A0A087X539_POEFO Loading...

FAS-associated factor 2

AlphaFold DB , UniProt , Accession A0A087X539, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 445 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
1M40.6Very low59.4Low250 Ų250133.7 Ų133.7100%1.23274%0.743SS**  096.50-141.6168.7173.800105.2
2A40.2Very low61.3Low99 Ų99127.2 Ų127.282%0.81872%0.719SS**PPolyproline II helixtrans-70.9133-177.100000108.9
3A40.2Very low63.1Low85 Ų85121.9 Ų121.970%0.70269%0.685SS**PPolyproline II helixtrans-60.8139.6168.700000108.5E5A3-E5 PolarHBondContact O-N 2.73Å
4P50.9Low64.7Low125 Ų125116.9 Ų116.981%0.81266%0.659SS**PPolyproline II helixtrans-64.8122.1175.226.5-30.2000108.4E6P4-E6 PolarHBondContact O-N 3.07Å
5E50.7Low66.3Low189 Ų189118.3 Ų118.388%0.88366%0.658SS**PPolyproline II helixtrans-57.8122.6172.4-68.3-172.7159.700109A3A3-E5 PolarHBondContact O-N 2.73Å
6E58.2Low67.6Low149 Ų149115.9 Ų115.970%0.69664%0.638SS**PPolyproline II helixtrans-67.3129.1173.5-68.5-172.7171.100108.7P4 E8P4-E6 PolarHBondContact O-N 3.07Å; E6-E8 PolarHBondContact O-N 3.31Å; E6-E8 VanDerWaalsContact O-N 3.1Å
7P63.8Low68.9Low92 Ų92109.3 Ų109.360%0.59760%0.602SS**PPolyproline II helixtrans-64.7118.717918-21.6000109.2L9 R33P7-L9 PolarHBondContact O-N 3.08Å; P7-R33 PolarHBondContact O-NH2 3.01Å
8E67.9Low69.9Low192 Ų192108 Ų10890%0.89759%0.594SS**PPolyproline II helixtrans-57121.8177.3-69.4-175159.600109.8E6E6-E8 PolarHBondContact O-N 3.31Å; E6-E8 VanDerWaalsContact O-N 3.1Å
9L75.9Confident70.8Confident51 Ų51107.7 Ų107.727%0.26759%0.587SS.*PPolyproline II helixtrans-71.2136.1178.3-72.8165.2000109.7P7 Q13 L17 W41P7-L9 PolarHBondContact O-N 3.08Å; L9-Q13 HydrophobicContact CB-CB 4.39Å; L9-Q13 HydrophobicContact CD2-CB 4.15Å; L9-L17 HydrophobicContact CD1-CD1 4.18Å; L9-W41 HydrophobicContact CD2-CH2 3.4Å; L9-W41 HydrophobicContact CD2-CZ2 3.49Å; L9-W41 VanDerWaalsContact CD2-CZ2 3.49Å
10S83.1Confident71.7Confident66 Ų66102.3 Ų102.346%0.46256%0.558SS.*PPolyproline II helixtrans-60.4153.5171.7-178.90000110.7A12 Q13 T14S10-A12 PolarHBondContact O-N 3.21Å; S10-Q13 WeakPolarHBondContact O-CA 3.49Å; S10-Q13 WeakPolarHBondContact O-CB 3.05Å; S10-Q13 PolarHBondContact O-N 2.96Å; S10-T14 PolarHBondContact O-N 2.94Å; S10-T14 PolarHBondContact O-OG1 2.86Å
11Q81.7Confident72.4Confident173 Ų17399.6 Ų99.681%0.80854%0.541SS*.Hα-helixtrans-55.3-39.7177.3-164.9174.17.700111.9Q13 T14 E15Q11-Q13 PolarHBondContact O-N 3.05Å; Q11-T14 PolarHBondContact O-N 2.7Å; Q11-E15 PolarHBondContact O-N 2.96Å
12A83Confident74.5Confident55 Ų5594.6 Ų94.646%0.45552%0.52SS..Hα-helixtrans-67.8-32.7175.300000113.1S10 K16S10-A12 PolarHBondContact O-N 3.21Å; A12-K16 VanDerWaalsContact O-CG 3.26Å; A12-K16 WeakPolarHBondContact O-CG 3.34Å; A12-K16 PolarHBondContact O-N 3.31Å
13Q84.6Confident76.5Confident59 Ų5994.9 Ų94.928%0.27651%0.507SS..Hα-helixtrans-72.6-38.7176-73.4176.3-3800111L9 S10 Q11 K16 L17 W41L9-Q13 HydrophobicContact CB-CB 4.39Å; L9-Q13 HydrophobicContact CD2-CB 4.15Å; S10-Q13 WeakPolarHBondContact O-CA 3.49Å; S10-Q13 WeakPolarHBondContact O-CB 3.05Å; S10-Q13 PolarHBondContact O-N 2.96Å; Q11-Q13 PolarHBondContact O-N 3.05Å; Q13-K16 PolarHBondContact O-N 3.32Å; Q13-L17 VanDerWaalsContact O-CB 3.3Å; Q13-L17 WeakPolarHBondContact O-CB 2.95Å; Q13-L17 PolarHBondContact O-N 3.03Å; Q13-W41 HydrophobicContact CB-CD2 4.21Å; Q13-W41 HydrophobicContact CB-CE3 3.83Å; Q13-W41 HydrophobicContact CB-CH2 3.62Å; Q13-W41 HydrophobicContact CB-CZ2 3.97Å; Q13-W41 HydrophobicContact CB-CZ3 3.54Å; Q13-W41 HydrophobicContact CG-CD2 3.73Å; Q13-W41 HydrophobicContact CG-CE3 3.83Å; Q13-W41 HydrophobicContact CG-CG 4.37Å; Q13-W41 HydrophobicContact CG-CH2 4.08Å; Q13-W41 HydrophobicContact CG-CZ2 3.95Å; Q13-W41 HydrophobicContact CG-CZ3 4.02Å; Q13-W41 VanDerWaalsContact NE2-CE2 3.32Å; Q13-W41 VanDerWaalsContact NE2-NE1 3.19Å; Q13-W41 WeakPolarHBondContact O-CZ3 3.46Å
14T85.7Confident78.5Confident52 Ų5291.8 Ų91.832%0.31948%0.479SS..Hα-helixtrans-64.3-41.5176.8-50.50000111.4S10 Q11 L17 L18S10-T14 PolarHBondContact O-N 2.94Å; S10-T14 PolarHBondContact O-OG1 2.86Å; Q11-T14 PolarHBondContact O-N 2.7Å; T14-L17 PolarHBondContact O-N 2.81Å; T14-L18 HydrophobicContact CG2-CD1 4.38Å; T14-L18 WeakPolarHBondContact O-CG 3.35Å; T14-L18 PolarHBondContact O-N 2.68Å
15E87.6Confident79.8Confident138 Ų13888.9 Ų88.965%0.64547%0.472SS*.Hα-helixtrans-63-45.4175.4-170.2174.6-166.200111.8Q11 L17 L18 Q19Q11-E15 PolarHBondContact O-N 2.96Å; E15-L17 VanDerWaalsContact C-N 3.27Å; E15-L17 PolarHBondContact O-N 3.11Å; E15-L18 PolarHBondContact O-N 2.86Å; E15-Q19 WeakPolarHBondContact O-CB 3.31Å; E15-Q19 PolarHBondContact O-N 3.33Å
16K88.2Confident81Confident79 Ų7981 Ų8134%0.34344%0.436SS..Hα-helixtrans-62.1-34.9175.1-71.1-177170.7-1710113A12 Q13 F20 W41 I43A12-K16 VanDerWaalsContact O-CG 3.26Å; A12-K16 WeakPolarHBondContact O-CG 3.34Å; A12-K16 PolarHBondContact O-N 3.31Å; Q13-K16 PolarHBondContact O-N 3.32Å; K16-F20 VanDerWaalsContact O-CB 3.3Å; K16-F20 WeakPolarHBondContact O-CB 3.44Å; K16-F20 PolarHBondContact O-N 3.03Å; K16-W41 HydrophobicContact CB-CE3 4.27Å; K16-W41 HydrophobicContact CD-CB 4.31Å; K16-W41 HydrophobicContact CD-CE3 4.48Å; K16-W41 WeakPolarHBondContact CD-O 3.31Å; K16-W41 PolarHBondContact NZ-O 3.02Å; K16-I43 HydrophobicContact CB-CD1 3.79Å; K16-I43 HydrophobicContact CB-CG1 3.95Å; K16-I43 HydrophobicContact CD-CD1 4.21Å; K16-I43 HydrophobicContact CD-CG1 4.36Å; K16-I43 HydrophobicContact CG-CD1 3.57Å; K16-I43 HydrophobicContact CG-CG1 4.08Å
17L89.1Confident81.9Confident4 Ų482.9 Ų82.92%0.02145%0.445CS..Hα-helixtrans-70.2-43.2179.6-170.2147.5000112L9 Q13 T14 E15 F20 Q21 M29 C32 R33 L36 W41L9-L17 HydrophobicContact CD1-CD1 4.18Å; Q13-L17 VanDerWaalsContact O-CB 3.3Å; Q13-L17 WeakPolarHBondContact O-CB 2.95Å; Q13-L17 PolarHBondContact O-N 3.03Å; T14-L17 PolarHBondContact O-N 2.81Å; E15-L17 VanDerWaalsContact C-N 3.27Å; E15-L17 PolarHBondContact O-N 3.11Å; L17-F20 PolarHBondContact O-N 2.82Å; L17-Q21 WeakPolarHBondContact O-CB 3.28Å; L17-Q21 PolarHBondContact O-N 3.27Å; L17-M29 HydrophobicContact CD2-CE 3.16Å; L17-M29 HydrophobicContact CD2-SD 3.39Å; L17-M29 WeakPolarHBondContact CD2-SD 3.08Å; L17-C32 HydrophobicContact CG-CB 4.26Å; L17-R33 HydrophobicContact CD1-CB 3.69Å; L17-R33 HydrophobicContact CD1-CG 4.16Å; L17-L36 HydrophobicContact CB-CD1 4Å; L17-L36 HydrophobicContact CG-CD1 4.26Å; L17-W41 HydrophobicContact CB-CZ3 4.3Å; L17-W41 HydrophobicContact CD1-CH2 4.35Å
18L86.8Confident82.7Confident86 Ų8680.4 Ų80.445%0.4543%0.429SS..Hα-helixtrans-63.5-44.2173.2-74.2163.3000111.4T14 E15 F20 Q21 D22T14-L18 HydrophobicContact CG2-CD1 4.38Å; T14-L18 WeakPolarHBondContact O-CG 3.35Å; T14-L18 PolarHBondContact O-N 2.68Å; E15-L18 PolarHBondContact O-N 2.86Å; L18-F20 VanDerWaalsContact C-N 3.33Å; L18-F20 PolarHBondContact O-N 3.3Å; L18-Q21 WeakPolarHBondContact O-CB 3.38Å; L18-Q21 PolarHBondContact O-N 3.19Å; L18-Q21 VanDerWaalsContact O-N 3.15Å; L18-D22 PolarHBondContact O-N 2.58Å
19Q87Confident83.3Confident102 Ų10275.2 Ų75.248%0.47741%0.406SS..Hα-helixtrans-62.2-41.1177.2-169.9175.623.500112.1E15 Q21 L23E15-Q19 WeakPolarHBondContact O-CB 3.31Å; E15-Q19 PolarHBondContact O-N 3.33Å; Q19-Q21 VanDerWaalsContact C-N 3.33Å; Q19-L23 HydrophobicContact CG-CD1 4.2Å; Q19-L23 WeakPolarHBondContact O-CB 3.13Å; Q19-L23 VanDerWaalsContact O-CG 3.26Å; Q19-L23 WeakPolarHBondContact O-CG 3.28Å; Q19-L23 PolarHBondContact O-N 2.76Å; Q19-L23 VanDerWaalsContact O-N 3.12Å
20F88.7Confident83.5Confident0 Ų077.2 Ų77.20%042%0.417CS..Hα-helixtrans-65-37.6174.5-177.8-99.2000112.3K16 L17 L18 L23 T24 L26 C32 T35 L36 A46 V47K16-F20 VanDerWaalsContact O-CB 3.3Å; K16-F20 WeakPolarHBondContact O-CB 3.44Å; K16-F20 PolarHBondContact O-N 3.03Å; L17-F20 PolarHBondContact O-N 2.82Å; L18-F20 VanDerWaalsContact C-N 3.33Å; L18-F20 PolarHBondContact O-N 3.3Å; F20-L23 PolarHBondContact O-N 3.08Å; F20-T24 HydrophobicContact CD1-CG2 4.4Å; F20-T24 HydrophobicContact CD2-CG2 4.02Å; F20-T24 HydrophobicContact CE1-CG2 4.03Å; F20-T24 HydrophobicContact CE2-CG2 3.59Å; F20-T24 HydrophobicContact CG-CG2 4.41Å; F20-T24 HydrophobicContact CZ-CG2 3.61Å; F20-T24 WeakPolarHBondContact O-CB 3.19Å; F20-T24 WeakPolarHBondContact O-CG2 3.3Å; F20-T24 PolarHBondContact O-N 2.81Å; F20-T24 PolarHBondContact O-OG1 3.22Å; F20-L26 HydrophobicContact CE1-CD1 4.07Å; F20-C32 HydrophobicContact CD1-CB 3.75Å; F20-C32 HydrophobicContact CE1-CB 4.13Å; F20-T35 HydrophobicContact CE1-CG2 4.5Å; F20-T35 HydrophobicContact CZ-CG2 3.91Å; F20-L36 HydrophobicContact CB-CD1 3.86Å; F20-L36 HydrophobicContact CB-CD2 4.27Å; F20-L36 HydrophobicContact CB-CG 4.31Å; F20-L36 HydrophobicContact CD1-CD1 4.36Å; F20-L36 HydrophobicContact CD1-CG 4.34Å; F20-L36 HydrophobicContact CD2-CD2 4.12Å; F20-L36 HydrophobicContact CD2-CG 4.45Å; F20-L36 HydrophobicContact CG-CD1 4.13Å; F20-L36 HydrophobicContact CG-CD2 4.16Å; F20-L36 HydrophobicContact CG-CG 4.11Å; F20-A46 HydrophobicContact CD2-CB 4.04Å; F20-A46 HydrophobicContact CE2-CB 3.52Å; F20-A46 HydrophobicContact CZ-CB 4.23Å; F20-V47 HydrophobicContact CD2-CG2 3.61Å; F20-V47 HydrophobicContact CE2-CG2 3.8Å
21Q87.4Confident83.3Confident45 Ų4578.9 Ų78.921%0.2142%0.418CS..Hα-helixtrans-62.6-47.4176.8-167.1-177.313.300111.6L17 L18 Q19 L23 T24 G25 L26 M29L17-Q21 WeakPolarHBondContact O-CB 3.28Å; L17-Q21 PolarHBondContact O-N 3.27Å; L18-Q21 WeakPolarHBondContact O-CB 3.38Å; L18-Q21 PolarHBondContact O-N 3.19Å; L18-Q21 VanDerWaalsContact O-N 3.15Å; Q19-Q21 VanDerWaalsContact C-N 3.33Å; Q21-L23 VanDerWaalsContact C-N 3.33Å; Q21-L23 PolarHBondContact O-N 3.42Å; Q21-T24 PolarHBondContact O-N 2.93Å; Q21-G25 WeakPolarHBondContact O-CA 3.27Å; Q21-G25 PolarHBondContact O-N 3.17Å; Q21-L26 WeakPolarHBondContact CG-O 3.14Å; Q21-L26 PolarHBondContact NE2-O 3.06Å; Q21-M29 PolarHBondContact OE1-SD 3.16Å
22D84.7Confident83.4Confident146 Ų14670.7 Ų70.778%0.78138%0.379SS*.Hα-helixtrans-62.1-39.9177.2-87.6-4.8000112.1L18L18-D22 PolarHBondContact O-N 2.58Å
23L82Confident83.4Confident104 Ų10470 Ų7055%0.54537%0.365SS..Hα-helixtrans-74.4-33.3-178.7-71.1171.4000113.5Q19 F20 Q21 I43 V47Q19-L23 HydrophobicContact CG-CD1 4.2Å; Q19-L23 WeakPolarHBondContact O-CB 3.13Å; Q19-L23 VanDerWaalsContact O-CG 3.26Å; Q19-L23 WeakPolarHBondContact O-CG 3.28Å; Q19-L23 PolarHBondContact O-N 2.76Å; Q19-L23 VanDerWaalsContact O-N 3.12Å; F20-L23 PolarHBondContact O-N 3.08Å; Q21-L23 VanDerWaalsContact C-N 3.33Å; Q21-L23 PolarHBondContact O-N 3.42Å; L23-I43 HydrophobicContact CD1-CG2 4.2Å; L23-V47 HydrophobicContact CB-CG2 4.22Å; L23-V47 HydrophobicContact CD1-CG2 4.1Å
24T80.5Confident83.4Confident20 Ų2075 Ų7512%0.12338%0.382CS..Hα-helixtrans-100-14-175.260.60000114.2F20 Q21 L26 V47 R50F20-T24 HydrophobicContact CD1-CG2 4.4Å; F20-T24 HydrophobicContact CD2-CG2 4.02Å; F20-T24 HydrophobicContact CE1-CG2 4.03Å; F20-T24 HydrophobicContact CE2-CG2 3.59Å; F20-T24 HydrophobicContact CG-CG2 4.41Å; F20-T24 HydrophobicContact CZ-CG2 3.61Å; F20-T24 WeakPolarHBondContact O-CB 3.19Å; F20-T24 WeakPolarHBondContact O-CG2 3.3Å; F20-T24 PolarHBondContact O-N 2.81Å; F20-T24 PolarHBondContact O-OG1 3.22Å; Q21-T24 PolarHBondContact O-N 2.93Å; T24-L26 PolarHBondContact O-N 2.89Å; T24-V47 HydrophobicContact CG2-CG2 4.26Å; T24-R50 HydrophobicContact CG2-CB 4.31Å; T24-R50 HydrophobicContact CG2-CG 4.06Å
25G78.8Confident83.2Confident64 Ų6473.9 Ų73.966%0.6638%0.375SS*.THydrogen-bonded Turntrans66.722.2-178.700000113.9Q21Q21-G25 WeakPolarHBondContact O-CA 3.27Å; Q21-G25 PolarHBondContact O-N 3.17Å
26L76.9Confident83.1Confident24 Ų2467.3 Ų67.313%0.12634%0.344CS..  trans-78126.8-179.9-79.2171.6000111.4F20 Q21 T24 S28 C32F20-L26 HydrophobicContact CE1-CD1 4.07Å; Q21-L26 WeakPolarHBondContact CG-O 3.14Å; Q21-L26 PolarHBondContact NE2-O 3.06Å; T24-L26 PolarHBondContact O-N 2.89Å; L26-S28 VanDerWaalsContact C-N 3.33Å; L26-C32 VanDerWaalsContact CB-SG 3.54Å
27E76.3Confident83.1Confident189 Ų18967.6 Ų67.688%0.88335%0.347SS*.SBendtrans-76.7-20.9177.5-63.9-178.8168.900112.9
28S81.2Confident82.7Confident39 Ų3972.1 Ų72.127%0.27337%0.367SS..  trans-97.4108.9-175.1-179.70000112.3L26 D30 Q31 C32L26-S28 VanDerWaalsContact C-N 3.33Å; S28-D30 VanDerWaalsContact C-N 3.28Å; S28-D30 PolarHBondContact O-N 2.94Å; S28-Q31 PolarHBondContact O-N 2.87Å; S28-C32 PolarHBondContact O-N 2.97Å; S28-C32 PolarHBondContact O-SG 2.78Å
29M79.2Confident82.6Confident83 Ų8368.6 Ų68.641%0.40935%0.349SS..Hα-helixtrans-58.2-37.7175.4-69.8-70.8-85.900112.8L17 Q21 Q31 C32 R33L17-M29 HydrophobicContact CD2-CE 3.16Å; L17-M29 HydrophobicContact CD2-SD 3.39Å; L17-M29 WeakPolarHBondContact CD2-SD 3.08Å; Q21-M29 PolarHBondContact OE1-SD 3.16Å; M29-Q31 VanDerWaalsContact C-N 3.32Å; M29-Q31 PolarHBondContact O-N 2.79Å; M29-C32 PolarHBondContact O-N 2.86Å; M29-R33 WeakPolarHBondContact O-CB 3.42Å; M29-R33 PolarHBondContact O-N 3.22Å
30D81.1Confident82.5Confident94 Ų9470.7 Ų70.750%0.50336%0.363SS..Hα-helixtrans-66.6-34.3179.3-61.5-44.3000112.7S28 R34S28-D30 VanDerWaalsContact C-N 3.28Å; S28-D30 PolarHBondContact O-N 2.94Å; D30-R34 WeakPolarHBondContact O-CG 3.44Å; D30-R34 PolarHBondContact O-N 2.64Å; D30-R34 VanDerWaalsContact O-N 3.1Å
31Q79Confident82.4Confident101 Ų10172.3 Ų72.347%0.47237%0.369SS..Hα-helixtrans-70.9-45.7175.7-68.5-175.922.800110.5S28 M29 R33 R34 T35S28-Q31 PolarHBondContact O-N 2.87Å; M29-Q31 VanDerWaalsContact C-N 3.32Å; M29-Q31 PolarHBondContact O-N 2.79Å; Q31-R33 VanDerWaalsContact C-N 3.28Å; Q31-R33 PolarHBondContact O-N 3.13Å; Q31-R34 PolarHBondContact O-N 2.86Å; Q31-T35 PolarHBondContact O-N 2.83Å; Q31-T35 PolarHBondContact O-OG1 2.99Å; Q31-T35 VanDerWaalsContact O-OG1 3.06Å
32C82.8Confident82.3Confident0 Ų073.9 Ų73.90%038%0.379CS..Hα-helixtrans-54.9-44.8173.8-670000111.8L17 F20 L26 S28 M29 T35 L36L17-C32 HydrophobicContact CG-CB 4.26Å; F20-C32 HydrophobicContact CD1-CB 3.75Å; F20-C32 HydrophobicContact CE1-CB 4.13Å; L26-C32 VanDerWaalsContact CB-SG 3.54Å; S28-C32 PolarHBondContact O-N 2.97Å; S28-C32 PolarHBondContact O-SG 2.78Å; M29-C32 PolarHBondContact O-N 2.86Å; C32-T35 PolarHBondContact O-N 3.38Å; C32-L36 WeakPolarHBondContact O-CB 3.48Å; C32-L36 WeakPolarHBondContact O-CG 3.42Å; C32-L36 PolarHBondContact O-N 2.77Å
33R84.5Confident82.4Confident40 Ų4068.1 Ų68.115%0.15135%0.348CS..Hα-helixtrans-58.8-53176.9-172.4-179.2176.8152.210.5111.9P7 L17 M29 Q31 T35 L36 E37P7-R33 PolarHBondContact O-NH2 3.01Å; L17-R33 HydrophobicContact CD1-CB 3.69Å; L17-R33 HydrophobicContact CD1-CG 4.16Å; M29-R33 WeakPolarHBondContact O-CB 3.42Å; M29-R33 PolarHBondContact O-N 3.22Å; Q31-R33 VanDerWaalsContact C-N 3.28Å; Q31-R33 PolarHBondContact O-N 3.13Å; R33-T35 VanDerWaalsContact C-N 3.32Å; R33-T35 PolarHBondContact O-N 2.92Å; R33-L36 PolarHBondContact O-N 3.06Å; R33-E37 HydrophobicContact CG-CG 4.43Å; R33-E37 WeakPolarHBondContact CG-OE1 3.4Å; R33-E37 IonicContact CZ-OE1 3.75Å; R33-E37 IonicContact NE-OE1 3.53Å; R33-E37 PolarHBondContact NE-OE1 3.41Å; R33-E37 IonicContact NH2-OE1 2.88Å; R33-E37 WeakPolarHBondContact O-CB 3.39Å; R33-E37 WeakPolarHBondContact O-CG 3.48Å; R33-E37 PolarHBondContact O-N 2.91Å
34R83.4Confident82.4Confident165 Ų16571 Ų7162%0.62336%0.359SS*.Hα-helixtrans-61.2-41-178.2-73.4176.3-170.9170.26.6112.1D30 Q31 E37 Q38D30-R34 WeakPolarHBondContact O-CG 3.44Å; D30-R34 PolarHBondContact O-N 2.64Å; D30-R34 VanDerWaalsContact O-N 3.1Å; Q31-R34 PolarHBondContact O-N 2.86Å; R34-E37 PolarHBondContact O-N 2.95Å; R34-Q38 VanDerWaalsContact O-CG 3.25Å; R34-Q38 WeakPolarHBondContact O-CG 3.42Å; R34-Q38 PolarHBondContact O-N 3.45Å
35T82.7Confident82.4Confident28 Ų2871.7 Ų71.717%0.17237%0.367CS..Hα-helixtrans-66.1-43177.6-54.30000111.2F20 Q31 C32 R33 Q38 H39 A46F20-T35 HydrophobicContact CE1-CG2 4.5Å; F20-T35 HydrophobicContact CZ-CG2 3.91Å; Q31-T35 PolarHBondContact O-N 2.83Å; Q31-T35 PolarHBondContact O-OG1 2.99Å; Q31-T35 VanDerWaalsContact O-OG1 3.06Å; C32-T35 PolarHBondContact O-N 3.38Å; R33-T35 VanDerWaalsContact C-N 3.32Å; R33-T35 PolarHBondContact O-N 2.92Å; T35-Q38 PolarHBondContact O-N 2.62Å; T35-H39 PolarHBondContact O-CD2 2.96Å; T35-H39 VanDerWaalsContact O-CD2 3.25Å; T35-H39 PolarHBondContact O-N 2.94Å; T35-H39 VanDerWaalsContact O-N 3.16Å; T35-A46 HydrophobicContact CG2-CB 4.33Å
36L85.9Confident82.6Confident0 Ų068.7 Ų68.70%034%0.335CS..Hα-helixtrans-65.7-38.6175.5-75.8169.4000112.7L17 F20 C32 R33 H39 N40 W41 I43 A46L17-L36 HydrophobicContact CB-CD1 4Å; L17-L36 HydrophobicContact CG-CD1 4.26Å; F20-L36 HydrophobicContact CB-CD1 3.86Å; F20-L36 HydrophobicContact CB-CD2 4.27Å; F20-L36 HydrophobicContact CB-CG 4.31Å; F20-L36 HydrophobicContact CD1-CD1 4.36Å; F20-L36 HydrophobicContact CD1-CG 4.34Å; F20-L36 HydrophobicContact CD2-CD2 4.12Å; F20-L36 HydrophobicContact CD2-CG 4.45Å; F20-L36 HydrophobicContact CG-CD1 4.13Å; F20-L36 HydrophobicContact CG-CD2 4.16Å; F20-L36 HydrophobicContact CG-CG 4.11Å; C32-L36 WeakPolarHBondContact O-CB 3.48Å; C32-L36 WeakPolarHBondContact O-CG 3.42Å; C32-L36 PolarHBondContact O-N 2.77Å; R33-L36 PolarHBondContact O-N 3.06Å; L36-H39 CarbonylContact O-C 3.56Å; L36-H39 PolarHBondContact O-N 3.27Å; L36-N40 PolarHBondContact O-N 2.52Å; L36-W41 HydrophobicContact CB-CD2 4.37Å; L36-W41 HydrophobicContact CB-CE3 4.03Å; L36-W41 HydrophobicContact CB-CZ3 4.15Å; L36-W41 HydrophobicContact CD1-CE3 4.19Å; L36-W41 HydrophobicContact CD1-CZ3 3.92Å; L36-W41 WeakPolarHBondContact O-CA 3.22Å; L36-W41 PolarHBondContact O-N 2.87Å; L36-I43 HydrophobicContact CD2-CG1 4.27Å; L36-A46 HydrophobicContact CD2-CB 4Å
37E86.3Confident82.9Confident86 Ų8668.6 Ų68.640%0.40234%0.336SS..Hα-helixtrans-62.7-41.2175.7-76.4173.6-179.900111.8R33 R34 H39 N40 W41R33-E37 HydrophobicContact CG-CG 4.43Å; R33-E37 WeakPolarHBondContact CG-OE1 3.4Å; R33-E37 IonicContact CZ-OE1 3.75Å; R33-E37 IonicContact NE-OE1 3.53Å; R33-E37 PolarHBondContact NE-OE1 3.41Å; R33-E37 IonicContact NH2-OE1 2.88Å; R33-E37 WeakPolarHBondContact O-CB 3.39Å; R33-E37 WeakPolarHBondContact O-CG 3.48Å; R33-E37 PolarHBondContact O-N 2.91Å; R34-E37 PolarHBondContact O-N 2.95Å; E37-H39 VanDerWaalsContact C-N 3.26Å; E37-H39 PolarHBondContact O-N 3.03Å; E37-N40 PolarHBondContact O-N 3.28Å; E37-W41 HydrophobicContact CG-CZ2 4.01Å
38Q82.3Confident83Confident98 Ų9864.8 Ų64.846%0.45832%0.318SS..Hα-helixtrans-62.1-34.5174.7-74.2171.8-17.100112.8R34 T35 N40R34-Q38 VanDerWaalsContact O-CG 3.25Å; R34-Q38 WeakPolarHBondContact O-CG 3.42Å; R34-Q38 PolarHBondContact O-N 3.45Å; T35-Q38 PolarHBondContact O-N 2.62Å; Q38-N40 VanDerWaalsContact C-N 3.34Å
39H84.3Confident82.9Confident13 Ų1363.6 Ų63.66%0.0631%0.309CS..THydrogen-bonded Turntrans-95.521.2-179.8-74.9-78.8000113T35 L36 E37 W41 N42 A46 D49 F61T35-H39 PolarHBondContact O-CD2 2.96Å; T35-H39 VanDerWaalsContact O-CD2 3.25Å; T35-H39 PolarHBondContact O-N 2.94Å; T35-H39 VanDerWaalsContact O-N 3.16Å; L36-H39 CarbonylContact O-C 3.56Å; L36-H39 PolarHBondContact O-N 3.27Å; E37-H39 VanDerWaalsContact C-N 3.26Å; E37-H39 PolarHBondContact O-N 3.03Å; H39-W41 PolarHBondContact O-N 2.92Å; H39-W41 VanDerWaalsContact O-N 3.15Å; H39-N42 VanDerWaalsContact O-CB 3.28Å; H39-N42 WeakPolarHBondContact O-CB 3.48Å; H39-N42 PolarHBondContact O-N 2.85Å; H39-A46 HydrophobicContact CB-CB 3.95Å; H39-D49 IonicContact CE1-OD2 3.13Å; H39-D49 PolarHBondContact CE1-OD2 3.42Å; H39-D49 IonicContact NE2-OD2 2.64Å; H39-D49 PolarHBondContact NE2-OD2 2.79Å; H39-F61 AromaticContact CE1-CD2 3.49Å; H39-F61 VanDerWaalsContact CE1-CD2 3.49Å; H39-F61 WeakPolarHBondContact CE1-CD2 3.24Å; H39-F61 AromaticContact CE1-CE2 3.95Å
40N85.3Confident82.8Confident146 Ų14662.7 Ų62.778%0.78130%0.301SS*.THydrogen-bonded Turntrans50.238.7179.6-66.2-46.8000113.6L36 E37 Q38 N42L36-N40 PolarHBondContact O-N 2.52Å; E37-N40 PolarHBondContact O-N 3.28Å; Q38-N40 VanDerWaalsContact C-N 3.34Å; N40-N42 PolarHBondContact O-N 2.85Å
41W86.4Confident82.4Confident34 Ų3461.2 Ų61.213%0.12929%0.293CS..THydrogen-bonded Turntrans59.227.4-177.5-62.787000114.6L9 Q13 K16 L17 L36 E37 H39L9-W41 HydrophobicContact CD2-CH2 3.4Å; L9-W41 HydrophobicContact CD2-CZ2 3.49Å; L9-W41 VanDerWaalsContact CD2-CZ2 3.49Å; Q13-W41 HydrophobicContact CB-CD2 4.21Å; Q13-W41 HydrophobicContact CB-CE3 3.83Å; Q13-W41 HydrophobicContact CB-CH2 3.62Å; Q13-W41 HydrophobicContact CB-CZ2 3.97Å; Q13-W41 HydrophobicContact CB-CZ3 3.54Å; Q13-W41 HydrophobicContact CG-CD2 3.73Å; Q13-W41 HydrophobicContact CG-CE3 3.83Å; Q13-W41 HydrophobicContact CG-CG 4.37Å; Q13-W41 HydrophobicContact CG-CH2 4.08Å; Q13-W41 HydrophobicContact CG-CZ2 3.95Å; Q13-W41 HydrophobicContact CG-CZ3 4.02Å; Q13-W41 VanDerWaalsContact NE2-CE2 3.32Å; Q13-W41 VanDerWaalsContact NE2-NE1 3.19Å; Q13-W41 WeakPolarHBondContact O-CZ3 3.46Å; K16-W41 HydrophobicContact CB-CE3 4.27Å; K16-W41 HydrophobicContact CD-CB 4.31Å; K16-W41 HydrophobicContact CD-CE3 4.48Å; K16-W41 WeakPolarHBondContact CD-O 3.31Å; K16-W41 PolarHBondContact NZ-O 3.02Å; L17-W41 HydrophobicContact CB-CZ3 4.3Å; L17-W41 HydrophobicContact CD1-CH2 4.35Å; L36-W41 HydrophobicContact CB-CD2 4.37Å; L36-W41 HydrophobicContact CB-CE3 4.03Å; L36-W41 HydrophobicContact CB-CZ3 4.15Å; L36-W41 HydrophobicContact CD1-CE3 4.19Å; L36-W41 HydrophobicContact CD1-CZ3 3.92Å; L36-W41 WeakPolarHBondContact O-CA 3.22Å; L36-W41 PolarHBondContact O-N 2.87Å; E37-W41 HydrophobicContact CG-CZ2 4.01Å; H39-W41 PolarHBondContact O-N 2.92Å; H39-W41 VanDerWaalsContact O-N 3.15Å
42N85.3Confident82Confident78 Ų7858.6 Ų58.642%0.41728%0.282SS..  trans-89.4106.4168.7-173.5-20.6000109.8H39 N40 E44 A45 A46H39-N42 VanDerWaalsContact O-CB 3.28Å; H39-N42 WeakPolarHBondContact O-CB 3.48Å; H39-N42 PolarHBondContact O-N 2.85Å; N40-N42 PolarHBondContact O-N 2.85Å; N42-E44 PolarHBondContact OD1-N 3.12Å; N42-A45 HydrophobicContact CB-CB 4.04Å; N42-A45 PolarHBondContact OD1-N 3.01Å; N42-A46 WeakPolarHBondContact O-CB 3.46Å; N42-A46 PolarHBondContact O-N 3.37Å; N42-A46 VanDerWaalsContact O-N 3.09Å
43I85.8Confident81.3Confident25 Ų2561.1 Ų61.113%0.12829%0.293CS..Hα-helixtrans-64.6-44.1-177.2-61.4158.3000110.9K16 L23 L36 A45 A46 V47K16-I43 HydrophobicContact CB-CD1 3.79Å; K16-I43 HydrophobicContact CB-CG1 3.95Å; K16-I43 HydrophobicContact CD-CD1 4.21Å; K16-I43 HydrophobicContact CD-CG1 4.36Å; K16-I43 HydrophobicContact CG-CD1 3.57Å; K16-I43 HydrophobicContact CG-CG1 4.08Å; L23-I43 HydrophobicContact CD1-CG2 4.2Å; L36-I43 HydrophobicContact CD2-CG1 4.27Å; I43-A45 PolarHBondContact O-N 3.09Å; I43-A46 PolarHBondContact O-N 3.14Å; I43-V47 HydrophobicContact CG2-CG2 3.87Å; I43-V47 WeakPolarHBondContact O-CB 3.35Å; I43-V47 WeakPolarHBondContact O-CG2 3.44Å; I43-V47 PolarHBondContact O-N 3.4Å
44E82.8Confident80.3Confident163 Ų16363.1 Ų63.176%0.76231%0.305SS*.Hα-helixtrans-62.6-45.5-176.4-65.1177.4176.200111N42 V47 Q48N42-E44 PolarHBondContact OD1-N 3.12Å; E44-V47 PolarHBondContact O-N 3.5Å; E44-Q48 VanDerWaalsContact O-CB 3.24Å; E44-Q48 WeakPolarHBondContact O-CB 3.48Å; E44-Q48 PolarHBondContact O-N 2.65Å
45A80.2Confident79.2Confident36 Ų3657.1 Ų57.130%0.29828%0.284SS..Hα-helixtrans-63.3-43.8176.700000111.9N42 I43 Q48 D49N42-A45 HydrophobicContact CB-CB 4.04Å; N42-A45 PolarHBondContact OD1-N 3.01Å; I43-A45 PolarHBondContact O-N 3.09Å; A45-Q48 PolarHBondContact O-N 3.43Å; A45-D49 WeakPolarHBondContact O-CB 3.34Å; A45-D49 PolarHBondContact O-N 2.67Å
46A83.9Confident77.8Confident0 Ų056 Ų560%028%0.278CS..Hα-helixtrans-65.9-40.7178.600000112.5F20 T35 L36 H39 N42 I43 R50F20-A46 HydrophobicContact CD2-CB 4.04Å; F20-A46 HydrophobicContact CE2-CB 3.52Å; F20-A46 HydrophobicContact CZ-CB 4.23Å; T35-A46 HydrophobicContact CG2-CB 4.33Å; L36-A46 HydrophobicContact CD2-CB 4Å; H39-A46 HydrophobicContact CB-CB 3.95Å; N42-A46 WeakPolarHBondContact O-CB 3.46Å; N42-A46 PolarHBondContact O-N 3.37Å; N42-A46 VanDerWaalsContact O-N 3.09Å; I43-A46 PolarHBondContact O-N 3.14Å; A46-R50 WeakPolarHBondContact O-CB 3.47Å; A46-R50 PolarHBondContact O-N 2.99Å
47V82.9Confident76.6Confident23 Ų2358.9 Ų58.914%0.13930%0.295CS..Hα-helixtrans-67.5-45.2177.8170.50000109.5F20 L23 T24 I43 E44 D49 R50 L51F20-V47 HydrophobicContact CD2-CG2 3.61Å; F20-V47 HydrophobicContact CE2-CG2 3.8Å; L23-V47 HydrophobicContact CB-CG2 4.22Å; L23-V47 HydrophobicContact CD1-CG2 4.1Å; T24-V47 HydrophobicContact CG2-CG2 4.26Å; I43-V47 HydrophobicContact CG2-CG2 3.87Å; I43-V47 WeakPolarHBondContact O-CB 3.35Å; I43-V47 WeakPolarHBondContact O-CG2 3.44Å; I43-V47 PolarHBondContact O-N 3.4Å; E44-V47 PolarHBondContact O-N 3.5Å; V47-D49 PolarHBondContact O-N 2.98Å; V47-R50 PolarHBondContact O-N 3.26Å; V47-L51 HydrophobicContact CG1-CD1 3.76Å; V47-L51 HydrophobicContact CG1-CG 4.22Å; V47-L51 WeakPolarHBondContact O-CB 3.06Å; V47-L51 VanDerWaalsContact O-CG 3.26Å; V47-L51 WeakPolarHBondContact O-CG 3.38Å; V47-L51 PolarHBondContact O-N 3.27Å
48Q78.1Confident75.1Confident108 Ų10859 Ų5951%0.50530%0.303SS..Hα-helixtrans-61.6-44.6177.8-168.366.519.800111.6E44 A45 R50 L51 N52E44-Q48 VanDerWaalsContact O-CB 3.24Å; E44-Q48 WeakPolarHBondContact O-CB 3.48Å; E44-Q48 PolarHBondContact O-N 2.65Å; A45-Q48 PolarHBondContact O-N 3.43Å; Q48-R50 VanDerWaalsContact C-N 3.3Å; Q48-R50 PolarHBondContact O-N 3.47Å; Q48-L51 PolarHBondContact O-N 3.27Å; Q48-N52 VanDerWaalsContact O-CB 3.24Å; Q48-N52 WeakPolarHBondContact O-CB 3.27Å; Q48-N52 PolarHBondContact O-N 3.08Å; Q48-N52 PolarHBondContact O-ND2 3.44Å; Q48-N52 PolarHBondContact O-OD1 2.92Å
49D77.9Confident73.8Confident14 Ų1455 Ų558%0.07529%0.286CS..Hα-helixtrans-63.2-38.4176.8-161.241.5000111.2H39 A45 V47 N52 E53 S59H39-D49 IonicContact CE1-OD2 3.13Å; H39-D49 PolarHBondContact CE1-OD2 3.42Å; H39-D49 IonicContact NE2-OD2 2.64Å; H39-D49 PolarHBondContact NE2-OD2 2.79Å; A45-D49 WeakPolarHBondContact O-CB 3.34Å; A45-D49 PolarHBondContact O-N 2.67Å; V47-D49 PolarHBondContact O-N 2.98Å; D49-N52 WeakPolarHBondContact O-CB 3.26Å; D49-N52 PolarHBondContact O-N 3.16Å; D49-E53 WeakPolarHBondContact O-CG 3.33Å; D49-E53 PolarHBondContact O-N 3.32Å; D49-S59 VanDerWaalsContact OD1-CA 3.3Å; D49-S59 WeakPolarHBondContact OD1-CA 3.49Å; D49-S59 VanDerWaalsContact OD1-CB 3.32Å; D49-S59 WeakPolarHBondContact OD1-CB 3.42Å; D49-S59 PolarHBondContact OD1-OG 2.66Å; D49-S59 WeakPolarHBondContact OD2-CB 3.36Å; D49-S59 PolarHBondContact OD2-OG 3.46Å
50R78.8Confident72.5Confident65 Ų6560.4 Ų60.425%0.24532%0.32CS..Hα-helixtrans-69-41.2177.3-172.555.1173.8179.6-1.5113.1T24 A46 V47 Q48 N52 E53 Q54T24-R50 HydrophobicContact CG2-CB 4.31Å; T24-R50 HydrophobicContact CG2-CG 4.06Å; A46-R50 WeakPolarHBondContact O-CB 3.47Å; A46-R50 PolarHBondContact O-N 2.99Å; V47-R50 PolarHBondContact O-N 3.26Å; Q48-R50 VanDerWaalsContact C-N 3.3Å; Q48-R50 PolarHBondContact O-N 3.47Å; R50-N52 VanDerWaalsContact C-N 3.35Å; R50-E53 IonicContact CZ-OE2 3.4Å; R50-E53 IonicContact NH1-OE2 3.5Å; R50-E53 PolarHBondContact NH1-OE2 3.1Å; R50-E53 PolarHBondContact O-N 2.8Å; R50-Q54 WeakPolarHBondContact O-CG 3.24Å; R50-Q54 PolarHBondContact O-N 2.86Å
51L72.8Confident71Confident63 Ų6359.7 Ų59.733%0.3331%0.31SS..Hα-helixtrans-65.5-41.2174.7-69.2173.2000110.5V47 Q48 E53 Q54 E55V47-L51 HydrophobicContact CG1-CD1 3.76Å; V47-L51 HydrophobicContact CG1-CG 4.22Å; V47-L51 WeakPolarHBondContact O-CB 3.06Å; V47-L51 VanDerWaalsContact O-CG 3.26Å; V47-L51 WeakPolarHBondContact O-CG 3.38Å; V47-L51 PolarHBondContact O-N 3.27Å; Q48-L51 PolarHBondContact O-N 3.27Å; L51-E53 PolarHBondContact O-N 3.23Å; L51-Q54 WeakPolarHBondContact O-CB 3.31Å; L51-Q54 PolarHBondContact O-N 3.35Å; L51-E55 WeakPolarHBondContact O-CB 3.34Å; L51-E55 WeakPolarHBondContact O-CG 3.37Å; L51-E55 PolarHBondContact O-N 2.91Å
52N70.4Confident69.4Low46 Ų4661.5 Ų61.525%0.24632%0.322CS..Hα-helixtrans-59.1-45173-73.5-11.2000111.9Q48 D49 R50 Q54 E55 G56 V57Q48-N52 VanDerWaalsContact O-CB 3.24Å; Q48-N52 WeakPolarHBondContact O-CB 3.27Å; Q48-N52 PolarHBondContact O-N 3.08Å; Q48-N52 PolarHBondContact O-ND2 3.44Å; Q48-N52 PolarHBondContact O-OD1 2.92Å; D49-N52 WeakPolarHBondContact O-CB 3.26Å; D49-N52 PolarHBondContact O-N 3.16Å; R50-N52 VanDerWaalsContact C-N 3.35Å; N52-Q54 VanDerWaalsContact C-N 3.33Å; N52-Q54 PolarHBondContact O-N 2.93Å; N52-E55 CarbonylContact O-C 3.6Å; N52-E55 PolarHBondContact O-N 2.7Å; N52-E55 VanDerWaalsContact O-N 3.12Å; N52-G56 PolarHBondContact O-N 3.22Å; N52-V57 CarbonylContact C-O 3.59Å; N52-V57 HydrophobicContact CB-CB 4.09Å; N52-V57 PolarHBondContact O-N 3.45Å
53E67.9Low67.5Low52 Ų5262.7 Ų62.724%0.24333%0.334CS..Hα-helixtrans-61-39.9174.5-79.4-173.6162.800112.2D49 R50 L51 E55 G56 N62 K167D49-E53 WeakPolarHBondContact O-CG 3.33Å; D49-E53 PolarHBondContact O-N 3.32Å; R50-E53 IonicContact CZ-OE2 3.4Å; R50-E53 IonicContact NH1-OE2 3.5Å; R50-E53 PolarHBondContact NH1-OE2 3.1Å; R50-E53 PolarHBondContact O-N 2.8Å; L51-E53 PolarHBondContact O-N 3.23Å; E53-E55 VanDerWaalsContact C-N 3.3Å; E53-G56 PolarHBondContact O-N 3.03Å; E53-N62 PolarHBondContact OE1-ND2 3.42Å; E53-K167 PolarHBondContact O-NZ 3.49Å
54Q63.4Low65.6Low82 Ų8266.6 Ų66.638%0.38336%0.361SS..Hα-helixtrans-63.8-38.1174-73.5-177.8-0.300111.3R50 L51 N52 G56 K167R50-Q54 WeakPolarHBondContact O-CG 3.24Å; R50-Q54 PolarHBondContact O-N 2.86Å; L51-Q54 WeakPolarHBondContact O-CB 3.31Å; L51-Q54 PolarHBondContact O-N 3.35Å; N52-Q54 VanDerWaalsContact C-N 3.33Å; N52-Q54 PolarHBondContact O-N 2.93Å; Q54-G56 VanDerWaalsContact C-N 3.26Å; Q54-G56 PolarHBondContact O-N 2.96Å; Q54-K167 VanDerWaalsContact O-CE 3.27Å; Q54-K167 WeakPolarHBondContact O-CE 3.4Å; Q54-K167 PolarHBondContact O-NZ 2.95Å
55E59Low63.9Low40 Ų4062.1 Ų62.119%0.18735%0.346CS..Hα-helixtrans-77.6-5.4178.6-73.6-169.6-172.900115.1L51 N52 E53 R280L51-E55 WeakPolarHBondContact O-CB 3.34Å; L51-E55 WeakPolarHBondContact O-CG 3.37Å; L51-E55 PolarHBondContact O-N 2.91Å; N52-E55 CarbonylContact O-C 3.6Å; N52-E55 PolarHBondContact O-N 2.7Å; N52-E55 VanDerWaalsContact O-N 3.12Å; E53-E55 VanDerWaalsContact C-N 3.3Å; E55-R280 PolarHBondContact O-NH1 3.19Å; E55-R280 VanDerWaalsContact O-NH1 3.11Å; E55-R280 PolarHBondContact O-NH2 2.82Å; E55-R280 IonicContact OE2-NH2 3.67Å
56G54.2Low62.3Low4 Ų466.2 Ų66.24%0.04137%0.373CS..THydrogen-bonded Turntrans87.512.9177.300000114.3N52 E53 Q54N52-G56 PolarHBondContact O-N 3.22Å; E53-G56 PolarHBondContact O-N 3.03Å; Q54-G56 VanDerWaalsContact C-N 3.26Å; Q54-G56 PolarHBondContact O-N 2.96Å
57V60Low60.5Low61 Ų6175.8 Ų75.837%0.3741%0.409SS..PPolyproline II helixtrans-84.5127.5171.6-176.90000107.9N52 S59N52-V57 CarbonylContact C-O 3.59Å; N52-V57 HydrophobicContact CB-CB 4.09Å; N52-V57 PolarHBondContact O-N 3.45Å; V57-S59 PolarHBondContact O-N 3.39Å
58P55.9Low58.9Low88 Ų8876 Ų7657%0.57141%0.411SS*.PPolyproline II helixtrans-62.8131.617824.9-31.9000110V60P58-V60 PolarHBondContact O-N 3.02Å
59S55.3Low57.6Low13 Ų1373.9 Ų73.99%0.09140%0.403CS..PPolyproline II helixtrans-57130.6171.9158.20000109.7D49 V57 F61 N62D49-S59 VanDerWaalsContact OD1-CA 3.3Å; D49-S59 WeakPolarHBondContact OD1-CA 3.49Å; D49-S59 VanDerWaalsContact OD1-CB 3.32Å; D49-S59 WeakPolarHBondContact OD1-CB 3.42Å; D49-S59 PolarHBondContact OD1-OG 2.66Å; D49-S59 WeakPolarHBondContact OD2-CB 3.36Å; D49-S59 PolarHBondContact OD2-OG 3.46Å; V57-S59 PolarHBondContact O-N 3.39Å; S59-F61 PolarHBondContact O-N 3.18Å; S59-F61 PolarHBondContact OG-N 2.95Å; S59-N62 PolarHBondContact OG-N 3.29Å; S59-N62 VanDerWaalsContact OG-N 3.1Å
60V56.9Low56.5Low128 Ų12881.1 Ų81.178%0.77644%0.436SS*.SBendtrans-67.6-22.5178.5177.20000111P58P58-V60 PolarHBondContact O-N 3.02Å
61F52.7Low55.4Low131 Ų13178.4 Ų78.458%0.57543%0.426SS*.SBendtrans-102.1-13.8-172.7-64.5-84.1000113.6H39 S59H39-F61 AromaticContact CE1-CD2 3.49Å; H39-F61 VanDerWaalsContact CE1-CD2 3.49Å; H39-F61 WeakPolarHBondContact CE1-CD2 3.24Å; H39-F61 AromaticContact CE1-CE2 3.95Å; S59-F61 PolarHBondContact O-N 3.18Å; S59-F61 PolarHBondContact OG-N 2.95Å
62N52.3Low54.6Low71 Ų7179 Ų7938%0.3843%0.43SS..  trans-98.4115.2174.7-96.8-26.6000111.6E53 S59E53-N62 PolarHBondContact OE1-ND2 3.42Å; S59-N62 PolarHBondContact OG-N 3.29Å; S59-N62 VanDerWaalsContact OG-N 3.1Å
63P45.8Very low54Low103 Ų10379 Ų7967%0.66943%0.432SS*.PPolyproline II helixtrans-60.8147.1162.726.2-31.4000109.4
64P46.6Very low53Low107 Ų10780.2 Ų80.270%0.69545%0.451SS*.PPolyproline II helixtrans-55.2135.3177.822.8-32.3000109.3S66P64-S66 PolarHBondContact O-N 3.13Å
65P47.2Very low52.1Low70 Ų7083.2 Ų83.246%0.45547%0.47SS..PPolyproline II helixtrans-57.9138.2-175.722.8-32.8000110.2R67 L69P65-R67 CarbonylContact C-O 3.59Å; P65-R67 WeakPolarHBondContact CB-O 3.2Å; P65-R67 PolarHBondContact O-N 2.84Å; P65-R67 VanDerWaalsContact O-N 3.17Å; P65-L69 HydrophobicContact CG-CD2 4.3Å
66S46.5Very low51.7Low122 Ų12285.1 Ų85.185%0.85348%0.478SS*.SBendtrans-64.7-16.2175.115.60000112.3P64P64-S66 PolarHBondContact O-N 3.13Å
67R45.2Very low51.8Low200 Ų20095.5 Ų95.576%0.75552%0.516SS*.SBendtrans-97.7138.9170-64.7-179.4-179.1-174.5-0.2109.3P65P65-R67 CarbonylContact C-O 3.59Å; P65-R67 WeakPolarHBondContact CB-O 3.2Å; P65-R67 PolarHBondContact O-N 2.84Å; P65-R67 VanDerWaalsContact O-N 3.17Å
68P49.7Very low52.1Low28 Ų2894.3 Ų94.318%0.18251%0.509CS..  trans-56.7144.8177.325.5-33.1000110Q70 R220 A224P68-Q70 PolarHBondContact O-N 3.39Å; P68-R220 HydrophobicContact CB-CG 4.09Å; P68-R220 HydrophobicContact CG-CG 3.9Å; P68-A224 HydrophobicContact CB-CB 4.28Å; P68-A224 HydrophobicContact CG-CB 4.02Å
69L51.9Low52.9Low64 Ų6493.3 Ų93.334%0.33549%0.494SS..  trans-53.3107.9168.8-73.1168.8000107.6P65 V71 L163P65-L69 HydrophobicContact CG-CD2 4.3Å; L69-V71 PolarHBondContact O-N 3.03Å; L69-V71 VanDerWaalsContact O-N 3.12Å; L69-L163 HydrophobicContact CB-CD1 3.92Å; L69-L163 HydrophobicContact CD1-CB 4.49Å; L69-L163 HydrophobicContact CD1-CD1 4.1Å
70Q53.5Low53.7Low165 Ų16596.9 Ų96.977%0.77152%0.519SS*.  trans-71.8109.8-179.8-76.4-172.2-18.800107.8P68P68-Q70 PolarHBondContact O-N 3.39Å
71V56.6Low54.3Low8 Ų894.4 Ų94.45%0.04850%0.496CS..  trans-70.9131.6169.5-176.30000107L69 T73 Y159 L163 I236 M243 V245L69-V71 PolarHBondContact O-N 3.03Å; L69-V71 VanDerWaalsContact O-N 3.12Å; V71-T73 PolarHBondContact O-N 3.06Å; V71-T73 VanDerWaalsContact O-N 3.11Å; V71-Y159 WeakPolarHBondContact CG2-OH 3.41Å; V71-L163 HydrophobicContact CG2-CD1 4.34Å; V71-L163 HydrophobicContact CG2-CD2 4.34Å; V71-I236 HydrophobicContact CG1-CG2 4.12Å; V71-I236 HydrophobicContact CG2-CD1 4.25Å; V71-M243 WeakPolarHBondContact CG1-O 3.29Å; V71-V245 HydrophobicContact CB-CG2 4.17Å; V71-V245 HydrophobicContact CG1-CB 4.35Å; V71-V245 HydrophobicContact CG1-CG2 3.43Å; V71-V245 VanDerWaalsContact CG1-CG2 3.43Å; V71-V245 VanDerWaalsContact CG1-N 3.3Å
72N55.6Low55.2Low77 Ų7793.6 Ų93.641%0.41250%0.497SS..BIsolated β-bridgetrans-66116.8178.1-78.1-72.3000108.9T244N72-T244 HydrophobicContact CB-CG2 4.39Å
73T57.5Low55.8Low45 Ų4592.3 Ų92.328%0.27649%0.491SS..  trans-106-3179.3510000112.7V71 V245V71-T73 PolarHBondContact O-N 3.06Å; V71-T73 VanDerWaalsContact O-N 3.11Å; T73-V245 HydrophobicContact CG2-CG2 4.12Å
74A48.1Very low56.4Low78 Ų7892.5 Ų92.565%0.64550%0.495SS*.SBendtrans-98.5-11.8-156.900000117.4
75D43.9Very low57.1Low145 Ų14595.5 Ų95.578%0.77549%0.493SS*.SBendtrans-148.517.8-166.5-95.5-37.1000117.4
76H51.3Low57.6Low80 Ų8098.4 Ų98.437%0.3751%0.511SS..SBendtrans-127156.9-178.1-63.590.7000111.6V78H76-V78 WeakPolarHBondContact O-CG2 3.45Å; H76-V78 PolarHBondContact O-N 3.36Å
77R56.1Low58.3Low222 Ų22299.6 Ų99.684%0.83850%0.503SS*.  trans-61.581173.2-68.2-179179.3173.6-0.2109.5Y79R77-Y79 PolarHBondContact O-N 3.02Å
78V66.3Low59.4Low35 Ų3591.5 Ų91.521%0.21248%0.477CS..  trans-75.3116.2172.5-177.90000106.5H76 S80 V245 R248H76-V78 WeakPolarHBondContact O-CG2 3.45Å; H76-V78 PolarHBondContact O-N 3.36Å; V78-S80 PolarHBondContact O-N 3.26Å; V78-S80 VanDerWaalsContact O-N 3.12Å; V78-V245 HydrophobicContact CG1-CG1 4.45Å; V78-R248 HydrophobicContact CG1-CB 4.13Å; V78-R248 HydrophobicContact CG1-CG 3.69Å
79Y71.4Confident60.2Low67 Ų67101.5 Ų101.526%0.26351%0.511SS..EExtended strand (participates in β ladder)trans-71.8106.7172.2-64.1-75.4000108.1R77 V246 R248 Y264 I265 A268R77-Y79 PolarHBondContact O-N 3.02Å; Y79-V246 PolarHBondContact N-O 2.94Å; Y79-R248 PolarHBondContact O-N 3.38Å; Y79-R248 VanDerWaalsContact O-O 3.14Å; Y79-Y264 HydrophobicContact CD1-CD1 4.49Å; Y79-Y264 AromaticContact CD1-CE1 3.72Å; Y79-Y264 HydrophobicContact CD1-CE1 3.72Å; Y79-Y264 AromaticContact CE1-CE1 3.5Å; Y79-Y264 HydrophobicContact CE1-CE1 3.5Å; Y79-Y264 HydrophobicContact CG-CE1 4.35Å; Y79-Y264 AromaticContact CZ-CE1 3.96Å; Y79-I265 HydrophobicContact CD2-CB 4.44Å; Y79-I265 HydrophobicContact CD2-CG1 3.89Å; Y79-I265 HydrophobicContact CD2-CG2 4.23Å; Y79-I265 HydrophobicContact CG-CG1 4.04Å; Y79-A268 HydrophobicContact CE2-CB 4.03Å
80S71.7Confident61.4Low88 Ų88101 Ų10162%0.61552%0.521SS*.EExtended strand (participates in β ladder)trans-101.2119.1174.859.60000110.5V78 R248V78-S80 PolarHBondContact O-N 3.26Å; V78-S80 VanDerWaalsContact O-N 3.12Å; S80-R248 VanDerWaalsContact CA-O 3.3Å; S80-R248 WeakPolarHBondContact CA-O 3.47Å
81Y71.4Confident62.4Low77 Ų77100.8 Ų100.830%0.30252%0.524SS..EExtended strand (participates in β ladder)trans-109.1115.1171.6-169.7-105.1000109.1V83 R248 L249 E250 I253 Q261Y81-V83 HydrophobicContact CD1-CG2 3.88Å; Y81-V83 HydrophobicContact CE1-CG2 3.63Å; Y81-R248 PolarHBondContact N-O 3.42Å; Y81-L249 HydrophobicContact CG-CD2 4.44Å; Y81-E250 PolarHBondContact O-N 2.98Å; Y81-I253 HydrophobicContact CD1-CD1 3.8Å; Y81-I253 HydrophobicContact CE1-CD1 3.7Å; Y81-I253 HydrophobicContact CE1-CG1 4.21Å; Y81-Q261 HydrophobicContact CD2-CG 4.46Å; Y81-Q261 HydrophobicContact CG-CG 4.38Å
82I70.3Confident63.5Low113 Ų113108 Ų10858%0.57956%0.562SS**EExtended strand (participates in β ladder)trans-108.6117.1176.8-58.4171.3000107S84 E250I82-S84 PolarHBondContact O-N 3.3Å; I82-E250 HydrophobicContact CG1-CB 4.44Å
83V66.1Low64.5Low44 Ų44105.5 Ų105.527%0.26755%0.554SS.*PPolyproline II helixtrans-73124.8-178-168.10000110.8Y81 E250 V252 I253Y81-V83 HydrophobicContact CD1-CG2 3.88Å; Y81-V83 HydrophobicContact CE1-CG2 3.63Å; V83-E250 PolarHBondContact N-O 3.12Å; V83-V252 WeakPolarHBondContact CB-O 3.41Å; V83-V252 WeakPolarHBondContact CG1-O 3.49Å; V83-V252 VanDerWaalsContact CG2-O 3.22Å; V83-V252 WeakPolarHBondContact CG2-O 3.16Å; V83-I253 HydrophobicContact CG2-CB 4.14Å
84S56.7Low65.6Low107 Ų107108.7 Ų108.775%0.74856%0.561SS**PPolyproline II helixtrans-73.5125.2174.3-65.70000110.1I82I82-S84 PolarHBondContact O-N 3.3Å
85R61.6Low67.2Low170 Ų170106.4 Ų106.464%0.64255%0.545SS*.PPolyproline II helixtrans-58137.9176.9-69.3-179.1176.7178.9-1.3110.4Q87R85-Q87 PolarHBondContact O-N 3.01Å
86P58.6Low68.9Low131 Ų131106.9 Ų106.985%0.85154%0.537SS*.  trans-59.3114.417621.8-29.9000109.2
87Q61.2Low70.2Confident147 Ų147107.8 Ų107.869%0.68754%0.538SS*.PPolyproline II helixtrans-66.4140.6175.7-74.6-177-11.900109.4R85 R89R85-Q87 PolarHBondContact O-N 3.01Å; Q87-R89 PolarHBondContact O-N 2.96Å
88P66.9Low71.4Confident31 Ų31102.5 Ų102.520%0.20153%0.526CS..PPolyproline II helixtrans-55.9125.5175.120.4-29.1000109.8G93 W94 Y97P88-G93 VanDerWaalsContact CB-C 3.49Å; P88-W94 HydrophobicContact CG-CD2 3.72Å; P88-W94 HydrophobicContact CG-CE3 4.01Å; P88-W94 HydrophobicContact CG-CG 4.11Å; P88-W94 HydrophobicContact CG-CH2 4.37Å; P88-W94 HydrophobicContact CG-CZ2 4.1Å; P88-W94 HydrophobicContact CG-CZ3 4.33Å; P88-W94 PolarHBondContact O-NE1 3.04Å; P88-Y97 HydrophobicContact CG-CD1 4.42Å; P88-Y97 HydrophobicContact CG-CG 4.15Å
89R67.6Low72.2Confident238 Ų238106.2 Ų106.290%0.89854%0.543SS*.PPolyproline II helixtrans-88.2128.9179.3-71.3-177.1168.2157.9-2.6109.9Q87Q87-R89 PolarHBondContact O-N 2.96Å
90G76.4Confident72.6Confident52 Ų52106.8 Ų106.854%0.53655%0.55SS..Hα-helixtrans79.6162.9177.200000115L92 G93 W94G90-L92 VanDerWaalsContact C-N 3.3Å; G90-L92 PolarHBondContact O-N 3.35Å; G90-G93 PolarHBondContact O-N 3.05Å; G90-W94 PolarHBondContact O-N 3Å; G90-W94 VanDerWaalsContact O-N 3.1Å
91L75.9Confident73.1Confident162 Ų162105.9 Ų105.985%0.84854%0.538SS*.Hα-helixtrans-61.9-34.3-175.5-70.4169.2000113.3W94 G95L91-W94 PolarHBondContact O-N 3.08Å; L91-G95 PolarHBondContact O-N 2.75Å
92L78.3Confident73.4Confident159 Ų159105.4 Ų105.483%0.83254%0.544SS*.Hα-helixtrans-66.8-40.6175.6-90.3153.9000112.4G90 G95 Y96G90-L92 VanDerWaalsContact C-N 3.3Å; G90-L92 PolarHBondContact O-N 3.35Å; L92-G95 PolarHBondContact O-N 3.46Å; L92-Y96 WeakPolarHBondContact O-CB 3.46Å; L92-Y96 PolarHBondContact O-N 3.38Å
93G76.3Confident73.7Confident25 Ų25106.6 Ų106.626%0.25855%0.545SS..Hα-helixtrans-65.3-42.7175.500000111.8P88 G90 Y97P88-G93 VanDerWaalsContact CB-C 3.49Å; G90-G93 PolarHBondContact O-N 3.05Å; G93-Y97 WeakPolarHBondContact O-CB 3.25Å; G93-Y97 PolarHBondContact O-N 2.97Å
94W80.6Confident74Confident111 Ų111110.4 Ų110.442%0.4256%0.555SS.*Hα-helixtrans-65.2-40.6174.5-82.599.8000112.5P88 G90 L91 Y97 L98P88-W94 HydrophobicContact CG-CD2 3.72Å; P88-W94 HydrophobicContact CG-CE3 4.01Å; P88-W94 HydrophobicContact CG-CG 4.11Å; P88-W94 HydrophobicContact CG-CH2 4.37Å; P88-W94 HydrophobicContact CG-CZ2 4.1Å; P88-W94 HydrophobicContact CG-CZ3 4.33Å; P88-W94 PolarHBondContact O-NE1 3.04Å; G90-W94 PolarHBondContact O-N 3Å; G90-W94 VanDerWaalsContact O-N 3.1Å; L91-W94 PolarHBondContact O-N 3.08Å; W94-Y97 PolarHBondContact O-N 3.2Å; W94-L98 WeakPolarHBondContact O-CB 3.39Å; W94-L98 WeakPolarHBondContact O-CG 3.44Å; W94-L98 PolarHBondContact O-N 3.34Å
95G81.6Confident74.9Confident30 Ų30109 Ų10931%0.30954%0.541SS..Hα-helixtrans-62.4-49.3176.300000112.4L91 L92 Y97 L98 I99L91-G95 PolarHBondContact O-N 2.75Å; L92-G95 PolarHBondContact O-N 3.46Å; G95-Y97 PolarHBondContact O-N 3.03Å; G95-L98 PolarHBondContact O-N 3.42Å; G95-I99 WeakPolarHBondContact O-CD1 3.27Å; G95-I99 VanDerWaalsContact O-CG1 3.24Å; G95-I99 WeakPolarHBondContact O-CG1 3.39Å; G95-I99 PolarHBondContact O-N 3.5Å
96Y80.4Confident75.5Confident155 Ų155104.3 Ų104.361%0.60853%0.532SS*.Hα-helixtrans-61.4-43.7175.6179.6-101.1000111.9L92 I99 M100L92-Y96 WeakPolarHBondContact O-CB 3.46Å; L92-Y96 PolarHBondContact O-N 3.38Å; Y96-I99 PolarHBondContact O-N 3.09Å; Y96-M100 HydrophobicContact CD1-CG 4.46Å; Y96-M100 HydrophobicContact CD2-CG 4.19Å; Y96-M100 HydrophobicContact CE1-CG 4.04Å; Y96-M100 HydrophobicContact CE2-CE 3.8Å; Y96-M100 HydrophobicContact CE2-CG 3.73Å; Y96-M100 WeakPolarHBondContact O-CB 3.23Å; Y96-M100 PolarHBondContact O-N 3.46Å
97Y78.9Confident76.5Confident100 Ų100104.9 Ų104.939%0.39252%0.518SS..Hα-helixtrans-61-47.7178.5-174.6-101000111.6P88 G93 W94 G95 I99 M100 L101P88-Y97 HydrophobicContact CG-CD1 4.42Å; P88-Y97 HydrophobicContact CG-CG 4.15Å; G93-Y97 WeakPolarHBondContact O-CB 3.25Å; G93-Y97 PolarHBondContact O-N 2.97Å; W94-Y97 PolarHBondContact O-N 3.2Å; G95-Y97 PolarHBondContact O-N 3.03Å; Y97-I99 VanDerWaalsContact C-N 3.34Å; Y97-I99 PolarHBondContact O-N 2.89Å; Y97-M100 PolarHBondContact O-N 3.39Å; Y97-L101 HydrophobicContact CD1-CD1 4.21Å; Y97-L101 HydrophobicContact CE1-CD1 3.6Å; Y97-L101 VanDerWaalsContact O-CB 3.23Å; Y97-L101 WeakPolarHBondContact O-CB 3.26Å; Y97-L101 PolarHBondContact O-N 3.37Å
98L81.2Confident77Confident110 Ų110102.8 Ų102.858%0.57650%0.504SS*.Hα-helixtrans-63.6-38178.9-79169.1000112.9W94 G95 P102W94-L98 WeakPolarHBondContact O-CB 3.39Å; W94-L98 WeakPolarHBondContact O-CG 3.44Å; W94-L98 PolarHBondContact O-N 3.34Å; G95-L98 PolarHBondContact O-N 3.42Å; L98-P102 VanDerWaalsContact O-CD 3.25Å; L98-P102 WeakPolarHBondContact O-CD 3.31Å
99I83.4Confident77.4Confident113 Ų113104.3 Ų104.358%0.57951%0.513SS*.Hα-helixtrans-69.1-42.9177.6-68.3166.5000110.8G95 Y96 Y97 P102 F103G95-I99 WeakPolarHBondContact O-CD1 3.27Å; G95-I99 VanDerWaalsContact O-CG1 3.24Å; G95-I99 WeakPolarHBondContact O-CG1 3.39Å; G95-I99 PolarHBondContact O-N 3.5Å; Y96-I99 PolarHBondContact O-N 3.09Å; Y97-I99 VanDerWaalsContact C-N 3.34Å; Y97-I99 PolarHBondContact O-N 2.89Å; I99-P102 WeakPolarHBondContact O-CD 3.36Å; I99-P102 WeakPolarHBondContact O-CG 3.47Å; I99-F103 VanDerWaalsContact O-CD2 3.31Å; I99-F103 WeakPolarHBondContact O-CD2 3.3Å
100M80.1Confident77.8Confident80 Ų8098.5 Ų98.539%0.39450%0.499SS..Hα-helixtrans-81.7-17.4-178-74.7-65.6-178.200113.8Y96 Y97 F103 R104Y96-M100 HydrophobicContact CD1-CG 4.46Å; Y96-M100 HydrophobicContact CD2-CG 4.19Å; Y96-M100 HydrophobicContact CE1-CG 4.04Å; Y96-M100 HydrophobicContact CE2-CE 3.8Å; Y96-M100 HydrophobicContact CE2-CG 3.73Å; Y96-M100 WeakPolarHBondContact O-CB 3.23Å; Y96-M100 PolarHBondContact O-N 3.46Å; Y97-M100 PolarHBondContact O-N 3.39Å; M100-F103 PolarHBondContact O-N 3.49Å; M100-R104 VanDerWaalsContact O-CB 3.3Å; M100-R104 WeakPolarHBondContact O-CB 3.49Å; M100-R104 PolarHBondContact O-N 3.37Å
101L80.9Confident77.5Confident69 Ų6998.6 Ų98.636%0.36149%0.487SS..Hα-helixtrans-54.6-51.9179.8-168.2150.3000113.2Y97 F103 R104 V105Y97-L101 HydrophobicContact CD1-CD1 4.21Å; Y97-L101 HydrophobicContact CE1-CD1 3.6Å; Y97-L101 VanDerWaalsContact O-CB 3.23Å; Y97-L101 WeakPolarHBondContact O-CB 3.26Å; Y97-L101 PolarHBondContact O-N 3.37Å; L101-F103 VanDerWaalsContact C-N 3.32Å; L101-F103 PolarHBondContact O-N 2.94Å; L101-R104 PolarHBondContact O-N 3.33Å; L101-V105 HydrophobicContact CD2-CG2 3.98Å; L101-V105 HydrophobicContact CG-CG2 4.33Å; L101-V105 VanDerWaalsContact O-CB 3.32Å; L101-V105 WeakPolarHBondContact O-CB 3.5Å; L101-V105 WeakPolarHBondContact O-CG2 3.47Å; L101-V105 PolarHBondContact O-N 3.02Å
102P77.6Confident77.2Confident67 Ų6795 Ų9544%0.43547%0.469SS..Hα-helixtrans-63-36.7178.823.6-33.9000112.5L98 I99 T106L98-P102 VanDerWaalsContact O-CD 3.25Å; L98-P102 WeakPolarHBondContact O-CD 3.31Å; I99-P102 WeakPolarHBondContact O-CD 3.36Å; I99-P102 WeakPolarHBondContact O-CG 3.47Å; P102-T106 VanDerWaalsContact O-CB 3.29Å; P102-T106 WeakPolarHBondContact O-CB 3.15Å; P102-T106 WeakPolarHBondContact O-CG2 3.38Å; P102-T106 PolarHBondContact O-N 2.68Å; P102-T106 PolarHBondContact O-OG1 3.49Å
103F77.5Confident77.1Confident138 Ų13892.5 Ų92.561%0.60546%0.455SS*.Hα-helixtrans-70.4-40.8177.8-66.5-82.2000112.2I99 M100 L101 T106 Y107I99-F103 VanDerWaalsContact O-CD2 3.31Å; I99-F103 WeakPolarHBondContact O-CD2 3.3Å; M100-F103 PolarHBondContact O-N 3.49Å; L101-F103 VanDerWaalsContact C-N 3.32Å; L101-F103 PolarHBondContact O-N 2.94Å; F103-T106 WeakPolarHBondContact CA-OG1 3.47Å; F103-T106 PolarHBondContact O-OG1 3.1Å; F103-T106 VanDerWaalsContact O-OG1 3.13Å; F103-Y107 WeakPolarHBondContact O-CB 3.49Å; F103-Y107 PolarHBondContact O-N 2.92Å
104R72.7Confident77.1Confident124 Ų12497.7 Ų97.747%0.46847%0.471SS..Hα-helixtrans-67.8-47.3178.6-166.1175.4178.9164.10.2110.5M100 L101 Y107 Y108M100-R104 VanDerWaalsContact O-CB 3.3Å; M100-R104 WeakPolarHBondContact O-CB 3.49Å; M100-R104 PolarHBondContact O-N 3.37Å; L101-R104 PolarHBondContact O-N 3.33Å; R104-Y107 PolarHBondContact O-N 2.94Å; R104-Y108 HydrophobicContact CG-CD2 3.7Å; R104-Y108 HydrophobicContact CG-CE2 3.53Å; R104-Y108 WeakPolarHBondContact O-CD2 3.45Å; R104-Y108 PolarHBondContact O-N 2.82Å; R104-Y108 VanDerWaalsContact O-N 3.11Å
105V74.9Confident76.6Confident77 Ų7797.4 Ų97.447%0.46747%0.47SS..Hα-helixtrans-61.6-49.5177.7171.90000110.6L101 T109L101-V105 HydrophobicContact CD2-CG2 3.98Å; L101-V105 HydrophobicContact CG-CG2 4.33Å; L101-V105 VanDerWaalsContact O-CB 3.32Å; L101-V105 WeakPolarHBondContact O-CB 3.5Å; L101-V105 WeakPolarHBondContact O-CG2 3.47Å; L101-V105 PolarHBondContact O-N 3.02Å; V105-T109 HydrophobicContact CG1-CG2 4.04Å; V105-T109 VanDerWaalsContact O-CB 3.23Å; V105-T109 WeakPolarHBondContact O-CB 3.39Å; V105-T109 WeakPolarHBondContact O-CG2 3.46Å; V105-T109 PolarHBondContact O-N 2.97Å; V105-T109 PolarHBondContact O-OG1 2.9Å
106T75.4Confident76Confident71 Ų71101.5 Ų101.544%0.43648%0.484SS..Hα-helixtrans-63.8-41.317952.10000112.9P102 F103 T109 L110P102-T106 VanDerWaalsContact O-CB 3.29Å; P102-T106 WeakPolarHBondContact O-CB 3.15Å; P102-T106 WeakPolarHBondContact O-CG2 3.38Å; P102-T106 PolarHBondContact O-N 2.68Å; P102-T106 PolarHBondContact O-OG1 3.49Å; F103-T106 WeakPolarHBondContact CA-OG1 3.47Å; F103-T106 PolarHBondContact O-OG1 3.1Å; F103-T106 VanDerWaalsContact O-OG1 3.13Å; T106-T109 WeakPolarHBondContact CA-OG1 3.32Å; T106-T109 PolarHBondContact O-OG1 3.4Å; T106-L110 WeakPolarHBondContact O-CB 3.45Å; T106-L110 WeakPolarHBondContact O-CD1 3.42Å; T106-L110 WeakPolarHBondContact O-CG 3.33Å; T106-L110 PolarHBondContact O-N 3.3Å
107Y77.7Confident75.6Confident143 Ų14396.3 Ų96.356%0.56147%0.473SS*.Hα-helixtrans-62.1-49.6178.6-178.6-102.9000112.8F103 R104 L111F103-Y107 WeakPolarHBondContact O-CB 3.49Å; F103-Y107 PolarHBondContact O-N 2.92Å; R104-Y107 PolarHBondContact O-N 2.94Å; Y107-L111 HydrophobicContact CD1-CD1 4.02Å; Y107-L111 HydrophobicContact CE1-CD1 3.52Å; Y107-L111 HydrophobicContact CE2-CD1 4.22Å; Y107-L111 WeakPolarHBondContact O-CG 3.34Å; Y107-L111 PolarHBondContact O-N 3.01Å; Y107-L111 VanDerWaalsContact O-N 3.16Å
108Y72.4Confident75.2Confident104 Ų10495.8 Ų95.841%0.40848%0.477SS..Hα-helixtrans-71.8-41.2179.6-71.9-64.4000112.1R104 L110 L111 D112R104-Y108 HydrophobicContact CG-CD2 3.7Å; R104-Y108 HydrophobicContact CG-CE2 3.53Å; R104-Y108 WeakPolarHBondContact O-CD2 3.45Å; R104-Y108 PolarHBondContact O-N 2.82Å; R104-Y108 VanDerWaalsContact O-N 3.11Å; Y108-L110 PolarHBondContact O-N 3.31Å; Y108-L111 PolarHBondContact O-N 3.39Å; Y108-D112 WeakPolarHBondContact O-CB 3.45Å; Y108-D112 PolarHBondContact O-N 3.3Å
109T75.8Confident74.5Confident62 Ų6297.1 Ų97.138%0.3847%0.474SS..Hα-helixtrans-63.4-39.4176.953.30000112.4V105 T106 D112 I113V105-T109 HydrophobicContact CG1-CG2 4.04Å; V105-T109 VanDerWaalsContact O-CB 3.23Å; V105-T109 WeakPolarHBondContact O-CB 3.39Å; V105-T109 WeakPolarHBondContact O-CG2 3.46Å; V105-T109 PolarHBondContact O-N 2.97Å; V105-T109 PolarHBondContact O-OG1 2.9Å; T106-T109 WeakPolarHBondContact CA-OG1 3.32Å; T106-T109 PolarHBondContact O-OG1 3.4Å; T109-D112 PolarHBondContact O-N 3.48Å; T109-I113 WeakPolarHBondContact O-CB 3.45Å; T109-I113 WeakPolarHBondContact O-CD1 3.38Å; T109-I113 WeakPolarHBondContact O-CG1 3.45Å; T109-I113 PolarHBondContact O-N 2.95Å
110L74.9Confident73.7Confident116 Ų116100.9 Ų100.961%0.60749%0.487SS*.Hα-helixtrans-65.9-41.2175.9-74.9171.7000111.8T106 Y108 F114T106-L110 WeakPolarHBondContact O-CB 3.45Å; T106-L110 WeakPolarHBondContact O-CD1 3.42Å; T106-L110 WeakPolarHBondContact O-CG 3.33Å; T106-L110 PolarHBondContact O-N 3.3Å; Y108-L110 PolarHBondContact O-N 3.31Å; L110-F114 VanDerWaalsContact O-CB 3.28Å; L110-F114 WeakPolarHBondContact O-CB 3.47Å; L110-F114 PolarHBondContact O-N 3.46Å
111L72.1Confident73.1Confident54 Ų54103.6 Ų103.628%0.28350%0.501SS..Hα-helixtrans-64-40174.3-75.3174.4000112.1Y107 Y108 F114 R115Y107-L111 HydrophobicContact CD1-CD1 4.02Å; Y107-L111 HydrophobicContact CE1-CD1 3.52Å; Y107-L111 HydrophobicContact CE2-CD1 4.22Å; Y107-L111 WeakPolarHBondContact O-CG 3.34Å; Y107-L111 PolarHBondContact O-N 3.01Å; Y107-L111 VanDerWaalsContact O-N 3.16Å; Y108-L111 PolarHBondContact O-N 3.39Å; L111-F114 PolarHBondContact O-N 3.47Å; L111-R115 WeakPolarHBondContact O-CB 3.48Å; L111-R115 VanDerWaalsContact O-CG 3.3Å; L111-R115 WeakPolarHBondContact O-CG 3.49Å; L111-R115 PolarHBondContact O-N 3.49Å
112D67.8Low72.2Confident87 Ų87109.9 Ų109.947%0.46552%0.52SS..Hα-helixtrans-70.7-40.2178.7-75.2-21000112.1Y108 T109 F114 R115 L116Y108-D112 WeakPolarHBondContact O-CB 3.45Å; Y108-D112 PolarHBondContact O-N 3.3Å; T109-D112 PolarHBondContact O-N 3.48Å; D112-F114 VanDerWaalsContact C-N 3.31Å; D112-F114 PolarHBondContact O-N 3.32Å; D112-R115 PolarHBondContact O-N 2.85Å; D112-R115 IonicContact OD1-NH1 3.66Å; D112-L116 VanDerWaalsContact O-CB 3.26Å; D112-L116 WeakPolarHBondContact O-CB 3.42Å; D112-L116 PolarHBondContact O-N 2.92Å
113I76.8Confident71.4Confident107 Ų107112.4 Ų112.455%0.54954%0.537SS..Hα-helixtrans-62.4-41.5172.5-69.2162.9000110.1T109 L116 A117T109-I113 WeakPolarHBondContact O-CB 3.45Å; T109-I113 WeakPolarHBondContact O-CD1 3.38Å; T109-I113 WeakPolarHBondContact O-CG1 3.45Å; T109-I113 PolarHBondContact O-N 2.95Å; I113-L116 WeakPolarHBondContact O-CB 3.34Å; I113-L116 PolarHBondContact O-N 2.97Å; I113-A117 WeakPolarHBondContact O-CB 3.41Å; I113-A117 PolarHBondContact O-N 3.32Å
114F75.8Confident70.5Confident133 Ų133108.7 Ų108.758%0.58352%0.523SS*.Hα-helixtrans-64.7-42.4176.5-177.5-105.7000112.1L110 L111 D112 A117 L118L110-F114 VanDerWaalsContact O-CB 3.28Å; L110-F114 WeakPolarHBondContact O-CB 3.47Å; L110-F114 PolarHBondContact O-N 3.46Å; L111-F114 PolarHBondContact O-N 3.47Å; D112-F114 VanDerWaalsContact C-N 3.31Å; D112-F114 PolarHBondContact O-N 3.32Å; F114-A117 PolarHBondContact O-N 3.43Å; F114-L118 HydrophobicContact CD1-CD1 3.76Å; F114-L118 HydrophobicContact CE1-CD1 3.41Å; F114-L118 VanDerWaalsContact CE1-CD1 3.41Å; F114-L118 HydrophobicContact CE1-CG 4.35Å; F114-L118 HydrophobicContact CZ-CD1 3.93Å; F114-L118 HydrophobicContact CZ-CG 4.47Å; F114-L118 WeakPolarHBondContact O-CG 3.34Å; F114-L118 PolarHBondContact O-N 2.92Å
115R70.6Confident69.9Low105 Ų105108 Ų10840%0.39654%0.535SS..Hα-helixtrans-66.7-37.5173.8-72.6175.6-157.2169.60112.4L111 D112 L118 R119L111-R115 WeakPolarHBondContact O-CB 3.48Å; L111-R115 VanDerWaalsContact O-CG 3.3Å; L111-R115 WeakPolarHBondContact O-CG 3.49Å; L111-R115 PolarHBondContact O-N 3.49Å; D112-R115 PolarHBondContact O-N 2.85Å; D112-R115 IonicContact OD1-NH1 3.66Å; R115-L118 PolarHBondContact O-N 2.94Å; R115-R119 PolarHBondContact O-N 2.94Å
116L69.1Low69.4Low116 Ų116106.6 Ų106.661%0.60752%0.521SS*.Hα-helixtrans-62.5-44.2174.4-171.486000110.5D112 I113 L118 R119 F120D112-L116 VanDerWaalsContact O-CB 3.26Å; D112-L116 WeakPolarHBondContact O-CB 3.42Å; D112-L116 PolarHBondContact O-N 2.92Å; I113-L116 WeakPolarHBondContact O-CB 3.34Å; I113-L116 PolarHBondContact O-N 2.97Å; L116-L118 VanDerWaalsContact C-N 3.33Å; L116-L118 PolarHBondContact O-N 3.39Å; L116-R119 WeakPolarHBondContact O-CB 3.34Å; L116-R119 PolarHBondContact O-N 2.91Å; L116-F120 PolarHBondContact O-N 3.06Å
117A73.3Confident68.5Low47 Ų47107.4 Ų107.439%0.38854%0.535SS..Hα-helixtrans-62-40.917500000111.7I113 F114 F120 I121I113-A117 WeakPolarHBondContact O-CB 3.41Å; I113-A117 PolarHBondContact O-N 3.32Å; F114-A117 PolarHBondContact O-N 3.43Å; A117-F120 PolarHBondContact O-N 3.33Å; A117-I121 WeakPolarHBondContact O-CG1 3.32Å; A117-I121 PolarHBondContact O-N 3.4Å
118L69.1Low67.7Low88 Ų88110.5 Ų110.546%0.46155%0.546SS..Hα-helixtrans-64.7-37.9173.4-76.5166000112.9F114 R115 L116 F120 I121 R122F114-L118 HydrophobicContact CD1-CD1 3.76Å; F114-L118 HydrophobicContact CE1-CD1 3.41Å; F114-L118 VanDerWaalsContact CE1-CD1 3.41Å; F114-L118 HydrophobicContact CE1-CG 4.35Å; F114-L118 HydrophobicContact CZ-CD1 3.93Å; F114-L118 HydrophobicContact CZ-CG 4.47Å; F114-L118 WeakPolarHBondContact O-CG 3.34Å; F114-L118 PolarHBondContact O-N 2.92Å; R115-L118 PolarHBondContact O-N 2.94Å; L116-L118 VanDerWaalsContact C-N 3.33Å; L116-L118 PolarHBondContact O-N 3.39Å; L118-F120 VanDerWaalsContact C-N 3.29Å; L118-F120 PolarHBondContact O-N 3.23Å; L118-I121 PolarHBondContact O-N 2.93Å; L118-R122 PolarHBondContact O-N 2.97Å; L118-R122 VanDerWaalsContact O-N 3.17Å
119R67.1Low67.3Low138 Ų138108 Ų10852%0.52154%0.541SS..Hα-helixtrans-66.8-27.4173.9-82.7-175.8173.4174.81.3113.1R115 L116R115-R119 PolarHBondContact O-N 2.94Å; L116-R119 WeakPolarHBondContact O-CB 3.34Å; L116-R119 PolarHBondContact O-N 2.91Å
120F66.1Low67Low193 Ų193111.1 Ų111.185%0.84656%0.56SS**Hα-helixtrans-75.6-27.9176.8-145.7-89.5000112.3L116 A117 L118L116-F120 PolarHBondContact O-N 3.06Å; A117-F120 PolarHBondContact O-N 3.33Å; L118-F120 VanDerWaalsContact C-N 3.29Å; L118-F120 PolarHBondContact O-N 3.23Å
121I68.8Low67.4Low137 Ų137109.5 Ų109.570%0.70355%0.552SS**Hα-helixtrans-88.4-26.5-178.1-63.7166.4000112A117 L118A117-I121 WeakPolarHBondContact O-CG1 3.32Å; A117-I121 PolarHBondContact O-N 3.4Å; L118-I121 PolarHBondContact O-N 2.93Å
122R61.8Low68Low201 Ų201108.6 Ų108.676%0.75855%0.55SS*.SBendtrans-119.3118.2175.8-75.2-174.8174172.5-1.1110.7L118 D124L118-R122 PolarHBondContact O-N 2.97Å; L118-R122 VanDerWaalsContact O-N 3.17Å; R122-D124 PolarHBondContact O-N 2.92Å
123P59Low69.1Low120 Ų120107.1 Ų107.178%0.77954%0.543SS*.  trans-59132.2176.323.1-30.6000110.1P125P123-P125 VanDerWaalsContact O-CD 3.29Å; P123-P125 WeakPolarHBondContact O-CD 3.47Å
124D59.8Low69.7Low60 Ų60103.2 Ų103.232%0.32153%0.53SS..  trans-64.7114.1-173.9-157.3-20.7000110.1R122 R126R122-D124 PolarHBondContact O-N 2.92Å; D124-R126 PolarHBondContact O-N 3.03Å; D124-R126 VanDerWaalsContact OD1-CD 3.25Å; D124-R126 WeakPolarHBondContact OD1-CD 3.31Å; D124-R126 WeakPolarHBondContact OD1-CG 3.44Å; D124-R126 IonicContact OD1-NE 3.35Å
125P60.3Low70.4Confident109 Ų10997.8 Ų97.871%0.70851%0.507SS*.G310 helixtrans-68-6.7-175.627.4-34.7000113.3P123 A127P123-P125 VanDerWaalsContact O-CD 3.29Å; P123-P125 WeakPolarHBondContact O-CD 3.47Å; P125-A127 PolarHBondContact O-N 3.03Å
126R63.3Low71.5Confident47 Ų4792.8 Ų92.818%0.17749%0.488CS..G310 helixtrans-68.2-10-178.3-63171.9-170.6-170.31.4114.5D124 R128 T213 S214 Y219D124-R126 PolarHBondContact O-N 3.03Å; D124-R126 VanDerWaalsContact OD1-CD 3.25Å; D124-R126 WeakPolarHBondContact OD1-CD 3.31Å; D124-R126 WeakPolarHBondContact OD1-CG 3.44Å; D124-R126 IonicContact OD1-NE 3.35Å; R126-R128 VanDerWaalsContact C-N 3.32Å; R126-R128 PolarHBondContact O-N 3.28Å; R126-T213 PolarHBondContact NH1-O 3.41Å; R126-S214 PolarHBondContact NE-O 3.17Å; R126-Y219 HydrophobicContact CB-CD1 3.97Å; R126-Y219 HydrophobicContact CB-CG 4.19Å
127A57.9Low72.7Confident89 Ų8989.7 Ų89.774%0.73647%0.474SS*.G310 helixtrans-73.2-19.2-177.900000114.3P125P125-A127 PolarHBondContact O-N 3.03Å
128R60.6Low73.7Confident208 Ų20889.3 Ų89.379%0.78547%0.468SS*.SBendtrans-117.8108.6177.7-71.4-175.3179.1175.6-0110.1R126 T130R126-R128 VanDerWaalsContact C-N 3.32Å; R126-R128 PolarHBondContact O-N 3.28Å; R128-T130 PolarHBondContact O-N 2.9Å
129V63.1Low74.9Confident50 Ų5085.1 Ų85.130%0.30345%0.447SS..  trans-74.5105.8170-173.40000107.7P132 P216V129-P132 HydrophobicContact CG1-CB 3.74Å; V129-P132 HydrophobicContact CG1-CG 4.25Å; V129-P216 HydrophobicContact CB-CB 4.14Å; V129-P216 HydrophobicContact CG1-CB 4.34Å; V129-P216 HydrophobicContact CG2-CB 3.76Å
130T69Low76.2Confident128 Ų12879.1 Ų79.179%0.78542%0.424SS*.SBendtrans-88.6-36.2178.847.20000112R128R128-T130 PolarHBondContact O-N 2.9Å
131D84.7Confident77.6Confident82 Ų8275.3 Ų75.344%0.43941%0.409SS..  trans-147.695.4176.9-1798.1000111.1V133 G134 D135D131-V133 PolarHBondContact O-N 3.44Å; D131-V133 PolarHBondContact OD1-N 3.33Å; D131-G134 VanDerWaalsContact CG-N 3.33Å; D131-G134 PolarHBondContact OD1-N 2.98Å; D131-G134 VanDerWaalsContact OD2-CA 3.3Å; D131-G134 WeakPolarHBondContact OD2-CA 3.5Å; D131-G134 PolarHBondContact OD2-N 2.93Å; D131-D135 VanDerWaalsContact O-CG 3.29Å; D131-D135 PolarHBondContact O-N 3.31Å
132P84.5Confident78.8Confident36 Ų3671.4 Ų71.423%0.23439%0.394CS..Hα-helixtrans-70.4-30.2-176.227.2-32.7000113.3V129 V136 T158 E217V129-P132 HydrophobicContact CG1-CB 3.74Å; V129-P132 HydrophobicContact CG1-CG 4.25Å; P132-V136 WeakPolarHBondContact O-CG2 3.35Å; P132-V136 PolarHBondContact O-N 3.41Å; P132-T158 HydrophobicContact CB-CG2 3.8Å; P132-T158 HydrophobicContact CG-CG2 3.7Å; P132-E217 HydrophobicContact CB-CB 4.32Å; P132-E217 HydrophobicContact CB-CG 4.19Å; P132-E217 WeakPolarHBondContact CB-OE2 3.46Å
133V90.3Very high80.4Confident55 Ų5561.9 Ų61.933%0.33336%0.358SS..Hα-helixtrans-76.5-45.4179.2-179.80000109.2D131 D135 V136 V137 T158D131-V133 PolarHBondContact O-N 3.44Å; D131-V133 PolarHBondContact OD1-N 3.33Å; V133-D135 VanDerWaalsContact C-N 3.26Å; V133-D135 PolarHBondContact O-N 3.46Å; V133-V136 PolarHBondContact O-N 3.44Å; V133-V136 VanDerWaalsContact O-N 3.16Å; V133-V137 HydrophobicContact CG1-CG2 4.37Å; V133-V137 WeakPolarHBondContact O-CG2 3.39Å; V133-V137 PolarHBondContact O-N 3.36Å; V133-T158 HydrophobicContact CG2-CG2 3.44Å; V133-T158 VanDerWaalsContact CG2-CG2 3.44Å
134G90.2Very high82.1Confident26 Ų2659 Ų5927%0.26833%0.334SS..Hα-helixtrans-59-36.3174.800000112.9D131 V136 V137 S138D131-G134 VanDerWaalsContact CG-N 3.33Å; D131-G134 PolarHBondContact OD1-N 2.98Å; D131-G134 VanDerWaalsContact OD2-CA 3.3Å; D131-G134 WeakPolarHBondContact OD2-CA 3.5Å; D131-G134 PolarHBondContact OD2-N 2.93Å; G134-V136 PolarHBondContact O-N 2.91Å; G134-V137 PolarHBondContact O-N 3.37Å; G134-S138 WeakPolarHBondContact O-CB 3.48Å; G134-S138 PolarHBondContact O-N 3.06Å; G134-S138 PolarHBondContact O-OG 3.34Å
135D90.8Very high83.8Confident18 Ų1864.5 Ų64.510%0.09636%0.358CS..Hα-helixtrans-58.7-47.2174.1-82.1-20.2000112.3D131 V133 S138 F139 K215 P216 E217D131-D135 VanDerWaalsContact O-CG 3.29Å; D131-D135 PolarHBondContact O-N 3.31Å; V133-D135 VanDerWaalsContact C-N 3.26Å; V133-D135 PolarHBondContact O-N 3.46Å; D135-S138 PolarHBondContact O-N 3.15Å; D135-S138 PolarHBondContact O-OG 3.5Å; D135-F139 PolarHBondContact O-N 2.98Å; D135-K215 HydrophobicContact CB-CB 4.11Å; D135-P216 WeakPolarHBondContact OD2-CB 3.5Å; D135-P216 VanDerWaalsContact OD2-CD 3.22Å; D135-P216 WeakPolarHBondContact OD2-CD 3.28Å; D135-E217 HydrophobicContact CB-CB 3.93Å; D135-E217 PolarHBondContact OD2-N 3.03Å; D135-E217 VanDerWaalsContact OD2-N 3.13Å
136V93Very high85.4Confident1 Ų163.4 Ų63.41%0.00634%0.342CS..Hα-helixtrans-66.5-47.2178.9175.60000111.1P132 V133 G134 S138 F139 I140 W209 C211 E217P132-V136 WeakPolarHBondContact O-CG2 3.35Å; P132-V136 PolarHBondContact O-N 3.41Å; V133-V136 PolarHBondContact O-N 3.44Å; V133-V136 VanDerWaalsContact O-N 3.16Å; G134-V136 PolarHBondContact O-N 2.91Å; V136-S138 VanDerWaalsContact C-N 3.31Å; V136-S138 PolarHBondContact O-N 3.38Å; V136-F139 WeakPolarHBondContact O-CB 3.26Å; V136-F139 PolarHBondContact O-N 3.04Å; V136-F139 VanDerWaalsContact O-N 3.1Å; V136-I140 HydrophobicContact CG1-CD1 4.12Å; V136-I140 WeakPolarHBondContact O-CG1 3.33Å; V136-I140 PolarHBondContact O-N 3.45Å; V136-W209 HydrophobicContact CG2-CZ2 3.94Å; V136-C211 HydrophobicContact CG2-CB 4.42Å; V136-E217 HydrophobicContact CG2-CG 4.21Å
137V94.2Very high86.8Confident51 Ų5162.4 Ų62.431%0.30934%0.338SS..Hα-helixtrans-61.8-41.6178.1175.20000111V133 G134 F139 I140 H141V133-V137 HydrophobicContact CG1-CG2 4.37Å; V133-V137 WeakPolarHBondContact O-CG2 3.39Å; V133-V137 PolarHBondContact O-N 3.36Å; G134-V137 PolarHBondContact O-N 3.37Å; V137-F139 VanDerWaalsContact C-N 3.28Å; V137-F139 PolarHBondContact O-N 2.68Å; V137-I140 PolarHBondContact O-N 2.97Å; V137-H141 PolarHBondContact O-CD2 2.97Å; V137-H141 VanDerWaalsContact O-CD2 3.27Å; V137-H141 PolarHBondContact O-N 3.42Å; V137-H141 VanDerWaalsContact O-N 3.07Å
138S93.8Very high88.4Confident38 Ų3859.6 Ų59.627%0.26632%0.318SS..Hα-helixtrans-63.8-34.5175.877.40000112.5G134 D135 V136 S142 K215G134-S138 WeakPolarHBondContact O-CB 3.48Å; G134-S138 PolarHBondContact O-N 3.06Å; G134-S138 PolarHBondContact O-OG 3.34Å; D135-S138 PolarHBondContact O-N 3.15Å; D135-S138 PolarHBondContact O-OG 3.5Å; V136-S138 VanDerWaalsContact C-N 3.31Å; V136-S138 PolarHBondContact O-N 3.38Å; S138-S142 WeakPolarHBondContact O-CB 3.47Å; S138-S142 PolarHBondContact O-N 2.94Å; S138-S142 VanDerWaalsContact O-N 3.08Å; S138-S142 PolarHBondContact O-OG 2.92Å; S138-K215 WeakPolarHBondContact OG-CE 3.26Å; S138-K215 PolarHBondContact OG-NZ 3.46Å
139F94.3Very high89.9Confident1 Ų157.4 Ų57.40%0.00432%0.316CS..Hα-helixtrans-65.5-47.1173.5165.5-101.9000111.2D135 V136 V137 H141 S142 F143 F154 Y176 H178 A210D135-F139 PolarHBondContact O-N 2.98Å; V136-F139 WeakPolarHBondContact O-CB 3.26Å; V136-F139 PolarHBondContact O-N 3.04Å; V136-F139 VanDerWaalsContact O-N 3.1Å; V137-F139 VanDerWaalsContact C-N 3.28Å; V137-F139 PolarHBondContact O-N 2.68Å; F139-H141 VanDerWaalsContact C-N 3.33Å; F139-H141 PolarHBondContact O-N 3.46Å; F139-S142 WeakPolarHBondContact CA-OG 3.35Å; F139-S142 CarbonylContact O-C 3.53Å; F139-S142 PolarHBondContact O-N 3.43Å; F139-S142 VanDerWaalsContact O-N 3.11Å; F139-S142 PolarHBondContact O-OG 2.95Å; F139-F143 HydrophobicContact CE2-CD2 4.41Å; F139-F143 HydrophobicContact CZ-CB 4.33Å; F139-F143 AromaticContact CZ-CD2 3.88Å; F139-F143 HydrophobicContact CZ-CD2 3.88Å; F139-F143 HydrophobicContact CZ-CG 4.48Å; F139-F143 WeakPolarHBondContact O-CB 3.26Å; F139-F143 PolarHBondContact O-N 3.41Å; F139-F154 HydrophobicContact CE1-CE1 4.24Å; F139-F154 HydrophobicContact CE1-CZ 4.46Å; F139-Y176 HydrophobicContact CZ-CE1 4.43Å; F139-H178 HydrophobicContact CE2-CB 3.55Å; F139-H178 AromaticContact CE2-CD2 3.83Å; F139-H178 AromaticContact CE2-CG 3.61Å; F139-H178 HydrophobicContact CZ-CB 3.79Å; F139-A210 HydrophobicContact CD1-CB 4.36Å; F139-A210 HydrophobicContact CE1-CB 3.57Å; F139-A210 HydrophobicContact CZ-CB 4.3Å
140I95.1Very high91.2Very high11 Ų1158.9 Ų58.96%0.05633%0.329CS..Hα-helixtrans-56.5-48.6179-65.5166000110.1V136 V137 S142 F143 E144 F154 Q156V136-I140 HydrophobicContact CG1-CD1 4.12Å; V136-I140 WeakPolarHBondContact O-CG1 3.33Å; V136-I140 PolarHBondContact O-N 3.45Å; V137-I140 PolarHBondContact O-N 2.97Å; I140-S142 PolarHBondContact O-N 2.91Å; I140-F143 WeakPolarHBondContact O-CB 3.29Å; I140-F143 PolarHBondContact O-N 2.66Å; I140-F143 VanDerWaalsContact O-N 3.13Å; I140-E144 HydrophobicContact CG2-CG 4.42Å; I140-E144 WeakPolarHBondContact O-CG 3.42Å; I140-E144 PolarHBondContact O-N 3.05Å; I140-F154 HydrophobicContact CD1-CB 3.64Å; I140-F154 HydrophobicContact CD1-CG 4.38Å; I140-F154 HydrophobicContact CG1-CB 3.83Å; I140-F154 HydrophobicContact CG1-CD2 3.96Å; I140-F154 HydrophobicContact CG1-CG 4Å; I140-F154 HydrophobicContact CG2-CD2 4.06Å; I140-Q156 HydrophobicContact CD1-CG 4.2Å
141H95.1Very high92.5Very high114 Ų11454.1 Ų54.153%0.52830%0.298SS..Hα-helixtrans-59.6-44.2176-74.4-54.8000113V137 F139 F143 E144 E145V137-H141 PolarHBondContact O-CD2 2.97Å; V137-H141 VanDerWaalsContact O-CD2 3.27Å; V137-H141 PolarHBondContact O-N 3.42Å; V137-H141 VanDerWaalsContact O-N 3.07Å; F139-H141 VanDerWaalsContact C-N 3.33Å; F139-H141 PolarHBondContact O-N 3.46Å; H141-F143 VanDerWaalsContact C-N 3.26Å; H141-F143 PolarHBondContact O-N 3.35Å; H141-E144 IonicContact ND1-OE2 2.8Å; H141-E144 PolarHBondContact O-N 2.96Å; H141-E145 WeakPolarHBondContact O-CB 3.37Å; H141-E145 PolarHBondContact O-N 3.22Å
142S94.1Very high93Very high54 Ų5450.2 Ų50.238%0.37828%0.277SS..Hα-helixtrans-66.2-30.2177.470.50000113S138 F139 I140 K146S138-S142 WeakPolarHBondContact O-CB 3.47Å; S138-S142 PolarHBondContact O-N 2.94Å; S138-S142 VanDerWaalsContact O-N 3.08Å; S138-S142 PolarHBondContact O-OG 2.92Å; F139-S142 WeakPolarHBondContact CA-OG 3.35Å; F139-S142 CarbonylContact O-C 3.53Å; F139-S142 PolarHBondContact O-N 3.43Å; F139-S142 VanDerWaalsContact O-N 3.11Å; F139-S142 PolarHBondContact O-OG 2.95Å; I140-S142 PolarHBondContact O-N 2.91Å; S142-K146 WeakPolarHBondContact O-CB 3.28Å; S142-K146 PolarHBondContact O-N 2.94Å
143F94.9Very high93.5Very high2 Ų253.3 Ų53.31%0.00930%0.295CS..Hα-helixtrans-70.7-48.9175.5-175.7-78.1000110.2F139 I140 H141 E145 K146 Y147 H151 F154 C189 L193F139-F143 HydrophobicContact CE2-CD2 4.41Å; F139-F143 HydrophobicContact CZ-CB 4.33Å; F139-F143 AromaticContact CZ-CD2 3.88Å; F139-F143 HydrophobicContact CZ-CD2 3.88Å; F139-F143 HydrophobicContact CZ-CG 4.48Å; F139-F143 WeakPolarHBondContact O-CB 3.26Å; F139-F143 PolarHBondContact O-N 3.41Å; I140-F143 WeakPolarHBondContact O-CB 3.29Å; I140-F143 PolarHBondContact O-N 2.66Å; I140-F143 VanDerWaalsContact O-N 3.13Å; H141-F143 VanDerWaalsContact C-N 3.26Å; H141-F143 PolarHBondContact O-N 3.35Å; F143-E145 VanDerWaalsContact C-N 3.31Å; F143-E145 PolarHBondContact O-N 3.38Å; F143-K146 PolarHBondContact O-N 3.39Å; F143-K146 VanDerWaalsContact O-N 3.15Å; F143-Y147 HydrophobicContact CB-CD2 4.49Å; F143-Y147 AromaticContact CD1-CD2 4Å; F143-Y147 HydrophobicContact CD1-CD2 4Å; F143-Y147 AromaticContact CD2-CD2 3.52Å; F143-Y147 HydrophobicContact CD2-CD2 3.52Å; F143-Y147 AromaticContact CD2-CE2 3.77Å; F143-Y147 HydrophobicContact CD2-CE2 3.77Å; F143-Y147 AromaticContact CE1-CD2 3.96Å; F143-Y147 HydrophobicContact CE1-CD2 3.96Å; F143-Y147 HydrophobicContact CE1-CG 4.33Å; F143-Y147 AromaticContact CE2-CD2 3.53Å; F143-Y147 HydrophobicContact CE2-CD2 3.53Å; F143-Y147 AromaticContact CE2-CE2 3.87Å; F143-Y147 HydrophobicContact CE2-CE2 3.87Å; F143-Y147 HydrophobicContact CE2-CG 4.35Å; F143-Y147 AromaticContact CG-CD2 3.76Å; F143-Y147 HydrophobicContact CG-CD2 3.76Å; F143-Y147 HydrophobicContact CG-CE2 4.35Å; F143-Y147 AromaticContact CZ-CD2 3.74Å; F143-Y147 HydrophobicContact CZ-CD2 3.74Å; F143-Y147 HydrophobicContact CZ-CE2 4.49Å; F143-Y147 HydrophobicContact CZ-CG 4.17Å; F143-Y147 WeakPolarHBondContact O-CD2 3.35Å; F143-Y147 PolarHBondContact O-N 3.5Å; F143-H151 HydrophobicContact CD1-CB 4.47Å; F143-H151 HydrophobicContact CE1-CB 3.7Å; F143-H151 HydrophobicContact CZ-CB 4.41Å; F143-F154 AromaticContact CD1-CE2 3.88Å; F143-F154 HydrophobicContact CD1-CE2 3.88Å; F143-F154 AromaticContact CD1-CZ 3.96Å; F143-F154 HydrophobicContact CD1-CZ 3.96Å; F143-F154 HydrophobicContact CD2-CZ 4.22Å; F143-F154 HydrophobicContact CE1-CE2 4.23Å; F143-F154 HydrophobicContact CE1-CZ 4.07Å; F143-F154 HydrophobicContact CE2-CZ 4.28Å; F143-F154 HydrophobicContact CG-CE2 4.23Å; F143-F154 HydrophobicContact CG-CZ 4.07Å; F143-F154 HydrophobicContact CZ-CZ 4.23Å; F143-C189 HydrophobicContact CE2-CB 4.15Å; F143-C189 HydrophobicContact CZ-CB 4.27Å; F143-L193 HydrophobicContact CE2-CD2 4.11Å; F143-L193 HydrophobicContact CZ-CD2 3.98Å
144E95.5Very high93.8Very high58 Ų5851.1 Ų51.127%0.27128%0.281SS..Hα-helixtrans-59.4-40.9177.7-74172.4178.300111.9I140 H141 K146 G148 H151I140-E144 HydrophobicContact CG2-CG 4.42Å; I140-E144 WeakPolarHBondContact O-CG 3.42Å; I140-E144 PolarHBondContact O-N 3.05Å; H141-E144 IonicContact ND1-OE2 2.8Å; H141-E144 PolarHBondContact O-N 2.96Å; E144-K146 VanDerWaalsContact C-N 3.32Å; E144-K146 PolarHBondContact O-N 3.38Å; E144-G148 CarbonylContact O-C 3.55Å; E144-G148 WeakPolarHBondContact O-CA 3.44Å; E144-G148 PolarHBondContact O-N 3.39Å; E144-H151 WeakPolarHBondContact CG-NE2 3.34Å; E144-H151 IonicContact OE1-NE2 3.58Å; E144-H151 PolarHBondContact OE1-NE2 3.4Å
145E94.8Very high94.1Very high176 Ų17652.1 Ų52.182%0.82228%0.277SS*.Hα-helixtrans-63-38.4176.6-171.7-179.8-175.700112H141 F143H141-E145 WeakPolarHBondContact O-CB 3.37Å; H141-E145 PolarHBondContact O-N 3.22Å; F143-E145 VanDerWaalsContact C-N 3.31Å; F143-E145 PolarHBondContact O-N 3.38Å
146K93.3Very high94.2Very high87 Ų8758.7 Ų58.738%0.37831%0.307SS..Hα-helixtrans-86.3-38.7-174.8-170.3173.5179.2-1680113.8S142 F143 E144 D186 R190S142-K146 WeakPolarHBondContact O-CB 3.28Å; S142-K146 PolarHBondContact O-N 2.94Å; F143-K146 PolarHBondContact O-N 3.39Å; F143-K146 VanDerWaalsContact O-N 3.15Å; E144-K146 VanDerWaalsContact C-N 3.32Å; E144-K146 PolarHBondContact O-N 3.38Å; K146-D186 WeakPolarHBondContact CE-OD2 3.35Å; K146-D186 IonicContact NZ-OD1 3.33Å; K146-D186 PolarHBondContact NZ-OD1 3.22Å; K146-D186 IonicContact NZ-OD2 3.06Å; K146-D186 PolarHBondContact NZ-OD2 3.4Å; K146-R190 PolarHBondContact O-NH2 2.9Å
147Y92.8Very high94.1Very high26 Ų2658.7 Ų58.710%0.10231%0.307CS..Hα-helixtrans-114.7-15.9-170.7-54.1-69.8000113.8F143 H178 D186 C189 R190F143-Y147 HydrophobicContact CB-CD2 4.49Å; F143-Y147 AromaticContact CD1-CD2 4Å; F143-Y147 HydrophobicContact CD1-CD2 4Å; F143-Y147 AromaticContact CD2-CD2 3.52Å; F143-Y147 HydrophobicContact CD2-CD2 3.52Å; F143-Y147 AromaticContact CD2-CE2 3.77Å; F143-Y147 HydrophobicContact CD2-CE2 3.77Å; F143-Y147 AromaticContact CE1-CD2 3.96Å; F143-Y147 HydrophobicContact CE1-CD2 3.96Å; F143-Y147 HydrophobicContact CE1-CG 4.33Å; F143-Y147 AromaticContact CE2-CD2 3.53Å; F143-Y147 HydrophobicContact CE2-CD2 3.53Å; F143-Y147 AromaticContact CE2-CE2 3.87Å; F143-Y147 HydrophobicContact CE2-CE2 3.87Å; F143-Y147 HydrophobicContact CE2-CG 4.35Å; F143-Y147 AromaticContact CG-CD2 3.76Å; F143-Y147 HydrophobicContact CG-CD2 3.76Å; F143-Y147 HydrophobicContact CG-CE2 4.35Å; F143-Y147 AromaticContact CZ-CD2 3.74Å; F143-Y147 HydrophobicContact CZ-CD2 3.74Å; F143-Y147 HydrophobicContact CZ-CE2 4.49Å; F143-Y147 HydrophobicContact CZ-CG 4.17Å; F143-Y147 WeakPolarHBondContact O-CD2 3.35Å; F143-Y147 PolarHBondContact O-N 3.5Å; Y147-H178 AromaticContact CE2-CE1 3.99Å; Y147-D186 HydrophobicContact CE1-CB 4.48Å; Y147-D186 PolarHBondContact OH-OD1 3.36Å; Y147-C189 HydrophobicContact CD1-CB 3.72Å; Y147-C189 HydrophobicContact CD2-CB 4.17Å; Y147-C189 HydrophobicContact CE1-CB 3.58Å; Y147-C189 HydrophobicContact CE2-CB 4.05Å; Y147-C189 HydrophobicContact CG-CB 4.02Å; Y147-R190 HydrophobicContact CD1-CG 3.73Å; Y147-R190 HydrophobicContact CE1-CG 4.19Å
148G92.3Very high93.9Very high29 Ų2957.1 Ų57.130%0.29930%0.298SS..  trans97.5177.3-176.100000113E144 S150 H151E144-G148 CarbonylContact O-C 3.55Å; E144-G148 WeakPolarHBondContact O-CA 3.44Å; E144-G148 PolarHBondContact O-N 3.39Å; G148-S150 VanDerWaalsContact C-N 3.32Å; G148-H151 PolarHBondContact O-CD2 3.17Å
149Q91.5Very high93.8Very high162 Ų16255.3 Ų55.376%0.75729%0.285SS*.SBendtrans-85.5-1.7-176.1-64.9178.7-2.600113.8H151Q149-H151 PolarHBondContact O-N 3.1Å
150S92.1Very high93.6Very high82 Ų8255.9 Ų55.957%0.57329%0.29SS*.  trans-85.384.8177.2-59.80000109.7G148 C194G148-S150 VanDerWaalsContact C-N 3.32Å; S150-C194 WeakPolarHBondContact O-CA 3.4Å; S150-C194 VanDerWaalsContact O-CB 3.23Å; S150-C194 WeakPolarHBondContact O-CB 3.4Å; S150-C194 PolarHBondContact O-SG 2.85Å
151H94.5Very high93.4Very high27 Ų2759.7 Ų59.713%0.12531%0.307CS..SBendtrans-148.6165.7178.859.572.1000111.7F143 E144 G148 Q149 F154F143-H151 HydrophobicContact CD1-CB 4.47Å; F143-H151 HydrophobicContact CE1-CB 3.7Å; F143-H151 HydrophobicContact CZ-CB 4.41Å; E144-H151 WeakPolarHBondContact CG-NE2 3.34Å; E144-H151 IonicContact OE1-NE2 3.58Å; E144-H151 PolarHBondContact OE1-NE2 3.4Å; G148-H151 PolarHBondContact O-CD2 3.17Å; Q149-H151 PolarHBondContact O-N 3.1Å; H151-F154 HydrophobicContact CB-CE2 4.16Å; H151-F154 HydrophobicContact CB-CZ 4.45Å; H151-F154 AromaticContact CE1-CD2 3.42Å; H151-F154 VanDerWaalsContact CE1-CD2 3.42Å; H151-F154 WeakPolarHBondContact CE1-CD2 3.42Å; H151-F154 AromaticContact CE1-CE2 3.49Å; H151-F154 VanDerWaalsContact CE1-CE2 3.49Å; H151-F154 WeakPolarHBondContact CE1-CE2 3.46Å; H151-F154 AromaticContact CG-CE2 3.53Å; H151-F154 AromaticContact ND1-CD2 3.36Å; H151-F154 WeakPolarHBondContact ND1-CD2 3.27Å; H151-F154 AromaticContact ND1-CE2 3.16Å; H151-F154 WeakPolarHBondContact ND1-CE2 3.42Å; H151-F154 AromaticContact NE2-CE2 3.99Å
152P95.3Very high93.3Very high0 Ų054.2 Ų54.20%028%0.282CS..  trans-62.2152.7173.3-1730.6000110.8F154 L193 I199 L202 F208P152-F154 PolarHBondContact O-N 3.03Å; P152-L193 WeakPolarHBondContact CD-O 3.36Å; P152-L193 HydrophobicContact CG-CD1 3.85Å; P152-L193 HydrophobicContact CG-CG 4.17Å; P152-I199 HydrophobicContact CG-CG1 4.11Å; P152-L202 HydrophobicContact CB-CB 4.13Å; P152-L202 HydrophobicContact CB-CD1 3.93Å; P152-L202 HydrophobicContact CG-CD1 3.56Å; P152-F208 HydrophobicContact CB-CD1 3.7Å; P152-F208 HydrophobicContact CB-CE1 3.95Å; P152-F208 HydrophobicContact CB-CG 4.35Å; P152-F208 HydrophobicContact CG-CD1 4.34Å; P152-F208 HydrophobicContact CG-CE1 4.1Å
153V95.8Very high93.2Very high101 Ų10151.8 Ų51.861%0.61226%0.264SS*.  trans-67.3109.9-178.5177.20000109.1N203V153-N203 PolarHBondContact N-OD1 3.12Å
154F96.2Very high93Very high10 Ų1054.1 Ų54.14%0.04428%0.277CS..BIsolated β-bridgetrans-74132.6175.8-64.3-68.8000110.8F139 I140 F143 H151 P152 Q156 F208 A210F139-F154 HydrophobicContact CE1-CE1 4.24Å; F139-F154 HydrophobicContact CE1-CZ 4.46Å; I140-F154 HydrophobicContact CD1-CB 3.64Å; I140-F154 HydrophobicContact CD1-CG 4.38Å; I140-F154 HydrophobicContact CG1-CB 3.83Å; I140-F154 HydrophobicContact CG1-CD2 3.96Å; I140-F154 HydrophobicContact CG1-CG 4Å; I140-F154 HydrophobicContact CG2-CD2 4.06Å; F143-F154 AromaticContact CD1-CE2 3.88Å; F143-F154 HydrophobicContact CD1-CE2 3.88Å; F143-F154 AromaticContact CD1-CZ 3.96Å; F143-F154 HydrophobicContact CD1-CZ 3.96Å; F143-F154 HydrophobicContact CD2-CZ 4.22Å; F143-F154 HydrophobicContact CE1-CE2 4.23Å; F143-F154 HydrophobicContact CE1-CZ 4.07Å; F143-F154 HydrophobicContact CE2-CZ 4.28Å; F143-F154 HydrophobicContact CG-CE2 4.23Å; F143-F154 HydrophobicContact CG-CZ 4.07Å; F143-F154 HydrophobicContact CZ-CZ 4.23Å; H151-F154 HydrophobicContact CB-CE2 4.16Å; H151-F154 HydrophobicContact CB-CZ 4.45Å; H151-F154 AromaticContact CE1-CD2 3.42Å; H151-F154 VanDerWaalsContact CE1-CD2 3.42Å; H151-F154 WeakPolarHBondContact CE1-CD2 3.42Å; H151-F154 AromaticContact CE1-CE2 3.49Å; H151-F154 VanDerWaalsContact CE1-CE2 3.49Å; H151-F154 WeakPolarHBondContact CE1-CE2 3.46Å; H151-F154 AromaticContact CG-CE2 3.53Å; H151-F154 AromaticContact ND1-CD2 3.36Å; H151-F154 WeakPolarHBondContact ND1-CD2 3.27Å; H151-F154 AromaticContact ND1-CE2 3.16Å; H151-F154 WeakPolarHBondContact ND1-CE2 3.42Å; H151-F154 AromaticContact NE2-CE2 3.99Å; P152-F154 PolarHBondContact O-N 3.03Å; F154-Q156 PolarHBondContact O-N 3.49Å; F154-F208 AromaticContact CD1-CD1 3.67Å; F154-F208 HydrophobicContact CD1-CD1 3.67Å; F154-F208 AromaticContact CD1-CE1 3.53Å; F154-F208 HydrophobicContact CD1-CE1 3.53Å; F154-F208 AromaticContact CE1-CD1 3.92Å; F154-F208 HydrophobicContact CE1-CD1 3.92Å; F154-F208 AromaticContact CE1-CE1 3.26Å; F154-F208 HydrophobicContact CE1-CE1 3.26Å; F154-F208 HydrophobicContact CE1-CZ 4.13Å; F154-F208 HydrophobicContact CZ-CE1 4.19Å; F154-A210 HydrophobicContact CD1-CB 3.53Å; F154-A210 HydrophobicContact CE1-CB 3.45Å; F154-A210 VanDerWaalsContact CE1-CB 3.45Å
155Y95.9Very high92.8Very high47 Ų4752.9 Ų52.918%0.18427%0.272CS..  trans-67116.1172.5-174-83000110.2G157 Q161 A162 D165 F208Y155-G157 VanDerWaalsContact C-N 3.28Å; Y155-G157 PolarHBondContact O-N 2.91Å; Y155-Q161 HydrophobicContact CE1-CB 4.13Å; Y155-A162 HydrophobicContact CD1-CB 3.72Å; Y155-A162 HydrophobicContact CD2-CB 4.47Å; Y155-A162 HydrophobicContact CE1-CB 3.8Å; Y155-A162 HydrophobicContact CG-CB 4.08Å; Y155-D165 HydrophobicContact CE2-CB 4.4Å; Y155-D165 PolarHBondContact OH-OD2 3.46Å; Y155-F208 WeakPolarHBondContact CB-O 3.49Å; Y155-F208 PolarHBondContact N-O 3.41Å
156Q93.3Very high92.7Very high156 Ų15644.5 Ų44.573%0.72923%0.233SC*.  trans-85.663.7-176.7-62.5-176.6200111.7I140 F154I140-Q156 HydrophobicContact CD1-CG 4.2Å; F154-Q156 PolarHBondContact O-N 3.49Å
157G91.3Very high92.6Very high1 Ų142.1 Ų42.11%0.0122%0.223CC..SBendtrans-165.4-179.7177.900000112.6Y155 W209Y155-G157 VanDerWaalsContact C-N 3.28Å; Y155-G157 PolarHBondContact O-N 2.91Å; G157-W209 PolarHBondContact O-NE1 3.33Å
158T90.9Very high92.3Very high18 Ų1845.8 Ų45.811%0.1124%0.236CC..  trans-68.7159.8179.866.60000111.9P132 V133 S160 Q161 A162P132-T158 HydrophobicContact CB-CG2 3.8Å; P132-T158 HydrophobicContact CG-CG2 3.7Å; V133-T158 HydrophobicContact CG2-CG2 3.44Å; V133-T158 VanDerWaalsContact CG2-CG2 3.44Å; T158-S160 VanDerWaalsContact C-N 3.26Å; T158-S160 PolarHBondContact O-N 3.35Å; T158-Q161 PolarHBondContact O-N 2.87Å; T158-Q161 VanDerWaalsContact O-N 3.14Å; T158-Q161 WeakPolarHBondContact OG1-CB 3.43Å; T158-Q161 VanDerWaalsContact OG1-CG 3.25Å; T158-Q161 WeakPolarHBondContact OG1-CG 3.47Å; T158-Q161 PolarHBondContact OG1-N 3.11Å; T158-Q161 PolarHBondContact OG1-OE1 2.96Å; T158-A162 PolarHBondContact O-N 3.36Å
159Y90.8Very high92.2Very high0 Ų048.2 Ų48.20%024%0.24CC..Hα-helixtrans-56-41.3174.7172.4-112.8000112.7V71 A162 L163 V175 W209 E217 V221 I236V71-Y159 WeakPolarHBondContact CG2-OH 3.41Å; Y159-A162 PolarHBondContact O-N 3.33Å; Y159-L163 HydrophobicContact CD1-CD1 3.99Å; Y159-L163 HydrophobicContact CE1-CD1 3.4Å; Y159-L163 HydrophobicContact CE1-CG 4.33Å; Y159-L163 HydrophobicContact CE2-CD1 4.01Å; Y159-L163 HydrophobicContact CE2-CG 4.09Å; Y159-L163 VanDerWaalsContact CZ-CD1 3.43Å; Y159-L163 PolarHBondContact O-N 2.96Å; Y159-V175 HydrophobicContact CD2-CG2 4.39Å; Y159-V175 HydrophobicContact CE2-CG2 3.93Å; Y159-W209 HydrophobicContact CD2-CD2 4.42Å; Y159-W209 HydrophobicContact CD2-CE3 4.27Å; Y159-W209 HydrophobicContact CD2-CZ3 4.34Å; Y159-E217 WeakPolarHBondContact CB-OE1 3.43Å; Y159-E217 PolarHBondContact N-OE1 2.91Å; Y159-E217 VanDerWaalsContact N-OE1 3.16Å; Y159-V221 HydrophobicContact CD1-CG2 3.72Å; Y159-V221 HydrophobicContact CD2-CG1 3.95Å; Y159-V221 HydrophobicContact CD2-CG2 3.89Å; Y159-V221 HydrophobicContact CE1-CG2 4.35Å; Y159-V221 HydrophobicContact CE2-CG1 3.9Å; Y159-V221 HydrophobicContact CG-CG1 4.29Å; Y159-V221 HydrophobicContact CG-CG2 3.44Å; Y159-V221 VanDerWaalsContact CG-CG2 3.44Å; Y159-I236 HydrophobicContact CE2-CD1 4.35Å
160S90.1Very high92.2Very high13 Ų1341.1 Ų41.19%0.09121%0.207CC..Hα-helixtrans-65.9-37.8178.3-57.80000112.6T158 L163 N164T158-S160 VanDerWaalsContact C-N 3.26Å; T158-S160 PolarHBondContact O-N 3.35Å; S160-L163 PolarHBondContact O-N 3.42Å; S160-N164 WeakPolarHBondContact O-CB 3.35Å; S160-N164 VanDerWaalsContact O-CG 3.25Å; S160-N164 PolarHBondContact O-N 3.44Å; S160-N164 PolarHBondContact O-ND2 2.85Å
161Q91.3Very high92.2Very high90 Ų9042.5 Ų42.542%0.42120%0.2SC..Hα-helixtrans-65.1-46175.7-75.8165.8-26.200110.9Y155 T158 L163 N164 D165Y155-Q161 HydrophobicContact CE1-CB 4.13Å; T158-Q161 PolarHBondContact O-N 2.87Å; T158-Q161 VanDerWaalsContact O-N 3.14Å; T158-Q161 WeakPolarHBondContact OG1-CB 3.43Å; T158-Q161 VanDerWaalsContact OG1-CG 3.25Å; T158-Q161 WeakPolarHBondContact OG1-CG 3.47Å; T158-Q161 PolarHBondContact OG1-N 3.11Å; T158-Q161 PolarHBondContact OG1-OE1 2.96Å; Q161-L163 VanDerWaalsContact C-N 3.31Å; Q161-L163 PolarHBondContact O-N 2.89Å; Q161-N164 PolarHBondContact O-N 3.28Å; Q161-N164 VanDerWaalsContact O-N 3.17Å; Q161-D165 PolarHBondContact O-N 2.88Å
162A93.1Very high92.2Very high0 Ų041.9 Ų41.90%020%0.196CC..Hα-helixtrans-59.8-40.7176.800000112.3Y155 T158 Y159 A166 L173 W209Y155-A162 HydrophobicContact CD1-CB 3.72Å; Y155-A162 HydrophobicContact CD2-CB 4.47Å; Y155-A162 HydrophobicContact CE1-CB 3.8Å; Y155-A162 HydrophobicContact CG-CB 4.08Å; T158-A162 PolarHBondContact O-N 3.36Å; Y159-A162 PolarHBondContact O-N 3.33Å; A162-A166 VanDerWaalsContact O-CB 3.26Å; A162-A166 WeakPolarHBondContact O-CB 3.44Å; A162-A166 PolarHBondContact O-N 3.42Å; A162-L173 HydrophobicContact CB-CD1 3.94Å; A162-L173 HydrophobicContact CB-CD2 4.26Å; A162-W209 HydrophobicContact CB-CB 4.22Å; A162-W209 HydrophobicContact CB-CG 4.21Å
163L91.8Very high92.3Very high3 Ų341.9 Ų41.92%0.01620%0.196CC..Hα-helixtrans-63.2-44.2174.2-81.9174.4000112.8L69 V71 Y159 S160 Q161 A166 K167 L173 I236 M243L69-L163 HydrophobicContact CB-CD1 3.92Å; L69-L163 HydrophobicContact CD1-CB 4.49Å; L69-L163 HydrophobicContact CD1-CD1 4.1Å; V71-L163 HydrophobicContact CG2-CD1 4.34Å; V71-L163 HydrophobicContact CG2-CD2 4.34Å; Y159-L163 HydrophobicContact CD1-CD1 3.99Å; Y159-L163 HydrophobicContact CE1-CD1 3.4Å; Y159-L163 HydrophobicContact CE1-CG 4.33Å; Y159-L163 HydrophobicContact CE2-CD1 4.01Å; Y159-L163 HydrophobicContact CE2-CG 4.09Å; Y159-L163 VanDerWaalsContact CZ-CD1 3.43Å; Y159-L163 PolarHBondContact O-N 2.96Å; S160-L163 PolarHBondContact O-N 3.42Å; Q161-L163 VanDerWaalsContact C-N 3.31Å; Q161-L163 PolarHBondContact O-N 2.89Å; L163-A166 PolarHBondContact O-N 3.49Å; L163-K167 WeakPolarHBondContact O-CB 3.41Å; L163-K167 PolarHBondContact O-N 3.06Å; L163-L173 HydrophobicContact CD2-CD2 3.66Å; L163-L173 HydrophobicContact CG-CD2 3.96Å; L163-I236 HydrophobicContact CD2-CD1 4.23Å; L163-I236 HydrophobicContact CD2-CG2 3.92Å; L163-M243 HydrophobicContact CD2-CB 4.18Å; L163-M243 HydrophobicContact CD2-CE 3.75Å; L163-M243 HydrophobicContact CD2-CG 4.25Å
164N90.5Very high92.4Very high51 Ų5137.1 Ų37.127%0.27317%0.168SC..Hα-helixtrans-67.2-41.9-179.3-73.3-19.2000111.5S160 Q161 K167 R168S160-N164 WeakPolarHBondContact O-CB 3.35Å; S160-N164 VanDerWaalsContact O-CG 3.25Å; S160-N164 PolarHBondContact O-N 3.44Å; S160-N164 PolarHBondContact O-ND2 2.85Å; Q161-N164 PolarHBondContact O-N 3.28Å; Q161-N164 VanDerWaalsContact O-N 3.17Å; N164-K167 WeakPolarHBondContact O-CB 3.39Å; N164-K167 PolarHBondContact O-N 3.26Å; N164-R168 WeakPolarHBondContact O-CB 3.48Å; N164-R168 PolarHBondContact O-N 3.3Å
165D91.9Very high92.4Very high32 Ų3236.7 Ų36.717%0.17117%0.166CC..Hα-helixtrans-66.2-40.9176.2-75.8-11000111.5Y155 Q161 K167 R168 E169 L207Y155-D165 HydrophobicContact CE2-CB 4.4Å; Y155-D165 PolarHBondContact OH-OD2 3.46Å; Q161-D165 PolarHBondContact O-N 2.88Å; D165-K167 VanDerWaalsContact C-N 3.31Å; D165-K167 PolarHBondContact O-N 3.49Å; D165-R168 PolarHBondContact O-N 3.26Å; D165-R168 IonicContact OD1-CZ 3.13Å; D165-R168 IonicContact OD1-NH1 2.68Å; D165-R168 PolarHBondContact OD1-NH1 2.92Å; D165-R168 IonicContact OD1-NH2 2.84Å; D165-R168 PolarHBondContact OD1-NH2 3.31Å; D165-R168 IonicContact OD2-NH2 3.65Å; D165-E169 WeakPolarHBondContact O-CB 3.27Å; D165-E169 PolarHBondContact O-N 2.99Å; D165-L207 HydrophobicContact CB-CD1 4.23Å
166A92.3Very high92.5Very high0 Ų034.4 Ų34.40%016%0.157CC..Hα-helixtrans-60.7-40.2173.200000112.4A162 L163 L170 R171 L173 L207 M243A162-A166 VanDerWaalsContact O-CB 3.26Å; A162-A166 WeakPolarHBondContact O-CB 3.44Å; A162-A166 PolarHBondContact O-N 3.42Å; L163-A166 PolarHBondContact O-N 3.49Å; A166-L170 WeakPolarHBondContact O-CA 3.44Å; A166-L170 PolarHBondContact O-N 3.33Å; A166-R171 PolarHBondContact O-N 2.92Å; A166-R171 VanDerWaalsContact O-N 3.1Å; A166-L173 HydrophobicContact CB-CB 3.84Å; A166-L207 HydrophobicContact CB-CD1 4.08Å; A166-M243 HydrophobicContact CB-CE 3.85Å
167K90.4Very high92.5Very high36 Ų3627 Ų2716%0.15712%0.122CC..Hα-helixtrans-64.7-45.6174.4-177.4180-178.7-167.80111.6E53 Q54 L163 N164 D165 L238 M243E53-K167 PolarHBondContact O-NZ 3.49Å; Q54-K167 VanDerWaalsContact O-CE 3.27Å; Q54-K167 WeakPolarHBondContact O-CE 3.4Å; Q54-K167 PolarHBondContact O-NZ 2.95Å; L163-K167 WeakPolarHBondContact O-CB 3.41Å; L163-K167 PolarHBondContact O-N 3.06Å; N164-K167 WeakPolarHBondContact O-CB 3.39Å; N164-K167 PolarHBondContact O-N 3.26Å; D165-K167 VanDerWaalsContact C-N 3.31Å; D165-K167 PolarHBondContact O-N 3.49Å; K167-L238 HydrophobicContact CD-CD1 4.45Å; K167-L238 HydrophobicContact CG-CD1 4.07Å; K167-L238 HydrophobicContact CG-CD2 4.34Å; K167-M243 HydrophobicContact CB-CG 4.47Å; K167-M243 HydrophobicContact CB-SD 3.87Å; K167-M243 HydrophobicContact CG-SD 4.41Å
168R88.3Confident92.6Very high104 Ų10427.2 Ų27.239%0.39212%0.123SC..Hα-helixtrans-64.6-45.5-178.4-175.4-179.969-129.3-6.7111.6N164 D165 L170 R280N164-R168 WeakPolarHBondContact O-CB 3.48Å; N164-R168 PolarHBondContact O-N 3.3Å; D165-R168 PolarHBondContact O-N 3.26Å; D165-R168 IonicContact OD1-CZ 3.13Å; D165-R168 IonicContact OD1-NH1 2.68Å; D165-R168 PolarHBondContact OD1-NH1 2.92Å; D165-R168 IonicContact OD1-NH2 2.84Å; D165-R168 PolarHBondContact OD1-NH2 3.31Å; D165-R168 IonicContact OD2-NH2 3.65Å; R168-L170 VanDerWaalsContact C-N 3.35Å; R168-R280 PolarHBondContact O-NH1 2.96Å
169E89.8Confident92.6Very high79 Ų7926.5 Ų26.537%0.36912%0.119SC..Hα-helixtrans-87.6-3-175.8-64.9-176.5-16500113.8D165 R171D165-E169 WeakPolarHBondContact O-CB 3.27Å; D165-E169 PolarHBondContact O-N 2.99Å; E169-R171 VanDerWaalsContact C-N 3.29Å; E169-R171 HydrophobicContact CB-CG 3.96Å; E169-R171 PolarHBondContact O-N 2.94Å; E169-R171 WeakPolarHBondContact OE2-CD 3.35Å; E169-R171 IonicContact OE2-CZ 3.38Å; E169-R171 IonicContact OE2-NE 2.7Å; E169-R171 PolarHBondContact OE2-NE 3.26Å
170L90.3Very high92.2Very high14 Ų1430 Ų307%0.07314%0.138CC..THydrogen-bonded Turntrans50.353.4-175.7-59.6173.4000110.6A166 R168 L238 L273 E276 R277A166-L170 WeakPolarHBondContact O-CA 3.44Å; A166-L170 PolarHBondContact O-N 3.33Å; R168-L170 VanDerWaalsContact C-N 3.35Å; L170-L238 HydrophobicContact CD2-CB 4.37Å; L170-L238 HydrophobicContact CD2-CD2 3.41Å; L170-L238 VanDerWaalsContact CD2-CD2 3.41Å; L170-L238 HydrophobicContact CD2-CG 4.49Å; L170-L273 HydrophobicContact CB-CD2 3.91Å; L170-L273 VanDerWaalsContact O-CD2 3.27Å; L170-L273 WeakPolarHBondContact O-CD2 3.28Å; L170-E276 HydrophobicContact CD2-CB 4.33Å; L170-R277 HydrophobicContact CB-CG 4.28Å; L170-R277 HydrophobicContact CD1-CB 4.3Å; L170-R277 HydrophobicContact CD1-CG 3.49Å; L170-R277 VanDerWaalsContact CD1-CG 3.49Å; L170-R277 PolarHBondContact O-NH2 3.19Å
171R92.6Very high91.7Very high110 Ų11034.9 Ų34.942%0.41516%0.163SC..  trans-117.3155.8177.6-69-172.6-177.1-156.63.1110.6A166 E169A166-R171 PolarHBondContact O-N 2.92Å; A166-R171 VanDerWaalsContact O-N 3.1Å; E169-R171 VanDerWaalsContact C-N 3.29Å; E169-R171 HydrophobicContact CB-CG 3.96Å; E169-R171 PolarHBondContact O-N 2.94Å; E169-R171 WeakPolarHBondContact OE2-CD 3.35Å; E169-R171 IonicContact OE2-CZ 3.38Å; E169-R171 IonicContact OE2-NE 2.7Å; E169-R171 PolarHBondContact OE2-NE 3.26Å
172Y95.3Very high91.4Very high15 Ų1532.6 Ų32.66%0.05915%0.152CC..EExtended strand (participates in β ladder)trans-69.9142168.5-60.8-89.1000109.7M206 L207 M235 M237 M266 L273Y172-M206 WeakPolarHBondContact O-CA 3.32Å; Y172-M206 VanDerWaalsContact O-CB 3.28Å; Y172-M206 WeakPolarHBondContact O-CB 3.46Å; Y172-L207 PolarHBondContact O-N 2.88Å; Y172-M235 HydrophobicContact CD1-CG 4.04Å; Y172-M235 HydrophobicContact CD1-SD 3.62Å; Y172-M235 HydrophobicContact CE1-SD 4.07Å; Y172-M235 HydrophobicContact CG-SD 4.34Å; Y172-M237 HydrophobicContact CD1-CB 3.87Å; Y172-M237 HydrophobicContact CD1-CG 4.4Å; Y172-M237 HydrophobicContact CD1-SD 4.12Å; Y172-M237 HydrophobicContact CE1-CB 4.17Å; Y172-M237 HydrophobicContact CE1-CG 4.32Å; Y172-M237 HydrophobicContact CE1-SD 3.47Å; Y172-M237 WeakPolarHBondContact CE1-SD 3.5Å; Y172-M266 HydrophobicContact CD1-CG 4.42Å; Y172-M266 HydrophobicContact CD2-CE 3.77Å; Y172-M266 HydrophobicContact CD2-CG 4.24Å; Y172-M266 HydrophobicContact CE1-CG 4.14Å; Y172-M266 HydrophobicContact CE2-CB 4.36Å; Y172-M266 HydrophobicContact CE2-CE 3.63Å; Y172-M266 HydrophobicContact CE2-CG 3.98Å; Y172-M266 HydrophobicContact CG-CG 4.46Å; Y172-M266 PolarHBondContact OH-O 3.02Å; Y172-M266 VanDerWaalsContact OH-O 3.06Å; Y172-L273 HydrophobicContact CD1-CD1 4.25Å; Y172-L273 HydrophobicContact CD2-CD1 4.09Å; Y172-L273 HydrophobicContact CE1-CD1 3.65Å; Y172-L273 HydrophobicContact CE2-CD1 3.42Å; Y172-L273 VanDerWaalsContact CE2-CD1 3.42Å; Y172-L273 HydrophobicContact CG-CD1 4.45Å; Y172-L273 WeakPolarHBondContact OH-CD1 3.36Å
173L96.8Very high90.9Very high0 Ų036.6 Ų36.60%017%0.171CC..EExtended strand (participates in β ladder)trans-112.3121.4169.7174.866.9000108.4A162 L163 A166 V175 L207 W209 I236A162-L173 HydrophobicContact CB-CD1 3.94Å; A162-L173 HydrophobicContact CB-CD2 4.26Å; L163-L173 HydrophobicContact CD2-CD2 3.66Å; L163-L173 HydrophobicContact CG-CD2 3.96Å; A166-L173 HydrophobicContact CB-CB 3.84Å; L173-V175 HydrophobicContact CD2-CG2 4.12Å; L173-V175 HydrophobicContact CG-CG2 4.09Å; L173-L207 CarbonylContact C-O 3.44Å; L173-L207 WeakPolarHBondContact CA-O 3.48Å; L173-L207 HydrophobicContact CD1-CB 3.89Å; L173-W209 HydrophobicContact CD1-CB 4Å; L173-I236 HydrophobicContact CB-CB 4.35Å; L173-I236 HydrophobicContact CD2-CD1 4.44Å; L173-I236 PolarHBondContact N-O 2.86Å; L173-I236 PolarHBondContact O-N 3.13Å
174L97.5Very high90.5Very high1 Ų137.9 Ų37.91%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-101.5118.7171.9-175.968.8000109.4L202 M206 L207 F208 W209 L233 A234 M235 L262L174-L202 HydrophobicContact CD2-CD1 4.25Å; L174-L202 HydrophobicContact CD2-CD2 3.36Å; L174-L202 HydrophobicContact CD2-CG 4.46Å; L174-M206 HydrophobicContact CB-CG 4.24Å; L174-M206 HydrophobicContact CB-SD 3.5Å; L174-M206 WeakPolarHBondContact CB-SD 3.25Å; L174-M206 HydrophobicContact CD2-SD 3.78Å; L174-M206 HydrophobicContact CG-SD 4.16Å; L174-L207 PolarHBondContact N-O 3.11Å; L174-F208 HydrophobicContact CB-CD2 4.04Å; L174-F208 HydrophobicContact CD2-CD2 3.82Å; L174-F208 HydrophobicContact CD2-CE2 3.89Å; L174-F208 HydrophobicContact CG-CD2 3.98Å; L174-F208 HydrophobicContact CG-CE2 4.14Å; L174-W209 PolarHBondContact O-N 3.39Å; L174-L233 HydrophobicContact CD1-CB 4.16Å; L174-L233 HydrophobicContact CD1-CD2 4.29Å; L174-L233 HydrophobicContact CD2-CD2 4.23Å; L174-L233 HydrophobicContact CG-CD2 4.2Å; L174-A234 WeakPolarHBondContact CA-O 3.36Å; L174-M235 HydrophobicContact CD1-CB 4.39Å; L174-L262 HydrophobicContact CD1-CD2 4.06Å; L174-L262 HydrophobicContact CD2-CD1 4.32Å
175V97Very high90.5Very high0 Ų035.5 Ų35.50%017%0.165CC..EExtended strand (participates in β ladder)trans-101.2121.6178.71700000109.2Y159 L173 L177 W209 V221 L225 L233 A234 I236Y159-V175 HydrophobicContact CD2-CG2 4.39Å; Y159-V175 HydrophobicContact CE2-CG2 3.93Å; L173-V175 HydrophobicContact CD2-CG2 4.12Å; L173-V175 HydrophobicContact CG-CG2 4.09Å; V175-L177 HydrophobicContact CG1-CD2 4.37Å; V175-L177 HydrophobicContact CG1-CG 4.32Å; V175-W209 CarbonylContact C-O 3.57Å; V175-W209 WeakPolarHBondContact CA-O 3.48Å; V175-W209 HydrophobicContact CB-CE3 4.36Å; V175-W209 HydrophobicContact CG1-CE3 3.7Å; V175-W209 HydrophobicContact CG1-CZ3 3.84Å; V175-W209 HydrophobicContact CG2-CE3 4.23Å; V175-V221 HydrophobicContact CG1-CG1 4.16Å; V175-L225 HydrophobicContact CB-CD1 4.32Å; V175-L225 HydrophobicContact CG1-CD1 3.68Å; V175-L233 CarbonylContact O-C 3.41Å; V175-L233 VanDerWaalsContact O-CA 3.28Å; V175-L233 WeakPolarHBondContact O-CA 3.46Å; V175-A234 HydrophobicContact CB-CB 4.39Å; V175-A234 PolarHBondContact N-O 3.4Å; V175-A234 PolarHBondContact O-N 3.48Å; V175-I236 HydrophobicContact CG2-CD1 3.77Å
176Y96.5Very high90.4Very high0 Ų036.7 Ų36.70%017%0.171CC..EExtended strand (participates in β ladder)trans-107.2119.2172.8174.3-125.4000110.9F139 H178 F188 C189 L193 F208 W209 A210 C211 P231 F232 L233F139-Y176 HydrophobicContact CZ-CE1 4.43Å; Y176-H178 HydrophobicContact CD1-CB 4.48Å; Y176-H178 HydrophobicContact CE1-CB 3.78Å; Y176-H178 AromaticContact CE1-ND1 3.7Å; Y176-H178 AromaticContact CZ-ND1 3.67Å; Y176-H178 PolarHBondContact OH-ND1 3.29Å; Y176-F188 HydrophobicContact CD2-CE1 4.2Å; Y176-F188 HydrophobicContact CE2-CD1 4.06Å; Y176-F188 AromaticContact CE2-CE1 3.65Å; Y176-F188 HydrophobicContact CE2-CE1 3.65Å; Y176-C189 PolarHBondContact OH-SG 3.09Å; Y176-C189 VanDerWaalsContact OH-SG 3.32Å; Y176-L193 HydrophobicContact CD1-CD2 4.27Å; Y176-L193 HydrophobicContact CE1-CD2 4.16Å; Y176-F208 HydrophobicContact CD1-CZ 4.37Å; Y176-F208 HydrophobicContact CG-CZ 4.31Å; Y176-W209 PolarHBondContact N-O 3.37Å; Y176-A210 HydrophobicContact CD1-CB 3.83Å; Y176-A210 HydrophobicContact CG-CB 4.39Å; Y176-A210 VanDerWaalsContact O-CA 3.26Å; Y176-A210 WeakPolarHBondContact O-CA 3.34Å; Y176-C211 PolarHBondContact O-N 3.06Å; Y176-P231 HydrophobicContact CE2-CB 3.85Å; Y176-F232 WeakPolarHBondContact CD2-O 3.41Å; Y176-L233 HydrophobicContact CD2-CD2 3.71Å; Y176-L233 HydrophobicContact CD2-CG 4.29Å; Y176-L233 HydrophobicContact CG-CD2 4.06Å
177L94.6Very high90.3Very high0 Ų041.8 Ų41.80%020%0.195CC..EExtended strand (participates in β ladder)trans-99.3116.7172.2-64.8179.3000109.7V175 W209 T213 V221 L225 E227 Y230 F232V175-L177 HydrophobicContact CG1-CD2 4.37Å; V175-L177 HydrophobicContact CG1-CG 4.32Å; L177-W209 HydrophobicContact CD2-CZ3 4.14Å; L177-T213 HydrophobicContact CB-CG2 4.11Å; L177-V221 HydrophobicContact CD2-CB 4.2Å; L177-V221 HydrophobicContact CD2-CG1 4.03Å; L177-L225 HydrophobicContact CD1-CD1 4.38Å; L177-E227 HydrophobicContact CD1-CG 4.46Å; L177-Y230 HydrophobicContact CB-CE1 4.11Å; L177-Y230 WeakPolarHBondContact O-CD1 3.41Å; L177-F232 HydrophobicContact CB-CB 4.39Å; L177-F232 HydrophobicContact CB-CD1 4.17Å; L177-F232 HydrophobicContact CD1-CD1 3.73Å; L177-F232 HydrophobicContact CD1-CE1 4.13Å; L177-F232 HydrophobicContact CG-CD1 4.03Å; L177-F232 PolarHBondContact N-O 2.79Å
178H93.4Very high90.4Very high6 Ų640.1 Ų40.13%0.02819%0.188CC..EExtended strand (participates in β ladder)trans-92118.2-177.1-174.889.9000110.7F139 Y147 Y176 N180 T185 C211 S212 T213F139-H178 HydrophobicContact CE2-CB 3.55Å; F139-H178 AromaticContact CE2-CD2 3.83Å; F139-H178 AromaticContact CE2-CG 3.61Å; F139-H178 HydrophobicContact CZ-CB 3.79Å; Y147-H178 AromaticContact CE2-CE1 3.99Å; Y176-H178 HydrophobicContact CD1-CB 4.48Å; Y176-H178 HydrophobicContact CE1-CB 3.78Å; Y176-H178 AromaticContact CE1-ND1 3.7Å; Y176-H178 AromaticContact CZ-ND1 3.67Å; Y176-H178 PolarHBondContact OH-ND1 3.29Å; H178-N180 PolarHBondContact CD2-OD1 3.41Å; H178-N180 PolarHBondContact NE2-OD1 2.94Å; H178-T185 WeakPolarHBondContact CE1-CG2 3.26Å; H178-T185 VanDerWaalsContact ND1-CG2 3.27Å; H178-T185 WeakPolarHBondContact ND1-CG2 3.34Å; H178-C211 PolarHBondContact N-O 3.26Å; H178-S212 WeakPolarHBondContact O-CA 3.33Å; H178-T213 PolarHBondContact O-N 2.78Å; H178-T213 PolarHBondContact O-OG1 3.46Å
179G89.7Confident90.7Very high3 Ų335.1 Ų35.13%0.03117%0.169CC..  trans-96.396.4175.700000111.3D181 H182 T185G179-D181 PolarHBondContact O-N 3.01Å; G179-D181 VanDerWaalsContact O-N 3.11Å; G179-H182 PolarHBondContact O-N 3.43Å; G179-H182 VanDerWaalsContact O-N 3.11Å; G179-T185 WeakPolarHBondContact O-CB 3.27Å; G179-T185 PolarHBondContact O-OG1 3.46Å
180N82.6Confident90.8Very high74 Ų7438.3 Ų38.340%0.39618%0.178SC..THydrogen-bonded Turntrans-52.8-33-179.8-77.9-3000113.9H178 S212 S214H178-N180 PolarHBondContact CD2-OD1 3.41Å; H178-N180 PolarHBondContact NE2-OD1 2.94Å; N180-S212 PolarHBondContact ND2-OG 3.15Å; N180-S212 PolarHBondContact OD1-OG 3.21Å; N180-S214 PolarHBondContact ND2-OG 3.31Å; N180-S214 VanDerWaalsContact ND2-OG 3.08Å
181D80.6Confident90.8Very high114 Ų11439.6 Ų39.661%0.6119%0.187SC*.THydrogen-bonded Turntrans-95.1-2.6-173.1-60.2-46.2000113G179G179-D181 PolarHBondContact O-N 3.01Å; G179-D181 VanDerWaalsContact O-N 3.11Å
182H84.6Confident90.8Very high43 Ų4334.3 Ų34.320%0.19917%0.168CC..  trans-90.8128.8-175.1-162.8-85.1000111.2G179 D184 T185 T229 Y230G179-H182 PolarHBondContact O-N 3.43Å; G179-H182 VanDerWaalsContact O-N 3.11Å; H182-D184 IonicContact CE1-OD2 3.95Å; H182-D184 PolarHBondContact CE1-OD2 3.19Å; H182-D184 WeakPolarHBondContact ND1-CB 3.42Å; H182-D184 PolarHBondContact ND1-N 3.46Å; H182-D184 IonicContact ND1-OD2 3.75Å; H182-D184 PolarHBondContact O-N 3.38Å; H182-T185 WeakPolarHBondContact O-CB 3.42Å; H182-T185 PolarHBondContact O-N 2.84Å; H182-T185 PolarHBondContact O-OG1 3Å; H182-T229 PolarHBondContact NE2-OG1 3.04Å; H182-Y230 HydrophobicContact CB-CD2 4.23Å; H182-Y230 HydrophobicContact CB-CG 4.46Å; H182-Y230 PolarHBondContact CE1-O 2.91Å; H182-Y230 PolarHBondContact ND1-O 3.39Å
183Q81.8Confident90.7Very high83 Ų8333.7 Ų33.739%0.38817%0.165SC..THydrogen-bonded Turntrans-55.5-28.8-174.849.7163.14200114.4
184D84.9Confident90.6Very high31 Ų3134.9 Ų34.917%0.16617%0.173CC..THydrogen-bonded Turntrans-94.2-10.6-170.2-67.6-11.5000112.7H182 F188 V252H182-D184 IonicContact CE1-OD2 3.95Å; H182-D184 PolarHBondContact CE1-OD2 3.19Å; H182-D184 WeakPolarHBondContact ND1-CB 3.42Å; H182-D184 PolarHBondContact ND1-N 3.46Å; H182-D184 IonicContact ND1-OD2 3.75Å; H182-D184 PolarHBondContact O-N 3.38Å; D184-F188 PolarHBondContact O-N 2.76Å; D184-V252 HydrophobicContact CB-CG2 3.39Å
185T89.6Confident90.6Very high0 Ų036.8 Ų36.80%019%0.185CC..Hα-helixtrans-66.2-44.6-175.7-640000111.9H178 G179 H182 F188 C189H178-T185 WeakPolarHBondContact CE1-CG2 3.26Å; H178-T185 VanDerWaalsContact ND1-CG2 3.27Å; H178-T185 WeakPolarHBondContact ND1-CG2 3.34Å; G179-T185 WeakPolarHBondContact O-CB 3.27Å; G179-T185 PolarHBondContact O-OG1 3.46Å; H182-T185 WeakPolarHBondContact O-CB 3.42Å; H182-T185 PolarHBondContact O-N 2.84Å; H182-T185 PolarHBondContact O-OG1 3Å; T185-F188 PolarHBondContact O-N 3.02Å; T185-C189 PolarHBondContact O-N 3.47Å; T185-C189 PolarHBondContact O-SG 2.92Å
186D90.5Very high90.5Very high58 Ų5844.3 Ų44.331%0.3122%0.22SC..Hα-helixtrans-68.1-38.2-175.3-71.74.4000111.7K146 Y147 R190K146-D186 WeakPolarHBondContact CE-OD2 3.35Å; K146-D186 IonicContact NZ-OD1 3.33Å; K146-D186 PolarHBondContact NZ-OD1 3.22Å; K146-D186 IonicContact NZ-OD2 3.06Å; K146-D186 PolarHBondContact NZ-OD2 3.4Å; Y147-D186 HydrophobicContact CE1-CB 4.48Å; Y147-D186 PolarHBondContact OH-OD1 3.36Å; D186-R190 WeakPolarHBondContact O-CG 3.48Å; D186-R190 PolarHBondContact O-N 3.25Å
187E89.9Confident90.4Very high106 Ų10649.9 Ų49.950%0.49525%0.246SC..Hα-helixtrans-62-54.9174.5-176.7175.3173.100109.6C189 R190 S191 V252E187-C189 VanDerWaalsContact C-N 3.34Å; E187-C189 PolarHBondContact O-N 3.49Å; E187-R190 PolarHBondContact O-N 3.43Å; E187-R190 VanDerWaalsContact O-N 3.09Å; E187-S191 WeakPolarHBondContact O-CB 3.42Å; E187-S191 PolarHBondContact O-N 3.22Å; E187-S191 PolarHBondContact O-OG 2.82Å; E187-V252 HydrophobicContact CG-CG1 4.32Å
188F92.8Very high90.5Very high1 Ų150 Ų500%0.00425%0.247CC..Hα-helixtrans-55.4-43.7-180171.1-96.9000113.7Y176 D184 T185 R190 T192 L193 P231 L233 I253 L258Y176-F188 HydrophobicContact CD2-CE1 4.2Å; Y176-F188 HydrophobicContact CE2-CD1 4.06Å; Y176-F188 AromaticContact CE2-CE1 3.65Å; Y176-F188 HydrophobicContact CE2-CE1 3.65Å; D184-F188 PolarHBondContact O-N 2.76Å; T185-F188 PolarHBondContact O-N 3.02Å; F188-R190 PolarHBondContact O-N 3.3Å; F188-T192 HydrophobicContact CD2-CG2 4.07Å; F188-T192 HydrophobicContact CE2-CG2 3.73Å; F188-T192 WeakPolarHBondContact O-CA 3.39Å; F188-T192 VanDerWaalsContact O-CB 3.25Å; F188-T192 WeakPolarHBondContact O-CB 3.47Å; F188-T192 PolarHBondContact O-N 2.89Å; F188-L193 HydrophobicContact CE1-CB 4.05Å; F188-L193 HydrophobicContact CE1-CD2 4.35Å; F188-L193 HydrophobicContact CZ-CB 4.37Å; F188-L193 PolarHBondContact O-N 2.85Å; F188-P231 HydrophobicContact CB-CB 4.21Å; F188-P231 HydrophobicContact CB-CG 3.69Å; F188-P231 HydrophobicContact CD1-CB 3.61Å; F188-P231 HydrophobicContact CD1-CG 3.93Å; F188-P231 HydrophobicContact CD2-CB 4.35Å; F188-P231 HydrophobicContact CD2-CG 3.85Å; F188-P231 HydrophobicContact CE1-CB 4.06Å; F188-P231 HydrophobicContact CG-CB 3.78Å; F188-P231 HydrophobicContact CG-CG 3.53Å; F188-L233 HydrophobicContact CE2-CD1 4.36Å; F188-L233 HydrophobicContact CZ-CD1 3.89Å; F188-L233 HydrophobicContact CZ-CG 4.48Å; F188-I253 HydrophobicContact CD2-CG2 4.25Å; F188-I253 HydrophobicContact CE2-CG2 3.81Å; F188-L258 HydrophobicContact CE2-CD2 4.49Å
189C93.7Very high90.6Very high0 Ų050.9 Ų50.90%025%0.252CS..Iπ-helixtrans-60.5-46.6177.6-68.80000111.2F143 Y147 Y176 T185 E187 C194F143-C189 HydrophobicContact CE2-CB 4.15Å; F143-C189 HydrophobicContact CZ-CB 4.27Å; Y147-C189 HydrophobicContact CD1-CB 3.72Å; Y147-C189 HydrophobicContact CD2-CB 4.17Å; Y147-C189 HydrophobicContact CE1-CB 3.58Å; Y147-C189 HydrophobicContact CE2-CB 4.05Å; Y147-C189 HydrophobicContact CG-CB 4.02Å; Y176-C189 PolarHBondContact OH-SG 3.09Å; Y176-C189 VanDerWaalsContact OH-SG 3.32Å; T185-C189 PolarHBondContact O-N 3.47Å; T185-C189 PolarHBondContact O-SG 2.92Å; E187-C189 VanDerWaalsContact C-N 3.34Å; E187-C189 PolarHBondContact O-N 3.49Å; C189-C194 VanDerWaalsContact O-CB 3.29Å; C189-C194 WeakPolarHBondContact O-CB 3.42Å; C189-C194 PolarHBondContact O-N 2.77Å; C189-C194 PolarHBondContact O-SG 3.33Å
190R91.9Very high91Very high146 Ų14654.4 Ų54.455%0.55127%0.273SS*.Iπ-helixtrans-76.9-40.9-174.9-67.7-178.8-175.3-75.7-5.6113.8K146 Y147 D186 E187 F188K146-R190 PolarHBondContact O-NH2 2.9Å; Y147-R190 HydrophobicContact CD1-CG 3.73Å; Y147-R190 HydrophobicContact CE1-CG 4.19Å; D186-R190 WeakPolarHBondContact O-CG 3.48Å; D186-R190 PolarHBondContact O-N 3.25Å; E187-R190 PolarHBondContact O-N 3.43Å; E187-R190 VanDerWaalsContact O-N 3.09Å; F188-R190 PolarHBondContact O-N 3.3Å
191S90.2Very high91.7Very high40 Ų4052 Ų5228%0.2826%0.259SS..Iπ-helixtrans-91.4-24.5-173.464.40000113.4E187 T195 P255E187-S191 WeakPolarHBondContact O-CB 3.42Å; E187-S191 PolarHBondContact O-N 3.22Å; E187-S191 PolarHBondContact O-OG 2.82Å; S191-T195 PolarHBondContact O-OG1 3.48Å; S191-P255 VanDerWaalsContact O-CG 3.28Å; S191-P255 WeakPolarHBondContact O-CG 3.41Å
192T93.2Very high92.4Very high0 Ų046.7 Ų46.70%023%0.23CC..Iπ-helixtrans-119.1-59.8-171.7-50.80000112.5F188 C194 T195 V198 I253 L258F188-T192 HydrophobicContact CD2-CG2 4.07Å; F188-T192 HydrophobicContact CE2-CG2 3.73Å; F188-T192 WeakPolarHBondContact O-CA 3.39Å; F188-T192 VanDerWaalsContact O-CB 3.25Å; F188-T192 WeakPolarHBondContact O-CB 3.47Å; F188-T192 PolarHBondContact O-N 2.89Å; T192-C194 PolarHBondContact O-N 3.17Å; T192-T195 WeakPolarHBondContact O-CB 3.4Å; T192-T195 PolarHBondContact O-N 3.41Å; T192-V198 WeakPolarHBondContact O-CG2 3.36Å; T192-I253 WeakPolarHBondContact CB-O 3.43Å; T192-I253 HydrophobicContact CG2-CG2 4.34Å; T192-I253 WeakPolarHBondContact CG2-O 3.4Å; T192-I253 PolarHBondContact OG1-O 3.16Å; T192-L258 HydrophobicContact CG2-CB 4.27Å; T192-L258 HydrophobicContact CG2-CD2 3.68Å
193L94.1Very high93Very high1 Ų147.7 Ų47.71%0.00524%0.237CC..Iπ-helixtrans-70.2-36.7-170.4-16965.1000112.9F143 P152 Y176 F188 T195 L202 F208F143-L193 HydrophobicContact CE2-CD2 4.11Å; F143-L193 HydrophobicContact CZ-CD2 3.98Å; P152-L193 WeakPolarHBondContact CD-O 3.36Å; P152-L193 HydrophobicContact CG-CD1 3.85Å; P152-L193 HydrophobicContact CG-CG 4.17Å; Y176-L193 HydrophobicContact CD1-CD2 4.27Å; Y176-L193 HydrophobicContact CE1-CD2 4.16Å; F188-L193 HydrophobicContact CE1-CB 4.05Å; F188-L193 HydrophobicContact CE1-CD2 4.35Å; F188-L193 HydrophobicContact CZ-CB 4.37Å; F188-L193 PolarHBondContact O-N 2.85Å; L193-T195 VanDerWaalsContact C-N 3.28Å; L193-T195 PolarHBondContact O-N 3.21Å; L193-L202 HydrophobicContact CD1-CD1 4.14Å; L193-F208 HydrophobicContact CD1-CE1 4.32Å; L193-F208 HydrophobicContact CD1-CE2 4.49Å; L193-F208 HydrophobicContact CD1-CZ 3.78Å; L193-F208 HydrophobicContact CD2-CZ 4.2Å
194C94.6Very high93.6Very high25 Ų2548.8 Ų48.817%0.16925%0.25CC..THydrogen-bonded Turntrans-83.75.2-179.3-69.60000114.1S150 C189 T192 I199S150-C194 WeakPolarHBondContact O-CA 3.4Å; S150-C194 VanDerWaalsContact O-CB 3.23Å; S150-C194 WeakPolarHBondContact O-CB 3.4Å; S150-C194 PolarHBondContact O-SG 2.85Å; C189-C194 VanDerWaalsContact O-CB 3.29Å; C189-C194 WeakPolarHBondContact O-CB 3.42Å; C189-C194 PolarHBondContact O-N 2.77Å; C189-C194 PolarHBondContact O-SG 3.33Å; T192-C194 PolarHBondContact O-N 3.17Å; C194-I199 WeakPolarHBondContact O-CD1 3.48Å
195T95.8Very high94Very high42 Ų4252.9 Ų52.926%0.25826%0.263SS..SBendtrans-79.1136178.8-58.80000110.9S191 T192 L193 E197 V198 I199 P255S191-T195 PolarHBondContact O-OG1 3.48Å; T192-T195 WeakPolarHBondContact O-CB 3.4Å; T192-T195 PolarHBondContact O-N 3.41Å; L193-T195 VanDerWaalsContact C-N 3.28Å; L193-T195 PolarHBondContact O-N 3.21Å; T195-E197 VanDerWaalsContact C-N 3.3Å; T195-E197 PolarHBondContact O-N 3.06Å; T195-V198 PolarHBondContact O-N 3.26Å; T195-I199 WeakPolarHBondContact O-CG1 3.37Å; T195-I199 PolarHBondContact O-N 2.9Å; T195-P255 HydrophobicContact CG2-CB 4.27Å; T195-P255 HydrophobicContact CG2-CG 4.33Å
196E95.1Very high94.2Very high158 Ų15853.2 Ų53.274%0.73826%0.264SS*.Hα-helixtrans-56.5-38.7-173.1-171.7177.5178.400113.8V198 I199 T200E196-V198 PolarHBondContact O-N 3.31Å; E196-I199 PolarHBondContact O-N 2.94Å; E196-T200 WeakPolarHBondContact O-CB 3.48Å; E196-T200 PolarHBondContact O-N 2.93Å; E196-T200 PolarHBondContact O-OG1 3.14Å
197E95.7Very high94.5Very high117 Ų11751.9 Ų51.955%0.54726%0.257SS..Hα-helixtrans-61.7-44177.2-62.4179.5179.400111.8T195 F201 I259T195-E197 VanDerWaalsContact C-N 3.3Å; T195-E197 PolarHBondContact O-N 3.06Å; E197-F201 VanDerWaalsContact O-CB 3.27Å; E197-F201 WeakPolarHBondContact O-CB 3.44Å; E197-F201 PolarHBondContact O-N 2.87Å; E197-I259 HydrophobicContact CB-CD1 3.97Å
198V96.1Very high94.9Very high1 Ų147.1 Ų47.11%0.00624%0.235CC..Hα-helixtrans-69-43.9178.4174.40000110.3T192 T195 E196 T200 F201 L202 P255 L258 I259T192-V198 WeakPolarHBondContact O-CG2 3.36Å; T195-V198 PolarHBondContact O-N 3.26Å; E196-V198 PolarHBondContact O-N 3.31Å; V198-T200 PolarHBondContact O-N 3.41Å; V198-F201 PolarHBondContact O-N 2.86Å; V198-L202 HydrophobicContact CG1-CD1 3.74Å; V198-L202 HydrophobicContact CG1-CG 4.15Å; V198-L202 WeakPolarHBondContact O-CB 3.39Å; V198-L202 VanDerWaalsContact O-CG 3.26Å; V198-L202 WeakPolarHBondContact O-CG 3.33Å; V198-L202 PolarHBondContact O-N 2.74Å; V198-P255 HydrophobicContact CG2-CB 3.93Å; V198-L258 HydrophobicContact CG1-CD2 3.93Å; V198-L258 HydrophobicContact CG2-CD2 4.39Å; V198-I259 HydrophobicContact CG2-CD1 4.06Å; V198-I259 HydrophobicContact CG2-CG1 4.16Å
199I96.4Very high95.1Very high26 Ų2647 Ų4713%0.13323%0.234CC..Hα-helixtrans-57-50.9177.1-66.4170.8000110.5P152 C194 T195 E196 F201 L202 N203P152-I199 HydrophobicContact CG-CG1 4.11Å; C194-I199 WeakPolarHBondContact O-CD1 3.48Å; T195-I199 WeakPolarHBondContact O-CG1 3.37Å; T195-I199 PolarHBondContact O-N 2.9Å; E196-I199 PolarHBondContact O-N 2.94Å; I199-F201 PolarHBondContact O-N 3.16Å; I199-L202 PolarHBondContact O-N 3.17Å; I199-N203 WeakPolarHBondContact CG2-ND2 3.45Å; I199-N203 WeakPolarHBondContact O-CB 3.26Å; I199-N203 PolarHBondContact O-N 2.71Å; I199-N203 PolarHBondContact O-ND2 3.31Å
200T96.6Very high95.2Very high77 Ų7747 Ų4747%0.47223%0.234SC..Hα-helixtrans-63.1-43.2-178.8-56.90000111.2E196 V198 T204E196-T200 WeakPolarHBondContact O-CB 3.48Å; E196-T200 PolarHBondContact O-N 2.93Å; E196-T200 PolarHBondContact O-OG1 3.14Å; V198-T200 PolarHBondContact O-N 3.41Å; T200-T204 WeakPolarHBondContact O-CB 3.48Å; T200-T204 PolarHBondContact O-N 3.05Å; T200-T204 PolarHBondContact O-OG1 3.1Å
201F96.8Very high95.3Very high24 Ų2440.1 Ų40.111%0.10521%0.208CC..Hα-helixtrans-61.5-50177.7178.7-96000112.1E197 V198 I199 T204 R205 M206 I259 L262 T263 M266E197-F201 VanDerWaalsContact O-CB 3.27Å; E197-F201 WeakPolarHBondContact O-CB 3.44Å; E197-F201 PolarHBondContact O-N 2.87Å; V198-F201 PolarHBondContact O-N 2.86Å; I199-F201 PolarHBondContact O-N 3.16Å; F201-T204 PolarHBondContact O-N 3.23Å; F201-R205 HydrophobicContact CD2-CG 4.46Å; F201-R205 HydrophobicContact CE2-CG 4.33Å; F201-R205 WeakPolarHBondContact O-CB 3.46Å; F201-R205 WeakPolarHBondContact O-CG 3.45Å; F201-R205 PolarHBondContact O-N 3.45Å; F201-R205 VanDerWaalsContact O-N 3.15Å; F201-M206 HydrophobicContact CD1-CE 4.5Å; F201-M206 HydrophobicContact CE1-CE 3.78Å; F201-M206 HydrophobicContact CZ-CE 4.43Å; F201-I259 HydrophobicContact CB-CG1 4.42Å; F201-I259 HydrophobicContact CD1-CG1 4.43Å; F201-I259 HydrophobicContact CD2-CG2 3.94Å; F201-I259 HydrophobicContact CE2-CG2 4.03Å; F201-I259 HydrophobicContact CG-CG1 4.31Å; F201-I259 HydrophobicContact CG-CG2 4.27Å; F201-I259 HydrophobicContact CZ-CG2 4.45Å; F201-L262 HydrophobicContact CD1-CD1 4.33Å; F201-L262 HydrophobicContact CE1-CB 3.77Å; F201-L262 HydrophobicContact CE1-CD1 3.84Å; F201-L262 HydrophobicContact CE1-CG 4.48Å; F201-L262 HydrophobicContact CZ-CB 4.13Å; F201-T263 WeakPolarHBondContact CE2-OG1 3.47Å; F201-T263 WeakPolarHBondContact CZ-OG1 3.22Å; F201-M266 HydrophobicContact CZ-SD 4.06Å
202L96.6Very high95.4Very high1 Ų138.3 Ų38.31%0.00520%0.196CC..Hα-helixtrans-64.2-48.9-177.7-69.3-180000111.8P152 L174 L193 V198 I199 T204 R205 M206 F208 L262P152-L202 HydrophobicContact CB-CB 4.13Å; P152-L202 HydrophobicContact CB-CD1 3.93Å; P152-L202 HydrophobicContact CG-CD1 3.56Å; L174-L202 HydrophobicContact CD2-CD1 4.25Å; L174-L202 HydrophobicContact CD2-CD2 3.36Å; L174-L202 HydrophobicContact CD2-CG 4.46Å; L193-L202 HydrophobicContact CD1-CD1 4.14Å; V198-L202 HydrophobicContact CG1-CD1 3.74Å; V198-L202 HydrophobicContact CG1-CG 4.15Å; V198-L202 WeakPolarHBondContact O-CB 3.39Å; V198-L202 VanDerWaalsContact O-CG 3.26Å; V198-L202 WeakPolarHBondContact O-CG 3.33Å; V198-L202 PolarHBondContact O-N 2.74Å; I199-L202 PolarHBondContact O-N 3.17Å; L202-T204 PolarHBondContact O-N 2.9Å; L202-R205 PolarHBondContact O-N 3.06Å; L202-M206 HydrophobicContact CD2-CE 4.14Å; L202-M206 HydrophobicContact CD2-CG 4.03Å; L202-M206 HydrophobicContact CD2-SD 3.46Å; L202-M206 WeakPolarHBondContact CD2-SD 3.21Å; L202-M206 WeakPolarHBondContact O-CG 3.45Å; L202-M206 PolarHBondContact O-N 2.91Å; L202-M206 VanDerWaalsContact O-N 3.12Å; L202-M206 VanDerWaalsContact O-O 3.06Å; L202-F208 HydrophobicContact CD1-CD2 4.44Å; L202-F208 HydrophobicContact CD1-CE2 4.45Å; L202-L262 HydrophobicContact CD2-CD1 3.89Å
203N95.9Very high95.3Very high65 Ų6539 Ų3935%0.34820%0.2SC..Hα-helixtrans-60.9-31.6-178.5-69.6-15.3000112.9V153 I199V153-N203 PolarHBondContact N-OD1 3.12Å; I199-N203 WeakPolarHBondContact CG2-ND2 3.45Å; I199-N203 WeakPolarHBondContact O-CB 3.26Å; I199-N203 PolarHBondContact O-N 2.71Å; I199-N203 PolarHBondContact O-ND2 3.31Å
204T94.8Very high95Very high106 Ų10640.6 Ų40.665%0.6521%0.211SC*.Hα-helixtrans-83.4-35-177.3-53.40000112.2T200 F201 L202T200-T204 WeakPolarHBondContact O-CB 3.48Å; T200-T204 PolarHBondContact O-N 3.05Å; T200-T204 PolarHBondContact O-OG1 3.1Å; F201-T204 PolarHBondContact O-N 3.23Å; L202-T204 PolarHBondContact O-N 2.9Å
205R93.3Very high94.7Very high117 Ų11742.5 Ų42.544%0.44222%0.217SC..Hα-helixtrans-105.1-21-165-64.3-141.8-178.3-144.82.3115.2F201 L202 M266F201-R205 HydrophobicContact CD2-CG 4.46Å; F201-R205 HydrophobicContact CE2-CG 4.33Å; F201-R205 WeakPolarHBondContact O-CB 3.46Å; F201-R205 WeakPolarHBondContact O-CG 3.45Å; F201-R205 PolarHBondContact O-N 3.45Å; F201-R205 VanDerWaalsContact O-N 3.15Å; L202-R205 PolarHBondContact O-N 3.06Å; R205-M266 HydrophobicContact CB-CE 3.98Å; R205-M266 HydrophobicContact CB-SD 4.38Å; R205-M266 HydrophobicContact CG-CE 4.43Å
206M95Very high94.4Very high7 Ų741.5 Ų41.53%0.03421%0.211CC..EExtended strand (participates in β ladder)trans-153.3162.6-171.258.8-166.275.400113.4Y172 L174 F201 L202 M235 M266Y172-M206 WeakPolarHBondContact O-CA 3.32Å; Y172-M206 VanDerWaalsContact O-CB 3.28Å; Y172-M206 WeakPolarHBondContact O-CB 3.46Å; L174-M206 HydrophobicContact CB-CG 4.24Å; L174-M206 HydrophobicContact CB-SD 3.5Å; L174-M206 WeakPolarHBondContact CB-SD 3.25Å; L174-M206 HydrophobicContact CD2-SD 3.78Å; L174-M206 HydrophobicContact CG-SD 4.16Å; F201-M206 HydrophobicContact CD1-CE 4.5Å; F201-M206 HydrophobicContact CE1-CE 3.78Å; F201-M206 HydrophobicContact CZ-CE 4.43Å; L202-M206 HydrophobicContact CD2-CE 4.14Å; L202-M206 HydrophobicContact CD2-CG 4.03Å; L202-M206 HydrophobicContact CD2-SD 3.46Å; L202-M206 WeakPolarHBondContact CD2-SD 3.21Å; L202-M206 WeakPolarHBondContact O-CG 3.45Å; L202-M206 PolarHBondContact O-N 2.91Å; L202-M206 VanDerWaalsContact O-N 3.12Å; L202-M206 VanDerWaalsContact O-O 3.06Å; M206-M235 HydrophobicContact CE-CE 4.3Å; M206-M266 HydrophobicContact CE-SD 3.78Å
207L96.6Very high94.1Very high30 Ų3034 Ų3416%0.15718%0.176CC..EExtended strand (participates in β ladder)trans-80.6134.1165.1-61179.6000108.4D165 A166 Y172 L173 L174D165-L207 HydrophobicContact CB-CD1 4.23Å; A166-L207 HydrophobicContact CB-CD1 4.08Å; Y172-L207 PolarHBondContact O-N 2.88Å; L173-L207 CarbonylContact C-O 3.44Å; L173-L207 WeakPolarHBondContact CA-O 3.48Å; L173-L207 HydrophobicContact CD1-CB 3.89Å; L174-L207 PolarHBondContact N-O 3.11Å
208F97.6Very high93.7Very high5 Ų528.4 Ų28.42%0.02215%0.15CC..EExtended strand (participates in β ladder)trans-114114.7-179.1-175.5-122000110.6P152 F154 Y155 L174 Y176 L193 L202 L233P152-F208 HydrophobicContact CB-CD1 3.7Å; P152-F208 HydrophobicContact CB-CE1 3.95Å; P152-F208 HydrophobicContact CB-CG 4.35Å; P152-F208 HydrophobicContact CG-CD1 4.34Å; P152-F208 HydrophobicContact CG-CE1 4.1Å; F154-F208 AromaticContact CD1-CD1 3.67Å; F154-F208 HydrophobicContact CD1-CD1 3.67Å; F154-F208 AromaticContact CD1-CE1 3.53Å; F154-F208 HydrophobicContact CD1-CE1 3.53Å; F154-F208 AromaticContact CE1-CD1 3.92Å; F154-F208 HydrophobicContact CE1-CD1 3.92Å; F154-F208 AromaticContact CE1-CE1 3.26Å; F154-F208 HydrophobicContact CE1-CE1 3.26Å; F154-F208 HydrophobicContact CE1-CZ 4.13Å; F154-F208 HydrophobicContact CZ-CE1 4.19Å; Y155-F208 WeakPolarHBondContact CB-O 3.49Å; Y155-F208 PolarHBondContact N-O 3.41Å; L174-F208 HydrophobicContact CB-CD2 4.04Å; L174-F208 HydrophobicContact CD2-CD2 3.82Å; L174-F208 HydrophobicContact CD2-CE2 3.89Å; L174-F208 HydrophobicContact CG-CD2 3.98Å; L174-F208 HydrophobicContact CG-CE2 4.14Å; Y176-F208 HydrophobicContact CD1-CZ 4.37Å; Y176-F208 HydrophobicContact CG-CZ 4.31Å; L193-F208 HydrophobicContact CD1-CE1 4.32Å; L193-F208 HydrophobicContact CD1-CE2 4.49Å; L193-F208 HydrophobicContact CD1-CZ 3.78Å; L193-F208 HydrophobicContact CD2-CZ 4.2Å; L202-F208 HydrophobicContact CD1-CD2 4.44Å; L202-F208 HydrophobicContact CD1-CE2 4.45Å; F208-L233 HydrophobicContact CE2-CD2 4.4Å
209W97.4Very high93.3Very high0 Ų032.3 Ų32.30%017%0.165CC..EExtended strand (participates in β ladder)trans-114.9136.9177.9-177.288.6000109.9V136 G157 Y159 A162 L173 L174 V175 Y176 L177 C211 E217 V221V136-W209 HydrophobicContact CG2-CZ2 3.94Å; G157-W209 PolarHBondContact O-NE1 3.33Å; Y159-W209 HydrophobicContact CD2-CD2 4.42Å; Y159-W209 HydrophobicContact CD2-CE3 4.27Å; Y159-W209 HydrophobicContact CD2-CZ3 4.34Å; A162-W209 HydrophobicContact CB-CB 4.22Å; A162-W209 HydrophobicContact CB-CG 4.21Å; L173-W209 HydrophobicContact CD1-CB 4Å; L174-W209 PolarHBondContact O-N 3.39Å; V175-W209 CarbonylContact C-O 3.57Å; V175-W209 WeakPolarHBondContact CA-O 3.48Å; V175-W209 HydrophobicContact CB-CE3 4.36Å; V175-W209 HydrophobicContact CG1-CE3 3.7Å; V175-W209 HydrophobicContact CG1-CZ3 3.84Å; V175-W209 HydrophobicContact CG2-CE3 4.23Å; Y176-W209 PolarHBondContact N-O 3.37Å; L177-W209 HydrophobicContact CD2-CZ3 4.14Å; W209-C211 HydrophobicContact CH2-CB 3.4Å; W209-C211 VanDerWaalsContact CH2-CB 3.4Å; W209-C211 HydrophobicContact CZ2-CB 3.73Å; W209-C211 HydrophobicContact CZ3-CB 4.02Å; W209-E217 HydrophobicContact CH2-CG 4.47Å; W209-E217 HydrophobicContact CZ2-CG 3.97Å; W209-V221 HydrophobicContact CH2-CB 4.06Å; W209-V221 HydrophobicContact CH2-CG1 4.27Å; W209-V221 HydrophobicContact CH2-CG2 3.61Å; W209-V221 HydrophobicContact CZ2-CG2 4.34Å; W209-V221 HydrophobicContact CZ3-CB 4.21Å; W209-V221 HydrophobicContact CZ3-CG1 3.93Å; W209-V221 HydrophobicContact CZ3-CG2 4.11Å
210A95.7Very high92.9Very high0 Ų033.4 Ų33.40%017%0.167CC..EExtended strand (participates in β ladder)trans-143.9145.2-179.400000112.3F139 F154 Y176F139-A210 HydrophobicContact CD1-CB 4.36Å; F139-A210 HydrophobicContact CE1-CB 3.57Å; F139-A210 HydrophobicContact CZ-CB 4.3Å; F154-A210 HydrophobicContact CD1-CB 3.53Å; F154-A210 HydrophobicContact CE1-CB 3.45Å; F154-A210 VanDerWaalsContact CE1-CB 3.45Å; Y176-A210 HydrophobicContact CD1-CB 3.83Å; Y176-A210 HydrophobicContact CG-CB 4.39Å; Y176-A210 VanDerWaalsContact O-CA 3.26Å; Y176-A210 WeakPolarHBondContact O-CA 3.34Å
211C94.5Very high92.5Very high0 Ų029.8 Ų29.80%015%0.145CC..EExtended strand (participates in β ladder)trans-154.1152.4172.1-163.10000111V136 Y176 H178 W209 G218V136-C211 HydrophobicContact CG2-CB 4.42Å; Y176-C211 PolarHBondContact O-N 3.06Å; H178-C211 PolarHBondContact N-O 3.26Å; W209-C211 HydrophobicContact CH2-CB 3.4Å; W209-C211 VanDerWaalsContact CH2-CB 3.4Å; W209-C211 HydrophobicContact CZ2-CB 3.73Å; W209-C211 HydrophobicContact CZ3-CB 4.02Å; C211-G218 PolarHBondContact SG-N 3.04Å
212S92.5Very high92.2Very high2 Ų228.7 Ų28.71%0.01414%0.141CC..EExtended strand (participates in β ladder)trans-77.6137.6172.7175.20000111.6H178 N180 S214 K215 G218H178-S212 WeakPolarHBondContact O-CA 3.33Å; N180-S212 PolarHBondContact ND2-OG 3.15Å; N180-S212 PolarHBondContact OD1-OG 3.21Å; S212-S214 PolarHBondContact O-N 3.12Å; S212-S214 WeakPolarHBondContact OG-CB 3.27Å; S212-S214 PolarHBondContact OG-N 2.86Å; S212-S214 VanDerWaalsContact OG-N 3.08Å; S212-S214 PolarHBondContact OG-OG 3.47Å; S212-K215 WeakPolarHBondContact O-CB 3.27Å; S212-K215 PolarHBondContact O-N 2.89Å; S212-G218 WeakPolarHBondContact O-CA 3.45Å
213T90.2Very high91.6Very high15 Ų1534 Ų349%0.09217%0.165CC..THydrogen-bonded Turntrans-71.7-5.5173.364.90000113.2R126 L177 H178 K215 Y230R126-T213 PolarHBondContact NH1-O 3.41Å; L177-T213 HydrophobicContact CB-CG2 4.11Å; H178-T213 PolarHBondContact O-N 2.78Å; H178-T213 PolarHBondContact O-OG1 3.46Å; T213-K215 VanDerWaalsContact C-N 3.3Å; T213-Y230 HydrophobicContact CG2-CE1 3.62Å; T213-Y230 WeakPolarHBondContact CG2-OH 3.5Å
214S87.4Confident91Very high35 Ų3531.9 Ų31.925%0.24516%0.156CC..THydrogen-bonded Turntrans-74.4-21.1167.770.50000113.4R126 N180 S212R126-S214 PolarHBondContact NE-O 3.17Å; N180-S214 PolarHBondContact ND2-OG 3.31Å; N180-S214 VanDerWaalsContact ND2-OG 3.08Å; S212-S214 PolarHBondContact O-N 3.12Å; S212-S214 WeakPolarHBondContact OG-CB 3.27Å; S212-S214 PolarHBondContact OG-N 2.86Å; S212-S214 VanDerWaalsContact OG-N 3.08Å; S212-S214 PolarHBondContact OG-OG 3.47Å
215K89.5Confident90.6Very high65 Ų6526.8 Ų26.828%0.28313%0.125SC..SBendtrans-94.1148.9-179.9-61.2-73.2-179.8155.40110.9D135 S138 S212 T213 E217 G218 Y219D135-K215 HydrophobicContact CB-CB 4.11Å; S138-K215 WeakPolarHBondContact OG-CE 3.26Å; S138-K215 PolarHBondContact OG-NZ 3.46Å; S212-K215 WeakPolarHBondContact O-CB 3.27Å; S212-K215 PolarHBondContact O-N 2.89Å; T213-K215 VanDerWaalsContact C-N 3.3Å; K215-E217 VanDerWaalsContact C-N 3.35Å; K215-E217 PolarHBondContact O-N 2.98Å; K215-G218 PolarHBondContact O-N 2.94Å; K215-Y219 WeakPolarHBondContact O-CB 3.45Å; K215-Y219 PolarHBondContact O-N 3.28Å
216P87.9Confident90.2Very high21 Ų2130.2 Ų30.214%0.13614%0.138CC..Hα-helixtrans-52-45.5177.5-26.831.5000114.4V129 D135 Y219 R220V129-P216 HydrophobicContact CB-CB 4.14Å; V129-P216 HydrophobicContact CG1-CB 4.34Å; V129-P216 HydrophobicContact CG2-CB 3.76Å; D135-P216 WeakPolarHBondContact OD2-CB 3.5Å; D135-P216 VanDerWaalsContact OD2-CD 3.22Å; D135-P216 WeakPolarHBondContact OD2-CD 3.28Å; P216-Y219 PolarHBondContact O-N 3.46Å; P216-R220 WeakPolarHBondContact O-CB 3.46Å; P216-R220 PolarHBondContact O-N 2.89Å
217E88.7Confident89.5Confident0 Ų031.2 Ų31.20%014%0.143CC..Hα-helixtrans-63.4-48.9179.2-177.166.617300112.5P132 D135 V136 Y159 W209 K215 Y219 R220 V221P132-E217 HydrophobicContact CB-CB 4.32Å; P132-E217 HydrophobicContact CB-CG 4.19Å; P132-E217 WeakPolarHBondContact CB-OE2 3.46Å; D135-E217 HydrophobicContact CB-CB 3.93Å; D135-E217 PolarHBondContact OD2-N 3.03Å; D135-E217 VanDerWaalsContact OD2-N 3.13Å; V136-E217 HydrophobicContact CG2-CG 4.21Å; Y159-E217 WeakPolarHBondContact CB-OE1 3.43Å; Y159-E217 PolarHBondContact N-OE1 2.91Å; Y159-E217 VanDerWaalsContact N-OE1 3.16Å; W209-E217 HydrophobicContact CH2-CG 4.47Å; W209-E217 HydrophobicContact CZ2-CG 3.97Å; K215-E217 VanDerWaalsContact C-N 3.35Å; K215-E217 PolarHBondContact O-N 2.98Å; E217-Y219 PolarHBondContact O-N 2.98Å; E217-R220 WeakPolarHBondContact O-CB 3.38Å; E217-R220 PolarHBondContact O-N 3.05Å; E217-R220 IonicContact OE1-NH2 2.66Å; E217-R220 PolarHBondContact OE1-NH2 3.42Å; E217-R220 IonicContact OE2-CZ 2.68Å; E217-R220 IonicContact OE2-NE 2.66Å; E217-R220 PolarHBondContact OE2-NE 3.25Å; E217-R220 IonicContact OE2-NH2 3.36Å; E217-R220 PolarHBondContact OE2-NH2 2.85Å; E217-V221 WeakPolarHBondContact O-CG2 3.38Å; E217-V221 PolarHBondContact O-N 2.92Å; E217-V221 VanDerWaalsContact O-N 3.1Å
218G88.9Confident88.6Confident0 Ų036.3 Ų36.30%017%0.17CC..Hα-helixtrans-64.2-38.6178.600000112.8C211 S212 K215 V221 S222C211-G218 PolarHBondContact SG-N 3.04Å; S212-G218 WeakPolarHBondContact O-CA 3.45Å; K215-G218 PolarHBondContact O-N 2.94Å; G218-V221 PolarHBondContact O-N 2.9Å; G218-S222 VanDerWaalsContact O-CB 3.27Å; G218-S222 WeakPolarHBondContact O-CB 3.43Å; G218-S222 PolarHBondContact O-N 3.26Å
219Y87.8Confident87.9Confident82 Ų8237.9 Ų37.932%0.32218%0.181SC..Hα-helixtrans-62.5-41.7173.8-176.7-107.9000111.9R126 K215 P216 E217 V221 S222 Q223R126-Y219 HydrophobicContact CB-CD1 3.97Å; R126-Y219 HydrophobicContact CB-CG 4.19Å; K215-Y219 WeakPolarHBondContact O-CB 3.45Å; K215-Y219 PolarHBondContact O-N 3.28Å; P216-Y219 PolarHBondContact O-N 3.46Å; E217-Y219 PolarHBondContact O-N 2.98Å; Y219-V221 PolarHBondContact O-N 3.39Å; Y219-S222 VanDerWaalsContact O-CB 3.24Å; Y219-S222 WeakPolarHBondContact O-CB 3.26Å; Y219-S222 PolarHBondContact O-N 3.44Å; Y219-S222 PolarHBondContact O-OG 3.05Å; Y219-Q223 HydrophobicContact CD1-CG 4.48Å; Y219-Q223 HydrophobicContact CE1-CG 4.11Å; Y219-Q223 WeakPolarHBondContact O-CG 3.45Å; Y219-Q223 PolarHBondContact O-N 2.78Å
220R86.6Confident87.4Confident50 Ų5040 Ų4019%0.18919%0.189CC..Hα-helixtrans-61.4-42.8177-178.4174.370.9150.15.4112.2P68 P216 E217 Q223 A224P68-R220 HydrophobicContact CB-CG 4.09Å; P68-R220 HydrophobicContact CG-CG 3.9Å; P216-R220 WeakPolarHBondContact O-CB 3.46Å; P216-R220 PolarHBondContact O-N 2.89Å; E217-R220 WeakPolarHBondContact O-CB 3.38Å; E217-R220 PolarHBondContact O-N 3.05Å; E217-R220 IonicContact OE1-NH2 2.66Å; E217-R220 PolarHBondContact OE1-NH2 3.42Å; E217-R220 IonicContact OE2-CZ 2.68Å; E217-R220 IonicContact OE2-NE 2.66Å; E217-R220 PolarHBondContact OE2-NE 3.25Å; E217-R220 IonicContact OE2-NH2 3.36Å; E217-R220 PolarHBondContact OE2-NH2 2.85Å; R220-Q223 PolarHBondContact O-N 2.54Å; R220-A224 PolarHBondContact O-N 2.79Å
221V89.4Confident87.1Confident0 Ų040.1 Ų40.10%019%0.189CC..Hα-helixtrans-70-38.6178.3178.30000111.4Y159 V175 L177 W209 E217 G218 Y219 Q223 A224 L225Y159-V221 HydrophobicContact CD1-CG2 3.72Å; Y159-V221 HydrophobicContact CD2-CG1 3.95Å; Y159-V221 HydrophobicContact CD2-CG2 3.89Å; Y159-V221 HydrophobicContact CE1-CG2 4.35Å; Y159-V221 HydrophobicContact CE2-CG1 3.9Å; Y159-V221 HydrophobicContact CG-CG1 4.29Å; Y159-V221 HydrophobicContact CG-CG2 3.44Å; Y159-V221 VanDerWaalsContact CG-CG2 3.44Å; V175-V221 HydrophobicContact CG1-CG1 4.16Å; L177-V221 HydrophobicContact CD2-CB 4.2Å; L177-V221 HydrophobicContact CD2-CG1 4.03Å; W209-V221 HydrophobicContact CH2-CB 4.06Å; W209-V221 HydrophobicContact CH2-CG1 4.27Å; W209-V221 HydrophobicContact CH2-CG2 3.61Å; W209-V221 HydrophobicContact CZ2-CG2 4.34Å; W209-V221 HydrophobicContact CZ3-CB 4.21Å; W209-V221 HydrophobicContact CZ3-CG1 3.93Å; W209-V221 HydrophobicContact CZ3-CG2 4.11Å; E217-V221 WeakPolarHBondContact O-CG2 3.38Å; E217-V221 PolarHBondContact O-N 2.92Å; E217-V221 VanDerWaalsContact O-N 3.1Å; G218-V221 PolarHBondContact O-N 2.9Å; Y219-V221 PolarHBondContact O-N 3.39Å; V221-Q223 PolarHBondContact O-N 3.33Å; V221-A224 WeakPolarHBondContact O-CB 3.49Å; V221-A224 PolarHBondContact O-N 3.43Å; V221-A224 VanDerWaalsContact O-N 3.08Å; V221-L225 HydrophobicContact CG1-CD1 3.72Å; V221-L225 HydrophobicContact CG1-CG 4.2Å; V221-L225 PolarHBondContact O-N 3.5Å
222S88.9Confident87Confident2 Ų240.1 Ų40.11%0.01419%0.189CC..Hα-helixtrans-50.4-54.7169.9137.30000111.8G218 Y219 A224 L225 R226 E227G218-S222 VanDerWaalsContact O-CB 3.27Å; G218-S222 WeakPolarHBondContact O-CB 3.43Å; G218-S222 PolarHBondContact O-N 3.26Å; Y219-S222 VanDerWaalsContact O-CB 3.24Å; Y219-S222 WeakPolarHBondContact O-CB 3.26Å; Y219-S222 PolarHBondContact O-N 3.44Å; Y219-S222 PolarHBondContact O-OG 3.05Å; S222-A224 PolarHBondContact O-N 3.12Å; S222-A224 VanDerWaalsContact O-N 3.12Å; S222-L225 PolarHBondContact O-N 3.45Å; S222-L225 VanDerWaalsContact O-N 3.16Å; S222-R226 PolarHBondContact O-N 3.26Å; S222-E227 WeakPolarHBondContact CA-OE2 3.36Å; S222-E227 WeakPolarHBondContact CB-OE1 3.43Å; S222-E227 WeakPolarHBondContact CB-OE2 3.26Å; S222-E227 PolarHBondContact OG-OE1 2.91Å; S222-E227 PolarHBondContact OG-OE2 3.32Å
223Q85.4Confident87.1Confident113 Ų11340.2 Ų40.253%0.52819%0.19SC..Hα-helixtrans-59.7-30.9177.6-63.8-56.5-62.400113.6Y219 R220 V221Y219-Q223 HydrophobicContact CD1-CG 4.48Å; Y219-Q223 HydrophobicContact CE1-CG 4.11Å; Y219-Q223 WeakPolarHBondContact O-CG 3.45Å; Y219-Q223 PolarHBondContact O-N 2.78Å; R220-Q223 PolarHBondContact O-N 2.54Å; V221-Q223 PolarHBondContact O-N 3.33Å
224A83.6Confident87.3Confident19 Ų1939.5 Ų39.516%0.15719%0.186CC..Hα-helixtrans-75.9-39.9178.200000112.9P68 R220 V221 S222P68-A224 HydrophobicContact CB-CB 4.28Å; P68-A224 HydrophobicContact CG-CB 4.02Å; R220-A224 PolarHBondContact O-N 2.79Å; V221-A224 WeakPolarHBondContact O-CB 3.49Å; V221-A224 PolarHBondContact O-N 3.43Å; V221-A224 VanDerWaalsContact O-N 3.08Å; S222-A224 PolarHBondContact O-N 3.12Å; S222-A224 VanDerWaalsContact O-N 3.12Å
225L85.7Confident87.7Confident0 Ų038 Ų380%017%0.174CC..Hα-helixtrans-85-20.2-177.8-65.6177.3000113.3V175 L177 V221 S222 F232 A234 I236 V245 R248V175-L225 HydrophobicContact CB-CD1 4.32Å; V175-L225 HydrophobicContact CG1-CD1 3.68Å; L177-L225 HydrophobicContact CD1-CD1 4.38Å; V221-L225 HydrophobicContact CG1-CD1 3.72Å; V221-L225 HydrophobicContact CG1-CG 4.2Å; V221-L225 PolarHBondContact O-N 3.5Å; S222-L225 PolarHBondContact O-N 3.45Å; S222-L225 VanDerWaalsContact O-N 3.16Å; L225-F232 HydrophobicContact CB-CE1 3.96Å; L225-F232 HydrophobicContact CB-CZ 4.22Å; L225-F232 HydrophobicContact CD1-CE1 3.88Å; L225-A234 HydrophobicContact CD1-CB 4.04Å; L225-I236 HydrophobicContact CD2-CD1 4.39Å; L225-V245 HydrophobicContact CD2-CG2 3.88Å; L225-R248 PolarHBondContact O-NH2 3.25Å; L225-R248 VanDerWaalsContact O-NH2 3.1Å
226R84.4Confident87.9Confident188 Ų18834.9 Ų34.971%0.70916%0.161SC*.THydrogen-bonded Turntrans55.759.9180-59.2-176.2179.9-174.90.7112.1S222S222-R226 PolarHBondContact O-N 3.26Å
227E81.1Confident88.1Confident29 Ų2933.9 Ų33.914%0.13615%0.154CC..  trans-71.2148.4176.477.9-72.5-17800112.6L177 S222 Y230 F232L177-E227 HydrophobicContact CD1-CG 4.46Å; S222-E227 WeakPolarHBondContact CA-OE2 3.36Å; S222-E227 WeakPolarHBondContact CB-OE1 3.43Å; S222-E227 WeakPolarHBondContact CB-OE2 3.26Å; S222-E227 PolarHBondContact OG-OE1 2.91Å; S222-E227 PolarHBondContact OG-OE2 3.32Å; E227-Y230 HydrophobicContact CG-CE1 3.8Å; E227-Y230 PolarHBondContact OE1-OH 3.03Å; E227-F232 HydrophobicContact CB-CB 4.13Å; E227-F232 HydrophobicContact CB-CD1 3.97Å; E227-F232 HydrophobicContact CB-CD2 3.68Å; E227-F232 HydrophobicContact CB-CE1 4.25Å; E227-F232 HydrophobicContact CB-CE2 4Å; E227-F232 HydrophobicContact CB-CG 3.65Å; E227-F232 HydrophobicContact CB-CZ 4.26Å
228N77.3Confident88.1Confident136 Ų13634.3 Ų34.373%0.72716%0.157SC*.  trans-103.9-26.3178.2-60.2-56.9000113.7
229T83.1Confident87.9Confident39 Ų3935.3 Ų35.324%0.23916%0.161CC..SBendtrans-154.8167.5-175.4-171.40000110.9H182 E250H182-T229 PolarHBondContact NE2-OG1 3.04Å; T229-E250 HydrophobicContact CG2-CB 3.66Å; T229-E250 HydrophobicContact CG2-CG 4.02Å
230Y86.2Confident87.6Confident44 Ų4435.9 Ų35.917%0.17317%0.17CC..SBendtrans-122.4155.1178.1-58.5-78.3000110.6L177 H182 T213 E227 F232L177-Y230 HydrophobicContact CB-CE1 4.11Å; L177-Y230 WeakPolarHBondContact O-CD1 3.41Å; H182-Y230 HydrophobicContact CB-CD2 4.23Å; H182-Y230 HydrophobicContact CB-CG 4.46Å; H182-Y230 PolarHBondContact CE1-O 2.91Å; H182-Y230 PolarHBondContact ND1-O 3.39Å; T213-Y230 HydrophobicContact CG2-CE1 3.62Å; T213-Y230 WeakPolarHBondContact CG2-OH 3.5Å; E227-Y230 HydrophobicContact CG-CE1 3.8Å; E227-Y230 PolarHBondContact OE1-OH 3.03Å; Y230-F232 HydrophobicContact CD1-CB 4.32Å
231P89.8Confident87.2Confident2 Ų240.4 Ų40.41%0.01319%0.187CC..SBendcis-61.5144.4-9.530.2-39.4000112Y176 F188 G251Y176-P231 HydrophobicContact CE2-CB 3.85Å; F188-P231 HydrophobicContact CB-CB 4.21Å; F188-P231 HydrophobicContact CB-CG 3.69Å; F188-P231 HydrophobicContact CD1-CB 3.61Å; F188-P231 HydrophobicContact CD1-CG 3.93Å; F188-P231 HydrophobicContact CD2-CB 4.35Å; F188-P231 HydrophobicContact CD2-CG 3.85Å; F188-P231 HydrophobicContact CE1-CB 4.06Å; F188-P231 HydrophobicContact CG-CB 3.78Å; F188-P231 HydrophobicContact CG-CG 3.53Å; P231-G251 WeakPolarHBondContact CG-O 3.36Å; P231-G251 PolarHBondContact O-N 3.45Å
232F92.9Very high86.9Confident0 Ų046.5 Ų46.50%021%0.213CC..EExtended strand (participates in β ladder)trans-120.1128.6178.2175.3-99.5000110.3Y176 L177 L225 E227 Y230 A234 R248 E250Y176-F232 WeakPolarHBondContact CD2-O 3.41Å; L177-F232 HydrophobicContact CB-CB 4.39Å; L177-F232 HydrophobicContact CB-CD1 4.17Å; L177-F232 HydrophobicContact CD1-CD1 3.73Å; L177-F232 HydrophobicContact CD1-CE1 4.13Å; L177-F232 HydrophobicContact CG-CD1 4.03Å; L177-F232 PolarHBondContact N-O 2.79Å; L225-F232 HydrophobicContact CB-CE1 3.96Å; L225-F232 HydrophobicContact CB-CZ 4.22Å; L225-F232 HydrophobicContact CD1-CE1 3.88Å; E227-F232 HydrophobicContact CB-CB 4.13Å; E227-F232 HydrophobicContact CB-CD1 3.97Å; E227-F232 HydrophobicContact CB-CD2 3.68Å; E227-F232 HydrophobicContact CB-CE1 4.25Å; E227-F232 HydrophobicContact CB-CE2 4Å; E227-F232 HydrophobicContact CB-CG 3.65Å; E227-F232 HydrophobicContact CB-CZ 4.26Å; Y230-F232 HydrophobicContact CD1-CB 4.32Å; F232-A234 HydrophobicContact CE1-CB 3.72Å; F232-A234 HydrophobicContact CZ-CB 3.88Å; F232-R248 HydrophobicContact CE2-CB 4.42Å; F232-R248 HydrophobicContact CE2-CG 4.28Å; F232-R248 HydrophobicContact CZ-CG 4.34Å; F232-E250 HydrophobicContact CD2-CG 3.71Å; F232-E250 HydrophobicContact CE2-CG 4.19Å
233L94.8Very high86.7Confident5 Ų547.7 Ų47.73%0.02622%0.219CC..EExtended strand (participates in β ladder)trans-122.1133.4172.7-65162.1000110L174 V175 Y176 F188 F208 R248 L249 L258L174-L233 HydrophobicContact CD1-CB 4.16Å; L174-L233 HydrophobicContact CD1-CD2 4.29Å; L174-L233 HydrophobicContact CD2-CD2 4.23Å; L174-L233 HydrophobicContact CG-CD2 4.2Å; V175-L233 CarbonylContact O-C 3.41Å; V175-L233 VanDerWaalsContact O-CA 3.28Å; V175-L233 WeakPolarHBondContact O-CA 3.46Å; Y176-L233 HydrophobicContact CD2-CD2 3.71Å; Y176-L233 HydrophobicContact CD2-CG 4.29Å; Y176-L233 HydrophobicContact CG-CD2 4.06Å; F188-L233 HydrophobicContact CE2-CD1 4.36Å; F188-L233 HydrophobicContact CZ-CD1 3.89Å; F188-L233 HydrophobicContact CZ-CG 4.48Å; F208-L233 HydrophobicContact CE2-CD2 4.4Å; L233-R248 WeakPolarHBondContact O-CA 3.24Å; L233-L249 HydrophobicContact CB-CB 4.14Å; L233-L249 HydrophobicContact CB-CD1 4.3Å; L233-L249 HydrophobicContact CD1-CB 4.45Å; L233-L249 HydrophobicContact CD1-CD1 4.05Å; L233-L249 PolarHBondContact N-O 3.45Å; L233-L249 PolarHBondContact O-N 3.37Å; L233-L258 HydrophobicContact CD1-CD1 3.71Å
234A94.3Very high86.9Confident0 Ų042.5 Ų42.50%020%0.195CC..EExtended strand (participates in β ladder)trans-121.7124.8171.500000110.5L174 V175 L225 F232 V245 G247L174-A234 WeakPolarHBondContact CA-O 3.36Å; V175-A234 HydrophobicContact CB-CB 4.39Å; V175-A234 PolarHBondContact N-O 3.4Å; V175-A234 PolarHBondContact O-N 3.48Å; L225-A234 HydrophobicContact CD1-CB 4.04Å; F232-A234 HydrophobicContact CE1-CB 3.72Å; F232-A234 HydrophobicContact CZ-CB 3.88Å; A234-V245 HydrophobicContact CB-CG1 4.26Å; A234-G247 CarbonylContact C-O 3.49Å; A234-G247 WeakPolarHBondContact CA-O 3.33Å
235M95.1Very high87.3Confident2 Ų241.7 Ų41.71%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-92125.7169.9-173.2-174.8-64.500109Y172 L174 M206 V246 G247 L262 I265 M266Y172-M235 HydrophobicContact CD1-CG 4.04Å; Y172-M235 HydrophobicContact CD1-SD 3.62Å; Y172-M235 HydrophobicContact CE1-SD 4.07Å; Y172-M235 HydrophobicContact CG-SD 4.34Å; L174-M235 HydrophobicContact CD1-CB 4.39Å; M206-M235 HydrophobicContact CE-CE 4.3Å; M235-V246 HydrophobicContact CB-CG2 4.14Å; M235-V246 HydrophobicContact CG-CG2 3.84Å; M235-V246 WeakPolarHBondContact O-CG2 3.48Å; M235-V246 PolarHBondContact O-N 2.91Å; M235-V246 HydrophobicContact SD-CG2 4Å; M235-G247 PolarHBondContact N-O 2.89Å; M235-G247 PolarHBondContact O-N 3.42Å; M235-L262 HydrophobicContact CE-CB 3.9Å; M235-L262 HydrophobicContact CE-CD2 3.31Å; M235-L262 HydrophobicContact CE-CG 4.18Å; M235-I265 HydrophobicContact CE-CB 4.33Å; M235-I265 HydrophobicContact CE-CG2 4.29Å; M235-I265 HydrophobicContact SD-CB 4.21Å; M235-I265 HydrophobicContact SD-CG2 3.59Å; M235-I265 VanDerWaalsContact SD-CG2 3.59Å; M235-M266 HydrophobicContact CE-CG 4.01Å; M235-M266 HydrophobicContact SD-CG 4.05Å
236I93.8Very high87.5Confident0 Ų042 Ų420%019%0.19CC..EExtended strand (participates in β ladder)trans-122.6138.6-176.7-51.5174.8000108.5V71 Y159 L163 L173 V175 L225 M243 T244 V245V71-I236 HydrophobicContact CG1-CG2 4.12Å; V71-I236 HydrophobicContact CG2-CD1 4.25Å; Y159-I236 HydrophobicContact CE2-CD1 4.35Å; L163-I236 HydrophobicContact CD2-CD1 4.23Å; L163-I236 HydrophobicContact CD2-CG2 3.92Å; L173-I236 HydrophobicContact CB-CB 4.35Å; L173-I236 HydrophobicContact CD2-CD1 4.44Å; L173-I236 PolarHBondContact N-O 2.86Å; L173-I236 PolarHBondContact O-N 3.13Å; V175-I236 HydrophobicContact CG2-CD1 3.77Å; L225-I236 HydrophobicContact CD2-CD1 4.39Å; I236-M243 HydrophobicContact CG2-CB 4.19Å; I236-M243 HydrophobicContact CG2-CE 3.92Å; I236-T244 VanDerWaalsContact CA-O 3.3Å; I236-T244 WeakPolarHBondContact CA-O 3.24Å; I236-T244 WeakPolarHBondContact CG2-O 3.23Å; I236-V245 HydrophobicContact CG1-CG2 4.34Å
237M92.8Very high87.8Confident0 Ų033.1 Ų33.10%016%0.157CC..EExtended strand (participates in β ladder)trans-146165.6172.861.3173.4-81.900111.6Y172 K239 T244 V246 N269 L273Y172-M237 HydrophobicContact CD1-CB 3.87Å; Y172-M237 HydrophobicContact CD1-CG 4.4Å; Y172-M237 HydrophobicContact CD1-SD 4.12Å; Y172-M237 HydrophobicContact CE1-CB 4.17Å; Y172-M237 HydrophobicContact CE1-CG 4.32Å; Y172-M237 HydrophobicContact CE1-SD 3.47Å; Y172-M237 WeakPolarHBondContact CE1-SD 3.5Å; M237-K239 PolarHBondContact O-N 2.92Å; M237-T244 PolarHBondContact N-O 3.41Å; M237-T244 PolarHBondContact O-N 3.34Å; M237-T244 PolarHBondContact O-OG1 2.85Å; M237-V246 HydrophobicContact CG-CB 4.29Å; M237-V246 HydrophobicContact CG-CG1 3.47Å; M237-V246 VanDerWaalsContact CG-CG1 3.47Å; M237-V246 HydrophobicContact CG-CG2 3.83Å; M237-V246 HydrophobicContact SD-CB 4.49Å; M237-V246 HydrophobicContact SD-CG1 3.83Å; M237-V246 HydrophobicContact SD-CG2 4.13Å; M237-N269 HydrophobicContact CE-CB 4.1Å; M237-N269 HydrophobicContact SD-CB 3.44Å; M237-N269 WeakPolarHBondContact SD-CB 3.42Å; M237-L273 HydrophobicContact CB-CD1 4.45Å; M237-L273 HydrophobicContact CE-CB 4.44Å; M237-L273 HydrophobicContact CE-CD1 3.59Å; M237-L273 HydrophobicContact CE-CG 3.56Å; M237-L273 HydrophobicContact SD-CD1 4.03Å
238L89.3Confident88.3Confident10 Ų1034 Ų345%0.05216%0.159CC..EExtended strand (participates in β ladder)trans-72.8120.3169.6-171.166.2000109.2K167 L170 R241 M243K167-L238 HydrophobicContact CD-CD1 4.45Å; K167-L238 HydrophobicContact CG-CD1 4.07Å; K167-L238 HydrophobicContact CG-CD2 4.34Å; L170-L238 HydrophobicContact CD2-CB 4.37Å; L170-L238 HydrophobicContact CD2-CD2 3.41Å; L170-L238 VanDerWaalsContact CD2-CD2 3.41Å; L170-L238 HydrophobicContact CD2-CG 4.49Å; L238-R241 VanDerWaalsContact CD1-C 3.4Å; L238-M243 HydrophobicContact CB-SD 4.04Å; L238-M243 HydrophobicContact CD1-SD 4.12Å
239K84.3Confident88.9Confident20 Ų2028 Ų289%0.08713%0.126CC..EExtended strand (participates in β ladder)trans-138.5131173.5-174179.8176.3167.80108.4M237 R241 K242 T244 Y272M237-K239 PolarHBondContact O-N 2.92Å; K239-R241 PolarHBondContact O-N 3.29Å; K239-K242 PolarHBondContact N-O 3.46Å; K239-K242 PolarHBondContact O-N 3.42Å; K239-T244 HydrophobicContact CB-CG2 4.3Å; K239-T244 WeakPolarHBondContact CB-OG1 3.43Å; K239-Y272 HydrophobicContact CG-CD1 4.33Å; K239-Y272 HydrophobicContact CG-CG 4.37Å
240D80.4Confident89.2Confident94 Ų9427 Ų2750%0.50312%0.119SC..THydrogen-bonded Turntrans51.146.1-178.7-51.8-44000111.5K242D240-K242 PolarHBondContact O-N 3.48Å
241R78.4Confident89.1Confident145 Ų14525.4 Ų25.455%0.54712%0.117SC..THydrogen-bonded Turntrans59.19.6-177-53.2175.9-179.6168.4-2.3116.2L238 K239 E276 E279L238-R241 VanDerWaalsContact CD1-C 3.4Å; K239-R241 PolarHBondContact O-N 3.29Å; R241-E276 PolarHBondContact N-OE1 2.82Å; R241-E279 IonicContact CZ-OE1 3.87Å; R241-E279 IonicContact NE-OE1 3Å; R241-E279 IonicContact NH2-OE1 2.79Å; R241-E279 PolarHBondContact NH2-OE1 3.3Å
242K82.9Confident88.9Confident129 Ų12926.5 Ų26.556%0.56112%0.123SC*.EExtended strand (participates in β ladder)trans-120144.1176.9-64.6179.5-174.5173.70110.9K239 D240 T244K239-K242 PolarHBondContact N-O 3.46Å; K239-K242 PolarHBondContact O-N 3.42Å; D240-K242 PolarHBondContact O-N 3.48Å; K242-T244 HydrophobicContact CB-CG2 4.38Å; K242-T244 PolarHBondContact O-N 3.45Å
243M86.1Confident88.7Confident27 Ų2726.7 Ų26.713%0.13312%0.124CC..EExtended strand (participates in β ladder)trans-71122.7169.3-65.3-58.6-79.400108.3V71 L163 A166 K167 I236 L238V71-M243 WeakPolarHBondContact CG1-O 3.29Å; L163-M243 HydrophobicContact CD2-CB 4.18Å; L163-M243 HydrophobicContact CD2-CE 3.75Å; L163-M243 HydrophobicContact CD2-CG 4.25Å; A166-M243 HydrophobicContact CB-CE 3.85Å; K167-M243 HydrophobicContact CB-CG 4.47Å; K167-M243 HydrophobicContact CB-SD 3.87Å; K167-M243 HydrophobicContact CG-SD 4.41Å; I236-M243 HydrophobicContact CG2-CB 4.19Å; I236-M243 HydrophobicContact CG2-CE 3.92Å; L238-M243 HydrophobicContact CB-SD 4.04Å; L238-M243 HydrophobicContact CD1-SD 4.12Å
244T89.4Confident88.5Confident4 Ų431.3 Ų31.33%0.02515%0.146CC..EExtended strand (participates in β ladder)trans-130.2143.9-175.961.30000110.8N72 I236 M237 K239 K242 V246N72-T244 HydrophobicContact CB-CG2 4.39Å; I236-T244 VanDerWaalsContact CA-O 3.3Å; I236-T244 WeakPolarHBondContact CA-O 3.24Å; I236-T244 WeakPolarHBondContact CG2-O 3.23Å; M237-T244 PolarHBondContact N-O 3.41Å; M237-T244 PolarHBondContact O-N 3.34Å; M237-T244 PolarHBondContact O-OG1 2.85Å; K239-T244 HydrophobicContact CB-CG2 4.3Å; K239-T244 WeakPolarHBondContact CB-OG1 3.43Å; K242-T244 HydrophobicContact CB-CG2 4.38Å; K242-T244 PolarHBondContact O-N 3.45Å; T244-V246 PolarHBondContact O-N 3.44Å
245V90.7Very high88.4Confident2 Ų232.3 Ų32.31%0.01215%0.152CC..EExtended strand (participates in β ladder)trans-76.5119.9171.2-174.20000107.6V71 T73 V78 L225 A234 I236 G247 R248V71-V245 HydrophobicContact CB-CG2 4.17Å; V71-V245 HydrophobicContact CG1-CB 4.35Å; V71-V245 HydrophobicContact CG1-CG2 3.43Å; V71-V245 VanDerWaalsContact CG1-CG2 3.43Å; V71-V245 VanDerWaalsContact CG1-N 3.3Å; T73-V245 HydrophobicContact CG2-CG2 4.12Å; V78-V245 HydrophobicContact CG1-CG1 4.45Å; L225-V245 HydrophobicContact CD2-CG2 3.88Å; A234-V245 HydrophobicContact CB-CG1 4.26Å; I236-V245 HydrophobicContact CG1-CG2 4.34Å; V245-G247 WeakPolarHBondContact CG1-O 3.42Å; V245-R248 HydrophobicContact CG1-CG 3.86Å
246V90.8Very high88.3Confident7 Ų738.6 Ų38.64%0.04218%0.181CC..EExtended strand (participates in β ladder)trans-104.2-20.7178.9-67.70000112.8Y79 M235 M237 T244 I265Y79-V246 PolarHBondContact N-O 2.94Å; M235-V246 HydrophobicContact CB-CG2 4.14Å; M235-V246 HydrophobicContact CG-CG2 3.84Å; M235-V246 WeakPolarHBondContact O-CG2 3.48Å; M235-V246 PolarHBondContact O-N 2.91Å; M235-V246 HydrophobicContact SD-CG2 4Å; M237-V246 HydrophobicContact CG-CB 4.29Å; M237-V246 HydrophobicContact CG-CG1 3.47Å; M237-V246 VanDerWaalsContact CG-CG1 3.47Å; M237-V246 HydrophobicContact CG-CG2 3.83Å; M237-V246 HydrophobicContact SD-CB 4.49Å; M237-V246 HydrophobicContact SD-CG1 3.83Å; M237-V246 HydrophobicContact SD-CG2 4.13Å; T244-V246 PolarHBondContact O-N 3.44Å; V246-I265 HydrophobicContact CB-CG2 4.3Å; V246-I265 HydrophobicContact CG2-CG2 3.94Å
247G90.5Very high88.2Confident1 Ų141.7 Ų41.71%0.0120%0.198CC..EExtended strand (participates in β ladder)trans-142.6140.7-179.900000112.2A234 M235 V245A234-G247 CarbonylContact C-O 3.49Å; A234-G247 WeakPolarHBondContact CA-O 3.33Å; M235-G247 PolarHBondContact N-O 2.89Å; M235-G247 PolarHBondContact O-N 3.42Å; V245-G247 WeakPolarHBondContact CG1-O 3.42Å
248R91.6Very high88.2Confident48 Ų4841.8 Ų41.818%0.18120%0.199CC..EExtended strand (participates in β ladder)trans-130.9124.7171.8-72.2-179.5171.1154.4-13109.1V78 Y79 S80 Y81 L225 F232 L233 V245V78-R248 HydrophobicContact CG1-CB 4.13Å; V78-R248 HydrophobicContact CG1-CG 3.69Å; Y79-R248 PolarHBondContact O-N 3.38Å; Y79-R248 VanDerWaalsContact O-O 3.14Å; S80-R248 VanDerWaalsContact CA-O 3.3Å; S80-R248 WeakPolarHBondContact CA-O 3.47Å; Y81-R248 PolarHBondContact N-O 3.42Å; L225-R248 PolarHBondContact O-NH2 3.25Å; L225-R248 VanDerWaalsContact O-NH2 3.1Å; F232-R248 HydrophobicContact CE2-CB 4.42Å; F232-R248 HydrophobicContact CE2-CG 4.28Å; F232-R248 HydrophobicContact CZ-CG 4.34Å; L233-R248 WeakPolarHBondContact O-CA 3.24Å; V245-R248 HydrophobicContact CG1-CG 3.86Å
249L90.7Very high88.5Confident8 Ų842.8 Ų42.84%0.04220%0.204CC..EExtended strand (participates in β ladder)trans-120.7122.1175.8-48.8164000107.8Y81 L233 L258 Q261 L262Y81-L249 HydrophobicContact CG-CD2 4.44Å; L233-L249 HydrophobicContact CB-CB 4.14Å; L233-L249 HydrophobicContact CB-CD1 4.3Å; L233-L249 HydrophobicContact CD1-CB 4.45Å; L233-L249 HydrophobicContact CD1-CD1 4.05Å; L233-L249 PolarHBondContact N-O 3.45Å; L233-L249 PolarHBondContact O-N 3.37Å; L249-L258 HydrophobicContact CD1-CD1 3.53Å; L249-Q261 HydrophobicContact CD2-CB 3.98Å; L249-Q261 HydrophobicContact CD2-CG 4.45Å; L249-L262 HydrophobicContact CD1-CD2 3.74Å; L249-L262 HydrophobicContact CD1-CG 4.28Å
250E88.6Confident88.9Confident18 Ų1846.3 Ų46.38%0.08422%0.224CC..EExtended strand (participates in β ladder)trans-122.8119.8-174.6-81.3-179.3-164.500109.9Y81 I82 V83 T229 F232Y81-E250 PolarHBondContact O-N 2.98Å; I82-E250 HydrophobicContact CG1-CB 4.44Å; V83-E250 PolarHBondContact N-O 3.12Å; T229-E250 HydrophobicContact CG2-CB 3.66Å; T229-E250 HydrophobicContact CG2-CG 4.02Å; F232-E250 HydrophobicContact CD2-CG 3.71Å; F232-E250 HydrophobicContact CE2-CG 4.19Å
251G83.3Confident89.5Confident12 Ų1244.4 Ų44.412%0.12421%0.212CC..SBendtrans100.6174176.700000115P231 I253P231-G251 WeakPolarHBondContact CG-O 3.36Å; P231-G251 PolarHBondContact O-N 3.45Å; G251-I253 PolarHBondContact O-N 3.43Å
252V85.6Confident90.3Very high25 Ų2537.6 Ų37.615%0.15219%0.186CC..  trans-67118.5-177.7-170.80000110.3V83 D184 E187V83-V252 WeakPolarHBondContact CB-O 3.41Å; V83-V252 WeakPolarHBondContact CG1-O 3.49Å; V83-V252 VanDerWaalsContact CG2-O 3.22Å; V83-V252 WeakPolarHBondContact CG2-O 3.16Å; D184-V252 HydrophobicContact CB-CG2 3.39Å; E187-V252 HydrophobicContact CG-CG1 4.32Å
253I88.7Confident90.8Very high4 Ų433.2 Ų33.22%0.02117%0.17CC..  trans-118.5145.2178.5-174.4165.8000109.5Y81 V83 F188 T192 G251 D257 L258 Q261Y81-I253 HydrophobicContact CD1-CD1 3.8Å; Y81-I253 HydrophobicContact CE1-CD1 3.7Å; Y81-I253 HydrophobicContact CE1-CG1 4.21Å; V83-I253 HydrophobicContact CG2-CB 4.14Å; F188-I253 HydrophobicContact CD2-CG2 4.25Å; F188-I253 HydrophobicContact CE2-CG2 3.81Å; T192-I253 WeakPolarHBondContact CB-O 3.43Å; T192-I253 HydrophobicContact CG2-CG2 4.34Å; T192-I253 WeakPolarHBondContact CG2-O 3.4Å; T192-I253 PolarHBondContact OG1-O 3.16Å; G251-I253 PolarHBondContact O-N 3.43Å; I253-D257 HydrophobicContact CD1-CB 3.96Å; I253-D257 HydrophobicContact CG1-CB 3.63Å; I253-L258 HydrophobicContact CD1-CB 4.24Å; I253-L258 HydrophobicContact CG1-CB 4.27Å; I253-L258 HydrophobicContact CG2-CB 3.99Å; I253-L258 HydrophobicContact CG2-CD1 4.11Å; I253-L258 HydrophobicContact CG2-CG 4.45Å; I253-Q261 HydrophobicContact CD1-CG 4.16Å
254Q90.6Very high91.2Very high102 Ų10238 Ų3848%0.47719%0.187SC..  trans-72155.4176-66.1-61.8-3700111.2E256 D257 L258Q254-E256 PolarHBondContact O-N 3.35Å; Q254-D257 HydrophobicContact CB-CB 4.44Å; Q254-D257 PolarHBondContact O-N 3.3Å; Q254-L258 WeakPolarHBondContact O-CB 3.18Å; Q254-L258 PolarHBondContact O-N 3.3Å
255P92.7Very high91.3Very high20 Ų2037.8 Ų37.813%0.1319%0.186CC..Hα-helixtrans-51.7-50.2-179.4-23.527.6000113.9S191 T195 V198 L258 I259S191-P255 VanDerWaalsContact O-CG 3.28Å; S191-P255 WeakPolarHBondContact O-CG 3.41Å; T195-P255 HydrophobicContact CG2-CB 4.27Å; T195-P255 HydrophobicContact CG2-CG 4.33Å; V198-P255 HydrophobicContact CG2-CB 3.93Å; P255-L258 WeakPolarHBondContact O-CB 3.44Å; P255-L258 PolarHBondContact O-N 3.05Å; P255-I259 WeakPolarHBondContact O-CG1 3.42Å; P255-I259 PolarHBondContact O-N 2.84Å; P255-I259 VanDerWaalsContact O-N 3.1Å
256E93.1Very high91.4Very high134 Ų13438.2 Ų38.263%0.62619%0.188SC*.Hα-helixtrans-64.2-45.5-177.7-61.9179.7-164.900111.3Q254 L258 I259 N260Q254-E256 PolarHBondContact O-N 3.35Å; E256-L258 VanDerWaalsContact C-N 3.31Å; E256-L258 PolarHBondContact O-N 2.91Å; E256-I259 PolarHBondContact O-N 3.1Å; E256-N260 WeakPolarHBondContact O-CB 3.42Å; E256-N260 PolarHBondContact O-N 2.92Å; E256-N260 PolarHBondContact O-ND2 3.02Å; E256-N260 VanDerWaalsContact O-ND2 3.13Å
257D90.9Very high91.4Very high66 Ų6641.9 Ų41.935%0.35321%0.207SC..Hα-helixtrans-62.1-39.9177.5-70.6-34.6000111.4I253 Q254 N260 Q261I253-D257 HydrophobicContact CD1-CB 3.96Å; I253-D257 HydrophobicContact CG1-CB 3.63Å; Q254-D257 HydrophobicContact CB-CB 4.44Å; Q254-D257 PolarHBondContact O-N 3.3Å; D257-N260 PolarHBondContact O-N 3.33Å; D257-Q261 WeakPolarHBondContact O-CB 3.33Å; D257-Q261 VanDerWaalsContact O-CG 3.25Å; D257-Q261 WeakPolarHBondContact O-CG 3.33Å; D257-Q261 PolarHBondContact O-N 3.44Å
258L93.3Very high91.4Very high2 Ų243.8 Ų43.81%0.0122%0.223CC..Hα-helixtrans-60.1-49.3176.617760.6000110.9F188 T192 V198 L233 L249 I253 Q254 P255 E256 N260 Q261 L262F188-L258 HydrophobicContact CE2-CD2 4.49Å; T192-L258 HydrophobicContact CG2-CB 4.27Å; T192-L258 HydrophobicContact CG2-CD2 3.68Å; V198-L258 HydrophobicContact CG1-CD2 3.93Å; V198-L258 HydrophobicContact CG2-CD2 4.39Å; L233-L258 HydrophobicContact CD1-CD1 3.71Å; L249-L258 HydrophobicContact CD1-CD1 3.53Å; I253-L258 HydrophobicContact CD1-CB 4.24Å; I253-L258 HydrophobicContact CG1-CB 4.27Å; I253-L258 HydrophobicContact CG2-CB 3.99Å; I253-L258 HydrophobicContact CG2-CD1 4.11Å; I253-L258 HydrophobicContact CG2-CG 4.45Å; Q254-L258 WeakPolarHBondContact O-CB 3.18Å; Q254-L258 PolarHBondContact O-N 3.3Å; P255-L258 WeakPolarHBondContact O-CB 3.44Å; P255-L258 PolarHBondContact O-N 3.05Å; E256-L258 VanDerWaalsContact C-N 3.31Å; E256-L258 PolarHBondContact O-N 2.91Å; L258-N260 VanDerWaalsContact C-N 3.33Å; L258-N260 PolarHBondContact O-N 2.8Å; L258-Q261 PolarHBondContact O-N 3.39Å; L258-L262 HydrophobicContact CD1-CD1 3.84Å; L258-L262 HydrophobicContact CD1-CD2 4.49Å; L258-L262 HydrophobicContact CD1-CG 3.98Å; L258-L262 HydrophobicContact CG-CD1 3.98Å; L258-L262 HydrophobicContact CG-CG 4.46Å; L258-L262 WeakPolarHBondContact O-CB 3.41Å; L258-L262 VanDerWaalsContact O-CG 3.22Å; L258-L262 WeakPolarHBondContact O-CG 3.25Å; L258-L262 PolarHBondContact O-N 2.85Å
259I95.2Very high91.3Very high31 Ų3142 Ų4216%0.15922%0.217CC..Hα-helixtrans-61.9-44178.5-66.1169.2000110.4E197 V198 F201 P255 E256 L262 T263E197-I259 HydrophobicContact CB-CD1 3.97Å; V198-I259 HydrophobicContact CG2-CD1 4.06Å; V198-I259 HydrophobicContact CG2-CG1 4.16Å; F201-I259 HydrophobicContact CB-CG1 4.42Å; F201-I259 HydrophobicContact CD1-CG1 4.43Å; F201-I259 HydrophobicContact CD2-CG2 3.94Å; F201-I259 HydrophobicContact CE2-CG2 4.03Å; F201-I259 HydrophobicContact CG-CG1 4.31Å; F201-I259 HydrophobicContact CG-CG2 4.27Å; F201-I259 HydrophobicContact CZ-CG2 4.45Å; P255-I259 WeakPolarHBondContact O-CG1 3.42Å; P255-I259 PolarHBondContact O-N 2.84Å; P255-I259 VanDerWaalsContact O-N 3.1Å; E256-I259 PolarHBondContact O-N 3.1Å; I259-L262 PolarHBondContact O-N 3.38Å; I259-T263 VanDerWaalsContact O-CB 3.25Å; I259-T263 WeakPolarHBondContact O-CB 3.26Å; I259-T263 PolarHBondContact O-N 3.48Å; I259-T263 PolarHBondContact O-OG1 2.6Å
260N93.8Very high91.1Very high94 Ų9444.6 Ų44.650%0.50323%0.229SC..Hα-helixtrans-62.4-45.7179.3-72-30.1000112.1E256 D257 L258 T263 Y264E256-N260 WeakPolarHBondContact O-CB 3.42Å; E256-N260 PolarHBondContact O-N 2.92Å; E256-N260 PolarHBondContact O-ND2 3.02Å; E256-N260 VanDerWaalsContact O-ND2 3.13Å; D257-N260 PolarHBondContact O-N 3.33Å; L258-N260 VanDerWaalsContact C-N 3.33Å; L258-N260 PolarHBondContact O-N 2.8Å; N260-T263 PolarHBondContact O-N 2.81Å; N260-Y264 WeakPolarHBondContact O-CB 3.43Å; N260-Y264 PolarHBondContact O-N 3.49Å
261Q92.4Very high91Very high54 Ų5448.7 Ų48.725%0.25226%0.256SS..Hα-helixtrans-65.4-45.4177.8-68.4-55.5-48.300111.7Y81 L249 I253 D257 L258 T263 Y264 I265Y81-Q261 HydrophobicContact CD2-CG 4.46Å; Y81-Q261 HydrophobicContact CG-CG 4.38Å; L249-Q261 HydrophobicContact CD2-CB 3.98Å; L249-Q261 HydrophobicContact CD2-CG 4.45Å; I253-Q261 HydrophobicContact CD1-CG 4.16Å; D257-Q261 WeakPolarHBondContact O-CB 3.33Å; D257-Q261 VanDerWaalsContact O-CG 3.25Å; D257-Q261 WeakPolarHBondContact O-CG 3.33Å; D257-Q261 PolarHBondContact O-N 3.44Å; L258-Q261 PolarHBondContact O-N 3.39Å; Q261-T263 VanDerWaalsContact C-N 3.34Å; Q261-T263 PolarHBondContact O-N 3.44Å; Q261-Y264 PolarHBondContact O-N 3.4Å; Q261-I265 WeakPolarHBondContact O-CD1 3.47Å; Q261-I265 WeakPolarHBondContact O-CG1 3.22Å; Q261-I265 PolarHBondContact O-N 2.82Å
262L94.8Very high91.1Very high1 Ų152.7 Ų52.71%0.00527%0.268CS..Hα-helixtrans-62.1-43.7177.1-66.7175.3000111L174 F201 L202 M235 L249 L258 I259 I265 M266L174-L262 HydrophobicContact CD1-CD2 4.06Å; L174-L262 HydrophobicContact CD2-CD1 4.32Å; F201-L262 HydrophobicContact CD1-CD1 4.33Å; F201-L262 HydrophobicContact CE1-CB 3.77Å; F201-L262 HydrophobicContact CE1-CD1 3.84Å; F201-L262 HydrophobicContact CE1-CG 4.48Å; F201-L262 HydrophobicContact CZ-CB 4.13Å; L202-L262 HydrophobicContact CD2-CD1 3.89Å; M235-L262 HydrophobicContact CE-CB 3.9Å; M235-L262 HydrophobicContact CE-CD2 3.31Å; M235-L262 HydrophobicContact CE-CG 4.18Å; L249-L262 HydrophobicContact CD1-CD2 3.74Å; L249-L262 HydrophobicContact CD1-CG 4.28Å; L258-L262 HydrophobicContact CD1-CD1 3.84Å; L258-L262 HydrophobicContact CD1-CD2 4.49Å; L258-L262 HydrophobicContact CD1-CG 3.98Å; L258-L262 HydrophobicContact CG-CD1 3.98Å; L258-L262 HydrophobicContact CG-CG 4.46Å; L258-L262 WeakPolarHBondContact O-CB 3.41Å; L258-L262 VanDerWaalsContact O-CG 3.22Å; L258-L262 WeakPolarHBondContact O-CG 3.25Å; L258-L262 PolarHBondContact O-N 2.85Å; I259-L262 PolarHBondContact O-N 3.38Å; L262-I265 PolarHBondContact O-N 3.01Å; L262-M266 WeakPolarHBondContact O-CB 3.47Å; L262-M266 WeakPolarHBondContact O-CG 3.4Å; L262-M266 PolarHBondContact O-N 3.21Å
263T95Very high91.1Very high37 Ų3751.8 Ų51.823%0.22726%0.262CS..Hα-helixtrans-62.6-44.9178.3-57.20000111.4F201 I259 N260 Q261 I265 M266 D267F201-T263 WeakPolarHBondContact CE2-OG1 3.47Å; F201-T263 WeakPolarHBondContact CZ-OG1 3.22Å; I259-T263 VanDerWaalsContact O-CB 3.25Å; I259-T263 WeakPolarHBondContact O-CB 3.26Å; I259-T263 PolarHBondContact O-N 3.48Å; I259-T263 PolarHBondContact O-OG1 2.6Å; N260-T263 PolarHBondContact O-N 2.81Å; Q261-T263 VanDerWaalsContact C-N 3.34Å; Q261-T263 PolarHBondContact O-N 3.44Å; T263-I265 VanDerWaalsContact C-N 3.35Å; T263-I265 PolarHBondContact O-N 3.28Å; T263-M266 WeakPolarHBondContact O-CB 3.48Å; T263-M266 PolarHBondContact O-N 3.46Å; T263-M266 VanDerWaalsContact O-N 3.16Å; T263-D267 PolarHBondContact O-N 3.17Å
264Y93.3Very high91Very high127 Ų12756.8 Ų56.850%0.49829%0.287SS..Hα-helixtrans-58.4-45.1176175.1-99.3000112.3Y79 N260 Q261 M266 A268Y79-Y264 HydrophobicContact CD1-CD1 4.49Å; Y79-Y264 AromaticContact CD1-CE1 3.72Å; Y79-Y264 HydrophobicContact CD1-CE1 3.72Å; Y79-Y264 AromaticContact CE1-CE1 3.5Å; Y79-Y264 HydrophobicContact CE1-CE1 3.5Å; Y79-Y264 HydrophobicContact CG-CE1 4.35Å; Y79-Y264 AromaticContact CZ-CE1 3.96Å; N260-Y264 WeakPolarHBondContact O-CB 3.43Å; N260-Y264 PolarHBondContact O-N 3.49Å; Q261-Y264 PolarHBondContact O-N 3.4Å; Y264-M266 VanDerWaalsContact C-N 3.32Å; Y264-M266 PolarHBondContact O-N 2.87Å; Y264-A268 WeakPolarHBondContact O-CB 3.27Å; Y264-A268 PolarHBondContact O-N 3.44Å
265I92Very high90.7Very high1 Ų154.7 Ų54.71%0.00528%0.283CS..Hα-helixtrans-65.4-38.6177.7-63.8164.1000110.7Y79 M235 V246 Q261 L262 T263 N269Y79-I265 HydrophobicContact CD2-CB 4.44Å; Y79-I265 HydrophobicContact CD2-CG1 3.89Å; Y79-I265 HydrophobicContact CD2-CG2 4.23Å; Y79-I265 HydrophobicContact CG-CG1 4.04Å; M235-I265 HydrophobicContact CE-CB 4.33Å; M235-I265 HydrophobicContact CE-CG2 4.29Å; M235-I265 HydrophobicContact SD-CB 4.21Å; M235-I265 HydrophobicContact SD-CG2 3.59Å; M235-I265 VanDerWaalsContact SD-CG2 3.59Å; V246-I265 HydrophobicContact CB-CG2 4.3Å; V246-I265 HydrophobicContact CG2-CG2 3.94Å; Q261-I265 WeakPolarHBondContact O-CD1 3.47Å; Q261-I265 WeakPolarHBondContact O-CG1 3.22Å; Q261-I265 PolarHBondContact O-N 2.82Å; L262-I265 PolarHBondContact O-N 3.01Å; T263-I265 VanDerWaalsContact C-N 3.35Å; T263-I265 PolarHBondContact O-N 3.28Å; I265-N269 PolarHBondContact O-N 3.37Å; I265-N269 PolarHBondContact O-ND2 3.47Å
266M92.1Very high90.3Very high10 Ų1054.6 Ų54.65%0.04928%0.281CS..Hα-helixtrans-63.6-54.4176.4-72.9177.567.100111Y172 F201 R205 M206 M235 L262 T263 Y264 A268 N269 Q270Y172-M266 HydrophobicContact CD1-CG 4.42Å; Y172-M266 HydrophobicContact CD2-CE 3.77Å; Y172-M266 HydrophobicContact CD2-CG 4.24Å; Y172-M266 HydrophobicContact CE1-CG 4.14Å; Y172-M266 HydrophobicContact CE2-CB 4.36Å; Y172-M266 HydrophobicContact CE2-CE 3.63Å; Y172-M266 HydrophobicContact CE2-CG 3.98Å; Y172-M266 HydrophobicContact CG-CG 4.46Å; Y172-M266 PolarHBondContact OH-O 3.02Å; Y172-M266 VanDerWaalsContact OH-O 3.06Å; F201-M266 HydrophobicContact CZ-SD 4.06Å; R205-M266 HydrophobicContact CB-CE 3.98Å; R205-M266 HydrophobicContact CB-SD 4.38Å; R205-M266 HydrophobicContact CG-CE 4.43Å; M206-M266 HydrophobicContact CE-SD 3.78Å; M235-M266 HydrophobicContact CE-CG 4.01Å; M235-M266 HydrophobicContact SD-CG 4.05Å; L262-M266 WeakPolarHBondContact O-CB 3.47Å; L262-M266 WeakPolarHBondContact O-CG 3.4Å; L262-M266 PolarHBondContact O-N 3.21Å; T263-M266 WeakPolarHBondContact O-CB 3.48Å; T263-M266 PolarHBondContact O-N 3.46Å; T263-M266 VanDerWaalsContact O-N 3.16Å; Y264-M266 VanDerWaalsContact C-N 3.32Å; Y264-M266 PolarHBondContact O-N 2.87Å; M266-A268 VanDerWaalsContact C-N 3.28Å; M266-A268 PolarHBondContact O-N 3.17Å; M266-N269 CarbonylContact O-C 3.16Å; M266-N269 PolarHBondContact O-N 3.37Å; M266-Q270 WeakPolarHBondContact O-CG 3.47Å; M266-Q270 PolarHBondContact O-N 2.88Å
267D92.2Very high89.9Confident84 Ų8454 Ų5445%0.44927%0.273SS..Hα-helixtrans-59.6-39.6-177.7-68.4-16.1000111.7T263 N269 Q270T263-D267 PolarHBondContact O-N 3.17Å; D267-N269 PolarHBondContact O-N 2.99Å; D267-Q270 PolarHBondContact O-N 2.98Å; D267-Q270 PolarHBondContact OD1-NE2 3.26Å
268A89.6Confident89.7Confident41 Ų4156.1 Ų56.134%0.33928%0.284SS..Hα-helixtrans-63.2-23.7175.400000113.8Y79 Y264 M266Y79-A268 HydrophobicContact CE2-CB 4.03Å; Y264-A268 WeakPolarHBondContact O-CB 3.27Å; Y264-A268 PolarHBondContact O-N 3.44Å; M266-A268 VanDerWaalsContact C-N 3.28Å; M266-A268 PolarHBondContact O-N 3.17Å
269N88.4Confident89.3Confident11 Ų1159 Ų596%0.05930%0.297CS..Hα-helixtrans-114.60.4-176.8-65.8-74.9000114.4M237 I265 M266 D267 T271 Y272M237-N269 HydrophobicContact CE-CB 4.1Å; M237-N269 HydrophobicContact SD-CB 3.44Å; M237-N269 WeakPolarHBondContact SD-CB 3.42Å; I265-N269 PolarHBondContact O-N 3.37Å; I265-N269 PolarHBondContact O-ND2 3.47Å; M266-N269 CarbonylContact O-C 3.16Å; M266-N269 PolarHBondContact O-N 3.37Å; D267-N269 PolarHBondContact O-N 2.99Å; N269-T271 VanDerWaalsContact C-N 3.25Å; N269-T271 PolarHBondContact O-N 2.97Å; N269-Y272 HydrophobicContact CB-CD2 4.36Å; N269-Y272 PolarHBondContact O-N 3Å; N269-Y272 VanDerWaalsContact O-N 3.16Å
270Q87.4Confident88.7Confident62 Ų6259.9 Ų59.929%0.2930%0.298SS..Hα-helixtrans-57.4-38-178.3-90.817216.900112.5M266 D267 Y272 L273 M274M266-Q270 WeakPolarHBondContact O-CG 3.47Å; M266-Q270 PolarHBondContact O-N 2.88Å; D267-Q270 PolarHBondContact O-N 2.98Å; D267-Q270 PolarHBondContact OD1-NE2 3.26Å; Q270-Y272 VanDerWaalsContact C-N 3.28Å; Q270-Y272 PolarHBondContact O-N 2.84Å; Q270-L273 PolarHBondContact O-N 2.91Å; Q270-L273 VanDerWaalsContact O-N 3.17Å; Q270-M274 WeakPolarHBondContact O-CG 3.25Å; Q270-M274 PolarHBondContact O-N 3.09Å
271T86.1Confident88.2Confident105 Ų10560.7 Ų60.764%0.64430%0.299SS*.Hα-helixtrans-58.5-39.2179.6-46.80000112.3N269 M274 S275N269-T271 VanDerWaalsContact C-N 3.25Å; N269-T271 PolarHBondContact O-N 2.97Å; T271-M274 PolarHBondContact O-N 3.47Å; T271-S275 PolarHBondContact O-N 3.18Å; T271-S275 PolarHBondContact O-OG 2.87Å
272Y86.3Confident87.8Confident95 Ų9564.1 Ų64.137%0.37332%0.315SS..Hα-helixtrans-68-39.1178.7-64.2-73.6000112K239 N269 Q270 S275 E276K239-Y272 HydrophobicContact CG-CD1 4.33Å; K239-Y272 HydrophobicContact CG-CG 4.37Å; N269-Y272 HydrophobicContact CB-CD2 4.36Å; N269-Y272 PolarHBondContact O-N 3Å; N269-Y272 VanDerWaalsContact O-N 3.16Å; Q270-Y272 VanDerWaalsContact C-N 3.28Å; Q270-Y272 PolarHBondContact O-N 2.84Å; Y272-S275 WeakPolarHBondContact CA-OG 3.16Å; Y272-S275 PolarHBondContact O-OG 2.81Å; Y272-E276 VanDerWaalsContact O-CG 3.26Å; Y272-E276 WeakPolarHBondContact O-CG 3.33Å; Y272-E276 PolarHBondContact O-N 3.09Å; Y272-E276 VanDerWaalsContact O-N 3.14Å
273L85Confident87.1Confident7 Ų768 Ų684%0.03733%0.33CS..Hα-helixtrans-69.3-38.7175.6-92.6154.2000112L170 Y172 M237 Q270 R277L170-L273 HydrophobicContact CB-CD2 3.91Å; L170-L273 VanDerWaalsContact O-CD2 3.27Å; L170-L273 WeakPolarHBondContact O-CD2 3.28Å; Y172-L273 HydrophobicContact CD1-CD1 4.25Å; Y172-L273 HydrophobicContact CD2-CD1 4.09Å; Y172-L273 HydrophobicContact CE1-CD1 3.65Å; Y172-L273 HydrophobicContact CE2-CD1 3.42Å; Y172-L273 VanDerWaalsContact CE2-CD1 3.42Å; Y172-L273 HydrophobicContact CG-CD1 4.45Å; Y172-L273 WeakPolarHBondContact OH-CD1 3.36Å; M237-L273 HydrophobicContact CB-CD1 4.45Å; M237-L273 HydrophobicContact CE-CB 4.44Å; M237-L273 HydrophobicContact CE-CD1 3.59Å; M237-L273 HydrophobicContact CE-CG 3.56Å; M237-L273 HydrophobicContact SD-CD1 4.03Å; Q270-L273 PolarHBondContact O-N 2.91Å; Q270-L273 VanDerWaalsContact O-N 3.17Å; L273-R277 WeakPolarHBondContact O-CG 3.22Å; L273-R277 PolarHBondContact O-N 3.24Å
274M85.9Confident86.5Confident109 Ų10969.4 Ų69.454%0.53734%0.336SS..Hα-helixtrans-65.6-42175.8-72.1-175.7-18000111.8Q270 T271 R277 L278Q270-M274 WeakPolarHBondContact O-CG 3.25Å; Q270-M274 PolarHBondContact O-N 3.09Å; T271-M274 PolarHBondContact O-N 3.47Å; M274-R277 PolarHBondContact O-N 3.04Å; M274-L278 WeakPolarHBondContact O-CG 3.41Å; M274-L278 PolarHBondContact O-N 2.97Å
275S84.7Confident86Confident57 Ų5769.8 Ų69.840%0.39934%0.342SS..Hα-helixtrans-63-42.9176.658.80000112.1T271 Y272 R277 L278 E279T271-S275 PolarHBondContact O-N 3.18Å; T271-S275 PolarHBondContact O-OG 2.87Å; Y272-S275 WeakPolarHBondContact CA-OG 3.16Å; Y272-S275 PolarHBondContact O-OG 2.81Å; S275-R277 VanDerWaalsContact C-N 3.33Å; S275-R277 PolarHBondContact O-N 3.03Å; S275-L278 PolarHBondContact O-N 3.3Å; S275-E279 WeakPolarHBondContact O-CB 3.41Å; S275-E279 PolarHBondContact O-N 3.39Å
276E84.6Confident85.5Confident19 Ų1972.3 Ų72.39%0.08936%0.358CS..Hα-helixtrans-65-35.8177.1-70.9-77.2172.200112.2L170 R241 Y272 R280L170-E276 HydrophobicContact CD2-CB 4.33Å; R241-E276 PolarHBondContact N-OE1 2.82Å; Y272-E276 VanDerWaalsContact O-CG 3.26Å; Y272-E276 WeakPolarHBondContact O-CG 3.33Å; Y272-E276 PolarHBondContact O-N 3.09Å; Y272-E276 VanDerWaalsContact O-N 3.14Å; E276-R280 WeakPolarHBondContact O-CB 3.26Å; E276-R280 PolarHBondContact O-N 3.32Å
277R85.3Confident84.8Confident120 Ų12076.7 Ų76.745%0.45338%0.378SS..Hα-helixtrans-64.4-48.2173.7-76.1176.1-173.4-177.32.8111.7L170 L273 M274 S275 R280 E281L170-R277 HydrophobicContact CB-CG 4.28Å; L170-R277 HydrophobicContact CD1-CB 4.3Å; L170-R277 HydrophobicContact CD1-CG 3.49Å; L170-R277 VanDerWaalsContact CD1-CG 3.49Å; L170-R277 PolarHBondContact O-NH2 3.19Å; L273-R277 WeakPolarHBondContact O-CG 3.22Å; L273-R277 PolarHBondContact O-N 3.24Å; M274-R277 PolarHBondContact O-N 3.04Å; S275-R277 VanDerWaalsContact C-N 3.33Å; S275-R277 PolarHBondContact O-N 3.03Å; R277-R280 PolarHBondContact O-N 3.39Å; R277-E281 WeakPolarHBondContact O-CG 3.49Å; R277-E281 PolarHBondContact O-N 3.14Å
278L86.4Confident84.4Confident112 Ų11276.1 Ų76.159%0.58638%0.378SS*.Hα-helixtrans-60.7-45.8178.5-74.2167.1000111.5M274 S275 R280 E281 E282M274-L278 WeakPolarHBondContact O-CG 3.41Å; M274-L278 PolarHBondContact O-N 2.97Å; S275-L278 PolarHBondContact O-N 3.3Å; L278-R280 VanDerWaalsContact C-N 3.3Å; L278-R280 PolarHBondContact O-N 3.03Å; L278-E281 PolarHBondContact O-N 3.37Å; L278-E282 WeakPolarHBondContact O-CB 3.49Å; L278-E282 PolarHBondContact O-N 3.29Å
279E85.3Confident84.2Confident61 Ų6178.6 Ų78.629%0.28539%0.385SS..Hα-helixtrans-63.3-36.8178.2-170.5-175.7159.500111.9R241 S275 R283R241-E279 IonicContact CZ-OE1 3.87Å; R241-E279 IonicContact NE-OE1 3Å; R241-E279 IonicContact NH2-OE1 2.79Å; R241-E279 PolarHBondContact NH2-OE1 3.3Å; S275-E279 WeakPolarHBondContact O-CB 3.41Å; S275-E279 PolarHBondContact O-N 3.39Å; E279-R283 WeakPolarHBondContact O-CG 3.45Å; E279-R283 PolarHBondContact O-N 3.1Å; E279-R283 VanDerWaalsContact O-N 3.09Å; E279-R283 PolarHBondContact O-NE 3.28Å
280R81.6Confident84.2Confident50 Ų5085.7 Ų85.719%0.18941%0.411CS..Hα-helixtrans-69.2-41.6175.9-169.7168.9-172148.77.4111.7E55 R168 E276 R277 L278 R283 N284E55-R280 PolarHBondContact O-NH1 3.19Å; E55-R280 VanDerWaalsContact O-NH1 3.11Å; E55-R280 PolarHBondContact O-NH2 2.82Å; E55-R280 IonicContact OE2-NH2 3.67Å; R168-R280 PolarHBondContact O-NH1 2.96Å; E276-R280 WeakPolarHBondContact O-CB 3.26Å; E276-R280 PolarHBondContact O-N 3.32Å; R277-R280 PolarHBondContact O-N 3.39Å; L278-R280 VanDerWaalsContact C-N 3.3Å; L278-R280 PolarHBondContact O-N 3.03Å; R280-R283 PolarHBondContact O-N 2.97Å; R280-N284 WeakPolarHBondContact O-CB 3.36Å; R280-N284 VanDerWaalsContact O-CG 3.27Å; R280-N284 PolarHBondContact O-N 3.03Å
281E83.5Confident84.2Confident111 Ų11189 Ų8952%0.51943%0.426SS..Hα-helixtrans-63.5-43.8175.3-76.5178.8-175.800111.7R277 L278 R283 N284 Q285R277-E281 WeakPolarHBondContact O-CG 3.49Å; R277-E281 PolarHBondContact O-N 3.14Å; L278-E281 PolarHBondContact O-N 3.37Å; E281-R283 VanDerWaalsContact C-N 3.35Å; E281-R283 PolarHBondContact O-N 2.85Å; E281-N284 PolarHBondContact O-N 3.45Å; E281-Q285 WeakPolarHBondContact O-CB 3.44Å; E281-Q285 VanDerWaalsContact O-CG 3.27Å; E281-Q285 WeakPolarHBondContact O-CG 3.28Å; E281-Q285 PolarHBondContact O-N 3.15Å
282E83.6Confident84.3Confident126 Ų12689.6 Ų89.659%0.58942%0.421SS*.Hα-helixtrans-60.5-43.4177.1-173.7-177.6175.900111.7L278 Q285 T286L278-E282 WeakPolarHBondContact O-CB 3.49Å; L278-E282 PolarHBondContact O-N 3.29Å; E282-Q285 PolarHBondContact O-N 3.41Å; E282-T286 WeakPolarHBondContact O-CB 3.46Å; E282-T286 PolarHBondContact O-N 3.4Å; E282-T286 PolarHBondContact O-OG1 3.4Å
283R81.6Confident84.2Confident82 Ų8290.6 Ų90.631%0.30943%0.43SS..Hα-helixtrans-62.8-46.2175.5-78.9-176.6-80.7127.2-9.9112.1E279 R280 E281 Q285 T286 Q287E279-R283 WeakPolarHBondContact O-CG 3.45Å; E279-R283 PolarHBondContact O-N 3.1Å; E279-R283 VanDerWaalsContact O-N 3.09Å; E279-R283 PolarHBondContact O-NE 3.28Å; R280-R283 PolarHBondContact O-N 2.97Å; E281-R283 VanDerWaalsContact C-N 3.35Å; E281-R283 PolarHBondContact O-N 2.85Å; R283-Q285 PolarHBondContact O-N 3.13Å; R283-T286 PolarHBondContact O-N 2.73Å; R283-Q287 WeakPolarHBondContact O-CG 3.36Å; R283-Q287 PolarHBondContact O-N 3.07Å
284N80.9Confident84.4Confident68 Ų6895 Ų9536%0.36445%0.453SS..Hα-helixtrans-61.3-44.7177.1-73.4-6.7000111.3R280 E281 T286 Q287 V288R280-N284 WeakPolarHBondContact O-CB 3.36Å; R280-N284 VanDerWaalsContact O-CG 3.27Å; R280-N284 PolarHBondContact O-N 3.03Å; E281-N284 PolarHBondContact O-N 3.45Å; N284-T286 VanDerWaalsContact C-N 3.33Å; N284-T286 PolarHBondContact O-N 3.11Å; N284-Q287 PolarHBondContact O-N 2.88Å; N284-V288 WeakPolarHBondContact O-CG2 3.49Å; N284-V288 PolarHBondContact O-N 3.37Å
285Q82.4Confident84.7Confident134 Ų13496 Ų9663%0.62646%0.457SS*.Hα-helixtrans-61.2-42.8176.3-74.1177.22.100111.5E281 E282 R283 Q287 V288 L289E281-Q285 WeakPolarHBondContact O-CB 3.44Å; E281-Q285 VanDerWaalsContact O-CG 3.27Å; E281-Q285 WeakPolarHBondContact O-CG 3.28Å; E281-Q285 PolarHBondContact O-N 3.15Å; E282-Q285 PolarHBondContact O-N 3.41Å; R283-Q285 PolarHBondContact O-N 3.13Å; Q285-Q287 PolarHBondContact O-N 2.82Å; Q285-V288 PolarHBondContact O-N 3.38Å; Q285-L289 VanDerWaalsContact O-CB 3.32Å; Q285-L289 WeakPolarHBondContact O-CB 3.32Å; Q285-L289 PolarHBondContact O-N 2.97Å
286T82.1Confident85.1Confident54 Ų5496.3 Ų96.333%0.33146%0.463SS..Hα-helixtrans-62.9-42.1177.4-590000111.6E282 R283 N284 L289 R290E282-T286 WeakPolarHBondContact O-CB 3.46Å; E282-T286 PolarHBondContact O-N 3.4Å; E282-T286 PolarHBondContact O-OG1 3.4Å; R283-T286 PolarHBondContact O-N 2.73Å; N284-T286 VanDerWaalsContact C-N 3.33Å; N284-T286 PolarHBondContact O-N 3.11Å; T286-L289 PolarHBondContact O-N 3.4Å; T286-R290 WeakPolarHBondContact O-CG 3.49Å; T286-R290 PolarHBondContact O-N 3.27Å
287Q76.9Confident85.5Confident103 Ų103102.8 Ų102.848%0.48149%0.487SS..Hα-helixtrans-64.1-48176.4-75175.8-7.600111.9R283 N284 Q285 L289 R290 Q291R283-Q287 WeakPolarHBondContact O-CG 3.36Å; R283-Q287 PolarHBondContact O-N 3.07Å; N284-Q287 PolarHBondContact O-N 2.88Å; Q285-Q287 PolarHBondContact O-N 2.82Å; Q287-L289 VanDerWaalsContact C-N 3.31Å; Q287-L289 PolarHBondContact O-N 3.49Å; Q287-R290 PolarHBondContact O-N 3.1Å; Q287-Q291 PolarHBondContact O-N 3.48Å
288V84.8Confident85.9Confident72 Ų72101.5 Ų101.544%0.43649%0.489SS..Hα-helixtrans-60.3-42.7177.8170.90000110.9N284 Q285 R290 Q291 Q292N284-V288 WeakPolarHBondContact O-CG2 3.49Å; N284-V288 PolarHBondContact O-N 3.37Å; Q285-V288 PolarHBondContact O-N 3.38Å; V288-R290 PolarHBondContact O-N 2.98Å; V288-Q291 PolarHBondContact O-N 3.24Å; V288-Q292 HydrophobicContact CG1-CG 4.49Å; V288-Q292 WeakPolarHBondContact O-CG 3.36Å; V288-Q292 PolarHBondContact O-N 3.16Å
289L86.3Confident86.3Confident92 Ų9298.3 Ų98.348%0.48248%0.478SS..Hα-helixtrans-63-42.6178.4-176.765.5000112Q285 T286 Q287 Q292 Q293Q285-L289 VanDerWaalsContact O-CB 3.32Å; Q285-L289 WeakPolarHBondContact O-CB 3.32Å; Q285-L289 PolarHBondContact O-N 2.97Å; T286-L289 PolarHBondContact O-N 3.4Å; Q287-L289 VanDerWaalsContact C-N 3.31Å; Q287-L289 PolarHBondContact O-N 3.49Å; L289-Q292 PolarHBondContact O-N 2.83Å; L289-Q293 WeakPolarHBondContact O-CG 3.3Å; L289-Q293 PolarHBondContact O-N 3.39Å
290R87.8Confident86.7Confident161 Ų16198.6 Ų98.661%0.60849%0.487SS*.Hα-helixtrans-62.4-45.7175.4-73.6175.7-175.7-1802.4111.4T286 Q287 V288 Q292 Q293 D294T286-R290 WeakPolarHBondContact O-CG 3.49Å; T286-R290 PolarHBondContact O-N 3.27Å; Q287-R290 PolarHBondContact O-N 3.1Å; V288-R290 PolarHBondContact O-N 2.98Å; R290-Q292 VanDerWaalsContact C-N 3.31Å; R290-Q292 PolarHBondContact O-N 3.33Å; R290-Q293 WeakPolarHBondContact O-CB 3.35Å; R290-Q293 PolarHBondContact O-N 3.38Å; R290-Q293 VanDerWaalsContact O-N 3.11Å; R290-D294 PolarHBondContact O-N 3.28Å
291Q86.7Confident87.4Confident132 Ų13299.2 Ų99.262%0.61749%0.494SS*.Hα-helixtrans-59.7-42177.9-172.7178.96.300112Q287 V288 D294 E295Q287-Q291 PolarHBondContact O-N 3.48Å; V288-Q291 PolarHBondContact O-N 3.24Å; Q291-D294 PolarHBondContact O-N 3.27Å; Q291-E295 WeakPolarHBondContact O-CB 3.25Å; Q291-E295 PolarHBondContact O-N 2.84Å
292Q88.6Confident87.9Confident116 Ų116101.1 Ų101.154%0.54250%0.497SS..Hα-helixtrans-64.3-39.3175.6-73.2176.9-3.700112.4V288 L289 R290 A296V288-Q292 HydrophobicContact CG1-CG 4.49Å; V288-Q292 WeakPolarHBondContact O-CG 3.36Å; V288-Q292 PolarHBondContact O-N 3.16Å; L289-Q292 PolarHBondContact O-N 2.83Å; R290-Q292 VanDerWaalsContact C-N 3.31Å; R290-Q292 PolarHBondContact O-N 3.33Å; Q292-A296 WeakPolarHBondContact O-CB 3.4Å; Q292-A296 PolarHBondContact O-N 3.45Å
293Q83.6Confident88.4Confident117 Ų11797.8 Ų97.855%0.54749%0.491SS..Hα-helixtrans-65.4-44.5175.7-72.4177.225.600111.7L289 R290 A296 Y297L289-Q293 WeakPolarHBondContact O-CG 3.3Å; L289-Q293 PolarHBondContact O-N 3.39Å; R290-Q293 WeakPolarHBondContact O-CB 3.35Å; R290-Q293 PolarHBondContact O-N 3.38Å; R290-Q293 VanDerWaalsContact O-N 3.11Å; Q293-A296 PolarHBondContact O-N 3Å; Q293-Y297 WeakPolarHBondContact O-CB 3.47Å; Q293-Y297 PolarHBondContact O-N 3.08Å
294D89.1Confident89.1Confident100 Ų10098.4 Ų98.454%0.53550%0.5SS..Hα-helixtrans-63.6-43178.7-69.1-22.8000111.3R290 Q291 Y297 L298R290-D294 PolarHBondContact O-N 3.28Å; Q291-D294 PolarHBondContact O-N 3.27Å; D294-Y297 PolarHBondContact O-N 3.45Å; D294-L298 WeakPolarHBondContact O-CB 3.4Å; D294-L298 VanDerWaalsContact O-CG 3.26Å; D294-L298 WeakPolarHBondContact O-CG 3.43Å; D294-L298 PolarHBondContact O-N 3.01Å
295E92.6Very high89.7Confident130 Ų130100.6 Ų100.661%0.60751%0.508SS*.Hα-helixtrans-62.1-45.7176.1-173.6178-176.600111.7Q291 Y297 L298 A299Q291-E295 WeakPolarHBondContact O-CB 3.25Å; Q291-E295 PolarHBondContact O-N 2.84Å; E295-Y297 PolarHBondContact O-N 3.33Å; E295-L298 PolarHBondContact O-N 2.96Å; E295-A299 WeakPolarHBondContact O-CB 3.44Å; E295-A299 PolarHBondContact O-N 2.89Å
296A93.7Very high90.2Very high63 Ų6398.6 Ų98.652%0.52150%0.498SS..Hα-helixtrans-63-41.5177.200000112Q292 Q293 A299 S300Q292-A296 WeakPolarHBondContact O-CB 3.4Å; Q292-A296 PolarHBondContact O-N 3.45Å; Q293-A296 PolarHBondContact O-N 3Å; A296-A299 PolarHBondContact O-N 2.71Å; A296-S300 PolarHBondContact O-N 2.96Å
297Y92.5Very high90.8Very high155 Ų155102 Ų10261%0.60851%0.509SS*.Hα-helixtrans-62.8-47.4176178.9-103.3000111.5Q293 D294 E295 A299 S300 L301Q293-Y297 WeakPolarHBondContact O-CB 3.47Å; Q293-Y297 PolarHBondContact O-N 3.08Å; D294-Y297 PolarHBondContact O-N 3.45Å; E295-Y297 PolarHBondContact O-N 3.33Å; Y297-A299 VanDerWaalsContact C-N 3.3Å; Y297-A299 PolarHBondContact O-N 2.99Å; Y297-S300 PolarHBondContact O-N 3.42Å; Y297-L301 HydrophobicContact CE1-CD2 4.47Å; Y297-L301 WeakPolarHBondContact O-CB 3.3Å; Y297-L301 PolarHBondContact O-N 3.42Å
298L93.7Very high91.6Very high93 Ų93101.7 Ų101.749%0.48751%0.507SS..Hα-helixtrans-63.2-35.6177.5-72173.4000112.5D294 E295 R302D294-L298 WeakPolarHBondContact O-CB 3.4Å; D294-L298 VanDerWaalsContact O-CG 3.26Å; D294-L298 WeakPolarHBondContact O-CG 3.43Å; D294-L298 PolarHBondContact O-N 3.01Å; E295-L298 PolarHBondContact O-N 2.96Å; L298-R302 WeakPolarHBondContact O-CB 3.39Å; L298-R302 WeakPolarHBondContact O-CG 3.37Å; L298-R302 PolarHBondContact O-N 2.95Å; L298-R302 VanDerWaalsContact O-N 3.1Å; L298-R302 PolarHBondContact O-NE 3.38Å; L298-R302 VanDerWaalsContact O-NE 3.17Å
299A94.3Very high92Very high44 Ų44107 Ų10736%0.36452%0.519SS..Hα-helixtrans-66.6-45174.200000111.6E295 A296 Y297 R302 A303E295-A299 WeakPolarHBondContact O-CB 3.44Å; E295-A299 PolarHBondContact O-N 2.89Å; A296-A299 PolarHBondContact O-N 2.71Å; Y297-A299 VanDerWaalsContact C-N 3.3Å; Y297-A299 PolarHBondContact O-N 2.99Å; A299-R302 PolarHBondContact O-N 3.15Å; A299-A303 PolarHBondContact O-N 3.38Å
300S95.1Very high92.4Very high67 Ų67108.7 Ų108.747%0.46952%0.523SS..Hα-helixtrans-61.6-45.4175.7-167.80000111.6A296 Y297 R302 A303 D304A296-S300 PolarHBondContact O-N 2.96Å; Y297-S300 PolarHBondContact O-N 3.42Å; S300-R302 VanDerWaalsContact C-N 3.32Å; S300-R302 PolarHBondContact O-N 2.96Å; S300-A303 WeakPolarHBondContact O-CB 3.4Å; S300-A303 PolarHBondContact O-N 3.35Å; S300-A303 VanDerWaalsContact O-N 3.15Å; S300-D304 PolarHBondContact O-N 2.89Å
301L94.9Very high92.7Very high64 Ų64106.9 Ų106.934%0.33552%0.52SS..Hα-helixtrans-60.6-42.2179.4-175.665000111.6Y297 D304 Q305Y297-L301 HydrophobicContact CE1-CD2 4.47Å; Y297-L301 WeakPolarHBondContact O-CB 3.3Å; Y297-L301 PolarHBondContact O-N 3.42Å; L301-D304 PolarHBondContact O-N 2.87Å; L301-Q305 WeakPolarHBondContact O-CB 3.42Å; L301-Q305 VanDerWaalsContact O-CG 3.27Å; L301-Q305 WeakPolarHBondContact O-CG 3.43Å; L301-Q305 PolarHBondContact O-N 2.79Å
302R94.6Very high93Very high151 Ų151108.2 Ų108.257%0.5752%0.519SS*.Hα-helixtrans-62.7-42.6175-80.8-179.2-82.5129.1-9.2112.1L298 A299 S300 Q305 E306L298-R302 WeakPolarHBondContact O-CB 3.39Å; L298-R302 WeakPolarHBondContact O-CG 3.37Å; L298-R302 PolarHBondContact O-N 2.95Å; L298-R302 VanDerWaalsContact O-N 3.1Å; L298-R302 PolarHBondContact O-NE 3.38Å; L298-R302 VanDerWaalsContact O-NE 3.17Å; A299-R302 PolarHBondContact O-N 3.15Å; S300-R302 VanDerWaalsContact C-N 3.32Å; S300-R302 PolarHBondContact O-N 2.96Å; R302-Q305 PolarHBondContact O-N 2.93Å; R302-E306 WeakPolarHBondContact O-CB 3.46Å; R302-E306 PolarHBondContact O-N 3.18Å
303A95.1Very high93.2Very high56 Ų56105 Ų10546%0.46351%0.512SS..Hα-helixtrans-63.5-42.1177.900000112A299 S300 E306 K307A299-A303 PolarHBondContact O-N 3.38Å; S300-A303 WeakPolarHBondContact O-CB 3.4Å; S300-A303 PolarHBondContact O-N 3.35Å; S300-A303 VanDerWaalsContact O-N 3.15Å; A303-E306 PolarHBondContact O-N 3.36Å; A303-K307 WeakPolarHBondContact O-CB 3.41Å; A303-K307 PolarHBondContact O-N 2.88Å
304D95.4Very high93.7Very high94 Ų94104 Ų10450%0.50351%0.507SS..Hα-helixtrans-66.2-43.9177.2-76.1-25.1000111.9S300 L301 E306 K307 E308S300-D304 PolarHBondContact O-N 2.89Å; L301-D304 PolarHBondContact O-N 2.87Å; D304-E306 PolarHBondContact O-N 3.28Å; D304-K307 PolarHBondContact O-N 3.38Å; D304-E308 WeakPolarHBondContact O-CB 3.34Å; D304-E308 PolarHBondContact O-N 2.79Å
305Q93.1Very high93.8Very high115 Ų115104.4 Ų104.454%0.53751%0.507SS..Hα-helixtrans-60.6-42.6174.7-74.6176.8-2.400112.2L301 R302 E308 R309L301-Q305 WeakPolarHBondContact O-CB 3.42Å; L301-Q305 VanDerWaalsContact O-CG 3.27Å; L301-Q305 WeakPolarHBondContact O-CG 3.43Å; L301-Q305 PolarHBondContact O-N 2.79Å; R302-Q305 PolarHBondContact O-N 2.93Å; Q305-E308 PolarHBondContact O-N 3.25Å; Q305-R309 WeakPolarHBondContact O-CB 3.35Å; Q305-R309 PolarHBondContact O-N 2.77Å
306E93.9Very high93.8Very high91 Ų91103.9 Ų103.943%0.42551%0.505SS..Hα-helixtrans-67.7-40.5179.1-164.1-171.2155.300111.6R302 A303 D304 E308 R309 K310R302-E306 WeakPolarHBondContact O-CB 3.46Å; R302-E306 PolarHBondContact O-N 3.18Å; A303-E306 PolarHBondContact O-N 3.36Å; D304-E306 PolarHBondContact O-N 3.28Å; E306-E308 VanDerWaalsContact C-N 3.34Å; E306-R309 PolarHBondContact O-N 2.83Å; E306-K310 HydrophobicContact CG-CD 4.43Å; E306-K310 WeakPolarHBondContact O-CB 3.38Å; E306-K310 WeakPolarHBondContact O-CG 3.44Å; E306-K310 PolarHBondContact O-N 3.24Å; E306-K310 VanDerWaalsContact OE1-CE 3.27Å; E306-K310 WeakPolarHBondContact OE1-CE 3.44Å; E306-K310 IonicContact OE1-NZ 3.59Å; E306-K310 PolarHBondContact OE1-NZ 3.15Å
307K94.7Very high93.7Very high125 Ų125107 Ų10754%0.54351%0.509SS..Hα-helixtrans-63.1-41.3175.6-171.7177.6-175.3178.10111.4A303 D304 K311A303-K307 WeakPolarHBondContact O-CB 3.41Å; A303-K307 PolarHBondContact O-N 2.88Å; D304-K307 PolarHBondContact O-N 3.38Å; K307-K311 WeakPolarHBondContact O-CG 3.3Å; K307-K311 PolarHBondContact O-N 2.83Å
308E93.2Very high93.7Very high98 Ų98106.2 Ų106.246%0.45851%0.505SS..Hα-helixtrans-65.6-43.5175.4-166.5179.1-175.800111.6D304 Q305 E306 K310 K311 R312D304-E308 WeakPolarHBondContact O-CB 3.34Å; D304-E308 PolarHBondContact O-N 2.79Å; Q305-E308 PolarHBondContact O-N 3.25Å; E306-E308 VanDerWaalsContact C-N 3.34Å; E308-K310 PolarHBondContact O-N 3.16Å; E308-K311 PolarHBondContact O-N 3.19Å; E308-R312 WeakPolarHBondContact O-CG 3.36Å; E308-R312 PolarHBondContact O-N 3.29Å; E308-R312 IonicContact OE1-CZ 3.5Å; E308-R312 IonicContact OE1-NE 2.98Å; E308-R312 PolarHBondContact OE1-NE 3.22Å; E308-R312 IonicContact OE1-NH2 3.83Å; E308-R312 PolarHBondContact OE1-NH2 3.21Å; E308-R312 IonicContact OE2-NH2 3.44Å
309R92.5Very high93.6Very high182 Ų182108.2 Ų108.269%0.68751%0.51SS*.Hα-helixtrans-60.5-43.8176.3-165.1179.980.1173.53.7111.9Q305 E306 R312 A313Q305-R309 WeakPolarHBondContact O-CB 3.35Å; Q305-R309 PolarHBondContact O-N 2.77Å; E306-R309 PolarHBondContact O-N 2.83Å; R309-R312 PolarHBondContact O-N 3.03Å; R309-A313 WeakPolarHBondContact O-CB 3.38Å; R309-A313 PolarHBondContact O-N 3.19Å
310K94.8Very high93.4Very high128 Ų128111.1 Ų111.156%0.55752%0.516SS*.Hα-helixtrans-61-46.5176-79.9171.3168.71630111.6E306 E308 R312 A313 E314E306-K310 HydrophobicContact CG-CD 4.43Å; E306-K310 WeakPolarHBondContact O-CB 3.38Å; E306-K310 WeakPolarHBondContact O-CG 3.44Å; E306-K310 PolarHBondContact O-N 3.24Å; E306-K310 VanDerWaalsContact OE1-CE 3.27Å; E306-K310 WeakPolarHBondContact OE1-CE 3.44Å; E306-K310 IonicContact OE1-NZ 3.59Å; E306-K310 PolarHBondContact OE1-NZ 3.15Å; E308-K310 PolarHBondContact O-N 3.16Å; K310-R312 PolarHBondContact O-N 3.3Å; K310-A313 PolarHBondContact O-N 3.38Å; K310-E314 PolarHBondContact O-N 3.38Å
311K94.4Very high93.3Very high124 Ų124114.3 Ų114.354%0.53952%0.523SS..Hα-helixtrans-61.6-43.4176.3-75.4178.9176.3-173.50112.7K307 E308 E314 M315K307-K311 WeakPolarHBondContact O-CG 3.3Å; K307-K311 PolarHBondContact O-N 2.83Å; E308-K311 PolarHBondContact O-N 3.19Å; K311-E314 PolarHBondContact O-N 3.26Å; K311-M315 VanDerWaalsContact O-CG 3.28Å; K311-M315 WeakPolarHBondContact O-CG 3.3Å; K311-M315 PolarHBondContact O-N 3.42Å
312R92.7Very high93.1Very high160 Ų160116.5 Ų116.560%0.60453%0.532SS*.Hα-helixtrans-62.7-45.8177.1-71.8-179.7-172.1-1723.2111.1E308 R309 K310 E314 M315 E316E308-R312 WeakPolarHBondContact O-CG 3.36Å; E308-R312 PolarHBondContact O-N 3.29Å; E308-R312 IonicContact OE1-CZ 3.5Å; E308-R312 IonicContact OE1-NE 2.98Å; E308-R312 PolarHBondContact OE1-NE 3.22Å; E308-R312 IonicContact OE1-NH2 3.83Å; E308-R312 PolarHBondContact OE1-NH2 3.21Å; E308-R312 IonicContact OE2-NH2 3.44Å; R309-R312 PolarHBondContact O-N 3.03Å; K310-R312 PolarHBondContact O-N 3.3Å; R312-E314 PolarHBondContact O-N 2.75Å; R312-M315 PolarHBondContact O-N 2.92Å; R312-E316 WeakPolarHBondContact O-CB 3.35Å; R312-E316 PolarHBondContact O-N 3.32Å
313A93.8Very high92.8Very high49 Ų49113.4 Ų113.441%0.40552%0.524SS..Hα-helixtrans-61.4-41.7177.600000112.6R309 K310 E316 Q317R309-A313 WeakPolarHBondContact O-CB 3.38Å; R309-A313 PolarHBondContact O-N 3.19Å; K310-A313 PolarHBondContact O-N 3.38Å; A313-E316 PolarHBondContact O-N 3.45Å; A313-Q317 WeakPolarHBondContact O-CB 3.45Å; A313-Q317 WeakPolarHBondContact O-CG 3.26Å; A313-Q317 PolarHBondContact O-N 3.16Å
314E93.8Very high92.7Very high94 Ų94117.6 Ų117.644%0.43953%0.531SS..Hα-helixtrans-64.8-42.3176.9-170.8-178175.500112K310 K311 R312 Q317 R318K310-E314 PolarHBondContact O-N 3.38Å; K311-E314 PolarHBondContact O-N 3.26Å; R312-E314 PolarHBondContact O-N 2.75Å; E314-Q317 PolarHBondContact O-N 3.26Å; E314-R318 WeakPolarHBondContact O-CG 3.28Å; E314-R318 PolarHBondContact O-N 3Å; E314-R318 IonicContact OE1-CZ 3.72Å; E314-R318 IonicContact OE1-NE 2.79Å; E314-R318 IonicContact OE1-NH2 3.77Å; E314-R318 PolarHBondContact OE1-NH2 3.46Å
315M91.4Very high92.5Very high109 Ų109117.4 Ų117.454%0.53753%0.533SS..Hα-helixtrans-64.9-38.9175.7-70.3-67.6-68.900112.2K311 R312 K319K311-M315 VanDerWaalsContact O-CG 3.28Å; K311-M315 WeakPolarHBondContact O-CG 3.3Å; K311-M315 PolarHBondContact O-N 3.42Å; R312-M315 PolarHBondContact O-N 2.92Å; M315-K319 WeakPolarHBondContact O-CG 3.41Å; M315-K319 PolarHBondContact O-N 2.79Å
316E91.9Very high92.4Very high119 Ų119119 Ų11956%0.55654%0.535SS*.Hα-helixtrans-64-45.6175.3-158.394.4-151.900111R312 A313 K319 Q320R312-E316 WeakPolarHBondContact O-CB 3.35Å; R312-E316 PolarHBondContact O-N 3.32Å; A313-E316 PolarHBondContact O-N 3.45Å; E316-K319 PolarHBondContact O-N 3.04Å; E316-Q320 WeakPolarHBondContact O-CG 3.48Å; E316-Q320 PolarHBondContact O-N 2.87Å
317Q91.8Very high92.1Very high130 Ų130119.8 Ų119.861%0.60754%0.538SS*.Hα-helixtrans-61.7-46.4177.7-76.6179.1-8.800111.8A313 E314 K319 Q320 E321A313-Q317 WeakPolarHBondContact O-CB 3.45Å; A313-Q317 WeakPolarHBondContact O-CG 3.26Å; A313-Q317 PolarHBondContact O-N 3.16Å; E314-Q317 PolarHBondContact O-N 3.26Å; Q317-K319 VanDerWaalsContact C-N 3.34Å; Q317-K319 PolarHBondContact O-N 3.49Å; Q317-Q320 PolarHBondContact O-N 3Å; Q317-E321 WeakPolarHBondContact O-CB 3.26Å; Q317-E321 PolarHBondContact O-N 3.38Å
318R92.9Very high91.7Very high137 Ų137117.3 Ų117.352%0.51754%0.537SS..Hα-helixtrans-59.6-43.6176-72.3178.4-173.7-161.43112E314 E321 E322E314-R318 WeakPolarHBondContact O-CG 3.28Å; E314-R318 PolarHBondContact O-N 3Å; E314-R318 IonicContact OE1-CZ 3.72Å; E314-R318 IonicContact OE1-NE 2.79Å; E314-R318 IonicContact OE1-NH2 3.77Å; E314-R318 PolarHBondContact OE1-NH2 3.46Å; R318-E321 PolarHBondContact O-N 3.49Å; R318-E322 WeakPolarHBondContact O-CB 3.05Å; R318-E322 WeakPolarHBondContact O-CG 3.47Å; R318-E322 PolarHBondContact O-N 2.95Å
319K91.3Very high91.5Very high136 Ų136115.4 Ų115.459%0.59154%0.538SS*.Hα-helixtrans-62.6-43175.8-76.7179.4180-1770112.5M315 E316 Q317 E321 E322 E323M315-K319 WeakPolarHBondContact O-CG 3.41Å; M315-K319 PolarHBondContact O-N 2.79Å; E316-K319 PolarHBondContact O-N 3.04Å; Q317-K319 VanDerWaalsContact C-N 3.34Å; Q317-K319 PolarHBondContact O-N 3.49Å; K319-E321 VanDerWaalsContact C-N 3.32Å; K319-E322 PolarHBondContact O-N 3.12Å; K319-E323 VanDerWaalsContact O-CB 3.26Å; K319-E323 WeakPolarHBondContact O-CB 3.33Å; K319-E323 PolarHBondContact O-N 3.29Å
320Q90.9Very high91.5Very high104 Ų104111.4 Ų111.449%0.48653%0.53SS..Hα-helixtrans-64.8-37.7177.6-73.6179.69.500112E316 Q317 K324E316-Q320 WeakPolarHBondContact O-CG 3.48Å; E316-Q320 PolarHBondContact O-N 2.87Å; Q317-Q320 PolarHBondContact O-N 3Å; Q320-K324 WeakPolarHBondContact O-CB 3.5Å; Q320-K324 VanDerWaalsContact O-CG 3.26Å; Q320-K324 WeakPolarHBondContact O-CG 3.1Å; Q320-K324 PolarHBondContact O-N 3.21Å
321E90.9Very high91.2Very high134 Ų134108.1 Ų108.163%0.62653%0.526SS*.Hα-helixtrans-68.9-46176.8-168165.2-160.700111.6Q317 R318 K319 E323 K324 V325Q317-E321 WeakPolarHBondContact O-CB 3.26Å; Q317-E321 PolarHBondContact O-N 3.38Å; R318-E321 PolarHBondContact O-N 3.49Å; K319-E321 VanDerWaalsContact C-N 3.32Å; E321-E323 VanDerWaalsContact C-N 3.32Å; E321-E323 PolarHBondContact O-N 3.25Å; E321-K324 PolarHBondContact O-N 2.71Å; E321-V325 WeakPolarHBondContact O-CG2 3.47Å; E321-V325 PolarHBondContact O-N 3.39Å
322E91.2Very high90.8Very high110 Ų110106.8 Ų106.851%0.51452%0.522SS..Hα-helixtrans-58.9-42.1173.4-74.9177.6-165.700112.2R318 K319 V325 R326R318-E322 WeakPolarHBondContact O-CB 3.05Å; R318-E322 WeakPolarHBondContact O-CG 3.47Å; R318-E322 PolarHBondContact O-N 2.95Å; K319-E322 PolarHBondContact O-N 3.12Å; E322-V325 PolarHBondContact O-N 2.83Å; E322-R326 WeakPolarHBondContact O-CG 3.27Å; E322-R326 PolarHBondContact O-N 3.06Å
323E89.8Confident90.6Very high87 Ų87104.6 Ų104.641%0.40752%0.518SS..Hα-helixtrans-67.4-41.2178.7-173.259.9-158.500111.7K319 E321 V325 R326 Q327K319-E323 VanDerWaalsContact O-CB 3.26Å; K319-E323 WeakPolarHBondContact O-CB 3.33Å; K319-E323 PolarHBondContact O-N 3.29Å; E321-E323 VanDerWaalsContact C-N 3.32Å; E321-E323 PolarHBondContact O-N 3.25Å; E323-V325 PolarHBondContact O-N 3.27Å; E323-R326 PolarHBondContact O-N 3.03Å; E323-Q327 WeakPolarHBondContact O-CB 3.43Å; E323-Q327 VanDerWaalsContact O-CG 3.29Å; E323-Q327 WeakPolarHBondContact O-CG 3.44Å; E323-Q327 PolarHBondContact O-N 3.11Å; E323-Q327 PolarHBondContact OE1-NE2 3.01Å
324K91.1Very high90.4Very high143 Ų143107.4 Ų107.462%0.62253%0.525SS*.Hα-helixtrans-60.7-44173.6-77.8174.8-177.6-179.90111.8Q320 E321 Q327 S328Q320-K324 WeakPolarHBondContact O-CB 3.5Å; Q320-K324 VanDerWaalsContact O-CG 3.26Å; Q320-K324 WeakPolarHBondContact O-CG 3.1Å; Q320-K324 PolarHBondContact O-N 3.21Å; E321-K324 PolarHBondContact O-N 2.71Å; K324-Q327 PolarHBondContact O-N 3.19Å; K324-S328 WeakPolarHBondContact O-CB 3.48Å; K324-S328 PolarHBondContact O-N 3.01Å; K324-S328 PolarHBondContact O-OG 3.48Å
325V92.9Very high90Very high90 Ų90109 Ų10955%0.54553%0.527SS..Hα-helixtrans-61.9-46.5177172.20000110.2E321 E322 E323 Q327 S328 A329E321-V325 WeakPolarHBondContact O-CG2 3.47Å; E321-V325 PolarHBondContact O-N 3.39Å; E322-V325 PolarHBondContact O-N 2.83Å; E323-V325 PolarHBondContact O-N 3.27Å; V325-Q327 PolarHBondContact O-N 3.19Å; V325-S328 PolarHBondContact O-N 3.26Å; V325-S328 PolarHBondContact O-OG 2.91Å; V325-A329 PolarHBondContact O-N 3.48Å
326R89.9Confident89.6Confident149 Ų149111.1 Ų111.156%0.56253%0.529SS*.Hα-helixtrans-60.7-45.4176.6-74.3176-175.5178.64.8112.6E322 E323 S328 A329 L330E322-R326 WeakPolarHBondContact O-CG 3.27Å; E322-R326 PolarHBondContact O-N 3.06Å; E323-R326 PolarHBondContact O-N 3.03Å; R326-S328 VanDerWaalsContact C-N 3.34Å; R326-S328 PolarHBondContact O-N 3.35Å; R326-A329 PolarHBondContact O-N 2.99Å; R326-L330 WeakPolarHBondContact O-CB 3.33Å; R326-L330 WeakPolarHBondContact O-CG 3.39Å; R326-L330 PolarHBondContact O-N 2.89Å
327Q88.1Confident89.4Confident108 Ų108113.1 Ų113.151%0.50553%0.532SS..Hα-helixtrans-62.8-41.3178.4-73.9178.18.400111.7E323 K324 V325 L330 A331E323-Q327 WeakPolarHBondContact O-CB 3.43Å; E323-Q327 VanDerWaalsContact O-CG 3.29Å; E323-Q327 WeakPolarHBondContact O-CG 3.44Å; E323-Q327 PolarHBondContact O-N 3.11Å; E323-Q327 PolarHBondContact OE1-NE2 3.01Å; K324-Q327 PolarHBondContact O-N 3.19Å; V325-Q327 PolarHBondContact O-N 3.19Å; Q327-L330 PolarHBondContact O-N 3.35Å; Q327-A331 VanDerWaalsContact O-CB 3.31Å; Q327-A331 WeakPolarHBondContact O-CB 3.18Å; Q327-A331 PolarHBondContact O-N 3.06Å
328S85.3Confident89Confident72 Ų72110.1 Ų110.150%0.50352%0.522SS..Hα-helixtrans-64.4-40.5176.269.80000112.6K324 V325 R326 A331 E332K324-S328 WeakPolarHBondContact O-CB 3.48Å; K324-S328 PolarHBondContact O-N 3.01Å; K324-S328 PolarHBondContact O-OG 3.48Å; V325-S328 PolarHBondContact O-N 3.26Å; V325-S328 PolarHBondContact O-OG 2.91Å; R326-S328 VanDerWaalsContact C-N 3.34Å; R326-S328 PolarHBondContact O-N 3.35Å; S328-A331 PolarHBondContact O-N 3.2Å; S328-E332 WeakPolarHBondContact O-CB 3.3Å; S328-E332 PolarHBondContact O-N 3.36Å
329A90Very high88.6Confident58 Ų58105.5 Ų105.548%0.47951%0.508SS..Hα-helixtrans-66.6-43.1177.400000112.1V325 R326 E332 E333V325-A329 PolarHBondContact O-N 3.48Å; R326-A329 PolarHBondContact O-N 2.99Å; A329-E332 PolarHBondContact O-N 3.37Å; A329-E333 PolarHBondContact O-N 2.98Å
330L91.6Very high88.2Confident99 Ų99103.6 Ų103.652%0.51850%0.501SS..Hα-helixtrans-64.8-41.7176.1-71.6171.7000111.9R326 Q327 E332 E333 I334R326-L330 WeakPolarHBondContact O-CB 3.33Å; R326-L330 WeakPolarHBondContact O-CG 3.39Å; R326-L330 PolarHBondContact O-N 2.89Å; Q327-L330 PolarHBondContact O-N 3.35Å; L330-E332 VanDerWaalsContact C-N 3.31Å; L330-E332 PolarHBondContact O-N 2.9Å; L330-E333 PolarHBondContact O-N 2.93Å; L330-I334 VanDerWaalsContact O-CG1 3.26Å; L330-I334 WeakPolarHBondContact O-CG1 3.18Å; L330-I334 PolarHBondContact O-N 3.44Å
331A88.9Confident87.9Confident58 Ų58103.7 Ų103.748%0.47950%0.501SS..Hα-helixtrans-61.7-40.8176.800000111.7Q327 S328 R335Q327-A331 VanDerWaalsContact O-CB 3.31Å; Q327-A331 WeakPolarHBondContact O-CB 3.18Å; Q327-A331 PolarHBondContact O-N 3.06Å; S328-A331 PolarHBondContact O-N 3.2Å; A331-R335 WeakPolarHBondContact O-CB 3.49Å; A331-R335 PolarHBondContact O-N 3.02Å
332E86.9Confident87.5Confident97 Ų97101.6 Ų101.645%0.45349%0.492SS..Hα-helixtrans-68.2-39177.3-17460-169.800112.5S328 A329 L330 R335 R336S328-E332 WeakPolarHBondContact O-CB 3.3Å; S328-E332 PolarHBondContact O-N 3.36Å; A329-E332 PolarHBondContact O-N 3.37Å; L330-E332 VanDerWaalsContact C-N 3.31Å; L330-E332 PolarHBondContact O-N 2.9Å; E332-R335 VanDerWaalsContact CD-NH2 3.32Å; E332-R335 PolarHBondContact O-N 3.48Å; E332-R335 IonicContact OE1-CZ 3.73Å; E332-R335 IonicContact OE1-NE 3.93Å; E332-R335 IonicContact OE1-NH2 2.74Å; E332-R335 PolarHBondContact OE1-NH2 3.23Å; E332-R335 IonicContact OE2-CZ 3.42Å; E332-R335 IonicContact OE2-NE 3.55Å; E332-R335 PolarHBondContact OE2-NE 3.39Å; E332-R335 IonicContact OE2-NH2 2.81Å; E332-R335 PolarHBondContact OE2-NH2 3.02Å; E332-R335 VanDerWaalsContact OE2-NH2 3.13Å; E332-R336 PolarHBondContact O-N 2.94Å
333E87.9Confident87.1Confident114 Ų11498.1 Ų98.153%0.53348%0.475SS..Hα-helixtrans-65.8-44.1175.5-173174.7-169.400112.1A329 L330 R335 R336 R337A329-E333 PolarHBondContact O-N 2.98Å; L330-E333 PolarHBondContact O-N 2.93Å; E333-R335 VanDerWaalsContact C-N 3.34Å; E333-R335 PolarHBondContact O-N 2.89Å; E333-R336 PolarHBondContact O-N 3.1Å; E333-R337 PolarHBondContact O-N 2.85Å
334I89.4Confident86.7Confident108 Ų10899.9 Ų99.955%0.55448%0.483SS*.Hα-helixtrans-60.2-46.7175.2-68.6165.9000109.9L330 R336 R337 T338L330-I334 VanDerWaalsContact O-CG1 3.26Å; L330-I334 WeakPolarHBondContact O-CG1 3.18Å; L330-I334 PolarHBondContact O-N 3.44Å; I334-R336 VanDerWaalsContact C-N 3.33Å; I334-R336 PolarHBondContact O-N 3.39Å; I334-R337 PolarHBondContact O-N 2.96Å; I334-T338 HydrophobicContact CG2-CG2 4.23Å; I334-T338 WeakPolarHBondContact O-CG2 3.19Å; I334-T338 PolarHBondContact O-N 2.99Å; I334-T338 PolarHBondContact O-OG1 3.12Å; I334-T338 VanDerWaalsContact O-OG1 3.09Å
335R85.5Confident86.4Confident126 Ų126100.3 Ų100.348%0.47548%0.481SS..Hα-helixtrans-56.4-46.5178.9-173.5176.177.6104.4-0111.7A331 E332 E333 T338 L339A331-R335 WeakPolarHBondContact O-CB 3.49Å; A331-R335 PolarHBondContact O-N 3.02Å; E332-R335 VanDerWaalsContact CD-NH2 3.32Å; E332-R335 PolarHBondContact O-N 3.48Å; E332-R335 IonicContact OE1-CZ 3.73Å; E332-R335 IonicContact OE1-NE 3.93Å; E332-R335 IonicContact OE1-NH2 2.74Å; E332-R335 PolarHBondContact OE1-NH2 3.23Å; E332-R335 IonicContact OE2-CZ 3.42Å; E332-R335 IonicContact OE2-NE 3.55Å; E332-R335 PolarHBondContact OE2-NE 3.39Å; E332-R335 IonicContact OE2-NH2 2.81Å; E332-R335 PolarHBondContact OE2-NH2 3.02Å; E332-R335 VanDerWaalsContact OE2-NH2 3.13Å; E333-R335 VanDerWaalsContact C-N 3.34Å; E333-R335 PolarHBondContact O-N 2.89Å; R335-T338 WeakPolarHBondContact CA-OG1 3.39Å; R335-T338 PolarHBondContact O-N 3.2Å; R335-T338 PolarHBondContact O-OG1 3.43Å; R335-L339 WeakPolarHBondContact O-CB 3.3Å; R335-L339 PolarHBondContact O-N 2.87Å; R335-L339 VanDerWaalsContact O-N 3.1Å
336R84Confident85.8Confident154 Ų15498.1 Ų98.158%0.58146%0.464SS*.Hα-helixtrans-62.7-45.1178.2-165.6179.976.9-157.8-3.7111.6E332 E333 I334 L339 E340E332-R336 PolarHBondContact O-N 2.94Å; E333-R336 PolarHBondContact O-N 3.1Å; I334-R336 VanDerWaalsContact C-N 3.33Å; I334-R336 PolarHBondContact O-N 3.39Å; R336-L339 PolarHBondContact O-N 3.07Å; R336-E340 IonicContact NE-OE1 2.7Å; R336-E340 WeakPolarHBondContact O-CG 3.47Å; R336-E340 PolarHBondContact O-N 3.08Å
337R86.1Confident85.3Confident162 Ų16293.6 Ų93.661%0.61146%0.455SS*.Hα-helixtrans-63.3-45.4179.4-166.3-174-157148.710.3112.2E333 I334 L339 E340 E341E333-R337 PolarHBondContact O-N 2.85Å; I334-R337 PolarHBondContact O-N 2.96Å; R337-L339 VanDerWaalsContact C-N 3.27Å; R337-L339 PolarHBondContact O-N 3.41Å; R337-E340 PolarHBondContact O-N 3.48Å; R337-E341 IonicContact NE-OE1 3.78Å; R337-E341 WeakPolarHBondContact O-CG 3.22Å; R337-E341 PolarHBondContact O-N 2.77Å
338T84.9Confident84.9Confident66 Ų6696.1 Ų96.141%0.40547%0.467SS..Hα-helixtrans-61.5-38.4178.149.90000111.8I334 R335 E342I334-T338 HydrophobicContact CG2-CG2 4.23Å; I334-T338 WeakPolarHBondContact O-CG2 3.19Å; I334-T338 PolarHBondContact O-N 2.99Å; I334-T338 PolarHBondContact O-OG1 3.12Å; I334-T338 VanDerWaalsContact O-OG1 3.09Å; R335-T338 WeakPolarHBondContact CA-OG1 3.39Å; R335-T338 PolarHBondContact O-N 3.2Å; R335-T338 PolarHBondContact O-OG1 3.43Å; T338-E342 WeakPolarHBondContact O-CB 3.45Å; T338-E342 WeakPolarHBondContact O-CG 3.46Å; T338-E342 PolarHBondContact O-N 3Å
339L83.1Confident84.5Confident40 Ų4097.8 Ų97.821%0.20948%0.477CS..Hα-helixtrans-65.8-43.5176.4-171.882.7000111.4R335 R336 R337 E342 K343 F392 E399R335-L339 WeakPolarHBondContact O-CB 3.3Å; R335-L339 PolarHBondContact O-N 2.87Å; R335-L339 VanDerWaalsContact O-N 3.1Å; R336-L339 PolarHBondContact O-N 3.07Å; R337-L339 VanDerWaalsContact C-N 3.27Å; R337-L339 PolarHBondContact O-N 3.41Å; L339-E342 PolarHBondContact O-N 3.34Å; L339-K343 WeakPolarHBondContact O-CG 3.13Å; L339-K343 PolarHBondContact O-N 2.94Å; L339-F392 HydrophobicContact CD1-CZ 4.46Å; L339-E399 HydrophobicContact CD2-CG 4.01Å; L339-E399 VanDerWaalsContact CD2-OE1 3.31Å; L339-E399 WeakPolarHBondContact CD2-OE1 3.31Å
340E83.4Confident84.1Confident97 Ų9796.4 Ų96.445%0.45346%0.461SS..Hα-helixtrans-61.6-47.5176.7-74.5171.9-17100111.7R336 R337 E342 K343 E344R336-E340 IonicContact NE-OE1 2.7Å; R336-E340 WeakPolarHBondContact O-CG 3.47Å; R336-E340 PolarHBondContact O-N 3.08Å; R337-E340 PolarHBondContact O-N 3.48Å; E340-E342 VanDerWaalsContact C-N 3.32Å; E340-E342 PolarHBondContact O-N 3.46Å; E340-K343 PolarHBondContact O-N 3.38Å; E340-E344 PolarHBondContact O-N 2.64Å
341E85.8Confident83.5Confident105 Ų10593.3 Ų93.349%0.49145%0.448SS..Hα-helixtrans-60.9-38.9177-72.2174-173.200112R337 E344 R345R337-E341 IonicContact NE-OE1 3.78Å; R337-E341 WeakPolarHBondContact O-CG 3.22Å; R337-E341 PolarHBondContact O-N 2.77Å; E341-E344 PolarHBondContact O-N 3.11Å; E341-R345 WeakPolarHBondContact O-CB 3.4Å; E341-R345 PolarHBondContact O-N 3.1Å
342E82.8Confident83Confident90 Ų9096.1 Ų96.142%0.42146%0.461SS..Hα-helixtrans-66.3-39.7175.2-78.7-169.9166.500113T338 L339 E340 K346 F392T338-E342 WeakPolarHBondContact O-CB 3.45Å; T338-E342 WeakPolarHBondContact O-CG 3.46Å; T338-E342 PolarHBondContact O-N 3Å; L339-E342 PolarHBondContact O-N 3.34Å; E340-E342 VanDerWaalsContact C-N 3.32Å; E340-E342 PolarHBondContact O-N 3.46Å; E342-K346 WeakPolarHBondContact O-CB 3.47Å; E342-K346 WeakPolarHBondContact O-CG 3.48Å; E342-K346 PolarHBondContact O-N 2.8Å; E342-F392 HydrophobicContact CB-CE1 4.4Å
343K81.8Confident82.7Confident38 Ų3895.8 Ų95.817%0.16546%0.459CS..Hα-helixtrans-63.5-43.3175-73.4-172.6175.7-163.70111.1L339 E340 S347 F392L339-K343 WeakPolarHBondContact O-CG 3.13Å; L339-K343 PolarHBondContact O-N 2.94Å; E340-K343 PolarHBondContact O-N 3.38Å; K343-S347 PolarHBondContact O-N 2.97Å; K343-F392 HydrophobicContact CG-CD1 4Å; K343-F392 HydrophobicContact CG-CE1 3.72Å; K343-F392 HydrophobicContact CG-CZ 4.49Å; K343-F392 WeakPolarHBondContact CG-O 3.23Å
344E81.9Confident82.3Confident123 Ų12391 Ų9158%0.57544%0.438SS*.Hα-helixtrans-64.7-50177.2-73.5-176.1170.500111.8E340 E341 K346 S347 E348E340-E344 PolarHBondContact O-N 2.64Å; E341-E344 PolarHBondContact O-N 3.11Å; E344-K346 VanDerWaalsContact C-N 3.29Å; E344-K346 PolarHBondContact O-N 3.11Å; E344-S347 WeakPolarHBondContact O-CA 3.44Å; E344-S347 WeakPolarHBondContact O-CB 3.25Å; E344-S347 PolarHBondContact O-N 2.99Å; E344-S347 PolarHBondContact O-OG 3.05Å; E344-E348 PolarHBondContact O-N 3.42Å
345R84.2Confident81.5Confident153 Ų15395.9 Ų95.958%0.57745%0.449SS*.Hα-helixtrans-55.9-44177.8-175.8-176.365.6139.9-3.8112.1E341 S347 E348 C349E341-R345 WeakPolarHBondContact O-CB 3.4Å; E341-R345 PolarHBondContact O-N 3.1Å; R345-S347 VanDerWaalsContact C-N 3.31Å; R345-E348 PolarHBondContact O-N 3.18Å; R345-C349 PolarHBondContact O-N 3.45Å
346K80.6Confident80.6Confident43 Ų4393.1 Ų93.119%0.18745%0.454CS..Hα-helixtrans-66.1-34.9176.4-77.6-179.7175.7-174.60111.7E342 E344 L350 D389 F392E342-K346 WeakPolarHBondContact O-CB 3.47Å; E342-K346 WeakPolarHBondContact O-CG 3.48Å; E342-K346 PolarHBondContact O-N 2.8Å; E344-K346 VanDerWaalsContact C-N 3.29Å; E344-K346 PolarHBondContact O-N 3.11Å; K346-L350 VanDerWaalsContact O-CG 3.3Å; K346-L350 WeakPolarHBondContact O-CG 3.37Å; K346-D389 HydrophobicContact CB-CB 4.42Å; K346-D389 IonicContact NZ-OD1 2.92Å; K346-F392 HydrophobicContact CD-CB 4.41Å; K346-F392 HydrophobicContact CD-CD1 3.44Å; K346-F392 VanDerWaalsContact CD-CD1 3.44Å; K346-F392 HydrophobicContact CD-CE1 3.93Å; K346-F392 HydrophobicContact CD-CG 4.1Å
347S78.8Confident79.8Confident54 Ų5493.2 Ų93.238%0.37847%0.466SS..Hα-helixtrans-63.9-41175.685.10000113K343 E344 R345 L350K343-S347 PolarHBondContact O-N 2.97Å; E344-S347 WeakPolarHBondContact O-CA 3.44Å; E344-S347 WeakPolarHBondContact O-CB 3.25Å; E344-S347 PolarHBondContact O-N 2.99Å; E344-S347 PolarHBondContact O-OG 3.05Å; R345-S347 VanDerWaalsContact C-N 3.31Å; S347-L350 WeakPolarHBondContact O-CB 3.47Å; S347-L350 PolarHBondContact O-N 3.48Å
348E79.8Confident79.3Confident162 Ų16288.4 Ų88.476%0.75745%0.452SS*.Hα-helixtrans-71.7-32.3-177.9-69-176.416200112.7E344 R345 L350E344-E348 PolarHBondContact O-N 3.42Å; R345-E348 PolarHBondContact O-N 3.18Å; E348-L350 PolarHBondContact O-N 2.92Å
349C77.3Confident78.7Confident106 Ų10689.8 Ų89.872%0.71646%0.462SS*.THydrogen-bonded Turntrans-790.8178-70.50000114R345R345-C349 PolarHBondContact O-N 3.45Å
350L81Confident78.3Confident29 Ų2992.2 Ų92.215%0.15247%0.473CS..SBendtrans-76.1136.1-178.9-69.3162.8000111.7K346 S347 E348 V386 D389 F390K346-L350 VanDerWaalsContact O-CG 3.3Å; K346-L350 WeakPolarHBondContact O-CG 3.37Å; S347-L350 WeakPolarHBondContact O-CB 3.47Å; S347-L350 PolarHBondContact O-N 3.48Å; E348-L350 PolarHBondContact O-N 2.92Å; L350-V386 HydrophobicContact CD2-CG1 4.1Å; L350-V386 WeakPolarHBondContact CD2-O 3.48Å; L350-D389 HydrophobicContact CD2-CB 4.03Å; L350-F390 HydrophobicContact CD1-CB 4.2Å; L350-F390 HydrophobicContact CD1-CD2 4.21Å; L350-F390 HydrophobicContact CD2-CB 4.03Å
351P79.6Confident78.2Confident35 Ų3588.8 Ų88.823%0.22746%0.459CS..PPolyproline II helixtrans-65.5147.3177.527.4-33.4000111.2R376 V386P351-R376 PolarHBondContact O-NH2 2.63Å; P351-V386 HydrophobicContact CG-CG1 3.61Å
352P78.6Confident78Confident116 Ų11683.8 Ų83.875%0.75344%0.436SS*.PPolyproline II helixtrans-59.6148.1178.525.8-34.3000111.4
353E79.6Confident78.1Confident90 Ų9083.5 Ų83.542%0.42143%0.433SS..PPolyproline II helixtrans-64.3128.5179.7-164.3-174.8-165.700110.4R376 R377E353-R376 HydrophobicContact CG-CG 4.49Å; E353-R377 VanDerWaalsContact CD-NE 3.32Å; E353-R377 VanDerWaalsContact CD-NH2 3.29Å; E353-R377 HydrophobicContact CG-CB 3.86Å; E353-R377 WeakPolarHBondContact OE1-CB 3.05Å; E353-R377 IonicContact OE1-CZ 3.6Å; E353-R377 PolarHBondContact OE1-N 3.39Å; E353-R377 IonicContact OE1-NE 3.7Å; E353-R377 PolarHBondContact OE1-NE 3.12Å; E353-R377 IonicContact OE1-NH2 2.73Å; E353-R377 PolarHBondContact OE1-NH2 3.29Å; E353-R377 IonicContact OE2-CZ 3.96Å; E353-R377 IonicContact OE2-NE 2.89Å; E353-R377 IonicContact OE2-NH2 3.14Å; E353-R377 PolarHBondContact OE2-NH2 3.33Å
354P79.3Confident78.4Confident13 Ų1381.7 Ų81.78%0.08443%0.425CS..PPolyproline II helixtrans-66.5149.9178.626.7-32.6000111.7R377 L379P354-R377 VanDerWaalsContact CD-O 3.27Å; P354-R377 WeakPolarHBondContact CD-O 3.46Å; P354-R377 HydrophobicContact CG-CB 3.91Å; P354-L379 HydrophobicContact CB-CD2 3.65Å; P354-L379 HydrophobicContact CB-CG 3.99Å; P354-L379 HydrophobicContact CG-CD2 4.11Å; P354-L379 HydrophobicContact CG-CG 4.13Å
355R73.3Confident78.6Confident212 Ų21277.1 Ų77.180%0.841%0.406SS*.PPolyproline II helixtrans-66.9151.2179.4-68.2-179.3174.5171.4-1.5110.7D357 D358R355-D357 PolarHBondContact O-N 3.22Å; R355-D358 WeakPolarHBondContact O-CB 3.45Å; R355-D358 PolarHBondContact O-N 2.97Å
356A67.6Low78.9Confident68 Ų6869.9 Ų69.956%0.56238%0.378SS*.THydrogen-bonded Turntrans-59.9-26.7-178.800000114
357D66.8Low79.2Confident156 Ų15670.5 Ų70.583%0.83438%0.381SS*.THydrogen-bonded Turntrans-91.14.6-176-58.5-37.7000113.6R355R355-D357 PolarHBondContact O-N 3.22Å
358D74.4Confident79.5Confident60 Ų6068.1 Ų68.132%0.32136%0.364SS..  trans-78.3121.7178.9-166.3-36.3000110.7R355 E360 S361R355-D358 WeakPolarHBondContact O-CB 3.45Å; R355-D358 PolarHBondContact O-N 2.97Å; D358-E360 PolarHBondContact O-N 2.66Å; D358-E360 VanDerWaalsContact O-N 3.16Å; D358-E360 PolarHBondContact OD1-N 3.38Å; D358-S361 WeakPolarHBondContact O-CB 3.42Å; D358-S361 PolarHBondContact O-N 3.06Å; D358-S361 VanDerWaalsContact O-N 3.13Å; D358-S361 PolarHBondContact O-OG 3.08Å
359P72.8Confident79.6Confident96 Ų9663.4 Ų63.462%0.62335%0.347SS*.THydrogen-bonded Turntrans-63.7-17.9-177.925.7-34.9000114.3
360E75.4Confident79.8Confident91 Ų9162 Ų6243%0.42533%0.332SS..THydrogen-bonded Turntrans-102.814.9178.5-68.7-71.8144.900113.1D358 L379 F380D358-E360 PolarHBondContact O-N 2.66Å; D358-E360 VanDerWaalsContact O-N 3.16Å; D358-E360 PolarHBondContact OD1-N 3.38Å; E360-L379 WeakPolarHBondContact O-CA 3.44Å; E360-F380 WeakPolarHBondContact O-CD2 3.24Å; E360-F380 PolarHBondContact O-N 3.32Å; E360-F380 WeakPolarHBondContact OE2-CB 3.4Å
361S81.3Confident79.7Confident24 Ų2466 Ų6617%0.16836%0.355CS..EExtended strand (participates in β ladder)trans-81.6140.9175.566.30000113.4D358 F378D358-S361 WeakPolarHBondContact O-CB 3.42Å; D358-S361 PolarHBondContact O-N 3.06Å; D358-S361 VanDerWaalsContact O-N 3.13Å; D358-S361 PolarHBondContact O-OG 3.08Å; S361-F378 CarbonylContact C-O 3.59Å; S361-F378 WeakPolarHBondContact CA-O 3.45Å
362V82.2Confident79.9Confident0 Ų066.6 Ų66.60%036%0.357CS..EExtended strand (participates in β ladder)trans-123.1125.9177-177.60000108.8I364 R377 F378 F380 S432V362-I364 HydrophobicContact CG1-CD1 4.28Å; V362-I364 HydrophobicContact CG1-CG1 3.82Å; V362-R377 CarbonylContact O-C 3.53Å; V362-R377 VanDerWaalsContact O-CA 3.22Å; V362-R377 WeakPolarHBondContact O-CA 3.34Å; V362-F378 PolarHBondContact N-O 3.48Å; V362-F378 PolarHBondContact O-N 2.73Å; V362-F380 HydrophobicContact CG2-CD1 3.52Å; V362-F380 HydrophobicContact CG2-CD2 3.52Å; V362-F380 HydrophobicContact CG2-CE1 3.37Å; V362-F380 HydrophobicContact CG2-CE2 3.36Å; V362-F380 HydrophobicContact CG2-CG 3.59Å; V362-F380 HydrophobicContact CG2-CZ 3.3Å; V362-S432 VanDerWaalsContact CG1-O 3.28Å; V362-S432 WeakPolarHBondContact CG1-O 3.29Å
363K84.7Confident80.3Confident85 Ų8570.1 Ų70.137%0.3736%0.356SS..EExtended strand (participates in β ladder)trans-91.1119.3172.8-175.3175.6178.2172.60109.5E375 R377 R433 S434 E435K363-E375 WeakPolarHBondContact CE-OE2 3.32Å; K363-E375 IonicContact NZ-OE1 3.21Å; K363-E375 IonicContact NZ-OE2 3.76Å; K363-E375 PolarHBondContact NZ-OE2 3.28Å; K363-R377 HydrophobicContact CB-CG 4.36Å; K363-R433 PolarHBondContact N-O 3.08Å; K363-S434 VanDerWaalsContact O-CA 3.3Å; K363-S434 WeakPolarHBondContact O-CA 3.46Å; K363-E435 PolarHBondContact O-N 3.35Å; K363-E435 VanDerWaalsContact O-N 3.11Å
364I86.4Confident80.7Confident0 Ų067.2 Ų67.20%034%0.344CS..EExtended strand (participates in β ladder)trans-115.2129.5176.7-55.2-178.2000109.3V362 F366 E375 R376 F378 I387 L426 L431 E435 L437V362-I364 HydrophobicContact CG1-CD1 4.28Å; V362-I364 HydrophobicContact CG1-CG1 3.82Å; I364-F366 HydrophobicContact CB-CE2 4.11Å; I364-F366 HydrophobicContact CB-CZ 3.95Å; I364-F366 HydrophobicContact CG2-CD1 4.13Å; I364-F366 HydrophobicContact CG2-CD2 4.34Å; I364-F366 HydrophobicContact CG2-CE1 3.59Å; I364-F366 HydrophobicContact CG2-CE2 3.81Å; I364-F366 HydrophobicContact CG2-CG 4.48Å; I364-F366 HydrophobicContact CG2-CZ 3.39Å; I364-E375 WeakPolarHBondContact O-CA 3.47Å; I364-R376 PolarHBondContact N-O 3.34Å; I364-R376 PolarHBondContact O-N 2.61Å; I364-R376 VanDerWaalsContact O-N 3.08Å; I364-F378 HydrophobicContact CB-CD2 4.2Å; I364-F378 HydrophobicContact CB-CE2 4.15Å; I364-F378 HydrophobicContact CD1-CD2 3.79Å; I364-F378 HydrophobicContact CD1-CE2 4.24Å; I364-F378 HydrophobicContact CG1-CD2 4.03Å; I364-F378 HydrophobicContact CG1-CE2 4.45Å; I364-I387 HydrophobicContact CD1-CD1 3.98Å; I364-L426 HydrophobicContact CD1-CD2 3.63Å; I364-L431 HydrophobicContact CD1-CD1 4.47Å; I364-E435 WeakPolarHBondContact CA-O 3.34Å; I364-L437 HydrophobicContact CG2-CB 4.34Å; I364-L437 HydrophobicContact CG2-CD1 3.64Å; I364-L437 HydrophobicContact CG2-CG 3.81Å
365V87.7Confident81.1Confident27 Ų2772.3 Ų72.316%0.16437%0.367CS..EExtended strand (participates in β ladder)trans-106.7117.8173.5-177.40000108.3R373 E375 E435 V436 L437V365-R373 HydrophobicContact CG1-CB 4.37Å; V365-E375 HydrophobicContact CG2-CB 4.21Å; V365-E435 PolarHBondContact N-O 3.35Å; V365-V436 HydrophobicContact CB-CG2 4.34Å; V365-V436 CarbonylContact O-C 3.55Å; V365-V436 VanDerWaalsContact O-CA 3.31Å; V365-V436 WeakPolarHBondContact O-CA 3.41Å; V365-L437 PolarHBondContact O-N 3.13Å
366F88.8Confident81.7Confident0 Ų063.7 Ų63.70%033%0.334CS..EExtended strand (participates in β ladder)trans-94.6124.2176.4-56.8-80.4000109.8I364 R373 V374 F378 I387 F390 L391 L437I364-F366 HydrophobicContact CB-CE2 4.11Å; I364-F366 HydrophobicContact CB-CZ 3.95Å; I364-F366 HydrophobicContact CG2-CD1 4.13Å; I364-F366 HydrophobicContact CG2-CD2 4.34Å; I364-F366 HydrophobicContact CG2-CE1 3.59Å; I364-F366 HydrophobicContact CG2-CE2 3.81Å; I364-F366 HydrophobicContact CG2-CG 4.48Å; I364-F366 HydrophobicContact CG2-CZ 3.39Å; F366-R373 VanDerWaalsContact O-CA 3.31Å; F366-R373 WeakPolarHBondContact O-CA 3.44Å; F366-V374 WeakPolarHBondContact CD2-O 3.22Å; F366-V374 PolarHBondContact N-O 2.9Å; F366-V374 PolarHBondContact O-N 3.24Å; F366-F378 AromaticContact CE2-CE2 3.73Å; F366-F378 HydrophobicContact CE2-CE2 3.73Å; F366-F378 HydrophobicContact CE2-CZ 4Å; F366-F378 AromaticContact CZ-CE2 3.79Å; F366-F378 HydrophobicContact CZ-CE2 3.79Å; F366-F378 HydrophobicContact CZ-CZ 4.03Å; F366-I387 HydrophobicContact CE1-CG2 3.35Å; F366-I387 HydrophobicContact CZ-CG2 3.46Å; F366-I387 VanDerWaalsContact CZ-CG2 3.46Å; F366-F390 HydrophobicContact CD2-CD1 4.35Å; F366-F390 AromaticContact CD2-CE1 3.91Å; F366-F390 HydrophobicContact CD2-CE1 3.91Å; F366-F390 AromaticContact CE2-CD1 3.87Å; F366-F390 HydrophobicContact CE2-CD1 3.87Å; F366-F390 AromaticContact CE2-CE1 3.75Å; F366-F390 HydrophobicContact CE2-CE1 3.75Å; F366-F390 HydrophobicContact CZ-CD1 4.47Å; F366-L391 HydrophobicContact CB-CD2 3.9Å; F366-L391 HydrophobicContact CD1-CD1 3.68Å; F366-L391 HydrophobicContact CD1-CD2 3.92Å; F366-L391 HydrophobicContact CD1-CG 4.14Å; F366-L391 HydrophobicContact CD2-CD2 4.12Å; F366-L391 HydrophobicContact CE1-CD1 3.83Å; F366-L391 HydrophobicContact CE1-CD2 4.49Å; F366-L391 HydrophobicContact CE1-CG 4.29Å; F366-L391 HydrophobicContact CG-CD1 4.34Å; F366-L391 HydrophobicContact CG-CD2 3.71Å; F366-L391 HydrophobicContact CG-CG 4.37Å; F366-L437 CarbonylContact C-O 3.54Å; F366-L437 WeakPolarHBondContact CA-O 3.38Å; F366-L437 HydrophobicContact CD1-CB 3.93Å; F366-L437 HydrophobicContact CD1-CD1 4.39Å; F366-L437 HydrophobicContact CE1-CB 4.18Å; F366-L437 HydrophobicContact CE1-CD1 3.79Å; F366-L437 HydrophobicContact CE1-CG 4.5Å
367K87Confident82.6Confident57 Ų5764.2 Ų64.225%0.24832%0.321CS..EExtended strand (participates in β ladder)trans-94116168.2-161.9-171-177.3-153.50108.8D371 L437 F438 V439K367-D371 WeakPolarHBondContact CE-OD1 3.49Å; K367-D371 IonicContact NZ-OD1 3.96Å; K367-D371 PolarHBondContact NZ-OD1 2.88Å; K367-L437 PolarHBondContact N-O 3.33Å; K367-F438 HydrophobicContact CB-CD1 3.84Å; K367-F438 HydrophobicContact CB-CE1 4.06Å; K367-F438 HydrophobicContact CB-CG 4.45Å; K367-F438 HydrophobicContact CD-CD1 3.78Å; K367-F438 HydrophobicContact CD-CE1 3.42Å; K367-F438 VanDerWaalsContact CD-CE1 3.42Å; K367-F438 HydrophobicContact CD-CZ 4.42Å; K367-F438 HydrophobicContact CG-CD1 4.33Å; K367-F438 HydrophobicContact CG-CE1 4.32Å; K367-V439 PolarHBondContact O-N 3.47Å
368L86.3Confident83.5Confident4 Ų456.8 Ų56.82%0.02128%0.282CS..PPolyproline II helixtrans-85.2160-179.6-71.4162.3000111.4N370 D371 T372 V374 E396 T397 V439L368-N370 WeakPolarHBondContact CB-OD1 3.41Å; L368-N370 PolarHBondContact O-N 3.17Å; L368-D371 PolarHBondContact O-N 3.33Å; L368-D371 VanDerWaalsContact O-N 3.08Å; L368-T372 WeakPolarHBondContact CD1-OG1 3.47Å; L368-T372 PolarHBondContact N-O 2.92Å; L368-V374 HydrophobicContact CD1-CG2 3.6Å; L368-E396 HydrophobicContact CD1-CB 4.06Å; L368-T397 HydrophobicContact CD2-CG2 3.29Å; L368-V439 HydrophobicContact CD2-CB 4.17Å; L368-V439 HydrophobicContact CD2-CG1 4.33Å; L368-V439 HydrophobicContact CD2-CG2 4.07Å
369P82.6Confident84Confident62 Ų6256.4 Ų56.440%0.40328%0.279SS..THydrogen-bonded Turntrans-60.8-24.1178.2-22.632.6000114.2D371 P398 V439 D441P369-D371 PolarHBondContact O-N 3.35Å; P369-P398 HydrophobicContact CG-CG 4.22Å; P369-V439 WeakPolarHBondContact CG-O 3.36Å; P369-D441 HydrophobicContact CB-CB 4.33Å; P369-D441 HydrophobicContact CG-CB 4.03Å
370N80.6Confident84.3Confident76 Ų7652.9 Ų52.941%0.40625%0.254SS..THydrogen-bonded Turntrans-82.314.8175.967.1-3.5000113.5L368 T372L368-N370 WeakPolarHBondContact CB-OD1 3.41Å; L368-N370 PolarHBondContact O-N 3.17Å; N370-T372 VanDerWaalsContact CG-OG1 3.29Å; N370-T372 WeakPolarHBondContact ND2-CG2 3.45Å; N370-T372 PolarHBondContact ND2-OG1 3.1Å; N370-T372 PolarHBondContact O-N 3Å; N370-T372 VanDerWaalsContact O-N 3.07Å; N370-T372 WeakPolarHBondContact OD1-CB 3.43Å; N370-T372 WeakPolarHBondContact OD1-CG2 3.4Å; N370-T372 PolarHBondContact OD1-N 3.16Å; N370-T372 PolarHBondContact OD1-OG1 2.88Å
371D77.9Confident84.4Confident115 Ų11551.6 Ų51.662%0.61527%0.265SS*.SBendtrans60.86.3-174.9-88.6-37.6000116K367 L368 P369K367-D371 WeakPolarHBondContact CE-OD1 3.49Å; K367-D371 IonicContact NZ-OD1 3.96Å; K367-D371 PolarHBondContact NZ-OD1 2.88Å; L368-D371 PolarHBondContact O-N 3.33Å; L368-D371 VanDerWaalsContact O-N 3.08Å; P369-D371 PolarHBondContact O-N 3.35Å
372T85.8Confident84.6Confident47 Ų4751.8 Ų51.829%0.28826%0.264SS..  trans-74.7155.1170.967.70000111.1L368 N370 E396L368-T372 WeakPolarHBondContact CD1-OG1 3.47Å; L368-T372 PolarHBondContact N-O 2.92Å; N370-T372 VanDerWaalsContact CG-OG1 3.29Å; N370-T372 WeakPolarHBondContact ND2-CG2 3.45Å; N370-T372 PolarHBondContact ND2-OG1 3.1Å; N370-T372 PolarHBondContact O-N 3Å; N370-T372 VanDerWaalsContact O-N 3.07Å; N370-T372 WeakPolarHBondContact OD1-CB 3.43Å; N370-T372 WeakPolarHBondContact OD1-CG2 3.4Å; N370-T372 PolarHBondContact OD1-N 3.16Å; N370-T372 PolarHBondContact OD1-OG1 2.88Å; T372-E396 PolarHBondContact OG1-OE2 3.22Å
373R86Confident84.7Confident190 Ų19053.3 Ų53.372%0.71727%0.274SS*.EExtended strand (participates in β ladder)trans-122.2121.9179.3-62.7-176.8-173.9-173.81.1109.1V365 F366V365-R373 HydrophobicContact CG1-CB 4.37Å; F366-R373 VanDerWaalsContact O-CA 3.31Å; F366-R373 WeakPolarHBondContact O-CA 3.44Å
374V87.6Confident84.6Confident29 Ų2949.2 Ų49.218%0.17626%0.256CS..EExtended strand (participates in β ladder)trans-112.3129.7176178.60000108F366 L368 F390 L394F366-V374 WeakPolarHBondContact CD2-O 3.22Å; F366-V374 PolarHBondContact N-O 2.9Å; F366-V374 PolarHBondContact O-N 3.24Å; L368-V374 HydrophobicContact CD1-CG2 3.6Å; V374-F390 HydrophobicContact CG1-CE1 3.91Å; V374-F390 HydrophobicContact CG1-CZ 3.59Å; V374-L394 HydrophobicContact CB-CD1 4.34Å; V374-L394 HydrophobicContact CG1-CD1 4.04Å; V374-L394 HydrophobicContact CG2-CD1 4.17Å
375E87.6Confident84.4Confident119 Ų11951.1 Ų51.156%0.55627%0.268SS*.EExtended strand (participates in β ladder)trans-114.1139.7176.859.6175.8-156.600110.7K363 I364 V365K363-E375 WeakPolarHBondContact CE-OE2 3.32Å; K363-E375 IonicContact NZ-OE1 3.21Å; K363-E375 IonicContact NZ-OE2 3.76Å; K363-E375 PolarHBondContact NZ-OE2 3.28Å; I364-E375 WeakPolarHBondContact O-CA 3.47Å; V365-E375 HydrophobicContact CG2-CB 4.21Å
376R86.3Confident84.2Confident32 Ų3251 Ų5112%0.12127%0.267CS..EExtended strand (participates in β ladder)trans-150.1144.3172.7-178.5171.7179.4-177.17110.1P351 E353 I364 F378 F390P351-R376 PolarHBondContact O-NH2 2.63Å; E353-R376 HydrophobicContact CG-CG 4.49Å; I364-R376 PolarHBondContact N-O 3.34Å; I364-R376 PolarHBondContact O-N 2.61Å; I364-R376 VanDerWaalsContact O-N 3.08Å; R376-F378 HydrophobicContact CB-CE2 3.77Å; R376-F378 HydrophobicContact CB-CZ 3.93Å; R376-F378 HydrophobicContact CG-CE1 4.3Å; R376-F378 HydrophobicContact CG-CE2 3.91Å; R376-F378 HydrophobicContact CG-CZ 3.81Å; R376-F378 WeakPolarHBondContact O-CD2 3.43Å; R376-F378 WeakPolarHBondContact O-CE2 3.36Å; R376-F390 HydrophobicContact CB-CD1 4.41Å; R376-F390 HydrophobicContact CB-CE1 3.73Å; R376-F390 HydrophobicContact CB-CE2 4.46Å; R376-F390 HydrophobicContact CB-CZ 3.74Å; R376-F390 HydrophobicContact CG-CE1 4.45Å; R376-F390 HydrophobicContact CG-CZ 4.3Å
377R85.7Confident84Confident78 Ų7851 Ų5129%0.29427%0.267SS..EExtended strand (participates in β ladder)trans-88.6142.7171.3-64.3165.4-74-171.61.9111.4E353 P354 V362 K363E353-R377 VanDerWaalsContact CD-NE 3.32Å; E353-R377 VanDerWaalsContact CD-NH2 3.29Å; E353-R377 HydrophobicContact CG-CB 3.86Å; E353-R377 WeakPolarHBondContact OE1-CB 3.05Å; E353-R377 IonicContact OE1-CZ 3.6Å; E353-R377 PolarHBondContact OE1-N 3.39Å; E353-R377 IonicContact OE1-NE 3.7Å; E353-R377 PolarHBondContact OE1-NE 3.12Å; E353-R377 IonicContact OE1-NH2 2.73Å; E353-R377 PolarHBondContact OE1-NH2 3.29Å; E353-R377 IonicContact OE2-CZ 3.96Å; E353-R377 IonicContact OE2-NE 2.89Å; E353-R377 IonicContact OE2-NH2 3.14Å; E353-R377 PolarHBondContact OE2-NH2 3.33Å; P354-R377 VanDerWaalsContact CD-O 3.27Å; P354-R377 WeakPolarHBondContact CD-O 3.46Å; P354-R377 HydrophobicContact CG-CB 3.91Å; V362-R377 CarbonylContact O-C 3.53Å; V362-R377 VanDerWaalsContact O-CA 3.22Å; V362-R377 WeakPolarHBondContact O-CA 3.34Å; K363-R377 HydrophobicContact CB-CG 4.36Å
378F86.1Confident84Confident0 Ų049 Ų490%026%0.258CS..EExtended strand (participates in β ladder)trans-132.1164.7177-58.7-91.9000109.8S361 V362 I364 F366 R376 V386 I387 F390 L426S361-F378 CarbonylContact C-O 3.59Å; S361-F378 WeakPolarHBondContact CA-O 3.45Å; V362-F378 PolarHBondContact N-O 3.48Å; V362-F378 PolarHBondContact O-N 2.73Å; I364-F378 HydrophobicContact CB-CD2 4.2Å; I364-F378 HydrophobicContact CB-CE2 4.15Å; I364-F378 HydrophobicContact CD1-CD2 3.79Å; I364-F378 HydrophobicContact CD1-CE2 4.24Å; I364-F378 HydrophobicContact CG1-CD2 4.03Å; I364-F378 HydrophobicContact CG1-CE2 4.45Å; F366-F378 AromaticContact CE2-CE2 3.73Å; F366-F378 HydrophobicContact CE2-CE2 3.73Å; F366-F378 HydrophobicContact CE2-CZ 4Å; F366-F378 AromaticContact CZ-CE2 3.79Å; F366-F378 HydrophobicContact CZ-CE2 3.79Å; F366-F378 HydrophobicContact CZ-CZ 4.03Å; R376-F378 HydrophobicContact CB-CE2 3.77Å; R376-F378 HydrophobicContact CB-CZ 3.93Å; R376-F378 HydrophobicContact CG-CE1 4.3Å; R376-F378 HydrophobicContact CG-CE2 3.91Å; R376-F378 HydrophobicContact CG-CZ 3.81Å; R376-F378 WeakPolarHBondContact O-CD2 3.43Å; R376-F378 WeakPolarHBondContact O-CE2 3.36Å; F378-V386 HydrophobicContact CD1-CG1 4.17Å; F378-V386 HydrophobicContact CE1-CG1 4.15Å; F378-I387 HydrophobicContact CD1-CG1 4.34Å; F378-I387 HydrophobicContact CE1-CG1 4.12Å; F378-I387 HydrophobicContact CE2-CG1 4.48Å; F378-I387 HydrophobicContact CZ-CG1 4.19Å; F378-F390 HydrophobicContact CE1-CB 4.46Å; F378-F390 HydrophobicContact CZ-CB 4.4Å; F378-F390 AromaticContact CZ-CD1 3.82Å; F378-F390 HydrophobicContact CZ-CD1 3.82Å; F378-F390 HydrophobicContact CZ-CE1 4.42Å; F378-F390 HydrophobicContact CZ-CG 4.25Å; F378-L426 HydrophobicContact CB-CD1 3.34Å; F378-L426 HydrophobicContact CG-CD1 4.14Å
379L85Confident83.9Confident52 Ų5250.9 Ų50.927%0.27227%0.269SS..EExtended strand (participates in β ladder)trans-94.9141.4174.1-68171.1000110.2P354 E360 G381 Q382 L426P354-L379 HydrophobicContact CB-CD2 3.65Å; P354-L379 HydrophobicContact CB-CG 3.99Å; P354-L379 HydrophobicContact CG-CD2 4.11Å; P354-L379 HydrophobicContact CG-CG 4.13Å; E360-L379 WeakPolarHBondContact O-CA 3.44Å; L379-G381 PolarHBondContact O-N 3.04Å; L379-Q382 HydrophobicContact CB-CG 4.08Å; L379-Q382 WeakPolarHBondContact O-CB 3.02Å; L379-Q382 PolarHBondContact O-N 3.49Å; L379-L426 VanDerWaalsContact O-CD1 3.25Å; L379-L426 WeakPolarHBondContact O-CD1 3.48Å
380F80.4Confident84.1Confident23 Ų2349 Ų4910%0.10125%0.254CS..THydrogen-bonded Turntrans-53.4-28.7177.9-87.2-68.3000114.5E360 V362 K427 L431 R433E360-F380 WeakPolarHBondContact O-CD2 3.24Å; E360-F380 PolarHBondContact O-N 3.32Å; E360-F380 WeakPolarHBondContact OE2-CB 3.4Å; V362-F380 HydrophobicContact CG2-CD1 3.52Å; V362-F380 HydrophobicContact CG2-CD2 3.52Å; V362-F380 HydrophobicContact CG2-CE1 3.37Å; V362-F380 HydrophobicContact CG2-CE2 3.36Å; V362-F380 HydrophobicContact CG2-CG 3.59Å; V362-F380 HydrophobicContact CG2-CZ 3.3Å; F380-K427 HydrophobicContact CB-CB 4.25Å; F380-K427 HydrophobicContact CD1-CB 4.12Å; F380-K427 WeakPolarHBondContact O-CB 3.42Å; F380-K427 PolarHBondContact O-N 3.17Å; F380-K427 VanDerWaalsContact O-N 3.12Å; F380-L431 WeakPolarHBondContact CE1-O 3.18Å; F380-R433 HydrophobicContact CE2-CG 3.95Å; F380-R433 HydrophobicContact CZ-CG 3.8Å
381G77.3Confident84.3Confident63 Ų6345.4 Ų45.465%0.64924%0.235SC*.THydrogen-bonded Turntrans-82.1-3.8177.700000115.7L379L379-G381 PolarHBondContact O-N 3.04Å
382Q83.9Confident84.7Confident29 Ų2940.8 Ų40.814%0.13621%0.209CC..SBendtrans-80.2146.3177.6-73.6170.9-7.400111.4L379 V386 T425 L426L379-Q382 HydrophobicContact CB-CG 4.08Å; L379-Q382 WeakPolarHBondContact O-CB 3.02Å; L379-Q382 PolarHBondContact O-N 3.49Å; Q382-V386 HydrophobicContact CB-CG2 4.47Å; Q382-T425 CarbonylContact O-C 3.58Å; Q382-T425 VanDerWaalsContact O-CA 3.32Å; Q382-T425 WeakPolarHBondContact O-CA 3.27Å; Q382-L426 HydrophobicContact CB-CD1 4.28Å; Q382-L426 PolarHBondContact O-N 3.17Å
383S84.9Confident84.6Confident31 Ų3139.7 Ų39.722%0.21720%0.204CC..BIsolated β-bridgetrans-72.5150.4176-178.90000111.6T385 V386 P423S383-T385 WeakPolarHBondContact CB-OG1 3.25Å; S383-T385 PolarHBondContact O-N 3.05Å; S383-T385 VanDerWaalsContact O-N 3.16Å; S383-T385 PolarHBondContact OG-N 3.44Å; S383-T385 PolarHBondContact OG-OG1 2.93Å; S383-V386 WeakPolarHBondContact O-CB 3.21Å; S383-V386 PolarHBondContact O-N 3.33Å; S383-V386 VanDerWaalsContact O-N 3.08Å; S383-P423 PolarHBondContact OG-O 2.89Å
384L83.1Confident84.6Confident0 Ų032.4 Ų32.40%018%0.179CC..Hα-helixtrans-59.8-18.1172.8-70.5-174.2000113.6V386 I387 H388 L412 C414 P423 P424 L426 A429 L431L384-V386 PolarHBondContact O-N 3.19Å; L384-I387 HydrophobicContact CD2-CD1 3.52Å; L384-I387 WeakPolarHBondContact O-CB 3.21Å; L384-I387 PolarHBondContact O-N 3.42Å; L384-H388 PolarHBondContact O-N 3.49Å; L384-L412 HydrophobicContact CD1-CB 4.28Å; L384-C414 HydrophobicContact CB-CB 4.3Å; L384-P423 HydrophobicContact CB-CB 4.41Å; L384-P424 HydrophobicContact CD1-CG 3.78Å; L384-P424 HydrophobicContact CG-CG 4.45Å; L384-P424 VanDerWaalsContact CG-O 3.27Å; L384-P424 WeakPolarHBondContact CG-O 3.38Å; L384-P424 PolarHBondContact N-O 3.48Å; L384-L426 HydrophobicContact CD2-CD2 3.91Å; L384-L426 HydrophobicContact CD2-CG 4.37Å; L384-A429 HydrophobicContact CD1-CB 3.98Å; L384-A429 HydrophobicContact CD2-CB 4.14Å; L384-A429 HydrophobicContact CG-CB 4.31Å; L384-L431 HydrophobicContact CD2-CD1 4.12Å
385T82.6Confident84.1Confident39 Ų3940.8 Ų40.824%0.23921%0.213CC..Hα-helixtrans-56.3-38.8169.943.80000112.2S383 I387 H388 D389 C414 P423S383-T385 WeakPolarHBondContact CB-OG1 3.25Å; S383-T385 PolarHBondContact O-N 3.05Å; S383-T385 VanDerWaalsContact O-N 3.16Å; S383-T385 PolarHBondContact OG-N 3.44Å; S383-T385 PolarHBondContact OG-OG1 2.93Å; T385-I387 PolarHBondContact O-N 3.19Å; T385-H388 PolarHBondContact O-N 3.1Å; T385-H388 VanDerWaalsContact O-N 3.1Å; T385-D389 WeakPolarHBondContact O-CB 3.29Å; T385-D389 PolarHBondContact O-N 3.19Å; T385-C414 WeakPolarHBondContact CA-O 3.38Å; T385-P423 HydrophobicContact CG2-CG 3.21Å
386V83.3Confident83.7Confident24 Ų2440 Ų4015%0.14521%0.21CC..Hα-helixtrans-63.5-32.4-177.6-179.80000111.3L350 P351 F378 Q382 S383 L384 F390L350-V386 HydrophobicContact CD2-CG1 4.1Å; L350-V386 WeakPolarHBondContact CD2-O 3.48Å; P351-V386 HydrophobicContact CG-CG1 3.61Å; F378-V386 HydrophobicContact CD1-CG1 4.17Å; F378-V386 HydrophobicContact CE1-CG1 4.15Å; Q382-V386 HydrophobicContact CB-CG2 4.47Å; S383-V386 WeakPolarHBondContact O-CB 3.21Å; S383-V386 PolarHBondContact O-N 3.33Å; S383-V386 VanDerWaalsContact O-N 3.08Å; L384-V386 PolarHBondContact O-N 3.19Å; V386-F390 VanDerWaalsContact O-CB 3.24Å; V386-F390 WeakPolarHBondContact O-CB 3.4Å; V386-F390 PolarHBondContact O-N 2.94Å
387I84.5Confident83.4Confident0 Ų038.9 Ų38.90%021%0.206CC..Hα-helixtrans-71.1-44.9175-64.4168.7000110.7I364 F366 F378 L384 T385 F390 L391 I403 L426I364-I387 HydrophobicContact CD1-CD1 3.98Å; F366-I387 HydrophobicContact CE1-CG2 3.35Å; F366-I387 HydrophobicContact CZ-CG2 3.46Å; F366-I387 VanDerWaalsContact CZ-CG2 3.46Å; F378-I387 HydrophobicContact CD1-CG1 4.34Å; F378-I387 HydrophobicContact CE1-CG1 4.12Å; F378-I387 HydrophobicContact CE2-CG1 4.48Å; F378-I387 HydrophobicContact CZ-CG1 4.19Å; L384-I387 HydrophobicContact CD2-CD1 3.52Å; L384-I387 WeakPolarHBondContact O-CB 3.21Å; L384-I387 PolarHBondContact O-N 3.42Å; T385-I387 PolarHBondContact O-N 3.19Å; I387-F390 PolarHBondContact O-N 2.86Å; I387-L391 HydrophobicContact CG2-CD1 4.15Å; I387-L391 WeakPolarHBondContact O-CB 3.24Å; I387-L391 WeakPolarHBondContact O-CG 3.44Å; I387-L391 PolarHBondContact O-N 2.95Å; I387-I403 HydrophobicContact CG2-CD1 4Å; I387-L426 HydrophobicContact CD1-CD2 3.28Å; I387-L426 HydrophobicContact CD1-CG 4.12Å; I387-L426 HydrophobicContact CG1-CD2 4.34Å
388H86.2Confident83.2Confident15 Ų1536 Ų367%0.06920%0.197CC..Hα-helixtrans-63.1-45.3177173.5-81.7000111.4L384 T385 F390 L391 F392 F401 I403 C414 L415L384-H388 PolarHBondContact O-N 3.49Å; T385-H388 PolarHBondContact O-N 3.1Å; T385-H388 VanDerWaalsContact O-N 3.1Å; H388-F390 VanDerWaalsContact C-N 3.32Å; H388-F390 PolarHBondContact O-N 3.48Å; H388-L391 PolarHBondContact O-N 3.4Å; H388-F392 VanDerWaalsContact O-CB 3.26Å; H388-F392 WeakPolarHBondContact O-CB 3.39Å; H388-F392 PolarHBondContact O-N 3.07Å; H388-F401 AromaticContact CD2-CE2 3.83Å; H388-F401 AromaticContact CD2-CZ 3.78Å; H388-F401 AromaticContact NE2-CZ 3.83Å; H388-I403 HydrophobicContact CB-CD1 4.34Å; H388-C414 HydrophobicContact CB-CB 3.69Å; H388-L415 VanDerWaalsContact CE1-CD2 3.46Å; H388-L415 WeakPolarHBondContact CE1-CD2 3.14Å
389D85.3Confident82.8Confident45 Ų4540.2 Ų40.224%0.24122%0.217CC..Hα-helixtrans-66.5-35.6178.7-68.1-24.6000111.8K346 L350 T385 S393K346-D389 HydrophobicContact CB-CB 4.42Å; K346-D389 IonicContact NZ-OD1 2.92Å; L350-D389 HydrophobicContact CD2-CB 4.03Å; T385-D389 WeakPolarHBondContact O-CB 3.29Å; T385-D389 PolarHBondContact O-N 3.19Å; D389-S393 WeakPolarHBondContact O-CB 3.36Å; D389-S393 PolarHBondContact O-N 3.38Å; D389-S393 PolarHBondContact O-OG 3.43Å
390F85.1Confident82.6Confident22 Ų2244 Ų4410%0.09623%0.231CC..Hα-helixtrans-61.5-51.7171.4170.4-118.5000111.3L350 F366 V374 R376 F378 V386 I387 H388 F392 S393 L394L350-F390 HydrophobicContact CD1-CB 4.2Å; L350-F390 HydrophobicContact CD1-CD2 4.21Å; L350-F390 HydrophobicContact CD2-CB 4.03Å; F366-F390 HydrophobicContact CD2-CD1 4.35Å; F366-F390 AromaticContact CD2-CE1 3.91Å; F366-F390 HydrophobicContact CD2-CE1 3.91Å; F366-F390 AromaticContact CE2-CD1 3.87Å; F366-F390 HydrophobicContact CE2-CD1 3.87Å; F366-F390 AromaticContact CE2-CE1 3.75Å; F366-F390 HydrophobicContact CE2-CE1 3.75Å; F366-F390 HydrophobicContact CZ-CD1 4.47Å; V374-F390 HydrophobicContact CG1-CE1 3.91Å; V374-F390 HydrophobicContact CG1-CZ 3.59Å; R376-F390 HydrophobicContact CB-CD1 4.41Å; R376-F390 HydrophobicContact CB-CE1 3.73Å; R376-F390 HydrophobicContact CB-CE2 4.46Å; R376-F390 HydrophobicContact CB-CZ 3.74Å; R376-F390 HydrophobicContact CG-CE1 4.45Å; R376-F390 HydrophobicContact CG-CZ 4.3Å; F378-F390 HydrophobicContact CE1-CB 4.46Å; F378-F390 HydrophobicContact CZ-CB 4.4Å; F378-F390 AromaticContact CZ-CD1 3.82Å; F378-F390 HydrophobicContact CZ-CD1 3.82Å; F378-F390 HydrophobicContact CZ-CE1 4.42Å; F378-F390 HydrophobicContact CZ-CG 4.25Å; V386-F390 VanDerWaalsContact O-CB 3.24Å; V386-F390 WeakPolarHBondContact O-CB 3.4Å; V386-F390 PolarHBondContact O-N 2.94Å; I387-F390 PolarHBondContact O-N 2.86Å; H388-F390 VanDerWaalsContact C-N 3.32Å; H388-F390 PolarHBondContact O-N 3.48Å; F390-F392 PolarHBondContact O-N 3.42Å; F390-S393 PolarHBondContact O-N 3.44Å; F390-S393 PolarHBondContact O-OG 2.9Å; F390-L394 HydrophobicContact CE1-CD1 4.41Å; F390-L394 HydrophobicContact CE2-CD2 4.18Å; F390-L394 HydrophobicContact CZ-CD1 4.38Å; F390-L394 HydrophobicContact CZ-CD2 4.37Å; F390-L394 PolarHBondContact O-N 2.82Å
391L85.6Confident82.8Confident0 Ų043.7 Ų43.70%023%0.23CC..Hα-helixtrans-62.2-43.9178.8-74.2173.3000111.2F366 I387 H388 S393 L394 T397 F401 I403 V439F366-L391 HydrophobicContact CB-CD2 3.9Å; F366-L391 HydrophobicContact CD1-CD1 3.68Å; F366-L391 HydrophobicContact CD1-CD2 3.92Å; F366-L391 HydrophobicContact CD1-CG 4.14Å; F366-L391 HydrophobicContact CD2-CD2 4.12Å; F366-L391 HydrophobicContact CE1-CD1 3.83Å; F366-L391 HydrophobicContact CE1-CD2 4.49Å; F366-L391 HydrophobicContact CE1-CG 4.29Å; F366-L391 HydrophobicContact CG-CD1 4.34Å; F366-L391 HydrophobicContact CG-CD2 3.71Å; F366-L391 HydrophobicContact CG-CG 4.37Å; I387-L391 HydrophobicContact CG2-CD1 4.15Å; I387-L391 WeakPolarHBondContact O-CB 3.24Å; I387-L391 WeakPolarHBondContact O-CG 3.44Å; I387-L391 PolarHBondContact O-N 2.95Å; H388-L391 PolarHBondContact O-N 3.4Å; L391-S393 PolarHBondContact O-N 3.1Å; L391-L394 HydrophobicContact CD2-CD1 3.93Å; L391-L394 WeakPolarHBondContact O-CB 3.3Å; L391-L394 PolarHBondContact O-N 3.35Å; L391-T397 HydrophobicContact CB-CG2 4.15Å; L391-T397 HydrophobicContact CD2-CG2 4.32Å; L391-T397 VanDerWaalsContact O-CB 3.31Å; L391-T397 WeakPolarHBondContact O-CB 3.36Å; L391-T397 WeakPolarHBondContact O-CG2 3.45Å; L391-T397 PolarHBondContact O-OG1 2.93Å; L391-F401 HydrophobicContact CB-CE2 3.69Å; L391-F401 HydrophobicContact CB-CZ 3.64Å; L391-F401 HydrophobicContact CD1-CE2 4.11Å; L391-I403 HydrophobicContact CD1-CD1 3.59Å; L391-I403 HydrophobicContact CD1-CG1 3.67Å; L391-V439 HydrophobicContact CD1-CG2 3.67Å; L391-V439 HydrophobicContact CD2-CG2 4Å; L391-V439 HydrophobicContact CG-CG2 4.44Å
392F85.9Confident83.2Confident18 Ų1843.4 Ų43.48%0.07921%0.212CC..Hα-helixtrans-62-31.8178.5-170.7-87.7000112.8L339 E342 K343 K346 H388 F390 L394 F401L339-F392 HydrophobicContact CD1-CZ 4.46Å; E342-F392 HydrophobicContact CB-CE1 4.4Å; K343-F392 HydrophobicContact CG-CD1 4Å; K343-F392 HydrophobicContact CG-CE1 3.72Å; K343-F392 HydrophobicContact CG-CZ 4.49Å; K343-F392 WeakPolarHBondContact CG-O 3.23Å; K346-F392 HydrophobicContact CD-CB 4.41Å; K346-F392 HydrophobicContact CD-CD1 3.44Å; K346-F392 VanDerWaalsContact CD-CD1 3.44Å; K346-F392 HydrophobicContact CD-CE1 3.93Å; K346-F392 HydrophobicContact CD-CG 4.1Å; H388-F392 VanDerWaalsContact O-CB 3.26Å; H388-F392 WeakPolarHBondContact O-CB 3.39Å; H388-F392 PolarHBondContact O-N 3.07Å; F390-F392 PolarHBondContact O-N 3.42Å; F392-L394 VanDerWaalsContact C-N 3.26Å; F392-L394 PolarHBondContact O-N 3.34Å; F392-F401 HydrophobicContact CB-CE1 4Å; F392-F401 HydrophobicContact CB-CZ 4.03Å; F392-F401 AromaticContact CD2-CE1 3.94Å; F392-F401 HydrophobicContact CD2-CE1 3.94Å; F392-F401 HydrophobicContact CG-CE1 4.45Å
393S85Confident83.4Confident25 Ų2542.2 Ų42.218%0.17521%0.206CC..Hα-helixtrans-71.9-15.3176.373.20000114.5D389 F390 L391D389-S393 WeakPolarHBondContact O-CB 3.36Å; D389-S393 PolarHBondContact O-N 3.38Å; D389-S393 PolarHBondContact O-OG 3.43Å; F390-S393 PolarHBondContact O-N 3.44Å; F390-S393 PolarHBondContact O-OG 2.9Å; L391-S393 PolarHBondContact O-N 3.1Å
394L84.8Confident83.5Confident37 Ų3741.1 Ų41.119%0.19420%0.198CC..SBendtrans-73.9145.7178.4-61.2171.4000110.7V374 F390 L391 F392 E396 T397V374-L394 HydrophobicContact CB-CD1 4.34Å; V374-L394 HydrophobicContact CG1-CD1 4.04Å; V374-L394 HydrophobicContact CG2-CD1 4.17Å; F390-L394 HydrophobicContact CE1-CD1 4.41Å; F390-L394 HydrophobicContact CE2-CD2 4.18Å; F390-L394 HydrophobicContact CZ-CD1 4.38Å; F390-L394 HydrophobicContact CZ-CD2 4.37Å; F390-L394 PolarHBondContact O-N 2.82Å; L391-L394 HydrophobicContact CD2-CD1 3.93Å; L391-L394 WeakPolarHBondContact O-CB 3.3Å; L391-L394 PolarHBondContact O-N 3.35Å; F392-L394 VanDerWaalsContact C-N 3.26Å; F392-L394 PolarHBondContact O-N 3.34Å; L394-E396 PolarHBondContact O-N 3.28Å; L394-T397 HydrophobicContact CB-CG2 4.18Å; L394-T397 HydrophobicContact CD1-CG2 4.36Å; L394-T397 PolarHBondContact O-OG1 3.25Å
395K78.4Confident83.7Confident204 Ų20441.3 Ų41.389%0.88720%0.2SC*.THydrogen-bonded Turntrans-71.5-23.2173.9-66.7-173.6178-174.80112.6
396E78.4Confident83.6Confident104 Ų10443.2 Ų43.249%0.48621%0.208SC..THydrogen-bonded Turntrans-92.7-3.4-172-65.8177.3-171.300113.4L368 T372 L394L368-E396 HydrophobicContact CD1-CB 4.06Å; T372-E396 PolarHBondContact OG1-OE2 3.22Å; L394-E396 PolarHBondContact O-N 3.28Å
397T80.7Confident83.2Confident8 Ų850.6 Ų50.65%0.04924%0.239CC..SBendtrans-89.6142.4174.543.50000111.7L368 L391 L394L368-T397 HydrophobicContact CD2-CG2 3.29Å; L391-T397 HydrophobicContact CB-CG2 4.15Å; L391-T397 HydrophobicContact CD2-CG2 4.32Å; L391-T397 VanDerWaalsContact O-CB 3.31Å; L391-T397 WeakPolarHBondContact O-CB 3.36Å; L391-T397 WeakPolarHBondContact O-CG2 3.45Å; L391-T397 PolarHBondContact O-OG1 2.93Å; L394-T397 HydrophobicContact CB-CG2 4.18Å; L394-T397 HydrophobicContact CD1-CG2 4.36Å; L394-T397 PolarHBondContact O-OG1 3.25Å
398P81.6Confident82.8Confident17 Ų1755.5 Ų55.511%0.1127%0.271CS..  trans-68.4162.7174.920.4-19.1000111.5P369 K400 F401 D441P369-P398 HydrophobicContact CG-CG 4.22Å; P398-K400 VanDerWaalsContact C-N 3.29Å; P398-K400 PolarHBondContact O-N 2.82Å; P398-F401 HydrophobicContact CG-CB 4.03Å; P398-F401 WeakPolarHBondContact O-CD1 3.32Å; P398-D441 HydrophobicContact CB-CB 4.3Å; P398-D441 VanDerWaalsContact CB-OD1 3.24Å; P398-D441 WeakPolarHBondContact CB-OD1 3.49Å; P398-D441 WeakPolarHBondContact CB-OD2 3.4Å; P398-D441 HydrophobicContact CG-CB 3.79Å; P398-D441 VanDerWaalsContact CG-CG 3.42Å
399E75.8Confident82.5Confident89 Ų8963.9 Ų63.942%0.41630%0.302SS..SBendtrans-65.5-34.6-177.2-65.7-175.1177.600112.2L339L339-E399 HydrophobicContact CD2-CG 4.01Å; L339-E399 VanDerWaalsContact CD2-OE1 3.31Å; L339-E399 WeakPolarHBondContact CD2-OE1 3.31Å
400K81.3Confident82.5Confident131 Ų13166.4 Ų66.457%0.5731%0.308SS*.SBendtrans-121.8123.3173.9-64.2179.7-176.3173.20108.9P398 L442P398-K400 VanDerWaalsContact C-N 3.29Å; P398-K400 PolarHBondContact O-N 2.82Å; K400-L442 HydrophobicContact CB-CB 4.04Å; K400-L442 PolarHBondContact O-N 2.88Å
401F85.8Confident82.4Confident16 Ų1669.2 Ų69.27%0.0733%0.326CS..EExtended strand (participates in β ladder)trans-147.8158.9179.865.5-89.6000112.7H388 L391 F392 P398 I403 V439 Q440H388-F401 AromaticContact CD2-CE2 3.83Å; H388-F401 AromaticContact CD2-CZ 3.78Å; H388-F401 AromaticContact NE2-CZ 3.83Å; L391-F401 HydrophobicContact CB-CE2 3.69Å; L391-F401 HydrophobicContact CB-CZ 3.64Å; L391-F401 HydrophobicContact CD1-CE2 4.11Å; F392-F401 HydrophobicContact CB-CE1 4Å; F392-F401 HydrophobicContact CB-CZ 4.03Å; F392-F401 AromaticContact CD2-CE1 3.94Å; F392-F401 HydrophobicContact CD2-CE1 3.94Å; F392-F401 HydrophobicContact CG-CE1 4.45Å; P398-F401 HydrophobicContact CG-CB 4.03Å; P398-F401 WeakPolarHBondContact O-CD1 3.32Å; F401-I403 HydrophobicContact CD2-CG1 4.13Å; F401-I403 HydrophobicContact CE2-CD1 4.12Å; F401-I403 HydrophobicContact CE2-CG1 4.03Å; F401-V439 HydrophobicContact CB-CG1 3.75Å; F401-V439 HydrophobicContact CD2-CG1 3.76Å; F401-V439 HydrophobicContact CG-CG1 3.93Å; F401-Q440 CarbonylContact C-O 3.58Å; F401-Q440 WeakPolarHBondContact CA-O 3.28Å; F401-Q440 WeakPolarHBondContact CB-O 3.21Å
402Q86.1Confident82.2Confident57 Ų5769.5 Ų69.527%0.26633%0.328SS..EExtended strand (participates in β ladder)trans-125.6149.8170.864-177.213.600111.2V404 V411 Q440 L442Q402-V404 HydrophobicContact CG-CG2 4.29Å; Q402-V411 HydrophobicContact CB-CG1 4.37Å; Q402-Q440 HydrophobicContact CG-CB 3.8Å; Q402-Q440 HydrophobicContact CG-CG 4.37Å; Q402-Q440 PolarHBondContact N-O 3.2Å; Q402-Q440 VanDerWaalsContact NE2-CD 3.32Å; Q402-Q440 PolarHBondContact O-N 2.99Å; Q402-L442 HydrophobicContact CB-CD1 3.93Å; Q402-L442 HydrophobicContact CG-CD1 4Å; Q402-L442 HydrophobicContact CG-CD2 4.37Å; Q402-L442 HydrophobicContact CG-CG 4.21Å
403I87.1Confident81.9Confident4 Ų471 Ų712%0.02134%0.34CS..EExtended strand (participates in β ladder)trans-108128.3-176.4-55.2157.9000108.8I387 H388 L391 F401 V411 L412 C414 L437 F438I387-I403 HydrophobicContact CG2-CD1 4Å; H388-I403 HydrophobicContact CB-CD1 4.34Å; L391-I403 HydrophobicContact CD1-CD1 3.59Å; L391-I403 HydrophobicContact CD1-CG1 3.67Å; F401-I403 HydrophobicContact CD2-CG1 4.13Å; F401-I403 HydrophobicContact CE2-CD1 4.12Å; F401-I403 HydrophobicContact CE2-CG1 4.03Å; I403-V411 WeakPolarHBondContact O-CA 3.23Å; I403-L412 HydrophobicContact CG2-CD1 4Å; I403-L412 PolarHBondContact O-N 3.34Å; I403-C414 HydrophobicContact CD1-CB 3.99Å; I403-C414 VanDerWaalsContact CD1-SG 3.57Å; I403-L437 HydrophobicContact CG2-CB 4.06Å; I403-L437 HydrophobicContact CG2-CD1 4.01Å; I403-F438 WeakPolarHBondContact CA-O 3.15Å
404V87.8Confident81.4Confident9 Ų970.1 Ų70.16%0.05533%0.333CS..EExtended strand (participates in β ladder)trans-130.1137.9-171.9-160.60000110.9Q402 R409 R410 V411 F438Q402-V404 HydrophobicContact CG-CG2 4.29Å; V404-R409 HydrophobicContact CG1-CG 3.64Å; V404-R410 WeakPolarHBondContact CA-O 3.4Å; V404-R410 WeakPolarHBondContact CG1-O 3.12Å; V404-V411 HydrophobicContact CG2-CG2 4.38Å; V404-F438 PolarHBondContact N-O 3.38Å; V404-F438 PolarHBondContact O-N 2.87Å
405T85.8Confident80.8Confident4 Ų472.5 Ų72.53%0.02535%0.346CS..EExtended strand (participates in β ladder)trans-81.9160.717258.60000111.7P408 R409 R410 L412 L431 L437T405-P408 PolarHBondContact OG1-O 3.38Å; T405-R409 WeakPolarHBondContact O-CA 3.17Å; T405-R410 HydrophobicContact CG2-CG 4.11Å; T405-R410 PolarHBondContact N-O 3.13Å; T405-R410 WeakPolarHBondContact OG1-CG 3.46Å; T405-R410 PolarHBondContact OG1-N 3.48Å; T405-R410 PolarHBondContact OG1-O 2.94Å; T405-L412 HydrophobicContact CG2-CD1 4.26Å; T405-L412 HydrophobicContact CG2-CD2 3.88Å; T405-L412 HydrophobicContact CG2-CG 4.08Å; T405-L431 HydrophobicContact CG2-CD2 4.2Å; T405-L437 HydrophobicContact CG2-CD2 3.63Å
406N80.3Confident80.4Confident79 Ų7966.6 Ų66.642%0.42233%0.328SS..SBendtrans-82.8-54-179-158.917.6000113.5F438N406-F438 HydrophobicContact CB-CD2 4.46Å; N406-F438 HydrophobicContact CB-CE2 3.86Å
407F75.4Confident79.8Confident178 Ų17865.7 Ų65.778%0.78133%0.33SS*.SBendtrans-147.9115.2-175.6-73-78.5000112.7
408P75.5Confident78.9Confident104 Ų10475.2 Ų75.268%0.67537%0.374SS*.SBendcis-65.2145.7-9.528.8-33.9000111.2T405 R410T405-P408 PolarHBondContact OG1-O 3.38Å; P408-R410 PolarHBondContact O-N 3.11Å
409R80.4Confident77.8Confident191 Ų19183.2 Ų83.272%0.72141%0.41SS*.  trans-72.7113.5178.5-171.9179.4-177.8-172.6-0.9110V404 T405V404-R409 HydrophobicContact CG1-CG 3.64Å; T405-R409 WeakPolarHBondContact O-CA 3.17Å
410R84.7Confident77.1Confident98 Ų9884.5 Ų84.537%0.3742%0.416SS..  trans-140.5147174.657.6178.2174.4171.11.3110.2V404 T405 P408 A429V404-R410 WeakPolarHBondContact CA-O 3.4Å; V404-R410 WeakPolarHBondContact CG1-O 3.12Å; T405-R410 HydrophobicContact CG2-CG 4.11Å; T405-R410 PolarHBondContact N-O 3.13Å; T405-R410 WeakPolarHBondContact OG1-CG 3.46Å; T405-R410 PolarHBondContact OG1-N 3.48Å; T405-R410 PolarHBondContact OG1-O 2.94Å; P408-R410 PolarHBondContact O-N 3.11Å; R410-A429 PolarHBondContact NH1-O 2.9Å; R410-A429 PolarHBondContact NH2-O 3.34Å
411V83.3Confident76.2Confident80 Ų8082.7 Ų82.749%0.48542%0.42SS..BIsolated β-bridgetrans-77129.4170.1-177.30000107.6Q402 I403 V404Q402-V411 HydrophobicContact CB-CG1 4.37Å; I403-V411 WeakPolarHBondContact O-CA 3.23Å; V404-V411 HydrophobicContact CG2-CG2 4.38Å
412L81.3Confident75.4Confident7 Ų788.4 Ų88.44%0.03745%0.451CS..  trans-80.7126.6176.4-67.1-179.2000109.1L384 I403 T405 C414 L437L384-L412 HydrophobicContact CD1-CB 4.28Å; I403-L412 HydrophobicContact CG2-CD1 4Å; I403-L412 PolarHBondContact O-N 3.34Å; T405-L412 HydrophobicContact CG2-CD1 4.26Å; T405-L412 HydrophobicContact CG2-CD2 3.88Å; T405-L412 HydrophobicContact CG2-CG 4.08Å; L412-C414 WeakPolarHBondContact CB-SG 3.3Å; L412-C414 PolarHBondContact O-N 3.44Å; L412-L437 HydrophobicContact CD1-CD1 3.67Å; L412-L437 HydrophobicContact CD1-CD2 3.89Å; L412-L437 HydrophobicContact CD1-CG 4.44Å
413P80.2Confident75.1Confident50 Ų5086.4 Ų86.433%0.32544%0.443SS..  trans-75.778.5175.731.3-33.5000108.9P423 P424P413-P423 WeakPolarHBondContact O-CB 3.26Å; P413-P424 HydrophobicContact CG-CG 4.05Å
414C74Confident74.8Confident6 Ų687.6 Ų87.64%0.04145%0.451CS..  trans-90.1-8.9-177.8-57.30000113.2L384 T385 H388 I403 L412L384-C414 HydrophobicContact CB-CB 4.3Å; T385-C414 WeakPolarHBondContact CA-O 3.38Å; H388-C414 HydrophobicContact CB-CB 3.69Å; I403-C414 HydrophobicContact CD1-CB 3.99Å; I403-C414 VanDerWaalsContact CD1-SG 3.57Å; L412-C414 WeakPolarHBondContact CB-SG 3.3Å; L412-C414 PolarHBondContact O-N 3.44Å
415L73.8Confident74.6Confident87 Ų8788.8 Ų88.846%0.45546%0.458SS..SBendtrans-112.3146.1175.6-75.1170.8000110.3H388 T417H388-L415 VanDerWaalsContact CE1-CD2 3.46Å; H388-L415 WeakPolarHBondContact CE1-CD2 3.14Å; L415-T417 PolarHBondContact O-N 3.27Å; L415-T417 PolarHBondContact O-OG1 2.85Å
416P69.4Low74.4Confident80 Ų8088.6 Ų88.652%0.51946%0.457SS..  trans-58127170-2032000110.3
417T65.6Low74.3Confident84 Ų8491.3 Ų91.352%0.51547%0.465SS..BIsolated β-bridgetrans-118.8157.5176.2-51.80000108.5L415 E419 Q420L415-T417 PolarHBondContact O-N 3.27Å; L415-T417 PolarHBondContact O-OG1 2.85Å; T417-E419 PolarHBondContact O-N 3.16Å; T417-Q420 PolarHBondContact N-O 2.63Å; T417-Q420 VanDerWaalsContact N-O 3.08Å; T417-Q420 CarbonylContact O-C 3.58Å; T417-Q420 PolarHBondContact O-N 3.33Å; T417-Q420 VanDerWaalsContact O-O 3.05Å
418E61.5Low74.5Confident209 Ų20989.6 Ų89.698%0.97746%0.459SS*.THydrogen-bonded Turntrans-54.5-27.2-178.2-65.6-159.4161.700113.8
419E59.1Low74.6Confident184 Ų18485 Ų8586%0.8643%0.43SS*.THydrogen-bonded Turntrans-85.3-23178.4-60.8-178169.200114T417T417-E419 PolarHBondContact O-N 3.16Å
420Q60.6Low74.4Confident116 Ų11678.4 Ų78.454%0.54242%0.422SS..BIsolated β-bridgetrans-144.697.5-178-89.8168.1-11.400110.1T417T417-Q420 PolarHBondContact N-O 2.63Å; T417-Q420 VanDerWaalsContact N-O 3.08Å; T417-Q420 CarbonylContact O-C 3.58Å; T417-Q420 PolarHBondContact O-N 3.33Å; T417-Q420 VanDerWaalsContact O-O 3.05Å
421S62.4Low74.2Confident93 Ų9374.1 Ų74.165%0.6541%0.407SS*.SBendtrans-71.1-30.6-177.456.70000113.7
422N69.6Low73.8Confident137 Ų13773.3 Ų73.373%0.73340%0.404SS*.SBendtrans-112.8114.2175.3-70.4-23.6000109
423P78.8Confident73.6Confident14 Ų1481.4 Ų81.49%0.09143%0.434CS..PPolyproline II helixtrans-68.7145.2178.423.1-25.2000110.4S383 L384 T385 P413S383-P423 PolarHBondContact OG-O 2.89Å; L384-P423 HydrophobicContact CB-CB 4.41Å; T385-P423 HydrophobicContact CG2-CG 3.21Å; P413-P423 WeakPolarHBondContact O-CB 3.26Å
424P81.8Confident73.7Confident30 Ų3083.1 Ų83.120%0.19545%0.447CS..PPolyproline II helixtrans-62.6161.7-170.924.4-32.1000111.7L384 P413 E428L384-P424 HydrophobicContact CD1-CG 3.78Å; L384-P424 HydrophobicContact CG-CG 4.45Å; L384-P424 VanDerWaalsContact CG-O 3.27Å; L384-P424 WeakPolarHBondContact CG-O 3.38Å; L384-P424 PolarHBondContact N-O 3.48Å; P413-P424 HydrophobicContact CG-CG 4.05Å; P424-E428 HydrophobicContact CB-CB 3.92Å
425T84Confident74.1Confident34 Ų3484.3 Ų84.321%0.20945%0.453CS..BIsolated β-bridgetrans-73.4160171.356.60000111.5Q382 K427 E428 A429Q382-T425 CarbonylContact O-C 3.58Å; Q382-T425 VanDerWaalsContact O-CA 3.32Å; Q382-T425 WeakPolarHBondContact O-CA 3.27Å; T425-K427 PolarHBondContact O-N 3.4Å; T425-K427 VanDerWaalsContact O-N 3.14Å; T425-E428 PolarHBondContact N-OE2 2.78Å; T425-E428 PolarHBondContact O-N 3.34Å; T425-E428 VanDerWaalsContact O-N 3.09Å; T425-E428 VanDerWaalsContact OG1-CG 3.23Å; T425-E428 WeakPolarHBondContact OG1-CG 3.49Å; T425-E428 PolarHBondContact OG1-N 2.86Å; T425-E428 PolarHBondContact OG1-OE2 2.97Å; T425-A429 WeakPolarHBondContact O-CB 3.25Å; T425-A429 PolarHBondContact O-N 3.31Å
426L81.5Confident74.7Confident0 Ų083.4 Ų83.40%045%0.451CS..THydrogen-bonded Turntrans-51.6-35.2174-81.8166.6000112.8I364 F378 L379 Q382 L384 I387 L431I364-L426 HydrophobicContact CD1-CD2 3.63Å; F378-L426 HydrophobicContact CB-CD1 3.34Å; F378-L426 HydrophobicContact CG-CD1 4.14Å; L379-L426 VanDerWaalsContact O-CD1 3.25Å; L379-L426 WeakPolarHBondContact O-CD1 3.48Å; Q382-L426 HydrophobicContact CB-CD1 4.28Å; Q382-L426 PolarHBondContact O-N 3.17Å; L384-L426 HydrophobicContact CD2-CD2 3.91Å; L384-L426 HydrophobicContact CD2-CG 4.37Å; I387-L426 HydrophobicContact CD1-CD2 3.28Å; I387-L426 HydrophobicContact CD1-CG 4.12Å; I387-L426 HydrophobicContact CG1-CD2 4.34Å; L426-L431 HydrophobicContact CD2-CD1 3.31Å; L426-L431 PolarHBondContact O-N 2.95Å
427K78.4Confident75.6Confident136 Ų13679.6 Ų79.659%0.59143%0.426SS*.THydrogen-bonded Turntrans-72.1-44.1176.1-169.8172.7-177169.30113.2F380 T425 A429 G430F380-K427 HydrophobicContact CB-CB 4.25Å; F380-K427 HydrophobicContact CD1-CB 4.12Å; F380-K427 WeakPolarHBondContact O-CB 3.42Å; F380-K427 PolarHBondContact O-N 3.17Å; F380-K427 VanDerWaalsContact O-N 3.12Å; T425-K427 PolarHBondContact O-N 3.4Å; T425-K427 VanDerWaalsContact O-N 3.14Å; K427-A429 VanDerWaalsContact C-N 3.3Å; K427-G430 PolarHBondContact O-N 3.47Å
428E79.8Confident76.6Confident141 Ų14178.9 Ų78.966%0.65942%0.416SS*.THydrogen-bonded Turntrans-69.1-31.5177.4-72.3163.2169.500112.2P424 T425 G430P424-E428 HydrophobicContact CB-CB 3.92Å; T425-E428 PolarHBondContact N-OE2 2.78Å; T425-E428 PolarHBondContact O-N 3.34Å; T425-E428 VanDerWaalsContact O-N 3.09Å; T425-E428 VanDerWaalsContact OG1-CG 3.23Å; T425-E428 WeakPolarHBondContact OG1-CG 3.49Å; T425-E428 PolarHBondContact OG1-N 2.86Å; T425-E428 PolarHBondContact OG1-OE2 2.97Å; E428-G430 PolarHBondContact O-N 2.66Å
429A75.9Confident77.8Confident7 Ų769.4 Ų69.46%0.05837%0.372CS..THydrogen-bonded Turntrans-65.1-14.617000000111.7L384 R410 T425 K427 L431L384-A429 HydrophobicContact CD1-CB 3.98Å; L384-A429 HydrophobicContact CD2-CB 4.14Å; L384-A429 HydrophobicContact CG-CB 4.31Å; R410-A429 PolarHBondContact NH1-O 2.9Å; R410-A429 PolarHBondContact NH2-O 3.34Å; T425-A429 WeakPolarHBondContact O-CB 3.25Å; T425-A429 PolarHBondContact O-N 3.31Å; K427-A429 VanDerWaalsContact C-N 3.3Å; A429-L431 VanDerWaalsContact C-N 3.34Å; A429-L431 HydrophobicContact CB-CD1 4.23Å; A429-L431 HydrophobicContact CB-CG 4.18Å
430G76.8Confident79.1Confident54 Ų5464.1 Ų64.156%0.55735%0.347SS*.THydrogen-bonded Turntrans70.530.317800000113.2K427 E428K427-G430 PolarHBondContact O-N 3.47Å; E428-G430 PolarHBondContact O-N 2.66Å
431L79.9Confident80.1Confident8 Ų861.9 Ų61.94%0.04234%0.339CS..  trans-76.6142.3175.5-64.6166.4000110.1I364 F380 L384 T405 L426 A429 E435 L437I364-L431 HydrophobicContact CD1-CD1 4.47Å; F380-L431 WeakPolarHBondContact CE1-O 3.18Å; L384-L431 HydrophobicContact CD2-CD1 4.12Å; T405-L431 HydrophobicContact CG2-CD2 4.2Å; L426-L431 HydrophobicContact CD2-CD1 3.31Å; L426-L431 PolarHBondContact O-N 2.95Å; A429-L431 VanDerWaalsContact C-N 3.34Å; A429-L431 HydrophobicContact CB-CD1 4.23Å; A429-L431 HydrophobicContact CB-CG 4.18Å; L431-E435 WeakPolarHBondContact CA-OE2 3.14Å; L431-E435 HydrophobicContact CD2-CG 4.29Å; L431-E435 VanDerWaalsContact CD2-OE1 3.27Å; L431-E435 WeakPolarHBondContact CD2-OE1 3.46Å; L431-E435 VanDerWaalsContact CD2-OE2 3.28Å; L431-E435 WeakPolarHBondContact CD2-OE2 3.21Å; L431-L437 HydrophobicContact CD2-CD2 4.16Å
432S76.4Confident81Confident62 Ų6259.7 Ų59.743%0.43432%0.32SS..  trans-81.9166.117964.50000111.8V362 S434 E435V362-S432 VanDerWaalsContact CG1-O 3.28Å; V362-S432 WeakPolarHBondContact CG1-O 3.29Å; S432-S434 PolarHBondContact O-N 3.17Å; S432-S434 PolarHBondContact OG-O 2.84Å; S432-E435 PolarHBondContact N-OE2 2.94Å; S432-E435 PolarHBondContact OG-OE2 2.93Å
433R76.8Confident81Confident177 Ų17756 Ų5667%0.66830%0.303SS*.SBendtrans-57.5-21.5-179.3-74.1-176175.3175.1-3.2114.4K363 F380K363-R433 PolarHBondContact N-O 3.08Å; F380-R433 HydrophobicContact CE2-CG 3.95Å; F380-R433 HydrophobicContact CZ-CG 3.8Å
434S80.8Confident79.9Confident86 Ų8663.4 Ų63.460%0.60134%0.341SS*.EExtended strand (participates in β ladder)trans-143.6106.4175.4178.60000109.7K363 S432K363-S434 VanDerWaalsContact O-CA 3.3Å; K363-S434 WeakPolarHBondContact O-CA 3.46Å; S432-S434 PolarHBondContact O-N 3.17Å; S432-S434 PolarHBondContact OG-O 2.84Å
435E83.8Confident78.2Confident32 Ų3270.7 Ų70.715%0.1538%0.379CS..EExtended strand (participates in β ladder)trans-131.5150.1-174.9-161.2157.2161.900113K363 I364 V365 L431 S432 L437K363-E435 PolarHBondContact O-N 3.35Å; K363-E435 VanDerWaalsContact O-N 3.11Å; I364-E435 WeakPolarHBondContact CA-O 3.34Å; V365-E435 PolarHBondContact N-O 3.35Å; L431-E435 WeakPolarHBondContact CA-OE2 3.14Å; L431-E435 HydrophobicContact CD2-CG 4.29Å; L431-E435 VanDerWaalsContact CD2-OE1 3.27Å; L431-E435 WeakPolarHBondContact CD2-OE1 3.46Å; L431-E435 VanDerWaalsContact CD2-OE2 3.28Å; L431-E435 WeakPolarHBondContact CD2-OE2 3.21Å; S432-E435 PolarHBondContact N-OE2 2.94Å; S432-E435 PolarHBondContact OG-OE2 2.93Å; E435-L437 HydrophobicContact CG-CD2 4.49Å
436V86.4Confident78Confident68 Ų6872.6 Ų72.641%0.41239%0.387SS..EExtended strand (participates in β ladder)trans-107.9120.8176.8-175.90000108.9V365 F438V365-V436 HydrophobicContact CB-CG2 4.34Å; V365-V436 CarbonylContact O-C 3.55Å; V365-V436 VanDerWaalsContact O-CA 3.31Å; V365-V436 WeakPolarHBondContact O-CA 3.41Å; V436-F438 HydrophobicContact CG1-CE2 4.09Å; V436-F438 HydrophobicContact CG1-CZ 4.35Å
437L87.9Confident77.8Confident0 Ų076.4 Ų76.40%041%0.407CS..EExtended strand (participates in β ladder)trans-110.6148177.2-61.3-176.9000110.3I364 V365 F366 K367 I403 T405 L412 L431 E435I364-L437 HydrophobicContact CG2-CB 4.34Å; I364-L437 HydrophobicContact CG2-CD1 3.64Å; I364-L437 HydrophobicContact CG2-CG 3.81Å; V365-L437 PolarHBondContact O-N 3.13Å; F366-L437 CarbonylContact C-O 3.54Å; F366-L437 WeakPolarHBondContact CA-O 3.38Å; F366-L437 HydrophobicContact CD1-CB 3.93Å; F366-L437 HydrophobicContact CD1-CD1 4.39Å; F366-L437 HydrophobicContact CE1-CB 4.18Å; F366-L437 HydrophobicContact CE1-CD1 3.79Å; F366-L437 HydrophobicContact CE1-CG 4.5Å; K367-L437 PolarHBondContact N-O 3.33Å; I403-L437 HydrophobicContact CG2-CB 4.06Å; I403-L437 HydrophobicContact CG2-CD1 4.01Å; T405-L437 HydrophobicContact CG2-CD2 3.63Å; L412-L437 HydrophobicContact CD1-CD1 3.67Å; L412-L437 HydrophobicContact CD1-CD2 3.89Å; L412-L437 HydrophobicContact CD1-CG 4.44Å; L431-L437 HydrophobicContact CD2-CD2 4.16Å; E435-L437 HydrophobicContact CG-CD2 4.49Å
438F87.3Confident77.7Confident69 Ų6973.1 Ų73.130%0.30340%0.397SS..EExtended strand (participates in β ladder)trans-112132.8-179.8-67.6-100.1000109.7K367 I403 V404 N406 V436K367-F438 HydrophobicContact CB-CD1 3.84Å; K367-F438 HydrophobicContact CB-CE1 4.06Å; K367-F438 HydrophobicContact CB-CG 4.45Å; K367-F438 HydrophobicContact CD-CD1 3.78Å; K367-F438 HydrophobicContact CD-CE1 3.42Å; K367-F438 VanDerWaalsContact CD-CE1 3.42Å; K367-F438 HydrophobicContact CD-CZ 4.42Å; K367-F438 HydrophobicContact CG-CD1 4.33Å; K367-F438 HydrophobicContact CG-CE1 4.32Å; I403-F438 WeakPolarHBondContact CA-O 3.15Å; V404-F438 PolarHBondContact N-O 3.38Å; V404-F438 PolarHBondContact O-N 2.87Å; N406-F438 HydrophobicContact CB-CD2 4.46Å; N406-F438 HydrophobicContact CB-CE2 3.86Å; V436-F438 HydrophobicContact CG1-CE2 4.09Å; V436-F438 HydrophobicContact CG1-CZ 4.35Å
439V86.7Confident77.6Confident9 Ų969.1 Ų69.16%0.05538%0.382CS..EExtended strand (participates in β ladder)trans-96.7123.6173.2-178.40000107.6K367 L368 P369 L391 F401K367-V439 PolarHBondContact O-N 3.47Å; L368-V439 HydrophobicContact CD2-CB 4.17Å; L368-V439 HydrophobicContact CD2-CG1 4.33Å; L368-V439 HydrophobicContact CD2-CG2 4.07Å; P369-V439 WeakPolarHBondContact CG-O 3.36Å; L391-V439 HydrophobicContact CD1-CG2 3.67Å; L391-V439 HydrophobicContact CD2-CG2 4Å; L391-V439 HydrophobicContact CG-CG2 4.44Å; F401-V439 HydrophobicContact CB-CG1 3.75Å; F401-V439 HydrophobicContact CD2-CG1 3.76Å; F401-V439 HydrophobicContact CG-CG1 3.93Å
440Q84.8Confident77.7Confident74 Ų7472.9 Ų72.935%0.34640%0.402SS..EExtended strand (participates in β ladder)trans-107.5130.3176.6-178.9175.4-1.700109.4F401 Q402F401-Q440 CarbonylContact C-O 3.58Å; F401-Q440 WeakPolarHBondContact CA-O 3.28Å; F401-Q440 WeakPolarHBondContact CB-O 3.21Å; Q402-Q440 HydrophobicContact CG-CB 3.8Å; Q402-Q440 HydrophobicContact CG-CG 4.37Å; Q402-Q440 PolarHBondContact N-O 3.2Å; Q402-Q440 VanDerWaalsContact NE2-CD 3.32Å; Q402-Q440 PolarHBondContact O-N 2.99Å
441D83.4Confident77.8Confident69 Ų6974.2 Ų74.237%0.36939%0.392SS..EExtended strand (participates in β ladder)trans-73.7133.2176.6-161.8-22.1000110.6P369 P398 T443P369-D441 HydrophobicContact CB-CB 4.33Å; P369-D441 HydrophobicContact CG-CB 4.03Å; P398-D441 HydrophobicContact CB-CB 4.3Å; P398-D441 VanDerWaalsContact CB-OD1 3.24Å; P398-D441 WeakPolarHBondContact CB-OD1 3.49Å; P398-D441 WeakPolarHBondContact CB-OD2 3.4Å; P398-D441 HydrophobicContact CG-CB 3.79Å; P398-D441 VanDerWaalsContact CG-CG 3.42Å; D441-T443 VanDerWaalsContact OD1-CB 3.26Å; D441-T443 WeakPolarHBondContact OD1-CB 3.43Å; D441-T443 PolarHBondContact OD1-N 3.34Å; D441-T443 PolarHBondContact OD1-OG1 3.26Å
442L80.4Confident77.6Confident46 Ų4678.9 Ų78.924%0.24142%0.417CS..  trans-121.921.3177.3-63.9176000111.4K400 Q402 D444K400-L442 HydrophobicContact CB-CB 4.04Å; K400-L442 PolarHBondContact O-N 2.88Å; Q402-L442 HydrophobicContact CB-CD1 3.93Å; Q402-L442 HydrophobicContact CG-CD1 4Å; Q402-L442 HydrophobicContact CG-CD2 4.37Å; Q402-L442 HydrophobicContact CG-CG 4.21Å; L442-D444 VanDerWaalsContact C-N 3.32Å
443T69.6Low77.7Confident61 Ų6180.2 Ų80.237%0.37442%0.415SS..SBendtrans-79.3-16.8-176.1-360000112.7D441D441-T443 VanDerWaalsContact OD1-CB 3.26Å; D441-T443 WeakPolarHBondContact OD1-CB 3.43Å; D441-T443 PolarHBondContact OD1-N 3.34Å; D441-T443 PolarHBondContact OD1-OG1 3.26Å
444D56.3Low77.8Confident168 Ų16872.2 Ų72.290%0.89839%0.394SS*.  trans-106-3.4-179.4-76.7-23.3000115L442L442-D444 VanDerWaalsContact C-N 3.32Å
445D46.3Very low77.5Confident184 Ų18470.9 Ų70.998%0.98438%0.376SS*.  trans-102.60167.6-82.1-31.4000109.7

Retrieved 445 of 445 residues in 845.8 ms (Link to these results)

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