A0A077ZMA3_TRITR Loading...

ditrans,polycis-polyprenyl diphosphate synthase [(2E,6E)-farnesyldiphosphate specific]

AlphaFold DB , UniProt , Accession A0A077ZMA3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 212 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
1M62Low81.1Confident202 Ų202128.5 Ų128.5100%0.99563%0.633SS**  0-24.20-82.4-174.588.500114.4
2T76.1Confident81.6Confident111 Ų111131.5 Ų131.568%0.68164%0.641SS**Hα-helixtrans-66.9-36.9-177.2450000114.7H4 W5 T6T2-H4 VanDerWaalsContact C-N 3.31Å; T2-H4 PolarHBondContact O-N 3.45Å; T2-W5 PolarHBondContact O-N 3.16Å; T2-T6 PolarHBondContact O-N 3.49Å; T2-T6 VanDerWaalsContact O-N 3.1Å; T2-T6 PolarHBondContact O-OG1 2.73Å
3I79.9Confident82.1Confident134 Ų134127.9 Ų127.969%0.68763%0.631SS**Hα-helixtrans-63.8-34.4-177.8-59.9167.6000112.3T6 M7I3-T6 WeakPolarHBondContact CA-OG1 3.34Å; I3-T6 PolarHBondContact O-OG1 3.3Å; I3-M7 WeakPolarHBondContact O-CB 3.41Å; I3-M7 PolarHBondContact O-N 3.2Å; I3-M7 VanDerWaalsContact O-N 3.08Å
4H78.4Confident82.5Confident126 Ų126125.6 Ų125.658%0.58362%0.622SS**Hα-helixtrans-71.5-37.6-179.9-161.6-23.7000111.9T2 M7 M8T2-H4 VanDerWaalsContact C-N 3.31Å; T2-H4 PolarHBondContact O-N 3.45Å; H4-M7 PolarHBondContact O-N 2.9Å; H4-M8 WeakPolarHBondContact O-CB 3.31Å; H4-M8 WeakPolarHBondContact O-CG 3.26Å; H4-M8 PolarHBondContact O-N 2.88Å
5W83.9Confident82.6Confident194 Ų194123.7 Ų123.774%0.73561%0.613SS**Hα-helixtrans-68.5-41176.2-80.699.5000112.1T2 M8 A9T2-W5 PolarHBondContact O-N 3.16Å; W5-M8 PolarHBondContact O-N 3.1Å; W5-A9 WeakPolarHBondContact O-CB 3.41Å; W5-A9 PolarHBondContact O-N 2.92Å
6T85.4Confident82.6Confident80 Ų80119.1 Ų119.149%0.49160%0.601SS.*Hα-helixtrans-64.6-40.7175.554.40000111.4T2 I3 A9 I10T2-T6 PolarHBondContact O-N 3.49Å; T2-T6 VanDerWaalsContact O-N 3.1Å; T2-T6 PolarHBondContact O-OG1 2.73Å; I3-T6 WeakPolarHBondContact CA-OG1 3.34Å; I3-T6 PolarHBondContact O-OG1 3.3Å; T6-A9 PolarHBondContact O-N 3.48Å; T6-I10 VanDerWaalsContact O-CG1 3.27Å; T6-I10 WeakPolarHBondContact O-CG1 3.11Å; T6-I10 PolarHBondContact O-N 3.24Å
7M83.7Confident82.8Confident115 Ų115117.2 Ų117.257%0.56759%0.592SS**Hα-helixtrans-63.8-42.5175.4-126.8-169.877.300112.6I3 H4 I10 R11I3-M7 WeakPolarHBondContact O-CB 3.41Å; I3-M7 PolarHBondContact O-N 3.2Å; I3-M7 VanDerWaalsContact O-N 3.08Å; H4-M7 PolarHBondContact O-N 2.9Å; M7-I10 PolarHBondContact O-N 2.92Å; M7-R11 WeakPolarHBondContact O-CB 3.47Å; M7-R11 PolarHBondContact O-N 3.31Å
8M83.2Confident82.7Confident118 Ų118115.9 Ų115.958%0.58159%0.586SS**Hα-helixtrans-59.9-46.4174.3-81.4-90.3-155.200111.3H4 W5 R11 F12H4-M8 WeakPolarHBondContact O-CB 3.31Å; H4-M8 WeakPolarHBondContact O-CG 3.26Å; H4-M8 PolarHBondContact O-N 2.88Å; W5-M8 PolarHBondContact O-N 3.1Å; M8-R11 PolarHBondContact O-N 2.65Å; M8-F12 PolarHBondContact O-N 3.37Å
9A85.3Confident82.3Confident55 Ų55112.6 Ų112.646%0.45557%0.573SS.*Hα-helixtrans-62.3-45.117900000112W5 T6 R11 F12 V13W5-A9 WeakPolarHBondContact O-CB 3.41Å; W5-A9 PolarHBondContact O-N 2.92Å; T6-A9 PolarHBondContact O-N 3.48Å; A9-R11 VanDerWaalsContact C-N 3.31Å; A9-R11 PolarHBondContact O-N 2.75Å; A9-F12 PolarHBondContact O-N 3.25Å; A9-V13 VanDerWaalsContact O-CG2 3.31Å; A9-V13 WeakPolarHBondContact O-CG2 3.41Å; A9-V13 PolarHBondContact O-N 2.8Å
10I89.5Confident82.2Confident104 Ų104112.5 Ų112.553%0.53357%0.574SS.*Hα-helixtrans-59.9-43.4176.4-68.8164.8000110.8T6 M7 F12 V13 L14T6-I10 VanDerWaalsContact O-CG1 3.27Å; T6-I10 WeakPolarHBondContact O-CG1 3.11Å; T6-I10 PolarHBondContact O-N 3.24Å; M7-I10 PolarHBondContact O-N 2.92Å; I10-F12 VanDerWaalsContact C-N 3.34Å; I10-F12 PolarHBondContact O-N 3.47Å; I10-V13 PolarHBondContact O-N 3.29Å; I10-L14 HydrophobicContact CG2-CD1 3.96Å; I10-L14 WeakPolarHBondContact O-CB 3.49Å; I10-L14 PolarHBondContact O-N 3.34Å
11R84.6Confident82.1Confident175 Ų175112.6 Ų112.666%0.6657%0.573SS**Hα-helixtrans-63.6-41.5179.1-141.1177.2178.7174.3-0.9111.5M7 M8 A9 L14 I15M7-R11 WeakPolarHBondContact O-CB 3.47Å; M7-R11 PolarHBondContact O-N 3.31Å; M8-R11 PolarHBondContact O-N 2.65Å; A9-R11 VanDerWaalsContact C-N 3.31Å; A9-R11 PolarHBondContact O-N 2.75Å; R11-L14 PolarHBondContact O-N 2.85Å; R11-I15 WeakPolarHBondContact O-CD1 3.11Å; R11-I15 VanDerWaalsContact O-CG1 3.26Å; R11-I15 WeakPolarHBondContact O-CG1 3.3Å; R11-I15 PolarHBondContact O-N 3.32Å
12F86.9Confident82.7Confident164 Ų164106.9 Ų106.972%0.71954%0.544SS*.Hα-helixtrans-65.3-42.6177.4-148.9-87.2000111.9M8 A9 I10 I15 A16M8-F12 PolarHBondContact O-N 3.37Å; A9-F12 PolarHBondContact O-N 3.25Å; I10-F12 VanDerWaalsContact C-N 3.34Å; I10-F12 PolarHBondContact O-N 3.47Å; F12-I15 PolarHBondContact O-N 3.46Å; F12-A16 WeakPolarHBondContact O-CB 3.07Å; F12-A16 PolarHBondContact O-N 3.16Å
13V88.1Confident82.6Confident85 Ų85107.7 Ų107.752%0.51554%0.54SS..Hα-helixtrans-64.1-43.5176.5172.70000111.1A9 I10 A16 I17A9-V13 VanDerWaalsContact O-CG2 3.31Å; A9-V13 WeakPolarHBondContact O-CG2 3.41Å; A9-V13 PolarHBondContact O-N 2.8Å; I10-V13 PolarHBondContact O-N 3.29Å; V13-A16 PolarHBondContact O-N 2.93Å; V13-I17 HydrophobicContact CG1-CD1 3.79Å; V13-I17 HydrophobicContact CG1-CG1 4.4Å; V13-I17 VanDerWaalsContact O-CG1 3.27Å; V13-I17 WeakPolarHBondContact O-CG1 3.39Å; V13-I17 PolarHBondContact O-N 2.9Å
14L87.8Confident82.4Confident96 Ų96106.3 Ų106.350%0.50353%0.534SS..Hα-helixtrans-60.9-45.8175.8-84.3164.2000112I10 R11 A16 I17 I18I10-L14 HydrophobicContact CG2-CD1 3.96Å; I10-L14 WeakPolarHBondContact O-CB 3.49Å; I10-L14 PolarHBondContact O-N 3.34Å; R11-L14 PolarHBondContact O-N 2.85Å; L14-A16 VanDerWaalsContact C-N 3.33Å; L14-A16 PolarHBondContact O-N 3.38Å; L14-I17 PolarHBondContact O-N 2.79Å; L14-I18 VanDerWaalsContact O-CG1 3.26Å; L14-I18 WeakPolarHBondContact O-CG1 3.38Å; L14-I18 PolarHBondContact O-N 3.02Å
15I83.9Confident82.3Confident96 Ų96106.7 Ų106.749%0.49253%0.534SS..Hα-helixtrans-61.1-44.3176.5-68.2165.3000110.3R11 F12 I17 I18 C19R11-I15 WeakPolarHBondContact O-CD1 3.11Å; R11-I15 VanDerWaalsContact O-CG1 3.26Å; R11-I15 WeakPolarHBondContact O-CG1 3.3Å; R11-I15 PolarHBondContact O-N 3.32Å; F12-I15 PolarHBondContact O-N 3.46Å; I15-I17 PolarHBondContact O-N 3.22Å; I15-I18 PolarHBondContact O-N 3.02Å; I15-C19 WeakPolarHBondContact O-CB 3.5Å; I15-C19 PolarHBondContact O-N 3.47Å; I15-C19 PolarHBondContact O-SG 3.21Å; I15-C19 VanDerWaalsContact O-SG 3.34Å
16A82.8Confident81.5Confident50 Ų50100.2 Ų100.241%0.41351%0.509SS..Hα-helixtrans-61.1-42.9177.300000112.1F12 V13 L14 C19 L20F12-A16 WeakPolarHBondContact O-CB 3.07Å; F12-A16 PolarHBondContact O-N 3.16Å; V13-A16 PolarHBondContact O-N 2.93Å; L14-A16 VanDerWaalsContact C-N 3.33Å; L14-A16 PolarHBondContact O-N 3.38Å; A16-C19 PolarHBondContact O-N 2.77Å; A16-L20 VanDerWaalsContact O-CB 3.28Å; A16-L20 WeakPolarHBondContact O-CB 3.37Å; A16-L20 PolarHBondContact O-N 2.71Å
17I86Confident80.7Confident87 Ų87103.7 Ų103.745%0.44651%0.513SS..Hα-helixtrans-63.2-45.1176.3-69.1166.8000110.8V13 L14 I15 L20 M21V13-I17 HydrophobicContact CG1-CD1 3.79Å; V13-I17 HydrophobicContact CG1-CG1 4.4Å; V13-I17 VanDerWaalsContact O-CG1 3.27Å; V13-I17 WeakPolarHBondContact O-CG1 3.39Å; V13-I17 PolarHBondContact O-N 2.9Å; L14-I17 PolarHBondContact O-N 2.79Å; I15-I17 PolarHBondContact O-N 3.22Å; I17-L20 PolarHBondContact O-N 3.06Å; I17-M21 HydrophobicContact CG2-CG 4.38Å; I17-M21 HydrophobicContact CG2-SD 4.43Å; I17-M21 WeakPolarHBondContact O-CB 3.36Å; I17-M21 WeakPolarHBondContact O-CG 3.36Å; I17-M21 PolarHBondContact O-N 3.49Å
18I81.7Confident80.2Confident95 Ų95105.9 Ų105.949%0.48752%0.52SS..Hα-helixtrans-60.2-49.1178-68.8165.1000110.1L14 I15 L20 M21 E22L14-I18 VanDerWaalsContact O-CG1 3.26Å; L14-I18 WeakPolarHBondContact O-CG1 3.38Å; L14-I18 PolarHBondContact O-N 3.02Å; I15-I18 PolarHBondContact O-N 3.02Å; I18-L20 VanDerWaalsContact C-N 3.3Å; I18-L20 PolarHBondContact O-N 3.13Å; I18-M21 PolarHBondContact O-N 3.01Å; I18-E22 PolarHBondContact O-N 2.9Å
19C73.8Confident79.6Confident52 Ų52105.1 Ų105.135%0.35151%0.51SS..Hα-helixtrans-57.6-42.6176-73.50000112I15 A16 E22 Q23I15-C19 WeakPolarHBondContact O-CB 3.5Å; I15-C19 PolarHBondContact O-N 3.47Å; I15-C19 PolarHBondContact O-SG 3.21Å; I15-C19 VanDerWaalsContact O-SG 3.34Å; A16-C19 PolarHBondContact O-N 2.77Å; C19-E22 PolarHBondContact O-N 3.45Å; C19-Q23 WeakPolarHBondContact O-CB 3.48Å; C19-Q23 WeakPolarHBondContact O-CG 3.13Å; C19-Q23 PolarHBondContact O-N 3.37Å
20L81.5Confident78.7Confident111 Ų111107.3 Ų107.358%0.58151%0.51SS*.Hα-helixtrans-70.1-37.5-179-156.9143.9000111.7A16 I17 I18 Q23 L24A16-L20 VanDerWaalsContact O-CB 3.28Å; A16-L20 WeakPolarHBondContact O-CB 3.37Å; A16-L20 PolarHBondContact O-N 2.71Å; I17-L20 PolarHBondContact O-N 3.06Å; I18-L20 VanDerWaalsContact C-N 3.3Å; I18-L20 PolarHBondContact O-N 3.13Å; L20-Q23 PolarHBondContact O-N 3.14Å; L20-L24 HydrophobicContact CD2-CD1 3.8Å; L20-L24 WeakPolarHBondContact O-CB 3.16Å; L20-L24 PolarHBondContact O-N 3.26Å
21M80.4Confident77.6Confident115 Ų115107.4 Ų107.457%0.56750%0.503SS*.Hα-helixtrans-65-39.7172.3-76.7-165.56900112.5I17 I18 L24 K25I17-M21 HydrophobicContact CG2-CG 4.38Å; I17-M21 HydrophobicContact CG2-SD 4.43Å; I17-M21 WeakPolarHBondContact O-CB 3.36Å; I17-M21 WeakPolarHBondContact O-CG 3.36Å; I17-M21 PolarHBondContact O-N 3.49Å; I18-M21 PolarHBondContact O-N 3.01Å; M21-L24 PolarHBondContact O-N 2.98Å; M21-K25 PolarHBondContact O-N 3.09Å
22E74.6Confident76.8Confident81 Ų81105.3 Ų105.338%0.37950%0.499SS..Hα-helixtrans-66-43.7174.6-76.9-170.8157.600112.1I18 C19 L24 K25 R26I18-E22 PolarHBondContact O-N 2.9Å; C19-E22 PolarHBondContact O-N 3.45Å; E22-L24 PolarHBondContact O-N 2.83Å; E22-K25 PolarHBondContact O-N 3.15Å; E22-R26 PolarHBondContact O-N 3.35Å
23Q73.4Confident75.6Confident129 Ų12998.4 Ų98.460%0.60347%0.469SS*.Hα-helixtrans-57-48173.1-72.5-112.6-3.300111C19 L20 K25 R26 W27C19-Q23 WeakPolarHBondContact O-CB 3.48Å; C19-Q23 WeakPolarHBondContact O-CG 3.13Å; C19-Q23 PolarHBondContact O-N 3.37Å; L20-Q23 PolarHBondContact O-N 3.14Å; Q23-K25 PolarHBondContact O-N 2.88Å; Q23-R26 WeakPolarHBondContact O-CB 3.3Å; Q23-R26 PolarHBondContact O-N 3.3Å; Q23-W27 WeakPolarHBondContact O-CB 3.35Å; Q23-W27 PolarHBondContact O-N 3.47Å
24L75.9Confident74.4Confident104 Ų10497.8 Ų97.855%0.54547%0.465SS..Hα-helixtrans-61.3-42.1175.8-89.7162.6000112.5L20 M21 E22 W27 K28L20-L24 HydrophobicContact CD2-CD1 3.8Å; L20-L24 WeakPolarHBondContact O-CB 3.16Å; L20-L24 PolarHBondContact O-N 3.26Å; M21-L24 PolarHBondContact O-N 2.98Å; E22-L24 PolarHBondContact O-N 2.83Å; L24-W27 PolarHBondContact O-N 3.33Å; L24-K28 VanDerWaalsContact O-CB 3.3Å; L24-K28 WeakPolarHBondContact O-CB 3.34Å; L24-K28 PolarHBondContact O-N 3.29Å
25K76.1Confident73Confident134 Ų13499.8 Ų99.858%0.58347%0.47SS*.Hα-helixtrans-61.6-44.8174.9-94.1-177.9178.6175.20111.3M21 E22 Q23 K28 R29M21-K25 PolarHBondContact O-N 3.09Å; E22-K25 PolarHBondContact O-N 3.15Å; Q23-K25 PolarHBondContact O-N 2.88Å; K25-K28 PolarHBondContact O-N 3.38Å; K25-R29 WeakPolarHBondContact O-CG 3.49Å; K25-R29 PolarHBondContact O-N 3.49Å
26R66.8Low71.9Confident58 Ų58104 Ų10422%0.21948%0.479CS..Hα-helixtrans-59.4-49.4173.9-85.8-166.1-166.2143.8-2.2110.8E22 Q23 K28 R29 K30 Y70 E105E22-R26 PolarHBondContact O-N 3.35Å; Q23-R26 WeakPolarHBondContact O-CB 3.3Å; Q23-R26 PolarHBondContact O-N 3.3Å; R26-K28 VanDerWaalsContact C-N 3.31Å; R26-K28 PolarHBondContact O-N 3.03Å; R26-R29 PolarHBondContact O-N 3Å; R26-R29 VanDerWaalsContact O-N 3.13Å; R26-K30 WeakPolarHBondContact O-CB 3.13Å; R26-K30 PolarHBondContact O-N 3.1Å; R26-Y70 PolarHBondContact NE-OH 3.27Å; R26-E105 IonicContact CZ-OE1 3.61Å; R26-E105 IonicContact CZ-OE2 2.65Å; R26-E105 VanDerWaalsContact CZ-OE2 3.31Å; R26-E105 IonicContact NE-OE2 3.8Å; R26-E105 IonicContact NH2-OE1 2.68Å; R26-E105 IonicContact NH2-OE2 3.6Å; R26-E105 PolarHBondContact NH2-OE2 2.96Å
27W68.7Low70.7Confident154 Ų154104.1 Ų104.158%0.58347%0.471SS*.Hα-helixtrans-59.6-45.1-179-14174.3000110.4Q23 L24 R29 K30 W31Q23-W27 WeakPolarHBondContact O-CB 3.35Å; Q23-W27 PolarHBondContact O-N 3.47Å; L24-W27 PolarHBondContact O-N 3.33Å; W27-R29 PolarHBondContact O-N 3.46Å; W27-K30 PolarHBondContact O-N 3.26Å; W27-W31 AromaticContact CD2-CD1 3.37Å; W27-W31 AromaticContact CD2-NE1 3.22Å; W27-W31 AromaticContact CE2-CD1 3.74Å; W27-W31 AromaticContact CE2-NE1 3.11Å; W27-W31 AromaticContact CE3-CD1 3.31Å; W27-W31 HydrophobicContact CE3-CG 4.19Å; W27-W31 AromaticContact CE3-NE1 3.2Å; W27-W31 AromaticContact CG-CD1 3.96Å; W27-W31 HydrophobicContact CH2-CD2 4.49Å; W27-W31 AromaticContact CH2-CE2 3.32Å; W27-W31 AromaticContact CH2-CZ2 3.33Å; W27-W31 HydrophobicContact CH2-CZ2 3.33Å; W27-W31 AromaticContact CH2-NE1 3.05Å; W27-W31 AromaticContact CZ2-CE2 3.7Å; W27-W31 AromaticContact CZ2-CZ2 3.84Å; W27-W31 HydrophobicContact CZ2-CZ2 3.84Å; W27-W31 AromaticContact CZ2-NE1 3.04Å; W27-W31 AromaticContact CZ3-CD1 3.67Å; W27-W31 HydrophobicContact CZ3-CD2 4.29Å; W27-W31 AromaticContact CZ3-CE2 3.48Å; W27-W31 VanDerWaalsContact CZ3-CE2 3.48Å; W27-W31 HydrophobicContact CZ3-CG 4.33Å; W27-W31 AromaticContact CZ3-CZ2 3.86Å; W27-W31 HydrophobicContact CZ3-CZ2 3.86Å; W27-W31 AromaticContact CZ3-NE1 3.11Å; W27-W31 AromaticContact NE1-NE1 3.92Å; W27-W31 WeakPolarHBondContact O-CB 3.39Å; W27-W31 VanDerWaalsContact O-CD1 3.22Å; W27-W31 PolarHBondContact O-N 3.47Å
28K74.2Confident69Low160 Ų160108.6 Ų108.670%0.69649%0.49SS*.Hα-helixtrans-61.5-41.1175-168.4175.8-175.1175.20112.7L24 K25 R26 K32L24-K28 VanDerWaalsContact O-CB 3.3Å; L24-K28 WeakPolarHBondContact O-CB 3.34Å; L24-K28 PolarHBondContact O-N 3.29Å; K25-K28 PolarHBondContact O-N 3.38Å; R26-K28 VanDerWaalsContact C-N 3.31Å; R26-K28 PolarHBondContact O-N 3.03Å; K28-K32 WeakPolarHBondContact O-CB 3.42Å; K28-K32 PolarHBondContact O-N 2.79Å
29R70.2Confident67.8Low103 Ų103109.4 Ų109.439%0.38950%0.495SS..Hα-helixtrans-65-46.1174.9-72.6-175.4-136.5161.25111.3K25 R26 W27 K32 F33 L71 W100K25-R29 WeakPolarHBondContact O-CG 3.49Å; K25-R29 PolarHBondContact O-N 3.49Å; R26-R29 PolarHBondContact O-N 3Å; R26-R29 VanDerWaalsContact O-N 3.13Å; W27-R29 PolarHBondContact O-N 3.46Å; R29-K32 PolarHBondContact O-N 3.1Å; R29-F33 WeakPolarHBondContact O-CB 3.46Å; R29-F33 PolarHBondContact O-N 3Å; R29-L71 HydrophobicContact CB-CD2 4.45Å; R29-W100 PolarHBondContact NH1-O 2.88Å
30K66.1Low67.3Low101 Ų101111.5 Ų111.544%0.43951%0.511SS..Hα-helixtrans-61.2-49.2178.5-167.6176.5-174.7179.70110.8R26 W27 F33 V34R26-K30 WeakPolarHBondContact O-CB 3.13Å; R26-K30 PolarHBondContact O-N 3.1Å; W27-K30 PolarHBondContact O-N 3.26Å; K30-F33 WeakPolarHBondContact O-CB 3.31Å; K30-F33 PolarHBondContact O-N 3.37Å; K30-F33 VanDerWaalsContact O-N 3.16Å; K30-V34 VanDerWaalsContact O-CG2 3.31Å; K30-V34 WeakPolarHBondContact O-CG2 3.31Å; K30-V34 PolarHBondContact O-N 2.7Å
31W65.2Low66.6Low106 Ų106110.3 Ų110.340%0.40251%0.509SS..Hα-helixtrans-64.9-41.1176.8-85.284000112.7W27 F33 V34 F35W27-W31 AromaticContact CD2-CD1 3.37Å; W27-W31 AromaticContact CD2-NE1 3.22Å; W27-W31 AromaticContact CE2-CD1 3.74Å; W27-W31 AromaticContact CE2-NE1 3.11Å; W27-W31 AromaticContact CE3-CD1 3.31Å; W27-W31 HydrophobicContact CE3-CG 4.19Å; W27-W31 AromaticContact CE3-NE1 3.2Å; W27-W31 AromaticContact CG-CD1 3.96Å; W27-W31 HydrophobicContact CH2-CD2 4.49Å; W27-W31 AromaticContact CH2-CE2 3.32Å; W27-W31 AromaticContact CH2-CZ2 3.33Å; W27-W31 HydrophobicContact CH2-CZ2 3.33Å; W27-W31 AromaticContact CH2-NE1 3.05Å; W27-W31 AromaticContact CZ2-CE2 3.7Å; W27-W31 AromaticContact CZ2-CZ2 3.84Å; W27-W31 HydrophobicContact CZ2-CZ2 3.84Å; W27-W31 AromaticContact CZ2-NE1 3.04Å; W27-W31 AromaticContact CZ3-CD1 3.67Å; W27-W31 HydrophobicContact CZ3-CD2 4.29Å; W27-W31 AromaticContact CZ3-CE2 3.48Å; W27-W31 VanDerWaalsContact CZ3-CE2 3.48Å; W27-W31 HydrophobicContact CZ3-CG 4.33Å; W27-W31 AromaticContact CZ3-CZ2 3.86Å; W27-W31 HydrophobicContact CZ3-CZ2 3.86Å; W27-W31 AromaticContact CZ3-NE1 3.11Å; W27-W31 AromaticContact NE1-NE1 3.92Å; W27-W31 WeakPolarHBondContact O-CB 3.39Å; W27-W31 VanDerWaalsContact O-CD1 3.22Å; W27-W31 PolarHBondContact O-N 3.47Å; W31-F33 PolarHBondContact O-N 3.43Å; W31-V34 PolarHBondContact O-N 3Å; W31-F35 HydrophobicContact CB-CD2 4.34Å; W31-F35 HydrophobicContact CD2-CE2 4.17Å; W31-F35 AromaticContact CE3-CD2 3.69Å; W31-F35 HydrophobicContact CE3-CD2 3.69Å; W31-F35 HydrophobicContact CE3-CE1 4.49Å; W31-F35 AromaticContact CE3-CE2 3.07Å; W31-F35 HydrophobicContact CE3-CE2 3.07Å; W31-F35 AromaticContact CE3-CZ 3.53Å; W31-F35 HydrophobicContact CE3-CZ 3.53Å; W31-F35 HydrophobicContact CZ3-CD2 4.43Å; W31-F35 HydrophobicContact CZ3-CE1 4.34Å; W31-F35 AromaticContact CZ3-CE2 3.49Å; W31-F35 HydrophobicContact CZ3-CE2 3.49Å; W31-F35 VanDerWaalsContact CZ3-CE2 3.49Å; W31-F35 AromaticContact CZ3-CZ 3.41Å; W31-F35 HydrophobicContact CZ3-CZ 3.41Å; W31-F35 VanDerWaalsContact CZ3-CZ 3.41Å; W31-F35 VanDerWaalsContact O-CB 3.31Å; W31-F35 WeakPolarHBondContact O-CB 3.4Å; W31-F35 VanDerWaalsContact O-CD2 3.26Å; W31-F35 WeakPolarHBondContact O-CD2 3.45Å; W31-F35 PolarHBondContact O-N 3.05Å
32K69.3Low66Low130 Ų130105.3 Ų105.357%0.56549%0.486SS*.Hα-helixtrans-62.8-32174.8-169.5176.5-175.4179.50111.9K28 R29 R36K28-K32 WeakPolarHBondContact O-CB 3.42Å; K28-K32 PolarHBondContact O-N 2.79Å; R29-K32 PolarHBondContact O-N 3.1Å; K32-R36 WeakPolarHBondContact O-CB 3.36Å; K32-R36 WeakPolarHBondContact O-CG 3.45Å; K32-R36 PolarHBondContact O-N 2.81Å
33F61.3Low66Low20 Ų20108 Ų1089%0.08851%0.507CS..Hα-helixtrans-71.6-50.9174.5-173.6-88.3000111.3R29 K30 W31 F35 R36 H37 T68 L71 M72 L197R29-F33 WeakPolarHBondContact O-CB 3.46Å; R29-F33 PolarHBondContact O-N 3Å; K30-F33 WeakPolarHBondContact O-CB 3.31Å; K30-F33 PolarHBondContact O-N 3.37Å; K30-F33 VanDerWaalsContact O-N 3.16Å; W31-F33 PolarHBondContact O-N 3.43Å; F33-F35 PolarHBondContact O-N 3.05Å; F33-R36 PolarHBondContact O-N 3.27Å; F33-H37 AromaticContact CE1-CD2 3.89Å; F33-H37 AromaticContact CE2-NE2 3.95Å; F33-H37 AromaticContact CZ-CD2 3.72Å; F33-H37 PolarHBondContact O-N 3.13Å; F33-T68 HydrophobicContact CE2-CG2 3.76Å; F33-T68 HydrophobicContact CZ-CG2 3.55Å; F33-L71 HydrophobicContact CD2-CD1 4.43Å; F33-M72 HydrophobicContact CD1-SD 4.14Å; F33-M72 HydrophobicContact CE1-CG 4.08Å; F33-M72 HydrophobicContact CE1-SD 3.46Å; F33-M72 WeakPolarHBondContact CE1-SD 3.4Å; F33-M72 HydrophobicContact CZ-SD 4.39Å; F33-L197 HydrophobicContact CE1-CD1 4.39Å; F33-L197 HydrophobicContact CE1-CD2 3.97Å; F33-L197 HydrophobicContact CZ-CD1 3.84Å; F33-L197 HydrophobicContact CZ-CD2 3.85Å; F33-L197 HydrophobicContact CZ-CG 4.15Å
34V62.8Low66.6Low72 Ų72106.7 Ų106.744%0.43650%0.504SS..Hα-helixtrans-58.6-47.3177.1172.90000111.2K30 W31 R36 H37K30-V34 VanDerWaalsContact O-CG2 3.31Å; K30-V34 WeakPolarHBondContact O-CG2 3.31Å; K30-V34 PolarHBondContact O-N 2.7Å; W31-V34 PolarHBondContact O-N 3Å; V34-R36 VanDerWaalsContact C-N 3.29Å; V34-R36 PolarHBondContact O-N 3.35Å; V34-H37 CarbonylContact O-C 3.58Å; V34-H37 PolarHBondContact O-N 2.95Å; V34-H37 VanDerWaalsContact O-N 3.16Å; V34-H37 VanDerWaalsContact O-O 3.05Å
35F58.5Low67.3Low137 Ų137104.4 Ų104.460%0.60149%0.492SS*.Hα-helixtrans-66.8-25.8179.2-83.8-58.3000114.2W31 F33 H37W31-F35 HydrophobicContact CB-CD2 4.34Å; W31-F35 HydrophobicContact CD2-CE2 4.17Å; W31-F35 AromaticContact CE3-CD2 3.69Å; W31-F35 HydrophobicContact CE3-CD2 3.69Å; W31-F35 HydrophobicContact CE3-CE1 4.49Å; W31-F35 AromaticContact CE3-CE2 3.07Å; W31-F35 HydrophobicContact CE3-CE2 3.07Å; W31-F35 AromaticContact CE3-CZ 3.53Å; W31-F35 HydrophobicContact CE3-CZ 3.53Å; W31-F35 HydrophobicContact CZ3-CD2 4.43Å; W31-F35 HydrophobicContact CZ3-CE1 4.34Å; W31-F35 AromaticContact CZ3-CE2 3.49Å; W31-F35 HydrophobicContact CZ3-CE2 3.49Å; W31-F35 VanDerWaalsContact CZ3-CE2 3.49Å; W31-F35 AromaticContact CZ3-CZ 3.41Å; W31-F35 HydrophobicContact CZ3-CZ 3.41Å; W31-F35 VanDerWaalsContact CZ3-CZ 3.41Å; W31-F35 VanDerWaalsContact O-CB 3.31Å; W31-F35 WeakPolarHBondContact O-CB 3.4Å; W31-F35 VanDerWaalsContact O-CD2 3.26Å; W31-F35 WeakPolarHBondContact O-CD2 3.45Å; W31-F35 PolarHBondContact O-N 3.05Å; F33-F35 PolarHBondContact O-N 3.05Å; F35-H37 PolarHBondContact O-N 3.43Å
36R61.1Low68.1Low184 Ų18498.1 Ų98.169%0.69446%0.464SS*.Hα-helixtrans-75.4-17.6176.6-88.7-177.9168.7-165.6-5.6112.9K32 F33 V34K32-R36 WeakPolarHBondContact O-CB 3.36Å; K32-R36 WeakPolarHBondContact O-CG 3.45Å; K32-R36 PolarHBondContact O-N 2.81Å; F33-R36 PolarHBondContact O-N 3.27Å; V34-R36 VanDerWaalsContact C-N 3.29Å; V34-R36 PolarHBondContact O-N 3.35Å
37H56.5Low69.3Low53 Ų53100.3 Ų100.325%0.24548%0.484CS..SBendtrans-121.285.4-177.1-61.6-37.6000107.8F33 V34 F35 N39 L197F33-H37 AromaticContact CE1-CD2 3.89Å; F33-H37 AromaticContact CE2-NE2 3.95Å; F33-H37 AromaticContact CZ-CD2 3.72Å; F33-H37 PolarHBondContact O-N 3.13Å; V34-H37 CarbonylContact O-C 3.58Å; V34-H37 PolarHBondContact O-N 2.95Å; V34-H37 VanDerWaalsContact O-N 3.16Å; V34-H37 VanDerWaalsContact O-O 3.05Å; F35-H37 PolarHBondContact O-N 3.43Å; H37-N39 PolarHBondContact O-N 3.39Å; H37-N39 VanDerWaalsContact O-O 3.1Å; H37-L197 HydrophobicContact CB-CD1 4.36Å; H37-L197 WeakPolarHBondContact CD2-CD1 3.28Å; H37-L197 VanDerWaalsContact NE2-CD1 3.3Å; H37-L197 WeakPolarHBondContact NE2-CD1 3.46Å
38H51.5Low70.5Confident181 Ų18193.3 Ų93.384%0.83846%0.458SS*.  trans-60.9-4.1-173.6-119.5-54.5000115.1
39N56.4Low71.6Confident112 Ų11285.7 Ų85.760%0.59943%0.425SS*.SBendtrans-79.2134.6173.5-65.5-9.7000109H37 Y201H37-N39 PolarHBondContact O-N 3.39Å; H37-N39 VanDerWaalsContact O-O 3.1Å; N39-Y201 HydrophobicContact CB-CE2 4.32Å; N39-Y201 WeakPolarHBondContact CB-OH 3.36Å; N39-Y201 PolarHBondContact O-OH 3.2Å; N39-Y201 VanDerWaalsContact O-OH 3.1Å
40S62.5Low72.8Confident97 Ų9780.8 Ų80.868%0.67841%0.407SS*.PPolyproline II helixtrans-48.3130.3172.845.80000109.8Y201S40-Y201 WeakPolarHBondContact O-CE1 3.41Å; S40-Y201 PolarHBondContact O-OH 3.14Å
41P66.8Low74.2Confident85 Ų8576 Ų7655%0.55239%0.386SS*.PPolyproline II helixtrans-54.3149.9-175.422.9-33.5000111.5V43P41-V43 PolarHBondContact O-N 3.45Å
42P68.9Low75.6Confident11 Ų1171 Ų717%0.07137%0.367CS..PPolyproline II helixtrans-54.8131.4177.8-8.116.8000109.6I44 L45 M72 L200 Y201P42-I44 VanDerWaalsContact C-N 3.34Å; P42-L45 HydrophobicContact CB-CD2 4.11Å; P42-L45 HydrophobicContact CG-CD2 3.98Å; P42-M72 HydrophobicContact CG-CE 3.69Å; P42-L200 HydrophobicContact CG-CB 4.15Å; P42-Y201 HydrophobicContact CB-CD1 4.05Å; P42-Y201 HydrophobicContact CB-CE1 4.16Å; P42-Y201 HydrophobicContact CG-CD1 3.97Å; P42-Y201 HydrophobicContact CG-CE1 3.83Å; P42-Y201 HydrophobicContact CG-CG 4.43Å
43V74.9Confident76.7Confident136 Ų13664.8 Ų64.882%0.82434%0.34SS*.SBendtrans-68.4-38.2-173.1-178.40000111.1P41P41-V43 PolarHBondContact O-N 3.45Å
44I85.7Confident77.9Confident103 Ų10367.6 Ų67.653%0.52835%0.35SS..SBendtrans-118.5128.6179.1-58.8170.2000107.5P42 F203 S204P42-I44 VanDerWaalsContact C-N 3.34Å; I44-F203 HydrophobicContact CG2-CE1 4.21Å; I44-S204 WeakPolarHBondContact O-CB 3.41Å
45L90.2Very high79Confident56 Ų5670.7 Ų70.729%0.29336%0.355SS..  trans-111.8146.3176.1-71.1170.2000110P42 M72 I74P42-L45 HydrophobicContact CB-CD2 4.11Å; P42-L45 HydrophobicContact CG-CD2 3.98Å; L45-M72 WeakPolarHBondContact CD1-O 3.37Å; L45-M72 HydrophobicContact CD2-CE 4.29Å; L45-I74 HydrophobicContact CD2-CD1 4.37Å
46P92.7Very high80.2Confident2 Ų265.4 Ų65.41%0.01333%0.332CS..  trans-63.9137.2170.527.6-32.9000109.1H48 I49 I74 D158 L159 L200 F203P46-H48 VanDerWaalsContact C-N 3.34Å; P46-I49 HydrophobicContact CB-CG1 3.89Å; P46-I49 HydrophobicContact CG-CD1 3.54Å; P46-I49 HydrophobicContact CG-CG1 3.37Å; P46-I74 HydrophobicContact CG-CD1 4.4Å; P46-I74 HydrophobicContact CG-CG1 4.26Å; P46-I74 WeakPolarHBondContact O-CG1 3.38Å; P46-D158 HydrophobicContact CB-CB 3.48Å; P46-D158 VanDerWaalsContact CB-CB 3.48Å; P46-L159 HydrophobicContact CB-CB 3.97Å; P46-L159 HydrophobicContact CG-CB 4.18Å; P46-L159 HydrophobicContact CG-CD2 4.2Å; P46-L200 HydrophobicContact CG-CD2 3.89Å; P46-F203 HydrophobicContact CB-CD1 4.33Å; P46-F203 HydrophobicContact CB-CE1 3.85Å; P46-F203 HydrophobicContact CB-CE2 4.09Å; P46-F203 HydrophobicContact CB-CZ 3.71Å; P46-F203 HydrophobicContact CG-CD1 4.29Å; P46-F203 HydrophobicContact CG-CE1 4.25Å
47T92.4Very high81.3Confident104 Ų10461.2 Ų61.264%0.63833%0.327SS*.SBendtrans-73.5-34.4174.467.30000110.8D158T47-D158 WeakPolarHBondContact CA-OD2 3.46Å; T47-D158 WeakPolarHBondContact CB-OD2 3.42Å; T47-D158 PolarHBondContact N-OD2 3.08Å; T47-D158 PolarHBondContact OG1-OD2 3.23Å
48H94.4Very high82.9Confident7 Ų761.4 Ų61.43%0.03233%0.329CS..EExtended strand (participates in β ladder)trans-132.4120.9178.2-174.7-165.5000111.3P46 R76 S78 E156 D158 L159P46-H48 VanDerWaalsContact C-N 3.34Å; H48-R76 WeakPolarHBondContact CA-O 3.43Å; H48-R76 HydrophobicContact CB-CB 4.11Å; H48-R76 PolarHBondContact CD2-O 2.9Å; H48-S78 PolarHBondContact CE1-OG 2.72Å; H48-S78 VanDerWaalsContact CE1-OG 3.28Å; H48-S78 WeakPolarHBondContact NE2-CB 3.37Å; H48-S78 PolarHBondContact NE2-OG 3.3Å; H48-E156 PolarHBondContact ND1-O 3.41Å; H48-D158 PolarHBondContact N-OD2 3.31Å; H48-D158 WeakPolarHBondContact O-CB 3.3Å; H48-D158 PolarHBondContact O-N 2.82Å; H48-L159 PolarHBondContact O-N 2.97Å
49I95.8Very high84.7Confident0 Ų052.9 Ų52.90%029%0.29CS..EExtended strand (participates in β ladder)trans-105.7139.6172.3-63.8-178.9000109.8P46 F51 C69 I74 R76 I77 S78 L159 V161 M196 L200P46-I49 HydrophobicContact CB-CG1 3.89Å; P46-I49 HydrophobicContact CG-CD1 3.54Å; P46-I49 HydrophobicContact CG-CG1 3.37Å; I49-F51 HydrophobicContact CG2-CE1 4.29Å; I49-F51 HydrophobicContact CG2-CE2 4.17Å; I49-F51 HydrophobicContact CG2-CZ 4.01Å; I49-C69 HydrophobicContact CD1-CB 4.35Å; I49-I74 HydrophobicContact CB-CG2 4.44Å; I49-I74 HydrophobicContact CD1-CB 4.45Å; I49-I74 HydrophobicContact CD1-CD1 3.5Å; I49-I74 VanDerWaalsContact CD1-CD1 3.5Å; I49-I74 HydrophobicContact CD1-CG1 3.96Å; I49-I74 HydrophobicContact CD1-CG2 4.06Å; I49-I74 HydrophobicContact CG1-CG2 3.99Å; I49-R76 PolarHBondContact N-O 2.82Å; I49-R76 VanDerWaalsContact N-O 3.16Å; I49-I77 CarbonylContact O-C 3.52Å; I49-I77 VanDerWaalsContact O-CA 3.26Å; I49-I77 WeakPolarHBondContact O-CA 3.32Å; I49-S78 PolarHBondContact O-N 3.34Å; I49-L159 CarbonylContact C-O 3.6Å; I49-L159 WeakPolarHBondContact CA-O 3.47Å; I49-L159 HydrophobicContact CD1-CD2 4.26Å; I49-L159 HydrophobicContact CG1-CB 4.31Å; I49-L159 HydrophobicContact CG1-CD2 4.36Å; I49-V161 HydrophobicContact CG2-CG2 4.4Å; I49-M196 HydrophobicContact CD1-CE 4.07Å; I49-L200 HydrophobicContact CD1-CD2 3.69Å
50A95.7Very high86.3Confident0 Ų053.1 Ų53.10%029%0.288CS..EExtended strand (participates in β ladder)trans-115.4142.7167.600000112.1S78 V157 L159 L160 V161 Y172A50-S78 CarbonylContact C-O 3.52Å; A50-S78 VanDerWaalsContact CA-O 3.28Å; A50-S78 WeakPolarHBondContact CA-O 3.37Å; A50-V157 HydrophobicContact CB-CB 4.41Å; A50-V157 HydrophobicContact CB-CG1 3.66Å; A50-V157 HydrophobicContact CB-CG2 3.84Å; A50-L159 PolarHBondContact N-O 3.35Å; A50-L160 HydrophobicContact CB-CD1 3.7Å; A50-V161 PolarHBondContact O-N 2.93Å; A50-Y172 HydrophobicContact CB-CD2 4.49Å; A50-Y172 HydrophobicContact CB-CE1 4.38Å; A50-Y172 HydrophobicContact CB-CE2 3.55Å; A50-Y172 VanDerWaalsContact CB-CZ 3.5Å; A50-Y172 VanDerWaalsContact CB-OH 3.28Å; A50-Y172 WeakPolarHBondContact CB-OH 3.39Å
51F95.6Very high87.8Confident0 Ų053.5 Ų53.50%027%0.274CS..EExtended strand (participates in β ladder)trans-110.2118.8172.1-68.4-65.3000109.1I49 L62 L65 V66 I77 S78 V79 Y80 V161 F163 M196I49-F51 HydrophobicContact CG2-CE1 4.29Å; I49-F51 HydrophobicContact CG2-CE2 4.17Å; I49-F51 HydrophobicContact CG2-CZ 4.01Å; F51-L62 HydrophobicContact CB-CD1 4.12Å; F51-L62 HydrophobicContact CD2-CD1 4.21Å; F51-L62 HydrophobicContact CG-CD1 4.04Å; F51-L65 HydrophobicContact CE1-CB 4.45Å; F51-L65 HydrophobicContact CE1-CD1 4.5Å; F51-L65 HydrophobicContact CZ-CB 4.18Å; F51-V66 HydrophobicContact CD2-CG2 4.31Å; F51-V66 HydrophobicContact CE2-CG2 4.03Å; F51-I77 HydrophobicContact CD2-CG2 3.74Å; F51-I77 HydrophobicContact CE2-CG2 3.66Å; F51-S78 PolarHBondContact N-O 2.91Å; F51-V79 HydrophobicContact CD2-CG2 4.42Å; F51-Y80 PolarHBondContact O-N 3.46Å; F51-V161 HydrophobicContact CD1-CB 3.73Å; F51-V161 HydrophobicContact CD1-CG1 3.95Å; F51-V161 HydrophobicContact CD1-CG2 4.37Å; F51-V161 HydrophobicContact CE1-CB 3.96Å; F51-V161 HydrophobicContact CE1-CG1 4.11Å; F51-V161 HydrophobicContact CE1-CG2 4.13Å; F51-F163 HydrophobicContact CB-CE2 4.03Å; F51-F163 AromaticContact CD1-CE2 3.69Å; F51-F163 HydrophobicContact CD1-CE2 3.69Å; F51-F163 AromaticContact CD1-CZ 3.49Å; F51-F163 HydrophobicContact CD1-CZ 3.49Å; F51-F163 VanDerWaalsContact CD1-CZ 3.49Å; F51-F163 HydrophobicContact CE1-CZ 4.02Å; F51-F163 HydrophobicContact CG-CE2 4.25Å; F51-F163 HydrophobicContact CG-CZ 4.37Å; F51-M196 HydrophobicContact CE1-CE 4.4Å; F51-M196 HydrophobicContact CE1-SD 3.8Å; F51-M196 HydrophobicContact CZ-CE 4.43Å; F51-M196 HydrophobicContact CZ-SD 4.03Å
52A94.5Very high89.1Confident0 Ų049.5 Ų49.50%025%0.248CC..EExtended strand (participates in β ladder)trans-101.6121.1176.600000111.3Y80 L160 V161 V162 V170 Y172A52-Y80 HydrophobicContact CB-CD1 4.2Å; A52-L160 HydrophobicContact CB-CD1 3.97Å; A52-V161 PolarHBondContact N-O 3.01Å; A52-V162 HydrophobicContact CB-CG2 4.33Å; A52-V170 HydrophobicContact CB-CB 4.3Å; A52-V170 HydrophobicContact CB-CG2 4.46Å; A52-Y172 HydrophobicContact CB-CD2 4.34Å
53L92.4Very high90.2Very high0 Ų049.1 Ų49.10%025%0.246CC..EExtended strand (participates in β ladder)trans-113.8128.7-177.3-51.1169.9000109.3E56 M59 L62 V79 Y80 R81 F82 F163 L188L53-E56 HydrophobicContact CB-CB 4.25Å; L53-E56 HydrophobicContact CD2-CB 3.83Å; L53-E56 HydrophobicContact CD2-CG 4.23Å; L53-M59 HydrophobicContact CD1-CE 4.5Å; L53-L62 HydrophobicContact CD1-CD2 3.73Å; L53-L62 HydrophobicContact CD2-CD1 4.48Å; L53-V79 HydrophobicContact CD1-CG1 3.59Å; L53-V79 HydrophobicContact CG-CG1 4.38Å; L53-Y80 WeakPolarHBondContact CB-O 3.49Å; L53-Y80 WeakPolarHBondContact CG-O 3.16Å; L53-Y80 PolarHBondContact N-O 2.82Å; L53-R81 HydrophobicContact CB-CB 4.5Å; L53-R81 HydrophobicContact CB-CG 4.38Å; L53-R81 WeakPolarHBondContact O-CA 3.47Å; L53-F82 PolarHBondContact O-N 3.39Å; L53-F163 HydrophobicContact CD2-CD2 3.62Å; L53-F163 HydrophobicContact CD2-CE2 3.78Å; L53-L188 HydrophobicContact CD2-CD2 4.18Å
54R87.6Confident91Very high80 Ų8044.5 Ų44.530%0.30222%0.22SC..SBendtrans-96.5-57.1175.4-164.7172.1174.7148.8-1.3111.3E56 V170R54-E56 PolarHBondContact N-OE2 3.01Å; R54-V170 HydrophobicContact CB-CG1 3.5Å; R54-V170 VanDerWaalsContact CB-CG1 3.5Å; R54-V170 HydrophobicContact CB-CG2 4.42Å; R54-V170 HydrophobicContact CG-CG1 3.79Å
55Y84.4Confident91.4Very high137 Ų13739.7 Ų39.754%0.53720%0.195SC..SBendtrans-130.20.3-175.5-54.8-60.9000112.4
56E84.2Confident91.6Very high25 Ų2537 Ų3712%0.11718%0.181CC..  trans-68.3129.9-174-72.368.1-155.700111.9L53 R54 F163 L188L53-E56 HydrophobicContact CB-CB 4.25Å; L53-E56 HydrophobicContact CD2-CB 3.83Å; L53-E56 HydrophobicContact CD2-CG 4.23Å; R54-E56 PolarHBondContact N-OE2 3.01Å; E56-F163 HydrophobicContact CG-CB 4.3Å; E56-L188 HydrophobicContact CB-CB 4.02Å; E56-L188 HydrophobicContact CB-CD2 3.72Å; E56-L188 HydrophobicContact CG-CB 3.44Å; E56-L188 VanDerWaalsContact CG-CB 3.44Å; E56-L188 HydrophobicContact CG-CD2 4.12Å; E56-L188 HydrophobicContact CG-CG 4.45Å
57T84.4Confident91.4Very high97 Ų9738.2 Ų38.260%0.59519%0.189SC*.  trans-121.7-2.4-178.954.20000113.8M59T57-M59 VanDerWaalsContact C-N 3.3Å; T57-M59 PolarHBondContact O-N 3.44Å
58D90.1Very high91.3Very high56 Ų5633.3 Ų33.330%0.29916%0.158SC..  trans-78.674.7-178.7-169.6-13.1000111.8E60 R61 L62 L188D58-E60 PolarHBondContact O-N 3.5Å; D58-E60 PolarHBondContact OD1-N 3.29Å; D58-R61 HydrophobicContact CB-CB 4.29Å; D58-R61 PolarHBondContact O-N 3.07Å; D58-R61 PolarHBondContact OD1-N 3Å; D58-L62 PolarHBondContact O-N 3.28Å; D58-L188 HydrophobicContact CB-CD2 4.11Å; D58-L188 HydrophobicContact CB-CG 4.33Å; D58-L188 WeakPolarHBondContact O-CD2 3.33Å
59M89.8Confident91.2Very high2 Ų233 Ų331%0.0116%0.157CC..Hα-helixtrans-63.9-25.8-178-62.2-60.9126.300113.1L53 T57 L62 A63 W85 L89 L93 Y96L53-M59 HydrophobicContact CD1-CE 4.5Å; T57-M59 VanDerWaalsContact C-N 3.3Å; T57-M59 PolarHBondContact O-N 3.44Å; M59-L62 HydrophobicContact SD-CD2 4.13Å; M59-A63 VanDerWaalsContact O-CB 3.26Å; M59-A63 WeakPolarHBondContact O-CB 3.46Å; M59-A63 PolarHBondContact O-N 2.93Å; M59-W85 HydrophobicContact SD-CZ3 4.43Å; M59-L89 HydrophobicContact CE-CD2 3.84Å; M59-L89 HydrophobicContact CG-CD2 3.64Å; M59-L89 HydrophobicContact SD-CD2 4.05Å; M59-L93 HydrophobicContact CB-CD1 4.33Å; M59-L93 HydrophobicContact SD-CB 4.07Å; M59-L93 HydrophobicContact SD-CD1 4.13Å; M59-L93 HydrophobicContact SD-CD2 3.98Å; M59-L93 HydrophobicContact SD-CG 4.3Å; M59-Y96 HydrophobicContact CB-CD2 4.31Å; M59-Y96 HydrophobicContact CB-CE2 4.47Å
60E90Very high90.9Very high118 Ų11833.4 Ų33.455%0.55116%0.158SC*.Hα-helixtrans-69.5-44.9176.5-71.8-17117700111.1D58 A63 S64 Y96D58-E60 PolarHBondContact O-N 3.5Å; D58-E60 PolarHBondContact OD1-N 3.29Å; E60-A63 PolarHBondContact O-N 3.47Å; E60-S64 PolarHBondContact O-N 3.48Å; E60-Y96 HydrophobicContact CG-CD1 4.26Å; E60-Y96 HydrophobicContact CG-CD2 4.38Å; E60-Y96 HydrophobicContact CG-CE1 3.66Å; E60-Y96 HydrophobicContact CG-CE2 3.83Å; E60-Y96 VanDerWaalsContact CG-CZ 3.42Å; E60-Y96 WeakPolarHBondContact CG-OH 3.26Å; E60-Y96 PolarHBondContact OE1-OH 3.29Å
61R92.1Very high90.5Very high105 Ų10534.7 Ų34.740%0.39617%0.165SC..Hα-helixtrans-64-45174.7-164.787.387.1-1719.7110.8D58 A63 S64 L65 L188 S189 V191D58-R61 HydrophobicContact CB-CB 4.29Å; D58-R61 PolarHBondContact O-N 3.07Å; D58-R61 PolarHBondContact OD1-N 3Å; R61-A63 VanDerWaalsContact C-N 3.34Å; R61-A63 PolarHBondContact O-N 2.88Å; R61-S64 WeakPolarHBondContact O-CA 3.44Å; R61-S64 WeakPolarHBondContact O-CB 3.25Å; R61-S64 PolarHBondContact O-N 2.92Å; R61-L65 PolarHBondContact O-N 2.71Å; R61-L65 VanDerWaalsContact O-N 3.1Å; R61-L188 HydrophobicContact CB-CD1 4.28Å; R61-L188 HydrophobicContact CB-CG 4.28Å; R61-L188 HydrophobicContact CG-CD1 4.24Å; R61-L188 WeakPolarHBondContact CG-O 3.35Å; R61-S189 PolarHBondContact NH2-O 3.4Å; R61-V191 HydrophobicContact CG-CG1 4.12Å; R61-V191 PolarHBondContact NE-O 3.28Å
62L94.6Very high90.1Very high0 Ų036 Ų360%017%0.172CC..Hα-helixtrans-56.8-48.3176.8-178.561000111.5F51 L53 D58 M59 S64 L65 V66 V79 L93 F163 L188F51-L62 HydrophobicContact CB-CD1 4.12Å; F51-L62 HydrophobicContact CD2-CD1 4.21Å; F51-L62 HydrophobicContact CG-CD1 4.04Å; L53-L62 HydrophobicContact CD1-CD2 3.73Å; L53-L62 HydrophobicContact CD2-CD1 4.48Å; D58-L62 PolarHBondContact O-N 3.28Å; M59-L62 HydrophobicContact SD-CD2 4.13Å; L62-S64 PolarHBondContact O-N 3.22Å; L62-L65 WeakPolarHBondContact O-CA 3.4Å; L62-L65 WeakPolarHBondContact O-CB 3.39Å; L62-L65 PolarHBondContact O-N 2.69Å; L62-V66 HydrophobicContact CG-CG2 4.49Å; L62-V66 WeakPolarHBondContact O-CG2 3.48Å; L62-V66 PolarHBondContact O-N 3.47Å; L62-V79 HydrophobicContact CD2-CG1 3.75Å; L62-V79 HydrophobicContact CD2-CG2 4.48Å; L62-L93 HydrophobicContact CB-CD1 4.37Å; L62-L93 HydrophobicContact CD2-CD1 3.82Å; L62-L93 HydrophobicContact CD2-CD2 3.74Å; L62-L93 HydrophobicContact CD2-CG 4.48Å; L62-L93 HydrophobicContact CG-CD1 4.11Å; L62-F163 HydrophobicContact CD1-CE2 4.48Å; L62-L188 HydrophobicContact CB-CD1 4.26Å; L62-L188 HydrophobicContact CB-CD2 4.07Å
63A92.6Very high89.8Confident4 Ų437.7 Ų37.73%0.03319%0.189CC..Hα-helixtrans-59.1-37.7176.300000112M59 E60 R61 L65 V66 T67 L93 Y96M59-A63 VanDerWaalsContact O-CB 3.26Å; M59-A63 WeakPolarHBondContact O-CB 3.46Å; M59-A63 PolarHBondContact O-N 2.93Å; E60-A63 PolarHBondContact O-N 3.47Å; R61-A63 VanDerWaalsContact C-N 3.34Å; R61-A63 PolarHBondContact O-N 2.88Å; A63-L65 VanDerWaalsContact C-N 3.29Å; A63-L65 PolarHBondContact O-N 2.75Å; A63-V66 PolarHBondContact O-N 3.45Å; A63-T67 WeakPolarHBondContact O-CB 3.4Å; A63-T67 PolarHBondContact O-N 2.72Å; A63-T67 PolarHBondContact O-OG1 3.24Å; A63-L93 HydrophobicContact CB-CD1 4.41Å; A63-Y96 HydrophobicContact CB-CG 4.38Å
64S91.6Very high89.8Confident39 Ų3937.8 Ų37.827%0.27319%0.189SC..Hα-helixtrans-59.2-38.6173.6-1470000112.9E60 R61 L62 T68 K193E60-S64 PolarHBondContact O-N 3.48Å; R61-S64 WeakPolarHBondContact O-CA 3.44Å; R61-S64 WeakPolarHBondContact O-CB 3.25Å; R61-S64 PolarHBondContact O-N 2.92Å; L62-S64 PolarHBondContact O-N 3.22Å; S64-T68 WeakPolarHBondContact O-CB 3Å; S64-T68 PolarHBondContact O-N 3.42Å; S64-T68 PolarHBondContact O-OG1 2.87Å; S64-K193 WeakPolarHBondContact OG-CE 3.43Å
65L94.4Very high89.9Confident2 Ų237.2 Ų37.21%0.0119%0.187CC..Hα-helixtrans-71.4-43.4175.9-59.6179.2000111.6F51 R61 L62 A63 T67 T68 C69 F163 L188 V191 M196F51-L65 HydrophobicContact CE1-CB 4.45Å; F51-L65 HydrophobicContact CE1-CD1 4.5Å; F51-L65 HydrophobicContact CZ-CB 4.18Å; R61-L65 PolarHBondContact O-N 2.71Å; R61-L65 VanDerWaalsContact O-N 3.1Å; L62-L65 WeakPolarHBondContact O-CA 3.4Å; L62-L65 WeakPolarHBondContact O-CB 3.39Å; L62-L65 PolarHBondContact O-N 2.69Å; A63-L65 VanDerWaalsContact C-N 3.29Å; A63-L65 PolarHBondContact O-N 2.75Å; L65-T67 VanDerWaalsContact C-N 3.34Å; L65-T67 PolarHBondContact O-N 2.56Å; L65-T68 WeakPolarHBondContact O-CA 3.42Å; L65-T68 VanDerWaalsContact O-CB 3.31Å; L65-T68 WeakPolarHBondContact O-CB 3.48Å; L65-T68 PolarHBondContact O-N 3.25Å; L65-C69 PolarHBondContact O-N 2.88Å; L65-C69 PolarHBondContact O-SG 3.23Å; L65-F163 HydrophobicContact CD1-CE1 3.56Å; L65-F163 HydrophobicContact CD1-CZ 3.52Å; L65-L188 HydrophobicContact CD1-CD1 3.86Å; L65-V191 HydrophobicContact CD1-CG1 3.75Å; L65-V191 HydrophobicContact CD2-CG1 4.4Å; L65-V191 HydrophobicContact CG-CG1 4.47Å; L65-M196 HydrophobicContact CD2-CB 3.99Å; L65-M196 HydrophobicContact CD2-CG 4.4Å
66V93.8Very high90.4Very high0 Ų036.6 Ų36.60%018%0.184CC..Hα-helixtrans-57.2-48.5174.2173.50000110.2F51 L62 A63 T68 C69 Y70 I77 C97 F108 L110F51-V66 HydrophobicContact CD2-CG2 4.31Å; F51-V66 HydrophobicContact CE2-CG2 4.03Å; L62-V66 HydrophobicContact CG-CG2 4.49Å; L62-V66 WeakPolarHBondContact O-CG2 3.48Å; L62-V66 PolarHBondContact O-N 3.47Å; A63-V66 PolarHBondContact O-N 3.45Å; V66-T68 VanDerWaalsContact C-N 3.27Å; V66-T68 PolarHBondContact O-N 3.26Å; V66-C69 PolarHBondContact O-N 2.87Å; V66-Y70 WeakPolarHBondContact O-CB 3.45Å; V66-Y70 PolarHBondContact O-N 3.07Å; V66-I77 HydrophobicContact CB-CD1 4.47Å; V66-I77 HydrophobicContact CG1-CD1 3.85Å; V66-I77 HydrophobicContact CG2-CG2 4.29Å; V66-C97 HydrophobicContact CG1-CB 4.24Å; V66-F108 HydrophobicContact CG1-CZ 3.82Å; V66-L110 HydrophobicContact CG1-CD1 4.44Å
67T89.5Confident90.9Very high27 Ų2735.4 Ų35.417%0.16618%0.178CC..Hα-helixtrans-59.5-39.5174.3-55.10000111.5A63 L65 Y70 L71 W100A63-T67 WeakPolarHBondContact O-CB 3.4Å; A63-T67 PolarHBondContact O-N 2.72Å; A63-T67 PolarHBondContact O-OG1 3.24Å; L65-T67 VanDerWaalsContact C-N 3.34Å; L65-T67 PolarHBondContact O-N 2.56Å; T67-Y70 PolarHBondContact O-N 2.86Å; T67-L71 HydrophobicContact CG2-CD1 4.05Å; T67-L71 HydrophobicContact CG2-CG 4.3Å; T67-L71 WeakPolarHBondContact O-CB 3.1Å; T67-L71 VanDerWaalsContact O-CG 3.25Å; T67-L71 WeakPolarHBondContact O-CG 3.45Å; T67-L71 PolarHBondContact O-N 3.23Å; T67-W100 HydrophobicContact CG2-CD2 4.2Å; T67-W100 HydrophobicContact CG2-CE3 4.47Å; T67-W100 HydrophobicContact CG2-CH2 4.07Å; T67-W100 HydrophobicContact CG2-CZ2 3.73Å; T67-W100 HydrophobicContact CG2-CZ3 4.43Å; T67-W100 WeakPolarHBondContact OG1-CZ2 3.45Å; T67-W100 PolarHBondContact OG1-NE1 3.24Å; T67-W100 VanDerWaalsContact OG1-NE1 3.11Å
68T90.2Very high91.3Very high0 Ų030.9 Ų30.90%015%0.151CC..Hα-helixtrans-62.6-47.6178.2-61.80000110.8F33 S64 L65 V66 Y70 L71 M72F33-T68 HydrophobicContact CE2-CG2 3.76Å; F33-T68 HydrophobicContact CZ-CG2 3.55Å; S64-T68 WeakPolarHBondContact O-CB 3Å; S64-T68 PolarHBondContact O-N 3.42Å; S64-T68 PolarHBondContact O-OG1 2.87Å; L65-T68 WeakPolarHBondContact O-CA 3.42Å; L65-T68 VanDerWaalsContact O-CB 3.31Å; L65-T68 WeakPolarHBondContact O-CB 3.48Å; L65-T68 PolarHBondContact O-N 3.25Å; V66-T68 VanDerWaalsContact C-N 3.27Å; V66-T68 PolarHBondContact O-N 3.26Å; T68-Y70 PolarHBondContact O-N 2.87Å; T68-L71 PolarHBondContact O-N 2.91Å; T68-M72 WeakPolarHBondContact O-CG 3.16Å; T68-M72 PolarHBondContact O-N 2.96Å; T68-M72 VanDerWaalsContact O-N 3.1Å
69C92.6Very high91.5Very high0 Ų028.2 Ų28.20%014%0.136CC..Hα-helixtrans-60.7-44.8175.6-63.10000111.7I49 L65 V66 L71 M72 G73 I74 I77I49-C69 HydrophobicContact CD1-CB 4.35Å; L65-C69 PolarHBondContact O-N 2.88Å; L65-C69 PolarHBondContact O-SG 3.23Å; V66-C69 PolarHBondContact O-N 2.87Å; C69-L71 VanDerWaalsContact C-N 3.35Å; C69-L71 PolarHBondContact O-N 3.48Å; C69-M72 WeakPolarHBondContact O-CB 3.37Å; C69-M72 PolarHBondContact O-N 3.34Å; C69-M72 VanDerWaalsContact O-N 3.16Å; C69-G73 PolarHBondContact O-N 3.41Å; C69-I74 HydrophobicContact CB-CB 4.23Å; C69-I74 HydrophobicContact CB-CD1 3.94Å; C69-I74 WeakPolarHBondContact O-CB 3.33Å; C69-I74 PolarHBondContact O-N 2.78Å; C69-I74 VanDerWaalsContact O-N 3.07Å; C69-I77 HydrophobicContact CB-CD1 3.64Å
70Y89.6Confident91.7Very high9 Ų928.1 Ų28.14%0.03514%0.136CC..Hα-helixtrans-59.4-44176167.4-84.7000112.4R26 V66 T67 T68 M72 G73 I74 R75 W100 L101 E105 F108R26-Y70 PolarHBondContact NE-OH 3.27Å; V66-Y70 WeakPolarHBondContact O-CB 3.45Å; V66-Y70 PolarHBondContact O-N 3.07Å; T67-Y70 PolarHBondContact O-N 2.86Å; T68-Y70 PolarHBondContact O-N 2.87Å; Y70-M72 PolarHBondContact O-N 3.16Å; Y70-G73 PolarHBondContact O-N 2.9Å; Y70-I74 WeakPolarHBondContact CA-O 3.38Å; Y70-R75 VanDerWaalsContact CD2-NH1 3.27Å; Y70-R75 PolarHBondContact O-NH1 3.25Å; Y70-W100 HydrophobicContact CD1-CE3 4.5Å; Y70-W100 AromaticContact CD1-CH2 3.27Å; Y70-W100 HydrophobicContact CD1-CH2 3.27Å; Y70-W100 AromaticContact CD1-CZ3 3.23Å; Y70-W100 HydrophobicContact CD1-CZ3 3.23Å; Y70-W100 HydrophobicContact CD2-CH2 4.05Å; Y70-W100 HydrophobicContact CD2-CZ3 4.35Å; Y70-W100 AromaticContact CE1-CH2 3.93Å; Y70-W100 HydrophobicContact CE1-CH2 3.93Å; Y70-W100 AromaticContact CE1-CZ3 3.39Å; Y70-W100 HydrophobicContact CE1-CZ3 3.39Å; Y70-W100 HydrophobicContact CE2-CZ3 4.45Å; Y70-W100 AromaticContact CG-CH2 3.38Å; Y70-W100 HydrophobicContact CG-CH2 3.38Å; Y70-W100 AromaticContact CG-CZ3 3.78Å; Y70-W100 HydrophobicContact CG-CZ3 3.78Å; Y70-L101 HydrophobicContact CD2-CD2 4.41Å; Y70-L101 HydrophobicContact CE2-CD2 3.98Å; Y70-E105 VanDerWaalsContact CE2-OE1 3.29Å; Y70-E105 WeakPolarHBondContact CE2-OE1 3.44Å; Y70-E105 VanDerWaalsContact CZ-OE1 3.29Å; Y70-E105 PolarHBondContact OH-OE1 2.88Å; Y70-E105 PolarHBondContact OH-OE2 2.98Å; Y70-F108 AromaticContact CD2-CD2 3.77Å; Y70-F108 HydrophobicContact CD2-CD2 3.77Å; Y70-F108 HydrophobicContact CD2-CE2 4.24Å; Y70-F108 HydrophobicContact CD2-CG 4.28Å
71L85.9Confident91.7Very high27 Ų2723.3 Ų23.314%0.14111%0.113CC..Hα-helixtrans-65.9-28.8179.6-72.7174.2000112.1R29 F33 T67 T68 C69 G73R29-L71 HydrophobicContact CB-CD2 4.45Å; F33-L71 HydrophobicContact CD2-CD1 4.43Å; T67-L71 HydrophobicContact CG2-CD1 4.05Å; T67-L71 HydrophobicContact CG2-CG 4.3Å; T67-L71 WeakPolarHBondContact O-CB 3.1Å; T67-L71 VanDerWaalsContact O-CG 3.25Å; T67-L71 WeakPolarHBondContact O-CG 3.45Å; T67-L71 PolarHBondContact O-N 3.23Å; T68-L71 PolarHBondContact O-N 2.91Å; C69-L71 VanDerWaalsContact C-N 3.35Å; C69-L71 PolarHBondContact O-N 3.48Å; L71-G73 PolarHBondContact O-N 2.79Å
72M86.8Confident91.6Very high29 Ų2921.8 Ų21.814%0.14311%0.109CC..Hα-helixtrans-72.2-16.7172.2-69.8-61.5-70.900113.3F33 P42 L45 T68 C69 Y70 I74 L197 L200F33-M72 HydrophobicContact CD1-SD 4.14Å; F33-M72 HydrophobicContact CE1-CG 4.08Å; F33-M72 HydrophobicContact CE1-SD 3.46Å; F33-M72 WeakPolarHBondContact CE1-SD 3.4Å; F33-M72 HydrophobicContact CZ-SD 4.39Å; P42-M72 HydrophobicContact CG-CE 3.69Å; L45-M72 WeakPolarHBondContact CD1-O 3.37Å; L45-M72 HydrophobicContact CD2-CE 4.29Å; T68-M72 WeakPolarHBondContact O-CG 3.16Å; T68-M72 PolarHBondContact O-N 2.96Å; T68-M72 VanDerWaalsContact O-N 3.1Å; C69-M72 WeakPolarHBondContact O-CB 3.37Å; C69-M72 PolarHBondContact O-N 3.34Å; C69-M72 VanDerWaalsContact O-N 3.16Å; Y70-M72 PolarHBondContact O-N 3.16Å; M72-I74 HydrophobicContact CB-CD1 4.11Å; M72-L197 HydrophobicContact CE-CD2 4.13Å; M72-L197 HydrophobicContact CG-CD2 4.31Å; M72-L197 HydrophobicContact SD-CD2 3.97Å; M72-L200 HydrophobicContact CB-CD1 4.46Å; M72-L200 HydrophobicContact CG-CD1 4.09Å
73G88.5Confident91.2Very high34 Ų3426 Ų2635%0.35113%0.128SC..THydrogen-bonded Turntrans1071.6178.800000114.2C69 Y70 L71 R75C69-G73 PolarHBondContact O-N 3.41Å; Y70-G73 PolarHBondContact O-N 2.9Å; L71-G73 PolarHBondContact O-N 2.79Å; G73-R75 PolarHBondContact O-N 3.39Å
74I92Very high90.9Very high3 Ų329.7 Ų29.72%0.01516%0.155CC..  trans-70.6129.1171.3-61.3127.7000108.2L45 P46 I49 C69 Y70 M72 R76 I77 L200L45-I74 HydrophobicContact CD2-CD1 4.37Å; P46-I74 HydrophobicContact CG-CD1 4.4Å; P46-I74 HydrophobicContact CG-CG1 4.26Å; P46-I74 WeakPolarHBondContact O-CG1 3.38Å; I49-I74 HydrophobicContact CB-CG2 4.44Å; I49-I74 HydrophobicContact CD1-CB 4.45Å; I49-I74 HydrophobicContact CD1-CD1 3.5Å; I49-I74 VanDerWaalsContact CD1-CD1 3.5Å; I49-I74 HydrophobicContact CD1-CG1 3.96Å; I49-I74 HydrophobicContact CD1-CG2 4.06Å; I49-I74 HydrophobicContact CG1-CG2 3.99Å; C69-I74 HydrophobicContact CB-CB 4.23Å; C69-I74 HydrophobicContact CB-CD1 3.94Å; C69-I74 WeakPolarHBondContact O-CB 3.33Å; C69-I74 PolarHBondContact O-N 2.78Å; C69-I74 VanDerWaalsContact O-N 3.07Å; Y70-I74 WeakPolarHBondContact CA-O 3.38Å; M72-I74 HydrophobicContact CB-CD1 4.11Å; I74-R76 WeakPolarHBondContact CG2-O 3.47Å; I74-I77 HydrophobicContact CG2-CG1 4.08Å; I74-L200 HydrophobicContact CD1-CD1 4.11Å; I74-L200 HydrophobicContact CD1-CD2 3.94Å
75R91.3Very high90.6Very high67 Ų6730.1 Ų30.125%0.25315%0.15SC..  trans-112.3-25.2-173.7-67.7-69.8175.7-103.911.2113.6Y70 G73 E105 F108 T109Y70-R75 VanDerWaalsContact CD2-NH1 3.27Å; Y70-R75 PolarHBondContact O-NH1 3.25Å; G73-R75 PolarHBondContact O-N 3.39Å; R75-E105 IonicContact NH2-OE1 3.92Å; R75-F108 WeakPolarHBondContact O-CA 3.24Å; R75-F108 VanDerWaalsContact O-CD2 3.31Å; R75-F108 WeakPolarHBondContact O-CD2 3.3Å; R75-T109 PolarHBondContact O-N 2.98Å
76R93.7Very high90.2Very high124 Ų12433.8 Ų33.847%0.46817%0.17SC..EExtended strand (participates in β ladder)trans-104.9122.4174.3-64.2-173.4-177.7-178.17.2109.8H48 I49 I74 D155H48-R76 WeakPolarHBondContact CA-O 3.43Å; H48-R76 HydrophobicContact CB-CB 4.11Å; H48-R76 PolarHBondContact CD2-O 2.9Å; I49-R76 PolarHBondContact N-O 2.82Å; I49-R76 VanDerWaalsContact N-O 3.16Å; I74-R76 WeakPolarHBondContact CG2-O 3.47Å; R76-D155 IonicContact CZ-OD2 3.8Å; R76-D155 IonicContact NH1-OD2 2.81Å; R76-D155 PolarHBondContact NH1-OD2 3.41Å
77I94.4Very high89.7Confident1 Ų138.7 Ų38.71%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-133.9127.7178.5-58.9180000108.6I49 F51 V66 C69 I74 F108 T109 L110 T111I49-I77 CarbonylContact O-C 3.52Å; I49-I77 VanDerWaalsContact O-CA 3.26Å; I49-I77 WeakPolarHBondContact O-CA 3.32Å; F51-I77 HydrophobicContact CD2-CG2 3.74Å; F51-I77 HydrophobicContact CE2-CG2 3.66Å; V66-I77 HydrophobicContact CB-CD1 4.47Å; V66-I77 HydrophobicContact CG1-CD1 3.85Å; V66-I77 HydrophobicContact CG2-CG2 4.29Å; C69-I77 HydrophobicContact CB-CD1 3.64Å; I74-I77 HydrophobicContact CG2-CG1 4.08Å; I77-F108 HydrophobicContact CD1-CE2 3.88Å; I77-F108 HydrophobicContact CD1-CZ 4.34Å; I77-F108 HydrophobicContact CG1-CE2 4.26Å; I77-T109 PolarHBondContact N-O 3.07Å; I77-L110 HydrophobicContact CB-CD1 4.08Å; I77-L110 HydrophobicContact CG2-CD1 3.98Å; I77-L110 CarbonylContact O-C 3.59Å; I77-L110 VanDerWaalsContact O-CA 3.3Å; I77-L110 WeakPolarHBondContact O-CA 3.48Å; I77-T111 PolarHBondContact O-N 2.84Å
78S94Very high89.5Confident2 Ų241.6 Ų41.61%0.01422%0.218CC..EExtended strand (participates in β ladder)trans-106.5141.5170.4-70.20000110.6H48 I49 A50 F51 T111H48-S78 PolarHBondContact CE1-OG 2.72Å; H48-S78 VanDerWaalsContact CE1-OG 3.28Å; H48-S78 WeakPolarHBondContact NE2-CB 3.37Å; H48-S78 PolarHBondContact NE2-OG 3.3Å; I49-S78 PolarHBondContact O-N 3.34Å; A50-S78 CarbonylContact C-O 3.52Å; A50-S78 VanDerWaalsContact CA-O 3.28Å; A50-S78 WeakPolarHBondContact CA-O 3.37Å; F51-S78 PolarHBondContact N-O 2.91Å; S78-T111 CarbonylContact C-O 3.53Å; S78-T111 WeakPolarHBondContact CA-O 3.28Å
79V93.9Very high89.2Confident0 Ų042.4 Ų42.40%022%0.223CC..EExtended strand (participates in β ladder)trans-121.1110.5172.3-176.10000107.8F51 L53 L62 W85 L93 L110 T111 L113F51-V79 HydrophobicContact CD2-CG2 4.42Å; L53-V79 HydrophobicContact CD1-CG1 3.59Å; L53-V79 HydrophobicContact CG-CG1 4.38Å; L62-V79 HydrophobicContact CD2-CG1 3.75Å; L62-V79 HydrophobicContact CD2-CG2 4.48Å; V79-W85 HydrophobicContact CB-CZ2 4.24Å; V79-W85 HydrophobicContact CG1-CH2 3.88Å; V79-W85 HydrophobicContact CG1-CZ2 3.73Å; V79-L93 HydrophobicContact CG1-CD2 4.16Å; V79-L93 HydrophobicContact CG2-CD2 4.41Å; V79-L110 HydrophobicContact CG2-CD1 3.92Å; V79-T111 PolarHBondContact N-O 2.92Å; V79-L113 PolarHBondContact O-N 3.16Å
80Y93.3Very high88.7Confident0 Ų044.1 Ų44.10%024%0.235CC..EExtended strand (participates in β ladder)trans-96.9134.9174.2172.3-90.1000110.5F51 A52 L53 F82 L113 S114 V170 G171 Y172F51-Y80 PolarHBondContact O-N 3.46Å; A52-Y80 HydrophobicContact CB-CD1 4.2Å; L53-Y80 WeakPolarHBondContact CB-O 3.49Å; L53-Y80 WeakPolarHBondContact CG-O 3.16Å; L53-Y80 PolarHBondContact N-O 2.82Å; Y80-F82 HydrophobicContact CE1-CB 4.22Å; Y80-L113 CarbonylContact C-O 3.59Å; Y80-L113 WeakPolarHBondContact CA-O 3.39Å; Y80-L113 HydrophobicContact CD2-CB 3.92Å; Y80-S114 VanDerWaalsContact CE2-C 3.44Å; Y80-S114 VanDerWaalsContact CE2-O 3.25Å; Y80-S114 WeakPolarHBondContact CE2-O 3.32Å; Y80-V170 HydrophobicContact CE1-CB 4.48Å; Y80-V170 HydrophobicContact CE1-CG1 4.21Å; Y80-V170 VanDerWaalsContact CE1-O 3.3Å; Y80-V170 WeakPolarHBondContact CE1-O 3.44Å; Y80-V170 PolarHBondContact OH-O 3.35Å; Y80-G171 VanDerWaalsContact CZ-C 3.47Å; Y80-G171 PolarHBondContact OH-O 3.29Å; Y80-Y172 VanDerWaalsContact CB-CE2 3.41Å; Y80-Y172 HydrophobicContact CD1-CD2 4.13Å; Y80-Y172 HydrophobicContact CD2-CD2 4.09Å; Y80-Y172 AromaticContact CG-CD2 3.58Å; Y80-Y172 HydrophobicContact CG-CD2 3.58Å; Y80-Y172 HydrophobicContact CG-CE2 4.15Å; Y80-Y172 HydrophobicContact CG-CG 4.43Å
81R91.2Very high88.5Confident17 Ų1746.2 Ų46.26%0.06425%0.251CS..EExtended strand (participates in β ladder)trans-122.9132.6168.7-168.6178.4168.2-149.1-3.2109.5L53 E83 S84 W85 L89 L113 S114 R115L53-R81 HydrophobicContact CB-CB 4.5Å; L53-R81 HydrophobicContact CB-CG 4.38Å; L53-R81 WeakPolarHBondContact O-CA 3.47Å; R81-E83 VanDerWaalsContact C-N 3.26Å; R81-E83 CarbonylContact C-O 3.49Å; R81-E83 WeakPolarHBondContact CB-O 3.47Å; R81-E83 HydrophobicContact CG-CB 4.34Å; R81-E83 WeakPolarHBondContact CG-O 3.26Å; R81-E83 IonicContact CZ-OE2 3.83Å; R81-E83 IonicContact NE-OE2 2.8Å; R81-E83 IonicContact NH2-OE2 3.54Å; R81-E83 PolarHBondContact NH2-OE2 3.26Å; R81-E83 PolarHBondContact O-N 2.74Å; R81-E83 VanDerWaalsContact O-O 3.11Å; R81-S84 PolarHBondContact NH1-O 2.55Å; R81-W85 HydrophobicContact CB-CZ2 4.07Å; R81-L89 VanDerWaalsContact NH1-CD1 3.28Å; R81-L113 PolarHBondContact N-O 3.27Å; R81-S114 VanDerWaalsContact O-CA 3.24Å; R81-S114 WeakPolarHBondContact O-CA 3.47Å; R81-R115 PolarHBondContact O-N 2.82Å
82F89.4Confident88.5Confident72 Ų7249.6 Ų49.632%0.31626%0.261SS..SBendtrans-63-37.7177-176.5-104.3000111.9L53 Y80 R115 V170L53-F82 PolarHBondContact O-N 3.39Å; Y80-F82 HydrophobicContact CE1-CB 4.22Å; F82-R115 WeakPolarHBondContact O-CB 3.29Å; F82-V170 HydrophobicContact CB-CG1 4.03Å; F82-V170 VanDerWaalsContact CD2-O 3.24Å; F82-V170 WeakPolarHBondContact CD2-O 3.48Å
83E87.3Confident88.5Confident88 Ų8848.2 Ų48.241%0.41126%0.255SS..SBendtrans-79.5155.8169.9-65.1178.6172.600111.3R81R81-E83 VanDerWaalsContact C-N 3.26Å; R81-E83 CarbonylContact C-O 3.49Å; R81-E83 WeakPolarHBondContact CB-O 3.47Å; R81-E83 HydrophobicContact CG-CB 4.34Å; R81-E83 WeakPolarHBondContact CG-O 3.26Å; R81-E83 IonicContact CZ-OE2 3.83Å; R81-E83 IonicContact NE-OE2 2.8Å; R81-E83 IonicContact NH2-OE2 3.54Å; R81-E83 PolarHBondContact NH2-OE2 3.26Å; R81-E83 PolarHBondContact O-N 2.74Å; R81-E83 VanDerWaalsContact O-O 3.11Å
84S84.9Confident88.4Confident83 Ų8347.9 Ų47.958%0.5825%0.249SC*.PPolyproline II helixtrans-63.9146.9176.752.90000112.2R81 N86R81-S84 PolarHBondContact NH1-O 2.55Å; S84-N86 PolarHBondContact O-N 3.47Å
85W86.1Confident88.1Confident48 Ų4852.7 Ų52.718%0.18227%0.273CS..PPolyproline II helixtrans-70.1124.7169.4-70.597.2000109.4M59 V79 R81 L89 L93 Y112 L113M59-W85 HydrophobicContact SD-CZ3 4.43Å; V79-W85 HydrophobicContact CB-CZ2 4.24Å; V79-W85 HydrophobicContact CG1-CH2 3.88Å; V79-W85 HydrophobicContact CG1-CZ2 3.73Å; R81-W85 HydrophobicContact CB-CZ2 4.07Å; W85-L89 HydrophobicContact CE3-CB 4.25Å; W85-L89 HydrophobicContact CZ3-CB 4.37Å; W85-L93 HydrophobicContact CH2-CD2 3.5Å; W85-L93 HydrophobicContact CZ3-CD2 3.92Å; W85-Y112 HydrophobicContact CH2-CD1 4.08Å; W85-Y112 AromaticContact CZ2-CD1 3.94Å; W85-Y112 HydrophobicContact CZ2-CD1 3.94Å; W85-Y112 HydrophobicContact CZ3-CD1 4.45Å; W85-L113 PolarHBondContact NE1-O 3.46Å
86N85.8Confident87.9Confident79 Ų7953 Ų5342%0.42228%0.275SS..PPolyproline II helixtrans-89.2159.6161.669.326.1000109.3S84 D88 L89 S90S84-N86 PolarHBondContact O-N 3.47Å; N86-D88 VanDerWaalsContact C-N 3.26Å; N86-D88 PolarHBondContact O-N 3.31Å; N86-D88 PolarHBondContact OD1-N 2.89Å; N86-L89 PolarHBondContact O-N 2.87Å; N86-L89 WeakPolarHBondContact OD1-CB 3.06Å; N86-L89 WeakPolarHBondContact OD1-CD1 3.18Å; N86-L89 PolarHBondContact OD1-N 3.07Å; N86-S90 PolarHBondContact O-N 3.11Å; N86-S90 PolarHBondContact O-OG 3.45Å; N86-S90 VanDerWaalsContact O-OG 3.08Å
87S83.2Confident87.5Confident103 Ų10347.1 Ų47.172%0.7225%0.253SS*.Hα-helixtrans-62.4-30.9-17650.60000113.4S90 S91S87-S90 PolarHBondContact O-OG 2.91Å; S87-S91 VanDerWaalsContact O-CB 3.3Å; S87-S91 WeakPolarHBondContact O-CB 3.13Å; S87-S91 PolarHBondContact O-N 2.92Å; S87-S91 PolarHBondContact O-OG 3.23Å
88D86Confident86.9Confident87 Ų8750.1 Ų50.147%0.46527%0.271SS..Hα-helixtrans-70-49.7177.8-177.564.4000112.1N86 S90 S91 R92N86-D88 VanDerWaalsContact C-N 3.26Å; N86-D88 PolarHBondContact O-N 3.31Å; N86-D88 PolarHBondContact OD1-N 2.89Å; D88-S90 PolarHBondContact O-N 2.88Å; D88-S91 PolarHBondContact O-N 3.37Å; D88-S91 PolarHBondContact O-OG 3.4Å; D88-R92 WeakPolarHBondContact O-CB 3.28Å; D88-R92 VanDerWaalsContact O-CG 3.24Å; D88-R92 WeakPolarHBondContact O-CG 3.02Å; D88-R92 PolarHBondContact O-N 2.84Å; D88-R92 WeakPolarHBondContact OD2-CD 3.38Å; D88-R92 IonicContact OD2-NH1 2.72Å
89L83.4Confident86.4Confident18 Ų1854.2 Ų54.29%0.09430%0.3CS..Hα-helixtrans-64.4-43.5-178.8-87.1152.8000112.2M59 R81 W85 N86 R92 L93M59-L89 HydrophobicContact CE-CD2 3.84Å; M59-L89 HydrophobicContact CG-CD2 3.64Å; M59-L89 HydrophobicContact SD-CD2 4.05Å; R81-L89 VanDerWaalsContact NH1-CD1 3.28Å; W85-L89 HydrophobicContact CE3-CB 4.25Å; W85-L89 HydrophobicContact CZ3-CB 4.37Å; N86-L89 PolarHBondContact O-N 2.87Å; N86-L89 WeakPolarHBondContact OD1-CB 3.06Å; N86-L89 WeakPolarHBondContact OD1-CD1 3.18Å; N86-L89 PolarHBondContact OD1-N 3.07Å; L89-R92 PolarHBondContact O-N 3.08Å; L89-L93 WeakPolarHBondContact O-CB 3.04Å; L89-L93 PolarHBondContact O-N 2.93Å
90S82.9Confident85.7Confident35 Ų3556.3 Ų56.325%0.24531%0.308CS..Hα-helixtrans-65-42.5178.956.40000111.6N86 S87 D88 A94N86-S90 PolarHBondContact O-N 3.11Å; N86-S90 PolarHBondContact O-OG 3.45Å; N86-S90 VanDerWaalsContact O-OG 3.08Å; S87-S90 PolarHBondContact O-OG 2.91Å; D88-S90 PolarHBondContact O-N 2.88Å; S90-A94 VanDerWaalsContact O-CB 3.28Å; S90-A94 WeakPolarHBondContact O-CB 3.27Å; S90-A94 PolarHBondContact O-N 3.26Å
91S84.9Confident85Confident53 Ų5357.5 Ų57.537%0.37131%0.314SS..Hα-helixtrans-66.5-42.1176.459.90000112.5S87 D88 A94 I95S87-S91 VanDerWaalsContact O-CB 3.3Å; S87-S91 WeakPolarHBondContact O-CB 3.13Å; S87-S91 PolarHBondContact O-N 2.92Å; S87-S91 PolarHBondContact O-OG 3.23Å; D88-S91 PolarHBondContact O-N 3.37Å; D88-S91 PolarHBondContact O-OG 3.4Å; S91-A94 PolarHBondContact O-N 2.97Å; S91-I95 WeakPolarHBondContact O-CD1 3.44Å; S91-I95 VanDerWaalsContact O-CG1 3.24Å; S91-I95 WeakPolarHBondContact O-CG1 3.15Å; S91-I95 PolarHBondContact O-N 3.25Å
92R86.3Confident84.2Confident98 Ų9857.5 Ų57.537%0.3732%0.316SS..Hα-helixtrans-60.2-49.6174.9-74.2176.265.1-163.2-2.1111.8D88 L89 A94 I95 Y96D88-R92 WeakPolarHBondContact O-CB 3.28Å; D88-R92 VanDerWaalsContact O-CG 3.24Å; D88-R92 WeakPolarHBondContact O-CG 3.02Å; D88-R92 PolarHBondContact O-N 2.84Å; D88-R92 WeakPolarHBondContact OD2-CD 3.38Å; D88-R92 IonicContact OD2-NH1 2.72Å; L89-R92 PolarHBondContact O-N 3.08Å; R92-A94 VanDerWaalsContact C-N 3.33Å; R92-A94 PolarHBondContact O-N 3.35Å; R92-I95 PolarHBondContact O-N 3.23Å; R92-Y96 HydrophobicContact CB-CE2 4.28Å; R92-Y96 WeakPolarHBondContact O-CD2 3.24Å; R92-Y96 PolarHBondContact O-N 2.91Å
93L87Confident83.4Confident0 Ų063.8 Ų63.80%035%0.347CS..Hα-helixtrans-62.7-42.3178.7-176.859.1000111.2M59 L62 A63 V79 W85 L89 I95 Y96 C97 Y112M59-L93 HydrophobicContact CB-CD1 4.33Å; M59-L93 HydrophobicContact SD-CB 4.07Å; M59-L93 HydrophobicContact SD-CD1 4.13Å; M59-L93 HydrophobicContact SD-CD2 3.98Å; M59-L93 HydrophobicContact SD-CG 4.3Å; L62-L93 HydrophobicContact CB-CD1 4.37Å; L62-L93 HydrophobicContact CD2-CD1 3.82Å; L62-L93 HydrophobicContact CD2-CD2 3.74Å; L62-L93 HydrophobicContact CD2-CG 4.48Å; L62-L93 HydrophobicContact CG-CD1 4.11Å; A63-L93 HydrophobicContact CB-CD1 4.41Å; V79-L93 HydrophobicContact CG1-CD2 4.16Å; V79-L93 HydrophobicContact CG2-CD2 4.41Å; W85-L93 HydrophobicContact CH2-CD2 3.5Å; W85-L93 HydrophobicContact CZ3-CD2 3.92Å; L89-L93 WeakPolarHBondContact O-CB 3.04Å; L89-L93 PolarHBondContact O-N 2.93Å; L93-I95 PolarHBondContact O-N 3.47Å; L93-Y96 PolarHBondContact O-N 2.75Å; L93-C97 VanDerWaalsContact CD1-SG 3.55Å; L93-C97 VanDerWaalsContact O-CB 3.24Å; L93-C97 WeakPolarHBondContact O-CB 3.42Å; L93-C97 PolarHBondContact O-N 2.92Å; L93-C97 PolarHBondContact O-SG 3.01Å; L93-Y112 HydrophobicContact CB-CE1 4.45Å; L93-Y112 HydrophobicContact CD2-CD1 4.21Å; L93-Y112 HydrophobicContact CD2-CE1 3.69Å; L93-Y112 HydrophobicContact CG-CE1 4.07Å
94A85.7Confident82.5Confident27 Ų2764.5 Ų64.522%0.22336%0.357CS..Hα-helixtrans-56-50174.400000111S90 S91 R92 Y96 C97 T98 Y112S90-A94 VanDerWaalsContact O-CB 3.28Å; S90-A94 WeakPolarHBondContact O-CB 3.27Å; S90-A94 PolarHBondContact O-N 3.26Å; S91-A94 PolarHBondContact O-N 2.97Å; R92-A94 VanDerWaalsContact C-N 3.33Å; R92-A94 PolarHBondContact O-N 3.35Å; A94-Y96 PolarHBondContact O-N 2.92Å; A94-C97 PolarHBondContact O-N 2.89Å; A94-T98 WeakPolarHBondContact O-CB 3.5Å; A94-T98 WeakPolarHBondContact O-CG2 3.44Å; A94-T98 PolarHBondContact O-N 3.17Å; A94-T98 PolarHBondContact O-OG1 2.83Å; A94-Y112 WeakPolarHBondContact CA-OH 3.28Å; A94-Y112 WeakPolarHBondContact CB-OH 3.28Å
95I85.4Confident81.8Confident105 Ų10562.2 Ų62.254%0.53834%0.337SS..Hα-helixtrans-58.6-48.6178.4-68162.9000111.1S91 R92 L93 C97 T98 S99S91-I95 WeakPolarHBondContact O-CD1 3.44Å; S91-I95 VanDerWaalsContact O-CG1 3.24Å; S91-I95 WeakPolarHBondContact O-CG1 3.15Å; S91-I95 PolarHBondContact O-N 3.25Å; R92-I95 PolarHBondContact O-N 3.23Å; L93-I95 PolarHBondContact O-N 3.47Å; I95-C97 VanDerWaalsContact C-N 3.3Å; I95-C97 PolarHBondContact O-N 3.29Å; I95-T98 PolarHBondContact O-N 2.78Å; I95-S99 WeakPolarHBondContact O-CB 3.39Å; I95-S99 PolarHBondContact O-N 3.44Å; I95-S99 PolarHBondContact O-OG 3.31Å
96Y86.7Confident81Confident73 Ų7369.5 Ų69.529%0.28637%0.37SS..Hα-helixtrans-64.9-35.6-180-68.5-60.9000112.5M59 E60 A63 R92 L93 A94 W100M59-Y96 HydrophobicContact CB-CD2 4.31Å; M59-Y96 HydrophobicContact CB-CE2 4.47Å; E60-Y96 HydrophobicContact CG-CD1 4.26Å; E60-Y96 HydrophobicContact CG-CD2 4.38Å; E60-Y96 HydrophobicContact CG-CE1 3.66Å; E60-Y96 HydrophobicContact CG-CE2 3.83Å; E60-Y96 VanDerWaalsContact CG-CZ 3.42Å; E60-Y96 WeakPolarHBondContact CG-OH 3.26Å; E60-Y96 PolarHBondContact OE1-OH 3.29Å; A63-Y96 HydrophobicContact CB-CG 4.38Å; R92-Y96 HydrophobicContact CB-CE2 4.28Å; R92-Y96 WeakPolarHBondContact O-CD2 3.24Å; R92-Y96 PolarHBondContact O-N 2.91Å; L93-Y96 PolarHBondContact O-N 2.75Å; A94-Y96 PolarHBondContact O-N 2.92Å; Y96-W100 VanDerWaalsContact O-CD1 3.31Å; Y96-W100 PolarHBondContact O-NE1 2.97Å; Y96-W100 VanDerWaalsContact O-NE1 3.08Å
97C85.1Confident80.9Confident0 Ų072.6 Ų72.60%038%0.382CS..Hα-helixtrans-80.2-28.2-179.2-71.90000113.7V66 L93 A94 I95 W100 L101 L110V66-C97 HydrophobicContact CG1-CB 4.24Å; L93-C97 VanDerWaalsContact CD1-SG 3.55Å; L93-C97 VanDerWaalsContact O-CB 3.24Å; L93-C97 WeakPolarHBondContact O-CB 3.42Å; L93-C97 PolarHBondContact O-N 2.92Å; L93-C97 PolarHBondContact O-SG 3.01Å; A94-C97 PolarHBondContact O-N 2.89Å; I95-C97 VanDerWaalsContact C-N 3.3Å; I95-C97 PolarHBondContact O-N 3.29Å; C97-W100 WeakPolarHBondContact O-CZ2 3.33Å; C97-W100 PolarHBondContact O-NE1 3.44Å; C97-W100 VanDerWaalsContact O-NE1 3.07Å; C97-L101 WeakPolarHBondContact O-CD1 3.38Å; C97-L110 HydrophobicContact CB-CD2 3.56Å
98T82.3Confident81.1Confident65 Ų6569 Ų6940%0.39935%0.354SS..Hα-helixtrans-116.2-16.9-171.868.30000115.1A94 I95 W100 L101A94-T98 WeakPolarHBondContact O-CB 3.5Å; A94-T98 WeakPolarHBondContact O-CG2 3.44Å; A94-T98 PolarHBondContact O-N 3.17Å; A94-T98 PolarHBondContact O-OG1 2.83Å; I95-T98 PolarHBondContact O-N 2.78Å; T98-W100 PolarHBondContact O-N 3.09Å; T98-L101 WeakPolarHBondContact O-CB 3.2Å; T98-L101 PolarHBondContact O-N 2.93Å
99S83.1Confident81.3Confident88 Ų8867.8 Ų67.862%0.61535%0.35SS*.THydrogen-bonded Turntrans-56.6-23.2-179.553.20000114.6I95I95-S99 WeakPolarHBondContact O-CB 3.39Å; I95-S99 PolarHBondContact O-N 3.44Å; I95-S99 PolarHBondContact O-OG 3.31Å
100W81Confident81.6Confident44 Ų4468.3 Ų68.317%0.16735%0.352CS..THydrogen-bonded Turntrans-100.4-5.8178.857-94.6000113.6R29 T67 Y70 Y96 C97 T98R29-W100 PolarHBondContact NH1-O 2.88Å; T67-W100 HydrophobicContact CG2-CD2 4.2Å; T67-W100 HydrophobicContact CG2-CE3 4.47Å; T67-W100 HydrophobicContact CG2-CH2 4.07Å; T67-W100 HydrophobicContact CG2-CZ2 3.73Å; T67-W100 HydrophobicContact CG2-CZ3 4.43Å; T67-W100 WeakPolarHBondContact OG1-CZ2 3.45Å; T67-W100 PolarHBondContact OG1-NE1 3.24Å; T67-W100 VanDerWaalsContact OG1-NE1 3.11Å; Y70-W100 HydrophobicContact CD1-CE3 4.5Å; Y70-W100 AromaticContact CD1-CH2 3.27Å; Y70-W100 HydrophobicContact CD1-CH2 3.27Å; Y70-W100 AromaticContact CD1-CZ3 3.23Å; Y70-W100 HydrophobicContact CD1-CZ3 3.23Å; Y70-W100 HydrophobicContact CD2-CH2 4.05Å; Y70-W100 HydrophobicContact CD2-CZ3 4.35Å; Y70-W100 AromaticContact CE1-CH2 3.93Å; Y70-W100 HydrophobicContact CE1-CH2 3.93Å; Y70-W100 AromaticContact CE1-CZ3 3.39Å; Y70-W100 HydrophobicContact CE1-CZ3 3.39Å; Y70-W100 HydrophobicContact CE2-CZ3 4.45Å; Y70-W100 AromaticContact CG-CH2 3.38Å; Y70-W100 HydrophobicContact CG-CH2 3.38Å; Y70-W100 AromaticContact CG-CZ3 3.78Å; Y70-W100 HydrophobicContact CG-CZ3 3.78Å; Y96-W100 VanDerWaalsContact O-CD1 3.31Å; Y96-W100 PolarHBondContact O-NE1 2.97Å; Y96-W100 VanDerWaalsContact O-NE1 3.08Å; C97-W100 WeakPolarHBondContact O-CZ2 3.33Å; C97-W100 PolarHBondContact O-NE1 3.44Å; C97-W100 VanDerWaalsContact O-NE1 3.07Å; T98-W100 PolarHBondContact O-N 3.09Å
101L78.7Confident81.9Confident25 Ų2568.5 Ų68.513%0.13135%0.352CS..SBendtrans-83.4131.5173.4-89.5107.9000110.2Y70 C97 T98 E105 F108Y70-L101 HydrophobicContact CD2-CD2 4.41Å; Y70-L101 HydrophobicContact CE2-CD2 3.98Å; C97-L101 WeakPolarHBondContact O-CD1 3.38Å; T98-L101 WeakPolarHBondContact O-CB 3.2Å; T98-L101 PolarHBondContact O-N 2.93Å; L101-E105 HydrophobicContact CD2-CB 4.18Å; L101-E105 HydrophobicContact CD2-CG 4.15Å; L101-E105 WeakPolarHBondContact CD2-OE2 3.41Å; L101-F108 HydrophobicContact CD1-CD1 4Å; L101-F108 HydrophobicContact CD1-CE1 4.12Å; L101-F108 HydrophobicContact CD2-CB 3.64Å; L101-F108 HydrophobicContact CD2-CD1 3.71Å; L101-F108 HydrophobicContact CD2-CG 3.78Å
102P73.6Confident82.1Confident16 Ų1669.4 Ų69.410%0.10435%0.348CS..  trans-61140.2167-27.838000112.4T104 E105P102-T104 PolarHBondContact O-N 3.27Å; P102-E105 WeakPolarHBondContact O-CB 3.36Å; P102-E105 PolarHBondContact O-N 2.87Å
103E72.6Confident82.3Confident204 Ų20464.9 Ų64.995%0.95333%0.331SS*.THydrogen-bonded Turntrans-57.1-20.3178.7-66.1-174.8165.600113.8E105E103-E105 VanDerWaalsContact C-N 3.26Å; E103-E105 PolarHBondContact O-N 3.37Å
104T67.5Low82.5Confident103 Ų10365.5 Ų65.563%0.63234%0.335SS*.THydrogen-bonded Turntrans-77.5-9-179.352.60000113.9P102 K106P102-T104 PolarHBondContact O-N 3.27Å; T104-K106 PolarHBondContact O-N 3.26Å; T104-K106 VanDerWaalsContact O-N 3.08Å
105E70.7Confident82.6Confident35 Ų3570.5 Ų70.516%0.16435%0.348CS..  trans-87.382.7-172-161.5155.3-150.100112.4R26 Y70 R75 L101 P102 E103 E107R26-E105 IonicContact CZ-OE1 3.61Å; R26-E105 IonicContact CZ-OE2 2.65Å; R26-E105 VanDerWaalsContact CZ-OE2 3.31Å; R26-E105 IonicContact NE-OE2 3.8Å; R26-E105 IonicContact NH2-OE1 2.68Å; R26-E105 IonicContact NH2-OE2 3.6Å; R26-E105 PolarHBondContact NH2-OE2 2.96Å; Y70-E105 VanDerWaalsContact CE2-OE1 3.29Å; Y70-E105 WeakPolarHBondContact CE2-OE1 3.44Å; Y70-E105 VanDerWaalsContact CZ-OE1 3.29Å; Y70-E105 PolarHBondContact OH-OE1 2.88Å; Y70-E105 PolarHBondContact OH-OE2 2.98Å; R75-E105 IonicContact NH2-OE1 3.92Å; L101-E105 HydrophobicContact CD2-CB 4.18Å; L101-E105 HydrophobicContact CD2-CG 4.15Å; L101-E105 WeakPolarHBondContact CD2-OE2 3.41Å; P102-E105 WeakPolarHBondContact O-CB 3.36Å; P102-E105 PolarHBondContact O-N 2.87Å; E103-E105 VanDerWaalsContact C-N 3.26Å; E103-E105 PolarHBondContact O-N 3.37Å; E105-E107 VanDerWaalsContact C-N 3.27Å; E105-E107 PolarHBondContact O-N 2.95Å
106K69.2Low82.7Confident201 Ų20170.2 Ų70.287%0.87435%0.348SS*.THydrogen-bonded Turntrans-71.8-15-180-70.9-173.2175.5-176.40115T104T104-K106 PolarHBondContact O-N 3.26Å; T104-K106 VanDerWaalsContact O-N 3.08Å
107E83.7Confident82.6Confident145 Ų14569.3 Ų69.368%0.67835%0.348SS*.THydrogen-bonded Turntrans-88.8-15.7-172-69.2-179.6177.500114E105 T109E105-E107 VanDerWaalsContact C-N 3.27Å; E105-E107 PolarHBondContact O-N 2.95Å; E107-T109 PolarHBondContact O-N 2.82Å
108F87.8Confident82.5Confident27 Ų2769.6 Ų69.612%0.11835%0.35CS..  trans-79.1121.4177.9-178.7-111.3000110.2V66 Y70 R75 I77 L101 L110V66-F108 HydrophobicContact CG1-CZ 3.82Å; Y70-F108 AromaticContact CD2-CD2 3.77Å; Y70-F108 HydrophobicContact CD2-CD2 3.77Å; Y70-F108 HydrophobicContact CD2-CE2 4.24Å; Y70-F108 HydrophobicContact CD2-CG 4.28Å; R75-F108 WeakPolarHBondContact O-CA 3.24Å; R75-F108 VanDerWaalsContact O-CD2 3.31Å; R75-F108 WeakPolarHBondContact O-CD2 3.3Å; I77-F108 HydrophobicContact CD1-CE2 3.88Å; I77-F108 HydrophobicContact CD1-CZ 4.34Å; I77-F108 HydrophobicContact CG1-CE2 4.26Å; L101-F108 HydrophobicContact CD1-CD1 4Å; L101-F108 HydrophobicContact CD1-CE1 4.12Å; L101-F108 HydrophobicContact CD2-CB 3.64Å; L101-F108 HydrophobicContact CD2-CD1 3.71Å; L101-F108 HydrophobicContact CD2-CG 3.78Å; F108-L110 HydrophobicContact CE1-CB 3.85Å; F108-L110 HydrophobicContact CZ-CB 4.12Å
109T89.6Confident82.4Confident62 Ų6271.4 Ų71.438%0.3836%0.356SS..EExtended strand (participates in β ladder)trans-117.1120.5177.4-50.80000109R75 I77 E107R75-T109 PolarHBondContact O-N 2.98Å; I77-T109 PolarHBondContact N-O 3.07Å; E107-T109 PolarHBondContact O-N 2.82Å
110L89.8Confident82.3Confident28 Ų2869 Ų6915%0.14734%0.339CS..EExtended strand (participates in β ladder)trans-115.5109.8173-17661.7000108.7V66 I77 V79 C97 F108 Y112V66-L110 HydrophobicContact CG1-CD1 4.44Å; I77-L110 HydrophobicContact CB-CD1 4.08Å; I77-L110 HydrophobicContact CG2-CD1 3.98Å; I77-L110 CarbonylContact O-C 3.59Å; I77-L110 VanDerWaalsContact O-CA 3.3Å; I77-L110 WeakPolarHBondContact O-CA 3.48Å; V79-L110 HydrophobicContact CG2-CD1 3.92Å; C97-L110 HydrophobicContact CB-CD2 3.56Å; F108-L110 HydrophobicContact CE1-CB 3.85Å; F108-L110 HydrophobicContact CZ-CB 4.12Å; L110-Y112 HydrophobicContact CD2-CE1 4.13Å; L110-Y112 WeakPolarHBondContact CD2-OH 3.26Å; L110-Y112 HydrophobicContact CG-CE1 4.2Å; L110-Y112 HydrophobicContact CG-CE2 4.45Å
111T89.9Confident82.3Confident40 Ų4068.9 Ų68.925%0.24534%0.34CS..EExtended strand (participates in β ladder)trans-102.9134.1-178-54.20000109.7I77 S78 V79 L113I77-T111 PolarHBondContact O-N 2.84Å; S78-T111 CarbonylContact C-O 3.53Å; S78-T111 WeakPolarHBondContact CA-O 3.28Å; V79-T111 PolarHBondContact N-O 2.92Å; T111-L113 HydrophobicContact CG2-CD2 3.88Å; T111-L113 HydrophobicContact CG2-CG 4.22Å
112Y89.5Confident82.4Confident72 Ų7269.8 Ų69.828%0.28235%0.345SS..EExtended strand (participates in β ladder)trans-104.1125.8175.9-54.2-81.1000108.7W85 L93 A94 L110W85-Y112 HydrophobicContact CH2-CD1 4.08Å; W85-Y112 AromaticContact CZ2-CD1 3.94Å; W85-Y112 HydrophobicContact CZ2-CD1 3.94Å; W85-Y112 HydrophobicContact CZ3-CD1 4.45Å; L93-Y112 HydrophobicContact CB-CE1 4.45Å; L93-Y112 HydrophobicContact CD2-CD1 4.21Å; L93-Y112 HydrophobicContact CD2-CE1 3.69Å; L93-Y112 HydrophobicContact CG-CE1 4.07Å; A94-Y112 WeakPolarHBondContact CA-OH 3.28Å; A94-Y112 WeakPolarHBondContact CB-OH 3.28Å; L110-Y112 HydrophobicContact CD2-CE1 4.13Å; L110-Y112 WeakPolarHBondContact CD2-OH 3.26Å; L110-Y112 HydrophobicContact CG-CE1 4.2Å; L110-Y112 HydrophobicContact CG-CE2 4.45Å
113L90.5Very high82.8Confident3 Ų373 Ų732%0.01636%0.363CS..EExtended strand (participates in β ladder)trans-122.8151.2-179.4-56.8172000109.5V79 Y80 R81 W85 T111 D117 V154 Y172V79-L113 PolarHBondContact O-N 3.16Å; Y80-L113 CarbonylContact C-O 3.59Å; Y80-L113 WeakPolarHBondContact CA-O 3.39Å; Y80-L113 HydrophobicContact CD2-CB 3.92Å; R81-L113 PolarHBondContact N-O 3.27Å; W85-L113 PolarHBondContact NE1-O 3.46Å; T111-L113 HydrophobicContact CG2-CD2 3.88Å; T111-L113 HydrophobicContact CG2-CG 4.22Å; L113-D117 HydrophobicContact CB-CB 4.45Å; L113-D117 HydrophobicContact CD2-CB 4.1Å; L113-V154 HydrophobicContact CD1-CG1 3.54Å; L113-V154 HydrophobicContact CD2-CB 4.46Å; L113-V154 HydrophobicContact CD2-CG1 4.07Å; L113-V154 HydrophobicContact CD2-CG2 3.61Å; L113-V154 HydrophobicContact CG-CG1 4.46Å; L113-Y172 HydrophobicContact CD1-CE2 3.99Å; L113-Y172 WeakPolarHBondContact CD1-OH 3.49Å
114S90.5Very high83.3Confident12 Ų1267.6 Ų67.68%0.08434%0.341CS..EExtended strand (participates in β ladder)trans-132.8176.4178.870.50000110.4Y80 R81 D116 D117Y80-S114 VanDerWaalsContact CE2-C 3.44Å; Y80-S114 VanDerWaalsContact CE2-O 3.25Å; Y80-S114 WeakPolarHBondContact CE2-O 3.32Å; R81-S114 VanDerWaalsContact O-CA 3.24Å; R81-S114 WeakPolarHBondContact O-CA 3.47Å; S114-D116 PolarHBondContact O-N 2.93Å; S114-D116 PolarHBondContact OG-N 2.65Å; S114-D117 WeakPolarHBondContact CA-OD2 3.4Å; S114-D117 WeakPolarHBondContact CB-OD2 3.49Å; S114-D117 PolarHBondContact N-OD2 3.47Å; S114-D117 WeakPolarHBondContact O-CB 3.31Å; S114-D117 PolarHBondContact O-N 2.94Å; S114-D117 PolarHBondContact OG-OD2 2.83Å
115R88.6Confident83.8Confident132 Ų13263.2 Ų63.250%0.49832%0.316SS..G310 helixtrans-53.3-33.5169.9175.2178.3179-168.9-0.7112.9R81 F82 D117 S118R81-R115 PolarHBondContact O-N 2.82Å; F82-R115 WeakPolarHBondContact O-CB 3.29Å; R115-D117 PolarHBondContact O-N 2.79Å; R115-S118 WeakPolarHBondContact O-CB 3.45Å; R115-S118 PolarHBondContact O-N 2.8Å; R115-S118 VanDerWaalsContact O-N 3.12Å; R115-S118 PolarHBondContact O-OG 2.8Å
116D86Confident84.3Confident99 Ų9963.9 Ų63.953%0.52932%0.322SS..G310 helixtrans-66.7-24.9-178.7-65.5-30.1000112.2S114 S118 F121S114-D116 PolarHBondContact O-N 2.93Å; S114-D116 PolarHBondContact OG-N 2.65Å; D116-S118 VanDerWaalsContact C-N 3.28Å; D116-S118 PolarHBondContact O-N 3.48Å; D116-F121 WeakPolarHBondContact O-CA 3.37Å; D116-F121 VanDerWaalsContact O-CB 3.22Å; D116-F121 WeakPolarHBondContact O-CB 3.46Å; D116-F121 PolarHBondContact O-N 2.68Å
117D85.1Confident85Confident54 Ų5459.4 Ų59.429%0.28930%0.304SS..G310 helixtrans-83.5-0.4177.9-52.4-72.9000113.5L113 S114 R115L113-D117 HydrophobicContact CB-CB 4.45Å; L113-D117 HydrophobicContact CD2-CB 4.1Å; S114-D117 WeakPolarHBondContact CA-OD2 3.4Å; S114-D117 WeakPolarHBondContact CB-OD2 3.49Å; S114-D117 PolarHBondContact N-OD2 3.47Å; S114-D117 WeakPolarHBondContact O-CB 3.31Å; S114-D117 PolarHBondContact O-N 2.94Å; S114-D117 PolarHBondContact OG-OD2 2.83Å; R115-D117 PolarHBondContact O-N 2.79Å
118S83.4Confident84.9Confident7 Ų757.7 Ų57.75%0.04930%0.296CS..THydrogen-bonded Turntrans-99.7-123.2-176.373.50000112.5R115 D116 C120 F121 L122 G171R115-S118 WeakPolarHBondContact O-CB 3.45Å; R115-S118 PolarHBondContact O-N 2.8Å; R115-S118 VanDerWaalsContact O-N 3.12Å; R115-S118 PolarHBondContact O-OG 2.8Å; D116-S118 VanDerWaalsContact C-N 3.28Å; D116-S118 PolarHBondContact O-N 3.48Å; S118-C120 VanDerWaalsContact C-N 3.26Å; S118-C120 PolarHBondContact O-N 3.06Å; S118-F121 WeakPolarHBondContact O-CB 3.34Å; S118-F121 PolarHBondContact O-N 2.98Å; S118-L122 PolarHBondContact O-N 3.48Å; S118-G171 VanDerWaalsContact CB-O 3.25Å; S118-G171 WeakPolarHBondContact CB-O 3.13Å
119I80.1Confident84.3Confident102 Ų10257.2 Ų57.252%0.52330%0.296SS..Hα-helixtrans-63.2-34.5177.4-63.9172.1000111F121 L122 V123 P174I119-F121 VanDerWaalsContact C-N 3.3Å; I119-F121 PolarHBondContact O-N 3.18Å; I119-L122 WeakPolarHBondContact O-CB 3.45Å; I119-L122 PolarHBondContact O-N 3.22Å; I119-L122 VanDerWaalsContact O-N 3.14Å; I119-V123 HydrophobicContact CG2-CG2 4.09Å; I119-V123 WeakPolarHBondContact O-CG2 3.49Å; I119-V123 PolarHBondContact O-N 2.91Å; I119-P174 HydrophobicContact CG1-CG 4.28Å
120C80.4Confident83.9Confident39 Ų3958.8 Ų58.826%0.26430%0.301SS..Hα-helixtrans-57.3-46176.1-65.10000111.1S118 V123 N124S118-C120 VanDerWaalsContact C-N 3.26Å; S118-C120 PolarHBondContact O-N 3.06Å; C120-V123 PolarHBondContact O-N 3.44Å; C120-N124 WeakPolarHBondContact O-CB 3.2Å; C120-N124 PolarHBondContact O-N 3.47Å; C120-N124 PolarHBondContact O-ND2 2.82Å
121F81.9Confident83.5Confident41 Ų4163.3 Ų63.318%0.1833%0.325CS..Hα-helixtrans-59.4-47174.2174.1-93.3000111.7D116 S118 I119 V123 N124 A125 F148 S151 C152D116-F121 WeakPolarHBondContact O-CA 3.37Å; D116-F121 VanDerWaalsContact O-CB 3.22Å; D116-F121 WeakPolarHBondContact O-CB 3.46Å; D116-F121 PolarHBondContact O-N 2.68Å; S118-F121 WeakPolarHBondContact O-CB 3.34Å; S118-F121 PolarHBondContact O-N 2.98Å; I119-F121 VanDerWaalsContact C-N 3.3Å; I119-F121 PolarHBondContact O-N 3.18Å; F121-V123 PolarHBondContact O-N 2.9Å; F121-N124 PolarHBondContact O-N 2.94Å; F121-A125 HydrophobicContact CE1-CB 4.46Å; F121-A125 HydrophobicContact CZ-CB 4.47Å; F121-A125 WeakPolarHBondContact O-CB 3.39Å; F121-A125 PolarHBondContact O-N 3.46Å; F121-F148 HydrophobicContact CE1-CD1 4.21Å; F121-S151 VanDerWaalsContact CE2-O 3.24Å; F121-S151 WeakPolarHBondContact CE2-O 3.49Å; F121-S151 WeakPolarHBondContact CZ-O 3.24Å; F121-S151 WeakPolarHBondContact CZ-OG 3.45Å; F121-C152 HydrophobicContact CE1-CB 3.62Å; F121-C152 VanDerWaalsContact CE1-SG 3.55Å; F121-C152 HydrophobicContact CZ-CB 3.95Å
122L79.5Confident82.9Confident44 Ų4469 Ų6923%0.2335%0.349CS..Hα-helixtrans-57.4-50178.8-78.6173.7000111.9S118 I119 N124 A125 V126 F148 F175S118-L122 PolarHBondContact O-N 3.48Å; I119-L122 WeakPolarHBondContact O-CB 3.45Å; I119-L122 PolarHBondContact O-N 3.22Å; I119-L122 VanDerWaalsContact O-N 3.14Å; L122-N124 VanDerWaalsContact C-N 3.32Å; L122-N124 PolarHBondContact O-N 3.42Å; L122-A125 PolarHBondContact O-N 3.36Å; L122-V126 WeakPolarHBondContact O-CG2 3.28Å; L122-V126 PolarHBondContact O-N 2.91Å; L122-F148 HydrophobicContact CB-CE1 4.26Å; L122-F148 HydrophobicContact CD2-CD1 3.62Å; L122-F148 HydrophobicContact CD2-CE1 3.18Å; L122-F148 HydrophobicContact CD2-CE2 4.31Å; L122-F148 HydrophobicContact CD2-CG 4.37Å; L122-F148 HydrophobicContact CD2-CZ 3.55Å; L122-F148 HydrophobicContact CG-CE1 4.28Å; L122-F175 HydrophobicContact CD1-CD1 3.65Å; L122-F175 HydrophobicContact CD1-CE1 3.92Å; L122-F175 HydrophobicContact CD2-CD1 3.96Å; L122-F175 HydrophobicContact CD2-CE1 4.09Å; L122-F175 HydrophobicContact CG-CD1 3.84Å; L122-F175 HydrophobicContact CG-CE1 3.72Å
123V83.3Confident82.3Confident82 Ų8267.5 Ų67.550%0.49735%0.345SS..Hα-helixtrans-60.3-45.3-179.6171.90000110.4I119 C120 F121 A125 V126 Q127I119-V123 HydrophobicContact CG2-CG2 4.09Å; I119-V123 WeakPolarHBondContact O-CG2 3.49Å; I119-V123 PolarHBondContact O-N 2.91Å; C120-V123 PolarHBondContact O-N 3.44Å; F121-V123 PolarHBondContact O-N 2.9Å; V123-A125 PolarHBondContact O-N 2.94Å; V123-V126 PolarHBondContact O-N 3.44Å; V123-Q127 WeakPolarHBondContact O-CB 3.44Å; V123-Q127 PolarHBondContact O-N 3.4Å
124N82.3Confident81.5Confident91 Ų9171.8 Ų71.849%0.48737%0.374SS..Hα-helixtrans-62.8-43.5178.2-71.8-19000111.8C120 F121 L122 Q127 Q128C120-N124 WeakPolarHBondContact O-CB 3.2Å; C120-N124 PolarHBondContact O-N 3.47Å; C120-N124 PolarHBondContact O-ND2 2.82Å; F121-N124 PolarHBondContact O-N 2.94Å; L122-N124 VanDerWaalsContact C-N 3.32Å; L122-N124 PolarHBondContact O-N 3.42Å; N124-Q127 PolarHBondContact O-N 2.91Å; N124-Q128 VanDerWaalsContact O-CG 3.28Å; N124-Q128 WeakPolarHBondContact O-CG 3.19Å; N124-Q128 PolarHBondContact O-N 3.2Å
125A78.8Confident80.6Confident12 Ų1277 Ų7710%0.09941%0.41CS..Hα-helixtrans-64-44.3178.200000111.8F121 L122 V123 Q127 Q128 S129 F148F121-A125 HydrophobicContact CE1-CB 4.46Å; F121-A125 HydrophobicContact CZ-CB 4.47Å; F121-A125 WeakPolarHBondContact O-CB 3.39Å; F121-A125 PolarHBondContact O-N 3.46Å; L122-A125 PolarHBondContact O-N 3.36Å; V123-A125 PolarHBondContact O-N 2.94Å; A125-Q127 VanDerWaalsContact C-N 3.33Å; A125-Q127 PolarHBondContact O-N 3.47Å; A125-Q128 PolarHBondContact O-N 3.34Å; A125-S129 PolarHBondContact O-N 3.4Å; A125-S129 PolarHBondContact O-OG 3.01Å; A125-F148 HydrophobicContact CB-CD1 3.85Å; A125-F148 HydrophobicContact CB-CE1 3.57Å
126V80.5Confident79.6Confident48 Ų4879 Ų7929%0.29143%0.43SS..Hα-helixtrans-60.5-44.6174175.40000110.9L122 V123 Q128 S129 I130 L144 F148L122-V126 WeakPolarHBondContact O-CG2 3.28Å; L122-V126 PolarHBondContact O-N 2.91Å; V123-V126 PolarHBondContact O-N 3.44Å; V126-Q128 VanDerWaalsContact C-N 3.33Å; V126-Q128 PolarHBondContact O-N 3.28Å; V126-S129 PolarHBondContact O-N 2.9Å; V126-I130 HydrophobicContact CG1-CD1 3.67Å; V126-I130 HydrophobicContact CG1-CG1 4.25Å; V126-I130 VanDerWaalsContact O-CG1 3.31Å; V126-I130 WeakPolarHBondContact O-CG1 3.45Å; V126-I130 PolarHBondContact O-N 3.44Å; V126-L144 HydrophobicContact CB-CD2 4.48Å; V126-L144 HydrophobicContact CG2-CD2 3.83Å; V126-F148 HydrophobicContact CG2-CE1 4.35Å; V126-F148 HydrophobicContact CG2-CE2 4.47Å; V126-F148 HydrophobicContact CG2-CZ 3.6Å
127Q83.6Confident78.8Confident108 Ų10876.6 Ų76.651%0.50542%0.421SS..Hα-helixtrans-60.9-43.3179.3-170.8176.60.100111.3V123 N124 A125 I130 L131V123-Q127 WeakPolarHBondContact O-CB 3.44Å; V123-Q127 PolarHBondContact O-N 3.4Å; N124-Q127 PolarHBondContact O-N 2.91Å; A125-Q127 VanDerWaalsContact C-N 3.33Å; A125-Q127 PolarHBondContact O-N 3.47Å; Q127-I130 PolarHBondContact O-N 2.92Å; Q127-L131 HydrophobicContact CG-CD1 4.38Å; Q127-L131 VanDerWaalsContact O-CG 3.27Å; Q127-L131 WeakPolarHBondContact O-CG 3.47Å; Q127-L131 PolarHBondContact O-N 3.41Å
128Q81Confident78.1Confident108 Ų10885.2 Ų85.251%0.50545%0.45SS..Hα-helixtrans-63.1-42.8175.2-69.6-63.9-30.800111.9N124 A125 V126 I130 L131 Q132N124-Q128 VanDerWaalsContact O-CG 3.28Å; N124-Q128 WeakPolarHBondContact O-CG 3.19Å; N124-Q128 PolarHBondContact O-N 3.2Å; A125-Q128 PolarHBondContact O-N 3.34Å; V126-Q128 VanDerWaalsContact C-N 3.33Å; V126-Q128 PolarHBondContact O-N 3.28Å; Q128-I130 PolarHBondContact O-N 3.28Å; Q128-L131 PolarHBondContact O-N 3.48Å; Q128-Q132 WeakPolarHBondContact O-CG 3.24Å; Q128-Q132 PolarHBondContact O-N 2.95Å
129S77.1Confident77.3Confident17 Ų1787.3 Ų87.312%0.11946%0.462CS..Hα-helixtrans-61.3-44.3175.7-62.20000111.8A125 V126 L131 Q132 L133A125-S129 PolarHBondContact O-N 3.4Å; A125-S129 PolarHBondContact O-OG 3.01Å; V126-S129 PolarHBondContact O-N 2.9Å; S129-L131 VanDerWaalsContact C-N 3.34Å; S129-L131 PolarHBondContact O-N 3.36Å; S129-Q132 PolarHBondContact O-N 2.8Å; S129-L133 WeakPolarHBondContact O-CD1 3.31Å; S129-L133 WeakPolarHBondContact O-CG 3.39Å; S129-L133 PolarHBondContact O-N 3.47Å
130I79.7Confident77Confident95 Ų9586.1 Ų86.149%0.48746%0.457SS..Hα-helixtrans-62.2-41177.7-68.8170.4000111.3V126 Q127 Q128 Q132 L133 V139V126-I130 HydrophobicContact CG1-CD1 3.67Å; V126-I130 HydrophobicContact CG1-CG1 4.25Å; V126-I130 VanDerWaalsContact O-CG1 3.31Å; V126-I130 WeakPolarHBondContact O-CG1 3.45Å; V126-I130 PolarHBondContact O-N 3.44Å; Q127-I130 PolarHBondContact O-N 2.92Å; Q128-I130 PolarHBondContact O-N 3.28Å; I130-Q132 PolarHBondContact O-N 3.04Å; I130-L133 PolarHBondContact O-N 2.97Å; I130-V139 HydrophobicContact CG1-CG2 4.32Å
131L81.8Confident76.7Confident124 Ų12489.9 Ų89.965%0.64948%0.475SS*.Hα-helixtrans-66.1-24.4178.5-71.7170.9000113.4Q127 Q128 S129Q127-L131 HydrophobicContact CG-CD1 4.38Å; Q127-L131 VanDerWaalsContact O-CG 3.27Å; Q127-L131 WeakPolarHBondContact O-CG 3.47Å; Q127-L131 PolarHBondContact O-N 3.41Å; Q128-L131 PolarHBondContact O-N 3.48Å; S129-L131 VanDerWaalsContact C-N 3.34Å; S129-L131 PolarHBondContact O-N 3.36Å
132Q78.4Confident76.3Confident158 Ų15895 Ų9574%0.73850%0.499SS*.Hα-helixtrans-89.1-9.9177.5-68-178.25.800113.3Q128 S129 I130Q128-Q132 WeakPolarHBondContact O-CG 3.24Å; Q128-Q132 PolarHBondContact O-N 2.95Å; S129-Q132 PolarHBondContact O-N 2.8Å; I130-Q132 PolarHBondContact O-N 3.04Å
133L76Confident75.8Confident41 Ų4198 Ų9822%0.21551%0.512CS..SBendtrans-83.8132.7-178.6-85.7151.8000110.9S129 I130 S137 V139S129-L133 WeakPolarHBondContact O-CD1 3.31Å; S129-L133 WeakPolarHBondContact O-CG 3.39Å; S129-L133 PolarHBondContact O-N 3.47Å; I130-L133 PolarHBondContact O-N 2.97Å; L133-S137 WeakPolarHBondContact CB-OG 3.49Å; L133-S137 WeakPolarHBondContact CD2-OG 3.3Å; L133-V139 HydrophobicContact CD1-CB 4.1Å; L133-V139 HydrophobicContact CD1-CG1 4.02Å; L133-V139 HydrophobicContact CD1-CG2 3.64Å
134P74.1Confident75.2Confident94 Ų9495.4 Ų95.461%0.6150%0.495SS*.PPolyproline II helixtrans-62.8145.3172.422.2-29.1000111.1N136 S137P134-N136 PolarHBondContact O-N 3.25Å; P134-S137 VanDerWaalsContact CD-OG 3.3Å; P134-S137 WeakPolarHBondContact CD-OG 3.49Å; P134-S137 WeakPolarHBondContact O-CB 3.26Å; P134-S137 PolarHBondContact O-N 3.4Å; P134-S137 PolarHBondContact O-OG 2.85Å
135S70.8Confident74.6Confident121 Ų12195.9 Ų95.985%0.84650%0.497SS*.THydrogen-bonded Turntrans-47.7128.6-179.7-44.50000111.6
136N67.9Low74.1Confident173 Ų17398 Ų9893%0.92551%0.511SS*.THydrogen-bonded Turntrans75.27.7-175.9-59.1-25.6000117.8P134P134-N136 PolarHBondContact O-N 3.25Å
137S70.1Confident73.4Confident49 Ų4997.5 Ų97.534%0.34351%0.51SS..PPolyproline II helixtrans-82.4136.5170.456.40000111.5L133 P134L133-S137 WeakPolarHBondContact CB-OG 3.49Å; L133-S137 WeakPolarHBondContact CD2-OG 3.3Å; P134-S137 VanDerWaalsContact CD-OG 3.3Å; P134-S137 WeakPolarHBondContact CD-OG 3.49Å; P134-S137 WeakPolarHBondContact O-CB 3.26Å; P134-S137 PolarHBondContact O-N 3.4Å; P134-S137 PolarHBondContact O-OG 2.85Å
138R69.3Low72.6Confident236 Ų23694.1 Ų94.189%0.89149%0.493SS*.PPolyproline II helixtrans-77.4139.5171.4-75.1-176175.2174.1-1.5108.9N140R138-N140 PolarHBondContact O-N 2.8Å
139V66Low71.8Confident51 Ų5195.1 Ų95.131%0.30950%0.502SS..PPolyproline II helixtrans-65.1121171.2-161.40000107.9I130 L133 L144I130-V139 HydrophobicContact CG1-CG2 4.32Å; L133-V139 HydrophobicContact CD1-CB 4.1Å; L133-V139 HydrophobicContact CD1-CG1 4.02Å; L133-V139 HydrophobicContact CD1-CG2 3.64Å; V139-L144 HydrophobicContact CB-CD1 4.05Å; V139-L144 HydrophobicContact CG1-CB 4.4Å; V139-L144 HydrophobicContact CG1-CD1 3.26Å; V139-L144 HydrophobicContact CG1-CD2 4.43Å; V139-L144 HydrophobicContact CG1-CG 3.41Å; V139-L144 VanDerWaalsContact CG1-CG 3.41Å
140N74.8Confident71.3Confident76 Ų76103.2 Ų103.241%0.40654%0.535SS..PPolyproline II helixtrans-78.1127.6172.3-179.7-0.2000108.6R138 E142 Q143 L144R138-N140 PolarHBondContact O-N 2.8Å; N140-E142 PolarHBondContact O-N 3.29Å; N140-E142 PolarHBondContact OD1-N 2.75Å; N140-E142 VanDerWaalsContact OD1-N 3.14Å; N140-Q143 HydrophobicContact CB-CB 4.25Å; N140-Q143 HydrophobicContact CB-CG 4.23Å; N140-Q143 WeakPolarHBondContact O-CA 3.27Å; N140-Q143 WeakPolarHBondContact O-CB 3.2Å; N140-Q143 PolarHBondContact O-N 3.06Å; N140-L144 PolarHBondContact O-N 2.99Å
141D74.5Confident70.3Confident119 Ų119101.2 Ų101.264%0.63653%0.53SS*.Hα-helixtrans-54.2-37.4178.9-67.7-18.8000111.9Q143 L144 L145D141-Q143 VanDerWaalsContact C-N 3.35Å; D141-Q143 PolarHBondContact O-N 2.8Å; D141-L144 PolarHBondContact O-N 3.36Å; D141-L145 WeakPolarHBondContact O-CB 3.44Å; D141-L145 WeakPolarHBondContact O-CG 3.46Å; D141-L145 PolarHBondContact O-N 2.61Å
142E74Confident69.2Low148 Ų14896.4 Ų96.469%0.69251%0.506SS*.Hα-helixtrans-66.7-34.8176.9-67.1-168.5159.600112.9N140 S146N140-E142 PolarHBondContact O-N 3.29Å; N140-E142 PolarHBondContact OD1-N 2.75Å; N140-E142 VanDerWaalsContact OD1-N 3.14Å; E142-S146 VanDerWaalsContact O-CB 3.3Å; E142-S146 WeakPolarHBondContact O-CB 3.25Å; E142-S146 PolarHBondContact O-N 3.42Å; E142-S146 PolarHBondContact O-OG 3.06Å
143Q68.7Low68.4Low107 Ų10794.1 Ų94.150%0.551%0.507SS..Hα-helixtrans-71.7-38.9175.1-76.4-179.7-24.100111N140 D141 S146 S147N140-Q143 HydrophobicContact CB-CB 4.25Å; N140-Q143 HydrophobicContact CB-CG 4.23Å; N140-Q143 WeakPolarHBondContact O-CA 3.27Å; N140-Q143 WeakPolarHBondContact O-CB 3.2Å; N140-Q143 PolarHBondContact O-N 3.06Å; D141-Q143 VanDerWaalsContact C-N 3.35Å; D141-Q143 PolarHBondContact O-N 2.8Å; Q143-S146 WeakPolarHBondContact CA-OG 3.43Å; Q143-S146 PolarHBondContact O-OG 3.19Å; Q143-S146 VanDerWaalsContact O-OG 3.04Å; Q143-S147 VanDerWaalsContact O-CB 3.29Å; Q143-S147 WeakPolarHBondContact O-CB 3.31Å; Q143-S147 PolarHBondContact O-N 3.18Å; Q143-S147 PolarHBondContact O-OG 3.03Å
144L69.9Low68.1Low27 Ų2793 Ų9314%0.14150%0.501CS..Hα-helixtrans-62.3-50.8172.6-100.8167.6000111.2V126 V139 N140 D141 S146 S147 F148V126-L144 HydrophobicContact CB-CD2 4.48Å; V126-L144 HydrophobicContact CG2-CD2 3.83Å; V139-L144 HydrophobicContact CB-CD1 4.05Å; V139-L144 HydrophobicContact CG1-CB 4.4Å; V139-L144 HydrophobicContact CG1-CD1 3.26Å; V139-L144 HydrophobicContact CG1-CD2 4.43Å; V139-L144 HydrophobicContact CG1-CG 3.41Å; V139-L144 VanDerWaalsContact CG1-CG 3.41Å; N140-L144 PolarHBondContact O-N 2.99Å; D141-L144 PolarHBondContact O-N 3.36Å; L144-S146 PolarHBondContact O-N 2.83Å; L144-S147 WeakPolarHBondContact O-CB 3.37Å; L144-S147 PolarHBondContact O-N 2.94Å; L144-S147 VanDerWaalsContact O-N 3.15Å; L144-F148 HydrophobicContact CB-CD2 4.36Å; L144-F148 HydrophobicContact CB-CE2 4.16Å; L144-F148 HydrophobicContact CD2-CD2 4.26Å; L144-F148 HydrophobicContact CD2-CE2 3.52Å; L144-F148 HydrophobicContact CD2-CZ 3.84Å; L144-F148 HydrophobicContact CG-CE2 4.37Å; L144-F148 WeakPolarHBondContact O-CD2 3.25Å; L144-F148 WeakPolarHBondContact O-CG 3.18Å; L144-F148 PolarHBondContact O-N 2.73Å
145L69.3Low68.4Low102 Ų10292.4 Ų92.453%0.53449%0.493SS..Hα-helixtrans-60.9-42179.5-76.9166.2000112.2D141 F148 N149D141-L145 WeakPolarHBondContact O-CB 3.44Å; D141-L145 WeakPolarHBondContact O-CG 3.46Å; D141-L145 PolarHBondContact O-N 2.61Å; L145-F148 PolarHBondContact O-N 3.28Å; L145-N149 WeakPolarHBondContact O-CB 3.36Å; L145-N149 PolarHBondContact O-N 2.9Å
146S68.2Low69.2Low55 Ų5592.3 Ų92.339%0.38548%0.479SS..Hα-helixtrans-68.8-34.2175.660.20000112.7E142 Q143 L144 K150E142-S146 VanDerWaalsContact O-CB 3.3Å; E142-S146 WeakPolarHBondContact O-CB 3.25Å; E142-S146 PolarHBondContact O-N 3.42Å; E142-S146 PolarHBondContact O-OG 3.06Å; Q143-S146 WeakPolarHBondContact CA-OG 3.43Å; Q143-S146 PolarHBondContact O-OG 3.19Å; Q143-S146 VanDerWaalsContact O-OG 3.04Å; L144-S146 PolarHBondContact O-N 2.83Å; S146-K150 WeakPolarHBondContact O-CB 3.47Å; S146-K150 WeakPolarHBondContact O-CG 3.33Å; S146-K150 PolarHBondContact O-N 3.41Å
147S66.6Low70.4Confident38 Ų3884.2 Ų84.227%0.26644%0.436SS..Hα-helixtrans-64-48.3172.4-56.90000110.3Q143 L144 K150 S151Q143-S147 VanDerWaalsContact O-CB 3.29Å; Q143-S147 WeakPolarHBondContact O-CB 3.31Å; Q143-S147 PolarHBondContact O-N 3.18Å; Q143-S147 PolarHBondContact O-OG 3.03Å; L144-S147 WeakPolarHBondContact O-CB 3.37Å; L144-S147 PolarHBondContact O-N 2.94Å; L144-S147 VanDerWaalsContact O-N 3.15Å; S147-K150 PolarHBondContact O-N 2.7Å; S147-S151 PolarHBondContact O-N 2.83Å; S147-S151 PolarHBondContact O-OG 3.45Å
148F65.9Low71.5Confident37 Ų3783.2 Ų83.216%0.16243%0.427CS..Hα-helixtrans-58.5-52.2175-73-55.8000111.3F121 L122 A125 V126 L144 L145 K150 S151 C152F121-F148 HydrophobicContact CE1-CD1 4.21Å; L122-F148 HydrophobicContact CB-CE1 4.26Å; L122-F148 HydrophobicContact CD2-CD1 3.62Å; L122-F148 HydrophobicContact CD2-CE1 3.18Å; L122-F148 HydrophobicContact CD2-CE2 4.31Å; L122-F148 HydrophobicContact CD2-CG 4.37Å; L122-F148 HydrophobicContact CD2-CZ 3.55Å; L122-F148 HydrophobicContact CG-CE1 4.28Å; A125-F148 HydrophobicContact CB-CD1 3.85Å; A125-F148 HydrophobicContact CB-CE1 3.57Å; V126-F148 HydrophobicContact CG2-CE1 4.35Å; V126-F148 HydrophobicContact CG2-CE2 4.47Å; V126-F148 HydrophobicContact CG2-CZ 3.6Å; L144-F148 HydrophobicContact CB-CD2 4.36Å; L144-F148 HydrophobicContact CB-CE2 4.16Å; L144-F148 HydrophobicContact CD2-CD2 4.26Å; L144-F148 HydrophobicContact CD2-CE2 3.52Å; L144-F148 HydrophobicContact CD2-CZ 3.84Å; L144-F148 HydrophobicContact CG-CE2 4.37Å; L144-F148 WeakPolarHBondContact O-CD2 3.25Å; L144-F148 WeakPolarHBondContact O-CG 3.18Å; L144-F148 PolarHBondContact O-N 2.73Å; L145-F148 PolarHBondContact O-N 3.28Å; F148-K150 PolarHBondContact O-N 2.82Å; F148-S151 PolarHBondContact O-N 2.93Å; F148-S151 VanDerWaalsContact O-N 3.11Å; F148-C152 WeakPolarHBondContact O-CA 3.24Å; F148-C152 WeakPolarHBondContact O-CB 3.45Å; F148-C152 PolarHBondContact O-N 2.87Å
149N65.4Low72.7Confident130 Ų13072 Ų7270%0.69538%0.384SS*.Hα-helixtrans-61-30.8179.9-76.3-10.4000113.3L145L145-N149 WeakPolarHBondContact O-CB 3.36Å; L145-N149 PolarHBondContact O-N 2.9Å
150K65.3Low74.1Confident187 Ų18769.5 Ų69.581%0.81337%0.37SS*.Hα-helixtrans-74.9-35.1176.2-82.3-179.9178.6177.30113.4S146 S147 F148S146-K150 WeakPolarHBondContact O-CB 3.47Å; S146-K150 WeakPolarHBondContact O-CG 3.33Å; S146-K150 PolarHBondContact O-N 3.41Å; S147-K150 PolarHBondContact O-N 2.7Å; F148-K150 PolarHBondContact O-N 2.82Å
151S59Low75.1Confident52 Ų5265.9 Ų65.936%0.36435%0.35SS..Hα-helixtrans-100.9-19.1-172.346.40000112.7F121 S147 F148 C153F121-S151 VanDerWaalsContact CE2-O 3.24Å; F121-S151 WeakPolarHBondContact CE2-O 3.49Å; F121-S151 WeakPolarHBondContact CZ-O 3.24Å; F121-S151 WeakPolarHBondContact CZ-OG 3.45Å; S147-S151 PolarHBondContact O-N 2.83Å; S147-S151 PolarHBondContact O-OG 3.45Å; F148-S151 PolarHBondContact O-N 2.93Å; F148-S151 VanDerWaalsContact O-N 3.11Å; S151-C153 PolarHBondContact O-N 3.38Å
152C59.2Low76.1Confident24 Ų2460.3 Ų60.316%0.16232%0.32CS..  trans-89.3103.8179.7-146.70000109.1F121 F148 V154 F175F121-C152 HydrophobicContact CE1-CB 3.62Å; F121-C152 VanDerWaalsContact CE1-SG 3.55Å; F121-C152 HydrophobicContact CZ-CB 3.95Å; F148-C152 WeakPolarHBondContact O-CA 3.24Å; F148-C152 WeakPolarHBondContact O-CB 3.45Å; F148-C152 PolarHBondContact O-N 2.87Å; C152-V154 PolarHBondContact O-N 3.08Å; C152-V154 VanDerWaalsContact O-N 3.11Å; C152-F175 WeakPolarHBondContact SG-CE2 3.49Å; C152-F175 WeakPolarHBondContact SG-CZ 3.5Å
153C62.1Low77Confident110 Ų11053.3 Ų53.374%0.74329%0.288SS*.  trans-73.19.2174.3-56.90000113.1S151S151-C153 PolarHBondContact O-N 3.38Å
154V68.8Low78Confident17 Ų1748.5 Ų48.510%0.10327%0.267CS..  trans-109.3102.6-166.2-158.80000109.8L113 C152 P173 F175 C176L113-V154 HydrophobicContact CD1-CG1 3.54Å; L113-V154 HydrophobicContact CD2-CB 4.46Å; L113-V154 HydrophobicContact CD2-CG1 4.07Å; L113-V154 HydrophobicContact CD2-CG2 3.61Å; L113-V154 HydrophobicContact CG-CG1 4.46Å; C152-V154 PolarHBondContact O-N 3.08Å; C152-V154 VanDerWaalsContact O-N 3.11Å; V154-P173 HydrophobicContact CG1-CG 4.42Å; V154-F175 HydrophobicContact CB-CE2 4.23Å; V154-C176 HydrophobicContact CG1-CB 4.5Å; V154-C176 WeakPolarHBondContact CG1-SG 3.39Å; V154-C176 PolarHBondContact O-SG 3.2Å
155D79.9Confident78.5Confident81 Ų8154.5 Ų54.543%0.43330%0.299SS..  trans-65.6156.4175.4-75.5-20000111.7R76R76-D155 IonicContact CZ-OD2 3.8Å; R76-D155 IonicContact NH1-OD2 2.81Å; R76-D155 PolarHBondContact NH1-OD2 3.41Å
156E88.4Confident78.8Confident119 Ų11951.9 Ų51.956%0.55628%0.284SS*.  trans-55.5144.8166.8-69.5-170.9159.800111.1H48H48-E156 PolarHBondContact ND1-O 3.41Å
157V92.2Very high79.2Confident3 Ų352.8 Ų52.82%0.01830%0.302CS..  trans-109.1136.1-177.8178.90000109A50 L159 Y172 C176 A180A50-V157 HydrophobicContact CB-CB 4.41Å; A50-V157 HydrophobicContact CB-CG1 3.66Å; A50-V157 HydrophobicContact CB-CG2 3.84Å; V157-L159 VanDerWaalsContact CG1-C 3.44Å; V157-L159 WeakPolarHBondContact CG1-O 3.5Å; V157-Y172 HydrophobicContact CG2-CE1 3.89Å; V157-Y172 WeakPolarHBondContact CG2-OH 3.35Å; V157-C176 HydrophobicContact CG2-CB 4.29Å; V157-C176 PolarHBondContact N-O 2.64Å; V157-A180 HydrophobicContact CB-CB 4.43Å; V157-A180 VanDerWaalsContact O-CA 3.31Å; V157-A180 WeakPolarHBondContact O-CA 3.34Å; V157-A180 WeakPolarHBondContact O-CB 3.48Å
158D93.2Very high80.1Confident28 Ų2854.7 Ų54.715%0.1531%0.312CS..SBendtrans-81.2-41.7173.8-79-54.4000112.1P46 T47 H48 E181 F203 R208P46-D158 HydrophobicContact CB-CB 3.48Å; P46-D158 VanDerWaalsContact CB-CB 3.48Å; T47-D158 WeakPolarHBondContact CA-OD2 3.46Å; T47-D158 WeakPolarHBondContact CB-OD2 3.42Å; T47-D158 PolarHBondContact N-OD2 3.08Å; T47-D158 PolarHBondContact OG1-OD2 3.23Å; H48-D158 PolarHBondContact N-OD2 3.31Å; H48-D158 WeakPolarHBondContact O-CB 3.3Å; H48-D158 PolarHBondContact O-N 2.82Å; D158-E181 WeakPolarHBondContact O-CB 3.4Å; D158-E181 PolarHBondContact O-N 3.27Å; D158-F203 HydrophobicContact CB-CE2 4.04Å; D158-F203 HydrophobicContact CB-CZ 3.93Å; D158-F203 WeakPolarHBondContact O-CE2 3.49Å; D158-R208 PolarHBondContact O-NH2 3.33Å; D158-R208 VanDerWaalsContact O-NH2 3.09Å; D158-R208 IonicContact OD1-CZ 2.56Å; D158-R208 IonicContact OD1-NH1 3.99Å; D158-R208 PolarHBondContact OD1-NH1 3.46Å; D158-R208 IonicContact OD1-NH2 3.63Å; D158-R208 PolarHBondContact OD1-NH2 3Å
159L94.8Very high81.3Confident0 Ų055 Ų550%032%0.317CS..EExtended strand (participates in β ladder)trans-135.8117.8-177.6173.463.4000110.5P46 H48 I49 A50 V157 V161 E181 H183 M196 L200 F203P46-L159 HydrophobicContact CB-CB 3.97Å; P46-L159 HydrophobicContact CG-CB 4.18Å; P46-L159 HydrophobicContact CG-CD2 4.2Å; H48-L159 PolarHBondContact O-N 2.97Å; I49-L159 CarbonylContact C-O 3.6Å; I49-L159 WeakPolarHBondContact CA-O 3.47Å; I49-L159 HydrophobicContact CD1-CD2 4.26Å; I49-L159 HydrophobicContact CG1-CB 4.31Å; I49-L159 HydrophobicContact CG1-CD2 4.36Å; A50-L159 PolarHBondContact N-O 3.35Å; V157-L159 VanDerWaalsContact CG1-C 3.44Å; V157-L159 WeakPolarHBondContact CG1-O 3.5Å; L159-V161 HydrophobicContact CD2-CG2 4.32Å; L159-V161 HydrophobicContact CG-CG2 4.17Å; L159-E181 CarbonylContact C-O 3.59Å; L159-E181 WeakPolarHBondContact CA-O 3Å; L159-E181 HydrophobicContact CD1-CB 4.21Å; L159-E181 HydrophobicContact CD1-CG 4.25Å; L159-H183 HydrophobicContact CD1-CB 4.16Å; L159-H183 WeakPolarHBondContact CD1-CD2 3.21Å; L159-M196 HydrophobicContact CD2-CE 4.49Å; L159-L200 HydrophobicContact CD2-CD2 3.98Å; L159-F203 HydrophobicContact CB-CD2 3.94Å; L159-F203 HydrophobicContact CB-CE2 4.16Å; L159-F203 HydrophobicContact CD1-CD2 4.3Å; L159-F203 HydrophobicContact CD2-CB 4.39Å; L159-F203 HydrophobicContact CG-CD2 4.48Å
160L95.4Very high82.4Confident0 Ų049.1 Ų49.10%029%0.286CS..EExtended strand (participates in β ladder)trans-96.5122.2168.9-179.868.8000109.6A50 A52 V162 V169 Y172 L177 E181 I182 H183A50-L160 HydrophobicContact CB-CD1 3.7Å; A52-L160 HydrophobicContact CB-CD1 3.97Å; L160-V162 HydrophobicContact CD2-CG2 4.05Å; L160-V162 HydrophobicContact CG-CG2 4.14Å; L160-V169 HydrophobicContact CD2-CB 3.82Å; L160-V169 HydrophobicContact CD2-CG1 3.76Å; L160-Y172 HydrophobicContact CD1-CD1 4.3Å; L160-Y172 HydrophobicContact CD1-CD2 3.7Å; L160-Y172 HydrophobicContact CD1-CE2 4.04Å; L160-Y172 HydrophobicContact CD1-CG 3.87Å; L160-Y172 HydrophobicContact CD2-CG 4.47Å; L160-L177 HydrophobicContact CB-CD2 4.03Å; L160-L177 HydrophobicContact CD2-CD1 3.94Å; L160-L177 HydrophobicContact CD2-CD2 3.82Å; L160-L177 HydrophobicContact CG-CD2 4.34Å; L160-E181 PolarHBondContact N-O 3.12Å; L160-I182 HydrophobicContact CB-CG1 4.35Å; L160-I182 HydrophobicContact CD2-CG1 4.47Å; L160-I182 HydrophobicContact CD2-CG2 4.44Å; L160-I182 WeakPolarHBondContact O-CA 3.41Å; L160-H183 PolarHBondContact O-N 3.28Å
161V95.8Very high83.6Confident0 Ų041.8 Ų41.80%026%0.263CS..EExtended strand (participates in β ladder)trans-102.1117.7172.4176.20000109.1I49 A50 F51 A52 L159 F163 H183 L185 M196I49-V161 HydrophobicContact CG2-CG2 4.4Å; A50-V161 PolarHBondContact O-N 2.93Å; F51-V161 HydrophobicContact CD1-CB 3.73Å; F51-V161 HydrophobicContact CD1-CG1 3.95Å; F51-V161 HydrophobicContact CD1-CG2 4.37Å; F51-V161 HydrophobicContact CE1-CB 3.96Å; F51-V161 HydrophobicContact CE1-CG1 4.11Å; F51-V161 HydrophobicContact CE1-CG2 4.13Å; A52-V161 PolarHBondContact N-O 3.01Å; L159-V161 HydrophobicContact CD2-CG2 4.32Å; L159-V161 HydrophobicContact CG-CG2 4.17Å; V161-F163 HydrophobicContact CG1-CE1 3.97Å; V161-F163 HydrophobicContact CG1-CE2 4.26Å; V161-F163 HydrophobicContact CG1-CZ 3.84Å; V161-H183 CarbonylContact C-O 3.45Å; V161-H183 WeakPolarHBondContact CA-O 3.36Å; V161-L185 HydrophobicContact CG1-CB 4.25Å; V161-L185 HydrophobicContact CG1-CD1 3.57Å; V161-L185 HydrophobicContact CG1-CG 3.81Å; V161-M196 HydrophobicContact CG2-CE 4.11Å; V161-M196 HydrophobicContact CG2-SD 4.44Å
162V95.1Very high85.1Confident2 Ų239.3 Ų39.31%0.01225%0.246CC..EExtended strand (participates in β ladder)trans-103.4132.9174.1-177.20000108.5A52 L160 V170 I182 H183 V184 L185A52-V162 HydrophobicContact CB-CG2 4.33Å; L160-V162 HydrophobicContact CD2-CG2 4.05Å; L160-V162 HydrophobicContact CG-CG2 4.14Å; V162-V170 HydrophobicContact CG1-CG2 3.72Å; V162-I182 HydrophobicContact CG2-CG2 4.28Å; V162-H183 PolarHBondContact N-O 3.43Å; V162-V184 HydrophobicContact CB-CG2 4.45Å; V162-V184 CarbonylContact O-C 3.5Å; V162-V184 WeakPolarHBondContact O-CA 3.24Å; V162-L185 PolarHBondContact O-N 2.75Å
163F93.8Very high86.5Confident0 Ų038.2 Ų38.20%024%0.238CC..EExtended strand (participates in β ladder)trans-96.6136176.7-59.5-80000111F51 L53 E56 L62 L65 V161 H166 L185 L188 V191F51-F163 HydrophobicContact CB-CE2 4.03Å; F51-F163 AromaticContact CD1-CE2 3.69Å; F51-F163 HydrophobicContact CD1-CE2 3.69Å; F51-F163 AromaticContact CD1-CZ 3.49Å; F51-F163 HydrophobicContact CD1-CZ 3.49Å; F51-F163 VanDerWaalsContact CD1-CZ 3.49Å; F51-F163 HydrophobicContact CE1-CZ 4.02Å; F51-F163 HydrophobicContact CG-CE2 4.25Å; F51-F163 HydrophobicContact CG-CZ 4.37Å; L53-F163 HydrophobicContact CD2-CD2 3.62Å; L53-F163 HydrophobicContact CD2-CE2 3.78Å; E56-F163 HydrophobicContact CG-CB 4.3Å; L62-F163 HydrophobicContact CD1-CE2 4.48Å; L65-F163 HydrophobicContact CD1-CE1 3.56Å; L65-F163 HydrophobicContact CD1-CZ 3.52Å; V161-F163 HydrophobicContact CG1-CE1 3.97Å; V161-F163 HydrophobicContact CG1-CE2 4.26Å; V161-F163 HydrophobicContact CG1-CZ 3.84Å; F163-H166 PolarHBondContact O-CD2 3.08Å; F163-H166 PolarHBondContact O-NE2 3.37Å; F163-L185 HydrophobicContact CD1-CB 4.2Å; F163-L185 HydrophobicContact CE1-CB 4.42Å; F163-L185 HydrophobicContact CE1-CD1 4.39Å; F163-L188 HydrophobicContact CB-CB 4.42Å; F163-L188 HydrophobicContact CD1-CB 4.27Å; F163-L188 HydrophobicContact CD1-CD1 4.21Å; F163-L188 HydrophobicContact CE1-CD1 3.91Å; F163-L188 HydrophobicContact CE2-CD1 4.33Å; F163-L188 HydrophobicContact CG-CB 4.2Å; F163-L188 HydrophobicContact CZ-CD1 3.95Å; F163-V191 HydrophobicContact CD1-CB 4.45Å; F163-V191 HydrophobicContact CD1-CG1 4.27Å; F163-V191 HydrophobicContact CE1-CB 4.42Å; F163-V191 HydrophobicContact CE1-CG1 3.97Å; F163-V191 HydrophobicContact CE1-CG2 4.26Å
164G89.3Confident87.7Confident6 Ų636 Ų366%0.06222%0.222CC..SBendtrans81.9174.6178.200000113.9H166 V184 L185G164-H166 PolarHBondContact O-N 3.37Å; G164-V184 WeakPolarHBondContact O-CG1 3.43Å; G164-L185 PolarHBondContact N-O 2.98Å
165D80.5Confident88.4Confident154 Ų15437.9 Ų37.982%0.82423%0.23SC*.SBendtrans-92.785.3-176.6-166.73.2000110.2
166H76Confident88.7Confident46 Ų4634.2 Ų34.221%0.21321%0.21CC..  trans-109.6-8.8-175.7-65.5-31.7000113.8F163 G164 T168 V170F163-H166 PolarHBondContact O-CD2 3.08Å; F163-H166 PolarHBondContact O-NE2 3.37Å; G164-H166 PolarHBondContact O-N 3.37Å; H166-T168 WeakPolarHBondContact O-CB 3.37Å; H166-T168 WeakPolarHBondContact O-CG2 3.31Å; H166-T168 PolarHBondContact O-N 2.93Å; H166-T168 PolarHBondContact O-OG1 3.5Å; H166-V170 HydrophobicContact CB-CG2 4.43Å
167G76.3Confident88.7Confident74 Ų7429.7 Ų29.776%0.76319%0.189SC*.SBendtrans51.415.7-176.600000115.1
168T86.5Confident88.3Confident78 Ų7833 Ų3348%0.47921%0.212SC..SBendtrans-153.1160.3-167.658.70000110.4H166 V170H166-T168 WeakPolarHBondContact O-CB 3.37Å; H166-T168 WeakPolarHBondContact O-CG2 3.31Å; H166-T168 PolarHBondContact O-N 2.93Å; H166-T168 PolarHBondContact O-OG1 3.5Å; T168-V170 PolarHBondContact O-N 3.1Å
169V90.4Very high87.9Confident43 Ų4338.3 Ų38.326%0.26123%0.231SC..  trans-82.616.1175.2-60.20000113.4L160 G171 Y172 L177 I182L160-V169 HydrophobicContact CD2-CB 3.82Å; L160-V169 HydrophobicContact CD2-CG1 3.76Å; V169-G171 PolarHBondContact O-N 3.3Å; V169-Y172 VanDerWaalsContact O-CB 3.28Å; V169-Y172 WeakPolarHBondContact O-CB 3.33Å; V169-Y172 PolarHBondContact O-N 3.35Å; V169-L177 HydrophobicContact CB-CD1 4.02Å; V169-L177 HydrophobicContact CG1-CD1 4.01Å; V169-L177 HydrophobicContact CG2-CD1 4.02Å; V169-I182 HydrophobicContact CG1-CD1 3.79Å
170V89.5Confident87.7Confident7 Ų739 Ų394%0.04224%0.237CC..THydrogen-bonded Turntrans61.514.4173.4-169.10000114.1A52 R54 Y80 F82 V162 H166 T168A52-V170 HydrophobicContact CB-CB 4.3Å; A52-V170 HydrophobicContact CB-CG2 4.46Å; R54-V170 HydrophobicContact CB-CG1 3.5Å; R54-V170 VanDerWaalsContact CB-CG1 3.5Å; R54-V170 HydrophobicContact CB-CG2 4.42Å; R54-V170 HydrophobicContact CG-CG1 3.79Å; Y80-V170 HydrophobicContact CE1-CB 4.48Å; Y80-V170 HydrophobicContact CE1-CG1 4.21Å; Y80-V170 VanDerWaalsContact CE1-O 3.3Å; Y80-V170 WeakPolarHBondContact CE1-O 3.44Å; Y80-V170 PolarHBondContact OH-O 3.35Å; F82-V170 HydrophobicContact CB-CG1 4.03Å; F82-V170 VanDerWaalsContact CD2-O 3.24Å; F82-V170 WeakPolarHBondContact CD2-O 3.48Å; V162-V170 HydrophobicContact CG1-CG2 3.72Å; H166-V170 HydrophobicContact CB-CG2 4.43Å; T168-V170 PolarHBondContact O-N 3.1Å
171G88.8Confident87.6Confident33 Ų3340.9 Ų40.934%0.3425%0.245SC..THydrogen-bonded Turntrans82.714-175.200000114Y80 S118 V169Y80-G171 VanDerWaalsContact CZ-C 3.47Å; Y80-G171 PolarHBondContact OH-O 3.29Å; S118-G171 VanDerWaalsContact CB-O 3.25Å; S118-G171 WeakPolarHBondContact CB-O 3.13Å; V169-G171 PolarHBondContact O-N 3.3Å
172Y91.4Very high87.4Confident1 Ų144.5 Ų44.50%0.00426%0.264CS..  trans-50.2141.5169.5-165.2-85.9000110.2A50 A52 Y80 L113 V157 L160 V169 P174 C176 L177A50-Y172 HydrophobicContact CB-CD2 4.49Å; A50-Y172 HydrophobicContact CB-CE1 4.38Å; A50-Y172 HydrophobicContact CB-CE2 3.55Å; A50-Y172 VanDerWaalsContact CB-CZ 3.5Å; A50-Y172 VanDerWaalsContact CB-OH 3.28Å; A50-Y172 WeakPolarHBondContact CB-OH 3.39Å; A52-Y172 HydrophobicContact CB-CD2 4.34Å; Y80-Y172 VanDerWaalsContact CB-CE2 3.41Å; Y80-Y172 HydrophobicContact CD1-CD2 4.13Å; Y80-Y172 HydrophobicContact CD2-CD2 4.09Å; Y80-Y172 AromaticContact CG-CD2 3.58Å; Y80-Y172 HydrophobicContact CG-CD2 3.58Å; Y80-Y172 HydrophobicContact CG-CE2 4.15Å; Y80-Y172 HydrophobicContact CG-CG 4.43Å; L113-Y172 HydrophobicContact CD1-CE2 3.99Å; L113-Y172 WeakPolarHBondContact CD1-OH 3.49Å; V157-Y172 HydrophobicContact CG2-CE1 3.89Å; V157-Y172 WeakPolarHBondContact CG2-OH 3.35Å; L160-Y172 HydrophobicContact CD1-CD1 4.3Å; L160-Y172 HydrophobicContact CD1-CD2 3.7Å; L160-Y172 HydrophobicContact CD1-CE2 4.04Å; L160-Y172 HydrophobicContact CD1-CG 3.87Å; L160-Y172 HydrophobicContact CD2-CG 4.47Å; V169-Y172 VanDerWaalsContact O-CB 3.28Å; V169-Y172 WeakPolarHBondContact O-CB 3.33Å; V169-Y172 PolarHBondContact O-N 3.35Å; Y172-P174 WeakPolarHBondContact O-CD 3.22Å; Y172-C176 HydrophobicContact CE1-CB 3.96Å; Y172-L177 HydrophobicContact CD1-CD1 4.01Å; Y172-L177 HydrophobicContact CD1-CD2 3.65Å; Y172-L177 HydrophobicContact CD1-CG 3.86Å; Y172-L177 HydrophobicContact CE1-CD2 4Å; Y172-L177 HydrophobicContact CE1-CG 4.49Å
173P89.3Confident87.4Confident0 Ų045.2 Ų45.20%027%0.267CS..  trans-47.3112.2-178.6-31.135000113.1V154 F175 C176V154-P173 HydrophobicContact CG1-CG 4.42Å; P173-F175 VanDerWaalsContact C-N 3.29Å; P173-F175 HydrophobicContact CB-CD1 4.38Å; P173-F175 HydrophobicContact CB-CE1 3.77Å; P173-F175 HydrophobicContact CB-CE2 3.87Å; P173-F175 HydrophobicContact CB-CZ 3.5Å; P173-F175 VanDerWaalsContact CB-CZ 3.5Å; P173-F175 HydrophobicContact CG-CZ 4.43Å; P173-F175 PolarHBondContact O-N 3.48Å; P173-C176 PolarHBondContact O-N 3.31Å
174P86.4Confident87.3Confident63 Ų6349.5 Ų49.541%0.40929%0.293SS..G310 helixtrans-68.6-29.1-167.323.8-33.2000113I119 Y172 C176 L177I119-P174 HydrophobicContact CG1-CG 4.28Å; Y172-P174 WeakPolarHBondContact O-CD 3.22Å; P174-C176 PolarHBondContact O-N 3.18Å; P174-L177 PolarHBondContact O-N 3.4Å
175F82.7Confident87.6Confident58 Ų5849.9 Ų49.925%0.25429%0.294SS..G310 helixtrans-69.5-16.517949.8-92.7000113.4L122 C152 V154 P173 L177 S178L122-F175 HydrophobicContact CD1-CD1 3.65Å; L122-F175 HydrophobicContact CD1-CE1 3.92Å; L122-F175 HydrophobicContact CD2-CD1 3.96Å; L122-F175 HydrophobicContact CD2-CE1 4.09Å; L122-F175 HydrophobicContact CG-CD1 3.84Å; L122-F175 HydrophobicContact CG-CE1 3.72Å; C152-F175 WeakPolarHBondContact SG-CE2 3.49Å; C152-F175 WeakPolarHBondContact SG-CZ 3.5Å; V154-F175 HydrophobicContact CB-CE2 4.23Å; P173-F175 VanDerWaalsContact C-N 3.29Å; P173-F175 HydrophobicContact CB-CD1 4.38Å; P173-F175 HydrophobicContact CB-CE1 3.77Å; P173-F175 HydrophobicContact CB-CE2 3.87Å; P173-F175 HydrophobicContact CB-CZ 3.5Å; P173-F175 VanDerWaalsContact CB-CZ 3.5Å; P173-F175 HydrophobicContact CG-CZ 4.43Å; P173-F175 PolarHBondContact O-N 3.48Å; F175-L177 VanDerWaalsContact C-N 3.35Å; F175-S178 PolarHBondContact O-OG 3.27Å
176C87Confident88.1Confident3 Ų345 Ų452%0.0227%0.27CS..G310 helixtrans-87.5-6.3175.3-57.40000113.1V154 V157 Y172 P173 P174V154-C176 HydrophobicContact CG1-CB 4.5Å; V154-C176 WeakPolarHBondContact CG1-SG 3.39Å; V154-C176 PolarHBondContact O-SG 3.2Å; V157-C176 HydrophobicContact CG2-CB 4.29Å; V157-C176 PolarHBondContact N-O 2.64Å; Y172-C176 HydrophobicContact CE1-CB 3.96Å; P173-C176 PolarHBondContact O-N 3.31Å; P174-C176 PolarHBondContact O-N 3.18Å
177L89Confident89Confident24 Ų2445.2 Ų45.213%0.12628%0.276CS..  trans-106.32.8-168.9-60.7-179.9000114.3L160 V169 Y172 P174 F175 W179 A180L160-L177 HydrophobicContact CB-CD2 4.03Å; L160-L177 HydrophobicContact CD2-CD1 3.94Å; L160-L177 HydrophobicContact CD2-CD2 3.82Å; L160-L177 HydrophobicContact CG-CD2 4.34Å; V169-L177 HydrophobicContact CB-CD1 4.02Å; V169-L177 HydrophobicContact CG1-CD1 4.01Å; V169-L177 HydrophobicContact CG2-CD1 4.02Å; Y172-L177 HydrophobicContact CD1-CD1 4.01Å; Y172-L177 HydrophobicContact CD1-CD2 3.65Å; Y172-L177 HydrophobicContact CD1-CG 3.86Å; Y172-L177 HydrophobicContact CE1-CD2 4Å; Y172-L177 HydrophobicContact CE1-CG 4.49Å; P174-L177 PolarHBondContact O-N 3.4Å; F175-L177 VanDerWaalsContact C-N 3.35Å; L177-W179 PolarHBondContact O-N 3.11Å; L177-A180 HydrophobicContact CB-CB 4.2Å; L177-A180 HydrophobicContact CD2-CB 3.7Å; L177-A180 PolarHBondContact O-N 2.81Å
178S83.4Confident89.8Confident72 Ų7241.8 Ų41.850%0.50324%0.24SC..THydrogen-bonded Turntrans-46.5-39.1-175.5-44.30000113.5F175F175-S178 PolarHBondContact O-OG 3.27Å
179W84.6Confident90.1Very high140 Ų14041.5 Ų41.553%0.5324%0.241SC..THydrogen-bonded Turntrans-125.910.7-177.8-49.1113.5000112.7L177 F210L177-W179 PolarHBondContact O-N 3.11Å; W179-F210 HydrophobicContact CB-CE1 4.19Å; W179-F210 HydrophobicContact CB-CE2 4.3Å; W179-F210 HydrophobicContact CB-CZ 3.84Å; W179-F210 HydrophobicContact CD2-CD1 4.22Å; W179-F210 HydrophobicContact CD2-CE1 4.27Å; W179-F210 HydrophobicContact CE3-CB 4.38Å; W179-F210 AromaticContact CE3-CD1 3.2Å; W179-F210 HydrophobicContact CE3-CD1 3.2Å; W179-F210 AromaticContact CE3-CE1 3.41Å; W179-F210 HydrophobicContact CE3-CE1 3.41Å; W179-F210 VanDerWaalsContact CE3-CE1 3.41Å; W179-F210 AromaticContact CE3-CG 3.82Å; W179-F210 HydrophobicContact CE3-CG 3.82Å; W179-F210 HydrophobicContact CE3-CZ 4.15Å; W179-F210 HydrophobicContact CZ3-CB 4.12Å; W179-F210 AromaticContact CZ3-CD1 3.49Å; W179-F210 HydrophobicContact CZ3-CD1 3.49Å; W179-F210 VanDerWaalsContact CZ3-CD1 3.49Å; W179-F210 HydrophobicContact CZ3-CE1 4.14Å; W179-F210 HydrophobicContact CZ3-CG 4.03Å
180A91Very high90.2Very high16 Ų1646.5 Ų46.513%0.13226%0.26CS..  trans-73.4133-176.800000110V157 L177V157-A180 HydrophobicContact CB-CB 4.43Å; V157-A180 VanDerWaalsContact O-CA 3.31Å; V157-A180 WeakPolarHBondContact O-CA 3.34Å; V157-A180 WeakPolarHBondContact O-CB 3.48Å; L177-A180 HydrophobicContact CB-CB 4.2Å; L177-A180 HydrophobicContact CD2-CB 3.7Å; L177-A180 PolarHBondContact O-N 2.81Å
181E92.6Very high90.4Very high38 Ų3846.2 Ų46.218%0.17826%0.258CS..EExtended strand (participates in β ladder)trans-75.9138.9165.2-173.648-131.200108.9D158 L159 L160 H183 F203 K206D158-E181 WeakPolarHBondContact O-CB 3.4Å; D158-E181 PolarHBondContact O-N 3.27Å; L159-E181 CarbonylContact C-O 3.59Å; L159-E181 WeakPolarHBondContact CA-O 3Å; L159-E181 HydrophobicContact CD1-CB 4.21Å; L159-E181 HydrophobicContact CD1-CG 4.25Å; L160-E181 PolarHBondContact N-O 3.12Å; E181-H183 WeakPolarHBondContact CG-NE2 3.39Å; E181-H183 IonicContact OE1-CD2 2.75Å; E181-H183 IonicContact OE1-NE2 3.13Å; E181-F203 HydrophobicContact CB-CD2 3.81Å; E181-F203 HydrophobicContact CB-CE2 4.07Å; E181-F203 HydrophobicContact CG-CD2 4.1Å; E181-K206 HydrophobicContact CG-CD 4.04Å; E181-K206 IonicContact OE1-NZ 3.94Å; E181-K206 PolarHBondContact OE1-NZ 3.15Å; E181-K206 WeakPolarHBondContact OE2-CD 3.44Å; E181-K206 WeakPolarHBondContact OE2-CE 3.4Å; E181-K206 IonicContact OE2-NZ 2.69Å; E181-K206 PolarHBondContact OE2-NZ 3.3Å
182I92.8Very high90.5Very high76 Ų7647.3 Ų47.339%0.3926%0.258SS..EExtended strand (participates in β ladder)trans-120.1114.9-173.8-56171.3000108.9L160 V162 V169L160-I182 HydrophobicContact CB-CG1 4.35Å; L160-I182 HydrophobicContact CD2-CG1 4.47Å; L160-I182 HydrophobicContact CD2-CG2 4.44Å; L160-I182 WeakPolarHBondContact O-CA 3.41Å; V162-I182 HydrophobicContact CG2-CG2 4.28Å; V169-I182 HydrophobicContact CG1-CD1 3.79Å
183H93.3Very high90.5Very high18 Ų1851.6 Ų51.68%0.08328%0.277CS..EExtended strand (participates in β ladder)trans-110.7131.1175.4-77.4-109.3000110.4L159 L160 V161 V162 E181 A199 E202L159-H183 HydrophobicContact CD1-CB 4.16Å; L159-H183 WeakPolarHBondContact CD1-CD2 3.21Å; L160-H183 PolarHBondContact O-N 3.28Å; V161-H183 CarbonylContact C-O 3.45Å; V161-H183 WeakPolarHBondContact CA-O 3.36Å; V162-H183 PolarHBondContact N-O 3.43Å; E181-H183 WeakPolarHBondContact CG-NE2 3.39Å; E181-H183 IonicContact OE1-CD2 2.75Å; E181-H183 IonicContact OE1-NE2 3.13Å; H183-A199 HydrophobicContact CB-CB 4.19Å; H183-E202 WeakPolarHBondContact CE1-CB 3.27Å; H183-E202 IonicContact CE1-OE2 2.93Å; H183-E202 PolarHBondContact CE1-OE2 2.89Å; H183-E202 IonicContact ND1-OE2 3.36Å; H183-E202 PolarHBondContact ND1-OE2 2.94Å
184V93.5Very high90.4Very high89 Ų8955.6 Ų55.654%0.53930%0.301SS..EExtended strand (participates in β ladder)trans-98.1117.3171.6-177.60000108V162 G164V162-V184 HydrophobicContact CB-CG2 4.45Å; V162-V184 CarbonylContact O-C 3.5Å; V162-V184 WeakPolarHBondContact O-CA 3.24Å; G164-V184 WeakPolarHBondContact O-CG1 3.43Å
185L93.7Very high90.7Very high15 Ų1554.9 Ų54.98%0.07929%0.294CS..EExtended strand (participates in β ladder)trans-101.7162.8174.1-69-170.9000110.4V161 V162 F163 G164 V191 D195 M196 A199V161-L185 HydrophobicContact CG1-CB 4.25Å; V161-L185 HydrophobicContact CG1-CD1 3.57Å; V161-L185 HydrophobicContact CG1-CG 3.81Å; V162-L185 PolarHBondContact O-N 2.75Å; F163-L185 HydrophobicContact CD1-CB 4.2Å; F163-L185 HydrophobicContact CE1-CB 4.42Å; F163-L185 HydrophobicContact CE1-CD1 4.39Å; G164-L185 PolarHBondContact N-O 2.98Å; L185-V191 HydrophobicContact CB-CG2 4.04Å; L185-V191 HydrophobicContact CD1-CG2 3.87Å; L185-D195 HydrophobicContact CD2-CB 4.17Å; L185-M196 HydrophobicContact CD1-SD 4.29Å; L185-A199 HydrophobicContact CD2-CB 4.2Å
186P92.7Very high91.2Very high51 Ų5152.1 Ų52.133%0.33128%0.282SS..SBendtrans-51.8160.8170.7-25.934.7000112.1L188 K190P186-L188 PolarHBondContact O-N 2.9Å; P186-K190 HydrophobicContact CB-CB 4.45Å
187P93.4Very high91.4Very high51 Ų5152.4 Ų52.433%0.33128%0.283SS..PPolyproline II helixtrans-48.8143.3174.2-2633.5000111.6S189 K190 V191P187-S189 PolarHBondContact O-N 3.43Å; P187-K190 WeakPolarHBondContact O-CA 3.33Å; P187-K190 PolarHBondContact O-N 3.14Å; P187-V191 PolarHBondContact O-N 3.43Å
188L94.1Very high91.4Very high2 Ų256 Ų561%0.0130%0.299CS..THydrogen-bonded Turntrans-54.6-31.9-173.8-177.668.6000113L53 E56 D58 R61 L62 L65 F163 P186 K190 V191L53-L188 HydrophobicContact CD2-CD2 4.18Å; E56-L188 HydrophobicContact CB-CB 4.02Å; E56-L188 HydrophobicContact CB-CD2 3.72Å; E56-L188 HydrophobicContact CG-CB 3.44Å; E56-L188 VanDerWaalsContact CG-CB 3.44Å; E56-L188 HydrophobicContact CG-CD2 4.12Å; E56-L188 HydrophobicContact CG-CG 4.45Å; D58-L188 HydrophobicContact CB-CD2 4.11Å; D58-L188 HydrophobicContact CB-CG 4.33Å; D58-L188 WeakPolarHBondContact O-CD2 3.33Å; R61-L188 HydrophobicContact CB-CD1 4.28Å; R61-L188 HydrophobicContact CB-CG 4.28Å; R61-L188 HydrophobicContact CG-CD1 4.24Å; R61-L188 WeakPolarHBondContact CG-O 3.35Å; L62-L188 HydrophobicContact CB-CD1 4.26Å; L62-L188 HydrophobicContact CB-CD2 4.07Å; L65-L188 HydrophobicContact CD1-CD1 3.86Å; F163-L188 HydrophobicContact CB-CB 4.42Å; F163-L188 HydrophobicContact CD1-CB 4.27Å; F163-L188 HydrophobicContact CD1-CD1 4.21Å; F163-L188 HydrophobicContact CE1-CD1 3.91Å; F163-L188 HydrophobicContact CE2-CD1 4.33Å; F163-L188 HydrophobicContact CG-CB 4.2Å; F163-L188 HydrophobicContact CZ-CD1 3.95Å; P186-L188 PolarHBondContact O-N 2.9Å; L188-K190 PolarHBondContact O-N 2.87Å; L188-V191 HydrophobicContact CD1-CG1 3.89Å; L188-V191 WeakPolarHBondContact O-CG1 3.03Å
189S92.6Very high91.8Very high72 Ų7252.6 Ų52.650%0.50328%0.275SS..THydrogen-bonded Turntrans-63.3-24175.757.50000113.9R61 P187R61-S189 PolarHBondContact NH2-O 3.4Å; P187-S189 PolarHBondContact O-N 3.43Å
190K93Very high92.2Very high148 Ų14845.9 Ų45.964%0.64325%0.25SC*.THydrogen-bonded Turntrans-109.8-19.7-176.9-63.2-176.9-178179.20113.8P186 P187 L188P186-K190 HydrophobicContact CB-CB 4.45Å; P187-K190 WeakPolarHBondContact O-CA 3.33Å; P187-K190 PolarHBondContact O-N 3.14Å; L188-K190 PolarHBondContact O-N 2.87Å
191V93.5Very high92.1Very high0 Ų046.8 Ų46.80%025%0.25CS..  trans-62.5140-176.476.20000111.7R61 L65 F163 L185 P187 L188 D195R61-V191 HydrophobicContact CG-CG1 4.12Å; R61-V191 PolarHBondContact NE-O 3.28Å; L65-V191 HydrophobicContact CD1-CG1 3.75Å; L65-V191 HydrophobicContact CD2-CG1 4.4Å; L65-V191 HydrophobicContact CG-CG1 4.47Å; F163-V191 HydrophobicContact CD1-CB 4.45Å; F163-V191 HydrophobicContact CD1-CG1 4.27Å; F163-V191 HydrophobicContact CE1-CB 4.42Å; F163-V191 HydrophobicContact CE1-CG1 3.97Å; F163-V191 HydrophobicContact CE1-CG2 4.26Å; L185-V191 HydrophobicContact CB-CG2 4.04Å; L185-V191 HydrophobicContact CD1-CG2 3.87Å; P187-V191 PolarHBondContact O-N 3.43Å; L188-V191 HydrophobicContact CD1-CG1 3.89Å; L188-V191 WeakPolarHBondContact O-CG1 3.03Å; V191-D195 HydrophobicContact CG2-CB 3.83Å
192T91Very high91.9Very high57 Ų5748.9 Ų48.935%0.3526%0.26SS..  trans-113.4166.4-178.668.80000111.1T194 D195 M196T192-T194 PolarHBondContact O-N 2.7Å; T192-T194 PolarHBondContact OG1-OG1 2.82Å; T192-D195 WeakPolarHBondContact CA-OD2 3.4Å; T192-D195 WeakPolarHBondContact CB-OD2 3.39Å; T192-D195 PolarHBondContact N-OD2 3.4Å; T192-D195 PolarHBondContact O-N 3.41Å; T192-D195 PolarHBondContact OG1-N 3.43Å; T192-D195 PolarHBondContact OG1-OD1 2.8Å; T192-D195 PolarHBondContact OG1-OD2 2.95Å; T192-M196 PolarHBondContact O-N 2.9Å
193K90.1Very high91.9Very high91 Ų9145.7 Ų45.740%0.39624%0.243SC..Hα-helixtrans-63.5-31.9173.7-63.8-175.2179-173.10112.3S64 M196 L197S64-K193 WeakPolarHBondContact OG-CE 3.43Å; K193-M196 PolarHBondContact O-N 3.49Å; K193-L197 WeakPolarHBondContact O-CG 3.39Å; K193-L197 PolarHBondContact O-N 3.28Å
194T88.7Confident91.6Very high83 Ų8345.4 Ų45.451%0.50924%0.243SC..Hα-helixtrans-63.6-41175.322.80000111.6T192 M196 L197 Q198T192-T194 PolarHBondContact O-N 2.7Å; T192-T194 PolarHBondContact OG1-OG1 2.82Å; T194-M196 VanDerWaalsContact C-N 3.34Å; T194-M196 PolarHBondContact O-N 3.29Å; T194-L197 PolarHBondContact O-N 2.98Å; T194-Q198 WeakPolarHBondContact O-CB 3.5Å; T194-Q198 PolarHBondContact O-N 3.4Å
195D92.2Very high91.2Very high48 Ų4847.3 Ų47.326%0.25725%0.25SS..Hα-helixtrans-62.8-42.6175.9-54.3-42.9000111.2L185 V191 T192 L197 Q198 A199L185-D195 HydrophobicContact CD2-CB 4.17Å; V191-D195 HydrophobicContact CG2-CB 3.83Å; T192-D195 WeakPolarHBondContact CA-OD2 3.4Å; T192-D195 WeakPolarHBondContact CB-OD2 3.39Å; T192-D195 PolarHBondContact N-OD2 3.4Å; T192-D195 PolarHBondContact O-N 3.41Å; T192-D195 PolarHBondContact OG1-N 3.43Å; T192-D195 PolarHBondContact OG1-OD1 2.8Å; T192-D195 PolarHBondContact OG1-OD2 2.95Å; D195-L197 PolarHBondContact O-N 3.15Å; D195-Q198 WeakPolarHBondContact O-CB 3.42Å; D195-Q198 PolarHBondContact O-N 3.45Å; D195-A199 PolarHBondContact O-N 3.18Å
196M93.6Very high90.6Very high0 Ų052 Ų520%027%0.27CS..Hα-helixtrans-63.4-42176.5-172.967.4-133.800112.4I49 F51 L65 L159 V161 L185 T192 K193 T194 Q198 A199 L200I49-M196 HydrophobicContact CD1-CE 4.07Å; F51-M196 HydrophobicContact CE1-CE 4.4Å; F51-M196 HydrophobicContact CE1-SD 3.8Å; F51-M196 HydrophobicContact CZ-CE 4.43Å; F51-M196 HydrophobicContact CZ-SD 4.03Å; L65-M196 HydrophobicContact CD2-CB 3.99Å; L65-M196 HydrophobicContact CD2-CG 4.4Å; L159-M196 HydrophobicContact CD2-CE 4.49Å; V161-M196 HydrophobicContact CG2-CE 4.11Å; V161-M196 HydrophobicContact CG2-SD 4.44Å; L185-M196 HydrophobicContact CD1-SD 4.29Å; T192-M196 PolarHBondContact O-N 2.9Å; K193-M196 PolarHBondContact O-N 3.49Å; T194-M196 VanDerWaalsContact C-N 3.34Å; T194-M196 PolarHBondContact O-N 3.29Å; M196-Q198 VanDerWaalsContact C-N 3.33Å; M196-A199 PolarHBondContact O-N 3.27Å; M196-L200 HydrophobicContact CE-CD1 4.42Å; M196-L200 HydrophobicContact CE-CD2 3.97Å; M196-L200 HydrophobicContact CE-CG 3.96Å; M196-L200 WeakPolarHBondContact O-CG 3.34Å; M196-L200 PolarHBondContact O-N 2.92Å; M196-L200 VanDerWaalsContact O-N 3.09Å
197L90Very high89.6Confident9 Ų956 Ų565%0.04728%0.284CS..Hα-helixtrans-65.4-40.3177-75.8166.5000111.9F33 H37 M72 K193 T194 D195 A199 L200 Y201F33-L197 HydrophobicContact CE1-CD1 4.39Å; F33-L197 HydrophobicContact CE1-CD2 3.97Å; F33-L197 HydrophobicContact CZ-CD1 3.84Å; F33-L197 HydrophobicContact CZ-CD2 3.85Å; F33-L197 HydrophobicContact CZ-CG 4.15Å; H37-L197 HydrophobicContact CB-CD1 4.36Å; H37-L197 WeakPolarHBondContact CD2-CD1 3.28Å; H37-L197 VanDerWaalsContact NE2-CD1 3.3Å; H37-L197 WeakPolarHBondContact NE2-CD1 3.46Å; M72-L197 HydrophobicContact CE-CD2 4.13Å; M72-L197 HydrophobicContact CG-CD2 4.31Å; M72-L197 HydrophobicContact SD-CD2 3.97Å; K193-L197 WeakPolarHBondContact O-CG 3.39Å; K193-L197 PolarHBondContact O-N 3.28Å; T194-L197 PolarHBondContact O-N 2.98Å; D195-L197 PolarHBondContact O-N 3.15Å; L197-A199 VanDerWaalsContact C-N 3.31Å; L197-A199 PolarHBondContact O-N 3.04Å; L197-L200 PolarHBondContact O-N 3.3Å; L197-L200 VanDerWaalsContact O-N 3.15Å; L197-Y201 HydrophobicContact CB-CE2 4.49Å; L197-Y201 WeakPolarHBondContact O-CD2 3.31Å; L197-Y201 PolarHBondContact O-N 2.83Å
198Q89.7Confident88.4Confident99 Ų9958.6 Ų58.646%0.46329%0.288SS..Hα-helixtrans-58.7-45.5175.3-176.96027.100110.8T194 D195 M196 L200 Y201 E202T194-Q198 WeakPolarHBondContact O-CB 3.5Å; T194-Q198 PolarHBondContact O-N 3.4Å; D195-Q198 WeakPolarHBondContact O-CB 3.42Å; D195-Q198 PolarHBondContact O-N 3.45Å; M196-Q198 VanDerWaalsContact C-N 3.33Å; Q198-L200 VanDerWaalsContact C-N 3.32Å; Q198-L200 PolarHBondContact O-N 2.59Å; Q198-Y201 WeakPolarHBondContact O-CB 3.3Å; Q198-Y201 PolarHBondContact O-N 3.11Å; Q198-Y201 VanDerWaalsContact O-N 3.14Å; Q198-E202 WeakPolarHBondContact CG-OE1 3.29Å; Q198-E202 PolarHBondContact NE2-OE1 3.02Å; Q198-E202 WeakPolarHBondContact O-CG 3.11Å; Q198-E202 PolarHBondContact O-N 3.04Å
199A92.4Very high86.9Confident1 Ų166.6 Ų66.61%0.00832%0.318CS..Hα-helixtrans-59.7-39.5174.300000112.8H183 L185 D195 M196 L197 E202 F203H183-A199 HydrophobicContact CB-CB 4.19Å; L185-A199 HydrophobicContact CD2-CB 4.2Å; D195-A199 PolarHBondContact O-N 3.18Å; M196-A199 PolarHBondContact O-N 3.27Å; L197-A199 VanDerWaalsContact C-N 3.31Å; L197-A199 PolarHBondContact O-N 3.04Å; A199-E202 PolarHBondContact O-N 2.86Å; A199-F203 WeakPolarHBondContact O-CB 3.35Å; A199-F203 PolarHBondContact O-N 3.49Å
200L91.9Very high85.5Confident0 Ų067.8 Ų67.80%031%0.314CS..Hα-helixtrans-67.3-36.8175.3-66.5175.5000112.7P42 P46 I49 M72 I74 L159 M196 L197 Q198 S204P42-L200 HydrophobicContact CG-CB 4.15Å; P46-L200 HydrophobicContact CG-CD2 3.89Å; I49-L200 HydrophobicContact CD1-CD2 3.69Å; M72-L200 HydrophobicContact CB-CD1 4.46Å; M72-L200 HydrophobicContact CG-CD1 4.09Å; I74-L200 HydrophobicContact CD1-CD1 4.11Å; I74-L200 HydrophobicContact CD1-CD2 3.94Å; L159-L200 HydrophobicContact CD2-CD2 3.98Å; M196-L200 HydrophobicContact CE-CD1 4.42Å; M196-L200 HydrophobicContact CE-CD2 3.97Å; M196-L200 HydrophobicContact CE-CG 3.96Å; M196-L200 WeakPolarHBondContact O-CG 3.34Å; M196-L200 PolarHBondContact O-N 2.92Å; M196-L200 VanDerWaalsContact O-N 3.09Å; L197-L200 PolarHBondContact O-N 3.3Å; L197-L200 VanDerWaalsContact O-N 3.15Å; Q198-L200 VanDerWaalsContact C-N 3.32Å; Q198-L200 PolarHBondContact O-N 2.59Å; L200-S204 WeakPolarHBondContact O-CB 3.3Å; L200-S204 PolarHBondContact O-N 3.37Å
201Y89.1Confident83.7Confident34 Ų3465.1 Ų65.113%0.13333%0.328CS..Hα-helixtrans-65.3-45.7174.3-82.2-61.3000111.6N39 S40 P42 L197 Q198 F203 S204 N205N39-Y201 HydrophobicContact CB-CE2 4.32Å; N39-Y201 WeakPolarHBondContact CB-OH 3.36Å; N39-Y201 PolarHBondContact O-OH 3.2Å; N39-Y201 VanDerWaalsContact O-OH 3.1Å; S40-Y201 WeakPolarHBondContact O-CE1 3.41Å; S40-Y201 PolarHBondContact O-OH 3.14Å; P42-Y201 HydrophobicContact CB-CD1 4.05Å; P42-Y201 HydrophobicContact CB-CE1 4.16Å; P42-Y201 HydrophobicContact CG-CD1 3.97Å; P42-Y201 HydrophobicContact CG-CE1 3.83Å; P42-Y201 HydrophobicContact CG-CG 4.43Å; L197-Y201 HydrophobicContact CB-CE2 4.49Å; L197-Y201 WeakPolarHBondContact O-CD2 3.31Å; L197-Y201 PolarHBondContact O-N 2.83Å; Q198-Y201 WeakPolarHBondContact O-CB 3.3Å; Q198-Y201 PolarHBondContact O-N 3.11Å; Q198-Y201 VanDerWaalsContact O-N 3.14Å; Y201-F203 VanDerWaalsContact C-N 3.34Å; Y201-F203 PolarHBondContact O-N 3.45Å; Y201-S204 PolarHBondContact O-N 3Å; Y201-S204 VanDerWaalsContact O-N 3.13Å; Y201-S204 PolarHBondContact O-OG 3.22Å; Y201-N205 PolarHBondContact O-N 2.95Å; Y201-N205 PolarHBondContact O-ND2 3.31Å
202E89Confident81.5Confident83 Ų8377 Ų7739%0.38838%0.38SS..Hα-helixtrans-62-43176.9-69.8168.2-175.200111.5H183 Q198 A199 S204 N205 K206H183-E202 WeakPolarHBondContact CE1-CB 3.27Å; H183-E202 IonicContact CE1-OE2 2.93Å; H183-E202 PolarHBondContact CE1-OE2 2.89Å; H183-E202 IonicContact ND1-OE2 3.36Å; H183-E202 PolarHBondContact ND1-OE2 2.94Å; Q198-E202 WeakPolarHBondContact CG-OE1 3.29Å; Q198-E202 PolarHBondContact NE2-OE1 3.02Å; Q198-E202 WeakPolarHBondContact O-CG 3.11Å; Q198-E202 PolarHBondContact O-N 3.04Å; A199-E202 PolarHBondContact O-N 2.86Å; E202-S204 VanDerWaalsContact C-N 3.32Å; E202-S204 PolarHBondContact O-N 2.92Å; E202-N205 PolarHBondContact O-N 2.63Å; E202-K206 PolarHBondContact O-N 3.45Å
203F91.6Very high81Confident9 Ų978 Ų784%0.03938%0.381CS..Hα-helixtrans-55.1-48.1170.7177.2-88.9000111.6I44 P46 D158 L159 E181 A199 Y201 N205 K206 R208I44-F203 HydrophobicContact CG2-CE1 4.21Å; P46-F203 HydrophobicContact CB-CD1 4.33Å; P46-F203 HydrophobicContact CB-CE1 3.85Å; P46-F203 HydrophobicContact CB-CE2 4.09Å; P46-F203 HydrophobicContact CB-CZ 3.71Å; P46-F203 HydrophobicContact CG-CD1 4.29Å; P46-F203 HydrophobicContact CG-CE1 4.25Å; D158-F203 HydrophobicContact CB-CE2 4.04Å; D158-F203 HydrophobicContact CB-CZ 3.93Å; D158-F203 WeakPolarHBondContact O-CE2 3.49Å; L159-F203 HydrophobicContact CB-CD2 3.94Å; L159-F203 HydrophobicContact CB-CE2 4.16Å; L159-F203 HydrophobicContact CD1-CD2 4.3Å; L159-F203 HydrophobicContact CD2-CB 4.39Å; L159-F203 HydrophobicContact CG-CD2 4.48Å; E181-F203 HydrophobicContact CB-CD2 3.81Å; E181-F203 HydrophobicContact CB-CE2 4.07Å; E181-F203 HydrophobicContact CG-CD2 4.1Å; A199-F203 WeakPolarHBondContact O-CB 3.35Å; A199-F203 PolarHBondContact O-N 3.49Å; Y201-F203 VanDerWaalsContact C-N 3.34Å; Y201-F203 PolarHBondContact O-N 3.45Å; F203-N205 PolarHBondContact O-N 2.94Å; F203-K206 PolarHBondContact O-N 3.43Å; F203-R208 VanDerWaalsContact CE2-NH2 3.31Å
204S88.2Confident80.5Confident12 Ų1277.3 Ų77.38%0.08438%0.38CS..Hα-helixtrans-65-26.8-177.177.30000113.8I44 L200 Y201 E202I44-S204 WeakPolarHBondContact O-CB 3.41Å; L200-S204 WeakPolarHBondContact O-CB 3.3Å; L200-S204 PolarHBondContact O-N 3.37Å; Y201-S204 PolarHBondContact O-N 3Å; Y201-S204 VanDerWaalsContact O-N 3.13Å; Y201-S204 PolarHBondContact O-OG 3.22Å; E202-S204 VanDerWaalsContact C-N 3.32Å; E202-S204 PolarHBondContact O-N 2.92Å
205N84.3Confident80.1Confident128 Ų12876.9 Ų76.968%0.68437%0.373SS*.Hα-helixtrans-90.8-8.8-177.9-70.1-29000113Y201 E202 F203 E207Y201-N205 PolarHBondContact O-N 2.95Å; Y201-N205 PolarHBondContact O-ND2 3.31Å; E202-N205 PolarHBondContact O-N 2.63Å; F203-N205 PolarHBondContact O-N 2.94Å; N205-E207 PolarHBondContact O-N 3.26Å
206K82.1Confident79.3Confident113 Ų11378.6 Ų78.649%0.49138%0.38SS..  trans-78.4122.4-179.5-106.8-172.4168.6-172.70111.2E181 E202 F203 R208E181-K206 HydrophobicContact CG-CD 4.04Å; E181-K206 IonicContact OE1-NZ 3.94Å; E181-K206 PolarHBondContact OE1-NZ 3.15Å; E181-K206 WeakPolarHBondContact OE2-CD 3.44Å; E181-K206 WeakPolarHBondContact OE2-CE 3.4Å; E181-K206 IonicContact OE2-NZ 2.69Å; E181-K206 PolarHBondContact OE2-NZ 3.3Å; E202-K206 PolarHBondContact O-N 3.45Å; F203-K206 PolarHBondContact O-N 3.43Å; K206-R208 PolarHBondContact O-N 3.28Å
207E70.1Confident78.5Confident136 Ų13683.6 Ų83.664%0.63640%0.404SS*.  trans-71.4108.8169.6-78.4-172.5156.300110.5N205 R209N205-E207 PolarHBondContact O-N 3.26Å; E207-R209 VanDerWaalsContact C-N 3.33Å; E207-R209 HydrophobicContact CB-CG 4.06Å; E207-R209 PolarHBondContact O-N 3.32Å; E207-R209 IonicContact OE1-NH2 2.98Å; E207-R209 IonicContact OE2-CZ 3.86Å; E207-R209 IonicContact OE2-NE 3.31Å; E207-R209 PolarHBondContact OE2-NE 3.2Å; E207-R209 IonicContact OE2-NH2 3.01Å; E207-R209 PolarHBondContact OE2-NH2 3.2Å
208R69.2Low77.7Confident105 Ų10588.5 Ų88.540%0.39643%0.428SS..  trans-76.682.8169.9-76.9176.1160.8-164.6-3.3109.7D158 F203 K206 F210D158-R208 PolarHBondContact O-NH2 3.33Å; D158-R208 VanDerWaalsContact O-NH2 3.09Å; D158-R208 IonicContact OD1-CZ 2.56Å; D158-R208 IonicContact OD1-NH1 3.99Å; D158-R208 PolarHBondContact OD1-NH1 3.46Å; D158-R208 IonicContact OD1-NH2 3.63Å; D158-R208 PolarHBondContact OD1-NH2 3Å; F203-R208 VanDerWaalsContact CE2-NH2 3.31Å; K206-R208 PolarHBondContact O-N 3.28Å; R208-F210 HydrophobicContact CB-CD2 3.77Å; R208-F210 HydrophobicContact CB-CE2 3.47Å; R208-F210 VanDerWaalsContact CB-CE2 3.47Å; R208-F210 HydrophobicContact CB-CZ 4.12Å; R208-F210 HydrophobicContact CG-CD2 4.28Å; R208-F210 HydrophobicContact CG-CE2 3.46Å; R208-F210 VanDerWaalsContact CG-CE2 3.46Å; R208-F210 HydrophobicContact CG-CZ 3.75Å; R208-F210 PolarHBondContact O-N 3.23Å
209R62.3Low76.8Confident171 Ų17187.8 Ų87.865%0.64543%0.425SS*.  trans-82.718.2179.9-63.2-168.3178.1-162.8-1.3114.5E207 G211 K212E207-R209 VanDerWaalsContact C-N 3.33Å; E207-R209 HydrophobicContact CB-CG 4.06Å; E207-R209 PolarHBondContact O-N 3.32Å; E207-R209 IonicContact OE1-NH2 2.98Å; E207-R209 IonicContact OE2-CZ 3.86Å; E207-R209 IonicContact OE2-NE 3.31Å; E207-R209 PolarHBondContact OE2-NE 3.2Å; E207-R209 IonicContact OE2-NH2 3.01Å; E207-R209 PolarHBondContact OE2-NH2 3.2Å; R209-G211 PolarHBondContact O-N 3.29Å; R209-K212 PolarHBondContact O-N 2.6Å
210F62.7Low75.6Confident97 Ų9794.5 Ų94.543%0.42546%0.457SS..THydrogen-bonded Turntrans-39.797.9-168-59.1-58.7000114.3W179 R208 K212W179-F210 HydrophobicContact CB-CE1 4.19Å; W179-F210 HydrophobicContact CB-CE2 4.3Å; W179-F210 HydrophobicContact CB-CZ 3.84Å; W179-F210 HydrophobicContact CD2-CD1 4.22Å; W179-F210 HydrophobicContact CD2-CE1 4.27Å; W179-F210 HydrophobicContact CE3-CB 4.38Å; W179-F210 AromaticContact CE3-CD1 3.2Å; W179-F210 HydrophobicContact CE3-CD1 3.2Å; W179-F210 AromaticContact CE3-CE1 3.41Å; W179-F210 HydrophobicContact CE3-CE1 3.41Å; W179-F210 VanDerWaalsContact CE3-CE1 3.41Å; W179-F210 AromaticContact CE3-CG 3.82Å; W179-F210 HydrophobicContact CE3-CG 3.82Å; W179-F210 HydrophobicContact CE3-CZ 4.15Å; W179-F210 HydrophobicContact CZ3-CB 4.12Å; W179-F210 AromaticContact CZ3-CD1 3.49Å; W179-F210 HydrophobicContact CZ3-CD1 3.49Å; W179-F210 VanDerWaalsContact CZ3-CD1 3.49Å; W179-F210 HydrophobicContact CZ3-CE1 4.14Å; W179-F210 HydrophobicContact CZ3-CG 4.03Å; R208-F210 HydrophobicContact CB-CD2 3.77Å; R208-F210 HydrophobicContact CB-CE2 3.47Å; R208-F210 VanDerWaalsContact CB-CE2 3.47Å; R208-F210 HydrophobicContact CB-CZ 4.12Å; R208-F210 HydrophobicContact CG-CD2 4.28Å; R208-F210 HydrophobicContact CG-CE2 3.46Å; R208-F210 VanDerWaalsContact CG-CE2 3.46Å; R208-F210 HydrophobicContact CG-CZ 3.75Å; R208-F210 PolarHBondContact O-N 3.23Å; F210-K212 VanDerWaalsContact C-N 3.34Å; F210-K212 PolarHBondContact O-N 3Å
211G56.5Low74.3Confident91 Ų91102.3 Ų102.394%0.93850%0.495SS*.THydrogen-bonded Turntrans70.214.6177.500000117.1R209R209-G211 PolarHBondContact O-N 3.29Å
212K46.3Very low72.9Confident249 Ų249108.5 Ų108.5100%1.08353%0.528SS*.  trans-110.60178.7-70.7-174.3179.8178.50113.1R209 F210R209-K212 PolarHBondContact O-N 2.6Å; F210-K212 VanDerWaalsContact C-N 3.34Å; F210-K212 PolarHBondContact O-N 3Å

Retrieved 212 of 212 residues in 112.3 ms (Link to these results)

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