6Very high74 Ų7451 Ų5140%0.39626%0.258SS..Hα-helixtrans-97.9-21.3-162.2-53.1-38.5000112.9F118 C119 P120F118-D123 HydrophobicContact CD2-CB 3.94Å; F118-D123 HydrophobicContact CE2-CB 3.94Å; C119-D123 PolarHBondContact N-OD2 2.87Å; C119-D123 WeakPolarHBondContact O-CB 3.28Å; C119-D123 PolarHBondContact O-N 3.24Å; P120-D123 PolarHBondContact O-N 2.78Å
124A96.6Very high96.5Very high1 Ų149.1 Ų49.11%0.00825%0.254CS..SBendtrans-75132.8-178.700000112.2T33 Y38 P120 K215T33-A124 VanDerWaalsContact OG1-CA 3.31Å; T33-A124 WeakPolarHBondContact OG1-CA 3.2Å; Y38-A124 HydrophobicContact CE1-CB 4.09Å; P120-A124 HydrophobicContact CB-CB 4.48Å; P120-A124 WeakPolarHBondContact O-CA 3.29Å; P120-A124 WeakPolarHBondContact O-CB 3.41Å; P120-A124 PolarHBondContact O-N 2.8Å; A124-K215 PolarHBondContact O-NZ 2.84Å
125A96.5Very high96.3Very high47 Ų4745.3 Ų45.339%0.38824%0.242SC..PPolyproline II helixtrans-70.4145.4172.500000111.2T33 N35T33-A125 PolarHBondContact OG1-N 2.84Å; N35-A125 PolarHBondContact N-O 2.79Å
126I96.7Very high96Very high6 Ų643.8 Ų43.83%0.03123%0.23CC..PPolyproline II helixtrans-91.3135.4170.7-169.7178.2000109.9L160 L163 K215 S217I126-L160 HydrophobicContact CD1-CD1 3.4Å; I126-L160 HydrophobicContact CG1-CD1 4.22Å; I126-L163 HydrophobicContact CD1-CD1 3.5Å; I126-K215 HydrophobicContact CG2-CB 3.79Å; I126-S217 WeakPolarHBondContact O-CA 3.47Å; I126-S217 WeakPolarHBondContact O-CB 3.21Å
127G96.9Very high95.4Very high2 Ų245.3 Ų45.32%0.02125%0.245CC..PPolyproline II helixtrans-82.7162.3174.300000113.1N35 P148 S208 S217N35-G127 PolarHBondContact OD1-N 2.77Å; G127-P148 VanDerWaalsContact O-CG 3.28Å; G127-P148 WeakPolarHBondContact O-CG 3.21Å; G127-S208 WeakPolarHBondContact O-CB 3.44Å; G127-S217 WeakPolarHBondContact O-CB 3.32Å
128P97.6Very high94.5Very high38 Ų3840.5 Ų40.525%0.24723%0.229CC..PPolyproline II helixtrans-63.7169.6171.426.9-33.3000111.2S130 S217 T218 T220P128-S130 PolarHBondContact O-N 2.83Å; P128-S217 VanDerWaalsContact N-CB 3.32Å; P128-T218 WeakPolarHBondContact CB-O 3.46Å; P128-T220 HydrophobicContact CB-CG2 3.89Å
129P97.3Very high93.7Very high7 Ų743.6 Ų43.65%0.04525%0.251CS..PPolyproline II helixtrans-48.8132.9168.7-26.133.6000111.7K131 V132 I145 T146 Y165 I206 S208 T220P129-K131 PolarHBondContact O-N 3.11Å; P129-V132 HydrophobicContact CB-CG2 4.07Å; P129-I145 HydrophobicContact CB-CG2 3.66Å; P129-I145 HydrophobicContact CG-CG2 3.84Å; P129-T146 CarbonylContact C-O 3.59Å; P129-T146 WeakPolarHBondContact CA-O 3.34Å; P129-T146 WeakPolarHBondContact CB-O 3.32Å; P129-Y165 HydrophobicContact CG-CD1 3.82Å; P129-Y165 HydrophobicContact CG-CE1 3.82Å; P129-I206 HydrophobicContact CG-CB 4.29Å; P129-I206 HydrophobicContact CG-CG2 3.83Å; P129-S208 WeakPolarHBondContact CD-OG 3.13Å; P129-T220 HydrophobicContact CG-CG2 4.42Å
130S96.5Very high93.3Very high55 Ų5544.4 Ų44.439%0.38526%0.255SS..SBendtrans-65.8-27.7-175.2-50.70000112.2P128 T146 D147 P148 Q149P128-S130 PolarHBondContact O-N 2.83Å; S130-T146 PolarHBondContact N-O 3.05Å; S130-D147 WeakPolarHBondContact CB-O 3.46Å; S130-D147 PolarHBondContact OG-O 3.4Å; S130-P148 WeakPolarHBondContact OG-CA 3.35Å; S130-Q149 WeakPolarHBondContact OG-CG 3.36Å; S130-Q149 PolarHBondContact OG-N 2.76Å
131K96Very high93.1Very high92 Ų9244.4 Ų44.440%0.426%0.255SS..EExtended strand (participates in β ladder)trans-154.8138.6178.2-170.9172.1-171.91660110.8P129 T146P129-K131 PolarHBondContact O-N 3.11Å; K131-T146 PolarHBondContact O-N 2.96Å
132V96.8Very high93.1Very high27 Ų2745.3 Ų45.316%0.16426%0.26CS..EExtended strand (participates in β ladder)trans-123.8138.1171.8-177.60000108.2P129 I143 F144 I206 T220 L223P129-V132 HydrophobicContact CB-CG2 4.07Å; V132-I143 HydrophobicContact CG1-CG2 4.15Å; V132-F144 CarbonylContact C-O 3.57Å; V132-F144 WeakPolarHBondContact CA-O 3.25Å; V132-I206 HydrophobicContact CB-CD1 4.48Å; V132-I206 HydrophobicContact CG1-CD1 3.65Å; V132-I206 HydrophobicContact CG2-CD1 3.92Å; V132-I206 HydrophobicContact CG2-CG1 4.49Å; V132-T220 HydrophobicContact CG2-CG2 4.11Å; V132-L223 HydrophobicContact CG1-CD2 4.27Å
133R96.1Very high93.1Very high147 Ų14739.5 Ų39.556%0.55524%0.235SC*.EExtended strand (participates in β ladder)trans-130.8142.5172-70.4175.7157.6140.5-13.5109.4F144R133-F144 HydrophobicContact CB-CB 4.2Å; R133-F144 HydrophobicContact CB-CD2 4.44Å; R133-F144 PolarHBondContact N-O 3.37Å; R133-F144 PolarHBondContact O-N 2.86Å
134L95.1Very high93.2Very high34 Ų3439.8 Ų39.818%0.17823%0.233CC..EExtended strand (participates in β ladder)trans-107.8133.1172.9-58.1-179.4000108.7L141 D142 I143 V204 L223 T225L134-L141 HydrophobicContact CB-CD1 4.05Å; L134-L141 HydrophobicContact CD2-CD1 4.38Å; L134-D142 CarbonylContact C-O 3.48Å; L134-D142 WeakPolarHBondContact CA-O 3.26Å; L134-I143 HydrophobicContact CD2-CB 4.26Å; L134-I143 HydrophobicContact CD2-CD1 4.46Å; L134-I143 HydrophobicContact CD2-CG1 3.87Å; L134-I143 HydrophobicContact CD2-CG2 4.03Å; L134-V204 HydrophobicContact CD1-CG2 4.17Å; L134-V204 HydrophobicContact CD2-CB 4.44Å; L134-V204 HydrophobicContact CD2-CG2 4.11Å; L134-L223 HydrophobicContact CD1-CB 4.26Å; L134-L223 HydrophobicContact CD1-CD2 4.11Å; L134-L223 HydrophobicContact CD1-CG 3.76Å; L134-L223 WeakPolarHBondContact CD1-O 3.38Å; L134-L223 HydrophobicContact CG-CD2 3.73Å; L134-L223 HydrophobicContact CG-CG 3.98Å; L134-T225 HydrophobicContact CB-CG2 4.07Å; L134-T225 HydrophobicContact CD1-CG2 3.82Å
135G92.1Very high93.2Very high19 Ų1940.1 Ų40.120%0.19624%0.235CC..EExtended strand (participates in β ladder)trans-114.8141.7169.200000109.2D142G135-D142 PolarHBondContact N-O 2.93Å; G135-D142 PolarHBondContact O-N 3.17Å
136V90.8Very high93.2Very high40 Ų4040.7 Ų40.724%0.24223%0.233CC..EExtended strand (participates in β ladder)trans-118133.2176.8179.10000107.6L141 T225 E228V136-L141 HydrophobicContact CG2-CD1 4.13Å; V136-T225 HydrophobicContact CG2-CG2 3.7Å; V136-E228 HydrophobicContact CG1-CB 4.07Å; V136-E228 HydrophobicContact CG1-CG 3.94Å
137S84.9Confident93.2Very high77 Ų7741.7 Ų41.754%0.53824%0.238SC..EExtended strand (participates in β ladder)trans-138.688.1176.8-174.50000108.8S139 T140S137-S139 PolarHBondContact O-N 2.89Å; S137-T140 PolarHBondContact N-O 3.03Å; S137-T140 VanDerWaalsContact N-O 3.07Å; S137-T140 PolarHBondContact O-N 2.88Å; S137-T140 PolarHBondContact O-OG1 2.73Å
138G79.7Confident93.2Very high26 Ų2641.6 Ų41.627%0.26824%0.237SC..THydrogen-bonded Turntrans56-124.5-169.800000111.2T140 E228G138-T140 PolarHBondContact O-N 3.36Å; G138-E228 CarbonylContact C-O 2.92Å; G138-E228 WeakPolarHBondContact CA-O 3.47Å
139S79.9Confident93.2Very high67 Ų6743.6 Ų43.647%0.46924%0.244SC..THydrogen-bonded Turntrans-84.823.3-178.368.10000114.4S137 V196S137-S139 PolarHBondContact O-N 2.89Å; S139-V196 WeakPolarHBondContact O-CG2 3.42Å
140T87.9Confident93.1Very high35 Ų3544 Ų4422%0.21525%0.245CC..EExtended strand (participates in β ladder)trans-123.8141.5174.668.10000111.3S137 G138 T192 L193S137-T140 PolarHBondContact N-O 3.03Å; S137-T140 VanDerWaalsContact N-O 3.07Å; S137-T140 PolarHBondContact O-N 2.88Å; S137-T140 PolarHBondContact O-OG1 2.73Å; G138-T140 PolarHBondContact O-N 3.36Å; T140-T192 HydrophobicContact CG2-CG2 4.22Å; T140-L193 WeakPolarHBondContact CA-O 3.25Å
141L92.1Very high92.9Very high0 Ų043.8 Ų43.80%024%0.244CC..EExtended strand (participates in β ladder)trans-113.2108.4175.8175.662.2000109.6L134 V136 L193 V196 V204 T225L134-L141 HydrophobicContact CB-CD1 4.05Å; L134-L141 HydrophobicContact CD2-CD1 4.38Å; V136-L141 HydrophobicContact CG2-CD1 4.13Å; L141-L193 HydrophobicContact CB-CB 4.25Å; L141-L193 HydrophobicContact CD2-CD1 4.19Å; L141-L193 PolarHBondContact N-O 3.26Å; L141-L193 PolarHBondContact O-N 2.89Å; L141-V196 HydrophobicContact CB-CG1 4.17Å; L141-V196 HydrophobicContact CB-CG2 4.23Å; L141-V204 HydrophobicContact CD2-CG2 4.31Å; L141-T225 HydrophobicContact CD1-CG2 3.45Å; L141-T225 VanDerWaalsContact CD1-CG2 3.45Å
142D94.1Very high92.7Very high35 Ų3543.2 Ų43.219%0.18725%0.252CS..EExtended strand (participates in β ladder)trans-86.4132176.2-64.4-33.8000110.2L134 G135 F144 L191 T192L134-D142 CarbonylContact C-O 3.48Å; L134-D142 WeakPolarHBondContact CA-O 3.26Å; G135-D142 PolarHBondContact N-O 2.93Å; G135-D142 PolarHBondContact O-N 3.17Å; D142-F144 HydrophobicContact CB-CD2 4.46Å; D142-F144 HydrophobicContact CB-CE2 3.63Å; D142-F144 HydrophobicContact CB-CZ 3.92Å; D142-L191 CarbonylContact C-O 3.43Å; D142-L191 WeakPolarHBondContact CA-O 3.43Å; D142-T192 VanDerWaalsContact OD1-CB 3.31Å; D142-T192 WeakPolarHBondContact OD1-CB 3.45Å; D142-T192 WeakPolarHBondContact OD1-CG2 3.4Å; D142-T192 PolarHBondContact OD1-OG1 3.1Å
143I95.8Very high92.6Very high0 Ų047.6 Ų47.60%027%0.274CS..EExtended strand (participates in β ladder)trans-116.8118.2177.8-47.1-174.9000108.1V132 L134 I145 I167 I190 L191 L193 V204 I206V132-I143 HydrophobicContact CG1-CG2 4.15Å; L134-I143 HydrophobicContact CD2-CB 4.26Å; L134-I143 HydrophobicContact CD2-CD1 4.46Å; L134-I143 HydrophobicContact CD2-CG1 3.87Å; L134-I143 HydrophobicContact CD2-CG2 4.03Å; I143-I145 HydrophobicContact CG2-CD1 4.42Å; I143-I145 HydrophobicContact CG2-CG1 3.98Å; I143-I167 HydrophobicContact CD1-CG2 4.23Å; I143-I190 WeakPolarHBondContact O-CA 3.41Å; I143-L191 HydrophobicContact CB-CD1 4.46Å; I143-L191 HydrophobicContact CB-CD2 3.91Å; I143-L191 HydrophobicContact CB-CG 3.9Å; I143-L191 HydrophobicContact CD1-CD1 4Å; I143-L191 HydrophobicContact CD1-CD2 4.33Å; I143-L191 HydrophobicContact CD1-CG 4.33Å; I143-L191 HydrophobicContact CG1-CD1 4.23Å; I143-L191 HydrophobicContact CG1-CD2 4.48Å; I143-L191 HydrophobicContact CG1-CG 4.22Å; I143-L191 HydrophobicContact CG2-CD2 4.38Å; I143-L191 PolarHBondContact N-O 3.19Å; I143-L191 PolarHBondContact O-N 2.98Å; I143-L191 VanDerWaalsContact O-N 3.11Å; I143-L193 HydrophobicContact CD1-CD1 3.83Å; I143-L193 HydrophobicContact CD1-CG 4.22Å; I143-V204 HydrophobicContact CD1-CG1 4.07Å; I143-V204 HydrophobicContact CD1-CG2 4.3Å; I143-I206 HydrophobicContact CG2-CD1 3.67Å
144F97Very high92.4Very high80 Ų8044.7 Ų44.735%0.35127%0.27SS..EExtended strand (participates in β ladder)trans-106.6118.1176-54.6-91.6000109.3V132 R133 D142 I190V132-F144 CarbonylContact C-O 3.57Å; V132-F144 WeakPolarHBondContact CA-O 3.25Å; R133-F144 HydrophobicContact CB-CB 4.2Å; R133-F144 HydrophobicContact CB-CD2 4.44Å; R133-F144 PolarHBondContact N-O 3.37Å; R133-F144 PolarHBondContact O-N 2.86Å; D142-F144 HydrophobicContact CB-CD2 4.46Å; D142-F144 HydrophobicContact CB-CE2 3.63Å; D142-F144 HydrophobicContact CB-CZ 3.92Å; F144-I190 HydrophobicContact CD1-CD1 4.11Å; F144-I190 HydrophobicContact CD1-CG1 3.95Å; F144-I190 HydrophobicContact CD1-CG2 3.94Å; F144-I190 HydrophobicContact CE1-CD1 4.31Å; F144-I190 HydrophobicContact CE1-CG1 4.46Å; F144-I190 HydrophobicContact CE1-CG2 3.81Å
145I97.6Very high92.5Very high9 Ų944.3 Ų44.35%0.04627%0.27CS..EExtended strand (participates in β ladder)trans-111.3128.2-175.7-52.9174.4000107.8P129 I143 Y165 I167 T189 L191 I206P129-I145 HydrophobicContact CB-CG2 3.66Å; P129-I145 HydrophobicContact CG-CG2 3.84Å; I143-I145 HydrophobicContact CG2-CD1 4.42Å; I143-I145 HydrophobicContact CG2-CG1 3.98Å; I145-Y165 HydrophobicContact CD1-CD2 4.11Å; I145-Y165 HydrophobicContact CD1-CG 4.14Å; I145-Y165 HydrophobicContact CG2-CD1 4.1Å; I145-Y165 HydrophobicContact CG2-CD2 4.3Å; I145-Y165 HydrophobicContact CG2-CE1 3.88Å; I145-Y165 HydrophobicContact CG2-CE2 4.09Å; I145-Y165 HydrophobicContact CG2-CG 4.31Å; I145-I167 HydrophobicContact CD1-CD1 4.08Å; I145-T189 PolarHBondContact N-O 2.73Å; I145-T189 VanDerWaalsContact O-CB 3.32Å; I145-T189 WeakPolarHBondContact O-CB 3.31Å; I145-L191 HydrophobicContact CD1-CD2 4.22Å; I145-I206 HydrophobicContact CD1-CD1 3.84Å; I145-I206 HydrophobicContact CD1-CG2 4.29Å; I145-I206 HydrophobicContact CG1-CD1 3.83Å
146T96.9Very high92.6Very high59 Ų5943.4 Ų43.436%0.36226%0.261SS..EExtended strand (participates in β ladder)trans-99.7126.7167.5-54.60000108.3P129 S130 K131P129-T146 CarbonylContact C-O 3.59Å; P129-T146 WeakPolarHBondContact CA-O 3.34Å; P129-T146 WeakPolarHBondContact CB-O 3.32Å; S130-T146 PolarHBondContact N-O 3.05Å; K131-T146 PolarHBondContact O-N 2.96Å
147D97Very high92.7Very high26 Ų2645.9 Ų45.914%0.13927%0.268CS..PPolyproline II helixtrans-51.6152.3-178.9-59.1-21.6000112.3S130 Q149 S155 L163 Y165 T189S130-D147 WeakPolarHBondContact CB-O 3.46Å; S130-D147 PolarHBondContact OG-O 3.4Å; D147-Q149 PolarHBondContact O-N 2.93Å; D147-S155 WeakPolarHBondContact CB-OG 3.2Å; D147-S155 VanDerWaalsContact CG-OG 3.26Å; D147-S155 PolarHBondContact OD2-OG 2.84Å; D147-L163 HydrophobicContact CB-CD2 4.4Å; D147-Y165 VanDerWaalsContact CA-OH 3.29Å; D147-Y165 WeakPolarHBondContact CA-OH 3.37Å; D147-Y165 VanDerWaalsContact CG-OH 3.31Å; D147-Y165 PolarHBondContact OD1-OH 3.32Å; D147-T189 WeakPolarHBondContact OD1-CG2 3.49Å
148P96.8Very high93Very high0 Ų049.8 Ų49.80%028%0.278CS..PPolyproline II helixtrans-53.7136.8167.1-20.232.3000109.5G127 S130 M156 L163 S208G127-P148 VanDerWaalsContact O-CG 3.28Å; G127-P148 WeakPolarHBondContact O-CG 3.21Å; S130-P148 WeakPolarHBondContact OG-CA 3.35Å; P148-M156 HydrophobicContact CB-CB 4.16Å; P148-M156 HydrophobicContact CB-CG 4Å; P148-M156 VanDerWaalsContact O-CB 3.31Å; P148-M156 WeakPolarHBondContact O-CB 3.37Å; P148-M156 VanDerWaalsContact O-CG 3.27Å; P148-M156 WeakPolarHBondContact O-CG 3.35Å; P148-M156 PolarHBondContact O-N 3.29Å; P148-L163 HydrophobicContact CG-CD2 4.43Å; P148-S208 WeakPolarHBondContact CG-OG 3.45Å
149Q96.1Very high93.5Very high80 Ų8051.2 Ų51.237%0.37428%0.277SS..BIsolated β-bridgetrans-101.7143.6-176.4-77.4177.1-27.700111.8N35 S130 D147 N153 N154N35-Q149 PolarHBondContact ND2-O 3.04Å; S130-Q149 WeakPolarHBondContact OG-CG 3.36Å; S130-Q149 PolarHBondContact OG-N 2.76Å; D147-Q149 PolarHBondContact O-N 2.93Å; Q149-N153 PolarHBondContact NE2-O 3.33Å; Q149-N154 CarbonylContact C-O 3.55Å; Q149-N154 WeakPolarHBondContact CA-O 3.14Å
150N94.8Very high94.1Very high16 Ų1648.7 Ų48.79%0.08626%0.258CS..  trans-80.1176.3171.980.57.9000110.8T36 S152 N153 N154 M156T36-N150 HydrophobicContact CG2-CB 3.95Å; T36-N150 WeakPolarHBondContact OG1-CA 3.34Å; T36-N150 VanDerWaalsContact OG1-CB 3.25Å; T36-N150 WeakPolarHBondContact OG1-CB 3.45Å; N150-S152 PolarHBondContact O-N 2.89Å; N150-S152 VanDerWaalsContact O-N 3.08Å; N150-S152 WeakPolarHBondContact OD1-CA 3.43Å; N150-S152 WeakPolarHBondContact OD1-CB 3.33Å; N150-S152 PolarHBondContact OD1-N 3.32Å; N150-N153 PolarHBondContact O-N 2.74Å; N150-N153 PolarHBondContact OD1-N 3.33Å; N150-N154 PolarHBondContact N-O 3.48Å; N150-N154 PolarHBondContact OD1-N 2.97Å; N150-N154 PolarHBondContact OD1-O 2.79Å; N150-M156 HydrophobicContact CB-SD 3.6Å; N150-M156 VanDerWaalsContact CB-SD 3.6Å
151S93.6Very high94.2Very high50 Ų5054 Ų5435%0.3528%0.281SS..THydrogen-bonded Turntrans-64.4-13.4-177.460.30000114.2T36 N37T36-S151 PolarHBondContact OG1-N 2.79Å; T36-S151 PolarHBondContact OG1-OG 2.54Å; N37-S151 WeakPolarHBondContact OD1-CB 3.3Å
152S92.4Very high94.2Very high81 Ų8159.2 Ų59.257%0.56630%0.303SS*.THydrogen-bonded Turntrans-103.512.8174.4-59.20000113N150 N154N150-S152 PolarHBondContact O-N 2.89Å; N150-S152 VanDerWaalsContact O-N 3.08Å; N150-S152 WeakPolarHBondContact OD1-CA 3.43Å; N150-S152 WeakPolarHBondContact OD1-CB 3.33Å; N150-S152 PolarHBondContact OD1-N 3.32Å; S152-N154 VanDerWaalsContact C-N 3.26Å; S152-N154 PolarHBondContact O-N 2.81Å
153N93.1Very high94.2Very high118 Ų11857.8 Ų57.863%0.63130%0.296SS*.SBendtrans64.916.1-177.3-56.1-48000116Q149 N150Q149-N153 PolarHBondContact NE2-O 3.33Å; N150-N153 PolarHBondContact O-N 2.74Å; N150-N153 PolarHBondContact OD1-N 3.33Å
154N93.6Very high94.2Very high87 Ų8759.7 Ų59.747%0.46530%0.303SS..  trans-88.9159.5172.6-59.4-26.9000110.8Q149 N150 S152Q149-N154 CarbonylContact C-O 3.55Å; Q149-N154 WeakPolarHBondContact CA-O 3.14Å; N150-N154 PolarHBondContact N-O 3.48Å; N150-N154 PolarHBondContact OD1-N 2.97Å; N150-N154 PolarHBondContact OD1-O 2.79Å; S152-N154 VanDerWaalsContact C-N 3.26Å; S152-N154 PolarHBondContact O-N 2.81Å
155S95.3Very high94.3Very high26 Ų2655.9 Ų55.918%0.18229%0.287CS..BIsolated β-bridgetrans-65.5135179.4175.60000111.9D147 K157 E158D147-S155 WeakPolarHBondContact CB-OG 3.2Å; D147-S155 VanDerWaalsContact CG-OG 3.26Å; D147-S155 PolarHBondContact OD2-OG 2.84Å; S155-K157 PolarHBondContact O-N 3Å; S155-K157 WeakPolarHBondContact OG-CB 3.29Å; S155-K157 PolarHBondContact OG-N 3.25Å; S155-E158 PolarHBondContact O-N 3.03Å
156M95.1Very high94.3Very high0 Ų057 Ų570%029%0.291CS..G310 helixtrans-66.3-16.4169.7-72.8-60.4-59.900112.7N35 T36 Y94 P148 N150 E158 Q159 L160N35-M156 HydrophobicContact CB-CE 4.21Å; N35-M156 HydrophobicContact CB-CG 4.03Å; N35-M156 HydrophobicContact CB-SD 3.66Å; T36-M156 HydrophobicContact CG2-CE 4.37Å; T36-M156 HydrophobicContact CG2-SD 4.05Å; Y94-M156 HydrophobicContact CE2-CE 3.88Å; P148-M156 HydrophobicContact CB-CB 4.16Å; P148-M156 HydrophobicContact CB-CG 4Å; P148-M156 VanDerWaalsContact O-CB 3.31Å; P148-M156 WeakPolarHBondContact O-CB 3.37Å; P148-M156 VanDerWaalsContact O-CG 3.27Å; P148-M156 WeakPolarHBondContact O-CG 3.35Å; P148-M156 PolarHBondContact O-N 3.29Å; N150-M156 HydrophobicContact CB-SD 3.6Å; N150-M156 VanDerWaalsContact CB-SD 3.6Å; M156-E158 PolarHBondContact O-N 3.06Å; M156-Q159 HydrophobicContact CE-CB 4.37Å; M156-Q159 PolarHBondContact O-N 3.18Å; M156-Q159 PolarHBondContact SD-OE1 3.29Å; M156-L160 HydrophobicContact CB-CD1 4.05Å; M156-L160 HydrophobicContact CE-CG 4.47Å; M156-L160 WeakPolarHBondContact O-CG 3.27Å; M156-L160 PolarHBondContact O-N 3.33Å; M156-L160 VanDerWaalsContact O-N 3.08Å
157K93.1Very high94.2Very high91 Ų9154.2 Ų54.240%0.39627%0.274SS..G310 helixtrans-59.1-28.8177.1-167.9166.8-177.5166.80112.6S155 Q159 L163 D187S155-K157 PolarHBondContact O-N 3Å; S155-K157 WeakPolarHBondContact OG-CB 3.29Å; S155-K157 PolarHBondContact OG-N 3.25Å; K157-Q159 VanDerWaalsContact C-N 3.34Å; K157-L163 HydrophobicContact CB-CB 4.49Å; K157-L163 HydrophobicContact CB-CD2 3.97Å; K157-L163 HydrophobicContact CG-CB 4.3Å; K157-L163 HydrophobicContact CG-CD2 4.48Å; K157-D187 PolarHBondContact NZ-O 2.55Å; K157-D187 VanDerWaalsContact NZ-O 3.11Å
158E91Very high94.2Very high159 Ų15953.3 Ų53.374%0.74327%0.27SS*.G310 helixtrans-76.5-21.5177.9-63.6177.6-176.500113.4S155 M156S155-E158 PolarHBondContact O-N 3.03Å; M156-E158 PolarHBondContact O-N 3.06Å
159Q91.1Very high94Very high57 Ų5755.5 Ų55.527%0.26628%0.278SS..THydrogen-bonded Turntrans-98.7-27.1-176.8-64.5-174-37.500112.6Y94 M156 K157Y94-Q159 HydrophobicContact CD1-CB 3.93Å; Y94-Q159 VanDerWaalsContact CD1-O 3.22Å; Y94-Q159 WeakPolarHBondContact CD1-O 3.35Å; Y94-Q159 HydrophobicContact CD2-CB 4.4Å; Y94-Q159 HydrophobicContact CE1-CB 4.29Å; Y94-Q159 WeakPolarHBondContact CE1-O 3.3Å; Y94-Q159 HydrophobicContact CG-CB 3.99Å; M156-Q159 HydrophobicContact CE-CB 4.37Å; M156-Q159 PolarHBondContact O-N 3.18Å; M156-Q159 PolarHBondContact SD-OE1 3.29Å; K157-Q159 VanDerWaalsContact C-N 3.34Å
160L91.9Very high93.8Very high13 Ų1353.6 Ų53.67%0.06827%0.268CS..SBendtrans-89.5154.8-179.2-65.4167.2000111.4Y94 I126 M156 L163Y94-L160 HydrophobicContact CE1-CD2 4.03Å; Y94-L160 VanDerWaalsContact OH-CD2 3.25Å; Y94-L160 WeakPolarHBondContact OH-CD2 3.2Å; I126-L160 HydrophobicContact CD1-CD1 3.4Å; I126-L160 HydrophobicContact CG1-CD1 4.22Å; M156-L160 HydrophobicContact CB-CD1 4.05Å; M156-L160 HydrophobicContact CE-CG 4.47Å; M156-L160 WeakPolarHBondContact O-CG 3.27Å; M156-L160 PolarHBondContact O-N 3.33Å; M156-L160 VanDerWaalsContact O-N 3.08Å; L160-L163 HydrophobicContact CD1-CB 4.16Å; L160-L163 HydrophobicContact CD1-CD1 4.05Å; L160-L163 HydrophobicContact CD1-CD2 4.48Å; L160-L163 HydrophobicContact CD1-CG 4.47Å
161H88.9Confident93.6Very high148 Ų14856.2 Ų56.269%0.68528%0.279SS*.SBendtrans-70.8-49.4177.4-177.9-82.1000111.6F212H161-F212 HydrophobicContact CB-CB 4.26Å
162K91.9Very high93.2Very high108 Ų10857.7 Ų57.747%0.4728%0.281SS..  trans-149.389.6179.5-170.2-175.9178.9-170.10111D210K162-D210 PolarHBondContact N-OD1 2.76Å
163L95.2Very high92.4Very high6 Ų656.1 Ų56.13%0.03127%0.269CS..EExtended strand (participates in β ladder)trans-77.1124.7170.8179.960.8000111I126 D147 P148 K157 L160 Y165I126-L163 HydrophobicContact CD1-CD1 3.5Å; D147-L163 HydrophobicContact CB-CD2 4.4Å; P148-L163 HydrophobicContact CG-CD2 4.43Å; K157-L163 HydrophobicContact CB-CB 4.49Å; K157-L163 HydrophobicContact CB-CD2 3.97Å; K157-L163 HydrophobicContact CG-CB 4.3Å; K157-L163 HydrophobicContact CG-CD2 4.48Å; L160-L163 HydrophobicContact CD1-CB 4.16Å; L160-L163 HydrophobicContact CD1-CD1 4.05Å; L160-L163 HydrophobicContact CD1-CD2 4.48Å; L160-L163 HydrophobicContact CD1-CG 4.47Å; L163-Y165 WeakPolarHBondContact CD2-OH 3.18Å
164Y96.6Very high91.1Very high39 Ų3959.9 Ų59.915%0.15328%0.283CS..EExtended strand (participates in β ladder)trans-138.1171.3168.967.5-84.6000110.8T185 T186 R209 D211Y164-T185 HydrophobicContact CE2-CG2 4.39Å; Y164-T186 CarbonylContact C-O 3.45Å; Y164-T186 WeakPolarHBondContact CB-O 3.37Å; Y164-R209 HydrophobicContact CD1-CB 4.1Å; Y164-R209 HydrophobicContact CD2-CB 3.82Å; Y164-R209 HydrophobicContact CD2-CG 4.46Å; Y164-R209 HydrophobicContact CE1-CB 3.67Å; Y164-R209 HydrophobicContact CE2-CB 3.36Å; Y164-R209 HydrophobicContact CE2-CG 3.82Å; Y164-R209 HydrophobicContact CG-CB 4.17Å; Y164-R209 PolarHBondContact N-O 2.74Å; Y164-R209 PolarHBondContact O-N 3.2Å; Y164-D211 VanDerWaalsContact CE1-CG 3.49Å; Y164-D211 VanDerWaalsContact CE1-OD1 3.26Å; Y164-D211 WeakPolarHBondContact CE1-OD1 3.31Å; Y164-D211 WeakPolarHBondContact CE1-OD2 3.11Å; Y164-D211 VanDerWaalsContact CZ-OD1 3.28Å; Y164-D211 PolarHBondContact OH-OD1 3Å
165Y97.6Very high89.9Confident1 Ų163.1 Ų63.10%0.00430%0.3CS..EExtended strand (participates in β ladder)trans-118.7137.1-173.9-56.6-69.5000110.2P129 I145 D147 L163 T185 T186 T189 I206 R207 S208P129-Y165 HydrophobicContact CG-CD1 3.82Å; P129-Y165 HydrophobicContact CG-CE1 3.82Å; I145-Y165 HydrophobicContact CD1-CD2 4.11Å; I145-Y165 HydrophobicContact CD1-CG 4.14Å; I145-Y165 HydrophobicContact CG2-CD1 4.1Å; I145-Y165 HydrophobicContact CG2-CD2 4.3Å; I145-Y165 HydrophobicContact CG2-CE1 3.88Å; I145-Y165 HydrophobicContact CG2-CE2 4.09Å; I145-Y165 HydrophobicContact CG2-CG 4.31Å; D147-Y165 VanDerWaalsContact CA-OH 3.29Å; D147-Y165 WeakPolarHBondContact CA-OH 3.37Å; D147-Y165 VanDerWaalsContact CG-OH 3.31Å; D147-Y165 PolarHBondContact OD1-OH 3.32Å; L163-Y165 WeakPolarHBondContact CD2-OH 3.18Å; Y165-T185 CarbonylContact O-C 3.57Å; Y165-T185 WeakPolarHBondContact O-CA 3.38Å; Y165-T186 PolarHBondContact N-O 3.26Å; Y165-T186 PolarHBondContact O-N 2.96Å; Y165-T189 HydrophobicContact CE2-CG2 4.42Å; Y165-I206 HydrophobicContact CD1-CG2 4.25Å; Y165-I206 HydrophobicContact CG-CG2 4.42Å; Y165-R207 WeakPolarHBondContact CA-O 3.32Å; Y165-S208 VanDerWaalsContact CE1-OG 3.32Å; Y165-S208 WeakPolarHBondContact CE1-OG 3.45Å
166E97.4Very high88.2Confident31 Ų3165.2 Ų65.215%0.14533%0.326CS..EExtended strand (participates in β ladder)trans-105.9118.8166.9-175.4-177.1164.600107.7T183 T185 I206 R207 R209E166-T183 HydrophobicContact CG-CG2 3.91Å; E166-T185 HydrophobicContact CB-CG2 4.42Å; E166-T185 HydrophobicContact CG-CG2 4.37Å; E166-I206 WeakPolarHBondContact O-CA 3.44Å; E166-R207 HydrophobicContact CB-CG 3.94Å; E166-R207 VanDerWaalsContact CD-NE 3.34Å; E166-R207 PolarHBondContact N-O 2.81Å; E166-R207 PolarHBondContact O-N 3.21Å; E166-R207 IonicContact OE1-CZ 3.63Å; E166-R207 IonicContact OE1-NE 3.72Å; E166-R207 IonicContact OE1-NH2 2.75Å; E166-R207 PolarHBondContact OE1-NH2 3.18Å; E166-R207 IonicContact OE2-CZ 3.08Å; E166-R207 IonicContact OE2-NE 2.67Å; E166-R207 PolarHBondContact OE2-NE 2.62Å; E166-R207 IonicContact OE2-NH2 2.78Å; E166-R207 PolarHBondContact OE2-NH2 2.89Å; E166-R209 HydrophobicContact CB-CG 4.28Å; E166-R209 IonicContact OE2-CZ 3.54Å; E166-R209 IonicContact OE2-NE 3.03Å; E166-R209 PolarHBondContact OE2-NE 3.11Å; E166-R209 IonicContact OE2-NH2 3.17Å; E166-R209 PolarHBondContact OE2-NH2 2.76Å
167I96.6Very high86.7Confident1 Ų173.6 Ų73.61%0.00536%0.362CS..EExtended strand (participates in β ladder)trans-110.3126.9-174.6-59.1166.7000107.1I143 I145 Y169 T183 M184 T186 L191 V204 I206I143-I167 HydrophobicContact CD1-CG2 4.23Å; I145-I167 HydrophobicContact CD1-CD1 4.08Å; I167-Y169 HydrophobicContact CG2-CD1 4.46Å; I167-T183 CarbonylContact O-C 3.47Å; I167-T183 VanDerWaalsContact O-CA 3.31Å; I167-T183 WeakPolarHBondContact O-CA 3.25Å; I167-M184 PolarHBondContact N-O 3.18Å; I167-M184 PolarHBondContact O-N 2.8Å; I167-T186 HydrophobicContact CD1-CG2 3.6Å; I167-L191 HydrophobicContact CD1-CD2 3.18Å; I167-L191 HydrophobicContact CD1-CG 4.46Å; I167-V204 HydrophobicContact CG2-CG1 3.72Å; I167-I206 HydrophobicContact CG1-CD1 4.25Å; I167-I206 HydrophobicContact CG1-CG1 4.11Å; I167-I206 HydrophobicContact CG1-CG2 3.94Å; I167-I206 HydrophobicContact CG2-CG1 4.29Å
168V95.3Very high85.1Confident8 Ų873 Ų735%0.04838%0.382CS..EExtended strand (participates in β ladder)trans-116.6124.1175.2177.50000106.9W170 L181 M182 T183 V204 Q205 F219V168-W170 HydrophobicContact CG1-CE3 4.13Å; V168-W170 HydrophobicContact CG1-CZ3 4.13Å; V168-L181 HydrophobicContact CG1-CD1 4.32Å; V168-L181 HydrophobicContact CG1-CD2 3.28Å; V168-L181 HydrophobicContact CG1-CG 3.59Å; V168-M182 CarbonylContact C-O 3.6Å; V168-M182 WeakPolarHBondContact CA-O 3.28Å; V168-T183 HydrophobicContact CG2-CG2 4.17Å; V168-V204 CarbonylContact O-C 3.55Å; V168-V204 WeakPolarHBondContact O-CA 3.32Å; V168-Q205 PolarHBondContact N-O 3.3Å; V168-Q205 PolarHBondContact O-N 3.01Å; V168-F219 HydrophobicContact CB-CE1 4.33Å; V168-F219 HydrophobicContact CG2-CE1 3.7Å; V168-F219 HydrophobicContact CG2-CZ 3.87Å
169Y93.3Very high84.4Confident45 Ų4567.5 Ų67.518%0.17636%0.361CS..EExtended strand (participates in β ladder)trans-135.5152.917868.1-83.3000110.9I167 M182 L193 C203I167-Y169 HydrophobicContact CG2-CD1 4.46Å; Y169-M182 HydrophobicContact CD1-CB 3.89Å; Y169-M182 HydrophobicContact CD2-CB 4Å; Y169-M182 HydrophobicContact CD2-CG 4.46Å; Y169-M182 HydrophobicContact CD2-SD 4.31Å; Y169-M182 HydrophobicContact CE1-CB 3.43Å; Y169-M182 VanDerWaalsContact CE1-CB 3.43Å; Y169-M182 HydrophobicContact CE1-CG 4.47Å; Y169-M182 HydrophobicContact CE2-CB 3.55Å; Y169-M182 HydrophobicContact CE2-CG 3.79Å; Y169-M182 HydrophobicContact CE2-SD 4.02Å; Y169-M182 HydrophobicContact CG-CB 4.16Å; Y169-M182 PolarHBondContact N-O 2.86Å; Y169-M182 PolarHBondContact O-N 2.98Å; Y169-L193 HydrophobicContact CD1-CD1 4.2Å; Y169-L193 HydrophobicContact CD2-CD1 4.21Å; Y169-L193 HydrophobicContact CE1-CD1 4.27Å; Y169-L193 HydrophobicContact CE1-CD2 4.47Å; Y169-L193 HydrophobicContact CE2-CD1 4.28Å; Y169-L193 HydrophobicContact CG-CD1 4.17Å; Y169-C203 WeakPolarHBondContact CA-O 3.36Å; Y169-C203 WeakPolarHBondContact CB-O 3.45Å
170W92.3Very high83.9Confident41 Ų4171.9 Ų71.916%0.15538%0.383CS..EExtended strand (participates in β ladder)trans-154153179.462.997.9000110V168 S179 L181 Y202 C203 Q205 P222V168-W170 HydrophobicContact CG1-CE3 4.13Å; V168-W170 HydrophobicContact CG1-CZ3 4.13Å; W170-S179 VanDerWaalsContact CD1-OG 3.31Å; W170-L181 HydrophobicContact CB-CD1 4.26Å; W170-L181 HydrophobicContact CD2-CD1 4.24Å; W170-L181 HydrophobicContact CE3-CD1 4.07Å; W170-L181 HydrophobicContact CG-CD1 4.34Å; W170-Y202 WeakPolarHBondContact O-CA 3.33Å; W170-C203 HydrophobicContact CD2-CB 4.1Å; W170-C203 HydrophobicContact CH2-CB 4.18Å; W170-C203 HydrophobicContact CZ2-CB 3.57Å; W170-C203 PolarHBondContact N-O 3.17Å; W170-C203 PolarHBondContact O-N 2.78Å; W170-Q205 HydrophobicContact CH2-CG 3.72Å; W170-Q205 HydrophobicContact CZ3-CB 4.27Å; W170-Q205 HydrophobicContact CZ3-CG 3.97Å; W170-P222 HydrophobicContact CH2-CB 4.04Å; W170-P222 HydrophobicContact CZ2-CB 4.24Å
171E90.8Very high83.8Confident70 Ų7076.1 Ų76.133%0.32741%0.405SS..EExtended strand (participates in β ladder)trans-70.7135.1166.7169.6173.3-163.900109.4P173 S179 T200 R201 Y202E171-P173 WeakPolarHBondContact O-CD 3.31Å; E171-S179 WeakPolarHBondContact O-CB 3.05Å; E171-S179 PolarHBondContact O-OG 3.1Å; E171-T200 HydrophobicContact CB-CG2 4.13Å; E171-T200 HydrophobicContact CG-CG2 3.38Å; E171-T200 WeakPolarHBondContact OE1-CG2 3.31Å; E171-R201 CarbonylContact C-O 3.56Å; E171-Y202 HydrophobicContact CB-CD1 4.29Å; E171-Y202 HydrophobicContact CB-CE1 3.93Å
172Q84.4Confident83.9Confident82 Ų8271.9 Ų71.938%0.38339%0.386SS..  trans-92.8106.7171.5-172.7174.43.500108.5R201 C203Q172-R201 HydrophobicContact CB-CB 4.34Å; Q172-R201 HydrophobicContact CB-CG 4.24Å; Q172-R201 PolarHBondContact N-O 2.91Å; Q172-C203 PolarHBondContact OE1-SG 3.08Å
173P75Confident84Confident47 Ų4770.7 Ų70.731%0.30539%0.388SS..  trans-76.8145.8-176.420.8-12.9000110.8E171 D175 K177E171-P173 WeakPolarHBondContact O-CD 3.31Å; P173-D175 VanDerWaalsContact C-N 3.33Å; P173-K177 WeakPolarHBondContact CG-O 3.48Å
174E67.9Low84Confident198 Ų19874.3 Ų74.393%0.92541%0.406SS*.THydrogen-bonded Turntrans-68.6-32.6173-72.1-164.9148.300112.1
175D68.4Low84Confident155 Ų15576.6 Ų76.683%0.82942%0.424SS*.THydrogen-bonded Turntrans-9712.6-171.1-63.5-39.5000114.8P173 K177P173-D175 VanDerWaalsContact C-N 3.33Å; D175-K177 PolarHBondContact O-N 2.83Å
176G59.5Low83.9Confident70 Ų7077.3 Ų77.372%0.72243%0.429SS*.  trans66.15.4176.300000115.8
177K62Low83.7Confident175 Ų17580.1 Ų80.176%0.76145%0.445SS*.PPolyproline II helixtrans-71.2127.7173.9-155.3175.6-173.9-177.80108.9P173 D175 S179P173-K177 WeakPolarHBondContact CG-O 3.48Å; D175-K177 PolarHBondContact O-N 2.83Å; K177-S179 PolarHBondContact O-N 2.79Å
178G60.7Low83.6Confident79 Ų7983.4 Ų83.481%0.81447%0.465SS*.PPolyproline II helixtrans-50.4128-170.400000114
179S75.4Confident83.5Confident44 Ų4485.3 Ų85.331%0.30848%0.476SS..PPolyproline II helixtrans-78.6139.8176.855.70000111.6W170 E171 K177 L181W170-S179 VanDerWaalsContact CD1-OG 3.31Å; E171-S179 WeakPolarHBondContact O-CB 3.05Å; E171-S179 PolarHBondContact O-OG 3.1Å; K177-S179 PolarHBondContact O-N 2.79Å; S179-L181 PolarHBondContact O-N 3.48Å
180M82Confident83.6Confident148 Ų14887.9 Ų87.973%0.72949%0.492SS*.PPolyproline II helixtrans-66.4128.8170.2-174.4168.2176.300109.1M182M180-M182 HydrophobicContact CB-CE 4.13Å; M180-M182 HydrophobicContact CG-CE 4.27Å
181L89.1Confident83.7Confident102 Ų10286.7 Ų86.753%0.53449%0.489SS..EExtended strand (participates in β ladder)trans-87.1123.9176-137.492.7000108.6V168 W170 S179V168-L181 HydrophobicContact CG1-CD1 4.32Å; V168-L181 HydrophobicContact CG1-CD2 3.28Å; V168-L181 HydrophobicContact CG1-CG 3.59Å; W170-L181 HydrophobicContact CB-CD1 4.26Å; W170-L181 HydrophobicContact CD2-CD1 4.24Å; W170-L181 HydrophobicContact CE3-CD1 4.07Å; W170-L181 HydrophobicContact CG-CD1 4.34Å; S179-L181 PolarHBondContact O-N 3.48Å
182M91.1Very high83.8Confident59 Ų5986.7 Ų86.729%0.29149%0.494SS..EExtended strand (participates in β ladder)trans-104.9134.4173.8-62.584.4171.700109.4V168 Y169 M180V168-M182 CarbonylContact C-O 3.6Å; V168-M182 WeakPolarHBondContact CA-O 3.28Å; Y169-M182 HydrophobicContact CD1-CB 3.89Å; Y169-M182 HydrophobicContact CD2-CB 4Å; Y169-M182 HydrophobicContact CD2-CG 4.46Å; Y169-M182 HydrophobicContact CD2-SD 4.31Å; Y169-M182 HydrophobicContact CE1-CB 3.43Å; Y169-M182 VanDerWaalsContact CE1-CB 3.43Å; Y169-M182 HydrophobicContact CE1-CG 4.47Å; Y169-M182 HydrophobicContact CE2-CB 3.55Å; Y169-M182 HydrophobicContact CE2-CG 3.79Å; Y169-M182 HydrophobicContact CE2-SD 4.02Å; Y169-M182 HydrophobicContact CG-CB 4.16Å; Y169-M182 PolarHBondContact N-O 2.86Å; Y169-M182 PolarHBondContact O-N 2.98Å; M180-M182 HydrophobicContact CB-CE 4.13Å; M180-M182 HydrophobicContact CG-CE 4.27Å
183T94.4Very high84Confident83 Ų8383.6 Ų83.651%0.50948%0.48SS..EExtended strand (participates in β ladder)trans-123.5135.1179.3-550000110.2E166 I167 V168E166-T183 HydrophobicContact CG-CG2 3.91Å; I167-T183 CarbonylContact O-C 3.47Å; I167-T183 VanDerWaalsContact O-CA 3.31Å; I167-T183 WeakPolarHBondContact O-CA 3.25Å; V168-T183 HydrophobicContact CG2-CG2 4.17Å
184M94.6Very high84.5Confident83 Ų8385.3 Ų85.341%0.40949%0.493SS..EExtended strand (participates in β ladder)trans-138152.3176.1-178.7-176173.900110I167I167-M184 PolarHBondContact N-O 3.18Å; I167-M184 PolarHBondContact O-N 2.8Å
185T96.2Very high84.9Confident87 Ų8784.9 Ų84.953%0.53449%0.491SS..EExtended strand (participates in β ladder)trans-115.1141.7170.654.90000111.3Y164 Y165 E166Y164-T185 HydrophobicContact CE2-CG2 4.39Å; Y165-T185 CarbonylContact O-C 3.57Å; Y165-T185 WeakPolarHBondContact O-CA 3.38Å; E166-T185 HydrophobicContact CB-CG2 4.42Å; E166-T185 HydrophobicContact CG-CG2 4.37Å
186T95.3Very high85.7Confident15 Ų1578 Ų789%0.09246%0.455CS..EExtended strand (participates in β ladder)trans-149.4146.9178.1-171.80000111.9Y164 Y165 I167 V188 L191Y164-T186 CarbonylContact C-O 3.45Å; Y164-T186 WeakPolarHBondContact CB-O 3.37Å; Y165-T186 PolarHBondContact N-O 3.26Å; Y165-T186 PolarHBondContact O-N 2.96Å; I167-T186 HydrophobicContact CD1-CG2 3.6Å; T186-V188 WeakPolarHBondContact OG1-CG2 2.77Å; T186-V188 PolarHBondContact OG1-N 2.86Å; T186-L191 HydrophobicContact CG2-CD2 4.01Å
187D93.3Very high86.9Confident90 Ų9079.8 Ų79.848%0.48144%0.444SS..SBendtrans-102.9-1.7173.963.6-22.5000113.3K157K157-D187 PolarHBondContact NZ-O 2.55Å; K157-D187 VanDerWaalsContact NZ-O 3.11Å
188V94.4Very high88Confident70 Ų7074.7 Ų74.742%0.42443%0.429SS..SBendtrans-93.9154.3174.5-60.10000111.7T186 I190T186-V188 WeakPolarHBondContact OG1-CG2 2.77Å; T186-V188 PolarHBondContact OG1-N 2.86Å; V188-I190 WeakPolarHBondContact CG2-O 3.15Å
189T94.4Very high89.1Confident48 Ų4877.6 Ų77.629%0.29442%0.416SS..SBendtrans-92-14-177.448.80000113.6I145 D147 Y165I145-T189 PolarHBondContact N-O 2.73Å; I145-T189 VanDerWaalsContact O-CB 3.32Å; I145-T189 WeakPolarHBondContact O-CB 3.31Å; D147-T189 WeakPolarHBondContact OD1-CG2 3.49Å; Y165-T189 HydrophobicContact CE2-CG2 4.42Å
190I94.6Very high89.7Confident99 Ų9976.3 Ų76.351%0.50841%0.406SS..EExtended strand (participates in β ladder)trans-127.7124.8178.1-53.7178.4000107I143 F144 V188I143-I190 WeakPolarHBondContact O-CA 3.41Å; F144-I190 HydrophobicContact CD1-CD1 4.11Å; F144-I190 HydrophobicContact CD1-CG1 3.95Å; F144-I190 HydrophobicContact CD1-CG2 3.94Å; F144-I190 HydrophobicContact CE1-CD1 4.31Å; F144-I190 HydrophobicContact CE1-CG1 4.46Å; F144-I190 HydrophobicContact CE1-CG2 3.81Å; V188-I190 WeakPolarHBondContact CG2-O 3.15Å
191L93.9Very high90.1Very high16 Ų1675.5 Ų75.58%0.08439%0.394CS..EExtended strand (participates in β ladder)trans-138.1157.2173.975.8112.6000110.6D142 I143 I145 I167 T186 L193D142-L191 CarbonylContact C-O 3.43Å; D142-L191 WeakPolarHBondContact CA-O 3.43Å; I143-L191 HydrophobicContact CB-CD1 4.46Å; I143-L191 HydrophobicContact CB-CD2 3.91Å; I143-L191 HydrophobicContact CB-CG 3.9Å; I143-L191 HydrophobicContact CD1-CD1 4Å; I143-L191 HydrophobicContact CD1-CD2 4.33Å; I143-L191 HydrophobicContact CD1-CG 4.33Å; I143-L191 HydrophobicContact CG1-CD1 4.23Å; I143-L191 HydrophobicContact CG1-CD2 4.48Å; I143-L191 HydrophobicContact CG1-CG 4.22Å; I143-L191 HydrophobicContact CG2-CD2 4.38Å; I143-L191 PolarHBondContact N-O 3.19Å; I143-L191 PolarHBondContact O-N 2.98Å; I143-L191 VanDerWaalsContact O-N 3.11Å; I145-L191 HydrophobicContact CD1-CD2 4.22Å; I167-L191 HydrophobicContact CD1-CD2 3.18Å; I167-L191 HydrophobicContact CD1-CG 4.46Å; T186-L191 HydrophobicContact CG2-CD2 4.01Å; L191-L193 HydrophobicContact CD1-CD2 3.46Å; L191-L193 VanDerWaalsContact CD1-CD2 3.46Å; L191-L193 HydrophobicContact CD1-CG 3.79Å
192T92.7Very high90.2Very high71 Ų7171.1 Ų71.144%0.43637%0.371SS..EExtended strand (participates in β ladder)trans-122.7123.4177.3-58.60000108.5T140 D142T140-T192 HydrophobicContact CG2-CG2 4.22Å; D142-T192 VanDerWaalsContact OD1-CB 3.31Å; D142-T192 WeakPolarHBondContact OD1-CB 3.45Å; D142-T192 WeakPolarHBondContact OD1-CG2 3.4Å; D142-T192 PolarHBondContact OD1-OG1 3.1Å
193L90.3Very high90.3Very high16 Ų1668.5 Ų68.58%0.08436%0.358CS..EExtended strand (participates in β ladder)trans-89.9109.9170-58-179.6000108.2T140 L141 I143 Y169 L191 V196T140-L193 WeakPolarHBondContact CA-O 3.25Å; L141-L193 HydrophobicContact CB-CB 4.25Å; L141-L193 HydrophobicContact CD2-CD1 4.19Å; L141-L193 PolarHBondContact N-O 3.26Å; L141-L193 PolarHBondContact O-N 2.89Å; I143-L193 HydrophobicContact CD1-CD1 3.83Å; I143-L193 HydrophobicContact CD1-CG 4.22Å; Y169-L193 HydrophobicContact CD1-CD1 4.2Å; Y169-L193 HydrophobicContact CD2-CD1 4.21Å; Y169-L193 HydrophobicContact CE1-CD1 4.27Å; Y169-L193 HydrophobicContact CE1-CD2 4.47Å; Y169-L193 HydrophobicContact CE2-CD1 4.28Å; Y169-L193 HydrophobicContact CG-CD1 4.17Å; L191-L193 HydrophobicContact CD1-CD2 3.46Å; L191-L193 VanDerWaalsContact CD1-CD2 3.46Å; L191-L193 HydrophobicContact CD1-CG 3.79Å; L193-V196 HydrophobicContact CB-CG1 4.02Å
194S83.6Confident90.3Very high84 Ų8464.7 Ų64.759%0.58734%0.335SS*.  trans-91.4-15.5-176.2-54.80000114.2
195E77.6Confident90.4Very high188 Ų18863.1 Ų63.188%0.87933%0.326SS*.  trans-102.846.6-176.1-62.9-178.3-179.500111.3
196V84.8Confident90.5Very high11 Ų1159 Ų597%0.06730%0.301CS..  trans-104.6139.5177.6-65.10000111S139 L141 L193 Y202 T227S139-V196 WeakPolarHBondContact O-CG2 3.42Å; L141-V196 HydrophobicContact CB-CG1 4.17Å; L141-V196 HydrophobicContact CB-CG2 4.23Å; L193-V196 HydrophobicContact CB-CG1 4.02Å; V196-Y202 HydrophobicContact CB-CD2 4.36Å; V196-Y202 HydrophobicContact CB-CE2 3.77Å; V196-Y202 HydrophobicContact CG1-CE2 4.22Å; V196-T227 HydrophobicContact CB-CG2 4.18Å; V196-T227 HydrophobicContact CG2-CG2 3.88Å
197E84.2Confident90.6Very high107 Ų10760.6 Ų60.650%0.531%0.305SS..  trans-71.2144.5179.6-66.9-166.1163.800111.4T200 Y202 T227E197-T200 WeakPolarHBondContact CB-OG1 3.05Å; E197-Y202 WeakPolarHBondContact CB-OH 3.04Å; E197-Y202 PolarHBondContact N-OH 2.99Å; E197-T227 WeakPolarHBondContact O-CB 3.39Å; E197-T227 PolarHBondContact O-OG1 2.57Å
198P85.4Confident90.8Very high69 Ų6956.3 Ų56.345%0.44828%0.283SS..THydrogen-bonded Turntrans-73.5144.4177.329.7-33.5000111.6T200 G229P198-T200 PolarHBondContact O-N 2.86Å; P198-T200 PolarHBondContact O-OG1 3.45Å; P198-G229 VanDerWaalsContact CB-CA 3.49Å
199W83.9Confident90.9Very high140 Ų14055 Ų5553%0.5327%0.27SS..THydrogen-bonded Turntrans66.213.5179.6-53.6102.5000115.3Q226 T227 G229 V231W199-Q226 PolarHBondContact O-NE2 2.85Å; W199-T227 WeakPolarHBondContact CA-O 3.29Å; W199-T227 PolarHBondContact N-O 3.16Å; W199-T227 PolarHBondContact N-OG1 2.8Å; W199-G229 VanDerWaalsContact CE2-O 3.25Å; W199-G229 WeakPolarHBondContact CZ2-O 3.45Å; W199-G229 PolarHBondContact NE1-O 2.83Å; W199-V231 HydrophobicContact CZ2-CG2 4.04Å
200T87.3Confident90.9Very high16 Ų1652.7 Ų52.710%0.09826%0.256CS..  trans-101.5139.8-174.3-61.70000110.7E171 E197 P198 Y202 T227E171-T200 HydrophobicContact CB-CG2 4.13Å; E171-T200 HydrophobicContact CG-CG2 3.38Å; E171-T200 WeakPolarHBondContact OE1-CG2 3.31Å; E197-T200 WeakPolarHBondContact CB-OG1 3.05Å; P198-T200 PolarHBondContact O-N 2.86Å; P198-T200 PolarHBondContact O-OG1 3.45Å; T200-Y202 HydrophobicContact CG2-CD2 4.12Å; T200-Y202 HydrophobicContact CG2-CE2 3.6Å; T200-T227 PolarHBondContact N-OG1 3.1Å; T200-T227 PolarHBondContact O-N 3.42Å; T200-T227 PolarHBondContact O-OG1 3.42Å
201R90.5Very high90.7Very high131 Ų13152.2 Ų52.249%0.49425%0.254SS..EExtended strand (participates in β ladder)trans-85.9120176.7-171.9175.2179.4124.92.3109.2E171 Q172 T225E171-R201 CarbonylContact C-O 3.56Å; Q172-R201 HydrophobicContact CB-CB 4.34Å; Q172-R201 HydrophobicContact CB-CG 4.24Å; Q172-R201 PolarHBondContact N-O 2.91Å; R201-T225 CarbonylContact C-O 3.59Å; R201-T225 WeakPolarHBondContact CA-O 3.22Å
202Y91.8Very high90.6Very high11 Ų1156.9 Ų56.94%0.04327%0.274CS..EExtended strand (participates in β ladder)trans-110.5140.6176.2-74.6-84000110.7W170 E171 V196 E197 T200 C224 T225 T227W170-Y202 WeakPolarHBondContact O-CA 3.33Å; E171-Y202 HydrophobicContact CB-CD1 4.29Å; E171-Y202 HydrophobicContact CB-CE1 3.93Å; V196-Y202 HydrophobicContact CB-CD2 4.36Å; V196-Y202 HydrophobicContact CB-CE2 3.77Å; V196-Y202 HydrophobicContact CG1-CE2 4.22Å; E197-Y202 WeakPolarHBondContact CB-OH 3.04Å; E197-Y202 PolarHBondContact N-OH 2.99Å; T200-Y202 HydrophobicContact CG2-CD2 4.12Å; T200-Y202 HydrophobicContact CG2-CE2 3.6Å; Y202-C224 CarbonylContact O-C 3.52Å; Y202-C224 WeakPolarHBondContact O-CA 3.22Å; Y202-C224 WeakPolarHBondContact O-CB 3.48Å; Y202-T225 PolarHBondContact N-O 2.79Å; Y202-T225 PolarHBondContact O-N 3.04Å; Y202-T227 HydrophobicContact CD2-CG2 3.69Å; Y202-T227 HydrophobicContact CE2-CG2 3.96Å
203C93.6Very high90.6Very high4 Ų457.9 Ų57.93%0.02727%0.271CS..EExtended strand (participates in β ladder)trans-114143.4171.2-65.10000110.1Y169 W170 Q172 L223 C224Y169-C203 WeakPolarHBondContact CA-O 3.36Å; Y169-C203 WeakPolarHBondContact CB-O 3.45Å; W170-C203 HydrophobicContact CD2-CB 4.1Å; W170-C203 HydrophobicContact CH2-CB 4.18Å; W170-C203 HydrophobicContact CZ2-CB 3.57Å; W170-C203 PolarHBondContact N-O 3.17Å; W170-C203 PolarHBondContact O-N 2.78Å; Q172-C203 PolarHBondContact OE1-SG 3.08Å; C203-L223 CarbonylContact C-O 3.57Å; C203-L223 WeakPolarHBondContact CA-O 3.43Å; C203-C224 HydrophobicContact CB-CB 4.08Å; C203-C224 WeakPolarHBondContact CB-SG 3.43Å; C203-C224 WeakPolarHBondContact SG-CB 3.46Å; C203-C224 CovalentContact SG-SG 2.04Å; C203-C224 PolarHBondContact SG-SG 2.93Å
204V94.7Very high90.7Very high2 Ų262.7 Ų62.71%0.01230%0.296CS..EExtended strand (participates in β ladder)trans-130.8135.9-177.8-174.50000110L134 L141 I143 I167 V168 I206 P222 L223L134-V204 HydrophobicContact CD1-CG2 4.17Å; L134-V204 HydrophobicContact CD2-CB 4.44Å; L134-V204 HydrophobicContact CD2-CG2 4.11Å; L141-V204 HydrophobicContact CD2-CG2 4.31Å; I143-V204 HydrophobicContact CD1-CG1 4.07Å; I143-V204 HydrophobicContact CD1-CG2 4.3Å; I167-V204 HydrophobicContact CG2-CG1 3.72Å; V168-V204 CarbonylContact O-C 3.55Å; V168-V204 WeakPolarHBondContact O-CA 3.32Å; V204-I206 HydrophobicContact CG1-CD1 4.18Å; V204-I206 HydrophobicContact CG1-CG1 3.86Å; V204-P222 WeakPolarHBondContact O-CA 3.19Å; V204-L223 PolarHBondContact N-O 3.19Å; V204-L223 PolarHBondContact O-N 2.71Å
205Q96.2Very high91.2Very high50 Ų5059.5 Ų59.523%0.23427%0.272CS..EExtended strand (participates in β ladder)trans-124.7140.9167.1-73.2-179.3-24.800109.7V168 W170 F219 P222V168-Q205 PolarHBondContact N-O 3.3Å; V168-Q205 PolarHBondContact O-N 3.01Å; W170-Q205 HydrophobicContact CH2-CG 3.72Å; W170-Q205 HydrophobicContact CZ3-CB 4.27Å; W170-Q205 HydrophobicContact CZ3-CG 3.97Å; Q205-F219 HydrophobicContact CB-CB 4.34Å; Q205-F219 HydrophobicContact CB-CD1 3.86Å; Q205-F219 HydrophobicContact CB-CG 4.38Å; Q205-P222 HydrophobicContact CG-CB 3.85Å
206I97.5Very high92.1Very high0 Ų053.5 Ų53.50%025%0.251CS..EExtended strand (participates in β ladder)trans-131.2139.5-176.5-48.7-176000108.6P129 V132 I143 I145 Y165 E166 I167 V204 T220P129-I206 HydrophobicContact CG-CB 4.29Å; P129-I206 HydrophobicContact CG-CG2 3.83Å; V132-I206 HydrophobicContact CB-CD1 4.48Å; V132-I206 HydrophobicContact CG1-CD1 3.65Å; V132-I206 HydrophobicContact CG2-CD1 3.92Å; V132-I206 HydrophobicContact CG2-CG1 4.49Å; I143-I206 HydrophobicContact CG2-CD1 3.67Å; I145-I206 HydrophobicContact CD1-CD1 3.84Å; I145-I206 HydrophobicContact CD1-CG2 4.29Å; I145-I206 HydrophobicContact CG1-CD1 3.83Å; Y165-I206 HydrophobicContact CD1-CG2 4.25Å; Y165-I206 HydrophobicContact CG-CG2 4.42Å; E166-I206 WeakPolarHBondContact O-CA 3.44Å; I167-I206 HydrophobicContact CG1-CD1 4.25Å; I167-I206 HydrophobicContact CG1-CG1 4.11Å; I167-I206 HydrophobicContact CG1-CG2 3.94Å; I167-I206 HydrophobicContact CG2-CG1 4.29Å; V204-I206 HydrophobicContact CG1-CD1 4.18Å; V204-I206 HydrophobicContact CG1-CG1 3.86Å; I206-T220 PolarHBondContact N-OG1 2.95Å; I206-T220 WeakPolarHBondContact O-CG2 3.33Å; I206-T220 PolarHBondContact O-N 3.18Å; I206-T220 PolarHBondContact O-OG1 3.34Å
207R97.5Very high92.7Very high49 Ų4953.3 Ų53.319%0.18525%0.25CS..EExtended strand (participates in β ladder)trans-128.7147.8166.767.2176.9171.5-162.4-13110.8Y165 E166 F219Y165-R207 WeakPolarHBondContact CA-O 3.32Å; E166-R207 HydrophobicContact CB-CG 3.94Å; E166-R207 VanDerWaalsContact CD-NE 3.34Å; E166-R207 PolarHBondContact N-O 2.81Å; E166-R207 PolarHBondContact O-N 3.21Å; E166-R207 IonicContact OE1-CZ 3.63Å; E166-R207 IonicContact OE1-NE 3.72Å; E166-R207 IonicContact OE1-NH2 2.75Å; E166-R207 PolarHBondContact OE1-NH2 3.18Å; E166-R207 IonicContact OE2-CZ 3.08Å; E166-R207 IonicContact OE2-NE 2.67Å; E166-R207 PolarHBondContact OE2-NE 2.62Å; E166-R207 IonicContact OE2-NH2 2.78Å; E166-R207 PolarHBondContact OE2-NH2 2.89Å; R207-F219 HydrophobicContact CB-CD1 3.85Å; R207-F219 HydrophobicContact CB-CE1 4.03Å; R207-F219 HydrophobicContact CB-CG 4.25Å; R207-F219 HydrophobicContact CG-CD1 4.01Å; R207-F219 HydrophobicContact CG-CE1 3.64Å; R207-F219 HydrophobicContact CG-CE2 4.5Å; R207-F219 HydrophobicContact CG-CZ 3.93Å
208S97.8Very high93.3Very high0 Ų053.2 Ų53.20%026%0.257CS..EExtended strand (participates in β ladder)trans-81.1142.8170.1-63.50000111.7G127 P129 P148 Y165 S217G127-S208 WeakPolarHBondContact O-CB 3.44Å; P129-S208 WeakPolarHBondContact CD-OG 3.13Å; P148-S208 WeakPolarHBondContact CG-OG 3.45Å; Y165-S208 VanDerWaalsContact CE1-OG 3.32Å; Y165-S208 WeakPolarHBondContact CE1-OG 3.45Å; S208-S217 WeakPolarHBondContact CA-OG 3.5Å; S208-S217 WeakPolarHBondContact CB-OG 3.47Å; S208-S217 PolarHBondContact N-OG 3.06Å; S208-S217 PolarHBondContact O-N 3.25Å; S208-S217 PolarHBondContact O-OG 2.04Å; S208-S217 VanDerWaalsContact O-OG 3.05Å
209R96.7Very high93.9Very high42 Ų4253.3 Ų53.316%0.15825%0.25CS..EExtended strand (participates in β ladder)trans-134.7148.5-179.6-70.6-71.7-164.9160.44.2110.8Y164 E166 K215 S216Y164-R209 HydrophobicContact CD1-CB 4.1Å; Y164-R209 HydrophobicContact CD2-CB 3.82Å; Y164-R209 HydrophobicContact CD2-CG 4.46Å; Y164-R209 HydrophobicContact CE1-CB 3.67Å; Y164-R209 HydrophobicContact CE2-CB 3.36Å; Y164-R209 HydrophobicContact CE2-CG 3.82Å; Y164-R209 HydrophobicContact CG-CB 4.17Å; Y164-R209 PolarHBondContact N-O 2.74Å; Y164-R209 PolarHBondContact O-N 3.2Å; E166-R209 HydrophobicContact CB-CG 4.28Å; E166-R209 IonicContact OE2-CZ 3.54Å; E166-R209 IonicContact OE2-NE 3.03Å; E166-R209 PolarHBondContact OE2-NE 3.11Å; E166-R209 IonicContact OE2-NH2 3.17Å; E166-R209 PolarHBondContact OE2-NH2 2.76Å; R209-K215 WeakPolarHBondContact CA-O 3.25Å; R209-S216 VanDerWaalsContact NH1-CB 3.29Å
210D94.7Very high94.5Very high1 Ų147.3 Ų47.31%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-143129.5167.5173.691.5000109.2K162 F212 N214 K215K162-D210 PolarHBondContact N-OD1 2.76Å; D210-F212 WeakPolarHBondContact OD2-CB 3.32Å; D210-F212 PolarHBondContact OD2-N 3.04Å; D210-N214 CarbonylContact O-C 3.57Å; D210-N214 VanDerWaalsContact O-CA 3.25Å; D210-N214 WeakPolarHBondContact O-CA 3.3Å; D210-N214 PolarHBondContact O-N 2.81Å; D210-K215 HydrophobicContact CB-CB 4.43Å; D210-K215 PolarHBondContact N-O 3.27Å; D210-K215 PolarHBondContact O-N 2.95Å
211D90.7Very high94.9Very high88 Ų8851.7 Ų51.747%0.47126%0.258SS..THydrogen-bonded Turntrans-81.2-21.6-172.3-67.5-29.6000113.5Y164 Y213 N214Y164-D211 VanDerWaalsContact CE1-CG 3.49Å; Y164-D211 VanDerWaalsContact CE1-OD1 3.26Å; Y164-D211 WeakPolarHBondContact CE1-OD1 3.31Å; Y164-D211 WeakPolarHBondContact CE1-OD2 3.11Å; Y164-D211 VanDerWaalsContact CZ-OD1 3.28Å; Y164-D211 PolarHBondContact OH-OD1 3Å; D211-Y213 PolarHBondContact O-N 3.39Å; D211-N214 PolarHBondContact O-N 2.73Å
212F91.4Very high95.1Very high115 Ų11548.9 Ų48.950%0.50426%0.257SS..THydrogen-bonded Turntrans-65.2-41.7-169.1-173.1-104.1000112.1H161 D210H161-F212 HydrophobicContact CB-CB 4.26Å; D210-F212 WeakPolarHBondContact OD2-CB 3.32Å; D210-F212 PolarHBondContact OD2-N 3.04Å
213Y92.3Very high95.2Very high92 Ų9251.6 Ų51.636%0.36127%0.271SS..THydrogen-bonded Turntrans-114.618.2168.7-69.1-68.2000113.2D121 K122 D211 K215D121-Y213 HydrophobicContact CB-CE2 4.34Å; D121-Y213 WeakPolarHBondContact O-CD2 3.06Å; D121-Y213 WeakPolarHBondContact O-CE2 3.38Å; D121-Y213 WeakPolarHBondContact OD2-CE2 3.5Å; K122-Y213 HydrophobicContact CB-CD1 4.38Å; K122-Y213 HydrophobicContact CB-CD2 4.43Å; K122-Y213 HydrophobicContact CB-CE1 3.97Å; K122-Y213 HydrophobicContact CB-CE2 4.01Å; K122-Y213 HydrophobicContact CD-CE1 4.19Å; K122-Y213 HydrophobicContact CG-CD1 3.91Å; K122-Y213 HydrophobicContact CG-CE1 3.68Å; K122-Y213 HydrophobicContact CG-CG 4.45Å; D211-Y213 PolarHBondContact O-N 3.39Å; Y213-K215 VanDerWaalsContact C-N 3.26Å; Y213-K215 PolarHBondContact O-N 2.77Å
214N92.9Very high95.2Very high116 Ų11653.3 Ų53.362%0.6228%0.283SS*.THydrogen-bonded Turntrans4947.1-176.4-168.923.5000112.5D210 D211D210-N214 CarbonylContact O-C 3.57Å; D210-N214 VanDerWaalsContact O-CA 3.25Å; D210-N214 WeakPolarHBondContact O-CA 3.3Å; D210-N214 PolarHBondContact O-N 2.81Å; D211-N214 PolarHBondContact O-N 2.73Å
215K94.1Very high95.1Very high18 Ų1855 Ų558%0.07829%0.294CS..EExtended strand (participates in β ladder)trans-80138.7179.6-62.3-179.6-169.9-82.90109.6D121 K122 A124 I126 R209 D210 Y213D121-K215 WeakPolarHBondContact O-CE 3.49Å; D121-K215 PolarHBondContact O-NZ 2.9Å; K122-K215 VanDerWaalsContact C-NZ 3.26Å; K122-K215 PolarHBondContact O-NZ 2.86Å; A124-K215 PolarHBondContact O-NZ 2.84Å; I126-K215 HydrophobicContact CG2-CB 3.79Å; R209-K215 WeakPolarHBondContact CA-O 3.25Å; D210-K215 HydrophobicContact CB-CB 4.43Å; D210-K215 PolarHBondContact N-O 3.27Å; D210-K215 PolarHBondContact O-N 2.95Å; Y213-K215 VanDerWaalsContact C-N 3.26Å; Y213-K215 PolarHBondContact O-N 2.77Å
216S96.1Very high94.8Very high61 Ų6158 Ų5843%0.42731%0.308SS..EExtended strand (participates in β ladder)trans-138130.8171.763.90000110.5R209R209-S216 VanDerWaalsContact NH1-CB 3.29Å
217S97.6Very high94.4Very high8 Ų858.1 Ų58.16%0.05631%0.308CS..PPolyproline II helixtrans-76.4166169.159.50000111.7I126 G127 P128 S208I126-S217 WeakPolarHBondContact O-CA 3.47Å; I126-S217 WeakPolarHBondContact O-CB 3.21Å; G127-S217 WeakPolarHBondContact O-CB 3.32Å; P128-S217 VanDerWaalsContact N-CB 3.32Å; S208-S217 WeakPolarHBondContact CA-OG 3.5Å; S208-S217 WeakPolarHBondContact CB-OG 3.47Å; S208-S217 PolarHBondContact N-OG 3.06Å; S208-S217 PolarHBondContact O-N 3.25Å; S208-S217 PolarHBondContact O-OG 2.04Å; S208-S217 VanDerWaalsContact O-OG 3.05Å
218T97.3Very high93.8Very high105 Ų10561.5 Ų61.564%0.64433%0.326SS*.PPolyproline II helixtrans-63.4158.8162.352.70000110.4P128P128-T218 WeakPolarHBondContact CB-O 3.46Å
219F97.2Very high92.6Very high71 Ų7162.1 Ų62.131%0.31133%0.333SS..PPolyproline II helixtrans-69.6147.2171.9-77.7-79000111.2V168 Q205 R207V168-F219 HydrophobicContact CB-CE1 4.33Å; V168-F219 HydrophobicContact CG2-CE1 3.7Å; V168-F219 HydrophobicContact CG2-CZ 3.87Å; Q205-F219 HydrophobicContact CB-CB 4.34Å; Q205-F219 HydrophobicContact CB-CD1 3.86Å; Q205-F219 HydrophobicContact CB-CG 4.38Å; R207-F219 HydrophobicContact CB-CD1 3.85Å; R207-F219 HydrophobicContact CB-CE1 4.03Å; R207-F219 HydrophobicContact CB-CG 4.25Å; R207-F219 HydrophobicContact CG-CD1 4.01Å; R207-F219 HydrophobicContact CG-CE1 3.64Å; R207-F219 HydrophobicContact CG-CE2 4.5Å; R207-F219 HydrophobicContact CG-CZ 3.93Å
220T97.6Very high91.4Very high14 Ų1465.9 Ų65.99%0.08636%0.36CS..PPolyproline II helixtrans-60.6153.5163.1580000110P128 P129 V132 I206P128-T220 HydrophobicContact CB-CG2 3.89Å; P129-T220 HydrophobicContact CG-CG2 4.42Å; V132-T220 HydrophobicContact CG2-CG2 4.11Å; I206-T220 PolarHBondContact N-OG1 2.95Å; I206-T220 WeakPolarHBondContact O-CG2 3.33Å; I206-T220 PolarHBondContact O-N 3.18Å; I206-T220 PolarHBondContact O-OG1 3.34Å
221P95.5Very high90.5Very high108 Ų10868.6 Ų68.670%0.70138%0.377SS*.PPolyproline II helixtrans-50.8145164.9-24.934.7000110.9L223P221-L223 PolarHBondContact O-N 3.36Å
222P94.4Very high90Very high72 Ų7267 Ų6747%0.46837%0.371SS..PPolyproline II helixtrans-64.2126179.726.9-31000109.8W170 V204 Q205W170-P222 HydrophobicContact CH2-CB 4.04Å; W170-P222 HydrophobicContact CZ2-CB 4.24Å; V204-P222 WeakPolarHBondContact O-CA 3.19Å; Q205-P222 HydrophobicContact CG-CB 3.85Å
223L94.6Very high89.6Confident67 Ų6771.6 Ų71.635%0.35139%0.385SS..EExtended strand (participates in β ladder)trans-106.6122.5174.2-177.258.2000108.5V132 L134 C203 V204 P221V132-L223 HydrophobicContact CG1-CD2 4.27Å; L134-L223 HydrophobicContact CD1-CB 4.26Å; L134-L223 HydrophobicContact CD1-CD2 4.11Å; L134-L223 HydrophobicContact CD1-CG 3.76Å; L134-L223 WeakPolarHBondContact CD1-O 3.38Å; L134-L223 HydrophobicContact CG-CD2 3.73Å; L134-L223 HydrophobicContact CG-CG 3.98Å; C203-L223 CarbonylContact C-O 3.57Å; C203-L223 WeakPolarHBondContact CA-O 3.43Å; V204-L223 PolarHBondContact N-O 3.19Å; V204-L223 PolarHBondContact O-N 2.71Å; P221-L223 PolarHBondContact O-N 3.36Å
224C93.4Very high89.3Confident41 Ų4175 Ų7528%0.27740%0.397SS..EExtended strand (participates in β ladder)trans-115.8142.8-176.4-46.50000111.7Y202 C203Y202-C224 CarbonylContact O-C 3.52Å; Y202-C224 WeakPolarHBondContact O-CA 3.22Å; Y202-C224 WeakPolarHBondContact O-CB 3.48Å; C203-C224 HydrophobicContact CB-CB 4.08Å; C203-C224 WeakPolarHBondContact CB-SG 3.43Å; C203-C224 WeakPolarHBondContact SG-CB 3.46Å; C203-C224 CovalentContact SG-SG 2.04Å; C203-C224 PolarHBondContact SG-SG 2.93Å
225T92.4Very high89Confident38 Ų3873.9 Ų73.923%0.23339%0.387CS..EExtended strand (participates in β ladder)trans-141.3156.4173.9-165.80000110.2L134 V136 L141 R201 Y202L134-T225 HydrophobicContact CB-CG2 4.07Å; L134-T225 HydrophobicContact CD1-CG2 3.82Å; V136-T225 HydrophobicContact CG2-CG2 3.7Å; L141-T225 HydrophobicContact CD1-CG2 3.45Å; L141-T225 VanDerWaalsContact CD1-CG2 3.45Å; R201-T225 CarbonylContact C-O 3.59Å; R201-T225 WeakPolarHBondContact CA-O 3.22Å; Y202-T225 PolarHBondContact N-O 2.79Å; Y202-T225 PolarHBondContact O-N 3.04Å
226Q89.9Confident88.8Confident113 Ų11377 Ų7753%0.52840%0.403SS..EExtended strand (participates in β ladder)trans-97.7132.1172.9-171.6168.319.300109.4W199W199-Q226 PolarHBondContact O-NE2 2.85Å
227T88.5Confident88.7Confident2 Ų280.5 Ų80.51%0.01241%0.411CS..PPolyproline II helixtrans-74.4148.1175.852.80000111V196 E197 W199 T200 Y202V196-T227 HydrophobicContact CB-CG2 4.18Å; V196-T227 HydrophobicContact CG2-CG2 3.88Å; E197-T227 WeakPolarHBondContact O-CB 3.39Å; E197-T227 PolarHBondContact O-OG1 2.57Å; W199-T227 WeakPolarHBondContact CA-O 3.29Å; W199-T227 PolarHBondContact N-O 3.16Å; W199-T227 PolarHBondContact N-OG1 2.8Å; T200-T227 PolarHBondContact N-OG1 3.1Å; T200-T227 PolarHBondContact O-N 3.42Å; T200-T227 PolarHBondContact O-OG1 3.42Å; Y202-T227 HydrophobicContact CD2-CG2 3.69Å; Y202-T227 HydrophobicContact CE2-CG2 3.96Å
228E83.9Confident88.5Confident120 Ų12084.2 Ų84.256%0.56143%0.43SS*.PPolyproline II helixtrans-91.8128.4176.1-68.3-173.8167.200109.4V136 G138V136-E228 HydrophobicContact CG1-CB 4.07Å; V136-E228 HydrophobicContact CG1-CG 3.94Å; G138-E228 CarbonylContact C-O 2.92Å; G138-E228 WeakPolarHBondContact CA-O 3.47Å
229G73.4Confident88.4Confident13 Ų1385.6 Ų85.613%0.13443%0.427CS..  trans-109.7139.7177.100000111.7P198 W199 V231P198-G229 VanDerWaalsContact CB-CA 3.49Å; W199-G229 VanDerWaalsContact CE2-O 3.25Å; W199-G229 WeakPolarHBondContact CZ2-O 3.45Å; W199-G229 PolarHBondContact NE1-O 2.83Å; G229-V231 PolarHBondContact O-N 2.86Å
230V72.4Confident88.3Confident120 Ų12088.8 Ų88.873%0.72744%0.441SS*.PPolyproline II helixtrans-73.5124.2158.1-175.70000106.9P232V230-P232 WeakPolarHBondContact O-CD 3.41Å
231V74.1Confident88.3Confident59 Ų5991.9 Ų91.936%0.35846%0.457SS..PPolyproline II helixtrans-58.4126.6174.9-177.70000107.8W199 G229 W233 K235 I236W199-V231 HydrophobicContact CZ2-CG2 4.04Å; G229-V231 PolarHBondContact O-N 2.86Å; V231-W233 PolarHBondContact O-N 3.25Å; V231-K235 HydrophobicContact CG1-CB 4Å; V231-I236 HydrophobicContact CB-CD1 4.24Å; V231-I236 HydrophobicContact CB-CG1 4.14Å; V231-I236 HydrophobicContact CG1-CG1 3.87Å
232P80.5Confident88.3Confident53 Ų5392.4 Ų92.434%0.34445%0.453SS..PPolyproline II helixtrans-55.4133.8-178.6-25.532.7000111.2V230 W234 K235 I236V230-P232 WeakPolarHBondContact O-CD 3.41Å; P232-W234 HydrophobicContact CB-CD2 4.5Å; P232-W234 HydrophobicContact CB-CG 4.17Å; P232-W234 PolarHBondContact O-N 2.81Å; P232-K235 WeakPolarHBondContact O-CB 3.37Å; P232-K235 PolarHBondContact O-N 2.95Å; P232-I236 PolarHBondContact O-N 2.9Å
233W82.9Confident88.5Confident212 Ų21292.7 Ų92.780%0.80346%0.457SS*.Hα-helixtrans-53.1-34.1-177.3-74.188.2000113.3V231 K235 I236 F237V231-W233 PolarHBondContact O-N 3.25Å; W233-K235 VanDerWaalsContact C-N 3.33Å; W233-K235 PolarHBondContact O-N 3.47Å; W233-I236 PolarHBondContact O-N 2.93Å; W233-F237 WeakPolarHBondContact O-CB 3.34Å; W233-F237 PolarHBondContact O-N 3.44Å
234W86.4Confident88.6Confident165 Ų16594.1 Ų94.163%0.62546%0.464SS*.Hα-helixtrans-64.3-34.9176.567.6-93.9000113P232 L238P232-W234 HydrophobicContact CB-CD2 4.5Å; P232-W234 HydrophobicContact CB-CG 4.17Å; P232-W234 PolarHBondContact O-N 2.81Å; W234-L238 WeakPolarHBondContact O-CB 3.3Å; W234-L238 PolarHBondContact O-N 2.69Å
235K87.3Confident88.8Confident92 Ų9295.6 Ų95.640%0.447%0.472SS..Hα-helixtrans-69.3-43.4173.7-74.4-160.1177.5-178.40110.8V231 P232 W233 F237 L238 F239V231-K235 HydrophobicContact CG1-CB 4Å; P232-K235 WeakPolarHBondContact O-CB 3.37Å; P232-K235 PolarHBondContact O-N 2.95Å; W233-K235 VanDerWaalsContact C-N 3.33Å; W233-K235 PolarHBondContact O-N 3.47Å; K235-F237 VanDerWaalsContact C-N 3.34Å; K235-F237 PolarHBondContact O-N 3.24Å; K235-L238 PolarHBondContact O-N 2.89Å; K235-F239 HydrophobicContact CB-CE2 4.31Å; K235-F239 WeakPolarHBondContact O-CD2 3.47Å; K235-F239 PolarHBondContact O-N 2.85Å
236I89.5Confident88.9Confident82 Ų8297.1 Ų97.142%0.42148%0.484SS..Hα-helixtrans-59.1-49175.9-58.2174.7000110V231 P232 W233 L238 F239 F240V231-I236 HydrophobicContact CB-CD1 4.24Å; V231-I236 HydrophobicContact CB-CG1 4.14Å; V231-I236 HydrophobicContact CG1-CG1 3.87Å; P232-I236 PolarHBondContact O-N 2.9Å; W233-I236 PolarHBondContact O-N 2.93Å; I236-L238 VanDerWaalsContact C-N 3.34Å; I236-L238 PolarHBondContact O-N 3.48Å; I236-F239 PolarHBondContact O-N 2.92Å; I236-F240 WeakPolarHBondContact O-CB 3.37Å; I236-F240 PolarHBondContact O-N 3.29Å
237F93.1Very high89.3Confident135 Ų13595.4 Ų95.459%0.59248%0.484SS*.Hα-helixtrans-60.6-42.5177.5-178.9-98.5000112.1W233 K235 F240 L241W233-F237 WeakPolarHBondContact O-CB 3.34Å; W233-F237 PolarHBondContact O-N 3.44Å; K235-F237 VanDerWaalsContact C-N 3.34Å; K235-F237 PolarHBondContact O-N 3.24Å; F237-F240 PolarHBondContact O-N 3.23Å; F237-L241 HydrophobicContact CE1-CD2 4.43Å; F237-L241 WeakPolarHBondContact O-CB 3.15Å; F237-L241 PolarHBondContact O-N 3.08Å
238L94.4Very high89.7Confident87 Ų87101.4 Ų101.446%0.45551%0.51SS..Hα-helixtrans-60.7-48.1176.5-178.867.3000111.6W234 K235 I236 F240 L241 L242W234-L238 WeakPolarHBondContact O-CB 3.3Å; W234-L238 PolarHBondContact O-N 2.69Å; K235-L238 PolarHBondContact O-N 2.89Å; I236-L238 VanDerWaalsContact C-N 3.34Å; I236-L238 PolarHBondContact O-N 3.48Å; L238-F240 VanDerWaalsContact C-N 3.34Å; L238-F240 PolarHBondContact O-N 3.46Å; L238-L241 PolarHBondContact O-N 2.9Å; L238-L242 WeakPolarHBondContact O-CB 3.12Å; L238-L242 PolarHBondContact O-N 3.03Å
239F94.3Very high90.3Very high134 Ų134100.3 Ų100.359%0.58851%0.507SS*.Hα-helixtrans-63.5-39.7177.2-72-57.3000112.2K235 I236 L242 S243K235-F239 HydrophobicContact CB-CE2 4.31Å; K235-F239 WeakPolarHBondContact O-CD2 3.47Å; K235-F239 PolarHBondContact O-N 2.85Å; I236-F239 PolarHBondContact O-N 2.92Å; F239-L242 PolarHBondContact O-N 3.21Å; F239-S243 WeakPolarHBondContact O-CB 3.33Å; F239-S243 PolarHBondContact O-N 2.79Å
240F95.9Very high91.4Very high137 Ų137102.9 Ų102.960%0.60152%0.52SS*.Hα-helixtrans-62.2-46.5175.2-179.3-99000111.9I236 F237 L238 S243 L244I236-F240 WeakPolarHBondContact O-CB 3.37Å; I236-F240 PolarHBondContact O-N 3.29Å; F237-F240 PolarHBondContact O-N 3.23Å; L238-F240 VanDerWaalsContact C-N 3.34Å; L238-F240 PolarHBondContact O-N 3.46Å; F240-S243 PolarHBondContact O-N 3.06Å; F240-L244 HydrophobicContact CE1-CD1 4.27Å; F240-L244 WeakPolarHBondContact O-CB 3.28Å; F240-L244 PolarHBondContact O-N 2.84Å
241L96.5Very high92.5Very high80 Ų80100.6 Ų100.642%0.41951%0.507SS..Hα-helixtrans-63.3-43.7177.8-17367.8000111.4F237 L238 S243 L244 V245F237-L241 HydrophobicContact CE1-CD2 4.43Å; F237-L241 WeakPolarHBondContact O-CB 3.15Å; F237-L241 PolarHBondContact O-N 3.08Å; L238-L241 PolarHBondContact O-N 2.9Å; L241-S243 VanDerWaalsContact C-N 3.32Å; L241-S243 PolarHBondContact O-N 3.35Å; L241-L244 PolarHBondContact O-N 2.91Å; L241-V245 WeakPolarHBondContact O-CG2 3.36Å; L241-V245 PolarHBondContact O-N 2.87Å
242L97Very high93.5Very high118 Ų118101.5 Ų101.562%0.61851%0.509SS*.Hα-helixtrans-61-42.9177.3-155.484.4000111.2L238 F239 S246L238-L242 WeakPolarHBondContact O-CB 3.12Å; L238-L242 PolarHBondContact O-N 3.03Å; F239-L242 PolarHBondContact O-N 3.21Å; L242-S246 WeakPolarHBondContact O-CB 3.42Å; L242-S246 PolarHBondContact O-N 2.76Å
243S97.1Very high94.3Very high79 Ų79104.8 Ų104.855%0.55252%0.523SS*.Hα-helixtrans-63.1-40.2175.3-173.60000112.2F239 F240 L241 S246 C247F239-S243 WeakPolarHBondContact O-CB 3.33Å; F239-S243 PolarHBondContact O-N 2.79Å; F240-S243 PolarHBondContact O-N 3.06Å; L241-S243 VanDerWaalsContact C-N 3.32Å; L241-S243 PolarHBondContact O-N 3.35Å; S243-S246 PolarHBondContact O-N 3.1Å; S243-C247 WeakPolarHBondContact O-CB 3.43Å; S243-C247 PolarHBondContact O-N 2.98Å
244L96.8Very high94.9Very high96 Ų96101.9 Ų101.950%0.50352%0.517SS..Hα-helixtrans-67.2-45.2179.3-170.6151.5000111.4F240 L241 C247 F248F240-L244 HydrophobicContact CE1-CD1 4.27Å; F240-L244 WeakPolarHBondContact O-CB 3.28Å; F240-L244 PolarHBondContact O-N 2.84Å; L241-L244 PolarHBondContact O-N 2.91Å; L244-C247 PolarHBondContact O-N 3.35Å; L244-F248 WeakPolarHBondContact O-CB 3.37Å; L244-F248 PolarHBondContact O-N 2.89Å
245V97.4Very high95.3Very high73 Ų7399 Ų9944%0.44251%0.513SS..Hα-helixtrans-62.3-44.5175.71740000110.6L241 C247 F248 L249L241-V245 WeakPolarHBondContact O-CG2 3.36Å; L241-V245 PolarHBondContact O-N 2.87Å; V245-C247 VanDerWaalsContact C-N 3.34Å; V245-C247 PolarHBondContact O-N 2.92Å; V245-F248 PolarHBondContact O-N 3.11Å; V245-L249 HydrophobicContact CG1-CD1 4.12Å; V245-L249 HydrophobicContact CG1-CG 4.41Å; V245-L249 WeakPolarHBondContact O-CG 3.48Å; V245-L249 PolarHBondContact O-N 2.94Å
246S96.5Very high95.6Very high70 Ų70101.9 Ų101.949%0.4952%0.522SS..Hα-helixtrans-58.5-45.1175.6-173.70000111.8L242 S243 L249 V250L242-S246 WeakPolarHBondContact O-CB 3.42Å; L242-S246 PolarHBondContact O-N 2.76Å; S243-S246 PolarHBondContact O-N 3.1Å; S246-L249 PolarHBondContact O-N 3.07Å; S246-V250 VanDerWaalsContact O-CG2 3.29Å; S246-V250 WeakPolarHBondContact O-CG2 3.4Å; S246-V250 PolarHBondContact O-N 2.85Å
247C97Very high95.7Very high77 Ų7799.7 Ų99.752%0.5252%0.52SS..Hα-helixtrans-62-45.2177.3-173.80000111.7S243 L244 V245 L249 V250 V251S243-C247 WeakPolarHBondContact O-CB 3.43Å; S243-C247 PolarHBondContact O-N 2.98Å; L244-C247 PolarHBondContact O-N 3.35Å; V245-C247 VanDerWaalsContact C-N 3.34Å; V245-C247 PolarHBondContact O-N 2.92Å; C247-L249 PolarHBondContact O-N 2.85Å; C247-V250 PolarHBondContact O-N 2.88Å; C247-V251 WeakPolarHBondContact O-CG2 3.5Å; C247-V251 PolarHBondContact O-N 3.44Å
248F96.6Very high95.6Very high127 Ų12796.5 Ų96.556%0.55751%0.514SS*.Hα-helixtrans-61.1-42.8178.1-176.9-104.2000112.5L244 V245 V251 L252L244-F248 WeakPolarHBondContact O-CB 3.37Å; L244-F248 PolarHBondContact O-N 2.89Å; V245-F248 PolarHBondContact O-N 3.11Å; F248-V251 PolarHBondContact O-N 2.85Å; F248-L252 HydrophobicContact CD1-CD1 3.7Å; F248-L252 HydrophobicContact CD1-CG 4.33Å; F248-L252 HydrophobicContact CE1-CD1 3.23Å; F248-L252 HydrophobicContact CE1-CG 3.98Å; F248-L252 HydrophobicContact CZ-CD1 3.74Å; F248-L252 HydrophobicContact CZ-CD2 4.39Å; F248-L252 HydrophobicContact CZ-CG 4.08Å; F248-L252 WeakPolarHBondContact O-CB 3.48Å; F248-L252 WeakPolarHBondContact O-CG 3.34Å; F248-L252 PolarHBondContact O-N 2.96Å
249L96.4Very high95.4Very high97 Ų9797.8 Ų97.851%0.50852%0.518SS..Hα-helixtrans-62.7-42.2175.7-70.7174.6000112V245 S246 C247 L252 L253V245-L249 HydrophobicContact CG1-CD1 4.12Å; V245-L249 HydrophobicContact CG1-CG 4.41Å; V245-L249 WeakPolarHBondContact O-CG 3.48Å; V245-L249 PolarHBondContact O-N 2.94Å; S246-L249 PolarHBondContact O-N 3.07Å; C247-L249 PolarHBondContact O-N 2.85Å; L249-L252 PolarHBondContact O-N 3.25Å; L249-L253 VanDerWaalsContact O-CG 3.3Å; L249-L253 WeakPolarHBondContact O-CG 3.36Å; L249-L253 PolarHBondContact O-N 2.93Å
250V96.8Very high95.1Very high67 Ų6796.1 Ų96.141%0.40651%0.512SS..Hα-helixtrans-62-45.2176.5170.90000110.9S246 C247 L253 F254S246-V250 VanDerWaalsContact O-CG2 3.29Å; S246-V250 WeakPolarHBondContact O-CG2 3.4Å; S246-V250 PolarHBondContact O-N 2.85Å; C247-V250 PolarHBondContact O-N 2.88Å; V250-L253 PolarHBondContact O-N 2.8Å; V250-F254 HydrophobicContact CG1-CD2 3.77Å; V250-F254 HydrophobicContact CG1-CE2 3.43Å; V250-F254 VanDerWaalsContact CG1-CE2 3.43Å; V250-F254 WeakPolarHBondContact O-CD2 3.41Å; V250-F254 PolarHBondContact O-N 2.87Å
251V96.6Very high94.6Very high73 Ų7393 Ų9344%0.44251%0.505SS..Hα-helixtrans-62.5-44.4176.51740000111.4C247 F248 L253 F254 L255C247-V251 WeakPolarHBondContact O-CG2 3.5Å; C247-V251 PolarHBondContact O-N 3.44Å; F248-V251 PolarHBondContact O-N 2.85Å; V251-L253 VanDerWaalsContact C-N 3.32Å; V251-L253 PolarHBondContact O-N 2.95Å; V251-F254 PolarHBondContact O-N 2.9Å; V251-F254 VanDerWaalsContact O-N 3.17Å; V251-L255 HydrophobicContact CG1-CD1 4.07Å; V251-L255 HydrophobicContact CG1-CG 4.31Å; V251-L255 WeakPolarHBondContact O-CG 3.42Å; V251-L255 PolarHBondContact O-N 3.4Å
252L95.5Very high94.2Very high78 Ų7895.5 Ų95.541%0.40851%0.513SS..Hα-helixtrans-60.1-40.6175.5-80.8176.3000112.3F248 L249 F254 L255 Y256F248-L252 HydrophobicContact CD1-CD1 3.7Å; F248-L252 HydrophobicContact CD1-CG 4.33Å; F248-L252 HydrophobicContact CE1-CD1 3.23Å; F248-L252 HydrophobicContact CE1-CG 3.98Å; F248-L252 HydrophobicContact CZ-CD1 3.74Å; F248-L252 HydrophobicContact CZ-CD2 4.39Å; F248-L252 HydrophobicContact CZ-CG 4.08Å; F248-L252 WeakPolarHBondContact O-CB 3.48Å; F248-L252 WeakPolarHBondContact O-CG 3.34Å; F248-L252 PolarHBondContact O-N 2.96Å; L249-L252 PolarHBondContact O-N 3.25Å; L252-F254 VanDerWaalsContact C-N 3.33Å; L252-F254 PolarHBondContact O-N 2.84Å; L252-L255 PolarHBondContact O-N 2.99Å; L252-Y256 VanDerWaalsContact O-CB 3.23Å; L252-Y256 WeakPolarHBondContact O-CB 3.38Å; L252-Y256 PolarHBondContact O-N 2.98Å
253L95.9Very high93.4Very high122 Ų12295.3 Ų95.364%0.63951%0.509SS*.Hα-helixtrans-62.6-39.6175.2-74.1169.3000111.7L249 V250 V251 G257L249-L253 VanDerWaalsContact O-CG 3.3Å; L249-L253 WeakPolarHBondContact O-CG 3.36Å; L249-L253 PolarHBondContact O-N 2.93Å; V250-L253 PolarHBondContact O-N 2.8Å; V251-L253 VanDerWaalsContact C-N 3.32Å; V251-L253 PolarHBondContact O-N 2.95Å; L253-G257 WeakPolarHBondContact O-CA 3.19Å; L253-G257 PolarHBondContact O-N 2.84Å
254F95.2Very high92.7Very high151 Ų15194.8 Ų94.866%0.66250%0.502SS*.Hα-helixtrans-67.7-42174.4-77.8-65.5000112.9V250 V251 L252 S258V250-F254 HydrophobicContact CG1-CD2 3.77Å; V250-F254 HydrophobicContact CG1-CE2 3.43Å; V250-F254 VanDerWaalsContact CG1-CE2 3.43Å; V250-F254 WeakPolarHBondContact O-CD2 3.41Å; V250-F254 PolarHBondContact O-N 2.87Å; V251-F254 PolarHBondContact O-N 2.9Å; V251-F254 VanDerWaalsContact O-N 3.17Å; L252-F254 VanDerWaalsContact C-N 3.33Å; L252-F254 PolarHBondContact O-N 2.84Å; F254-S258 VanDerWaalsContact O-CB 3.28Å; F254-S258 WeakPolarHBondContact O-CB 3.31Å; F254-S258 PolarHBondContact O-N 3.33Å; F254-S258 PolarHBondContact O-OG 3.23Å
255L94.9Very high91.9Very high105 Ų10592.7 Ų92.755%0.5550%0.495SS..Hα-helixtrans-65.9-44.2176.1-68.9177.4000111.6V251 L252 S258 H259V251-L255 HydrophobicContact CG1-CD1 4.07Å; V251-L255 HydrophobicContact CG1-CG 4.31Å; V251-L255 WeakPolarHBondContact O-CG 3.42Å; V251-L255 PolarHBondContact O-N 3.4Å; L252-L255 PolarHBondContact O-N 2.99Å; L255-S258 WeakPolarHBondContact CA-OG 3.21Å; L255-S258 PolarHBondContact O-OG 3.35Å; L255-H259 VanDerWaalsContact O-CB 3.26Å; L255-H259 WeakPolarHBondContact O-CB 3.5Å; L255-H259 PolarHBondContact O-N 3.4Å
256Y94Very high91Very high152 Ų15295.2 Ų95.260%0.59650%0.5SS*.Hα-helixtrans-65.9-44.7175.8179.3-100000111.3L252 S258 H259 H260L252-Y256 VanDerWaalsContact O-CB 3.23Å; L252-Y256 WeakPolarHBondContact O-CB 3.38Å; L252-Y256 PolarHBondContact O-N 2.98Å; Y256-S258 PolarHBondContact O-N 2.86Å; Y256-H259 PolarHBondContact O-N 3.33Å; Y256-H260 WeakPolarHBondContact O-CB 3.38Å; Y256-H260 PolarHBondContact O-N 3.25Å
257G92Very high89.8Confident35 Ų3594.9 Ų94.936%0.36150%0.502SS..Hα-helixtrans-61.7-42.9177.400000112.2L253 C261L253-G257 WeakPolarHBondContact O-CA 3.19Å; L253-G257 PolarHBondContact O-N 2.84Å; G257-C261 WeakPolarHBondContact O-CB 3.49Å; G257-C261 PolarHBondContact O-N 3.06Å
258S90.2Very high88.4Confident69 Ų6995.8 Ų95.848%0.48351%0.505SS..Hα-helixtrans-68.6-41.6175.458.40000112.5F254 L255 Y256 C261 F262F254-S258 VanDerWaalsContact O-CB 3.28Å; F254-S258 WeakPolarHBondContact O-CB 3.31Å; F254-S258 PolarHBondContact O-N 3.33Å; F254-S258 PolarHBondContact O-OG 3.23Å; L255-S258 WeakPolarHBondContact CA-OG 3.21Å; L255-S258 PolarHBondContact O-OG 3.35Å; Y256-S258 PolarHBondContact O-N 2.86Å; S258-C261 PolarHBondContact O-N 2.93Å; S258-F262 VanDerWaalsContact O-CB 3.3Å; S258-F262 WeakPolarHBondContact O-CB 3.47Å; S258-F262 PolarHBondContact O-N 3.42Å
259H90.9Very high86.9Confident114 Ų11497.6 Ų97.653%0.52851%0.513SS..Hα-helixtrans-63.3-45174.6177.5-90.5000111.9L255 Y256 F262 H263L255-H259 VanDerWaalsContact O-CB 3.26Å; L255-H259 WeakPolarHBondContact O-CB 3.5Å; L255-H259 PolarHBondContact O-N 3.4Å; Y256-H259 PolarHBondContact O-N 3.33Å; H259-F262 PolarHBondContact O-N 2.98Å; H259-H263 WeakPolarHBondContact O-CB 3.49Å; H259-H263 PolarHBondContact O-N 3.38Å
260H87Confident85.2Confident99 Ų9999.3 Ų99.346%0.45852%0.522SS..Hα-helixtrans-63.5-45.1176.4-173.1-76.6000110.9Y256 F262 H263 V264Y256-H260 WeakPolarHBondContact O-CB 3.38Å; Y256-H260 PolarHBondContact O-N 3.25Å; H260-F262 PolarHBondContact O-N 2.9Å; H260-H263 PolarHBondContact O-N 2.83Å; H260-V264 VanDerWaalsContact CE1-CG2 3.5Å; H260-V264 WeakPolarHBondContact CE1-CG2 3.42Å; H260-V264 WeakPolarHBondContact O-CB 3.14Å; H260-V264 VanDerWaalsContact O-CG2 3.26Å; H260-V264 WeakPolarHBondContact O-CG2 3.45Å; H260-V264 PolarHBondContact O-N 2.93Å
261C87.2Confident83.1Confident70 Ų70101 Ų10147%0.47353%0.534SS..Hα-helixtrans-58-47.3173.7-174.80000111.3G257 S258 H263 V264 C265G257-C261 WeakPolarHBondContact O-CB 3.49Å; G257-C261 PolarHBondContact O-N 3.06Å; S258-C261 PolarHBondContact O-N 2.93Å; C261-H263 PolarHBondContact O-N 3.09Å; C261-V264 PolarHBondContact O-N 3.35Å; C261-C265 VanDerWaalsContact O-CB 3.31Å; C261-C265 WeakPolarHBondContact O-CB 3.33Å; C261-C265 PolarHBondContact O-N 3.18Å; C261-C265 PolarHBondContact O-SG 3.21Å
262F86.5Confident80.6Confident133 Ų133105.4 Ų105.458%0.58356%0.555SS**Hα-helixtrans-59.5-45176175.7-98.5000112.3S258 H259 H260 C265 K266S258-F262 VanDerWaalsContact O-CB 3.3Å; S258-F262 WeakPolarHBondContact O-CB 3.47Å; S258-F262 PolarHBondContact O-N 3.42Å; H259-F262 PolarHBondContact O-N 2.98Å; H260-F262 PolarHBondContact O-N 2.9Å; F262-C265 PolarHBondContact O-N 3.33Å; F262-K266 HydrophobicContact CE1-CD 4.29Å; F262-K266 VanDerWaalsContact O-CB 3.26Å; F262-K266 WeakPolarHBondContact O-CB 3.21Å; F262-K266 PolarHBondContact O-N 3.35Å
263H81.1Confident78.3Confident115 Ų115110.2 Ų110.253%0.53258%0.576SS.*Hα-helixtrans-67.9-38.1179.9-163.1-78.2000112.1H259 H260 C261 K266 A267H259-H263 WeakPolarHBondContact O-CB 3.49Å; H259-H263 PolarHBondContact O-N 3.38Å; H260-H263 PolarHBondContact O-N 2.83Å; C261-H263 PolarHBondContact O-N 3.09Å; H263-K266 PolarHBondContact O-N 3.48Å; H263-A267 VanDerWaalsContact O-CB 3.31Å; H263-A267 WeakPolarHBondContact O-CB 3.41Å; H263-A267 PolarHBondContact O-N 3.42Å
264V83.2Confident75.8Confident67 Ų67113.8 Ų113.841%0.40659%0.586SS.*Hα-helixtrans-67.7-45174.3171.40000111.1H260 C261 K266 A267 T268H260-V264 VanDerWaalsContact CE1-CG2 3.5Å; H260-V264 WeakPolarHBondContact CE1-CG2 3.42Å; H260-V264 WeakPolarHBondContact O-CB 3.14Å; H260-V264 VanDerWaalsContact O-CG2 3.26Å; H260-V264 WeakPolarHBondContact O-CG2 3.45Å; H260-V264 PolarHBondContact O-N 2.93Å; C261-V264 PolarHBondContact O-N 3.35Å; V264-K266 VanDerWaalsContact C-N 3.34Å; V264-K266 PolarHBondContact O-N 2.83Å; V264-A267 PolarHBondContact O-N 2.87Å; V264-T268 WeakPolarHBondContact O-CB 3.45Å; V264-T268 WeakPolarHBondContact O-CG2 3.49Å; V264-T268 PolarHBondContact O-N 3.04Å; V264-T268 PolarHBondContact O-OG1 2.92Å
265C79.4Confident73.4Confident53 Ų53114.1 Ų114.136%0.35859%0.594SS.*Hα-helixtrans-58.9-46.3172.7-72.30000110.7C261 F262 A267 T268 F269C261-C265 VanDerWaalsContact O-CB 3.31Å; C261-C265 WeakPolarHBondContact O-CB 3.33Å; C261-C265 PolarHBondContact O-N 3.18Å; C261-C265 PolarHBondContact O-SG 3.21Å; F262-C265 PolarHBondContact O-N 3.33Å; C265-A267 VanDerWaalsContact C-N 3.34Å; C265-A267 PolarHBondContact O-N 3.47Å; C265-T268 WeakPolarHBondContact CA-OG1 3.35Å; C265-T268 PolarHBondContact O-N 3.47Å; C265-T268 PolarHBondContact O-OG1 3.38Å; C265-F269 HydrophobicContact CB-CD2 4.32Å; C265-F269 WeakPolarHBondContact O-CB 3.44Å; C265-F269 WeakPolarHBondContact O-CD2 3.44Å; C265-F269 PolarHBondContact O-N 2.93Å
266K77.8Confident70.7Confident125 Ų125114.4 Ų114.454%0.54360%0.602SS.*Hα-helixtrans-60.2-43176.9-172.4176.9179177.90112.1F262 H263 V264 T268 L270F262-K266 HydrophobicContact CE1-CD 4.29Å; F262-K266 VanDerWaalsContact O-CB 3.26Å; F262-K266 WeakPolarHBondContact O-CB 3.21Å; F262-K266 PolarHBondContact O-N 3.35Å; H263-K266 PolarHBondContact O-N 3.48Å; V264-K266 VanDerWaalsContact C-N 3.34Å; V264-K266 PolarHBondContact O-N 2.83Å; K266-T268 VanDerWaalsContact C-N 3.33Å; K266-T268 PolarHBondContact O-N 3.46Å; K266-L270 PolarHBondContact O-N 3.46Å
267A72.2Confident68.4Low63 Ų63113.4 Ų113.452%0.52162%0.618SS.*Hα-helixtrans-69.6-27.6178.800000113.7H263 V264 C265H263-A267 VanDerWaalsContact O-CB 3.31Å; H263-A267 WeakPolarHBondContact O-CB 3.41Å; H263-A267 PolarHBondContact O-N 3.42Å; V264-A267 PolarHBondContact O-N 2.87Å; C265-A267 VanDerWaalsContact C-N 3.34Å; C265-A267 PolarHBondContact O-N 3.47Å
268T67.8Low65.8Low96 Ų96120.2 Ų120.259%0.58963%0.634SS**Hα-helixtrans-87.8-31.8179.146.10000113.1V264 C265 K266V264-T268 WeakPolarHBondContact O-CB 3.45Å; V264-T268 WeakPolarHBondContact O-CG2 3.49Å; V264-T268 PolarHBondContact O-N 3.04Å; V264-T268 PolarHBondContact O-OG1 2.92Å; C265-T268 WeakPolarHBondContact CA-OG1 3.35Å; C265-T268 PolarHBondContact O-N 3.47Å; C265-T268 PolarHBondContact O-OG1 3.38Å; K266-T268 VanDerWaalsContact C-N 3.33Å; K266-T268 PolarHBondContact O-N 3.46Å
269F65.5Low63.6Low166 Ų166125.9 Ų125.973%0.72865%0.65SS**Hα-helixtrans-95.2-17.4-179.2-71.2-74.6000114.7C265C265-F269 HydrophobicContact CB-CD2 4.32Å; C265-F269 WeakPolarHBondContact O-CB 3.44Å; C265-F269 WeakPolarHBondContact O-CD2 3.44Å; C265-F269 PolarHBondContact O-N 2.93Å
270L58.7Low61.2Low132 Ų132129.7 Ų129.769%0.69167%0.665SS**  trans-13792170.3-85.9108.8000111.5K266 N272K266-L270 PolarHBondContact O-N 3.46Å; L270-N272 PolarHBondContact O-N 3.09Å
271P52.7Low58.8Low102 Ų102133.5 Ų133.566%0.66268%0.683SS**  trans-68.6128.8161.629.9-28.6000107.6E273P271-E273 PolarHBondContact O-N 2.91Å
272N45.9Very low56.3Low167 Ų167137.8 Ų137.889%0.89370%0.696SS**  trans-53.9106.2171.9-94.2-54.6000109.3L270 K274L270-N272 PolarHBondContact O-N 3.09Å; N272-K274 PolarHBondContact O-N 3.33Å
273E45.6Very low53.7Low179 Ų179138.8 Ų138.884%0.83671%0.707SS**  trans-64.9116.7161-79.5-159157.700107.6P271 L275P271-E273 PolarHBondContact O-N 2.91Å; E273-L275 PolarHBondContact O-N 3.43Å; E273-L275 VanDerWaalsContact O-N 3.09Å
274K43.8Very low51.3Low196 Ų196136.6 Ų136.685%0.85272%0.716SS**  trans-64.9107.7161-71.5-178.1178.1179.80106.6N272 P276N272-K274 PolarHBondContact O-N 3.33Å; K274-P276 WeakPolarHBondContact O-CD 3.49Å
275L44Very low48.8Very low159 Ų159139.6 Ų139.683%0.83273%0.73SS**  trans-55.6120.7170.6-149.585.3000108.4E273 S277E273-L275 PolarHBondContact O-N 3.43Å; E273-L275 VanDerWaalsContact O-N 3.09Å; L275-S277 PolarHBondContact O-N 3.36Å
276P39.6Very low46.8Very low110 Ų110146.7 Ų146.771%0.71475%0.75SS**  trans-69.1130.2-178.8-15.228.8000110.3K274 Y278K274-P276 WeakPolarHBondContact O-CD 3.49Å; P276-Y278 VanDerWaalsContact C-N 3.29Å; P276-Y278 PolarHBondContact O-N 3.07Å
277S44.2Very low45.3Very low132 Ų132146 Ų14692%0.92376%0.759SS**  trans-72.880.517055.40000110.4L275L275-S277 PolarHBondContact O-N 3.36Å
278Y39Very low43.3Very low178 Ų178148.8 Ų148.870%0.69877%0.773SS**  trans-144.591.1165.6170.2-96.6000107.3P276P276-Y278 VanDerWaalsContact C-N 3.29Å; P276-Y278 PolarHBondContact O-N 3.07Å
279F42.8Very low41.6Very low187 Ų187151.8 Ų151.882%0.8279%0.785SS**  trans-179.467.5152-86.1-61.8000106
280K41.2Very low40Very low194 Ų194150.9 Ų150.984%0.84379%0.786SS**  trans-122.3141.3156.6-93.6-174.8173.9-179.60105.8
281E35.6Very low38.7Very low179 Ų179150.3 Ų150.384%0.83679%0.788SS**  trans74.5130.5-173.4-94.5125.9170.200115
282Q36.1Very low37.7Very low160 Ų160149.9 Ų149.975%0.74879%0.787SS**  cis-169.3151.722.4-162.1172.5-8.500111.5
283D30.9Very low36.9Very low154 Ų154149.4 Ų149.482%0.82478%0.779SS**  trans44.5135.2156.1-80.8-17.8000120.7
284G30.9Very low36.3Very low70 Ų70147.4 Ų147.472%0.72277%0.774SS**  cis168.5163.810.400000109.3
285D30.2Very low35.7Very low129 Ų129144.4 Ų144.469%0.6977%0.767SS**  trans90.299.3165.4-92.90.6000123.2
286Y37.9Very low35.2Very low202 Ų202144.5 Ų144.579%0.79276%0.763SS**  trans87147.9140-64.2-51.3000121.9
287P46.9Very low34.7Very low110 Ų110145.7 Ų145.771%0.71477%0.773SS**  -124.9171.3-119.143.4-33.6000116
288C30.6Very low34Very low123 Ų123146.2 Ų146.283%0.83177%0.765SS**  trans-165.5110.6132-1110000112.6
289L31.4Very low34.2Very low159 Ų159143.1 Ų143.183%0.83277%0.767SS**  trans0.8137.6138.8-63.2166.3000116.1
290I32.5Very low33.7Very low146 Ų146140.5 Ų140.575%0.74977%0.766SS**  cis-158.2121.929.4-67.3-168.3000105.7
291V29.7Very low33.1Very low121 Ų121138.9 Ų138.973%0.73376%0.763SS**  64.9118.488.1179.10000117
292S32.3Very low33Very low92 Ų92137.3 Ų137.364%0.64376%0.759SS**  trans65150.7150-75.40000119.5
293E29.3Very low32.9Very low157 Ų157135 Ų13573%0.73476%0.756SS**  cis-174.1152.2-14-120.3168.8131.200105
294L33.2Very low32.8Very low137 Ų137132.9 Ų132.972%0.71775%0.752SS**  trans50.2131.7150.2-101.368.5000122.9
295D32.2Very low33.3Very low134 Ų134135.1 Ų135.172%0.71775%0.754SS**  trans84.5141.7139.1-72.6-15.1000121.4
296Q31.7Very low33.5Very low160 Ų160137.9 Ų137.975%0.74876%0.763SS**  trans82.589.5166.5-120.468.427.600117.6
297C30.5Very low33.4Very low136 Ų136133.6 Ų133.692%0.91976%0.762SS**  trans-79.9109.8148.8-70.20000108.7
298D30Very low32.8Very low142 Ų142132.6 Ų132.676%0.75976%0.763SS**  trans-138.1152.5153.4-117.6-12.4000108.2
299P41.3Very low32.8Very low114 Ų114133.9 Ų133.974%0.7476%0.761SS**  trans-82.1140.5-143.131.1-36.2000113.9M301P299-M301 PolarHBondContact O-N 3.35Å
300V33.2Very low32.7Very low132 Ų132133.8 Ų133.880%0.876%0.76SS**  trans-64.8112.1171.8175.90000109.8I302V300-I302 HydrophobicContact CG1-CG1 4.08Å; V300-I302 PolarHBondContact O-N 3.29Å
301M27.8Very low32.6Very low159 Ų159134.3 Ų134.378%0.78376%0.76SS**  trans-75.3107.2165-160.8-156.8-43.600108.3P299 V303P299-M301 PolarHBondContact O-N 3.35Å; M301-V303 HydrophobicContact CG-CG2 4.14Å; M301-V303 PolarHBondContact O-N 3.44Å; M301-V303 HydrophobicContact SD-CG2 3.6Å; M301-V303 VanDerWaalsContact SD-CG2 3.6Å
302I35.3Very low32.7Very low146 Ų146136.1 Ų136.175%0.74976%0.763SS**  trans-8399.4169.8-59.9176.5000107.5V300V300-I302 HydrophobicContact CG1-CG1 4.08Å; V300-I302 PolarHBondContact O-N 3.29Å
303V32.4Very low32.9Very low112 Ų112138.8 Ų138.868%0.67977%0.771SS**  trans-92121.2163.2177.10000107.2M301M301-V303 HydrophobicContact CG-CG2 4.14Å; M301-V303 PolarHBondContact O-N 3.44Å; M301-V303 HydrophobicContact SD-CG2 3.6Å; M301-V303 VanDerWaalsContact SD-CG2 3.6Å
304C30.5Very low33.5Very low109 Ų109136.9 Ų136.974%0.73677%0.772SS**  trans-108.4139.4161.4-74.50000109.6
305P39.9Very low33.5Very low118 Ų118134.7 Ų134.777%0.76677%0.773SS**  trans-88.5159.1-163.336.2-35.2000113.5
306E35.8Very low33.7Very low187 Ų187134.3 Ų134.387%0.87478%0.776SS**  trans-75.5143171.4-179.9167.4174.700112.1
307S35.5Very low33.6Very low112 Ų112133.5 Ų133.578%0.78378%0.776SS**  trans-162.7121.3148.740.20000114.1
308A32.9Very low33.9Very low88 Ų88131.9 Ų131.973%0.72777%0.767SS**  trans66.9100136.800000122.4
309L30.8Very low34.1Very low151 Ų151129.9 Ų129.979%0.79177%0.77SS**  29.7115.4109.9-128.1173.3000118.3
310L29.4Very low33.7Very low157 Ų157128.6 Ų128.682%0.82277%0.769SS**  -166.8144.5107.8-128.7108.2000114
311E31.1Very low34Very low156 Ų156129.7 Ų129.773%0.72977%0.769SS**  trans-62.7156.4-176.1-171.5173.7-16600115.2
312I32.2Very low35.2Very low159 Ų159127.1 Ų127.182%0.81576%0.764SS**  trans172.9112.9131.8-80.4149.1000109.2
313N35.4Very low35.2Very low149 Ų149125.2 Ų125.280%0.79777%0.771SS**  trans-75.3154.3157.5-82.6-38.1000108.8
314P42.8Very low35.1Very low116 Ų116123.1 Ų123.175%0.75377%0.772SS**  -156158.667.938.3-15.9000119.1
315A32.9Very low35.2Very low91 Ų91125.5 Ų125.575%0.75278%0.776SS**  trans54.1139.6135.700000123
316V35.4Very low35.1Very low126 Ų126125.7 Ų125.776%0.76477%0.771SS**  140115.6126.3171.20000113.5
317D31.1Very low35.2Very low143 Ų143124.7 Ų124.777%0.76577%0.766SS**  trans52.4152143-77.1-30.8000122.2
318S35.3Very low34.9Very low102 Ų102125.3 Ų125.371%0.71376%0.761SS**  cis-175.6150.7-7-113.20000106.3
319A35.5Very low35Very low100 Ų100131.7 Ų131.783%0.82677%0.766SS**  trans167.687.8135.400000113.1
320A33.6Very low35.2Very low87 Ų87130.1 Ų130.172%0.71977%0.768SS**  -0.6152.4126.200000119
321L38.5Very low35.4Very low155 Ų155125.8 Ų125.881%0.81276%0.761SS**  cis-176.2-177.836.4-97.1146000108.6
322P52.1Low35.6Very low105 Ų105128.7 Ų128.768%0.68277%0.765SS**  -150-179.2-60.346.4-26.3000118.1
323A35.7Very low35.9Very low106 Ų106128 Ų12888%0.87676%0.758SS**  trans96.2127.2130.400000124
324G30.8Very low35.9Very low68 Ų68125.6 Ų125.670%0.70175%0.753SS**  trans140.277.9155.500000113.1
325L33.6Very low35.6Very low160 Ų160130.7 Ų130.784%0.83876%0.757SS**  53.7123.6100.8-70.3169.3000112.8
326D37.2Very low35.9Very low122 Ų122133.5 Ų133.565%0.65276%0.755SS**  cis-159.2139.230.5-87.3-46.1000108.9
327Q36.5Very low35.8Very low166 Ų166134.1 Ų134.178%0.77675%0.754SS**  72.4136.5103.1-148.21683800114.4
328D30.6Very low36.1Very low125 Ų125131.9 Ų131.967%0.66875%0.75SS**  cis-161127.5-9.2-115.5-30.7000103
329R34.6Very low36.3Very low222 Ų222132.2 Ų132.284%0.83875%0.752SS**  88.4118.391.4-138.1-173.3-172.4-172.72116.3
330S35.4Very low36.3Very low118 Ų118132.7 Ų132.783%0.82575%0.749SS**  trans63.7136.6148.4770000118.1
331G32.8Very low36.7Very low66 Ų66133.6 Ų133.668%0.6875%0.75SS**  cis141.9160.914.200000108.8
332R36.1Very low36.6Very low217 Ų217129.8 Ų129.882%0.81975%0.748SS**  trans81.4117.1153.1-70.3-167.8143.9152.41.9120.4
333H37.1Very low36Very low145 Ų145132.2 Ų132.267%0.67176%0.756SS**  71.7111121-61.9-41.9000117.4
334S36.8Very low36.5Very low98 Ų98132.4 Ų132.469%0.68575%0.75SS**  100.1101.991.8-73.70000108.6
335R36.4Very low36.8Very low223 Ų223133 Ų13384%0.84276%0.757SS**  77.3116.399.8-92.8-168.8176.1163.30.7113.7
336Q39.4Very low37.4Very low149 Ų149130.9 Ų130.970%0.69675%0.75SS**  trans98.7126.1133.4-75.3-178.7-12.500119.7
337N32.2Very low37.5Very low140 Ų140136.8 Ų136.875%0.74977%0.765SS**  trans74.6141.9142.5-61.2-2.8000115.7
338S38.3Very low38.1Very low96 Ų96134 Ų13467%0.67176%0.764SS**  cis177.1146.90.742.50000107.2
339S39.1Very low38.6Very low108 Ų108133 Ų13376%0.75577%0.773SS**  trans70.1129.2141.8-50.20000122.9
340S34.8Very low38.5Very low111 Ų111126.5 Ų126.578%0.77678%0.775SS**  trans70152.3144.8118.90000117
341S42.3Very low38.4Very low106 Ų106124.1 Ų124.174%0.74177%0.769SS**  cis174.7152.7-745.20000106
342G36.1Very low38.5Very low75 Ų75128.8 Ų128.877%0.77378%0.778SS**  trans90.7106.116300000113.8
343D39.9Very low38.7Very low156 Ų156123.3 Ų123.383%0.83477%0.773SS**  84.8133.768-166.232.7000114.4
344S46.3Very low38.5Very low109 Ų109121.5 Ų121.576%0.76278%0.783SS**  trans77.3134.515972.20000120.3
345G37.2Very low38.2Very low81 Ų81120.1 Ų120.184%0.83579%0.785SS**  trans154.183.2160.100000116.7
346V46.2Very low38Very low116 Ų116118.2 Ų118.270%0.70379%0.79SS**  trans-73.1147.1172.6-171.90000111.2
347Y38.4Very low37.7Very low245 Ų245118.2 Ų118.296%0.96179%0.791SS**  trans-153.4141.1137.9-82.9-65.4000112.9
348S50.2Low38.1Very low109 Ų109118 Ų11876%0.76280%0.797SS**  trans-93.6160.3-172.7-46.90000114
349A40.8Very low37.6Very low102 Ų102121.6 Ų121.684%0.84380%0.8SS**  trans-171.5121.3138.200000106.4
350G32.7Very low37.2Very low87 Ų87123.2 Ų123.290%0.89781%0.805SS**  96.1126.358.700000108.1
351G33.7Very low36.9Very low67 Ų67121.5 Ų121.569%0.69180%0.798SS**  cis175.9172.60.900000109.9
352N35.4Very low36.2Very low164 Ų164124.8 Ų124.888%0.87781%0.807SS**  trans70.5141.5157.8-75.326.6000119.8
353S39.5Very low35.7Very low102 Ų102126.8 Ų126.871%0.71380%0.804SS**  cis-173.1156.511.928.60000113.1
354A33.4Very low35Very low107 Ų107128.3 Ų128.388%0.88480%0.803SS**  trans70.6136.8150.300000119.9
355G30.3Very low34.1Very low70 Ų70128.6 Ų128.672%0.72280%0.801SS**  cis176.7172.11.500000112.3
356L32Very low33.5Very low182 Ų182132 Ų13295%0.95380%0.8SS**  trans83.7113.5161.7-76.9145.9000121.5
357Q32.3Very low32.7Very low150 Ų150132.8 Ų132.870%0.70180%0.804SS**  trans-80.6174154.6-73.7-147.8-2000111.8
358P40.4Very low32.3Very low136 Ų136127.7 Ų127.788%0.88379%0.794SS**  -134.4159.69226.8-8.4000115.6
359K29.3Very low31.5Very low170 Ų170128.2 Ų128.274%0.73980%0.795SS**  trans-93.5136-175.1-163.7179.5-169.8178.90109.8
360V30.4Very low30.7Very low142 Ų142129.4 Ų129.486%0.86179%0.792SS**  trans-137122152.3178.20000107.6
361A27.2Very low30.5Very low76 Ų76134.6 Ų134.663%0.62879%0.79SS**  trans-105.2135.8174.400000108.8
362L28Very low30.1Very low175 Ų175139.1 Ų139.192%0.91680%0.798SS**  trans-137.8109.7154.7-83.6170.6000108
363T25.1Very low30Very low116 Ų116136.9 Ų136.971%0.71280%0.796SS**  trans-77.4144.4164.8-24.80000108.3
364F26.1Very low29.5Very low189 Ų189140.5 Ų140.583%0.82980%0.801SS**  176.9122.4123-97.7-72.6000112.1
365T27.4Very low29.4Very low115 Ų115144.4 Ų144.471%0.70680%0.798SS**  trans66.189.314346.40000121.4
366D25.1Very low29.4Very low153 Ų153148.8 Ų148.882%0.81880%0.804SS**  -7116.8121.9-144.4-2.4000117.4
367V29.2Very low29.2Very low131 Ų131146.8 Ų146.879%0.79479%0.794SS**  trans-145.9109156.5-178.20000108.4
368N30.4Very low29Very low139 Ų139148.7 Ų148.774%0.74381%0.805SS**  trans-59.4151.6166.6-105.9-22.1000111.4
369P32.7Very low28.6Very low120 Ų120150.3 Ų150.378%0.77981%0.806SS**  -136.1127.3120.930.3-14.5000114
370T25.1Very low28.7Very low127 Ų127147 Ų14778%0.77980%0.804SS**  trans-18.8127.6152.1-31.10000116.2
371F27.1Very low28.6Very low196 Ų196149.2 Ų149.286%0.8681%0.807SS**  trans-51.6130.3160.1-116.7-108000111.4
372N26.6Very low28.8Very low161 Ų161153.1 Ų153.186%0.86182%0.818SS**  trans-138.9120.3154.3-107-13.5000109.3
373S31.5Very low28.9Very low118 Ų118149.8 Ų149.883%0.82581%0.809SS**  trans-82.6116.2174.3-176.50000107.7
374E30Very low29.2Very low177 Ų177153.5 Ų153.583%0.82782%0.819SS**  trans-132.1116.3169.3-138.3169.8176.300110.9
375K31.5Very low29.3Very low190 Ų190151.7 Ų151.783%0.82682%0.816SS**  trans-66.3118.7178.3-173.1-178.2-172.5179.50108.8
376L29.5Very low29.4Very low162 Ų162155.9 Ų155.985%0.84882%0.824SS**  trans-129.2124.3166.4-114.2109.6000112.1
377N28.9Very low29.7Very low140 Ų140154.7 Ų154.775%0.74982%0.822SS**PPolyproline II helixtrans-64.3139.7-175.6-68.2-47.7000112.5L379N377-L379 PolarHBondContact O-N 3.31Å
378M27.8Very low29.7Very low189 Ų189153.1 Ų153.193%0.93182%0.817SS**PPolyproline II helixtrans-64.7126.4161.7-78.4-164.3-73.900110.2
379L32.3Very low30Very low170 Ų170152.4 Ų152.489%0.8982%0.82SS**PPolyproline II helixtrans-96.6119.6158.2-83164000108.4N377N377-L379 PolarHBondContact O-N 3.31Å
380S31.3Very low30Very low101 Ų101154.6 Ų154.671%0.70682%0.823SS**PPolyproline II helixtrans-59.9130.7172550000111.7
381M27.7Very low30.5Very low188 Ų188154.5 Ų154.593%0.92682%0.823SS**  trans-117.6107.1157-96.7177.1145.600108.5
382N31.2Very low31.1Very low158 Ų158150.7 Ų150.785%0.84582%0.817SS**  trans-67.4129.8165.8-76.7-7.8000109.2
383S31.2Very low31.4Very low106 Ų106151 Ų15174%0.74182%0.819SS**  trans-130105.3156.139.50000108.7I385S383-I385 PolarHBondContact O-N 3.44Å
384E30.3Very low31.8Very low194 Ų194153.9 Ų153.991%0.90782%0.82SS**  trans-59.8123.1169.2-68.6174148.300109.6
385I29.3Very low32Very low150 Ų150149.1 Ų149.177%0.76982%0.817SS**  trans-111109.3163.7-63.5177.2000107.5S383 V387S383-I385 PolarHBondContact O-N 3.44Å; I385-V387 HydrophobicContact CG2-CG2 4.42Å; I385-V387 PolarHBondContact O-N 3.22Å
386K28.8Very low32.3Very low204 Ų204146.5 Ų146.589%0.88782%0.817SS**  trans-77.2112.4175.9-163.9176.9-172.3179.50108.5
387V30.7Very low32.9Very low128 Ų128147.3 Ų147.378%0.77682%0.817SS**PPolyproline II helixtrans-98.2123.3174.1179.50000109I385I385-V387 HydrophobicContact CG2-CG2 4.42Å; I385-V387 PolarHBondContact O-N 3.22Å
388S30.3Very low33.5Very low97 Ų97148.2 Ų148.268%0.67882%0.822SS**PPolyproline II helixtrans-79.4146.6171.5-59.60000110.8
389P36.4Very low34.1Very low125 Ų125146.4 Ų146.481%0.81281%0.814SS**PPolyproline II helixtrans-78.9140.2-176.930.1-31.6000112.7
390I33Very low34.6Very low165 Ų165147.3 Ų147.385%0.84681%0.814SS**PPolyproline II helixtrans-79.1133.4172.8-75.7161.1000109.3
391V34.2Very low35.3Very low126 Ų126152.3 Ų152.376%0.76484%0.839SS**PPolyproline II helixtrans-77.3133.6173.1177.20000109.1
392P39.7Very low35.6Very low116 Ų116150.5 Ų150.575%0.75384%0.835SS**PPolyproline II helixtrans-82.1134.317230.9-29.2000111.3
393D34.7Very low35.9Very low167 Ų167150.1 Ų150.189%0.89384%0.835SS**PPolyproline II helixtrans-75.4128.1176.9-158.718000109.9
394E38.4Very low36.1Very low179 Ų179152.6 Ų152.684%0.83684%0.84SS**PPolyproline II helixtrans-76.1132.5177.4-89.4-177.5152.200110.5
395G34.8Very low36.5Very low76 Ų76150.1 Ų150.178%0.78484%0.836SS**PPolyproline II helixtrans-67136.8174.800000112.4
396V38.3Very low36.9Very low135 Ų135150.1 Ų150.182%0.81884%0.84SS**PPolyproline II helixtrans-79120.9170.71750000108.6
397E41.3Very low37.5Very low179 Ų179146.5 Ų146.584%0.83684%0.837SS**PPolyproline II helixtrans-80.4128.8165.1-74.4-160.1157.500110.2
398D40.8Very low37.9Very low160 Ų160147.9 Ų147.986%0.85684%0.841SS**PPolyproline II helixtrans-75.2123169.3-73.3-42.3000110
399I41.4Very low38.5Very low150 Ų150151.8 Ų151.877%0.76985%0.854SS**PPolyproline II helixtrans-90120.4171.2-73.5170.8000108.6V401I399-V401 HydrophobicContact CG2-CG2 4.2Å
400E43Very low38.7Very low190 Ų190154 Ų15489%0.88886%0.857SS**PPolyproline II helixtrans-66.4128.4162.7-76.1-178.5147.400110.6
401V44.7Very low39.2Very low205 Ų205153 Ų153100%1.24286%0.858SS**  trans-1370152.7178.90000108.9I399I399-V401 HydrophobicContact CG2-CG2 4.2Å

Retrieved 401 of 401 residues in 839.3 ms (Link to these results)